data_nef_c25995_2nbv 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 2NBV stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 MET start . . 2 A 2 THR middle . . 3 A 3 THR middle . . 4 A 4 SER middle . . 5 A 5 GLY middle . false 6 A 6 ALA middle . . 7 A 7 LEU middle . . 8 A 8 PHE middle . . 9 A 9 PRO middle . false 10 A 10 SER middle . . 11 A 11 LEU middle . . 12 A 12 VAL middle . . 13 A 13 PRO middle . false 14 A 14 GLY middle . false 15 A 15 SER middle . . 16 A 16 ARG middle . . 17 A 17 GLY middle . false 18 A 18 ALA middle . . 19 A 19 SER middle . . 20 A 20 ASN middle . . 21 A 21 LYS middle . . 22 A 22 TYR middle . . 23 A 23 LEU middle . . 24 A 24 VAL middle . . 25 A 25 GLU middle . . 26 A 26 PHE middle . . 27 A 27 ARG middle . . 28 A 28 ALA middle . . 29 A 29 GLY middle . false 30 A 30 LYS middle . . 31 A 31 MET middle . . 32 A 32 SER middle . . 33 A 33 LEU middle . . 34 A 34 LYS middle . . 35 A 35 GLY middle . false 36 A 36 THR middle . . 37 A 37 THR middle . . 38 A 38 VAL middle . . 39 A 39 THR middle . . 40 A 40 PRO middle . false 41 A 41 ASP middle . . 42 A 42 LYS middle . . 43 A 43 ARG middle . . 44 A 44 LYS middle . . 45 A 45 GLY middle . false 46 A 46 LEU middle . . 47 A 47 VAL middle . . 48 A 48 TYR middle . . 49 A 49 ILE middle . . 50 A 50 GLN middle . . 51 A 51 GLN middle . . 52 A 52 THR middle . . 53 A 53 ASP middle . . 54 A 54 ASP middle . . 55 A 55 SER middle . . 56 A 56 LEU middle . . 57 A 57 ILE middle . . 58 A 58 HIS middle . . 59 A 59 PHE middle . . 60 A 60 CYS middle . . 61 A 61 TRP middle . . 62 A 62 LYS middle . . 63 A 63 ASP middle . . 64 A 64 ARG middle . . 65 A 65 THR middle . . 66 A 66 SER middle . . 67 A 67 GLY middle . false 68 A 68 ASN middle . . 69 A 69 VAL middle . . 70 A 70 GLU middle . . 71 A 71 ASP middle . . 72 A 72 ASP middle . . 73 A 73 LEU middle . . 74 A 74 ILE middle . . 75 A 75 ILE middle . . 76 A 76 PHE middle . . 77 A 77 PRO middle . false 78 A 78 ASP middle . . 79 A 79 ASP middle . . 80 A 80 CYS middle . . 81 A 81 GLU middle . . 82 A 82 PHE middle . . 83 A 83 LYS middle . . 84 A 84 ARG middle . . 85 A 85 VAL middle . . 86 A 86 PRO middle . false 87 A 87 GLN middle . . 88 A 88 CYS middle . . 89 A 89 PRO middle . false 90 A 90 SER middle . . 91 A 91 GLY middle . false 92 A 92 ARG middle . . 93 A 93 VAL middle . . 94 A 94 TYR middle . . 95 A 95 VAL middle . . 96 A 96 LEU middle . . 97 A 97 LYS middle . . 98 A 98 PHE middle . . 99 A 99 LYS middle . . 100 A 100 ALA middle . . 101 A 101 GLY middle . false 102 A 102 SER middle . . 103 A 103 LYS middle . . 104 A 104 ARG middle . . 105 A 105 LEU middle . . 106 A 106 PHE middle . . 107 A 107 PHE middle . . 108 A 108 TRP middle . . 109 A 109 MET middle . . 110 A 110 GLN middle . . 111 A 111 GLU middle . . 112 A 112 PRO middle . false 113 A 113 LYS middle . . 114 A 114 THR middle . . 115 A 115 ASP middle . . 116 A 116 GLN middle . . 117 A 117 ASP middle . . 118 A 118 GLU middle . . 119 A 119 GLU middle . . 120 A 120 HIS middle . . 121 A 121 CYS middle . . 122 A 122 ARG middle . . 123 A 123 LYS middle . . 124 A 124 VAL middle . . 125 A 125 ASN middle . . 126 A 126 GLU middle . . 127 A 127 TYR middle . . 128 A 128 LEU middle . . 129 A 129 ASN middle . . 130 A 130 ASN middle . . 131 A 131 PRO middle . false 132 A 132 PRO middle . false 133 A 133 MET middle . . 134 A 134 PRO middle . false 135 A 135 GLY middle . false 136 A 136 ALA middle . . 137 A 137 LEU middle . . 138 A 138 GLY middle . false 139 A 139 ALA middle . . 140 A 140 SER middle . . 141 A 141 GLY middle . false 142 A 142 SER middle . . 143 A 143 SER middle . . 144 A 144 GLY middle . false 145 A 145 HIS middle . . 146 A 146 GLU middle . . 147 A 147 LEU middle . . 148 A 148 SER middle . . 149 A 149 ALA middle . . 150 A 150 LEU end . . 151 B 26 ALA start . . 152 B 27 PRO middle . false 153 B 28 ALA middle . . 154 B 29 GLU middle . . 155 B 30 PRO middle . false 156 B 31 LYS middle . . 157 B 32 ILE middle . . 158 B 33 ILE middle . . 159 B 34 LYS middle . . 160 B 35 VAL middle . . 161 B 36 THR middle . . 162 B 37 VAL middle . . 163 B 38 LYS middle . . 164 B 39 THR middle . . 165 B 40 PRO middle . false 166 B 41 LYS middle . . 167 B 42 GLU middle . . 168 B 43 LYS middle . . 169 B 44 GLU middle . . 170 B 45 GLU middle . . 171 B 46 PHE middle . . 172 B 47 ALA middle . . 173 B 48 VAL middle . . 174 B 49 PRO middle . false 175 B 50 GLU middle . . 176 B 51 ASN middle . . 177 B 52 SER middle . . 178 B 53 SER middle . . 179 B 54 VAL middle . . 180 B 55 GLN middle . . 181 B 56 GLN middle . . 182 B 57 PHE middle . . 183 B 58 LYS middle . . 184 B 59 GLU middle . . 185 B 60 ALA middle . . 186 B 61 ILE middle . . 187 B 62 SER middle . . 188 B 63 LYS middle . . 189 B 64 ARG middle . . 190 B 65 PHE middle . . 191 B 66 LYS middle . . 192 B 67 SER middle . . 193 B 68 GLN middle . . 194 B 69 THR middle . . 195 B 70 ASP middle . . 196 B 71 GLN middle . . 197 B 72 LEU middle . . 198 B 73 VAL middle . . 199 B 74 LEU middle . . 200 B 75 ILE middle . . 201 B 76 PHE middle . . 202 B 77 ALA middle . . 203 B 78 GLY middle . false 204 B 79 LYS middle . . 205 B 80 ILE middle . . 206 B 81 LEU middle . . 207 B 82 LYS middle . . 208 B 83 ASP middle . . 209 B 84 GLN middle . . 210 B 85 ASP middle . . 211 B 86 THR middle . . 212 B 87 LEU middle . . 213 B 88 ILE middle . . 214 B 89 GLN middle . . 215 B 90 HIS middle . . 216 B 91 GLY middle . false 217 B 92 ILE middle . . 218 B 93 HIS middle . . 219 B 94 ASP middle . . 220 B 95 GLY middle . false 221 B 96 LEU middle . . 222 B 97 THR middle . . 223 B 98 VAL middle . . 224 B 99 HIS middle . . 225 B 100 LEU middle . . 226 B 101 VAL middle . . 227 B 102 ILE middle . . 228 B 103 LYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_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 1 MET H H 1 8.486 0.003 A 1 MET HA H 1 4.581 0.002 A 1 MET HBx H 1 2.032 0.005 A 1 MET HBy H 1 2.125 0.003 A 1 MET HE% H 1 2.077 0 A 1 MET HGy H 1 2.606 0.006 A 1 MET HGx H 1 2.549 0.005 A 1 MET C C 13 172.233 0.003 A 1 MET CA C 13 55.353 0.093 A 1 MET CB C 13 32.452 0.114 A 1 MET CE C 13 16.495 0 A 1 MET CG C 13 31.572 0.014 A 1 MET N N 15 122.158 0.067 A 2 THR H H 1 8.222 0.002 A 2 THR HA H 1 4.431 0.006 A 2 THR HB H 1 4.253 0.005 A 2 THR HG2% H 1 1.198 0 A 2 THR C C 13 173.871 0.003 A 2 THR CA C 13 61.475 0.189 A 2 THR CB C 13 69.536 0.108 A 2 THR CG2 C 13 21.14 0.082 A 2 THR N N 15 115.148 0.082 A 3 THR H H 1 8.186 0.002 A 3 THR HA H 1 4.402 0.003 A 3 THR HB H 1 4.268 0.007 A 3 THR HG2% H 1 1.195 0.001 A 3 THR C C 13 174.005 0.016 A 3 THR CA C 13 61.573 0.133 A 3 THR CB C 13 69.456 0.073 A 3 THR CG2 C 13 21.141 0.065 A 3 THR N N 15 115.813 0.053 A 4 SER H H 1 8.325 0.004 A 4 SER HA H 1 4.456 0.005 A 4 SER HBx H 1 3.882 0.006 A 4 SER HBy H 1 3.882 0.006 A 4 SER C C 13 173.695 0.004 A 4 SER CA C 13 58.346 0.104 A 4 SER CB C 13 63.576 0.131 A 4 SER N N 15 117.789 0.044 A 5 GLY H H 1 8.381 0.006 A 5 GLY HAx H 1 3.95 0.008 A 5 GLY HAy H 1 3.95 0.008 A 5 GLY C C 13 175.042 0.029 A 5 GLY CA C 13 45.054 0.104 A 5 GLY N N 15 110.937 0.068 A 6 ALA H H 1 8.049 0.003 A 6 ALA HA H 1 4.257 0.015 A 6 ALA HB% H 1 1.293 0.001 A 6 ALA C C 13 171.374 0.015 A 6 ALA CA C 13 52.025 0.093 A 6 ALA CB C 13 19.029 0.096 A 6 ALA N N 15 123.36 0.057 A 7 LEU H H 1 8.062 0.003 A 7 LEU HA H 1 4.225 0.004 A 7 LEU HBx H 1 1.347 0.006 A 7 LEU HBy H 1 1.485 0.004 A 7 LEU HDx% H 1 0.858 0.001 A 7 LEU HDy% H 1 0.792 0.002 A 7 LEU HG H 1 1.479 0.002 A 7 LEU C C 13 172.091 0.002 A 7 LEU CA C 13 54.718 0.044 A 7 LEU CB C 13 42.129 0.033 A 7 LEU CDy C 13 24.289 0.018 A 7 LEU CDx C 13 23.024 0.028 A 7 LEU CG C 13 26.528 0.03 A 7 LEU N N 15 120.798 0.043 A 8 PHE H H 1 8.08 0.004 A 8 PHE HA H 1 4.874 0.001 A 8 PHE HBx H 1 2.903 0.003 A 8 PHE HBy H 1 3.144 0.005 A 8 PHE C C 13 174.864 0 A 8 PHE CA C 13 55.081 0.055 A 8 PHE CB C 13 38.727 0.032 A 8 PHE N N 15 120.71 0.053 A 9 PRO HA H 1 4.417 0.004 A 9 PRO HBx H 1 1.913 0.002 A 9 PRO HBy H 1 2.262 0.007 A 9 PRO HDy H 1 3.7 0.004 A 9 PRO HDx H 1 3.564 0.003 A 9 PRO HGx H 1 1.971 0.001 A 9 PRO HGy H 1 1.971 0.001 A 9 PRO C C 13 171.923 0.003 A 9 PRO CA C 13 63.006 0.057 A 9 PRO CB C 13 31.631 0.058 A 9 PRO CD C 13 50.206 0.048 A 9 PRO CG C 13 26.911 0.024 A 10 SER H H 1 8.278 0.003 A 10 SER HA H 1 4.425 0.006 A 10 SER HBx H 1 3.848 0.002 A 10 SER HBy H 1 3.848 0.002 A 10 SER C C 13 174.284 0.003 A 10 SER CA C 13 58.052 0.025 A 10 SER CB C 13 63.605 0 A 10 SER N N 15 115.408 0.057 A 11 LEU H H 1 8.244 0.002 A 11 LEU HA H 1 4.382 0.002 A 11 LEU HBx H 1 1.585 0.01 A 11 LEU HBy H 1 1.585 0.01 A 11 LEU HDx% H 1 0.887 0.002 A 11 LEU HDy% H 1 0.835 0 A 11 LEU HG H 1 1.587 0 A 11 LEU C C 13 171.699 