data_nef_c34037_5lsd save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5LSD stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 15 CYS SG 1 80 CYS SG 1 58 CYS SG 1 108 CYS SG 1 68 CYS SG 1 110 CYS SG 2 15 CYS SG 2 80 CYS SG 2 58 CYS SG 2 108 CYS SG 2 68 CYS SG 2 110 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 SER start . . 2 A 2 SER middle . . 3 A 3 THR middle . . 4 A 4 HIS middle . . 5 A 5 PRO middle . false 6 A 6 VAL middle . . 7 A 7 PHE middle . . 8 A 8 HIS middle . . 9 A 9 MET middle . . 10 A 10 GLY middle . false 11 A 11 GLU middle . . 12 A 12 PHE middle . . 13 A 13 SER middle . . 14 A 14 VAL middle . . 15 A 15 CYS middle -HG . 16 A 16 ASP middle . . 17 A 17 SER middle . . 18 A 18 VAL middle . . 19 A 19 SER middle . . 20 A 20 VAL middle . . 21 A 21 TRP middle . . 22 A 22 VAL middle . . 23 A 23 GLY middle . false 24 A 24 ASP middle . . 25 A 25 LYS middle . . 26 A 26 THR middle . . 27 A 27 THR middle . . 28 A 28 ALA middle . . 29 A 29 THR middle . . 30 A 30 ASP middle . . 31 A 31 ILE middle . . 32 A 32 LYS middle . . 33 A 33 GLY middle . false 34 A 34 LYS middle . . 35 A 35 GLU middle . . 36 A 36 VAL middle . . 37 A 37 THR middle . . 38 A 38 VAL middle . . 39 A 39 LEU middle . . 40 A 40 ALA middle . . 41 A 41 GLU middle . . 42 A 42 VAL middle . . 43 A 43 ASN middle . . 44 A 44 ILE middle . . 45 A 45 ASN middle . . 46 A 46 ASN middle . . 47 A 47 SER middle . . 48 A 48 VAL middle . . 49 A 49 PHE middle . . 50 A 50 ARG middle . . 51 A 51 GLN middle . . 52 A 52 TYR middle . . 53 A 53 PHE middle . . 54 A 54 PHE middle . . 55 A 55 GLU middle . . 56 A 56 THR middle . . 57 A 57 LYS middle . . 58 A 58 CYS middle -HG . 59 A 59 ARG middle . . 60 A 60 ALA middle . . 61 A 61 SER middle . . 62 A 62 ASN middle . . 63 A 63 PRO middle . false 64 A 64 VAL middle . . 65 A 65 GLU middle . . 66 A 66 SER middle . . 67 A 67 GLY middle . false 68 A 68 CYS middle -HG . 69 A 69 ARG middle . . 70 A 70 GLY middle . false 71 A 71 ILE middle . . 72 A 72 ASP middle . . 73 A 73 SER middle . . 74 A 74 LYS middle . . 75 A 75 HIS middle . . 76 A 76 TRP middle . . 77 A 77 ASN middle . . 78 A 78 SER middle . . 79 A 79 TYR middle . . 80 A 80 CYS middle -HG . 81 A 81 THR middle . . 82 A 82 THR middle . . 83 A 83 THR middle . . 84 A 84 HIS middle . . 85 A 85 THR middle . . 86 A 86 PHE middle . . 87 A 87 VAL middle . . 88 A 88 LYS middle . . 89 A 89 ALA middle . . 90 A 90 LEU middle . . 91 A 91 THR middle . . 92 A 92 THR middle . . 93 A 93 ASP middle . . 94 A 94 GLU middle . . 95 A 95 LYS middle . . 96 A 96 GLN middle . . 97 A 97 ALA middle . . 98 A 98 ALA middle . . 99 A 99 TRP middle . . 100 A 100 ARG middle . . 101 A 101 PHE middle . . 102 A 102 ILE middle . . 103 A 103 ARG middle . . 104 A 104 ILE middle . . 105 A 105 ASP middle . . 106 A 106 THR middle . . 107 A 107 ALA middle . . 108 A 108 CYS middle -HG . 109 A 109 VAL middle . . 110 A 110 CYS middle -HG . 111 A 111 VAL middle . . 112 A 112 LEU middle . . 113 A 113 SER middle . . 114 A 114 ARG middle . . 115 A 115 LYS middle . . 116 A 116 ALA middle . . 117 A 117 THR middle . . 118 A 118 ARG end . . 119 B 1 SER start . . 120 B 2 SER middle . . 121 B 3 THR middle . . 122 B 4 HIS middle . . 123 B 5 PRO middle . false 124 B 6 VAL middle . . 125 B 7 PHE middle . . 126 B 8 HIS middle . . 127 B 9 MET middle . . 128 B 10 GLY middle . false 129 B 11 GLU middle . . 130 B 12 PHE middle . . 131 B 13 SER middle . . 132 B 14 VAL middle . . 133 B 15 CYS middle -HG . 134 B 16 ASP middle . . 135 B 17 SER middle . . 136 B 18 VAL middle . . 137 B 19 SER middle . . 138 B 20 VAL middle . . 139 B 21 TRP middle . . 140 B 22 VAL middle . . 141 B 23 GLY middle . false 142 B 24 ASP middle . . 143 B 25 LYS middle . . 144 B 26 THR middle . . 145 B 27 THR middle . . 146 B 28 ALA middle . . 147 B 29 THR middle . . 148 B 30 ASP middle . . 149 B 31 ILE middle . . 150 B 32 LYS middle . . 151 B 33 GLY middle . false 152 B 34 LYS middle . . 153 B 35 GLU middle . . 154 B 36 VAL middle . . 155 B 37 THR middle . . 156 B 38 VAL middle . . 157 B 39 LEU middle . . 158 B 40 ALA middle . . 159 B 41 GLU middle . . 160 B 42 VAL middle . . 161 B 43 ASN middle . . 162 B 44 ILE middle . . 163 B 45 ASN middle . . 164 B 46 ASN middle . . 165 B 47 SER middle . . 166 B 48 VAL middle . . 167 B 49 PHE middle . . 168 B 50 ARG middle . . 169 B 51 GLN middle . . 170 B 52 TYR middle . . 171 B 53 PHE middle . . 172 B 54 PHE middle . . 173 B 55 GLU middle . . 174 B 56 THR middle . . 175 B 57 LYS middle . . 176 B 58 CYS middle -HG . 177 B 59 ARG middle . . 178 B 60 ALA middle . . 179 B 61 SER middle . . 180 B 62 ASN middle . . 181 B 63 PRO middle . false 182 B 64 VAL middle . . 183 B 65 GLU middle . . 184 B 66 SER middle . . 185 B 67 GLY middle . false 186 B 68 CYS middle -HG . 187 B 69 ARG middle . . 188 B 70 GLY middle . false 189 B 71 ILE middle . . 190 B 72 ASP middle . . 191 B 73 SER middle . . 192 B 74 LYS middle . . 193 B 75 HIS middle . . 194 B 76 TRP middle . . 195 B 77 ASN middle . . 196 B 78 SER middle . . 197 B 79 TYR middle . . 198 B 80 CYS middle -HG . 199 B 81 THR middle . . 200 B 82 THR middle . . 201 B 83 THR middle . . 202 B 84 HIS middle . . 203 B 85 THR middle . . 204 B 86 PHE middle . . 205 B 87 VAL middle . . 206 B 88 LYS middle . . 207 B 89 ALA middle . . 208 B 90 LEU middle . . 209 B 91 THR middle . . 210 B 92 THR middle . . 211 B 93 ASP middle . . 212 B 94 GLU middle . . 213 B 95 LYS middle . . 214 B 96 GLN middle . . 215 B 97 ALA middle . . 216 B 98 ALA middle . . 217 B 99 TRP middle . . 218 B 100 ARG middle . . 219 B 101 PHE middle . . 220 B 102 ILE middle . . 221 B 103 ARG middle . . 222 B 104 ILE middle . . 223 B 105 ASP middle . . 224 B 106 THR middle . . 225 B 107 ALA middle . . 226 B 108 CYS middle -HG . 227 B 109 VAL middle . . 228 B 110 CYS middle -HG . 229 B 111 VAL middle . . 230 B 112 LEU middle . . 231 B 113 SER middle . . 232 B 114 ARG middle . . 233 B 115 LYS middle . . 234 B 116 ALA middle . . 235 B 117 THR middle . . 236 B 118 ARG end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 SER H H 1 8.379 0.020 A 2 SER HA H 1 4.630 0.020 A 2 SER HB3 H 1 3.885 0.020 A 2 SER CA C 13 58.544 0.3 A 2 SER CB C 13 63.908 0.3 A 2 SER N N 15 110.528 0.3 A 3 THR H H 1 7.856 0.020 A 3 THR HA H 1 4.750 0.020 A 3 THR HB H 1 4.395 0.020 A 3 THR HG2% H 1 1.243 0.020 A 3 THR C C 13 175.885 0.3 A 3 THR CA C 13 62.323 0.3 A 3 THR CB C 13 70.082 0.3 A 3 THR CG2 C 13 21.992 0.3 A 3 THR N N 15 120.854 0.3 A 4 HIS H H 1 9.042 0.020 A 4 HIS HA H 1 4.846 0.020 A 4 HIS HBy H 1 3.040 0.020 A 4 HIS HBx H 1 2.932 0.020 A 4 HIS HD2 H 1 6.987 0.020 A 4 HIS HE1 H 1 7.625 0.020 A 4 HIS CA C 13 54.565 0.3 A 4 HIS CB C 13 30.418 0.3 A 4 HIS CD2 C 13 120.289 0.3 A 4 HIS CE1 C 13 138.559 0.3 A 4 HIS N N 15 124.906 0.3 A 5 PRO HA H 1 4.389 0.020 A 5 PRO HBy H 1 2.155 0.020 A 5 PRO HBx H 1 1.685 0.020 A 5 PRO HDx H 1 3.417 0.020 A 5 PRO HDy H 1 3.701 0.020 A 5 PRO HGy H 1 2.011 0.020 A 5 PRO HGx H 1 1.925 0.020 A 5 PRO C C 13 176.412 0.3 A 5 PRO CA C 13 63.266 0.3 A 5 PRO CB C 13 32.129 0.3 A 5 PRO CD C 13 50.679 0.3 A 5 PRO CG C 13 27.391 0.3 A 6 VAL H H 1 8.196 0.020 A 6 VAL HA H 1 4.035 0.020 A 6 VAL HB H 1 1.908 0.020 A 6 VAL HGx% H 1 0.763 0.020 A 6 VAL HGy% H 1 0.853 0.020 A 6 VAL C C 13 175.657 0.3 A 6 VAL CA C 13 62.313 0.3 A 6 VAL CB C 13 33.074 0.3 A 6 VAL CG1 C 13 21.130 0.3 A 6 VAL CG2 C 13 20.710 0.3 A 6 VAL N N 15 119.912 0.3 A 7 PHE H H 1 8.154 0.020 A 7 PHE HA H 1 4.674 0.020 A 7 PHE HBy H 1 3.106 0.020 A 7 PHE HBx H 1 2.921 0.020 A 7 PHE HD1 H 1 7.155 0.020 A 7 PHE HE1 H 1 7.218 0.020 A 7 PHE HZ H 1 6.902 0.020 A 7 PHE C C 13 174.957 0.3 A 7 PHE CA C 13 57.148 0.3 A 7 PHE CB C 13 39.838 0.3 A 7 PHE CD1 C 13 131.578 0.3 A 7 PHE CE1 C 13 129.654 0.3 A 7 PHE CZ C 13 131.264 0.3 A 7 PHE N N 15 123.336 0.3 A 8 HIS H H 1 8.238 0.020 A 8 HIS HA H 1 4.609 0.020 A 8 HIS HBx H 1 3.008 0.020 A 8 HIS HBy H 1 3.128 0.020 A 8 HIS HD2 H 1 6.972 0.020 A 8 HIS HE1 H 1 8.108 0.020 A 8 HIS C C 13 175.022 0.3 A 8 HIS CA C 13 56.342 0.3 A 8 HIS CB C 13 30.972 0.3 A 8 HIS CD2 C 13 120.057 0.3 A 8 HIS CE1 C 13 137.096 0.3 A 8 HIS N N 15 122.658 0.3 A 9 MET H H 1 8.301 0.020 A 9 MET HA H 1 4.471 0.020 A 9 MET HBy H 1 2.124 0.020 A 9 MET HBx H 1 1.996 0.020 A 9 MET HE% H 1 2.082 0.020 A 9 MET HGy H 1 2.554 0.020 A 9 MET HGx H 1 2.487 0.020 A 9 MET C C 13 176.410 0.3 A 9 MET CA C 13 55.986 0.3 A 9 MET CB C 13 32.609 0.3 A 9 MET CE C 13 16.970 0.3 A 9 MET CG C 13 32.121 0.3 A 9 MET N N 15 121.186 0.3 A 10 GLY H H 1 8.466 0.020 A 10 GLY HAy H 1 4.004 0.020 A 10 GLY HAx H 1 3.921 0.020 A 10 GLY C C 13 173.471 0.3 A 10 GLY CA C 13 45.373 0.3 A 10 GLY N N 15 110.525 0.3 A 11 GLU H H 1 8.028 0.020 A 11 GLU HA H 1 4.700 0.020 A 11 GLU HB3 H 1 1.883 0.020 A 11 GLU HGy H 1 2.211 0.020 A 11 GLU HGx H 1 2.113 0.020 A 11 GLU C C 13 176.081 0.3 A 11 GLU CA C 13 56.061 0.3 A 11 GLU CB C 13 29.200 0.3 A 11 GLU CG C 13 37.535 0.3 A 11 GLU N N 15 119.740 0.3 A 12 PHE H H 1 8.537 0.020 A 12 PHE HA H 1 4.750 0.020 A 12 PHE HBy H 1 3.118 0.020 A 12 PHE HBx H 1 2.715 0.020 A 12 PHE HD1 H 1 7.217 0.020 A 12 PHE HE1 H 1 7.254 0.020 A 12 PHE HZ H 1 6.900 0.020 A 12 PHE C C 13 174.339 0.3 A 12 PHE CA C 13 56.145 0.3 A 12 PHE CB C 13 41.952 0.3 A 12 PHE CD1 C 13 132.442 0.3 A 12 PHE CE1 C 13 131.292 0.3 A 12 PHE CZ C 13 128.900 0.3 A 12 PHE N N 15 118.338 0.3 A 13 SER H H 1 8.534 0.020 A 13 SER HA H 1 4.773 0.020 A 13 SER HBx H 1 3.788 0.020 A 13 SER HBy H 1 3.916 0.020 A 13 SER C C 13 174.536 0.3 A 13 SER CA C 13 57.099 0.3 A 13 SER CB C 13 64.712 0.3 A 13 SER N N 15 115.531 0.3 A 14 VAL H H 1 7.216 0.020 A 14 VAL HA H 1 4.047 0.020 A 14 VAL HB H 1 2.150 0.020 A 14 VAL HGx% H 1 1.003 0.020 A 14 VAL HGy% H 1 0.850 0.020 A 14 VAL C C 13 175.421 0.3 A 14 VAL CA C 13 63.630 0.3 A 14 VAL CB C 13 32.353 0.3 A 14 VAL CG1 C 13 22.599 0.3 A 14 VAL CG2 C 13 23.378 0.3 A 14 VAL N N 15 116.479 0.3 A 15 CYS H H 1 7.040 0.020 A 15 CYS HA H 1 4.700 0.020 A 15 CYS HBx H 1 2.665 0.020 A 15 CYS HBy H 1 3.106 0.020 A 15 CYS C C 13 175.208 0.3 A 15 CYS CA C 13 54.507 0.3 A 15 CYS CB C 13 47.589 0.3 A 15 CYS N N 15 114.284 0.3 A 16 ASP H H 1 7.811 0.020 A 16 ASP HA H 1 5.179 0.020 A 16 ASP HBx H 1 2.760 0.020 A 16 ASP HBy H 1 2.870 0.020 A 16 ASP C C 13 175.417 0.3 A 16 ASP CA C 13 57.526 0.3 A 16 ASP CB C 13 42.500 0.3 A 16 ASP N N 15 125.525 0.3 A 17 SER H H 1 8.934 0.020 A 17 SER HA H 1 5.162 0.020 A 17 SER HBx H 1 3.537 0.020 A 17 SER HBy H 1 3.675 0.020 A 17 SER C C 13 172.613 0.3 A 17 SER CA C 13 57.253 0.3 A 17 SER CB C 13 67.008 0.3 A 17 SER N N 15 118.963 0.3 A 18 VAL H H 1 8.661 0.020 A 18 VAL HA H 1 4.449 0.020 A 18 VAL HB H 1 1.833 0.020 A 18 VAL HGx% H 1 0.811 0.020 A 18 VAL HGy% H 1 0.722 0.020 A 18 VAL C C 13 174.123 0.3 A 18 VAL CA C 13 60.888 0.3 A 18 VAL CB C 13 34.884 0.3 A 18 VAL CG1 C 13 20.246 0.3 A 18 VAL CG2 C 13 21.155 0.3 A 18 VAL N N 15 119.594 0.3 A 19 SER H H 1 8.509 0.020 A 19 SER HA H 1 5.404 0.020 A 19 SER HBy H 1 3.249 0.020 A 19 SER HBx H 1 3.121 0.020 A 19 SER C C 13 173.044 0.3 A 19 SER CA C 13 57.542 0.3 A 19 SER CB C 13 65.283 0.3 A 19 SER N N 15 123.331 0.3 A 20 VAL H H 1 8.739 0.020 A 20 VAL HA H 1 4.457 0.020 A 20 VAL HB H 1 2.026 0.020 A 20 VAL HGx% H 1 0.856 0.020 A 20 VAL HGy% H 1 0.830 0.020 A 20 VAL C C 13 173.461 0.3 A 20 VAL CA C 13 59.829 0.3 A 20 VAL CB C 13 36.591 0.3 A 20 VAL CG1 C 13 21.606 0.3 A 20 VAL CG2 C 13 20.276 0.3 A 20 VAL N N 15 121.143 0.3 A 21 TRP H H 1 8.437 0.020 A 21 TRP HA H 1 5.188 0.020 A 21 TRP HBx H 1 3.007 0.020 A 21 TRP HBy H 1 3.159 0.020 A 21 TRP HD1 H 1 7.299 0.020 A 21 TRP HE1 H 1 9.868 0.020 A 21 TRP HE3 H 1 7.220 0.020 A 21 TRP HH2 H 1 5.616 0.020 A 21 TRP HZ2 H 1 6.432 0.020 A 21 TRP HZ3 H 1 6.119 0.020 A 21 TRP C C 13 176.970 0.3 A 21 TRP CA C 13 56.868 0.3 A 21 TRP CB C 13 29.762 0.3 A 21 TRP CD1 C 13 127.326 0.3 A 21 TRP CE3 C 13 119.230 0.3 A 21 TRP CH2 C 13 123.310 0.3 A 21 TRP CZ2 C 13 114.443 0.3 A 21 TRP CZ3 C 13 121.480 0.3 A 21 TRP N N 15 122.418 0.3 A 21 TRP NE1 N 15 129.155 0.3 A 22 VAL H H 1 9.954 0.020 A 22 VAL HA H 1 4.471 0.020 A 22 VAL HB H 1 2.425 0.020 A 22 VAL HGx% H 1 1.111 0.020 A 22 VAL HGy% H 1 1.237 0.020 A 22 VAL C C 13 176.433 0.3 A 22 VAL CA C 13 62.701 0.3 A 22 VAL CB C 13 34.184 0.3 A 22 VAL CG1 C 13 21.497 0.3 A 22 VAL CG2 C 13 22.173 0.3 A 22 VAL N N 15 126.159 0.3 A 23 GLY H H 1 9.107 0.020 A 23 GLY HAy H 1 4.565 0.020 A 23 GLY HAx H 1 3.280 0.020 A 23 GLY C C 13 173.555 0.3 A 23 GLY CA C 13 45.201 0.3 A 23 GLY N N 15 115.860 0.3 A 24 ASP H H 1 8.120 0.020 A 24 ASP HA H 1 4.781 0.020 A 24 ASP HBy H 1 2.998 0.020 A 24 ASP HBx H 1 2.488 0.020 A 24 ASP C C 13 175.789 0.3 A 24 ASP CA C 13 52.125 0.3 A 24 ASP CB C 13 40.536 0.3 A 24 ASP N N 15 120.535 0.3 A 25 LYS H H 1 8.537 0.020 A 25 LYS HA H 1 4.177 0.020 A 25 LYS HBy H 1 1.780 0.020 A 25 LYS HBx H 1 1.703 0.020 A 25 LYS HDy H 1 1.663 0.020 A 25 LYS HDx H 1 1.434 0.020 A 25 LYS HEx H 1 2.450 0.020 A 25 LYS HEy H 1 2.630 0.020 A 25 LYS HGx H 1 1.266 0.020 A 25 LYS HGy H 1 1.373 0.020 A 25 LYS C C 13 176.690 0.3 A 25 LYS CA C 13 57.710 0.3 A 25 LYS CB C 13 33.700 0.3 A 25 LYS CD C 13 28.754 0.3 A 25 LYS CE C 13 39.970 0.3 A 25 LYS CG C 13 24.795 0.3 A 25 LYS N N 15 123.022 0.3 A 26 THR H H 1 8.610 0.020 A 26 THR HA H 1 4.659 0.020 A 26 THR HB H 1 4.161 0.020 A 26 THR HG2% H 1 1.126 0.020 A 26 THR C C 13 175.546 0.3 A 26 THR CA C 13 62.212 0.3 A 26 THR CB C 13 70.152 0.3 A 26 THR CG2 C 13 21.600 0.3 A 26 THR N N 15 116.162 0.3 A 27 THR H H 1 7.877 0.020 A 27 THR HA H 1 5.238 0.020 A 27 THR HB H 1 4.025 0.020 A 27 THR HG2% H 1 1.155 0.020 A 27 THR C C 13 172.459 0.3 A 27 THR CA C 13 60.695 0.3 A 27 THR CB C 13 71.768 0.3 A 27 THR CG2 C 13 21.687 0.3 A 27 THR N N 15 116.492 0.3 A 28 ALA H H 1 8.777 0.020 A 28 ALA HA H 1 4.568 0.020 A 28 ALA HB% H 1 1.109 0.020 A 28 ALA C C 13 174.513 0.3 A 28 ALA CA C 13 50.953 0.3 A 28 ALA CB C 13 23.805 0.3 A 28 ALA N N 15 124.266 0.3 A 29 THR H H 1 8.858 0.020 A 29 THR HA H 1 4.910 0.020 A 29 THR HB H 1 3.725 0.020 A 29 THR HG2% H 1 1.216 0.020 A 29 THR C C 13 174.251 0.3 A 29 THR CA C 13 61.578 0.3 A 29 THR CB C 13 70.355 0.3 A 29 THR CG2 C 13 21.973 0.3 A 29 THR N N 15 116.147 0.3 A 30 ASP H H 1 9.358 0.020 A 30 ASP HA H 1 5.387 0.020 A 30 ASP HBy H 1 3.340 0.020 A 30 ASP HBx H 1 2.500 0.020 A 30 ASP C C 13 179.547 0.3 A 30 ASP CA C 13 52.691 0.3 A 30 ASP CB C 13 42.731 0.3 A 30 ASP N N 15 126.156 0.3 A 31 ILE H H 1 7.713 0.020 A 31 ILE HA H 1 3.847 0.020 A 31 ILE HB H 1 1.353 0.020 A 31 ILE HD1% H 1 0.152 0.020 A 31 ILE HG1x H 1 0.761 0.020 A 31 ILE HG1y H 1 0.794 0.020 A 31 ILE HG2% H 1 0.890 0.020 A 31 ILE C C 13 175.348 0.3 A 31 ILE CA C 13 63.682 0.3 A 31 ILE CB C 13 39.610 0.3 A 31 ILE CD1 C 13 14.450 0.3 A 31 ILE CG1 C 13 29.031 0.3 A 31 ILE CG2 C 13 16.674 0.3 A 31 ILE N N 15 117.420 0.3 A 32 LYS H H 1 7.872 0.020 A 32 LYS HA H 1 4.375 0.020 A 32 LYS HB3 H 1 2.007 0.020 A 32 LYS HD3 H 1 1.646 0.020 A 32 LYS HE3 H 1 2.942 0.020 A 32 LYS HGx H 1 1.342 0.020 A 32 LYS HGy H 1 1.456 0.020 A 32 LYS C C 13 176.834 0.3 A 32 LYS CA C 13 55.684 0.3 A 32 LYS CB C 13 32.136 0.3 A 32 LYS CD C 13 28.989 0.3 A 32 LYS CE C 13 42.255 0.3 A 32 LYS CG C 13 25.646 0.3 A 32 LYS N N 15 121.152 0.3 A 33 GLY H H 1 8.180 0.020 A 33 GLY HAx H 1 3.471 0.020 A 33 GLY HAy H 1 4.246 0.020 A 33 GLY C C 13 173.826 0.3 A 33 GLY CA C 13 45.337 0.3 A 33 GLY N N 15 108.655 0.3 A 34 LYS H H 1 8.679 0.020 A 34 LYS HA H 1 4.422 0.020 A 34 LYS HBy H 1 1.936 0.020 A 34 LYS HBx H 1 1.719 0.020 A 34 LYS HD3 H 1 1.661 0.020 A 34 LYS HEy H 1 2.934 0.020 A 34 LYS HEx H 1 2.820 0.020 A 34 LYS HGx H 1 1.351 0.020 A 34 LYS HGy H 1 1.377 0.020 A 34 LYS C C 13 175.384 0.3 A 34 LYS CA C 13 54.920 0.3 A 34 LYS CB C 13 33.527 0.3 A 34 LYS CD C 13 29.087 0.3 A 34 LYS CE C 13 41.948 0.3 A 34 LYS CG C 13 24.775 0.3 A 34 LYS N N 15 124.277 0.3 A 35 GLU H H 1 8.466 0.020 A 35 GLU HA H 1 4.818 0.020 A 35 GLU HB3 H 1 1.928 0.020 A 35 GLU HGx H 1 2.111 0.020 A 35 GLU HGy H 1 2.207 0.020 A 35 GLU C C 13 176.544 0.3 A 35 GLU CA C 13 56.619 0.3 A 35 GLU CB C 13 30.120 0.3 A 35 GLU CG C 13 37.163 0.3 A 35 GLU N N 15 124.297 0.3 A 36 VAL H H 1 9.147 0.020 A 36 VAL HA H 1 4.830 0.020 A 36 VAL HB H 1 2.087 0.020 A 36 VAL HGx% H 1 0.779 0.020 A 36 VAL HGy% H 1 0.628 0.020 A 36 VAL C C 13 174.264 0.3 A 36 VAL CA C 13 58.986 0.3 A 36 VAL CB C 13 35.753 0.3 A 36 VAL CG1 C 13 22.010 0.3 A 36 VAL CG2 C 13 18.608 0.3 A 36 VAL N N 15 118.977 0.3 A 37 THR H H 1 8.403 0.020 A 37 THR HA H 1 4.770 0.020 A 37 THR HB H 1 4.142 0.020 A 37 THR HG2% H 1 1.120 0.020 A 37 THR C C 13 174.323 0.3 A 37 THR CA C 13 62.260 0.3 A 37 THR CB C 13 69.805 0.3 A 37 THR CG2 C 13 21.707 0.3 A 37 THR N N 15 117.399 0.3 A 38 VAL H H 1 8.326 0.020 A 38 VAL HA H 1 3.823 0.020 A 38 VAL HB H 1 1.818 0.020 A 38 VAL HGx% H 1 0.905 0.020 A 38 VAL HGy% H 1 0.491 0.020 A 38 VAL C C 13 174.973 0.3 A 38 VAL CA C 13 62.156 0.3 A 38 VAL CB C 13 32.421 0.3 A 38 VAL CG1 C 13 22.040 0.3 A 38 VAL CG2 C 13 22.523 0.3 A 38 VAL N N 15 128.028 0.3 A 39 LEU H H 1 7.267 0.020 A 39 LEU HA H 1 4.256 0.020 A 39 LEU HBx H 1 1.118 0.020 A 39 LEU HBy H 1 1.586 0.020 A 39 LEU HDx% H 1 0.714 0.020 A 39 LEU HDy% H 1 0.754 0.020 A 39 LEU HG H 1 1.431 0.020 A 39 LEU C C 13 177.648 0.3 A 39 LEU CA C 13 55.035 0.3 A 39 LEU CB C 13 41.355 0.3 A 39 LEU CD1 C 13 24.793 0.3 A 39 LEU CD2 C 13 23.399 0.3 A 39 LEU CG C 13 28.721 0.3 A 39 LEU N N 15 127.407 0.3 A 40 ALA H H 1 8.512 0.020 A 40 ALA HA H 1 4.285 0.020 A 40 ALA HB% H 1 1.449 0.020 A 40 ALA C C 13 178.154 0.3 A 40 ALA CA C 13 54.957 0.3 A 40 ALA CB C 13 19.414 0.3 A 40 ALA N N 15 124.579 0.3 A 41 GLU H H 1 7.581 0.020 A 41 GLU HA H 1 4.874 0.020 A 41 GLU HBy H 1 1.965 0.020 A 41 GLU HBx H 1 1.709 0.020 A 41 GLU HG3 H 1 1.913 0.020 A 41 GLU C C 13 174.092 0.3 A 41 GLU CA C 13 54.380 0.3 A 41 GLU CB C 13 33.778 0.3 A 41 GLU CG C 13 36.614 0.3 A 41 GLU N N 15 113.348 0.3 A 42 VAL H H 1 8.538 0.020 A 42 VAL HA H 1 3.923 0.020 A 42 VAL HB H 1 1.110 0.020 A 42 VAL HGx% H 1 0.430 0.020 A 42 VAL HGy% H 1 0.600 0.020 A 42 VAL C C 13 173.123 0.3 A 42 VAL CA C 13 60.214 0.3 A 42 VAL CB C 13 33.800 0.3 A 42 VAL CG1 C 13 20.798 0.3 A 42 VAL CG2 C 13 21.850 0.3 A 42 VAL N N 15 119.278 0.3 A 43 ASN H H 1 7.978 0.020 A 43 ASN HA H 1 5.143 0.020 A 43 ASN HBy H 1 2.780 0.020 A 43 ASN HBx H 1 2.475 0.020 A 43 ASN HD21 H 1 7.242 0.020 A 43 ASN HD22 H 1 6.667 0.020 A 43 ASN C C 13 175.066 0.3 A 43 ASN CA C 13 51.986 0.3 A 43 ASN CB C 13 39.713 0.3 A 43 ASN N N 15 123.340 0.3 A 43 ASN ND2 N 15 110.598 0.3 A 44 ILE H H 1 8.583 0.020 A 44 ILE HA H 1 4.344 0.020 A 44 ILE HB H 1 1.758 0.020 A 44 ILE HD1% H 1 0.485 0.020 A 44 ILE HG1x H 1 0.932 0.020 A 44 ILE HG1y H 1 1.300 0.020 A 44 ILE HG2% H 1 0.858 0.020 A 44 ILE C C 13 174.147 0.3 A 44 ILE CA C 13 60.104 0.3 A 44 ILE CB C 13 39.923 0.3 A 44 ILE CD1 C 13 13.255 0.3 A 44 ILE CG1 C 13 27.039 0.3 A 44 ILE CG2 C 13 17.769 0.3 A 44 ILE N N 15 123.976 0.3 A 45 ASN H H 1 8.050 0.020 A 45 ASN HA H 1 4.720 0.020 A 45 ASN HBy H 1 3.101 0.020 A 45 ASN HBx H 1 2.895 0.020 A 45 ASN HD21 H 1 7.661 0.020 A 45 ASN HD22 H 1 7.010 0.020 A 45 ASN C C 13 174.758 0.3 A 45 ASN CA C 13 50.587 0.3 A 45 ASN CB C 13 37.450 0.3 A 45 ASN N N 15 117.111 0.3 A 45 ASN ND2 N 15 112.353 0.3 A 46 ASN H H 1 8.513 0.020 A 46 ASN HA H 1 4.412 0.020 A 46 ASN HB3 H 1 3.066 0.020 A 46 ASN HD21 H 1 7.546 0.020 A 46 ASN HD22 H 1 6.886 0.020 A 46 ASN C C 13 174.552 0.3 A 46 ASN CA C 13 54.945 0.3 A 46 ASN CB C 13 37.744 0.3 A 46 ASN N N 15 111.795 0.3 A 46 ASN ND2 N 15 113.188 0.3 A 47 SER H H 1 7.875 0.020 A 47 SER HA H 1 4.451 0.020 A 47 SER HBy H 1 3.920 0.020 A 47 SER HBx H 1 3.861 0.020 A 47 SER C C 13 172.361 0.3 A 47 SER CA C 13 58.071 0.3 A 47 SER CB C 13 65.059 0.3 A 47 SER N N 15 116.234 0.3 A 48 VAL H H 1 8.278 0.020 A 48 VAL HA H 1 4.943 0.020 A 48 VAL HB H 1 1.794 0.020 A 48 VAL HGx% H 1 0.710 0.020 A 48 VAL HGy% H 1 0.759 0.020 A 48 VAL C C 13 174.028 0.3 A 48 VAL CA C 13 60.936 0.3 A 48 VAL CB C 13 33.838 0.3 A 48 VAL CG1 C 13 20.878 0.3 A 48 VAL CG2 C 13 21.240 0.3 A 48 VAL N N 15 123.340 0.3 A 49 PHE H H 1 8.668 0.020 A 49 PHE HA H 1 4.921 0.020 A 49 PHE HBx H 1 2.931 0.020 A 49 PHE HBy H 1 3.183 0.020 A 49 PHE HD1 H 1 6.960 0.020 A 49 PHE HE1 H 1 6.838 0.020 A 49 PHE HZ H 1 7.592 0.020 A 49 PHE C C 13 176.620 0.3 A 49 PHE CA C 13 55.163 0.3 A 49 PHE CB C 13 41.394 0.3 A 49 PHE CD1 C 13 132.677 0.3 A 49 PHE CE1 C 13 130.761 0.3 A 49 PHE CZ C 13 129.168 0.3 A 49 PHE N N 15 121.675 0.3 A 50 ARG H H 1 8.295 0.020 A 50 ARG HA H 1 4.319 0.020 A 50 ARG HB3 H 1 1.764 0.020 A 50 ARG HDx H 1 3.173 0.020 A 50 ARG HDy H 1 3.231 0.020 A 50 ARG HGx H 1 1.486 0.020 A 50 ARG HGy H 1 1.500 0.020 A 50 ARG C C 13 172.636 0.3 A 50 ARG CA C 13 57.879 0.3 A 50 ARG CB C 13 31.308 0.3 A 50 ARG CD C 13 42.840 0.3 A 50 ARG CG C 13 27.603 0.3 A 50 ARG N N 15 122.254 0.3 A 51 GLN H H 1 8.235 0.020 A 51 GLN HA H 1 4.478 0.020 A 51 GLN HB3 H 1 2.018 0.020 A 51 GLN HE21 H 1 8.518 0.020 A 51 GLN HE22 H 1 7.421 0.020 A 51 GLN HG2 H 1 2.208 0.020 A 51 GLN HG3 H 1 2.208 0.020 A 51 GLN C C 13 176.773 0.3 A 51 GLN CA C 13 55.824 0.3 A 51 GLN CB C 13 30.402 0.3 A 51 GLN CG C 13 33.302 0.3 A 51 GLN N N 15 119.335 0.3 A 51 GLN NE2 N 15 113.212 0.3 A 52 TYR H H 1 9.007 0.020 A 52 TYR HA H 1 4.900 0.020 A 52 TYR HBy H 1 3.269 0.020 A 52 TYR HBx H 1 3.245 0.020 A 52 TYR HD1 H 1 7.027 0.020 A 52 TYR HE1 H 1 6.769 0.020 A 52 TYR C C 13 175.186 0.3 A 52 TYR CA C 13 56.884 0.3 A 52 TYR CB C 13 39.715 0.3 A 52 TYR CD1 C 13 132.924 0.3 A 52 TYR CE1 C 13 118.231 0.3 A 52 TYR N N 15 126.466 0.3 A 53 PHE H H 1 8.813 0.020 A 53 PHE HA H 1 5.292 0.020 A 53 PHE HBx H 1 2.920 0.020 A 53 PHE HBy H 1 3.119 0.020 A 53 PHE HD1 H 1 7.363 0.020 A 53 PHE HE1 H 1 7.117 0.020 A 53 PHE HZ H 1 6.944 0.020 A 53 PHE C C 13 172.996 0.3 A 53 PHE CA C 13 56.627 0.3 A 53 PHE CB C 13 40.245 0.3 A 53 PHE CD1 C 13 132.953 0.3 A 53 PHE CE1 C 13 129.437 0.3 A 53 PHE CZ C 13 131.215 0.3 A 53 PHE N N 15 116.799 0.3 A 54 PHE H H 1 9.060 0.020 A 54 PHE HA H 1 4.509 0.020 A 54 PHE HBx H 1 2.719 0.020 A 54 PHE HBy H 1 2.852 0.020 A 54 PHE HD1 H 1 6.165 0.020 A 54 PHE HE1 H 1 6.890 0.020 A 54 PHE HZ H 1 6.260 0.020 A 54 PHE C C 13 173.843 0.3 A 54 PHE CA C 13 56.733 0.3 A 54 PHE CB C 13 38.892 0.3 A 54 PHE CD1 C 13 131.552 0.3 A 54 PHE CE1 C 13 131.210 0.3 A 54 PHE CZ C 13 131.544 0.3 A 54 PHE N N 15 127.511 0.3 A 55 GLU H H 1 8.497 0.020 A 55 GLU HA H 1 4.899 0.020 A 55 GLU HBy H 1 1.962 0.020 A 55 GLU HBx H 1 1.715 0.020 A 55 GLU HGy H 1 2.332 0.020 A 55 GLU HGx H 1 2.157 0.020 A 55 GLU C C 13 174.838 0.3 A 55 GLU CA C 13 55.278 0.3 A 55 GLU CB C 13 33.707 0.3 A 55 GLU CG C 13 37.714 0.3 A 55 GLU N N 15 127.727 0.3 A 56 THR H H 1 7.678 0.020 A 56 THR HA H 1 4.928 0.020 A 56 THR HB H 1 3.214 0.020 A 56 THR HG2% H 1 0.819 0.020 A 56 THR C C 13 170.853 0.3 A 56 THR CA C 13 61.177 0.3 A 56 THR CB C 13 70.925 0.3 A 56 THR CG2 C 13 21.970 0.3 A 56 THR N N 15 120.838 0.3 A 57 LYS H H 1 8.194 0.020 A 57 LYS HA H 1 4.617 0.020 A 57 LYS HBx H 1 1.623 0.020 A 57 LYS HBy H 1 1.779 0.020 A 57 LYS HDy H 1 1.650 0.020 A 57 LYS HDx H 1 1.602 0.020 A 57 LYS HEy H 1 2.973 0.020 A 57 LYS HEx H 1 2.871 0.020 A 57 LYS HGx H 1 1.168 0.020 A 57 LYS HGy H 1 1.390 0.020 A 57 LYS C C 13 176.399 0.3 A 57 LYS CA C 13 52.848 0.3 A 57 LYS CB C 13 36.598 0.3 A 57 LYS CD C 13 29.149 0.3 A 57 LYS CE C 13 42.461 0.3 A 57 LYS CG C 13 23.652 0.3 A 57 LYS N N 15 118.346 0.3 A 58 CYS H H 1 8.050 0.020 A 58 CYS HA H 1 4.650 0.020 A 58 CYS HBy H 1 2.691 0.020 A 58 CYS HBx H 1 2.611 0.020 A 58 CYS C C 13 175.767 0.3 A 58 CYS CA C 13 54.066 0.3 A 58 CYS CB C 13 41.368 0.3 A 58 CYS N N 15 116.171 0.3 A 59 ARG H H 1 8.309 0.020 A 59 ARG HA H 1 4.004 0.020 A 59 ARG HBx H 1 1.480 0.020 A 59 ARG HBy H 1 1.773 0.020 A 59 ARG HDx H 1 3.151 0.020 A 59 ARG HDy H 1 3.231 0.020 A 59 ARG HGx H 1 1.501 0.020 A 59 ARG HGy H 1 1.765 0.020 A 59 ARG C C 13 173.692 0.3 A 59 ARG CA C 13 58.143 0.3 A 59 ARG CB C 13 31.037 0.3 A 59 ARG CD C 13 43.408 0.3 A 59 ARG CG C 13 27.779 0.3 A 59 ARG N N 15 122.977 0.3 A 60 ALA H H 1 8.409 0.020 A 60 ALA HA H 1 4.746 0.020 A 60 ALA HB% H 1 1.379 0.020 A 60 ALA C C 13 175.219 0.3 A 60 ALA CA C 13 53.201 0.3 A 60 ALA CB C 13 19.548 0.3 A 60 ALA N N 15 122.100 0.3 A 61 SER HA H 1 3.905 0.020 A 61 SER HB3 H 1 3.947 0.020 A 61 SER CA C 13 57.981 0.3 A 61 SER CB C 13 63.619 0.3 A 62 ASN H H 1 7.876 0.020 A 62 ASN HA H 1 5.128 0.020 A 62 ASN HBx H 1 2.754 0.020 A 62 ASN HBy H 1 2.886 0.020 A 62 ASN HD21 H 1 6.852 0.020 A 62 ASN HD22 H 1 7.215 0.020 A 62 ASN CA C 13 50.676 0.3 A 62 ASN CB C 13 38.069 0.3 A 62 ASN N N 15 112.295 0.3 A 62 ASN ND2 N 15 112.064 0.3 A 63 PRO HA H 1 4.236 0.020 A 63 PRO HBx H 1 1.850 0.020 A 63 PRO HBy H 1 2.386 0.020 A 63 PRO HDx H 1 3.352 0.020 A 63 PRO HDy H 1 3.909 0.020 A 63 PRO HGy H 1 2.380 0.020 A 63 PRO HGx H 1 2.301 0.020 A 63 PRO C C 13 177.648 0.3 A 63 PRO CA C 13 64.759 0.3 A 63 PRO CB C 13 31.936 0.3 A 63 PRO CD C 13 51.608 0.3 A 63 PRO CG C 13 27.930 0.3 A 64 VAL H H 1 7.661 0.020 A 64 VAL HA H 1 4.424 0.020 A 64 VAL HB H 1 2.296 0.020 A 64 VAL HGx% H 1 0.907 0.020 A 64 VAL HGy% H 1 0.656 0.020 A 64 VAL C C 13 176.767 0.3 A 64 VAL CA C 13 60.249 0.3 A 64 VAL CB C 13 34.042 0.3 A 64 VAL CG1 C 13 22.219 0.3 A 64 VAL CG2 C 13 19.708 0.3 A 64 VAL N N 15 110.228 0.3 A 65 GLU H H 1 8.546 0.020 A 65 GLU HA H 1 4.068 0.020 A 65 GLU HB3 H 1 2.057 0.020 A 65 GLU HG3 H 1 2.307 0.020 A 65 GLU C C 13 177.695 0.3 A 65 GLU CA C 13 59.371 0.3 A 65 GLU CB C 13 29.605 0.3 A 65 GLU CG C 13 36.378 0.3 A 65 GLU N N 15 120.861 0.3 A 66 SER H H 1 7.722 0.020 A 66 SER HA H 1 4.437 0.020 A 66 SER HBy H 1 4.161 0.020 A 66 SER HBx H 1 3.857 0.020 A 66 SER C C 13 173.993 0.3 A 66 SER CA C 13 58.699 0.3 A 66 SER CB C 13 63.888 0.3 A 66 SER N N 15 109.598 0.3 A 67 GLY H H 1 7.860 0.020 A 67 GLY HAy H 1 3.921 0.020 A 67 GLY HAx H 1 3.743 0.020 A 67 GLY C C 13 172.348 0.3 A 67 GLY CA C 13 45.579 0.3 A 67 GLY N N 15 112.408 0.3 A 68 CYS H H 1 8.490 0.020 A 68 CYS HA H 1 4.175 0.020 A 68 CYS HBx H 1 2.672 0.020 A 68 CYS HBy H 1 3.292 0.020 A 68 CYS C C 13 174.131 0.3 A 68 CYS CA C 13 54.436 0.3 A 68 CYS CB C 13 42.458 0.3 A 68 CYS N N 15 119.417 0.3 A 69 ARG H H 1 8.883 0.020 A 69 ARG HA H 1 3.827 0.020 A 69 ARG HBy H 1 1.818 0.020 A 69 ARG HBx H 1 1.450 0.020 A 69 ARG HDy H 1 3.168 0.020 A 69 ARG HDx H 1 2.902 0.020 A 69 ARG HGy H 1 1.562 0.020 A 69 ARG HGx H 1 1.400 0.020 A 69 ARG C C 13 174.885 0.3 A 69 ARG CA C 13 57.413 0.3 A 69 ARG CB C 13 31.844 0.3 A 69 ARG CD C 13 43.386 0.3 A 69 ARG CG C 13 27.085 0.3 A 69 ARG N N 15 124.603 0.3 A 70 GLY H H 1 8.195 0.020 A 70 GLY HAx H 1 2.829 0.020 A 70 GLY HAy H 1 3.168 0.020 A 70 GLY C C 13 172.954 0.3 A 70 GLY CA C 13 44.738 0.3 A 70 GLY N N 15 106.794 0.3 A 71 ILE H H 1 6.417 0.020 A 71 ILE HA H 1 4.040 0.020 A 71 ILE HB H 1 1.775 0.020 A 71 ILE HD1% H 1 0.353 0.020 A 71 ILE HG1x H 1 1.078 0.020 A 71 ILE HG1y H 1 1.415 0.020 A 71 ILE HG2% H 1 0.700 0.020 A 71 ILE C C 13 177.286 0.3 A 71 ILE CA C 13 57.744 0.3 A 71 ILE CB C 13 36.863 0.3 A 71 ILE CD1 C 13 9.811 0.3 A 71 ILE CG1 C 13 28.455 0.3 A 71 ILE CG2 C 13 18.590 0.3 A 71 ILE N N 15 118.183 0.3 A 72 ASP H H 1 8.955 0.020 A 72 ASP HA H 1 4.927 0.020 A 72 ASP HB3 H 1 2.473 0.020 A 72 ASP C C 13 175.838 0.3 A 72 ASP CA C 13 53.182 0.3 A 72 ASP CB C 13 39.713 0.3 A 72 ASP N N 15 123.964 0.3 A 73 SER H H 1 8.317 0.020 A 73 SER HA H 1 4.852 0.020 A 73 SER HBx H 1 3.929 0.020 A 73 SER HBy H 1 4.227 0.020 A 73 SER C C 13 174.862 0.3 A 73 SER CA C 13 59.641 0.3 A 73 SER CB C 13 63.625 0.3 A 73 SER N N 15 124.899 0.3 A 74 LYS H H 1 7.999 0.020 A 74 LYS HA H 1 4.014 0.020 A 74 LYS HBx H 1 1.448 0.020 A 74 LYS HBy H 1 1.718 0.020 A 74 LYS HDy H 1 1.594 0.020 A 74 LYS HDx H 1 1.448 0.020 A 74 LYS HEy H 1 2.937 0.020 A 74 LYS HEx H 1 2.861 0.020 A 74 LYS HGx H 1 0.985 0.020 A 74 LYS HGy H 1 1.221 0.020 A 74 LYS C C 13 177.471 0.3 A 74 LYS CA C 13 58.456 0.3 A 74 LYS CB C 13 31.936 0.3 A 74 LYS CD C 13 29.131 0.3 A 74 LYS CE C 13 42.210 0.3 A 74 LYS CG C 13 24.797 0.3 A 74 LYS N N 15 120.846 0.3 A 75 HIS H H 1 6.947 0.020 A 75 HIS HA H 1 4.523 0.020 A 75 HIS HBx H 1 2.399 0.020 A 75 HIS HBy H 1 2.489 0.020 A 75 HIS HD2 H 1 6.994 0.020 A 75 HIS HE1 H 1 7.822 0.020 A 75 HIS C C 13 174.601 0.3 A 75 HIS CA C 13 56.890 0.3 A 75 HIS CB C 13 32.627 0.3 A 75 HIS CD2 C 13 121.697 0.3 A 75 HIS CE1 C 13 138.207 0.3 A 75 HIS N N 15 111.803 0.3 A 76 TRP H H 1 7.800 0.020 A 76 TRP HA H 1 5.298 0.020 A 76 TRP HBy H 1 3.285 0.020 A 76 TRP HBx H 1 2.707 0.020 A 76 TRP HD1 H 1 6.798 0.020 A 76 TRP HE1 H 1 10.432 0.020 A 76 TRP HE3 H 1 5.750 0.020 A 76 TRP HH2 H 1 7.591 0.020 A 76 TRP HZ2 H 1 7.313 0.020 A 76 TRP HZ3 H 1 5.898 0.020 A 76 TRP C C 13 177.100 0.3 A 76 TRP CA C 13 56.121 0.3 A 76 TRP CB C 13 32.664 0.3 A 76 TRP CD1 C 13 123.828 0.3 A 76 TRP CE3 C 13 118.420 0.3 A 76 TRP CH2 C 13 120.975 0.3 A 76 TRP CZ2 C 13 114.134 0.3 A 76 TRP CZ3 C 13 116.299 0.3 A 76 TRP N N 15 118.977 0.3 A 76 TRP NE1 N 15 128.324 0.3 A 77 ASN H H 1 9.290 0.020 A 77 ASN HA H 1 5.154 0.020 A 77 ASN HBy H 1 2.904 0.020 A 77 ASN HBx H 1 2.808 0.020 A 77 ASN HD21 H 1 7.516 0.020 A 77 ASN HD22 H 1 7.093 0.020 A 77 ASN C C 13 174.552 0.3 A 77 ASN CA C 13 52.703 0.3 A 77 ASN CB C 13 40.262 0.3 A 77 ASN N N 15 121.796 0.3 A 77 ASN ND2 N 15 114.357 0.3 A 78 SER H H 1 8.771 0.020 A 78 SER HA H 1 5.763 0.020 A 78 SER HBy H 1 4.007 0.020 A 78 SER HBx H 1 3.845 0.020 A 78 SER C C 13 172.033 0.3 A 78 SER CA C 13 58.320 0.3 A 78 SER CB C 13 67.571 0.3 A 78 SER N N 15 113.973 0.3 A 79 TYR H H 1 8.319 0.020 A 79 TYR HA H 1 4.712 0.020 A 79 TYR HBx H 1 2.875 0.020 A 79 TYR HBy H 1 3.341 0.020 A 79 TYR HD1 H 1 6.834 0.020 A 79 TYR HE1 H 1 6.610 0.020 A 79 TYR C C 13 172.493 0.3 A 79 TYR CA C 13 57.222 0.3 A 79 TYR CB C 13 40.011 0.3 A 79 TYR CD1 C 13 133.896 0.3 A 79 TYR CE1 C 13 117.498 0.3 A 79 TYR N N 15 114.283 0.3 A 80 CYS H H 1 9.159 0.020 A 80 CYS HA H 1 5.365 0.020 A 80 CYS HBy H 1 3.303 0.020 A 80 CYS HBx H 1 3.070 0.020 A 80 CYS C C 13 174.468 0.3 A 80 CYS CA C 13 54.749 0.3 A 80 CYS CB C 13 43.524 0.3 A 80 CYS N N 15 119.506 0.3 A 81 THR H H 1 9.525 0.020 A 81 THR HA H 1 4.773 0.020 A 81 THR HB H 1 4.009 0.020 A 81 THR HG2% H 1 0.997 0.020 A 81 THR C C 13 171.902 0.3 A 81 THR CA C 13 60.503 0.3 A 81 THR CB C 13 71.318 0.3 A 81 THR CG2 C 13 21.373 0.3 A 81 THR N N 15 119.907 0.3 A 82 THR H H 1 7.918 0.020 A 82 THR HA H 1 5.389 0.020 A 82 THR HB H 1 4.153 0.020 A 82 THR HG2% H 1 1.396 0.020 A 82 THR C C 13 175.896 0.3 A 82 THR CA C 13 61.816 0.3 A 82 THR CB C 13 70.602 0.3 A 82 THR CG2 C 13 23.479 0.3 A 82 THR N N 15 120.867 0.3 A 83 THR H H 1 8.395 0.020 A 83 THR HA H 1 4.642 0.020 A 83 THR HB H 1 4.087 0.020 A 83 THR HG2% H 1 0.982 0.020 A 83 THR C C 13 173.633 0.3 A 83 THR CA C 13 60.166 0.3 A 83 THR CB C 13 70.159 0.3 A 83 THR CG2 C 13 22.176 0.3 A 83 THR N N 15 117.194 0.3 A 84 HIS H H 1 7.616 0.020 A 84 HIS HA H 1 5.669 0.020 A 84 HIS HBx H 1 2.792 0.020 A 84 HIS HBy H 1 2.977 0.020 A 84 HIS HD2 H 1 5.961 0.020 A 84 HIS HE1 H 1 7.900 0.020 A 84 HIS C C 13 175.069 0.3 A 84 HIS CA C 13 55.826 0.3 A 84 HIS CB C 13 34.658 0.3 A 84 HIS CD2 C 13 120.327 0.3 A 84 HIS CE1 C 13 138.044 0.3 A 84 HIS N N 15 116.791 0.3 A 85 THR H H 1 8.777 0.020 A 85 THR HA H 1 4.487 0.020 A 85 THR HB H 1 4.063 0.020 A 85 THR HG1 H 1 6.542 0.020 A 85 THR HG2% H 1 1.233 0.020 A 85 THR C C 13 171.936 0.3 A 85 THR CA C 13 58.773 0.3 A 85 THR CB C 13 70.342 0.3 A 85 THR CG2 C 13 19.760 0.3 A 85 THR N N 15 114.317 0.3 A 86 PHE H H 1 7.669 0.020 A 86 PHE HA H 1 5.912 0.020 A 86 PHE HBy H 1 2.909 0.020 A 86 PHE HBx H 1 2.440 0.020 A 86 PHE HD1 H 1 6.012 0.020 A 86 PHE HE1 H 1 6.880 0.020 A 86 PHE HZ H 1 7.310 0.020 A 86 PHE C C 13 175.201 0.3 A 86 PHE CA C 13 56.300 0.3 A 86 PHE CB C 13 43.384 0.3 A 86 PHE CD1 C 13 131.546 0.3 A 86 PHE CE1 C 13 130.014 0.3 A 86 PHE CZ C 13 131.074 0.3 A 86 PHE N N 15 118.129 0.3 A 87 VAL H H 1 9.317 0.020 A 87 VAL HA H 1 5.131 0.020 A 87 VAL HB H 1 2.515 0.020 A 87 VAL HGx% H 1 1.464 0.020 A 87 VAL HGy% H 1 1.274 0.020 A 87 VAL C C 13 174.504 0.3 A 87 VAL CA C 13 59.853 0.3 A 87 VAL CB C 13 36.047 0.3 A 87 VAL CG1 C 13 22.593 0.3 A 87 VAL CG2 C 13 21.132 0.3 A 87 VAL N N 15 117.623 0.3 A 88 LYS H H 1 9.110 0.020 A 88 LYS HA H 1 4.280 0.020 A 88 LYS HB3 H 1 1.425 0.020 A 88 LYS HD3 H 1 1.660 0.020 A 88 LYS HE3 H 1 2.938 0.020 A 88 LYS HG3 H 1 1.395 0.020 A 88 LYS C C 13 174.170 0.3 A 88 LYS CA C 13 56.900 0.3 A 88 LYS CB C 13 32.919 0.3 A 88 LYS CD C 13 28.979 0.3 A 88 LYS CE C 13 41.905 0.3 A 88 LYS CG C 13 23.632 0.3 A 88 LYS N N 15 127.686 0.3 A 89 ALA H H 1 8.310 0.020 A 89 ALA HA H 1 4.288 0.020 A 89 ALA HB% H 1 1.257 0.020 A 89 ALA C C 13 177.281 0.3 A 89 ALA CA C 13 52.372 0.3 A 89 ALA CB C 13 19.236 0.3 A 89 ALA N N 15 126.160 0.3 A 90 LEU H H 1 8.211 0.020 A 90 LEU HA H 1 4.792 0.020 A 90 LEU HBx H 1 1.683 0.020 A 90 LEU HBy H 1 1.918 0.020 A 90 LEU HDx% H 1 0.651 0.020 A 90 LEU HDy% H 1 0.066 0.020 A 90 LEU HG H 1 1.075 0.020 A 90 LEU C C 13 177.111 0.3 A 90 LEU CA C 13 54.354 0.3 A 90 LEU CB C 13 41.495 0.3 A 90 LEU CD1 C 13 26.736 0.3 A 90 LEU CD2 C 13 21.123 0.3 A 90 LEU CG C 13 27.341 0.3 A 90 LEU N N 15 123.079 0.3 A 91 THR H H 1 8.459 0.020 A 91 THR HA H 1 5.403 0.020 A 91 THR HB H 1 4.114 0.020 A 91 THR HG2% H 1 1.013 0.020 A 91 THR CA C 13 59.399 0.3 A 91 THR CB C 13 75.396 0.3 A 91 THR CG2 C 13 21.754 0.3 A 92 THR H H 1 9.071 0.020 A 92 THR HA H 1 4.938 0.020 A 92 THR HB H 1 3.901 0.020 A 92 THR HG2% H 1 1.049 0.020 A 92 THR C C 13 172.258 0.3 A 92 THR CA C 13 60.987 0.3 A 92 THR CB C 13 70.643 0.3 A 92 THR CG2 C 13 21.321 0.3 A 92 THR N N 15 111.790 0.3 A 93 ASP H H 1 7.658 0.020 A 93 ASP HA H 1 5.017 0.020 A 93 ASP HB3 H 1 2.510 0.020 A 93 ASP C C 13 176.260 0.3 A 93 ASP CA C 13 53.069 0.3 A 93 ASP CB C 13 41.716 0.3 A 93 ASP N N 15 125.210 0.3 A 94 GLU H H 1 8.997 0.020 A 94 GLU HA H 1 3.986 0.020 A 94 GLU HB3 H 1 2.154 0.020 A 94 GLU HGx H 1 2.222 0.020 A 94 GLU HGy H 1 2.323 0.020 A 94 GLU C C 13 175.926 0.3 A 94 GLU CA C 13 58.721 0.3 A 94 GLU CB C 13 28.221 0.3 A 94 GLU CG C 13 36.347 0.3 A 94 GLU N N 15 119.292 0.3 A 95 LYS H H 1 8.468 0.020 A 95 LYS HA H 1 4.268 0.020 A 95 LYS HBx H 1 1.718 0.020 A 95 LYS HBy H 1 1.911 0.020 A 95 LYS HD3 H 1 1.667 0.020 A 95 LYS HEy H 1 2.940 0.020 A 95 LYS HEx H 1 2.864 0.020 A 95 LYS HG3 H 1 1.356 0.020 A 95 LYS C C 13 176.814 0.3 A 95 LYS CA C 13 57.578 0.3 A 95 LYS CB C 13 33.468 0.3 A 95 LYS CD C 13 28.991 0.3 A 95 LYS CE C 13 42.035 0.3 A 95 LYS CG C 13 24.783 0.3 A 95 LYS N N 15 117.081 0.3 A 96 GLN H H 1 8.633 0.020 A 96 GLN HA H 1 4.609 0.020 A 96 GLN HBy H 1 2.064 0.020 A 96 GLN HBx H 1 2.014 0.020 A 96 GLN HE21 H 1 7.558 0.020 A 96 GLN HE22 H 1 6.850 0.020 A 96 GLN HG3 H 1 2.268 0.020 A 96 GLN C C 13 175.045 0.3 A 96 GLN CA C 13 55.211 0.3 A 96 GLN CB C 13 31.005 0.3 A 96 GLN CG C 13 33.315 0.3 A 96 GLN N N 15 118.660 0.3 A 96 GLN NE2 N 15 112.169 0.3 A 97 ALA H H 1 8.751 0.020 A 97 ALA HA H 1 4.574 0.020 A 97 ALA HB% H 1 1.259 0.020 A 97 ALA C C 13 177.134 0.3 A 97 ALA CA C 13 51.268 0.3 A 97 ALA CB C 13 18.723 0.3 A 97 ALA N N 15 130.225 0.3 A 98 ALA H H 1 9.053 0.020 A 98 ALA HA H 1 5.199 0.020 A 98 ALA HB% H 1 1.269 0.020 A 98 ALA C C 13 177.198 0.3 A 98 ALA CA C 13 51.548 0.3 A 98 ALA CB C 13 22.091 0.3 A 98 ALA N N 15 123.339 0.3 A 99 TRP H H 1 8.301 0.020 A 99 TRP HA H 1 4.673 0.020 A 99 TRP HBy H 1 3.054 0.020 A 99 TRP HBx H 1 2.965 0.020 A 99 TRP HD1 H 1 7.109 0.020 A 99 TRP HE1 H 1 10.140 0.020 A 99 TRP HE3 H 1 7.200 0.020 A 99 TRP HH2 H 1 7.564 0.020 A 99 TRP HZ2 H 1 7.144 0.020 A 99 TRP HZ3 H 1 6.794 0.020 A 99 TRP C C 13 176.862 0.3 A 99 TRP CA C 13 57.729 0.3 A 99 TRP CB C 13 30.654 0.3 A 99 TRP CD1 C 13 127.555 0.3 A 99 TRP CE3 C 13 124.700 0.3 A 99 TRP CH2 C 13 120.950 0.3 A 99 TRP CZ2 C 13 113.945 0.3 A 99 TRP CZ3 C 13 124.721 0.3 A 99 TRP N N 15 117.414 0.3 A 99 TRP NE1 N 15 129.602 0.3 A 100 ARG H H 1 7.806 0.020 A 100 ARG HA H 1 4.090 0.020 A 100 ARG HBy H 1 1.743 0.020 A 100 ARG HBx H 1 1.556 0.020 A 100 ARG HDy H 1 2.880 0.020 A 100 ARG HDx H 1 2.748 0.020 A 100 ARG HGy H 1 1.498 0.020 A 100 ARG HGx H 1 1.410 0.020 A 100 ARG C C 13 175.528 0.3 A 100 ARG CA C 13 56.884 0.3 A 100 ARG CB C 13 30.726 0.3 A 100 ARG CD C 13 42.828 0.3 A 100 ARG CG C 13 27.090 0.3 A 100 ARG N N 15 124.895 0.3 A 101 PHE H H 1 9.245 0.020 A 101 PHE HA H 1 4.919 0.020 A 101 PHE HBx H 1 2.815 0.020 A 101 PHE HBy H 1 2.886 0.020 A 101 PHE HD1 H 1 7.214 0.020 A 101 PHE HE1 H 1 7.308 0.020 A 101 PHE HZ H 1 7.163 0.020 A 101 PHE C C 13 175.719 0.3 A 101 PHE CA C 13 59.780 0.3 A 101 PHE CB C 13 40.527 0.3 A 101 PHE CD1 C 13 131.732 0.3 A 101 PHE CE1 C 13 131.445 0.3 A 101 PHE CZ C 13 130.117 0.3 A 101 PHE N N 15 120.553 0.3 A 102 ILE H H 1 9.416 0.020 A 102 ILE HA H 1 5.167 0.020 A 102 ILE HB H 1 1.597 0.020 A 102 ILE HD1% H 1 0.094 0.020 A 102 ILE HG1x H 1 1.169 0.020 A 102 ILE HG1y H 1 1.374 0.020 A 102 ILE HG2% H 1 0.586 0.020 A 102 ILE C C 13 174.660 0.3 A 102 ILE CA C 13 59.058 0.3 A 102 ILE CB C 13 41.631 0.3 A 102 ILE CD1 C 13 14.123 0.3 A 102 ILE CG1 C 13 24.758 0.3 A 102 ILE CG2 C 13 17.832 0.3 A 102 ILE N N 15 116.472 0.3 A 103 ARG H H 1 8.474 0.020 A 103 ARG HA H 1 4.554 0.020 A 103 ARG HBx H 1 1.456 0.020 A 103 ARG HBy H 1 1.744 0.020 A 103 ARG HDx H 1 2.701 0.020 A 103 ARG HDy H 1 2.753 0.020 A 103 ARG HGx H 1 1.370 0.020 A 103 ARG HGy H 1 1.566 0.020 A 103 ARG C C 13 174.341 0.3 A 103 ARG CA C 13 55.736 0.3 A 103 ARG CB C 13 31.681 0.3 A 103 ARG CD C 13 42.800 0.3 A 103 ARG CG C 13 27.286 0.3 A 103 ARG N N 15 122.176 0.3 A 104 ILE H H 1 8.298 0.020 A 104 ILE HA H 1 4.546 0.020 A 104 ILE HB H 1 1.842 0.020 A 104 ILE HD1% H 1 0.653 0.020 A 104 ILE HG1y H 1 1.333 0.020 A 104 ILE HG1x H 1 1.226 0.020 A 104 ILE HG2% H 1 0.859 0.020 A 104 ILE C C 13 175.044 0.3 A 104 ILE CA C 13 58.071 0.3 A 104 ILE CB C 13 41.122 0.3 A 104 ILE CD1 C 13 11.887 0.3 A 104 ILE CG1 C 13 26.763 0.3 A 104 ILE CG2 C 13 17.703 0.3 A 104 ILE N N 15 122.791 0.3 A 105 ASP H H 1 8.886 0.020 A 105 ASP HA H 1 4.767 0.020 A 105 ASP HBx H 1 2.435 0.020 A 105 ASP HBy H 1 2.878 0.020 A 105 ASP C C 13 176.957 0.3 A 105 ASP CA C 13 56.129 0.3 A 105 ASP CB C 13 41.293 0.3 A 105 ASP N N 15 128.660 0.3 A 106 THR H H 1 9.214 0.020 A 106 THR HA H 1 5.109 0.020 A 106 THR HB H 1 3.959 0.020 A 106 THR HG2% H 1 0.978 0.020 A 106 THR C C 13 173.147 0.3 A 106 THR CA C 13 60.768 0.3 A 106 THR CB C 13 73.953 0.3 A 106 THR CG2 C 13 21.421 0.3 A 106 THR N N 15 115.844 0.3 A 107 ALA H H 1 7.486 0.020 A 107 ALA HA H 1 4.007 0.020 A 107 ALA HB% H 1 0.971 0.020 A 107 ALA C C 13 173.476 0.3 A 107 ALA CA C 13 51.909 0.3 A 107 ALA CB C 13 22.056 0.3 A 107 ALA N N 15 121.885 0.3 A 108 CYS H H 1 8.448 0.020 A 108 CYS HA H 1 5.110 0.020 A 108 CYS HBx H 1 2.870 0.020 A 108 CYS HBy H 1 3.180 0.020 A 108 CYS C C 13 173.463 0.3 A 108 CYS CA C 13 55.019 0.3 A 108 CYS CB C 13 41.084 0.3 A 108 CYS N N 15 119.610 0.3 A 109 VAL H H 1 9.358 0.020 A 109 VAL HA H 1 4.496 0.020 A 109 VAL HB H 1 2.242 0.020 A 109 VAL HGx% H 1 0.717 0.020 A 109 VAL HGy% H 1 1.020 0.020 A 109 VAL C C 13 172.894 0.3 A 109 VAL CA C 13 59.236 0.3 A 109 VAL CB C 13 35.228 0.3 A 109 VAL CG1 C 13 21.476 0.3 A 109 VAL CG2 C 13 19.515 0.3 A 109 VAL N N 15 120.845 0.3 A 110 CYS H H 1 7.536 0.020 A 110 CYS HA H 1 4.930 0.020 A 110 CYS HBx H 1 2.883 0.020 A 110 CYS HBy H 1 2.973 0.020 A 110 CYS C C 13 173.791 0.3 A 110 CYS CA C 13 56.258 0.3 A 110 CYS CB C 13 42.223 0.3 A 110 CYS N N 15 119.289 0.3 A 111 VAL H H 1 8.994 0.020 A 111 VAL HA H 1 4.209 0.020 A 111 VAL HB H 1 1.116 0.020 A 111 VAL HGx% H 1 0.440 0.020 A 111 VAL HGy% H 1 0.713 0.020 A 111 VAL C C 13 175.899 0.3 A 111 VAL CA C 13 61.467 0.3 A 111 VAL CB C 13 33.550 0.3 A 111 VAL CG1 C 13 20.871 0.3 A 111 VAL CG2 C 13 21.764 0.3 A 111 VAL N N 15 131.783 0.3 A 112 LEU H H 1 8.411 0.020 A 112 LEU HA H 1 5.191 0.020 A 112 LEU HBx H 1 1.220 0.020 A 112 LEU HBy H 1 1.343 0.020 A 112 LEU HDx% H 1 -0.409 0.020 A 112 LEU HDy% H 1 0.320 0.020 A 112 LEU