data_nef_c25509_2mzz 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 2MZZ 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 54 HIS ND1 2 1 ZN ZN 1 88 CYS SG 2 1 ZN ZN 1 85 CYS SG 2 1 ZN ZN 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 MET start . . 2 A 2 ASP middle . . 3 A 3 PRO middle . false 4 A 4 ASP middle . . 5 A 5 THR middle . . 6 A 6 PHE middle . . 7 A 7 SER middle . . 8 A 8 TYR middle . . 9 A 9 ASN middle . . 10 A 10 PHE middle . . 11 A 11 ASN middle . . 12 A 12 ASN middle . . 13 A 13 ARG middle . . 14 A 14 PRO middle . false 15 A 15 ILE middle . . 16 A 16 LEU middle . . 17 A 17 SER middle . . 18 A 18 ARG middle . . 19 A 19 ARG middle . . 20 A 20 ASN middle . . 21 A 21 THR middle . . 22 A 22 VAL middle . . 23 A 23 TRP middle . . 24 A 24 LEU middle . . 25 A 25 CYS middle . . 26 A 26 TYR middle . . 27 A 27 GLU middle . . 28 A 28 VAL middle . . 29 A 29 LYS middle . . 30 A 30 THR middle . . 31 A 31 LYS middle . . 32 A 32 GLY middle . false 33 A 33 PRO middle . false 34 A 34 SER middle . . 35 A 35 ARG middle . . 36 A 36 PRO middle . false 37 A 37 PRO middle . false 38 A 38 LEU middle . . 39 A 39 ASP middle . . 40 A 40 ALA middle . . 41 A 41 LYS middle . . 42 A 42 ILE middle . . 43 A 43 PHE middle . . 44 A 44 ARG middle . . 45 A 45 GLY middle . false 46 A 46 GLN middle . . 47 A 47 VAL middle . . 48 A 48 TYR middle . . 49 A 49 SER middle . . 50 A 50 GLU middle . . 51 A 51 ASP middle . . 52 A 52 LYS middle . . 53 A 53 TYR middle . . 54 A 54 HIS middle -HD1 . 55 A 55 PRO middle . false 56 A 56 GLU middle . . 57 A 57 MET middle . . 58 A 58 ARG middle . . 59 A 59 PHE middle . . 60 A 60 LEU middle . . 61 A 61 SER middle . . 62 A 62 LEU middle . . 63 A 63 VAL middle . . 64 A 64 SER middle . . 65 A 65 LYS middle . . 66 A 66 TRP middle . . 67 A 67 LYS middle . . 68 A 68 LEU middle . . 69 A 69 HIS middle . . 70 A 70 ARG middle . . 71 A 71 ASP middle . . 72 A 72 GLN middle . . 73 A 73 GLU middle . . 74 A 74 TYR middle . . 75 A 75 GLU middle . . 76 A 76 VAL middle . . 77 A 77 THR middle . . 78 A 78 TRP middle . . 79 A 79 TYR middle . . 80 A 80 ILE middle . . 81 A 81 SER middle . . 82 A 82 TRP middle . . 83 A 83 SER middle . . 84 A 84 PRO middle . false 85 A 85 CYS middle -HG . 86 A 86 THR middle . . 87 A 87 LYS middle . . 88 A 88 CYS middle -HG . 89 A 89 ALA middle . . 90 A 90 ARG middle . . 91 A 91 ASP middle . . 92 A 92 MET middle . . 93 A 93 ALA middle . . 94 A 94 THR middle . . 95 A 95 PHE middle . . 96 A 96 LEU middle . . 97 A 97 GLN middle . . 98 A 98 GLU middle . . 99 A 99 ASN middle . . 100 A 100 THR middle . . 101 A 101 HIS middle . . 102 A 102 VAL middle . . 103 A 103 THR middle . . 104 A 104 LEU middle . . 105 A 105 THR middle . . 106 A 106 ILE middle . . 107 A 107 PHE middle . . 108 A 108 VAL middle . . 109 A 109 ALA middle . . 110 A 110 ARG middle . . 111 A 111 LEU middle . . 112 A 112 TYR middle . . 113 A 113 TYR middle . . 114 A 114 ALA middle . . 115 A 115 TRP middle . . 116 A 116 ASP middle . . 117 A 117 PRO middle . false 118 A 118 ASP middle . . 119 A 119 TYR middle . . 120 A 120 GLN middle . . 121 A 121 GLU middle . . 122 A 122 ALA middle . . 123 A 123 LEU middle . . 124 A 124 ARG middle . . 125 A 125 SER middle . . 126 A 126 LEU middle . . 127 A 127 ALA middle . . 128 A 128 GLN middle . . 129 A 129 ALA middle . . 130 A 130 GLY middle . false 131 A 131 ALA middle . . 132 A 132 THR middle . . 133 A 133 ILE middle . . 134 A 134 LYS middle . . 135 A 135 ILE middle . . 136 A 136 MET middle . . 137 A 137 ASN middle . . 138 A 138 TYR middle . . 139 A 139 ASP middle . . 140 A 140 GLU middle . . 141 A 141 PHE middle . . 142 A 142 GLN middle . . 143 A 143 HIS middle . . 144 A 144 CYS middle . . 145 A 145 TRP middle . . 146 A 146 SER middle . . 147 A 147 LYS middle . . 148 A 148 PHE middle . . 149 A 149 VAL middle . . 150 A 150 TYR middle . . 151 A 151 SER middle . . 152 A 152 GLN middle . . 153 A 153 GLY middle . false 154 A 154 ALA middle . . 155 A 155 PRO middle . false 156 A 156 PHE middle . . 157 A 157 GLN middle . . 158 A 158 PRO middle . false 159 A 159 TRP middle . . 160 A 160 ASP middle . . 161 A 161 GLY middle . false 162 A 162 LEU middle . . 163 A 163 ASP middle . . 164 A 164 GLU middle . . 165 A 165 HIS middle . . 166 A 166 SER middle . . 167 A 167 GLN middle . . 168 A 168 ALA middle . . 169 A 169 LEU middle . . 170 A 170 SER middle . . 171 A 171 GLY middle . false 172 A 172 ARG middle . . 173 A 173 LEU middle . . 174 A 174 GLY middle . false 175 A 175 GLU middle . . 176 A 176 ILE middle . . 177 A 177 LEU middle . . 178 A 178 ARG middle . . 179 A 179 HIS middle . . 180 A 180 SER end . . 181 B 1 ZN . . . 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 H1 H 1 8.534 0.01 A 1 MET HA H 1 4.275 0.01 A 1 MET C C 13 174.618 0.97 A 1 MET CA C 13 55.681 0.97 A 1 MET N N 15 121.285 0.56 A 2 ASP H H 1 8.114 0.01 A 2 ASP C C 13 174.657 0.97 A 2 ASP CA C 13 52.100 0.97 A 2 ASP N N 15 123.241 0.56 A 3 PRO C C 13 178.464 0.97 A 3 PRO CA C 13 66.499 0.97 A 4 ASP H H 1 8.509 0.01 A 4 ASP HA H 1 4.448 0.01 A 4 ASP C C 13 178.808 0.97 A 4 ASP CA C 13 57.247 0.97 A 4 ASP N N 15 118.258 0.56 A 5 THR H H 1 8.150 0.01 A 5 THR HA H 1 3.859 0.01 A 5 THR C C 13 177.699 0.97 A 5 THR CA C 13 66.182 0.97 A 5 THR N N 15 119.780 0.56 A 6 PHE H H 1 8.297 0.01 A 6 PHE HA H 1 4.204 0.01 A 6 PHE C C 13 176.665 0.97 A 6 PHE CA C 13 61.800 0.97 A 6 PHE N N 15 124.329 0.56 A 7 SER H H 1 8.752 0.01 A 7 SER C C 13 176.138 0.97 A 7 SER CA C 13 61.480 0.97 A 7 SER N N 15 116.185 0.56 A 8 TYR H H 1 7.967 0.01 A 8 TYR HA H 1 4.047 0.01 A 8 TYR C C 13 177.077 0.97 A 8 TYR CA C 13 60.282 0.97 A 8 TYR N N 15 118.689 0.56 A 9 ASN H H 1 7.577 0.01 A 9 ASN HA H 1 4.230 0.01 A 9 ASN C C 13 175.101 0.97 A 9 ASN CA C 13 56.087 0.97 A 9 ASN N N 15 113.034 0.56 A 10 PHE H H 1 8.655 0.01 A 10 PHE HA H 1 3.876 0.01 A 10 PHE C C 13 171.880 0.97 A 10 PHE CA C 13 58.762 0.97 A 10 PHE N N 15 117.719 0.56 A 11 ASN H H 1 6.097 0.01 A 11 ASN C C 13 174.730 0.97 A 11 ASN CA C 13 53.439 0.97 A 11 ASN N N 15 114.885 0.56 A 12 ASN H H 1 6.688 0.01 A 12 ASN HA H 1 4.365 0.01 A 12 ASN C C 13 174.578 0.97 A 12 ASN CA C 13 51.417 0.97 A 12 ASN N N 15 121.039 0.56 A 13 ARG H H 1 7.589 0.01 A 13 ARG HA H 1 3.588 0.01 A 13 ARG C C 13 175.049 0.97 A 13 ARG CA C 13 54.330 0.97 A 13 ARG N N 15 119.646 0.56 A 14 PRO C C 13 176.477 0.97 A 14 PRO CA C 13 63.180 0.97 A 15 ILE H H 1 7.827 0.01 A 15 ILE HA H 1 4.283 0.01 A 15 ILE C C 13 175.956 0.97 A 15 ILE CA C 13 60.026 0.97 A 15 ILE N N 15 120.304 0.56 A 16 LEU H H 1 8.283 0.01 A 16 LEU HA H 1 4.301 0.01 A 16 LEU C C 13 177.213 0.97 A 16 LEU CA C 13 55.089 0.97 A 16 LEU N N 15 124.585 0.56 A 17 SER H H 1 7.782 0.01 A 17 SER C C 13 173.733 0.97 A 17 SER CA C 13 57.371 0.97 A 17 SER N N 15 115.176 0.56 A 18 ARG H H 1 8.318 0.01 A 18 ARG HA H 1 4.204 0.01 A 18 ARG C C 13 176.524 0.97 A 18 ARG CA C 13 55.944 0.97 A 18 ARG N N 15 122.072 0.56 A 21 THR HA H 1 4.574 0.01 A 22 VAL HA H 1 4.030 0.01 A 22 VAL CA C 13 61.772 0.97 A 24 LEU HA H 1 5.079 0.01 A 24 LEU C C 13 174.326 0.97 A 24 LEU CA C 13 54.203 0.97 A 25 CYS H H 1 9.325 0.01 A 25 CYS HA H 1 4.699 0.01 A 25 CYS C C 13 173.285 0.97 A 25 CYS CA C 13 57.086 0.97 A 25 CYS N N 15 126.908 0.56 A 26 TYR H H 1 9.039 0.01 A 26 TYR HA H 1 6.300 0.01 A 26 TYR C C 13 173.449 0.97 A 26 TYR CA C 13 54.582 0.97 A 26 TYR N N 15 120.745 0.56 A 27 GLU H H 1 9.358 0.01 A 27 GLU C C 13 175.348 0.97 A 27 GLU CA C 13 54.548 0.97 A 27 GLU N N 15 118.222 0.56 A 28 VAL H H 1 9.479 0.01 A 28 VAL HA H 1 4.914 0.01 A 28 VAL C C 13 174.085 0.97 A 28 VAL CA C 13 61.231 0.97 A 28 VAL N N 15 124.182 0.56 A 29 LYS H H 1 9.151 0.01 A 29 LYS HA H 1 5.391 0.01 A 29 LYS C C 13 175.631 0.97 A 29 LYS CA C 13 54.136 0.97 A 29 LYS N N 15 127.566 0.56 A 30 THR H H 1 8.615 0.01 A 30 THR HA H 1 4.617 0.01 A 30 THR C C 13 173.948 0.97 A 30 THR CA C 13 61.228 0.97 A 30 THR N N 15 118.721 0.56 A 31 LYS H H 1 8.400 0.01 A 31 LYS HA H 1 3.868 0.01 A 31 LYS C C 13 176.799 0.97 A 31 LYS CA C 13 56.250 0.97 A 31 LYS N N 15 125.634 0.56 A 32 GLY H H 1 8.170 0.01 A 32 GLY C C 13 171.007 0.97 A 32 GLY CA C 13 44.006 0.97 A 32 GLY N N 15 111.069 0.56 A 33 PRO C C 13 176.964 0.97 A 33 PRO CA C 13 62.675 0.97 A 34 SER H H 1 8.383 0.01 A 34 SER HA H 1 4.372 0.01 A 34 SER C C 13 173.728 0.97 A 34 SER CA C 13 57.933 0.97 A 34 SER N N 15 117.301 0.56 A 35 ARG H H 1 8.153 0.01 A 35 ARG HA H 1 4.572 0.01 A 35 ARG C C 13 173.256 0.97 A 35 ARG CA C 13 53.217 0.97 A 35 ARG N N 15 123.829 0.56 A 37 PRO C C 13 176.060 0.97 A 37 PRO CA C 13 63.234 0.97 A 38 LEU H H 1 8.347 0.01 A 38 LEU HA H 1 4.139 0.01 A 38 LEU C C 13 176.490 0.97 A 38 LEU CA C 13 55.202 0.97 A 38 LEU N N 15 126.508 0.56 A 39 ASP H H 1 8.299 0.01 A 39 ASP HA H 1 4.371 0.01 A 39 ASP C C 13 175.525 0.97 A 39 ASP CA C 13 53.948 0.97 A 39 ASP N N 15 120.060 0.56 A 40 ALA H H 1 7.972 0.01 A 40 ALA HA H 1 4.366 0.01 A 40 ALA C C 13 177.243 0.97 A 40 ALA CA C 13 51.583 0.97 A 40 ALA N N 15 123.020 0.56 A 41 LYS H H 1 8.286 0.01 A 41 LYS HA H 1 4.350 0.01 A 41 LYS C C 13 175.874 0.97 A 41 LYS CA C 13 56.520 0.97 A 41 LYS N N 15 120.582 0.56 A 42 ILE H H 1 7.830 0.01 A 42 ILE HA H 1 4.878 0.01 A 42 ILE C C 13 174.828 0.97 A 42 ILE CA C 13 59.878 0.97 A 42 ILE N N 15 119.815 0.56 A 43 PHE H H 1 8.780 0.01 A 43 PHE HA H 1 4.885 0.01 A 43 PHE C C 13 173.801 0.97 A 43 PHE CA C 13 56.273 0.97 A 43 PHE N N 15 126.131 0.56 A 44 ARG H H 1 8.368 0.01 A 44 ARG HA H 1 5.506 0.01 A 44 ARG C C 13 175.196 0.97 A 44 ARG CA C 13 54.267 0.97 A 44 ARG N N 15 122.879 0.56 A 45 GLY H H 1 7.714 0.01 A 45 GLY C C 13 169.838 0.97 A 45 GLY CA C 13 44.841 0.97 A 45 GLY N N 15 108.917 0.56 A 46 GLN H H 1 8.411 0.01 A 46 GLN HA H 1 5.607 0.01 A 46 GLN C C 13 174.884 0.97 A 46 GLN CA C 13 53.906 0.97 A 46 GLN N N 15 113.774 0.56 A 47 VAL H H 1 9.499 0.01 A 47 VAL HA H 1 4.375 0.01 A 47 VAL C C 13 172.005 0.97 A 47 VAL CA C 13 59.977 0.97 A 47 VAL N N 15 120.282 0.56 A 49 SER C C 13 173.486 0.97 A 49 SER CA C 13 57.077 0.97 A 50 GLU H H 1 8.748 0.01 A 50 GLU C C 13 175.276 0.97 A 50 GLU CA C 13 54.505 0.97 A 50 GLU N N 15 123.998 0.56 A 51 ASP H H 1 8.479 0.01 A 51 ASP C C 13 176.320 0.97 A 51 ASP CA C 13 52.910 0.97 A 51 ASP N N 15 123.737 0.56 A 52 LYS H H 1 7.677 0.01 A 52 LYS HA H 1 4.132 0.01 A 52 LYS C C 13 175.538 0.97 A 52 LYS CA C 13 57.089 0.97 A 52 LYS N N 15 114.578 0.56 A 53 TYR H H 1 8.490 0.01 A 53 TYR HA H 1 4.770 0.01 A 53 TYR C C 13 175.498 0.97 A 53 TYR CA C 13 53.507 0.97 A 53 TYR N N 15 124.836 0.56 A 54 HIS H H 1 8.622 0.01 A 54 HIS HA H 1 4.756 0.01 A 54 HIS C C 13 174.123 0.97 A 54 HIS CA C 13 53.734 0.97 A 54 HIS N N 15 128.974 0.56 A 56 GLU C C 13 178.356 0.97 A 56 GLU CA C 13 60.597 0.97 A 57 MET H H 1 6.807 0.01 A 57 MET HA H 1 4.433 0.01 A 57 MET C C 13 180.454 0.97 A 57 MET CA C 13 55.453 0.97 A 57 MET N N 15 113.971 0.56 A 58 ARG H H 1 7.658 0.01 A 58 ARG HA H 1 3.764 0.01 A 58 ARG C C 13 179.588 0.97 A 58 ARG CA C 13 58.505 0.97 A 58 ARG N N 15 123.367 0.56 A 59 PHE H H 1 8.925 0.01 A 59 PHE HA H 1 3.558 0.01 A 59 PHE C C 13 175.915 0.97 A 59 PHE CA C 13 61.355 0.97 A 59 PHE N N 15 121.256 0.56 A 60 LEU H H 1 7.587 0.01 A 60 LEU HA H 1 3.472 0.01 A 60 LEU C C 13 179.572 0.97 A 60 LEU CA C 13 57.365 0.97 A 60 LEU N N 15 118.280 0.56 A 61 SER H H 1 7.479 0.01 A 61 SER HA H 1 4.053 0.01 A 61 SER C C 13 176.822 0.97 A 61 SER CA C 13 60.923 0.97 A 61 SER N N 15 115.099 0.56 A 62 LEU H H 1 7.302 0.01 A 62 LEU HA H 1 3.394 0.01 A 62 LEU C C 13 177.319 0.97 A 62 LEU CA C 13 56.877 0.97 A 62 LEU N N 15 123.881 0.56 A 63 VAL H H 1 7.039 0.01 A 63 VAL HA H 1 2.679 0.01 A 63 VAL C C 13 178.913 0.97 A 63 VAL CA C 13 64.567 0.97 A 63 VAL N N 15 115.745 0.56 A 64 SER H H 1 7.205 0.01 A 64 SER C C 13 176.376 0.97 A 64 SER CA C 13 60.925 0.97 A 64 SER N N 15 114.324 0.56 A 65 LYS H H 1 7.294 0.01 A 65 LYS HA H 1 4.075 0.01 A 65 LYS C C 13 178.346 0.97 A 65 LYS CA C 13 57.294 0.97 A 65 LYS N N 15 121.823 0.56 A 66 TRP H H 1 7.834 0.01 A 66 TRP HA H 1 4.474 0.01 A 66 TRP CA C 13 56.009 0.97 A 66 TRP N N 15 120.291 0.56 A 69 HIS C C 13 176.475 0.97 A 69 HIS CA C 13 56.029 0.97 A 70 ARG H H 1 8.527 0.01 A 70 ARG HA H 1 3.497 0.01 A 70 ARG C C 13 175.806 0.97 A 70 ARG CA C 13 57.342 0.97 A 70 ARG N N 15 121.733 0.56 A 71 ASP H H 1 8.599 0.01 A 71 ASP C C 13 175.213 0.97 A 71 ASP CA C 13 53.027 0.97 A 71 ASP N N 15 116.800 0.56 A 72 GLN H H 1 7.629 0.01 A 72 GLN HA H 1 4.522 0.01 A 72 GLN C C 13 172.972 0.97 A 72 GLN CA C 13 53.807 0.97 A 72 GLN N N 15 119.761 0.56 A 73 GLU H H 1 7.984 0.01 A 73 GLU C C 13 176.011 0.97 A 73 GLU CA C 13 54.896 0.97 A 73 GLU N N 15 117.994 0.56 A 74 TYR H H 1 8.860 0.01 A 74 TYR HA H 1 5.123 0.01 A 74 TYR C C 13 174.675 0.97 A 74 TYR CA C 13 56.742 0.97 A 74 TYR N N 15 120.098 0.56 A 75 GLU H H 1 9.321 0.01 A 75 GLU HA H 1 4.893 0.01 A 75 GLU C C 13 175.614 0.97 A 75 GLU CA C 13 54.571 0.97 A 75 GLU N N 15 123.539 0.56 A 76 VAL H H 1 9.399 0.01 A 76 VAL HA H 1 5.186 0.01 A 76 VAL C C 13 175.004 0.97 A 76 VAL CA C 13 60.376 0.97 A 76 VAL N N 15 128.647 0.56 A 77 THR H H 1 9.597 0.01 A 77 THR HA H 1 5.223 0.01 A 77 THR C C 13 173.353 0.97 A 77 THR CA C 13 61.442 0.97 A 77 THR N N 15 126.297 0.56 A 78 TRP H H 1 9.173 0.01 A 78 TRP HA H 1 5.670 0.01 A 78 TRP C C 13 174.723 0.97 A 78 TRP CA C 13 48.205 0.97 A 78 TRP N N 15 125.914 0.56 A 79 TYR H H 1 9.322 0.01 A 79 TYR HA H 1 5.317 0.01 A 79 TYR CA C 13 56.699 0.97 A 79 TYR N N 15 120.962 0.56 A 80 ILE H H 1 9.634 0.01 A 80 ILE HA H 1 5.929 0.01 A 80 ILE CA C 13 43.836 0.97 A 80 ILE N N 15 125.201 0.56 A 86 THR HA H 1 3.629 0.01 A 86 THR C C 13 175.273 0.97 A 86 THR CA C 13 60.845 0.97 A 87 LYS H H 1 7.728 0.01 A 87 LYS HA H 1 3.943 0.01 A 87 LYS C C 13 178.969 0.97 A 87 LYS CA C 13 59.326 0.97 A 87 LYS N N 15 121.904 0.56 A 88 CYS H H 1 8.717 0.01 A 88 CYS HA H 1 3.934 0.01 A 88 CYS C C 13 178.168 0.97 A 88 CYS CA C 13 65.201 0.97 A 88 CYS N N 15 121.877 0.56 A 89 ALA H H 1 9.009 0.01 A 89 ALA HA H 1 3.889 0.01 A 89 ALA C C 13 179.782 0.97 A 89 ALA CA C 13 55.300 0.97 A 89 ALA N N 15 120.872 0.56 A 90 ARG H H 1 7.912 0.01 A 90 ARG HA H 1 3.985 0.01 A 90 ARG C C 13 179.333 0.97 A 90 ARG CA C 13 