0.002 A 11 LEU CA C 13 54.708 0.057 A 11 LEU CB C 13 41.986 0.093 A 11 LEU CDy C 13 24.449 0.051 A 11 LEU CDx C 13 23.02 0.001 A 11 LEU CG C 13 26.708 0.145 A 11 LEU N N 15 124.082 0.052 A 12 VAL H H 1 8.116 0.003 A 12 VAL HA H 1 4.366 0.002 A 12 VAL HB H 1 2.042 0.003 A 12 VAL HGx% H 1 0.931 0.007 A 12 VAL C C 13 174.155 0 A 12 VAL CA C 13 59.551 0.046 A 12 VAL CB C 13 32.071 0.077 A 12 VAL CGx C 13 20.46 0.059 A 12 VAL N N 15 122.627 0.056 A 13 PRO HA H 1 4.478 0.002 A 13 PRO HBx H 1 2.004 0.008 A 13 PRO HBy H 1 2.305 0.005 A 13 PRO HDy H 1 3.601 0.002 A 13 PRO HDx H 1 3.569 0.003 A 13 PRO HGx H 1 2.037 0.003 A 13 PRO HGy H 1 2.037 0.003 A 13 PRO C C 13 171.233 0.002 A 13 PRO CA C 13 63.112 0.07 A 13 PRO CB C 13 31.709 0.062 A 13 PRO CD C 13 49.22 0.039 A 13 PRO CG C 13 26.659 0.037 A 14 GLY H H 1 8.613 0.004 A 14 GLY HAx H 1 3.979 0.018 A 14 GLY HAy H 1 3.979 0.018 A 14 GLY C C 13 174.369 0.092 A 14 GLY CA C 13 45.013 0.036 A 14 GLY N N 15 109.825 0.043 A 15 SER H H 1 8.136 0.002 A 15 SER HA H 1 4.417 0.007 A 15 SER HBx H 1 3.86 0.002 A 15 SER HBy H 1 3.86 0.002 A 15 SER C C 13 173.885 0.008 A 15 SER CA C 13 58.234 0.034 A 15 SER CB C 13 63.803 0.011 A 15 SER N N 15 115.443 0.073 A 16 ARG H H 1 8.455 0.003 A 16 ARG HA H 1 4.334 0.002 A 16 ARG HBx H 1 1.748 0.002 A 16 ARG HBy H 1 1.868 0.003 A 16 ARG HDx H 1 3.159 0.002 A 16 ARG HDy H 1 3.159 0.002 A 16 ARG HGx H 1 1.613 0.008 A 16 ARG HGy H 1 1.613 0.008 A 16 ARG C C 13 171.905 0.007 A 16 ARG CA C 13 55.989 0.06 A 16 ARG CB C 13 30.165 0.044 A 16 ARG CD C 13 42.898 0.031 A 16 ARG CG C 13 26.645 0.042 A 16 ARG N N 15 122.76 0.046 A 17 GLY H H 1 8.353 0.004 A 17 GLY HAx H 1 3.905 0 A 17 GLY HAy H 1 3.905 0 A 17 GLY C C 13 174.904 0.023 A 17 GLY CA C 13 44.957 0.069 A 17 GLY N N 15 109.771 0.057 A 18 ALA H H 1 8.151 0.004 A 18 ALA HA H 1 4.298 0.007 A 18 ALA HB% H 1 1.334 0.001 A 18 ALA C C 13 170.856 0.028 A 18 ALA CA C 13 52.155 0.061 A 18 ALA CB C 13 19.008 0.033 A 18 ALA N N 15 123.733 0.06 A 19 SER H H 1 8.275 0.002 A 19 SER HA H 1 4.328 0.003 A 19 SER HBx H 1 3.773 0.004 A 19 SER HBy H 1 3.773 0.004 A 19 SER C C 13 174.568 0.003 A 19 SER CA C 13 58.011 0.055 A 19 SER CB C 13 63.499 0.129 A 19 SER N N 15 114.784 0.057 A 20 ASN H H 1 8.173 0.002 A 20 ASN HA H 1 4.511 0.001 A 20 ASN HBx H 1 2.498 0.002 A 20 ASN HBy H 1 2.498 0.002 A 20 ASN HD2x H 1 6.801 0.004 A 20 ASN HD2y H 1 7.403 0.002 A 20 ASN C C 13 174.38 0.004 A 20 ASN CA C 13 52.705 0.065 A 20 ASN CB C 13 38.392 0.039 A 20 ASN N N 15 120.36 0.041 A 20 ASN ND2 N 15 112.498 0.106 A 21 LYS H H 1 7.99 0.002 A 21 LYS HA H 1 4.048 0.002 A 21 LYS HBx H 1 1.474 0.003 A 21 LYS HBy H 1 1.585 0.003 A 21 LYS HDx H 1 1.507 0.001 A 21 LYS HDy H 1 1.507 0.001 A 21 LYS HEx H 1 2.861 0.001 A 21 LYS HEy H 1 2.861 0.001 A 21 LYS HGx H 1 1.158 0.003 A 21 LYS HGy H 1 1.158 0.003 A 21 LYS C C 13 172.86 0.005 A 21 LYS CA C 13 55.569 0.045 A 21 LYS CB C 13 32.479 0.055 A 21 LYS CD C 13 28.497 0.032 A 21 LYS CE C 13 41.603 0 A 21 LYS CG C 13 23.926 0.026 A 21 LYS N N 15 120.793 0.058 A 22 TYR H H 1 8.167 0.004 A 22 TYR HA H 1 4.917 0.003 A 22 TYR HBx H 1 2.62 0.002 A 22 TYR HBy H 1 3.099 0 A 22 TYR C C 13 172.329 0.016 A 22 TYR CA C 13 54.594 0.077 A 22 TYR CB C 13 37.194 0.008 A 22 TYR N N 15 122.247 0.048 A 23 LEU H H 1 8.62 0.006 A 23 LEU HA H 1 3.932 0.003 A 23 LEU HBx H 1 0.449 0.008 A 23 LEU HBy H 1 1.023 0.006 A 23 LEU HDx% H 1 0.635 0.002 A 23 LEU HDy% H 1 0.565 0.001 A 23 LEU HG H 1 1.597 0.003 A 23 LEU C C 13 171.777 0.019 A 23 LEU CA C 13 56.758 0.05 A 23 LEU CB C 13 40.819 0.157 A 23 LEU CDx C 13 21.753 0.052 A 23 LEU CDy C 13 25.201 0.037 A 23 LEU CG C 13 26.282 0 A 23 LEU N N 15 123.244 0.047 A 24 VAL H H 1 7.068 0.006 A 24 VAL HA H 1 4.365 0.003 A 24 VAL HB H 1 2.083 0.005 A 24 VAL HGx% H 1 1.095 0.002 A 24 VAL HGy% H 1 0.862 0.002 A 24 VAL C C 13 176.66 0.008 A 24 VAL CA C 13 60.016 0.083 A 24 VAL CB C 13 34.361 0.119 A 24 VAL CGy C 13 22.152 0.042 A 24 VAL CGx C 13 19.959 0.045 A 24 VAL N N 15 112.394 0.042 A 25 GLU H H 1 8.125 0.003 A 25 GLU HA H 1 5.291 0.004 A 25 GLU HBx H 1 1.804 0.003 A 25 GLU HBy H 1 1.929 0.002 A 25 GLU HGy H 1 2.028 0.002 A 25 GLU HGx H 1 1.923 0.005 A 25 GLU C C 13 174.542 0.02 A 25 GLU CA C 13 54.314 0.075 A 25 GLU CB C 13 32.799 0.075 A 25 GLU CG C 13 35.102 0.05 A 25 GLU N N 15 123.276 0.071 A 26 PHE H H 1 8.358 0.002 A 26 PHE HA H 1 4.563 0.006 A 26 PHE HBx H 1 2.279 0 A 26 PHE HBy H 1 2.439 0 A 26 PHE C C 13 175.569 0 A 26 PHE CA C 13 55.958 0.037 A 26 PHE CB C 13 38.235 0.055 A 26 PHE N N 15 115.635 0.051 A 27 ARG H H 1 9.963 0.014 A 27 ARG C C 13 172.519 0.005 A 27 ARG CA C 13 56.365 0.033 A 27 ARG CB C 13 30.11 0.025 A 27 ARG N N 15 120.935 0.036 A 28 ALA H H 1 7.934 0.002 A 28 ALA HA H 1 4.688 0.003 A 28 ALA HB% H 1 1.562 0.001 A 28 ALA C C 13 172.812 0.013 A 28 ALA CA C 13 52.252 0.062 A 28 ALA CB C 13 21.898 0.036 A 28 ALA N N 15 126.264 0.021 A 29 GLY H H 1 8.87 0.003 A 29 GLY C C 13 174.984 0 A 29 GLY CA C 13 42.999 0.028 A 29 GLY N N 15 108.904 0.034 A 30 LYS H H 1 9.299 0.004 A 30 LYS HA H 1 4.694 0.003 A 30 LYS HBx H 1 1.065 0 A 30 LYS HBy H 1 1.288 0 A 30 LYS HDy H 1 0.802 0.004 A 30 LYS HDx H 1 0.694 0.004 A 30 LYS HEy H 1 2.185 0.003 A 30 LYS HEx H 1 1.835 0.003 A 30 LYS HGx H 1 -0.103 0.003 A 30 LYS HGy H 1 0.493 0.01 A 30 LYS C C 13 172.133 0.014 A 30 LYS CA C 13 55.857 0.057 A 30 LYS CB C 13 33.53 0 A 30 LYS CD C 13 28.427 0.015 A 30 LYS CE C 13 40.047 0.025 A 30 LYS CG C 13 24.508 0.021 A 30 LYS N N 15 119.216 0.075 A 31 MET H H 1 7.38 0.003 A 31 MET HA H 1 4.944 0.004 A 31 MET HBx H 1 1.668 0.006 A 31 MET HBy H 1 1.822 0.003 A 31 MET HE% H 1 1.597 0 A 31 MET HGx H 1 2.21 0.005 A 31 MET HGy H 1 2.263 0.004 A 31 MET C C 13 174.228 0.01 A 31 MET CA C 13 53.733 0.102 A 31 MET CB C 13 35.255 0.065 A 31 MET CE C 13 17.725 0 A 31 MET CG C 13 32.115 0.019 A 31 MET N N 15 115.539 0.044 A 32 SER H H 1 8.668 0.004 A 32 SER HA H 1 4.709 0.007 A 32 SER HBx H 1 3.732 0.003 A 32 SER HBy H 1 3.732 0.003 A 32 SER C C 13 176.197 0.019 A 32 SER CA C 13 56.609 0.059 A 32 SER CB C 13 64.77 0.1 A 32 SER N N 15 116.681 0.049 A 33 LEU H H 1 8.519 0.003 A 33 LEU HA H 1 4.625 0.003 A 33 LEU HBx H 1 1.071 0.008 A 33 LEU HBy H 1 1.472 0.005 A 33 LEU HDx% H 1 0.689 0.003 A 33 LEU HDy% H 1 0.525 0.005 A 33 LEU HG H 1 1.233 0.005 A 33 LEU C C 13 172.724 0.007 A 33 LEU CA C 13 54.165 0.061 A 33 LEU CB C 13 42.969 0.127 A 33 LEU CDy C 13 24.942 0.028 A 33 LEU CDx C 13 23.67 0.031 A 33 LEU CG C 13 27.171 0.029 A 33 LEU N N 15 126.101 0.045 A 34 LYS H H 1 8.314 0.002 A 34 LYS HA H 1 4.432 0.004 A 34 LYS HBx H 1 1.602 0.004 A 34 LYS HBy H 1 1.71 0.002 A 34 LYS HDx H 1 1.638 0.003 A 34 LYS HDy H 1 1.638 0.003 A 34 LYS HEx H 1 2.934 0.001 A 34 LYS HEy H 1 2.934 0.001 A 34 LYS HGy H 1 1.332 0.004 A 34 LYS HGx H 1 1.259 0.003 A 34 LYS C C 13 172.385 0.017 A 34 LYS CA C 13 55.093 0.06 A 34 LYS CB C 13 32.873 0.08 A 34 LYS CD C 13 28.702 0.088 A 34 LYS CE C 13 41.675 0.048 A 34 LYS CG C 13 24.154 0.03 A 34 LYS N N 15 127.511 0.045 A 35 GLY H H 1 8.919 0.013 A 35 GLY HAx H 1 3.638 0 A 35 GLY HAy H 1 4.13 0.001 A 35 GLY C C 13 174.126 0 A 35 GLY CA C 13 46.692 0.04 A 35 GLY N N 15 116.88 0.035 A 36 THR H H 1 8.677 0.003 A 36 THR HA H 1 4.311 0.005 A 36 THR HB H 1 4.511 0.004 A 36 THR HG2% H 1 1.153 0.002 A 36 THR C C 13 174.269 0.061 A 36 THR CA C 13 61.125 0.139 A 36 THR CB C 13 68.606 0.116 A 36 THR CG2 C 13 21.118 0.077 A 36 THR N N 15 117.492 0.092 A 37 THR H H 1 8.098 0.005 A 37 THR HA H 1 4.396 0.006 A 37 THR HB H 1 4.143 0.003 A 37 THR HG2% H 1 1.098 0.001 A 37 THR C C 13 174.97 0 A 37 THR CA C 13 61.645 0.101 A 37 THR CB C 13 69.902 0.034 A 37 THR CG2 C 13 21.038 0.038 A 37 THR N N 15 118.649 0.076 A 38 VAL HA H 1 4.507 0.002 A 38 VAL HB H 1 1.663 0.004 A 38 VAL HGx% H 1 0.544 0.003 A 38 VAL HGy% H 1 0.291 0.005 A 38 VAL C C 13 173.212 0 A 38 VAL CA C 13 60.599 0.069 A 38 VAL CB C 13 32.473 0.009 A 38 VAL CGx C 13 19.542 0.038 A 38 VAL CGy C 13 21.317 0.027 A 39 THR H H 1 8.676 0.003 A 39 THR HA H 1 4.726 0.001 A 39 THR HB H 1 3.911 0.002 A 39 THR HG2% H 1 1.108 0.003 A 39 THR C C 13 176.241 0 A 39 THR CA C 13 58.617 0.102 A 39 THR CB C 13 70.659 0.04 A 39 THR CG2 C 13 20.349 0.071 A 39 THR N N 15 120.864 0.023 A 40 PRO HA H 1 4.389 0.005 A 40 PRO HBx H 1 1.032 0.002 A 40 PRO HBy H 1 1.245 0.003 A 40 PRO HDx H 1 3.479 0.006 A 40 PRO HDy H 1 3.709 0.003 A 40 PRO HGx H 1 1.452 0.01 A 40 PRO HGy H 1 1.789 0.005 A 40 PRO C C 13 172.768 0 A 40 PRO CA C 13 63.432 0.057 A 40 PRO CB C 13 30.521 0.04 A 40 PRO CD C 13 50.812 0.1 A 40 PRO CG C 13 26.523 0.047 A 41 ASP H H 1 8.792 0.004 A 41 ASP HA H 1 4.804 0.007 A 41 ASP HBx H 1 