HG H 1 1.050 0.020 A 112 LEU C C 13 177.433 0.3 A 112 LEU CA C 13 53.353 0.3 A 112 LEU CB C 13 46.753 0.3 A 112 LEU CD1 C 13 24.422 0.3 A 112 LEU CD2 C 13 23.393 0.3 A 112 LEU CG C 13 26.469 0.3 A 112 LEU N N 15 121.655 0.3 A 113 SER H H 1 8.607 0.020 A 113 SER HA H 1 4.990 0.020 A 113 SER HB3 H 1 3.921 0.020 A 113 SER C C 13 175.695 0.3 A 113 SER CA C 13 57.776 0.3 A 113 SER CB C 13 65.801 0.3 A 113 SER N N 15 111.489 0.3 A 114 ARG H H 1 9.306 0.020 A 114 ARG HA H 1 4.118 0.020 A 114 ARG HB3 H 1 1.456 0.020 A 114 ARG HDy H 1 2.499 0.020 A 114 ARG HDx H 1 2.450 0.020 A 114 ARG HG3 H 1 1.087 0.020 A 114 ARG CA C 13 57.824 0.3 A 114 ARG CB C 13 31.569 0.3 A 114 ARG CD C 13 43.600 0.3 A 114 ARG CG C 13 27.326 0.3 A 114 ARG N N 15 126.216 0.3 A 115 LYS H H 1 7.680 0.020 A 115 LYS HA H 1 4.290 0.020 A 115 LYS HBx H 1 1.330 0.020 A 115 LYS HBy H 1 1.603 0.020 A 115 LYS HDx H 1 1.451 0.020 A 115 LYS HDy H 1 1.590 0.020 A 115 LYS HE3 H 1 2.869 0.020 A 115 LYS HG3 H 1 1.231 0.020 A 115 LYS C C 13 176.029 0.3 A 115 LYS CA C 13 56.844 0.3 A 115 LYS CB C 13 33.530 0.3 A 115 LYS CD C 13 29.296 0.3 A 115 LYS CE C 13 42.200 0.3 A 115 LYS CG C 13 25.870 0.3 A 115 LYS N N 15 122.407 0.3 A 116 ALA H H 1 8.391 0.020 A 116 ALA HA H 1 4.385 0.020 A 116 ALA HB% H 1 1.378 0.020 A 116 ALA C C 13 177.581 0.3 A 116 ALA CA C 13 52.238 0.3 A 116 ALA CB C 13 19.434 0.3 A 116 ALA N N 15 126.173 0.3 A 117 THR H H 1 8.117 0.020 A 117 THR HA H 1 4.295 0.020 A 117 THR HB H 1 4.232 0.020 A 117 THR HG2% H 1 1.171 0.020 A 117 THR C C 13 173.656 0.3 A 117 THR CA C 13 61.762 0.3 A 117 THR CB C 13 70.056 0.3 A 117 THR CG2 C 13 21.700 0.3 A 117 THR N N 15 114.276 0.3 A 118 ARG H H 1 7.906 0.020 A 118 ARG HA H 1 4.175 0.020 A 118 ARG HBy H 1 1.821 0.020 A 118 ARG HBx H 1 1.715 0.020 A 118 ARG HD3 H 1 3.175 0.020 A 118 ARG HG3 H 1 1.571 0.020 A 118 ARG C C 13 180.755 0.3 A 118 ARG CA C 13 57.526 0.3 A 118 ARG CB C 13 31.582 0.3 A 118 ARG CD C 13 43.537 0.3 A 118 ARG CG C 13 27.055 0.3 A 118 ARG N N 15 127.726 0.3 B 2 SER H H 1 8.379 0.020 B 2 SER HA H 1 4.630 0.020 B 2 SER HB3 H 1 3.885 0.020 B 2 SER CA C 13 58.544 0.3 B 2 SER CB C 13 63.908 0.3 B 2 SER N N 15 110.528 0.3 B 3 THR H H 1 7.856 0.020 B 3 THR HA H 1 4.750 0.020 B 3 THR HB H 1 4.395 0.020 B 3 THR HG2% H 1 1.243 0.020 B 3 THR C C 13 175.885 0.3 B 3 THR CA C 13 62.323 0.3 B 3 THR CB C 13 70.082 0.3 B 3 THR CG2 C 13 21.992 0.3 B 3 THR N N 15 120.854 0.3 B 4 HIS H H 1 9.042 0.020 B 4 HIS HA H 1 4.846 0.020 B 4 HIS HBy H 1 3.040 0.020 B 4 HIS HBx H 1 2.932 0.020 B 4 HIS HD2 H 1 6.987 0.020 B 4 HIS HE1 H 1 7.625 0.020 B 4 HIS CA C 13 54.565 0.3 B 4 HIS CB C 13 30.418 0.3 B 4 HIS CD2 C 13 120.289 0.3 B 4 HIS CE1 C 13 138.559 0.3 B 4 HIS N N 15 124.906 0.3 B 5 PRO HA H 1 4.389 0.020 B 5 PRO HBy H 1 2.155 0.020 B 5 PRO HBx H 1 1.685 0.020 B 5 PRO HDx H 1 3.417 0.020 B 5 PRO HDy H 1 3.701 0.020 B 5 PRO HGy H 1 2.011 0.020 B 5 PRO HGx H 1 1.925 0.020 B 5 PRO C C 13 176.412 0.3 B 5 PRO CA C 13 63.266 0.3 B 5 PRO CB C 13 32.129 0.3 B 5 PRO CD C 13 50.679 0.3 B 5 PRO CG C 13 27.391 0.3 B 6 VAL H H 1 8.196 0.020 B 6 VAL HA H 1 4.035 0.020 B 6 VAL HB H 1 1.908 0.020 B 6 VAL HGx% H 1 0.763 0.020 B 6 VAL HGy% H 1 0.853 0.020 B 6 VAL C C 13 175.657 0.3 B 6 VAL CA C 13 62.313 0.3 B 6 VAL CB C 13 33.074 0.3 B 6 VAL CG1 C 13 21.130 0.3 B 6 VAL CG2 C 13 20.710 0.3 B 6 VAL N N 15 119.912 0.3 B 7 PHE H H 1 8.154 0.020 B 7 PHE HA H 1 4.674 0.020 B 7 PHE HBy H 1 3.106 0.020 B 7 PHE HBx H 1 2.921 0.020 B 7 PHE HD1 H 1 7.155 0.020 B 7 PHE HE1 H 1 7.218 0.020 B 7 PHE HZ H 1 6.902 0.020 B 7 PHE C C 13 174.957 0.3 B 7 PHE CA C 13 57.148 0.3 B 7 PHE CB C 13 39.838 0.3 B 7 PHE CD1 C 13 131.578 0.3 B 7 PHE CE1 C 13 129.654 0.3 B 7 PHE CZ C 13 131.264 0.3 B 7 PHE N N 15 123.336 0.3 B 8 HIS H H 1 8.238 0.020 B 8 HIS HA H 1 4.609 0.020 B 8 HIS HBx H 1 3.008 0.020 B 8 HIS HBy H 1 3.128 0.020 B 8 HIS HD2 H 1 6.972 0.020 B 8 HIS HE1 H 1 8.108 0.020 B 8 HIS C C 13 175.022 0.3 B 8 HIS CA C 13 56.342 0.3 B 8 HIS CB C 13 30.972 0.3 B 8 HIS CD2 C 13 120.057 0.3 B 8 HIS CE1 C 13 137.096 0.3 B 8 HIS N N 15 122.658 0.3 B 9 MET H H 1 8.301 0.020 B 9 MET HA H 1 4.471 0.020 B 9 MET HBy H 1 2.124 0.020 B 9 MET HBx H 1 1.996 0.020 B 9 MET HE% H 1 2.082 0.020 B 9 MET HGy H 1 2.554 0.020 B 9 MET HGx H 1 2.487 0.020 B 9 MET C C 13 176.410 0.3 B 9 MET CA C 13 55.986 0.3 B 9 MET CB C 13 32.609 0.3 B 9 MET CE C 13 16.970 0.3 B 9 MET CG C 13 32.121 0.3 B 9 MET N N 15 121.186 0.3 B 10 GLY H H 1 8.466 0.020 B 10 GLY HAy H 1 4.004 0.020 B 10 GLY HAx H 1 3.921 0.020 B 10 GLY C C 13 173.471 0.3 B 10 GLY CA C 13 45.373 0.3 B 10 GLY N N 15 110.525 0.3 B 11 GLU H H 1 8.028 0.020 B 11 GLU HA H 1 4.700 0.020 B 11 GLU HB3 H 1 1.883 0.020 B 11 GLU HGy H 1 2.211 0.020 B 11 GLU HGx H 1 2.113 0.020 B 11 GLU C C 13 176.081 0.3 B 11 GLU CA C 13 56.061 0.3 B 11 GLU CB C 13 29.200 0.3 B 11 GLU CG C 13 37.535 0.3 B 11 GLU N N 15 119.740 0.3 B 12 PHE H H 1 8.537 0.020 B 12 PHE HA H 1 4.750 0.020 B 12 PHE HBy H 1 3.118 0.020 B 12 PHE HBx H 1 2.715 0.020 B 12 PHE HD1 H 1 7.217 0.020 B 12 PHE HE1 H 1 7.254 0.020 B 12 PHE HZ H 1 6.900 0.020 B 12 PHE C C 13 174.339 0.3 B 12 PHE CA C 13 56.145 0.3 B 12 PHE CB C 13 41.952 0.3 B 12 PHE CD1 C 13 132.442 0.3 B 12 PHE CE1 C 13 131.292 0.3 B 12 PHE CZ C 13 128.900 0.3 B 12 PHE N N 15 118.338 0.3 B 13 SER H H 1 8.534 0.020 B 13 SER HA H 1 4.773 0.020 B 13 SER HBx H 1 3.788 0.020 B 13 SER HBy H 1 3.916 0.020 B 13 SER C C 13 174.536 0.3 B 13 SER CA C 13 57.099 0.3 B 13 SER CB C 13 64.712 0.3 B 13 SER N N 15 115.531 0.3 B 14 VAL H H 1 7.216 0.020 B 14 VAL HA H 1 4.047 0.020 B 14 VAL HB H 1 2.150 0.020 B 14 VAL HGx% H 1 1.003 0.020 B 14 VAL HGy% H 1 0.850 0.020 B 14 VAL C C 13 175.421 0.3 B 14 VAL CA C 13 63.630 0.3 B 14 VAL CB C 13 32.353 0.3 B 14 VAL CG1 C 13 22.599 0.3 B 14 VAL CG2 C 13 23.378 0.3 B 14 VAL N N 15 116.479 0.3 B 15 CYS H H 1 7.040 0.020 B 15 CYS HA H 1 4.700 0.020 B 15 CYS HBx H 1 2.665 0.020 B 15 CYS HBy H 1 3.106 0.020 B 15 CYS C C 13 175.208 0.3 B 15 CYS CA C 13 54.507 0.3 B 15 CYS CB C 13 47.589 0.3 B 15 CYS N N 15 114.284 0.3 B 16 ASP H H 1 7.811 0.020 B 16 ASP HA H 1 5.179 0.020 B 16 ASP HBx H 1 2.760 0.020 B 16 ASP HBy H 1 2.870 0.020 B 16 ASP C C 13 175.417 0.3 B 16 ASP CA C 13 57.526 0.3 B 16 ASP CB C 13 42.500 0.3 B 16 ASP N N 15 125.525 0.3 B 17 SER H H 1 8.934 0.020 B 17 SER HA H 1 5.162 0.020 B 17 SER HBx H 1 3.537 0.020 B 17 SER HBy H 1 3.675 0.020 B 17 SER C C 13 172.613 0.3 B 17 SER CA C 13 57.253 0.3 B 17 SER CB C 13 67.008 0.3 B 17 SER N N 15 118.963 0.3 B 18 VAL H H 1 8.661 0.020 B 18 VAL HA H 1 4.449 0.020 B 18 VAL HB H 1 1.833 0.020 B 18 VAL HGx% H 1 0.811 0.020 B 18 VAL HGy% H 1 0.722 0.020 B 18 VAL C C 13 174.123 0.3 B 18 VAL CA C 13 60.888 0.3 B 18 VAL CB C 13 34.884 0.3 B 18 VAL CG1 C 13 20.246 0.3 B 18 VAL CG2 C 13 21.155 0.3 B 18 VAL N N 15 119.594 0.3 B 19 SER H H 1 8.509 0.020 B 19 SER HA H 1 5.404 0.020 B 19 SER HBy H 1 3.249 0.020 B 19 SER HBx H 1 3.121 0.020 B 19 SER C C 13 173.044 0.3 B 19 SER CA C 13 57.542 0.3 B 19 SER CB C 13 65.283 0.3 B 19 SER N N 15 123.331 0.3 B 20 VAL H H 1 8.739 0.020 B 20 VAL HA H 1 4.457 0.020 B 20 VAL HB H 1 2.026 0.020 B 20 VAL HGx% H 1 0.856 0.020 B 20 VAL HGy% H 1 0.830 0.020 B 20 VAL C C 13 173.461 0.3 B 20 VAL CA C 13 59.829 0.3 B 20 VAL CB C 13 36.591 0.3 B 20 VAL CG1 C 13 21.606 0.3 B 20 VAL CG2 C 13 20.276 0.3 B 20 VAL N N 15 121.143 0.3 B 21 TRP H H 1 8.437 0.020 B 21 TRP HA H 1 5.188 0.020 B 21 TRP HBx H 1 3.007 0.020 B 21 TRP HBy H 1 3.159 0.020 B 21 TRP HD1 H 1 7.299 0.020 B 21 TRP HE1 H 1 9.868 0.020 B 21 TRP HE3 H 1 7.220 0.020 B 21 TRP HH2 H 1 5.616 0.020 B 21 TRP HZ2 H 1 6.432 0.020 B 21 TRP HZ3 H 1 6.119 0.020 B 21 TRP C C 13 176.970 0.3 B 21 TRP CA C 13 56.868 0.3 B 21 TRP CB C 13 29.762 0.3 B 21 TRP CD1 C 13 127.326 0.3 B 21 TRP CE3 C 13 119.230 0.3 B 21 TRP CH2 C 13 123.310 0.3 B 21 TRP CZ2 C 13 114.443 0.3 B 21 TRP CZ3 C 13 121.480 0.3 B 21 TRP N N 15 122.418 0.3 B 21 TRP NE1 N 15 129.155 0.3 B 22 VAL H H 1 9.954 0.020 B 22 VAL HA H 1 4.471 0.020 B 22 VAL HB H 1 2.425 0.020 B 22 VAL HGx% H 1 1.111 0.020 B 22 VAL HGy% H 1 1.237 0.020 B 22 VAL C C 13 176.433 0.3 B 22 VAL CA C 13 62.701 0.3 B 22 VAL CB C 13 34.184 0.3 B 22 VAL CG1 C 13 21.497 0.3 B 22 VAL CG2 C 13 22.173 0.3 B 22 VAL N N 15 126.159 0.3 B 23 GLY H H 1 9.107 0.020 B 23 GLY HAy H 1 4.565 0.020 B 23 GLY HAx H 1 3.280 0.020 B 23 GLY C C 13 173.555 0.3 B 23 GLY CA C 13 45.201 0.3 B 23 GLY N N 15 115.860 0.3 B 24 ASP H H 1 8.120 0.020 B 24 ASP HA H 1 4.781 0.020 B 24 ASP HBy H 1 2.998 0.020 B 24 ASP HBx H 1 2.488 0.020 B 24 ASP C C 13 175.789 0.3 B 24 ASP CA C 13 52.125 0.3 B 24 ASP CB C 13 40.536 0.3 B 24 ASP N N 15 120.535 0.3 B 25 LYS H H 1 8.537 0.020 B 25 LYS HA H 1 4.177 0.020 B 25 LYS HBy H 1 1.780 0.020 B 25 LYS HBx H 1 1.703 0.020 B 25 LYS HDy H 1 1.663 0.020 B 25 LYS HDx H 1 1.434 0.020 B 25 LYS HEx H 1 2.450 0.020 B 25 LYS HEy H 1 2.630 0.020 B 25 LYS HGx H 1 1.266 0.020 B 25 LYS HGy H 1 1.373 0.020 B 25 LYS C C 13 176.690 0.3 B 25 LYS CA C 13 57.710 0.3 B 25 LYS CB C 13 33.700 0.3 B 25 LYS CD C 13 28.754 0.3 B 25 LYS CE C 13 39.970 0.3 B 25 LYS CG C 13 24.795 0.3 B 25 LYS N N 15 122.022 0.3 B 26 THR H H 1 8.610 0.020 B 26 THR HA H 1 4.659 0.020 B 26 THR HB H 1 4.161 0.020 B 26 THR HG2% H 1 1.126 0.020 B 26 THR C C 13 175.546 0.3 B 26 THR CA C 13 62.212 0.3 B 26 THR CB C 13 70.152 0.3 B 26 THR CG2 C 13 21.600 0.3 B 26 THR N N 15 116.162 0.3 B 27 THR H H 1 7.877 0.020 B 27 THR HA H 1 5.238 0.020 B 27 THR HB H 1 4.025 0.020 B 27 THR HG2% H 1 1.155 0.020 B 27 THR C C 13 172.459 0.3 B 27 THR CA C 13 60.695 0.3 B 27 THR CB C 13 71.768 0.3 B 27 THR CG2 C 13 21.687 0.3 B 27 THR N N 15 116.492 0.3 B 28 ALA H H 1 8.777 0.020 B 28 ALA HA H 1 4.568 0.020 B 28 ALA HB% H 1 1.109 0.020 B 28 ALA C C 13 174.513 0.3 B 28 ALA CA C 13 50.953 0.3 B 28 ALA CB C 13 23.805 0.3 B 28 ALA N N 15 124.266 0.3 B 29 THR H H 1 8.858 0.020 B 29 THR HA H 1 4.910 0.020 B 29 THR HB H 1 3.725 0.020 B 29 THR HG2% H 1 1.216 0.020 B 29 THR C C 13 174.251 0.3 B 29 THR CA C 13 61.578 0.3 B 29 THR CB C 13 70.355 0.3 B 29 THR CG2 C 13 21.973 0.3 B 29 THR N N 15 116.147 0.3 B 30 ASP H H 1 9.358 0.020 B 30 ASP HA H 1 5.387 0.020 B 30 ASP HBy H 1 3.340 0.020 B 30 ASP HBx H 1 2.500 0.020 B 30 ASP C C 13 179.547 0.3 B 30 ASP CA C 13 52.691 0.3 B 30 ASP CB C 13 42.731 0.3 B 30 ASP N N 15 126.156 0.3 B 31 ILE H H 1 7.713 0.020 B 31 ILE HA H 1 3.847 0.020 B 31 ILE HB H 1 1.353 0.020 B 31 ILE HD1% H 1 0.152 0.020 B 31 ILE HG1x H 1 0.761 0.020 B 31 ILE HG1y H 1 0.794 0.020 B 31 ILE HG2% H 1 0.890 0.020 B 31 ILE C C 13 175.348 0.3 B 31 ILE CA C 13 63.682 0.3 B 31 ILE CB C 13 39.610 0.3 B 31 ILE CD1 C 13 14.450 0.3 B 31 ILE CG1 C 13 29.031 0.3 B 31 ILE CG2 C 13 16.674 0.3 B 31 ILE N N 15 117.420 0.3 B 32 LYS H H 1 7.872 0.020 B 32 LYS HA H 1 4.375 0.020 B 32 LYS HB3 H 1 2.007 0.020 B 32 LYS HD3 H 1 1.646 0.020 B 32 LYS HE3 H 1 2.942 0.020 B 32 LYS HGx H 1 1.342 0.020 B 32 LYS HGy H 1 1.456 0.020 B 32 LYS C C 13 176.834 0.3 B 32 LYS CA C 13 55.684 0.3 B 32 LYS CB C 13 32.136 0.3 B 32 LYS CD C 13 28.989 0.3 B 32 LYS CE C 13 42.255 0.3 B 32 LYS CG C 13 25.646 0.3 B 32 LYS N N 15 121.152 0.3 B 33 GLY H H 1 8.180 0.020 B 33 GLY HAx H 1 3.471 0.020 B 33 GLY HAy H 1 4.246 0.020 B 33 GLY C C 13 173.826 0.3 B 33 GLY CA C 13 45.337 0.3 B 33 GLY N N 15 108.655 0.3 B 34 LYS H H 1 8.679 0.020 B 34 LYS HA H 1 4.422 0.020 B 34 LYS HBy H 1 1.936 0.020 B 34 LYS HBx H 1 1.719 0.020 B 34 LYS HD3 H 1 1.661 0.020 B 34 LYS HEy H 1 2.934 0.020 B 34 LYS HEx H 1 2.820 0.020 B 34 LYS HGx H 1 1.351 0.020 B 34 LYS HGy H 1 1.377 0.020 B 34 LYS C C 13 175.384 0.3 B 34 LYS CA C 13 54.920 0.3 B 34 LYS CB C 13 33.527 0.3 B 34 LYS CD C 13 29.087 0.3 B 34 LYS CE C 13 41.948 0.3 B 34 LYS CG C 13 24.775 0.3 B 34 LYS N N 15 124.277 0.3 B 35 GLU H H 1 8.466 0.020 B 35 GLU HA H 1 4.818 0.020 B 35 GLU HB3 H 1 1.928 0.020 B 35 GLU HGx H 1 2.111 0.020 B 35 GLU HGy H 1 2.207 0.020 B 35 GLU C C 13 176.544 0.3 B 35 GLU CA C 13 56.619 0.3 B 35 GLU CB C 13 30.120 0.3 B 35 GLU CG C 13 37.163 0.3 B 35 GLU N N 15 124.297 0.3 B 36 VAL H H 1 9.147 0.020 B 36 VAL HA H 1 4.830 0.020 B 36 VAL HB H 1 2.087 0.020 B 36 VAL HGx% H 1 0.779 0.020 B 36 VAL HGy% H 1 0.628 0.020 B 36 VAL C C 13 174.264 0.3 B 36 VAL CA C 13 58.986 0.3 B 36 VAL CB C 13 35.753 0.3 B 36 VAL CG1 C 13 22.010 0.3 B 36 VAL CG2 C 13 18.608 0.3 B 36 VAL N N 15 118.977 0.3 B 37 THR H H 1 8.403 0.020 B 37 THR HA H 1 4.770 0.020 B 37 THR HB H 1 4.142 0.020 B 37 THR HG2% H 1 1.120 0.020 B 37 THR C C 13 174.323 0.3 B 37 THR CA C 13 62.260 0.3 B 37 THR CB C 13 69.805 0.3 B 37 THR CG2 C 13 21.707 0.3 B 37 THR N N 15 117.399 0.3 B 38 VAL H H 1 8.326 0.020 B 38 VAL HA H 1 3.823 0.020 B 38 VAL HB H 1 1.818 0.020 B 38 VAL HGx% H 1 0.905 0.020 B 38 VAL HGy% H 1 0.491 0.020 B 38 VAL C C 13 174.973 0.3 B 38 VAL CA C 13 62.156 0.3 B 38 VAL CB C 13 32.421 0.3 B 38 VAL CG1 C 13 22.040 0.3 B 38 VAL CG2 C 13 22.523 0.3 B 38 VAL N N 15 128.028 0.3 B 39 LEU H H 1 7.267 0.020 B 39 LEU HA H 1 4.256 0.020 B 39 LEU HBx H 1 1.118 0.020 B 39 LEU HBy H 1 1.586 0.020 B 39 LEU HDx% H 1 0.714 0.020 B 39 LEU HDy% H 1 0.754 0.020 B 39 LEU HG H 1 1.431 0.020 B 39 LEU C C 13 177.648 0.3 B 39 LEU CA C 13 55.035 0.3 B 39 LEU CB C 13 41.355 0.3 B 39 LEU CD1 C 13 24.793 0.3 B 39 LEU CD2 C 13 23.399 0.3 B 39 LEU CG C 13 28.721 0.3 B 39 LEU N N 15 127.407 0.3 B 40 ALA H H 1 8.512 0.020 B 40 ALA HA H 1 4.285 0.020 B 40 ALA HB% H 1 1.449 0.020 B 40 ALA C C 13 178.154 0.3 B 40 ALA CA C 13 54.957 0.3 B 40 ALA CB C 13 19.414 0.3 B 40 ALA N N 15 124.579 0.3 B 41 GLU H H 1 7.581 0.020 B 41 GLU HA H 1 4.874 0.020 B 41 GLU HBy H 1 1.965 0.020 B 41 GLU HBx H 1 1.709 0.020 B 41 GLU HG3 H 1 1.913 0.020 B 41 GLU C C 13 174.092 0.3 B 41 GLU CA C 13 54.380 0.3 B 41 GLU CB C 13 33.778 0.3 B 41 GLU CG C 13 36.614 0.3 B 41 GLU N N 15 113.348 0.3 B 42 VAL H H 1 8.538 0.020 B 42 VAL HA H 1 3.923 0.020 B 42 VAL HB H 1 1.110 0.020 B 42 VAL HGx% H 1 0.430 0.020 B 42 VAL HGy% H 1 0.600 0.020 B 42 VAL C C 13 173.123 0.3 B 42 VAL CA C 13 60.214 0.3 B 42 VAL CB C 13 33.800 0.3 B 42 VAL CG1 C 13 20.798 0.3 B 42 VAL CG2 C 13 21.850 0.3 B 42 VAL N N 15 119.278 0.3 B 43 ASN H H 1 7.978 0.020 B 43 ASN HA H 1 5.143 0.020 B 43 ASN HBy H 1 2.780 0.020 B 43 ASN HBx H 1 2.475 0.020 B 43 ASN HD21 H 1 7.242 0.020 B 43 ASN HD22 H 1 6.667 0.020 B 43 ASN C C 13 175.066 0.3 B 43 ASN CA C 13 51.986 0.3 B 43 ASN CB C 13 39.713 0.3 B 43 ASN N N 15 123.340 0.3 B 43 ASN ND2 N 15 110.598 0.3 B 44 ILE H H 1 8.583 0.020 B 44 ILE HA H 1 4.344 0.020 B 44 ILE HB H 1 1.758 0.020 B 44 ILE HD1% H 1 0.485 0.020 B 44 ILE HG1x H 1 0.932 0.020 B 44 ILE HG1y H 1 1.300 0.020 B 44 ILE HG2% H 1 0.858 0.020 B 44 ILE C C 13 174.147 0.3 B 44 ILE CA C 13 60.104 0.3 B 44 ILE CB C 13 39.923 0.3 B 44 ILE CD1 C 13 13.255 0.3 B 44 ILE CG1 C 13 27.039 0.3 B 44 ILE CG2 C 13 17.769 0.3 B 44 ILE N N 15 123.976 0.3 B 45 ASN H H 1 8.050 0.020 B 45 ASN HA H 1 4.720 0.020 B 45 ASN HBy H 1 3.101 0.020 B 45 ASN HBx H 1 2.895 0.020 B 45 ASN HD21 H 1 7.661 0.020 B 45 ASN HD22 H 1 7.010 0.020 B 45 ASN C C 13 174.758 0.3 B 45 ASN CA C 13 50.587 0.3 B 45 ASN CB C 13 37.450 0.3 B 45 ASN N N 15 117.111 0.3 B 45 ASN ND2 N 15 112.353 0.3 B 46 ASN H H 1 8.513 0.020 B 46 ASN HA H 1 4.412 0.020 B 46 ASN HB3 H 1 3.066 0.020 B 46 ASN HD21 H 1 7.546 0.020 B 46 ASN HD22 H 1 6.886 0.020 B 46 ASN C C 13 174.552 0.3 B 46 ASN CA C 13 54.945 0.3 B 46 ASN CB C 13 37.744 0.3 B 46 ASN N N 15 111.795 0.3 B 46 ASN ND2 N 15 113.188 0.3 B 47 SER H H 1 7.875 0.020 B 47 SER HA H 1 4.451 0.020 B 47 SER HBy H 1 3.920 0.020 B 47 SER HBx H 1 3.861 0.020 B 47 SER C C 13 172.361 0.3 B 47 SER CA C 13 58.071 0.3 B 47 SER CB C 13 65.059 0.3 B 47 SER N N 15 116.234 0.3 B 48 VAL H H 1 8.278 0.020 B 48 VAL HA H 1 4.943 0.020 B 48 VAL HB H 1 1.794 0.020 B 48 VAL HGx% H 1 0.710 0.020 B 48 VAL HGy% H 1 0.759 0.020 B 48 VAL C C 13 174.028 0.3 B 48 VAL CA C 13 60.936 0.3 B 48 VAL CB C 13 33.838 0.3 B 48 VAL CG1 C 13 20.878 0.3 B 48 VAL CG2 C 13 21.240 0.3 B 48 VAL N N 15 123.340 0.3 B 49 PHE H H 1 8.668 0.020 B 49 PHE HA H 1 4.921 0.020 B 49 PHE HBx H 1 2.931 0.020 B 49 PHE HBy H 1 3.183 0.020 B 49 PHE HD1 H 1 6.960 0.020 B 49 PHE HE1 H 1 6.838 0.020 B 49 PHE HZ H 1 7.592 0.020 B 49 PHE C C 13 176.620 0.3 B 49 PHE CA C 13 55.163 0.3 B 49 PHE CB C 13 41.394 0.3 B 49 PHE CD1 C 13 132.677 0.3 B 49 PHE CE1 C 13 130.761 0.3 B 49 PHE CZ C 13 129.168 0.3 B 49 PHE N N 15 121.675 0.3 B 50 ARG H H 1 8.295 0.020 B 50 ARG HA H 1 4.319 0.020 B 50 ARG HB3 H 1 1.764 0.020 B 50 ARG HDx H 1 3.173 0.020 B 50 ARG HDy H 1 3.231 0.020 B 50 ARG HGx H 1 1.486 0.020 B 50 ARG HGy H 1 1.500 0.020 B 50 ARG C C 13 172.636 0.3 B 50 ARG CA C 13 57.879 0.3 B 50 ARG CB C 13 31.308 0.3 B 50 ARG CD C 13 42.840 0.3 B 50 ARG CG C 13 27.603 0.3 B 50 ARG N N 15 122.254 0.3 B 51 GLN H H 1 8.235 0.020 B 51 GLN HA H 1 4.478 0.020 B 51 GLN HB3 H 1 2.018 0.020 B 51 GLN HE21 H 1 8.518 0.020 B 51 GLN HE22 H 1 7.421 0.020 B 51 GLN HG2 H 1 2.208 0.020 B 51 GLN HG3 H 1 2.208 0.020 B 51 GLN C C 13 176.773 0.3 B 51 GLN CA C 13 55.824 0.3 B 51 GLN CB C 13 30.402 0.3 B 51 GLN CG C 13 33.302 0.3 B 51 GLN N N 15 119.335 0.3 B 51 GLN NE2 N 15 113.212 0.3 B 52 TYR H H 1 9.007 0.020 B 52 TYR HA H 1 4.900 0.020 B 52 TYR HBy H 1 3.269 0.020 B 52 TYR HBx H 1 3.245 0.020 B 52 TYR HD1 H 1 7.027 0.020 B 52 TYR HE1 H 1 6.769 0.020 B 52 TYR C C 13 175.186 0.3 B 52 TYR CA C 13 56.884 0.3 B 52 TYR CB C 13 39.715 0.3 B 52 TYR CD1 C 13 132.924 0.3 B 52 TYR CE1 C 13 118.231 0.3 B 52 TYR N N 15 126.466 0.3 B 53 PHE H H 1 8.813 0.020 B 53 PHE HA H 1 5.292 0.020 B 53 PHE HBx H 1 2.920 0.020 B 53 PHE HBy H 1 3.119 0.020 B 53 PHE HD1 H 1 7.363 0.020 B 53 PHE HE1 H 1 7.117 0.020 B 53 PHE HZ H 1 6.944 0.020 B 53 PHE C C 13 172.996 0.3 B 53 PHE CA C 13 56.627 0.3 B 53 PHE CB C 13 40.245 0.3 B 53 PHE CD1 C 13 132.953 0.3 B 53 PHE CE1 C 13 129.437 0.3 B 53 PHE CZ C 13 131.215 0.3 B 53 PHE N N 15 116.799 0.3 B 54 PHE H H 1 9.060 0.020 B 54 PHE HA H 1 4.509 0.020 B 54 PHE HBx H 1 2.719 0.020 B 54 PHE HBy H 1 2.852 0.020 B 54 PHE HD1 H 1 6.165 0.020 B 54 PHE HE1 H 1 6.890 0.020 B 54 PHE HZ H 1 6.260 0.020 B 54 PHE C C 13 173.843 0.3 B 54 PHE CA C 13 56.733 0.3 B 54 PHE CB C 13 38.892 0.3 B 54 PHE CD1 C 13 131.552 0.3 B 54 PHE CE1 C 13 131.210 0.3 B 54 PHE CZ C 13 131.544 0.3 B 54 PHE N N 15 127.511 0.3 B 55 GLU H H 1 8.497 0.020 B 55 GLU HA H 1 4.899 0.020 B 55 GLU HBy H 1 1.962 0.020 B 55 GLU HBx H 1 1.715 0.020 B 55 GLU HGy H 1 2.332 0.020 B 55 GLU HGx H 1 2.157 0.020 B 55 GLU C C 13 174.838 0.3 B 55 GLU CA C 13 55.278 0.3 B 55 GLU CB C 13 33.707 0.3 B 55 GLU CG C 13 37.714 0.3 B 55 GLU N N 15 127.727 0.3 B 56 THR H H 1 7.678 0.020 B 56 THR HA H 1 4.928 0.020 B 56 THR HB H 1 3.214 0.020 B 56 THR HG2% H 1 0.819 0.020 B 56 THR C C 13 170.853 0.3 B 56 THR CA C 13 61.177 0.3 B 56 THR CB C 13 70.925 0.3 B 56 THR CG2 C 13 21.970 0.3 B 56 THR N N 15 120.838 0.3 B 57 LYS H H 1 8.194 0.020 B 57 LYS HA H 1 4.617 0.020 B 57 LYS HBx H 1 1.623 0.020 B 57 LYS HBy H 1 1.779 0.020 B 57 LYS HDy H 1 1.650 0.020 B 57 LYS HDx H 1 1.602 0.020 B 57 LYS HEy H 1 2.973 0.020 B 57 LYS HEx H 1 2.871 0.020 B 57 LYS HGx H 1 1.168 0.020 B 57 LYS HGy H 1 1.390 0.020 B 57 LYS C C 13 176.399 0.3 B 57 LYS CA C 13 52.848 0.3 B 57 LYS CB C 13 36.598 0.3 B 57 LYS CD C 13 29.149 0.3 B 57 LYS CE C 13 42.461 0.3 B 57 LYS CG C 13 23.652 0.3 B 57 LYS N N 15 118.346 0.3 B 58 CYS H H 1 8.050 0.020 B 58 CYS HA H 1 4.650 0.020 B 58 CYS HBy H 1 2.691 0.020 B 58 CYS HBx H 1 2.611 0.020 B 58 CYS C C 13 175.767 0.3 B 58 CYS CA C 13 54.066 0.3 B 58 CYS CB C 13 41.368 0.3 B 58 CYS N N 15 116.171 0.3 B 59 ARG H H 1 8.309 0.020 B 59 ARG HA H 1 4.004 0.020 B 59 ARG HBx H 1 1.480 0.020 B 59 ARG HBy H 1 1.773 0.020 B 59 ARG HDx H 1 3.151 0.020 B 59 ARG HDy H 1 3.231 0.020 B 59 ARG HGx H 1 1.501 0.020 B 59 ARG HGy H 1 1.765 0.020 B 59 ARG C C 13 173.692 0.3 B 59 ARG CA C 13 58.143 0.3 B 59 ARG CB C 13 31.037 0.3 B 59 ARG CD C 13 43.408 0.3 B 59 ARG CG C 13 27.779 0.3 B 59 ARG N N 15 122.977 0.3 B 60 ALA H H 1 8.409 0.020 B 60 ALA HA H 1 4.746 0.020 B 60 ALA HB% H 1 1.379 0.020 B 60 ALA C C 13 175.219 0.3 B 60 ALA CA C 13 53.201 0.3 B 60 ALA CB C 13 19.548 0.3 B 60 ALA N N 15 122.100 0.3 B 61 SER HA H 1 3.905 0.020 B 61 SER HB3 H 1 3.947 0.020 B 61 SER CA C 13 57.981 0.3 B 61 SER CB C 13 63.619 0.3 B 62 ASN H H 1 7.876 0.020 B 62 ASN HA H 1 5.128 0.020 B 62 ASN HBx H 1 2.754 0.020 B 62 ASN HBy H 1 2.886 0.020 B 62 ASN HD21 H 1 6.852 0.020 B 62 ASN HD22 H 1 7.215 0.020 B 62 ASN CA C 13 50.676 0.3 B 62 ASN CB C 13 38.069 0.3 B 62 ASN N N 15 112.295 0.3 B 62 ASN ND2 N 15 112.064 0.3 B 63 PRO HA H 1 4.236 0.020 B 63 PRO HBx H 1 1.850 0.020 B 63 PRO HBy H 1 2.386 0.020 B 63 PRO HDx H 1 3.352 0.020 B 63 PRO HDy H 1 3.909 0.020 B 63 PRO HGy H 1 2.380 0.020 B 63 PRO HGx H 1 2.301 0.020 B 63 PRO C C 13 177.648 0.3 B 63 PRO CA C 13 64.759 0.3 B 63 PRO CB C 13 31.936 0.3 B 63 PRO CD C 13 51.608 0.3 B 63 PRO CG C 13 27.930 0.3 B 64 VAL H H 1 7.661 0.020 B 64 VAL HA H 1 4.424 0.020 B 64 VAL HB H 1 2.296 0.020 B 64 VAL HGx% H 1 0.907 0.020 B 64 VAL HGy% H 1 0.656 0.020 B 64 VAL C C 13 176.767 0.3 B 64 VAL CA C 13 60.249 0.3 B 64 VAL CB C 13 34.042 0.3 B 64 VAL CG1 C 13 22.219 0.3 B 64 VAL CG2 C 13 19.708 0.3 B 64 VAL N N 15 110.228 0.3 B 65 GLU H H 1 8.546 0.020 B 65 GLU HA H 1 4.068 0.020 B 65 GLU HB3 H 1 2.057 0.020 B 65 GLU HG3 H 1 2.307 0.020 B 65 GLU C C 13 177.695 0.3 B 65 GLU CA C 13 59.371 0.3 B 65 GLU CB C 13 29.605 0.3 B 65 GLU CG C 13 36.378 0.3 B 65 GLU N N 15 120.861 0.3 B 66 SER H H 1 7.722 0.020 B 66 SER HA H 1 4.437 0.020 B 66 SER HBy H 1 4.161 0.020 B 66 SER HBx H 1 3.857 0.020 B 66 SER C C 13 173.993 0.3 B 66 SER CA C 13 58.699 0.3 B 66 SER CB C 13 63.888 0.3 B 66 SER N N 15 109.598 0.3 B 67 GLY H H 1 7.860 0.020 B 67 GLY HAy H 1 3.921 0.020 B 67 GLY HAx H 1 3.743 0.020 B 67 GLY C C 13 172.348 0.3 B 67 GLY CA C 13 45.579 0.3 B 67 GLY N N 15 112.408 0.3 B 68 CYS H H 1 8.490 0.020 B 68 CYS HA H 1 4.175 0.020 B 68 CYS HBx H 1 2.672 0.020 B 68 CYS HBy H 1 3.292 0.020 B 68 CYS C C 13 174.131 0.3 B 68 CYS CA C 13 54.436 0.3 B 68 CYS CB C 13 42.458 0.3 B 68 CYS N N 15 119.417 0.3 B 69 ARG H H 1 8.883 0.020 B 69 ARG HA H 1 3.827 0.020 B 69 ARG HBy H 1 1.818 0.020 B 69 ARG HBx H 1 1.450 0.020 B 69 ARG HDy H 1 3.168 0.020 B 69 ARG HDx H 1 2.902 0.020 B 69 ARG HGy H 1 1.562 0.020 B 69 ARG HGx H 1 1.400 0.020 B 69 ARG C C 13 174.885 0.3 B 69 ARG CA C 13 57.413 0.3 B 69 ARG CB C 13 31.844 0.3 B 69 ARG CD C 13 43.386 0.3 B 69 ARG CG C 13 27.085 0.3 B 69 ARG N N 15 124.603 0.3 B 70 GLY H H 1 8.195 0.020 B 70 GLY HAx H 1 2.829 0.020 B 70 GLY HAy H 1 3.168 0.020 B 70 GLY C C 13 172.954 0.3 B 70 GLY CA C 13 44.738 0.3 B 70 GLY N N 15 106.794 0.3 B 71 ILE H H 1 6.417 0.020 B 71 ILE HA H 1 4.040 0.020 B 71 ILE HB H 1 1.775 0.020 B 71 ILE HD1% H 1 0.353 0.020 B 71 ILE HG1x H 1 1.078 0.020 B 71 ILE HG1y H 1 1.415 0.020 B 71 ILE HG2% H 1 0.700 0.020 B 71 ILE C C 13 177.286 0.3 B 71 ILE CA C 13 57.744 0.3 B 71 ILE CB C 13 36.863 0.3 B 71 ILE CD1 C 13 9.811 0.3 B 71 ILE CG1 C 13 28.455 0.3 B 71 ILE CG2 C 13 18.590 0.3 B 71 ILE N N 15 118.183 0.3 B 72 ASP H H 1 8.955 0.020 B 72 ASP HA H 1 4.927 0.020 B 72 ASP HB3 H 1 2.473 0.020 B 72 ASP C C 13 175.838 0.3 B 72 ASP CA C 13 53.182 0.3 B 72 ASP CB C 13 39.713 0.3 B 72 ASP N N 15 123.964 0.3 B 73 SER H H 1 8.317 0.020 B 73 SER HA H 1 4.852 0.020 B 73 SER HBx H 1 3.929 0.020 B 73 SER HBy H 1 4.227 0.020 B 73 SER C C 13 174.862 0.3 B 73 SER CA C 13 59.641 0.3 B 73 SER CB C 13 63.625 0.3 B 73 SER N N 15 124.899 0.3 B 74 LYS H H 1 7.999 0.020 B 74 LYS HA H 1 4.014 0.020 B 74 LYS HBx H 1 1.448 0.020 B 74 LYS HBy H 1 1.718 0.020 B 74 LYS HDy H 1 1.594 0.020 B 74 LYS HDx H 1 1.448 0.020 B 74 LYS HEy H 1 2.937 0.020 B 74 LYS HEx H 1 2.861 0.020 B 74 LYS HGx H 1 0.985 0.020 B 74 LYS HGy H 1 1.221 0.020 B 74 LYS C C 13 177.471 0.3 B 74 LYS CA C 13 58.456 0.3 B 74 LYS CB C 13 31.936 0.3 B 74 LYS CD C 13 29.131 0.3 B 74 LYS CE C 13 42.210 0.3 B 74 LYS CG C 13 24.797 0.3 B 74 LYS N N 15 120.846 0.3 B 75 HIS H H 1 6.947 0.020 B 75 HIS HA H 1 4.523 0.020 B 75 HIS HBx H 1 2.399 0.020 B 75 HIS HBy H 1 2.489 0.020 B 75 HIS HD2 H 1 6.994 0.020 B 75 HIS HE1 H 1 7.822 0.020 B 75 HIS C C 13 174.601 0.3 B 75 HIS CA C 13 56.890 0.3 B 75 HIS CB C 13 32.627 0.3 B 75 HIS CD2 C 13 121.697 0.3 B 75 HIS CE1 C 13 138.207 0.3 B 75 HIS N N 15 111.803 0.3 B 76 TRP H H 1 7.800 0.020 B 76 TRP HA H 1 5.298 0.020 B 76 TRP HBy H 1 3.285 0.020 B 76 TRP HBx H 1 2.707 0.020 B 76 TRP HD1 H 1 6.798 0.020 B 76 TRP HE1 H 1 10.432 0.020 B 76 TRP HE3 H 1 5.750 0.020 B 76 TRP HH2 H 1 7.591 0.020 B 76 TRP HZ2 H 1 7.313 0.020 B 76 TRP HZ3 H 1 5.898 0.020 B 76 TRP C C 13 177.100 0.3 B 76 TRP CA C 13 56.121 0.3 B 76 TRP CB C 13 32.664 0.3 B 76 TRP CD1 C 13 123.828 0.3 B 76 TRP CE3 C 13 118.420 0.3 B 76 TRP CH2 C 13 120.975 0.3 B 76 TRP CZ2 C 13 114.134 0.3 B 76 TRP CZ3 C 13 116.299 0.3 B 76 TRP N N 15 118.977 0.3 B 76 TRP NE1 N 15 128.324 0.3 B 77 ASN H H 1 9.290 0.020 B 77 ASN HA H 1 5.154 0.020 B 77 ASN HBy H 1 2.904 0.020 B 77 ASN HBx H 1 2.808 0.020 B 77 ASN HD21 H 1 7.516 0.020 B 77 ASN HD22 H 1 7.093 0.020 B 77 ASN C C 13 174.552 0.3 B 77 ASN CA C 13 52.703 0.3 B 77 ASN CB C 13 40.262 0.3 B 77 ASN N N 15 121.796 0.3 B 77 ASN ND2 N 15 114.357 0.3 B 78 SER H H 1 8.771 0.020 B 78 SER HA H 1 5.763 0.020 B 78 SER HBy H 1 4.007 0.020 B 78 SER HBx H 1 3.845 0.020 B 78 SER C C 13 172.033 0.3 B 78 SER CA C 13 58.320 0.3 B 78 SER CB C 13 67.571 0.3 B 78 SER N N 15 113.973 0.3 B 79 TYR H H 1 8.319 0.020 B 79 TYR HA H 1 4.712 0.020 B 79 TYR HBx H 1 2.875 0.020 B 79 TYR HBy H 1 3.341 0.020 B 79 TYR HD1 H 1 6.834 0.020 B 79 TYR HE1 H 1 6.610 0.020 B 79 TYR C C 13 172.493 0.3 B 79 TYR CA C 13 57.222 0.3 B 79 TYR CB C 13 40.011 0.3 B 79 TYR CD1 C 13 133.896 0.3 B 79 TYR CE1 C 13 117.498 0.3 B 79 TYR N N 15 114.283 0.3 B 80 CYS H H 1 9.159 0.020 B 80 CYS HA H 1 5.365 0.020 B 80 CYS HBy H 1 3.303 0.020 B 80 CYS HBx H 1 3.070 0.020 B 80 CYS C C 13 174.468 0.3 B 80 CYS CA C 13 54.749 0.3 B 80 CYS CB C 13 43.524 0.3 B 80 CYS N N 15 119.506 0.3 B 81 THR H H 1 9.525 0.020 B 81 THR HA H 1 4.773 0.020 B 81 THR HB H 1 4.009 0.020 B 81 THR HG2% H 1 0.997 0.020 B 81 THR C C 13 171.902 0.3 B 81 THR CA C 13 60.503 0.3 B 81 THR CB C 13 71.318 0.3 B 81 THR CG2 C 13 21.373 0.3 B 81 THR N N 15 119.907 0.3 B 82 THR H H 1 7.918 0.020 B 82 THR HA H 1 5.389 0.020 B 82 THR HB H 1 4.153 0.020 B 82 THR HG2% H 1 1.396 0.020 B 82 THR C C 13 175.896 0.3 B 82 THR CA C 13 61.816 0.3 B 82 THR CB C 13 70.602 0.3 B 82 THR CG2 C 13 23.479 0.3 B 82 THR N N 15 120.867 0.3 B 83 THR H H 1 8.395 0.020 B 83 THR HA H 1 4.642 0.020 B 83 THR HB H 1 4.087 0.020 B 83 THR HG2% H 1 0.982 0.020 B 83 THR C C 13 173.633 0.3 B 83 THR CA C 13 60.166 0.3 B 83 THR CB C 13 70.159 0.3 B 83 THR CG2 C 13 22.176 0.3 B 83 THR N N 15 117.194 0.3 B 84 HIS H H 1 7.616 0.020 B 84 HIS HA H 1 5.669 0.020 B 84 HIS HBx H 1 2.792 0.020 B 84 HIS HBy H 1 2.977 0.020 B 84 HIS HD2 H 1 5.961 0.020 B 84 HIS HE1 H 1 7.900 0.020 B 84 HIS C C 13 175.069 0.3 B 84 HIS CA C 13 55.826 0.3 B 84 HIS CB C 13 34.658 0.3 B 84 HIS CD2 C 13 120.327 0.3 B 84 HIS CE1 C 13 138.044 0.3 B 84 HIS N N 15 116.791 0.3 B 85 THR H H 1 8.777 0.020 B 85 THR HA H 1 4.487 0.020 B 85 THR HB H 1 4.063 0.020 B 85 THR HG1 H 1 6.542 0.020 B 85 THR HG2% H 1 1.233 0.020 B 85 THR C C 13 171.936 0.3 B 85 THR CA C 13 58.773 0.3 B 85 THR CB C 13 70.342 0.3 B 85 THR CG2 C 13 19.760 0.3 B 85 THR N N 15 114.317 0.3 B 86 PHE H H 1 7.669 0.020 B 86 PHE HA H 1 5.912 0.020 B 86 PHE HBy H 1 2.909 0.020 B 86 PHE HBx H 1 2.440 0.020 B 86 PHE HD1 H 1 6.012 0.020 B 86 PHE HE1 H 1 6.880 0.020 B 86 PHE HZ H 1 7.310 0.020 B 86 PHE C C 13 175.201 0.3 B 86 PHE CA C 13 56.300 0.3 B 86 PHE CB C 13 43.384 0.3 B 86 PHE CD1 C 13 131.546 0.3 B 86 PHE CE1 C 13 130.014 0.3 B 86 PHE CZ C 13 131.074 0.3 B 86 PHE N N 15 118.129 0.3 B 87 VAL H H 1 9.317 0.020 B 87 VAL HA H 1 5.131 0.020 B 87 VAL HB H 1 2.515 0.020 B 87 VAL HGx% H 1 1.464 0.020 B 87 VAL HGy% H 1 1.274 0.020 B 87 VAL C C 13 174.504 0.3 B 87 VAL CA C 13 59.853 0.3 B 87 VAL CB C 13 36.047 0.3 B 87 VAL CG1 C 13 22.593 0.3 B 87 VAL CG2 C 13 21.132 0.3 B 87 VAL N N 15 117.623 0.3 B 88 LYS H H 1 9.110 0.020 B 88 LYS HA H 1 4.280 0.020 B 88 LYS HB3 H 1 1.425 0.020 B 88 LYS HD3 H 1 1.660 0.020 B 88 LYS HE3 H 1 2.938 0.020 B 88 LYS HG3 H 1 1.395 0.020 B 88 LYS C C 13 174.170 0.3 B 88 LYS CA C 13 56.900 0.3 B 88 LYS CB C 13 32.919 0.3 B 88 LYS CD C 13 28.979 0.3 B 88 LYS CE C 13 41.905 0.3 B 88 LYS CG C 13 23.632 0.3 B 88 LYS N N 15 127.686 0.3 B 89 ALA H H 1 8.310 0.020 B 89 ALA HA H 1 4.288 0.020 B 89 ALA HB% H 1 1.257 0.020 B 89 ALA C C 13 177.281 0.3 B 89 ALA CA C 13 52.372 0.3 B 89 ALA CB C 13 19.236 0.3 B 89 ALA N N 15 126.160 0.3 B 90 LEU H H 1 8.211 0.020 B 90 LEU HA H 1 4.792 0.020 B 90 LEU HBx H 1 1.683 0.020 B 90 LEU HBy H 1 1.918 0.020 B 90 LEU HDx% H 1 0.651 0.020 B 90 LEU HDy% H 1 0.066 0.020 B 90 LEU HG H 1 1.075 0.020 B 90 LEU C C 13 177.111 0.3 B 90 LEU CA C 13 54.354 0.3 B 90 LEU CB C 13 41.495 0.3 B 90 LEU CD1 C 13 26.736 0.3 B 90 LEU CD2 C 13 21.123 0.3 B 90 LEU CG C 13 27.341 0.3 B 90 LEU N N 15 123.079 0.3 B 91 THR H H 1 8.459 0.020 B 91 THR HA H 1 5.403 0.020 B 91 THR HB H 1 4.114 0.020 B 91 THR HG2% H 1 1.013 0.020 B 91 THR CA C 13 59.399 0.3 B 91 THR CB C 13 75.396 0.3 B 91 THR CG2 C 13 21.754 0.3 B 92 THR H H 1 9.071 0.020 B 92 THR HA H 1 4.938 0.020 B 92 THR HB H 1 3.901 0.020 B 92 THR HG2% H 1 1.049 0.020 B 92 THR C C 13 172.258 0.3 B 92 THR CA C 13 60.987 0.3 B 92 THR CB C 13 70.643 0.3 B 92 THR CG2 C 13 21.321 0.3 B 92 THR N N 15 111.790 0.3 B 93 ASP H H 1 7.658 0.020 B 93 ASP HA H 1 5.017 0.020 B 93 ASP HB3 H 1 2.510 0.020 B 93 ASP C C 13 176.260 0.3 B 93 ASP CA C 13 53.069 0.3 B 93 ASP CB C 13 41.716 0.3 B 93 ASP N N 15 125.210 0.3 B 94 GLU H H 1 8.997 0.020 B 94 GLU HA H 1 3.986 0.020 B 94 GLU HB3 H 1 2.154 0.020 B 94 GLU HGx H 1 2.222 0.020 B 94 GLU HGy H 1 2.323 0.020 B 94 GLU C C 13 175.926 0.3 B 94 GLU CA C 13 58.721 0.3 B 94 GLU CB C 13 28.221 0.3 B 94 GLU CG C 13 36.347 0.3 B 94 GLU N N 15 119.292 0.3 B 95 LYS H H 1 8.468 0.020 B 95 LYS HA H 1 4.268 0.020 B 95 LYS HBx H 1 1.718 0.020 B 95 LYS HBy H 1 1.911 0.020 B 95 LYS HD3 H 1 1.667 0.020 B 95 LYS HEy H 1 2.940 0.020 B 95 LYS HEx H 1 2.864 0.020 B 95 LYS HG3 H 1 1.356 0.020 B 95 LYS C C 13 176.814 0.3 B 95 LYS CA C 13 57.578 0.3 B 95 LYS CB C 13 33.468 0.3 B 95 LYS CD C 13 28.991 0.3 B 95 LYS CE C 13 42.035 0.3 B 95 LYS CG C 13 24.783 0.3 B 95 LYS N N 15 117.081 0.3 B 96 GLN H H 1 8.633 0.020 B 96 GLN HA H 1 4.609 0.020 B 96 GLN HBy H 1 2.064 0.020 B 96 GLN HBx H 1 2.014 0.020 B 96 GLN HE21 H 1 7.558 0.020 B 96 GLN HE22 H 1 6.850 0.020 B 96 GLN HG3 H 1 2.268 0.020 B 96 GLN C C 13 175.045 0.3 B 96 GLN CA C 13 55.211 0.3 B 96 GLN CB C 13 31.005 0.3 B 96 GLN CG C 13 33.315 0.3 B 96 GLN N N 15 118.660 0.3 B 96 GLN NE2 N 15 112.169 0.3 B 97 ALA H H 1 8.751 0.020 B 97 ALA HA H 1 4.574 0.020 B 97 ALA HB% H 1 1.259 0.020 B 97 ALA C C 13 177.134 0.3 B 97 ALA CA C 13 51.268 0.3 B 97 ALA CB C 13 18.723 0.3 B 97 ALA N N 15 130.225 0.3 B 98 ALA H H 1 9.053 0.020 B 98 ALA HA H 1 5.199 0.020 B 98 ALA HB% H 1 1.269 0.020 B 98 ALA C C 13 177.198 0.3 B 98 ALA CA C 13 51.548 0.3 B 98 ALA CB C 13 22.091 0.3 B 98 ALA N N 15 123.339 0.3 B 99 TRP H H 1 8.301 0.020 B 99 TRP HA H 1 4.673 0.020 B 99 TRP HBy H 1 3.054 0.020 B 99 TRP HBx H 1 2.965 0.020 B 99 TRP HD1 H 1 7.109 0.020 B 99 TRP HE1 H 1 10.140 0.020 B 99 TRP HE3 H 1 7.200 0.020 B 99 TRP HH2 H 1 7.564 0.020 B 99 TRP HZ2 H 1 7.144 0.020 B 99 TRP HZ3 H 1 6.794 0.020 B 99 TRP C C 13 176.862 0.3 B 99 TRP CA C 13 57.729 0.3 B 99 TRP CB C 13 30.654 0.3 B 99 TRP CD1 C 13 127.555 0.3 B 99 TRP CE3 C 13 124.700 0.3 B 99 TRP CH2 C 13 120.950 0.3 B 99 TRP CZ2 C 13 113.945 0.3 B 99 TRP CZ3 C 13 124.721 0.3 B 99 TRP N N 15 117.414 0.3 B 99 TRP NE1 N 15 129.602 0.3 B 100 ARG H H 1 7.806 0.020 B 100 ARG HA H 1 4.090 0.020 B 100 ARG HBy H 1 1.743 0.020 B 100 ARG HBx H 1 1.556 0.020 B 100 ARG HDy H 1 2.880 0.020 B 100 ARG HDx H 1 2.748 0.020 B 100 ARG HGy H 1 1.498 0.020 B 100 ARG HGx H 1 1.410 0.020 B 100 ARG C C 13 175.528 0.3 B 100 ARG CA C 13 56.884 0.3 B 100 ARG CB C 13 30.726 0.3 B 100 ARG CD C 13 42.828 0.3 B 100 ARG CG C 13 27.090 0.3 B 100 ARG N N 15 124.895 0.3 B 101 PHE H H 1 9.245 0.020 B 101 PHE HA H 1 4.919 0.020 B 101 PHE HBx H 1 2.815 0.020 B 101 PHE HBy H 1 2.886 0.020 B 101 PHE HD1 H 1 7.214 0.020 B 101 PHE HE1 H 1 7.308 0.020 B 101 PHE HZ H 1 7.163 0.020 B 101 PHE C C 13 175.719 0.3 B 101 PHE CA C 13 59.780 0.3 B 101 PHE CB C 13 40.527 0.3 B 101 PHE CD1 C 13 131.732 0.3 B 101 PHE CE1 C 13 131.445 0.3 B 101 PHE CZ C 13 130.117 0.3 B 101 PHE N N 15 120.553 0.3 B 102 ILE H H 1 9.416 0.020 B 102 ILE HA H 1 5.167 0.020 B 102 ILE HB H 1 1.597 0.020 B 102 ILE HD1% H 1 0.094 0.020 B 102 ILE HG1x H 1 1.169 0.020 B 102 ILE HG1y H 1 1.374 0.020 B 102 ILE HG2% H 1 0.586 0.020 B 102 ILE C C 13 174.660 0.3 B 102 ILE CA C 13 59.058 0.3 B 102 ILE CB C 13 41.631 0.3 B 102 ILE CD1 C 13 14.123 0.3 B 102 ILE CG1 C 13 24.758 0.3 B 102 ILE CG2 C 13 17.832 0.3 B 102 ILE N N 15 116.472 0.3 B 103 ARG H H 1 8.474 0.020 B 103 ARG HA H 1 4.554 0.020 B 103 ARG HBx H 1 1.456 0.020 B 103 ARG HBy H 1 1.744 0.020 B 103 ARG HDx H 1 2.701 0.020 B 103 ARG HDy H 1 2.753 0.020 B 103 ARG HGx H 1 1.370 0.020 B 103 ARG HGy H 1 1.566 0.020 B 103 ARG C C 13 174.341 0.3 B 103 ARG CA C 13 55.736 0.3 B 103 ARG CB C 13 31.681 0.3 B 103 ARG CD C 13 42.800 0.3 B 103 ARG CG C 13 27.286 0.3 B 103 ARG N N 15 122.176 0.3 B 104 ILE H H 1 8.298 0.020 B 104 ILE HA H 1 4.546 0.020 B 104 ILE HB H 1 1.842 0.020 B 104 ILE HD1% H 1 0.653 0.020 B 104 ILE HG1y H 1 1.333 0.020 B 104 ILE HG1x H 1 1.226 0.020 B 104 ILE HG2% H 1 0.859 0.020 B 104 ILE C C 13 175.044 0.3 B 104 ILE CA C 13 58.071 0.3 B 104 ILE CB C 13 41.122 0.3 B 104 ILE CD1 C 13 11.887 0.3 B 104 ILE CG1 C 13 26.763 0.3 B 104 ILE CG2 C 13 17.703 0.3 B 104 ILE N N 15 122.791 0.3 B 105 ASP H H 1 8.886 0.020 B 105 ASP HA H 1 4.767 0.020 B 105 ASP HBx H 1 2.435 0.020 B 105 ASP HBy H 1 2.878 0.020 B 105 ASP C C 13 176.957 0.3 B 105 ASP CA C 13 56.129 0.3 B 105 ASP CB C 13 41.293 0.3 B 105 ASP N N 15 128.660 0.3 B 106 THR H H 1 9.214 0.020 B 106 THR HA H 1 5.109 0.020 B 106 THR HB H 1 3.959 0.020 B 106 THR HG2% H 1 0.978 0.020 B 106 THR C C 13 173.147 0.3 B 106 THR CA C 13 60.768 0.3 B 106 THR CB C 13 73.953 0.3 B 106 THR CG2 C 13 21.421 0.3 B 106 THR N N 15 115.844 0.3 B 107 ALA H H 1 7.486 0.020 B 107 ALA HA H 1 4.007 0.020 B 107 ALA HB% H 1 0.971 0.020 B 107 ALA C C 13 173.476 0.3 B 107 ALA CA C 13 51.909 0.3 B 107 ALA CB C 13 22.056 0.3 B 107 ALA N N 15 121.885 0.3 B 108 CYS H H 1 8.448 0.020 B 108 CYS HA H 1 5.110 0.020 B 108 CYS HBx H 1 2.870 0.020 B 108 CYS HBy H 1 3.180 0.020 B 108 CYS C C 13 173.463 0.3 B 108 CYS CA C 13 55.019 0.3 B 108 CYS CB C 13 41.084 0.3 B 108 CYS N N 15 119.610 0.3 B 109 VAL H H 1 9.358 0.020 B 109 VAL HA H 1 4.496 0.020 B 109 VAL HB H 1 2.242 0.020 B 109 VAL HGx% H 1 0.717 0.020 B 109 VAL HGy% H 1 1.020 0.020 B 109 VAL C C 13 172.894 0.3 B 109 VAL CA C 13 59.236 0.3 B 109 VAL CB C 13 35.228 0.3 B 109 VAL CG1 C 13 21.476 0.3 B 109 VAL CG2 C 13 19.515 0.3 B 109 VAL N N 15 120.845 0.3 B 110 CYS H H 1 7.536 0.020 B 110 CYS HA H 1 4.930 0.020 B 110 CYS HBx H 1 2.883 0.020 B 110 CYS HBy H 1 2.973 0.020 B 110 CYS C C 13 173.791 0.3 B 110 CYS CA C 13 56.258 0.3 B 110 CYS CB C 13 42.223 0.3 B 110 CYS N N 15 119.289 0.3 B 111 VAL H H 1 8.994 0.020 B 111 VAL HA H 1 4.209 0.020 B 111 VAL HB H 1 1.116 0.020 B 111 VAL HGx% H 1 0.440 0.020 B 111 VAL HGy% H 1 0.713 0.020 B 111 VAL C C 13 175.899 0.3 B 111 VAL CA C 13 61.467 0.3 B 111 VAL CB C 13 33.550 0.3 B 111 VAL CG1 C 13 20.871 0.3 B 111 VAL CG2 C 13 21.764 0.3 B 111 VAL N N 15 131.783 0.3 B 112 LEU H H 1 8.411 0.020 B 112 LEU HA H 1 5.191 0.020 B 112 LEU HBx H 1 1.220 0.020 B 112 LEU HBy H 1 1.343 0.020 B 112 LEU HDx% H 1 -0.409 0.020 B 112 LEU HDy% H 1 0.320 0.020 B 112 LEU HG H 1 1.050 0.020 B 112 LEU C C 13 177.433 0.3 B 112 LEU CA C 13 53.353 0.3 B 112 LEU CB C 13 46.753 0.3 B 112 LEU CD1 C 13 24.422 0.3 B 112 LEU CD2 C 13 23.393 0.3 B 112 LEU CG C 13 26.469 0.3 B 112 LEU N N 15 121.655 0.3 B 113 SER H H 1 8.607 0.020 B 113 SER HA H 1 4.990 0.020 B 113 SER HB3 H 1 3.921 0.020 B 113 SER C C 13 175.695 0.3 B 113 SER CA C 13 57.776 0.3 B 113 SER CB C 13 65.801 0.3 B 113 SER N N 15 111.489 0.3 B 114 ARG H H 1 9.306 0.020 B 114 ARG HA H 1 4.118 0.020 B 114 ARG HB3 H 1 1.456 0.020 B 114 ARG HDy H 1 2.499 0.020 B 114 ARG HDx H 1 2.450 0.020 B 114 ARG HG3 H 1 1.087 0.020 B 114 ARG CA C 13 57.824 0.3 B 114 ARG CB C 13 31.569 0.3 B 114 ARG CD C 13 43.600 0.3 B 114 ARG CG C 13 27.326 0.3 B 114 ARG N N 15 126.216 0.3 B 115 LYS H H 1 7.680 0.020 B 115 LYS HA H 1 4.290 0.020 B 115 LYS HBx H 1 1.330 0.020 B 115 LYS HBy H 1 1.603 0.020 B 115 LYS HDx H 1 1.451 0.020 B 115 LYS HDy H 1 1.590 0.020 B 115 LYS HE3 H 1 2.869 0.020 B 115 LYS HG3 H 1 1.231 0.020 B 115 LYS C C 13 176.029 0.3 B 115 LYS CA C 13 56.844 0.3 B 115 LYS CB C 13 33.530 0.3 B 115 LYS CD C 13 29.296 0.3 B 115 LYS CE C 13 42.200 0.3 B 115 LYS CG C 13 25.870 0.3 B 115 LYS N N 15 122.407 0.3 B 116 ALA H H 1 8.391 0.020 B 116 ALA HA H 1 4.385 0.020 B 116 ALA HB% H 1 1.378 0.020 B 116 ALA C C 13 177.581 0.3 B 116 ALA CA C 13 52.238 0.3 B 116 ALA CB C 13 19.434 0.3 B 116 ALA N N 15 126.173 0.3 B 117 THR H H 1 8.117 0.020 B 117 THR HA H 1 4.295 0.020 B 117 THR HB H 1 4.232 0.020 B 117 THR HG2% H 1 1.171 0.020 B 117 THR C C 13 173.656 0.3 B 117 THR CA C 13 61.762 0.3 B 117 THR CB C 13 70.056 0.3 B 117 THR CG2 C 13 21.700 0.3 B 117 THR N N 15 114.276 0.3 B 118 ARG H H 1 7.906 0.020 B 118 ARG HA H 1 4.175 0.020 B 118 ARG HBy H 1 1.821 0.020 B 118 ARG HBx H 1 1.715 0.020 B 118 ARG HD3 H 1 3.175 0.020 B 118 ARG HG3 H 1 1.571 0.020 B 118 ARG C C 13 180.755 0.3 B 118 ARG CA C 13 57.526 0.3 B 118 ARG CB C 13 31.582 0.3 B 118 ARG CD C 13 43.537 0.3 B 118 ARG CG C 13 27.055 0.3 B 118 ARG N N 15 127.726 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 42 VAL HGy% A 42 VAL HGx% 1.0 0.000 6.000 2 2 B 42 VAL HGy% B 42 VAL HGx% 1.0 0.000 6.000 3 3 A 5 PRO HA A 6 VAL HGy% 1.0 1.945 4.721 4 4 B 5 PRO HA B 6 VAL HGy% 1.0 1.945 4.721 5 5 A 6 VAL HGy% A 6 VAL HGx% 1.0 0.000 6.000 6 6 B 6 VAL HGy% B 6 VAL HGx% 1.0 0.000 6.000 7 7 A 6 VAL HGy% A 6 VAL HB 1.0 1.372 2.146 8 8 B 6 VAL HGy% B 6 VAL HB 1.0 1.372 2.146 9 9 A 48 VAL HB A 48 VAL HGx% 1.0 1.343 2.071 10 10 B 48 VAL HB B 48 VAL HGx% 1.0 1.343 2.071 11 11 A 48 VAL HGx% A 48 VAL HA 1.0 1.770 3.518 12 12 B 48 VAL HGx% B 48 VAL HA 1.0 1.770 3.518 13 13 A 95 LYS HG3 A 96 GLN H 1.0 1.944 7.398 14 14 B 95 LYS HG3 B 96 GLN H 1.0 1.944 7.398 15 15 A 63 PRO HGx A 63 PRO HA 1.0 1.977 6.893 16 16 B 63 PRO HGx B 63 PRO HA 1.0 1.977 6.893 17 17 A 63 PRO HA A 63 PRO HDy 1.0 1.899 4.301 18 18 B 63 PRO HA B 63 PRO HDy 1.0 1.899 4.301 19 19 A 14 VAL HB A 14 VAL HGy% 1.0 1.589 2.783 20 20 B 14 VAL HB B 14 VAL HGy% 1.0 1.589 2.783 21 21 A 118 ARG HDx A 118 ARG HD3 1.0 1.285 1.931 22 22 B 118 ARG HDx B 118 ARG HD3 1.0 1.285 1.931 23 23 A 118 ARG HDx A 118 ARG HBy 1.0 1.945 7.389 24 24 B 118 ARG HDx B 118 ARG HBy 1.0 1.945 7.389 25 25 A 118 ARG HDx A 118 ARG HA 1.0 1.019 12.583 26 26 B 118 ARG HDx B 118 ARG HA 1.0 1.019 12.583 27 27 A 14 VAL HA A 69 ARG H 1.0 1.919 7.691 28 28 B 14 VAL HA B 69 ARG H 1.0 1.919 7.691 29 29 A 14 VAL HGy% A 14 VAL HGx% 1.0 0.000 6.000 30 30 B 14 VAL HGy% B 14 VAL HGx% 1.0 0.000 6.000 31 31 A 14 VAL HA A 14 VAL HGx% 1.0 1.660 3.042 32 32 B 14 VAL HA B 14 VAL HGx% 1.0 1.660 3.042 33 33 A 115 LYS HA A 115 LYS HBx 1.0 1.975 5.129 34 34 B 115 LYS HA B 115 LYS HBx 1.0 1.975 5.129 35 35 A 28 ALA HA A 29 THR HB 1.0 1.968 7.038 36 36 B 28 ALA HA B 29 THR HB 1.0 1.968 7.038 37 37 A 101 PHE HBx A 101 PHE HA 1.0 1.989 5.421 38 38 B 101 PHE HBx B 101 PHE HA 1.0 1.989 5.421 39 39 A 101 PHE HBx A 101 PHE HZ 1.0 1.895 7.941 40 40 B 101 PHE HBx B 101 PHE HZ 1.0 1.895 7.941 41 41 A 16 ASP HBx A 16 ASP HA 1.0 1.988 5.404 42 42 B 16 