59.353 0.97 A 90 ARG N N 15 117.797 0.56 A 91 ASP H H 1 8.413 0.01 A 91 ASP HA H 1 4.475 0.01 A 91 ASP C C 13 180.593 0.97 A 91 ASP CA C 13 57.329 0.97 A 91 ASP N N 15 121.892 0.56 A 92 MET H H 1 8.986 0.01 A 92 MET HA H 1 4.453 0.01 A 92 MET C C 13 177.594 0.97 A 92 MET CA C 13 56.255 0.97 A 92 MET N N 15 121.165 0.56 A 93 ALA H H 1 8.090 0.01 A 93 ALA HA H 1 3.818 0.01 A 93 ALA C C 13 179.351 0.97 A 93 ALA CA C 13 55.459 0.97 A 93 ALA N N 15 124.315 0.56 A 94 THR H H 1 7.908 0.01 A 94 THR HA H 1 3.854 0.01 A 94 THR C C 13 175.971 0.97 A 94 THR CA C 13 66.140 0.97 A 94 THR N N 15 115.375 0.56 A 95 PHE H H 1 7.845 0.01 A 95 PHE HA H 1 4.189 0.01 A 95 PHE C C 13 178.456 0.97 A 95 PHE CA C 13 61.307 0.97 A 95 PHE N N 15 121.559 0.56 A 96 LEU H H 1 8.493 0.01 A 96 LEU HA H 1 3.751 0.01 A 96 LEU C C 13 179.846 0.97 A 96 LEU CA C 13 57.121 0.97 A 96 LEU N N 15 120.614 0.56 A 97 GLN H H 1 7.971 0.01 A 97 GLN HA H 1 4.072 0.01 A 97 GLN C C 13 177.940 0.97 A 97 GLN CA C 13 57.989 0.97 A 97 GLN N N 15 118.135 0.56 A 98 GLU H H 1 7.473 0.01 A 98 GLU HA H 1 4.222 0.01 A 98 GLU C C 13 176.364 0.97 A 98 GLU CA C 13 56.465 0.97 A 98 GLU N N 15 115.676 0.56 A 99 ASN H H 1 7.520 0.01 A 99 ASN HA H 1 4.986 0.01 A 99 ASN C C 13 174.155 0.97 A 99 ASN CA C 13 51.958 0.97 A 99 ASN N N 15 121.312 0.56 A 100 THR H H 1 7.985 0.01 A 100 THR HA H 1 4.438 0.01 A 100 THR C C 13 174.600 0.97 A 100 THR CA C 13 63.613 0.97 A 100 THR N N 15 111.032 0.56 A 101 HIS C C 13 173.419 0.97 A 101 HIS CA C 13 56.546 0.97 A 102 VAL H H 1 7.561 0.01 A 102 VAL HA H 1 4.643 0.01 A 102 VAL C C 13 174.248 0.97 A 102 VAL CA C 13 61.015 0.97 A 102 VAL N N 15 123.373 0.56 A 103 THR H H 1 8.370 0.01 A 103 THR HA H 1 4.702 0.01 A 103 THR C C 13 173.198 0.97 A 103 THR CA C 13 59.956 0.97 A 103 THR N N 15 119.261 0.56 A 104 LEU H H 1 9.373 0.01 A 104 LEU HA H 1 5.123 0.01 A 104 LEU C C 13 175.009 0.97 A 104 LEU CA C 13 53.231 0.97 A 104 LEU N N 15 128.085 0.56 A 105 THR H H 1 8.561 0.01 A 105 THR HA H 1 4.560 0.01 A 105 THR C C 13 171.873 0.97 A 105 THR CA C 13 61.546 0.97 A 105 THR N N 15 126.064 0.56 A 106 ILE H H 1 9.190 0.01 A 106 ILE HA H 1 4.207 0.01 A 106 ILE C C 13 172.536 0.97 A 106 ILE CA C 13 59.887 0.97 A 106 ILE N N 15 125.679 0.56 A 107 PHE H H 1 9.135 0.01 A 107 PHE HA H 1 5.256 0.01 A 107 PHE C C 13 175.694 0.97 A 107 PHE CA C 13 56.342 0.97 A 107 PHE N N 15 126.337 0.56 A 108 VAL H H 1 8.936 0.01 A 108 VAL HA H 1 5.020 0.01 A 108 VAL C C 13 176.539 0.97 A 108 VAL CA C 13 58.498 0.97 A 108 VAL N N 15 118.789 0.56 A 109 ALA H H 1 8.509 0.01 A 109 ALA HA H 1 4.524 0.01 A 109 ALA C C 13 175.933 0.97 A 109 ALA CA C 13 55.038 0.97 A 109 ALA N N 15 129.108 0.56 A 110 ARG H H 1 6.677 0.01 A 110 ARG HA H 1 4.505 0.01 A 110 ARG C C 13 175.120 0.97 A 110 ARG CA C 13 54.555 0.97 A 110 ARG N N 15 110.165 0.56 A 111 LEU H H 1 7.031 0.01 A 111 LEU HA H 1 4.515 0.01 A 111 LEU CA C 13 53.198 0.97 A 111 LEU N N 15 119.767 0.56 A 117 PRO C C 13 178.666 0.97 A 117 PRO CA C 13 64.996 0.97 A 118 ASP H H 1 8.215 0.01 A 118 ASP HA H 1 4.434 0.01 A 118 ASP C C 13 178.263 0.97 A 118 ASP CA C 13 56.740 0.97 A 118 ASP N N 15 118.659 0.56 A 119 TYR H H 1 7.994 0.01 A 119 TYR HA H 1 4.204 0.01 A 119 TYR C C 13 177.538 0.97 A 119 TYR CA C 13 60.942 0.97 A 119 TYR N N 15 122.818 0.56 A 120 GLN H H 1 7.898 0.01 A 120 GLN HA H 1 3.508 0.01 A 120 GLN C C 13 177.702 0.97 A 120 GLN CA C 13 58.986 0.97 A 120 GLN N N 15 117.143 0.56 A 121 GLU H H 1 7.829 0.01 A 121 GLU HA H 1 3.891 0.01 A 121 GLU C C 13 178.815 0.97 A 121 GLU CA C 13 58.603 0.97 A 121 GLU N N 15 117.707 0.56 A 122 ALA H H 1 7.881 0.01 A 122 ALA HA H 1 3.900 0.01 A 122 ALA C C 13 180.296 0.97 A 122 ALA CA C 13 54.949 0.97 A 122 ALA N N 15 123.710 0.56 A 123 LEU H H 1 8.073 0.01 A 123 LEU HA H 1 3.791 0.01 A 123 LEU C C 13 179.075 0.97 A 123 LEU CA C 13 57.537 0.97 A 123 LEU N N 15 119.307 0.56 A 124 ARG H H 1 8.074 0.01 A 124 ARG HA H 1 3.832 0.01 A 124 ARG C C 13 179.745 0.97 A 124 ARG CA C 13 60.155 0.97 A 124 ARG N N 15 118.146 0.56 A 125 SER H H 1 8.471 0.01 A 125 SER HA H 1 4.151 0.01 A 125 SER C C 13 176.389 0.97 A 125 SER CA C 13 54.752 0.97 A 125 SER N N 15 117.399 0.56 A 126 LEU H H 1 7.621 0.01 A 126 LEU HA H 1 3.970 0.01 A 126 LEU C C 13 177.721 0.97 A 126 LEU CA C 13 57.423 0.97 A 126 LEU N N 15 125.924 0.56 A 127 ALA H H 1 7.973 0.01 A 127 ALA HA H 1 4.676 0.01 A 127 ALA C C 13 182.614 0.97 A 127 ALA CA C 13 53.974 0.97 A 127 ALA N N 15 122.932 0.56 A 128 GLN H H 1 8.690 0.01 A 128 GLN HA H 1 4.029 0.01 A 128 GLN C C 13 177.613 0.97 A 128 GLN CA C 13 58.051 0.97 A 128 GLN N N 15 120.408 0.56 A 129 ALA H H 1 7.542 0.01 A 129 ALA HA H 1 4.283 0.01 A 129 ALA C C 13 177.019 0.97 A 129 ALA CA C 13 52.171 0.97 A 129 ALA N N 15 120.391 0.56 A 130 GLY H H 1 7.760 0.01 A 130 GLY HA2 H 1 3.607 0.01 A 130 GLY HA3 H 1 4.383 0.01 A 130 GLY C C 13 175.291 0.97 A 130 GLY CA C 13 44.275 0.97 A 130 GLY N N 15 104.533 0.56 A 131 ALA H H 1 7.543 0.01 A 131 ALA HA H 1 4.587 0.01 A 131 ALA C C 13 177.045 0.97 A 131 ALA CA C 13 51.614 0.97 A 131 ALA N N 15 124.759 0.56 A 132 THR H H 1 7.983 0.01 A 132 THR HA H 1 4.293 0.01 A 132 THR C C 13 172.940 0.97 A 132 THR CA C 13 62.285 0.97 A 132 THR N N 15 120.565 0.56 A 133 ILE H H 1 8.641 0.01 A 133 ILE HA H 1 4.705 0.01 A 133 ILE C C 13 173.707 0.97 A 133 ILE CA C 13 59.898 0.97 A 133 ILE N N 15 128.874 0.56 A 134 LYS H H 1 8.878 0.01 A 134 LYS HA H 1 4.490 0.01 A 134 LYS C C 13 174.736 0.97 A 134 LYS CA C 13 53.906 0.97 A 134 LYS N N 15 125.904 0.56 A 135 ILE H H 1 8.601 0.01 A 135 ILE HA H 1 4.644 0.01 A 135 ILE C C 13 177.563 0.97 A 135 ILE CA C 13 56.834 0.97 A 135 ILE N N 15 121.444 0.56 A 136 MET H H 1 8.550 0.01 A 136 MET HA H 1 3.741 0.01 A 136 MET C C 13 174.070 0.97 A 136 MET CA C 13 58.298 0.97 A 136 MET N N 15 124.557 0.56 A 137 ASN H H 1 9.480 0.01 A 137 ASN HA H 1 5.008 0.01 A 137 ASN C C 13 174.733 0.97 A 137 ASN CA C 13 50.894 0.97 A 137 ASN N N 15 126.678 0.56 A 138 TYR H H 1 9.914 0.01 A 138 TYR HA H 1 3.841 0.01 A 138 TYR C C 13 176.154 0.97 A 138 TYR CA C 13 63.811 0.97 A 138 TYR N N 15 123.587 0.56 A 139 ASP H H 1 8.976 0.01 A 139 ASP HA H 1 4.116 0.01 A 139 ASP C C 13 179.067 0.97 A 139 ASP CA C 13 57.491 0.97 A 139 ASP N N 15 116.024 0.56 A 140 GLU H H 1 7.540 0.01 A 140 GLU HA H 1 3.826 0.01 A 140 GLU C C 13 178.692 0.97 A 140 GLU CA C 13 60.600 0.97 A 140 GLU N N 15 118.087 0.56 A 141 PHE H H 1 8.032 0.01 A 141 PHE HA H 1 3.788 0.01 A 141 PHE C C 13 176.881 0.97 A 141 PHE CA C 13 62.703 0.97 A 141 PHE N N 15 119.608 0.56 A 142 GLN H H 1 8.223 0.01 A 142 GLN HA H 1 4.021 0.01 A 142 GLN C C 13 177.945 0.97 A 142 GLN CA C 13 58.779 0.97 A 142 GLN N N 15 118.759 0.56 A 143 HIS H H 1 7.924 0.01 A 143 HIS HA H 1 3.978 0.01 A 143 HIS C C 13 177.147 0.97 A 143 HIS CA C 13 59.367 0.97 A 143 HIS N N 15 120.774 0.56 A 144 CYS H H 1 7.892 0.01 A 144 CYS HA H 1 3.838 0.01 A 144 CYS C C 13 176.233 0.97 A 144 CYS CA C 13 62.852 0.97 A 144 CYS N N 15 117.600 0.56 A 145 TRP H H 1 8.201 0.01 A 145 TRP HA H 1 3.269 0.01 A 145 TRP C C 13 177.085 0.97 A 145 TRP CA C 13 59.453 0.97 A 145 TRP N N 15 120.806 0.56 A 146 SER H H 1 8.032 0.01 A 146 SER C C 13 176.199 0.97 A 146 SER CA C 13 60.827 0.97 A 146 SER N N 15 111.555 0.56 A 147 LYS H H 1 7.684 0.01 A 147 LYS HA H 1 3.974 0.01 A 147 LYS C C 13 177.448 0.97 A 147 LYS CA C 13 55.464 0.97 A 147 LYS N N 15 115.563 0.56 A 148 PHE H H 1 8.134 0.01 A 148 PHE HA H 1 4.477 0.01 A 148 PHE C C 13 174.293 0.97 A 148 PHE CA C 13 58.180 0.97 A 148 PHE N N 15 113.648 0.56 A 149 VAL H H 1 6.787 0.01 A 149 VAL HA H 1 4.109 0.01 A 149 VAL C C 13 175.690 0.97 A 149 VAL CA C 13 60.309 0.97 A 149 VAL N N 15 119.139 0.56 A 150 TYR H H 1 8.552 0.01 A 150 TYR HA H 1 4.564 0.01 A 150 TYR C C 13 173.826 0.97 A 150 TYR CA C 13 55.580 0.97 A 150 TYR N N 15 129.042 0.56 A 151 SER H H 1 7.787 0.01 A 151 SER HA H 1 4.585 0.01 A 151 SER C C 13 176.209 0.97 A 151 SER CA C 13 57.497 0.97 A 151 SER N N 15 119.931 0.56 A 152 GLN H H 1 8.386 0.01 A 152 GLN HA H 1 3.715 0.01 A 152 GLN C C 13 175.787 0.97 A 152 GLN CA C 13 56.476 0.97 A 152 GLN N N 15 120.381 0.56 A 153 GLY H H 1 8.047 0.01 A 153 GLY HA2 H 1 3.531 0.01 A 153 GLY HA3 H 1 4.043 0.01 A 153 GLY C C 13 174.309 0.97 A 153 GLY CA C 13 44.902 0.97 A 153 GLY N N 15 106.086 0.56 A 154 ALA H H 1 7.562 0.01 A 154 ALA HA H 1 4.582 0.01 A 154 ALA C C 13 176.022 0.97 A 154 ALA CA C 13 49.894 0.97 A 154 ALA N N 15 125.790 0.56 A 155 PRO C C 13 175.578 0.97 A 155 PRO CA C 13 61.661 0.97 A 156 PHE H H 1 8.288 0.01 A 156 PHE HA H 1 2.346 0.01 A 156 PHE C C 13 174.254 0.97 A 156 PHE CA C 13 56.414 0.97 A 156 PHE N N 15 121.116 0.56 A 157 GLN H H 1 7.205 0.01 A 157 GLN HA H 1 4.306 0.01 A 157 GLN C C 13 171.628 0.97 A 157 GLN CA C 13 50.515 0.97 A 157 GLN N N 15 129.600 0.56 A 158 PRO C C 13 175.224 0.97 A 158 PRO CA C 13 61.723 0.97 A 159 TRP H H 1 5.628 0.01 A 159 TRP HA H 1 4.698 0.01 A 159 TRP C C 13 175.906 0.97 A 159 TRP CA C 13 54.528 0.97 A 159 TRP N N 15 117.795 0.56 A 160 ASP H H 1 8.766 0.01 A 160 ASP HA H 1 4.323 0.01 A 160 ASP C C 13 177.598 0.97 A 160 ASP CA C 13 55.395 0.97 A 160 ASP N N 15 122.363 0.56 A 161 GLY H H 1 8.887 0.01 A 161 GLY HA2 H 1 3.902 0.01 A 161 GLY HA3 H 1 4.072 0.01 A 161 GLY C C 13 173.833 0.97 A 161 GLY CA C 13 45.382 0.97 A 161 GLY N N 15 111.982 0.56 A 162 LEU H H 1 7.078 0.01 A 162 LEU HA H 1 4.272 0.01 A 162 LEU C C 13 179.345 0.97 A 162 LEU CA C 13 60.554 0.97 A 162 LEU N N 15 121.971 0.56 A 163 ASP H H 1 8.679 0.01 A 163 ASP HA H 1 4.459 0.01 A 163 ASP C C 13 178.182 0.97 A 163 ASP CA C 13 57.108 0.97 A 163 ASP N N 15 118.366 0.56 A 164 GLU H H 1 8.374 0.01 A 164 GLU HA H 1 3.935 0.01 A 164 GLU C C 13 180.355 0.97 A 164 GLU CA C 13 59.614 0.97 A 164 GLU N N 15 121.998 0.56 A 165 HIS H H 1 8.707 0.01 A 165 HIS HA H 1 4.602 0.01 A 165 HIS C C 13 178.924 0.97 A 165 HIS CA C 13 59.393 0.97 A 165 HIS N N 15 120.268 0.56 A 166 SER H H 1 8.649 0.01 A 166 SER HA H 1 4.400 0.01 A 166 SER C C 13 177.421 0.97 A 166 SER CA C 13 63.202 0.97 A 166 SER N N 15 118.252 0.56 A 167 GLN H H 1 8.645 0.01 A 167 GLN HA H 1 4.176 0.01 A 167 GLN C C 13 179.643 0.97 A 167 GLN CA C 13 58.782 0.97 A 167 GLN N N 15 121.647 0.56 A 168 ALA H H 1 8.092 0.01 A 168 ALA HA H 1 4.249 0.01 A 168 ALA C C 13 181.949 0.97 A 168 ALA CA C 13 54.880 0.97 A 168 ALA N N 15 124.242 0.56 A 169 LEU H H 1 8.526 0.01 A 169 LEU HA H 1 4.087 0.01 A 169 LEU C C 13 179.159 0.97 A 169 LEU CA C 13 57.603 0.97 A 169 LEU N N 15 120.509 0.56 A 170 SER H H 1 8.853 0.01 A 170 SER HA H 1 4.128 0.01 A 170 SER C C 13 178.370 0.97 A 170 SER CA C 13 62.240 0.97 A 170 SER N N 15 117.410 0.56 A 171 GLY H H 1 8.175 0.01 A 171 GLY HA2 H 1 4.150 0.01 A 171 GLY HA3 H 1 3.965 0.01 A 171 GLY C C 13 176.376 0.97 A 171 GLY CA C 13 46.673 0.97 A 171 GLY N N 15 111.058 0.56 A 172 ARG H H 1 7.578 0.01 A 172 ARG HA H 1 4.191 0.01 A 172 ARG C C 13 178.807 0.97 A 172 ARG CA C 13 58.189 0.97 A 172 ARG N N 15 123.131 0.56 A 173 LEU H H 1 8.813 0.01 A 173 LEU HA H 1 3.992 0.01 A 173 LEU C C 13 178.396 0.97 A 173 LEU CA C 13 57.461 0.97 A 173 LEU N N 15 120.594 0.56 A 174 GLY H H 1 8.221 0.01 A 174 GLY HA2 H 1 3.755 0.01 A 174 GLY HA3 H 1 3.929 0.01 A 174 GLY C C 13 176.170 0.97 A 174 GLY CA C 13 46.641 0.97 A 174 GLY N N 15 105.456 0.56 A 175 GLU H H 1 7.478 0.01 A 175 GLU HA H 1 4.080 0.01 A 175 GLU C C 13 179.100 0.97 A 175 GLU CA C 13 58.450 0.97 A 175 GLU N N 15 120.171 0.56 A 176 ILE H H 1 7.755 0.01 A 176 ILE HA H 1 3.680 0.01 A 176 ILE C C 13 177.560 0.97 A 176 ILE CA C 13 64.476 0.97 A 176 ILE N N 15 119.642 0.56 A 177 LEU H H 1 8.067 0.01 A 177 LEU HA H 1 4.091 0.01 A 177 LEU C C 13 177.520 0.97 A 177 LEU CA C 13 55.252 0.97 A 177 LEU N N 15 116.019 0.56 A 178 ARG H H 1 7.566 0.01 A 178 ARG HA H 1 4.139 0.01 A 178 ARG C C 13 175.953 0.97 A 178 ARG CA C 13 56.683 0.97 A 178 ARG N N 15 118.755 0.56 A 179 HIS H H 1 8.140 0.01 A 179 HIS HA H 1 4.612 0.01 A 179 HIS C C 13 174.365 0.97 A 179 HIS CA C 13 55.781 0.97 A 179 HIS N N 15 120.648 0.56 A 180 SER H H 1 8.010 0.01 A 180 SER C C 13 178.724 0.97 A 180 SER CA C 13 59.847 0.97 A 180 SER N N 15 123.174 0.56 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 1 MET HA A 2 ASP H 1.0 1.8 3.0 2 2 A 2 ASP H A 1 MET HBx 1.0 1.8 4.3 3 2 A 1 MET HBy A 2 ASP H 1.0 1.8 4.3 4 3 A 4 ASP HA A 4 ASP H 1.0 1.8 3.0 5 4 A 4 ASP H A 4 ASP HBy 1.0 1.8 2.5 6 5 A 4 ASP H A 4 ASP HBx 1.0 1.8 2.5 7 6 A 4 ASP H A 5 THR H 1.0 1.8 2.5 8 7 A 4 ASP H A 149 VAL HG11 1.0 1.8 5.0 9 8 A 4 ASP HA A 5 THR H 1.0 1.8 3.5 10 9 A 4 ASP HBy A 5 THR H 1.0 1.8 3.0 11 10 A 4 ASP HBx A 5 THR H 1.0 1.8 3.0 12 11 A 5 THR HA A 5 THR HB 1.0 1.8 3.5 13 12 A 5 THR H A 5 THR HA 1.0 1.8 3.0 14 13 A 5 THR H A 5 THR HB 1.0 1.8 3.5 15 14 A 5 THR HA A 5 THR HG21 1.0 1.8 5.5 16 15 A 5 THR H A 5 THR HG21 1.0 1.8 5.0 17 16 A 5 THR HB A 149 VAL HG21 1.0 1.8 6.5 18 17 A 5 THR HB A 6 PHE H 1.0 1.8 3.5 19 18 A 6 PHE H A 6 PHE HA 1.0 1.8 3.5 20 19 A 6 PHE H A 6 PHE HBy 1.0 1.8 3.0 21 20 A 6 PHE H A 6 PHE HBx 1.0 1.8 3.0 22 21 A 6 PHE H A 6 PHE HD% 1.0 1.8 4.5 23 22 A 6 PHE H A 7 SER H 1.0 1.8 3.0 24 23 A 6 PHE HD% A 10 PHE HBy 1.0 1.8 4.5 25 24 A 6 PHE HD% A 10 PHE HBx 1.0 1.8 5.0 26 25 A 6 PHE HD% A 141 PHE HBy 1.0 1.8 4.5 27 26 A 6 PHE HD% A 144 CYS HBx 1.0 1.8 4.5 28 27 A 149 VAL HG11 A 6 PHE H 1.0 1.8 6.5 29 28 A 149 VAL HG11 A 6 PHE HBy 1.0 1.8 6.5 30 29 A 149 VAL HG11 A 6 PHE HD% 1.0 1.8 7.0 31 30 A 149 VAL HG21 A 6 PHE HA 1.0 1.8 6.5 32 31 A 149 VAL HG21 A 6 PHE H 1.0 1.8 5.0 33 32 A 149 VAL HG21 A 6 PHE HBy 1.0 1.8 5.5 34 33 A 149 VAL HG21 A 6 PHE HBx 1.0 1.8 5.5 35 34 A 149 VAL HG21 A 6 PHE HD% 1.0 1.8 6.0 36 35 A 5 THR HA A 8 TYR H 1.0 1.8 4.0 37 36 A 5 THR HA A 8 TYR HD% 1.0 1.8 4.5 38 37 A 5 THR HG21 A 8 TYR HD% 1.0 1.8 5.5 39 38 A 7 SER H A 8 TYR H 1.0 1.8 3.5 40 39 A 8 TYR H A 8 TYR HA 1.0 1.8 3.0 41 40 A 8 TYR HD% A 8 TYR HA 1.0 1.8 4.0 42 41 A 8 TYR HA A 8 TYR HBy 1.0 1.8 3.5 43 42 A 8 TYR H A 8 TYR HBy 1.0 1.8 3.5 44 43 A 8 TYR HD% A 8 TYR HBy 1.0 1.8 3.5 45 44 A 8 TYR HA A 8 TYR HBx 1.0 1.8 4.0 46 45 A 8 TYR H A 8 TYR HBx 1.0 1.8 3.5 47 46 A 8 TYR HD% A 8 TYR HBx 1.0 1.8 4.0 48 47 A 8 TYR H A 8 TYR HD% 1.0 1.8 5.0 49 48 A 6 PHE HA A 9 ASN H 