2.379 0 A 41 ASP HBy H 1 3.122 0 A 41 ASP C C 13 170.763 0 A 41 ASP CA C 13 53.246 0.056 A 41 ASP CB C 13 41.612 0.049 A 41 ASP N N 15 125.951 0.038 A 42 LYS H H 1 8.748 0.007 A 42 LYS HA H 1 4.525 0.007 A 42 LYS HBx H 1 1.93 0.006 A 42 LYS HBy H 1 2.112 0.003 A 42 LYS HDx H 1 1.729 0.002 A 42 LYS HDy H 1 1.729 0.002 A 42 LYS HEx H 1 3.02 0.004 A 42 LYS HEy H 1 3.02 0.004 A 42 LYS HGx H 1 1.533 0.004 A 42 LYS HGy H 1 1.533 0.004 A 42 LYS C C 13 171.376 0.029 A 42 LYS CA C 13 57.498 0.132 A 42 LYS CB C 13 32.164 0.053 A 42 LYS CD C 13 28.391 0 A 42 LYS CE C 13 41.635 0.011 A 42 LYS CG C 13 24.56 0.034 A 42 LYS N N 15 124.558 0.024 A 43 ARG H H 1 8.38 0.004 A 43 ARG C C 13 170.2 0.025 A 43 ARG CA C 13 57.753 0.028 A 43 ARG CB C 13 29.961 0 A 43 ARG N N 15 119.615 0.055 A 44 LYS H H 1 8.706 0.005 A 44 LYS HA H 1 4.409 0 A 44 LYS HBx H 1 1.544 0 A 44 LYS HBy H 1 1.715 0 A 44 LYS HDx H 1 1.645 0 A 44 LYS HDy H 1 1.645 0 A 44 LYS HEx H 1 3.033 0.002 A 44 LYS HEy H 1 3.033 0.002 A 44 LYS C C 13 171.983 0.013 A 44 LYS CA C 13 56.209 0.018 A 44 LYS CB C 13 32.212 0.073 A 44 LYS CD C 13 28.924 0 A 44 LYS CE C 13 41.758 0 A 44 LYS N N 15 123.413 0.031 A 45 GLY H H 1 8.885 0.008 A 45 GLY HAx H 1 4.136 0.008 A 45 GLY HAy H 1 4.874 0.022 A 45 GLY C C 13 174.529 0.013 A 45 GLY CA C 13 44.854 0.029 A 45 GLY N N 15 112.736 0.031 A 46 LEU H H 1 8.02 0.003 A 46 LEU HA H 1 4.657 0.005 A 46 LEU HBx H 1 0.776 0.009 A 46 LEU HBy H 1 1.416 0.006 A 46 LEU HDx% H 1 0.608 0.014 A 46 LEU HDy% H 1 0.569 0.004 A 46 LEU HG H 1 1.123 0.004 A 46 LEU C C 13 173.994 0 A 46 LEU CA C 13 53.739 0.062 A 46 LEU CB C 13 47.228 0.208 A 46 LEU CDx C 13 23.929 0.013 A 46 LEU CDy C 13 25.218 0.016 A 46 LEU CG C 13 25.957 0.022 A 46 LEU N N 15 124.418 0.083 A 47 VAL H H 1 8.434 0.005 A 47 VAL HA H 1 4.394 0.007 A 47 VAL HB H 1 0.022 0.006 A 47 VAL HGx% H 1 0.304 0.002 A 47 VAL HGy% H 1 -0.525 0.003 A 47 VAL C C 13 174.121 0.012 A 47 VAL CA C 13 59.569 0.056 A 47 VAL CB C 13 31.452 0.14 A 47 VAL CGy C 13 23.717 0.015 A 47 VAL CGx C 13 21.538 0.009 A 47 VAL N N 15 125.787 0.031 A 48 TYR H H 1 7.697 0.004 A 48 TYR HA H 1 4.738 0.001 A 48 TYR HBx H 1 2.165 0 A 48 TYR HBy H 1 2.335 0 A 48 TYR C C 13 176.625 0.002 A 48 TYR CA C 13 54.825 0.064 A 48 TYR CB C 13 40.005 0.048 A 48 TYR N N 15 118.657 0.032 A 49 ILE H H 1 7.622 0.005 A 49 ILE HA H 1 5.161 0.004 A 49 ILE HB H 1 1.42 0.007 A 49 ILE HD1% H 1 0.796 0.003 A 49 ILE HG1y H 1 1.22 0.001 A 49 ILE HG1x H 1 0.97 0.001 A 49 ILE HG2% H 1 0.763 0.002 A 49 ILE C C 13 173.856 0.011 A 49 ILE CA C 13 57.704 0.061 A 49 ILE CB C 13 39.236 0.139 A 49 ILE CD1 C 13 14.306 0.019 A 49 ILE CG2 C 13 17.741 0.01 A 49 ILE N N 15 116.493 0.036 A 50 GLN H H 1 9.031 0.004 A 50 GLN HA H 1 5.034 0.007 A 50 GLN HBx H 1 1.916 0.004 A 50 GLN HBy H 1 2.321 0.005 A 50 GLN HE2x H 1 6.744 0 A 50 GLN HE2y H 1 7.219 0 A 50 GLN HGx H 1 1.971 0.002 A 50 GLN HGy H 1 1.971 0.002 A 50 GLN C C 13 175.58 0.005 A 50 GLN CA C 13 52.95 0.075 A 50 GLN CB C 13 32.902 0.091 A 50 GLN CG C 13 33.039 0 A 50 GLN N N 15 127.459 0.028 A 50 GLN NE2 N 15 110.347 0.001 A 51 GLN H H 1 9.141 0.006 A 51 GLN HA H 1 5.73 0.007 A 51 GLN HBx H 1 1.522 0.013 A 51 GLN HBy H 1 2.143 0.059 A 51 GLN HE2x H 1 7.054 0 A 51 GLN HE2y H 1 7.4 0 A 51 GLN HGy H 1 2.353 0 A 51 GLN HGx H 1 2.136 0.052 A 51 GLN C C 13 171.894 0.012 A 51 GLN CA C 13 53.346 0.079 A 51 GLN CB C 13 30.27 0.188 A 51 GLN CG C 13 33.199 0.048 A 51 GLN N N 15 127.876 0.022 A 51 GLN NE2 N 15 110.141 0.005 A 52 THR H H 1 9.081 0.006 A 52 THR HA H 1 4.425 0.007 A 52 THR HB H 1 4.596 0.001 A 52 THR HG2% H 1 0.81 0.005 A 52 THR C C 13 171.583 0.038 A 52 THR CA C 13 61.312 0.086 A 52 THR CB C 13 69.164 0.095 A 52 THR CG2 C 13 22.968 0.066 A 52 THR N N 15 118.431 0.054 A 53 ASP H H 1 8.798 0.004 A 53 ASP HA H 1 4.332 0.001 A 53 ASP HBx H 1 2.72 0.004 A 53 ASP HBy H 1 2.72 0.004 A 53 ASP C C 13 172.957 0.012 A 53 ASP CA C 13 57 0.086 A 53 ASP CB C 13 39.711 0.091 A 53 ASP N N 15 120.56 0.039 A 54 ASP H H 1 7.894 0.005 A 54 ASP HA H 1 4.475 0.002 A 54 ASP HBx H 1 2.656 0.002 A 54 ASP HBy H 1 3.101 0 A 54 ASP C C 13 172.296 0.009 A 54 ASP CA C 13 53.188 0.114 A 54 ASP CB C 13 39.644 0.033 A 54 ASP N N 15 118.463 0.045 A 55 SER H H 1 8.46 0.003 A 55 SER HA H 1 4.016 0.007 A 55 SER HBx H 1 4.322 0.004 A 55 SER HBy H 1 4.322 0.004 A 55 SER C C 13 175.007 0 A 55 SER CA C 13 61.295 0.062 A 55 SER CB C 13 62.624 0.024 A 55 SER N N 15 112.231 0.081 A 56 LEU H H 1 7.954 0.002 A 56 LEU HA H 1 4.148 0.01 A 56 LEU HBx H 1 0.957 0.002 A 56 LEU HBy H 1 1.8 0.003 A 56 LEU HDx% H 1 0.879 0.003 A 56 LEU HDy% H 1 0.828 0.003 A 56 LEU HG H 1 1.409 0.002 A 56 LEU C C 13 173.803 0.046 A 56 LEU CA C 13 54.942 0.083 A 56 LEU CB C 13 40.565 0.148 A 56 LEU CDy C 13 25.113 0 A 56 LEU CDx C 13 22.187 0.009 A 56 LEU CG C 13 26.668 0 A 56 LEU N N 15 123.546 0.053 A 57 ILE H H 1 8.364 0.006 A 57 ILE HA H 1 4.55 0.007 A 57 ILE HB H 1 2.189 0.006 A 57 ILE HD1% H 1 0.671 0.009 A 57 ILE HG1y H 1 1.692 0 A 57 ILE HG1x H 1 1.55 0.004 A 57 ILE HG2% H 1 0.69 0.004 A 57 ILE C C 13 174.271 0 A 57 ILE CA C 13 57.623 0.133 A 57 ILE CB C 13 35.836 0.07 A 57 ILE CD1 C 13 9.47 0.039 A 57 ILE CG1 C 13 25.467 0.002 A 57 ILE CG2 C 13 17.191 0.016 A 57 ILE N N 15 121.597 0.029 A 58 HIS H H 1 8.989 0.002 A 58 HIS HA H 1 5.297 0.002 A 58 HIS HBx H 1 2.879 0.006 A 58 HIS HBy H 1 2.879 0.006 A 58 HIS C C 13 174.993 0.002 A 58 HIS CA C 13 52.605 0.074 A 58 HIS CB C 13 29.845 0.105 A 58 HIS N N 15 123.186 0.02 A 59 PHE H H 1 9.634 0.003 A 59 PHE HA H 1 4.532 0.005 A 59 PHE HBx H 1 2.401 0.005 A 59 PHE HBy H 1 3.181 0.001 A 59 PHE C C 13 174.248 0 A 59 PHE CA C 13 56.997 0.04 A 59 PHE CB C 13 41.491 0.045 A 59 PHE N N 15 126.85 0.032 A 60 CYS H H 1 8.152 0.003 A 60 CYS HA H 1 5.225 0.003 A 60 CYS HBx H 1 0.415 0.002 A 60 CYS HBy H 1 2.083 0.002 A 60 CYS C C 13 176.438 0.001 A 60 CYS CA C 13 55.13 0.093 A 60 CYS CB C 13 31.447 0.193 A 60 CYS N N 15 125.232 0.03 A 61 TRP H H 1 8.255 0.006 A 61 TRP HA H 1 5.18 0 A 61 TRP HBx H 1 2.756 0 A 61 TRP HBy H 1 3.875 0 A 61 TRP HE1 H 1 10.121 0 A 61 TRP C C 13 173.765 0 A 61 TRP CA C 13 57.261 0.08 A 61 TRP CB C 13 31.945 0.144 A 61 TRP N N 15 118.31 0.037 A 61 TRP NE1 N 15 126.949 0 A 62 LYS H H 1 8.323 0.003 A 62 LYS HA H 1 4.828 0.004 A 62 LYS HBx H 1 1.408 0.007 A 62 LYS HBy H 1 1.408 0.007 A 62 LYS HDx H 1 1.385 0.004 A 62 LYS HDy H 1 1.385 0.004 A 62 LYS HEx H 1 2.591 0.001 A 62 LYS HEy H 1 2.639 0.002 A 62 LYS HGy H 1 0.86 0.003 A 62 LYS HGx H 1 0.767 0.004 A 62 LYS C C 13 176.776 0.024 A 62 LYS CA C 13 52.207 0.079 A 62 LYS CB C 13 37.309 0.169 A 62 LYS CD C 13 29.272 0.009 A 62 LYS CE C 13 41.391 0.031 A 62 LYS CG C 13 23.573 0.088 A 62 LYS N N 15 126.824 0.03 A 63 ASP H H 1 7.715 0.007 A 63 ASP HA H 1 4.017 0.002 A 63 ASP HBx H 1 2.579 0.002 A 63 ASP HBy H 1 3.01 0.014 A 63 ASP C C 13 171.146 0 A 63 ASP CA C 13 52.725 0.051 A 63 ASP CB C 13 41.702 0.057 A 63 ASP N N 15 123.17 0.031 A 64 ARG H H 1 8.678 0.004 A 64 ARG HA H 1 3.769 0.006 A 64 ARG HBx H 1 1.357 0.008 A 64 ARG HBy H 1 1.745 0.007 A 64 ARG HDy H 1 3.123 0.005 A 64 ARG HDx H 1 2.974 0 A 64 ARG HGx H 1 1.168 0.003 A 64 ARG HGy H 1 1.389 0.006 A 64 ARG C C 13 171.075 0.013 A 64 ARG CA C 13 58.472 0.103 A 64 ARG CB C 13 30.39 0.136 A 64 ARG CD C 13 43.504 0.02 A 64 ARG CG C 13 28.624 0.067 A 64 ARG N N 15 125.405 0.016 A 65 THR H H 1 8.879 0.004 A 65 THR HA H 1 4.08 0.002 A 65 THR HB H 1 4.352 0.005 A 65 THR HG2% H 1 1.259 0.002 A 65 THR C C 13 173.303 0.015 A 65 THR CA C 13 65.026 0.042 A 65 THR CB C 13 67.696 0.112 A 65 THR CG2 C 13 21.308 0.038 A 65 THR N N 15 116.122 0.064 A 66 SER H H 1 7.918 0.01 A 66 SER HA H 1 4.405 0 A 66 SER HBx H 1 3.977 0 A 66 SER HBy H 1 3.977 0 A 66 SER C C 13 172.865 0.006 A 66 SER CA C 13 58.326 0.056 A 66 SER CB C 13 64.581 0.062 A 66 SER N N 15 115.033 0.061 A 67 GLY H H 1 8.093 0.004 A 67 GLY HAx H 1 3.532 0.003 A 67 GLY HAy H 1 4.16 0.005 A 67 GLY C C 13 175.122 0 A 67 GLY CA C 13 45.27 0.048 A 67 GLY N N 15 111.759 0.038 A 68 ASN H H 1 7.94 0.003 A 68 ASN HA H 1 4.561 0.006 A 68 ASN HBx H 1 2.719 0.002 A 68 ASN HBy H 1 2.719 0.002 A 68 ASN HD2x H 1 7.019 0.004 A 68 ASN HD2y H 1 7.635 0.001 A 68 ASN C C 13 173.837 0.006 A 68 ASN CA C 13 53.492 0.078 A 68 ASN CB C 13 38.615 0.078 A 68 ASN N N 15 118.288 0.043 A 68 ASN ND2 N 15 112.183 0.114 A 69 VAL H H 1 8.772 0.003 A 69 VAL HA H 1 4.057 0.003 A 69 VAL HB H 1 2.103 0.003 A 69 VAL HGx% H 1 1.027 0.002 A 69 VAL HGy% H 1 0.899 0.006 A 69 VAL C C 13 172.992 0.013 A 69 VAL CA C 13 62.72 0.033 A 69 VAL CB C 13 30.677 0.043 A 69 VAL CGy C 13 21.41 0.021 A 69 VAL CGx C 13 20.997 0.027 A 69 VAL N N 15 126.904 0.046 