ASP HBx B 16 ASP HA 1.0 1.988 5.404 43 43 A 104 ILE HG1y A 104 ILE HA 1.0 1.990 6.584 44 44 B 104 ILE HG1y B 104 ILE HA 1.0 1.990 6.584 45 45 A 104 ILE HA A 104 ILE HG1x 1.0 1.993 6.477 46 46 B 104 ILE HA B 104 ILE HG1x 1.0 1.993 6.477 47 47 A 74 LYS HEy A 74 LYS HBy 1.0 1.661 3.047 48 48 B 74 LYS HEy B 74 LYS HBy 1.0 1.661 3.047 49 49 A 96 GLN HBx A 96 GLN HBy 1.0 1.263 1.881 50 50 B 96 GLN HBx B 96 GLN HBy 1.0 1.263 1.881 51 51 A 62 ASN HA A 63 PRO HBy 1.0 1.391 11.021 52 52 B 62 ASN HA B 63 PRO HBy 1.0 1.391 11.021 53 53 A 99 TRP HA A 99 TRP H 1.0 2.000 6.094 54 54 B 99 TRP HA B 99 TRP H 1.0 2.000 6.094 55 55 A 34 LYS HD3 A 34 LYS HBx 1.0 0.000 6.000 56 56 B 34 LYS HD3 B 34 LYS HBx 1.0 0.000 6.000 57 57 A 32 LYS HGx A 32 LYS HGy 1.0 1.244 1.836 58 58 B 32 LYS HGx B 32 LYS HGy 1.0 1.244 1.836 59 59 A 5 PRO HGx A 7 PHE HD1 1.0 1.179 11.945 60 60 B 5 PRO HGx B 7 PHE HD1 1.0 1.179 11.945 61 61 A 5 PRO HGx A 5 PRO HGy 1.0 1.305 1.979 62 62 B 5 PRO HGx B 5 PRO HGy 1.0 1.305 1.979 63 63 A 34 LYS HBy A 34 LYS HGx 1.0 1.639 2.961 64 64 B 34 LYS HBy B 34 LYS HGx 1.0 1.639 2.961 65 65 A 52 TYR HA A 52 TYR H 1.0 1.967 5.015 66 66 B 52 TYR HA B 52 TYR H 1.0 1.967 5.015 67 67 A 51 GLN HA A 51 GLN HE21 1.0 1.960 7.170 68 68 B 51 GLN HA B 51 GLN HE21 1.0 1.960 7.170 69 69 A 51 GLN HA A 51 GLN HG2 1.0 1.739 9.155 70 70 B 51 GLN HA B 51 GLN HG2 1.0 1.739 9.155 71 71 A 25 LYS HDy A 25 LYS HDx 1.0 1.223 1.789 72 72 B 25 LYS HDy B 25 LYS HDx 1.0 1.223 1.789 73 73 A 25 LYS HDy A 25 LYS HGy 1.0 1.479 2.439 74 74 B 25 LYS HDy B 25 LYS HGy 1.0 1.479 2.439 75 75 A 25 LYS HDy A 25 LYS HEy 1.0 1.923 4.501 76 76 B 25 LYS HDy B 25 LYS HEy 1.0 1.923 4.501 77 77 A 25 LYS HDy A 25 LYS HBx 1.0 0.000 6.000 78 78 B 25 LYS HDy B 25 LYS HBx 1.0 0.000 6.000 79 79 A 88 LYS HGx A 88 LYS HD3 1.0 1.709 3.237 80 80 B 88 LYS HGx B 88 LYS HD3 1.0 1.709 3.237 81 81 A 88 LYS HD3 A 88 LYS HA 1.0 1.960 7.172 82 82 B 88 LYS HD3 B 88 LYS HA 1.0 1.960 7.172 83 83 A 88 LYS HD3 A 88 LYS H 1.0 1.771 8.933 84 84 B 88 LYS HD3 B 88 LYS H 1.0 1.771 8.933 85 85 A 76 TRP HA A 76 TRP HD1 1.0 1.661 9.629 86 86 B 76 TRP HA B 76 TRP HD1 1.0 1.661 9.629 87 87 A 76 TRP HA A 76 TRP HBy 1.0 1.992 5.506 88 88 B 76 TRP HA B 76 TRP HBy 1.0 1.992 5.506 89 89 A 4 HIS HBy A 4 HIS HBx 1.0 1.276 1.910 90 90 B 4 HIS HBy B 4 HIS HBx 1.0 1.276 1.910 91 91 A 5 PRO HGx A 5 PRO HBx 1.0 1.873 4.109 92 92 B 5 PRO HGx B 5 PRO HBx 1.0 1.873 4.109 93 93 A 5 PRO HGy A 5 PRO HBx 1.0 1.930 4.574 94 94 B 5 PRO HGy B 5 PRO HBx 1.0 1.930 4.574 95 95 A 26 THR HG2% A 26 THR HA 1.0 1.903 4.337 96 96 B 26 THR HG2% B 26 THR HA 1.0 1.903 4.337 97 97 A 49 PHE HBx A 49 PHE HBy 1.0 1.495 2.483 98 98 B 49 PHE HBx B 49 PHE HBy 1.0 1.495 2.483 99 99 A 69 ARG HDx A 69 ARG HDy 1.0 1.569 2.717 100 100 B 69 ARG HDx B 69 ARG HDy 1.0 1.569 2.717 101 101 A 69 ARG H A 69 ARG HDx 1.0 0.884 13.092 102 102 B 69 ARG H B 69 ARG HDx 1.0 0.884 13.092 103 103 A 95 LYS HD3 A 95 LYS HEx 1.0 1.709 3.241 104 104 B 95 LYS HD3 B 95 LYS HEx 1.0 1.709 3.241 105 105 A 95 LYS HD3 A 95 LYS HBx 1.0 0.000 6.000 106 106 B 95 LYS HD3 B 95 LYS HBx 1.0 0.000 6.000 107 107 A 103 ARG HA A 86 PHE HE1 1.0 1.790 8.800 108 108 B 103 ARG HA B 86 PHE HE1 1.0 1.790 8.800 109 109 A 103 ARG HA A 103 ARG HBy 1.0 1.936 4.632 110 110 B 103 ARG HA B 103 ARG HBy 1.0 1.936 4.632 111 111 A 103 ARG HA A 103 ARG HBx 1.0 1.999 5.793 112 112 B 103 ARG HA B 103 ARG HBx 1.0 1.999 5.793 113 113 A 103 ARG HA A 103 ARG HDy 1.0 1.383 11.057 114 114 B 103 ARG HA B 103 ARG HDy 1.0 1.383 11.057 115 115 A 103 ARG HA A 103 ARG HDx 1.0 1.857 8.281 116 116 B 103 ARG HA B 103 ARG HDx 1.0 1.857 8.281 117 117 A 103 ARG HA A 103 ARG HGx 1.0 1.768 8.956 118 118 B 103 ARG HA B 103 ARG HGx 1.0 1.768 8.956 119 119 A 85 THR HB A 84 HIS H 1.0 1.951 7.309 120 120 B 85 THR HB B 84 HIS H 1.0 1.951 7.309 121 121 A 57 LYS HBx A 57 LYS HA 1.0 1.921 4.487 122 122 B 57 LYS HBx B 57 LYS HA 1.0 1.921 4.487 123 123 A 10 GLY HAy A 12 PHE HE1 1.0 0.963 12.797 124 124 B 10 GLY HAy B 12 PHE HE1 1.0 0.963 12.797 125 125 A 10 GLY HAy A 10 GLY HAx 1.0 1.202 1.746 126 126 B 10 GLY HAy B 10 GLY HAx 1.0 1.202 1.746 127 127 A 9 MET HBx A 9 MET H 1.0 1.932 7.554 128 128 B 9 MET HBx B 9 MET H 1.0 1.932 7.554 129 129 A 115 LYS HA A 115 LYS HE3 1.0 1.838 8.440 130 130 B 115 LYS HA B 115 LYS HE3 1.0 1.838 8.440 131 131 A 115 LYS HBx A 115 LYS HE3 1.0 1.619 2.887 132 132 B 115 LYS HBx B 115 LYS HE3 1.0 1.619 2.887 133 133 A 115 LYS HE3 A 115 LYS HDy 1.0 1.508 2.524 134 134 B 115 LYS HE3 B 115 LYS HDy 1.0 1.508 2.524 135 135 A 115 LYS HE3 A 115 LYS HBy 1.0 1.402 2.222 136 136 B 115 LYS HE3 B 115 LYS HBy 1.0 1.402 2.222 137 137 A 115 LYS HE3 A 115 LYS HGx 1.0 1.958 4.880 138 138 B 115 LYS HE3 B 115 LYS HGx 1.0 1.958 4.880 139 139 A 114 ARG HA A 114 ARG HG3 1.0 1.998 5.744 140 140 B 114 ARG HA B 114 ARG HG3 1.0 1.998 5.744 141 141 A 114 ARG HA A 114 ARG HB3 1.0 1.998 5.766 142 142 B 114 ARG HA B 114 ARG HB3 1.0 1.998 5.766 143 143 A 100 ARG HBx A 100 ARG HBy 1.0 1.390 2.190 144 144 B 100 ARG HBx B 100 ARG HBy 1.0 1.390 2.190 145 145 A 100 ARG HBy A 100 ARG HGx 1.0 1.712 3.250 146 146 B 100 ARG HBy B 100 ARG HGx 1.0 1.712 3.250 147 147 A 21 TRP HBx A 21 TRP HBy 1.0 1.415 2.259 148 148 B 21 TRP HBx B 21 TRP HBy 1.0 1.415 2.259 149 149 A 91 THR HG2% A 38 VAL H 1.0 1.946 4.738 150 150 B 91 THR HG2% B 38 VAL H 1.0 1.946 4.738 151 151 A 91 THR HG2% A 91 THR HB 1.0 1.483 2.449 152 152 B 91 THR HG2% B 91 THR HB 1.0 1.483 2.449 153 153 A 103 ARG HBy A 103 ARG HBx 1.0 1.417 2.265 154 154 B 103 ARG HBy B 103 ARG HBx 1.0 1.417 2.265 155 155 A 45 ASN HBx A 45 ASN HA 1.0 1.999 6.123 156 156 B 45 ASN HBx B 45 ASN HA 1.0 1.999 6.123 157 157 A 45 ASN HBx A 47 SER H 1.0 1.172 11.976 158 158 B 45 ASN HBx B 47 SER H 1.0 1.172 11.976 159 159 A 64 VAL HA A 65 GLU HB3 1.0 1.827 8.525 160 160 B 64 VAL HA B 65 GLU HB3 1.0 1.827 8.525 161 161 A 87 VAL HGy% A 87 VAL HGx% 1.0 0.000 6.000 162 162 B 87 VAL HGy% B 87 VAL HGx% 1.0 0.000 6.000 163 163 A 81 THR HB A 81 THR HG2% 1.0 1.606 2.842 164 164 B 81 THR HB B 81 THR HG2% 1.0 1.606 2.842 165 165 A 57 LYS HA A 57 LYS HBy 1.0 1.968 5.010 166 166 B 57 LYS HA B 57 LYS HBy 1.0 1.968 5.010 167 167 A 81 THR HB A 81 THR HA 1.0 1.935 4.625 168 168 B 81 THR HB B 81 THR HA 1.0 1.935 4.625 169 169 A 30 ASP HA A 102 ILE HG1y 1.0 1.953 7.283 170 170 B 30 ASP HA B 102 ILE HG1y 1.0 1.953 7.283 171 171 A 50 ARG HB3 A 50 ARG HA 1.0 1.981 5.225 172 172 B 50 ARG HB3 B 50 ARG HA 1.0 1.981 5.225 173 173 A 50 ARG HA A 42 VAL H 1.0 1.877 8.105 174 174 B 50 ARG HA B 42 VAL H 1.0 1.877 8.105 175 175 A 35 GLU HA A 29 THR HA 1.0 1.900 4.316 176 176 B 35 GLU HA B 29 THR HA 1.0 1.900 4.316 177 177 A 63 PRO HGx A 63 PRO HBx 1.0 1.968 5.008 178 178 B 63 PRO HGx B 63 PRO HBx 1.0 1.968 5.008 179 179 A 65 GLU HB3 A 64 VAL HGx% 1.0 1.821 8.575 180 180 B 65 GLU HB3 B 64 VAL HGx% 1.0 1.821 8.575 181 181 A 22 VAL HA A 22 VAL HGx% 1.0 1.651 3.007 182 182 B 22 VAL HA B 22 VAL HGx% 1.0 1.651 3.007 183 183 A 22 VAL HGx% A 22 VAL HGy% 1.0 0.000 6.000 184 184 B 22 VAL HGx% B 22 VAL HGy% 1.0 0.000 6.000 185 185 A 102 ILE HG1y A 102 ILE HB 1.0 0.000 6.000 186 186 B 102 ILE HG1y B 102 ILE HB 1.0 0.000 6.000 187 187 A 68 CYS HA A 68 CYS HBx 1.0 1.984 5.300 188 188 B 68 CYS HA B 68 CYS HBx 1.0 1.984 5.300 189 189 A 47 SER HBx A 47 SER HA 1.0 1.974 5.110 190 190 B 47 SER HBx B 47 SER HA 1.0 1.974 5.110 191 191 A 47 SER HA A 47 SER HBy 1.0 1.924 4.514 192 192 B 47 SER HA B 47 SER HBy 1.0 1.924 4.514 193 193 A 27 THR HB A 37 THR HA 1.0 1.985 6.707 194 194 B 27 THR HB B 37 THR HA 1.0 1.985 6.707 195 195 A 12 PHE HBx A 12 PHE HZ 1.0 1.555 10.221 196 196 B 12 PHE HBx B 12 PHE HZ 1.0 1.555 10.221 197 197 A 18 VAL HA A 17 SER HA 1.0 1.999 5.917 198 198 B 18 VAL HA B 17 SER HA 1.0 1.999 5.917 199 199 A 17 SER HA A 58 CYS HA 1.0 1.867 4.069 200 200 B 17 SER HA B 58 CYS HA 1.0 1.867 4.069 201 201 A 76 TRP HA A 112 LEU HDx% 1.0 1.876 8.114 202 202 B 76 TRP HA B 112 LEU HDx% 1.0 1.876 8.114 203 203 A 112 LEU HDx% A 76 TRP HE3 1.0 1.831 8.491 204 204 B 112 LEU HDx% B 76 TRP HE3 1.0 1.831 8.491 205 205 A 112 LEU HDx% A 71 ILE HD1% 1.0 1.311 1.993 206 206 B 112 LEU HDx% B 71 ILE HD1% 1.0 1.311 1.993 207 207 A 112 LEU HDx% A 112 LEU HBy 1.0 1.799 3.663 208 208 B 112 LEU HDx% B 112 LEU HBy 1.0 1.799 3.663 209 209 A 55 GLU HGx A 105 ASP H 1.0 1.889 7.995 210 210 B 55 GLU HGx B 105 ASP H 1.0 1.889 7.995 211 211 A 55 GLU HGx A 55 GLU HBy 1.0 1.919 4.473 212 212 B 55 GLU HGx B 55 GLU HBy 1.0 1.919 4.473 213 213 A 11 GLU HA A 11 GLU HB3 1.0 1.998 5.766 214 214 B 11 GLU HA B 11 GLU HB3 1.0 1.998 5.766 215 215 A 11 GLU HA A 11 GLU HGx 1.0 1.988 6.620 216 216 B 11 GLU HA B 11 GLU HGx 1.0 1.988 6.620 217 217 A 67 GLY HAx A 67 GLY HAy 1.0 1.695 3.181 218 218 B 67 GLY HAx B 67 GLY HAy 1.0 1.695 3.181 219 219 A 9 MET HBx A 9 MET HE% 1.0 0.000 6.000 220 220 B 9 MET HBx B 9 MET HE% 1.0 0.000 6.000 221 221 A 9 MET HE% A 8 HIS HD2 1.0 1.677 9.539 222 222 B 9 MET HE% B 8 HIS HD2 1.0 1.677 9.539 223 223 A 9 MET HE% A 12 PHE HD1 1.0 1.782 8.856 224 224 B 9 MET HE% B 12 PHE HD1 1.0 1.782 8.856 225 225 A 9 MET H A 9 MET HE% 1.0 1.753 9.061 226 226 B 9 MET H B 9 MET HE% 1.0 1.753 9.061 227 227 A 9 MET HE% A 9 MET HBy 1.0 0.000 6.000 228 228 B 9 MET HE% B 9 MET HBy 1.0 0.000 6.000 229 229 A 113 SER HB3 A 112 LEU HBx 1.0 1.653 9.683 230 230 B 113 SER HB3 B 112 LEU HBx 1.0 1.653 9.683 231 231 A 113 SER HB3 A 77 ASN H 1.0 1.806 8.686 232 232 B 113 SER HB3 B 77 ASN H 1.0 1.806 8.686 233 233 A 104 ILE HG1y A 104 ILE HG1x 1.0 1.234 1.816 234 234 B 104 ILE HG1y B 104 ILE HG1x 1.0 1.234 1.816 235 235 A 88 LYS HGx A 88 LYS HA 1.0 1.908 7.808 236 236 B 88 LYS HGx B 88 LYS HA 1.0 1.908 7.808 237 237 A 88 LYS HA A 88 LYS HG3 1.0 1.963 4.947 238 238 B 88 LYS HA B 88 LYS HG3 1.0 1.963 4.947 239 239 A 88 LYS HA A 88 LYS HB3 1.0 1.958 4.880 240 240 B 88 LYS HA B 88 LYS HB3 1.0 1.958 4.880 241 241 A 17 SER HA A 18 VAL HGx% 1.0 2.000 5.948 242 242 B 17 SER HA B 18 VAL HGx% 1.0 2.000 5.948 243 243 A 18 VAL HGx% A 19 SER HBx 1.0 1.999 6.139 244 244 B 18 VAL HGx% B 19 SER HBx 1.0 1.999 6.139 245 245 A 36 VAL HB A 36 VAL HGx% 1.0 1.514 2.544 246 246 B 36 VAL HB B 36 VAL HGx% 1.0 1.514 2.544 247 247 A 36 VAL HGx% A 92 THR H 1.0 1.999 6.093 248 248 B 36 VAL HGx% B 92 THR H 1.0 1.999 6.093 249 249 A 36 VAL HGx% A 30 ASP HBx 1.0 1.994 5.562 250 250 B 36 VAL HGx% B 30 ASP HBx 1.0 1.994 5.562 251 251 A 36 VAL HGx% A 36 VAL HGy% 1.0 0.000 6.000 252 252 B 36 VAL HGx% B 36 VAL HGy% 1.0 0.000 6.000 253 253 A 33 GLY HAx A 29 THR HG2% 1.0 1.999 6.053 254 254 B 33 GLY HAx B 29 THR HG2% 1.0 1.999 6.053 255 255 A 29 THR HG2% A 35 GLU HB3 1.0 0.000 6.000 256 256 B 29 THR HG2% B 35 GLU HB3 1.0 0.000 6.000 257 257 A 62 ASN HBx A 62 ASN HBy 1.0 1.413 2.253 258 258 B 62 ASN HBx B 62 ASN HBy 1.0 1.413 2.253 259 259 A 112 LEU HA A 78 SER HA 1.0 1.978 5.174 260 260 B 112 LEU HA B 78 SER HA 1.0 1.978 5.174 261 261 A 112 LEU HBy A 112 LEU HA 1.0 2.000 6.132 262 262 B 112 LEU HBy B 112 LEU HA 1.0 2.000 6.132 263 263 A 11 GLU HB3 A 11 GLU HBx 1.0 1.657 3.029 264 264 B 11 GLU HB3 B 11 GLU HBx 1.0 1.657 3.029 265 265 A 65 GLU HB3 A 66 SER HA 1.0 1.830 8.502 266 266 B 65 GLU HB3 B 66 SER HA 1.0 1.830 8.502 267 267 A 95 LYS HEx A 95 LYS HEy 1.0 0.000 6.000 268 268 B 95 LYS HEx B 95 LYS HEy 1.0 0.000 6.000 269 269 A 95 LYS HEy A 95 LYS HBy 1.0 1.897 7.917 270 270 B 95 LYS HEy B 95 LYS HBy 1.0 1.897 7.917 271 271 A 115 LYS HBx A 115 LYS HDx 1.0 1.874 4.116 272 272 B 115 LYS HBx B 115 LYS HDx 1.0 1.874 4.116 273 273 A 115 LYS HBy A 115 LYS HDx 1.0 1.905 4.351 274 274 B 115 LYS HBy B 115 LYS HDx 1.0 1.905 4.351 275 275 A 115 LYS HGx A 115 LYS HDx 1.0 1.899 4.301 276 276 B 115 LYS HGx B 115 LYS HDx 1.0 1.899 4.301 277 277 A 16 ASP HA A 16 ASP H 1.0 1.966 4.986 278 278 B 16 ASP HA B 16 ASP H 1.0 1.966 4.986 279 279 A 88 LYS HGx A 88 LYS HG3 1.0 0.000 6.000 280 280 B 88 LYS HGx B 88 LYS HG3 1.0 0.000 6.000 281 281 A 96 GLN HA A 96 GLN HG3 1.0 1.973 6.955 282 282 B 96 GLN HA B 96 GLN HG3 1.0 1.973 6.955 283 283 A 77 ASN HBx A 77 ASN HBy 1.0 1.182 1.702 284 284 B 77 ASN HBx B 77 ASN HBy 1.0 1.182 1.702 285 285 A 34 LYS HGx A 34 LYS HGy 1.0 0.000 6.000 286 286 B 34 LYS HGx B 34 LYS HGy 1.0 0.000 6.000 287 287 A 25 LYS HGy A 25 LYS HA 1.0 1.997 5.665 288 288 B 25 LYS HGy B 25 LYS HA 1.0 1.997 5.665 289 289 A 108 CYS H A 109 VAL HGx% 1.0 1.795 3.641 290 290 B 108 CYS H B 109 VAL HGx% 1.0 1.795 3.641 291 291 A 109 VAL HGx% A 109 VAL HB 1.0 1.537 2.615 292 292 B 109 VAL HGx% B 109 VAL HB 1.0 1.537 2.615 293 293 A 109 VAL HGx% A 109 VAL HGy% 1.0 1.306 1.982 294 294 B 109 VAL HGx% B 109 VAL HGy% 1.0 1.306 1.982 295 295 A 54 PHE HBx A 54 PHE HBy 1.0 1.285 1.931 296 296 B 54 PHE HBx B 54 PHE HBy 1.0 1.285 1.931 297 297 A 94 GLU HB3 A 94 GLU HGx 1.0 0.000 6.000 298 298 B 94 GLU HB3 B 94 GLU HGx 1.0 0.000 6.000 299 299 A 110 CYS HBx A 110 CYS HBy 1.0 0.000 6.000 300 300 B 110 CYS HBx B 110 CYS HBy 1.0 0.000 6.000 301 301 A 90 LEU HBy A 90 LEU HA 1.0 1.978 5.184 302 302 B 90 LEU HBy B 90 LEU HA 1.0 1.978 5.184 303 303 A 90 LEU HA A 90 LEU HBx 1.0 1.955 4.855 304 304 B 90 LEU HA B 90 LEU HBx 1.0 1.955 4.855 305 305 A 90 LEU HA A 90 LEU HG 1.0 1.976 5.162 306 306 B 90 LEU HA B 90 LEU HG 1.0 1.976 5.162 307 307 A 44 ILE HB A 49 PHE HE1 1.0 1.762 9.002 308 308 B 44 ILE HB B 49 PHE HE1 1.0 1.762 9.002 309 309 A 55 GLU HBy A 55 GLU HA 1.0 1.998 5.794 310 310 B 55 GLU HBy B 55 GLU HA 1.0 1.998 5.794 311 311 A 5 PRO HA A 4 HIS HBy 1.0 1.118 12.194 312 312 B 5 PRO HA B 4 HIS HBy 1.0 1.118 12.194 313 313 A 5 PRO HA A 5 PRO HGy 1.0 1.097 12.279 314 314 B 5 PRO HA B 5 PRO HGy 1.0 1.097 12.279 315 315 A 5 PRO HA A 5 PRO HDy 1.0 1.981 6.789 316 316 B 5 PRO HA B 5 PRO HDy 1.0 1.981 6.789 317 317 A 39 LEU HBy A 39 LEU HG 1.0 1.504 2.512 318 318 B 39 LEU HBy B 39 LEU HG 1.0 1.504 2.512 319 319 A 95 LYS HG3 A 95 LYS HEx 1.0 1.884 4.188 320 320 B 95 LYS HG3 B 95 LYS HEx 1.0 1.884 4.188 321 321 A 95 LYS HEx A 95 LYS HBy 1.0 1.578 10.092 322 322 B 95 LYS HEx B 95 LYS HBy 1.0 1.578 10.092 323 323 A 74 LYS HBy A 74 LYS HEx 1.0 1.979 5.197 324 324 B 74 LYS HBy B 74 LYS HEx 1.0 1.979 5.197 325 325 A 74 LYS HEx A 74 LYS HGx 1.0 1.976 6.894 326 326 B 74 LYS HEx B 74 LYS HGx 1.0 1.976 6.894 327 327 A 74 LYS HBy A 74 LYS HDy 1.0 0.000 6.000 328 328 B 74 LYS HBy B 74 LYS HDy 1.0 0.000 6.000 329 329 A 74 LYS HEx A 74 LYS HDy 1.0 1.768 3.510 330 330 B 74 LYS HEx B 74 LYS HDy 1.0 1.768 3.510 331 331 A 73 SER HBy A 73 SER HA 1.0 1.908 4.374 332 332 B 73 SER HBy B 73 SER HA 1.0 1.908 4.374 333 333 A 28 ALA HB% A 102 ILE HG2% 1.0 1.335 2.053 334 334 B 28 ALA HB% B 102 ILE HG2% 1.0 1.335 2.053 335 335 A 30 ASP HA A 102 ILE HG2% 1.0 1.825 3.805 336 336 B 30 ASP HA B 102 ILE HG2% 1.0 1.825 3.805 337 337 A 102 ILE HG2% A 102 ILE HG1x 1.0 1.760 3.472 338 338 B 102 ILE HG2% B 102 ILE HG1x 1.0 1.760 3.472 339 339 A 101 PHE HA A 102 ILE HG2% 1.0 1.974 5.124 340 340 B 101 PHE HA B 102 ILE HG2% 1.0 1.974 5.124 341 341 A 77 ASN HA A 111 VAL HGy% 1.0 1.910 7.786 342 342 B 77 ASN HA B 111 VAL HGy% 1.0 1.910 7.786 343 343 A 75 HIS HBy A 75 HIS HBx 1.0 1.417 2.263 344 344 B 75 HIS HBy B 75 HIS HBx 1.0 1.417 2.263 345 345 A 108 CYS HBx A 108 CYS HBy 1.0 1.579 2.751 346 346 B 108 CYS HBx B 108 CYS HBy 1.0 1.579 2.751 347 347 A 26 THR HA A 38 VAL HB 1.0 1.924 4.522 348 348 B 26 THR HA B 38 VAL HB 1.0 1.924 4.522 349 349 A 38 VAL HB A 39 LEU H 1.0 1.956 7.234 350 350 B 38 VAL HB B 39 LEU H 1.0 1.956 7.234 351 351 A 51 GLN HG2 A 51 GLN HE22 1.0 1.626 9.834 352 352 B 51 GLN HG2 B 51 GLN HE22 1.0 1.626 9.834 353 353 A 118 ARG HDx A 118 ARG HBx 1.0 1.582 10.076 354 354 B 118 ARG HDx B 118 ARG HBx 1.0 1.582 10.076 355 355 A 118 ARG HBx A 118 ARG HGx 1.0 1.504 2.510 356 356 B 118 ARG HBx B 118 ARG HGx 1.0 1.504 2.510 357 357 A 25 LYS HDx A 25 LYS HEy 1.0 1.917 4.455 358 358 B 25 LYS HDx B 25 LYS HEy 1.0 1.917 4.455 359 359 A 89 ALA H A 89 ALA HB% 1.0 1.983 5.265 360 360 B 89 ALA H B 89 ALA HB% 1.0 1.983 5.265 361 361 A 89 ALA HB% A 89 ALA HA 1.0 1.935 4.617 362 362 B 89 ALA HB% B 89 ALA HA 1.0 1.935 4.617 363 363 A 115 LYS HA A 115 LYS HDy 1.0 1.947 7.357 364 364 B 115 LYS HA B 115 LYS HDy 1.0 1.947 7.357 365 365 A 115 LYS HBx A 115 LYS HDy 1.0 0.000 6.000 366 366 B 115 LYS HBx B 115 LYS HDy 1.0 0.000 6.000 367 367 A 115 LYS HDy A 115 LYS HBy 1.0 0.000 6.000 368 368 B 115 LYS HDy B 115 LYS HBy 1.0 0.000 6.000 369 369 A 34 LYS HD3 A 34 LYS HEx 1.0 1.797 3.655 370 370 B 34 LYS HD3 B 34 LYS HEx 1.0 1.797 3.655 371 371 A 34 LYS HGx A 34 LYS HEx 1.0 1.886 4.206 372 372 B 34 LYS HGx B 34 LYS HEx 1.0 1.886 4.206 373 373 A 34 LYS HGy A 34 LYS HEx 1.0 1.933 4.599 374 374 B 34 LYS HGy B 34 LYS HEx 1.0 1.933 4.599 375 375 A 34 LYS HBy A 34 LYS HEx 1.0 1.600 9.976 376 376 B 34 LYS HBy B 34 LYS HEx 1.0 1.600 9.976 377 377 A 34 LYS HBx A 34 LYS HEx 1.0 1.787 8.821 378 378 B 34 LYS HBx B 34 LYS HEx 1.0 1.787 8.821 379 379 A 34 LYS HEx A 34 LYS HEy 1.0 0.000 6.000 380 380 B 34 LYS HEx B 34 LYS HEy 1.0 0.000 6.000 381 381 A 100 ARG HBx A 100 ARG HGy 1.0 1.595 2.805 382 382 B 100 ARG HBx B 100 ARG HGy 1.0 1.595 2.805 383 383 A 100 ARG HBy A 100 ARG HGy 1.0 1.555 2.673 384 384 B 100 ARG HBy B 100 ARG HGy 1.0 1.555 2.673 385 385 A 100 ARG HGx A 100 ARG HGy 1.0 0.000 6.000 386 386 B 100 ARG HGx B 100 ARG HGy 1.0 0.000 6.000 387 387 A 99 TRP HBy A 99 TRP HE3 1.0 1.221 11.773 388 388 B 99 TRP HBy B 99 TRP HE3 1.0 1.221 11.773 389 389 A 6 VAL HGx% A 8 HIS HA 1.0 1.926 7.612 390 390 B 6 VAL HGx% B 8 HIS HA 1.0 1.926 7.612 391 391 A 6 VAL HGx% A 6 VAL HB 1.0 1.359 2.113 392 392 B 6 VAL HGx% B 6 VAL HB 1.0 1.359 2.113 393 393 A 6 VAL HGx% A 10 GLY HAx 1.0 1.975 6.931 394 394 B 6 VAL HGx% B 10 GLY HAx 1.0 1.975 6.931 395 395 A 25 LYS HA A 24 ASP HA 1.0 1.997 6.309 396 396 B 25 LYS HA B 24 ASP HA 1.0 1.997 6.309 397 397 A 86 PHE HD1 A 31 ILE HD1% 1.0 1.860 8.252 398 398 B 86 PHE HD1 B 31 ILE HD1% 1.0 1.860 8.252 399 399 A 103 ARG HA A 103 ARG HGy 1.0 1.810 8.658 400 400 B 103 ARG HA B 103 ARG HGy 1.0 1.810 8.658 401 401 A 26 THR HA A 26 THR HB 1.0 1.736 3.354 402 402 B 26 THR HA B 26 THR HB 1.0 1.736 3.354 403 403 A 76 TRP HA A 112 LEU HDy% 1.0 1.995 6.369 404 404 B 76 TRP HA B 112 LEU HDy% 1.0 1.995 6.369 405 405 A 76 TRP HD1 A 112 LEU HDy% 1.0 1.945 7.391 406 406 B 76 TRP HD1 B 112 LEU HDy% 1.0 1.945 7.391 407 407 A 57 LYS HA A 57 LYS HGy 1.0 1.701 3.209 408 408 B 57 LYS HA B 57 LYS HGy 1.0 1.701 3.209 409 409 A 105 ASP HBx A 105 ASP HBy 1.0 1.752 3.434 410 410 B 105 ASP HBx B 105 ASP HBy 1.0 1.752 3.434 411 411 A 105 ASP HBx A 105 ASP HA 1.0 1.996 6.358 412 412 B 105 ASP HBx B 105 ASP HA 1.0 1.996 6.358 413 413 A 41 GLU HBx A 41 GLU HBy 1.0 1.330 2.038 414 414 B 41 GLU HBx B 41 GLU HBy 1.0 1.330 2.038 415 415 A 103 ARG HDy A 103 ARG HGy 1.0 1.871 4.099 416 416 B 103 ARG HDy B 103 ARG HGy 1.0 1.871 4.099 417 417 A 103 ARG HBx A 103 ARG HDy 1.0 1.908 4.374 418 418 B 103 ARG HBx B 103 ARG HDy 1.0 1.908 4.374 419 419 A 103 ARG HDy A 103 ARG HDx 1.0 1.513 2.541 420 420 B 103 ARG HDy B 103 ARG HDx 1.0 1.513 2.541 421 421 A 103 ARG HDy A 103 ARG HGx 1.0 1.750 3.420 422 422 B 103 ARG HDy B 103 ARG HGx 1.0 1.750 3.420 423 423 A 106 THR HB A 106 THR HG2% 1.0 1.591 2.791 424 424 B 106 THR HB B 106 THR HG2% 1.0 1.591 2.791 425 425 A 65 GLU HB3 A 64 VAL HB 1.0 1.999 6.163 426 426 B 65 GLU HB3 B 64 VAL HB 1.0 1.999 6.163 427 427 A 64 VAL HB A 68 CYS H 1.0 1.728 9.224 428 428 B 64 VAL HB B 68 CYS H 1.0 1.728 9.224 429 429 A 109 VAL HGy% A 109 VAL HA 1.0 1.985 5.309 430 430 B 109 VAL HGy% B 109 VAL HA 1.0 1.985 5.309 431 431 A 27 THR HA A 38 VAL HGx% 1.0 1.780 8.874 432 432 B 27 THR HA B 38 VAL HGx% 1.0 1.780 8.874 433 433 A 15 CYS HBx A 15 CYS HA 1.0 1.999 5.847 434 434 B 15 CYS HBx B 15 CYS HA 1.0 1.999 5.847 435 435 A 15 CYS HBx A 110 CYS H 1.0 1.842 8.410 436 436 B 15 CYS HBx B 110 CYS H 1.0 1.842 8.410 437 437 A 8 HIS HBy A 8 HIS HBx 1.0 1.316 2.004 438 438 B 8 HIS HBy B 8 HIS HBx 1.0 1.316 2.004 439 439 A 112 LEU HBx A 112 LEU HG 1.0 1.970 5.060 440 440 B 112 LEU HBx B 112 LEU HG 1.0 1.970 5.060 441 441 A 112 LEU HBy A 112 LEU HG 1.0 1.877 4.143 442 442 B 112 LEU HBy B 112 LEU HG 1.0 1.877 4.143 443 443 A 103 ARG HDx A 103 ARG HGy 1.0 1.918 4.462 444 444 B 103 ARG HDx B 103 ARG HGy 1.0 1.918 4.462 445 445 A 103 ARG HDx A 103 ARG HGx 1.0 1.939 4.671 446 446 B 103 ARG HDx B 103 ARG HGx 1.0 1.939 4.671 447 447 A 54 PHE HA A 54 PHE HE1 1.0 1.832 8.492 448 448 B 54 PHE HA B 54 PHE HE1 1.0 1.832 8.492 449 449 A 118 ARG HBy A 118 ARG HGx 1.0 1.938 4.658 450 450 B 118 ARG HBy B 118 ARG HGx 1.0 1.938 4.658 451 451 A 45 ASN HA A 46 ASN HB3 1.0 1.847 8.371 452 452 B 45 ASN HA B 46 ASN HB3 1.0 1.847 8.371 453 453 A 21 TRP HA A 21 TRP HZ3 1.0 1.606 9.950 454 454 B 21 TRP HA B 21 TRP HZ3 1.0 1.606 9.950 455 455 A 21 TRP HA A 54 PHE HD1 1.0 1.019 12.587 456 456 B 21 TRP HA B 54 PHE HD1 1.0 1.019 12.587 457 457 A 54 PHE HA A 21 TRP HA 1.0 1.780 3.562 458 458 B 54 PHE HA B 21 TRP HA 1.0 1.780 3.562 459 459 A 6 VAL HB A 4 HIS HD2 1.0 1.419 10.893 460 460 B 6 VAL HB B 4 HIS HD2 1.0 1.419 10.893 461 461 A 71 ILE HA A 71 ILE HB 1.0 1.901 4.321 462 462 B 71 ILE HA B 71 ILE HB 1.0 1.901 4.321 463 463 A 71 ILE HA A 71 ILE HG1y 1.0 1.909 4.389 464 464 B 71 ILE HA B 71 ILE HG1y 1.0 1.909 4.389 465 465 A 101 PHE HBx A 101 PHE HBy 1.0 1.221 1.785 466 466 B 101 PHE HBx B 101 PHE HBy 1.0 1.221 1.785 467 467 A 101 PHE HA A 101 PHE HBy 1.0 1.990 6.576 468 468 B 101 PHE HA B 101 PHE HBy 1.0 1.990 6.576 469 469 A 101 PHE HZ A 101 PHE HBy 1.0 1.931 7.549 470 470 B 101 PHE HZ B 101 PHE HBy 1.0 1.931 7.549 471 471 A 8 HIS HD2 A 9 MET HGx 1.0 1.955 7.237 472 472 B 8 HIS HD2 B 9 MET HGx 1.0 1.955 7.237 473 473 A 115 LYS HBx A 115 LYS HGx 1.0 1.930 7.560 474 474 B 115 LYS HBx B 115 LYS HGx 1.0 1.930 7.560 475 475 A 115 LYS HDy A 115 LYS HGx 1.0 1.999 5.873 476 476 B 115 LYS HDy B 115 LYS HGx 1.0 1.999 5.873 477 477 A 115 LYS HBy A 115 LYS HGx 1.0 1.940 4.674 478 478 B 115 LYS HBy B 115 LYS HGx 1.0 1.940 4.674 479 479 A 112 LEU HA A 111 VAL HGy% 1.0 1.959 4.893 480 480 B 112 LEU HA B 111 VAL HGy% 1.0 1.959 4.893 481 481 A 111 VAL HGy% A 111 VAL HB 1.0 1.427 2.293 482 482 B 111 VAL HGy% B 111 VAL HB 1.0 1.427 2.293 483 483 A 104 ILE HB A 104 ILE HG2% 1.0 1.544 2.636 484 484 B 104 ILE HB B 104 ILE HG2% 1.0 1.544 2.636 485 485 A 53 PHE HBx A 53 PHE HE1 1.0 1.880 8.078 486 486 B 53 PHE HBx B 53 PHE HE1 1.0 1.880 8.078 487 487 A 7 PHE HBy A 7 PHE HBx 1.0 1.356 2.106 488 488 B 7 PHE HBy B 7 PHE HBx 1.0 1.356 2.106 489 489 A 13 SER HBy A 13 SER HBx 1.0 0.000 6.000 490 490 B 13 SER HBy B 13 SER HBx 1.0 0.000 6.000 491 491 A 99 TRP HA A 99 TRP HBx 1.0 1.991 5.471 492 492 B 99 TRP HA B 99 TRP HBx 1.0 1.991 5.471 493 493 A 99 TRP HBy A 99 TRP HBx 1.0 1.201 1.741 494 494 B 99 TRP HBy B 99 TRP HBx 1.0 1.201 1.741 495 495 A 102 ILE HG1y A 102 ILE HG1x 1.0 1.272 1.902 496 496 B 102 ILE HG1y B 102 ILE HG1x 1.0 1.272 1.902 497 497 A 102 ILE HB A 102 ILE HG1x 1.0 1.714 3.260 498 498 B 102 ILE HB B 102 ILE HG1x 1.0 1.714 3.260 499 499 A 44 ILE HG1x A 44 ILE HG2% 1.0 0.000 6.000 500 500 B 44 ILE HG1x B 44 ILE HG2% 1.0 0.000 6.000 501 501 A 37 THR HA A 37 THR HG2% 1.0 1.655 3.023 502 502 B 37 THR HA B 37 THR HG2% 1.0 1.655 3.023 503 503 A 5 PRO HGy A 5 PRO HBy 1.0 1.763 3.483 504 504 B 5 PRO HGy B 5 PRO HBy 1.0 1.763 3.483 505 505 A 106 THR HB A 106 THR HA 1.0 1.970 5.054 506 506 B 106 THR HB B 106 THR HA 1.0 1.970 5.054 507 507 A 88 LYS H A 88 LYS HE3 1.0 1.233 11.721 508 508 B 88 LYS H B 88 LYS HE3 1.0 1.233 11.721 509 509 A 111 VAL HGy% A 111 VAL HGx% 1.0 0.000 6.000 510 510 B 111 VAL HGy% B 111 VAL HGx% 1.0 0.000 6.000 511 511 A 63 PRO HGx A 63 PRO HBy 1.0 0.000 6.000 512 512 B 63 PRO HGx B 63 PRO HBy 1.0 0.000 6.000 513 513 A 36 VAL HB A 36 VAL HGy% 1.0 1.479 2.439 514 514 B 36 VAL HB B 36 VAL HGy% 1.0 1.479 2.439 515 515 A 47 SER HBy A 44 ILE H 1.0 1.777 8.895 516 516 B 47 SER HBy B 44 ILE H 1.0 1.777 8.895 517 517 A 47 SER HBy A 49 PHE HE1 1.0 1.735 9.177 518 518 B 47 SER HBy B 49 PHE HE1 1.0 1.735 9.177 519 519 A 47 SER HBy A 44 ILE HB 1.0 1.849 8.349 520 520 B 47 SER HBy B 44 ILE HB 1.0 1.849 8.349 521 521 A 100 ARG HBx A 100 ARG HGx 1.0 1.907 4.367 522 522 B 100 ARG HBx B 100 ARG HGx 1.0 1.907 4.367 523 523 A 76 TRP HA A 76 TRP HBx 1.0 1.974 5.126 524 524 B 76 TRP HA B 76 TRP HBx 1.0 1.974 5.126 525 525 A 28 ALA HA A 102 ILE HD1% 1.0 1.998 5.708 526 526 B 28 ALA HA B 102 ILE HD1% 1.0 1.998 5.708 527 527 A 102 ILE HD1% A 38 VAL HGy% 1.0 0.000 6.000 528 528 B 102 ILE HD1% B 38 VAL HGy% 1.0 0.000 6.000 529 529 A 38 VAL HGx% A 102 ILE HD1% 1.0 0.000 6.000 530 530 B 38 VAL HGx% B 102 ILE HD1% 1.0 0.000 6.000 531 531 A 102 ILE HG1x A 102 ILE HD1% 1.0 1.446 2.344 532 532 B 102 ILE HG1x B 102 ILE HD1% 1.0 1.446 2.344 533 533 A 102 ILE HD1% A 102 ILE HA 1.0 1.968 7.038 534 534 B 102 ILE HD1% B 102 ILE HA 1.0 1.968 7.038 535 535 A 117 THR HA A 116 ALA HB% 1.0 1.919 4.471 536 536 B 117 THR HA B 116 ALA HB% 1.0 1.919 4.471 537 537 A 51 GLN HA A 51 GLN HG3 1.0 1.989 6.595 538 538 B 51 GLN HA B 51 GLN HG3 1.0 1.989 6.595 539 539 A 69 ARG HBx A 69 ARG HGy 1.0 0.000 6.000 540 540 B 69 ARG HBx B 69 ARG HGy 1.0 0.000 6.000 541 541 A 41 GLU HG3 A 49 PHE H 1.0 0.828 13.296 542 542 B 41 GLU HG3 B 49 PHE H 1.0 0.828 13.296 543 543 A 5 PRO HBx A 4 HIS HA 1.0 1.837 8.443 544 544 B 5 PRO HBx B 4 HIS HA 1.0 1.837 8.443 545 545 A 75 HIS HBy A 75 HIS HA 1.0 1.935 4.625 546 546 B 75 HIS HBy B 75 HIS HA 1.0 1.935 4.625 547 547 A 9 MET HBx A 9 MET HBy 1.0 1.249 1.849 548 548 B 9 MET HBx B 9 MET HBy 1.0 1.249 1.849 549 549 A 39 LEU HDx% A 39 LEU HDy% 1.0 0.000 6.000 550 550 B 39 LEU HDx% B 39 LEU HDy% 1.0 0.000 6.000 551 551 A 2 SER HB3 A 2 SER HA 1.0 1.848 3.950 552 552 B 2 SER HB3 B 2 SER HA 1.0 1.848 3.950 553 553 A 69 ARG HGy A 69 ARG HGx 1.0 1.323 2.023 554 554 B 69 ARG HGy B 69 ARG HGx 1.0 1.323 2.023 555 555 A 44 ILE H A 49 PHE HA 1.0 1.487 10.563 556 556 B 44 ILE H B 49 PHE HA 1.0 1.487 10.563 557 557 A 49 PHE HE1 A 49 PHE HA 1.0 1.297 11.447 558 558 B 49 PHE HE1 B 49 PHE HA 1.0 1.297 11.447 559 559 A 97 ALA HA A 97 ALA HB% 1.0 1.623 2.903 560 560 B 97 ALA HA B 97 ALA HB% 1.0 1.623 2.903 561 561 A 97 ALA HA A 92 THR HA 1.0 1.841 3.901 562 562 B 97 ALA HA B 92 THR HA 1.0 1.841 3.901 563 563 A 104 ILE HG1y A 104 ILE HD1% 1.0 1.474 2.422 564 564 B 104 ILE HG1y B 104 ILE HD1% 1.0 1.474 2.422 565 565 A 104 ILE HG1x A 104 ILE HD1% 1.0 1.427 2.291 566 566 B 104 ILE HG1x B 104 ILE HD1% 1.0 1.427 2.291 567 567 A 104 ILE HD1% A 87 VAL HB 1.0 1.913 4.419 568 568 B 104 ILE HD1% B 87 VAL HB 1.0 1.913 4.419 569 569 A 9 MET HE% A 9 MET HGy 1.0 1.978 5.184 570 570 B 9 MET HE% B 9 MET HGy 1.0 1.978 5.184 571 571 A 103 ARG HBy A 103 ARG HGx 1.0 1.852 3.974 572 572 B 103 ARG HBy B 103 ARG HGx 1.0 1.852 3.974 573 573 A 103 ARG HGx A 103 ARG HGy 1.0 0.000 6.000 574 574 B 103 ARG HGx B 103 ARG HGy 1.0 0.000 6.000 575 575 A 86 PHE HE1 A 85 THR HA 1.0 1.596 9.998 576 576 B 86 PHE HE1 B 85 THR HA 1.0 1.596 9.998 577 577 A 50 ARG HDy A 50 ARG HDx 1.0 1.415 2.257 578 578 B 50 ARG HDy B 50 ARG HDx 1.0 1.415 2.257 579 579 A 118 ARG HGx A 118 ARG HG3 1.0 1.374 2.150 580 580 B 118 ARG HGx B 118 ARG HG3 1.0 1.374 2.150 581 581 A 25 LYS HBx A 25 LYS HBy 1.0 0.000 6.000 582 582 B 25 LYS HBx B 25 LYS HBy 1.0 0.000 6.000 583 583 A 9 MET HE% A 9 MET HA 1.0 2.000 6.004 584 584 B 9 MET HE% B 9 MET HA 1.0 2.000 6.004 585 585 A 115 LYS HGx A 115 LYS HG3 1.0 1.592 2.796 586 586 B 115 LYS HGx B 115 LYS HG3 1.0 1.592 2.796 587 587 A 97 ALA HB% A 92 THR HA 1.0 2.000 6.084 588 588 B 97 ALA HB% B 92 THR HA 1.0 2.000 6.084 589 589 A 39 LEU HDy% A 92 THR HA 1.0 1.980 5.224 590 590 B 39 LEU HDy% B 92 THR HA 1.0 1.980 5.224 591 591 A 18 VAL HA A 18 VAL HGy% 1.0 1.768 3.506 592 592 B 18 VAL HA B 18 VAL HGy% 1.0 1.768 3.506 593 593 A 18 VAL HGx% A 18 VAL HGy% 1.0 0.000 6.000 594 594 B 18 VAL HGx% B 18 VAL HGy% 1.0 0.000 6.000 595 595 A 18 VAL HGy% A 18 VAL HB 1.0 0.000 6.000 596 596 B 18 VAL HGy% B 18 VAL HB 1.0 0.000 6.000 597 597 A 11 GLU HA A 11 GLU HBx 1.0 1.974 6.940 598 598 B 11 GLU HA B 11 GLU HBx 1.0 1.974 6.940 599 599 A 11 GLU HBx A 11 GLU HGy 1.0 1.898 4.288 600 600 B 11 GLU HBx B 11 GLU HGy 1.0 1.898 4.288 601 601 A 11 GLU HGx A 11 GLU HBx 1.0 1.989 6.579 602 602 B 11 GLU HGx B 11 GLU HBx 1.0 1.989 6.579 603 603 A 118 ARG HA A 118 ARG HGx 1.0 1.981 5.241 604 604 B 118 ARG HA B 118 ARG HGx 1.0 1.981 5.241 605 605 A 39 LEU HDx% A 98 ALA HA 1.0 1.968 7.040 606 606 B 39 LEU HDx% B 98 ALA HA 1.0 1.968 7.040 607 607 A 38 VAL HB A 39 LEU HDx% 1.0 1.954 7.264 608 608 B 38 VAL HB B 39 LEU HDx% 1.0 1.954 7.264 609 609 A 83 THR HB A 83 THR HA 1.0 1.903 4.333 610 610 B 83 THR HB B 83 THR HA 1.0 1.903 4.333 611 611 A 37 THR HA A 37 THR HB 1.0 1.820 3.782 612 612 B 37 THR HA B 37 THR HB 1.0 1.820 3.782 613 613 A 3 THR HB A 3 THR HA 1.0 1.575 2.737 614 614 B 3 THR HB B 3 THR HA 1.0 1.575 2.737 615 615 A 32 LYS HGy A 31 ILE HG2% 1.0 1.910 4.398 616 616 B 32 LYS HGy B 31 ILE HG2% 1.0 1.910 4.398 617 617 A 31 ILE HG2% A 31 ILE HG1y 1.0 0.000 6.000 618 618 B 31 ILE HG2% B 31 ILE HG1y 1.0 0.000 6.000 619 619 A 31 ILE HG2% A 31 ILE HG1x 1.0 1.760 3.472 620 620 B 31 ILE HG2% B 31 ILE HG1x 1.0 1.760 3.472 621 621 A 32 LYS HGx A 31 ILE HG2% 1.0 1.512 2.536 622 622 B 32 LYS HGx B 31 ILE HG2% 1.0 1.512 2.536 623 623 A 100 ARG HBx A 100 ARG HDy 1.0 1.672 3.088 624 624 B 100 ARG HBx B 100 ARG HDy 1.0 1.672 3.088 625 625 A 100 ARG HBy A 100 ARG HDy 1.0 1.986 6.680 626 626 B 100 ARG HBy B 100 ARG HDy 1.0 1.986 6.680 627 627 A 100 ARG HDy A 100 ARG HDx 1.0 1.236 1.818 628 628 B 100 ARG HDy B 100 ARG HDx 1.0 1.236 1.818 629 629 A 100 ARG HGy A 100 ARG HDy 1.0 1.739 3.369 630 630 B 100 ARG HGy B 100 ARG HDy 1.0 1.739 3.369 631 631 A 100 ARG HGx A 100 ARG HDy 1.0 1.868 4.078 632 632 B 100 ARG HGx B 100 ARG HDy 1.0 1.868 4.078 633 633 A 58 CYS HBy A 58 CYS HBx 1.0 0.000 6.000 634 634 B 58 CYS HBy B 58 CYS HBx 1.0 0.000 6.000 635 635 A 7 PHE HD1 A 6 VAL HA 1.0 1.328 11.308 636 636 B 7 PHE HD1 B 6 VAL HA 1.0 1.328 11.308 637 637 A 63 PRO HGx A 63 PRO HGy 1.0 0.000 6.000 638 638 B 63 PRO HGx B 63 PRO HGy 1.0 0.000 6.000 639 639 A 65 GLU HB3 A 64 VAL HGy% 1.0 1.743 9.127 640 640 B 65 GLU HB3 B 64 VAL HGy% 1.0 1.743 9.127 641 641 A 64 VAL HGy% A 62 ASN H 1.0 1.928 7.586 642 642 B 64 VAL HGy% B 62 ASN H 1.0 1.928 7.586 643 643 A 57 LYS HBx A 57 LYS HEx 1.0 0.000 6.000 644 644 B 57 LYS HBx B 57 LYS HEx 1.0 0.000 6.000 645 645 A 57 LYS HA A 57 LYS HEx 1.0 1.999 6.137 646 646 B 57 LYS HA B 57 LYS HEx 1.0 1.999 6.137 647 647 A 57 LYS HEx A 57 LYS HDx 1.0 0.000 6.000 648 648 B 57 LYS HEx B 57 LYS HDx 1.0 0.000 6.000 649 649 A 57 LYS HEx A 57 LYS H 1.0 1.339 11.263 650 650 B 57 LYS HEx B 57 LYS H 1.0 1.339 11.263 651 651 A 57 LYS HEx A 57 LYS HDy 1.0 1.729 3.329 652 652 B 57 LYS HEx B 57 LYS HDy 1.0 1.729 3.329 653 653 A 71 ILE HD1% A 71 ILE HG1y 1.0 1.854 3.984 654 654 B 71 ILE HD1% B 71 ILE HG1y 1.0 1.854 3.984 655 655 A 71 ILE HB A 71 ILE HG1y 1.0 1.786 3.598 656 656 B 71 ILE HB B 71 ILE HG1y 1.0 1.786 3.598 657 657 A 108 CYS HBy A 108 CYS HA 1.0 1.980 6.820 658 658 B 108 CYS HBy B 108 CYS HA 1.0 1.980 6.820 659 659 A 9 MET HGx A 9 MET HGy 1.0 1.185 1.707 660 660 B 9 MET HGx B 9 MET HGy 1.0 1.185 1.707 661 661 A 9 MET HBy A 9 MET HGx 1.0 1.941 4.689 662 662 B 9 MET HBy B 9 MET HGx 1.0 1.941 4.689 663 663 A 9 MET HBx A 9 MET HGx 1.0 1.759 3.461 664 664 B 9 MET HBx B 9 MET HGx 1.0 1.759 3.461 665 665 A 9 MET HE% A 9 MET HGx 1.0 1.737 3.361 666 666 B 9 MET HE% B 9 MET HGx 1.0 1.737 3.361 667 667 A 102 ILE HG1x A 102 ILE HA 1.0 2.000 6.002 668 668 B 102 ILE HG1x B 102 ILE HA 1.0 2.000 6.002 669 669 A 102 ILE HG1y A 102 ILE HA 1.0 1.999 5.831 670 670 B 102 ILE HG1y B 102 ILE HA 1.0 1.999 5.831 671 671 A 102 ILE HA A 31 ILE H 1.0 1.954 7.260 672 672 B 102 ILE HA B 31 ILE H 1.0 1.954 7.260 673 673 A 74 LYS HEx A 74 LYS HBx 1.0 1.742 3.388 674 674 B 74 LYS HEx B 74 LYS HBx 1.0 1.742 3.388 675 675 A 74 LYS HEx A 74 LYS HDx 1.0 1.657 3.029 676 676 B 74 LYS HEx B 74 LYS HDx 1.0 1.657 3.029 677 677 A 74 LYS HEx A 74 LYS HA 1.0 1.666 9.602 678 678 B 74 LYS HEx B 74 LYS HA 1.0 1.666 9.602 679 679 A 74 LYS HEx A 74 LYS HGy 1.0 1.560 2.688 680 680 B 74 LYS HEx B 74 LYS HGy 1.0 1.560 2.688 681 681 A 32 LYS HGx A 32 LYS HB3 1.0 1.686 3.146 682 682 B 32 LYS HGx B 32 LYS HB3 1.0 1.686 3.146 683 683 A 71 ILE HG1y A 71 ILE HG2% 1.0 1.549 2.651 684 684 B 71 ILE HG1y B 71 ILE HG2% 1.0 1.549 2.651 685 685 A 71 ILE HG1y A 71 ILE HG1x 1.0 1.297 1.959 686 686 B 71 ILE HG1y B 71 ILE HG1x 1.0 1.297 1.959 687 687 A 51 GLN HA A 51 GLN HB3 1.0 1.987 5.371 688 688 B 51 GLN HA B 51 GLN HB3 1.0 1.987 5.371 689 689 A 33 GLY HAx A 33 GLY HAy 1.0 1.637 2.955 690 690 B 33 GLY HAx B 33 GLY HAy 1.0 1.637 2.955 691 691 A 113 SER HB3 A 77 ASN HA 1.0 1.030 12.540 692 692 B 113 SER HB3 B 77 ASN HA 1.0 1.030 12.540 693 693 A 57 LYS HBx A 57 LYS HGy 1.0 1.611 2.863 694 694 B 57 LYS HBx B 57 LYS HGy 1.0 1.611 2.863 695 695 A 57 LYS HGy A 57 LYS HGx 1.0 1.321 2.019 696 696 B 57 LYS HGy B 57 LYS HGx 1.0 1.321 2.019 697 697 A 57 LYS HBy A 57 LYS HGy 1.0 1.860 4.022 698 698 B 57 LYS HBy B 57 LYS HGy 1.0 1.860 4.022 699 699 A 30 ASP HA A 30 ASP HBy 1.0 1.985 5.319 700 700 B 30 ASP HA B 30 ASP HBy 1.0 1.985 5.319 701 701 A 30 ASP HBx A 30 ASP HBy 1.0 1.701 3.207 702 702 B 30 ASP HBx B 30 ASP HBy 1.0 1.701 3.207 703 703 A 49 PHE HBx A 49 PHE HA 1.0 1.948 4.758 704 704 B 49 PHE HBx B 49 PHE HA 1.0 1.948 4.758 705 705 A 49 PHE HBx A 49 PHE HE1 1.0 1.757 9.033 706 706 B 49 PHE HBx B 49 PHE HE1 1.0 1.757 9.033 707 707 A 93 ASP HA A 93 ASP HB3 1.0 1.890 4.236 708 708 B 93 ASP HA B 93 ASP HB3 1.0 1.890 4.236 709 709 A 85 THR HB A 85 THR HA 1.0 1.898 4.294 710 710 B 85 THR HB B 85 THR HA 1.0 1.898 4.294 711 711 A 85 THR HA A 85 THR HG1 1.0 1.970 7.016 712 712 B 85 THR HA B 85 THR HG1 1.0 1.970 7.016 713 713 A 41 GLU HBy A 41 GLU HA 1.0 1.935 4.625 714 714 B 41 GLU HBy B 41 GLU HA 1.0 1.935 4.625 715 715 A 41 GLU HA A 40 ALA H 1.0 1.911 7.781 716 716 B 41 GLU HA B 40 ALA H 1.0 1.911 7.781 717 717 A 71 ILE HA A 70 GLY HAy 1.0 1.869 8.175 718 718 B 71 ILE HA B 70 GLY HAy 1.0 1.869 8.175 719 719 A 70 GLY HAy A 70 GLY HAx 1.0 1.793 3.631 720 720 B 70 GLY HAy B 70 GLY HAx 1.0 1.793 3.631 721 721 A 103 ARG HBx A 29 THR HG2% 1.0 1.999 5.831 722 722 B 103 ARG HBx B 29 THR HG2% 1.0 1.999 5.831 723 723 A 116 ALA HB% A 116 ALA HA 1.0 1.436 2.314 724 724 B 116 ALA HB% B 116 ALA HA 1.0 1.436 2.314 725 725 A 73 SER HBy A 73 SER HBx 1.0 1.559 2.685 726 726 B 73 SER HBy B 73 SER HBx 1.0 1.559 2.685 727 727 A 112 LEU HBx A 112 LEU HA 1.0 1.932 4.588 728 728 B 112 LEU HBx B 112 LEU HA 1.0 1.932 4.588 729 729 A 112 LEU HDx% A 112 LEU HA 1.0 1.970 7.016 730 730 B 112 LEU HDx% B 112 LEU HA 1.0 1.970 7.016 731 731 A 112 LEU HA A 112 LEU HG 1.0 1.989 5.429 732 732 B 112 LEU HA B 112 LEU HG 1.0 1.989 5.429 733 733 A 112 LEU HA A 112 LEU H 1.0 1.987 5.349 734 734 B 112 LEU HA B 112 LEU H 1.0 1.987 5.349 735 735 A 92 THR HA A 92 THR HG2% 1.0 1.952 4.804 736 736 B 92 THR HA B 92 THR HG2% 1.0 1.952 4.804 737 737 A 84 HIS HA A 84 HIS HD2 1.0 1.940 7.448 738 738 B 84 HIS HA B 84 HIS HD2 1.0 1.940 7.448 739 739 A 84 HIS HA A 83 THR HG2% 1.0 1.996 6.366 740 740 B 84 HIS HA B 83 THR HG2% 1.0 1.996 6.366 741 741 A 84 HIS HA A 84 HIS HBx 1.0 1.978 5.194 742 742 B 84 HIS HA B 84 HIS HBx 1.0 1.978 5.194 743 743 A 84 HIS HA A 84 HIS HBy 1.0 1.983 5.293 744 744 B 84 HIS HA B 84 HIS HBy 1.0 1.983 5.293 745 745 A 31 ILE HG1x A 31 ILE HB 1.0 1.845 3.929 746 746 B 31 ILE HG1x B 31 ILE HB 1.0 1.845 3.929 747 747 A 31 ILE HG1y A 31 ILE HB 1.0 1.940 4.672 748 748 B 31 ILE HG1y B 31 ILE HB 1.0 1.940 4.672 749 749 A 101 PHE HBy A 31 ILE HB 1.0 1.908 4.384 750 750 B 101 PHE HBy B 31 ILE HB 1.0 1.908 4.384 751 751 A 103 ARG HA A 31 ILE HB 1.0 1.970 7.006 752 752 B 103 ARG HA B 31 ILE HB 1.0 1.970 7.006 753 753 A 43 ASN HA A 48 VAL HGy% 1.0 1.805 3.693 754 754 B 43 ASN HA B 48 VAL HGy% 1.0 1.805 3.693 755 755 A 66 SER HA A 66 SER HBx 1.0 1.832 3.846 756 756 B 66 SER HA B 66 SER HBx 1.0 1.832 3.846 757 757 A 66 SER HA A 66 SER HBy 1.0 1.916 4.448 758 758 B 66 SER HA B 66 SER HBy 1.0 1.916 4.448 759 759 A 95 LYS HG3 A 95 LYS HBy 1.0 1.813 3.743 760 760 B 95 LYS HG3 B 95 LYS HBy 1.0 1.813 3.743 761 761 A 74 LYS HBx A 74 LYS HGy 1.0 1.710 3.242 762 762 B 74 LYS HBx B 74 LYS HGy 1.0 1.710 3.242 763 763 A 104 ILE HA A 104 ILE HD1% 1.0 2.000 5.934 764 764 B 104 ILE HA B 104 ILE HD1% 1.0 2.000 5.934 765 765 A 9 MET HBy A 9 MET HGy 1.0 1.792 3.628 766 766 B 9 MET HBy B 9 MET HGy 1.0 1.792 3.628 767 767 A 9 MET HBx A 9 MET HGy 1.0 1.931 4.583 768 768 B 9 MET HBx B 9 MET HGy 1.0 1.931 4.583 769 769 A 24 ASP HA A 24 ASP HBy 1.0 1.900 4.312 770 770 B 24 ASP HA B 24 ASP HBy 1.0 1.900 4.312 771 771 A 24 ASP HBy A 24 ASP HBx 1.0 1.626 2.912 772 772 B 24 ASP HBy B 24 ASP HBx 1.0 1.626 2.912 773 773 A 25 LYS HEy A 25 LYS HBy 1.0 1.744 9.112 774 774 B 25 LYS HEy B 25 LYS HBy 1.0 1.744 9.112 775 775 A 25 LYS HEy A 25 LYS HBx 1.0 1.683 9.501 776 776 B 25 LYS HEy B 25 LYS HBx 1.0 1.683 9.501 777 777 A 25 LYS HGy A 25 LYS HEy 1.0 1.983 6.745 778 778 B 25 LYS HGy B 25 LYS HEy 1.0 1.983 6.745 779 779 A 115 LYS HDy A 115 LYS HG3 1.0 1.637 2.957 780 780 B 115 LYS HDy B 115 LYS HG3 1.0 1.637 2.957 781 781 A 115 LYS HDy A 115 LYS HDx 1.0 1.274 1.906 782 782 B 115 LYS HDy B 115 LYS HDx 1.0 1.274 1.906 783 783 A 30 ASP HA A 102 ILE HA 1.0 1.972 5.088 784 784 B 30 ASP HA B 102 ILE HA 1.0 1.972 5.088 785 785 A 87 VAL HGx% A 87 VAL HA 1.0 1.710 3.240 786 786 B 87 VAL HGx% B 87 VAL HA 1.0 1.710 3.240 787 787 A 87 VAL HGx% A 104 ILE HD1% 1.0 1.312 1.994 788 788 B 87 VAL HGx% B 104 ILE HD1% 1.0 1.312 1.994 789 789 A 73 SER HA A 73 SER HBx 1.0 1.961 4.929 790 790 B 73 SER HA B 73 SER HBx 1.0 1.961 4.929 791 791 A 21 TRP HBx A 21 TRP HA 1.0 1.997 5.677 792 792 B 21 TRP HBx B 21 TRP HA 1.0 1.997 5.677 793 793 A 21 TRP HBy A 21 TRP HA 1.0 1.866 4.062 794 794 B 21 TRP HBy B 21 TRP HA 1.0 1.866 4.062 795 795 A 21 TRP HA A 20 VAL H 1.0 1.966 7.076 796 796 B 21 TRP HA B 20 VAL H 1.0 1.966 7.076 797 797 A 21 TRP HA A 21 TRP HE3 1.0 1.977 5.161 798 798 B 21 TRP HA B 21 TRP HE3 1.0 1.977 5.161 799 799 A 21 TRP HA A 20 VAL HB 1.0 1.986 6.676 800 800 B 21 TRP HA B 20 VAL HB 1.0 1.986 6.676 801 801 A 21 TRP HA A 21 TRP HD1 1.0 1.999 6.171 802 802 B 21 TRP HA B 21 TRP HD1 1.0 1.999 6.171 803 803 A 14 VAL HB A 68 CYS HBy 1.0 1.925 7.621 804 804 B 14 VAL HB B 68 CYS HBy 1.0 1.925 7.621 805 805 A 14 VAL HB A 14 VAL HA 1.0 1.954 4.828 806 806 B 14 VAL HB B 14 VAL HA 1.0 1.954 4.828 807 807 A 14 VAL HB A 15 CYS HA 1.0 1.973 6.955 808 808 B 14 VAL HB B 15 CYS HA 1.0 1.973 6.955 809 809 A 95 LYS HG3 A 95 LYS HBx 1.0 1.636 2.952 810 810 B 95 LYS HG3 B 95 LYS HBx 1.0 1.636 2.952 811 811 A 100 ARG HBx A 100 ARG HA 1.0 1.976 5.150 812 812 B 100 ARG HBx B 100 ARG HA 1.0 1.976 5.150 813 813 A 90 LEU HG A 90 LEU HDy% 1.0 1.771 3.523 814 814 B 90 LEU HG B 90 LEU HDy% 1.0 1.771 3.523 815 815 A 42 VAL HGy% A 90 LEU HDy% 1.0 1.930 4.580 816 816 B 42 VAL HGy% B 90 LEU HDy% 1.0 1.930 4.580 817 817 A 39 LEU HDx% A 90 LEU HDy% 1.0 1.518 2.554 818 818 B 39 LEU HDx% B 90 LEU HDy% 1.0 1.518 2.554 819 819 A 39 LEU HDy% A 90 LEU HDy% 1.0 1.934 4.608 820 820 B 39 LEU HDy% B 90 LEU HDy% 1.0 1.934 4.608 821 821 A 68 CYS HBx A 68 CYS HBy 1.0 1.731 3.335 822 822 B 68 CYS HBx B 68 CYS HBy 1.0 1.731 3.335 823 823 A 4 HIS HBy A 5 PRO HDx 1.0 1.982 6.778 824 824 B 4 HIS HBy B 5 PRO HDx 1.0 1.982 6.778 825 825 A 4 HIS HBy A 4 HIS HA 1.0 1.844 3.922 826 826 B 4 HIS HBy B 4 HIS HA 1.0 1.844 3.922 827 827 A 117 THR HG2% A 117 THR HB 1.0 1.517 2.549 828 828 B 117 THR HG2% B 117 THR HB 1.0 1.517 2.549 829 829 A 117 THR HG2% A 118 ARG H 1.0 1.998 6.248 830 830 B 117 THR HG2% B 118 ARG H 1.0 1.998 6.248 831 831 A 18 VAL HGx% A 17 SER HBx 1.0 1.999 6.189 832 832 B 18 VAL HGx% B 17 SER HBx 1.0 1.999 6.189 833 833 A 108 CYS HBx A 17 SER HBx 1.0 1.968 7.040 834 834 B 108 CYS HBx B 17 SER HBx 1.0 1.968 7.040 835 835 A 14 VAL HB A 14 VAL HGx% 1.0 1.599 2.817 836 836 B 14 VAL HB B 14 VAL HGx% 1.0 1.599 2.817 837 837 A 14 VAL HGx% A 68 CYS HBy 1.0 1.983 6.751 838 838 B 14 VAL HGx% B 