1.0 1.8 3.5 50 49 A 8 TYR HA A 9 ASN H 1.0 1.8 3.5 51 50 A 8 TYR H A 9 ASN H 1.0 1.8 3.0 52 51 A 8 TYR HBy A 9 ASN H 1.0 1.8 3.5 53 52 A 8 TYR HBx A 9 ASN H 1.0 1.8 3.5 54 53 A 8 TYR HD% A 9 ASN H 1.0 1.8 4.0 55 54 A 9 ASN H A 9 ASN HA 1.0 1.8 3.5 56 55 A 9 ASN HA A 9 ASN HBy 1.0 1.8 3.5 57 56 A 9 ASN H A 9 ASN HBy 1.0 1.8 3.5 58 57 A 9 ASN HA A 9 ASN HBx 1.0 1.8 3.5 59 58 A 9 ASN H A 9 ASN HBx 1.0 1.8 3.5 60 59 A 9 ASN H A 10 PHE H 1.0 1.8 3.0 61 60 A 6 PHE HA A 10 PHE HD% 1.0 1.8 5.0 62 61 A 6 PHE HBy A 10 PHE HD% 1.0 1.8 5.0 63 62 A 9 ASN HA A 10 PHE H 1.0 1.8 4.0 64 63 A 9 ASN HBy A 10 PHE H 1.0 1.8 3.5 65 64 A 9 ASN HBx A 10 PHE H 1.0 1.8 4.0 66 65 A 10 PHE H A 10 PHE HA 1.0 1.8 3.5 67 66 A 10 PHE HD% A 10 PHE HA 1.0 1.8 5.0 68 67 A 10 PHE HBy A 10 PHE H 1.0 1.8 3.5 69 68 A 10 PHE HBx A 10 PHE H 1.0 1.8 3.0 70 69 A 10 PHE H A 10 PHE HD% 1.0 1.8 4.0 71 70 A 10 PHE H A 11 ASN H 1.0 1.8 3.0 72 71 A 10 PHE HZ A 25 CYS HBx 1.0 1.8 4.3 73 71 A 25 CYS HBy A 10 PHE HZ 1.0 1.8 4.3 74 72 A 10 PHE HZ A 79 TYR HBy 1.0 1.8 4.0 75 73 A 144 CYS HBy A 10 PHE HE% 1.0 1.8 5.0 76 74 A 10 PHE HA A 11 ASN H 1.0 1.8 3.5 77 75 A 10 PHE HBy A 11 ASN H 1.0 1.8 4.0 78 76 A 11 ASN H A 11 ASN HBy 1.0 1.8 3.5 79 77 A 11 ASN H A 11 ASN HBx 1.0 1.8 3.5 80 78 A 11 ASN HBy A 12 ASN H 1.0 1.8 4.0 81 79 A 11 ASN HBx A 12 ASN H 1.0 1.8 4.0 82 80 A 12 ASN H A 12 ASN HA 1.0 1.8 3.5 83 81 A 12 ASN H A 12 ASN HBx 1.0 1.8 3.8 84 81 A 12 ASN H A 12 ASN HBy 1.0 1.8 3.8 85 82 A 12 ASN H A 159 TRP HE1 1.0 1.8 3.5 86 83 A 12 ASN H A 159 TRP HZ2 1.0 1.8 3.0 87 84 A 12 ASN HA A 13 ARG H 1.0 1.8 4.0 88 85 A 12 ASN H A 13 ARG H 1.0 1.8 2.5 89 86 A 13 ARG H A 12 ASN HBx 1.0 1.8 4.3 90 86 A 12 ASN HBy A 13 ARG H 1.0 1.8 4.3 91 87 A 13 ARG H A 13 ARG HA 1.0 1.8 3.5 92 88 A 13 ARG H A 13 ARG HBx 1.0 1.8 3.8 93 88 A 13 ARG H A 13 ARG HBy 1.0 1.8 3.8 94 89 A 13 ARG H A 13 ARG HDy 1.0 1.8 3.0 95 90 A 13 ARG H A 13 ARG HDx 1.0 1.8 3.5 96 91 A 13 ARG H A 13 ARG HGy 1.0 1.8 3.0 97 92 A 159 TRP HE1 A 13 ARG H 1.0 1.8 3.5 98 93 A 159 TRP HZ2 A 13 ARG H 1.0 1.8 3.5 99 94 A 15 ILE HA A 15 ILE H 1.0 1.8 2.5 100 95 A 15 ILE HA A 15 ILE HB 1.0 1.8 3.0 101 96 A 15 ILE H A 15 ILE HB 1.0 1.8 3.0 102 97 A 15 ILE HB A 15 ILE HD11 1.0 1.8 5.5 103 98 A 15 ILE HB A 15 ILE HG1y 1.0 1.8 5.0 104 99 A 15 ILE HA A 15 ILE HD11 1.0 1.8 5.5 105 100 A 15 ILE H A 15 ILE HD11 1.0 1.8 4.0 106 101 A 15 ILE HA A 15 ILE HG1y 1.0 1.8 5.0 107 102 A 15 ILE HA A 15 ILE HG1x 1.0 1.8 3.5 108 103 A 15 ILE H A 15 ILE HG1x 1.0 1.8 3.0 109 104 A 15 ILE HG1x A 15 ILE HG21 1.0 1.8 5.5 110 105 A 15 ILE HA A 15 ILE HG21 1.0 1.8 5.5 111 106 A 16 LEU HA A 16 LEU H 1.0 1.8 4.0 112 107 A 16 LEU HA A 16 LEU HBx 1.0 1.8 3.8 113 107 A 16 LEU HA A 16 LEU HBy 1.0 1.8 3.8 114 108 A 16 LEU H A 16 LEU HBx 1.0 1.8 4.3 115 108 A 16 LEU H A 16 LEU HBy 1.0 1.8 4.3 116 109 A 16 LEU HA A 16 LEU HD11 1.0 1.8 5.5 117 110 A 16 LEU H A 16 LEU HD11 1.0 1.8 5.5 118 111 A 21 THR HB A 21 THR HA 1.0 1.8 5.0 119 112 A 21 THR HA A 21 THR HG21 1.0 1.8 5.5 120 113 A 21 THR HB A 21 THR HG21 1.0 1.8 5.5 121 114 A 22 VAL HB A 22 VAL HA 1.0 1.8 5.0 122 115 A 22 VAL HA A 22 VAL HG11 1.0 1.8 5.5 123 116 A 22 VAL HA A 22 VAL HG21 1.0 1.8 5.5 124 117 A 24 LEU HBy A 24 LEU HD11 1.0 1.8 5.5 125 118 A 24 LEU HD11 A 24 LEU HA 1.0 1.8 5.5 126 119 A 24 LEU HA A 25 CYS H 1.0 1.8 4.0 127 120 A 25 CYS H A 24 LEU HBx 1.0 1.8 4.0 128 121 A 24 LEU HD11 A 25 CYS H 1.0 1.8 5.0 129 122 A 25 CYS HA A 25 CYS HBx 1.0 1.8 6.3 130 122 A 25 CYS HBy A 25 CYS HA 1.0 1.8 6.3 131 123 A 25 CYS H A 25 CYS HBx 1.0 1.8 4.3 132 123 A 25 CYS HBy A 25 CYS H 1.0 1.8 4.3 133 124 A 25 CYS HA A 46 GLN HA 1.0 1.8 6.0 134 125 A 79 TYR HBy A 25 CYS H 1.0 1.8 4.0 135 126 A 25 CYS H A 79 TYR HBx 1.0 1.8 4.0 136 127 A 25 CYS H A 80 ILE HA 1.0 1.8 4.0 137 128 A 24 LEU HD11 A 26 TYR H 1.0 1.8 5.5 138 129 A 24 LEU HD11 A 26 TYR HBy 1.0 1.8 4.5 139 130 A 24 LEU HD11 A 26 TYR HBx 1.0 1.8 6.5 140 131 A 24 LEU HD11 A 26 TYR HD% 1.0 1.8 6.0 141 132 A 24 LEU HD11 A 26 TYR HE% 1.0 1.8 6.0 142 133 A 26 TYR H A 26 TYR HA 1.0 1.8 4.0 143 134 A 26 TYR HBy A 26 TYR HA 1.0 1.8 3.5 144 135 A 26 TYR H A 26 TYR HBy 1.0 1.8 3.0 145 136 A 26 TYR HBy A 26 TYR HD% 1.0 1.8 4.0 146 137 A 26 TYR HBx A 26 TYR HA 1.0 1.8 3.5 147 138 A 26 TYR HBx A 26 TYR HD% 1.0 1.8 4.5 148 139 A 26 TYR H A 26 TYR HD% 1.0 1.8 4.0 149 140 A 26 TYR HD% A 28 VAL HG11 1.0 1.8 5.0 150 141 A 26 TYR HE% A 28 VAL HG11 1.0 1.8 5.0 151 142 A 26 TYR HD% A 28 VAL HG21 1.0 1.8 5.5 152 143 A 26 TYR HE% A 28 VAL HG21 1.0 1.8 6.0 153 144 A 26 TYR H A 45 GLY H 1.0 1.8 3.0 154 145 A 46 GLN HA A 26 TYR H 1.0 1.8 3.5 155 146 A 26 TYR HE% A 62 LEU HD21 1.0 1.8 7.0 156 147 A 26 TYR HBx A 76 VAL HG11 1.0 1.8 5.5 157 148 A 26 TYR HA A 78 TRP HA 1.0 1.8 4.5 158 149 A 26 TYR HA A 27 GLU H 1.0 1.8 3.0 159 150 A 26 TYR HBx A 27 GLU H 1.0 1.8 3.5 160 151 A 26 TYR HD% A 27 GLU H 1.0 1.8 4.5 161 152 A 76 VAL HG11 A 27 GLU H 1.0 1.8 5.0 162 153 A 27 GLU H A 77 THR HB 1.0 1.8 3.5 163 154 A 27 GLU H A 77 THR H 1.0 1.8 3.5 164 155 A 78 TRP HA A 27 GLU H 1.0 1.8 4.5 165 156 A 27 GLU H A 78 TRP HD1 1.0 1.8 3.5 166 157 A 26 TYR HD% A 28 VAL H 1.0 1.8 5.5 167 158 A 28 VAL H A 28 VAL HA 1.0 1.8 4.0 168 159 A 28 VAL HG21 A 28 VAL HA 1.0 1.8 6.5 169 160 A 28 VAL HA A 28 VAL HB 1.0 1.8 6.0 170 161 A 28 VAL H A 28 VAL HB 1.0 1.8 3.5 171 162 A 28 VAL HG11 A 28 VAL HA 1.0 1.8 5.0 172 163 A 28 VAL HG11 A 28 VAL H 1.0 1.8 5.0 173 164 A 28 VAL HG21 A 28 VAL HA 1.0 1.8 5.5 174 165 A 28 VAL HG21 A 28 VAL H 1.0 1.8 5.0 175 166 A 28 VAL H A 42 ILE HG21 1.0 1.8 5.0 176 167 A 28 VAL H A 43 PHE H 1.0 1.8 3.5 177 168 A 28 VAL H A 43 PHE HBx 1.0 1.8 4.8 178 168 A 28 VAL H A 43 PHE HBy 1.0 1.8 4.8 179 169 A 28 VAL H A 43 PHE HD% 1.0 1.8 5.0 180 170 A 28 VAL H A 44 ARG HA 1.0 1.8 3.5 181 171 A 28 VAL HA A 76 VAL HA 1.0 1.8 4.0 182 172 A 28 VAL HA A 76 VAL HG21 1.0 1.8 6.5 183 173 A 28 VAL HA A 29 LYS H 1.0 1.8 3.0 184 174 A 29 LYS H A 29 LYS HA 1.0 1.8 4.0 185 175 A 29 LYS HA A 29 LYS HBy 1.0 1.8 5.0 186 176 A 29 LYS H A 29 LYS HBy 1.0 1.8 3.5 187 177 A 29 LYS HA A 29 LYS HBx 1.0 1.8 6.0 188 178 A 29 LYS H A 29 LYS HBx 1.0 1.8 3.5 189 179 A 29 LYS H A 29 LYS HDx 1.0 1.8 4.8 190 179 A 29 LYS H A 29 LYS HDy 1.0 1.8 4.8 191 180 A 29 LYS H A 29 LYS HGx 1.0 1.8 4.3 192 180 A 29 LYS H A 29 LYS HGy 1.0 1.8 4.3 193 181 A 42 ILE HD11 A 29 LYS HEx 1.0 1.8 6.8 194 181 A 42 ILE HD11 A 29 LYS HEy 1.0 1.8 6.8 195 182 A 76 VAL HA A 29 LYS H 1.0 1.8 3.5 196 183 A 76 VAL HG11 A 29 LYS H 1.0 1.8 4.5 197 184 A 76 VAL HG21 A 29 LYS H 1.0 1.8 5.0 198 185 A 29 LYS HA A 30 THR H 1.0 1.8 3.0 199 186 A 29 LYS HBy A 30 THR H 1.0 1.8 3.5 200 187 A 30 THR H A 29 LYS HGx 1.0 1.8 4.3 201 187 A 29 LYS HGy A 30 THR H 1.0 1.8 4.3 202 188 A 30 THR H A 30 THR HA 1.0 1.8 3.0 203 189 A 30 THR HA A 30 THR HB 1.0 1.8 3.5 204 190 A 30 THR H A 30 THR HB 1.0 1.8 3.5 205 191 A 30 THR HA A 30 THR HG21 1.0 1.8 5.5 206 192 A 30 THR H A 30 THR HG21 1.0 1.8 4.5 207 193 A 30 THR HA A 31 LYS H 1.0 1.8 3.0 208 194 A 30 THR HB A 31 LYS H 1.0 1.8 3.5 209 195 A 30 THR HG21 A 31 LYS H 1.0 1.8 4.5 210 196 A 31 LYS H A 31 LYS HGy 1.0 1.8 3.5 211 197 A 31 LYS H A 32 GLY H 1.0 1.8 4.5 212 198 A 31 LYS H A 73 GLU H 1.0 1.8 4.0 213 199 A 31 LYS H A 74 TYR HA 1.0 1.8 4.0 214 200 A 31 LYS H A 74 TYR HD% 1.0 1.8 4.5 215 201 A 31 LYS H A 75 GLU H 1.0 1.8 4.0 216 202 A 30 THR HG21 A 32 GLY H 1.0 1.8 5.0 217 203 A 32 GLY H A 31 LYS HBx 1.0 1.8 4.3 218 203 A 32 GLY H A 31 LYS HBy 1.0 1.8 4.3 219 204 A 32 GLY H A 31 LYS HDx 1.0 1.8 4.3 220 204 A 32 GLY H A 31 LYS HDy 1.0 1.8 4.3 221 205 A 32 GLY H A 31 LYS HGx 1.0 1.8 3.5 222 206 A 34 SER HA A 34 SER H 1.0 1.8 3.5 223 207 A 34 SER HA A 34 SER HBx 1.0 1.8 3.8 224 207 A 34 SER HA A 34 SER HBy 1.0 1.8 3.8 225 208 A 34 SER H A 34 SER HBx 1.0 1.8 4.3 226 208 A 34 SER H A 34 SER HBy 1.0 1.8 4.3 227 209 A 34 SER HA A 35 ARG H 1.0 1.8 3.0 228 210 A 35 ARG H A 34 SER HBx 1.0 1.8 3.8 229 210 A 34 SER HBy A 35 ARG H 1.0 1.8 3.8 230 211 A 35 ARG H A 35 ARG HBx 1.0 1.8 4.8 231 211 A 35 ARG H A 35 ARG HBy 1.0 1.8 4.8 232 212 A 35 ARG H A 35 ARG HGy 1.0 1.8 3.5 233 213 A 35 ARG H A 35 ARG HGx 1.0 1.8 3.0 234 214 A 38 LEU HA A 38 LEU H 1.0 1.8 4.0 235 215 A 38 LEU HA A 38 LEU HBy 1.0 1.8 5.0 236 216 A 38 LEU H A 38 LEU HBy 1.0 1.8 3.5 237 217 A 38 LEU HA A 38 LEU HBx 1.0 1.8 5.0 238 218 A 38 LEU H A 38 LEU HBx 1.0 1.8 3.0 239 219 A 38 LEU HA A 38 LEU HD11 1.0 1.8 5.5 240 220 A 38 LEU H A 38 LEU HD11 1.0 1.8 5.5 241 221 A 38 LEU HA A 39 ASP H 1.0 1.8 3.0 242 222 A 38 LEU HBy A 39 ASP H 1.0 1.8 3.5 243 223 A 38 LEU HBx A 39 ASP H 1.0 1.8 3.5 244 224 A 39 ASP H A 39 ASP HA 1.0 1.8 3.0 245 225 A 39 ASP H A 39 ASP HBx 1.0 1.8 3.8 246 225 A 39 ASP H A 39 ASP HBy 1.0 1.8 3.8 247 226 A 39 ASP H A 40 ALA H 1.0 1.8 3.0 248 227 A 39 ASP H A 40 ALA H 1.0 1.8 3.0 249 228 A 40 ALA H A 39 ASP HBx 1.0 1.8 3.8 250 228 A 39 ASP HBy A 40 ALA H 1.0 1.8 3.8 251 229 A 40 ALA H A 40 ALA HA 1.0 1.8 3.0 252 230 A 40 ALA HA A 40 ALA HB1 1.0 1.8 5.5 253 231 A 40 ALA H A 40 ALA HB1 1.0 1.8 4.0 254 232 A 41 LYS HA A 41 LYS HGx 1.0 1.8 4.3 255 232 A 41 LYS HGy A 41 LYS HA 1.0 1.8 4.3 256 233 A 29 LYS HA A 42 ILE HA 1.0 1.8 4.0 257 234 A 40 ALA HB1 A 42 ILE H 1.0 1.8 4.5 258 235 A 42 ILE H A 41 LYS H 1.0 1.8 3.5 259 236 A 42 ILE H A 41 LYS HBx 1.0 1.8 5.3 260 236 A 42 ILE H A 41 LYS HBy 1.0 1.8 5.3 261 237 A 42 ILE HA A 42 ILE H 1.0 1.8 3.5 262 238 A 42 ILE HA A 42 ILE HB 1.0 1.8 4.0 263 239 A 42 ILE HA A 42 ILE HB 1.0 1.8 5.0 264 240 A 42 ILE H A 42 ILE HB 1.0 1.8 3.0 265 241 A 42 ILE HD11 A 42 ILE HB 1.0 1.8 5.5 266 242 A 42 ILE HD11 A 42 ILE HA 1.0 1.8 6.5 267 243 A 42 ILE HA A 42 ILE HG1y 1.0 1.8 5.0 268 244 A 42 ILE HA A 42 ILE HG1x 1.0 1.8 5.0 269 245 A 42 ILE HD11 A 42 ILE HG1x 1.0 1.8 5.5 270 246 A 42 ILE HG21 A 42 ILE HA 1.0 1.8 5.5 271 247 A 42 ILE HG21 A 42 ILE H 1.0 1.8 4.5 272 248 A 28 VAL HB A 43 PHE H 1.0 1.8 4.0 273 249 A 28 VAL HG11 A 43 PHE H 1.0 1.8 5.5 274 250 A 28 VAL HG21 A 43 PHE HD% 1.0 1.8 6.0 275 251 A 43 PHE H A 29 LYS HA 1.0 1.8 4.5 276 252 A 43 PHE H A 42 ILE HA 1.0 1.8 3.0 277 253 A 42 ILE HG21 A 43 PHE H 1.0 1.8 5.0 278 254 A 43 PHE HD% A 43 PHE HA 1.0 1.8 4.5 279 255 A 43 PHE HA A 43 PHE HBx 1.0 1.8 4.3 280 255 A 43 PHE HBy A 43 PHE HA 1.0 1.8 4.3 281 256 A 43 PHE H A 43 PHE HBx 1.0 1.8 3.8 282 256 A 43 PHE H A 43 PHE HBy 1.0 1.8 3.8 283 257 A 43 PHE HD% A 43 PHE HBx 1.0 1.8 4.8 284 257 A 43 PHE HBy A 43 PHE HD% 1.0 1.8 4.8 285 258 A 43 PHE H A 43 PHE HD% 1.0 1.8 5.0 286 259 A 43 PHE HA A 44 ARG H 1.0 1.8 3.0 287 260 A 44 ARG H A 43 PHE HBx 1.0 1.8 4.3 288 260 A 43 PHE HBy A 44 ARG H 1.0 1.8 4.3 289 261 A 43 PHE HD% A 44 ARG H 1.0 1.8 4.5 290 262 A 44 ARG HA A 44 ARG H 1.0 1.8 4.0 291 263 A 44 ARG H A 44 ARG HBx 1.0 1.8 3.5 292 264 A 44 ARG H A 44 ARG HGx 1.0 1.8 4.3 293 264 A 44 ARG H A 44 ARG HGy 1.0 1.8 4.3 294 265 A 26 TYR HD% A 45 GLY H 1.0 1.8 5.0 295 266 A 26 TYR HE% A 45 GLY H 1.0 1.8 5.0 296 267 A 45 GLY H A 44 ARG HA 1.0 1.8 3.5 297 268 A 45 GLY H A 44 ARG HBy 1.0 1.8 3.5 298 269 A 45 GLY H A 44 ARG HGx 1.0 1.8 4.8 299 269 A 45 GLY H A 44 ARG HGy 1.0 1.8 4.8 300 270 A 45 GLY H A 45 GLY HAy 1.0 1.8 3.5 301 271 A 45 GLY H A 45 GLY HAx 1.0 1.8 3.5 302 272 A 25 CYS HA A 46 GLN HA 1.0 1.8 6.0 303 273 A 26 TYR HD% A 46 GLN H 1.0 1.8 4.5 304 274 A 26 TYR HE% A 46 GLN H 1.0 1.8 4.5 305 275 A 45 GLY HAy A 46 GLN H 1.0 1.8 3.0 306 276 A 45 GLY HAx A 46 GLN H 1.0 1.8 3.0 307 277 A 46 GLN HA A 46 GLN H 1.0 1.8 3.5 308 278 A 46 GLN H A 46 GLN HBy 1.0 1.8 3.5 309 279 A 46 GLN H A 46 GLN HBx 1.0 1.8 3.0 310 280 A 46 GLN H A 46 GLN HGx 1.0 1.8 4.3 311 280 A 46 GLN H A 46 GLN HGy 1.0 1.8 4.3 312 281 A 24 LEU HD11 A 47 VAL HB 1.0 1.8 6.5 313 282 A 24 LEU HD11 A 47 VAL H 1.0 1.8 6.5 314 283 A 24 LEU HD11 A 47 VAL HG21 1.0 1.8 7.0 315 284 A 46 GLN HA A 47 VAL H 1.0 1.8 4.0 316 285 A 46 GLN HBy A 47 VAL H 1.0 1.8 4.5 317 286 A 46 GLN HBx A 47 VAL H 1.0 1.8 4.5 318 287 A 47 VAL H A 46 GLN HGx 1.0 1.8 5.3 319 287 A 46 GLN HGy A 47 VAL H 1.0 1.8 5.3 320 288 A 47 VAL H A 47 VAL HA 1.0 1.8 4.5 321 289 A 47 VAL HB A 47 VAL HA 1.0 1.8 5.0 322 290 A 47 VAL HB A 47 VAL H 1.0 1.8 4.0 323 291 A 47 VAL HG21 A 47 VAL HA 1.0 1.8 5.5 324 292 A 47 VAL HB A 47 VAL HG21 1.0 1.8 4.0 325 293 A 47 VAL H A 47 VAL HG21 1.0 1.8 4.5 326 294 A 50 GLU H A 51 ASP H 1.0 1.8 3.5 327 295 A 52 LYS HA A 52 LYS H 1.0 1.8 3.5 328 296 A 52 LYS HA A 52 LYS HBx 1.0 1.8 3.8 329 296 A 52 LYS HA A 52 LYS HBy 1.0 1.8 3.8 330 297 A 52 LYS H A 52 LYS HBx 1.0 1.8 3.8 331 297 A 52 LYS H A 52 LYS HBy 1.0 1.8 3.8 332 298 A 52 LYS H A 52 LYS HGy 1.0 1.8 3.5 333 299 A 52 LYS HA A 52 LYS HGx 1.0 1.8 3.5 334 300 A 52 LYS H A 52 LYS HGx 1.0 1.8 4.0 335 301 A 52 LYS H A 53 TYR H 1.0 1.8 3.0 336 302 A 52 LYS HA A 53 TYR H 1.0 1.8 4.0 337 303 A 53 TYR H A 52 LYS HBx 1.0 1.8 4.3 338 303 A 52 LYS HBy A 53 TYR H 1.0 1.8 4.3 339 304 A 53 TYR HA A 53 TYR HD% 1.0 1.8 4.5 340 305 A 53 TYR HA A 53 TYR HBy 1.0 1.8 6.0 341 306 A 53 TYR H A 53 TYR HBy 1.0 1.8 3.0 342 307 A 53 TYR HD% A 53 TYR HBy 1.0 1.8 4.0 343 308 A 53 TYR HA A 53 TYR HBx 1.0 1.8 6.0 344 309 A 53 TYR H A 53 TYR HBx 1.0 1.8 3.0 345 310 A 53 TYR HD% A 53 TYR HBx 1.0 1.8 4.0 346 311 A 53 TYR H A 53 TYR HD% 1.0 1.8 4.5 347 312 A 53 TYR HD% A 57 MET HBy 1.0 1.8 4.5 348 313 A 57 MET HBy A 53 TYR HE% 1.0 1.8 4.5 349 314 A 53 TYR HE% A 57 MET HBx 1.0 1.8 5.0 350 315 A 53 TYR HD% A 58 ARG HBx 1.0 1.8 5.8 351 315 A 53 TYR HD% A 58 ARG HBy 1.0 1.8 5.8 352 316 A 53 TYR HBy A 54 HIS H 1.0 1.8 4.0 353 317 A 53 TYR HD% A 54 HIS H 1.0 1.8 4.5 354 318 A 57 MET H A 56 GLU HGx 1.0 1.8 4.8 355 318 A 56 GLU HGy A 57 MET H 1.0 1.8 4.8 356 319 A 57 MET H A 57 MET HA 1.0 1.8 3.5 357 320 A 57 MET HBy A 57 MET H 1.0 1.8 3.5 358 321 A 57 MET HBx A 57 MET H 1.0 1.8 3.5 359 322 A 57 MET H A 57 MET HGy 1.0 1.8 3.0 360 323 A 57 MET H A 57 MET HGx 1.0 1.8 3.0 361 324 A 57 MET H A 58 ARG H 1.0 1.8 3.0 362 325 A 57 MET HA A 60 LEU HD11 1.0 1.8 5.5 363 326 A 57 MET HA A 60 LEU HD21 1.0 1.8 4.5 364 327 A 57 MET HA A 95 PHE HBx 1.0 1.8 3.5 365 328 A 53 TYR HBy A 58 ARG H 1.0 1.8 4.0 366 329 A 53 TYR HBx A 58 ARG H 1.0 1.8 4.5 367 330 A 57 MET HA A 58 ARG H 1.0 1.8 4.0 368 331 A 57 MET HBy A 58 ARG H 1.0 1.8 6.0 369 332 A 57 MET HBx A 58 ARG H 1.0 1.8 3.5 370 