A 70 GLU H H 1 8.246 0.004 A 70 GLU HA H 1 4.468 0.003 A 70 GLU HBx H 1 2.328 0.006 A 70 GLU HBy H 1 2.444 0.001 A 70 GLU HGy H 1 2.508 0.005 A 70 GLU HGx H 1 2.35 0.002 A 70 GLU C C 13 173.396 0 A 70 GLU CA C 13 57.723 0.097 A 70 GLU CB C 13 32.107 0.134 A 70 GLU CG C 13 37.402 0.032 A 70 GLU N N 15 129.218 0.021 A 71 ASP H H 1 7.979 0.004 A 71 ASP HA H 1 5.118 0.003 A 71 ASP HBx H 1 2.472 0.002 A 71 ASP HBy H 1 2.712 0.005 A 71 ASP C C 13 175.017 0.015 A 71 ASP CA C 13 53.187 0.062 A 71 ASP CB C 13 43.544 0.024 A 71 ASP N N 15 117.071 0.047 A 72 ASP H H 1 8.429 0.005 A 72 ASP HA H 1 5.013 0.002 A 72 ASP HBx H 1 2.437 0.001 A 72 ASP HBy H 1 2.751 0.008 A 72 ASP C C 13 173.86 0 A 72 ASP CA C 13 53.834 0.086 A 72 ASP CB C 13 40.698 0.051 A 72 ASP N N 15 121.345 0.055 A 73 LEU H H 1 9.193 0.004 A 73 LEU HA H 1 4.751 0.005 A 73 LEU HBx H 1 1.534 0.004 A 73 LEU HBy H 1 1.995 0.002 A 73 LEU HDx% H 1 1.004 0.001 A 73 LEU HDy% H 1 0.979 0.003 A 73 LEU HG H 1 1.832 0.002 A 73 LEU C C 13 172.987 0.008 A 73 LEU CA C 13 53.276 0.045 A 73 LEU CB C 13 43.916 0.158 A 73 LEU CDy C 13 25.803 0.088 A 73 LEU CDx C 13 24.19 0.084 A 73 LEU CG C 13 27.3 0.023 A 73 LEU N N 15 126.398 0.057 A 74 ILE H H 1 8.246 0.002 A 74 ILE HA H 1 4.323 0.006 A 74 ILE HB H 1 1.55 0.002 A 74 ILE HD1% H 1 0.632 0.002 A 74 ILE HG1y H 1 1.215 0.002 A 74 ILE HG1x H 1 -0.028 0.002 A 74 ILE HG2% H 1 0.497 0.004 A 74 ILE C C 13 172.729 0 A 74 ILE CA C 13 60.819 0.063 A 74 ILE CB C 13 36.921 0.008 A 74 ILE CD1 C 13 12.728 0.03 A 74 ILE CG1 C 13 27.412 0.008 A 74 ILE CG2 C 13 18.394 0.017 A 74 ILE N N 15 123.951 0.03 A 75 ILE H H 1 8.069 0.012 A 75 ILE HA H 1 4.35 0.002 A 75 ILE HB H 1 1.514 0.007 A 75 ILE HD1% H 1 0.756 0.001 A 75 ILE HG1y H 1 1.384 0.006 A 75 ILE HG1x H 1 1.32 0.003 A 75 ILE HG2% H 1 0.951 0.003 A 75 ILE C C 13 173.369 0 A 75 ILE CA C 13 59.198 0.083 A 75 ILE CB C 13 40.115 0.003 A 75 ILE CD1 C 13 12.786 0.034 A 75 ILE CG1 C 13 26.691 0.035 A 75 ILE CG2 C 13 19.956 0.03 A 75 ILE N N 15 128.953 0.01 A 76 PHE H H 1 9.162 0.003 A 76 PHE HA H 1 4.931 0.003 A 76 PHE HBx H 1 3.012 0.008 A 76 PHE HBy H 1 3.146 0.028 A 76 PHE C C 13 175.163 0 A 76 PHE CA C 13 56.342 0.11 A 76 PHE CB C 13 37.432 0.065 A 76 PHE N N 15 129.669 0.029 A 77 PRO HA H 1 4.735 0.003 A 77 PRO HBx H 1 1.945 0 A 77 PRO HBy H 1 2.551 0 A 77 PRO HGy H 1 2.239 0 A 77 PRO HGx H 1 1.898 0 A 77 PRO C C 13 171.714 0.02 A 77 PRO CA C 13 64.439 0.066 A 77 PRO CB C 13 31.08 0 A 78 ASP H H 1 9.033 0.003 A 78 ASP HA H 1 4.354 0.001 A 78 ASP HBx H 1 2.909 0.009 A 78 ASP HBy H 1 2.979 0.002 A 78 ASP C C 13 172.93 0.021 A 78 ASP CA C 13 56.424 0.071 A 78 ASP CB C 13 40.296 0.115 A 78 ASP N N 15 119.022 0.032 A 79 ASP H H 1 8.209 0.005 A 79 ASP HA H 1 4.656 0.006 A 79 ASP HBx H 1 2.866 0.003 A 79 ASP HBy H 1 3.178 0.002 A 79 ASP C C 13 169.553 0.02 A 79 ASP CA C 13 57.203 0.084 A 79 ASP CB C 13 42.41 0.079 A 79 ASP N N 15 119.968 0.042 A 80 CYS H H 1 9.224 0.006 A 80 CYS HA H 1 5.307 0.005 A 80 CYS HBx H 1 1.956 0.004 A 80 CYS HBy H 1 2.155 0.002 A 80 CYS C C 13 175.517 0.008 A 80 CYS CA C 13 56.948 0.092 A 80 CYS CB C 13 32.825 0.132 A 80 CYS N N 15 115.835 0.041 A 81 GLU H H 1 8.108 0.003 A 81 GLU HA H 1 4.509 0.005 A 81 GLU HBx H 1 1.856 0.009 A 81 GLU HBy H 1 1.856 0.009 A 81 GLU HGx H 1 2.064 0.003 A 81 GLU HGy H 1 2.064 0.003 A 81 GLU C C 13 175.798 0.017 A 81 GLU CA C 13 54.562 0.052 A 81 GLU CB C 13 33.635 0.04 A 81 GLU CG C 13 35.444 0.03 A 81 GLU N N 15 116.831 0.057 A 82 PHE H H 1 9.381 0.006 A 82 PHE HA H 1 6.17 0.006 A 82 PHE HBx H 1 2.598 0 A 82 PHE HBy H 1 3.132 0.007 A 82 PHE C C 13 173.335 0.005 A 82 PHE CA C 13 55.091 0.057 A 82 PHE CB C 13 42.055 0.075 A 82 PHE N N 15 127.902 0.051 A 83 LYS H H 1 8.902 0.003 A 83 LYS HA H 1 4.799 0.007 A 83 LYS HBx H 1 1.6 0.007 A 83 LYS HBy H 1 1.745 0.006 A 83 LYS HDx H 1 1.566 0.008 A 83 LYS HDy H 1 1.566 0.008 A 83 LYS HEy H 1 2.884 0.008 A 83 LYS HEx H 1 2.795 0.004 A 83 LYS HGx H 1 1.246 0.002 A 83 LYS HGy H 1 1.246 0.002 A 83 LYS C C 13 174.985 0.007 A 83 LYS CA C 13 54.371 0.057 A 83 LYS CB C 13 36.244 0.072 A 83 LYS CD C 13 28.909 0.052 A 83 LYS CE C 13 41.572 0.033 A 83 LYS CG C 13 23.362 0.034 A 83 LYS N N 15 124.895 0.047 A 84 ARG H H 1 8.722 0.005 A 84 ARG HA H 1 3.265 0.004 A 84 ARG HBx H 1 1.448 0 A 84 ARG HBy H 1 1.505 0 A 84 ARG HDx H 1 2.994 0.006 A 84 ARG HDy H 1 3.103 0.002 A 84 ARG HGx H 1 0.971 0.005 A 84 ARG HGy H 1 1.207 0.009 A 84 ARG C C 13 172.373 0 A 84 ARG CA C 13 55.945 0.018 A 84 ARG CB C 13 30.236 0.161 A 84 ARG CD C 13 42.775 0.018 A 84 ARG CG C 13 27.323 0.065 A 84 ARG N N 15 123.81 0.047 A 85 VAL H H 1 8.217 0.014 A 85 VAL HA H 1 4.312 0.003 A 85 VAL HB H 1 1.935 0.002 A 85 VAL HGx% H 1 0.946 0.002 A 85 VAL C C 13 172.214 0 A 85 VAL CA C 13 59.553 0.084 A 85 VAL CB C 13 31.134 0 A 85 VAL CGx C 13 21.41 0.022 A 85 VAL N N 15 127.091 0.029 A 86 PRO HA H 1 4.289 0.004 A 86 PRO HBx H 1 1.947 0 A 86 PRO HBy H 1 2.231 0.004 A 86 PRO HGx H 1 1.912 0 A 86 PRO HGy H 1 2.012 0.006 A 86 PRO C C 13 171.639 0 A 86 PRO CA C 13 63.902 0.036 A 86 PRO CB C 13 31.527 0.112 A 86 PRO CG C 13 26.91 0.083 A 87 GLN H H 1 8.411 0.005 A 87 GLN HA H 1 4.206 0.004 A 87 GLN HB2 H 1 2.067 0 A 87 GLN HBx H 1 2.067 0 A 87 GLN HBy H 1 2.14 0 A 87 GLN HE2x H 1 7.002 0 A 87 GLN HE2y H 1 7.59 0 A 87 GLN HGy H 1 2.422 0.003 A 87 GLN HGx H 1 2.345 0.002 A 87 GLN C C 13 173.353 0.02 A 87 GLN CA C 13 56.596 0.065 A 87 GLN CB C 13 27.311 0.056 A 87 GLN CG C 13 33.385 0.041 A 87 GLN N N 15 115.544 0.057 A 87 GLN NE2 N 15 112.428 0.002 A 88 CYS H H 1 7.443 0.009 A 88 CYS HA H 1 4.812 0.003 A 88 CYS HBx H 1 2.776 0.005 A 88 CYS HBy H 1 3.019 0.007 A 88 CYS C C 13 174.402 0 A 88 CYS CA C 13 56.499 0.046 A 88 CYS CB C 13 27.097 0.146 A 88 CYS N N 15 119.15 0.065 A 90 SER HA H 1 4.381 0 A 90 SER HBx H 1 3.872 0.002 A 90 SER HBy H 1 3.872 0.002 A 90 SER C C 13 173.564 0 A 90 SER CA C 13 58.971 0.034 A 90 SER CB C 13 63.244 0.093 A 91 GLY H H 1 7.859 0.003 A 91 GLY HAx H 1 4.041 0 A 91 GLY HAy H 1 4.041 0 A 91 GLY C C 13 174.876 0.016 A 91 GLY CA C 13 45.251 0.028 A 91 GLY N N 15 108.818 0.054 A 92 ARG H H 1 8.526 0.005 A 92 ARG HA H 1 4.628 0 A 92 ARG C C 13 173.883 0.022 A 92 ARG CA C 13 54.987 0.082 A 92 ARG CB C 13 29.836 0 A 92 ARG N N 15 118.39 0.052 A 93 VAL H H 1 8.128 0.006 A 93 VAL HA H 1 5.148 0.004 A 93 VAL HB H 1 1.984 0.003 A 93 VAL HGx% H 1 1.124 0.002 A 93 VAL HGy% H 1 0.98 0.005 A 93 VAL C C 13 173.692 0 A 93 VAL CA C 13 62.114 0.071 A 93 VAL CB C 13 32.407 0.17 A 93 VAL CGx C 13 21.139 0.001 A 93 VAL CGy C 13 21.724 0.049 A 93 VAL N N 15 121.802 0.047 A 94 TYR H H 1 9.561 0.003 A 94 TYR HA H 1 4.811 0.001 A 94 TYR HBy H 1 2.379 0 A 94 TYR HBx H 1 1.732 0 A 94 TYR C C 13 175.517 0 A 94 TYR CA C 13 56.336 0.105 A 94 TYR CB C 13 44.045 0.081 A 94 TYR N N 15 127.635 0.042 A 95 VAL H H 1 9.228 0.005 A 95 VAL HA H 1 5.11 0.005 A 95 VAL HB H 1 1.505 0.003 A 95 VAL HGx% H 1 0.758 0.005 A 95 VAL HGy% H 1 -0.002 0.001 A 95 VAL C C 13 176.412 0.003 A 95 VAL CA C 13 56.791 0.058 A 95 VAL CB C 13 35.757 0.08 A 95 VAL CGx C 13 18.828 0.05 A 95 VAL CGy C 13 21.589 0.013 A 95 VAL N N 15 119.349 0.044 A 96 LEU H H 1 9.377 0.004 A 96 LEU HA H 1 4.962 0.005 A 96 LEU HBx H 1 1.098 0.007 A 96 LEU HBy H 1 2.15 0.012 A 96 LEU HDx% H 1 0.272 0.1 A 96 LEU HDy% H 1 -0.064 0.003 A 96 LEU HG H 1 0.803 0.004 A 96 LEU C C 13 174.617 0 A 96 LEU CA C 13 53.285 0.059 A 96 LEU CB C 13 42.935 0.148 A 96 LEU CDx C 13 22.512 0.063 A 96 LEU CDy C 13 24.467 0.026 A 96 LEU CG C 13 26.539 0.035 A 96 LEU N N 15 128.196 0.03 A 97 LYS H H 1 8.975 0.004 A 97 LYS HA H 1 4.721 0.007 A 97 LYS HBx H 1 1.555 0.007 A 97 LYS HBy H 1 1.798 0.003 A 97 LYS HDx H 1 1.635 0.002 A 97 LYS HDy H 1 1.635 0.002 A 97 LYS HEx H 1 2.857 0.004 A 97 LYS HEy H 1 2.857 0.004 A 97 LYS HGy H 1 1.27 0.007 A 97 LYS HGx H 1 1.148 0.005 A 97 LYS C C 13 172.938 0.039 A 97 LYS CA C 13 54.361 0.044 A 97 LYS CB C 13 34.769 0.179 A 97 LYS CD C 13 29.01 0 A 97 LYS CE C 13 41.613 0.013 A 97 LYS CG C 13 24.657 0.097 A 97 LYS N N 15 126.678 0.02 A 98 PHE H H 1 8.111 0.005 A 98 PHE HA H 1 4.779 0.001 A 98 PHE HBy H 1 3.229 0 A 98 PHE HBx H 1 3.113 0 A 98 PHE C C 13 172.517 0 A 98 PHE CA C 13 57.387 0.046 A 98 PHE CB C 13 38.155 0.029 A 98 PHE N N 15 126.325 0.035 A 99 LYS H H 1 8.457 0.004 A 99 LYS HA H 1 3.963 0.005 A 99 LYS HBx H 1 1.797 0.007 A 99 LYS HBy H 1 1.885 0.003 A 99 LYS HDx H 1 1.64 0.003 A 99 LYS HDy H 1 1.64 0.003 A 99 LYS HEy H 1 2.851 0.012 A 99 LYS HEx H 1 2.813 0.007 A 99 LYS HGx H 1 1.353 0.002 A 99 LYS HGy H 1 1.353 0.002 A 99 LYS C C 13 171.494 0 A 99 LYS CA C 13 58.97 0.086 A 99 LYS CB C 13 31.961 0.085 A 99 LYS CD C 13 