68 CYS HBy 1.0 1.983 6.751 839 839 A 69 ARG H A 14 VAL HGx% 1.0 1.999 6.167 840 840 B 69 ARG H B 14 VAL HGx% 1.0 1.999 6.167 841 841 A 14 VAL HGx% A 15 CYS HBx 1.0 1.989 6.621 842 842 B 14 VAL HGx% B 15 CYS HBx 1.0 1.989 6.621 843 843 A 14 VAL HGx% A 110 CYS HBx 1.0 1.921 4.489 844 844 B 14 VAL HGx% B 110 CYS HBx 1.0 1.921 4.489 845 845 A 115 LYS HA A 115 LYS HG3 1.0 1.972 6.970 846 846 B 115 LYS HA B 115 LYS HG3 1.0 1.972 6.970 847 847 A 2 SER HB3 A 2 SER H 1.0 1.794 8.774 848 848 B 2 SER HB3 B 2 SER H 1.0 1.794 8.774 849 849 A 95 LYS HD3 A 95 LYS HBy 1.0 1.737 3.365 850 850 B 95 LYS HD3 B 95 LYS HBy 1.0 1.737 3.365 851 851 A 95 LYS HG3 A 95 LYS HD3 1.0 0.000 6.000 852 852 B 95 LYS HG3 B 95 LYS HD3 1.0 0.000 6.000 853 853 A 95 LYS HD3 A 95 LYS H 1.0 1.941 7.441 854 854 B 95 LYS HD3 B 95 LYS H 1.0 1.941 7.441 855 855 A 95 LYS HD3 A 95 LYS HA 1.0 1.980 6.830 856 856 B 95 LYS HD3 B 95 LYS HA 1.0 1.980 6.830 857 857 A 95 LYS HD3 A 95 LYS HEy 1.0 1.447 2.347 858 858 B 95 LYS HD3 B 95 LYS HEy 1.0 1.447 2.347 859 859 A 63 PRO HGx A 63 PRO HDx 1.0 1.944 4.722 860 860 B 63 PRO HGx B 63 PRO HDx 1.0 1.944 4.722 861 861 A 63 PRO HGy A 63 PRO HDx 1.0 1.990 5.446 862 862 B 63 PRO HGy B 63 PRO HDx 1.0 1.990 5.446 863 863 A 63 PRO HBy A 63 PRO HDx 1.0 1.903 7.861 864 864 B 63 PRO HBy B 63 PRO HDx 1.0 1.903 7.861 865 865 A 63 PRO HA A 63 PRO HDx 1.0 1.831 8.495 866 866 B 63 PRO HA B 63 PRO HDx 1.0 1.831 8.495 867 867 A 65 GLU HA A 65 GLU HG3 1.0 1.857 4.001 868 868 B 65 GLU HA B 65 GLU HG3 1.0 1.857 4.001 869 869 A 65 GLU HB3 A 65 GLU HG3 1.0 1.579 2.751 870 870 B 65 GLU HB3 B 65 GLU HG3 1.0 1.579 2.751 871 871 A 62 ASN HBy A 65 GLU HG3 1.0 1.727 9.231 872 872 B 62 ASN HBy B 65 GLU HG3 1.0 1.727 9.231 873 873 A 18 VAL HGx% A 18 VAL HB 1.0 0.000 6.000 874 874 B 18 VAL HGx% B 18 VAL HB 1.0 0.000 6.000 875 875 A 18 VAL HA A 18 VAL HB 1.0 1.646 2.988 876 876 B 18 VAL HA B 18 VAL HB 1.0 1.646 2.988 877 877 A 18 VAL HGx% A 59 ARG HBy 1.0 1.957 4.869 878 878 B 18 VAL HGx% B 59 ARG HBy 1.0 1.957 4.869 879 879 A 18 VAL HGx% A 59 ARG HDy 1.0 1.999 5.843 880 880 B 18 VAL HGx% B 59 ARG HDy 1.0 1.999 5.843 881 881 A 18 VAL HA A 18 VAL HGx% 1.0 1.771 3.525 882 882 B 18 VAL HA B 18 VAL HGx% 1.0 1.771 3.525 883 883 A 57 LYS HBy A 18 VAL HGx% 1.0 1.277 1.913 884 884 B 57 LYS HBy B 18 VAL HGx% 1.0 1.277 1.913 885 885 A 18 VAL HGx% A 59 ARG HGx 1.0 1.650 3.004 886 886 B 18 VAL HGx% B 59 ARG HGx 1.0 1.650 3.004 887 887 A 18 VAL HGx% A 59 ARG HBx 1.0 0.000 6.000 888 888 B 18 VAL HGx% B 59 ARG HBx 1.0 0.000 6.000 889 889 A 17 SER HBx A 17 SER HBy 1.0 1.671 3.081 890 890 B 17 SER HBx B 17 SER HBy 1.0 1.671 3.081 891 891 A 18 VAL HGx% A 17 SER HBy 1.0 1.936 7.500 892 892 B 18 VAL HGx% B 17 SER HBy 1.0 1.936 7.500 893 893 A 17 SER HA A 17 SER HBy 1.0 1.982 5.250 894 894 B 17 SER HA B 17 SER HBy 1.0 1.982 5.250 895 895 A 108 CYS HBx A 17 SER HBy 1.0 1.564 10.172 896 896 B 108 CYS HBx B 17 SER HBy 1.0 1.564 10.172 897 897 A 36 VAL HGx% A 36 VAL HA 1.0 1.744 3.394 898 898 B 36 VAL HGx% B 36 VAL HA 1.0 1.744 3.394 899 899 A 91 THR HB A 36 VAL HGx% 1.0 1.917 4.451 900 900 B 91 THR HB B 36 VAL HGx% 1.0 1.917 4.451 901 901 A 36 VAL HGx% A 29 THR H 1.0 1.994 6.456 902 902 B 36 VAL HGx% B 29 THR H 1.0 1.994 6.456 903 903 A 30 ASP HA A 36 VAL HGx% 1.0 1.985 5.319 904 904 B 30 ASP HA B 36 VAL HGx% 1.0 1.985 5.319 905 905 A 36 VAL HGx% A 35 GLU HB3 1.0 2.000 6.024 906 906 B 36 VAL HGx% B 35 GLU HB3 1.0 2.000 6.024 907 907 A 31 ILE HB A 31 ILE HA 1.0 1.897 4.291 908 908 B 31 ILE HB B 31 ILE HA 1.0 1.897 4.291 909 909 A 31 ILE HG1x A 31 ILE HA 1.0 1.855 3.987 910 910 B 31 ILE HG1x B 31 ILE HA 1.0 1.855 3.987 911 911 A 31 ILE HG1y A 31 ILE HA 1.0 1.984 5.318 912 912 B 31 ILE HG1y B 31 ILE HA 1.0 1.984 5.318 913 913 A 31 ILE HG2% A 31 ILE HA 1.0 1.963 4.945 914 914 B 31 ILE HG2% B 31 ILE HA 1.0 1.963 4.945 915 915 A 32 LYS HB3 A 31 ILE HA 1.0 1.836 8.458 916 916 B 32 LYS HB3 B 31 ILE HA 1.0 1.836 8.458 917 917 A 81 THR HG2% A 81 THR HA 1.0 1.947 4.749 918 918 B 81 THR HG2% B 81 THR HA 1.0 1.947 4.749 919 919 A 22 VAL HGy% A 20 VAL HGx% 1.0 0.000 6.000 920 920 B 22 VAL HGy% B 20 VAL HGx% 1.0 0.000 6.000 921 921 A 22 VAL HGy% A 21 TRP HA 1.0 1.994 5.568 922 922 B 22 VAL HGy% B 21 TRP HA 1.0 1.994 5.568 923 923 A 22 VAL HGy% A 22 VAL HB 1.0 1.427 2.291 924 924 B 22 VAL HGy% B 22 VAL HB 1.0 1.427 2.291 925 925 A 21 TRP HBy A 22 VAL HGy% 1.0 1.894 7.950 926 926 B 21 TRP HBy B 22 VAL HGy% 1.0 1.894 7.950 927 927 A 22 VAL HA A 22 VAL HGy% 1.0 1.684 3.134 928 928 B 22 VAL HA B 22 VAL HGy% 1.0 1.684 3.134 929 929 A 22 VAL HGy% A 55 GLU HGx 1.0 1.995 5.569 930 930 B 22 VAL HGy% B 55 GLU HGx 1.0 1.995 5.569 931 931 A 22 VAL HGy% A 55 GLU HGy 1.0 1.745 3.399 932 932 B 22 VAL HGy% B 55 GLU HGy 1.0 1.745 3.399 933 933 A 22 VAL HGy% A 20 VAL HB 1.0 1.648 2.994 934 934 B 22 VAL HGy% B 20 VAL HB 1.0 1.648 2.994 935 935 A 91 THR HB A 91 THR HA 1.0 1.859 4.017 936 936 B 91 THR HB B 91 THR HA 1.0 1.859 4.017 937 937 A 91 THR HG2% A 91 THR HA 1.0 1.795 3.645 938 938 B 91 THR HG2% B 91 THR HA 1.0 1.795 3.645 939 939 A 110 CYS HBx A 109 VAL HA 1.0 1.745 9.117 940 940 B 110 CYS HBx B 109 VAL HA 1.0 1.745 9.117 941 941 A 100 ARG HGy A 100 ARG HA 1.0 1.918 7.710 942 942 B 100 ARG HGy B 100 ARG HA 1.0 1.918 7.710 943 943 A 58 CYS HBy A 58 CYS H 1.0 1.854 8.302 944 944 B 58 CYS HBy B 58 CYS H 1.0 1.854 8.302 945 945 A 59 ARG HBy A 59 ARG HDy 1.0 1.964 4.966 946 946 B 59 ARG HBy B 59 ARG HDy 1.0 1.964 4.966 947 947 A 59 ARG HBy A 59 ARG HBx 1.0 1.329 2.037 948 948 B 59 ARG HBy B 59 ARG HBx 1.0 1.329 2.037 949 949 A 86 PHE HBy A 86 PHE HZ 1.0 1.954 7.260 950 950 B 86 PHE HBy B 86 PHE HZ 1.0 1.954 7.260 951 951 A 86 PHE HBy A 86 PHE HBx 1.0 1.755 3.443 952 952 B 86 PHE HBy B 86 PHE HBx 1.0 1.755 3.443 953 953 A 105 ASP H A 105 ASP HA 1.0 1.944 4.714 954 954 B 105 ASP H B 105 ASP HA 1.0 1.944 4.714 955 955 A 80 CYS HA A 80 CYS HBy 1.0 1.999 5.857 956 956 B 80 CYS HA B 80 CYS HBy 1.0 1.999 5.857 957 957 A 80 CYS HA A 110 CYS HA 1.0 1.952 4.808 958 958 B 80 CYS HA B 110 CYS HA 1.0 1.952 4.808 959 959 A 80 CYS HA A 80 CYS HBx 1.0 1.947 4.751 960 960 B 80 CYS HA B 80 CYS HBx 1.0 1.947 4.751 961 961 A 21 TRP HA A 22 VAL HB 1.0 1.891 7.979 962 962 B 21 TRP HA B 22 VAL HB 1.0 1.891 7.979 963 963 A 22 VAL HA A 22 VAL HB 1.0 1.934 4.610 964 964 B 22 VAL HA B 22 VAL HB 1.0 1.934 4.610 965 965 A 20 VAL HGx% A 22 VAL HB 1.0 1.953 4.813 966 966 B 20 VAL HGx% B 22 VAL HB 1.0 1.953 4.813 967 967 A 42 VAL HB A 43 ASN H 1.0 1.986 6.676 968 968 B 42 VAL HB B 43 ASN H 1.0 1.986 6.676 969 969 A 42 VAL HB A 42 VAL HA 1.0 1.869 4.083 970 970 B 42 VAL HB B 42 VAL HA 1.0 1.869 4.083 971 971 A 85 THR HB A 104 ILE HD1% 1.0 1.999 5.843 972 972 B 85 THR HB B 104 ILE HD1% 1.0 1.999 5.843 973 973 A 85 THR HB A 106 THR HG2% 1.0 1.573 2.729 974 974 B 85 THR HB B 106 THR HG2% 1.0 1.573 2.729 975 975 A 85 THR HB A 85 THR HG1 1.0 1.964 4.968 976 976 B 85 THR HB B 85 THR HG1 1.0 1.964 4.968 977 977 A 5 PRO HGy A 5 PRO HDx 1.0 1.970 7.014 978 978 B 5 PRO HGy B 5 PRO HDx 1.0 1.970 7.014 979 979 A 5 PRO HA A 5 PRO HDx 1.0 1.867 8.197 980 980 B 5 PRO HA B 5 PRO HDx 1.0 1.867 8.197 981 981 A 5 PRO HGx A 5 PRO HDx 1.0 1.661 3.045 982 982 B 5 PRO HGx B 5 PRO HDx 1.0 1.661 3.045 983 983 A 5 PRO HDy A 5 PRO HDx 1.0 1.327 2.033 984 984 B 5 PRO HDy B 5 PRO HDx 1.0 1.327 2.033 985 985 A 4 HIS HA A 5 PRO HDx 1.0 1.735 3.357 986 986 B 4 HIS HA B 5 PRO HDx 1.0 1.735 3.357 987 987 A 60 ALA HA A 60 ALA HB% 1.0 1.798 3.660 988 988 B 60 ALA HA B 60 ALA HB% 1.0 1.798 3.660 989 989 A 57 LYS HGy A 57 LYS HEx 1.0 1.759 3.461 990 990 B 57 LYS HGy B 57 LYS HEx 1.0 1.759 3.461 991 991 A 18 VAL HGx% A 57 LYS HEx 1.0 2.000 5.942 992 992 B 18 VAL HGx% B 57 LYS HEx 1.0 2.000 5.942 993 993 A 57 LYS HEx A 57 LYS HGx 1.0 1.886 4.204 994 994 B 57 LYS HEx B 57 LYS HGx 1.0 1.886 4.204 995 995 A 57 LYS HBy A 57 LYS HEx 1.0 1.973 5.107 996 996 B 57 LYS HBy B 57 LYS HEx 1.0 1.973 5.107 997 997 A 44 ILE HB A 44 ILE HG1x 1.0 1.743 3.393 998 998 B 44 ILE HB B 44 ILE HG1x 1.0 1.743 3.393 999 999 A 44 ILE HB A 44 ILE HD1% 1.0 1.791 3.627 1000 1000 B 44 ILE HB B 44 ILE HD1% 1.0 1.791 3.627 1001 1001 A 44 ILE HB A 44 ILE HG1y 1.0 1.890 4.230 1002 1002 B 44 ILE HB B 44 ILE HG1y 1.0 1.890 4.230 1003 1003 A 49 PHE HBy A 49 PHE HA 1.0 1.984 5.304 1004 1004 B 49 PHE HBy B 49 PHE HA 1.0 1.984 5.304 1005 1005 A 49 PHE HBy A 49 PHE HE1 1.0 1.863 8.225 1006 1006 B 49 PHE HBy B 49 PHE HE1 1.0 1.863 8.225 1007 1007 A 55 GLU HBy A 20 VAL HGx% 1.0 2.000 6.088 1008 1008 B 55 GLU HBy B 20 VAL HGx% 1.0 2.000 6.088 1009 1009 A 109 VAL HGx% A 109 VAL HA 1.0 1.764 3.490 1010 1010 B 109 VAL HGx% B 109 VAL HA 1.0 1.764 3.490 1011 1011 A 5 PRO HA A 6 VAL HA 1.0 1.712 9.324 1012 1012 B 5 PRO HA B 6 VAL HA 1.0 1.712 9.324 1013 1013 A 5 PRO HA A 5 PRO HBx 1.0 1.848 3.948 1014 1014 B 5 PRO HA B 5 PRO HBx 1.0 1.848 3.948 1015 1015 A 5 PRO HA A 5 PRO HGx 1.0 1.994 5.572 1016 1016 B 5 PRO HA B 5 PRO HGx 1.0 1.994 5.572 1017 1017 A 5 PRO HA A 6 VAL HB 1.0 1.901 4.321 1018 1018 B 5 PRO HA B 6 VAL HB 1.0 1.901 4.321 1019 1019 A 5 PRO HA A 4 HIS HA 1.0 1.869 8.183 1020 1020 B 5 PRO HA B 4 HIS HA 1.0 1.869 8.183 1021 1021 A 96 GLN HBx A 96 GLN HG3 1.0 1.604 2.834 1022 1022 B 96 GLN HBx B 96 GLN HG3 1.0 1.604 2.834 1023 1023 A 96 GLN HBy A 96 GLN HG3 1.0 1.618 2.886 1024 1024 B 96 GLN HBy B 96 GLN HG3 1.0 1.618 2.886 1025 1025 A 78 SER HA A 78 SER HBx 1.0 1.992 5.508 1026 1026 B 78 SER HA B 78 SER HBx 1.0 1.992 5.508 1027 1027 A 78 SER HA A 112 LEU HG 1.0 1.976 6.902 1028 1028 B 78 SER HA B 112 LEU HG 1.0 1.976 6.902 1029 1029 A 78 SER HA A 77 ASN HA 1.0 1.976 6.900 1030 1030 B 78 SER HA B 77 ASN HA 1.0 1.976 6.900 1031 1031 A 98 ALA HA A 98 ALA HB% 1.0 1.679 3.113 1032 1032 B 98 ALA HA B 98 ALA HB% 1.0 1.679 3.113 1033 1033 A 115 LYS HG3 A 77 ASN HD22 1.0 1.309 11.395 1034 1034 B 115 LYS HG3 B 77 ASN HD22 1.0 1.309 11.395 1035 1035 A 77 ASN H A 115 LYS HG3 1.0 1.993 5.535 1036 1036 B 77 ASN H B 115 LYS HG3 1.0 1.993 5.535 1037 1037 A 76 TRP HA A 115 LYS HG3 1.0 1.934 4.616 1038 1038 B 76 TRP HA B 115 LYS HG3 1.0 1.934 4.616 1039 1039 A 115 LYS HG3 A 76 TRP H 1.0 1.906 4.356 1040 1040 B 115 LYS HG3 B 76 TRP H 1.0 1.906 4.356 1041 1041 A 115 LYS HG3 A 77 ASN HD21 1.0 1.132 12.138 1042 1042 B 115 LYS HG3 B 77 ASN HD21 1.0 1.132 12.138 1043 1043 A 115 LYS HBx A 115 LYS HG3 1.0 1.519 2.555 1044 1044 B 115 LYS HBx B 115 LYS HG3 1.0 1.519 2.555 1045 1045 A 114 ARG HB3 A 114 ARG HDx 1.0 1.887 4.213 1046 1046 B 114 ARG HB3 B 114 ARG HDx 1.0 1.887 4.213 1047 1047 A 114 ARG HG3 A 114 ARG HDx 1.0 1.920 4.486 1048 1048 B 114 ARG HG3 B 114 ARG HDx 1.0 1.920 4.486 1049 1049 A 75 HIS HA A 114 ARG HDx 1.0 1.727 9.225 1050 1050 B 75 HIS HA B 114 ARG HDx 1.0 1.727 9.225 1051 1051 A 74 LYS HEy A 74 LYS HEx 1.0 0.000 6.000 1052 1052 B 74 LYS HEy B 74 LYS HEx 1.0 0.000 6.000 1053 1053 A 74 LYS HEy A 74 LYS HBx 1.0 1.517 2.553 1054 1054 B 74 LYS HEy B 74 LYS HBx 1.0 1.517 2.553 1055 1055 A 74 LYS HEy A 74 LYS HDx 1.0 1.822 3.792 1056 1056 B 74 LYS HEy B 74 LYS HDx 1.0 1.822 3.792 1057 1057 A 74 LYS HEy A 74 LYS HGx 1.0 1.989 5.413 1058 1058 B 74 LYS HEy B 74 LYS HGx 1.0 1.989 5.413 1059 1059 A 74 LYS HEy A 74 LYS HA 1.0 1.748 9.088 1060 1060 B 74 LYS HEy B 74 LYS HA 1.0 1.748 9.088 1061 1061 A 74 LYS HEy A 74 LYS HGy 1.0 1.871 4.093 1062 1062 B 74 LYS HEy B 74 LYS HGy 1.0 1.871 4.093 1063 1063 A 74 LYS HEy A 74 LYS HDy 1.0 0.000 6.000 1064 1064 B 74 LYS HEy B 74 LYS HDy 1.0 0.000 6.000 1065 1065 A 97 ALA HB% A 90 LEU HDy% 1.0 1.536 2.610 1066 1066 B 97 ALA HB% B 90 LEU HDy% 1.0 1.536 2.610 1067 1067 A 97 ALA HB% A 98 ALA HA 1.0 0.000 6.000 1068 1068 B 97 ALA HB% B 98 ALA HA 1.0 0.000 6.000 1069 1069 A 97 ALA HB% A 91 THR HA 1.0 1.997 6.313 1070 1070 B 97 ALA HB% B 91 THR HA 1.0 1.997 6.313 1071 1071 A 25 LYS HDx A 25 LYS HA 1.0 1.950 7.318 1072 1072 B 25 LYS HDx B 25 LYS HA 1.0 1.950 7.318 1073 1073 A 6 VAL HGx% A 9 MET HGx 1.0 1.987 5.373 1074 1074 B 6 VAL HGx% B 9 MET HGx 1.0 1.987 5.373 1075 1075 A 6 VAL HGx% A 9 MET H 1.0 1.945 4.721 1076 1076 B 6 VAL HGx% B 9 MET H 1.0 1.945 4.721 1077 1077 A 6 VAL HGx% A 12 PHE HE1 1.0 1.996 5.640 1078 1078 B 6 VAL HGx% B 12 PHE HE1 1.0 1.996 5.640 1079 1079 A 6 VAL HGx% A 7 PHE HBx 1.0 1.899 7.901 1080 1080 B 6 VAL HGx% B 7 PHE HBx 1.0 1.899 7.901 1081 1081 A 111 VAL HB A 111 VAL HA 1.0 1.922 4.490 1082 1082 B 111 VAL HB B 111 VAL HA 1.0 1.922 4.490 1083 1083 A 76 TRP HBy A 76 TRP HBx 1.0 1.719 3.281 1084 1084 B 76 TRP HBy B 76 TRP HBx 1.0 1.719 3.281 1085 1085 A 34 LYS HBy A 34 LYS HA 1.0 1.871 4.095 1086 1086 B 34 LYS HBy B 34 LYS HA 1.0 1.871 4.095 1087 1087 A 34 LYS HEx A 34 LYS HA 1.0 1.343 11.241 1088 1088 B 34 LYS HEx B 34 LYS HA 1.0 1.343 11.241 1089 1089 A 34 LYS HBx A 34 LYS HA 1.0 1.872 4.106 1090 1090 B 34 LYS HBx B 34 LYS HA 1.0 1.872 4.106 1091 1091 A 46 ASN HA A 46 ASN H 1.0 1.781 3.571 1092 1092 B 46 ASN HA B 46 ASN H 1.0 1.781 3.571 1093 1093 A 74 LYS HBy A 74 LYS HBx 1.0 1.328 2.034 1094 1094 B 74 LYS HBy B 74 LYS HBx 1.0 1.328 2.034 1095 1095 A 74 LYS HBy A 74 LYS HDx 1.0 1.919 4.471 1096 1096 B 74 LYS HBy B 74 LYS HDx 1.0 1.919 4.471 1097 1097 A 74 LYS HBy A 74 LYS HGy 1.0 1.902 4.326 1098 1098 B 74 LYS HBy B 74 LYS HGy 1.0 1.902 4.326 1099 1099 A 59 ARG HDy A 59 ARG HBx 1.0 2.000 5.900 1100 1100 B 59 ARG HDy B 59 ARG HBx 1.0 2.000 5.900 1101 1101 A 102 ILE HB A 102 ILE HA 1.0 1.942 4.698 1102 1102 B 102 ILE HB B 102 ILE HA 1.0 1.942 4.698 1103 1103 A 30 ASP HA A 102 ILE HB 1.0 1.968 7.052 1104 1104 B 30 ASP HA B 102 ILE HB 1.0 1.968 7.052 1105 1105 A 57 LYS HA A 56 THR HB 1.0 1.975 6.919 1106 1106 B 57 LYS HA B 56 THR HB 1.0 1.975 6.919 1107 1107 A 63 PRO HGx A 63 PRO HDy 1.0 1.996 6.390 1108 1108 B 63 PRO HGx B 63 PRO HDy 1.0 1.996 6.390 1109 1109 A 63 PRO HDy A 63 PRO HDx 1.0 1.753 3.433 1110 1110 B 63 PRO HDy B 63 PRO HDx 1.0 1.753 3.433 1111 1111 A 63 PRO HDy A 63 PRO HGy 1.0 1.911 4.397 1112 1112 B 63 PRO HDy B 63 PRO HGy 1.0 1.911 4.397 1113 1113 A 63 PRO HDy A 63 PRO HBy 1.0 1.951 7.289 1114 1114 B 63 PRO HDy B 63 PRO HBy 1.0 1.951 7.289 1115 1115 A 42 VAL HA A 90 LEU HDx% 1.0 1.933 4.601 1116 1116 B 42 VAL HA B 90 LEU HDx% 1.0 1.933 4.601 1117 1117 A 42 VAL HGy% A 42 VAL HA 1.0 1.853 3.977 1118 1118 B 42 VAL HGy% B 42 VAL HA 1.0 1.853 3.977 1119 1119 A 57 LYS HBx A 57 LYS HGx 1.0 1.896 4.286 1120 1120 B 57 LYS HBx B 57 LYS HGx 1.0 1.896 4.286 1121 1121 A 57 LYS HA A 57 LYS HGx 1.0 1.987 5.353 1122 1122 B 57 LYS HA B 57 LYS HGx 1.0 1.987 5.353 1123 1123 A 57 LYS HDy A 57 LYS HGx 1.0 1.758 3.460 1124 1124 B 57 LYS HDy B 57 LYS HGx 1.0 1.758 3.460 1125 1125 A 57 LYS HBy A 57 LYS HGx 1.0 1.778 3.554 1126 1126 B 57 LYS HBy B 57 LYS HGx 1.0 1.778 3.554 1127 1127 A 34 LYS HD3 A 34 LYS HA 1.0 1.785 3.591 1128 1128 B 34 LYS HD3 B 34 LYS HA 1.0 1.785 3.591 1129 1129 A 34 LYS HD3 A 34 LYS HBy 1.0 1.633 2.939 1130 1130 B 34 LYS HD3 B 34 LYS HBy 1.0 1.633 2.939 1131 1131 A 34 LYS HD3 A 34 LYS HGx 1.0 0.000 6.000 1132 1132 B 34 LYS HD3 B 34 LYS HGx 1.0 0.000 6.000 1133 1133 A 34 LYS HD3 A 34 LYS HGy 1.0 0.000 6.000 1134 1134 B 34 LYS HD3 B 34 LYS HGy 1.0 0.000 6.000 1135 1135 A 32 LYS HGy A 32 LYS HA 1.0 1.881 4.167 1136 1136 B 32 LYS HGy B 32 LYS HA 1.0 1.881 4.167 1137 1137 A 32 LYS HGy A 32 LYS HB3 1.0 1.837 3.883 1138 1138 B 32 LYS HGy B 32 LYS HB3 1.0 1.837 3.883 1139 1139 A 69 ARG HDx A 69 ARG HBx 1.0 1.999 6.191 1140 1140 B 69 ARG HDx B 69 ARG HBx 1.0 1.999 6.191 1141 1141 A 69 ARG HDx A 69 ARG HBy 1.0 1.993 6.453 1142 1142 B 69 ARG HDx B 69 ARG HBy 1.0 1.993 6.453 1143 1143 A 69 ARG HDx A 64 VAL HGy% 1.0 1.913 7.755 1144 1144 B 69 ARG HDx B 64 VAL HGy% 1.0 1.913 7.755 1145 1145 A 69 ARG HDx A 69 ARG HGx 1.0 1.896 4.286 1146 1146 B 69 ARG HDx B 69 ARG HGx 1.0 1.896 4.286 1147 1147 A 69 ARG HDx A 69 ARG HGy 1.0 2.000 5.936 1148 1148 B 69 ARG HDx B 69 ARG HGy 1.0 2.000 5.936 1149 1149 A 109 VAL HGx% A 82 THR HA 1.0 1.992 6.528 1150 1150 B 109 VAL HGx% B 82 THR HA 1.0 1.992 6.528 1151 1151 A 82 THR HA A 82 THR HB 1.0 1.903 4.339 1152 1152 B 82 THR HA B 82 THR HB 1.0 1.903 4.339 1153 1153 A 81 THR HA A 82 THR HB 1.0 1.833 8.481 1154 1154 B 81 THR HA B 82 THR HB 1.0 1.833 8.481 1155 1155 A 50 ARG HB3 A 49 PHE HA 1.0 1.933 7.525 1156 1156 B 50 ARG HB3 B 49 PHE HA 1.0 1.933 7.525 1157 1157 A 50 ARG HB3 A 50 ARG HDx 1.0 1.992 5.524 1158 1158 B 50 ARG HB3 B 50 ARG HDx 1.0 1.992 5.524 1159 1159 A 112 LEU HBy A 112 LEU HBx 1.0 1.796 3.648 1160 1160 B 112 LEU HBy B 112 LEU HBx 1.0 1.796 3.648 1161 1161 A 41 GLU HG3 A 41 GLU HA 1.0 1.953 4.825 1162 1162 B 41 GLU HG3 B 41 GLU HA 1.0 1.953 4.825 1163 1163 A 41 GLU HBx A 41 GLU HG3 1.0 1.743 3.389 1164 1164 B 41 GLU HBx B 41 GLU HG3 1.0 1.743 3.389 1165 1165 A 42 VAL H A 41 GLU HG3 1.0 1.911 7.781 1166 1166 B 42 VAL H B 41 GLU HG3 1.0 1.911 7.781 1167 1167 A 41 GLU HG3 A 40 ALA HB% 1.0 1.722 3.294 1168 1168 B 41 GLU HG3 B 40 ALA HB% 1.0 1.722 3.294 1169 1169 A 74 LYS HDx A 74 LYS HGy 1.0 1.674 3.096 1170 1170 B 74 LYS HDx B 74 LYS HGy 1.0 1.674 3.096 1171 1171 A 3 THR HA A 3 THR HG2% 1.0 1.637 2.953 1172 1172 B 3 THR HA B 3 THR HG2% 1.0 1.637 2.953 1173 1173 A 3 THR HB A 3 THR HG2% 1.0 1.514 2.542 1174 1174 B 3 THR HB B 3 THR HG2% 1.0 1.514 2.542 1175 1175 A 3 THR HG2% A 3 THR H 1.0 1.963 4.945 1176 1176 B 3 THR HG2% B 3 THR H 1.0 1.963 4.945 1177 1177 A 26 THR HG2% A 26 THR HB 1.0 1.541 2.627 1178 1178 B 26 THR HG2% B 26 THR HB 1.0 1.541 2.627 1179 1179 A 14 VAL HGy% A 68 CYS HBy 1.0 1.999 5.869 1180 1180 B 14 VAL HGy% B 68 CYS HBy 1.0 1.999 5.869 1181 1181 A 14 VAL HGy% A 71 ILE HD1% 1.0 0.000 6.000 1182 1182 B 14 VAL HGy% B 71 ILE HD1% 1.0 0.000 6.000 1183 1183 A 14 VAL HGy% A 14 VAL HA 1.0 1.937 4.649 1184 1184 B 14 VAL HGy% B 14 VAL HA 1.0 1.937 4.649 1185 1185 A 14 VAL HGy% A 15 CYS HBx 1.0 1.939 4.661 1186 1186 B 14 VAL HGy% B 15 CYS HBx 1.0 1.939 4.661 1187 1187 A 14 VAL HGy% A 13 SER HA 1.0 1.974 6.934 1188 1188 B 14 VAL HGy% B 13 SER HA 1.0 1.974 6.934 1189 1189 A 102 ILE HG2% A 102 ILE HA 1.0 1.788 3.608 1190 1190 B 102 ILE HG2% B 102 ILE HA 1.0 1.788 3.608 1191 1191 A 102 ILE HB A 102 ILE HG2% 1.0 1.569 2.715 1192 1192 B 102 ILE HB B 102 ILE HG2% 1.0 1.569 2.715 1193 1193 A 30 ASP HBx A 102 ILE HG2% 1.0 1.998 6.262 1194 1194 B 30 ASP HBx B 102 ILE HG2% 1.0 1.998 6.262 1195 1195 A 28 ALA HA A 102 ILE HG2% 1.0 2.000 6.092 1196 1196 B 28 ALA HA B 102 ILE HG2% 1.0 2.000 6.092 1197 1197 A 102 ILE HG1y A 102 ILE HG2% 1.0 1.530 2.594 1198 1198 B 102 ILE HG1y B 102 ILE HG2% 1.0 1.530 2.594 1199 1199 A 6 VAL HGx% A 6 VAL HA 1.0 1.664 3.060 1200 1200 B 6 VAL HGx% B 6 VAL HA 1.0 1.664 3.060 1201 1201 A 6 VAL HGy% A 6 VAL HA 1.0 1.704 3.218 1202 1202 B 6 VAL HGy% B 6 VAL HA 1.0 1.704 3.218 1203 1203 A 4 HIS HBx A 6 VAL HA 1.0 1.947 7.353 1204 1204 B 4 HIS HBx B 6 VAL HA 1.0 1.947 7.353 1205 1205 A 7 PHE HBx A 6 VAL HA 1.0 1.840 8.422 1206 1206 B 7 PHE HBx B 6 VAL HA 1.0 1.840 8.422 1207 1207 A 9 MET HA A 6 VAL HA 1.0 1.962 7.154 1208 1208 B 9 MET HA B 6 VAL HA 1.0 1.962 7.154 1209 1209 A 88 LYS HA A 88 LYS H 1.0 1.940 4.676 1210 1210 B 88 LYS HA B 88 LYS H 1.0 1.940 4.676 1211 1211 A 103 ARG HBy A 103 ARG HDy 1.0 1.965 4.983 1212 1212 B 103 ARG HBy B 103 ARG HDy 1.0 1.965 4.983 1213 1213 A 112 LEU HDx% A 112 LEU HBx 1.0 1.795 3.641 1214 1214 B 112 LEU HDx% B 112 LEU HBx 1.0 1.795 3.641 1215 1215 A 112 LEU HDx% A 76 TRP HBx 1.0 1.901 4.315 1216 1216 B 112 LEU HDx% B 76 TRP HBx 1.0 1.901 4.315 1217 1217 A 112 LEU HDx% A 76 TRP HZ2 1.0 1.989 5.407 1218 1218 B 112 LEU HDx% B 76 TRP HZ2 1.0 1.989 5.407 1219 1219 A 112 LEU HDx% A 112 LEU HG 1.0 1.554 2.670 1220 1220 B 112 LEU HDx% B 112 LEU HG 1.0 1.554 2.670 1221 1221 A 112 LEU HDx% A 71 ILE HA 1.0 1.918 4.466 1222 1222 B 112 LEU HDx% B 71 ILE HA 1.0 1.918 4.466 1223 1223 A 112 LEU HDx% A 111 VAL HGy% 1.0 1.999 5.933 1224 1224 B 112 LEU HDx% B 111 VAL HGy% 1.0 1.999 5.933 1225 1225 A 71 ILE HD1% A 70 GLY HAy 1.0 1.889 7.995 1226 1226 B 71 ILE HD1% B 70 GLY HAy 1.0 1.889 7.995 1227 1227 A 68 CYS HBx A 71 ILE HD1% 1.0 1.979 6.845 1228 1228 B 68 CYS HBx B 71 ILE HD1% 1.0 1.979 6.845 1229 1229 A 76 TRP HBy A 71 ILE HD1% 1.0 1.981 5.227 1230 1230 B 76 TRP HBy B 71 ILE HD1% 1.0 1.981 5.227 1231 1231 A 71 ILE HD1% A 71 ILE HA 1.0 1.661 3.047 1232 1232 B 71 ILE HD1% B 71 ILE HA 1.0 1.661 3.047 1233 1233 A 71 ILE HD1% A 70 GLY HAx 1.0 1.996 6.374 1234 1234 B 71 ILE HD1% B 70 GLY HAx 1.0 1.996 6.374 1235 1235 A 71 ILE HD1% A 71 ILE HG1x 1.0 1.520 2.560 1236 1236 B 71 ILE HD1% B 71 ILE HG1x 1.0 1.520 2.560 1237 1237 A 9 MET H A 9 MET HBy 1.0 1.916 7.726 1238 1238 B 9 MET H B 9 MET HBy 1.0 1.916 7.726 1239 1239 A 85 THR HA A 86 PHE HA 1.0 1.988 6.638 1240 1240 B 85 THR HA B 86 PHE HA 1.0 1.988 6.638 1241 1241 A 87 VAL HGx% A 86 PHE HA 1.0 1.998 6.234 1242 1242 B 87 VAL HGx% B 86 PHE HA 1.0 1.998 6.234 1243 1243 A 86 PHE HBy A 86 PHE HA 1.0 1.943 4.711 1244 1244 B 86 PHE HBy B 86 PHE HA 1.0 1.943 4.711 1245 1245 A 86 PHE HBx A 86 PHE HA 1.0 1.994 6.434 1246 1246 B 86 PHE HBx B 86 PHE HA 1.0 1.994 6.434 1247 1247 A 32 LYS HGx A 32 LYS HD3 1.0 0.000 6.000 1248 1248 B 32 LYS HGx B 32 LYS HD3 1.0 0.000 6.000 1249 1249 A 32 LYS HD3 A 34 LYS H 1.0 1.931 7.549 1250 1250 B 32 LYS HD3 B 34 LYS H 1.0 1.931 7.549 1251 1251 A 32 LYS HGy A 32 LYS HD3 1.0 1.639 2.963 1252 1252 B 32 LYS HGy B 32 LYS HD3 1.0 1.639 2.963 1253 1253 A 32 LYS HA A 32 LYS HD3 1.0 0.000 6.000 1254 1254 B 32 LYS HA B 32 LYS HD3 1.0 0.000 6.000 1255 1255 A 31 ILE HG2% A 32 LYS HD3 1.0 1.921 4.489 1256 1256 B 31 ILE HG2% B 32 LYS HD3 1.0 1.921 4.489 1257 1257 A 32 LYS HB3 A 32 LYS HD3 1.0 1.498 2.494 1258 1258 B 32 LYS HB3 B 32 LYS HD3 1.0 1.498 2.494 1259 1259 A 10 GLY HAx A 11 GLU HA 1.0 1.881 8.079 1260 1260 B 10 GLY HAx B 11 GLU HA 1.0 1.881 8.079 1261 1261 A 5 PRO HBx A 5 PRO HDx 1.0 1.935 7.497 1262 1262 B 5 PRO HBx B 5 PRO HDx 1.0 1.935 7.497 1263 1263 A 5 PRO HBx A 5 PRO HDy 1.0 1.986 5.348 1264 1264 B 5 PRO HBx B 5 PRO HDy 1.0 1.986 5.348 1265 1265 A 115 LYS HDx A 76 TRP H 1.0 1.885 4.197 1266 1266 B 115 LYS HDx B 76 TRP H 1.0 1.885 4.197 1267 1267 A 115 LYS HA A 115 LYS HDx 1.0 1.474 10.630 1268 1268 B 115 LYS HA B 115 LYS HDx 1.0 1.474 10.630 1269 1269 A 115 LYS HDx A 115 LYS HG3 1.0 1.474 2.422 1270 1270 B 115 LYS HDx B 115 LYS HG3 1.0 1.474 2.422 1271 1271 A 103 ARG HBy A 103 ARG H 1.0 1.881 8.069 1272 1272 B 103 ARG HBy B 103 ARG H 1.0 1.881 8.069 1273 1273 A 64 VAL HGx% A 65 GLU H 1.0 1.968 5.016 1274 1274 B 64 VAL HGx% B 65 GLU H 1.0 1.968 5.016 1275 1275 A 64 VAL HGx% A 68 CYS H 1.0 0.000 6.000 1276 1276 B 64 VAL HGx% B 68 CYS H 1.0 0.000 6.000 1277 1277 A 64 VAL HGx% A 64 VAL HB 1.0 1.440 2.326 1278 1278 B 64 VAL HGx% B 64 VAL HB 1.0 1.440 2.326 1279 1279 A 64 VAL HA A 64 VAL HGx% 1.0 1.712 3.254 1280 1280 B 64 VAL HA B 64 VAL HGx% 1.0 1.712 3.254 1281 1281 A 64 VAL HGx% A 69 ARG HA 1.0 1.743 3.393 1282 1282 B 64 VAL HGx% B 69 ARG HA 1.0 1.743 3.393 1283 1283 A 64 VAL HGx% A 64 VAL HGy% 1.0 1.281 1.923 1284 1284 B 64 VAL HGx% B 64 VAL HGy% 1.0 1.281 1.923 1285 1285 A 64 VAL HGx% A 69 ARG HGx 1.0 1.477 2.433 1286 1286 B 64 VAL HGx% B 69 ARG HGx 1.0 1.477 2.433 1287 1287 A 103 ARG HBx A 103 ARG HDx 1.0 1.849 3.953 1288 1288 B 103 ARG HBx B 103 ARG HDx 1.0 1.849 3.953 1289 1289 A 103 ARG HBy A 103 ARG HDx 1.0 1.832 3.846 1290 1290 B 103 ARG HBy B 103 ARG HDx 1.0 1.832 3.846 1291 1291 A 118 ARG HBy A 118 ARG HG3 1.0 1.602 2.830 1292 1292 B 118 ARG HBy B 118 ARG HG3 1.0 1.602 2.830 1293 1293 A 25 LYS HEy A 25 LYS HEx 1.0 1.509 2.527 1294 1294 B 25 LYS HEy B 25 LYS HEx 1.0 1.509 2.527 1295 1295 A 25 LYS HDx A 25 LYS HEx 1.0 1.906 4.356 1296 1296 B 25 LYS HDx B 25 LYS HEx 1.0 1.906 4.356 1297 1297 A 25 LYS HBy A 25 LYS HEx 1.0 1.791 8.789 1298 1298 B 25 LYS HBy B 25 LYS HEx 1.0 1.791 8.789 1299 1299 A 25 LYS HGy A 25 LYS HEx 1.0 1.819 3.777 1300 1300 B 25 LYS HGy B 25 LYS HEx 1.0 1.819 3.777 1301 1301 A 102 ILE HD1% A 104 ILE HD1% 1.0 0.000 6.000 1302 1302 B 102 ILE HD1% B 104 ILE HD1% 1.0 0.000 6.000 1303 1303 A 87 VAL HGx% A 102 ILE HD1% 1.0 0.000 6.000 1304 1304 B 87 VAL HGx% B 102 ILE HD1% 1.0 0.000 6.000 1305 1305 A 102 ILE HB A 102 ILE HD1% 1.0 1.689 3.157 1306 1306 B 102 ILE HB B 102 ILE HD1% 1.0 1.689 3.157 1307 1307 A 102 ILE HG2% A 102 ILE HD1% 1.0 1.450 2.354 1308 1308 B 102 ILE HG2% B 102 ILE HD1% 1.0 1.450 2.354 1309 1309 A 38 VAL HB A 102 ILE HD1% 1.0 1.931 4.589 1310 1310 B 38 VAL HB B 102 ILE HD1% 1.0 1.931 4.589 1311 1311 A 102 ILE HD1% A 25 LYS HEx 1.0 1.844 3.924 1312 1312 B 102 ILE HD1% B 25 LYS HEx 1.0 1.844 3.924 1313 1313 A 102 ILE HG1y A 102 ILE HD1% 1.0 1.391 2.193 1314 1314 B 102 ILE HG1y B 102 ILE HD1% 1.0 1.391 2.193 1315 1315 A 87 VAL HGy% A 102 ILE HD1% 1.0 1.695 3.183 1316 1316 B 87 VAL HGy% B 102 ILE HD1% 1.0 1.695 3.183 1317 1317 A 28 ALA HB% A 102 ILE HD1% 1.0 0.000 6.000 1318 1318 B 28 ALA HB% B 102 ILE HD1% 1.0 0.000 6.000 1319 1319 A 103 ARG HBx A 103 ARG HGx 1.0 1.598 2.818 1320 1320 B 103 ARG HBx B 103 ARG HGx 1.0 1.598 2.818 1321 1321 A 39 LEU HDx% A 92 THR HA 1.0 1.999 6.115 1322 1322 B 39 LEU HDx% B 92 THR HA 1.0 1.999 6.115 1323 1323 A 31 ILE HD1% A 31 ILE HB 1.0 1.700 3.200 1324 1324 B 31 ILE HD1% B 31 ILE HB 1.0 1.700 3.200 1325 1325 A 31 ILE HD1% A 31 ILE HA 1.0 1.987 6.643 1326 1326 B 31 ILE HD1% B 31 ILE HA 1.0 1.987 6.643 1327 1327 A 31 ILE HD1% A 86 PHE HZ 1.0 1.977 6.893 1328 1328 B 31 ILE HD1% B 86 PHE HZ 1.0 1.977 6.893 1329 1329 A 31 ILE HD1% A 86 PHE HBx 1.0 1.997 5.669 1330 1330 B 31 ILE HD1% B 86 PHE HBx 1.0 1.997 5.669 1331 1331 A 31 ILE HD1% A 31 ILE HG1x 1.0 1.549 2.651 1332 1332 B 31 ILE HD1% B 31 ILE HG1x 1.0 1.549 2.651 1333 1333 A 31 ILE HD1% A 31 ILE HG1y 1.0 1.541 2.627 1334 1334 B 31 ILE HD1% B 31 ILE HG1y 1.0 1.541 2.627 1335 1335 A 31 ILE HD1% A 31 ILE HG2% 1.0 1.484 2.454 1336 1336 B 31 ILE HD1% B 31 ILE HG2% 1.0 1.484 2.454 1337 1337 A 31 ILE HD1% A 101 PHE HBy 1.0 1.830 3.838 1338 1338 B 31 ILE HD1% B 101 PHE HBy 1.0 1.830 3.838 1339 1339 A 63 PRO HBx A 63 PRO HDx 1.0 1.803 8.701 1340 1340 B 63 PRO HBx B 63 PRO HDx 1.0 1.803 8.701 1341 1341 A 63 PRO HBx A 63 PRO HGy 1.0 1.721 3.291 1342 1342 B 63 PRO HBx B 63 PRO HGy 1.0 1.721 3.291 1343 1343 A 63 PRO HDy A 63 PRO HBx 1.0 1.995 5.617 1344 1344 B 63 PRO HDy B 63 PRO HBx 1.0 1.995 5.617 1345 1345 A 63 PRO HBy A 63 PRO HBx 1.0 1.542 2.630 1346 1346 B 63 PRO HBy B 63 PRO HBx 1.0 1.542 2.630 1347 1347 A 63 PRO HA A 63 PRO HBx 1.0 1.858 4.012 1348 1348 B 63 PRO HA B 63 PRO HBx 1.0 1.858 4.012 1349 1349 A 35 GLU HA A 27 THR HB 1.0 1.999 5.899 1350 1350 B 35 GLU HA B 27 THR HB 1.0 1.999 5.899 1351 1351 A 28 ALA HA A 27 THR HB 1.0 1.997 5.659 1352 1352 B 28 ALA HA B 27 THR HB 1.0 1.997 5.659 1353 1353 A 27 THR HB A 27 THR HA 1.0 1.763 3.481 1354 1354 B 27 THR HB B 27 THR HA 1.0 1.763 3.481 1355 1355 A 27 THR HB A 38 VAL HGy% 1.0 1.989 6.593 1356 1356 B 27 THR HB B 38 VAL HGy% 1.0 1.989 6.593 1357 1357 A 27 THR HB A 35 GLU HB3 1.0 1.677 9.535 1358 1358 B 27 THR HB B 35 GLU HB3 1.0 1.677 9.535 1359 1359 A 12 PHE HE1 A 12 PHE HBx 1.0 1.767 8.967 1360 1360 B 12 PHE HE1 B 12 PHE HBx 1.0 1.767 8.967 1361 1361 A 12 PHE HBx A 12 PHE HA 1.0 1.988 5.408 1362 1362 B 12 PHE HBx B 12 PHE HA 1.0 1.988 5.408 1363 1363 A 12 PHE HBx A 12 PHE HBy 1.0 1.565 2.705 1364 1364 B 12 PHE HBx B 12 PHE HBy 1.0 1.565 2.705 1365 1365 A 57 LYS HGy A 57 LYS HEy 1.0 1.743 3.391 1366 1366 B 57 LYS HGy B 57 LYS HEy 1.0 1.743 3.391 1367 1367 A 57 LYS HEx A 57 LYS HEy 1.0 1.321 2.017 1368 1368 B 57 LYS HEx B 57 LYS HEy 1.0 1.321 2.017 1369 1369 A 57 LYS HA A 57 LYS HEy 1.0 1.772 8.928 1370 1370 B 57 LYS HA B 57 LYS HEy 1.0 1.772 8.928 1371 1371 A 57 LYS HBy A 57 LYS HEy 1.0 1.804 8.698 1372 1372 B 57 LYS HBy B 57 LYS HEy 1.0 1.804 8.698 1373 1373 A 21 TRP HBy A 21 TRP HZ3 1.0 1.389 11.033 1374 1374 B 21 TRP HBy B 21 TRP HZ3 1.0 1.389 11.033 1375 1375 A 21 TRP HBy A 21 TRP HE1 1.0 1.334 11.284 1376 1376 B 21 TRP HBy B 21 TRP HE1 1.0 1.334 11.284 1377 1377 A 79 TYR HBx A 61 SER HB3 1.0 1.850 8.340 1378 1378 B 79 TYR HBx B 61 SER HB3 1.0 1.850 8.340 1379 1379 A 79 TYR HBx A 79 TYR HA 1.0 1.932 4.594 1380 1380 B 79 TYR HBx B 79 TYR HA 1.0 1.932 4.594 1381 1381 A 69 ARG HBx A 69 ARG HBy 1.0 1.613 2.869 1382 1382 B 69 ARG HBx B 69 ARG HBy 1.0 1.613 2.869 1383 1383 A 69 ARG HGy A 69 ARG HBy 1.0 1.798 3.664 1384 1384 B 69 ARG HGy B 69 ARG HBy 1.0 1.798 3.664 1385 1385 A 9 MET HBx A 9 MET HA 1.0 1.845 3.929 1386 1386 B 9 MET HBx B 9 MET HA 1.0 1.845 3.929 1387 1387 A 25 LYS HDx A 25 LYS HBy 1.0 1.758 3.460 1388 1388 B 25 LYS HDx B 25 LYS HBy 1.0 1.758 3.460 1389 1389 A 25 LYS HDy A 25 LYS HBy 1.0 0.000 6.000 1390 1390 B 25 LYS HDy B 25 LYS HBy 1.0 0.000 6.000 1391 1391 A 44 ILE HG1x A 44 ILE HD1% 1.0 1.717 3.271 1392 1392 B 44 ILE HG1x B 44 ILE HD1% 1.0 1.717 3.271 1393 1393 A 44 ILE HG1x A 44 ILE HG1y 1.0 1.528 2.586 1394 1394 B 44 ILE HG1x B 44 ILE HG1y 1.0 1.528 2.586 1395 1395 A 85 THR HA A 85 THR HG2% 1.0 1.978 5.180 1396 1396 B 85 THR HA B 85 THR HG2% 1.0 1.978 5.180 1397 1397 A 84 HIS HA A 85 THR HG2% 1.0 1.984 6.742 1398 1398 B 84 HIS HA B 85 THR HG2% 1.0 1.984 6.742 1399 1399 A 85 THR HB A 85 THR HG2% 1.0 1.606 2.842 1400 1400 B 85 THR HB B 85 THR HG2% 1.0 1.606 2.842 1401 1401 A 86 PHE HA A 85 THR HG2% 1.0 1.988 5.392 1402 1402 B 86 PHE HA B 85 THR HG2% 1.0 1.988 5.392 1403 1403 A 87 VAL HA A 85 THR HG2% 1.0 0.000 6.000 1404 1404 B 87 VAL HA B 85 THR HG2% 1.0 0.000 6.000 1405 1405 A 106 THR HA A 85 THR HG2% 1.0 1.970 5.052 1406 1406 B 106 THR HA B 85 THR HG2% 1.0 1.970 5.052 1407 1407 A 85 THR HG1 A 85 THR HG2% 1.0 1.897 4.287 1408 1408 B 85 THR HG1 B 85 THR HG2% 1.0 1.897 4.287 1409 1409 A 58 CYS HA A 58 CYS HBy 1.0 1.979 5.201 1410 1410 B 58 CYS HA B 58 CYS HBy 1.0 1.979 5.201 1411 1411 A 58 CYS HA A 58 CYS HBx 1.0 1.999 6.169 1412 1412 B 58 CYS HA B 58 CYS HBx 1.0 1.999 6.169 1413 1413 A 5 PRO HGx A 12 PHE HE1 1.0 0.291 15.103 1414 1414 B 5 PRO HGx B 12 PHE HE1 1.0 0.291 15.103 1415 1415 A 30 ASP HA A 30 ASP HBx 1.0 1.990 6.560 1416 1416 B 30 ASP HA B 30 ASP HBx 1.0 1.990 6.560 1417 1417 A 14 VAL HA A 14 VAL H 1.0 2.000 5.982 1418 1418 B 14 VAL HA B 14 VAL H 1.0 2.000 5.982 1419 1419 A 67 GLY HAx A 64 VAL HGy% 1.0 1.988 6.638 1420 1420 B 67 GLY HAx B 64 VAL HGy% 1.0 1.988 6.638 1421 1421 A 15 CYS HBx A 15 CYS HBy 1.0 1.750 3.422 1422 1422 B 15 CYS HBx B 15 CYS HBy 1.0 1.750 3.422 1423 1423 A 15 CYS HA A 15 CYS HBy 1.0 1.991 6.555 1424 1424 B 15 CYS HA B 15 CYS HBy 1.0 1.991 6.555 1425 1425 A 56 THR HA A 18 VAL H 1.0 1.912 7.772 1426 1426 B 56 THR HA B 18 VAL H 1.0 1.912 7.772 1427 1427 A 56 THR HB A 56 THR HA 1.0 1.983 5.281 1428 1428 B 56 THR HB B 56 THR HA 1.0 1.983 5.281 1429 1429 A 56 THR HA A 20 VAL HGy% 1.0 1.955 4.847 1430 1430 B 56 THR HA B 20 VAL HGy% 1.0 1.955 4.847 1431 1431 A 74 LYS HGx A 74 LYS HBx 1.0 1.925 4.523 1432 1432 B 74 LYS HGx B 74 LYS HBx 1.0 1.925 4.523 1433 1433 A 74 LYS HGx A 75 HIS HD2 1.0 1.511 10.447 1434 1434 B 74 LYS HGx B 75 HIS HD2 1.0 1.511 10.447 1435 1435 A 74 LYS HBy A 74 LYS HGx 1.0 1.834 3.860 1436 1436 B 74 LYS HBy B 74 LYS HGx 1.0 1.834 3.860 1437 1437 A 74 LYS HGx A 74 LYS HDx 1.0 1.785 3.591 1438 1438 B 74 LYS HGx B 74 LYS HDx 1.0 1.785 3.591 1439 1439 A 74 LYS HGx A 74 LYS HA 1.0 1.877 4.137 1440 1440 B 74 LYS HGx B 74 LYS HA 1.0 1.877 4.137 1441 1441 A 75 HIS HBy A 75 HIS HE1 1.0 1.649 9.703 1442 1442 B 75 HIS HBy B 75 HIS HE1 1.0 1.649 9.703 1443 1443 A 88 LYS HD3 A 88 LYS HB3 1.0 1.399 2.217 1444 1444 B 88 LYS HD3 B 88 LYS HB3 1.0 1.399 2.217 1445 1445 A 88 LYS HD3 A 88 LYS HG3 1.0 0.000 6.000 1446 1446 B 88 LYS HD3 B 88 LYS HG3 1.0 0.000 6.000 1447 1447 A 88 LYS HD3 A 88 LYS HE3 1.0 0.000 6.000 1448 1448 B 88 LYS HD3 B 88 LYS HE3 1.0 0.000 6.000 1449 1449 A 22 VAL HGx% A 24 ASP HBy 1.0 1.956 7.232 1450 1450 B 22 VAL HGx% B 24 ASP HBy 1.0 1.956 7.232 1451 1451 A 22 VAL HGx% A 22 VAL HB 1.0 1.411 2.247 1452 1452 B 22 VAL HGx% B 22 VAL HB 1.0 1.411 2.247 1453 1453 A 22 VAL HGx% A 53 PHE HBx 1.0 1.997 6.291 1454 1454 B 22 VAL HGx% B 53 PHE HBx 1.0 1.997 6.291 1455 1455 A 22 VAL HGx% A 53 PHE HD1 1.0 1.944 7.392 1456 1456 B 22 VAL HGx% B 53 PHE HD1 1.0 1.944 7.392 1457 1457 A 95 LYS H A 94 GLU HA 1.0 1.983 6.737 1458 1458 B 95 LYS H B 94 GLU HA 1.0 1.983 6.737 1459 1459 A 94 GLU HB3 A 94 GLU HA 1.0 1.818 3.766 1460 1460 B 94 GLU HB3 B 94 GLU HA 1.0 1.818 3.766 1461 1461 A 94 GLU HGx A 94 GLU HA 1.0 1.840 3.896 1462 1462 B 94 GLU HGx B 94 GLU HA 1.0 1.840 3.896 1463 1463 A 94 GLU HA A 94 GLU H 1.0 1.927 4.543 1464 1464 B 94 GLU HA B 94 GLU H 1.0 1.927 4.543 1465 1465 A 81 THR HB A 81 THR H 1.0 1.991 5.483 1466 1466 B 81 THR HB B 81 THR H 1.0 1.991 5.483 1467 1467 A 22 VAL HA A 20 VAL HGx% 1.0 1.637 2.953 1468 1468 B 22 VAL HA B 20 VAL HGx% 1.0 1.637 2.953 1469 1469 A 20 VAL HGx% A 20 VAL HA 1.0 1.715 3.267 1470 1470 B 20 VAL HGx% B 20 VAL HA 1.0 1.715 3.267 1471 1471 A 20 VAL HGx% A 55 GLU H 1.0 1.965 4.981 1472 1472 B 20 VAL HGx% B 55 GLU H 1.0 1.965 4.981 1473 1473 A 41 GLU HBx A 41 GLU HA 1.0 1.806 3.704 1474 1474 B 41 GLU HBx B 41 GLU HA 1.0 1.806 3.704 1475 1475 A 41 GLU HBx A 43 ASN H 1.0 1.918 7.694 1476 1476 B 41 GLU HBx B 43 ASN H 1.0 1.918 7.694 1477 1477 A 42 VAL H A 41 GLU HBx 1.0 1.812 3.734 1478 1478 B 42 VAL H B 41 GLU HBx 1.0 1.812 3.734 1479 1479 A 56 THR HB A 107 ALA HB% 1.0 1.956 7.230 1480 1480 B 56 THR HB B 107 ALA HB% 1.0 1.956 7.230 1481 1481 A 109 VAL HGx% A 107 ALA HB% 1.0 0.000 6.000 1482 1482 B 109 VAL HGx% B 107 ALA HB% 1.0 0.000 6.000 1483 1483 A 107 ALA HB% A 107 ALA HA 1.0 1.534 2.606 1484 1484 B 107 ALA HB% B 107 ALA HA 1.0 1.534 2.606 1485 1485 A 87 VAL HGx% A 87 VAL HB 1.0 1.471 2.413 1486 1486 B 87 VAL HGx% B 87 VAL HB 1.0 1.471 2.413 1487 1487 A 87 VAL HB A 85 THR HG2% 1.0 0.000 6.000 1488 1488 B 87 VAL HB B 85 THR HG2% 1.0 0.000 6.000 1489 1489 A 87 VAL HB A 87 VAL HA 1.0 1.809 3.717 1490 1490 B 87 VAL HB B 87 VAL HA 1.0 1.809 3.717 1491 1491 A 87 VAL HGy% A 87 VAL HB 1.0 1.481 2.443 1492 1492 B 87 VAL HGy% B 87 VAL HB 1.0 1.481 2.443 1493 1493 A 65 GLU HB3 A 65 GLU HA 1.0 1.799 3.661 1494 1494 B 65 GLU HB3 B 65 GLU HA 1.0 1.799 3.661 1495 1495 A 65 GLU HB3 A 66 SER H 1.0 1.964 7.110 1496 1496 B 65 GLU HB3 B 66 SER H 1.0 1.964 7.110 1497 1497 A 20 VAL HA A 19 SER HBy 1.0 1.945 7.375 1498 1498 B 20 VAL HA B 19 SER HBy 1.0 1.945 7.375 1499 1499 A 91 THR HB A 91 THR H 1.0 1.973 6.957 1500 1500 B 91 THR HB B 91 THR H 1.0 1.973 6.957 1501 1501 A 44 ILE HG2% A 45 ASN HBy 1.0 1.999 6.193 1502 1502 B 44 ILE HG2% B 45 ASN HBy 1.0 1.999 6.193 1503 1503 A 45 ASN HA A 45 ASN HBy 1.0 1.992 5.478 1504 1504 B 45 ASN HA B 45 ASN HBy 1.0 1.992 5.478 1505 1505 A 8 HIS HA A 8 HIS HBy 1.0 1.952 4.810 1506 1506 B 8 HIS HA B 8 HIS HBy 1.0 1.952 4.810 1507 1507 A 9 MET HBx A 8 HIS HBy 1.0 1.758 9.024 1508 1508 B 9 MET HBx B 8 HIS HBy 1.0 1.758 9.024 1509 1509 A 95 LYS HD3 A 94 GLU HGy 1.0 1.641 9.751 1510 1510 B 95 LYS HD3 B 94 GLU HGy 1.0 1.641 9.751 1511 1511 A 94 GLU HA A 94 GLU HGy 1.0 1.987 5.379 1512 1512 B 94 GLU HA B 94 GLU HGy 1.0 1.987 5.379 1513 1513 A 94 GLU HB3 A 94 GLU HGy 1.0 1.431 2.303 1514 1514 B 94 GLU HB3 B 94 GLU HGy 1.0 1.431 2.303 1515 1515 A 94 GLU HGx A 94 GLU HGy 1.0 0.000 6.000 1516 1516 B 94 GLU HGx B 94 GLU HGy 1.0 0.000 6.000 1517 1517 A 90 LEU HBy A 90 LEU HG 1.0 1.800 3.672 1518 1518 B 90 LEU HBy B 90 LEU HG 1.0 1.800 3.672 1519 1519 A 90 LEU HBy A 90 LEU HDx% 1.0 1.910 4.392 1520 1520 B 90 LEU HBy B 90 LEU HDx% 1.0 1.910 4.392 1521 1521 A 45 ASN HBx A 44 ILE HG2% 1.0 1.971 5.067 1522 1522 B 45 ASN HBx B 44 ILE HG2% 1.0 1.971 5.067 1523 1523 A 45 ASN HBx A 45 ASN HBy 1.0 1.418 2.266 1524 1524 B 45 ASN HBx B 45 ASN HBy 1.0 1.418 2.266 1525 1525 A 69 ARG HDy A 69 ARG HBx 1.0 1.604 2.838 1526 1526 B 69 ARG HDy B 69 ARG HBx 1.0 1.604 2.838 1527 1527 A 69 ARG HDy A 69 ARG HBy 1.0 1.878 4.146 1528 1528 B 69 ARG HDy B 69 ARG HBy 1.0 1.878 4.146 1529 1529 A 69 ARG HDy A 69 ARG HGx 1.0 1.943 4.707 1530 1530 B 69 ARG HDy B 69 ARG HGx 1.0 1.943 4.707 1531 1531 A 69 ARG HDy A 69 ARG HGy 1.0 1.666 3.064 1532 1532 B 69 ARG HDy B 69 ARG HGy 1.0 1.666 3.064 1533 1533 A 74 LYS HBx A 74 LYS HA 1.0 1.826 3.816 1534 1534 B 74 LYS HBx B 74 LYS HA 1.0 1.826 3.816 1535 1535 A 74 LYS HBy A 74 LYS HA 1.0 1.753 3.435 1536 1536 B 74 LYS HBy B 74 LYS HA 1.0 1.753 3.435 1537 1537 A 74 LYS HDx A 74 LYS HA 1.0 1.998 6.242 1538 1538 B 74 LYS HDx B 74 LYS HA 1.0 1.998 6.242 1539 1539 A 74 LYS HDy A 74 LYS HA 1.0 1.996 6.350 1540 1540 B 74 LYS HDy B 74 LYS HA 1.0 1.996 6.350 1541 1541 A 74 LYS HGx A 74 LYS HGy 1.0 1.310 1.992 1542 1542 B 74 LYS HGx B 74 LYS HGy 1.0 1.310 1.992 1543 1543 A 74 LYS HA A 74 LYS HGy 1.0 1.974 5.124 1544 1544 B 74 LYS HA B 74 LYS HGy 1.0 1.974 5.124 1545 1545 A 18 VAL HA A 19 SER HBx 1.0 1.104 12.254 1546 1546 B 18 VAL HA B 19 SER HBx 1.0 1.104 12.254 1547 1547 A 95 LYS HG3 A 94 GLU HB3 1.0 1.954 7.248 1548 1548 B 95 LYS HG3 B 94 GLU HB3 1.0 1.954 7.248 1549 1549 A 17 SER HA A 17 SER HBx 1.0 1.886 4.202 1550 1550 B 17 SER HA B 17 SER HBx 1.0 1.886 4.202 1551 1551 A 17 SER HA A 18 VAL HB 1.0 1.986 6.684 1552 1552 B 17 SER HA B 18 VAL HB 1.0 1.986 6.684 1553 1553 A 83 THR HA A 83 THR HG2% 1.0 1.791 3.621 1554 1554 B 83 THR HA B 83 THR HG2% 1.0 1.791 3.621 1555 1555 A 109 VAL HGx% A 83 THR HG2% 1.0 0.000 6.000 1556 1556 B 109 VAL HGx% B 83 THR HG2% 1.0 0.000 6.000 1557 1557 A 83 THR HB A 83 THR HG2% 1.0 1.534 2.602 1558 1558 B 83 THR HB B 83 THR HG2% 1.0 1.534 2.602 1559 1559 A 80 CYS HBy A 80 CYS HBx 1.0 1.740 3.378 1560 1560 B 80 CYS HBy B 80 CYS HBx 1.0 1.740 3.378 1561 1561 A 90 LEU HA A 90 LEU HDy% 1.0 1.988 6.620 1562 1562 B 90 LEU HA B 90 LEU HDy% 1.0 1.988 6.620 1563 1563 A 90 LEU HA A 90 LEU HDx% 1.0 1.907 4.367 1564 1564 B 90 LEU HA B 90 LEU HDx% 1.0 1.907 4.367 1565 1565 A 44 ILE HB A 44 ILE HA 1.0 1.971 5.061 1566 1566 B 44 ILE HB B 44 ILE HA 1.0 1.971 5.061 1567 1567 A 44 ILE HG1x A 44 ILE HA 1.0 1.854 3.990 1568 1568 B 44 ILE HG1x B 44 ILE HA 1.0 1.854 3.990 1569 1569 A 44 ILE HD1% A 44 ILE HA 1.0 1.999 6.131 1570 1570 B 44 ILE HD1% B 44 ILE HA 1.0 1.999 6.131 1571 1571 A 44 ILE HG1y A 44 ILE HA 1.0 1.960 4.902 1572 1572 B 44 ILE HG1y B 44 ILE HA 1.0 1.960 4.902 1573 1573 A 44 ILE HG2% A 44 ILE HA 1.0 1.772 3.528 1574 1574 B 44 ILE HG2% B 44 ILE HA 1.0 1.772 3.528 1575 1575 A 53 PHE HBx A 53 PHE HBy 1.0 1.486 2.456 1576 1576 B 53 PHE HBx B 53 PHE HBy 1.0 1.486 2.456 1577 1577 A 100 ARG HBy A 100 ARG HA 1.0 1.946 4.734 1578 1578 B 100 ARG HBy B 100 ARG HA 1.0 1.946 4.734 1579 1579 A 17 SER HA A 18 VAL HGy% 1.0 1.999 6.179 1580 1580 B 17 SER HA B 18 VAL HGy% 1.0 1.999 6.179 1581 1581 A 25 LYS HDy A 25 LYS HA 1.0 1.951 7.301 1582 1582 B 25 LYS HDy B 25 LYS HA 1.0 1.951 7.301 1583 1583 A 25 LYS HA A 25 LYS HBy 1.0 1.809 3.719 1584 1584 B 25 LYS HA B 25 LYS HBy 1.0 1.809 3.719 1585 1585 A 25 LYS HBx A 25 LYS HA 1.0 1.916 4.442 1586 1586 B 25 LYS HBx B 25 LYS HA 1.0 1.916 4.442 1587 1587 A 50 ARG HA A 41 GLU HG3 1.0 1.999 5.819 1588 1588 B 50 ARG HA B 41 GLU HG3 1.0 1.999 5.819 1589 1589 A 50 ARG HA A 50 ARG HDx 1.0 1.472 10.638 1590 1590 B 50 ARG HA B 50 ARG HDx 1.0 1.472 10.638 1591 1591 A 32 LYS HGx A 32 LYS HA 1.0 1.895 4.273 1592 1592 B 32 LYS HGx B 32 LYS HA 1.0 1.895 4.273 1593 1593 A 31 ILE HG2% A 32 LYS HA 1.0 2.000 6.068 1594 1594 B 31 ILE HG2% B 32 LYS HA 1.0 2.000 6.068 1595 1595 A 32 LYS HB3 A 32 LYS HA 1.0 1.836 3.872 1596 1596 B 32 LYS HB3 B 32 LYS HA 1.0 1.836 3.872 1597 1597 A 118 ARG HBy A 118 ARG HBx 1.0 0.000 6.000 1598 1598 B 118 ARG HBy B 118 ARG HBx 1.0 0.000 6.000 1599 1599 A 118 ARG HD3 A 118 ARG HBx 1.0 1.969 7.033 1600 1600 B 118 ARG HD3 B 118 ARG HBx 1.0 1.969 7.033 1601 1601 A 18 VAL HB A 59 ARG HA 1.0 1.910 7.788 1602 1602 B 18 VAL HB B 59 ARG HA 1.0 1.910 7.788 1603 1603 A 59 ARG HBy A 59 ARG HA 1.0 1.814 3.744 1604 1604 B 59 ARG HBy B 59 ARG HA 1.0 1.814 3.744 1605 1605 A 18 VAL HGx% A 59 ARG HA 1.0 1.973 5.111 1606 1606 B 18 VAL HGx% B 59 ARG HA 1.0 1.973 5.111 1607 1607 A 59 ARG HDy A 59 ARG HA 1.0 1.462 10.690 1608 1608 B 59 ARG HDy B 59 ARG HA 1.0 1.462 10.690 1609 1609 A 59 ARG HA A 59 ARG HGy 1.0 1.840 3.898 1610 1610 B 59 ARG HA B 59 ARG HGy 1.0 1.840 3.898 1611 1611 A 59 ARG HGx A 59 