333 A 58 ARG H A 58 ARG HA 1.0 1.8 3.5 371 334 A 58 ARG HA A 58 ARG HBx 1.0 1.8 3.8 372 334 A 58 ARG HBy A 58 ARG HA 1.0 1.8 3.8 373 335 A 58 ARG H A 58 ARG HBx 1.0 1.8 3.8 374 335 A 58 ARG HBy A 58 ARG H 1.0 1.8 3.8 375 336 A 58 ARG H A 58 ARG HDy 1.0 1.8 3.5 376 337 A 58 ARG H A 58 ARG HGx 1.0 1.8 3.8 377 337 A 58 ARG H A 58 ARG HGy 1.0 1.8 3.8 378 338 A 58 ARG H A 59 PHE H 1.0 1.8 3.0 379 339 A 24 LEU HD11 A 59 PHE HD% 1.0 1.8 7.0 380 340 A 26 TYR HBx A 59 PHE HE% 1.0 1.8 4.5 381 341 A 28 VAL HG11 A 59 PHE HD% 1.0 1.8 5.5 382 342 A 28 VAL HG11 A 59 PHE HE% 1.0 1.8 6.0 383 343 A 28 VAL HG21 A 59 PHE HD% 1.0 1.8 6.0 384 344 A 28 VAL HG21 A 59 PHE HE% 1.0 1.8 6.0 385 345 A 58 ARG HA A 59 PHE H 1.0 1.8 3.5 386 346 A 59 PHE H A 58 ARG HBx 1.0 1.8 4.3 387 346 A 58 ARG HBy A 59 PHE H 1.0 1.8 4.3 388 347 A 59 PHE H A 58 ARG HGx 1.0 1.8 4.3 389 347 A 58 ARG HGy A 59 PHE H 1.0 1.8 4.3 390 348 A 59 PHE H A 59 PHE HA 1.0 1.8 3.5 391 349 A 59 PHE HD% A 59 PHE HA 1.0 1.8 4.5 392 350 A 59 PHE HA A 59 PHE HBy 1.0 1.8 6.0 393 351 A 59 PHE H A 59 PHE HBy 1.0 1.8 3.5 394 352 A 59 PHE HD% A 59 PHE HBy 1.0 1.8 4.0 395 353 A 59 PHE HA A 59 PHE HBx 1.0 1.8 3.5 396 354 A 59 PHE H A 59 PHE HBx 1.0 1.8 3.5 397 355 A 59 PHE HD% A 59 PHE HBx 1.0 1.8 4.0 398 356 A 59 PHE HD% A 60 LEU HG 1.0 1.8 5.0 399 357 A 59 PHE H A 60 LEU H 1.0 1.8 3.0 400 358 A 60 LEU HD11 A 59 PHE HD% 1.0 1.8 6.0 401 359 A 60 LEU HD21 A 59 PHE HD% 1.0 1.8 7.0 402 360 A 60 LEU HD21 A 59 PHE HE% 1.0 1.8 6.0 403 361 A 59 PHE HA A 62 LEU HBx 1.0 1.8 5.3 404 361 A 59 PHE HA A 62 LEU HBy 1.0 1.8 5.3 405 362 A 59 PHE HA A 62 LEU HD11 1.0 1.8 5.0 406 363 A 62 LEU HD21 A 59 PHE HA 1.0 1.8 5.0 407 364 A 62 LEU HD21 A 59 PHE HD% 1.0 1.8 7.0 408 365 A 59 PHE HD% A 63 VAL HG21 1.0 1.8 5.5 409 366 A 76 VAL HG11 A 59 PHE HD% 1.0 1.8 5.5 410 367 A 76 VAL HG11 A 59 PHE HE% 1.0 1.8 5.5 411 368 A 76 VAL HG21 A 59 PHE HD% 1.0 1.8 7.0 412 369 A 76 VAL HG21 A 59 PHE HE% 1.0 1.8 6.0 413 370 A 57 MET HA A 60 LEU H 1.0 1.8 4.0 414 371 A 59 PHE HBy A 60 LEU H 1.0 1.8 4.0 415 372 A 59 PHE HD% A 60 LEU H 1.0 1.8 4.5 416 373 A 60 LEU H A 60 LEU HA 1.0 1.8 3.5 417 374 A 60 LEU HG A 60 LEU H 1.0 1.8 3.0 418 375 A 60 LEU HA A 60 LEU HBy 1.0 1.8 6.0 419 376 A 60 LEU HA A 60 LEU HBx 1.0 1.8 4.0 420 377 A 60 LEU HG A 60 LEU HBx 1.0 1.8 3.5 421 378 A 60 LEU H A 60 LEU HBx 1.0 1.8 4.0 422 379 A 60 LEU HD11 A 60 LEU HBx 1.0 1.8 5.5 423 380 A 60 LEU HD11 A 60 LEU HA 1.0 1.8 4.5 424 381 A 60 LEU HD11 A 60 LEU H 1.0 1.8 5.0 425 382 A 60 LEU HD11 A 60 LEU HBy 1.0 1.8 5.5 426 383 A 60 LEU HD21 A 60 LEU HA 1.0 1.8 5.5 427 384 A 60 LEU HD21 A 60 LEU H 1.0 1.8 5.0 428 385 A 60 LEU HA A 63 VAL HB 1.0 1.8 4.0 429 386 A 63 VAL HG21 A 60 LEU HA 1.0 1.8 5.0 430 387 A 58 ARG HA A 61 SER H 1.0 1.8 3.5 431 388 A 60 LEU HA A 61 SER H 1.0 1.8 3.5 432 389 A 60 LEU HBy A 61 SER H 1.0 1.8 3.5 433 390 A 60 LEU HBx A 61 SER H 1.0 1.8 4.0 434 391 A 60 LEU HD11 A 61 SER H 1.0 1.8 5.5 435 392 A 60 LEU HD21 A 61 SER H 1.0 1.8 6.5 436 393 A 61 SER H A 61 SER HA 1.0 1.8 3.0 437 394 A 61 SER H A 61 SER HBx 1.0 1.8 3.3 438 394 A 61 SER H A 61 SER HBy 1.0 1.8 3.3 439 395 A 61 SER H A 62 LEU H 1.0 1.8 3.0 440 396 A 59 PHE HA A 62 LEU H 1.0 1.8 4.0 441 397 A 61 SER HA A 62 LEU H 1.0 1.8 3.5 442 398 A 62 LEU H A 61 SER HBx 1.0 1.8 3.8 443 398 A 61 SER HBy A 62 LEU H 1.0 1.8 3.8 444 399 A 62 LEU H A 62 LEU HA 1.0 1.8 3.5 445 400 A 62 LEU H A 62 LEU HG 1.0 1.8 3.0 446 401 A 62 LEU HA A 62 LEU HBx 1.0 1.8 6.3 447 401 A 62 LEU HBy A 62 LEU HA 1.0 1.8 6.3 448 402 A 62 LEU H A 62 LEU HBx 1.0 1.8 4.3 449 402 A 62 LEU HBy A 62 LEU H 1.0 1.8 4.3 450 403 A 62 LEU HD11 A 62 LEU HBx 1.0 1.8 5.8 451 403 A 62 LEU HBy A 62 LEU HD11 1.0 1.8 5.8 452 404 A 62 LEU HD21 A 62 LEU HBx 1.0 1.8 5.8 453 404 A 62 LEU HD21 A 62 LEU HBy 1.0 1.8 5.8 454 405 A 62 LEU HD11 A 62 LEU H 1.0 1.8 4.5 455 406 A 62 LEU HD21 A 62 LEU H 1.0 1.8 4.5 456 407 A 62 LEU H A 63 VAL H 1.0 1.8 3.0 457 408 A 62 LEU HA A 65 LYS HBy 1.0 1.8 3.0 458 409 A 60 LEU HA A 63 VAL H 1.0 1.8 3.5 459 410 A 62 LEU HA A 63 VAL H 1.0 1.8 3.5 460 411 A 62 LEU HG A 63 VAL H 1.0 1.8 3.5 461 412 A 63 VAL H A 62 LEU HBx 1.0 1.8 4.3 462 412 A 62 LEU HBy A 63 VAL H 1.0 1.8 4.3 463 413 A 62 LEU HD11 A 63 VAL H 1.0 1.8 4.5 464 414 A 63 VAL H A 63 VAL HA 1.0 1.8 3.5 465 415 A 63 VAL HB A 63 VAL H 1.0 1.8 3.0 466 416 A 63 VAL HA A 63 VAL HG11 1.0 1.8 6.5 467 417 A 63 VAL HG21 A 63 VAL HA 1.0 1.8 4.5 468 418 A 63 VAL HG21 A 63 VAL H 1.0 1.8 4.0 469 419 A 63 VAL H A 64 SER H 1.0 1.8 2.5 470 420 A 61 SER HA A 64 SER H 1.0 1.8 3.0 471 421 A 63 VAL HA A 64 SER H 1.0 1.8 4.0 472 422 A 63 VAL HB A 64 SER H 1.0 1.8 3.5 473 423 A 63 VAL HG11 A 64 SER H 1.0 1.8 5.0 474 424 A 63 VAL HG21 A 64 SER H 1.0 1.8 4.5 475 425 A 64 SER H A 64 SER HBx 1.0 1.8 3.3 476 425 A 64 SER H A 64 SER HBy 1.0 1.8 3.3 477 426 A 62 LEU HA A 65 LYS H 1.0 1.8 4.0 478 427 A 65 LYS H A 64 SER HBx 1.0 1.8 3.8 479 427 A 64 SER HBy A 65 LYS H 1.0 1.8 3.8 480 428 A 65 LYS H A 65 LYS HA 1.0 1.8 3.0 481 429 A 65 LYS HBy A 65 LYS H 1.0 1.8 3.0 482 430 A 65 LYS H A 65 LYS HGy 1.0 1.8 3.5 483 431 A 65 LYS H A 65 LYS HGx 1.0 1.8 3.5 484 432 A 65 LYS H A 66 TRP H 1.0 1.8 3.0 485 433 A 28 VAL HG21 A 66 TRP HH2 1.0 1.8 5.0 486 434 A 28 VAL HG21 A 66 TRP HZ3 1.0 1.8 6.5 487 435 A 62 LEU HD21 A 66 TRP HE1 1.0 1.8 4.0 488 436 A 62 LEU HD21 A 66 TRP HH2 1.0 1.8 5.0 489 437 A 62 LEU HD21 A 66 TRP HZ2 1.0 1.8 5.0 490 438 A 62 LEU HD21 A 66 TRP HZ3 1.0 1.8 6.5 491 439 A 63 VAL HA A 66 TRP H 1.0 1.8 4.0 492 440 A 63 VAL HA A 66 TRP HE3 1.0 1.8 4.0 493 441 A 63 VAL HG11 A 66 TRP HE3 1.0 1.8 6.5 494 442 A 63 VAL HG21 A 66 TRP HE3 1.0 1.8 5.5 495 443 A 63 VAL HG21 A 66 TRP HZ3 1.0 1.8 6.5 496 444 A 65 LYS HA A 66 TRP H 1.0 1.8 4.0 497 445 A 66 TRP HA A 66 TRP HD1 1.0 1.8 3.0 498 446 A 66 TRP HA A 66 TRP HBy 1.0 1.8 4.0 499 447 A 66 TRP HD1 A 66 TRP HBy 1.0 1.8 4.0 500 448 A 66 TRP HE3 A 66 TRP HBy 1.0 1.8 3.5 501 449 A 66 TRP HA A 66 TRP HBx 1.0 1.8 4.0 502 450 A 66 TRP H A 66 TRP HBx 1.0 1.8 3.0 503 451 A 66 TRP HD1 A 66 TRP HBx 1.0 1.8 4.0 504 452 A 66 TRP HE3 A 66 TRP HBx 1.0 1.8 3.5 505 453 A 66 TRP HH2 A 66 TRP HZ2 1.0 1.8 3.0 506 454 A 66 TRP HZ3 A 66 TRP HE3 1.0 1.8 3.0 507 455 A 66 TRP HH2 A 66 TRP HZ3 1.0 1.8 3.0 508 456 A 70 ARG HA A 71 ASP H 1.0 1.8 4.0 509 457 A 71 ASP H A 71 ASP HBy 1.0 1.8 3.5 510 458 A 71 ASP H A 71 ASP HBx 1.0 1.8 3.5 511 459 A 71 ASP H A 72 GLN H 1.0 1.8 3.0 512 460 A 71 ASP HBy A 72 GLN H 1.0 1.8 4.0 513 461 A 71 ASP HBx A 72 GLN H 1.0 1.8 4.0 514 462 A 72 GLN H A 72 GLN HA 1.0 1.8 3.5 515 463 A 28 VAL HG11 A 74 TYR HD% 1.0 1.8 5.5 516 464 A 28 VAL HG11 A 74 TYR HE% 1.0 1.8 7.0 517 465 A 28 VAL HG21 A 74 TYR HD% 1.0 1.8 7.0 518 466 A 30 THR HA A 74 TYR HA 1.0 1.8 3.5 519 467 A 30 THR HA A 74 TYR HD% 1.0 1.8 4.5 520 468 A 30 THR HB A 74 TYR HA 1.0 1.8 5.0 521 469 A 30 THR HB A 74 TYR HD% 1.0 1.8 5.0 522 470 A 30 THR HG21 A 74 TYR HD% 1.0 1.8 7.0 523 471 A 30 THR HG21 A 74 TYR HE% 1.0 1.8 6.0 524 472 A 63 VAL HG21 A 74 TYR HE% 1.0 1.8 7.0 525 473 A 74 TYR HA A 74 TYR H 1.0 1.8 4.0 526 474 A 74 TYR HA A 74 TYR HD% 1.0 1.8 4.5 527 475 A 74 TYR HA A 74 TYR HBx 1.0 1.8 4.3 528 475 A 74 TYR HA A 74 TYR HBy 1.0 1.8 4.3 529 476 A 74 TYR H A 74 TYR HBx 1.0 1.8 4.3 530 476 A 74 TYR H A 74 TYR HBy 1.0 1.8 4.3 531 477 A 74 TYR HD% A 74 TYR HBx 1.0 1.8 4.8 532 477 A 74 TYR HD% A 74 TYR HBy 1.0 1.8 4.8 533 478 A 74 TYR HD% A 74 TYR H 1.0 1.8 4.5 534 479 A 76 VAL HG21 A 74 TYR HBx 1.0 1.8 6.8 535 479 A 76 VAL HG21 A 74 TYR HBy 1.0 1.8 6.8 536 480 A 74 TYR H A 102 VAL HA 1.0 1.8 6.0 537 481 A 29 LYS H A 75 GLU H 1.0 1.8 3.5 538 482 A 30 THR HA A 75 GLU H 1.0 1.8 3.5 539 483 A 31 LYS H A 75 GLU H 1.0 1.8 3.5 540 484 A 74 TYR HA A 75 GLU H 1.0 1.8 3.0 541 485 A 75 GLU H A 74 TYR HBx 1.0 1.8 3.8 542 485 A 75 GLU H A 74 TYR HBy 1.0 1.8 3.8 543 486 A 74 TYR HD% A 75 GLU H 1.0 1.8 4.5 544 487 A 75 GLU H A 75 GLU HA 1.0 1.8 3.5 545 488 A 75 GLU HA A 75 GLU HBx 1.0 1.8 4.3 546 488 A 75 GLU HA A 75 GLU HBy 1.0 1.8 4.3 547 489 A 75 GLU H A 75 GLU HBx 1.0 1.8 3.8 548 489 A 75 GLU H A 75 GLU HBy 1.0 1.8 3.8 549 490 A 75 GLU HA A 75 GLU HGy 1.0 1.8 4.0 550 491 A 75 GLU HA A 75 GLU HGx 1.0 1.8 4.0 551 492 A 75 GLU HA A 103 THR HB 1.0 1.8 4.5 552 493 A 75 GLU HA A 103 THR HG21 1.0 1.8 6.5 553 494 A 76 VAL HG21 A 63 VAL HG21 1.0 1.8 7.0 554 495 A 75 GLU HA A 76 VAL H 1.0 1.8 3.0 555 496 A 76 VAL HA A 76 VAL HB 1.0 1.8 6.0 556 497 A 76 VAL H A 76 VAL HB 1.0 1.8 3.0 557 498 A 76 VAL HG11 A 76 VAL HA 1.0 1.8 5.0 558 499 A 76 VAL HG11 A 76 VAL H 1.0 1.8 5.0 559 500 A 76 VAL HA A 76 VAL HG21 1.0 1.8 5.0 560 501 A 76 VAL HG21 A 76 VAL H 1.0 1.8 4.5 561 502 A 76 VAL H A 102 VAL HG21 1.0 1.8 5.5 562 503 A 76 VAL HG21 A 102 VAL HG21 1.0 1.8 7.0 563 504 A 76 VAL H A 104 LEU HA 1.0 1.8 3.5 564 505 A 76 VAL H A 104 LEU HD21 1.0 1.8 5.5 565 506 A 76 VAL HG11 A 104 LEU HD21 1.0 1.8 5.5 566 507 A 76 VAL HG21 A 104 LEU HD21 1.0 1.8 7.0 567 508 A 26 TYR HBx A 77 THR H 1.0 1.8 4.5 568 509 A 27 GLU H A 77 THR H 1.0 1.8 3.5 569 510 A 77 THR H A 28 VAL HA 1.0 1.8 4.0 570 511 A 77 THR H A 76 VAL HA 1.0 1.8 3.0 571 512 A 76 VAL HG11 A 77 THR H 1.0 1.8 4.5 572 513 A 77 THR HB A 77 THR HA 1.0 1.8 4.0 573 514 A 77 THR HB A 77 THR H 1.0 1.8 3.5 574 515 A 77 THR HA A 77 THR HG21 1.0 1.8 4.5 575 516 A 77 THR H A 77 THR HG21 1.0 1.8 5.0 576 517 A 77 THR H A 78 TRP HD1 1.0 1.8 4.0 577 518 A 104 LEU HD21 A 77 THR HA 1.0 1.8 5.5 578 519 A 77 THR HA A 105 THR HG21 1.0 1.8 5.5 579 520 A 77 THR HG21 A 105 THR HG21 1.0 1.8 7.0 580 521 A 24 LEU HBx A 78 TRP HA 1.0 1.8 4.5 581 522 A 24 LEU HD11 A 78 TRP HA 1.0 1.8 6.5 582 523 A 24 LEU HD11 A 78 TRP HBy 1.0 1.8 5.5 583 524 A 24 LEU HD11 A 78 TRP HBx 1.0 1.8 6.5 584 525 A 24 LEU HD11 A 78 TRP HD1 1.0 1.8 4.5 585 526 A 24 LEU HD11 A 78 TRP HE3 1.0 1.8 5.0 586 527 A 24 LEU HD11 A 78 TRP HZ2 1.0 1.8 5.5 587 528 A 24 LEU HD11 A 78 TRP HZ3 1.0 1.8 6.5 588 529 A 26 TYR HBy A 78 TRP HD1 1.0 1.8 3.5 589 530 A 26 TYR HBx A 78 TRP HD1 1.0 1.8 3.5 590 531 A 59 PHE HBy A 78 TRP HZ2 1.0 1.8 3.5 591 532 A 59 PHE HBx A 78 TRP HZ2 1.0 1.8 3.5 592 533 A 60 LEU HD11 A 78 TRP HZ2 1.0 1.8 6.5 593 534 A 76 VAL HG11 A 78 TRP HD1 1.0 1.8 4.0 594 535 A 78 TRP HD1 A 76 VAL HG21 1.0 1.8 6.5 595 536 A 77 THR HA A 78 TRP H 1.0 1.8 4.0 596 537 A 77 THR HG21 A 78 TRP H 1.0 1.8 4.5 597 538 A 78 TRP HA A 78 TRP HD1 1.0 1.8 3.0 598 539 A 78 TRP HA A 78 TRP HBy 1.0 1.8 4.0 599 540 A 78 TRP HD1 A 78 TRP HBy 1.0 1.8 4.0 600 541 A 78 TRP HBy A 78 TRP HE3 1.0 1.8 3.5 601 542 A 78 TRP HA A 78 TRP HBx 1.0 1.8 4.0 602 543 A 78 TRP HD1 A 78 TRP HBx 1.0 1.8 4.0 603 544 A 78 TRP HBx A 78 TRP HE3 1.0 1.8 3.5 604 545 A 78 TRP HZ2 A 78 TRP HH2 1.0 1.8 3.0 605 546 A 78 TRP HE3 A 78 TRP HZ3 1.0 1.8 2.5 606 547 A 78 TRP HE3 A 80 ILE HD11 1.0 1.8 4.0 607 548 A 78 TRP HZ3 A 80 ILE HD11 1.0 1.8 5.0 608 549 A 78 TRP HE3 A 92 MET HGy 1.0 1.8 3.5 609 550 A 78 TRP HE3 A 92 MET HGx 1.0 1.8 3.5 610 551 A 78 TRP HH2 A 104 LEU HD11 1.0 1.8 6.5 611 552 A 78 TRP HD1 A 104 LEU HD21 1.0 1.8 5.0 612 553 A 104 LEU HD21 A 78 TRP HE3 1.0 1.8 5.5 613 554 A 104 LEU HD21 A 78 TRP HZ2 1.0 1.8 6.5 614 555 A 78 TRP H A 105 THR H 1.0 1.8 3.5 615 556 A 78 TRP H A 106 ILE HA 1.0 1.8 3.5 616 557 A 78 TRP HE3 A 106 ILE HD11 1.0 1.8 4.5 617 558 A 78 TRP HZ3 A 106 ILE HD11 1.0 1.8 5.0 618 559 A 78 TRP HBy A 106 ILE HG1y 1.0 1.8 4.5 619 560 A 78 TRP HBx A 106 ILE HG1y 1.0 1.8 4.5 620 561 A 78 TRP HE3 A 106 ILE HG1x 1.0 1.8 3.5 621 562 A 78 TRP HBy A 106 ILE HG21 1.0 1.8 6.5 622 563 A 78 TRP HBx A 106 ILE HG21 1.0 1.8 5.5 623 564 A 78 TRP H A 107 PHE HD% 1.0 1.8 5.5 624 565 A 24 LEU HD11 A 79 TYR H 1.0 1.8 5.0 625 566 A 79 TYR HD% A 25 CYS HBx 1.0 1.8 4.8 626 566 A 25 CYS HBy A 79 TYR HD% 1.0 1.8 4.8 627 567 A 26 TYR HA A 79 TYR H 1.0 1.8 4.5 628 568 A 26 TYR HBy A 79 TYR H 1.0 1.8 4.0 629 569 A 77 THR HG21 A 79 TYR H 1.0 1.8 5.5 630 570 A 78 TRP HA A 79 TYR H 1.0 1.8 4.0 631 571 A 79 TYR H A 79 TYR HA 1.0 1.8 4.5 632 572 A 79 TYR HD% A 79 TYR HA 1.0 1.8 4.5 633 573 A 79 TYR HBy A 79 TYR HA 1.0 1.8 4.0 634 574 A 79 TYR HBy A 79 TYR H 1.0 1.8 3.5 635 575 A 79 TYR HBy A 79 TYR HD% 1.0 1.8 4.5 636 576 A 79 TYR HBx A 79 TYR HA 1.0 1.8 4.5 637 577 A 79 TYR HBx A 79 TYR H 1.0 1.8 3.5 638 578 A 79 TYR HBx A 79 TYR HD% 1.0 1.8 4.0 639 579 A 79 TYR H A 79 TYR HD% 1.0 1.8 4.5 640 580 A 79 TYR HD% A 107 PHE HBy 1.0 1.8 4.5 641 581 A 79 TYR HA A 107 PHE HBx 1.0 1.8 4.5 642 582 A 79 TYR HD% A 107 PHE HBx 1.0 1.8 4.5 643 583 A 79 TYR HD% A 140 GLU HBx 1.0 1.8 4.5 644 584 A 140 GLU HBx A 79 TYR HE% 1.0 1.8 4.5 645 585 A 79 TYR HE% A 140 GLU HGy 1.0 1.8 5.0 646 586 A 79 TYR HD% A 140 GLU HGx 1.0 1.8 4.5 647 587 A 79 TYR HE% A 140 GLU HGx 1.0 1.8 4.5 648 588 A 144 CYS HBx A 79 TYR HE% 1.0 1.8 5.5 649 589 A 24 LEU HA A 80 ILE HA 1.0 1.8 4.5 650 590 A 24 LEU HD11 A 80 ILE HA 1.0 1.8 6.5 651 591 A 24 LEU HD11 A 80 ILE HG21 1.0 1.8 7.0 652 592 A 79 TYR HA A 80 ILE H 1.0 1.8 4.0 653 593 A 79 TYR HBy A 80 ILE H 1.0 1.8 4.0 654 594 A 80 ILE HA A 80 ILE HB 1.0 1.8 4.0 655 595 A 80 ILE HA A 80 ILE HD11 1.0 1.8 6.5 656 596 A 80 ILE HD11 A 80 ILE H 1.0 1.8 5.5 657 597 A 80 ILE HA A 80 ILE HG1y 1.0 1.8 5.0 658 598 A 80 ILE HG21 A 80 ILE HG1y 1.0 1.8 5.5 659 599 A 80 ILE HA A 80 ILE HG21 1.0 1.8 6.5 660 600 A 80 ILE HG21 A 80 ILE H 1.0 1.8 5.0 661 601 A 80 ILE H A 108 VAL HA 1.0 1.8 4.5 662 602 A 86 THR HA A 86 THR HB 1.0 1.8 3.5 663 603 A 86 THR HA A 86 THR HG21 1.0 1.8 5.5 664 604 A 86 THR HA A 87 LYS H 1.0 1.8 3.5 665 605 A 86 THR HB A 87 LYS H 1.0 1.8 3.0 666 606 A 86 THR HG21 A 87 LYS H 1.0 1.8 4.5 667 607 A 87 LYS H A 87 LYS HA 1.0 1.8 3.0 668 608 A 87 LYS H A 87 LYS HBx 1.0 1.8 3.3 669 608 A 87 LYS H A 87 LYS HBy 1.0 1.8 3.3 670 609 A 87 LYS H A 87 LYS HEx 1.0 1.8 4.3 671 609 A 87 LYS H A 87 LYS HEy 1.0 1.8 4.3 672 610 A 87 LYS H A 87 LYS HGx 1.0 1.8 3.8 673 610 A 87 LYS H A 87 LYS HGy 1.0 1.8 3.8 674 611 A 87 LYS H A 88 CYS H 1.0 1.8 2.5 675 612 A 87 LYS HA A 90 ARG HBx 1.0 1.8 4.3 676 612 A 87 LYS HA A 90 ARG HBy 1.0 1.8 4.3 677 613 A 88 CYS H A 87 LYS HBx 1.0 1.8 3.8 678 613 A 87 LYS HBy A 88 CYS H 1.0 1.8 3.8 679 614 A 88 CYS H A 88 CYS HA 1.0 1.8 3.5 680 615 A 88 CYS HA A 88 CYS HBy 1.0 1.8 3.5 681 616 A 88 CYS H A 88 CYS HBy 1.0 1.8 3.0 682 617 A 88 