28.812 0.111 A 99 LYS CE C 13 41.537 0.01 A 99 LYS CG C 13 25.259 0.032 A 99 LYS N N 15 123.548 0.048 A 100 ALA H H 1 8.958 0.004 A 100 ALA HA H 1 4.556 0.003 A 100 ALA HB% H 1 1.441 0.003 A 100 ALA C C 13 171.068 0.007 A 100 ALA CA C 13 51.55 0.044 A 100 ALA CB C 13 18.671 0.119 A 100 ALA N N 15 121.815 0.051 A 101 GLY H H 1 8.075 0.003 A 101 GLY HAx H 1 4.024 0 A 101 GLY HAy H 1 4.024 0 A 101 GLY C C 13 174.895 0 A 101 GLY CA C 13 45.232 0.08 A 101 GLY N N 15 108.063 0.062 A 102 SER H H 1 8.233 0 A 102 SER HA H 1 4.443 0 A 102 SER HBx H 1 3.932 0 A 102 SER HBy H 1 3.932 0 A 102 SER C C 13 173.952 0 A 102 SER CA C 13 58.177 0.032 A 102 SER CB C 13 63.619 0.032 A 102 SER N N 15 115.478 0 A 103 LYS H H 1 7.922 0.004 A 103 LYS HA H 1 4.245 0.003 A 103 LYS HBx H 1 1.419 0.006 A 103 LYS HBy H 1 1.501 0.004 A 103 LYS HDy H 1 1.158 0.003 A 103 LYS HDx H 1 1.059 0.005 A 103 LYS HEy H 1 2.543 0.003 A 103 LYS HEx H 1 2.502 0.007 A 103 LYS HGy H 1 1.284 0.006 A 103 LYS HGx H 1 0.98 0.002 A 103 LYS C C 13 172.539 0.018 A 103 LYS CA C 13 57.516 0.077 A 103 LYS CB C 13 32.06 0.102 A 103 LYS CD C 13 28.394 0.017 A 103 LYS CE C 13 41.149 0.051 A 103 LYS CG C 13 24.456 0.025 A 103 LYS N N 15 123.332 0.039 A 104 ARG H H 1 8.345 0.006 A 104 ARG HA H 1 5.155 0.005 A 104 ARG HBx H 1 1.276 0.007 A 104 ARG HBy H 1 1.604 0.003 A 104 ARG HDy H 1 3.201 0.005 A 104 ARG HDx H 1 3.101 0.002 A 104 ARG HGx H 1 1.548 0 A 104 ARG HGy H 1 1.651 0 A 104 ARG C C 13 174.367 0.007 A 104 ARG CA C 13 54.868 0.056 A 104 ARG CB C 13 33.367 0.144 A 104 ARG CD C 13 43.325 0.031 A 104 ARG CG C 13 27.053 0.084 A 104 ARG N N 15 125.285 0.021 A 105 LEU H H 1 8.318 0.003 A 105 LEU HA H 1 4.637 0.004 A 105 LEU HBx H 1 1.574 0.001 A 105 LEU HBy H 1 1.671 0.004 A 105 LEU HDx% H 1 1.016 0.002 A 105 LEU HDy% H 1 0.984 0.002 A 105 LEU HG H 1 1.666 0.001 A 105 LEU C C 13 174.894 0 A 105 LEU CA C 13 53.983 0.044 A 105 LEU CB C 13 45.125 0.2 A 105 LEU CDy C 13 25.245 0.029 A 105 LEU CDx C 13 24.219 0.032 A 105 LEU CG C 13 28.003 0.034 A 105 LEU N N 15 122.636 0.025 A 106 PHE H H 1 8.516 0.006 A 106 PHE HA H 1 5.24 0.006 A 106 PHE HBx H 1 2.718 0.005 A 106 PHE HBy H 1 2.718 0.005 A 106 PHE C C 13 173.763 0.002 A 106 PHE CA C 13 57.04 0.046 A 106 PHE CB C 13 42.31 0.032 A 106 PHE N N 15 120.126 0.04 A 107 PHE H H 1 9.512 0.003 A 107 PHE HA H 1 5.771 0.005 A 107 PHE HBx H 1 2.724 0.001 A 107 PHE HBy H 1 3.383 0.002 A 107 PHE C C 13 174.681 0 A 107 PHE CA C 13 56.402 0.1 A 107 PHE CB C 13 44.034 0.042 A 107 PHE N N 15 118.081 0.03 A 108 TRP H H 1 9.126 0.005 A 108 TRP HA H 1 6.027 0.007 A 108 TRP HBx H 1 3.247 0.006 A 108 TRP HBy H 1 3.415 0.003 A 108 TRP HE1 H 1 10.236 0 A 108 TRP C C 13 172.841 0 A 108 TRP CA C 13 52.942 0.16 A 108 TRP CB C 13 29.828 0.126 A 108 TRP N N 15 118.098 0.04 A 108 TRP NE1 N 15 129.425 0 A 109 MET H H 1 9.074 0.004 A 109 MET HA H 1 4.491 0.004 A 109 MET HBy H 1 2.671 0.005 A 109 MET HBx H 1 2.41 0 A 109 MET HE% H 1 1.253 0 A 109 MET HGx H 1 3.242 0.001 A 109 MET HGy H 1 3.242 0.001 A 109 MET C C 13 172.814 0 A 109 MET CA C 13 56.507 0.049 A 109 MET CB C 13 32.423 0.036 A 109 MET CE C 13 16.446 0 A 109 MET CG C 13 32.685 0 A 109 MET N N 15 120.862 0.026 A 110 GLN H H 1 8.313 0.004 A 110 GLN HA H 1 4.407 0 A 110 GLN C C 13 172.044 0 A 110 GLN CA C 13 53.796 0.06 A 110 GLN CB C 13 29.298 0 A 110 GLN N N 15 117.583 0.039 A 111 GLU H H 1 7.234 0.017 A 111 GLU C C 13 172.972 0 A 111 GLU CA C 13 54.85 0.006 A 111 GLU CB C 13 29.817 0 A 111 GLU N N 15 122.997 0.041 A 112 PRO HA H 1 4.381 0.001 A 112 PRO HB2 H 1 2.071 0 A 112 PRO HBx H 1 2.071 0 A 112 PRO HBy H 1 2.444 0.003 A 112 PRO HDy H 1 4.113 0 A 112 PRO HDx H 1 3.824 0 A 112 PRO HGx H 1 2.165 0.011 A 112 PRO HGy H 1 2.165 0.011 A 112 PRO C C 13 171.141 0 A 112 PRO CA C 13 64.744 0.042 A 112 PRO CB C 13 31.985 0.093 A 112 PRO CD C 13 50.302 0.029 A 112 PRO CG C 13 27.208 0.043 A 113 LYS H H 1 7.953 0.007 A 113 LYS HA H 1 4.785 0.005 A 113 LYS HBx H 1 1.901 0.012 A 113 LYS HBy H 1 2.033 0.004 A 113 LYS HDx H 1 1.745 0.007 A 113 LYS HDy H 1 1.745 0.007 A 113 LYS HEx H 1 3.043 0.008 A 113 LYS HEy H 1 3.043 0.008 A 113 LYS HGx H 1 1.533 0.006 A 113 LYS HGy H 1 1.533 0.006 A 113 LYS C C 13 171.266 0.01 A 113 LYS CA C 13 54.313 0.092 A 113 LYS CB C 13 32.891 0.12 A 113 LYS CD C 13 28.661 0.029 A 113 LYS CE C 13 41.74 0.073 A 113 LYS CG C 13 24.576 0.049 A 113 LYS N N 15 115.693 0.038 A 114 THR H H 1 8.587 0.005 A 114 THR HA H 1 4.306 0.014 A 114 THR HB H 1 4.495 0 A 114 THR HG2% H 1 1.229 0.012 A 114 THR C C 13 171.863 0.004 A 114 THR CA C 13 62.774 0.126 A 114 THR CB C 13 69.041 0.146 A 114 THR CG2 C 13 20.507 0.017 A 114 THR N N 15 113.097 0.055 A 115 ASP H H 1 8.324 0.003 A 115 ASP HA H 1 4.327 0.003 A 115 ASP HBx H 1 2.708 0.003 A 115 ASP HBy H 1 2.708 0.003 A 115 ASP C C 13 172.407 0 A 115 ASP CA C 13 56.211 0.082 A 115 ASP CB C 13 39.785 0.047 A 115 ASP N N 15 119.587 0.032 A 116 GLN H H 1 8.121 0.006 A 116 GLN HA H 1 4.407 0.006 A 116 GLN HBx H 1 1.666 0.005 A 116 GLN HBy H 1 1.78 0.002 A 116 GLN HE2x H 1 6.781 0.004 A 116 GLN HE2y H 1 7.504 0.003 A 116 GLN HGy H 1 2.207 0.005 A 116 GLN HGx H 1 2.14 0.01 A 116 GLN C C 13 173.257 0.006 A 116 GLN CA C 13 54.852 0.05 A 116 GLN CB C 13 29.041 0.123 A 116 GLN CG C 13 34.098 0.078 A 116 GLN N N 15 115.588 0.039 A 116 GLN NE2 N 15 112.57 0.122 A 117 ASP H H 1 7.666 0.005 A 117 ASP HA H 1 4.032 0.002 A 117 ASP HBx H 1 2.926 0 A 117 ASP HBy H 1 2.926 0 A 117 ASP C C 13 171.162 0.008 A 117 ASP CA C 13 58.455 0.037 A 117 ASP CB C 13 38.941 0.022 A 117 ASP N N 15 122.614 0.057 A 118 GLU H H 1 8.347 0.006 A 118 GLU HA H 1 4.127 0.005 A 118 GLU HBx H 1 2.069 0.004 A 118 GLU HBy H 1 2.069 0.004 A 118 GLU HGy H 1 2.423 0.002 A 118 GLU HGx H 1 2.317 0.005 A 118 GLU C C 13 169.491 0.003 A 118 GLU CA C 13 58.761 0.074 A 118 GLU CB C 13 28.796 0.117 A 118 GLU CG C 13 36.539 0.03 A 118 GLU N N 15 116.617 0.035 A 119 GLU H H 1 7.814 0.005 A 119 GLU HA H 1 4.09 0.083 A 119 GLU HBx H 1 1.754 0.009 A 119 GLU HBy H 1 1.944 0.027 A 119 GLU HGy H 1 2.174 0.004 A 119 GLU HGx H 1 1.917 0.004 A 119 GLU C C 13 170.245 0.01 A 119 GLU CA C 13 58.303 0.068 A 119 GLU CB C 13 28.829 0.178 A 119 GLU CG C 13 35.122 0.037 A 119 GLU N N 15 123.075 0.045 A 120 HIS H H 1 8.366 0.007 A 120 HIS HA H 1 4.195 0.003 A 120 HIS HBx H 1 1.764 0.002 A 120 HIS HBy H 1 2.53 0.004 A 120 HIS C C 13 172.113 0 A 120 HIS CA C 13 58.639 0.106 A 120 HIS CB C 13 27.989 0.052 A 120 HIS N N 15 118.611 0.082 A 121 CYS H H 1 7.836 0.006 A 121 CYS HA H 1 3.986 0.002 A 121 CYS HBx H 1 2.633 0.007 A 121 CYS HBy H 1 3.28 0.005 A 121 CYS C C 13 172.308 0.024 A 121 CYS CA C 13 61.649 0.132 A 121 CYS CB C 13 26.321 0.17 A 121 CYS N N 15 117.055 0.024 A 122 ARG H H 1 8.419 0.006 A 122 ARG HA H 1 4.204 0.004 A 122 ARG HBx H 1 2.017 0.003 A 122 ARG HBy H 1 2.017 0.003 A 122 ARG HDy H 1 3.28 0.002 A 122 ARG HDx H 1 3.21 0.005 A 122 ARG HGy H 1 1.8 0.003 A 122 ARG HGx H 1 1.597 0.004 A 122 ARG C C 13 169.05 0.005 A 122 ARG CA C 13 59.684 0.054 A 122 ARG CB C 13 29.729 0.145 A 122 ARG CD C 13 42.833 0.014 A 122 ARG CG C 13 27.182 0.066 A 122 ARG N N 15 120.309 0.035 A 123 LYS H H 1 8.482 0.008 A 123 LYS HA H 1 3.9 0.004 A 123 LYS HBx H 1 1.78 0.002 A 123 LYS HBy H 1 2.158 0.004 A 123 LYS HDx H 1 1.805 0 A 123 LYS HDy H 1 1.805 0 A 123 LYS HEx H 1 3.047 0.003 A 123 LYS HEy H 1 3.047 0.003 A 123 LYS HGy H 1 1.783 0.003 A 123 LYS HGx H 1 1.517 0.002 A 123 LYS C C 13 170.499 0.014 A 123 LYS CA C 13 58.94 0.06 A 123 LYS CB C 13 32.368 0.092 A 123 LYS CE C 13 42.044 0 A 123 LYS CG C 13 25.62 0.073 A 123 LYS N N 15 118.822 0.039 A 124 VAL H H 1 8.107 0.006 A 124 VAL HA H 1 3.454 0.002 A 124 VAL HB H 1 2.114 0.008 A 124 VAL HG1% H 1 0.754 0.001 A 124 VAL HGy% H 1 0.419 0.001 A 124 VAL C C 13 171.738 0.012 A 124 VAL CA C 13 66.777 0.062 A 124 VAL CB C 13 30.766 0.079 A 124 VAL CGy C 13 22.535 0.009 A 124 VAL CGx C 13 21.082 0.009 A 124 VAL N N 15 117.877 0.045 A 125 ASN H H 1 7.571 0.002 A 125 ASN HA H 1 4.264 0.002 A 125 ASN HBx H 1 2.859 0 A 125 ASN HBy H 1 2.859 0 A 125 ASN HD2x H 1 7.408 0 A 125 ASN HD2y H 1 8.938 0 A 125 ASN C C 13 171.491 0 A 125 ASN CA C 13 57.661 0.026 A 125 ASN CB C 13 39.526 0.048 A 125 ASN N N 15 113.782 0.036 A 125 ASN ND2 N 15 119.871 0.009 A 126 GLU H H 1 8.363 0.006 A 126 GLU HA H 1 3.985 0.004 A 126 GLU HBx H 1 1.782 0 A 126 GLU HBy H 1 1.921 0.002 A 126 GLU HGy H 1 2.166 0.006 A 126 GLU HGx H 1 1.93 0 A 126 GLU C C 13 170.241 0 A 126 GLU CA C 13 59.068 0.035 A 126 GLU CB C 13 28.862 0.126 A 126 GLU CG C 13 34.909 0.038 A 126 GLU N N 15 119.635 0.021 A 127 TYR H H 1 8.138 0.008 A 127 TYR HA H 1 4.35 0.007 A 127 TYR HBx H 1 