ARG HA 1.0 1.888 4.218 1612 1612 B 59 ARG HGx B 59 ARG HA 1.0 1.888 4.218 1613 1613 A 59 ARG HBx A 59 ARG HA 1.0 1.737 3.363 1614 1614 B 59 ARG HBx B 59 ARG HA 1.0 1.737 3.363 1615 1615 A 29 THR HG2% A 33 GLY HAy 1.0 1.583 2.763 1616 1616 B 29 THR HG2% B 33 GLY HAy 1.0 1.583 2.763 1617 1617 A 29 THR HA A 29 THR HG2% 1.0 1.691 3.167 1618 1618 B 29 THR HA B 29 THR HG2% 1.0 1.691 3.167 1619 1619 A 29 THR HB A 29 THR HG2% 1.0 1.492 2.476 1620 1620 B 29 THR HB B 29 THR HG2% 1.0 1.492 2.476 1621 1621 A 79 TYR HBx A 79 TYR HBy 1.0 1.732 3.342 1622 1622 B 79 TYR HBx B 79 TYR HBy 1.0 1.732 3.342 1623 1623 A 79 TYR HA A 79 TYR HBy 1.0 1.984 5.298 1624 1624 B 79 TYR HA B 79 TYR HBy 1.0 1.984 5.298 1625 1625 A 7 PHE HBy A 6 VAL HA 1.0 1.946 7.372 1626 1626 B 7 PHE HBy B 6 VAL HA 1.0 1.946 7.372 1627 1627 A 5 PRO HGx A 7 PHE HBy 1.0 1.653 9.681 1628 1628 B 5 PRO HGx B 7 PHE HBy 1.0 1.653 9.681 1629 1629 A 7 PHE HBy A 7 PHE HA 1.0 1.954 4.836 1630 1630 B 7 PHE HBy B 7 PHE HA 1.0 1.954 4.836 1631 1631 A 6 VAL HB A 7 PHE HBy 1.0 1.960 7.174 1632 1632 B 6 VAL HB B 7 PHE HBy 1.0 1.960 7.174 1633 1633 A 7 PHE HBy A 7 PHE HE1 1.0 1.961 7.147 1634 1634 B 7 PHE HBy B 7 PHE HE1 1.0 1.961 7.147 1635 1635 A 10 GLY HAx A 11 GLU HGy 1.0 1.495 10.527 1636 1636 B 10 GLY HAx B 11 GLU HGy 1.0 1.495 10.527 1637 1637 A 11 GLU HA A 11 GLU HGy 1.0 1.989 6.595 1638 1638 B 11 GLU HA B 11 GLU HGy 1.0 1.989 6.595 1639 1639 A 11 GLU HB3 A 11 GLU HGy 1.0 1.753 3.433 1640 1640 B 11 GLU HB3 B 11 GLU HGy 1.0 1.753 3.433 1641 1641 A 11 GLU HGx A 11 GLU HGy 1.0 1.380 2.166 1642 1642 B 11 GLU HGx B 11 GLU HGy 1.0 1.380 2.166 1643 1643 A 118 ARG HBx A 118 ARG HG3 1.0 1.458 2.378 1644 1644 B 118 ARG HBx B 118 ARG HG3 1.0 1.458 2.378 1645 1645 A 96 GLN HBx A 96 GLN HA 1.0 1.974 5.112 1646 1646 B 96 GLN HBx B 96 GLN HA 1.0 1.974 5.112 1647 1647 A 114 ARG HG3 A 114 ARG HB3 1.0 1.789 3.609 1648 1648 B 114 ARG HG3 B 114 ARG HB3 1.0 1.789 3.609 1649 1649 A 35 GLU HA A 35 GLU HGy 1.0 1.834 3.864 1650 1650 B 35 GLU HA B 35 GLU HGy 1.0 1.834 3.864 1651 1651 A 34 LYS HA A 35 GLU HGy 1.0 1.608 9.936 1652 1652 B 34 LYS HA B 35 GLU HGy 1.0 1.608 9.936 1653 1653 A 27 THR HB A 35 GLU HGy 1.0 1.887 4.217 1654 1654 B 27 THR HB B 35 GLU HGy 1.0 1.887 4.217 1655 1655 A 35 GLU HGy A 35 GLU HGx 1.0 1.253 1.857 1656 1656 B 35 GLU HGy B 35 GLU HGx 1.0 1.253 1.857 1657 1657 A 35 GLU HGy A 27 THR HG2% 1.0 1.855 3.995 1658 1658 B 35 GLU HGy B 27 THR HG2% 1.0 1.855 3.995 1659 1659 A 35 GLU HGy A 28 ALA H 1.0 1.946 7.376 1660 1660 B 35 GLU HGy B 28 ALA H 1.0 1.946 7.376 1661 1661 A 35 GLU HB3 A 35 GLU HGy 1.0 1.751 3.427 1662 1662 B 35 GLU HB3 B 35 GLU HGy 1.0 1.751 3.427 1663 1663 A 43 ASN HA A 43 ASN HBy 1.0 1.885 4.195 1664 1664 B 43 ASN HA B 43 ASN HBy 1.0 1.885 4.195 1665 1665 A 48 VAL HGy% A 43 ASN HBy 1.0 1.959 4.901 1666 1666 B 48 VAL HGy% B 43 ASN HBy 1.0 1.959 4.901 1667 1667 A 43 ASN HBy A 43 ASN HBx 1.0 1.467 2.401 1668 1668 B 43 ASN HBy B 43 ASN HBx 1.0 1.467 2.401 1669 1669 A 43 ASN HA A 43 ASN HBx 1.0 1.933 4.599 1670 1670 B 43 ASN HA B 43 ASN HBx 1.0 1.933 4.599 1671 1671 A 39 LEU HDx% A 43 ASN HBx 1.0 1.966 4.992 1672 1672 B 39 LEU HDx% B 43 ASN HBx 1.0 1.966 4.992 1673 1673 A 104 ILE HB A 104 ILE HD1% 1.0 1.748 3.416 1674 1674 B 104 ILE HB B 104 ILE HD1% 1.0 1.748 3.416 1675 1675 A 104 ILE HG1x A 104 ILE HB 1.0 1.778 3.558 1676 1676 B 104 ILE HG1x B 104 ILE HB 1.0 1.778 3.558 1677 1677 A 104 ILE HG1y A 104 ILE HB 1.0 1.710 3.242 1678 1678 B 104 ILE HG1y B 104 ILE HB 1.0 1.710 3.242 1679 1679 A 104 ILE HA A 104 ILE HB 1.0 1.895 4.269 1680 1680 B 104 ILE HA B 104 ILE HB 1.0 1.895 4.269 1681 1681 A 48 VAL HB A 48 VAL HGy% 1.0 1.359 2.113 1682 1682 B 48 VAL HB B 48 VAL HGy% 1.0 1.359 2.113 1683 1683 A 48 VAL HB A 48 VAL HA 1.0 1.845 3.925 1684 1684 B 48 VAL HB B 48 VAL HA 1.0 1.845 3.925 1685 1685 A 39 LEU HBx A 39 LEU HA 1.0 1.867 4.069 1686 1686 B 39 LEU HBx B 39 LEU HA 1.0 1.867 4.069 1687 1687 A 39 LEU HBy A 39 LEU HA 1.0 1.979 5.203 1688 1688 B 39 LEU HBy B 39 LEU HA 1.0 1.979 5.203 1689 1689 A 39 LEU HG A 39 LEU HA 1.0 1.821 3.781 1690 1690 B 39 LEU HG B 39 LEU HA 1.0 1.821 3.781 1691 1691 A 39 LEU HDx% A 39 LEU HA 1.0 1.959 4.899 1692 1692 B 39 LEU HDx% B 39 LEU HA 1.0 1.959 4.899 1693 1693 A 34 LYS HBy A 34 LYS HGy 1.0 1.817 3.765 1694 1694 B 34 LYS HBy B 34 LYS HGy 1.0 1.817 3.765 1695 1695 A 109 VAL HGy% A 80 CYS HA 1.0 1.998 5.742 1696 1696 B 109 VAL HGy% B 80 CYS HA 1.0 1.998 5.742 1697 1697 A 81 THR HB A 109 VAL HGy% 1.0 0.000 6.000 1698 1698 B 81 THR HB B 109 VAL HGy% 1.0 0.000 6.000 1699 1699 A 61 SER HB3 A 79 TYR HBy 1.0 1.906 7.822 1700 1700 B 61 SER HB3 B 79 TYR HBy 1.0 1.906 7.822 1701 1701 A 9 MET H A 8 HIS HBx 1.0 1.756 9.036 1702 1702 B 9 MET H B 8 HIS HBx 1.0 1.756 9.036 1703 1703 A 8 HIS HA A 8 HIS HBx 1.0 1.857 4.005 1704 1704 B 8 HIS HA B 8 HIS HBx 1.0 1.857 4.005 1705 1705 A 11 GLU HB3 A 8 HIS HBx 1.0 1.673 9.559 1706 1706 B 11 GLU HB3 B 8 HIS HBx 1.0 1.673 9.559 1707 1707 A 100 ARG HDy A 100 ARG HA 1.0 1.986 6.674 1708 1708 B 100 ARG HDy B 100 ARG HA 1.0 1.986 6.674 1709 1709 A 64 VAL HA A 64 VAL HB 1.0 1.812 3.734 1710 1710 B 64 VAL HA B 64 VAL HB 1.0 1.812 3.734 1711 1711 A 35 GLU HA A 35 GLU HGx 1.0 1.974 5.118 1712 1712 B 35 GLU HA B 35 GLU HGx 1.0 1.974 5.118 1713 1713 A 34 LYS HA A 35 GLU HGx 1.0 1.585 10.063 1714 1714 B 34 LYS HA B 35 GLU HGx 1.0 1.585 10.063 1715 1715 A 35 GLU HGx A 27 THR HG2% 1.0 1.847 3.941 1716 1716 B 35 GLU HGx B 27 THR HG2% 1.0 1.847 3.941 1717 1717 A 35 GLU HB3 A 35 GLU HGx 1.0 1.569 2.719 1718 1718 B 35 GLU HB3 B 35 GLU HGx 1.0 1.569 2.719 1719 1719 A 34 LYS HGx A 34 LYS HA 1.0 1.932 4.600 1720 1720 B 34 LYS HGx B 34 LYS HA 1.0 1.932 4.600 1721 1721 A 34 LYS HBx A 34 LYS HGx 1.0 1.610 2.858 1722 1722 B 34 LYS HBx B 34 LYS HGx 1.0 1.610 2.858 1723 1723 A 55 GLU HGx A 104 ILE HD1% 1.0 1.993 5.551 1724 1724 B 55 GLU HGx B 104 ILE HD1% 1.0 1.993 5.551 1725 1725 A 55 GLU HGx A 20 VAL HGx% 1.0 1.982 6.778 1726 1726 B 55 GLU HGx B 20 VAL HGx% 1.0 1.982 6.778 1727 1727 A 55 GLU HGx A 55 GLU HA 1.0 1.989 5.419 1728 1728 B 55 GLU HGx B 55 GLU HA 1.0 1.989 5.419 1729 1729 A 55 GLU HGx A 55 GLU HBx 1.0 1.922 4.502 1730 1730 B 55 GLU HGx B 55 GLU HBx 1.0 1.922 4.502 1731 1731 A 104 ILE HA A 55 GLU HGx 1.0 1.960 7.166 1732 1732 B 104 ILE HA B 55 GLU HGx 1.0 1.960 7.166 1733 1733 A 104 ILE HG2% A 104 ILE HD1% 1.0 1.414 2.256 1734 1734 B 104 ILE HG2% B 104 ILE HD1% 1.0 1.414 2.256 1735 1735 A 104 ILE HG1x A 104 ILE HG2% 1.0 1.409 2.241 1736 1736 B 104 ILE HG1x B 104 ILE HG2% 1.0 1.409 2.241 1737 1737 A 104 ILE HG1y A 104 ILE HG2% 1.0 1.720 3.286 1738 1738 B 104 ILE HG1y B 104 ILE HG2% 1.0 1.720 3.286 1739 1739 A 104 ILE HA A 104 ILE HG2% 1.0 1.758 3.456 1740 1740 B 104 ILE HA B 104 ILE HG2% 1.0 1.758 3.456 1741 1741 A 114 ARG HG3 A 76 TRP HZ2 1.0 1.422 10.878 1742 1742 B 114 ARG HG3 B 76 TRP HZ2 1.0 1.422 10.878 1743 1743 A 71 ILE HD1% A 72 ASP HB3 1.0 1.856 8.288 1744 1744 B 71 ILE HD1% B 72 ASP HB3 1.0 1.856 8.288 1745 1745 A 72 ASP HB3 A 72 ASP HA 1.0 1.993 5.539 1746 1746 B 72 ASP HB3 B 72 ASP HA 1.0 1.993 5.539 1747 1747 A 62 ASN HBx A 65 GLU HG3 1.0 1.570 10.136 1748 1748 B 62 ASN HBx B 65 GLU HG3 1.0 1.570 10.136 1749 1749 A 39 LEU HBy A 39 LEU HBx 1.0 1.569 2.717 1750 1750 B 39 LEU HBy B 39 LEU HBx 1.0 1.569 2.717 1751 1751 A 25 LYS HBx A 26 THR H 1.0 1.990 5.428 1752 1752 B 25 LYS HBx B 26 THR H 1.0 1.990 5.428 1753 1753 A 25 LYS HDx A 25 LYS HBx 1.0 1.861 4.027 1754 1754 B 25 LYS HDx B 25 LYS HBx 1.0 1.861 4.027 1755 1755 A 118 ARG HBy A 118 ARG HA 1.0 1.905 4.351 1756 1756 B 118 ARG HBy B 118 ARG HA 1.0 1.905 4.351 1757 1757 A 118 ARG HA A 118 ARG HBx 1.0 1.947 4.751 1758 1758 B 118 ARG HA B 118 ARG HBx 1.0 1.947 4.751 1759 1759 A 118 ARG HA A 118 ARG HG3 1.0 1.961 7.171 1760 1760 B 118 ARG HA B 118 ARG HG3 1.0 1.961 7.171 1761 1761 A 40 ALA HB% A 40 ALA HA 1.0 1.530 2.592 1762 1762 B 40 ALA HB% B 40 ALA HA 1.0 1.530 2.592 1763 1763 A 59 ARG HDy A 59 ARG HGy 1.0 1.699 3.201 1764 1764 B 59 ARG HDy B 59 ARG HGy 1.0 1.699 3.201 1765 1765 A 59 ARG HBx A 59 ARG HGy 1.0 1.784 3.588 1766 1766 B 59 ARG HBx B 59 ARG HGy 1.0 1.784 3.588 1767 1767 A 110 CYS HBx A 110 CYS HA 1.0 1.985 5.323 1768 1768 B 110 CYS HBx B 110 CYS HA 1.0 1.985 5.323 1769 1769 A 110 CYS HBy A 110 CYS HA 1.0 1.893 4.253 1770 1770 B 110 CYS HBy B 110 CYS HA 1.0 1.893 4.253 1771 1771 A 39 LEU HG A 39 LEU HBx 1.0 1.764 3.488 1772 1772 B 39 LEU HG B 39 LEU HBx 1.0 1.764 3.488 1773 1773 A 39 LEU HG A 91 THR HA 1.0 1.906 4.364 1774 1774 B 39 LEU HG B 91 THR HA 1.0 1.906 4.364 1775 1775 A 39 LEU HG A 38 VAL HA 1.0 1.996 5.676 1776 1776 B 39 LEU HG B 38 VAL HA 1.0 1.996 5.676 1777 1777 A 37 THR HA A 39 LEU HG 1.0 1.993 6.493 1778 1778 B 37 THR HA B 39 LEU HG 1.0 1.993 6.493 1779 1779 A 22 VAL HB A 52 TYR HBy 1.0 1.999 6.189 1780 1780 B 22 VAL HB B 52 TYR HBy 1.0 1.999 6.189 1781 1781 A 52 TYR HA A 52 TYR HBy 1.0 1.949 4.781 1782 1782 B 52 TYR HA B 52 TYR HBy 1.0 1.949 4.781 1783 1783 A 5 PRO HGy A 5 PRO HDy 1.0 1.979 5.197 1784 1784 B 5 PRO HGy B 5 PRO HDy 1.0 1.979 5.197 1785 1785 A 4 HIS HBy A 5 PRO HDy 1.0 1.797 8.755 1786 1786 B 4 HIS HBy B 5 PRO HDy 1.0 1.797 8.755 1787 1787 A 5 PRO HGx A 5 PRO HDy 1.0 1.881 4.165 1788 1788 B 5 PRO HGx B 5 PRO HDy 1.0 1.881 4.165 1789 1789 A 5 PRO HDy A 4 HIS HA 1.0 1.719 3.285 1790 1790 B 5 PRO HDy B 4 HIS HA 1.0 1.719 3.285 1791 1791 A 63 PRO HGx A 62 ASN HA 1.0 1.953 7.281 1792 1792 B 63 PRO HGx B 62 ASN HA 1.0 1.953 7.281 1793 1793 A 62 ASN HA A 63 PRO HDx 1.0 1.756 3.452 1794 1794 B 62 ASN HA B 63 PRO HDx 1.0 1.756 3.452 1795 1795 A 63 PRO HDy A 62 ASN HA 1.0 1.995 5.635 1796 1796 B 63 PRO HDy B 62 ASN HA 1.0 1.995 5.635 1797 1797 A 62 ASN HA A 62 ASN HBx 1.0 1.966 4.988 1798 1798 B 62 ASN HA B 62 ASN HBx 1.0 1.966 4.988 1799 1799 A 62 ASN HA A 64 VAL H 1.0 2.000 5.964 1800 1800 B 62 ASN HA B 64 VAL H 1.0 2.000 5.964 1801 1801 A 62 ASN HA A 62 ASN HBy 1.0 1.902 4.324 1802 1802 B 62 ASN HA B 62 ASN HBy 1.0 1.902 4.324 1803 1803 A 52 TYR HA A 50 ARG HGy 1.0 1.999 6.147 1804 1804 B 52 TYR HA B 50 ARG HGy 1.0 1.999 6.147 1805 1805 A 50 ARG HGy A 52 TYR HD1 1.0 1.769 8.949 1806 1806 B 50 ARG HGy B 52 TYR HD1 1.0 1.769 8.949 1807 1807 A 50 ARG HB3 A 50 ARG HGy 1.0 1.532 2.600 1808 1808 B 50 ARG HB3 B 50 ARG HGy 1.0 1.532 2.600 1809 1809 A 50 ARG HA A 50 ARG HGy 1.0 1.999 6.107 1810 1810 B 50 ARG HA B 50 ARG HGy 1.0 1.999 6.107 1811 1811 A 50 ARG HDx A 50 ARG HGy 1.0 1.709 3.237 1812 1812 B 50 ARG HDx B 50 ARG HGy 1.0 1.709 3.237 1813 1813 A 6 VAL HGy% A 9 MET HE% 1.0 1.877 4.139 1814 1814 B 6 VAL HGy% B 9 MET HE% 1.0 1.877 4.139 1815 1815 A 6 VAL HB A 9 MET HE% 1.0 0.000 6.000 1816 1816 B 6 VAL HB B 9 MET HE% 1.0 0.000 6.000 1817 1817 A 7 PHE HD1 A 9 MET HE% 1.0 1.737 9.159 1818 1818 B 7 PHE HD1 B 9 MET HE% 1.0 1.737 9.159 1819 1819 A 10 GLY HAy A 10 GLY H 1.0 2.000 5.842 1820 1820 B 10 GLY HAy B 10 GLY H 1.0 2.000 5.842 1821 1821 A 10 GLY HAy A 12 PHE HA 1.0 1.837 8.453 1822 1822 B 10 GLY HAy B 12 PHE HA 1.0 1.837 8.453 1823 1823 A 34 LYS HGy A 34 LYS HA 1.0 1.955 4.855 1824 1824 B 34 LYS HGy B 34 LYS HA 1.0 1.955 4.855 1825 1825 A 34 LYS HBx A 34 LYS HGy 1.0 1.559 2.687 1826 1826 B 34 LYS HBx B 34 LYS HGy 1.0 1.559 2.687 1827 1827 A 32 LYS HGx A 32 LYS HE3 1.0 1.501 2.501 1828 1828 B 32 LYS HGx B 32 LYS HE3 1.0 1.501 2.501 1829 1829 A 32 LYS HE3 A 32 LYS H 1.0 1.913 7.757 1830 1830 B 32 LYS HE3 B 32 LYS H 1.0 1.913 7.757 1831 1831 A 32 LYS HGy A 32 LYS HE3 1.0 1.746 3.406 1832 1832 B 32 LYS HGy B 32 LYS HE3 1.0 1.746 3.406 1833 1833 A 32 LYS HD3 A 32 LYS HE3 1.0 0.000 6.000 1834 1834 B 32 LYS HD3 B 32 LYS HE3 1.0 0.000 6.000 1835 1835 A 32 LYS HA A 32 LYS HE3 1.0 1.910 7.786 1836 1836 B 32 LYS HA B 32 LYS HE3 1.0 1.910 7.786 1837 1837 A 32 LYS HB3 A 32 LYS HE3 1.0 1.994 5.578 1838 1838 B 32 LYS HB3 B 32 LYS HE3 1.0 1.994 5.578 1839 1839 A 57 LYS HGy A 57 LYS HDy 1.0 0.000 6.000 1840 1840 B 57 LYS HGy B 57 LYS HDy 1.0 0.000 6.000 1841 1841 A 57 LYS HA A 57 LYS HDy 1.0 1.633 9.797 1842 1842 B 57 LYS HA B 57 LYS HDy 1.0 1.633 9.797 1843 1843 A 57 LYS HDy A 57 LYS HEy 1.0 1.437 2.319 1844 1844 B 57 LYS HDy B 57 LYS HEy 1.0 1.437 2.319 1845 1845 A 57 LYS HBy A 57 LYS HDy 1.0 1.941 4.687 1846 1846 B 57 LYS HBy B 57 LYS HDy 1.0 1.941 4.687 1847 1847 A 27 THR HB A 27 THR HG2% 1.0 1.521 2.563 1848 1848 B 27 THR HB B 27 THR HG2% 1.0 1.521 2.563 1849 1849 A 27 THR HA A 27 THR HG2% 1.0 1.633 2.941 1850 1850 B 27 THR HA B 27 THR HG2% 1.0 1.633 2.941 1851 1851 A 106 THR HA A 56 THR HB 1.0 1.984 5.304 1852 1852 B 106 THR HA B 56 THR HB 1.0 1.984 5.304 1853 1853 A 13 SER HBx A 13 SER HA 1.0 1.918 4.464 1854 1854 B 13 SER HBx B 13 SER HA 1.0 1.918 4.464 1855 1855 A 38 VAL HGx% A 53 PHE HZ 1.0 1.900 4.310 1856 1856 B 38 VAL HGx% B 53 PHE HZ 1.0 1.900 4.310 1857 1857 A 38 VAL HB A 38 VAL HGx% 1.0 1.468 2.408 1858 1858 B 38 VAL HB B 38 VAL HGx% 1.0 1.468 2.408 1859 1859 A 38 VAL HGx% A 25 LYS H 1.0 1.933 4.607 1860 1860 B 38 VAL HGx% B 25 LYS H 1.0 1.933 4.607 1861 1861 A 39 LEU H A 38 VAL HGx% 1.0 1.761 3.475 1862 1862 B 39 LEU H B 38 VAL HGx% 1.0 1.761 3.475 1863 1863 A 38 VAL HGx% A 38 VAL HA 1.0 1.685 3.137 1864 1864 B 38 VAL HGx% B 38 VAL HA 1.0 1.685 3.137 1865 1865 A 109 VAL HB A 109 VAL HA 1.0 1.874 4.122 1866 1866 B 109 VAL HB B 109 VAL HA 1.0 1.874 4.122 1867 1867 A 109 VAL HB A 109 VAL HGy% 1.0 1.678 3.112 1868 1868 B 109 VAL HB B 109 VAL HGy% 1.0 1.678 3.112 1869 1869 A 38 VAL HB A 53 PHE HZ 1.0 1.903 7.855 1870 1870 B 38 VAL HB B 53 PHE HZ 1.0 1.903 7.855 1871 1871 A 38 VAL HB A 38 VAL HA 1.0 1.955 4.837 1872 1872 B 38 VAL HB B 38 VAL HA 1.0 1.955 4.837 1873 1873 A 57 LYS HBx A 57 LYS HBy 1.0 1.369 2.137 1874 1874 B 57 LYS HBx B 57 LYS HBy 1.0 1.369 2.137 1875 1875 A 76 TRP HA A 114 ARG HA 1.0 1.991 6.525 1876 1876 B 76 TRP HA B 114 ARG HA 1.0 1.991 6.525 1877 1877 A 99 TRP H A 90 LEU HG 1.0 2.000 6.020 1878 1878 B 99 TRP H B 90 LEU HG 1.0 2.000 6.020 1879 1879 A 90 LEU HG A 97 ALA HA 1.0 1.985 5.309 1880 1880 B 90 LEU HG B 97 ALA HA 1.0 1.985 5.309 1881 1881 A 112 LEU HBx A 112 LEU HDy% 1.0 1.799 3.667 1882 1882 B 112 LEU HBx B 112 LEU HDy% 1.0 1.799 3.667 1883 1883 A 112 LEU HA A 112 LEU HDy% 1.0 1.697 3.191 1884 1884 B 112 LEU HA B 112 LEU HDy% 1.0 1.697 3.191 1885 1885 A 112 LEU HDy% A 68 CYS HBy 1.0 1.961 4.921 1886 1886 B 112 LEU HDy% B 68 CYS HBy 1.0 1.961 4.921 1887 1887 A 112 LEU HDy% A 78 SER HBx 1.0 1.987 5.355 1888 1888 B 112 LEU HDy% B 78 SER HBx 1.0 1.987 5.355 1889 1889 A 78 SER HA A 112 LEU HDy% 1.0 1.968 5.012 1890 1890 B 78 SER HA B 112 LEU HDy% 1.0 1.968 5.012 1891 1891 A 112 LEU HDy% A 76 TRP HBx 1.0 1.743 3.387 1892 1892 B 112 LEU HDy% B 76 TRP HBx 1.0 1.743 3.387 1893 1893 A 112 LEU HBy A 112 LEU HDy% 1.0 1.944 4.718 1894 1894 B 112 LEU HBy B 112 LEU HDy% 1.0 1.944 4.718 1895 1895 A 112 LEU HDx% A 112 LEU HDy% 1.0 1.415 2.257 1896 1896 B 112 LEU HDx% B 112 LEU HDy% 1.0 1.415 2.257 1897 1897 A 112 LEU HDy% A 112 LEU HG 1.0 1.450 2.354 1898 1898 B 112 LEU HDy% B 112 LEU HG 1.0 1.450 2.354 1899 1899 A 76 TRP HBy A 112 LEU HDy% 1.0 1.947 4.741 1900 1900 B 76 TRP HBy B 112 LEU HDy% 1.0 1.947 4.741 1901 1901 A 112 LEU HDy% A 112 LEU H 1.0 1.996 5.630 1902 1902 B 112 LEU HDy% B 112 LEU H 1.0 1.996 5.630 1903 1903 A 112 LEU HDy% A 71 ILE HA 1.0 1.941 4.681 1904 1904 B 112 LEU HDy% B 71 ILE HA 1.0 1.941 4.681 1905 1905 A 111 VAL HGy% A 112 LEU HDy% 1.0 0.000 6.000 1906 1906 B 111 VAL HGy% B 112 LEU HDy% 1.0 0.000 6.000 1907 1907 A 77 ASN HA A 112 LEU HDy% 1.0 1.952 4.800 1908 1908 B 77 ASN HA B 112 LEU HDy% 1.0 1.952 4.800 1909 1909 A 71 ILE HG2% A 78 SER HBx 1.0 1.990 5.446 1910 1910 B 71 ILE HG2% B 78 SER HBx 1.0 1.990 5.446 1911 1911 A 76 TRP HBx A 71 ILE HG2% 1.0 1.817 3.765 1912 1912 B 76 TRP HBx B 71 ILE HG2% 1.0 1.817 3.765 1913 1913 A 71 ILE HD1% A 71 ILE HG2% 1.0 1.511 2.533 1914 1914 B 71 ILE HD1% B 71 ILE HG2% 1.0 1.511 2.533 1915 1915 A 76 TRP HBy A 71 ILE HG2% 1.0 1.696 3.186 1916 1916 B 76 TRP HBy B 71 ILE HG2% 1.0 1.696 3.186 1917 1917 A 71 ILE HA A 71 ILE HG2% 1.0 1.741 3.377 1918 1918 B 71 ILE HA B 71 ILE HG2% 1.0 1.741 3.377 1919 1919 A 71 ILE HG2% A 71 ILE HG1x 1.0 1.849 3.955 1920 1920 B 71 ILE HG2% B 71 ILE HG1x 1.0 1.849 3.955 1921 1921 A 108 CYS HBy A 18 VAL H 1.0 1.735 9.183 1922 1922 B 108 CYS HBy B 18 VAL H 1.0 1.735 9.183 1923 1923 A 57 LYS HGy A 57 LYS HDx 1.0 1.694 3.174 1924 1924 B 57 LYS HGy B 57 LYS HDx 1.0 1.694 3.174 1925 1925 A 57 LYS HA A 57 LYS HDx 1.0 1.905 7.843 1926 1926 B 57 LYS HA B 57 LYS HDx 1.0 1.905 7.843 1927 1927 A 57 LYS HDx A 57 LYS HGx 1.0 1.615 2.877 1928 1928 B 57 LYS HDx B 57 LYS HGx 1.0 1.615 2.877 1929 1929 A 57 LYS HDx A 57 LYS HEy 1.0 1.708 3.236 1930 1930 B 57 LYS HDx B 57 LYS HEy 1.0 1.708 3.236 1931 1931 A 57 LYS HBy A 57 LYS HDx 1.0 1.566 2.708 1932 1932 B 57 LYS HBy B 57 LYS HDx 1.0 1.566 2.708 1933 1933 A 3 THR HB A 2 SER H 1.0 1.607 9.941 1934 1934 B 3 THR HB B 2 SER H 1.0 1.607 9.941 1935 1935 A 103 ARG HBx A 103 ARG HGy 1.0 1.757 3.457 1936 1936 B 103 ARG HBx B 103 ARG HGy 1.0 1.757 3.457 1937 1937 A 103 ARG HBy A 103 ARG HGy 1.0 1.479 2.437 1938 1938 B 103 ARG HBy B 103 ARG HGy 1.0 1.479 2.437 1939 1939 A 74 LYS HDy A 74 LYS HBx 1.0 1.730 3.332 1940 1940 B 74 LYS HDy B 74 LYS HBx 1.0 1.730 3.332 1941 1941 A 74 LYS HDy A 74 LYS HDx 1.0 1.311 1.993 1942 1942 B 74 LYS HDy B 74 LYS HDx 1.0 1.311 1.993 1943 1943 A 74 LYS HGx A 74 LYS HDy 1.0 1.616 2.880 1944 1944 B 74 LYS HGx B 74 LYS HDy 1.0 1.616 2.880 1945 1945 A 74 LYS HDy A 74 LYS HGy 1.0 1.780 3.564 1946 1946 B 74 LYS HDy B 74 LYS HGy 1.0 1.780 3.564 1947 1947 A 37 THR HA A 39 LEU HDy% 1.0 1.959 4.907 1948 1948 B 37 THR HA B 39 LEU HDy% 1.0 1.959 4.907 1949 1949 A 84 HIS HBx A 84 HIS HBy 1.0 1.794 3.636 1950 1950 B 84 HIS HBx B 84 HIS HBy 1.0 1.794 3.636 1951 1951 A 104 ILE HD1% A 55 GLU HGy 1.0 1.988 6.632 1952 1952 B 104 ILE HD1% B 55 GLU HGy 1.0 1.988 6.632 1953 1953 A 55 GLU HBy A 55 GLU HGy 1.0 1.868 4.076 1954 1954 B 55 GLU HBy B 55 GLU HGy 1.0 1.868 4.076 1955 1955 A 20 VAL HGx% A 55 GLU HGy 1.0 1.967 5.007 1956 1956 B 20 VAL HGx% B 55 GLU HGy 1.0 1.967 5.007 1957 1957 A 55 GLU HA A 55 GLU HGy 1.0 1.986 6.666 1958 1958 B 55 GLU HA B 55 GLU HGy 1.0 1.986 6.666 1959 1959 A 55 GLU HGx A 55 GLU HGy 1.0 1.593 2.797 1960 1960 B 55 GLU HGx B 55 GLU HGy 1.0 1.593 2.797 1961 1961 A 55 GLU HGy A 55 GLU HBx 1.0 1.991 5.471 1962 1962 B 55 GLU HGy B 55 GLU HBx 1.0 1.991 5.471 1963 1963 A 104 ILE HA A 55 GLU HGy 1.0 1.513 10.433 1964 1964 B 104 ILE HA B 55 GLU HGy 1.0 1.513 10.433 1965 1965 A 16 ASP HBx A 16 ASP H 1.0 1.997 5.727 1966 1966 B 16 ASP HBx B 16 ASP H 1.0 1.997 5.727 1967 1967 A 118 ARG HD3 A 118 ARG HBy 1.0 1.989 5.425 1968 1968 B 118 ARG HD3 B 118 ARG HBy 1.0 1.989 5.425 1969 1969 A 118 ARG HD3 A 118 ARG H 1.0 1.957 7.209 1970 1970 B 118 ARG HD3 B 118 ARG H 1.0 1.957 7.209 1971 1971 A 118 ARG HD3 A 118 ARG HG3 1.0 1.945 4.725 1972 1972 B 118 ARG HD3 B 118 ARG HG3 1.0 1.945 4.725 1973 1973 A 118 ARG HD3 A 118 ARG HA 1.0 2.000 5.918 1974 1974 B 118 ARG HD3 B 118 ARG HA 1.0 2.000 5.918 1975 1975 A 25 LYS HDx A 25 LYS HGy 1.0 0.000 6.000 1976 1976 B 25 LYS HDx B 25 LYS HGy 1.0 0.000 6.000 1977 1977 A 25 LYS HGy A 25 LYS HBy 1.0 1.832 3.854 1978 1978 B 25 LYS HGy B 25 LYS HBy 1.0 1.832 3.854 1979 1979 A 25 LYS HGy A 25 LYS HBx 1.0 1.470 2.412 1980 1980 B 25 LYS HGy B 25 LYS HBx 1.0 1.470 2.412 1981 1981 A 31 ILE HG1y A 33 GLY H 1.0 1.818 8.596 1982 1982 B 31 ILE HG1y B 33 GLY H 1.0 1.818 8.596 1983 1983 A 115 LYS HE3 A 115 LYS HG3 1.0 1.780 3.570 1984 1984 B 115 LYS HE3 B 115 LYS HG3 1.0 1.780 3.570 1985 1985 A 115 LYS HE3 A 115 LYS HDx 1.0 1.781 3.573 1986 1986 B 115 LYS HE3 B 115 LYS HDx 1.0 1.781 3.573 1987 1987 A 31 ILE HG2% A 31 ILE HB 1.0 1.490 2.470 1988 1988 B 31 ILE HG2% B 31 ILE HB 1.0 1.490 2.470 1989 1989 A 101 PHE HBy A 31 ILE HG2% 1.0 1.779 3.561 1990 1990 B 101 PHE HBy B 31 ILE HG2% 1.0 1.779 3.561 1991 1991 A 31 ILE HG2% A 32 LYS HB3 1.0 2.000 5.920 1992 1992 B 31 ILE HG2% B 32 LYS HB3 1.0 2.000 5.920 1993 1993 A 5 PRO HBy A 5 PRO HDx 1.0 1.904 7.848 1994 1994 B 5 PRO HBy B 5 PRO HDx 1.0 1.904 7.848 1995 1995 A 5 PRO HA A 5 PRO HBy 1.0 1.836 3.876 1996 1996 B 5 PRO HA B 5 PRO HBy 1.0 1.836 3.876 1997 1997 A 5 PRO HBx A 5 PRO HBy 1.0 1.363 2.121 1998 1998 B 5 PRO HBx B 5 PRO HBy 1.0 1.363 2.121 1999 1999 A 5 PRO HGx A 5 PRO HBy 1.0 1.629 2.925 2000 2000 B 5 PRO HGx B 5 PRO HBy 1.0 1.629 2.925 2001 2001 A 6 VAL HGy% A 5 PRO HBy 1.0 1.935 4.627 2002 2002 B 6 VAL HGy% B 5 PRO HBy 1.0 1.935 4.627 2003 2003 A 8 HIS HBy A 5 PRO HBy 1.0 1.600 9.976 2004 2004 B 8 HIS HBy B 5 PRO HBy 1.0 1.600 9.976 2005 2005 A 8 HIS HBx A 5 PRO HBy 1.0 1.750 9.078 2006 2006 B 8 HIS HBx B 5 PRO HBy 1.0 1.750 9.078 2007 2007 A 5 PRO HDy A 5 PRO HBy 1.0 1.922 7.658 2008 2008 B 5 PRO HDy B 5 PRO HBy 1.0 1.922 7.658 2009 2009 A 37 THR HA A 27 THR HA 1.0 1.947 4.755 2010 2010 B 37 THR HA B 27 THR HA 1.0 1.947 4.755 2011 2011 A 28 ALA HB% A 27 THR HA 1.0 1.978 5.174 2012 2012 B 28 ALA HB% B 27 THR HA 1.0 1.978 5.174 2013 2013 A 29 THR HB A 103 ARG HBx 1.0 1.857 8.281 2014 2014 B 29 THR HB B 103 ARG HBx 1.0 1.857 8.281 2015 2015 A 29 THR HB A 30 ASP HBx 1.0 1.910 7.794 2016 2016 B 29 THR HB B 30 ASP HBx 1.0 1.910 7.794 2017 2017 A 29 THR HB A 29 THR HA 1.0 1.940 4.666 2018 2018 B 29 THR HB B 29 THR HA 1.0 1.940 4.666 2019 2019 A 29 THR HB A 28 ALA HB% 1.0 1.998 6.238 2020 2020 B 29 THR HB B 28 ALA HB% 1.0 1.998 6.238 2021 2021 A 68 CYS HA A 68 CYS HBy 1.0 1.999 5.809 2022 2022 B 68 CYS HA B 68 CYS HBy 1.0 1.999 5.809 2023 2023 A 75 HIS HA A 75 HIS HD2 1.0 1.988 5.382 2024 2024 B 75 HIS HA B 75 HIS HD2 1.0 1.988 5.382 2025 2025 A 75 HIS HBx A 75 HIS HA 1.0 1.979 5.207 2026 2026 B 75 HIS HBx B 75 HIS HA 1.0 1.979 5.207 2027 2027 A 100 ARG HGx A 100 ARG HA 1.0 2.000 6.002 2028 2028 B 100 ARG HGx B 100 ARG HA 1.0 2.000 6.002 2029 2029 A 88 LYS HG3 A 88 LYS HE3 1.0 1.601 2.825 2030 2030 B 88 LYS HG3 B 88 LYS HE3 1.0 1.601 2.825 2031 2031 A 69 ARG HBx A 69 ARG HA 1.0 2.000 6.070 2032 2032 B 69 ARG HBx B 69 ARG HA 1.0 2.000 6.070 2033 2033 A 69 ARG HDx A 69 ARG HA 1.0 1.722 9.258 2034 2034 B 69 ARG HDx B 69 ARG HA 1.0 1.722 9.258 2035 2035 A 69 ARG HDy A 69 ARG HA 1.0 1.592 10.024 2036 2036 B 69 ARG HDy B 69 ARG HA 1.0 1.592 10.024 2037 2037 A 69 ARG HGx A 69 ARG HA 1.0 1.951 4.797 2038 2038 B 69 ARG HGx B 69 ARG HA 1.0 1.951 4.797 2039 2039 A 69 ARG HGy A 69 ARG HA 1.0 1.939 7.467 2040 2040 B 69 ARG HGy B 69 ARG HA 1.0 1.939 7.467 2041 2041 A 4 HIS HBx A 5 PRO HDx 1.0 1.997 5.655 2042 2042 B 4 HIS HBx B 5 PRO HDx 1.0 1.997 5.655 2043 2043 A 4 HIS HBx A 5 PRO HDy 1.0 1.809 8.663 2044 2044 B 4 HIS HBx B 5 PRO HDy 1.0 1.809 8.663 2045 2045 A 4 HIS HBx A 4 HIS HA 1.0 1.872 4.102 2046 2046 B 4 HIS HBx B 4 HIS HA 1.0 1.872 4.102 2047 2047 A 23 GLY HAy A 23 GLY HAx 1.0 1.755 3.441 2048 2048 B 23 GLY HAy B 23 GLY HAx 1.0 1.755 3.441 2049 2049 A 23 GLY HAx A 23 GLY H 1.0 1.999 5.825 2050 2050 B 23 GLY HAx B 23 GLY H 1.0 1.999 5.825 2051 2051 A 44 ILE HD1% A 44 ILE HG1y 1.0 1.851 3.967 2052 2052 B 44 ILE HD1% B 44 ILE HG1y 1.0 1.851 3.967 2053 2053 A 64 VAL HGy% A 65 GLU HA 1.0 1.964 7.116 2054 2054 B 64 VAL HGy% B 65 GLU HA 1.0 1.964 7.116 2055 2055 A 64 VAL HGy% A 63 PRO HDx 1.0 1.928 7.592 2056 2056 B 64 VAL HGy% B 63 PRO HDx 1.0 1.928 7.592 2057 2057 A 68 CYS HBx A 64 VAL HGy% 1.0 1.954 7.266 2058 2058 B 68 CYS HBx B 64 VAL HGy% 1.0 1.954 7.266 2059 2059 A 64 VAL HB A 64 VAL HGy% 1.0 1.474 2.424 2060 2060 B 64 VAL HB B 64 VAL HGy% 1.0 1.474 2.424 2061 2061 A 64 VAL HGy% A 66 SER H 1.0 1.879 4.155 2062 2062 B 64 VAL HGy% B 66 SER H 1.0 1.879 4.155 2063 2063 A 64 VAL HA A 64 VAL HGy% 1.0 1.917 4.453 2064 2064 B 64 VAL HA B 64 VAL HGy% 1.0 1.917 4.453 2065 2065 A 64 VAL HGy% A 69 ARG HA 1.0 1.760 3.466 2066 2066 B 64 VAL HGy% B 69 ARG HA 1.0 1.760 3.466 2067 2067 A 64 VAL HGy% A 66 SER HBy 1.0 1.997 5.695 2068 2068 B 64 VAL HGy% B 66 SER HBy 1.0 1.997 5.695 2069 2069 A 96 GLN HBy A 96 GLN HA 1.0 1.900 4.306 2070 2070 B 96 GLN HBy B 96 GLN HA 1.0 1.900 4.306 2071 2071 A 55 GLU HBy A 55 GLU HBx 1.0 1.405 2.233 2072 2072 B 55 GLU HBy B 55 GLU HBx 1.0 1.405 2.233 2073 2073 A 55 GLU HA A 55 GLU HBx 1.0 1.810 3.722 2074 2074 B 55 GLU HA B 55 GLU HBx 1.0 1.810 3.722 2075 2075 A 55 GLU H A 55 GLU HBx 1.0 1.993 5.531 2076 2076 B 55 GLU H B 55 GLU HBx 1.0 1.993 5.531 2077 2077 A 87 VAL HGy% A 85 THR HA 1.0 1.950 4.782 2078 2078 B 87 VAL HGy% B 85 THR HA 1.0 1.950 4.782 2079 2079 A 87 VAL HGy% A 86 PHE HBy 1.0 1.974 6.950 2080 2080 B 87 VAL HGy% B 86 PHE HBy 1.0 1.974 6.950 2081 2081 A 87 VAL HGy% A 86 PHE HA 1.0 1.996 6.398 2082 2082 B 87 VAL HGy% B 86 PHE HA 1.0 1.996 6.398 2083 2083 A 87 VAL HGy% A 87 VAL HA 1.0 1.911 4.399 2084 2084 B 87 VAL HGy% B 87 VAL HA 1.0 1.911 4.399 2085 2085 A 6 VAL HB A 6 VAL HA 1.0 1.803 3.687 2086 2086 B 6 VAL HB B 6 VAL HA 1.0 1.803 3.687 2087 2087 A 6 VAL HB A 7 PHE H 1.0 1.981 5.245 2088 2088 B 6 VAL HB B 7 PHE H 1.0 1.981 5.245 2089 2089 A 47 SER HBx A 44 ILE HB 1.0 1.949 4.775 2090 2090 B 47 SER HBx B 44 ILE HB 1.0 1.949 4.775 2091 2091 A 115 LYS HA A 115 LYS HBy 1.0 1.984 5.304 2092 2092 B 115 LYS HA B 115 LYS HBy 1.0 1.984 5.304 2093 2093 A 115 LYS HBy A 115 LYS HG3 1.0 1.804 3.692 2094 2094 B 115 LYS HBy B 115 LYS HG3 1.0 1.804 3.692 2095 2095 A 115 LYS HBy A 115 LYS H 1.0 1.744 9.114 2096 2096 B 115 LYS HBy B 115 LYS H 1.0 1.744 9.114 2097 2097 A 115 LYS HBx A 115 LYS HBy 1.0 1.277 1.915 2098 2098 B 115 LYS HBx B 115 LYS HBy 1.0 1.277 1.915 2099 2099 A 63 PRO HA A 63 PRO HGy 1.0 2.000 6.034 2100 2100 B 63 PRO HA B 63 PRO HGy 1.0 2.000 6.034 2101 2101 A 63 PRO HA A 63 PRO HBy 1.0 1.948 4.764 2102 2102 B 63 PRO HA B 63 PRO HBy 1.0 1.948 4.764 2103 2103 A 90 LEU HBy A 90 LEU HBx 1.0 1.743 3.387 2104 2104 B 90 LEU HBy B 90 LEU HBx 1.0 1.743 3.387 2105 2105 A 90 LEU HBx A 90 LEU HG 1.0 1.989 5.403 2106 2106 B 90 LEU HBx B 90 LEU HG 1.0 1.989 5.403 2107 2107 A 95 LYS HBx A 95 LYS HBy 1.0 1.349 2.087 2108 2108 B 95 LYS HBx B 95 LYS HBy 1.0 1.349 2.087 2109 2109 A 90 LEU HDx% A 99 TRP HD1 1.0 2.000 5.852 2110 2110 B 90 LEU HDx% B 99 TRP HD1 1.0 2.000 5.852 2111 2111 A 90 LEU HDy% A 90 LEU HDx% 1.0 1.508 2.522 2112 2112 B 90 LEU HDy% B 90 LEU HDx% 1.0 1.508 2.522 2113 2113 A 89 ALA H A 90 LEU HDx% 1.0 1.967 7.051 2114 2114 B 89 ALA H B 90 LEU HDx% 1.0 1.967 7.051 2115 2115 A 90 LEU HG A 90 LEU HDx% 1.0 1.597 2.813 2116 2116 B 90 LEU HG B 90 LEU HDx% 1.0 1.597 2.813 2117 2117 A 100 ARG HGx A 90 LEU HDx% 1.0 1.996 6.348 2118 2118 B 100 ARG HGx B 90 LEU HDx% 1.0 1.996 6.348 2119 2119 A 5 PRO HGx A 4 HIS HA 1.0 1.927 7.599 2120 2120 B 5 PRO HGx B 4 HIS HA 1.0 1.927 7.599 2121 2121 A 19 SER HBx A 19 SER HBy 1.0 1.791 3.623 2122 2122 B 19 SER HBx B 19 SER HBy 1.0 1.791 3.623 2123 2123 A 18 VAL HA A 19 SER HBy 1.0 1.740 9.142 2124 2124 B 18 VAL HA B 19 SER HBy 1.0 1.740 9.142 2125 2125 A 36 VAL HB A 37 THR HB 1.0 1.958 7.196 2126 2126 B 36 VAL HB B 37 THR HB 1.0 1.958 7.196 2127 2127 A 36 VAL HB A 36 VAL HA 1.0 1.870 4.092 2128 2128 B 36 VAL HB B 36 VAL HA 1.0 1.870 4.092 2129 2129 A 36 VAL HB A 92 THR HG2% 1.0 1.956 7.224 2130 2130 B 36 VAL HB B 92 THR HG2% 1.0 1.956 7.224 2131 2131 A 91 THR HB A 36 VAL HB 1.0 1.827 3.821 2132 2132 B 91 THR HB B 36 VAL HB 1.0 1.827 3.821 2133 2133 A 36 VAL HGy% A 36 VAL HA 1.0 1.855 3.989 2134 2134 B 36 VAL HGy% B 36 VAL HA 1.0 1.855 3.989 2135 2135 A 36 VAL HGy% A 93 ASP HB3 1.0 1.986 5.338 2136 2136 B 36 VAL HGy% B 93 ASP HB3 1.0 1.986 5.338 2137 2137 A 36 VAL HGy% A 35 GLU H 1.0 1.977 5.163 2138 2138 B 36 VAL HGy% B 35 GLU H 1.0 1.977 5.163 2139 2139 A 36 VAL HGy% A 35 GLU HB3 1.0 1.949 7.323 2140 2140 B 36 VAL HGy% B 35 GLU HB3 1.0 1.949 7.323 2141 2141 A 117 THR HA A 117 THR HG2% 1.0 1.751 3.423 2142 2142 B 117 THR HA B 117 THR HG2% 1.0 1.751 3.423 2143 2143 A 117 THR HA A 117 THR HB 1.0 0.000 6.000 2144 2144 B 117 THR HA B 117 THR HB 1.0 0.000 6.000 2145 2145 A 53 PHE HE1 A 53 PHE HBy 1.0 1.836 8.454 2146 2146 B 53 PHE HE1 B 53 PHE HBy 1.0 1.836 8.454 2147 2147 A 21 TRP HBy A 20 VAL HB 1.0 1.870 8.172 2148 2148 B 21 TRP HBy B 20 VAL HB 1.0 1.870 8.172 2149 2149 A 20 VAL HB A 20 VAL HGx% 1.0 0.000 6.000 2150 2150 B 20 VAL HB B 20 VAL HGx% 1.0 0.000 6.000 2151 2151 A 20 VAL HB A 20 VAL HA 1.0 1.695 3.181 2152 2152 B 20 VAL HB B 20 VAL HA 1.0 1.695 3.181 2153 2153 A 20 VAL HB A 19 SER HA 1.0 1.835 8.463 2154 2154 B 20 VAL HB B 19 SER HA 1.0 1.835 8.463 2155 2155 A 20 VAL HB A 20 VAL HGy% 1.0 0.000 6.000 2156 2156 B 20 VAL HB B 20 VAL HGy% 1.0 0.000 6.000 2157 2157 A 111 VAL HGy% A 111 VAL HA 1.0 1.938 4.650 2158 2158 B 111 VAL HGy% B 111 VAL HA 1.0 1.938 4.650 2159 2159 A 111 VAL HGy% A 112 LEU H 1.0 1.942 4.692 2160 2160 B 111 VAL HGy% B 112 LEU H 1.0 1.942 4.692 2161 2161 A 111 VAL HGy% A 62 ASN HD22 1.0 1.893 7.955 2162 2162 B 111 VAL HGy% B 62 ASN HD22 1.0 1.893 7.955 2163 2163 A 92 THR HG2% A 92 THR HB 1.0 1.511 2.535 2164 2164 B 92 THR HG2% B 92 THR HB 1.0 1.511 2.535 2165 2165 A 98 ALA HA A 92 THR HB 1.0 1.869 8.173 2166 2166 B 98 ALA HA B 92 THR HB 1.0 1.869 8.173 2167 2167 A 97 ALA HB% A 92 THR HB 1.0 1.863 4.041 2168 2168 B 97 ALA HB% B 92 THR HB 1.0 1.863 4.041 2169 2169 A 92 THR HA A 92 THR HB 1.0 1.839 3.891 2170 2170 B 92 THR HA B 92 THR HB 1.0 1.839 3.891 2171 2171 A 91 THR HB A 92 THR HB 1.0 1.965 7.093 2172 2172 B 91 THR HB B 92 THR HB 1.0 1.965 7.093 2173 2173 A 69 ARG HGx A 69 ARG HBy 1.0 1.876 4.138 2174 2174 B 69 ARG HGx B 69 ARG HBy 1.0 1.876 4.138 2175 2175 A 30 ASP HBx A 32 LYS HB3 1.0 1.751 3.425 2176 2176 B 30 ASP HBx B 32 LYS HB3 1.0 1.751 3.425 2177 2177 A 24 ASP HA A 24 ASP HBx 1.0 1.959 4.893 2178 2178 B 24 ASP HA B 24 ASP HBx 1.0 1.959 4.893 2179 2179 A 18 VAL HB A 59 ARG HGx 1.0 1.511 2.533 2180 2180 B 18 VAL HB B 59 ARG HGx 1.0 1.511 2.533 2181 2181 A 59 ARG HBy A 59 ARG HGx 1.0 1.702 3.210 2182 2182 B 59 ARG HBy B 59 ARG HGx 1.0 1.702 3.210 2183 2183 A 59 ARG HDy A 59 ARG HGx 1.0 1.711 3.249 2184 2184 B 59 ARG HDy B 59 ARG HGx 1.0 1.711 3.249 2185 2185 A 59 ARG HGx A 18 VAL H 1.0 1.918 4.458 2186 2186 B 59 ARG HGx B 18 VAL H 1.0 1.918 4.458 2187 2187 A 59 ARG HGx A 59 ARG HGy 1.0 1.245 1.841 2188 2188 B 59 ARG HGx B 59 ARG HGy 1.0 1.245 1.841 2189 2189 A 71 ILE HD1% A 71 ILE HB 1.0 1.935 4.623 2190 2190 B 71 ILE HD1% B 71 ILE HB 1.0 1.935 4.623 2191 2191 A 112 LEU HDy% A 71 ILE HB 1.0 1.934 4.610 2192 2192 B 112 LEU HDy% B 71 ILE HB 1.0 1.934 4.610 2193 2193 A 71 ILE HB A 71 ILE HG2% 1.0 1.634 2.942 2194 2194 B 71 ILE HB B 71 ILE HG2% 1.0 1.634 2.942 2195 2195 A 71 ILE HB A 71 ILE HG1x 1.0 1.749 3.419 2196 2196 B 71 ILE HB B 71 ILE HG1x 1.0 1.749 3.419 2197 2197 A 95 LYS HBy A 95 LYS HA 1.0 1.710 3.242 2198 2198 B 95 LYS HBy B 95 LYS HA 1.0 1.710 3.242 2199 2199 A 95 LYS HG3 A 95 LYS HA 1.0 1.856 3.996 2200 2200 B 95 LYS HG3 B 95 LYS HA 1.0 1.856 3.996 2201 2201 A 95 LYS HBx A 95 LYS HA 1.0 1.988 5.390 2202 2202 B 95 LYS HBx B 95 LYS HA 1.0 1.988 5.390 2203 2203 A 12 PHE HA A 12 PHE HBy 1.0 1.914 4.432 2204 2204 B 12 PHE HA B 12 PHE HBy 1.0 1.914 4.432 2205 2205 A 12 PHE HBy A 12 PHE H 1.0 1.996 6.340 2206 2206 B 12 PHE HBy B 12 PHE H 1.0 1.996 6.340 2207 2207 A 42 VAL HGx% A 42 VAL HB 1.0 1.402 2.224 2208 2208 B 42 VAL HGx% B 42 VAL HB 1.0 1.402 2.224 2209 2209 A 42 VAL HGx% A 42 VAL HA 1.0 1.706 3.228 2210 2210 B 42 VAL HGx% B 42 VAL HA 1.0 1.706 3.228 2211 2211 A 42 VAL HGx% A 41 GLU HG3 1.0 1.999 5.889 2212 2212 B 42 VAL HGx% B 41 GLU HG3 1.0 1.999 5.889 2213 2213 A 42 VAL HGx% A 99 TRP HZ3 1.0 1.892 4.250 2214 2214 B 42 VAL HGx% B 99 TRP HZ3 1.0 1.892 4.250 2215 2215 A 42 VAL HGx% A 42 VAL H 1.0 1.770 3.518 2216 2216 B 42 VAL HGx% B 42 VAL H 1.0 1.770 3.518 2217 2217 A 42 VAL HGx% A 90 LEU HDx% 1.0 0.000 6.000 2218 2218 B 42 VAL HGx% B 90 LEU HDx% 1.0 0.000 6.000 2219 2219 A 113 SER HB3 A 113 SER HA 1.0 1.730 3.330 2220 2220 B 113 SER HB3 B 113 SER HA 1.0 1.730 3.330 2221 2221 A 114 ARG HG3 A 113 SER HA 1.0 1.532 10.338 2222 2222 B 114 ARG HG3 B 113 SER HA 1.0 1.532 10.338 2223 2223 A 52 TYR H A 52 TYR HBx 1.0 1.970 5.048 2224 2224 B 52 TYR H B 52 TYR HBx 1.0 1.970 5.048 2225 2225 A 52 TYR HA A 52 TYR HBx 1.0 1.994 6.448 2226 2226 B 52 TYR HA B 52 TYR HBx 1.0 1.994 6.448 2227 2227 A 53 PHE HE1 A 53 PHE HA 1.0 1.870 8.174 2228 2228 B 53 PHE HE1 B 53 PHE HA 1.0 1.870 8.174 2229 2229 A 53 PHE HBx A 53 PHE HA 1.0 1.999 5.825 2230 2230 B 53 PHE HBx B 53 PHE HA 1.0 1.999 5.825 2231 2231 A 53 PHE HZ A 53 PHE HA 1.0 1.930 7.562 2232 2232 B 53 PHE HZ B 53 PHE HA 1.0 1.930 7.562 2233 2233 A 53 PHE HBy A 53 PHE HA 1.0 1.954 4.840 2234 2234 B 53 PHE HBy B 53 PHE HA 1.0 1.954 4.840 2235 2235 A 48 VAL HA A 48 VAL HGy% 1.0 1.679 3.117 2236 2236 B 48 VAL HA B 48 VAL HGy% 1.0 1.679 3.117 2237 2237 A 95 LYS HG3 A 95 LYS HEy 1.0 1.593 2.799 2238 2238 B 95 LYS HG3 B 95 LYS HEy 1.0 1.593 2.799 2239 2239 A 95 LYS HEy A 95 LYS H 1.0 1.708 9.350 2240 2240 B 95 LYS HEy B 95 LYS H 1.0 1.708 9.350 2241 2241 A 95 LYS HBx A 95 LYS HEy 1.0 1.974 5.124 2242 2242 B 95 LYS HBx B 95 LYS HEy 1.0 1.974 5.124 2243 2243 A 54 PHE HBx A 54 PHE HA 1.0 1.976 6.912 2244 2244 B 54 PHE HBx B 54 PHE HA 1.0 1.976 6.912 2245 2245 A 18 VAL HGx% A 19 SER HA 1.0 1.974 5.110 2246 2246 B 18 VAL HGx% B 19 SER HA 1.0 1.974 5.110 2247 2247 A 19 SER HBx A 19 SER HA 1.0 1.979 5.195 2248 2248 B 19 SER HBx B 19 SER HA 1.0 1.979 5.195 2249 2249 A 56 THR HA A 19 SER HA 1.0 1.934 4.604 2250 2250 B 56 THR HA B 19 SER HA 1.0 1.934 4.604 2251 2251 A 19 SER HBy A 19 SER HA 1.0 1.999 6.151 2252 2252 B 19 SER HBy B 19 SER HA 1.0 1.999 6.151 2253 2253 A 20 VAL HGy% A 19 SER HA 1.0 1.975 5.147 2254 2254 B 20 VAL HGy% B 19 SER HA 1.0 1.975 5.147 2255 2255 A 19 SER HBx A 20 VAL HGy% 1.0 2.000 6.002 2256 2256 B 19 SER HBx B 20 VAL HGy% 1.0 2.000 6.002 2257 2257 A 20 VAL HGy% A 20 VAL HA 1.0 1.603 2.833 2258 2258 B 20 VAL HGy% B 20 VAL HA 1.0 1.603 2.833 2259 2259 A 20 VAL HGy% A 19 SER HBy 1.0 1.988 6.624 2260 2260 B 20 VAL HGy% B 19 SER HBy 1.0 1.988 6.624 2261 2261 A 106 THR HG2% A 85 THR HG2% 1.0 1.423 2.281 2262 2262 B 106 THR HG2% B 85 THR HG2% 1.0 1.423 2.281 2263 2263 A 106 THR HG2% A 106 THR HA 1.0 1.844 3.922 2264 2264 B 106 THR HG2% B 106 THR HA 1.0 1.844 3.922 2265 2265 A 13 SER HBy A 13 SER HA 1.0 1.865 4.055 2266 2266 B 13 SER HBy B 13 SER HA 1.0 1.865 4.055 2267 2267 A 13 SER HBy A 14 VAL H 1.0 1.941 7.443 2268 2268 B 13 SER HBy B 14 VAL H 1.0 1.941 7.443 2269 2269 A 114 ARG HB3 A 114 ARG HDy 1.0 1.971 5.051 2270 2270 B 114 ARG HB3 B 114 ARG HDy 1.0 1.971 5.051 2271 2271 A 114 ARG HG3 A 114 ARG HDy 1.0 1.749 3.413 2272 2272 B 114 ARG HG3 B 114 ARG HDy 1.0 1.749 3.413 2273 2273 A 11 GLU HB3 A 11 GLU HGx 1.0 1.773 3.531 2274 2274 B 11 GLU HB3 B 11 GLU HGx 1.0 1.773 3.531 2275 2275 A 16 ASP HA A 16 ASP HBy 1.0 1.999 6.157 2276 2276 B 16 ASP HA B 16 ASP HBy 1.0 1.999 6.157 2277 2277 A 16 ASP H A 16 ASP HBy 1.0 1.969 5.033 2278 2278 B 16 ASP H B 16 ASP HBy 1.0 1.969 5.033 2279 2279 A 59 ARG HA A 16 ASP HBy 1.0 1.924 7.634 2280 2280 B 59 ARG HA B 16 ASP HBy 1.0 1.924 7.634 2281 2281 A 16 ASP HBx A 16 ASP HBy 1.0 1.331 2.041 2282 2282 B 16 ASP HBx B 16 ASP HBy 1.0 1.331 2.041 2283 2283 A 91 THR HA A 38 VAL HA 1.0 1.919 4.473 2284 2284 B 91 THR HA B 38 VAL HA 1.0 1.919 4.473 2285 2285 A 108 CYS HA A 82 THR HA 1.0 1.915 4.433 2286 2286 B 108 CYS HA B 82 THR HA 1.0 1.915 4.433 2287 2287 A 108 CYS HBx A 108 CYS HA 1.0 1.989 5.407 2288 2288 B 108 CYS HBx B 108 CYS HA 1.0 1.989 5.407 2289 2289 A 62 ASN HA A 79 TYR HA 1.0 1.918 7.694 2290 2290 B 62 ASN HA B 79 TYR HA 1.0 1.918 7.694 2291 2291 A 66 SER HBx A 66 SER HBy 1.0 1.473 2.421 2292 2292 B 66 SER HBx B 66 SER HBy 1.0 1.473 2.421 2293 2293 A 56 THR HB A 56 THR HG2% 1.0 1.719 3.283 2294 2294 B 56 THR HB B 56 THR HG2% 1.0 1.719 3.283 2295 2295 A 56 THR HA A 56 THR HG2% 1.0 1.786 3.596 2296 2296 B 56 THR HA B 56 THR HG2% 1.0 1.786 3.596 2297 2297 A 107 ALA HA A 56 THR HG2% 1.0 1.818 3.768 2298 2298 B 107 ALA HA B 56 THR HG2% 1.0 1.818 3.768 2299 2299 A 28 ALA HA A 28 ALA HB% 1.0 1.586 2.774 2300 2300 B 28 ALA HA B 28 ALA HB% 1.0 1.586 2.774 2301 2301 A 42 VAL HGy% A 42 VAL HB 1.0 1.467 2.403 2302 2302 B 42 VAL HGy% B 42 VAL HB 1.0 1.467 2.403 2303 2303 A 42 VAL HGy% A 44 ILE HB 1.0 1.962 4.932 2304 2304 B 42 VAL HGy% B 44 ILE HB 1.0 1.962 4.932 2305 2305 A 42 VAL HGy% A 99 TRP HZ3 1.0 1.996 5.650 2306 2306 B 42 VAL HGy% B 99 TRP HZ3 1.0 1.996 5.650 2307 2307 A 42 VAL HGy% A 42 VAL H 1.0 1.790 3.616 2308 2308 B 42 VAL HGy% B 42 VAL H 1.0 1.790 3.616 2309 2309 A 42 VAL HGy% A 99 TRP HZ2 1.0 1.959 4.897 2310 2310 B 42 VAL HGy% B 99 TRP HZ2 1.0 1.959 4.897 2311 2311 A 115 LYS HBx A 76 TRP H 1.0 2.000 6.080 2312 2312 B 115 LYS HBx B 76 TRP H 1.0 2.000 6.080 2313 2313 A 115 LYS HBx A 75 HIS HA 1.0 1.943 7.405 2314 2314 B 115 LYS HBx B 75 HIS HA 1.0 1.943 7.405 2315 2315 A 75 HIS HBx A 75 HIS HE1 1.0 1.506 10.466 2316 2316 B 75 HIS HBx B 75 HIS HE1 1.0 1.506 10.466 2317 2317 A 77 ASN HBx A 77 ASN HA 1.0 1.903 4.333 2318 2318 B 77 ASN HBx B 77 ASN HA 1.0 1.903 4.333 2319 2319 A 77 ASN HBy A 77 ASN HA 1.0 1.877 4.139 2320 2320 B 77 ASN HBy B 77 ASN HA 1.0 1.877 4.139 2321 2321 A 54 PHE HBy A 54 PHE HA 1.0 1.975 5.133 2322 2322 B 54 PHE HBy B 54 PHE HA 1.0 1.975 5.133 2323 2323 A 54 PHE HBy A 54 PHE HZ 1.0 1.782 8.862 2324 2324 B 54 PHE HBy B 54 PHE HZ 1.0 1.782 8.862 2325 2325 A 100 ARG HDx A 100 ARG HA 1.0 1.885 4.195 2326 2326 B 100 ARG HDx B 100 ARG HA 1.0 1.885 4.195 2327 2327 A 100 ARG HBx A 100 ARG HDx 1.0 1.948 4.768 2328 2328 B 100 ARG HBx B 100 ARG HDx 1.0 1.948 4.768 2329 2329 A 100 ARG HGy A 100 ARG HDx 1.0 1.864 4.050 2330 2330 B 100 ARG HGy B 100 ARG HDx 1.0 1.864 4.050 2331 2331 A 100 ARG HBy A 100 ARG HDx 1.0 1.995 5.607 2332 2332 B 100 ARG HBy B 100 ARG HDx 1.0 1.995 5.607 2333 2333 A 100 ARG HGx A 100 ARG HDx 1.0 1.691 3.163 2334 2334 B 100 ARG HGx B 100 ARG HDx 1.0 1.691 3.163 2335 2335 A 34 LYS HBx A 34 LYS HBy 1.0 1.310 1.990 2336 2336 B 34 LYS HBx B 34 LYS HBy 1.0 1.310 1.990 2337 2337 A 46 ASN HB3 A 46 ASN H 1.0 1.958 7.196 2338 2338 B 46 ASN HB3 B 46 ASN H 1.0 1.958 7.196 2339 2339 A 46 ASN HB3 A 46 ASN HA 1.0 1.841 3.899 2340 2340 B 46 ASN HB3 B 46 ASN HA 1.0 1.841 3.899 2341 2341 A 47 SER H A 46 ASN HB3 1.0 1.858 8.274 2342 2342 B 47 SER H B 46 ASN HB3 1.0 1.858 8.274 2343 2343 A 18 VAL HB A 59 ARG HDx 1.0 1.696 3.188 2344 2344 B 18 VAL HB B 59 ARG HDx 1.0 1.696 3.188 2345 2345 A 59 ARG HBy A 59 ARG HDx 1.0 1.875 4.123 2346 2346 B 59 ARG HBy B 59 ARG HDx 1.0 1.875 4.123 2347 2347 A 59 ARG HDy A 59 ARG HDx 1.0 0.000 6.000 2348 2348 B 59 ARG HDy B 59 ARG HDx 1.0 0.000 6.000 2349 2349 A 59 ARG HA A 59 ARG HDx 1.0 1.892 7.966 2350 2350 B 59 ARG HA B 59 ARG HDx 1.0 1.892 7.966 2351 2351 A 59 ARG HGy A 59 ARG HDx 1.0 1.930 4.570 2352 2352 B 59 ARG HGy B 59 ARG HDx 1.0 1.930 4.570 2353 2353 A 59 ARG HGx A 59 ARG HDx 1.0 1.562 2.694 2354 2354 B 59 ARG HGx B 59 ARG HDx 1.0 1.562 2.694 2355 2355 A 59 ARG HBx A 59 ARG HDx 1.0 1.577 2.741 2356 2356 B 59 ARG HBx B 59 ARG HDx 1.0 1.577 2.741 2357 2357 A 50 ARG HB3 A 50 ARG HGx 1.0 1.632 2.938 2358 2358 B 50 ARG HB3 B 50 ARG HGx 1.0 1.632 2.938 2359 2359 A 50 ARG HA A 50 ARG HGx 1.0 1.976 6.900 2360 2360 B 50 ARG HA B 50 ARG HGx 1.0 1.976 6.900 2361 2361 A 50 ARG HDx A 50 ARG HGx 1.0 1.687 3.145 2362 2362 B 50 ARG HDx B 50 ARG HGx 1.0 1.687 3.145 2363 2363 A 111 VAL HGx% A 111 VAL HA 1.0 1.831 3.839 2364 2364 B 111 VAL HGx% B 111 VAL HA 1.0 1.831 3.839 2365 2365 A 111 VAL HB A 111 VAL HGx% 1.0 1.390 2.192 2366 2366 B 111 VAL HB B 111 VAL HGx% 1.0 1.390 2.192 2367 2367 A 109 VAL HGy% A 111 VAL HGx% 1.0 0.000 6.000 2368 2368 B 109 VAL HGy% B 111 VAL HGx% 1.0 0.000 6.000 2369 2369 A 111 VAL HGx% A 112 LEU H 1.0 1.996 6.322 2370 2370 B 111 VAL HGx% B 112 LEU H 1.0 1.996 6.322 2371 2371 A 71 ILE HA A 71 ILE HG1x 1.0 1.974 5.120 2372 2372 B 71 ILE HA B 71 ILE HG1x 1.0 1.974 5.120 2373 2373 A 62 ASN HBy A 65 GLU HA 1.0 1.996 6.384 2374 2374 B 62 ASN HBy B 65 GLU HA 1.0 1.996 6.384 2375 2375 A 39 LEU HDx% A 39 LEU HBx 1.0 1.553 2.665 2376 2376 B 39 LEU HDx% B 39 LEU HBx 1.0 1.553 2.665 2377 2377 A 39 LEU HDx% A 91 THR HA 1.0 1.968 5.028 2378 2378 B 39 LEU HDx% B 91 THR HA 1.0 