CYS HA A 88 CYS HBx 1.0 1.8 3.5 683 618 A 88 CYS H A 88 CYS HBx 1.0 1.8 3.0 684 619 A 88 CYS H A 89 ALA H 1.0 1.8 3.0 685 620 A 88 CYS HA A 91 ASP HBy 1.0 1.8 3.5 686 621 A 88 CYS HA A 91 ASP HBx 1.0 1.8 4.5 687 622 A 86 THR HA A 89 ALA H 1.0 1.8 4.0 688 623 A 86 THR HA A 89 ALA HB1 1.0 1.8 6.5 689 624 A 88 CYS HBy A 89 ALA H 1.0 1.8 3.5 690 625 A 88 CYS HBx A 89 ALA H 1.0 1.8 3.5 691 626 A 89 ALA H A 89 ALA HA 1.0 1.8 3.5 692 627 A 89 ALA H A 89 ALA HB1 1.0 1.8 4.0 693 628 A 89 ALA HB1 A 122 ALA HB1 1.0 1.8 7.0 694 629 A 89 ALA HB1 A 123 LEU HD11 1.0 1.8 7.0 695 630 A 89 ALA HA A 123 LEU HD21 1.0 1.8 4.5 696 631 A 86 THR HG21 A 90 ARG HDx 1.0 1.8 6.8 697 631 A 86 THR HG21 A 90 ARG HDy 1.0 1.8 6.8 698 632 A 87 LYS HA A 90 ARG H 1.0 1.8 3.0 699 633 A 89 ALA H A 90 ARG H 1.0 1.8 3.0 700 634 A 89 ALA HB1 A 90 ARG H 1.0 1.8 4.0 701 635 A 90 ARG H A 90 ARG HA 1.0 1.8 3.0 702 636 A 90 ARG HA A 90 ARG HBx 1.0 1.8 4.3 703 636 A 90 ARG HBy A 90 ARG HA 1.0 1.8 4.3 704 637 A 90 ARG H A 90 ARG HBx 1.0 1.8 3.8 705 637 A 90 ARG HBy A 90 ARG H 1.0 1.8 3.8 706 638 A 90 ARG H A 90 ARG HGy 1.0 1.8 2.5 707 639 A 90 ARG HA A 90 ARG HGx 1.0 1.8 3.0 708 640 A 90 ARG H A 90 ARG HGx 1.0 1.8 3.0 709 641 A 90 ARG H A 91 ASP H 1.0 1.8 2.5 710 642 A 90 ARG HA A 93 ALA HB1 1.0 1.8 4.0 711 643 A 90 ARG HA A 91 ASP H 1.0 1.8 3.5 712 644 A 91 ASP H A 90 ARG HBx 1.0 1.8 4.3 713 644 A 90 ARG HBy A 91 ASP H 1.0 1.8 4.3 714 645 A 90 ARG HGy A 91 ASP H 1.0 1.8 3.5 715 646 A 91 ASP H A 91 ASP HA 1.0 1.8 3.5 716 647 A 91 ASP HBy A 91 ASP HA 1.0 1.8 3.5 717 648 A 91 ASP HBy A 91 ASP H 1.0 1.8 3.0 718 649 A 91 ASP HBx A 91 ASP HA 1.0 1.8 3.5 719 650 A 91 ASP HBx A 91 ASP H 1.0 1.8 3.5 720 651 A 89 ALA HA A 92 MET H 1.0 1.8 3.5 721 652 A 91 ASP H A 92 MET H 1.0 1.8 3.0 722 653 A 91 ASP HBy A 92 MET H 1.0 1.8 3.5 723 654 A 92 MET H A 92 MET HA 1.0 1.8 3.5 724 655 A 92 MET H A 92 MET HBy 1.0 1.8 4.0 725 656 A 92 MET H A 92 MET HBx 1.0 1.8 4.5 726 657 A 92 MET HGy A 92 MET H 1.0 1.8 3.5 727 658 A 90 ARG HA A 93 ALA H 1.0 1.8 3.5 728 659 A 92 MET H A 93 ALA H 1.0 1.8 3.0 729 660 A 92 MET HBy A 93 ALA H 1.0 1.8 2.5 730 661 A 93 ALA H A 93 ALA HA 1.0 1.8 3.0 731 662 A 93 ALA HB1 A 93 ALA H 1.0 1.8 4.0 732 663 A 93 ALA H A 94 THR H 1.0 1.8 3.0 733 664 A 93 ALA HA A 96 LEU HBy 1.0 1.8 3.5 734 665 A 93 ALA HA A 96 LEU HBx 1.0 1.8 3.0 735 666 A 93 ALA HA A 129 ALA HB1 1.0 1.8 5.5 736 667 A 93 ALA HB1 A 129 ALA HB1 1.0 1.8 7.0 737 668 A 91 ASP HA A 94 THR H 1.0 1.8 3.5 738 669 A 93 ALA HB1 A 94 THR H 1.0 1.8 3.5 739 670 A 94 THR HA A 94 THR HB 1.0 1.8 3.5 740 671 A 94 THR H A 94 THR HA 1.0 1.8 3.0 741 672 A 94 THR H A 94 THR HB 1.0 1.8 3.0 742 673 A 94 THR HA A 94 THR HG21 1.0 1.8 4.0 743 674 A 94 THR H A 94 THR HG21 1.0 1.8 4.0 744 675 A 94 THR HA A 97 GLN HBx 1.0 1.8 3.8 745 675 A 94 THR HA A 97 GLN HBy 1.0 1.8 3.8 746 676 A 94 THR HA A 97 GLN HGx 1.0 1.8 4.3 747 676 A 94 THR HA A 97 GLN HGy 1.0 1.8 4.3 748 677 A 57 MET HA A 95 PHE HD% 1.0 1.8 4.5 749 678 A 60 LEU HG A 95 PHE HD% 1.0 1.8 5.0 750 679 A 60 LEU HG A 95 PHE HE% 1.0 1.8 6.5 751 680 A 60 LEU HD11 A 95 PHE HA 1.0 1.8 6.5 752 681 A 60 LEU HD11 A 95 PHE HBy 1.0 1.8 6.5 753 682 A 60 LEU HD11 A 95 PHE HBx 1.0 1.8 5.5 754 683 A 60 LEU HD11 A 95 PHE HD% 1.0 1.8 6.0 755 684 A 60 LEU HD11 A 95 PHE HE% 1.0 1.8 7.0 756 685 A 60 LEU HD21 A 95 PHE HBy 1.0 1.8 6.5 757 686 A 60 LEU HD21 A 95 PHE HBx 1.0 1.8 6.5 758 687 A 60 LEU HD21 A 95 PHE HD% 1.0 1.8 5.0 759 688 A 63 VAL HG11 A 95 PHE HZ 1.0 1.8 5.0 760 689 A 63 VAL HG11 A 95 PHE HE% 1.0 1.8 6.0 761 690 A 63 VAL HG21 A 95 PHE HZ 1.0 1.8 4.5 762 691 A 63 VAL HG21 A 95 PHE HE% 1.0 1.8 5.5 763 692 A 76 VAL HG21 A 95 PHE HZ 1.0 1.8 5.5 764 693 A 92 MET HA A 95 PHE H 1.0 1.8 3.0 765 694 A 94 THR HG21 A 95 PHE H 1.0 1.8 4.5 766 695 A 95 PHE HA A 95 PHE H 1.0 1.8 3.0 767 696 A 95 PHE HD% A 95 PHE HA 1.0 1.8 4.0 768 697 A 95 PHE HBy A 95 PHE H 1.0 1.8 3.5 769 698 A 95 PHE HD% A 95 PHE HBy 1.0 1.8 4.0 770 699 A 95 PHE HBx A 95 PHE H 1.0 1.8 3.0 771 700 A 95 PHE HBx A 95 PHE HD% 1.0 1.8 3.5 772 701 A 95 PHE HE% A 96 LEU HA 1.0 1.8 4.5 773 702 A 95 PHE HD% A 96 LEU HG 1.0 1.8 4.5 774 703 A 95 PHE HE% A 96 LEU HG 1.0 1.8 5.0 775 704 A 95 PHE H A 96 LEU H 1.0 1.8 3.5 776 705 A 95 PHE HA A 98 GLU HBx 1.0 1.8 4.3 777 705 A 95 PHE HA A 98 GLU HBy 1.0 1.8 4.3 778 706 A 95 PHE HZ A 102 VAL HB 1.0 1.8 4.0 779 707 A 95 PHE HE% A 102 VAL HB 1.0 1.8 5.0 780 708 A 95 PHE HZ A 102 VAL HG11 1.0 1.8 4.5 781 709 A 95 PHE HD% A 102 VAL HG11 1.0 1.8 6.0 782 710 A 95 PHE HE% A 102 VAL HG11 1.0 1.8 5.5 783 711 A 102 VAL HG21 A 95 PHE HZ 1.0 1.8 4.5 784 712 A 102 VAL HG21 A 95 PHE HD% 1.0 1.8 6.0 785 713 A 102 VAL HG21 A 95 PHE HE% 1.0 1.8 5.5 786 714 A 104 LEU HD11 A 95 PHE HD% 1.0 1.8 7.0 787 715 A 93 ALA HA A 96 LEU H 1.0 1.8 4.0 788 716 A 95 PHE HA A 96 LEU H 1.0 1.8 4.0 789 717 A 95 PHE HBy A 96 LEU H 1.0 1.8 4.0 790 718 A 95 PHE HBx A 96 LEU H 1.0 1.8 4.0 791 719 A 95 PHE HD% A 96 LEU H 1.0 1.8 4.5 792 720 A 96 LEU HA A 96 LEU HG 1.0 1.8 5.0 793 721 A 96 LEU HBy A 96 LEU HA 1.0 1.8 5.0 794 722 A 96 LEU HBy A 96 LEU H 1.0 1.8 3.5 795 723 A 96 LEU HBy A 96 LEU HD21 1.0 1.8 5.5 796 724 A 96 LEU HBx A 96 LEU HA 1.0 1.8 5.0 797 725 A 104 LEU HD11 A 96 LEU HBx 1.0 1.8 4.5 798 726 A 104 LEU HD11 A 96 LEU HD11 1.0 1.8 5.5 799 727 A 104 LEU HD11 A 96 LEU HD21 1.0 1.8 5.5 800 728 A 104 LEU HD21 A 96 LEU HBx 1.0 1.8 5.0 801 729 A 104 LEU HD21 A 96 LEU HD11 1.0 1.8 7.0 802 730 A 94 THR HA A 97 GLN H 1.0 1.8 3.5 803 731 A 96 LEU H A 97 GLN H 1.0 1.8 3.0 804 732 A 96 LEU HBy A 97 GLN H 1.0 1.8 3.0 805 733 A 96 LEU HD21 A 97 GLN H 1.0 1.8 4.5 806 734 A 97 GLN H A 97 GLN HA 1.0 1.8 3.0 807 735 A 97 GLN H A 97 GLN HBx 1.0 1.8 3.3 808 735 A 97 GLN HBy A 97 GLN H 1.0 1.8 3.3 809 736 A 97 GLN HA A 97 GLN HGx 1.0 1.8 4.3 810 736 A 97 GLN HGy A 97 GLN HA 1.0 1.8 4.3 811 737 A 97 GLN H A 97 GLN HGx 1.0 1.8 3.8 812 737 A 97 GLN HGy A 97 GLN H 1.0 1.8 3.8 813 738 A 97 GLN H A 98 GLU H 1.0 1.8 2.5 814 739 A 95 PHE HA A 98 GLU H 1.0 1.8 3.5 815 740 A 98 GLU H A 98 GLU HA 1.0 1.8 3.5 816 741 A 98 GLU HA A 98 GLU HBx 1.0 1.8 4.3 817 741 A 98 GLU HBy A 98 GLU HA 1.0 1.8 4.3 818 742 A 98 GLU H A 98 GLU HBx 1.0 1.8 3.3 819 742 A 98 GLU HBy A 98 GLU H 1.0 1.8 3.3 820 743 A 98 GLU H A 98 GLU HGy 1.0 1.8 3.0 821 744 A 98 GLU H A 98 GLU HGx 1.0 1.8 3.0 822 745 A 96 LEU HA A 99 ASN H 1.0 1.8 3.5 823 746 A 98 GLU HGy A 99 ASN H 1.0 1.8 3.5 824 747 A 98 GLU HGx A 99 ASN H 1.0 1.8 3.5 825 748 A 99 ASN H A 99 ASN HA 1.0 1.8 3.5 826 749 A 99 ASN HA A 99 ASN HBy 1.0 1.8 4.0 827 750 A 99 ASN H A 99 ASN HBy 1.0 1.8 3.0 828 751 A 99 ASN HA A 99 ASN HBx 1.0 1.8 3.5 829 752 A 99 ASN H A 99 ASN HBx 1.0 1.8 2.5 830 753 A 99 ASN H A 100 THR H 1.0 1.8 2.5 831 754 A 99 ASN HBy A 100 THR H 1.0 1.8 3.5 832 755 A 99 ASN HBx A 100 THR H 1.0 1.8 3.5 833 756 A 100 THR HA A 100 THR HB 1.0 1.8 3.5 834 757 A 100 THR H A 100 THR HA 1.0 1.8 2.5 835 758 A 100 THR HA A 100 THR HG21 1.0 1.8 4.0 836 759 A 100 THR H A 100 THR HG21 1.0 1.8 3.5 837 760 A 102 VAL HA A 74 TYR HBx 1.0 1.8 6.3 838 760 A 74 TYR HBy A 102 VAL HA 1.0 1.8 6.3 839 761 A 102 VAL HG11 A 74 TYR HBx 1.0 1.8 6.8 840 761 A 74 TYR HBy A 102 VAL HG11 1.0 1.8 6.8 841 762 A 102 VAL HG21 A 74 TYR HBx 1.0 1.8 6.8 842 762 A 74 TYR HBy A 102 VAL HG21 1.0 1.8 6.8 843 763 A 76 VAL HG21 A 102 VAL HG11 1.0 1.8 7.0 844 764 A 96 LEU HD21 A 102 VAL H 1.0 1.8 4.5 845 765 A 100 THR HA A 102 VAL H 1.0 1.8 3.5 846 766 A 102 VAL HA A 102 VAL HB 1.0 1.8 6.0 847 767 A 102 VAL HB A 102 VAL H 1.0 1.8 3.0 848 768 A 102 VAL HB A 102 VAL HG11 1.0 1.8 6.5 849 769 A 102 VAL HA A 102 VAL HG11 1.0 1.8 6.5 850 770 A 102 VAL HG11 A 102 VAL H 1.0 1.8 4.0 851 771 A 102 VAL HA A 102 VAL HG21 1.0 1.8 6.5 852 772 A 74 TYR H A 103 THR H 1.0 1.8 4.0 853 773 A 103 THR H A 74 TYR HBx 1.0 1.8 5.3 854 773 A 74 TYR HBy A 103 THR H 1.0 1.8 5.3 855 774 A 75 GLU HA A 103 THR H 1.0 1.8 3.5 856 775 A 103 THR H A 75 GLU HBx 1.0 1.8 4.8 857 775 A 75 GLU HBy A 103 THR H 1.0 1.8 4.8 858 776 A 75 GLU HGy A 103 THR HB 1.0 1.8 3.5 859 777 A 76 VAL H A 103 THR H 1.0 1.8 3.5 860 778 A 102 VAL HA A 103 THR H 1.0 1.8 3.0 861 779 A 102 VAL HG11 A 103 THR H 1.0 1.8 5.0 862 780 A 102 VAL HG21 A 103 THR H 1.0 1.8 4.5 863 781 A 103 THR HG21 A 103 THR HA 1.0 1.8 6.5 864 782 A 103 THR HB A 103 THR H 1.0 1.8 3.5 865 783 A 103 THR HG21 A 103 THR H 1.0 1.8 4.5 866 784 A 76 VAL HB A 104 LEU HA 1.0 1.8 4.0 867 785 A 76 VAL HB A 104 LEU HD21 1.0 1.8 5.0 868 786 A 76 VAL HG11 A 104 LEU HA 1.0 1.8 6.5 869 787 A 76 VAL HG21 A 104 LEU HA 1.0 1.8 6.5 870 788 A 76 VAL HG21 A 104 LEU HD11 1.0 1.8 7.0 871 789 A 104 LEU HD11 A 96 LEU HBy 1.0 1.8 6.5 872 790 A 104 LEU HD21 A 96 LEU HD21 1.0 1.8 7.0 873 791 A 103 THR HA A 104 LEU H 1.0 1.8 3.0 874 792 A 103 THR HB A 104 LEU H 1.0 1.8 3.0 875 793 A 103 THR HG21 A 104 LEU H 1.0 1.8 4.0 876 794 A 104 LEU HA A 104 LEU H 1.0 1.8 3.5 877 795 A 104 LEU HA A 104 LEU HG 1.0 1.8 4.0 878 796 A 104 LEU HA A 104 LEU HBy 1.0 1.8 5.0 879 797 A 104 LEU H A 104 LEU HBy 1.0 1.8 3.0 880 798 A 104 LEU HA A 104 LEU HBx 1.0 1.8 4.0 881 799 A 104 LEU H A 104 LEU HBx 1.0 1.8 3.0 882 800 A 104 LEU HA A 104 LEU HD11 1.0 1.8 5.5 883 801 A 104 LEU HD11 A 104 LEU H 1.0 1.8 5.0 884 802 A 104 LEU HD11 A 104 LEU HBy 1.0 1.8 4.5 885 803 A 104 LEU HA A 104 LEU HD21 1.0 1.8 4.5 886 804 A 104 LEU HD21 A 104 LEU H 1.0 1.8 5.0 887 805 A 104 LEU HD21 A 104 LEU HBy 1.0 1.8 5.0 888 806 A 104 LEU HD11 A 106 ILE HD11 1.0 1.8 7.0 889 807 A 104 LEU HD21 A 131 ALA HB1 1.0 1.8 7.0 890 808 A 76 VAL H A 105 THR H 1.0 1.8 4.0 891 809 A 77 THR HA A 105 THR HB 1.0 1.8 3.5 892 810 A 77 THR HA A 105 THR H 1.0 1.8 3.5 893 811 A 77 THR HG21 A 105 THR HB 1.0 1.8 5.5 894 812 A 77 THR HG21 A 105 THR H 1.0 1.8 5.5 895 813 A 104 LEU HA A 105 THR H 1.0 1.8 3.5 896 814 A 104 LEU HD11 A 105 THR H 1.0 1.8 6.5 897 815 A 104 LEU HD21 A 105 THR H 1.0 1.8 4.5 898 816 A 105 THR H A 105 THR HA 1.0 1.8 4.0 899 817 A 105 THR HB A 105 THR HA 1.0 1.8 5.0 900 818 A 105 THR H A 105 THR HB 1.0 1.8 3.5 901 819 A 105 THR HG21 A 105 THR HA 1.0 1.8 4.0 902 820 A 105 THR HG21 A 105 THR H 1.0 1.8 5.5 903 821 A 105 THR HG21 A 107 PHE HE% 1.0 1.8 7.0 904 822 A 105 THR HA A 132 THR HB 1.0 1.8 3.5 905 823 A 105 THR HA A 132 THR HG21 1.0 1.8 5.5 906 824 A 78 TRP HBy A 106 ILE HA 1.0 1.8 4.5 907 825 A 78 TRP HBx A 106 ILE HA 1.0 1.8 4.0 908 826 A 104 LEU HD11 A 106 ILE HD11 1.0 1.8 6.0 909 827 A 104 LEU HD21 A 106 ILE H 1.0 1.8 5.5 910 828 A 104 LEU HD21 A 106 ILE HD11 1.0 1.8 7.0 911 829 A 105 THR HA A 106 ILE H 1.0 1.8 3.0 912 830 A 106 ILE HA A 106 ILE H 1.0 1.8 3.5 913 831 A 106 ILE HA A 106 ILE HB 1.0 1.8 3.5 914 832 A 106 ILE H A 106 ILE HB 1.0 1.8 3.0 915 833 A 106 ILE HA A 106 ILE HD11 1.0 1.8 5.0 916 834 A 106 ILE HD11 A 106 ILE H 1.0 1.8 3.5 917 835 A 106 ILE HA A 106 ILE HG1y 1.0 1.8 5.0 918 836 A 106 ILE HA A 106 ILE HG1x 1.0 1.8 5.0 919 837 A 106 ILE HA A 106 ILE HG21 1.0 1.8 5.5 920 838 A 106 ILE HG21 A 106 ILE H 1.0 1.8 4.5 921 839 A 132 THR HB A 106 ILE H 1.0 1.8 3.5 922 840 A 106 ILE H A 133 ILE HA 1.0 1.8 3.5 923 841 A 106 ILE H A 133 ILE HD11 1.0 1.8 4.5 924 842 A 106 ILE H A 133 ILE HG1y 1.0 1.8 4.0 925 843 A 106 ILE HD11 A 133 ILE HG21 1.0 1.8 6.0 926 844 A 77 THR HG21 A 107 PHE HZ 1.0 1.8 5.0 927 845 A 77 THR HG21 A 107 PHE HD% 1.0 1.8 5.5 928 846 A 79 TYR HA A 107 PHE H 1.0 1.8 4.0 929 847 A 107 PHE HD% A 79 TYR HA 1.0 1.8 5.0 930 848 A 107 PHE HD% A 79 TYR HE% 1.0 1.8 5.5 931 849 A 79 TYR HE% A 107 PHE HE% 1.0 1.8 7.0 932 850 A 105 THR HG21 A 107 PHE HZ 1.0 1.8 4.5 933 851 A 106 ILE HA A 107 PHE H 1.0 1.8 4.0 934 852 A 106 ILE HG21 A 107 PHE H 1.0 1.8 5.0 935 853 A 107 PHE HD% A 107 PHE HA 1.0 1.8 4.5 936 854 A 107 PHE HBy A 107 PHE HA 1.0 1.8 6.0 937 855 A 107 PHE HBy A 107 PHE H 1.0 1.8 4.0 938 856 A 107 PHE HD% A 107 PHE HBy 1.0 1.8 4.5 939 857 A 107 PHE HBx A 107 PHE HA 1.0 1.8 5.0 940 858 A 107 PHE HBx A 107 PHE H 1.0 1.8 3.5 941 859 A 107 PHE HD% A 107 PHE HBx 1.0 1.8 4.0 942 860 A 107 PHE HD% A 107 PHE H 1.0 1.8 4.5 943 861 A 107 PHE HE% A 107 PHE H 1.0 1.8 6.5 944 862 A 107 PHE HZ A 134 LYS HDy 1.0 1.8 3.5 945 863 A 107 PHE HD% A 134 LYS HDy 1.0 1.8 5.5 946 864 A 107 PHE HE% A 134 LYS HDy 1.0 1.8 4.0 947 865 A 107 PHE HZ A 134 LYS HDx 1.0 1.8 3.5 948 866 A 107 PHE HE% A 134 LYS HDx 1.0 1.8 4.0 949 867 A 107 PHE HE% A 134 LYS HEx 1.0 1.8 4.8 950 867 A 107 PHE HE% A 134 LYS HEy 1.0 1.8 4.8 951 868 A 107 PHE HZ A 134 LYS HGx 1.0 1.8 3.5 952 869 A 107 PHE HD% A 134 LYS HGx 1.0 1.8 4.5 953 870 A 107 PHE HD% A 136 MET HA 1.0 1.8 4.5 954 871 A 107 PHE HE% A 136 MET HA 1.0 1.8 4.5 955 872 A 107 PHE HE% A 137 ASN HBx 1.0 1.8 4.5 956 873 A 107 PHE HE% A 140 GLU HBy 1.0 1.8 4.5 957 874 A 107 PHE HD% A 140 GLU HBx 1.0 1.8 4.5 958 875 A 107 PHE HD% A 140 GLU HGy 1.0 1.8 5.0 959 876 A 107 PHE HD% A 140 GLU HGx 1.0 1.8 3.5 960 877 A 140 GLU HGx A 107 PHE HE% 1.0 1.8 3.5 961 878 A 80 ILE HG21 A 108 VAL HA 1.0 1.8 5.5 962 879 A 107 PHE HA A 108 VAL H 1.0 1.8 3.5 963 880 A 107 PHE HD% A 108 VAL H 1.0 1.8 5.0 964 881 A 108 VAL HA A 108 VAL HB 1.0 1.8 4.5 965 882 A 108 VAL H A 108 VAL HB 1.0 1.8 3.5 966 883 A 108 VAL HA A 108 VAL HG11 1.0 1.8 6.5 967 884 A 108 VAL H A 108 VAL HG11 1.0 1.8 4.5 968 885 A 108 VAL HA A 108 VAL HG21 1.0 1.8 5.5 969 886 A 108 VAL H A 135 ILE HA 1.0 1.8 4.0 970 887 A 108 VAL H A 135 ILE HG21 1.0 1.8 6.5 971 888 A 108 VAL H A 136 MET H 1.0 1.8 3.5 972 889 A 80 ILE HG21 A 109 ALA H 1.0 1.8 5.0 973 890 A 108 VAL HA A 109 ALA H 1.0 1.8 3.0 974 891 A 108 VAL HG11 A 109 ALA HA 1.0 1.8 5.5 975 892 A 108 VAL HG11 A 109 ALA H 1.0 1.8 4.5 976 893 A 109 ALA H A 109 ALA HA 1.0 1.8 4.0 977 894 A 109 ALA H A 109 ALA HB1 1.0 1.8 4.0 978 895 A 109 ALA H A 110 ARG H 1.0 1.8 3.0 979 896 A 109 ALA HB1 A 136 MET HE1 1.0 1.8 7.0 980 897 A 108 VAL HG11 A 110 ARG H 1.0 1.8 4.5 981 898 A 109 ALA HB1 A 110 ARG H 1.0 1.8 4.0 982 899 A 110 ARG H A 110 ARG HA 1.0 1.8 3.5 983 900 A 110 ARG H A 110 ARG HBy 1.0 1.8 3.5 984 901 A 110 ARG H A 110 ARG HBx 1.0 1.8 3.5 985 902 A 111 LEU HA A 111 LEU H 1.0 1.8 3.5 986 903 A 111 LEU H A 111 LEU HBx 1.0 1.8 4.3 987 903 A 111 LEU H A 111 LEU HBy 1.0 1.8 4.3 988 904 A 111 LEU HA A 111 LEU HD21 1.0 1.8 5.5 989 905 A 111 LEU H A 169 LEU HD11 1.0 1.8 5.0 990 