2.737 0.012 A 127 TYR HBy H 1 2.909 0.002 A 127 TYR C C 13 172.335 0.003 A 127 TYR CA C 13 60.703 0.103 A 127 TYR CB C 13 37.749 0.059 A 127 TYR N N 15 115.854 0.023 A 128 LEU H H 1 7.887 0.003 A 128 LEU HA H 1 4.082 0.004 A 128 LEU HBx H 1 1.415 0.009 A 128 LEU HBy H 1 1.645 0.006 A 128 LEU HDx% H 1 0.654 0.002 A 128 LEU HDy% H 1 0.514 0.004 A 128 LEU HG H 1 2.185 0.004 A 128 LEU C C 13 169.993 0.024 A 128 LEU CA C 13 56.641 0.074 A 128 LEU CB C 13 40.551 0.15 A 128 LEU CDx C 13 22.066 0.025 A 128 LEU CDy C 13 25.496 0.018 A 128 LEU CG C 13 25.155 0.013 A 128 LEU N N 15 111.895 0.05 A 129 ASN H H 1 7.435 0.006 A 129 ASN HA H 1 4.972 0.002 A 129 ASN HBx H 1 2.881 0 A 129 ASN HBy H 1 2.881 0 A 129 ASN HD2x H 1 7.197 0 A 129 ASN HD2y H 1 7.659 0 A 129 ASN C C 13 174.067 0.006 A 129 ASN CA C 13 53.963 0.086 A 129 ASN CB C 13 39.868 0.045 A 129 ASN N N 15 110.823 0.047 A 129 ASN ND2 N 15 115.151 0.002 A 130 ASN H H 1 8.258 0.009 A 130 ASN HA H 1 5.088 0.004 A 130 ASN HBx H 1 2.694 0.006 A 130 ASN HBy H 1 2.814 0.005 A 130 ASN HD2x H 1 6.827 0 A 130 ASN HD2y H 1 7.629 0 A 130 ASN C C 13 178.042 0 A 130 ASN CA C 13 51.344 0.092 A 130 ASN CB C 13 38.672 0.019 A 130 ASN N N 15 119.631 0.038 A 130 ASN ND2 N 15 112.809 0.001 A 132 PRO HA H 1 4.477 0.009 A 132 PRO HBx H 1 2.043 0.005 A 132 PRO HBy H 1 2.301 0.006 A 132 PRO HDy H 1 3.825 0.005 A 132 PRO HDx H 1 3.524 0.002 A 132 PRO HGx H 1 2.099 0 A 132 PRO HGy H 1 2.099 0 A 132 PRO C C 13 172.136 0.004 A 132 PRO CA C 13 62.364 0.047 A 132 PRO CB C 13 31.342 0.093 A 132 PRO CD C 13 50.083 0.082 A 132 PRO CG C 13 27.033 0.069 A 133 MET H H 1 8.414 0.002 A 133 MET HA H 1 4.863 0.004 A 133 MET HBx H 1 1.956 0.003 A 133 MET HBy H 1 2.072 0.005 A 133 MET HE% H 1 2.132 0 A 133 MET HGy H 1 2.69 0.004 A 133 MET HGx H 1 2.6 0.003 A 133 MET C C 13 174.157 0 A 133 MET CA C 13 52.602 0.063 A 133 MET CB C 13 32.3 0.08 A 133 MET CE C 13 16.783 0 A 133 MET CG C 13 31.659 0.019 A 133 MET N N 15 121.509 0.053 A 134 PRO HA H 1 4.362 0.004 A 134 PRO HBx H 1 1.913 0.004 A 134 PRO HBy H 1 2.271 0.009 A 134 PRO HDy H 1 3.876 0.002 A 134 PRO HDx H 1 3.682 0.007 A 134 PRO HGx H 1 2.051 0.007 A 134 PRO HGy H 1 2.051 0.007 A 134 PRO C C 13 171.134 0 A 134 PRO CA C 13 63.278 0.042 A 134 PRO CB C 13 31.591 0.042 A 134 PRO CD C 13 50.627 0.034 A 134 PRO CG C 13 27.038 0.065 A 135 GLY H H 1 8.504 0.005 A 135 GLY HAx H 1 3.923 0.004 A 135 GLY HAy H 1 3.923 0.004 A 135 GLY C C 13 174.568 0.011 A 135 GLY CA C 13 45.026 0.047 A 135 GLY N N 15 109.582 0.043 A 136 ALA H H 1 8.086 0.003 A 136 ALA HA H 1 4.311 0.004 A 136 ALA HB% H 1 1.407 0.003 A 136 ALA C C 13 170.727 0 A 136 ALA CA C 13 52.343 0.022 A 136 ALA CB C 13 18.975 0.031 A 136 ALA N N 15 123.487 0.059 A 137 LEU H H 1 8.268 0.002 A 137 LEU HA H 1 4.327 0 A 137 LEU HBy H 1 1.644 0 A 137 LEU HBx H 1 0.883 0 A 137 LEU HDx% H 1 1.169 0 A 137 LEU HDy% H 1 0.602 0 A 137 LEU HG H 1 0.891 0 A 137 LEU C C 13 170.637 0.014 A 137 LEU CA C 13 55.102 0.042 A 137 LEU CB C 13 41.522 0.036 A 137 LEU CDy C 13 24.447 0 A 137 LEU CDx C 13 23.043 0 A 137 LEU CG C 13 26.63 0 A 137 LEU N N 15 120.911 0.05 A 138 GLY H H 1 8.316 0.004 A 138 GLY HAx H 1 3.926 0.005 A 138 GLY HAy H 1 3.926 0.005 A 138 GLY C C 13 174.661 0.001 A 138 GLY CA C 13 44.994 0.06 A 138 GLY N N 15 109.339 0.055 A 139 ALA H H 1 8.161 0.002 A 139 ALA HA H 1 4.349 0.008 A 139 ALA HB% H 1 1.385 0.006 A 139 ALA C C 13 170.635 0.004 A 139 ALA CA C 13 52.338 0.08 A 139 ALA CB C 13 18.953 0.038 A 139 ALA N N 15 123.78 0.077 A 140 SER H H 1 8.366 0.002 A 140 SER HA H 1 4.435 0 A 140 SER HBx H 1 3.898 0 A 140 SER HBy H 1 3.898 0 A 140 SER C C 13 173.467 0.006 A 140 SER CA C 13 58.406 0.043 A 140 SER CB C 13 63.707 0.045 A 140 SER N N 15 115.047 0.058 A 141 GLY H H 1 8.388 0.004 A 141 GLY HAx H 1 4.005 0.001 A 141 GLY HAy H 1 4.005 0.001 A 141 GLY C C 13 174.405 0.006 A 141 GLY CA C 13 45.168 0.061 A 141 GLY N N 15 110.701 0.071 A 142 SER H H 1 8.231 0.002 A 142 SER HA H 1 4.511 0.003 A 142 SER HBx H 1 3.879 0.003 A 142 SER HBy H 1 3.879 0.003 A 142 SER C C 13 173.891 0 A 142 SER CA C 13 58.095 0.033 A 142 SER CB C 13 63.81 0.058 A 142 SER N N 15 115.533 0.081 A 143 SER H H 1 8.461 0.003 A 143 SER HA H 1 4.47 0.005 A 143 SER HBx H 1 3.882 0.001 A 143 SER HBy H 1 3.882 0.001 A 143 SER C C 13 173.661 0.01 A 143 SER CA C 13 58.448 0.085 A 143 SER CB C 13 63.769 0.017 A 143 SER N N 15 117.83 0.054 A 144 GLY H H 1 8.451 0.005 A 144 GLY HAx H 1 3.931 0 A 144 GLY HAy H 1 3.931 0 A 144 GLY C C 13 174.643 0.002 A 144 GLY CA C 13 45.121 0.04 A 144 GLY N N 15 110.487 0.051 A 145 HIS H H 1 8.22 0.003 A 145 HIS HA H 1 4.665 0.003 A 145 HIS HBy H 1 3.192 0.012 A 145 HIS HBx H 1 3.068 0.002 A 145 HIS C C 13 173.819 0.003 A 145 HIS CA C 13 55.506 0.079 A 145 HIS CB C 13 29.617 0.114 A 145 HIS N N 15 118.579 0.094 A 146 GLU H H 1 8.584 0.008 A 146 GLU HA H 1 4.244 0.001 A 146 GLU HBx H 1 1.922 0.002 A 146 GLU HBy H 1 2.018 0.003 A 146 GLU HGx H 1 2.23 0.003 A 146 GLU HGy H 1 2.23 0.003 A 146 GLU C C 13 172.144 0.004 A 146 GLU CA C 13 56.564 0.091 A 146 GLU CB C 13 29.544 0.069 A 146 GLU CG C 13 35.79 0.046 A 146 GLU N N 15 121.988 0.031 A 147 LEU H H 1 8.354 0.003 A 147 LEU HA H 1 4.342 0.005 A 147 LEU HBx H 1 1.624 0.007 A 147 LEU HBy H 1 1.624 0.007 A 147 LEU HDx% H 1 0.915 0.002 A 147 LEU HDy% H 1 0.864 0.001 A 147 LEU HG H 1 1.634 0.005 A 147 LEU C C 13 171.298 0.003 A 147 LEU CA C 13 54.975 0.035 A 147 LEU CB C 13 41.75 0.171 A 147 LEU CDy C 13 24.491 0.034 A 147 LEU CDx C 13 23.033 0.013 A 147 LEU CG C 13 26.597 0.04 A 147 LEU N N 15 123.032 0.047 A 148 SER H H 1 8.218 0.003 A 148 SER HA H 1 4.406 0.001 A 148 SER HBx H 1 3.845 0.001 A 148 SER HBy H 1 3.845 0.001 A 148 SER C C 13 174.769 0.004 A 148 SER CA C 13 58.035 0.02 A 148 SER CB C 13 63.699 0.058 A 148 SER N N 15 116.267 0.072 A 149 ALA H H 1 8.25 0.003 A 149 ALA HA H 1 4.367 0.004 A 149 ALA HB% H 1 1.377 0.008 A 149 ALA C C 13 172.225 0.001 A 149 ALA CA C 13 52.072 0.043 A 149 ALA CB C 13 18.934 0.042 A 149 ALA N N 15 126.608 0.048 A 150 LEU H H 1 7.761 0.003 A 150 LEU HA H 1 4.148 0.001 A 150 LEU HBx H 1 1.566 0.005 A 150 LEU HBy H 1 1.566 0.005 A 150 LEU HDx% H 1 0.891 0.001 A 150 LEU HDy% H 1 0.849 0.003 A 150 LEU HG H 1 1.591 0.004 A 150 LEU C C 13 166.222 0 A 150 LEU CA C 13 56.351 0.082 A 150 LEU CB C 13 42.92 0.105 A 150 LEU CDy C 13 24.677 0.077 A 150 LEU CDx C 13 23.095 0.013 A 150 LEU CG C 13 26.776 0.046 A 150 LEU N N 15 126.935 0.046 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 B 39 THR H A 78 ASP HBx 1.0 1.8 6.5 2 1 A 78 ASP HBy B 39 THR H 1.0 1.8 6.5 3 2 B 41 LYS H A 78 ASP HBx 1.0 1.8 6.5 4 2 A 78 ASP HBy B 41 LYS H 1.0 1.8 6.5 5 3 A 76 PHE HE% B 77 ALA H 1.0 1.8 5.5 6 4 B 77 ALA H A 98 PHE HBy 1.0 1.8 5.5 7 4 B 77 ALA H A 98 PHE HBx 1.0 1.8 5.5 8 5 B 77 ALA H A 98 PHE HD% 1.0 1.8 5.5 9 6 B 77 ALA H A 98 PHE HE% 1.0 1.8 5.5 10 7 B 77 ALA H A 100 ALA HB% 1.0 1.8 5.5 11 8 B 78 GLY H A 73 LEU HDy% 1.0 1.8 5.5 12 8 A 73 LEU HDx% B 78 GLY H 1.0 1.8 5.5 13 9 B 78 GLY H A 75 ILE HD1% 1.0 1.8 5.5 14 10 B 78 GLY H A 75 ILE HG2% 1.0 1.8 5.5 15 11 A 76 PHE HE% B 78 GLY H 1.0 1.8 5.5 16 12 A 98 PHE HD% B 78 GLY H 1.0 1.8 5.5 17 13 A 98 PHE HE% B 78 GLY H 1.0 1.8 5.5 18 14 A 73 LEU HDy% B 79 LYS H 1.0 1.8 5.5 19 14 A 73 LEU HDx% B 79 LYS H 1.0 1.8 5.5 20 15 B 79 LYS H A 74 ILE HB 1.0 1.8 5.5 21 16 B 79 LYS H A 74 ILE HD1% 1.0 1.8 5.5 22 17 B 79 LYS H A 74 ILE HG2% 1.0 1.8 5.5 23 18 A 75 ILE HD1% B 79 LYS H 1.0 1.8 6.5 24 19 B 79 LYS H A 76 PHE HD% 1.0 1.8 5.5 25 20 A 76 PHE HE% B 79 LYS H 1.0 1.8 5.5 26 21 A 98 PHE HE% B 79 LYS H 1.0 1.8 5.5 27 22 B 80 ILE H A 56 LEU HDy% 1.0 1.8 5.5 28 22 A 56 LEU HDx% B 80 ILE H 1.0 1.8 5.5 29 23 A 74 ILE HB B 80 ILE H 1.0 1.8 5.5 30 24 B 80 ILE H A 74 ILE HG1y 1.0 1.8 5.5 31 24 B 80 ILE H A 74 ILE HG1x 1.0 1.8 5.5 32 25 A 74 ILE HD1% B 80 ILE H 1.0 1.8 5.5 33 26 A 74 ILE HG2% B 80 ILE H 1.0 1.8 5.5 34 27 A 100 ALA HA B 97 THR H 1.0 1.8 5.5 35 28 A 100 ALA HB% B 97 THR H 1.0 1.8 5.5 36 29 B 97 THR H A 101 GLY HAx 1.0 1.8 5.5 37 29 B 97 THR H A 101 GLY HAy 1.0 1.8 5.5 38 30 A 100 ALA HB% B 98 VAL H 1.0 1.8 6.5 39 31 B 99 HIS HE2 A 78 ASP OD2 1.0 1.8 1.8 40 31 A 78 ASP OD1 B 99 HIS HE2 1.0 1.8 1.8 41 32 B 99 HIS HD1 A 79 ASP OD2 1.0 1.8 1.8 42 32 A 79 ASP OD1 B 99 HIS HD1 1.0 1.8 1.8 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin pre _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 78 ASP H B 45 GLU CB 1.0 1.8 23.0 2 2 B 45 GLU CB A 79 ASP H 1.0 1.8 23.0 3 3 B 45 GLU CB A 80 CYS H 1.0 1.8 23.0 4 4 B 45 GLU CB A 81 GLU H 1.0 1.8 23.0 5 5 B 45 GLU CB A 98 PHE H 1.0 1.8 23.0 6 6 B 45 GLU CB A 99 LYS H 1.0 1.8 23.0 7 7 B 45 GLU CB A 100 