1.968 5.028 2379 2379 A 39 LEU HDx% A 97 ALA HB% 1.0 0.000 6.000 2380 2380 B 39 LEU HDx% B 97 ALA HB% 1.0 0.000 6.000 2381 2381 A 39 LEU HDx% A 98 ALA H 1.0 1.961 4.921 2382 2382 B 39 LEU HDx% B 98 ALA H 1.0 1.961 4.921 2383 2383 A 39 LEU HBy A 39 LEU HDx% 1.0 1.658 3.034 2384 2384 B 39 LEU HBy B 39 LEU HDx% 1.0 1.658 3.034 2385 2385 A 39 LEU HG A 39 LEU HDx% 1.0 1.397 2.211 2386 2386 B 39 LEU HG B 39 LEU HDx% 1.0 1.397 2.211 2387 2387 A 39 LEU H A 39 LEU HDx% 1.0 1.996 5.640 2388 2388 B 39 LEU H B 39 LEU HDx% 1.0 1.996 5.640 2389 2389 A 39 LEU HDx% A 92 THR HB 1.0 1.677 3.105 2390 2390 B 39 LEU HDx% B 92 THR HB 1.0 1.677 3.105 2391 2391 A 28 ALA HA A 38 VAL HGy% 1.0 1.973 5.099 2392 2392 B 28 ALA HA B 38 VAL HGy% 1.0 1.973 5.099 2393 2393 A 38 VAL HGy% A 91 THR HA 1.0 1.998 5.756 2394 2394 B 38 VAL HGy% B 91 THR HA 1.0 1.998 5.756 2395 2395 A 38 VAL HGx% A 38 VAL HGy% 1.0 1.321 2.019 2396 2396 B 38 VAL HGx% B 38 VAL HGy% 1.0 1.321 2.019 2397 2397 A 38 VAL HB A 38 VAL HGy% 1.0 1.469 2.411 2398 2398 B 38 VAL HB B 38 VAL HGy% 1.0 1.469 2.411 2399 2399 A 102 ILE HG1y A 38 VAL HGy% 1.0 0.000 6.000 2400 2400 B 102 ILE HG1y B 38 VAL HGy% 1.0 0.000 6.000 2401 2401 A 27 THR HA A 38 VAL HGy% 1.0 1.934 4.622 2402 2402 B 27 THR HA B 38 VAL HGy% 1.0 1.934 4.622 2403 2403 A 38 VAL HGy% A 38 VAL HA 1.0 1.700 3.204 2404 2404 B 38 VAL HGy% B 38 VAL HA 1.0 1.700 3.204 2405 2405 A 28 ALA HB% A 38 VAL HGy% 1.0 0.000 6.000 2406 2406 B 28 ALA HB% B 38 VAL HGy% 1.0 0.000 6.000 2407 2407 A 35 GLU HA A 35 GLU HB3 1.0 1.918 4.460 2408 2408 B 35 GLU HA B 35 GLU HB3 1.0 1.918 4.460 2409 2409 A 35 GLU HB3 A 34 LYS HA 1.0 1.995 6.405 2410 2410 B 35 GLU HB3 B 34 LYS HA 1.0 1.995 6.405 2411 2411 A 44 ILE HG2% A 43 ASN HA 1.0 1.868 8.186 2412 2412 B 44 ILE HG2% B 43 ASN HA 1.0 1.868 8.186 2413 2413 A 44 ILE HB A 44 ILE HG2% 1.0 1.530 2.590 2414 2414 B 44 ILE HB B 44 ILE HG2% 1.0 1.530 2.590 2415 2415 A 44 ILE HG2% A 44 ILE HD1% 1.0 1.581 2.757 2416 2416 B 44 ILE HG2% B 44 ILE HD1% 1.0 1.581 2.757 2417 2417 A 44 ILE HG2% A 44 ILE HG1y 1.0 1.545 2.639 2418 2418 B 44 ILE HG2% B 44 ILE HG1y 1.0 1.545 2.639 2419 2419 A 37 THR HG2% A 37 THR HB 1.0 1.369 2.137 2420 2420 B 37 THR HG2% B 37 THR HB 1.0 1.369 2.137 2421 2421 A 34 LYS HEy A 34 LYS HA 1.0 1.831 8.495 2422 2422 B 34 LYS HEy B 34 LYS HA 1.0 1.831 8.495 2423 2423 A 34 LYS HD3 A 34 LYS HEy 1.0 1.443 2.335 2424 2424 B 34 LYS HD3 B 34 LYS HEy 1.0 1.443 2.335 2425 2425 A 34 LYS HBy A 34 LYS HEy 1.0 1.987 6.673 2426 2426 B 34 LYS HBy B 34 LYS HEy 1.0 1.987 6.673 2427 2427 A 34 LYS HGx A 34 LYS HEy 1.0 1.585 2.771 2428 2428 B 34 LYS HGx B 34 LYS HEy 1.0 1.585 2.771 2429 2429 A 34 LYS HGy A 34 LYS HEy 1.0 1.589 2.783 2430 2430 B 34 LYS HGy B 34 LYS HEy 1.0 1.589 2.783 2431 2431 A 34 LYS HBx A 34 LYS HEy 1.0 1.969 5.041 2432 2432 B 34 LYS HBx B 34 LYS HEy 1.0 1.969 5.041 2433 2433 A 58 CYS HBy A 59 ARG HBx 1.0 1.829 8.511 2434 2434 B 58 CYS HBy B 59 ARG HBx 1.0 1.829 8.511 2435 2435 A 5 PRO HGx A 7 PHE HBx 1.0 1.771 8.937 2436 2436 B 5 PRO HGx B 7 PHE HBx 1.0 1.771 8.937 2437 2437 A 10 GLY HAy A 7 PHE HBx 1.0 1.677 9.541 2438 2438 B 10 GLY HAy B 7 PHE HBx 1.0 1.677 9.541 2439 2439 A 7 PHE HBx A 7 PHE HA 1.0 1.893 4.257 2440 2440 B 7 PHE HBx B 7 PHE HA 1.0 1.893 4.257 2441 2441 A 7 PHE HBx A 7 PHE HE1 1.0 1.959 7.193 2442 2442 B 7 PHE HBx B 7 PHE HE1 1.0 1.959 7.193 2443 2443 A 39 LEU HDy% A 39 LEU HBx 1.0 1.524 2.574 2444 2444 B 39 LEU HDy% B 39 LEU HBx 1.0 1.524 2.574 2445 2445 A 39 LEU HDy% A 41 GLU H 1.0 1.976 6.898 2446 2446 B 39 LEU HDy% B 41 GLU H 1.0 1.976 6.898 2447 2447 A 39 LEU HDy% A 39 LEU HA 1.0 1.584 2.768 2448 2448 B 39 LEU HDy% B 39 LEU HA 1.0 1.584 2.768 2449 2449 A 39 LEU HBy A 39 LEU HDy% 1.0 1.885 4.197 2450 2450 B 39 LEU HBy B 39 LEU HDy% 1.0 1.885 4.197 2451 2451 A 39 LEU HDy% A 91 THR HA 1.0 1.998 6.212 2452 2452 B 39 LEU HDy% B 91 THR HA 1.0 1.998 6.212 2453 2453 A 39 LEU HG A 39 LEU HDy% 1.0 1.404 2.230 2454 2454 B 39 LEU HG B 39 LEU HDy% 1.0 1.404 2.230 2455 2455 A 39 LEU HDy% A 40 ALA H 1.0 1.998 5.726 2456 2456 B 39 LEU HDy% B 40 ALA H 1.0 1.998 5.726 2457 2457 A 86 PHE HE1 A 86 PHE HBx 1.0 1.696 9.424 2458 2458 B 86 PHE HE1 B 86 PHE HBx 1.0 1.696 9.424 2459 2459 A 82 THR HA A 82 THR HG2% 1.0 1.699 3.201 2460 2460 B 82 THR HA B 82 THR HG2% 1.0 1.699 3.201 2461 2461 A 82 THR HB A 82 THR HG2% 1.0 1.603 2.833 2462 2462 B 82 THR HB B 82 THR HG2% 1.0 1.603 2.833 2463 2463 A 105 ASP HBy A 56 THR HB 1.0 1.982 5.248 2464 2464 B 105 ASP HBy B 56 THR HB 1.0 1.982 5.248 2465 2465 A 105 ASP HBy A 105 ASP HA 1.0 1.935 4.625 2466 2466 B 105 ASP HBy B 105 ASP HA 1.0 1.935 4.625 2467 2467 A 50 ARG HDy A 50 ARG H 1.0 1.849 8.351 2468 2468 B 50 ARG HDy B 50 ARG H 1.0 1.849 8.351 2469 2469 A 50 ARG HB3 A 50 ARG HDy 1.0 1.573 2.729 2470 2470 B 50 ARG HB3 B 50 ARG HDy 1.0 1.573 2.729 2471 2471 A 41 GLU HG3 A 50 ARG HDy 1.0 1.988 6.630 2472 2472 B 41 GLU HG3 B 50 ARG HDy 1.0 1.988 6.630 2473 2473 A 50 ARG HA A 50 ARG HDy 1.0 1.598 9.990 2474 2474 B 50 ARG HA B 50 ARG HDy 1.0 1.598 9.990 2475 2475 A 50 ARG HDy A 50 ARG HGy 1.0 1.674 3.096 2476 2476 B 50 ARG HDy B 50 ARG HGy 1.0 1.674 3.096 2477 2477 A 50 ARG HDy A 50 ARG HGx 1.0 1.830 3.838 2478 2478 B 50 ARG HDy B 50 ARG HGx 1.0 1.830 3.838 2479 2479 A 9 MET HGx A 9 MET HA 1.0 1.950 4.794 2480 2480 B 9 MET HGx B 9 MET HA 1.0 1.950 4.794 2481 2481 A 9 MET HGy A 9 MET HA 1.0 1.988 5.402 2482 2482 B 9 MET HGy B 9 MET HA 1.0 1.988 5.402 2483 2483 A 9 MET HBy A 9 MET HA 1.0 1.865 4.055 2484 2484 B 9 MET HBy B 9 MET HA 1.0 1.865 4.055 2485 2485 A 102 ILE HD1% A 29 THR H 1.0 1.997 6.313 2486 2486 B 102 ILE HD1% B 29 THR H 1.0 1.997 6.313 2487 2487 A 101 PHE HA A 101 PHE HD1 1.0 1.981 6.811 2488 2488 B 101 PHE HA B 101 PHE HD1 1.0 1.981 6.811 2489 2489 A 31 ILE HG2% A 101 PHE HD1 1.0 1.920 7.682 2490 2490 B 31 ILE HG2% B 101 PHE HD1 1.0 1.920 7.682 2491 2491 A 101 PHE HBy A 101 PHE HD1 1.0 1.992 5.530 2492 2492 B 101 PHE HBy B 101 PHE HD1 1.0 1.992 5.530 2493 2493 A 101 PHE HBx A 101 PHE HD1 1.0 1.980 6.810 2494 2494 B 101 PHE HBx B 101 PHE HD1 1.0 1.980 6.810 2495 2495 A 86 PHE HE1 A 86 PHE HZ 1.0 1.988 5.412 2496 2496 B 86 PHE HE1 B 86 PHE HZ 1.0 1.988 5.412 2497 2497 A 86 PHE HE1 A 86 PHE HD1 1.0 1.994 5.566 2498 2498 B 86 PHE HE1 B 86 PHE HD1 1.0 1.994 5.566 2499 2499 A 86 PHE HE1 A 86 PHE HBy 1.0 1.876 8.116 2500 2500 B 86 PHE HE1 B 86 PHE HBy 1.0 1.876 8.116 2501 2501 A 86 PHE HE1 A 31 ILE HG1y 1.0 1.447 10.761 2502 2502 B 86 PHE HE1 B 31 ILE HG1y 1.0 1.447 10.761 2503 2503 A 86 PHE HD1 A 85 THR HA 1.0 1.998 6.234 2504 2504 B 86 PHE HD1 B 85 THR HA 1.0 1.998 6.234 2505 2505 A 86 PHE HD1 A 86 PHE HBy 1.0 1.995 6.409 2506 2506 B 86 PHE HD1 B 86 PHE HBy 1.0 1.995 6.409 2507 2507 A 86 PHE HD1 A 86 PHE HA 1.0 1.963 4.949 2508 2508 B 86 PHE HD1 B 86 PHE HA 1.0 1.963 4.949 2509 2509 A 103 ARG HGx A 86 PHE HD1 1.0 1.914 7.736 2510 2510 B 103 ARG HGx B 86 PHE HD1 1.0 1.914 7.736 2511 2511 A 86 PHE HD1 A 86 PHE HBx 1.0 1.997 6.307 2512 2512 B 86 PHE HD1 B 86 PHE HBx 1.0 1.997 6.307 2513 2513 A 79 TYR HE1 A 79 TYR H 1.0 1.816 8.614 2514 2514 B 79 TYR HE1 B 79 TYR H 1.0 1.816 8.614 2515 2515 A 79 TYR HBx A 79 TYR HE1 1.0 1.808 8.672 2516 2516 B 79 TYR HBx B 79 TYR HE1 1.0 1.808 8.672 2517 2517 A 79 TYR HE1 A 79 TYR HD1 1.0 1.912 4.410 2518 2518 B 79 TYR HE1 B 79 TYR HD1 1.0 1.912 4.410 2519 2519 A 81 THR HB A 79 TYR HE1 1.0 1.993 5.545 2520 2520 B 81 THR HB B 79 TYR HE1 1.0 1.993 5.545 2521 2521 A 79 TYR HBy A 79 TYR HE1 1.0 1.835 8.463 2522 2522 B 79 TYR HBy B 79 TYR HE1 1.0 1.835 8.463 2523 2523 A 81 THR HG2% A 79 TYR HE1 1.0 1.980 5.210 2524 2524 B 81 THR HG2% B 79 TYR HE1 1.0 1.980 5.210 2525 2525 A 111 VAL HGy% A 79 TYR HE1 1.0 1.901 4.315 2526 2526 B 111 VAL HGy% B 79 TYR HE1 1.0 1.901 4.315 2527 2527 A 111 VAL HGx% A 79 TYR HE1 1.0 1.973 5.107 2528 2528 B 111 VAL HGx% B 79 TYR HE1 1.0 1.973 5.107 2529 2529 A 111 VAL HGx% A 79 TYR HD1 1.0 1.992 5.496 2530 2530 B 111 VAL HGx% B 79 TYR HD1 1.0 1.992 5.496 2531 2531 A 81 THR H A 79 TYR HD1 1.0 1.808 8.676 2532 2532 B 81 THR H B 79 TYR HD1 1.0 1.808 8.676 2533 2533 A 79 TYR HBx A 79 TYR HD1 1.0 1.971 5.073 2534 2534 B 79 TYR HBx B 79 TYR HD1 1.0 1.971 5.073 2535 2535 A 81 THR HB A 79 TYR HD1 1.0 1.973 5.093 2536 2536 B 81 THR HB B 79 TYR HD1 1.0 1.973 5.093 2537 2537 A 79 TYR HBy A 79 TYR HD1 1.0 1.969 5.029 2538 2538 B 79 TYR HBy B 79 TYR HD1 1.0 1.969 5.029 2539 2539 A 111 VAL HGy% A 79 TYR HD1 1.0 1.989 5.413 2540 2540 B 111 VAL HGy% B 79 TYR HD1 1.0 1.989 5.413 2541 2541 A 79 TYR HA A 79 TYR HD1 1.0 1.991 5.455 2542 2542 B 79 TYR HA B 79 TYR HD1 1.0 1.991 5.455 2543 2543 A 54 PHE HE1 A 54 PHE HZ 1.0 1.994 5.592 2544 2544 B 54 PHE HE1 B 54 PHE HZ 1.0 1.994 5.592 2545 2545 A 54 PHE HBx A 54 PHE HD1 1.0 1.997 6.311 2546 2546 B 54 PHE HBx B 54 PHE HD1 1.0 1.997 6.311 2547 2547 A 54 PHE HBy A 54 PHE HD1 1.0 1.911 7.779 2548 2548 B 54 PHE HBy B 54 PHE HD1 1.0 1.911 7.779 2549 2549 A 54 PHE HD1 A 54 PHE HZ 1.0 1.990 6.570 2550 2550 B 54 PHE HD1 B 54 PHE HZ 1.0 1.990 6.570 2551 2551 A 53 PHE HE1 A 53 PHE HD1 1.0 1.976 6.888 2552 2552 B 53 PHE HE1 B 53 PHE HD1 1.0 1.976 6.888 2553 2553 A 53 PHE HE1 A 53 PHE HZ 1.0 1.917 4.457 2554 2554 B 53 PHE HE1 B 53 PHE HZ 1.0 1.917 4.457 2555 2555 A 53 PHE HD1 A 53 PHE HZ 1.0 1.984 6.724 2556 2556 B 53 PHE HD1 B 53 PHE HZ 1.0 1.984 6.724 2557 2557 A 104 ILE HG2% A 53 PHE HD1 1.0 1.978 5.174 2558 2558 B 104 ILE HG2% B 53 PHE HD1 1.0 1.978 5.174 2559 2559 A 104 ILE HD1% A 53 PHE HD1 1.0 1.996 6.350 2560 2560 B 104 ILE HD1% B 53 PHE HD1 1.0 1.996 6.350 2561 2561 A 87 VAL HGx% A 53 PHE HD1 1.0 1.843 3.921 2562 2562 B 87 VAL HGx% B 53 PHE HD1 1.0 1.843 3.921 2563 2563 A 22 VAL HGy% A 53 PHE HD1 1.0 1.878 8.104 2564 2564 B 22 VAL HGy% B 53 PHE HD1 1.0 1.878 8.104 2565 2565 A 22 VAL HB A 53 PHE HD1 1.0 1.926 7.616 2566 2566 B 22 VAL HB B 53 PHE HD1 1.0 1.926 7.616 2567 2567 A 87 VAL HB A 53 PHE HD1 1.0 1.946 4.742 2568 2568 B 87 VAL HB B 53 PHE HD1 1.0 1.946 4.742 2569 2569 A 53 PHE HBx A 53 PHE HD1 1.0 1.999 6.235 2570 2570 B 53 PHE HBx B 53 PHE HD1 1.0 1.999 6.235 2571 2571 A 53 PHE HD1 A 25 LYS H 1.0 1.829 8.511 2572 2572 B 53 PHE HD1 B 25 LYS H 1.0 1.829 8.511 2573 2573 A 87 VAL HGy% A 53 PHE HD1 1.0 1.870 4.088 2574 2574 B 87 VAL HGy% B 53 PHE HD1 1.0 1.870 4.088 2575 2575 A 53 PHE HD1 A 53 PHE HA 1.0 1.933 7.529 2576 2576 B 53 PHE HD1 B 53 PHE HA 1.0 1.933 7.529 2577 2577 A 52 TYR H A 52 TYR HE1 1.0 1.799 8.731 2578 2578 B 52 TYR H B 52 TYR HE1 1.0 1.799 8.731 2579 2579 A 52 TYR HA A 52 TYR HE1 1.0 1.723 9.253 2580 2580 B 52 TYR HA B 52 TYR HE1 1.0 1.723 9.253 2581 2581 A 52 TYR HD1 A 52 TYR HE1 1.0 1.804 3.692 2582 2582 B 52 TYR HD1 B 52 TYR HE1 1.0 1.804 3.692 2583 2583 A 50 ARG HB3 A 52 TYR HE1 1.0 1.925 4.521 2584 2584 B 50 ARG HB3 B 52 TYR HE1 1.0 1.925 4.521 2585 2585 A 52 TYR HBy A 52 TYR HE1 1.0 1.995 5.617 2586 2586 B 52 TYR HBy B 52 TYR HE1 1.0 1.995 5.617 2587 2587 A 50 ARG HGy A 52 TYR HE1 1.0 2.000 6.108 2588 2588 B 50 ARG HGy B 52 TYR HE1 1.0 2.000 6.108 2589 2589 A 50 ARG HDx A 52 TYR HE1 1.0 1.998 6.236 2590 2590 B 50 ARG HDx B 52 TYR HE1 1.0 1.998 6.236 2591 2591 A 52 TYR HBx A 52 TYR HE1 1.0 1.995 5.591 2592 2592 B 52 TYR HBx B 52 TYR HE1 1.0 1.995 5.591 2593 2593 A 50 ARG HDy A 52 TYR HE1 1.0 1.981 5.223 2594 2594 B 50 ARG HDy B 52 TYR HE1 1.0 1.981 5.223 2595 2595 A 52 TYR HD1 A 53 PHE H 1.0 1.781 8.865 2596 2596 B 52 TYR HD1 B 53 PHE H 1.0 1.781 8.865 2597 2597 A 52 TYR H A 52 TYR HD1 1.0 1.979 6.841 2598 2598 B 52 TYR H B 52 TYR HD1 1.0 1.979 6.841 2599 2599 A 52 TYR HBy A 52 TYR HD1 1.0 1.967 4.993 2600 2600 B 52 TYR HBy B 52 TYR HD1 1.0 1.967 4.993 2601 2601 A 52 TYR HD1 A 52 TYR HBx 1.0 1.958 4.890 2602 2602 B 52 TYR HD1 B 52 TYR HBx 1.0 1.958 4.890 2603 2603 A 50 ARG HDy A 52 TYR HD1 1.0 1.995 5.607 2604 2604 B 50 ARG HDy B 52 TYR HD1 1.0 1.995 5.607 2605 2605 A 53 PHE HBy A 53 PHE HZ 1.0 1.877 8.103 2606 2606 B 53 PHE HBy B 53 PHE HZ 1.0 1.877 8.103 2607 2607 A 49 PHE HA A 49 PHE HZ 1.0 1.833 8.481 2608 2608 B 49 PHE HA B 49 PHE HZ 1.0 1.833 8.481 2609 2609 A 49 PHE HE1 A 49 PHE HD1 1.0 1.899 4.297 2610 2610 B 49 PHE HE1 B 49 PHE HD1 1.0 1.899 4.297 2611 2611 A 49 PHE HE1 A 49 PHE HZ 1.0 1.909 7.799 2612 2612 B 49 PHE HE1 B 49 PHE HZ 1.0 1.909 7.799 2613 2613 A 42 VAL HGx% A 49 PHE HE1 1.0 1.997 6.325 2614 2614 B 42 VAL HGx% B 49 PHE HE1 1.0 1.997 6.325 2615 2615 A 49 PHE HZ A 49 PHE HD1 1.0 1.833 8.475 2616 2616 B 49 PHE HZ B 49 PHE HD1 1.0 1.833 8.475 2617 2617 A 49 PHE HBx A 49 PHE HD1 1.0 1.980 5.218 2618 2618 B 49 PHE HBx B 49 PHE HD1 1.0 1.980 5.218 2619 2619 A 49 PHE HA A 49 PHE HD1 1.0 1.998 5.752 2620 2620 B 49 PHE HA B 49 PHE HD1 1.0 1.998 5.752 2621 2621 A 44 ILE HB A 49 PHE HD1 1.0 1.960 4.910 2622 2622 B 44 ILE HB B 49 PHE HD1 1.0 1.960 4.910 2623 2623 A 49 PHE HBy A 49 PHE HD1 1.0 1.994 5.574 2624 2624 B 49 PHE HBy B 49 PHE HD1 1.0 1.994 5.574 2625 2625 A 44 ILE H A 49 PHE HD1 1.0 0.000 6.000 2626 2626 B 44 ILE H B 49 PHE HD1 1.0 0.000 6.000 2627 2627 A 44 ILE HD1% A 49 PHE HD1 1.0 1.969 5.033 2628 2628 B 44 ILE HD1% B 49 PHE HD1 1.0 1.969 5.033 2629 2629 A 49 PHE H A 49 PHE HD1 1.0 1.998 6.276 2630 2630 B 49 PHE H B 49 PHE HD1 1.0 1.998 6.276 2631 2631 A 42 VAL HGy% A 49 PHE HD1 1.0 1.991 5.467 2632 2632 B 42 VAL HGy% B 49 PHE HD1 1.0 1.991 5.467 2633 2633 A 12 PHE HZ A 12 PHE HD1 1.0 1.969 7.033 2634 2634 B 12 PHE HZ B 12 PHE HD1 1.0 1.969 7.033 2635 2635 A 12 PHE HD1 A 13 SER H 1.0 1.874 8.130 2636 2636 B 12 PHE HD1 B 13 SER H 1.0 1.874 8.130 2637 2637 A 12 PHE HBx A 12 PHE HD1 1.0 1.990 5.454 2638 2638 B 12 PHE HBx B 12 PHE HD1 1.0 1.990 5.454 2639 2639 A 12 PHE HD1 A 12 PHE HA 1.0 1.999 5.891 2640 2640 B 12 PHE HD1 B 12 PHE HA 1.0 1.999 5.891 2641 2641 A 12 PHE HD1 A 12 PHE HBy 1.0 1.991 5.495 2642 2642 B 12 PHE HD1 B 12 PHE HBy 1.0 1.991 5.495 2643 2643 A 12 PHE HE1 A 12 PHE HA 1.0 1.991 6.525 2644 2644 B 12 PHE HE1 B 12 PHE HA 1.0 1.991 6.525 2645 2645 A 12 PHE HE1 A 12 PHE HBy 1.0 1.957 7.211 2646 2646 B 12 PHE HE1 B 12 PHE HBy 1.0 1.957 7.211 2647 2647 A 12 PHE HZ A 12 PHE HA 1.0 1.967 7.067 2648 2648 B 12 PHE HZ B 12 PHE HA 1.0 1.967 7.067 2649 2649 A 7 PHE HE1 A 7 PHE HZ 1.0 1.967 4.993 2650 2650 B 7 PHE HE1 B 7 PHE HZ 1.0 1.967 4.993 2651 2651 A 7 PHE HD1 A 7 PHE HE1 1.0 1.592 2.794 2652 2652 B 7 PHE HD1 B 7 PHE HE1 1.0 1.592 2.794 2653 2653 A 7 PHE HD1 A 12 PHE H 1.0 1.960 7.166 2654 2654 B 7 PHE HD1 B 12 PHE H 1.0 1.960 7.166 2655 2655 A 6 VAL HGx% A 7 PHE HD1 1.0 1.985 5.335 2656 2656 B 6 VAL HGx% B 7 PHE HD1 1.0 1.985 5.335 2657 2657 A 7 PHE HD1 A 7 PHE HBy 1.0 1.945 4.727 2658 2658 B 7 PHE HD1 B 7 PHE HBy 1.0 1.945 4.727 2659 2659 A 7 PHE HD1 A 11 GLU HGy 1.0 1.894 7.948 2660 2660 B 7 PHE HD1 B 11 GLU HGy 1.0 1.894 7.948 2661 2661 A 7 PHE HD1 A 7 PHE HA 1.0 1.974 5.110 2662 2662 B 7 PHE HD1 B 7 PHE HA 1.0 1.974 5.110 2663 2663 A 6 VAL HB A 7 PHE HD1 1.0 1.929 7.583 2664 2664 B 6 VAL HB B 7 PHE HD1 1.0 1.929 7.583 2665 2665 A 7 PHE HD1 A 7 PHE HBx 1.0 1.943 4.713 2666 2666 B 7 PHE HD1 B 7 PHE HBx 1.0 1.943 4.713 2667 2667 A 8 HIS HBx A 8 HIS HE1 1.0 1.748 9.096 2668 2668 B 8 HIS HBx B 8 HIS HE1 1.0 1.748 9.096 2669 2669 A 4 HIS HA A 4 HIS HE1 1.0 1.612 9.910 2670 2670 B 4 HIS HA B 4 HIS HE1 1.0 1.612 9.910 2671 2671 A 99 TRP HD1 A 99 TRP HZ3 1.0 1.867 8.195 2672 2672 B 99 TRP HD1 B 99 TRP HZ3 1.0 1.867 8.195 2673 2673 A 99 TRP HZ3 A 99 TRP HE1 1.0 1.739 9.147 2674 2674 B 99 TRP HZ3 B 99 TRP HE1 1.0 1.739 9.147 2675 2675 A 99 TRP HE3 A 99 TRP HD1 1.0 1.968 5.012 2676 2676 B 99 TRP HE3 B 99 TRP HD1 1.0 1.968 5.012 2677 2677 A 76 TRP HD1 A 76 TRP HBx 1.0 2.000 5.878 2678 2678 B 76 TRP HD1 B 76 TRP HBx 1.0 2.000 5.878 2679 2679 A 76 TRP HD1 A 76 TRP HZ2 1.0 1.998 5.756 2680 2680 B 76 TRP HD1 B 76 TRP HZ2 1.0 1.998 5.756 2681 2681 A 76 TRP HD1 A 112 LEU HDx% 1.0 1.982 5.246 2682 2682 B 76 TRP HD1 B 112 LEU HDx% 1.0 1.982 5.246 2683 2683 A 4 HIS HBy A 4 HIS HD2 1.0 1.993 5.525 2684 2684 B 4 HIS HBy B 4 HIS HD2 1.0 1.993 5.525 2685 2685 A 6 VAL HGx% A 4 HIS HD2 1.0 1.998 6.252 2686 2686 B 6 VAL HGx% B 4 HIS HD2 1.0 1.998 6.252 2687 2687 A 4 HIS HBx A 4 HIS HD2 1.0 1.863 4.041 2688 2688 B 4 HIS HBx B 4 HIS HD2 1.0 1.863 4.041 2689 2689 A 4 HIS HD2 A 4 HIS HA 1.0 2.000 6.120 2690 2690 B 4 HIS HD2 B 4 HIS HA 1.0 2.000 6.120 2691 2691 A 90 LEU HDy% A 99 TRP HD1 1.0 1.915 7.739 2692 2692 B 90 LEU HDy% B 99 TRP HD1 1.0 1.915 7.739 2693 2693 A 99 TRP HBy A 99 TRP HD1 1.0 1.985 5.321 2694 2694 B 99 TRP HBy B 99 TRP HD1 1.0 1.985 5.321 2695 2695 A 7 PHE HBx A 7 PHE HZ 1.0 1.894 7.952 2696 2696 B 7 PHE HBx B 7 PHE HZ 1.0 1.894 7.952 2697 2697 A 76 TRP HE3 A 76 TRP HBx 1.0 1.945 4.727 2698 2698 B 76 TRP HE3 B 76 TRP HBx 1.0 1.945 4.727 2699 2699 A 76 TRP HE3 A 112 LEU HDy% 1.0 1.990 5.448 2700 2700 B 76 TRP HE3 B 112 LEU HDy% 1.0 1.990 5.448 2701 2701 A 49 PHE HBy A 49 PHE HZ 1.0 1.989 6.603 2702 2702 B 49 PHE HBy B 49 PHE HZ 1.0 1.989 6.603 2703 2703 A 21 TRP HZ3 A 21 TRP HZ2 1.0 1.872 8.150 2704 2704 B 21 TRP HZ3 B 21 TRP HZ2 1.0 1.872 8.150 2705 2705 A 21 TRP HE3 A 21 TRP HZ2 1.0 1.956 7.230 2706 2706 B 21 TRP HE3 B 21 TRP HZ2 1.0 1.956 7.230 2707 2707 A 21 TRP HD1 A 21 TRP HZ2 1.0 1.815 8.611 2708 2708 B 21 TRP HD1 B 21 TRP HZ2 1.0 1.815 8.611 2709 2709 A 21 TRP HZ2 A 21 TRP HH2 1.0 1.912 4.414 2710 2710 B 21 TRP HZ2 B 21 TRP HH2 1.0 1.912 4.414 2711 2711 A 54 PHE HBy A 21 TRP HZ2 1.0 1.989 5.421 2712 2712 B 54 PHE HBy B 21 TRP HZ2 1.0 1.989 5.421 2713 2713 A 8 HIS HD2 A 8 HIS HA 1.0 2.000 5.942 2714 2714 B 8 HIS HD2 B 8 HIS HA 1.0 2.000 5.942 2715 2715 A 8 HIS HD2 A 8 HIS HBy 1.0 1.905 4.355 2716 2716 B 8 HIS HD2 B 8 HIS HBy 1.0 1.905 4.355 2717 2717 A 8 HIS HD2 A 8 HIS HBx 1.0 1.998 5.768 2718 2718 B 8 HIS HD2 B 8 HIS HBx 1.0 1.998 5.768 2719 2719 A 103 ARG HBx A 86 PHE HZ 1.0 1.807 3.705 2720 2720 B 103 ARG HBx B 86 PHE HZ 1.0 1.807 3.705 2721 2721 A 99 TRP HE3 A 99 TRP HZ3 1.0 1.938 4.662 2722 2722 B 99 TRP HE3 B 99 TRP HZ3 1.0 1.938 4.662 2723 2723 A 84 HIS HD2 A 84 HIS HBx 1.0 1.986 6.664 2724 2724 B 84 HIS HD2 B 84 HIS HBx 1.0 1.986 6.664 2725 2725 A 84 HIS HD2 A 84 HIS HBy 1.0 2.000 6.012 2726 2726 B 84 HIS HD2 B 84 HIS HBy 1.0 2.000 6.012 2727 2727 A 21 TRP HZ3 A 21 TRP HE3 1.0 1.912 4.410 2728 2728 B 21 TRP HZ3 B 21 TRP HE3 1.0 1.912 4.410 2729 2729 A 21 TRP HBx A 21 TRP HE3 1.0 1.915 7.733 2730 2730 B 21 TRP HBx B 21 TRP HE3 1.0 1.915 7.733 2731 2731 A 21 TRP HBy A 21 TRP HE3 1.0 1.917 4.451 2732 2732 B 21 TRP HBy B 21 TRP HE3 1.0 1.917 4.451 2733 2733 A 53 PHE HBx A 53 PHE HZ 1.0 1.926 7.606 2734 2734 B 53 PHE HBx B 53 PHE HZ 1.0 1.926 7.606 2735 2735 A 76 TRP HZ3 A 114 ARG H 1.0 1.939 4.665 2736 2736 B 76 TRP HZ3 B 114 ARG H 1.0 1.939 4.665 2737 2737 A 99 TRP HZ3 A 99 TRP HZ2 1.0 1.992 6.528 2738 2738 B 99 TRP HZ3 B 99 TRP HZ2 1.0 1.992 6.528 2739 2739 A 90 LEU HDx% A 99 TRP HZ2 1.0 1.960 4.904 2740 2740 B 90 LEU HDx% B 99 TRP HZ2 1.0 1.960 4.904 2741 2741 A 42 VAL HGx% A 99 TRP HZ2 1.0 1.984 5.298 2742 2742 B 42 VAL HGx% B 99 TRP HZ2 1.0 1.984 5.298 2743 2743 A 75 HIS HD2 A 75 HIS HE1 1.0 1.782 8.854 2744 2744 B 75 HIS HD2 B 75 HIS HE1 1.0 1.782 8.854 2745 2745 A 75 HIS HBy A 75 HIS HD2 1.0 1.972 5.092 2746 2746 B 75 HIS HBy B 75 HIS HD2 1.0 1.972 5.092 2747 2747 A 75 HIS HBx A 75 HIS HD2 1.0 1.968 5.030 2748 2748 B 75 HIS HBx B 75 HIS HD2 1.0 1.968 5.030 2749 2749 A 21 TRP HBx A 21 TRP HD1 1.0 1.931 4.581 2750 2750 B 21 TRP HBx B 21 TRP HD1 1.0 1.931 4.581 2751 2751 A 21 TRP HBy A 21 TRP HD1 1.0 1.963 7.133 2752 2752 B 21 TRP HBy B 21 TRP HD1 1.0 1.963 7.133 2753 2753 A 8 HIS HBy A 8 HIS HE1 1.0 1.813 8.635 2754 2754 B 8 HIS HBy B 8 HIS HE1 1.0 1.813 8.635 2755 2755 A 102 ILE HD1% A 53 PHE HD1 1.0 1.980 5.228 2756 2756 B 102 ILE HD1% B 53 PHE HD1 1.0 1.980 5.228 2757 2757 A 60 ALA HB% A 60 ALA H 1.0 1.957 4.867 2758 2758 B 60 ALA HB% B 60 ALA H 1.0 1.957 4.867 2759 2759 A 60 ALA HA A 60 ALA H 1.0 1.881 4.167 2760 2760 B 60 ALA HA B 60 ALA H 1.0 1.881 4.167 2761 2761 A 64 VAL HA A 64 VAL H 1.0 1.903 4.341 2762 2762 B 64 VAL HA B 64 VAL H 1.0 1.903 4.341 2763 2763 A 63 PRO HBx A 64 VAL H 1.0 1.985 6.713 2764 2764 B 63 PRO HBx B 64 VAL H 1.0 1.985 6.713 2765 2765 A 62 ASN HBy A 64 VAL H 1.0 1.943 4.709 2766 2766 B 62 ASN HBy B 64 VAL H 1.0 1.943 4.709 2767 2767 A 64 VAL HGy% A 64 VAL H 1.0 1.534 2.602 2768 2768 B 64 VAL HGy% B 64 VAL H 1.0 1.534 2.602 2769 2769 A 14 VAL HB A 14 VAL H 1.0 1.959 4.891 2770 2770 B 14 VAL HB B 14 VAL H 1.0 1.959 4.891 2771 2771 A 14 VAL HGy% A 14 VAL H 1.0 1.708 3.234 2772 2772 B 14 VAL HGy% B 14 VAL H 1.0 1.708 3.234 2773 2773 A 14 VAL HGx% A 14 VAL H 1.0 1.708 3.234 2774 2774 B 14 VAL HGx% B 14 VAL H 1.0 1.708 3.234 2775 2775 A 13 SER HA A 14 VAL H 1.0 1.835 3.869 2776 2776 B 13 SER HA B 14 VAL H 1.0 1.835 3.869 2777 2777 A 13 SER HBx A 14 VAL H 1.0 1.990 6.568 2778 2778 B 13 SER HBx B 14 VAL H 1.0 1.990 6.568 2779 2779 A 11 GLU HGx A 12 PHE H 1.0 1.987 6.643 2780 2780 B 11 GLU HGx B 12 PHE H 1.0 1.987 6.643 2781 2781 A 11 GLU HBx A 12 PHE H 1.0 1.881 8.065 2782 2782 B 11 GLU HBx B 12 PHE H 1.0 1.881 8.065 2783 2783 A 74 LYS HBy A 73 SER H 1.0 1.911 7.781 2784 2784 B 74 LYS HBy B 73 SER H 1.0 1.911 7.781 2785 2785 A 72 ASP HB3 A 73 SER H 1.0 1.946 7.370 2786 2786 B 72 ASP HB3 B 73 SER H 1.0 1.946 7.370 2787 2787 A 71 ILE HG2% A 73 SER H 1.0 1.925 4.529 2788 2788 B 71 ILE HG2% B 73 SER H 1.0 1.925 4.529 2789 2789 A 104 ILE HG1y A 105 ASP H 1.0 1.985 5.331 2790 2790 B 104 ILE HG1y B 105 ASP H 1.0 1.985 5.331 2791 2791 A 105 ASP H A 105 ASP HBx 1.0 1.814 3.746 2792 2792 B 105 ASP H B 105 ASP HBx 1.0 1.814 3.746 2793 2793 A 105 ASP H A 104 ILE HB 1.0 1.810 3.726 2794 2794 B 105 ASP H B 104 ILE HB 1.0 1.810 3.726 2795 2795 A 105 ASP H A 104 ILE HD1% 1.0 1.991 5.487 2796 2796 B 105 ASP H B 104 ILE HD1% 1.0 1.991 5.487 2797 2797 A 105 ASP H A 105 ASP HBy 1.0 1.999 5.859 2798 2798 B 105 ASP H B 105 ASP HBy 1.0 1.999 5.859 2799 2799 A 33 GLY HAx A 33 GLY H 1.0 1.879 4.153 2800 2800 B 33 GLY HAx B 33 GLY H 1.0 1.879 4.153 2801 2801 A 32 LYS HB3 A 33 GLY H 1.0 1.870 4.088 2802 2802 B 32 LYS HB3 B 33 GLY H 1.0 1.870 4.088 2803 2803 A 29 THR HG2% A 33 GLY H 1.0 1.784 3.586 2804 2804 B 29 THR HG2% B 33 GLY H 1.0 1.784 3.586 2805 2805 A 33 GLY HAy A 33 GLY H 1.0 1.673 3.091 2806 2806 B 33 GLY HAy B 33 GLY H 1.0 1.673 3.091 2807 2807 A 76 TRP H A 73 SER H 1.0 2.000 5.940 2808 2808 B 76 TRP H B 73 SER H 1.0 2.000 5.940 2809 2809 A 76 TRP HA A 76 TRP H 1.0 1.855 3.993 2810 2810 B 76 TRP HA B 76 TRP H 1.0 1.855 3.993 2811 2811 A 112 LEU HDy% A 76 TRP H 1.0 1.989 6.621 2812 2812 B 112 LEU HDy% B 76 TRP H 1.0 1.989 6.621 2813 2813 A 77 ASN H A 76 TRP H 1.0 2.000 6.010 2814 2814 B 77 ASN H B 76 TRP H 1.0 2.000 6.010 2815 2815 A 76 TRP HBy A 76 TRP H 1.0 1.813 3.743 2816 2816 B 76 TRP HBy B 76 TRP H 1.0 1.813 3.743 2817 2817 A 76 TRP HBx A 76 TRP H 1.0 1.988 5.396 2818 2818 B 76 TRP HBx B 76 TRP H 1.0 1.988 5.396 2819 2819 A 75 HIS HA A 76 TRP H 1.0 1.966 4.996 2820 2820 B 75 HIS HA B 76 TRP H 1.0 1.966 4.996 2821 2821 A 7 PHE HA A 6 VAL H 1.0 1.999 5.855 2822 2822 B 7 PHE HA B 6 VAL H 1.0 1.999 5.855 2823 2823 A 5 PRO HDx A 6 VAL H 1.0 1.995 5.601 2824 2824 B 5 PRO HDx B 6 VAL H 1.0 1.995 5.601 2825 2825 A 4 HIS HA A 6 VAL H 1.0 1.999 5.785 2826 2826 B 4 HIS HA B 6 VAL H 1.0 1.999 5.785 2827 2827 A 92 THR H A 37 THR HB 1.0 1.674 3.094 2828 2828 B 92 THR H B 37 THR HB 1.0 1.674 3.094 2829 2829 A 92 THR H A 39 LEU HG 1.0 1.920 4.478 2830 2830 B 92 THR H B 39 LEU HG 1.0 1.920 4.478 2831 2831 A 91 THR HB A 92 THR H 1.0 1.684 3.140 2832 2832 B 91 THR HB B 92 THR H 1.0 1.684 3.140 2833 2833 A 92 THR H A 39 LEU HDy% 1.0 1.879 4.151 2834 2834 B 92 THR H B 39 LEU HDy% 1.0 1.879 4.151 2835 2835 A 55 GLU HBy A 56 THR H 1.0 1.974 6.924 2836 2836 B 55 GLU HBy B 56 THR H 1.0 1.974 6.924 2837 2837 A 56 THR HA A 56 THR H 1.0 1.800 3.668 2838 2838 B 56 THR HA B 56 THR H 1.0 1.800 3.668 2839 2839 A 55 GLU HGy A 56 THR H 1.0 1.704 9.372 2840 2840 B 55 GLU HGy B 56 THR H 1.0 1.704 9.372 2841 2841 A 56 THR HG2% A 56 THR H 1.0 1.998 6.254 2842 2842 B 56 THR HG2% B 56 THR H 1.0 1.998 6.254 2843 2843 A 106 THR HA A 56 THR H 1.0 1.934 4.612 2844 2844 B 106 THR HA B 56 THR H 1.0 1.934 4.612 2845 2845 A 56 THR HB A 56 THR H 1.0 1.921 4.483 2846 2846 B 56 THR HB B 56 THR H 1.0 1.921 4.483 2847 2847 A 43 ASN H A 42 VAL HA 1.0 1.558 2.680 2848 2848 B 43 ASN H B 42 VAL HA 1.0 1.558 2.680 2849 2849 A 42 VAL HGy% A 43 ASN H 1.0 1.912 4.410 2850 2850 B 42 VAL HGy% B 43 ASN H 1.0 1.912 4.410 2851 2851 A 43 ASN HA A 43 ASN H 1.0 1.934 4.614 2852 2852 B 43 ASN HA B 43 ASN H 1.0 1.934 4.614 2853 2853 A 43 ASN H A 43 ASN HBx 1.0 1.814 3.742 2854 2854 B 43 ASN H B 43 ASN HBx 1.0 1.814 3.742 2855 2855 A 93 ASP HA A 93 ASP H 1.0 1.863 4.045 2856 2856 B 93 ASP HA B 93 ASP H 1.0 1.863 4.045 2857 2857 A 92 THR HB A 93 ASP H 1.0 1.976 6.892 2858 2858 B 92 THR HB B 93 ASP H 1.0 1.976 6.892 2859 2859 A 93 ASP HB3 A 93 ASP H 1.0 1.981 5.229 2860 2860 B 93 ASP HB3 B 93 ASP H 1.0 1.981 5.229 2861 2861 A 92 THR HA A 93 ASP H 1.0 1.712 3.252 2862 2862 B 92 THR HA B 93 ASP H 1.0 1.712 3.252 2863 2863 A 67 GLY HAx A 67 GLY H 1.0 1.767 3.505 2864 2864 B 67 GLY HAx B 67 GLY H 1.0 1.767 3.505 2865 2865 A 67 GLY HAy A 67 GLY H 1.0 1.888 4.216 2866 2866 B 67 GLY HAy B 67 GLY H 1.0 1.888 4.216 2867 2867 A 64 VAL HGy% A 67 GLY H 1.0 1.585 2.771 2868 2868 B 64 VAL HGy% B 67 GLY H 1.0 1.585 2.771 2869 2869 A 113 SER H A 76 TRP HE1 1.0 1.883 8.057 2870 2870 B 113 SER H B 76 TRP HE1 1.0 1.883 8.057 2871 2871 A 112 LEU HA A 113 SER H 1.0 1.738 3.370 2872 2872 B 112 LEU HA B 113 SER H 1.0 1.738 3.370 2873 2873 A 112 LEU HDy% A 113 SER H 1.0 1.986 5.326 2874 2874 B 112 LEU HDy% B 113 SER H 1.0 1.986 5.326 2875 2875 A 78 SER HA A 113 SER H 1.0 2.000 5.882 2876 2876 B 78 SER HA B 113 SER H 1.0 2.000 5.882 2877 2877 A 113 SER HA A 113 SER H 1.0 1.876 4.136 2878 2878 B 113 SER HA B 113 SER H 1.0 1.876 4.136 2879 2879 A 101 PHE HBx A 31 ILE H 1.0 1.974 6.948 2880 2880 B 101 PHE HBx B 31 ILE H 1.0 1.974 6.948 2881 2881 A 31 ILE H A 31 ILE HA 1.0 1.906 4.354 2882 2882 B 31 ILE H B 31 ILE HA 1.0 1.906 4.354 2883 2883 A 31 ILE H A 33 GLY H 1.0 1.995 6.407 2884 2884 B 31 ILE H B 33 GLY H 1.0 1.995 6.407 2885 2885 A 31 ILE H A 31 ILE HB 1.0 1.766 3.498 2886 2886 B 31 ILE H B 31 ILE HB 1.0 1.766 3.498 2887 2887 A 30 ASP HA A 31 ILE H 1.0 1.848 3.944 2888 2888 B 30 ASP HA B 31 ILE H 1.0 1.848 3.944 2889 2889 A 31 ILE HD1% A 31 ILE H 1.0 1.999 6.169 2890 2890 B 31 ILE HD1% B 31 ILE H 1.0 1.999 6.169 2891 2891 A 30 ASP HBx A 31 ILE H 1.0 1.982 5.252 2892 2892 B 30 ASP HBx B 31 ILE H 1.0 1.982 5.252 2893 2893 A 32 LYS HGx A 31 ILE H 1.0 1.897 4.287 2894 2894 B 32 LYS HGx B 31 ILE H 1.0 1.897 4.287 2895 2895 A 31 ILE HG2% A 31 ILE H 1.0 1.605 2.841 2896 2896 B 31 ILE HG2% B 31 ILE H 1.0 1.605 2.841 2897 2897 A 50 ARG HGx A 50 ARG H 1.0 1.798 3.658 2898 2898 B 50 ARG HGx B 50 ARG H 1.0 1.798 3.658 2899 2899 A 50 ARG HA A 50 ARG H 1.0 1.925 4.523 2900 2900 B 50 ARG HA B 50 ARG H 1.0 1.925 4.523 2901 2901 A 50 ARG HB3 A 50 ARG H 1.0 1.805 3.695 2902 2902 B 50 ARG HB3 B 50 ARG H 1.0 1.805 3.695 2903 2903 A 80 CYS HBx A 81 THR H 1.0 1.992 5.510 2904 2904 B 80 CYS HBx B 81 THR H 1.0 1.992 5.510 2905 2905 A 111 VAL HGx% A 81 THR H 1.0 1.924 4.518 2906 2906 B 111 VAL HGx% B 81 THR H 1.0 1.924 4.518 2907 2907 A 81 THR HA A 81 THR H 1.0 1.915 4.433 2908 2908 B 81 THR HA B 81 THR H 1.0 1.915 4.433 2909 2909 A 52 TYR H A 51 GLN HA 1.0 1.930 4.574 2910 2910 B 52 TYR H B 51 GLN HA 1.0 1.930 4.574 2911 2911 A 22 VAL HGy% A 22 VAL H 1.0 1.659 3.037 2912 2912 B 22 VAL HGy% B 22 VAL H 1.0 1.659 3.037 2913 2913 A 53 PHE HA A 22 VAL H 1.0 1.996 6.362 2914 2914 B 53 PHE HA B 22 VAL H 1.0 1.996 6.362 2915 2915 A 23 GLY HAy A 22 VAL H 1.0 1.993 6.503 2916 2916 B 23 GLY HAy B 22 VAL H 1.0 1.993 6.503 2917 2917 A 21 TRP HBx A 22 VAL H 1.0 1.975 6.929 2918 2918 B 21 TRP HBx B 22 VAL H 1.0 1.975 6.929 2919 2919 A 22 VAL HGx% A 22 VAL H 1.0 1.997 5.701 2920 2920 B 22 VAL HGx% B 22 VAL H 1.0 1.997 5.701 2921 2921 A 20 VAL HGy% A 22 VAL H 1.0 0.000 6.000 2922 2922 B 20 VAL HGy% B 22 VAL H 1.0 0.000 6.000 2923 2923 A 21 TRP HA A 22 VAL H 1.0 1.716 3.268 2924 2924 B 21 TRP HA B 22 VAL H 1.0 1.716 3.268 2925 2925 A 22 VAL HB A 22 VAL H 1.0 1.719 3.283 2926 2926 B 22 VAL HB B 22 VAL H 1.0 1.719 3.283 2927 2927 A 53 PHE HD1 A 22 VAL H 1.0 1.871 8.169 2928 2928 B 53 PHE HD1 B 22 VAL H 1.0 1.871 8.169 2929 2929 A 7 PHE HA A 8 HIS H 1.0 1.824 3.800 2930 2930 B 7 PHE HA B 8 HIS H 1.0 1.824 3.800 2931 2931 A 8 HIS HA A 8 HIS H 1.0 1.809 3.719 2932 2932 B 8 HIS HA B 8 HIS H 1.0 1.809 3.719 2933 2933 A 108 CYS H A 107 ALA HA 1.0 1.741 3.381 2934 2934 B 108 CYS H B 107 ALA HA 1.0 1.741 3.381 2935 2935 A 108 CYS H A 108 CYS HA 1.0 1.883 4.181 2936 2936 B 108 CYS H B 108 CYS HA 1.0 1.883 4.181 2937 2937 A 108 CYS H A 107 ALA HB% 1.0 1.628 2.920 2938 2938 B 108 CYS H B 107 ALA HB% 1.0 1.628 2.920 2939 2939 A 108 CYS H A 56 THR HG2% 1.0 1.907 4.367 2940 2940 B 108 CYS H B 56 THR HG2% 1.0 1.907 4.367 2941 2941 A 108 CYS H A 108 CYS HBx 1.0 1.988 5.380 2942 2942 B 108 CYS H B 108 CYS HBx 1.0 1.988 5.380 2943 2943 A 106 THR HB A 106 THR H 1.0 1.991 5.473 2944 2944 B 106 THR HB B 106 THR H 1.0 1.991 5.473 2945 2945 A 106 THR HG2% A 106 THR H 1.0 1.777 3.551 2946 2946 B 106 THR HG2% B 106 THR H 1.0 1.777 3.551 2947 2947 A 16 ASP HBy A 59 ARG H 1.0 1.979 5.201 2948 2948 B 16 ASP HBy B 59 ARG H 1.0 1.979 5.201 2949 2949 A 59 ARG HGx A 59 ARG H 1.0 1.666 3.064 2950 2950 B 59 ARG HGx B 59 ARG H 1.0 1.666 3.064 2951 2951 A 59 ARG HBx A 59 ARG H 1.0 1.686 3.144 2952 2952 B 59 ARG HBx B 59 ARG H 1.0 1.686 3.144 2953 2953 A 59 ARG HDy A 59 ARG H 1.0 1.955 7.243 2954 2954 B 59 ARG HDy B 59 ARG H 1.0 1.955 7.243 2955 2955 A 59 ARG HA A 59 ARG H 1.0 1.872 4.104 2956 2956 B 59 ARG HA B 59 ARG H 1.0 1.872 4.104 2957 2957 A 108 CYS HBx A 59 ARG H 1.0 1.988 6.626 2958 2958 B 108 CYS HBx B 59 ARG H 1.0 1.988 6.626 2959 2959 A 58 CYS H A 59 ARG H 1.0 2.000 6.080 2960 2960 B 58 CYS H B 59 ARG H 1.0 2.000 6.080 2961 2961 A 42 VAL HGy% A 44 ILE H 1.0 1.945 4.731 2962 2962 B 42 VAL HGy% B 44 ILE H 1.0 1.945 4.731 2963 2963 A 44 ILE H A 44 ILE HA 1.0 1.876 4.128 2964 2964 B 44 ILE H B 44 ILE HA 1.0 1.876 4.128 2965 2965 A 44 ILE HB A 44 ILE H 1.0 1.759 3.463 2966 2966 B 44 ILE HB B 44 ILE H 1.0 1.759 3.463 2967 2967 A 44 ILE H A 43 ASN HA 1.0 1.606 2.844 2968 2968 B 44 ILE H B 43 ASN HA 1.0 1.606 2.844 2969 2969 A 44 ILE H A 43 ASN HBx 1.0 1.920 7.684 2970 2970 B 44 ILE H B 43 ASN HBx 1.0 1.920 7.684 2971 2971 A 44 ILE H A 48 VAL HGy% 1.0 1.952 4.810 2972 2972 B 44 ILE H B 48 VAL HGy% 1.0 1.952 4.810 2973 2973 A 38 VAL H A 91 THR HA 1.0 1.995 6.421 2974 2974 B 38 VAL H B 91 THR HA 1.0 1.995 6.421 2975 2975 A 38 VAL H A 38 VAL HGy% 1.0 1.643 2.977 2976 2976 B 38 VAL H B 38 VAL HGy% 1.0 1.643 2.977 2977 2977 A 38 VAL H A 27 THR HG2% 1.0 1.850 3.954 2978 2978 B 38 VAL H B 27 THR HG2% 1.0 1.850 3.954 2979 2979 A 38 VAL H A 38 VAL HB 1.0 1.685 3.139 2980 2980 B 38 VAL H B 38 VAL HB 1.0 1.685 3.139 2981 2981 A 38 VAL H A 38 VAL HGx% 1.0 1.930 4.570 2982 2982 B 38 VAL H B 38 VAL HGx% 1.0 1.930 4.570 2983 2983 A 38 VAL H A 27 THR HA 1.0 1.914 4.426 2984 2984 B 38 VAL H B 27 THR HA 1.0 1.914 4.426 2985 2985 A 38 VAL H A 38 VAL HA 1.0 1.918 4.458 2986 2986 B 38 VAL H B 38 VAL HA 1.0 1.918 4.458 2987 2987 A 38 VAL H A 37 THR HA 1.0 1.603 2.831 2988 2988 B 38 VAL H B 37 THR HA 1.0 1.603 2.831 2989 2989 A 69 ARG HGy A 70 GLY H 1.0 1.946 7.370 2990 2990 B 69 ARG HGy B 70 GLY H 1.0 1.946 7.370 2991 2991 A 69 ARG HGx A 70 GLY H 1.0 1.947 7.361 2992 2992 B 69 ARG HGx B 70 GLY H 1.0 1.947 7.361 2993 2993 A 64 VAL HGy% A 70 GLY H 1.0 2.000 6.036 2994 2994 B 64 VAL HGy% B 70 GLY H 1.0 2.000 6.036 2995 2995 A 36 VAL HB A 37 THR H 1.0 1.630 2.930 2996 2996 B 36 VAL HB B 37 THR H 1.0 1.630 2.930 2997 2997 A 92 THR H A 37 THR H 1.0 1.882 4.174 2998 2998 B 92 THR H B 37 THR H 1.0 1.882 4.174 2999 2999 A 36 VAL HGx% A 37 THR H 1.0 1.938 4.654 3000 3000 B 36 VAL HGx% B 37 THR H 1.0 1.938 4.654 3001 3001 A 36 VAL HA A 37 THR H 1.0 1.642 2.976 3002 3002 B 36 VAL HA B 37 THR H 1.0 1.642 2.976 3003 3003 A 37 THR HB A 37 THR H 1.0 1.612 2.864 3004 3004 B 37 THR HB B 37 THR H 1.0 1.612 2.864 3005 3005 A 27 THR HA A 37 THR H 1.0 2.000 5.866 3006 3006 B 27 THR HA B 37 THR H 1.0 2.000 5.866 3007 3007 A 37 THR HG2% A 37 THR H 1.0 1.915 4.433 3008 3008 B 37 THR HG2% B 37 THR H 1.0 1.915 4.433 3009 3009 A 36 VAL HGy% A 37 THR H 1.0 1.898 4.298 3010 3010 B 36 VAL HGy% B 37 THR H 1.0 1.898 4.298 3011 3011 A 92 THR HA A 37 THR H 1.0 2.000 5.874 3012 3012 B 92 THR HA B 37 THR H 1.0 2.000 5.874 3013 3013 A 37 THR HA A 37 THR H 1.0 1.640 2.966 3014 3014 B 37 THR HA B 37 THR H 1.0 1.640 2.966 3015 3015 A 80 CYS HBy A 80 CYS H 1.0 1.828 3.826 3016 3016 B 80 CYS HBy B 80 CYS H 1.0 1.828 3.826 3017 3017 A 79 TYR HBx A 80 CYS H 1.0 1.977 6.875 3018 3018 B 79 TYR HBx B 80 CYS H 1.0 1.977 6.875 3019 3019 A 80 CYS HA A 80 CYS H 1.0 1.971 5.059 3020 3020 B 80 CYS HA B 80 CYS H 1.0 1.971 5.059 3021 3021 A 43 ASN HA A 43 ASN HD22 1.0 1.933 7.527 3022 3022 B 43 ASN HA B 43 ASN HD22 1.0 1.933 7.527 3023 3023 A 43 ASN HBx A 43 ASN HD22 1.0 2.000 5.962 3024 3024 B 43 ASN HBx B 43 ASN HD22 1.0 2.000 5.962 3025 3025 A 43 ASN HBy A 43 ASN HD22 1.0 1.970 7.004 3026 3026 B 43 ASN HBy B 43 ASN HD22 1.0 1.970 7.004 3027 3027 A 62 ASN HA A 62 ASN HD21 1.0 1.950 7.320 3028 3028 B 62 ASN HA B 62 ASN HD21 1.0 1.950 7.320 3029 3029 A 62 ASN HBy A 62 ASN HD21 1.0 2.000 6.120 3030 3030 B 62 ASN HBy B 62 ASN HD21 1.0 2.000 6.120 3031 3031 A 102 ILE HG2% A 103 ARG H 1.0 1.926 4.538 3032 3032 B 102 ILE HG2% B 103 ARG H 1.0 1.926 4.538 3033 3033 A 103 ARG HGy A 103 ARG H 1.0 1.978 5.188 3034 3034 B 103 ARG HGy B 103 ARG H 1.0 1.978 5.188 3035 3035 A 103 ARG HDy A 103 ARG H 1.0 1.883 8.045 3036 3036 B 103 ARG HDy B 103 ARG H 1.0 1.883 8.045 3037 3037 A 102 ILE HD1% A 103 ARG H 1.0 1.999 6.133 3038 3038 B 102 ILE HD1% B 103 ARG H 1.0 1.999 6.133 3039 3039 A 103 ARG HGx A 103 ARG H 1.0 1.618 2.886 3040 3040 B 103 ARG HGx B 103 ARG H 1.0 1.618 2.886 3041 3041 A 114 ARG HA A 114 ARG H 1.0 1.930 4.580 3042 3042 B 114 ARG HA B 114 ARG H 1.0 1.930 4.580 3043 3043 A 113 SER HB3 A 114 ARG H 1.0 1.997 6.343 3044 3044 B 113 SER HB3 B 114 ARG H 1.0 1.997 6.343 3045 3045 A 113 SER HA A 114 ARG H 1.0 1.644 2.982 3046 3046 B 113 SER HA B 114 ARG H 1.0 1.644 2.982 3047 3047 A 114 ARG HDx A 114 ARG H 1.0 1.914 7.742 3048 3048 B 114 ARG HDx B 114 ARG H 1.0 1.914 7.742 3049 3049 A 114 ARG HB3 A 114 ARG H 1.0 1.772 3.528 3050 3050 B 114 ARG HB3 B 114 ARG H 1.0 1.772 3.528 3051 3051 A 71 ILE HD1% A 71 ILE H 1.0 1.884 4.190 3052 3052 B 71 ILE HD1% B 71 ILE H 1.0 1.884 4.190 3053 3053 A 71 ILE HB A 71 ILE H 1.0 1.692 3.168 3054 3054 B 71 ILE HB B 71 ILE H 1.0 1.692 3.168 3055 3055 A 71 ILE HA A 71 ILE H 1.0 1.845 3.929 3056 3056 B 71 ILE HA B 71 ILE H 1.0 1.845 3.929 3057 3057 A 71 ILE HG1x A 71 ILE H 1.0 1.510 2.532 3058 3058 B 71 ILE HG1x B 71 ILE H 1.0 1.510 2.532 3059 3059 A 21 TRP HBy A 53 PHE H 1.0 2.000 5.914 3060 3060 B 21 TRP HBy B 53 PHE H 1.0 2.000 5.914 3061 3061 A 22 VAL HGy% A 53 PHE H 1.0 1.998 5.744 3062 3062 B 22 VAL HGy% B 53 PHE H 1.0 1.998 5.744 3063 3063 A 53 PHE HA A 53 PHE H 1.0 1.789 3.613 3064 3064 B 53 PHE HA B 53 PHE H 1.0 1.789 3.613 3065 3065 A 21 TRP HA A 53 PHE H 1.0 1.992 5.474 3066 3066 B 21 TRP HA B 53 PHE H 1.0 1.992 5.474 3067 3067 A 53 PHE HBy A 53 PHE H 1.0 1.999 5.833 3068 3068 B 53 PHE HBy B 53 PHE H 1.0 1.999 5.833 3069 3069 A 57 LYS HBx A 18 VAL H 1.0 2.000 5.864 3070 3070 B 57 LYS HBx B 18 VAL H 1.0 2.000 5.864 3071 3071 A 18 VAL H A 59 ARG H 1.0 1.983 5.295 3072 3072 B 18 VAL H B 59 ARG H 1.0 1.983 5.295 3073 3073 A 17 SER HA A 18 VAL H 1.0 1.604 2.836 3074 3074 B 17 SER HA B 18 VAL H 1.0 1.604 2.836 3075 3075 A 18 VAL HGx% A 18 VAL H 1.0 1.424 2.282 3076 3076 B 18 VAL HGx% B 18 VAL H 1.0 1.424 2.282 3077 3077 A 17 SER HBx A 18 VAL H 1.0 1.883 4.181 3078 3078 B 17 SER HBx B 18 VAL H 1.0 1.883 4.181 3079 3079 A 18 VAL HB A 18 VAL H 1.0 1.765 3.491 3080 3080 B 18 VAL HB B 18 VAL H 1.0 1.765 3.491 3081 3081 A 17 SER HBy A 18 VAL H 1.0 1.993 5.531 3082 3082 B 17 SER HBy B 18 VAL H 1.0 1.993 5.531 3083 3083 A 18 VAL HA A 19 SER H 1.0 1.631 2.931 3084 3084 B 18 VAL HA B 19 SER H 1.0 1.631 2.931 3085 3085 A 56 THR HA A 19 SER H 1.0 1.976 5.152 3086 3086 B 56 THR HA B 19 SER H 1.0 1.976 5.152 3087 3087 A 19 SER HBy A 19 SER H 1.0 1.876 4.130 3088 3088 B 19 SER HBy B 19 SER H 1.0 1.876 4.130 3089 3089 A 18 VAL HB A 19 SER H 1.0 1.969 5.041 3090 3090 B 18 VAL HB B 19 SER H 1.0 1.969 5.041 3091 3091 A 71 ILE HD1% A 72 ASP H 1.0 1.955 4.845 3092 3092 B 71 ILE HD1% B 72 ASP H 1.0 1.955 4.845 3093 3093 A 72 ASP HB3 A 72 ASP H 1.0 1.828 3.828 3094 3094 B 72 ASP HB3 B 72 ASP H 1.0 1.828 3.828 3095 3095 A 71 ILE HG2% A 72 ASP H 1.0 1.720 3.288 3096 3096 B 71 ILE HG2% B 72 ASP H 1.0 1.720 3.288 3097 3097 A 71 ILE HA A 72 ASP H 1.0 1.718 3.278 3098 3098 B 71 ILE HA B 72 ASP H 1.0 1.718 3.278 3099 3099 A 104 ILE HG1y A 54 PHE H 1.0 1.960 4.900 3100 3100 B 104 ILE HG1y B 54 PHE H 1.0 1.960 4.900 3101 3101 A 21 TRP HE3 A 54 PHE H 1.0 1.981 5.251 3102 3102 B 21 TRP HE3 B 54 PHE H 1.0 1.981 5.251 3103 3103 A 54 PHE HA A 54 PHE H 1.0 1.921 4.485 3104 3104 B 54 PHE HA B 54 PHE H 1.0 1.921 4.485 3105 3105 A 21 TRP HA A 54 PHE H 1.0 1.938 4.660 3106 3106 B 21 TRP HA B 54 PHE H 1.0 1.938 4.660 3107 3107 A 26 THR HG2% A 27 THR H 1.0 1.769 3.515 3108 3108 B 26 THR HG2% B 27 THR H 1.0 1.769 3.515 3109 3109 A 25 LYS HA A 27 THR H 1.0 1.992 6.540 3110 3110 B 25 LYS HA B 27 THR H 1.0 1.992 6.540 3111 3111 A 38 VAL HB A 27 THR H 1.0 1.935 4.621 3112 3112 B 38 VAL HB B 27 THR H 1.0 1.935 4.621 3113 3113 A 26 THR HA A 27 THR H 1.0 1.768 3.508 3114 3114 B 26 THR HA B 27 THR H 1.0 1.768 3.508 3115 3115 A 27 THR HA A 27 THR H 1.0 1.745 3.397 3116 3116 B 27 THR HA B 27 THR H 1.0 1.745 3.397 3117 3117 A 37 THR HA A 27 THR H 1.0 1.986 5.362 3118 3118 B 37 THR HA B 27 THR H 1.0 1.986 5.362 3119 3119 A 57 LYS HA A 57 LYS H 1.0 1.838 3.884 3120 3120 B 57 LYS HA B 57 LYS H 1.0 1.838 3.884 3121 3121 A 57 LYS H A 18 VAL H 1.0 1.804 3.692 3122 3122 B 57 LYS H B 18 VAL H 1.0 1.804 3.692 3123 3123 A 57 LYS H A 56 THR HA 1.0 1.685 3.139 3124 3124 B 57 LYS H B 56 THR HA 1.0 1.685 3.139 3125 3125 A 18 VAL HGx% A 57 LYS H 1.0 1.604 2.834 3126 3126 B 18 VAL HGx% B 57 LYS H 1.0 1.604 2.834 3127 3127 A 57 LYS H A 19 SER H 1.0 2.000 6.100 3128 3128 B 57 LYS H B 19 SER H 1.0 2.000 6.100 3129 3129 A 57 LYS H A 57 LYS HDy 1.0 1.839 8.427 3130 3130 B 57 LYS H B 57 LYS HDy 1.0 1.839 8.427 3131 3131 A 57 LYS HGy A 57 LYS H 1.0 1.992 5.522 3132 3132 B 57 LYS HGy B 57 LYS H 1.0 1.992 5.522 3133 3133 A 57 LYS H A 19 SER HA 1.0 2.000 5.906 3134 3134 B 57 LYS H B 19 SER HA 1.0 2.000 5.906 3135 3135 A 33 GLY HAx A 32 LYS H 1.0 1.938 7.472 3136 3136 B 33 GLY HAx B 32 LYS H 1.0 1.938 7.472 3137 3137 A 32 LYS HGy A 32 LYS H 1.0 1.960 4.916 3138 3138 B 32 LYS HGy B 32 LYS H 1.0 1.960 4.916 3139 3139 A 32 LYS H A 33 GLY H 1.0 1.513 2.539 3140 3140 B 32 LYS H B 33 GLY H 1.0 1.513 2.539 3141 3141 A 31 ILE H A 32 LYS H 1.0 1.814 3.746 3142 3142 B 31 ILE H B 32 LYS H 1.0 1.814 3.746 3143 3143 A 32 LYS HA A 32 LYS H 1.0 1.815 3.751 3144 3144 B 32 LYS HA B 32 LYS H 1.0 1.815 3.751 3145 3145 A 30 ASP HA A 32 LYS H 1.0 1.990 6.562 3146 3146 B 30 ASP HA B 32 LYS H 1.0 1.990 6.562 3147 3147 A 32 LYS HB3 A 32 LYS H 1.0 1.513 2.541 3148 3148 B 32 LYS HB3 B 32 LYS H 1.0 1.513 2.541 3149 3149 A 34 LYS HGy A 32 LYS H 1.0 1.965 4.971 3150 3150 B 34 LYS HGy B 32 LYS H 1.0 1.965 4.971 3151 3151 A 33 GLY HAy A 32 LYS H 1.0 1.952 7.292 3152 3152 B 33 GLY HAy B 32 LYS H 1.0 1.952 7.292 3153 3153 A 32 LYS HD3 A 32 LYS H 1.0 1.956 4.858 3154 3154 B 32 LYS HD3 B 32 LYS H 1.0 1.956 4.858 3155 3155 A 31 ILE HD1% A 32 LYS H 1.0 1.989 6.587 3156 3156 B 31 ILE HD1% B 32 LYS H 1.0 1.989 6.587 3157 3157 A 32 LYS HGx A 32 LYS H 1.0 1.554 2.668 3158 3158 B 32 LYS HGx B 32 LYS H 1.0 1.554 2.668 3159 3159 A 34 LYS HA A 32 LYS H 1.0 1.771 8.935 3160 3160 B 34 LYS HA B 32 LYS H 1.0 1.771 