906 A 111 LEU H A 169 LEU HD21 1.0 1.8 5.0 991 907 A 169 LEU HD21 A 111 LEU HD11 1.0 1.8 7.0 992 908 A 118 ASP HA A 118 ASP H 1.0 1.8 3.5 993 909 A 118 ASP HA A 118 ASP HBy 1.0 1.8 3.5 994 910 A 118 ASP H A 118 ASP HBy 1.0 1.8 3.0 995 911 A 118 ASP HA A 118 ASP HBx 1.0 1.8 3.5 996 912 A 118 ASP H A 118 ASP HBx 1.0 1.8 3.0 997 913 A 118 ASP H A 119 TYR H 1.0 1.8 2.5 998 914 A 118 ASP HA A 121 GLU HBx 1.0 1.8 6.3 999 914 A 118 ASP HA A 121 GLU HBy 1.0 1.8 6.3 1000 915 A 86 THR HA A 119 TYR HD% 1.0 1.8 4.0 1001 916 A 86 THR HA A 119 TYR HE% 1.0 1.8 4.5 1002 917 A 89 ALA HB1 A 119 TYR HE% 1.0 1.8 7.0 1003 918 A 118 ASP HBy A 119 TYR H 1.0 1.8 3.5 1004 919 A 119 TYR H A 119 TYR HA 1.0 1.8 4.0 1005 920 A 119 TYR HD% A 119 TYR HA 1.0 1.8 4.0 1006 921 A 119 TYR HA A 119 TYR HBy 1.0 1.8 4.0 1007 922 A 119 TYR H A 119 TYR HBy 1.0 1.8 3.5 1008 923 A 119 TYR HD% A 119 TYR HBy 1.0 1.8 4.0 1009 924 A 119 TYR HA A 119 TYR HBx 1.0 1.8 3.5 1010 925 A 119 TYR H A 119 TYR HBx 1.0 1.8 3.5 1011 926 A 119 TYR HD% A 119 TYR HBx 1.0 1.8 4.0 1012 927 A 119 TYR H A 119 TYR HD% 1.0 1.8 4.5 1013 928 A 122 ALA HB1 A 119 TYR HA 1.0 1.8 4.5 1014 929 A 119 TYR HE% A 123 LEU HG 1.0 1.8 5.0 1015 930 A 123 LEU HD21 A 119 TYR HE% 1.0 1.8 5.5 1016 931 A 119 TYR HA A 120 GLN H 1.0 1.8 3.5 1017 932 A 119 TYR HBy A 120 GLN H 1.0 1.8 3.5 1018 933 A 119 TYR HBx A 120 GLN H 1.0 1.8 3.5 1019 934 A 119 TYR HD% A 120 GLN H 1.0 1.8 4.5 1020 935 A 120 GLN H A 120 GLN HA 1.0 1.8 4.0 1021 936 A 120 GLN HA A 120 GLN HBx 1.0 1.8 6.3 1022 936 A 120 GLN HA A 120 GLN HBy 1.0 1.8 6.3 1023 937 A 120 GLN H A 120 GLN HBx 1.0 1.8 3.8 1024 937 A 120 GLN H A 120 GLN HBy 1.0 1.8 3.8 1025 938 A 120 GLN HA A 120 GLN HGx 1.0 1.8 5.3 1026 938 A 120 GLN HA A 120 GLN HGy 1.0 1.8 5.3 1027 939 A 120 GLN H A 120 GLN HGx 1.0 1.8 4.3 1028 939 A 120 GLN H A 120 GLN HGy 1.0 1.8 4.3 1029 940 A 120 GLN HA A 123 LEU HBx 1.0 1.8 6.0 1030 941 A 120 GLN H A 176 ILE HG21 1.0 1.8 6.5 1031 942 A 118 ASP HA A 121 GLU H 1.0 1.8 4.0 1032 943 A 120 GLN HA A 121 GLU H 1.0 1.8 4.0 1033 944 A 121 GLU H A 121 GLU HA 1.0 1.8 3.0 1034 945 A 121 GLU HA A 121 GLU HBx 1.0 1.8 3.8 1035 945 A 121 GLU HBy A 121 GLU HA 1.0 1.8 3.8 1036 946 A 121 GLU H A 121 GLU HBx 1.0 1.8 3.3 1037 946 A 121 GLU HBy A 121 GLU H 1.0 1.8 3.3 1038 947 A 121 GLU H A 121 GLU HGx 1.0 1.8 3.8 1039 947 A 121 GLU H A 121 GLU HGy 1.0 1.8 3.8 1040 948 A 121 GLU H A 177 LEU HBx 1.0 1.8 3.5 1041 949 A 119 TYR HA A 122 ALA H 1.0 1.8 3.5 1042 950 A 122 ALA H A 121 GLU HBx 1.0 1.8 3.8 1043 950 A 121 GLU HBy A 122 ALA H 1.0 1.8 3.8 1044 951 A 122 ALA H A 121 GLU HGx 1.0 1.8 4.3 1045 951 A 121 GLU HGy A 122 ALA H 1.0 1.8 4.3 1046 952 A 122 ALA H A 122 ALA HA 1.0 1.8 3.0 1047 953 A 122 ALA HB1 A 122 ALA H 1.0 1.8 3.5 1048 954 A 122 ALA H A 123 LEU H 1.0 1.8 3.0 1049 955 A 120 GLN HA A 123 LEU H 1.0 1.8 4.5 1050 956 A 122 ALA HA A 123 LEU H 1.0 1.8 4.0 1051 957 A 122 ALA HB1 A 123 LEU H 1.0 1.8 4.5 1052 958 A 123 LEU H A 123 LEU HA 1.0 1.8 4.0 1053 959 A 123 LEU HA A 123 LEU HBy 1.0 1.8 3.5 1054 960 A 123 LEU HG A 123 LEU HBy 1.0 1.8 3.5 1055 961 A 123 LEU HD11 A 123 LEU HBy 1.0 1.8 5.5 1056 962 A 123 LEU HD21 A 123 LEU HBy 1.0 1.8 5.5 1057 963 A 123 LEU HD21 A 123 LEU H 1.0 1.8 5.5 1058 964 A 121 GLU HA A 124 ARG H 1.0 1.8 3.0 1059 965 A 123 LEU HBy A 124 ARG H 1.0 1.8 4.0 1060 966 A 123 LEU HBx A 124 ARG H 1.0 1.8 3.5 1061 967 A 124 ARG H A 124 ARG HBx 1.0 1.8 3.0 1062 968 A 124 ARG H A 124 ARG HDy 1.0 1.8 4.5 1063 969 A 124 ARG H A 124 ARG HDx 1.0 1.8 4.0 1064 970 A 124 ARG H A 124 ARG HGx 1.0 1.8 3.8 1065 970 A 124 ARG H A 124 ARG HGy 1.0 1.8 3.8 1066 971 A 124 ARG H A 125 SER H 1.0 1.8 3.0 1067 972 A 122 ALA HA A 125 SER H 1.0 1.8 3.0 1068 973 A 124 ARG HBx A 125 SER H 1.0 1.8 3.5 1069 974 A 125 SER H A 124 ARG HGx 1.0 1.8 4.3 1070 974 A 124 ARG HGy A 125 SER H 1.0 1.8 4.3 1071 975 A 125 SER H A 125 SER HA 1.0 1.8 3.0 1072 976 A 125 SER H A 125 SER HBx 1.0 1.8 3.3 1073 976 A 125 SER H A 125 SER HBy 1.0 1.8 3.3 1074 977 A 125 SER H A 126 LEU H 1.0 1.8 3.0 1075 978 A 125 SER HA A 128 GLN HBx 1.0 1.8 4.3 1076 978 A 125 SER HA A 128 GLN HBy 1.0 1.8 4.3 1077 979 A 104 LEU HD11 A 126 LEU HD21 1.0 1.8 7.0 1078 980 A 104 LEU HD21 A 126 LEU HD21 1.0 1.8 7.0 1079 981 A 123 LEU HA A 126 LEU H 1.0 1.8 3.0 1080 982 A 125 SER HA A 126 LEU H 1.0 1.8 3.5 1081 983 A 125 SER H A 126 LEU H 1.0 1.8 3.0 1082 984 A 126 LEU H A 126 LEU HA 1.0 1.8 3.0 1083 985 A 126 LEU H A 126 LEU HBy 1.0 1.8 3.5 1084 986 A 126 LEU HBy A 126 LEU HD11 1.0 1.8 5.5 1085 987 A 126 LEU HA A 126 LEU HBx 1.0 1.8 3.5 1086 988 A 126 LEU H A 126 LEU HBx 1.0 1.8 3.0 1087 989 A 126 LEU HA A 126 LEU HD11 1.0 1.8 5.5 1088 990 A 126 LEU H A 126 LEU HD11 1.0 1.8 4.0 1089 991 A 124 ARG HA A 127 ALA H 1.0 1.8 3.5 1090 992 A 124 ARG HA A 127 ALA HB1 1.0 1.8 6.5 1091 993 A 126 LEU HA A 127 ALA H 1.0 1.8 3.5 1092 994 A 126 LEU H A 127 ALA H 1.0 1.8 2.5 1093 995 A 126 LEU HBy A 127 ALA H 1.0 1.8 3.5 1094 996 A 126 LEU HD11 A 127 ALA H 1.0 1.8 4.0 1095 997 A 127 ALA H A 127 ALA HB1 1.0 1.8 3.5 1096 998 A 133 ILE HD11 A 127 ALA HB1 1.0 1.8 7.0 1097 999 A 125 SER HA A 128 GLN H 1.0 1.8 3.0 1098 1000 A 127 ALA H A 128 GLN H 1.0 1.8 2.5 1099 1001 A 127 ALA HB1 A 128 GLN H 1.0 1.8 3.5 1100 1002 A 128 GLN H A 128 GLN HA 1.0 1.8 3.0 1101 1003 A 128 GLN HA A 128 GLN HBx 1.0 1.8 6.3 1102 1003 A 128 GLN HBy A 128 GLN HA 1.0 1.8 6.3 1103 1004 A 128 GLN H A 128 GLN HBx 1.0 1.8 3.3 1104 1004 A 128 GLN HBy A 128 GLN H 1.0 1.8 3.3 1105 1005 A 128 GLN HA A 128 GLN HGx 1.0 1.8 4.3 1106 1005 A 128 GLN HA A 128 GLN HGy 1.0 1.8 4.3 1107 1006 A 128 GLN H A 128 GLN HGx 1.0 1.8 3.8 1108 1006 A 128 GLN H A 128 GLN HGy 1.0 1.8 3.8 1109 1007 A 128 GLN H A 129 ALA H 1.0 1.8 2.5 1110 1008 A 96 LEU HD11 A 129 ALA H 1.0 1.8 4.5 1111 1009 A 129 ALA HB1 A 96 LEU HD21 1.0 1.8 7.0 1112 1010 A 126 LEU HA A 129 ALA H 1.0 1.8 3.5 1113 1011 A 129 ALA HB1 A 126 LEU HA 1.0 1.8 6.5 1114 1012 A 128 GLN HA A 129 ALA H 1.0 1.8 3.5 1115 1013 A 129 ALA H A 128 GLN HBx 1.0 1.8 3.8 1116 1013 A 128 GLN HBy A 129 ALA H 1.0 1.8 3.8 1117 1014 A 129 ALA H A 128 GLN HGx 1.0 1.8 4.3 1118 1014 A 128 GLN HGy A 129 ALA H 1.0 1.8 4.3 1119 1015 A 129 ALA HB1 A 129 ALA H 1.0 1.8 3.5 1120 1016 A 129 ALA H A 130 GLY H 1.0 1.8 2.5 1121 1017 A 96 LEU HD11 A 130 GLY H 1.0 1.8 4.5 1122 1018 A 129 ALA HB1 A 130 GLY H 1.0 1.8 4.0 1123 1019 A 130 GLY H A 130 GLY HA2 1.0 1.8 3.0 1124 1020 A 130 GLY H A 131 ALA H 1.0 1.8 2.5 1125 1021 A 96 LEU HD11 A 131 ALA HA 1.0 1.8 5.0 1126 1022 A 96 LEU HD11 A 131 ALA H 1.0 1.8 4.0 1127 1023 A 104 LEU HBx A 131 ALA HA 1.0 1.8 4.0 1128 1024 A 104 LEU HD11 A 131 ALA HA 1.0 1.8 6.5 1129 1025 A 104 LEU HD11 A 131 ALA HB1 1.0 1.8 6.0 1130 1026 A 104 LEU HD21 A 131 ALA HA 1.0 1.8 6.5 1131 1027 A 129 ALA HB1 A 131 ALA H 1.0 1.8 4.5 1132 1028 A 130 GLY HA2 A 131 ALA H 1.0 1.8 3.0 1133 1029 A 131 ALA H A 131 ALA HA 1.0 1.8 3.0 1134 1030 A 131 ALA HB1 A 131 ALA H 1.0 1.8 3.5 1135 1031 A 104 LEU H A 132 THR H 1.0 1.8 4.0 1136 1032 A 104 LEU HD11 A 132 THR H 1.0 1.8 5.5 1137 1033 A 105 THR HA A 132 THR H 1.0 1.8 2.5 1138 1034 A 105 THR HG21 A 132 THR HB 1.0 1.8 4.5 1139 1035 A 105 THR HG21 A 132 THR H 1.0 1.8 4.5 1140 1036 A 105 THR HG21 A 132 THR HG21 1.0 1.8 6.0 1141 1037 A 106 ILE H A 132 THR H 1.0 1.8 3.5 1142 1038 A 131 ALA HA A 132 THR H 1.0 1.8 2.5 1143 1039 A 131 ALA HB1 A 132 THR H 1.0 1.8 4.0 1144 1040 A 132 THR H A 132 THR HA 1.0 1.8 3.0 1145 1041 A 132 THR HB A 132 THR HA 1.0 1.8 3.5 1146 1042 A 132 THR HB A 132 THR H 1.0 1.8 3.0 1147 1043 A 132 THR HG21 A 132 THR HA 1.0 1.8 4.0 1148 1044 A 132 THR HG21 A 132 THR H 1.0 1.8 4.5 1149 1045 A 132 THR HA A 133 ILE H 1.0 1.8 2.5 1150 1046 A 132 THR HG21 A 133 ILE H 1.0 1.8 3.5 1151 1047 A 133 ILE HA A 133 ILE H 1.0 1.8 3.5 1152 1048 A 133 ILE HA A 133 ILE HG21 1.0 1.8 6.5 1153 1049 A 133 ILE HA A 133 ILE HB 1.0 1.8 5.0 1154 1050 A 133 ILE H A 133 ILE HB 1.0 1.8 3.0 1155 1051 A 133 ILE HG1y A 133 ILE HB 1.0 1.8 3.5 1156 1052 A 133 ILE HB A 133 ILE HG1x 1.0 1.8 5.0 1157 1053 A 133 ILE HD11 A 133 ILE H 1.0 1.8 4.0 1158 1054 A 105 THR HG21 A 134 LYS HDx 1.0 1.8 5.0 1159 1055 A 107 PHE HA A 134 LYS H 1.0 1.8 3.0 1160 1056 A 107 PHE HD% A 134 LYS H 1.0 1.8 4.5 1161 1057 A 107 PHE HE% A 134 LYS H 1.0 1.8 5.0 1162 1058 A 133 ILE HA A 134 LYS H 1.0 1.8 3.0 1163 1059 A 133 ILE HG21 A 134 LYS H 1.0 1.8 3.5 1164 1060 A 134 LYS H A 134 LYS HA 1.0 1.8 3.5 1165 1061 A 134 LYS HA A 134 LYS HBy 1.0 1.8 3.5 1166 1062 A 134 LYS H A 134 LYS HBy 1.0 1.8 3.0 1167 1063 A 134 LYS HA A 134 LYS HBx 1.0 1.8 3.5 1168 1064 A 134 LYS HA A 134 LYS HGy 1.0 1.8 3.5 1169 1065 A 134 LYS HGx A 134 LYS H 1.0 1.8 3.0 1170 1066 A 134 LYS HA A 173 LEU HD21 1.0 1.8 4.5 1171 1067 A 134 LYS HA A 135 ILE H 1.0 1.8 3.0 1172 1068 A 135 ILE HA A 135 ILE H 1.0 1.8 3.5 1173 1069 A 135 ILE H A 135 ILE HB 1.0 1.8 3.0 1174 1070 A 135 ILE HB A 135 ILE HD11 1.0 1.8 5.5 1175 1071 A 135 ILE HB A 135 ILE HG1y 1.0 1.8 5.0 1176 1072 A 135 ILE HA A 135 ILE HD11 1.0 1.8 5.5 1177 1073 A 135 ILE H A 135 ILE HD11 1.0 1.8 4.0 1178 1074 A 135 ILE HG21 A 135 ILE HD11 1.0 1.8 7.0 1179 1075 A 135 ILE H A 135 ILE HG1x 1.0 1.8 3.0 1180 1076 A 135 ILE HG21 A 135 ILE HG1x 1.0 1.8 5.5 1181 1077 A 135 ILE HA A 135 ILE HG21 1.0 1.8 5.5 1182 1078 A 135 ILE HG21 A 135 ILE HD11 1.0 1.8 6.0 1183 1079 A 135 ILE HG21 A 169 LEU HBy 1.0 1.8 6.5 1184 1080 A 135 ILE HG21 A 169 LEU HD21 1.0 1.8 7.0 1185 1081 A 135 ILE H A 170 SER HA 1.0 1.8 3.5 1186 1082 A 173 LEU HD21 A 135 ILE HB 1.0 1.8 5.0 1187 1083 A 173 LEU HD21 A 135 ILE H 1.0 1.8 4.0 1188 1084 A 107 PHE HBy A 136 MET H 1.0 1.8 4.0 1189 1085 A 136 MET H A 109 ALA HA 1.0 1.8 4.0 1190 1086 A 136 MET H A 109 ALA HB1 1.0 1.8 5.5 1191 1087 A 135 ILE HA A 136 MET H 1.0 1.8 3.5 1192 1088 A 136 MET H A 135 ILE HD11 1.0 1.8 5.0 1193 1089 A 135 ILE HG21 A 136 MET H 1.0 1.8 4.0 1194 1090 A 136 MET HA A 136 MET H 1.0 1.8 4.0 1195 1091 A 136 MET H A 136 MET HBy 1.0 1.8 3.0 1196 1092 A 136 MET H A 136 MET HBx 1.0 1.8 4.0 1197 1093 A 136 MET H A 136 MET HGy 1.0 1.8 4.0 1198 1094 A 136 MET H A 136 MET HGx 1.0 1.8 3.5 1199 1095 A 136 MET HE1 A 136 MET HGx 1.0 1.8 6.5 1200 1096 A 107 PHE HD% A 137 ASN H 1.0 1.8 5.5 1201 1097 A 136 MET HA A 137 ASN H 1.0 1.8 3.0 1202 1098 A 136 MET HBx A 137 ASN H 1.0 1.8 4.0 1203 1099 A 136 MET HGx A 137 ASN H 1.0 1.8 4.5 1204 1100 A 137 ASN H A 137 ASN HA 1.0 1.8 4.0 1205 1101 A 137 ASN HA A 137 ASN HBy 1.0 1.8 4.0 1206 1102 A 137 ASN H A 137 ASN HBy 1.0 1.8 3.5 1207 1103 A 137 ASN HBx A 137 ASN HA 1.0 1.8 4.0 1208 1104 A 137 ASN HBx A 137 ASN H 1.0 1.8 3.5 1209 1105 A 137 ASN HBy A 139 ASP HBx 1.0 1.8 4.3 1210 1105 A 137 ASN HBy A 139 ASP HBy 1.0 1.8 4.3 1211 1106 A 140 GLU HBy A 137 ASN H 1.0 1.8 3.5 1212 1107 A 140 GLU HBx A 137 ASN H 1.0 1.8 3.5 1213 1108 A 137 ASN HA A 162 LEU HD21 1.0 1.8 6.5 1214 1109 A 137 ASN HA A 166 SER HBx 1.0 1.8 4.8 1215 1109 A 137 ASN HA A 166 SER HBy 1.0 1.8 4.8 1216 1110 A 137 ASN HA A 138 TYR H 1.0 1.8 3.5 1217 1111 A 137 ASN HBy A 138 TYR H 1.0 1.8 3.0 1218 1112 A 138 TYR H A 138 TYR HA 1.0 1.8 3.5 1219 1113 A 138 TYR HA A 138 TYR HD% 1.0 1.8 4.0 1220 1114 A 138 TYR HA A 138 TYR HBy 1.0 1.8 3.5 1221 1115 A 138 TYR H A 138 TYR HBy 1.0 1.8 3.0 1222 1116 A 138 TYR HD% A 138 TYR HBy 1.0 1.8 4.0 1223 1117 A 138 TYR HA A 138 TYR HBx 1.0 1.8 3.5 1224 1118 A 138 TYR H A 138 TYR HBx 1.0 1.8 3.0 1225 1119 A 138 TYR H A 138 TYR HD% 1.0 1.8 4.5 1226 1120 A 138 TYR HD% A 139 ASP HA 1.0 1.8 4.5 1227 1121 A 138 TYR HD% A 139 ASP HBx 1.0 1.8 4.8 1228 1121 A 139 ASP HBy A 138 TYR HD% 1.0 1.8 4.8 1229 1122 A 138 TYR H A 141 PHE HE% 1.0 1.8 4.5 1230 1123 A 156 PHE HD% A 138 TYR HE% 1.0 1.8 5.5 1231 1124 A 138 TYR HA A 162 LEU HD11 1.0 1.8 5.5 1232 1125 A 138 TYR H A 162 LEU HD11 1.0 1.8 6.5 1233 1126 A 138 TYR HBx A 162 LEU HD11 1.0 1.8 5.0 1234 1127 A 138 TYR HD% A 162 LEU HD11 1.0 1.8 7.0 1235 1128 A 162 LEU HD21 A 138 TYR HA 1.0 1.8 4.5 1236 1129 A 162 LEU HD21 A 138 TYR H 1.0 1.8 4.5 1237 1130 A 162 LEU HD21 A 138 TYR HBx 1.0 1.8 5.0 1238 1131 A 162 LEU HD21 A 138 TYR HD% 1.0 1.8 7.0 1239 1132 A 137 ASN HA A 139 ASP H 1.0 1.8 4.0 1240 1133 A 137 ASN HBy A 139 ASP H 1.0 1.8 3.0 1241 1134 A 138 TYR HA A 139 ASP H 1.0 1.8 3.5 1242 1135 A 138 TYR H A 139 ASP H 1.0 1.8 3.0 1243 1136 A 138 TYR HBy A 139 ASP H 1.0 1.8 3.0 1244 1137 A 138 TYR HD% A 139 ASP H 1.0 1.8 4.0 1245 1138 A 139 ASP HA A 139 ASP H 1.0 1.8 3.5 1246 1139 A 139 ASP HA A 139 ASP HBx 1.0 1.8 4.3 1247 1139 A 139 ASP HBy A 139 ASP HA 1.0 1.8 4.3 1248 1140 A 139 ASP H A 139 ASP HBx 1.0 1.8 3.3 1249 1140 A 139 ASP HBy A 139 ASP H 1.0 1.8 3.3 1250 1141 A 139 ASP H A 140 GLU H 1.0 1.8 3.0 1251 1142 A 139 ASP HA A 142 GLN HBx 1.0 1.8 4.3 1252 1142 A 139 ASP HA A 142 GLN HBy 1.0 1.8 4.3 1253 1143 A 137 ASN HA A 140 GLU H 1.0 1.8 4.0 1254 1144 A 137 ASN H A 140 GLU H 1.0 1.8 3.0 1255 1145 A 137 ASN HBy A 140 GLU H 1.0 1.8 4.5 1256 1146 A 137 ASN HBx A 140 GLU H 1.0 1.8 3.5 1257 1147 A 139 ASP HA A 140 GLU H 1.0 1.8 3.5 1258 1148 A 140 GLU H A 139 ASP HBx 1.0 1.8 3.8 1259 1148 A 139 ASP HBy A 140 GLU H 1.0 1.8 3.8 1260 1149 A 140 GLU H A 140 GLU HA 1.0 1.8 3.0 1261 1150 A 140 GLU HBy A 140 GLU H 1.0 1.8 3.0 1262 1151 A 140 GLU HGy A 140 GLU H 1.0 1.8 3.0 1263 1152 A 140 GLU HGx A 140 GLU H 1.0 1.8 3.5 1264 1153 A 140 GLU H A 141 PHE H 1.0 1.8 2.5 1265 1154 A 140 GLU HA A 143 HIS HBy 1.0 1.8 6.0 1266 1155 A 140 GLU HA A 143 HIS HBx 1.0 1.8 6.0 1267 1156 A 10 PHE HBy A 141 PHE HD% 1.0 1.8 4.5 1268 1157 A 10 PHE HBy A 141 PHE HE% 1.0 1.8 5.0 1269 1158 A 10 PHE HBx A 141 PHE HD% 1.0 1.8 4.5 1270 1159 A 10 PHE HD% A 141 PHE HE% 1.0 1.8 6.0 1271 1160 A 137 ASN HA A 141 PHE HD% 1.0 1.8 5.5 1272 1161 A 138 TYR HA A 141 PHE H 1.0 1.8 3.5 1273 1162 A 138 TYR HA A 141 PHE HD% 1.0 1.8 4.5 1274 1163 A 138 TYR HA A 141 PHE HE% 1.0 1.8 5.5 1275 1164 A 140 GLU HBy A 141 PHE H 1.0 1.8 3.5 1276 1165 A 140 GLU HGy A 141 PHE H 1.0 1.8 3.0 1277 1166 A 140 GLU HGy A 141 PHE HZ 1.0 1.8 4.0 1278 1167 A 140 GLU HGy A 141 PHE HD% 1.0 1.8 4.0 1279 1168 A 140 GLU HGy A 141 PHE HE% 1.0 1.8 5.0 1280 1169 A 140 GLU HGx A 141 PHE H 1.0 1.8 3.5 1281 1170 A 141 PHE H A 141 PHE HA 1.0 1.8 3.5 1282 1171 A 141 PHE HD% A 141 PHE HA 1.0 1.8 4.5 1283 1172 A 141 