ALA H 1.0 1.8 23.0 8 8 B 45 GLU CB A 101 GLY H 1.0 1.8 23.0 9 9 B 45 GLU CB A 103 LYS H 1.0 1.8 23.0 10 10 A 54 ASP H B 102 ILE CB 1.0 1.8 23.0 11 11 B 102 ILE CB A 55 SER H 1.0 1.8 23.0 12 12 B 102 ILE CB A 56 LEU H 1.0 1.8 23.0 13 13 A 98 PHE H B 102 ILE CB 1.0 1.8 23.0 14 14 A 99 LYS H B 102 ILE CB 1.0 1.8 23.0 15 15 A 100 ALA H B 102 ILE CB 1.0 1.8 23.0 16 16 A 101 GLY H B 102 ILE CB 1.0 1.8 23.0 17 17 A 80 CYS H B 96 LEU CB 1.0 1.8 15.0 18 18 A 98 PHE H B 96 LEU CB 1.0 1.8 15.0 19 19 A 99 LYS H B 96 LEU CB 1.0 1.8 15.0 20 20 A 100 ALA H B 96 LEU CB 1.0 1.8 15.0 21 21 A 103 LYS H B 96 LEU CB 1.0 1.8 15.0 22 22 B 96 LEU CB A 104 ARG H 1.0 1.8 15.0 23 23 B 96 LEU CB A 75 ILE H 1.0 1.8 23.0 24 24 B 96 LEU CB A 76 PHE H 1.0 1.8 23.0 25 25 A 78 ASP H B 96 LEU CB 1.0 1.8 23.0 26 26 A 79 ASP H B 96 LEU CB 1.0 1.8 23.0 27 27 B 96 LEU CB A 83 LYS H 1.0 1.8 23.0 28 28 B 96 LEU CB A 97 LYS H 1.0 1.8 23.0 29 29 A 53 ASP CB B 102 ILE H 1.0 1.8 15.0 30 30 A 53 ASP CB B 103 LYS H 1.0 1.8 15.0 31 31 A 97 LYS CB B 34 LYS H 1.0 1.8 23.0 32 32 A 97 LYS CB B 35 VAL H 1.0 1.8 23.0 33 33 A 97 LYS CB B 37 VAL H 1.0 1.8 23.0 34 34 A 97 LYS CB B 38 LYS H 1.0 1.8 23.0 35 35 B 39 THR H A 97 LYS CB 1.0 1.8 23.0 36 36 A 97 LYS CB B 42 GLU H 1.0 1.8 23.0 37 37 A 97 LYS CB B 43 LYS H 1.0 1.8 23.0 38 38 A 97 LYS CB B 44 GLU H 1.0 1.8 23.0 39 39 A 97 LYS CB B 92 ILE H 1.0 1.8 23.0 40 40 A 97 LYS CB B 93 HIS H 1.0 1.8 23.0 41 41 A 97 LYS CB B 94 ASP H 1.0 1.8 23.0 42 42 A 97 LYS CB B 95 GLY H 1.0 1.8 23.0 43 43 A 97 LYS CB B 96 LEU H 1.0 1.8 23.0 44 44 B 97 THR H A 97 LYS CB 1.0 1.8 23.0 45 45 B 98 VAL H A 97 LYS CB 1.0 1.8 23.0 46 46 A 97 LYS CB B 100 LEU H 1.0 1.8 23.0 47 47 A 97 LYS CB B 101 VAL H 1.0 1.8 23.0 48 48 B 102 ILE H A 97 LYS CB 1.0 1.8 23.0 49 49 B 103 LYS H A 97 LYS CB 1.0 1.8 23.0 50 50 A 102 SER CB B 90 HIS H 1.0 1.8 15.0 51 51 A 102 SER CB B 91 GLY H 1.0 1.8 15.0 52 52 B 92 ILE H A 102 SER CB 1.0 1.8 15.0 53 53 B 93 HIS H A 102 SER CB 1.0 1.8 15.0 54 54 B 94 ASP H A 102 SER CB 1.0 1.8 15.0 55 55 B 77 ALA H A 102 SER CB 1.0 1.8 23.0 56 56 B 79 LYS H A 102 SER CB 1.0 1.8 23.0 57 57 B 80 ILE H A 102 SER CB 1.0 1.8 23.0 58 58 A 102 SER CB B 86 THR H 1.0 1.8 23.0 59 59 A 102 SER CB B 88 ILE H 1.0 1.8 23.0 60 60 A 102 SER CB B 89 GLN H 1.0 1.8 23.0 61 61 B 95 GLY H A 102 SER CB 1.0 1.8 23.0 62 62 B 96 LEU H A 102 SER CB 1.0 1.8 23.0 63 63 B 97 THR H A 102 SER CB 1.0 1.8 23.0 64 64 B 98 VAL H A 102 SER CB 1.0 1.8 23.0 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 23 LEU C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -175.3 -75.3 PHI 2 2 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 GLU N 1.0 101.1 181.1 PSI 3 3 A 24 VAL C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -186.4 -76.4 PHI 4 4 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 PHE N 1.0 110.3 220.3 PSI 5 5 A 27 ARG C A 28 ALA N A 28 ALA CA A 28 ALA C 1.0 -181.5 -61.5 PHI 6 6 A 28 ALA N A 28 ALA CA A 28 ALA C A 29 GLY N 1.0 85.3 195.3 PSI 7 7 A 28 ALA C A 29 GLY N A 29 GLY CA A 29 GLY C 1.0 -209.3 -77.3 PHI 8 8 A 29 GLY N A 29 GLY CA A 29 GLY C A 30 LYS N 1.0 96.5 206.5 PSI 9 9 A 30 LYS C A 31 MET N A 31 MET CA A 31 MET C 1.0 -167.3 -87.3 PHI 10 10 A 31 MET N A 31 MET CA A 31 MET C A 32 SER N 1.0 108.4 188.4 PSI 11 11 A 31 MET C A 32 SER N A 32 SER CA A 32 SER C 1.0 -154.0 -74.0 PHI 12 12 A 32 SER N A 32 SER CA A 32 SER C A 33 LEU N 1.0 79.1 179.1 PSI 13 13 A 32 SER C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -155.2 -65.2 PHI 14 14 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 LYS N 1.0 72.8 172.8 PSI 15 15 A 33 LEU C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -145.1 -65.1 PHI 16 16 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 GLY N 1.0 75.3 155.3 PSI 17 17 A 36 THR C A 37 THR N A 37 THR CA A 37 THR C 1.0 -144.9 -64.9 PHI 18 18 A 37 THR N A 37 THR CA A 37 THR C A 38 VAL N 1.0 77.2 157.2 PSI 19 19 A 37 THR C A 38 VAL N A 38 VAL CA A 38 VAL C 1.0 -152.7 -62.7 PHI 20 20 A 38 VAL N A 38 VAL CA A 38 VAL C A 39 THR N 1.0 85.9 165.9 PSI 21 21 A 38 VAL C A 39 THR N A 39 THR CA A 39 THR C 1.0 -146.6 -66.6 PHI 22 22 A 39 THR N A 39 THR CA A 39 THR C A 40 PRO N 1.0 83.9 163.9 PSI 23 23 A 39 THR C A 40 PRO N A 40 PRO CA A 40 PRO C 1.0 -104.3 -24.3 PHI 24 24 A 40 PRO N A 40 PRO CA A 40 PRO C A 41 ASP N 1.0 102.6 182.6 PSI 25 25 A 40 PRO C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -172.8 -62.8 PHI 26 26 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 LYS N 1.0 75.6 175.6 PSI 27 27 A 43 ARG C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -141.4 -61.4 PHI 28 28 A 44 LYS N A 44 LYS CA A 44 LYS C A 45 GLY N 1.0 71.7 171.7 PSI 29 29 A 45 GLY C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -170.4 -90.4 PHI 30 30 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 VAL N 1.0 96.5 176.5 PSI 31 31 A 46 LEU C A 47 VAL N A 47 VAL CA A 47 VAL C 1.0 -162.5 -82.5 PHI 32 32 A 47 VAL N A 47 VAL CA A 47 VAL C A 48 TYR N 1.0 102.5 182.5 PSI 33 33 A 47 VAL C A 48 TYR N A 48 TYR CA A 48 TYR C 1.0 -164.4 -84.4 PHI 34 34 A 48 TYR N A 48 TYR CA A 48 TYR C A 49 ILE N 1.0 115.8 195.8 PSI 35 35 A 48 TYR C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -161.6 -81.6 PHI 36 36 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 GLN N 1.0 90.5 170.5 PSI 37 37 A 49 ILE C A 50 GLN N A 50 GLN CA A 50 GLN C 1.0 -154.7 -74.7 PHI 38 38 A 50 GLN N A 50 GLN CA A 50 GLN C A 51 GLN N 1.0 89.2 169.2 PSI 39 39 A 50 GLN C A 51 GLN N A 51 GLN CA A 51 GLN C 1.0 -167.1 -87.1 PHI 40 40 A 51 GLN N A 51 GLN CA A 51 GLN C A 52 THR N 1.0 95.1 175.1 PSI 41 41 A 51 GLN C A 52 THR N A 52 THR CA A 52 THR C 1.0 -186.5 -48.5 PHI 42 42 A 52 THR N A 52 THR CA A 52 THR C A 53 ASP N 1.0 128.7 208.7 PSI 43 43 A 52 THR C A 53 ASP N A 53 ASP CA A 53 ASP C 1.0 -101.3 -21.3 PHI 44 44 A 53 ASP N A 53 ASP CA A 53 ASP C A 54 ASP N 1.0 -69.5 10.5 PSI 45 45 A 53 ASP C A 54 ASP N A 54 ASP CA A 54 ASP C 1.0 -133.0 -53.0 PHI 46 46 A 54 ASP N A 54 ASP CA A 54 ASP C A 55 SER N 1.0 -31.4 48.6 PSI 47 47 A 54 ASP C A 55 SER N A 55 SER CA A 55 SER C 1.0 27.3 107.3 PHI 48 48 A 55 SER N A 55 SER CA A 55 SER C A 56 LEU N 1.0 -8.6 71.4 PSI 49 49 A 57 ILE C A 58 HIS N A 58 HIS CA A 58 HIS C 1.0 -153.2 -73.2 PHI 50 50 A 58 HIS N A 58 HIS CA A 58 HIS C A 59 PHE N 1.0 78.8 158.8 PSI 51 51 A 58 HIS C A 59 PHE N A 59 PHE CA A 59 PHE C 1.0 -153.6 -73.6 PHI 52 52 A 59 PHE N A 59 PHE CA A 59 PHE C A 60 CYS N 1.0 84.6 164.6 PSI 53 53 A 59 PHE C A 60 CYS N A 60 CYS CA A 60 CYS C 1.0 -160.1 -80.1 PHI 54 54 A 60 CYS N A 60 CYS CA A 60 CYS C A 61 TRP N 1.0 110.5 190.5 PSI 55 55 A 60 CYS C A 61 TRP N A 61 TRP CA A 61 TRP C 1.0 -174.0 -94.0 PHI 56 56 A 61 TRP N A 61 TRP CA A 61 TRP C A 62 LYS N 1.0 96.8 176.8 PSI 57 57 A 61 TRP C A 62 LYS N A 62 LYS CA A 62 LYS C 1.0 -155.1 -75.1 PHI 58 58 A 62 LYS N A 62 LYS CA A 62 LYS C A 63 ASP N 1.0 100.3 180.3 PSI 59 59 A 62 LYS C A 63 ASP N A 63 ASP CA A 63 ASP C 1.0 -166.2 -66.2 PHI 60 60 A 63 ASP N A 63 ASP CA A 63 ASP C A 64 ARG N 1.0 89.3 169.3 PSI 61 61 A 65 THR C A 66 SER N A 66 SER CA A 66 SER C 1.0 -131.7 -51.7 PHI 62 62 A 66 SER N A 66 SER CA A 66 SER C A 67 GLY N 1.0 -41.7 38.3 PSI 63 63 A 66 SER C A 67 GLY N A 67 GLY CA A 67 GLY C 1.0 50.3 130.3 PHI 64 64 A 67 GLY N A 67 GLY CA A 67 GLY C A 68 ASN N 1.0 -31.1 48.9 PSI 65 65 A 68 ASN C A 69 VAL N A 69 VAL CA A 69 VAL C 1.0 -144.9 -34.9 PHI 66 66 A 69 VAL N A 69 VAL CA A 69 VAL C A 70 GLU N 1.0 81.0 161.0 PSI 67 67 A 69 VAL C A 70 GLU N A 70 GLU CA A 70 GLU C 1.0 -136.4 -56.4 PHI 68 68 A 70 GLU N A 70 GLU CA A 70 GLU C A 71 ASP N 1.0 -90.3 19.7 PSI 69 69 A 71 ASP C A 72 ASP N A 72 ASP CA A 72 ASP C 1.0 -175.6 -65.6 PHI 70 70 A 72 ASP N A 72 ASP CA A 72 ASP C A 73 LEU N 1.0 75.1 165.1 PSI 71 71 A 72 ASP C A 73 LEU N A 73 LEU CA A 73 LEU C 1.0 -161.4 -81.4 PHI 72 72 A 73 LEU N A 73 LEU CA A 73 LEU C A 74 ILE N 1.0 65.3 185.3 PSI 73 73 A 73 LEU C A 74 ILE N A 74 ILE CA A 74 ILE C 1.0 -141.3 -61.3 PHI 74 74 A 74 ILE N A 74 ILE CA A 74 ILE C A 75 ILE N 1.0 83.5 163.5 PSI 75 75 A 74 ILE C A 75 ILE N A 75 ILE CA A 75 ILE C 1.0 -147.9 -67.9 PHI 76 76 A 75 ILE N A 75 ILE CA A 75 ILE C A 76 PHE N 1.0 84.5 164.5 PSI 77 77 A 75 ILE C A 76 PHE N A 76 PHE CA A 76 PHE C 1.0 -140.5 -20.5 PHI 78 78 A 76 PHE N A 76 PHE CA A 76 PHE C A 77 PRO N 1.0 83.9 193.9 PSI 79 79 A 80 CYS C A 81 GLU N A 81 GLU CA A 81 GLU C 1.0 -181.1 -101.1 PHI 80 80 A 81 GLU N A 81 GLU CA A 81 GLU C A 82 PHE N 1.0 69.0 189.0 PSI 81 81 A 81 GLU C A 82 PHE N A 82 PHE CA A 82 PHE C 1.0 -175.9 -65.9 PHI 82 82 A 82 PHE N A 82 PHE CA A 82 PHE C A 83 LYS N 1.0 93.8 173.8 PSI 83 83 A 83 LYS C A 84 ARG N A 84 ARG CA A 84 ARG C 1.0 -144.6 -64.6 PHI 84 84 A 84 