8.935 3161 3161 A 31 ILE HG2% A 32 LYS H 1.0 1.760 3.470 3162 3162 B 31 ILE HG2% B 32 LYS H 1.0 1.760 3.470 3163 3163 A 34 LYS H A 32 LYS H 1.0 1.943 4.703 3164 3164 B 34 LYS H B 32 LYS H 1.0 1.943 4.703 3165 3165 A 3 THR HB A 3 THR H 1.0 2.000 6.008 3166 3166 B 3 THR HB B 3 THR H 1.0 2.000 6.008 3167 3167 A 74 LYS HBy A 74 LYS H 1.0 1.736 3.360 3168 3168 B 74 LYS HBy B 74 LYS H 1.0 1.736 3.360 3169 3169 A 75 HIS HBx A 74 LYS H 1.0 1.984 6.732 3170 3170 B 75 HIS HBx B 74 LYS H 1.0 1.984 6.732 3171 3171 A 74 LYS HBx A 74 LYS H 1.0 1.687 3.151 3172 3172 B 74 LYS HBx B 74 LYS H 1.0 1.687 3.151 3173 3173 A 74 LYS H A 75 HIS H 1.0 1.697 3.187 3174 3174 B 74 LYS H B 75 HIS H 1.0 1.697 3.187 3175 3175 A 22 VAL HGy% A 20 VAL H 1.0 2.000 5.990 3176 3176 B 22 VAL HGy% B 20 VAL H 1.0 2.000 5.990 3177 3177 A 20 VAL H A 20 VAL HGy% 1.0 1.623 2.903 3178 3178 B 20 VAL H B 20 VAL HGy% 1.0 1.623 2.903 3179 3179 A 54 PHE HA A 20 VAL H 1.0 1.967 7.071 3180 3180 B 54 PHE HA B 20 VAL H 1.0 1.967 7.071 3181 3181 A 20 VAL H A 20 VAL HB 1.0 1.802 3.680 3182 3182 B 20 VAL H B 20 VAL HB 1.0 1.802 3.680 3183 3183 A 20 VAL H A 19 SER HA 1.0 1.695 3.181 3184 3184 B 20 VAL H B 19 SER HA 1.0 1.695 3.181 3185 3185 A 20 VAL H A 55 GLU HBx 1.0 1.903 7.851 3186 3186 B 20 VAL H B 55 GLU HBx 1.0 1.903 7.851 3187 3187 A 100 ARG HGy A 100 ARG H 1.0 1.991 5.477 3188 3188 B 100 ARG HGy B 100 ARG H 1.0 1.991 5.477 3189 3189 A 100 ARG HGx A 100 ARG H 1.0 1.664 3.056 3190 3190 B 100 ARG HGx B 100 ARG H 1.0 1.664 3.056 3191 3191 A 78 SER HA A 78 SER H 1.0 1.898 4.300 3192 3192 B 78 SER HA B 78 SER H 1.0 1.898 4.300 3193 3193 A 84 HIS H A 84 HIS HBx 1.0 1.927 4.547 3194 3194 B 84 HIS H B 84 HIS HBx 1.0 1.927 4.547 3195 3195 A 84 HIS H A 83 THR HG2% 1.0 1.695 3.177 3196 3196 B 84 HIS H B 83 THR HG2% 1.0 1.695 3.177 3197 3197 A 84 HIS H A 84 HIS HBy 1.0 1.999 5.895 3198 3198 B 84 HIS H B 84 HIS HBy 1.0 1.999 5.895 3199 3199 A 84 HIS H A 84 HIS HA 1.0 1.915 4.433 3200 3200 B 84 HIS H B 84 HIS HA 1.0 1.915 4.433 3201 3201 A 84 HIS H A 85 THR H 1.0 1.982 6.786 3202 3202 B 84 HIS H B 85 THR H 1.0 1.982 6.786 3203 3203 A 10 GLY HAx A 10 GLY H 1.0 1.991 5.463 3204 3204 B 10 GLY HAx B 10 GLY H 1.0 1.991 5.463 3205 3205 A 14 VAL HGy% A 110 CYS H 1.0 1.982 5.266 3206 3206 B 14 VAL HGy% B 110 CYS H 1.0 1.982 5.266 3207 3207 A 14 VAL HGx% A 110 CYS H 1.0 0.000 6.000 3208 3208 B 14 VAL HGx% B 110 CYS H 1.0 0.000 6.000 3209 3209 A 110 CYS HBx A 110 CYS H 1.0 1.921 4.489 3210 3210 B 110 CYS HBx B 110 CYS H 1.0 1.921 4.489 3211 3211 A 109 VAL HGx% A 110 CYS H 1.0 1.993 5.531 3212 3212 B 109 VAL HGx% B 110 CYS H 1.0 1.993 5.531 3213 3213 A 110 CYS H A 110 CYS HA 1.0 1.969 5.037 3214 3214 B 110 CYS H B 110 CYS HA 1.0 1.969 5.037 3215 3215 A 109 VAL HB A 110 CYS H 1.0 1.888 4.220 3216 3216 B 109 VAL HB B 110 CYS H 1.0 1.888 4.220 3217 3217 A 109 VAL HA A 110 CYS H 1.0 1.801 3.677 3218 3218 B 109 VAL HA B 110 CYS H 1.0 1.801 3.677 3219 3219 A 115 LYS H A 113 SER H 1.0 1.995 6.375 3220 3220 B 115 LYS H B 113 SER H 1.0 1.995 6.375 3221 3221 A 115 LYS HA A 115 LYS H 1.0 1.673 3.091 3222 3222 B 115 LYS HA B 115 LYS H 1.0 1.673 3.091 3223 3223 A 112 LEU HBx A 77 ASN H 1.0 1.993 6.469 3224 3224 B 112 LEU HBx B 77 ASN H 1.0 1.993 6.469 3225 3225 A 77 ASN H A 77 ASN HBy 1.0 1.846 3.932 3226 3226 B 77 ASN H B 77 ASN HBy 1.0 1.846 3.932 3227 3227 A 77 ASN H A 77 ASN HA 1.0 1.865 4.061 3228 3228 B 77 ASN H B 77 ASN HA 1.0 1.865 4.061 3229 3229 A 76 TRP HBy A 77 ASN H 1.0 1.998 6.258 3230 3230 B 76 TRP HBy B 77 ASN H 1.0 1.998 6.258 3231 3231 A 77 ASN H A 77 ASN HBx 1.0 1.820 3.780 3232 3232 B 77 ASN H B 77 ASN HBx 1.0 1.820 3.780 3233 3233 A 116 ALA HA A 116 ALA H 1.0 1.957 4.879 3234 3234 B 116 ALA HA B 116 ALA H 1.0 1.957 4.879 3235 3235 A 99 TRP HD1 A 99 TRP HE1 1.0 1.872 4.106 3236 3236 B 99 TRP HD1 B 99 TRP HE1 1.0 1.872 4.106 3237 3237 A 99 TRP HZ2 A 99 TRP HE1 1.0 1.859 4.013 3238 3238 B 99 TRP HZ2 B 99 TRP HE1 1.0 1.859 4.013 3239 3239 A 26 THR HB A 26 THR H 1.0 1.814 3.744 3240 3240 B 26 THR HB B 26 THR H 1.0 1.814 3.744 3241 3241 A 26 THR HA A 26 THR H 1.0 1.756 3.448 3242 3242 B 26 THR HA B 26 THR H 1.0 1.756 3.448 3243 3243 A 68 CYS HBx A 68 CYS H 1.0 1.997 6.321 3244 3244 B 68 CYS HBx B 68 CYS H 1.0 1.997 6.321 3245 3245 A 67 GLY HAx A 68 CYS H 1.0 1.723 3.297 3246 3246 B 67 GLY HAx B 68 CYS H 1.0 1.723 3.297 3247 3247 A 68 CYS HA A 68 CYS H 1.0 1.917 4.453 3248 3248 B 68 CYS HA B 68 CYS H 1.0 1.917 4.453 3249 3249 A 68 CYS H A 68 CYS HBy 1.0 1.883 4.179 3250 3250 B 68 CYS H B 68 CYS HBy 1.0 1.883 4.179 3251 3251 A 83 THR HG2% A 83 THR H 1.0 1.807 3.711 3252 3252 B 83 THR HG2% B 83 THR H 1.0 1.807 3.711 3253 3253 A 82 THR HG2% A 83 THR H 1.0 1.950 4.790 3254 3254 B 82 THR HG2% B 83 THR H 1.0 1.950 4.790 3255 3255 A 83 THR HA A 83 THR H 1.0 1.925 4.517 3256 3256 B 83 THR HA B 83 THR H 1.0 1.925 4.517 3257 3257 A 82 THR HA A 83 THR H 1.0 1.744 3.394 3258 3258 B 82 THR HA B 83 THR H 1.0 1.744 3.394 3259 3259 A 79 TYR HBy A 79 TYR H 1.0 1.996 5.644 3260 3260 B 79 TYR HBy B 79 TYR H 1.0 1.996 5.644 3261 3261 A 67 GLY HAx A 79 TYR H 1.0 1.897 7.921 3262 3262 B 67 GLY HAx B 79 TYR H 1.0 1.897 7.921 3263 3263 A 77 ASN HA A 79 TYR H 1.0 1.656 9.666 3264 3264 B 77 ASN HA B 79 TYR H 1.0 1.656 9.666 3265 3265 A 112 LEU HDy% A 79 TYR H 1.0 2.000 6.038 3266 3266 B 112 LEU HDy% B 79 TYR H 1.0 2.000 6.038 3267 3267 A 111 VAL HGy% A 79 TYR H 1.0 1.774 3.536 3268 3268 B 111 VAL HGy% B 79 TYR H 1.0 1.774 3.536 3269 3269 A 78 SER HA A 79 TYR H 1.0 1.707 3.231 3270 3270 B 78 SER HA B 79 TYR H 1.0 1.707 3.231 3271 3271 A 79 TYR H A 111 VAL H 1.0 1.851 3.963 3272 3272 B 79 TYR H B 111 VAL H 1.0 1.851 3.963 3273 3273 A 80 CYS HA A 79 TYR H 1.0 1.994 5.572 3274 3274 B 80 CYS HA B 79 TYR H 1.0 1.994 5.572 3275 3275 A 7 PHE HA A 7 PHE H 1.0 1.709 3.239 3276 3276 B 7 PHE HA B 7 PHE H 1.0 1.709 3.239 3277 3277 A 35 GLU HGy A 35 GLU H 1.0 1.978 6.850 3278 3278 B 35 GLU HGy B 35 GLU H 1.0 1.978 6.850 3279 3279 A 29 THR HG2% A 35 GLU H 1.0 1.996 5.662 3280 3280 B 29 THR HG2% B 35 GLU H 1.0 1.996 5.662 3281 3281 A 35 GLU HB3 A 35 GLU H 1.0 1.512 2.534 3282 3282 B 35 GLU HB3 B 35 GLU H 1.0 1.512 2.534 3283 3283 A 34 LYS HA A 35 GLU H 1.0 1.538 2.618 3284 3284 B 34 LYS HA B 35 GLU H 1.0 1.538 2.618 3285 3285 A 118 ARG HGx A 118 ARG H 1.0 1.978 5.184 3286 3286 B 118 ARG HGx B 118 ARG H 1.0 1.978 5.184 3287 3287 A 117 THR HA A 118 ARG H 1.0 1.693 3.175 3288 3288 B 117 THR HA B 118 ARG H 1.0 1.693 3.175 3289 3289 A 108 CYS HA A 109 VAL H 1.0 1.656 3.024 3290 3290 B 108 CYS HA B 109 VAL H 1.0 1.656 3.024 3291 3291 A 81 THR H A 109 VAL H 1.0 1.810 3.720 3292 3292 B 81 THR H B 109 VAL H 1.0 1.810 3.720 3293 3293 A 109 VAL HB A 109 VAL H 1.0 1.952 4.806 3294 3294 B 109 VAL HB B 109 VAL H 1.0 1.952 4.806 3295 3295 A 83 THR H A 109 VAL H 1.0 1.989 6.583 3296 3296 B 83 THR H B 109 VAL H 1.0 1.989 6.583 3297 3297 A 80 CYS HBx A 109 VAL H 1.0 1.975 5.139 3298 3298 B 80 CYS HBx B 109 VAL H 1.0 1.975 5.139 3299 3299 A 108 CYS HBx A 109 VAL H 1.0 1.941 7.433 3300 3300 B 108 CYS HBx B 109 VAL H 1.0 1.941 7.433 3301 3301 A 109 VAL HGy% A 109 VAL H 1.0 1.627 2.921 3302 3302 B 109 VAL HGy% B 109 VAL H 1.0 1.627 2.921 3303 3303 A 81 THR HA A 109 VAL H 1.0 1.983 6.761 3304 3304 B 81 THR HA B 109 VAL H 1.0 1.983 6.761 3305 3305 A 103 ARG HA A 87 VAL H 1.0 1.992 5.480 3306 3306 B 103 ARG HA B 87 VAL H 1.0 1.992 5.480 3307 3307 A 86 PHE HA A 87 VAL H 1.0 1.737 3.361 3308 3308 B 86 PHE HA B 87 VAL H 1.0 1.737 3.361 3309 3309 A 87 VAL HA A 87 VAL H 1.0 1.927 4.551 3310 3310 B 87 VAL HA B 87 VAL H 1.0 1.927 4.551 3311 3311 A 87 VAL HB A 87 VAL H 1.0 1.920 4.486 3312 3312 B 87 VAL HB B 87 VAL H 1.0 1.920 4.486 3313 3313 A 101 PHE HBy A 87 VAL H 1.0 1.921 7.679 3314 3314 B 101 PHE HBy B 87 VAL H 1.0 1.921 7.679 3315 3315 A 86 PHE HBy A 87 VAL H 1.0 1.967 5.007 3316 3316 B 86 PHE HBy B 87 VAL H 1.0 1.967 5.007 3317 3317 A 87 VAL H A 102 ILE H 1.0 1.816 3.754 3318 3318 B 87 VAL H B 102 ILE H 1.0 1.816 3.754 3319 3319 A 112 LEU HBx A 112 LEU H 1.0 2.000 6.066 3320 3320 B 112 LEU HBx B 112 LEU H 1.0 2.000 6.066 3321 3321 A 112 LEU H A 111 VAL HA 1.0 1.830 3.842 3322 3322 B 112 LEU H B 111 VAL HA 1.0 1.830 3.842 3323 3323 A 112 LEU HDx% A 112 LEU H 1.0 1.996 5.656 3324 3324 B 112 LEU HDx% B 112 LEU H 1.0 1.996 5.656 3325 3325 A 112 LEU HG A 112 LEU H 1.0 1.853 3.975 3326 3326 B 112 LEU HG B 112 LEU H 1.0 1.853 3.975 3327 3327 A 38 VAL HGy% A 28 ALA H 1.0 1.705 3.221 3328 3328 B 38 VAL HGy% B 28 ALA H 1.0 1.705 3.221 3329 3329 A 36 VAL HGx% A 28 ALA H 1.0 0.000 6.000 3330 3330 B 36 VAL HGx% B 28 ALA H 1.0 0.000 6.000 3331 3331 A 28 ALA H A 36 VAL H 1.0 1.818 3.772 3332 3332 B 28 ALA H B 36 VAL H 1.0 1.818 3.772 3333 3333 A 27 THR HA A 28 ALA H 1.0 1.573 2.729 3334 3334 B 27 THR HA B 28 ALA H 1.0 1.573 2.729 3335 3335 A 12 PHE HBy A 13 SER H 1.0 1.946 4.736 3336 3336 B 12 PHE HBy B 13 SER H 1.0 1.946 4.736 3337 3337 A 13 SER HA A 13 SER H 1.0 1.792 3.632 3338 3338 B 13 SER HA B 13 SER H 1.0 1.792 3.632 3339 3339 A 12 PHE HBx A 13 SER H 1.0 2.000 6.042 3340 3340 B 12 PHE HBx B 13 SER H 1.0 2.000 6.042 3341 3341 A 86 PHE HBx A 86 PHE H 1.0 1.972 5.074 3342 3342 B 86 PHE HBx B 86 PHE H 1.0 1.972 5.074 3343 3343 A 86 PHE HA A 86 PHE H 1.0 1.902 4.332 3344 3344 B 86 PHE HA B 86 PHE H 1.0 1.902 4.332 3345 3345 A 87 VAL HGx% A 86 PHE H 1.0 1.943 4.713 3346 3346 B 87 VAL HGx% B 86 PHE H 1.0 1.943 4.713 3347 3347 A 85 THR HG2% A 86 PHE H 1.0 1.798 3.658 3348 3348 B 85 THR HG2% B 86 PHE H 1.0 1.798 3.658 3349 3349 A 86 PHE HBy A 86 PHE H 1.0 2.000 6.008 3350 3350 B 86 PHE HBy B 86 PHE H 1.0 2.000 6.008 3351 3351 A 85 THR HA A 86 PHE H 1.0 1.925 4.523 3352 3352 B 85 THR HA B 86 PHE H 1.0 1.925 4.523 3353 3353 A 36 VAL HB A 36 VAL H 1.0 1.872 4.100 3354 3354 B 36 VAL HB B 36 VAL H 1.0 1.872 4.100 3355 3355 A 35 GLU HGx A 36 VAL H 1.0 1.972 5.076 3356 3356 B 35 GLU HGx B 36 VAL H 1.0 1.972 5.076 3357 3357 A 28 ALA HB% A 36 VAL H 1.0 1.947 4.741 3358 3358 B 28 ALA HB% B 36 VAL H 1.0 1.947 4.741 3359 3359 A 29 THR HA A 36 VAL H 1.0 1.947 4.751 3360 3360 B 29 THR HA B 36 VAL H 1.0 1.947 4.751 3361 3361 A 35 GLU HGy A 36 VAL H 1.0 1.982 5.252 3362 3362 B 35 GLU HGy B 36 VAL H 1.0 1.982 5.252 3363 3363 A 36 VAL HGx% A 36 VAL H 1.0 1.704 3.218 3364 3364 B 36 VAL HGx% B 36 VAL H 1.0 1.704 3.218 3365 3365 A 36 VAL HA A 36 VAL H 1.0 1.652 3.010 3366 3366 B 36 VAL HA B 36 VAL H 1.0 1.652 3.010 3367 3367 A 36 VAL HGy% A 36 VAL H 1.0 1.667 3.067 3368 3368 B 36 VAL HGy% B 36 VAL H 1.0 1.667 3.067 3369 3369 A 35 GLU HB3 A 36 VAL H 1.0 2.000 6.054 3370 3370 B 35 GLU HB3 B 36 VAL H 1.0 2.000 6.054 3371 3371 A 22 VAL HGy% A 25 LYS H 1.0 1.964 4.974 3372 3372 B 22 VAL HGy% B 25 LYS H 1.0 1.964 4.974 3373 3373 A 24 ASP HBx A 25 LYS H 1.0 1.999 6.167 3374 3374 B 24 ASP HBx B 25 LYS H 1.0 1.999 6.167 3375 3375 A 22 VAL HGx% A 25 LYS H 1.0 1.612 2.862 3376 3376 B 22 VAL HGx% B 25 LYS H 1.0 1.612 2.862 3377 3377 A 25 LYS HA A 25 LYS H 1.0 1.831 3.847 3378 3378 B 25 LYS HA B 25 LYS H 1.0 1.831 3.847 3379 3379 A 24 ASP HA A 25 LYS H 1.0 1.823 3.797 3380 3380 B 24 ASP HA B 25 LYS H 1.0 1.823 3.797 3381 3381 A 25 LYS H A 24 ASP H 1.0 1.689 3.159 3382 3382 B 25 LYS H B 24 ASP H 1.0 1.689 3.159 3383 3383 A 25 LYS HBy A 25 LYS H 1.0 1.613 2.867 3384 3384 B 25 LYS HBy B 25 LYS H 1.0 1.613 2.867 3385 3385 A 98 ALA HB% A 98 ALA H 1.0 1.612 2.866 3386 3386 B 98 ALA HB% B 98 ALA H 1.0 1.612 2.866 3387 3387 A 97 ALA HB% A 98 ALA H 1.0 1.727 3.317 3388 3388 B 97 ALA HB% B 98 ALA H 1.0 1.727 3.317 3389 3389 A 98 ALA HA A 98 ALA H 1.0 1.779 3.563 3390 3390 B 98 ALA HA B 98 ALA H 1.0 1.779 3.563 3391 3391 A 92 THR HG2% A 98 ALA H 1.0 1.972 6.976 3392 3392 B 92 THR HG2% B 98 ALA H 1.0 1.972 6.976 3393 3393 A 97 ALA HA A 98 ALA H 1.0 1.837 3.881 3394 3394 B 97 ALA HA B 98 ALA H 1.0 1.837 3.881 3395 3395 A 92 THR HA A 98 ALA H 1.0 1.990 5.432 3396 3396 B 92 THR HA B 98 ALA H 1.0 1.990 5.432 3397 3397 A 88 LYS HGx A 88 LYS H 1.0 1.726 3.314 3398 3398 B 88 LYS HGx B 88 LYS H 1.0 1.726 3.314 3399 3399 A 88 LYS H A 88 LYS HG3 1.0 1.934 4.614 3400 3400 B 88 LYS H B 88 LYS HG3 1.0 1.934 4.614 3401 3401 A 88 LYS H A 87 VAL HA 1.0 1.784 3.584 3402 3402 B 88 LYS H B 87 VAL HA 1.0 1.784 3.584 3403 3403 A 88 LYS H A 87 VAL HB 1.0 1.919 4.469 3404 3404 B 88 LYS H B 87 VAL HB 1.0 1.919 4.469 3405 3405 A 88 LYS H A 88 LYS HB3 1.0 1.917 4.449 3406 3406 B 88 LYS H B 88 LYS HB3 1.0 1.917 4.449 3407 3407 A 109 VAL HGy% A 82 THR H 1.0 1.997 5.673 3408 3408 B 109 VAL HGy% B 82 THR H 1.0 1.997 5.673 3409 3409 A 82 THR HB A 82 THR H 1.0 1.888 4.216 3410 3410 B 82 THR HB B 82 THR H 1.0 1.888 4.216 3411 3411 A 47 SER H A 46 ASN H 1.0 1.932 4.588 3412 3412 B 47 SER H B 46 ASN H 1.0 1.932 4.588 3413 3413 A 23 GLY HAy A 24 ASP H 1.0 1.932 4.596 3414 3414 B 23 GLY HAy B 24 ASP H 1.0 1.932 4.596 3415 3415 A 23 GLY HAx A 24 ASP H 1.0 2.000 6.080 3416 3416 B 23 GLY HAx B 24 ASP H 1.0 2.000 6.080 3417 3417 A 24 ASP HBx A 24 ASP H 1.0 1.892 4.250 3418 3418 B 24 ASP HBx B 24 ASP H 1.0 1.892 4.250 3419 3419 A 53 PHE H A 24 ASP H 1.0 1.999 6.081 3420 3420 B 53 PHE H B 24 ASP H 1.0 1.999 6.081 3421 3421 A 22 VAL HGx% A 24 ASP H 1.0 1.527 2.583 3422 3422 B 22 VAL HGx% B 24 ASP H 1.0 1.527 2.583 3423 3423 A 24 ASP HA A 24 ASP H 1.0 1.794 3.642 3424 3424 B 24 ASP HA B 24 ASP H 1.0 1.794 3.642 3425 3425 A 24 ASP HBy A 24 ASP H 1.0 1.991 5.491 3426 3426 B 24 ASP HBy B 24 ASP H 1.0 1.991 5.491 3427 3427 A 44 ILE HB A 49 PHE H 1.0 0.000 6.000 3428 3428 B 44 ILE HB B 49 PHE H 1.0 0.000 6.000 3429 3429 A 4 HIS HA A 4 HIS H 1.0 1.877 4.139 3430 3430 B 4 HIS HA B 4 HIS H 1.0 1.877 4.139 3431 3431 A 97 ALA HB% A 97 ALA H 1.0 1.834 3.860 3432 3432 B 97 ALA HB% B 97 ALA H 1.0 1.834 3.860 3433 3433 A 97 ALA HA A 97 ALA H 1.0 1.894 4.266 3434 3434 B 97 ALA HA B 97 ALA H 1.0 1.894 4.266 3435 3435 A 15 CYS HA A 15 CYS H 1.0 1.816 3.758 3436 3436 B 15 CYS HA B 15 CYS H 1.0 1.816 3.758 3437 3437 A 14 VAL H A 15 CYS H 1.0 1.772 3.526 3438 3438 B 14 VAL H B 15 CYS H 1.0 1.772 3.526 3439 3439 A 14 VAL HGy% A 15 CYS H 1.0 1.715 3.269 3440 3440 B 14 VAL HGy% B 15 CYS H 1.0 1.715 3.269 3441 3441 A 14 VAL HA A 15 CYS H 1.0 1.974 5.102 3442 3442 B 14 VAL HA B 15 CYS H 1.0 1.974 5.102 3443 3443 A 14 VAL HGx% A 15 CYS H 1.0 1.900 4.306 3444 3444 B 14 VAL HGx% B 15 CYS H 1.0 1.900 4.306 3445 3445 A 110 CYS HBx A 15 CYS H 1.0 2.000 6.016 3446 3446 B 110 CYS HBx B 15 CYS H 1.0 2.000 6.016 3447 3447 A 68 CYS HBx A 15 CYS H 1.0 0.000 6.000 3448 3448 B 68 CYS HBx B 15 CYS H 1.0 0.000 6.000 3449 3449 A 15 CYS HBy A 15 CYS H 1.0 1.899 4.299 3450 3450 B 15 CYS HBy B 15 CYS H 1.0 1.899 4.299 3451 3451 A 15 CYS HBx A 15 CYS H 1.0 1.860 4.020 3452 3452 B 15 CYS HBx B 15 CYS H 1.0 1.860 4.020 3453 3453 A 13 SER HBx A 15 CYS H 1.0 1.960 4.908 3454 3454 B 13 SER HBx B 15 CYS H 1.0 1.960 4.908 3455 3455 A 57 LYS HBx A 58 CYS H 1.0 1.655 3.023 3456 3456 B 57 LYS HBx B 58 CYS H 1.0 1.655 3.023 3457 3457 A 57 LYS HA A 58 CYS H 1.0 1.554 2.668 3458 3458 B 57 LYS HA B 58 CYS H 1.0 1.554 2.668 3459 3459 A 57 LYS HBy A 58 CYS H 1.0 1.942 4.690 3460 3460 B 57 LYS HBy B 58 CYS H 1.0 1.942 4.690 3461 3461 A 57 LYS H A 58 CYS H 1.0 1.991 6.553 3462 3462 B 57 LYS H B 58 CYS H 1.0 1.991 6.553 3463 3463 A 57 LYS HGy A 58 CYS H 1.0 1.860 4.024 3464 3464 B 57 LYS HGy B 58 CYS H 1.0 1.860 4.024 3465 3465 A 58 CYS HA A 58 CYS H 1.0 1.670 3.080 3466 3466 B 58 CYS HA B 58 CYS H 1.0 1.670 3.080 3467 3467 A 108 CYS HBx A 58 CYS H 1.0 1.867 4.071 3468 3468 B 108 CYS HBx B 58 CYS H 1.0 1.867 4.071 3469 3469 A 58 CYS HBx A 58 CYS H 1.0 1.854 3.986 3470 3470 B 58 CYS HBx B 58 CYS H 1.0 1.854 3.986 3471 3471 A 96 GLN H A 96 GLN HA 1.0 1.822 3.794 3472 3472 B 96 GLN H B 96 GLN HA 1.0 1.822 3.794 3473 3473 A 96 GLN H A 96 GLN HG3 1.0 1.998 5.724 3474 3474 B 96 GLN H B 96 GLN HG3 1.0 1.998 5.724 3475 3475 A 51 GLN HE21 A 51 GLN HE22 1.0 1.659 3.039 3476 3476 B 51 GLN HE21 B 51 GLN HE22 1.0 1.659 3.039 3477 3477 A 107 ALA HA A 107 ALA H 1.0 1.787 3.603 3478 3478 B 107 ALA HA B 107 ALA H 1.0 1.787 3.603 3479 3479 A 56 THR H A 107 ALA H 1.0 1.998 6.258 3480 3480 B 56 THR H B 107 ALA H 1.0 1.998 6.258 3481 3481 A 108 CYS H A 107 ALA H 1.0 1.993 5.565 3482 3482 B 108 CYS H B 107 ALA H 1.0 1.993 5.565 3483 3483 A 106 THR H A 107 ALA H 1.0 1.626 2.916 3484 3484 B 106 THR H B 107 ALA H 1.0 1.626 2.916 3485 3485 A 83 THR H A 107 ALA H 1.0 1.842 3.908 3486 3486 B 83 THR H B 107 ALA H 1.0 1.842 3.908 3487 3487 A 107 ALA HB% A 107 ALA H 1.0 1.548 2.648 3488 3488 B 107 ALA HB% B 107 ALA H 1.0 1.548 2.648 3489 3489 A 56 THR HG2% A 107 ALA H 1.0 1.962 4.930 3490 3490 B 56 THR HG2% B 107 ALA H 1.0 1.962 4.930 3491 3491 A 106 THR HA A 107 ALA H 1.0 1.946 4.734 3492 3492 B 106 THR HA B 107 ALA H 1.0 1.946 4.734 3493 3493 A 84 HIS HA A 107 ALA H 1.0 1.901 7.879 3494 3494 B 84 HIS HA B 107 ALA H 1.0 1.901 7.879 3495 3495 A 90 LEU HA A 90 LEU H 1.0 1.767 3.505 3496 3496 B 90 LEU HA B 90 LEU H 1.0 1.767 3.505 3497 3497 A 111 VAL HA A 111 VAL H 1.0 1.915 4.433 3498 3498 B 111 VAL HA B 111 VAL H 1.0 1.915 4.433 3499 3499 A 110 CYS HA A 111 VAL H 1.0 1.791 3.621 3500 3500 B 110 CYS HA B 111 VAL H 1.0 1.791 3.621 3501 3501 A 79 TYR HA A 111 VAL H 1.0 2.000 5.972 3502 3502 B 79 TYR HA B 111 VAL H 1.0 2.000 5.972 3503 3503 A 111 VAL HGy% A 111 VAL H 1.0 1.772 3.528 3504 3504 B 111 VAL HGy% B 111 VAL H 1.0 1.772 3.528 3505 3505 A 111 VAL HGx% A 111 VAL H 1.0 1.712 3.254 3506 3506 B 111 VAL HGx% B 111 VAL H 1.0 1.712 3.254 3507 3507 A 109 VAL HGy% A 111 VAL H 1.0 1.869 4.083 3508 3508 B 109 VAL HGy% B 111 VAL H 1.0 1.869 4.083 3509 3509 A 40 ALA HA A 41 GLU H 1.0 1.860 4.022 3510 3510 B 40 ALA HA B 41 GLU H 1.0 1.860 4.022 3511 3511 A 42 VAL HGx% A 41 GLU H 1.0 1.942 4.698 3512 3512 B 42 VAL HGx% B 41 GLU H 1.0 1.942 4.698 3513 3513 A 39 LEU HBx A 41 GLU H 1.0 1.835 3.865 3514 3514 B 39 LEU HBx B 41 GLU H 1.0 1.835 3.865 3515 3515 A 41 GLU HBx A 41 GLU H 1.0 1.911 4.399 3516 3516 B 41 GLU HBx B 41 GLU H 1.0 1.911 4.399 3517 3517 A 41 GLU HA A 41 GLU H 1.0 1.861 4.031 3518 3518 B 41 GLU HA B 41 GLU H 1.0 1.861 4.031 3519 3519 A 42 VAL H A 41 GLU H 1.0 1.994 5.542 3520 3520 B 42 VAL H B 41 GLU H 1.0 1.994 5.542 3521 3521 A 41 GLU HBy A 41 GLU H 1.0 1.741 3.381 3522 3522 B 41 GLU HBy B 41 GLU H 1.0 1.741 3.381 3523 3523 A 42 VAL H A 42 VAL HA 1.0 1.826 3.814 3524 3524 B 42 VAL H B 42 VAL HA 1.0 1.826 3.814 3525 3525 A 42 VAL H A 42 VAL HB 1.0 1.925 4.519 3526 3526 B 42 VAL H B 42 VAL HB 1.0 1.925 4.519 3527 3527 A 49 PHE HBx A 42 VAL H 1.0 1.846 8.376 3528 3528 B 49 PHE HBx B 42 VAL H 1.0 1.846 8.376 3529 3529 A 42 VAL H A 41 GLU HA 1.0 1.808 3.712 3530 3530 B 42 VAL H B 41 GLU HA 1.0 1.808 3.712 3531 3531 A 42 VAL H A 49 PHE H 1.0 1.898 4.296 3532 3532 B 42 VAL H B 49 PHE H 1.0 1.898 4.296 3533 3533 A 42 VAL H A 41 GLU HBy 1.0 2.000 5.944 3534 3534 B 42 VAL H B 41 GLU HBy 1.0 2.000 5.944 3535 3535 A 11 GLU HBx A 11 GLU H 1.0 2.000 5.910 3536 3536 B 11 GLU HBx B 11 GLU H 1.0 2.000 5.910 3537 3537 A 104 ILE HG1y A 104 ILE H 1.0 1.809 3.719 3538 3538 B 104 ILE HG1y B 104 ILE H 1.0 1.809 3.719 3539 3539 A 104 ILE HG1x A 104 ILE H 1.0 1.626 2.912 3540 3540 B 104 ILE HG1x B 104 ILE H 1.0 1.626 2.912 3541 3541 A 104 ILE HG2% A 104 ILE H 1.0 1.831 3.847 3542 3542 B 104 ILE HG2% B 104 ILE H 1.0 1.831 3.847 3543 3543 A 104 ILE HD1% A 104 ILE H 1.0 1.999 5.883 3544 3544 B 104 ILE HD1% B 104 ILE H 1.0 1.999 5.883 3545 3545 A 40 ALA H A 40 ALA HA 1.0 1.795 3.647 3546 3546 B 40 ALA H B 40 ALA HA 1.0 1.795 3.647 3547 3547 A 41 GLU HG3 A 40 ALA H 1.0 1.937 4.639 3548 3548 B 41 GLU HG3 B 40 ALA H 1.0 1.937 4.639 3549 3549 A 41 GLU HBy A 40 ALA H 1.0 1.995 5.617 3550 3550 B 41 GLU HBy B 40 ALA H 1.0 1.995 5.617 3551 3551 A 39 LEU H A 38 VAL HGy% 1.0 1.995 5.589 3552 3552 B 39 LEU H B 38 VAL HGy% 1.0 1.995 5.589 3553 3553 A 39 LEU HG A 39 LEU H 1.0 1.747 3.407 3554 3554 B 39 LEU HG B 39 LEU H 1.0 1.747 3.407 3555 3555 A 39 LEU H A 39 LEU HA 1.0 1.950 4.790 3556 3556 B 39 LEU H B 39 LEU HA 1.0 1.950 4.790 3557 3557 A 39 LEU H A 39 LEU HBx 1.0 1.985 5.315 3558 3558 B 39 LEU H B 39 LEU HBx 1.0 1.985 5.315 3559 3559 A 39 LEU HBy A 39 LEU H 1.0 1.833 3.851 3560 3560 B 39 LEU HBy B 39 LEU H 1.0 1.833 3.851 3561 3561 A 39 LEU H A 38 VAL HA 1.0 1.804 3.692 3562 3562 B 39 LEU H B 38 VAL HA 1.0 1.804 3.692 3563 3563 A 39 LEU H A 39 LEU HDy% 1.0 1.942 4.692 3564 3564 B 39 LEU H B 39 LEU HDy% 1.0 1.942 4.692 3565 3565 A 74 LYS HBy A 75 HIS H 1.0 1.986 5.342 3566 3566 B 74 LYS HBy B 75 HIS H 1.0 1.986 5.342 3567 3567 A 73 SER H A 75 HIS H 1.0 2.000 6.014 3568 3568 B 73 SER H B 75 HIS H 1.0 2.000 6.014 3569 3569 A 76 TRP H A 75 HIS H 1.0 1.584 2.768 3570 3570 B 76 TRP H B 75 HIS H 1.0 1.584 2.768 3571 3571 A 115 LYS HBy A 75 HIS H 1.0 1.683 9.503 3572 3572 B 115 LYS HBy B 75 HIS H 1.0 1.683 9.503 3573 3573 A 73 SER HA A 75 HIS H 1.0 1.989 6.615 3574 3574 B 73 SER HA B 75 HIS H 1.0 1.989 6.615 3575 3575 A 75 HIS HBy A 75 HIS H 1.0 1.933 4.601 3576 3576 B 75 HIS HBy B 75 HIS H 1.0 1.933 4.601 3577 3577 A 74 LYS HGx A 75 HIS H 1.0 1.954 7.256 3578 3578 B 74 LYS HGx B 75 HIS H 1.0 1.954 7.256 3579 3579 A 75 HIS HBx A 75 HIS H 1.0 1.767 3.503 3580 3580 B 75 HIS HBx B 75 HIS H 1.0 1.767 3.503 3581 3581 A 74 LYS HBx A 75 HIS H 1.0 1.758 3.460 3582 3582 B 74 LYS HBx B 75 HIS H 1.0 1.758 3.460 3583 3583 A 74 LYS HGy A 75 HIS H 1.0 2.000 6.010 3584 3584 B 74 LYS HGy B 75 HIS H 1.0 2.000 6.010 3585 3585 A 75 HIS HA A 75 HIS H 1.0 1.862 4.034 3586 3586 B 75 HIS HA B 75 HIS H 1.0 1.862 4.034 3587 3587 A 74 LYS HA A 75 HIS H 1.0 1.934 4.618 3588 3588 B 74 LYS HA B 75 HIS H 1.0 1.934 4.618 3589 3589 A 86 PHE HBx A 102 ILE H 1.0 1.908 7.804 3590 3590 B 86 PHE HBx B 102 ILE H 1.0 1.908 7.804 3591 3591 A 102 ILE HG1y A 102 ILE H 1.0 1.684 3.136 3592 3592 B 102 ILE HG1y B 102 ILE H 1.0 1.684 3.136 3593 3593 A 102 ILE HB A 102 ILE H 1.0 1.981 5.229 3594 3594 B 102 ILE HB B 102 ILE H 1.0 1.981 5.229 3595 3595 A 102 ILE HG2% A 102 ILE H 1.0 1.835 3.869 3596 3596 B 102 ILE HG2% B 102 ILE H 1.0 1.835 3.869 3597 3597 A 87 VAL HB A 102 ILE H 1.0 1.997 5.721 3598 3598 B 87 VAL HB B 102 ILE H 1.0 1.997 5.721 3599 3599 A 88 LYS H A 102 ILE H 1.0 1.976 6.906 3600 3600 B 88 LYS H B 102 ILE H 1.0 1.976 6.906 3601 3601 A 101 PHE HBy A 102 ILE H 1.0 1.996 6.362 3602 3602 B 101 PHE HBy B 102 ILE H 1.0 1.996 6.362 3603 3603 A 102 ILE HG1x A 102 ILE H 1.0 1.874 4.116 3604 3604 B 102 ILE HG1x B 102 ILE H 1.0 1.874 4.116 3605 3605 A 102 ILE HD1% A 102 ILE H 1.0 1.999 5.847 3606 3606 B 102 ILE HD1% B 102 ILE H 1.0 1.999 5.847 3607 3607 A 45 ASN HA A 45 ASN HD22 1.0 1.733 3.343 3608 3608 B 45 ASN HA B 45 ASN HD22 1.0 1.733 3.343 3609 3609 A 75 HIS HBx A 76 TRP HE1 1.0 1.967 5.007 3610 3610 B 75 HIS HBx B 76 TRP HE1 1.0 1.967 5.007 3611 3611 A 2 SER HA A 2 SER H 1.0 1.928 4.550 3612 3612 B 2 SER HA B 2 SER H 1.0 1.928 4.550 3613 3613 A 48 VAL HGy% A 48 VAL H 1.0 1.704 3.218 3614 3614 B 48 VAL HGy% B 48 VAL H 1.0 1.704 3.218 3615 3615 A 47 SER HBx A 48 VAL H 1.0 1.974 6.936 3616 3616 B 47 SER HBx B 48 VAL H 1.0 1.974 6.936 3617 3617 A 47 SER HBy A 48 VAL H 1.0 1.951 7.311 3618 3618 B 47 SER HBy B 48 VAL H 1.0 1.951 7.311 3619 3619 A 48 VAL HA A 48 VAL H 1.0 1.886 4.204 3620 3620 B 48 VAL HA B 48 VAL H 1.0 1.886 4.204 3621 3621 A 77 ASN HBy A 77 ASN HD21 1.0 2.000 6.170 3622 3622 B 77 ASN HBy B 77 ASN HD21 1.0 2.000 6.170 3623 3623 A 34 LYS H A 33 GLY H 1.0 1.490 2.470 3624 3624 B 34 LYS H B 33 GLY H 1.0 1.490 2.470 3625 3625 A 32 LYS HB3 A 34 LYS H 1.0 1.832 3.852 3626 3626 B 32 LYS HB3 B 34 LYS H 1.0 1.832 3.852 3627 3627 A 29 THR HG2% A 34 LYS H 1.0 1.842 3.912 3628 3628 B 29 THR HG2% B 34 LYS H 1.0 1.842 3.912 3629 3629 A 22 VAL HGy% A 55 GLU H 1.0 1.961 4.929 3630 3630 B 22 VAL HGy% B 55 GLU H 1.0 1.961 4.929 3631 3631 A 54 PHE HD1 A 55 GLU H 1.0 1.852 8.322 3632 3632 B 54 PHE HD1 B 55 GLU H 1.0 1.852 8.322 3633 3633 A 20 VAL H A 55 GLU H 1.0 1.810 3.724 3634 3634 B 20 VAL H B 55 GLU H 1.0 1.810 3.724 3635 3635 A 55 GLU HA A 55 GLU H 1.0 1.917 4.461 3636 3636 B 55 GLU HA B 55 GLU H 1.0 1.917 4.461 3637 3637 A 55 GLU HGy A 55 GLU H 1.0 1.878 4.146 3638 3638 B 55 GLU HGy B 55 GLU H 1.0 1.878 4.146 3639 3639 A 54 PHE HA A 55 GLU H 1.0 1.678 3.110 3640 3640 B 54 PHE HA B 55 GLU H 1.0 1.678 3.110 3641 3641 A 21 TRP HA A 55 GLU H 1.0 1.997 5.697 3642 3642 B 21 TRP HA B 55 GLU H 1.0 1.997 5.697 3643 3643 A 55 GLU H A 19 SER HA 1.0 1.935 7.511 3644 3644 B 55 GLU H B 19 SER HA 1.0 1.935 7.511 3645 3645 A 106 THR H A 85 THR H 1.0 1.997 6.295 3646 3646 B 106 THR H B 85 THR H 1.0 1.997 6.295 3647 3647 A 84 HIS HBy A 85 THR H 1.0 1.867 4.075 3648 3648 B 84 HIS HBy B 85 THR H 1.0 1.867 4.075 3649 3649 A 85 THR HG2% A 85 THR H 1.0 1.653 3.015 3650 3650 B 85 THR HG2% B 85 THR H 1.0 1.653 3.015 3651 3651 A 84 HIS HA A 85 THR H 1.0 1.768 3.510 3652 3652 B 84 HIS HA B 85 THR H 1.0 1.768 3.510 3653 3653 A 28 ALA HA A 29 THR H 1.0 1.695 3.183 3654 3654 B 28 ALA HA B 29 THR H 1.0 1.695 3.183 3655 3655 A 28 ALA HB% A 29 THR H 1.0 1.541 2.627 3656 3656 B 28 ALA HB% B 29 THR H 1.0 1.541 2.627 3657 3657 A 102 ILE HG2% A 29 THR H 1.0 1.876 4.132 3658 3658 B 102 ILE HG2% B 29 THR H 1.0 1.876 4.132 3659 3659 A 29 THR HG2% A 29 THR H 1.0 1.940 4.672 3660 3660 B 29 THR HG2% B 29 THR H 1.0 1.940 4.672 3661 3661 A 29 THR HB A 29 THR H 1.0 1.687 3.149 3662 3662 B 29 THR HB B 29 THR H 1.0 1.687 3.149 3663 3663 A 29 THR H A 30 ASP H 1.0 1.993 6.475 3664 3664 B 29 THR H B 30 ASP H 1.0 1.993 6.475 3665 3665 A 62 ASN HBy A 62 ASN H 1.0 1.980 6.832 3666 3666 B 62 ASN HBy B 62 ASN H 1.0 1.980 6.832 3667 3667 A 96 GLN HA A 96 GLN HE21 1.0 1.841 3.905 3668 3668 B 96 GLN HA B 96 GLN HE21 1.0 1.841 3.905 3669 3669 A 22 VAL H A 21 TRP H 1.0 1.975 5.135 3670 3670 B 22 VAL H B 21 TRP H 1.0 1.975 5.135 3671 3671 A 21 TRP HBx A 21 TRP H 1.0 1.797 3.655 3672 3672 B 21 TRP HBx B 21 TRP H 1.0 1.797 3.655 3673 3673 A 20 VAL HA A 21 TRP H 1.0 1.631 2.931 3674 3674 B 20 VAL HA B 21 TRP H 1.0 1.631 2.931 3675 3675 A 20 VAL HGx% A 21 TRP H 1.0 1.620 2.894 3676 3676 B 20 VAL HGx% B 21 TRP H 1.0 1.620 2.894 3677 3677 A 20 VAL HB A 21 TRP H 1.0 1.826 3.810 3678 3678 B 20 VAL HB B 21 TRP H 1.0 1.826 3.810 3679 3679 A 69 ARG H A 68 CYS HA 1.0 1.874 4.120 3680 3680 B 69 ARG H B 68 CYS HA 1.0 1.874 4.120 3681 3681 A 35 GLU HA A 30 ASP H 1.0 1.932 4.598 3682 3682 B 35 GLU HA B 30 ASP H 1.0 1.932 4.598 3683 3683 A 33 GLY H A 30 ASP H 1.0 1.989 5.427 3684 3684 B 33 GLY H B 30 ASP H 1.0 1.989 5.427 3685 3685 A 29 THR HG2% A 30 ASP H 1.0 1.703 3.215 3686 3686 B 29 THR HG2% B 30 ASP H 1.0 1.703 3.215 3687 3687 A 32 LYS H A 30 ASP H 1.0 1.946 7.362 3688 3688 B 32 LYS H B 30 ASP H 1.0 1.946 7.362 3689 3689 A 102 ILE HG2% A 30 ASP H 1.0 1.843 3.911 3690 3690 B 102 ILE HG2% B 30 ASP H 1.0 1.843 3.911 3691 3691 A 35 GLU H A 30 ASP H 1.0 2.000 5.948 3692 3692 B 35 GLU H B 30 ASP H 1.0 2.000 5.948 3693 3693 A 30 ASP HBx A 30 ASP H 1.0 1.764 3.484 3694 3694 B 30 ASP HBx B 30 ASP H 1.0 1.764 3.484 3695 3695 A 34 LYS HBy A 30 ASP H 1.0 1.993 6.475 3696 3696 B 34 LYS HBy B 30 ASP H 1.0 1.993 6.475 3697 3697 A 109 VAL HA A 109 VAL H 1.0 1.919 4.465 3698 3698 B 109 VAL HA B 109 VAL H 1.0 1.919 4.465 3699 3699 A 80 CYS HA A 109 VAL H 1.0 1.997 5.655 3700 3700 B 80 CYS HA B 109 VAL H 1.0 1.997 5.655 3701 3701 A 109 VAL HGx% A 109 VAL H 1.0 1.624 2.910 3702 3702 B 109 VAL HGx% B 109 VAL H 1.0 1.624 2.910 3703 3703 A 108 CYS H A 109 VAL H 1.0 1.999 6.163 3704 3704 B 108 CYS H B 109 VAL H 1.0 1.999 6.163 3705 3705 A 118 ARG HG3 A 118 ARG H 1.0 2.000 5.914 3706 3706 B 118 ARG HG3 B 118 ARG H 1.0 2.000 5.914 3707 3707 A 114 ARG HG3 A 114 ARG H 1.0 1.894 7.946 3708 3708 B 114 ARG HG3 B 114 ARG H 1.0 1.894 7.946 3709 3709 A 115 LYS HE3 A 115 LYS H 1.0 1.913 7.763 3710 3710 B 115 LYS HE3 B 115 LYS H 1.0 1.913 7.763 3711 3711 A 113 SER HB3 A 113 SER H 1.0 1.941 4.677 3712 3712 B 113 SER HB3 B 113 SER H 1.0 1.941 4.677 3713 3713 A 96 GLN HG3 A 96 GLN HE21 1.0 1.951 4.791 3714 3714 B 96 GLN HG3 B 96 GLN HE21 1.0 1.951 4.791 3715 3715 A 96 GLN HG3 A 96 GLN HE22 1.0 1.991 6.547 3716 3716 B 96 GLN HG3 B 96 GLN HE22 1.0 1.991 6.547 3717 3717 A 95 LYS HG3 A 95 LYS H 1.0 1.850 3.960 3718 3718 B 95 LYS HG3 B 95 LYS H 1.0 1.850 3.960 3719 3719 A 94 GLU HB3 A 95 LYS H 1.0 1.706 3.228 3720 3720 B 94 GLU HB3 B 95 LYS H 1.0 1.706 3.228 3721 3721 A 93 ASP HB3 A 94 GLU H 1.0 1.927 7.597 3722 3722 B 93 ASP HB3 B 94 GLU H 1.0 1.927 7.597 3723 3723 A 94 GLU HB3 A 94 GLU H 1.0 1.900 4.306 3724 3724 B 94 GLU HB3 B 94 GLU H 1.0 1.900 4.306 3725 3725 A 86 PHE HD1 A 86 PHE H 1.0 1.991 6.549 3726 3726 B 86 PHE HD1 B 86 PHE H 1.0 1.991 6.549 3727 3727 A 78 SER HBx A 79 TYR H 1.0 1.950 4.790 3728 3728 B 78 SER HBx B 79 TYR H 1.0 1.950 4.790 3729 3729 A 79 TYR H A 79 TYR HD1 1.0 1.995 6.425 3730 3730 B 79 TYR H B 79 TYR HD1 1.0 1.995 6.425 3731 3731 A 78 SER HBx A 78 SER H 1.0 1.929 4.567 3732 3732 B 78 SER HBx B 78 SER H 1.0 1.929 4.567 3733 3733 A 65 GLU HG3 A 65 GLU H 1.0 1.990 5.426 3734 3734 B 65 GLU HG3 B 65 GLU H 1.0 1.990 5.426 3735 3735 A 65 GLU HB3 A 65 GLU H 1.0 1.810 3.728 3736 3736 B 65 GLU HB3 B 65 GLU H 1.0 1.810 3.728 3737 3737 A 53 PHE HD1 A 54 PHE H 1.0 1.855 8.297 3738 3738 B 53 PHE HD1 B 54 PHE H 1.0 1.855 8.297 3739 3739 A 53 PHE HD1 A 53 PHE H 1.0 1.979 5.185 3740 3740 B 53 PHE HD1 B 53 PHE H 1.0 1.979 5.185 3741 3741 A 53 PHE HZ A 53 PHE H 1.0 1.994 6.460 3742 3742 B 53 PHE HZ B 53 PHE H 1.0 1.994 6.460 3743 3743 A 51 GLN HE22 A 51 GLN HB3 1.0 1.661 9.631 3744 3744 B 51 GLN HE22 B 51 GLN HB3 1.0 1.661 9.631 3745 3745 A 50 ARG H A 49 PHE HD1 1.0 1.886 8.022 3746 3746 B 50 ARG H B 49 PHE HD1 1.0 1.886 8.022 3747 3747 A 46 ASN HB3 A 46 ASN HD21 1.0 1.972 5.084 3748 3748 B 46 ASN HB3 B 46 ASN HD21 1.0 1.972 5.084 3749 3749 A 46 ASN HB3 A 46 ASN HD22 1.0 1.981 6.787 3750 3750 B 46 ASN HB3 B 46 ASN HD22 1.0 1.981 6.787 3751 3751 A 41 GLU HG3 A 41 GLU H 1.0 1.703 3.213 3752 3752 B 41 GLU HG3 B 41 GLU H 1.0 1.703 3.213 3753 3753 A 34 LYS HD3 A 34 LYS H 1.0 1.852 3.974 3754 3754 B 34 LYS HD3 B 34 LYS H 1.0 1.852 3.974 3755 3755 A 12 PHE HD1 A 12 PHE H 1.0 1.998 6.262 3756 3756 B 12 PHE HD1 B 12 PHE H 1.0 1.998 6.262 3757 3757 A 12 PHE HE1 A 12 PHE H 1.0 1.989 6.625 3758 3758 B 12 PHE HE1 B 12 PHE H 1.0 1.989 6.625 3759 3759 A 11 GLU HB3 A 11 GLU H 1.0 1.776 3.546 3760 3760 B 11 GLU HB3 B 11 GLU H 1.0 1.776 3.546 3761 3761 A 7 PHE HD1 A 7 PHE H 1.0 1.991 6.535 3762 3762 B 7 PHE HD1 B 7 PHE H 1.0 1.991 6.535 3763 3763 A 105 ASP H A 104 ILE HG2% 1.0 1.984 5.302 3764 3764 B 105 ASP H B 104 ILE HG2% 1.0 1.984 5.302 3765 3765 A 105 ASP H A 55 GLU HGy 1.0 1.940 7.440 3766 3766 B 105 ASP H B 55 GLU HGy 1.0 1.940 7.440 3767 3767 A 104 ILE HA A 105 ASP H 1.0 1.739 3.373 3768 3768 B 104 ILE HA B 105 ASP H 1.0 1.739 3.373 3769 3769 A 70 GLY HAy A 71 ILE H 1.0 1.999 6.159 3770 3770 B 70 GLY HAy B 71 ILE H 1.0 1.999 6.159 3771 3771 A 71 ILE H A 72 ASP H 1.0 1.990 6.562 3772 3772 B 71 ILE H B 72 ASP H 1.0 1.990 6.562 3773 3773 A 71 ILE HG2% A 71 ILE H 1.0 1.952 4.808 3774 3774 B 71 ILE HG2% B 71 ILE H 1.0 1.952 4.808 3775 3775 A 53 PHE H A 21 TRP H 1.0 1.870 8.166 3776 3776 B 53 PHE H B 21 TRP H 1.0 1.870 8.166 3777 3777 A 22 VAL HB A 53 PHE H 1.0 1.959 4.899 3778 3778 B 22 VAL HB B 53 PHE H 1.0 1.959 4.899 3779 3779 A 22 VAL HGx% A 53 PHE H 1.0 1.996 5.648 3780 3780 B 22 VAL HGx% B 53 PHE H 1.0 1.996 5.648 3781 3781 A 53 PHE HBx A 53 PHE H 1.0 1.818 3.768 3782 3782 B 53 PHE HBx B 53 PHE H 1.0 1.818 3.768 3783 3783 A 23 GLY HAx A 53 PHE H 1.0 1.901 7.883 3784 3784 B 23 GLY HAx B 53 PHE H 1.0 1.901 7.883 3785 3785 A 57 LYS HA A 18 VAL H 1.0 0.000 6.000 3786 3786 B 57 LYS HA B 18 VAL H 1.0 0.000 6.000 3787 3787 A 58 CYS HA A 18 VAL H 1.0 1.997 5.713 3788 3788 B 58 CYS HA B 18 VAL H 1.0 1.997 5.713 3789 3789 A 18 VAL HA A 18 VAL H 1.0 1.857 4.005 3790 3790 B 18 VAL HA B 18 VAL H 1.0 1.857 4.005 3791 3791 A 18 VAL HGy% A 18 VAL H 1.0 1.881 4.167 3792 3792 B 18 VAL HGy% B 18 VAL H 1.0 1.881 4.167 3793 3793 A 57 LYS HBy A 18 VAL H 1.0 1.923 4.511 3794 3794 B 57 LYS HBy B 18 VAL H 1.0 1.923 4.511 3795 3795 A 18 VAL H A 56 THR HG2% 1.0 1.768 3.506 3796 3796 B 18 VAL H B 56 THR HG2% 1.0 1.768 3.506 3797 3797 A 59 ARG HBx A 18 VAL H 1.0 1.995 5.621 3798 3798 B 59 ARG HBx B 18 VAL H 1.0 1.995 5.621 3799 3799 A 21 TRP HA A 21 TRP H 1.0 1.893 4.255 3800 3800 B 21 TRP HA B 21 TRP H 1.0 1.893 4.255 3801 3801 A 54 PHE HA A 21 TRP H 1.0 0.000 6.000 3802 3802 B 54 PHE HA B 21 TRP H 1.0 0.000 6.000 3803 3803 A 21 TRP HBy A 21 TRP H 1.0 1.979 5.185 3804 3804 B 21 TRP HBy B 21 TRP H 1.0 1.979 5.185 3805 3805 A 21 TRP HD1 A 21 TRP H 1.0 1.981 5.235 3806 3806 B 21 TRP HD1 B 21 TRP H 1.0 1.981 5.235 3807 3807 A 20 VAL HGy% A 21 TRP H 1.0 1.914 4.432 3808 3808 B 20 VAL HGy% B 21 TRP H 1.0 1.914 4.432 3809 3809 A 63 PRO HGx A 69 ARG H 1.0 1.880 4.160 3810 3810 B 63 PRO HGx B 69 ARG H 1.0 1.880 4.160 3811 3811 A 69 ARG H A 69 ARG HBx 1.0 1.797 3.651 3812 3812 B 69 ARG H B 69 ARG HBx 1.0 1.797 3.651 3813 3813 A 69 ARG H A 64 VAL HGx% 1.0 1.983 5.277 3814 3814 B 69 ARG H B 64 VAL HGx% 1.0 1.983 5.277 3815 3815 A 69 ARG H A 69 ARG HBy 1.0 1.988 5.392 3816 3816 B 69 ARG H B 69 ARG HBy 1.0 1.988 5.392 3817 3817 A 69 ARG H A 69 ARG HDy 1.0 1.904 7.844 3818 3818 B 69 ARG H B 69 ARG HDy 1.0 1.904 7.844 3819 3819 A 69 ARG H A 69 ARG HA 1.0 1.911 4.399 3820 3820 B 69 ARG H B 69 ARG HA 1.0 1.911 4.399 3821 3821 A 69 ARG H A 64 VAL HGy% 1.0 1.960 4.916 3822 3822 B 69 ARG H B 64 VAL HGy% 1.0 1.960 4.916 3823 3823 A 69 ARG H A 69 ARG HGx 1.0 1.973 5.103 3824 3824 B 69 ARG H B 69 ARG HGx 1.0 1.973 5.103 3825 3825 A 69 ARG H A 69 ARG HGy 1.0 1.940 4.672 3826 3826 B 69 ARG H B 69 ARG HGy 1.0 1.940 4.672 3827 3827 A 62 ASN HBx A 62 ASN HD21 1.0 1.981 6.809 3828 3828 B 62 ASN HBx B 62 ASN HD21 1.0 1.981 6.809 3829 3829 A 67 GLY H A 62 ASN HD21 1.0 1.979 6.829 3830 3830 B 67 GLY H B 62 ASN HD21 1.0 1.979 6.829 3831 3831 A 79 TYR HA A 62 ASN HD21 1.0 1.679 3.115 3832 3832 B 79 TYR HA B 62 ASN HD21 1.0 1.679 3.115 3833 3833 A 92 THR HG2% A 93 ASP H 1.0 1.999 6.217 3834 3834 B 92 THR HG2% B 93 ASP H 1.0 1.999 6.217 3835 3835 A 92 THR H A 93 ASP H 1.0 1.997 5.683 3836 3836 B 92 THR H B 93 ASP H 1.0 1.997 5.683 3837 3837 A 36 VAL HGy% A 93 ASP H 1.0 1.987 6.661 3838 3838 B 36 VAL HGy% B 93 ASP H 1.0 1.987 6.661 3839 3839 A 96 GLN HE21 A 96 GLN HE22 1.0 1.169 1.675 3840 3840 B 96 GLN HE21 B 96 GLN HE22 1.0 1.169 1.675 3841 3841 A 96 GLN HBx A 96 GLN HE21 1.0 1.929 7.575 3842 3842 B 96 GLN HBx B 96 GLN HE21 1.0 1.929 7.575 3843 3843 A 96 GLN HBy A 96 GLN HE21 1.0 1.971 6.993 3844 3844 B 96 GLN HBy B 96 GLN HE21 1.0 1.971 6.993 3845 3845 A 26 THR HB A 27 THR H 1.0 1.983 5.271 3846 3846 B 26 THR HB B 27 THR H 1.0 1.983 5.271 3847 3847 A 38 VAL H A 27 THR H 1.0 1.953 4.831 3848 3848 B 38 VAL H B 27 THR H 1.0 1.953 4.831 3849 3849 A 26 THR H A 27 THR H 1.0 1.603 2.831 3850 3850 B 26 THR H B 27 THR H 1.0 1.603 2.831 3851 3851 A 27 THR HB A 27 THR H 1.0 1.947 4.751 3852 3852 B 27 THR HB B 27 THR H 1.0 1.947 4.751 3853 3853 A 27 THR HG2% A 27 THR H 1.0 1.745 3.397 3854 3854 B 27 THR HG2% B 27 THR H 1.0 1.745 3.397 3855 3855 A 28 ALA H A 27 THR H 1.0 2.000 5.948 3856 3856 B 28 ALA H B 27 THR H 1.0 2.000 5.948 3857 3857 A 25 LYS HGy A 27 THR H 1.0 1.881 4.167 3858 3858 B 25 LYS HGy B 27 THR H 1.0 1.881 4.167 3859 3859 A 38 VAL HGy% A 27 THR H 1.0 1.938 4.656 3860 3860 B 38 VAL HGy% B 27 THR H 1.0 1.938 4.656 3861 3861 A 57 LYS H A 17 SER HBx 1.0 1.972 5.082 3862 3862 B 57 LYS H B 17 SER HBx 1.0 1.972 5.082 3863 3863 A 57 LYS HBx A 57 LYS H 1.0 1.954 4.832 3864 3864 B 57 LYS HBx B 57 LYS H 1.0 1.954 4.832 3865 3865 A 57 LYS H A 57 LYS HGx 1.0 1.917 4.457 3866 3866 B 57 LYS H B 57 LYS HGx 1.0 1.917 4.457 3867 3867 A 57 LYS HBy A 57 LYS H 1.0 1.773 3.533 3868 3868 B 57 LYS HBy B 57 LYS H 1.0 1.773 3.533 3869 3869 A 57 LYS HDx A 57 LYS H 1.0 2.000 5.868 3870 3870 B 57 LYS HDx B 57 LYS H 1.0 2.000 5.868 3871 3871 A 31 ILE HA A 32 LYS H 1.0 1.921 4.491 3872 3872 B 31 ILE HA B 32 LYS H 1.0 1.921 4.491 3873 3873 A 65 GLU HA A 65 GLU H 1.0 1.929 4.565 3874 3874 B 65 GLU HA B 65 GLU H 1.0 1.929 4.565 3875 3875 A 64 VAL HB A 65 GLU H 1.0 1.700 3.204 3876 3876 B 64 VAL HB B 65 GLU H 1.0 1.700 3.204 3877 3877 A 64 VAL HA A 65 GLU H 1.0 1.965 4.971 3878 3878 B 64 VAL HA B 65 GLU H 1.0 1.965 4.971 3879 3879 A 73 SER HBy A 73 SER H 1.0 1.989 5.411 3880 3880 B 73 SER HBy B 73 SER H 1.0 1.989 5.411 3881 3881 A 73 SER HBx A 73 SER H 1.0 1.827 3.817 3882 3882 B 73 SER HBx B 73 SER H 1.0 1.827 3.817 3883 3883 A 73 SER H A 72 ASP H 1.0 1.987 5.383 3884 3884 B 73 SER H B 72 ASP H 1.0 1.987 5.383 3885 3885 A 73 SER H A 74 LYS H 1.0 1.797 3.657 3886 3886 B 73 SER H B 74 LYS H 1.0 1.797 3.657 3887 3887 A 76 TRP HBy A 73 SER H 1.0 1.914 4.426 3888 3888 B 76 TRP HBy B 73 SER H 1.0 1.914 4.426 3889 3889 A 72 ASP HA A 73 SER H 1.0 1.657 3.031 3890 3890 B 72 ASP HA B 73 SER H 1.0 1.657 3.031 3891 3891 A 73 SER HA A 73 SER H 1.0 1.787 3.603 3892 3892 B 73 SER HA B 73 SER H 1.0 1.787 3.603 3893 3893 A 63 PRO HGx A 62 ASN H 1.0 1.935 7.511 3894 3894 B 63 PRO HGx B 62 ASN H 1.0 1.935 7.511 3895 3895 A 62 ASN HBx A 62 ASN H 1.0 1.973 5.109 3896 3896 B 62 ASN HBx B 62 ASN H 1.0 1.973 5.109 3897 3897 A 62 ASN HA A 62 ASN H 1.0 1.931 4.583 3898 3898 B 62 ASN HA B 62 ASN H 1.0 1.931 4.583 3899 3899 A 53 PHE H A 22 VAL H 1.0 1.882 4.176 3900 3900 B 53 PHE H B 22 VAL H 1.0 1.882 4.176 3901 3901 A 54 PHE HA A 22 VAL H 1.0 1.997 5.703 3902 3902 B 54 PHE HA B 22 VAL H 1.0 1.997 5.703 3903 3903 A 22 VAL H A 54 PHE H 1.0 1.969 7.023 3904 3904 B 22 VAL H B 54 PHE H 1.0 1.969 7.023 3905 3905 A 21 TRP HBy A 22 VAL H 1.0 2.000 6.076 3906 3906 B 21 TRP HBy B 22 VAL H 1.0 2.000 6.076 3907 3907 A 22 VAL HA A 22 VAL H 1.0 1.887 4.215 3908 3908 B 22 VAL HA B 22 VAL H 1.0 1.887 4.215 3909 3909 A 21 TRP HE3 A 22 VAL H 1.0 1.928 7.592 3910 3910 B 21 TRP HE3 B 22 VAL H 1.0 1.928 7.592 3911 3911 A 53 PHE HBx A 22 VAL H 1.0 1.924 4.520 3912 3912 B 53 PHE HBx B 22 VAL H 1.0 1.924 4.520 3913 3913 A 23 GLY H A 22 VAL H 1.0 1.982 6.772 3914 3914 B 23 GLY H B 22 VAL H 1.0 1.982 6.772 3915 3915 A 55 GLU HGy A 22 VAL H 1.0 1.940 4.676 3916 3916 B 55 GLU HGy B 22 VAL H 1.0 1.940 4.676 3917 3917 A 53 PHE HBy A 22 VAL H 1.0 1.977 6.875 3918 3918 B 53 PHE HBy B 22 VAL H 1.0 1.977 6.875 3919 3919 A 55 GLU H A 22 VAL H 1.0 1.995 5.615 3920 3920 B 55 GLU H B 22 VAL H 1.0 1.995 5.615 3921 3921 A 84 HIS H A 83 THR HA 1.0 1.760 3.472 3922 3922 B 84 HIS H B 83 THR HA 1.0 1.760 3.472 3923 3923 A 84 HIS H A 83 THR HB 1.0 1.900 4.314 3924 3924 B 84 HIS H B 83 THR HB 1.0 1.900 4.314 3925 3925 A 42 VAL H A 43 ASN H 1.0 1.997 5.661 3926 3926 B 42 VAL H B 43 ASN H 1.0 1.997 5.661 3927 3927 A 43 ASN H A 43 ASN HBy 1.0 1.993 5.545 3928 3928 B 43 ASN H B 43 ASN HBy 1.0 1.993 5.545 3929 3929 A 42 VAL HGx% A 43 ASN H 1.0 1.997 5.667 3930 3930 B 42 VAL HGx% B 43 ASN H 1.0 1.997 5.667 3931 3931 A 112 LEU HDy% A 78 SER H 1.0 1.999 6.101 3932 3932 B 112 LEU HDy% B 78 SER H 1.0 1.999 6.101 3933 3933 A 79 TYR HBx A 78 SER H 1.0 0.000 6.000 3934 3934 B 79 TYR HBx B 78 SER H 1.0 0.000 6.000 3935 3935 A 77 ASN H A 78 SER H 1.0 1.998 5.782 3936 3936 B 77 ASN H B 78 SER H 1.0 1.998 5.782 3937 3937 A 77 ASN HA A 78 SER H 1.0 1.654 3.016 3938 3938 B 77 ASN HA B 78 SER H 1.0 1.654 3.016 3939 3939 A 77 ASN HBy A 78 SER H 1.0 1.979 5.209 3940 3940 B 77 ASN HBy B 78 SER H 1.0 1.979 5.209 3941 3941 A 91 THR HG2% A 91 THR H 1.0 1.762 3.474 3942 3942 B 91 THR HG2% B 91 THR H 1.0 1.762 3.474 3943 3943 A 26 THR HA A 38 VAL H 1.0 1.857 4.001 3944 3944 B 26 THR HA B 38 VAL H 1.0 1.857 4.001 3945 3945 A 38 VAL H A 27 THR HB 1.0 1.852 8.326 3946 3946 B 38 VAL H B 27 THR HB 1.0 1.852 8.326 3947 3947 A 38 VAL H A 37 THR HB 1.0 1.999 5.819 3948 3948 B 38 VAL H B 37 THR HB 1.0 1.999 5.819 3949 3949 A 38 VAL H A 39 LEU HDx% 1.0 1.967 7.065 3950 3950 B 38 VAL H B 39 LEU HDx% 1.0 1.967 7.065 3951 3951 A 25 LYS HDx A 26 THR H 1.0 1.903 7.863 3952 3952 B 25 LYS HDx B 26 THR H 1.0 1.903 7.863 3953 3953 A 26 THR HG2% A 26 THR H 1.0 1.694 3.176 3954 3954 B 26 THR HG2% B 26 THR