PHE HBy A 141 PHE HD% 1.0 1.8 4.0 1284 1173 A 141 PHE H A 141 PHE HBx 1.0 1.8 3.0 1285 1174 A 141 PHE HD% A 141 PHE HBx 1.0 1.8 4.0 1286 1175 A 141 PHE H A 141 PHE HD% 1.0 1.8 4.0 1287 1176 A 141 PHE H A 142 GLN H 1.0 1.8 3.0 1288 1177 A 144 CYS HBy A 141 PHE HA 1.0 1.8 4.0 1289 1178 A 144 CYS HBx A 141 PHE HA 1.0 1.8 4.0 1290 1179 A 141 PHE HD% A 156 PHE HZ 1.0 1.8 5.5 1291 1180 A 162 LEU HD11 A 141 PHE HD% 1.0 1.8 7.0 1292 1181 A 141 PHE HE% A 162 LEU HD11 1.0 1.8 7.0 1293 1182 A 162 LEU HD21 A 141 PHE HZ 1.0 1.8 6.5 1294 1183 A 162 LEU HD21 A 141 PHE HD% 1.0 1.8 7.0 1295 1184 A 139 ASP HA A 142 GLN H 1.0 1.8 3.5 1296 1185 A 141 PHE HBx A 142 GLN H 1.0 1.8 3.0 1297 1186 A 141 PHE HD% A 142 GLN H 1.0 1.8 4.0 1298 1187 A 142 GLN H A 142 GLN HA 1.0 1.8 3.5 1299 1188 A 142 GLN H A 142 GLN HBx 1.0 1.8 3.8 1300 1188 A 142 GLN HBy A 142 GLN H 1.0 1.8 3.8 1301 1189 A 142 GLN H A 142 GLN HGx 1.0 1.8 3.8 1302 1189 A 142 GLN H A 142 GLN HGy 1.0 1.8 3.8 1303 1190 A 142 GLN H A 143 HIS H 1.0 1.8 3.0 1304 1191 A 156 PHE HD% A 142 GLN H 1.0 1.8 4.5 1305 1192 A 142 GLN H A 156 PHE HE% 1.0 1.8 4.5 1306 1193 A 140 GLU HA A 143 HIS H 1.0 1.8 3.5 1307 1194 A 143 HIS H A 142 GLN HBx 1.0 1.8 3.8 1308 1194 A 142 GLN HBy A 143 HIS H 1.0 1.8 3.8 1309 1195 A 143 HIS H A 142 GLN HGx 1.0 1.8 3.8 1310 1195 A 142 GLN HGy A 143 HIS H 1.0 1.8 3.8 1311 1196 A 143 HIS HBy A 143 HIS HA 1.0 1.8 3.0 1312 1197 A 143 HIS HBy A 143 HIS H 1.0 1.8 3.0 1313 1198 A 143 HIS HBx A 143 HIS HA 1.0 1.8 3.5 1314 1199 A 143 HIS HBx A 143 HIS H 1.0 1.8 3.0 1315 1200 A 141 PHE HA A 144 CYS H 1.0 1.8 3.5 1316 1201 A 143 HIS HBy A 144 CYS H 1.0 1.8 3.0 1317 1202 A 143 HIS HBx A 144 CYS H 1.0 1.8 3.5 1318 1203 A 144 CYS H A 144 CYS HA 1.0 1.8 3.5 1319 1204 A 144 CYS HBy A 144 CYS H 1.0 1.8 3.0 1320 1205 A 144 CYS HBx A 144 CYS H 1.0 1.8 3.0 1321 1206 A 144 CYS H A 145 TRP H 1.0 1.8 3.0 1322 1207 A 144 CYS HA A 147 LYS HBx 1.0 1.8 3.5 1323 1208 A 142 GLN HA A 145 TRP H 1.0 1.8 4.0 1324 1209 A 144 CYS HA A 145 TRP H 1.0 1.8 3.5 1325 1210 A 144 CYS HBy A 145 TRP H 1.0 1.8 3.5 1326 1211 A 145 TRP H A 145 TRP HA 1.0 1.8 3.5 1327 1212 A 145 TRP H A 145 TRP HBy 1.0 1.8 3.0 1328 1213 A 145 TRP HBy A 145 TRP HD1 1.0 1.8 3.0 1329 1214 A 145 TRP HBy A 145 TRP HE3 1.0 1.8 5.0 1330 1215 A 145 TRP HA A 145 TRP HBx 1.0 1.8 4.0 1331 1216 A 145 TRP H A 145 TRP HBx 1.0 1.8 3.0 1332 1217 A 145 TRP HBy A 145 TRP HBx 1.0 1.8 3.5 1333 1218 A 145 TRP HD1 A 145 TRP HBx 1.0 1.8 3.5 1334 1219 A 145 TRP HE3 A 145 TRP HBx 1.0 1.8 5.0 1335 1220 A 145 TRP HE3 A 145 TRP HH2 1.0 1.8 4.0 1336 1221 A 145 TRP H A 146 SER H 1.0 1.8 3.0 1337 1222 A 145 TRP HA A 149 VAL HB 1.0 1.8 4.5 1338 1223 A 149 VAL HG11 A 145 TRP HA 1.0 1.8 6.5 1339 1224 A 149 VAL HG11 A 145 TRP HE1 1.0 1.8 5.5 1340 1225 A 149 VAL HG11 A 145 TRP HH2 1.0 1.8 5.0 1341 1226 A 149 VAL HG21 A 145 TRP HA 1.0 1.8 5.5 1342 1227 A 149 VAL HG21 A 145 TRP HE1 1.0 1.8 5.5 1343 1228 A 149 VAL HG21 A 145 TRP HE3 1.0 1.8 6.5 1344 1229 A 149 VAL HG21 A 145 TRP HH2 1.0 1.8 5.0 1345 1230 A 145 TRP HE1 A 151 SER HBy 1.0 1.8 3.0 1346 1231 A 145 TRP HE1 A 151 SER HBx 1.0 1.8 3.5 1347 1232 A 145 TRP HE1 A 154 ALA HB1 1.0 1.8 4.5 1348 1233 A 145 TRP HD1 A 156 PHE HBx 1.0 1.8 3.8 1349 1233 A 145 TRP HD1 A 156 PHE HBy 1.0 1.8 3.8 1350 1234 A 145 TRP HE1 A 156 PHE HBx 1.0 1.8 4.3 1351 1234 A 145 TRP HE1 A 156 PHE HBy 1.0 1.8 4.3 1352 1235 A 156 PHE HD% A 145 TRP H 1.0 1.8 4.5 1353 1236 A 156 PHE HD% A 145 TRP HD1 1.0 1.8 4.5 1354 1237 A 156 PHE HD% A 145 TRP HE1 1.0 1.8 5.0 1355 1238 A 143 HIS HA A 146 SER H 1.0 1.8 3.5 1356 1239 A 145 TRP HA A 146 SER H 1.0 1.8 4.0 1357 1240 A 145 TRP HBy A 146 SER H 1.0 1.8 3.5 1358 1241 A 145 TRP HD1 A 146 SER H 1.0 1.8 3.5 1359 1242 A 144 CYS HA A 147 LYS H 1.0 1.8 3.0 1360 1243 A 146 SER H A 147 LYS H 1.0 1.8 3.0 1361 1244 A 147 LYS H A 147 LYS HA 1.0 1.8 3.0 1362 1245 A 147 LYS H A 147 LYS HBy 1.0 1.8 3.5 1363 1246 A 147 LYS HBx A 147 LYS H 1.0 1.8 3.0 1364 1247 A 147 LYS H A 147 LYS HDy 1.0 1.8 3.5 1365 1248 A 147 LYS H A 147 LYS HEy 1.0 1.8 4.0 1366 1249 A 147 LYS H A 147 LYS HEx 1.0 1.8 4.0 1367 1250 A 147 LYS H A 147 LYS HGx 1.0 1.8 3.0 1368 1251 A 147 LYS H A 148 PHE H 1.0 1.8 3.0 1369 1252 A 148 PHE HD% A 25 CYS HBx 1.0 1.8 4.8 1370 1252 A 25 CYS HBy A 148 PHE HD% 1.0 1.8 4.8 1371 1253 A 148 PHE HE% A 25 CYS HBx 1.0 1.8 5.3 1372 1253 A 25 CYS HBy A 148 PHE HE% 1.0 1.8 5.3 1373 1254 A 148 PHE HE% A 46 GLN HGx 1.0 1.8 5.8 1374 1254 A 46 GLN HGy A 148 PHE HE% 1.0 1.8 5.8 1375 1255 A 79 TYR HD% A 148 PHE HD% 1.0 1.8 5.5 1376 1256 A 79 TYR HE% A 148 PHE HD% 1.0 1.8 6.0 1377 1257 A 79 TYR HE% A 148 PHE HE% 1.0 1.8 7.0 1378 1258 A 147 LYS HA A 148 PHE H 1.0 1.8 3.5 1379 1259 A 147 LYS HBy A 148 PHE H 1.0 1.8 3.5 1380 1260 A 147 LYS HBy A 148 PHE HD% 1.0 1.8 4.0 1381 1261 A 147 LYS HBx A 148 PHE H 1.0 1.8 3.5 1382 1262 A 147 LYS HBx A 148 PHE HD% 1.0 1.8 4.5 1383 1263 A 148 PHE H A 148 PHE HA 1.0 1.8 4.0 1384 1264 A 148 PHE HD% A 148 PHE HA 1.0 1.8 4.5 1385 1265 A 148 PHE H A 148 PHE HBy 1.0 1.8 3.5 1386 1266 A 148 PHE HD% A 148 PHE HBy 1.0 1.8 4.0 1387 1267 A 148 PHE H A 148 PHE HBx 1.0 1.8 3.5 1388 1268 A 148 PHE HD% A 148 PHE HBx 1.0 1.8 4.0 1389 1269 A 148 PHE H A 148 PHE HD% 1.0 1.8 4.0 1390 1270 A 148 PHE H A 149 VAL H 1.0 1.8 3.0 1391 1271 A 149 VAL HG21 A 145 TRP HBy 1.0 1.8 6.5 1392 1272 A 148 PHE HA A 149 VAL H 1.0 1.8 4.0 1393 1273 A 148 PHE HBy A 149 VAL H 1.0 1.8 4.0 1394 1274 A 148 PHE HBx A 149 VAL H 1.0 1.8 4.0 1395 1275 A 149 VAL HB A 149 VAL HA 1.0 1.8 5.0 1396 1276 A 149 VAL HB A 149 VAL H 1.0 1.8 3.5 1397 1277 A 149 VAL HG11 A 149 VAL HA 1.0 1.8 5.5 1398 1278 A 149 VAL HG11 A 149 VAL H 1.0 1.8 5.5 1399 1279 A 149 VAL HG21 A 149 VAL HA 1.0 1.8 5.5 1400 1280 A 149 VAL HG21 A 149 VAL H 1.0 1.8 4.5 1401 1281 A 149 VAL HA A 150 TYR H 1.0 1.8 3.5 1402 1282 A 149 VAL HB A 150 TYR H 1.0 1.8 3.5 1403 1283 A 149 VAL HG11 A 150 TYR H 1.0 1.8 4.0 1404 1284 A 149 VAL HG21 A 150 TYR H 1.0 1.8 5.0 1405 1285 A 150 TYR H A 150 TYR HA 1.0 1.8 3.0 1406 1286 A 150 TYR HA A 150 TYR HD% 1.0 1.8 4.0 1407 1287 A 150 TYR HA A 150 TYR HBy 1.0 1.8 3.5 1408 1288 A 150 TYR HD% A 150 TYR HBy 1.0 1.8 4.0 1409 1289 A 150 TYR HA A 150 TYR HBx 1.0 1.8 3.5 1410 1290 A 150 TYR H A 150 TYR HBx 1.0 1.8 3.0 1411 1291 A 150 TYR H A 150 TYR HD% 1.0 1.8 4.0 1412 1292 A 150 TYR H A 151 SER H 1.0 1.8 4.0 1413 1293 A 149 VAL HG11 A 151 SER H 1.0 1.8 4.5 1414 1294 A 149 VAL HG11 A 151 SER HBx 1.0 1.8 5.0 1415 1295 A 150 TYR HBy A 151 SER H 1.0 1.8 3.5 1416 1296 A 150 TYR HD% A 151 SER H 1.0 1.8 4.5 1417 1297 A 151 SER H A 151 SER HA 1.0 1.8 3.0 1418 1298 A 151 SER HBy A 151 SER H 1.0 1.8 3.0 1419 1299 A 151 SER HBx A 151 SER H 1.0 1.8 3.0 1420 1300 A 151 SER H A 152 GLN H 1.0 1.8 3.0 1421 1301 A 152 GLN H A 152 GLN HA 1.0 1.8 3.5 1422 1302 A 152 GLN HA A 153 GLY H 1.0 1.8 3.5 1423 1303 A 152 GLN H A 153 GLY H 1.0 1.8 3.5 1424 1304 A 153 GLY H A 153 GLY HA3 1.0 1.8 3.5 1425 1305 A 153 GLY H A 153 GLY HA2 1.0 1.8 3.0 1426 1306 A 145 TRP HE1 A 154 ALA H 1.0 1.8 3.5 1427 1307 A 153 GLY H A 154 ALA H 1.0 1.8 2.5 1428 1308 A 153 GLY HA2 A 154 ALA H 1.0 1.8 3.0 1429 1309 A 154 ALA H A 154 ALA HA 1.0 1.8 3.0 1430 1310 A 154 ALA HB1 A 154 ALA H 1.0 1.8 3.0 1431 1311 A 156 PHE HE% A 145 TRP HBy 1.0 1.8 4.5 1432 1312 A 156 PHE HD% A 145 TRP HBx 1.0 1.8 4.5 1433 1313 A 156 PHE HE% A 145 TRP HBx 1.0 1.8 5.0 1434 1314 A 145 TRP HD1 A 156 PHE H 1.0 1.8 3.0 1435 1315 A 156 PHE H A 156 PHE HA 1.0 1.8 3.0 1436 1316 A 156 PHE HD% A 156 PHE HA 1.0 1.8 4.0 1437 1317 A 156 PHE H A 156 PHE HBx 1.0 1.8 3.3 1438 1317 A 156 PHE HBy A 156 PHE H 1.0 1.8 3.3 1439 1318 A 156 PHE HD% A 156 PHE HBx 1.0 1.8 4.8 1440 1318 A 156 PHE HD% A 156 PHE HBy 1.0 1.8 4.8 1441 1319 A 162 LEU HD11 A 156 PHE HZ 1.0 1.8 5.5 1442 1320 A 156 PHE HD% A 162 LEU HD11 1.0 1.8 7.0 1443 1321 A 156 PHE HA A 157 GLN H 1.0 1.8 3.0 1444 1322 A 156 PHE HD% A 157 GLN H 1.0 1.8 3.5 1445 1323 A 157 GLN H A 157 GLN HA 1.0 1.8 3.5 1446 1324 A 157 GLN H A 157 GLN HBy 1.0 1.8 3.0 1447 1325 A 157 GLN HA A 157 GLN HBx 1.0 1.8 3.5 1448 1326 A 157 GLN H A 157 GLN HBx 1.0 1.8 3.5 1449 1327 A 157 GLN HA A 157 GLN HGx 1.0 1.8 4.3 1450 1327 A 157 GLN HA A 157 GLN HGy 1.0 1.8 4.3 1451 1328 A 157 GLN H A 157 GLN HGx 1.0 1.8 3.8 1452 1328 A 157 GLN H A 157 GLN HGy 1.0 1.8 3.8 1453 1329 A 159 TRP HE1 A 12 ASN HBx 1.0 1.8 4.8 1454 1329 A 12 ASN HBy A 159 TRP HE1 1.0 1.8 4.8 1455 1330 A 159 TRP HE1 A 13 ARG HBx 1.0 1.8 4.8 1456 1330 A 159 TRP HE1 A 13 ARG HBy 1.0 1.8 4.8 1457 1331 A 159 TRP HE1 A 13 ARG HGy 1.0 1.8 3.5 1458 1332 A 159 TRP HE1 A 13 ARG HGx 1.0 1.8 3.5 1459 1333 A 156 PHE HE% A 159 TRP HE3 1.0 1.8 5.0 1460 1334 A 159 TRP HE1 A 159 TRP H 1.0 1.8 4.0 1461 1335 A 159 TRP HBy A 159 TRP HA 1.0 1.8 4.5 1462 1336 A 159 TRP H A 159 TRP HBy 1.0 1.8 3.0 1463 1337 A 159 TRP HBy A 159 TRP HD1 1.0 1.8 4.0 1464 1338 A 159 TRP HE3 A 159 TRP HBy 1.0 1.8 3.5 1465 1339 A 159 TRP HA A 159 TRP HBx 1.0 1.8 4.5 1466 1340 A 159 TRP HD1 A 159 TRP HBx 1.0 1.8 3.5 1467 1341 A 159 TRP HE3 A 159 TRP HBx 1.0 1.8 3.5 1468 1342 A 159 TRP H A 159 TRP HD1 1.0 1.8 3.0 1469 1343 A 159 TRP HE1 A 159 TRP H 1.0 1.8 6.0 1470 1344 A 159 TRP HZ2 A 159 TRP HH2 1.0 1.8 3.0 1471 1345 A 159 TRP HH2 A 159 TRP HZ3 1.0 1.8 3.5 1472 1346 A 159 TRP HE3 A 159 TRP HZ3 1.0 1.8 3.0 1473 1347 A 159 TRP H A 160 ASP H 1.0 1.8 3.5 1474 1348 A 159 TRP HD1 A 162 LEU HA 1.0 1.8 4.0 1475 1349 A 159 TRP HE1 A 162 LEU HA 1.0 1.8 3.5 1476 1350 A 159 TRP HD1 A 162 LEU HG 1.0 1.8 4.0 1477 1351 A 159 TRP HE1 A 162 LEU HG 1.0 1.8 3.5 1478 1352 A 159 TRP HZ2 A 162 LEU HG 1.0 1.8 4.0 1479 1353 A 159 TRP H A 162 LEU H 1.0 1.8 3.0 1480 1354 A 159 TRP H A 162 LEU HBy 1.0 1.8 4.0 1481 1355 A 159 TRP HD1 A 162 LEU HBy 1.0 1.8 4.0 1482 1356 A 159 TRP H A 162 LEU HBx 1.0 1.8 4.0 1483 1357 A 159 TRP HE1 A 162 LEU HBx 1.0 1.8 4.0 1484 1358 A 162 LEU HD11 A 159 TRP H 1.0 1.8 4.0 1485 1359 A 162 LEU HD11 A 159 TRP HD1 1.0 1.8 5.5 1486 1360 A 159 TRP HE1 A 162 LEU HD11 1.0 1.8 5.0 1487 1361 A 162 LEU HD11 A 159 TRP HE3 1.0 1.8 6.5 1488 1362 A 162 LEU HD11 A 159 TRP HH2 1.0 1.8 6.5 1489 1363 A 159 TRP HZ2 A 162 LEU HD11 1.0 1.8 6.5 1490 1364 A 159 TRP HE1 A 162 LEU HD21 1.0 1.8 5.5 1491 1365 A 159 TRP HZ2 A 162 LEU HD21 1.0 1.8 6.5 1492 1366 A 159 TRP HBx A 160 ASP H 1.0 1.8 3.0 1493 1367 A 159 TRP HD1 A 160 ASP H 1.0 1.8 3.5 1494 1368 A 160 ASP H A 160 ASP HA 1.0 1.8 3.5 1495 1369 A 160 ASP HA A 160 ASP HBx 1.0 1.8 6.3 1496 1369 A 160 ASP HA A 160 ASP HBy 1.0 1.8 6.3 1497 1370 A 160 ASP H A 160 ASP HBx 1.0 1.8 3.3 1498 1370 A 160 ASP H A 160 ASP HBy 1.0 1.8 3.3 1499 1371 A 160 ASP H A 162 LEU H 1.0 1.8 4.0 1500 1372 A 160 ASP HA A 161 GLY H 1.0 1.8 3.0 1501 1373 A 161 GLY H A 160 ASP HBx 1.0 1.8 4.3 1502 1373 A 160 ASP HBy A 161 GLY H 1.0 1.8 4.3 1503 1374 A 161 GLY H A 161 GLY HA3 1.0 1.8 3.5 1504 1375 A 161 GLY H A 161 GLY HA2 1.0 1.8 3.0 1505 1376 A 162 LEU H A 161 GLY H 1.0 1.8 3.0 1506 1377 A 161 GLY HA2 A 164 GLU HBy 1.0 1.8 3.5 1507 1378 A 161 GLY HA2 A 164 GLU HBx 1.0 1.8 3.5 1508 1379 A 162 LEU HD21 A 141 PHE HE% 1.0 1.8 7.0 1509 1380 A 159 TRP HE1 A 162 LEU H 1.0 1.8 3.5 1510 1381 A 162 LEU H A 161 GLY HA2 1.0 1.8 3.5 1511 1382 A 162 LEU HA A 162 LEU H 1.0 1.8 3.5 1512 1383 A 162 LEU HA A 162 LEU HG 1.0 1.8 3.5 1513 1384 A 162 LEU HA A 162 LEU HBy 1.0 1.8 5.0 1514 1385 A 162 LEU H A 162 LEU HBy 1.0 1.8 3.0 1515 1386 A 162 LEU HA A 162 LEU HBx 1.0 1.8 5.0 1516 1387 A 162 LEU H A 162 LEU HBx 1.0 1.8 3.0 1517 1388 A 162 LEU HD11 A 162 LEU HA 1.0 1.8 5.5 1518 1389 A 162 LEU HD11 A 162 LEU H 1.0 1.8 5.0 1519 1390 A 162 LEU HD11 A 162 LEU HBy 1.0 1.8 5.0 1520 1391 A 162 LEU HD21 A 162 LEU HA 1.0 1.8 5.5 1521 1392 A 162 LEU HD21 A 162 LEU H 1.0 1.8 5.0 1522 1393 A 162 LEU H A 163 ASP H 1.0 1.8 3.0 1523 1394 A 162 LEU HA A 165 HIS HBx 1.0 1.8 4.5 1524 1395 A 138 TYR HBx A 163 ASP H 1.0 1.8 4.0 1525 1396 A 162 LEU HBy A 163 ASP H 1.0 1.8 3.0 1526 1397 A 162 LEU HBx A 163 ASP H 1.0 1.8 3.5 1527 1398 A 162 LEU HD11 A 163 ASP H 1.0 1.8 5.0 1528 1399 A 162 LEU HD21 A 163 ASP H 1.0 1.8 4.0 1529 1400 A 163 ASP H A 163 ASP HA 1.0 1.8 3.0 1530 1401 A 163 ASP H A 163 ASP HBx 1.0 1.8 3.3 1531 1401 A 163 ASP H A 163 ASP HBy 1.0 1.8 3.3 1532 1402 A 163 ASP H A 164 GLU H 1.0 1.8 2.5 1533 1403 A 163 ASP H A 164 GLU H 1.0 1.8 2.5 1534 1404 A 164 GLU H A 163 ASP HBx 1.0 1.8 3.8 1535 1404 A 163 ASP HBy A 164 GLU H 1.0 1.8 3.8 1536 1405 A 164 GLU H A 164 GLU HA 1.0 1.8 3.5 1537 1406 A 164 GLU HBy A 164 GLU H 1.0 1.8 3.5 1538 1407 A 164 GLU HBx A 164 GLU H 1.0 1.8 3.0 1539 1408 A 164 GLU H A 164 GLU HGx 1.0 1.8 4.3 1540 1408 A 164 GLU H A 164 GLU HGy 1.0 1.8 4.3 1541 1409 A 164 GLU H A 165 HIS H 1.0 1.8 2.5 1542 1410 A 162 LEU HA A 165 HIS H 1.0 1.8 3.0 1543 1411 A 165 HIS H A 165 HIS HA 1.0 1.8 3.0 1544 1412 A 165 HIS HA A 165 HIS HBy 1.0 1.8 3.0 1545 1413 A 165 HIS H A 165 HIS HBy 1.0 1.8 3.0 1546 1414 A 165 HIS HBx A 165 HIS HA 1.0 1.8 3.5 1547 1415 A 165 HIS HBx A 165 HIS H 1.0 1.8 3.0 1548 1416 A 165 HIS HA A 168 ALA HB1 1.0 1.8 4.5 1549 1417 A 163 ASP HA A 166 SER H 1.0 1.8 3.0 1550 1418 A 165 HIS HBy A 166 SER H 1.0 1.8 3.5 1551 1419 A 165 HIS HBx A 166 SER H 1.0 1.8 3.5 1552 1420 A 166 SER H A 166 SER HA 1.0 1.8 3.5 1553 1421 A 166 SER H A 166 SER HBx 1.0 1.8 3.3 1554 1421 A 166 SER HBy A 166 SER H 1.0 1.8 3.3 1555 1422 A 164 GLU HA A 167 GLN H 1.0 1.8 4.0 1556 1423 A 166 SER HA A 167 GLN H 1.0 1.8 4.0 1557 1424 A 167 GLN H A 166 SER HBx 1.0 1.8 3.3 1558 1424 A 166 SER HBy A 167 GLN H 1.0 1.8 3.3 1559 1425 A 167 GLN H A 167 GLN HA 1.0 1.8 3.0 1560 1426 A 167 GLN HA A 167 GLN HBx 1.0 1.8 6.3 1561 1426 A 167 GLN HA A 167 GLN HBy 1.0 1.8 6.3 1562 1427 A 167 GLN H A 167 GLN HBx 1.0 1.8 3.3 1563 1427 A 167 GLN H A 167 GLN HBy 1.0 1.8 3.3 1564 1428 A 167 GLN H A 167 GLN HGy 1.0 1.8 3.5 1565 1429 A 167 GLN HA A 167 GLN HGx 1.0 1.8 4.5 1566 1430 A 167 GLN H A 167 GLN HGx 1.0 1.8 3.5 1567 1431 A 165 HIS HA A 168 ALA H 1.0 1.8 3.0 1568 1432 A 167 GLN H A 168 ALA H 1.0 1.8 2.5 1569 1433 A 167 GLN HGy A 168 ALA H 1.0 1.8 3.0 1570 1434 A 167 GLN HGx A 168 ALA H 1.0 1.8 3.5 1571 1435 A 168 ALA HB1 A 168 ALA H 1.0 1.8 3.5 1572 1436 A 168 ALA H A 169 LEU H 1.0 1.8 2.5 1573 1437 A 166 SER HA A 169 LEU H 1.0 