ARG N A 84 ARG CA A 84 ARG C A 85 VAL N 1.0 63.0 173.0 PSI 85 85 A 84 ARG C A 85 VAL N A 85 VAL CA A 85 VAL C 1.0 -145.2 -45.2 PHI 86 86 A 85 VAL N A 85 VAL CA A 85 VAL C A 86 PRO N 1.0 84.7 164.7 PSI 87 87 A 89 PRO C A 90 SER N A 90 SER CA A 90 SER C 1.0 -124.3 -44.3 PHI 88 88 A 90 SER N A 90 SER CA A 90 SER C A 91 GLY N 1.0 -57.0 53.0 PSI 89 89 A 90 SER C A 91 GLY N A 91 GLY CA A 91 GLY C 1.0 47.1 127.1 PHI 90 90 A 91 GLY N A 91 GLY CA A 91 GLY C A 92 ARG N 1.0 -25.3 54.7 PSI 91 91 A 92 ARG C A 93 VAL N A 93 VAL CA A 93 VAL C 1.0 -144.1 -64.1 PHI 92 92 A 93 VAL N A 93 VAL CA A 93 VAL C A 94 TYR N 1.0 85.6 165.6 PSI 93 93 A 93 VAL C A 94 TYR N A 94 TYR CA A 94 TYR C 1.0 -158.7 -78.7 PHI 94 94 A 94 TYR N A 94 TYR CA A 94 TYR C A 95 VAL N 1.0 107.3 187.3 PSI 95 95 A 94 TYR C A 95 VAL N A 95 VAL CA A 95 VAL C 1.0 -162.7 -82.7 PHI 96 96 A 95 VAL N A 95 VAL CA A 95 VAL C A 96 LEU N 1.0 97.0 177.0 PSI 97 97 A 95 VAL C A 96 LEU N A 96 LEU CA A 96 LEU C 1.0 -139.7 -59.7 PHI 98 98 A 96 LEU N A 96 LEU CA A 96 LEU C A 97 LYS N 1.0 85.0 165.0 PSI 99 99 A 96 LEU C A 97 LYS N A 97 LYS CA A 97 LYS C 1.0 -147.2 -67.2 PHI 100 100 A 97 LYS N A 97 LYS CA A 97 LYS C A 98 PHE N 1.0 81.3 161.3 PSI 101 101 A 97 LYS C A 98 PHE N A 98 PHE CA A 98 PHE C 1.0 -132.5 -52.5 PHI 102 102 A 98 PHE N A 98 PHE CA A 98 PHE C A 99 LYS N 1.0 73.1 173.1 PSI 103 103 A 103 LYS C A 104 ARG N A 104 ARG CA A 104 ARG C 1.0 -155.3 -55.3 PHI 104 104 A 104 ARG N A 104 ARG CA A 104 ARG C A 105 LEU N 1.0 91.6 171.6 PSI 105 105 A 104 ARG C A 105 LEU N A 105 LEU CA A 105 LEU C 1.0 -171.3 -91.3 PHI 106 106 A 105 LEU N A 105 LEU CA A 105 LEU C A 106 PHE N 1.0 97.1 177.1 PSI 107 107 A 105 LEU C A 106 PHE N A 106 PHE CA A 106 PHE C 1.0 -167.7 -87.7 PHI 108 108 A 106 PHE N A 106 PHE CA A 106 PHE C A 107 PHE N 1.0 97.8 177.8 PSI 109 109 A 106 PHE C A 107 PHE N A 107 PHE CA A 107 PHE C 1.0 -171.3 -91.3 PHI 110 110 A 107 PHE N A 107 PHE CA A 107 PHE C A 108 TRP N 1.0 112.0 192.0 PSI 111 111 A 107 PHE C A 108 TRP N A 108 TRP CA A 108 TRP C 1.0 -195.9 -85.9 PHI 112 112 A 108 TRP N A 108 TRP CA A 108 TRP C A 109 MET N 1.0 111.2 191.2 PSI 113 113 A 111 GLU C A 112 PRO N A 112 PRO CA A 112 PRO C 1.0 -102.7 -22.7 PHI 114 114 A 112 PRO N A 112 PRO CA A 112 PRO C A 113 LYS N 1.0 -72.5 37.5 PSI 115 115 A 115 ASP C A 116 GLN N A 116 GLN CA A 116 GLN C 1.0 -134.8 -54.8 PHI 116 116 A 116 GLN N A 116 GLN CA A 116 GLN C A 117 ASP N 1.0 -44.3 35.7 PSI 117 117 A 122 ARG C A 123 LYS N A 123 LYS CA A 123 LYS C 1.0 -101.8 -21.8 PHI 118 118 A 123 LYS N A 123 LYS CA A 123 LYS C A 124 VAL N 1.0 -81.1 -1.1 PSI 119 119 A 123 LYS C A 124 VAL N A 124 VAL CA A 124 VAL C 1.0 -104.3 -24.3 PHI 120 120 A 124 VAL N A 124 VAL CA A 124 VAL C A 125 ASN N 1.0 -84.9 -4.9 PSI 121 121 A 124 VAL C A 125 ASN N A 125 ASN CA A 125 ASN C 1.0 -102.5 -22.5 PHI 122 122 A 125 ASN N A 125 ASN CA A 125 ASN C A 126 GLU N 1.0 -78.9 1.1 PSI 123 123 A 125 ASN C A 126 GLU N A 126 GLU CA A 126 GLU C 1.0 -102.9 -22.9 PHI 124 124 A 126 GLU N A 126 GLU CA A 126 GLU C A 127 TYR N 1.0 -83.7 -3.7 PSI 125 125 A 128 LEU C A 129 ASN N A 129 ASN CA A 129 ASN C 1.0 -145.8 -35.8 PHI 126 126 A 129 ASN N A 129 ASN CA A 129 ASN C A 130 ASN N 1.0 -54.8 25.2 PSI 127 127 B 31 LYS C B 32 ILE N B 32 ILE CA B 32 ILE C 1.0 -168.3 -58.3 PHI 128 128 B 32 ILE N B 32 ILE CA B 32 ILE C B 33 ILE N 1.0 71.1 191.1 PSI 129 129 B 32 ILE C B 33 ILE N B 33 ILE CA B 33 ILE C 1.0 -157.3 -67.3 PHI 130 130 B 33 ILE N B 33 ILE CA B 33 ILE C B 34 LYS N 1.0 113.5 193.5 PSI 131 131 B 33 ILE C B 34 LYS N B 34 LYS CA B 34 LYS C 1.0 -143.4 -63.4 PHI 132 132 B 34 LYS N B 34 LYS CA B 34 LYS C B 35 VAL N 1.0 82.0 162.0 PSI 133 133 B 34 LYS C B 35 VAL N B 35 VAL CA B 35 VAL C 1.0 -160.4 -80.4 PHI 134 134 B 35 VAL N B 35 VAL CA B 35 VAL C B 36 THR N 1.0 92.4 172.4 PSI 135 135 B 35 VAL C B 36 THR N B 36 THR CA B 36 THR C 1.0 -149.5 -69.5 PHI 136 136 B 36 THR N B 36 THR CA B 36 THR C B 37 VAL N 1.0 87.2 167.2 PSI 137 137 B 36 THR C B 37 VAL N B 37 VAL CA B 37 VAL C 1.0 -147.6 -67.6 PHI 138 138 B 37 VAL N B 37 VAL CA B 37 VAL C B 38 LYS N 1.0 89.5 169.5 PSI 139 139 B 37 VAL C B 38 LYS N B 38 LYS CA B 38 LYS C 1.0 -175.4 -65.4 PHI 140 140 B 38 LYS N B 38 LYS CA B 38 LYS C B 39 THR N 1.0 72.5 182.5 PSI 141 141 B 43 LYS C B 44 GLU N B 44 GLU CA B 44 GLU C 1.0 -178.7 -68.7 PHI 142 142 B 44 GLU N B 44 GLU CA B 44 GLU C B 45 GLU N 1.0 99.1 179.1 PSI 143 143 B 45 GLU C B 46 PHE N B 46 PHE CA B 46 PHE C 1.0 -147.9 -37.9 PHI 144 144 B 46 PHE N B 46 PHE CA B 46 PHE C B 47 ALA N 1.0 63.2 183.2 PSI 145 145 B 46 PHE C B 47 ALA N B 47 ALA CA B 47 ALA C 1.0 -150.3 -40.3 PHI 146 146 B 47 ALA N B 47 ALA CA B 47 ALA C B 48 VAL N 1.0 89.9 169.9 PSI 147 147 B 47 ALA C B 48 VAL N B 48 VAL CA B 48 VAL C 1.0 -158.9 -78.9 PHI 148 148 B 48 VAL N B 48 VAL CA B 48 VAL C B 49 PRO N 1.0 81.2 161.2 PSI 149 149 B 48 VAL C B 49 PRO N B 49 PRO CA B 49 PRO C 1.0 -101.5 -21.5 PHI 150 150 B 49 PRO N B 49 PRO CA B 49 PRO C B 50 GLU N 1.0 104.7 184.7 PSI 151 151 B 53 SER C B 54 VAL N B 54 VAL CA B 54 VAL C 1.0 -98.3 -18.3 PHI 152 152 B 54 VAL N B 54 VAL CA B 54 VAL C B 55 GLN N 1.0 -80.0 0.0 PSI 153 153 B 54 VAL C B 55 GLN N B 55 GLN CA B 55 GLN C 1.0 -99.4 -19.4 PHI 154 154 B 55 GLN N B 55 GLN CA B 55 GLN C B 56 GLN N 1.0 -87.5 -7.5 PSI 155 155 B 55 GLN C B 56 GLN N B 56 GLN CA B 56 GLN C 1.0 -105.4 -25.4 PHI 156 156 B 56 GLN N B 56 GLN CA B 56 GLN C B 57 PHE N 1.0 -77.7 2.3 PSI 157 157 B 56 GLN C B 57 PHE N B 57 PHE CA B 57 PHE C 1.0 -108.2 -28.2 PHI 158 158 B 57 PHE N B 57 PHE CA B 57 PHE C B 58 LYS N 1.0 -83.6 16.4 PSI 159 159 B 57 PHE C B 58 LYS N B 58 LYS CA B 58 LYS C 1.0 -100.6 -20.6 PHI 160 160 B 58 LYS N B 58 LYS CA B 58 LYS C B 59 GLU N 1.0 -79.7 0.3 PSI 161 161 B 58 LYS C B 59 GLU N B 59 GLU CA B 59 GLU C 1.0 -100.0 -20.0 PHI 162 162 B 59 GLU N B 59 GLU CA B 59 GLU C B 60 ALA N 1.0 -105.2 14.8 PSI 163 163 B 59 GLU C B 60 ALA N B 60 ALA CA B 60 ALA C 1.0 -105.2 -25.2 PHI 164 164 B 60 ALA N B 60 ALA CA B 60 ALA C B 61 ILE N 1.0 -75.1 4.9 PSI 165 165 B 60 ALA C B 61 ILE N B 61 ILE CA B 61 ILE C 1.0 -107.0 -27.0 PHI 166 166 B 61 ILE N B 61 ILE CA B 61 ILE C B 62 SER N 1.0 -81.9 -1.9 PSI 167 167 B 61 ILE C B 62 SER N B 62 SER CA B 62 SER C 1.0 -102.5 -22.5 PHI 168 168 B 62 SER N B 62 SER CA B 62 SER C B 63 LYS N 1.0 -84.1 -4.1 PSI 169 169 B 62 SER C B 63 LYS N B 63 LYS CA B 63 LYS C 1.0 -107.3 -27.3 PHI 170 170 B 63 LYS N B 63 LYS CA B 63 LYS C B 64 ARG N 1.0 -85.4 -5.4 PSI 171 171 B 63 LYS C B 64 ARG N B 64 ARG CA B 64 ARG C 1.0 -122.1 -12.1 PHI 172 172 B 64 ARG N B 64 ARG CA B 64 ARG C B 65 PHE N 1.0 -77.1 2.9 PSI 173 173 B 64 ARG C B 65 PHE N B 65 PHE CA B 65 PHE C 1.0 -131.7 -51.7 PHI 174 174 B 65 PHE N B 65 PHE CA B 65 PHE C B 66 LYS N 1.0 -52.7 57.3 PSI 175 175 B 65 PHE C B 66 LYS N B 66 LYS CA B 66 LYS C 1.0 15.4 95.4 PHI 176 176 B 66 LYS C B 67 SER N B 67 SER CA B 67 SER C 1.0 -170.4 -60.4 PHI 177 177 B 69 THR C B 70 ASP N B 70 ASP CA B 70 ASP C 1.0 -107.3 -27.3 PHI 178 178 B 70 ASP N B 70 ASP CA B 70 ASP C B 71 GLN N 1.0 -68.9 11.1 PSI 179 179 B 72 LEU C B 73 VAL N B 73 VAL CA B 73 VAL C 1.0 -162.6 -82.6 PHI 180 180 B 73 VAL N B 73 VAL CA B 73 VAL C B 74 LEU N 1.0 81.2 161.2 PSI 181 181 B 73 VAL C B 74 LEU N B 74 LEU CA B 74 LEU C 1.0 -154.8 -74.8 PHI 182 182 B 74 LEU N B 74 LEU CA B 74 LEU C B 75 ILE N 1.0 104.6 184.6 PSI 183 183 B 74 LEU C B 75 ILE N B 75 ILE CA B 75 ILE C 1.0 -166.4 -86.4 PHI 184 184 B 75 ILE N B 75 ILE CA B 75 ILE C B 76 PHE N 1.0 94.6 174.6 PSI 185 185 B 77 ALA C B 78 GLY N B 78 GLY CA B 78 GLY C 1.0 42.2 122.2 PHI 186 186 B 78 GLY N B 78 GLY CA B 78 GLY C B 79 LYS N 1.0 -57.4 52.6 PSI 187 187 B 78 GLY C B 79 LYS N B 79 LYS CA B 79 LYS C 1.0 -160.8 -50.8 PHI 188 188 B 79 LYS N B 79 LYS CA B 79 LYS C B 80 ILE N 1.0 103.6 183.6 PSI 189 189 B 79 LYS C B 80 ILE N B 80 ILE CA B 80 ILE C 1.0 -142.0 -42.0 PHI 190 190 B 80 ILE N B 80 ILE CA B 80 ILE C B 81 LEU N 1.0 78.3 188.3 PSI 191 191 B 80 ILE C B 81 LEU N B 81 LEU CA B 81 LEU C 1.0 -153.1 -43.1 PHI 192 192 B 81 LEU N B 81 LEU CA B 81 LEU C B 82 LYS N 1.0 72.8 192.8 PSI 193 193 B 83 ASP C B 84 GLN N B 84 GLN CA B 84 GLN C 1.0 -134.4 -4.4 PHI 194 194 B 84 GLN N B 84 GLN CA B 84 GLN C B 85 ASP N 1.0 -87.6 42.4 PSI 195 195 B 85 ASP C B 86 THR N B 86 THR CA B 86 THR C 1.0 -180.4 -80.4 PHI 196 196 B 86 THR N B 86 THR CA B 86 THR C B 87 LEU N 1.0 103.0 233.0 PSI 197 197 B 86 THR C B 87 LEU N B 87 LEU CA B 87 LEU C 1.0 -103.1 -23.1 PHI 198 198 B 87 LEU N B 87 LEU CA B 87 LEU C B 88 ILE N 1.0 -86.9 13.1 PSI 199 199 B 87 LEU C B 88 ILE N B 88 ILE CA B 88 ILE C 1.0 -105.5 -25.5 PHI 200 200 B 88 ILE N B 88 ILE CA B 88 ILE C B 89 GLN N 1.0 -104.3 25.7 PSI stop_ save_