H 1.0 1.694 3.176 3955 3955 A 25 LYS HA A 26 THR H 1.0 1.737 3.359 3956 3956 B 25 LYS HA B 26 THR H 1.0 1.737 3.359 3957 3957 A 38 VAL HGy% A 26 THR H 1.0 1.988 6.630 3958 3958 B 38 VAL HGy% B 26 THR H 1.0 1.988 6.630 3959 3959 A 71 ILE HD1% A 68 CYS H 1.0 1.957 7.213 3960 3960 B 71 ILE HD1% B 68 CYS H 1.0 1.957 7.213 3961 3961 A 67 GLY HAy A 68 CYS H 1.0 1.965 4.979 3962 3962 B 67 GLY HAy B 68 CYS H 1.0 1.965 4.979 3963 3963 A 68 CYS H A 71 ILE HG2% 1.0 1.967 5.003 3964 3964 B 68 CYS H B 71 ILE HG2% 1.0 1.967 5.003 3965 3965 A 68 CYS H A 71 ILE HB 1.0 1.939 4.661 3966 3966 B 68 CYS H B 71 ILE HB 1.0 1.939 4.661 3967 3967 A 50 ARG HGy A 50 ARG H 1.0 1.982 5.252 3968 3968 B 50 ARG HGy B 50 ARG H 1.0 1.982 5.252 3969 3969 A 50 ARG HDx A 50 ARG H 1.0 1.926 7.622 3970 3970 B 50 ARG HDx B 50 ARG H 1.0 1.926 7.622 3971 3971 A 80 CYS HA A 81 THR H 1.0 1.702 3.212 3972 3972 B 80 CYS HA B 81 THR H 1.0 1.702 3.212 3973 3973 A 109 VAL HGx% A 81 THR H 1.0 1.966 4.996 3974 3974 B 109 VAL HGx% B 81 THR H 1.0 1.966 4.996 3975 3975 A 109 VAL HGy% A 81 THR H 1.0 1.722 3.296 3976 3976 B 109 VAL HGy% B 81 THR H 1.0 1.722 3.296 3977 3977 A 110 CYS HA A 81 THR H 1.0 1.969 7.029 3978 3978 B 110 CYS HA B 81 THR H 1.0 1.969 7.029 3979 3979 A 81 THR HG2% A 81 THR H 1.0 0.000 6.000 3980 3980 B 81 THR HG2% B 81 THR H 1.0 0.000 6.000 3981 3981 A 81 THR H A 111 VAL H 1.0 2.000 6.026 3982 3982 B 81 THR H B 111 VAL H 1.0 2.000 6.026 3983 3983 A 81 THR H A 82 THR H 1.0 1.958 7.202 3984 3984 B 81 THR H B 82 THR H 1.0 1.958 7.202 3985 3985 A 81 THR H A 80 CYS H 1.0 1.952 7.294 3986 3986 B 81 THR H B 80 CYS H 1.0 1.952 7.294 3987 3987 A 10 GLY HAx A 11 GLU H 1.0 1.825 3.807 3988 3988 B 10 GLY HAx B 11 GLU H 1.0 1.825 3.807 3989 3989 A 11 GLU HGy A 11 GLU H 1.0 1.995 6.387 3990 3990 B 11 GLU HGy B 11 GLU H 1.0 1.995 6.387 3991 3991 A 10 GLY HAy A 11 GLU H 1.0 1.900 4.310 3992 3992 B 10 GLY HAy B 11 GLU H 1.0 1.900 4.310 3993 3993 A 12 PHE H A 11 GLU H 1.0 1.923 4.501 3994 3994 B 12 PHE H B 11 GLU H 1.0 1.923 4.501 3995 3995 A 11 GLU HA A 11 GLU H 1.0 1.831 3.843 3996 3996 B 11 GLU HA B 11 GLU H 1.0 1.831 3.843 3997 3997 A 11 GLU HGx A 11 GLU H 1.0 1.868 4.080 3998 3998 B 11 GLU HGx B 11 GLU H 1.0 1.868 4.080 3999 3999 A 111 VAL HB A 79 TYR H 1.0 1.958 4.880 4000 4000 B 111 VAL HB B 79 TYR H 1.0 1.958 4.880 4001 4001 A 79 TYR HBx A 79 TYR H 1.0 1.976 5.156 4002 4002 B 79 TYR HBx B 79 TYR H 1.0 1.976 5.156 4003 4003 A 79 TYR HA A 79 TYR H 1.0 1.894 4.260 4004 4004 B 79 TYR HA B 79 TYR H 1.0 1.894 4.260 4005 4005 A 43 ASN H A 43 ASN HD22 1.0 1.986 6.700 4006 4006 B 43 ASN H B 43 ASN HD22 1.0 1.986 6.700 4007 4007 A 39 LEU HDx% A 43 ASN HD22 1.0 1.829 3.835 4008 4008 B 39 LEU HDx% B 43 ASN HD22 1.0 1.829 3.835 4009 4009 A 43 ASN HD22 A 43 ASN HD21 1.0 1.276 1.910 4010 4010 B 43 ASN HD22 B 43 ASN HD21 1.0 1.276 1.910 4011 4011 A 93 ASP HA A 95 LYS H 1.0 1.905 7.837 4012 4012 B 93 ASP HA B 95 LYS H 1.0 1.905 7.837 4013 4013 A 95 LYS HBy A 95 LYS H 1.0 1.919 4.471 4014 4014 B 95 LYS HBy B 95 LYS H 1.0 1.919 4.471 4015 4015 A 95 LYS H A 94 GLU H 1.0 1.957 4.871 4016 4016 B 95 LYS H B 94 GLU H 1.0 1.957 4.871 4017 4017 A 96 GLN H A 95 LYS H 1.0 1.709 3.237 4018 4018 B 96 GLN H B 95 LYS H 1.0 1.709 3.237 4019 4019 A 95 LYS H A 95 LYS HA 1.0 1.821 3.785 4020 4020 B 95 LYS H B 95 LYS HA 1.0 1.821 3.785 4021 4021 A 87 VAL HGx% A 87 VAL H 1.0 1.784 3.588 4022 4022 B 87 VAL HGx% B 87 VAL H 1.0 1.784 3.588 4023 4023 A 87 VAL HGy% A 87 VAL H 1.0 1.648 2.996 4024 4024 B 87 VAL HGy% B 87 VAL H 1.0 1.648 2.996 4025 4025 A 101 PHE HBx A 87 VAL H 1.0 1.997 5.715 4026 4026 B 101 PHE HBx B 87 VAL H 1.0 1.997 5.715 4027 4027 A 59 ARG HBy A 59 ARG H 1.0 1.984 5.294 4028 4028 B 59 ARG HBy B 59 ARG H 1.0 1.984 5.294 4029 4029 A 59 ARG HGy A 59 ARG H 1.0 1.915 4.435 4030 4030 B 59 ARG HGy B 59 ARG H 1.0 1.915 4.435 4031 4031 A 59 ARG HDx A 59 ARG H 1.0 1.932 7.540 4032 4032 B 59 ARG HDx B 59 ARG H 1.0 1.932 7.540 4033 4033 A 44 ILE H A 43 ASN H 1.0 1.999 6.225 4034 4034 B 44 ILE H B 43 ASN H 1.0 1.999 6.225 4035 4035 A 44 ILE HG1x A 44 ILE H 1.0 1.829 3.831 4036 4036 B 44 ILE HG1x B 44 ILE H 1.0 1.829 3.831 4037 4037 A 44 ILE H A 43 ASN HBy 1.0 1.991 6.563 4038 4038 B 44 ILE H B 43 ASN HBy 1.0 1.991 6.563 4039 4039 A 44 ILE H A 44 ILE HD1% 1.0 2.000 6.050 4040 4040 B 44 ILE H B 44 ILE HD1% 1.0 2.000 6.050 4041 4041 A 47 SER HBx A 44 ILE H 1.0 1.998 5.734 4042 4042 B 47 SER HBx B 44 ILE H 1.0 1.998 5.734 4043 4043 A 44 ILE HG2% A 44 ILE H 1.0 1.998 5.700 4044 4044 B 44 ILE HG2% B 44 ILE H 1.0 1.998 5.700 4045 4045 A 77 ASN HD22 A 77 ASN HD21 1.0 1.477 2.431 4046 4046 B 77 ASN HD22 B 77 ASN HD21 1.0 1.477 2.431 4047 4047 A 77 ASN HBx A 77 ASN HD22 1.0 1.991 5.469 4048 4048 B 77 ASN HBx B 77 ASN HD22 1.0 1.991 5.469 4049 4049 A 77 ASN HBy A 77 ASN HD22 1.0 1.995 6.401 4050 4050 B 77 ASN HBy B 77 ASN HD22 1.0 1.995 6.401 4051 4051 A 104 ILE HG2% A 54 PHE H 1.0 1.997 5.695 4052 4052 B 104 ILE HG2% B 54 PHE H 1.0 1.997 5.695 4053 4053 A 54 PHE HBy A 54 PHE H 1.0 1.909 4.387 4054 4054 B 54 PHE HBy B 54 PHE H 1.0 1.909 4.387 4055 4055 A 13 SER HBx A 13 SER H 1.0 1.979 5.195 4056 4056 B 13 SER HBx B 13 SER H 1.0 1.979 5.195 4057 4057 A 14 VAL H A 13 SER H 1.0 2.000 6.006 4058 4058 B 14 VAL H B 13 SER H 1.0 2.000 6.006 4059 4059 A 13 SER HBy A 13 SER H 1.0 1.901 4.323 4060 4060 B 13 SER HBy B 13 SER H 1.0 1.901 4.323 4061 4061 A 85 THR HB A 86 PHE H 1.0 1.997 6.305 4062 4062 B 85 THR HB B 86 PHE H 1.0 1.997 6.305 4063 4063 A 85 THR HG1 A 86 PHE H 1.0 1.940 4.674 4064 4064 B 85 THR HG1 B 86 PHE H 1.0 1.940 4.674 4065 4065 A 27 THR HG2% A 36 VAL H 1.0 1.971 5.065 4066 4066 B 27 THR HG2% B 36 VAL H 1.0 1.971 5.065 4067 4067 A 29 THR H A 36 VAL H 1.0 1.999 6.203 4068 4068 B 29 THR H B 36 VAL H 1.0 1.999 6.203 4069 4069 A 27 THR HA A 36 VAL H 1.0 1.983 6.745 4070 4070 B 27 THR HA B 36 VAL H 1.0 1.983 6.745 4071 4071 A 36 VAL H A 30 ASP H 1.0 1.986 5.344 4072 4072 B 36 VAL H B 30 ASP H 1.0 1.986 5.344 4073 4073 A 102 ILE HA A 103 ARG H 1.0 1.823 3.793 4074 4074 B 102 ILE HA B 103 ARG H 1.0 1.823 3.793 4075 4075 A 103 ARG HBx A 103 ARG H 1.0 1.790 3.620 4076 4076 B 103 ARG HBx B 103 ARG H 1.0 1.790 3.620 4077 4077 A 30 ASP HA A 103 ARG H 1.0 1.997 5.713 4078 4078 B 30 ASP HA B 103 ARG H 1.0 1.997 5.713 4079 4079 A 103 ARG HA A 103 ARG H 1.0 1.892 4.250 4080 4080 B 103 ARG HA B 103 ARG H 1.0 1.892 4.250 4081 4081 A 104 ILE HG1x A 103 ARG H 1.0 0.000 6.000 4082 4082 B 104 ILE HG1x B 103 ARG H 1.0 0.000 6.000 4083 4083 A 102 ILE HB A 103 ARG H 1.0 1.796 3.650 4084 4084 B 102 ILE HB B 103 ARG H 1.0 1.796 3.650 4085 4085 A 29 THR HG2% A 103 ARG H 1.0 2.000 5.966 4086 4086 B 29 THR HG2% B 103 ARG H 1.0 2.000 5.966 4087 4087 A 28 ALA HB% A 103 ARG H 1.0 1.907 4.365 4088 4088 B 28 ALA HB% B 103 ARG H 1.0 1.907 4.365 4089 4089 A 62 ASN HD22 A 62 ASN HD21 1.0 1.219 1.781 4090 4090 B 62 ASN HD22 B 62 ASN HD21 1.0 1.219 1.781 4091 4091 A 62 ASN HBx A 62 ASN HD22 1.0 1.996 5.622 4092 4092 B 62 ASN HBx B 62 ASN HD22 1.0 1.996 5.622 4093 4093 A 62 ASN HD22 A 67 GLY H 1.0 2.000 5.844 4094 4094 B 62 ASN HD22 B 67 GLY H 1.0 2.000 5.844 4095 4095 A 62 ASN HBy A 62 ASN HD22 1.0 1.813 3.741 4096 4096 B 62 ASN HBy B 62 ASN HD22 1.0 1.813 3.741 4097 4097 A 100 ARG HA A 100 ARG H 1.0 1.722 3.296 4098 4098 B 100 ARG HA B 100 ARG H 1.0 1.722 3.296 4099 4099 A 100 ARG HBx A 100 ARG H 1.0 1.970 5.062 4100 4100 B 100 ARG HBx B 100 ARG H 1.0 1.970 5.062 4101 4101 A 100 ARG HBy A 100 ARG H 1.0 1.736 3.354 4102 4102 B 100 ARG HBy B 100 ARG H 1.0 1.736 3.354 4103 4103 A 100 ARG HDy A 100 ARG H 1.0 1.863 8.229 4104 4104 B 100 ARG HDy B 100 ARG H 1.0 1.863 8.229 4105 4105 A 100 ARG HDx A 100 ARG H 1.0 1.975 5.127 4106 4106 B 100 ARG HDx B 100 ARG H 1.0 1.975 5.127 4107 4107 A 99 TRP HE1 A 99 TRP HH2 1.0 1.931 7.549 4108 4108 B 99 TRP HE1 B 99 TRP HH2 1.0 1.931 7.549 4109 4109 A 66 SER HA A 66 SER H 1.0 1.916 4.446 4110 4110 B 66 SER HA B 66 SER H 1.0 1.916 4.446 4111 4111 A 65 GLU H A 66 SER H 1.0 1.979 5.201 4112 4112 B 65 GLU H B 66 SER H 1.0 1.979 5.201 4113 4113 A 64 VAL HB A 66 SER H 1.0 1.968 5.014 4114 4114 B 64 VAL HB B 66 SER H 1.0 1.968 5.014 4115 4115 A 66 SER HBx A 66 SER H 1.0 1.992 6.518 4116 4116 B 66 SER HBx B 66 SER H 1.0 1.992 6.518 4117 4117 A 66 SER HBy A 66 SER H 1.0 1.968 5.014 4118 4118 B 66 SER HBy B 66 SER H 1.0 1.968 5.014 4119 4119 A 47 SER H A 43 ASN HA 1.0 1.998 5.752 4120 4120 B 47 SER H B 43 ASN HA 1.0 1.998 5.752 4121 4121 A 47 SER H A 44 ILE H 1.0 1.713 3.255 4122 4122 B 47 SER H B 44 ILE H 1.0 1.713 3.255 4123 4123 A 47 SER H A 47 SER HA 1.0 1.822 3.788 4124 4124 B 47 SER H B 47 SER HA 1.0 1.822 3.788 4125 4125 A 47 SER H A 48 VAL H 1.0 1.993 5.559 4126 4126 B 47 SER H B 48 VAL H 1.0 1.993 5.559 4127 4127 A 47 SER H A 47 SER HBy 1.0 1.916 4.450 4128 4128 B 47 SER H B 47 SER HBy 1.0 1.916 4.450 4129 4129 A 47 SER H A 44 ILE HD1% 1.0 1.994 6.468 4130 4130 B 47 SER H B 44 ILE HD1% 1.0 1.994 6.468 4131 4131 A 47 SER H A 45 ASN H 1.0 1.949 4.771 4132 4132 B 47 SER H B 45 ASN H 1.0 1.949 4.771 4133 4133 A 47 SER H A 47 SER HBx 1.0 1.781 3.573 4134 4134 B 47 SER H B 47 SER HBx 1.0 1.781 3.573 4135 4135 A 22 VAL HB A 24 ASP H 1.0 1.922 4.500 4136 4136 B 22 VAL HB B 24 ASP H 1.0 1.922 4.500 4137 4137 A 22 VAL HA A 24 ASP H 1.0 1.996 5.636 4138 4138 B 22 VAL HA B 24 ASP H 1.0 1.996 5.636 4139 4139 A 19 SER HBx A 19 SER H 1.0 1.999 6.209 4140 4140 B 19 SER HBx B 19 SER H 1.0 1.999 6.209 4141 4141 A 19 SER HA A 19 SER H 1.0 1.961 4.911 4142 4142 B 19 SER HA B 19 SER H 1.0 1.961 4.911 4143 4143 A 20 VAL HGy% A 19 SER H 1.0 0.000 6.000 4144 4144 B 20 VAL HGy% B 19 SER H 1.0 0.000 6.000 4145 4145 A 56 THR HG2% A 19 SER H 1.0 0.000 6.000 4146 4146 B 56 THR HG2% B 19 SER H 1.0 0.000 6.000 4147 4147 A 76 TRP HBy A 72 ASP H 1.0 1.910 4.392 4148 4148 B 76 TRP HBy B 72 ASP H 1.0 1.910 4.392 4149 4149 A 72 ASP HA A 72 ASP H 1.0 1.885 4.201 4150 4150 B 72 ASP HA B 72 ASP H 1.0 1.885 4.201 4151 4151 A 76 TRP HE1 A 72 ASP H 1.0 1.937 7.487 4152 4152 B 76 TRP HE1 B 72 ASP H 1.0 1.937 7.487 4153 4153 A 96 GLN HBx A 96 GLN HE22 1.0 1.856 8.290 4154 4154 B 96 GLN HBx B 96 GLN HE22 1.0 1.856 8.290 4155 4155 A 96 GLN HBy A 96 GLN HE22 1.0 1.953 7.279 4156 4156 B 96 GLN HBy B 96 GLN HE22 1.0 1.953 7.279 4157 4157 A 96 GLN HA A 96 GLN HE22 1.0 1.989 5.425 4158 4158 B 96 GLN HA B 96 GLN HE22 1.0 1.989 5.425 4159 4159 A 116 ALA HB% A 116 ALA H 1.0 1.814 3.750 4160 4160 B 116 ALA HB% B 116 ALA H 1.0 1.814 3.750 4161 4161 A 13 SER HA A 15 CYS H 1.0 1.989 5.397 4162 4162 B 13 SER HA B 15 CYS H 1.0 1.989 5.397 4163 4163 A 14 VAL HB A 15 CYS H 1.0 1.969 5.033 4164 4164 B 14 VAL HB B 15 CYS H 1.0 1.969 5.033 4165 4165 A 13 SER HBy A 15 CYS H 1.0 1.985 6.705 4166 4166 B 13 SER HBy B 15 CYS H 1.0 1.985 6.705 4167 4167 A 18 VAL HGx% A 58 CYS H 1.0 1.992 6.522 4168 4168 B 18 VAL HGx% B 58 CYS H 1.0 1.992 6.522 4169 4169 A 58 CYS H A 82 THR H 1.0 2.000 6.032 4170 4170 B 58 CYS H B 82 THR H 1.0 2.000 6.032 4171 4171 A 96 GLN H A 96 GLN HBx 1.0 1.710 3.244 4172 4172 B 96 GLN H B 96 GLN HBx 1.0 1.710 3.244 4173 4173 A 96 GLN H A 96 GLN HBy 1.0 1.939 4.659 4174 4174 B 96 GLN H B 96 GLN HBy 1.0 1.939 4.659 4175 4175 A 74 LYS HEx A 74 LYS H 1.0 1.937 7.483 4176 4176 B 74 LYS HEx B 74 LYS H 1.0 1.937 7.483 4177 4177 A 73 SER HBy A 74 LYS H 1.0 1.973 5.097 4178 4178 B 73 SER HBy B 74 LYS H 1.0 1.973 5.097 4179 4179 A 74 LYS HEy A 74 LYS H 1.0 1.915 7.729 4180 4180 B 74 LYS HEy B 74 LYS H 1.0 1.915 7.729 4181 4181 A 74 LYS HDx A 74 LYS H 1.0 1.976 6.904 4182 4182 B 74 LYS HDx B 74 LYS H 1.0 1.976 6.904 4183 4183 A 74 LYS HGx A 74 LYS H 1.0 1.996 6.354 4184 4184 B 74 LYS HGx B 74 LYS H 1.0 1.996 6.354 4185 4185 A 74 LYS HA A 74 LYS H 1.0 1.764 3.486 4186 4186 B 74 LYS HA B 74 LYS H 1.0 1.764 3.486 4187 4187 A 74 LYS HGy A 74 LYS H 1.0 0.000 6.000 4188 4188 B 74 LYS HGy B 74 LYS H 1.0 0.000 6.000 4189 4189 A 72 ASP HA A 74 LYS H 1.0 1.994 5.542 4190 4190 B 72 ASP HA B 74 LYS H 1.0 1.994 5.542 4191 4191 A 73 SER HA A 74 LYS H 1.0 1.940 4.676 4192 4192 B 73 SER HA B 74 LYS H 1.0 1.940 4.676 4193 4193 A 74 LYS HDy A 74 LYS H 1.0 1.987 6.643 4194 4194 B 74 LYS HDy B 74 LYS H 1.0 1.987 6.643 4195 4195 A 76 TRP H A 74 LYS H 1.0 1.990 5.438 4196 4196 B 76 TRP H B 74 LYS H 1.0 1.990 5.438 4197 4197 A 20 VAL H A 21 TRP H 1.0 1.996 5.644 4198 4198 B 20 VAL H B 21 TRP H 1.0 1.996 5.644 4199 4199 A 19 SER HBx A 20 VAL H 1.0 1.938 4.658 4200 4200 B 19 SER HBx B 20 VAL H 1.0 1.938 4.658 4201 4201 A 20 VAL H A 19 SER H 1.0 1.996 5.620 4202 4202 B 20 VAL H B 19 SER H 1.0 1.996 5.620 4203 4203 A 20 VAL H A 56 THR HA 1.0 1.988 5.380 4204 4204 B 20 VAL H B 56 THR HA 1.0 1.988 5.380 4205 4205 A 20 VAL H A 20 VAL HGx% 1.0 1.878 4.142 4206 4206 B 20 VAL H B 20 VAL HGx% 1.0 1.878 4.142 4207 4207 A 20 VAL H A 20 VAL HA 1.0 1.838 3.884 4208 4208 B 20 VAL H B 20 VAL HA 1.0 1.838 3.884 4209 4209 A 55 GLU HA A 20 VAL H 1.0 1.998 5.694 4210 4210 B 55 GLU HA B 20 VAL H 1.0 1.998 5.694 4211 4211 A 20 VAL H A 19 SER HBy 1.0 1.976 6.906 4212 4212 B 20 VAL H B 19 SER HBy 1.0 1.976 6.906 4213 4213 A 118 ARG HBy A 118 ARG H 1.0 1.991 5.489 4214 4214 B 118 ARG HBy B 118 ARG H 1.0 1.991 5.489 4215 4215 A 117 THR HB A 118 ARG H 1.0 1.537 2.611 4216 4216 B 117 THR HB B 118 ARG H 1.0 1.537 2.611 4217 4217 A 118 ARG HBx A 118 ARG H 1.0 1.872 4.104 4218 4218 B 118 ARG HBx B 118 ARG H 1.0 1.872 4.104 4219 4219 A 118 ARG HA A 118 ARG H 1.0 1.712 3.252 4220 4220 B 118 ARG HA B 118 ARG H 1.0 1.712 3.252 4221 4221 A 40 ALA HB% A 41 GLU H 1.0 1.657 3.029 4222 4222 B 40 ALA HB% B 41 GLU H 1.0 1.657 3.029 4223 4223 A 40 ALA H A 41 GLU H 1.0 1.737 3.359 4224 4224 B 40 ALA H B 41 GLU H 1.0 1.737 3.359 4225 4225 A 39 LEU HDx% A 41 GLU H 1.0 1.966 4.996 4226 4226 B 39 LEU HDx% B 41 GLU H 1.0 1.966 4.996 4227 4227 A 42 VAL H A 49 PHE HA 1.0 1.998 6.212 4228 4228 B 42 VAL H B 49 PHE HA 1.0 1.998 6.212 4229 4229 A 76 TRP HA A 115 LYS H 1.0 2.000 5.944 4230 4230 B 76 TRP HA B 115 LYS H 1.0 2.000 5.944 4231 4231 A 112 LEU HDx% A 77 ASN H 1.0 1.940 7.448 4232 4232 B 112 LEU HDx% B 77 ASN H 1.0 1.940 7.448 4233 4233 A 77 ASN H A 115 LYS HDx 1.0 1.976 6.898 4234 4234 B 77 ASN H B 115 LYS HDx 1.0 1.976 6.898 4235 4235 A 76 TRP HA A 77 ASN H 1.0 1.658 3.036 4236 4236 B 76 TRP HA B 77 ASN H 1.0 1.658 3.036 4237 4237 A 114 ARG HA A 77 ASN H 1.0 1.971 5.067 4238 4238 B 114 ARG HA B 77 ASN H 1.0 1.971 5.067 4239 4239 A 77 ASN H A 77 ASN HD21 1.0 1.985 6.717 4240 4240 B 77 ASN H B 77 ASN HD21 1.0 1.985 6.717 4241 4241 A 46 ASN H A 46 ASN HD21 1.0 1.967 7.053 4242 4242 B 46 ASN H B 46 ASN HD21 1.0 1.967 7.053 4243 4243 A 5 PRO HA A 6 VAL H 1.0 1.639 2.961 4244 4244 B 5 PRO HA B 6 VAL H 1.0 1.639 2.961 4245 4245 A 6 VAL HGx% A 6 VAL H 1.0 1.931 4.589 4246 4246 B 6 VAL HGx% B 6 VAL H 1.0 1.931 4.589 4247 4247 A 6 VAL HA A 6 VAL H 1.0 1.785 3.591 4248 4248 B 6 VAL HA B 6 VAL H 1.0 1.785 3.591 4249 4249 A 5 PRO HBx A 6 VAL H 1.0 1.974 6.938 4250 4250 B 5 PRO HBx B 6 VAL H 1.0 1.974 6.938 4251 4251 A 5 PRO HGx A 6 VAL H 1.0 1.909 4.383 4252 4252 B 5 PRO HGx B 6 VAL H 1.0 1.909 4.383 4253 4253 A 6 VAL HGy% A 6 VAL H 1.0 1.666 3.062 4254 4254 B 6 VAL HGy% B 6 VAL H 1.0 1.666 3.062 4255 4255 A 5 PRO HBy A 6 VAL H 1.0 1.996 6.382 4256 4256 B 5 PRO HBy B 6 VAL H 1.0 1.996 6.382 4257 4257 A 6 VAL HB A 6 VAL H 1.0 1.806 3.706 4258 4258 B 6 VAL HB B 6 VAL H 1.0 1.806 3.706 4259 4259 A 21 TRP HE1 A 21 TRP HZ2 1.0 1.962 4.930 4260 4260 B 21 TRP HE1 B 21 TRP HZ2 1.0 1.962 4.930 4261 4261 A 21 TRP HD1 A 21 TRP HE1 1.0 1.870 4.090 4262 4262 B 21 TRP HD1 B 21 TRP HE1 1.0 1.870 4.090 4263 4263 A 92 THR H A 92 THR HG2% 1.0 1.640 2.966 4264 4264 B 92 THR H B 92 THR HG2% 1.0 1.640 2.966 4265 4265 A 92 THR H A 91 THR HA 1.0 1.779 3.563 4266 4266 B 92 THR H B 91 THR HA 1.0 1.779 3.563 4267 4267 A 92 THR H A 92 THR HA 1.0 1.890 4.232 4268 4268 B 92 THR H B 92 THR HA 1.0 1.890 4.232 4269 4269 A 37 THR HA A 92 THR H 1.0 2.000 6.042 4270 4270 B 37 THR HA B 92 THR H 1.0 2.000 6.042 4271 4271 A 92 THR H A 92 THR HB 1.0 1.915 4.435 4272 4272 B 92 THR H B 92 THR HB 1.0 1.915 4.435 4273 4273 A 92 THR H A 38 VAL HA 1.0 1.999 5.889 4274 4274 B 92 THR H B 38 VAL HA 1.0 1.999 5.889 4275 4275 A 115 LYS HBx A 75 HIS H 1.0 1.815 8.617 4276 4276 B 115 LYS HBx B 75 HIS H 1.0 1.815 8.617 4277 4277 A 99 TRP H A 99 TRP HBx 1.0 1.996 6.368 4278 4278 B 99 TRP H B 99 TRP HBx 1.0 1.996 6.368 4279 4279 A 99 TRP H A 99 TRP HBy 1.0 1.941 4.689 4280 4280 B 99 TRP H B 99 TRP HBy 1.0 1.941 4.689 4281 4281 A 102 ILE HA A 102 ILE H 1.0 1.908 4.378 4282 4282 B 102 ILE HA B 102 ILE H 1.0 1.908 4.378 4283 4283 A 101 PHE HA A 102 ILE H 1.0 1.839 3.895 4284 4284 B 101 PHE HA B 102 ILE H 1.0 1.839 3.895 4285 4285 A 6 VAL HGx% A 7 PHE H 1.0 2.000 6.090 4286 4286 B 6 VAL HGx% B 7 PHE H 1.0 2.000 6.090 4287 4287 A 6 VAL HA A 7 PHE H 1.0 1.688 3.152 4288 4288 B 6 VAL HA B 7 PHE H 1.0 1.688 3.152 4289 4289 A 7 PHE HBy A 7 PHE H 1.0 1.934 4.614 4290 4290 B 7 PHE HBy B 7 PHE H 1.0 1.934 4.614 4291 4291 A 4 HIS HBx A 7 PHE H 1.0 1.849 3.949 4292 4292 B 4 HIS HBx B 7 PHE H 1.0 1.849 3.949 4293 4293 A 7 PHE HBx A 7 PHE H 1.0 1.938 4.662 4294 4294 B 7 PHE HBx B 7 PHE H 1.0 1.938 4.662 4295 4295 A 35 GLU HA A 35 GLU H 1.0 1.838 3.884 4296 4296 B 35 GLU HA B 35 GLU H 1.0 1.838 3.884 4297 4297 A 35 GLU H A 36 VAL H 1.0 1.998 5.728 4298 4298 B 35 GLU H B 36 VAL H 1.0 1.998 5.728 4299 4299 A 34 LYS HBy A 35 GLU H 1.0 1.424 2.284 4300 4300 B 34 LYS HBy B 35 GLU H 1.0 1.424 2.284 4301 4301 A 35 GLU HGx A 35 GLU H 1.0 1.994 5.556 4302 4302 B 35 GLU HGx B 35 GLU H 1.0 1.994 5.556 4303 4303 A 34 LYS HGx A 35 GLU H 1.0 1.989 5.417 4304 4304 B 34 LYS HGx B 35 GLU H 1.0 1.989 5.417 4305 4305 A 34 LYS HBx A 35 GLU H 1.0 1.870 4.092 4306 4306 B 34 LYS HBx B 35 GLU H 1.0 1.870 4.092 4307 4307 A 34 LYS H A 35 GLU H 1.0 2.000 6.020 4308 4308 B 34 LYS H B 35 GLU H 1.0 2.000 6.020 4309 4309 A 51 GLN HE22 A 51 GLN HG3 1.0 1.952 7.278 4310 4310 B 51 GLN HE22 B 51 GLN HG3 1.0 1.952 7.278 4311 4311 A 88 LYS H A 87 VAL HGx% 1.0 1.999 5.777 4312 4312 B 88 LYS H B 87 VAL HGx% 1.0 1.999 5.777 4313 4313 A 85 THR HA A 85 THR H 1.0 1.923 4.511 4314 4314 B 85 THR HA B 85 THR H 1.0 1.923 4.511 4315 4315 A 85 THR HB A 85 THR H 1.0 1.844 3.924 4316 4316 B 85 THR HB B 85 THR H 1.0 1.844 3.924 4317 4317 A 85 THR H A 86 PHE H 1.0 1.991 6.555 4318 4318 B 85 THR H B 86 PHE H 1.0 1.991 6.555 4319 4319 A 86 PHE HA A 85 THR H 1.0 1.998 6.196 4320 4320 B 86 PHE HA B 85 THR H 1.0 1.998 6.196 4321 4321 A 84 HIS HBx A 85 THR H 1.0 2.000 5.924 4322 4322 B 84 HIS HBx B 85 THR H 1.0 2.000 5.924 4323 4323 A 106 THR HG2% A 85 THR H 1.0 1.848 3.948 4324 4324 B 106 THR HG2% B 85 THR H 1.0 1.848 3.948 4325 4325 A 85 THR H A 104 ILE H 1.0 1.861 4.027 4326 4326 B 85 THR H B 104 ILE H 1.0 1.861 4.027 4327 4327 A 104 ILE HA A 85 THR H 1.0 1.991 5.465 4328 4328 B 104 ILE HA B 85 THR H 1.0 1.991 5.465 4329 4329 A 103 ARG HBx A 29 THR H 1.0 1.906 7.832 4330 4330 B 103 ARG HBx B 29 THR H 1.0 1.906 7.832 4331 4331 A 29 THR HA A 29 THR H 1.0 1.916 4.442 4332 4332 B 29 THR HA B 29 THR H 1.0 1.916 4.442 4333 4333 A 93 ASP HA A 94 GLU H 1.0 1.980 5.226 4334 4334 B 93 ASP HA B 94 GLU H 1.0 1.980 5.226 4335 4335 A 94 GLU H A 93 ASP H 1.0 1.942 4.696 4336 4336 B 94 GLU H B 93 ASP H 1.0 1.942 4.696 4337 4337 A 94 GLU H A 94 GLU HGy 1.0 1.805 8.695 4338 4338 B 94 GLU H B 94 GLU HGy 1.0 1.805 8.695 4339 4339 A 94 GLU HGx A 94 GLU H 1.0 1.999 6.235 4340 4340 B 94 GLU HGx B 94 GLU H 1.0 1.999 6.235 4341 4341 A 36 VAL HA A 28 ALA H 1.0 1.933 4.605 4342 4342 B 36 VAL HA B 28 ALA H 1.0 1.933 4.605 4343 4343 A 28 ALA HA A 28 ALA H 1.0 1.793 3.633 4344 4344 B 28 ALA HA B 28 ALA H 1.0 1.793 3.633 4345 4345 A 38 VAL H A 28 ALA H 1.0 1.997 5.699 4346 4346 B 38 VAL H B 28 ALA H 1.0 1.997 5.699 4347 4347 A 27 THR HB A 28 ALA H 1.0 1.808 3.712 4348 4348 B 27 THR HB B 28 ALA H 1.0 1.808 3.712 4349 4349 A 27 THR HG2% A 28 ALA H 1.0 1.938 4.648 4350 4350 B 27 THR HG2% B 28 ALA H 1.0 1.938 4.648 4351 4351 A 28 ALA HB% A 28 ALA H 1.0 1.553 2.667 4352 4352 B 28 ALA HB% B 28 ALA H 1.0 1.553 2.667 4353 4353 A 51 GLN HE22 A 51 GLN H 1.0 1.901 7.883 4354 4354 B 51 GLN HE22 B 51 GLN H 1.0 1.901 7.883 4355 4355 A 64 VAL HB A 64 VAL H 1.0 1.826 3.812 4356 4356 B 64 VAL HB B 64 VAL H 1.0 1.826 3.812 4357 4357 A 63 PRO HDy A 64 VAL H 1.0 1.994 6.432 4358 4358 B 63 PRO HDy B 64 VAL H 1.0 1.994 6.432 4359 4359 A 64 VAL HGx% A 64 VAL H 1.0 1.787 3.601 4360 4360 B 64 VAL HGx% B 64 VAL H 1.0 1.787 3.601 4361 4361 A 63 PRO HBy A 64 VAL H 1.0 1.820 3.780 4362 4362 B 63 PRO HBy B 64 VAL H 1.0 1.820 3.780 4363 4363 A 63 PRO HA A 64 VAL H 1.0 1.971 5.063 4364 4364 B 63 PRO HA B 64 VAL H 1.0 1.971 5.063 4365 4365 A 12 PHE HBx A 12 PHE H 1.0 1.885 4.193 4366 4366 B 12 PHE HBx B 12 PHE H 1.0 1.885 4.193 4367 4367 A 12 PHE HA A 12 PHE H 1.0 1.837 3.879 4368 4368 B 12 PHE HA B 12 PHE H 1.0 1.837 3.879 4369 4369 A 25 LYS HEy A 25 LYS H 1.0 1.633 9.793 4370 4370 B 25 LYS HEy B 25 LYS H 1.0 1.633 9.793 4371 4371 A 25 LYS HDx A 25 LYS H 1.0 1.958 7.200 4372 4372 B 25 LYS HDx B 25 LYS H 1.0 1.958 7.200 4373 4373 A 25 LYS H A 23 GLY HAy 1.0 1.999 5.795 4374 4374 B 25 LYS H B 23 GLY HAy 1.0 1.999 5.795 4375 4375 A 25 LYS HDy A 25 LYS H 1.0 1.998 6.256 4376 4376 B 25 LYS HDy B 25 LYS H 1.0 1.998 6.256 4377 4377 A 25 LYS HEx A 25 LYS H 1.0 1.825 8.535 4378 4378 B 25 LYS HEx B 25 LYS H 1.0 1.825 8.535 4379 4379 A 25 LYS HBx A 25 LYS H 1.0 1.725 3.307 4380 4380 B 25 LYS HBx B 25 LYS H 1.0 1.725 3.307 4381 4381 A 25 LYS HGy A 25 LYS H 1.0 1.977 6.875 4382 4382 B 25 LYS HGy B 25 LYS H 1.0 1.977 6.875 4383 4383 A 99 TRP HA A 98 ALA H 1.0 1.992 6.522 4384 4384 B 99 TRP HA B 98 ALA H 1.0 1.992 6.522 4385 4385 A 90 LEU HDx% A 98 ALA H 1.0 1.960 4.912 4386 4386 B 90 LEU HDx% B 98 ALA H 1.0 1.960 4.912 4387 4387 A 80 CYS HA A 111 VAL H 1.0 1.941 4.687 4388 4388 B 80 CYS HA B 111 VAL H 1.0 1.941 4.687 4389 4389 A 111 VAL HB A 111 VAL H 1.0 1.857 3.999 4390 4390 B 111 VAL HB B 111 VAL H 1.0 1.857 3.999 4391 4391 A 110 CYS HBx A 111 VAL H 1.0 1.964 7.110 4392 4392 B 110 CYS HBx B 111 VAL H 1.0 1.964 7.110 4393 4393 A 110 CYS HBy A 111 VAL H 1.0 1.987 6.655 4394 4394 B 110 CYS HBy B 111 VAL H 1.0 1.987 6.655 4395 4395 A 32 LYS HGx A 33 GLY H 1.0 2.000 5.944 4396 4396 B 32 LYS HGx B 33 GLY H 1.0 2.000 5.944 4397 4397 A 31 ILE HA A 33 GLY H 1.0 1.976 5.136 4398 4398 B 31 ILE HA B 33 GLY H 1.0 1.976 5.136 4399 4399 A 32 LYS HA A 33 GLY H 1.0 1.900 4.316 4400 4400 B 32 LYS HA B 33 GLY H 1.0 1.900 4.316 4401 4401 A 31 ILE HG2% A 33 GLY H 1.0 1.958 7.202 4402 4402 B 31 ILE HG2% B 33 GLY H 1.0 1.958 7.202 4403 4403 A 73 SER HBy A 76 TRP H 1.0 1.860 8.256 4404 4404 B 73 SER HBy B 76 TRP H 1.0 1.860 8.256 4405 4405 A 74 LYS HBx A 76 TRP H 1.0 1.974 6.926 4406 4406 B 74 LYS HBx B 76 TRP H 1.0 1.974 6.926 4407 4407 A 75 HIS HBy A 76 TRP H 1.0 1.991 6.527 4408 4408 B 75 HIS HBy B 76 TRP H 1.0 1.991 6.527 4409 4409 A 74 LYS HA A 76 TRP H 1.0 1.995 6.393 4410 4410 B 74 LYS HA B 76 TRP H 1.0 1.995 6.393 4411 4411 A 73 SER HA A 76 TRP H 1.0 1.938 4.652 4412 4412 B 73 SER HA B 76 TRP H 1.0 1.938 4.652 4413 4413 A 71 ILE HG2% A 76 TRP H 1.0 2.000 6.094 4414 4414 B 71 ILE HG2% B 76 TRP H 1.0 2.000 6.094 4415 4415 A 81 THR HA A 82 THR H 1.0 1.756 3.450 4416 4416 B 81 THR HA B 82 THR H 1.0 1.756 3.450 4417 4417 A 82 THR HA A 82 THR H 1.0 1.888 4.226 4418 4418 B 82 THR HA B 82 THR H 1.0 1.888 4.226 4419 4419 A 81 THR HB A 82 THR H 1.0 1.998 6.226 4420 4420 B 81 THR HB B 82 THR H 1.0 1.998 6.226 4421 4421 A 81 THR HG2% A 82 THR H 1.0 1.868 4.074 4422 4422 B 81 THR HG2% B 82 THR H 1.0 1.868 4.074 4423 4423 A 83 THR H A 82 THR H 1.0 1.984 6.746 4424 4424 B 83 THR H B 82 THR H 1.0 1.984 6.746 4425 4425 A 82 THR HG2% A 82 THR H 1.0 1.847 3.941 4426 4426 B 82 THR HG2% B 82 THR H 1.0 1.847 3.941 4427 4427 A 49 PHE HBx A 49 PHE H 1.0 1.986 6.684 4428 4428 B 49 PHE HBx B 49 PHE H 1.0 1.986 6.684 4429 4429 A 49 PHE H A 49 PHE HA 1.0 1.859 4.013 4430 4430 B 49 PHE H B 49 PHE HA 1.0 1.859 4.013 4431 4431 A 49 PHE HBy A 49 PHE H 1.0 1.881 4.173 4432 4432 B 49 PHE HBy B 49 PHE H 1.0 1.881 4.173 4433 4433 A 49 PHE H A 50 ARG H 1.0 1.994 6.424 4434 4434 B 49 PHE H B 50 ARG H 1.0 1.994 6.424 4435 4435 A 77 ASN HBx A 77 ASN HD21 1.0 1.747 3.407 4436 4436 B 77 ASN HBx B 77 ASN HD21 1.0 1.747 3.407 4437 4437 A 109 VAL HGx% A 83 THR H 1.0 1.874 4.118 4438 4438 B 109 VAL HGx% B 83 THR H 1.0 1.874 4.118 4439 4439 A 82 THR HB A 83 THR H 1.0 1.983 5.277 4440 4440 B 82 THR HB B 83 THR H 1.0 1.983 5.277 4441 4441 A 83 THR HB A 83 THR H 1.0 1.794 3.640 4442 4442 B 83 THR HB B 83 THR H 1.0 1.794 3.640 4443 4443 A 108 CYS HA A 83 THR H 1.0 1.998 5.720 4444 4444 B 108 CYS HA B 83 THR H 1.0 1.998 5.720 4445 4445 A 76 TRP HD1 A 76 TRP HE1 1.0 1.926 4.542 4446 4446 B 76 TRP HD1 B 76 TRP HE1 1.0 1.926 4.542 4447 4447 A 76 TRP HE1 A 76 TRP HH2 1.0 1.999 5.831 4448 4448 B 76 TRP HE1 B 76 TRP HH2 1.0 1.999 5.831 4449 4449 A 76 TRP HBx A 76 TRP HE1 1.0 1.999 5.833 4450 4450 B 76 TRP HBx B 76 TRP HE1 1.0 1.999 5.833 4451 4451 A 76 TRP HZ2 A 76 TRP HE1 1.0 1.847 3.945 4452 4452 B 76 TRP HZ2 B 76 TRP HE1 1.0 1.847 3.945 4453 4453 A 112 LEU HDx% A 76 TRP HE1 1.0 1.912 4.404 4454 4454 B 112 LEU HDx% B 76 TRP HE1 1.0 1.912 4.404 4455 4455 A 76 TRP HBy A 76 TRP HE1 1.0 1.999 6.129 4456 4456 B 76 TRP HBy B 76 TRP HE1 1.0 1.999 6.129 4457 4457 A 112 LEU HDy% A 76 TRP HE1 1.0 2.000 6.164 4458 4458 B 112 LEU HDy% B 76 TRP HE1 1.0 2.000 6.164 4459 4459 A 71 ILE HG2% A 76 TRP HE1 1.0 1.987 6.665 4460 4460 B 71 ILE HG2% B 76 TRP HE1 1.0 1.987 6.665 4461 4461 A 76 TRP H A 76 TRP HE1 1.0 1.896 7.922 4462 4462 B 76 TRP H B 76 TRP HE1 1.0 1.896 7.922 4463 4463 A 39 LEU H A 91 THR HA 1.0 1.973 5.091 4464 4464 B 39 LEU H B 91 THR HA 1.0 1.973 5.091 4465 4465 A 91 THR HG2% A 39 LEU H 1.0 1.966 4.980 4466 4466 B 91 THR HG2% B 39 LEU H 1.0 1.966 4.980 4467 4467 A 3 THR HA A 3 THR H 1.0 1.912 4.410 4468 4468 B 3 THR HA B 3 THR H 1.0 1.912 4.410 4469 4469 A 66 SER HA A 67 GLY H 1.0 1.961 4.909 4470 4470 B 66 SER HA B 67 GLY H 1.0 1.961 4.909 4471 4471 A 68 CYS H A 67 GLY H 1.0 1.946 4.732 4472 4472 B 68 CYS H B 67 GLY H 1.0 1.946 4.732 4473 4473 A 66 SER HBx A 67 GLY H 1.0 1.993 6.475 4474 4474 B 66 SER HBx B 67 GLY H 1.0 1.993 6.475 4475 4475 A 66 SER H A 67 GLY H 1.0 1.795 3.643 4476 4476 B 66 SER H B 67 GLY H 1.0 1.795 3.643 4477 4477 A 77 ASN H A 113 SER H 1.0 1.843 3.919 4478 4478 B 77 ASN H B 113 SER H 1.0 1.843 3.919 4479 4479 A 32 LYS HGy A 31 ILE H 1.0 1.860 8.254 4480 4480 B 32 LYS HGy B 31 ILE H 1.0 1.860 8.254 4481 4481 A 102 ILE HG2% A 31 ILE H 1.0 1.994 5.594 4482 4482 B 102 ILE HG2% B 31 ILE H 1.0 1.994 5.594 4483 4483 A 31 ILE HG1x A 31 ILE H 1.0 2.000 5.912 4484 4484 B 31 ILE HG1x B 31 ILE H 1.0 2.000 5.912 4485 4485 A 31 ILE HG1y A 31 ILE H 1.0 1.996 5.648 4486 4486 B 31 ILE HG1y B 31 ILE H 1.0 1.996 5.648 4487 4487 A 83 THR HA A 107 ALA H 1.0 1.966 4.992 4488 4488 B 83 THR HA B 107 ALA H 1.0 1.966 4.992 4489 4489 A 82 THR HG2% A 107 ALA H 1.0 1.907 4.369 4490 4490 B 82 THR HG2% B 107 ALA H 1.0 1.907 4.369 4491 4491 A 101 PHE HA A 101 PHE H 1.0 1.958 4.884 4492 4492 B 101 PHE HA B 101 PHE H 1.0 1.958 4.884 4493 4493 A 31 ILE HG2% A 101 PHE H 1.0 1.951 4.795 4494 4494 B 31 ILE HG2% B 101 PHE H 1.0 1.951 4.795 4495 4495 A 101 PHE HBy A 101 PHE H 1.0 1.883 4.179 4496 4496 B 101 PHE HBy B 101 PHE H 1.0 1.883 4.179 4497 4497 A 101 PHE HBx A 101 PHE H 1.0 1.989 6.613 4498 4498 B 101 PHE HBx B 101 PHE H 1.0 1.989 6.613 4499 4499 A 46 ASN HD21 A 46 ASN HD22 1.0 1.370 2.140 4500 4500 B 46 ASN HD21 B 46 ASN HD22 1.0 1.370 2.140 4501 4501 A 117 THR HA A 117 THR H 1.0 1.906 4.356 4502 4502 B 117 THR HA B 117 THR H 1.0 1.906 4.356 4503 4503 A 55 GLU H A 56 THR H 1.0 1.971 7.001 4504 4504 B 55 GLU H B 56 THR H 1.0 1.971 7.001 4505 4505 A 55 GLU HBy A 55 GLU H 1.0 1.877 4.135 4506 4506 B 55 GLU HBy B 55 GLU H 1.0 1.877 4.135 4507 4507 A 20 VAL HA A 55 GLU H 1.0 1.953 4.821 4508 4508 B 20 VAL HA B 55 GLU H 1.0 1.953 4.821 4509 4509 A 55 GLU HGx A 55 GLU H 1.0 1.984 6.730 4510 4510 B 55 GLU HGx B 55 GLU H 1.0 1.984 6.730 4511 4511 A 45 ASN HBy A 45 ASN HD22 1.0 1.996 5.626 4512 4512 B 45 ASN HBy B 45 ASN HD22 1.0 1.996 5.626 4513 4513 A 45 ASN HBx A 45 ASN HD22 1.0 1.932 4.588 4514 4514 B 45 ASN HBx B 45 ASN HD22 1.0 1.932 4.588 4515 4515 A 85 THR HG2% A 104 ILE H 1.0 1.860 4.022 4516 4516 B 85 THR HG2% B 104 ILE H 1.0 1.860 4.022 4517 4517 A 104 ILE HB A 104 ILE H 1.0 1.942 4.688 4518 4518 B 104 ILE HB B 104 ILE H 1.0 1.942 4.688 4519 4519 A 103 ARG HGy A 104 ILE H 1.0 2.000 5.918 4520 4520 B 103 ARG HGy B 104 ILE H 1.0 2.000 5.918 4521 4521 A 87 VAL HGy% A 104 ILE H 1.0 1.902 4.324 4522 4522 B 87 VAL HGy% B 104 ILE H 1.0 1.902 4.324 4523 4523 A 104 ILE HA A 104 ILE H 1.0 1.750 3.422 4524 4524 B 104 ILE HA B 104 ILE H 1.0 1.750 3.422 4525 4525 A 40 ALA H A 39 LEU HBx 1.0 1.975 5.135 4526 4526 B 40 ALA H B 39 LEU HBx 1.0 1.975 5.135 4527 4527 A 40 ALA H A 40 ALA HB% 1.0 1.613 2.869 4528 4528 B 40 ALA H B 40 ALA HB% 1.0 1.613 2.869 4529 4529 A 110 CYS HBy A 110 CYS H 1.0 1.992 5.488 4530 4530 B 110 CYS HBy B 110 CYS H 1.0 1.992 5.488 4531 4531 A 84 HIS HA A 106 THR H 1.0 1.954 4.826 4532 4532 B 84 HIS HA B 106 THR H 1.0 1.954 4.826 4533 4533 A 84 HIS H A 106 THR H 1.0 1.994 6.444 4534 4534 B 84 HIS H B 106 THR H 1.0 1.994 6.444 4535 4535 A 84 HIS HBx A 106 THR H 1.0 1.841 8.415 4536 4536 B 84 HIS HBx B 106 THR H 1.0 1.841 8.415 4537 4537 A 106 THR HA A 106 THR H 1.0 1.968 5.014 4538 4538 B 106 THR HA B 106 THR H 1.0 1.968 5.014 4539 4539 A 30 ASP HBy A 30 ASP H 1.0 1.852 3.974 4540 4540 B 30 ASP HBy B 30 ASP H 1.0 1.852 3.974 4541 4541 A 30 ASP HA A 30 ASP H 1.0 1.888 4.220 4542 4542 B 30 ASP HA B 30 ASP H 1.0 1.888 4.220 4543 4543 A 29 THR HA A 30 ASP H 1.0 1.590 2.788 4544 4544 B 29 THR HA B 30 ASP H 1.0 1.590 2.788 4545 4545 A 29 THR HB A 30 ASP H 1.0 1.999 5.871 4546 4546 B 29 THR HB B 30 ASP H 1.0 1.999 5.871 4547 4547 A 36 VAL HGy% A 30 ASP H 1.0 1.780 3.568 4548 4548 B 36 VAL HGy% B 30 ASP H 1.0 1.780 3.568 4549 4549 A 31 ILE H A 30 ASP H 1.0 1.943 7.409 4550 4550 B 31 ILE H B 30 ASP H 1.0 1.943 7.409 4551 4551 A 34 LYS HBx A 30 ASP H 1.0 1.690 3.160 4552 4552 B 34 LYS HBx B 30 ASP H 1.0 1.690 3.160 4553 4553 A 34 LYS H A 30 ASP H 1.0 1.859 4.023 4554 4554 B 34 LYS H B 30 ASP H 1.0 1.859 4.023 4555 4555 A 51 GLN HE21 A 51 GLN HG3 1.0 1.976 5.138 4556 4556 B 51 GLN HE21 B 51 GLN HG3 1.0 1.976 5.138 4557 4557 A 45 ASN HBy A 45 ASN HD21 1.0 1.983 6.753 4558 4558 B 45 ASN HBy B 45 ASN HD21 1.0 1.983 6.753 4559 4559 A 45 ASN HBx A 45 ASN HD21 1.0 1.999 5.781 4560 4560 B 45 ASN HBx B 45 ASN HD21 1.0 1.999 5.781 4561 4561 A 44 ILE HG2% A 45 ASN HD21 1.0 1.998 5.726 4562 4562 B 44 ILE HG2% B 45 ASN HD21 1.0 1.998 5.726 4563 4563 A 45 ASN HA A 45 ASN HD21 1.0 1.945 7.391 4564 4564 B 45 ASN HA B 45 ASN HD21 1.0 1.945 7.391 4565 4565 A 45 ASN HD22 A 45 ASN HD21 1.0 1.354 2.098 4566 4566 B 45 ASN HD22 B 45 ASN HD21 1.0 1.354 2.098 4567 4567 A 43 ASN HA A 43 ASN HD21 1.0 1.970 7.012 4568 4568 B 43 ASN HA B 43 ASN HD21 1.0 1.970 7.012 4569 4569 A 39 LEU HDx% A 43 ASN HD21 1.0 1.797 3.653 4570 4570 B 39 LEU HDx% B 43 ASN HD21 1.0 1.797 3.653 4571 4571 A 43 ASN HBy A 43 ASN HD21 1.0 1.980 5.220 4572 4572 B 43 ASN HBy B 43 ASN HD21 1.0 1.980 5.220 4573 4573 A 43 ASN HBx A 43 ASN HD21 1.0 1.779 3.561 4574 4574 B 43 ASN HBx B 43 ASN HD21 1.0 1.779 3.561 4575 4575 A 70 GLY H A 71 ILE H 1.0 1.878 4.140 4576 4576 B 70 GLY H B 71 ILE H 1.0 1.878 4.140 4577 4577 A 70 GLY HAy A 70 GLY H 1.0 1.888 4.224 4578 4578 B 70 GLY HAy B 70 GLY H 1.0 1.888 4.224 4579 4579 A 64 VAL HGx% A 70 GLY H 1.0 1.998 5.720 4580 4580 B 64 VAL HGx% B 70 GLY H 1.0 1.998 5.720 4581 4581 A 69 ARG HA A 70 GLY H 1.0 1.763 3.483 4582 4582 B 69 ARG HA B 70 GLY H 1.0 1.763 3.483 4583 4583 A 70 GLY HAx A 70 GLY H 1.0 1.949 4.779 4584 4584 B 70 GLY HAx B 70 GLY H 1.0 1.949 4.779 4585 4585 A 92 THR HG2% A 37 THR H 1.0 1.918 4.464 4586 4586 B 92 THR HG2% B 37 THR H 1.0 1.918 4.464 4587 4587 A 91 THR HA A 37 THR H 1.0 2.000 5.884 4588 4588 B 91 THR HA B 37 THR H 1.0 2.000 5.884 4589 4589 A 110 CYS HA A 80 CYS H 1.0 1.955 7.243 4590 4590 B 110 CYS HA B 80 CYS H 1.0 1.955 7.243 4591 4591 A 80 CYS HBx A 80 CYS H 1.0 1.992 6.534 4592 4592 B 80 CYS HBx B 80 CYS H 1.0 1.992 6.534 4593 4593 A 79 TYR HA A 80 CYS H 1.0 1.792 3.628 4594 4594 B 79 TYR HA B 80 CYS H 1.0 1.792 3.628 4595 4595 A 46 ASN H A 48 VAL H 1.0 1.958 7.194 4596 4596 B 46 ASN H B 48 VAL H 1.0 1.958 7.194 4597 4597 A 48 VAL HB A 48 VAL H 1.0 1.693 3.171 4598 4598 B 48 VAL HB B 48 VAL H 1.0 1.693 3.171 4599 4599 A 48 VAL HGx% A 48 VAL H 1.0 1.858 4.014 4600 4600 B 48 VAL HGx% B 48 VAL H 1.0 1.858 4.014 4601 4601 A 33 GLY HAy A 34 LYS H 1.0 1.889 4.227 4602 4602 B 33 GLY HAy B 34 LYS H 1.0 1.889 4.227 4603 4603 A 34 LYS HA A 34 LYS H 1.0 1.759 3.465 4604 4604 B 34 LYS HA B 34 LYS H 1.0 1.759 3.465 4605 4605 A 33 GLY HAx A 34 LYS H 1.0 1.923 4.505 4606 4606 B 33 GLY HAx B 34 LYS H 1.0 1.923 4.505 4607 4607 A 34 LYS HBy A 34 LYS H 1.0 1.982 5.262 4608 4608 B 34 LYS HBy B 34 LYS H 1.0 1.982 5.262 4609 4609 A 34 LYS HGx A 34 LYS H 1.0 1.902 4.330 4610 4610 B 34 LYS HGx B 34 LYS H 1.0 1.902 4.330 4611 4611 A 34 LYS HGy A 34 LYS H 1.0 1.559 2.687 4612 4612 B 34 LYS HGy B 34 LYS H 1.0 1.559 2.687 4613 4613 A 34 LYS HEx A 34 LYS H 1.0 1.874 8.142 4614 4614 B 34 LYS HEx B 34 LYS H 1.0 1.874 8.142 4615 4615 A 34 LYS HBx A 34 LYS H 1.0 1.509 2.527 4616 4616 B 34 LYS HBx B 34 LYS H 1.0 1.509 2.527 4617 4617 A 34 LYS HEy A 34 LYS H 1.0 1.909 7.797 4618 4618 B 34 LYS HEy B 34 LYS H 1.0 1.909 7.797 4619 4619 A 79 TYR H A 78 SER HBy 1.0 1.900 4.312 4620 4620 B 79 TYR H B 78 SER HBy 1.0 1.900 4.312 4621 4621 A 9 MET HE% B 118 ARG HG3 1.0 1.800 5.000 4622 4622 B 9 MET HE% A 118 ARG HG3 1.0 1.800 5.000 4623 4623 A 9 MET HE% B 118 ARG HBx 1.0 1.800 5.000 4624 4624 B 9 MET HE% A 118 ARG HBx 1.0 1.800 5.000 4625 4625 B 111 VAL HGy% A 12 PHE H 1.0 1.800 5.000 4626 4626 A 111 VAL HGy% B 12 PHE H 1.0 1.800 5.000 4627 4627 B 112 LEU HDx% A 12 PHE HDy 1.0 1.800 5.000 4628 4627 B 112 LEU HDx% A 12 PHE HD1 1.0 1.800 5.000 4629 4628 A 112 LEU HDx% B 12 PHE HD1 1.0 1.800 5.000 4630 4628 A 112 LEU HDx% B 12 PHE HDy 1.0 1.800 5.000 4631 4629 B 113 SER HA A 12 PHE HEy 1.0 1.800 5.000 4632 4629 A 12 PHE HE1 B 113 SER HA 1.0 1.800 5.000 4633 4630 A 113 SER HA B 12 PHE HEy 1.0 1.800 5.000 4634 4630 B 12 PHE HE1 A 113 SER HA 1.0 1.800 5.000 4635 4631 B 111 VAL HA A 13 SER H 1.0 1.800 5.000 4636 4632 A 111 VAL HA B 13 SER H 1.0 1.800 5.000 4637 4633 B 14 VAL HGy% A 112 LEU HDx% 1.0 1.800 5.000 4638 4634 A 14 VAL HGy% B 112 LEU HDx% 1.0 1.800 5.000 4639 4635 B 14 VAL HA A 112 LEU HDx% 1.0 1.800 5.000 4640 4636 A 14 VAL HA B 112 LEU HDx% 1.0 1.800 5.000 4641 4637 B 14 VAL HB A 71 ILE HD1% 1.0 1.800 5.000 4642 4638 A 14 VAL HB B 71 ILE HD1% 1.0 1.800 5.000 4643 4639 A 112 LEU HDy% B 14 VAL H 1.0 1.800 5.000 4644 4640 B 112 LEU HDy% A 14 VAL H 1.0 1.800 5.000 4645 4641 B 31 ILE HD1% A 21 TRP HZ2 1.0 1.800 5.000 4646 4642 A 31 ILE HD1% B 21 TRP HZ2 1.0 1.800 5.000 4647 4643 B 31 ILE HD1% A 21 TRP HH2 1.0 1.800 5.000 4648 4644 A 31 ILE HD1% B 21 TRP HH2 1.0 1.800 5.000 4649 4645 A 44 ILE HG2% B 99 TRP HZ2 1.0 1.800 5.000 4650 4646 B 44 ILE HG2% A 99 TRP HZ2 1.0 1.800 5.000 4651 4647 A 44 ILE HG2% B 99 TRP HE1 1.0 1.800 5.000 4652 4648 B 44 ILE HG2% A 99 TRP HE1 1.0 1.800 5.000 4653 4649 A 44 ILE HD1% B 99 TRP HD1 1.0 1.800 5.000 4654 4650 B 44 ILE HD1% A 99 TRP HD1 1.0 1.800 5.000 4655 4651 A 86 PHE H B 54 PHE HDy 1.0 1.800 5.000 4656 4651 B 54 PHE HD1 A 86 PHE H 1.0 1.800 5.000 4657 4652 B 86 PHE H A 54 PHE HDy 1.0 1.800 5.000 4658 4652 A 54 PHE HD1 B 86 PHE H 1.0 1.800 5.000 4659 4653 B 112 LEU HDx% A 69 ARG HA 1.0 1.800 5.000 4660 4654 A 112 LEU HDx% B 69 ARG HA 1.0 1.800 5.000 4661 4655 B 112 LEU HG A 70 GLY HAy 1.0 1.800 5.000 4662 4655 B 112 LEU HG A 70 GLY HAx 1.0 1.800 5.000 4663 4656 A 112 LEU HG B 70 GLY HAy 1.0 1.800 5.000 4664 4656 A 112 LEU HG B 70 GLY HAx 1.0 1.800 5.000 4665 4657 B 112 LEU HDx% A 70 GLY HAy 1.0 1.800 5.000 4666 4657 B 112 LEU HDx% A 70 GLY HAx 1.0 1.800 5.000 4667 4658 A 112 LEU HDx% B 70 GLY HAy 1.0 1.800 5.000 4668 4658 A 112 LEU HDx% B 70 GLY HAx 1.0 1.800 5.000 4669 4659 B 112 LEU HDx% A 70 GLY H 1.0 1.800 5.000 4670 4660 A 112 LEU HDx% B 70 GLY H 1.0 1.800 5.000 4671 4661 A 70 GLY HAy B 76 TRP HE1 1.0 1.800 5.000 4672 4661 A 70 GLY HAx B 76 TRP HE1 1.0 1.800 5.000 4673 4662 B 70 GLY HAy A 76 TRP HE1 1.0 1.800 5.000 4674 4662 B 70 GLY HAx A 76 TRP HE1 1.0 1.800 5.000 4675 4663 B 76 TRP HE1 A 70 GLY H 1.0 1.800 5.000 4676 4664 A 76 TRP HE1 B 70 GLY H 1.0 1.800 5.000 4677 4665 A 112 LEU HDx% B 71 ILE H 1.0 1.800 5.000 4678 4666 B 112 LEU HDx% A 71 ILE H 1.0 1.800 5.000 4679 4667 B 106 THR HG2% A 85 THR HA 1.0 1.800 5.000 4680 4668 A 106 THR HG2% B 85 THR HA 1.0 1.800 5.000 4681 4669 B 106 THR HG2% A 85 THR HG2% 1.0 1.800 5.000 4682 4670 A 106 THR HG2% B 85 THR HG2% 1.0 1.800 5.000 4683 4671 B 109 VAL HGx% A 107 ALA HB% 1.0 1.800 5.000 4684 4672 A 109 VAL HGx% B 107 ALA HB% 1.0 1.800 5.000 4685 4673 A 108 CYS H B 109 VAL HGx% 1.0 1.800 5.000 4686 4674 A 109 VAL HGx% B 108 CYS H 1.0 1.800 5.000 4687 4675 A 112 LEU HDx% B 71 ILE HD1% 1.0 1.800 5.000 4688 4676 B 112 LEU HDx% A 71 ILE HD1% 1.0 1.800 5.000 4689 4677 A 112 LEU HDx% A 71 ILE HD1% 1.0 1.800 5.000 4690 4678 B 112 LEU HDx% B 71 ILE HD1% 1.0 1.800 5.000 4691 4679 A 9 MET HE% A 8 HIS HBy 1.0 1.883 8.055 4692 4679 A 9 MET HE% A 7 PHE HBy 1.0 1.883 8.055 4693 4680 B 9 MET HE% B 7 PHE HBy 1.0 1.883 8.055 4694 4680 B 9 MET HE% B 8 HIS HBy 1.0 1.883 8.055 4695 4681 A 68 CYS HBx A 71 ILE HD1% 1.0 1.990 6.570 4696 4681 A 71 ILE HD1% A 76 TRP HBx 1.0 1.990 6.570 4697 4682 B 71 ILE HD1% B 76 TRP HBx 1.0 1.990 6.570 4698 4682 B 68 CYS HBx B 71 ILE HD1% 1.0 1.990 6.570 4699 4683 A 110 CYS HBx A 15 CYS HBx 1.0 1.744 9.114 4700 4683 A 108 CYS HBx A 15 CYS HBx 1.0 1.744 9.114 4701 4684 B 110 CYS HBx B 15 CYS HBx 1.0 1.744 9.114 4702 4684 B 108 CYS HBx B 15 CYS HBx 1.0 1.744 9.114 4703 4685 A 36 VAL HGx% A 93 ASP HB3 1.0 1.970 5.038 4704 4685 A 36 VAL HGx% A 30 ASP HBx 1.0 1.970 5.038 4705 4686 B 36 VAL HGx% B 93 ASP HB3 1.0 1.970 5.038 4706 4686 B 36 VAL HGx% B 30 ASP HBx 1.0 1.970 5.038 4707 4687 A 102 ILE HG1y A 91 THR HA 1.0 1.886 8.020 4708 4687 A 100 ARG HGx A 91 THR HA 1.0 1.886 8.020 4709 4688 B 102 ILE HG1y B 91 THR HA 1.0 1.886 8.020 4710 4688 B 100 ARG HGx B 91 THR HA 1.0 1.886 8.020 4711 4689 A 29 THR HA A 102 ILE HD1% 1.0 1.833 8.479 4712 4689 A 101 PHE HA A 102 ILE HD1% 1.0 1.833 8.479 4713 4690 B 101 PHE HA B 102 ILE HD1% 1.0 1.833 8.479 4714 4690 B 29 THR HA B 102 ILE HD1% 1.0 1.833 8.479 4715 4691 A 105 ASP HBy A 85 THR HG2% 1.0 1.962 7.136 4716 4691 A 54 PHE HBy A 85 THR HG2% 1.0 1.962 7.136 4717 4692 B 54 PHE HBy B 85 THR HG2% 1.0 1.962 7.136 4718 4692 B 105 ASP HBy B 85 THR HG2% 1.0 1.962 7.136 4719 4693 A 110 CYS HBx A 15 CYS HBy 1.0 1.819 8.593 4720 4693 A 108 CYS HBx A 15 CYS HBy 1.0 1.819 8.593 4721 4693 A 15 CYS HBy A 16 ASP HBy 1.0 1.819 8.593 4722 4694 B 110 CYS HBx B 15 CYS HBy 1.0 1.819 8.593 4723 4694 B 108 CYS HBx B 15 CYS HBy 1.0 1.819 8.593 4724 4694 B 15 CYS HBy B 16 ASP HBy 1.0 1.819 8.593 4725 4695 A 115 LYS HBx A 77 ASN H 1.0 1.914 7.738 4726 4695 A 115 LYS HBx A 114 ARG H 1.0 1.914 7.738 4727 4696 B 115 LYS HBx B 77 ASN H 1.0 1.914 7.738 4728 4696 B 115 LYS HBx B 114 ARG H 1.0 1.914 7.738 4729 4697 A 39 LEU HDx% A 40 ALA H 1.0 1.970 7.022 4730 4697 A 42 VAL H A 39 LEU HDx% 1.0 1.970 7.022 4731 4698 B 42 VAL H B 39 LEU HDx% 1.0 1.970 7.022 4732 4698 B 39 LEU HDx% B 40 ALA H 1.0 1.970 7.022 4733 4699 A 89 ALA HB% A 100 ARG H 1.0 1.901 4.315 4734 4699 A 98 ALA HB% A 100 ARG H 1.0 1.901 4.315 4735 4700 B 98 ALA HB% B 100 ARG H 1.0 1.901 4.315 4736 4700 B 89 ALA HB% B 100 ARG H 1.0 1.901 4.315 4737 4701 A 103 ARG HBx A 85 THR H 1.0 1.957 7.211 4738 4701 A 87 VAL HGx% A 85 THR H 1.0 1.957 7.211 4739 4702 B 103 ARG HBx B 85 THR H 1.0 1.957 7.211 4740 4702 B 87 VAL HGx% B 85 THR H 1.0 1.957 7.211 stop_ save_