1.8 3.5 1574 1438 A 168 ALA HB1 A 169 LEU H 1.0 1.8 4.0 1575 1439 A 169 LEU H A 169 LEU HA 1.0 1.8 3.0 1576 1440 A 169 LEU HA A 169 LEU HG 1.0 1.8 5.0 1577 1441 A 169 LEU H A 169 LEU HG 1.0 1.8 3.0 1578 1442 A 169 LEU HBy A 169 LEU HA 1.0 1.8 5.0 1579 1443 A 169 LEU HBy A 169 LEU H 1.0 1.8 3.5 1580 1444 A 169 LEU HD11 A 169 LEU HBy 1.0 1.8 5.5 1581 1445 A 169 LEU HD21 A 169 LEU HBy 1.0 1.8 5.5 1582 1446 A 169 LEU H A 169 LEU HBx 1.0 1.8 3.0 1583 1447 A 169 LEU HD11 A 169 LEU HA 1.0 1.8 4.5 1584 1448 A 169 LEU HD21 A 169 LEU HA 1.0 1.8 4.5 1585 1449 A 169 LEU HD21 A 169 LEU H 1.0 1.8 4.5 1586 1450 A 169 LEU H A 170 SER H 1.0 1.8 3.0 1587 1451 A 169 LEU HA A 172 ARG HBx 1.0 1.8 4.3 1588 1451 A 169 LEU HA A 172 ARG HBy 1.0 1.8 4.3 1589 1452 A 135 ILE HB A 170 SER HA 1.0 1.8 4.0 1590 1453 A 135 ILE HB A 170 SER H 1.0 1.8 3.5 1591 1454 A 135 ILE HD11 A 170 SER HA 1.0 1.8 4.5 1592 1455 A 135 ILE HD11 A 170 SER H 1.0 1.8 5.5 1593 1456 A 135 ILE HG1x A 170 SER HA 1.0 1.8 3.0 1594 1457 A 135 ILE HG21 A 170 SER H 1.0 1.8 4.0 1595 1458 A 167 GLN HA A 170 SER H 1.0 1.8 3.0 1596 1459 A 169 LEU HBy A 170 SER H 1.0 1.8 3.5 1597 1460 A 170 SER H A 170 SER HBx 1.0 1.8 3.3 1598 1460 A 170 SER H A 170 SER HBy 1.0 1.8 3.3 1599 1461 A 170 SER H A 171 GLY H 1.0 1.8 3.0 1600 1462 A 173 LEU HD21 A 170 SER HA 1.0 1.8 4.5 1601 1463 A 171 GLY H A 168 ALA HA 1.0 1.8 3.5 1602 1464 A 171 GLY H A 171 GLY HA3 1.0 1.8 2.5 1603 1465 A 169 LEU HA A 172 ARG H 1.0 1.8 3.0 1604 1466 A 171 GLY H A 172 ARG H 1.0 1.8 2.5 1605 1467 A 171 GLY HA3 A 172 ARG H 1.0 1.8 3.0 1606 1468 A 172 ARG HA A 172 ARG HBx 1.0 1.8 4.3 1607 1468 A 172 ARG HBy A 172 ARG HA 1.0 1.8 4.3 1608 1469 A 172 ARG H A 172 ARG HBx 1.0 1.8 3.3 1609 1469 A 172 ARG HBy A 172 ARG H 1.0 1.8 3.3 1610 1470 A 172 ARG H A 172 ARG HDy 1.0 1.8 4.0 1611 1471 A 172 ARG H A 172 ARG HDx 1.0 1.8 4.0 1612 1472 A 172 ARG HA A 172 ARG HGx 1.0 1.8 4.3 1613 1472 A 172 ARG HA A 172 ARG HGy 1.0 1.8 4.3 1614 1473 A 172 ARG H A 172 ARG HGx 1.0 1.8 3.3 1615 1473 A 172 ARG H A 172 ARG HGy 1.0 1.8 3.3 1616 1474 A 172 ARG H A 173 LEU H 1.0 1.8 2.5 1617 1475 A 172 ARG HA A 175 GLU HBx 1.0 1.8 4.0 1618 1476 A 135 ILE HD11 A 173 LEU H 1.0 1.8 5.0 1619 1477 A 135 ILE HG1y A 173 LEU H 1.0 1.8 4.0 1620 1478 A 170 SER HA A 173 LEU H 1.0 1.8 3.0 1621 1479 A 173 LEU H A 172 ARG HBx 1.0 1.8 3.8 1622 1479 A 172 ARG HBy A 173 LEU H 1.0 1.8 3.8 1623 1480 A 173 LEU H A 173 LEU HA 1.0 1.8 3.0 1624 1481 A 173 LEU HA A 173 LEU HG 1.0 1.8 3.5 1625 1482 A 173 LEU H A 173 LEU HG 1.0 1.8 3.0 1626 1483 A 173 LEU HA A 173 LEU HBy 1.0 1.8 3.5 1627 1484 A 173 LEU H A 173 LEU HBy 1.0 1.8 3.5 1628 1485 A 173 LEU HBy A 173 LEU HD11 1.0 1.8 5.5 1629 1486 A 173 LEU HD21 A 173 LEU HBy 1.0 1.8 4.0 1630 1487 A 173 LEU HA A 173 LEU HBx 1.0 1.8 3.5 1631 1488 A 173 LEU H A 173 LEU HBx 1.0 1.8 3.0 1632 1489 A 173 LEU HA A 173 LEU HD11 1.0 1.8 4.0 1633 1490 A 173 LEU HD21 A 173 LEU H 1.0 1.8 4.0 1634 1491 A 173 LEU H A 174 GLY H 1.0 1.8 3.0 1635 1492 A 174 GLY H A 171 GLY HA2 1.0 1.8 3.5 1636 1493 A 173 LEU HG A 174 GLY H 1.0 1.8 3.5 1637 1494 A 173 LEU HBy A 174 GLY H 1.0 1.8 3.0 1638 1495 A 173 LEU HD21 A 174 GLY H 1.0 1.8 4.5 1639 1496 A 174 GLY H A 174 GLY HA3 1.0 1.8 3.0 1640 1497 A 174 GLY H A 174 GLY HA2 1.0 1.8 3.0 1641 1498 A 174 GLY HA2 A 177 LEU HBy 1.0 1.8 3.5 1642 1499 A 172 ARG HA A 175 GLU H 1.0 1.8 3.5 1643 1500 A 174 GLY H A 175 GLU H 1.0 1.8 2.5 1644 1501 A 174 GLY HA3 A 175 GLU H 1.0 1.8 3.0 1645 1502 A 175 GLU H A 175 GLU HA 1.0 1.8 3.0 1646 1503 A 175 GLU HBx A 175 GLU HA 1.0 1.8 3.0 1647 1504 A 175 GLU HBx A 175 GLU H 1.0 1.8 2.5 1648 1505 A 175 GLU H A 175 GLU HGx 1.0 1.8 3.3 1649 1505 A 175 GLU H A 175 GLU HGy 1.0 1.8 3.3 1650 1506 A 175 GLU H A 176 ILE H 1.0 1.8 2.5 1651 1507 A 173 LEU HA A 176 ILE HB 1.0 1.8 6.0 1652 1508 A 173 LEU HA A 176 ILE H 1.0 1.8 3.5 1653 1509 A 173 LEU HA A 176 ILE HD11 1.0 1.8 6.5 1654 1510 A 175 GLU HA A 176 ILE H 1.0 1.8 3.5 1655 1511 A 175 GLU HBx A 176 ILE H 1.0 1.8 3.5 1656 1512 A 176 ILE H A 176 ILE HA 1.0 1.8 3.5 1657 1513 A 176 ILE HB A 176 ILE HA 1.0 1.8 3.5 1658 1514 A 176 ILE H A 176 ILE HB 1.0 1.8 3.0 1659 1515 A 176 ILE HA A 176 ILE HG1y 1.0 1.8 5.0 1660 1516 A 176 ILE H A 176 ILE HG1y 1.0 1.8 3.0 1661 1517 A 176 ILE HG21 A 176 ILE HG1y 1.0 1.8 5.5 1662 1518 A 176 ILE HG21 A 176 ILE HA 1.0 1.8 4.0 1663 1519 A 176 ILE H A 177 LEU H 1.0 1.8 3.0 1664 1520 A 174 GLY HA2 A 177 LEU H 1.0 1.8 3.5 1665 1521 A 176 ILE HA A 177 LEU H 1.0 1.8 3.5 1666 1522 A 176 ILE HB A 177 LEU H 1.0 1.8 3.0 1667 1523 A 176 ILE HG21 A 177 LEU H 1.0 1.8 3.5 1668 1524 A 177 LEU H A 177 LEU HA 1.0 1.8 3.0 1669 1525 A 177 LEU HBy A 177 LEU HA 1.0 1.8 3.5 1670 1526 A 177 LEU HBy A 177 LEU H 1.0 1.8 2.5 1671 1527 A 177 LEU HBy A 177 LEU HD11 1.0 1.8 4.0 1672 1528 A 177 LEU HBx A 177 LEU HA 1.0 1.8 3.5 1673 1529 A 177 LEU HBx A 177 LEU H 1.0 1.8 3.0 1674 1530 A 177 LEU HA A 177 LEU HD11 1.0 1.8 5.5 1675 1531 A 177 LEU HA A 177 LEU HD21 1.0 1.8 5.5 1676 1532 A 177 LEU H A 177 LEU HD21 1.0 1.8 3.5 1677 1533 A 177 LEU H A 178 ARG H 1.0 1.8 2.5 1678 1534 A 175 GLU HA A 178 ARG H 1.0 1.8 2.5 1679 1535 A 177 LEU HD21 A 178 ARG H 1.0 1.8 4.0 1680 1536 A 178 ARG H A 178 ARG HBx 1.0 1.8 3.0 1681 1537 A 178 ARG H A 178 ARG HDx 1.0 1.8 4.8 1682 1537 A 178 ARG H A 178 ARG HDy 1.0 1.8 4.8 1683 1538 A 178 ARG H A 178 ARG HGx 1.0 1.8 3.3 1684 1538 A 178 ARG H A 178 ARG HGy 1.0 1.8 3.3 1685 1539 A 178 ARG H A 179 HIS H 1.0 1.8 2.5 1686 1540 A 179 HIS H A 178 ARG HA 1.0 1.8 3.5 1687 1541 A 179 HIS H A 178 ARG HDx 1.0 1.8 4.8 1688 1541 A 178 ARG HDy A 179 HIS H 1.0 1.8 4.8 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 hbond _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 25 CYS N A 79 TYR O 1.0 2.5 3.3 2 2 A 25 CYS H A 79 TYR O 1.0 1.5 2.3 3 3 A 26 TYR N A 45 GLY O 1.0 2.5 3.3 4 4 A 26 TYR H A 45 GLY O 1.0 1.5 2.3 5 5 A 27 GLU N A 77 THR O 1.0 2.5 3.3 6 6 A 27 GLU H A 77 THR O 1.0 1.5 2.3 7 7 A 29 LYS N A 75 GLU O 1.0 2.5 3.3 8 8 A 29 LYS H A 75 GLU O 1.0 1.5 2.3 9 9 A 74 TYR N A 101 HIS O 1.0 2.5 3.3 10 10 A 74 TYR H A 101 HIS O 1.0 1.5 2.3 11 11 A 75 GLU N A 29 LYS O 1.0 2.5 3.3 12 12 A 75 GLU H A 29 LYS O 1.0 1.5 2.3 13 13 A 76 VAL N A 103 THR O 1.0 2.5 3.3 14 14 A 76 VAL H A 103 THR O 1.0 1.5 2.3 15 15 A 77 THR N A 27 GLU O 1.0 2.5 3.3 16 16 A 77 THR H A 27 GLU O 1.0 1.5 2.3 17 17 A 78 TRP N A 105 THR O 1.0 2.5 3.3 18 18 A 78 TRP H A 105 THR O 1.0 1.5 2.3 19 19 A 79 TYR N A 25 CYS O 1.0 2.5 3.3 20 20 A 79 TYR H A 25 CYS O 1.0 1.5 2.3 21 21 A 80 ILE N A 107 PHE O 1.0 2.5 3.3 22 22 A 80 ILE H A 107 PHE O 1.0 1.5 2.3 23 23 A 103 THR N A 74 TYR O 1.0 2.5 3.3 24 24 A 103 THR H A 74 TYR O 1.0 1.5 2.3 25 25 A 105 THR N A 76 VAL O 1.0 2.5 3.3 26 26 A 105 THR H A 76 VAL O 1.0 1.5 2.3 27 27 A 106 ILE N A 132 THR O 1.0 2.5 3.3 28 28 A 106 ILE H A 132 THR O 1.0 1.5 2.3 29 29 A 107 PHE N A 78 TRP O 1.0 2.5 3.3 30 30 A 107 PHE H A 78 TRP O 1.0 1.5 2.3 31 31 A 108 VAL N A 134 LYS O 1.0 2.5 3.3 32 32 A 108 VAL H A 134 LYS O 1.0 1.5 2.3 33 33 A 110 ARG N A 81 SER O 1.0 2.5 3.3 34 34 A 110 ARG H A 81 SER O 1.0 1.5 2.3 35 35 A 132 THR N A 104 LEU O 1.0 2.5 3.3 36 36 A 132 THR H A 104 LEU O 1.0 1.5 2.3 37 37 A 134 LYS N A 106 ILE O 1.0 2.5 3.3 38 38 A 134 LYS H A 106 ILE O 1.0 1.5 2.3 39 39 A 136 MET N A 108 VAL O 1.0 2.5 3.3 40 40 A 136 MET H A 108 VAL O 1.0 1.5 2.3 41 41 A 88 CYS N A 84 PRO O 1.0 2.5 3.3 42 42 A 88 CYS H A 84 PRO O 1.0 1.5 2.3 43 43 A 89 ALA N A 85 CYS O 1.0 2.5 3.3 44 44 A 89 ALA H A 85 CYS O 1.0 1.5 2.3 45 45 A 90 ARG N A 86 THR O 1.0 2.5 3.3 46 46 A 90 ARG H A 86 THR O 1.0 1.5 2.3 47 47 A 91 ASP N A 87 LYS O 1.0 2.5 3.3 48 48 A 91 ASP H A 87 LYS O 1.0 1.5 2.3 49 49 A 92 MET N A 88 CYS O 1.0 2.5 3.3 50 50 A 92 MET H A 88 CYS O 1.0 1.5 2.3 51 51 A 95 PHE N A 91 ASP O 1.0 2.5 3.3 52 52 A 95 PHE H A 91 ASP O 1.0 1.5 2.3 53 53 A 96 LEU N A 92 MET O 1.0 2.5 3.3 54 54 A 96 LEU H A 92 MET O 1.0 1.5 2.3 55 55 A 124 ARG N A 120 GLN O 1.0 2.5 3.3 56 56 A 124 ARG H A 120 GLN O 1.0 1.5 2.3 57 57 A 126 LEU N A 122 ALA O 1.0 2.5 3.3 58 58 A 126 LEU H A 122 ALA O 1.0 1.5 2.3 59 59 A 128 GLN N A 124 ARG O 1.0 2.5 3.3 60 60 A 128 GLN H A 124 ARG O 1.0 1.5 2.3 61 61 A 129 ALA N A 125 SER O 1.0 2.5 3.3 62 62 A 129 ALA H A 125 SER O 1.0 1.5 2.3 63 63 A 141 PHE N A 137 ASN O 1.0 2.5 3.3 64 64 A 141 PHE H A 137 ASN O 1.0 1.5 2.3 65 65 A 168 ALA N A 164 GLU O 1.0 2.5 3.3 66 66 A 168 ALA H A 164 GLU O 1.0 1.5 2.3 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 4 ASP C A 5 THR N A 5 THR CA A 5 THR C 1.0 -80.9 -50.9 PHI 2 2 A 5 THR C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -81.2 -51.2 PHI 3 3 A 6 PHE C A 7 SER N A 7 SER CA A 7 SER C 1.0 -76.8 -46.8 PHI 4 4 A 7 SER C A 8 TYR N A 8 TYR CA A 8 TYR C 1.0 -79.5 -49.5 PHI 5 5 A 11 ASN C A 12 ASN N A 12 ASN CA A 12 ASN C 1.0 -112.3 -82.3 PHI 6 6 A 24 LEU C A 25 CYS N A 25 CYS CA A 25 CYS C 1.0 -115.7 -85.7 PHI 7 7 A 25 CYS C A 26 TYR N A 26 TYR CA A 26 TYR C 1.0 -148.5 -118.5 PHI 8 8 A 26 TYR C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -154.3 -124.3 PHI 9 9 A 28 VAL C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -131.4 -101.4 PHI 10 10 A 29 LYS C A 30 THR N A 30 THR CA A 30 THR C 1.0 -125.9 -95.9 PHI 11 11 A 33 PRO C A 34 SER N A 34 SER CA A 34 SER C 1.0 -98.6 -68.6 PHI 12 12 A 34 SER C A 35 ARG N A 35 ARG CA A 35 ARG C 1.0 -97.0 -67.0 PHI 13 13 A 37 PRO C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -99.6 -69.6 PHI 14 14 A 41 LYS C A 42 ILE N A 42 ILE CA A 42 ILE C 1.0 -121.3 -91.3 PHI 15 15 A 42 ILE C A 43 PHE N A 43 PHE CA A 43 PHE C 1.0 -135.9 -105.9 PHI 16 16 A 43 PHE C A 44 ARG N A 44 ARG CA A 44 ARG C 1.0 -133.6 -103.6 PHI 17 17 A 44 ARG C A 45 GLY N A 45 GLY CA A 45 GLY C 1.0 -147.8 -117.8 PHI 18 18 A 45 GLY C A 46 GLN N A 46 GLN CA A 46 GLN C 1.0 -150.9 -120.9 PHI 19 19 A 46 GLN C A 47 VAL N A 47 VAL CA A 47 VAL C 1.0 -134.6 -104.6 PHI 20 20 A 49 SER C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -131.7 -101.7 PHI 21 21 A 50 GLU C A 51 ASP N A 51 ASP CA A 51 ASP C 1.0 -107.2 -77.2 PHI 22 22 A 51 ASP C A 52 LYS N A 52 LYS CA A 52 LYS C 1.0 -90.0 -60.0 PHI 23 23 A 52 LYS C A 53 TYR N A 53 TYR CA A 53 TYR C 1.0 -109.2 -79.2 PHI 24 24 A 53 TYR C A 54 HIS N A 54 HIS CA A 54 HIS C 1.0 -103.2 -73.2 PHI 25 25 A 55 PRO C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -82.5 -52.5 PHI 26 26 A 56 GLU C A 57 MET N A 57 MET CA A 57 MET C 1.0 -106.5 -76.5 PHI 27 27 A 57 MET C A 58 ARG N A 58 ARG CA A 58 ARG C 1.0 -78.2 -48.2 PHI 28 28 A 58 ARG C A 59 PHE N A 59 PHE CA A 59 PHE C 1.0 -79.9 -49.9 PHI 29 29 A 59 PHE C A 60 LEU N A 60 LEU CA A 60 LEU C 1.0 -79.2 -49.2 PHI 30 30 A 60 LEU C A 61 SER N A 61 SER CA A 61 SER C 1.0 -79.1 -49.1 PHI 31 31 A 61 SER C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -81.5 -51.5 PHI 32 32 A 62 LEU C A 63 VAL N A 63 VAL CA A 63 VAL C 1.0 -81.8 -51.8 PHI 33 33 A 63 VAL C A 64 SER N A 64 SER CA A 64 SER C 1.0 -78.5 -48.5 PHI 34 34 A 65 LYS C A 66 TRP N A 66 TRP CA A 66 TRP C 1.0 -117.4 -87.4 PHI 35 35 A 69 HIS C A 70 ARG N A 70 ARG CA A 70 ARG C 1.0 -78.1 -48.1 PHI 36 36 A 70 ARG C A 71 ASP N A 71 ASP CA A 71 ASP C 1.0 -109.9 -79.9 PHI 37 37 A 72 GLN C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -132.0 -102.0 PHI 38 38 A 73 GLU C A 74 TYR N A 74 TYR CA A 74 TYR C 1.0 -137.3 -107.3 PHI 39 39 A 74 TYR C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -131.2 -101.2 PHI 40 40 A 75 GLU C A 76 VAL N A 76 VAL CA A 76 VAL C 1.0 -125.3 -95.3 PHI 41 41 A 76 VAL C A 77 THR N A 77 THR CA A 77 THR C 1.0 -124.5 -94.5 PHI 42 42 A 77 THR C A 78 TRP N A 78 TRP CA A 78 TRP C 1.0 -153.6 -123.6 PHI 43 43 A 78 TRP C A 79 TYR N A 79 TYR CA A 79 TYR C 1.0 -122.9 -92.9 PHI 44 44 A 79 TYR C A 80 ILE N A 80 ILE CA A 80 ILE C 1.0 -140.1 -110.1 PHI 45 45 A 85 CYS C A 86 THR N A 86 THR CA A 86 THR C 1.0 -82.9 -52.9 PHI 46 46 A 86 THR C A 87 LYS N A 87 LYS CA A 87 LYS C 1.0 -78.5 -48.5 PHI 47 47 A 87 LYS C A 88 CYS N A 88 CYS CA A 88 CYS C 1.0 -75.5 -45.5 PHI 48 48 A 88 CYS C A 89 ALA N A 89 ALA CA A 89 ALA C 1.0 -78.3 -48.3 PHI 49 49 A 89 ALA C A 90 ARG N A 90 ARG CA A 90 ARG C 1.0 -82.1 -52.1 PHI 50 50 A 90 ARG C A 91 ASP N A 91 ASP CA A 91 ASP C 1.0 -79.2 -49.2 PHI 51 51 A 91 ASP C A 92 MET N A 92 MET CA A 92 MET C 1.0 -80.1 -50.1 PHI 52 52 A 92 MET C A 93 ALA N A 93 ALA CA A 93 ALA C 1.0 -78.4 -48.4 PHI 53 53 A 93 ALA C A 94 THR N A 94 THR CA A 94 THR C 1.0 -81.2 -51.2 PHI 54 54 A 94 THR C A 95 PHE N A 95 PHE CA A 95 PHE C 1.0 -81.2 -51.2 PHI 55 55 A 95 PHE C A 96 LEU N A 96 LEU CA A 96 LEU C 1.0 -83.1 -53.1 PHI 56 56 A 96 LEU C A 97 GLN N A 97 GLN CA A 97 GLN C 1.0 -81.4 -51.4 PHI 57 57 A 97 GLN C A 98 GLU N A 98 GLU CA A 98 GLU C 1.0 -98.6 -68.6 PHI 58 58 A 101 HIS C A 102 VAL N A 102 VAL CA A 102 VAL C 1.0 -111.1 -81.1 PHI 59 59 A 102 VAL C A 103 THR N A 103 THR CA A 103 THR C 1.0 -137.4 -107.4 PHI 60 60 A 103 THR C A 104 LEU N A 104 LEU CA A 104 LEU C 1.0 -129.9 -99.9 PHI 61 61 A 104 LEU C A 105 THR N A 105 THR CA A 105 THR C 1.0 -119.2 -89.2 PHI 62 62 A 118 ASP C A 119 TYR N A 119 TYR CA A 119 TYR C 1.0 -80.3 -50.3 PHI 63 63 A 119 TYR C A 120 GLN N A 120 GLN CA A 120 GLN C 1.0 -76.1 -46.1 PHI 64 64 A 120 GLN C A 121 GLU N A 121 GLU CA A 121 GLU C 1.0 -78.3 -48.3 PHI 65 65 A 121 GLU C A 122 ALA N A 122 ALA CA A 122 ALA C 1.0 -78.3 -48.3 PHI 66 66 A 122 ALA C A 123 LEU N A 123 LEU CA A 123 LEU C 1.0 -80.5 -50.5 PHI 67 67 A 123 LEU C A 124 ARG N A 124 ARG CA A 124 ARG C 1.0 -78.2 -48.2 PHI 68 68 A 124 ARG C A 125 SER N A 125 SER CA A 125 SER C 1.0 -82.3 -52.3 PHI 69 69 A 125 SER C A 126 LEU N A 126 LEU CA A 126 LEU C 1.0 -82.0 -52.0 PHI 70 70 A 126 LEU C A 127 ALA N A 127 ALA CA A 127 ALA C 1.0 -78.9 -48.9 PHI 71 71 A 127 ALA C A 128 GLN N A 128 GLN CA A 128 GLN C 1.0 -80.7 -50.7 PHI 72 72 A 128 GLN C A 129 ALA N A 129 ALA CA A 129 ALA C 1.0 -96.5 -66.5 PHI 73 73 A 132 THR C A 133 ILE N A 133 ILE CA A 133 ILE C 1.0 -125.8 -95.8 PHI 74 74 A 136 MET C A 137 ASN N A 137 ASN CA A 137 ASN C 1.0 -125.7 -95.7 PHI 75 75 A 137 ASN C A 138 TYR N A 138 TYR CA A 138 TYR C 1.0 -71.8 -41.8 PHI 76 76 A 138 TYR C A 139 ASP N A 139 ASP CA A 139 ASP C 1.0 -76.9 -46.9 PHI 77 77 A 139 ASP C A 140 GLU N A 140 GLU CA A 140 GLU C 1.0 -80.6 -50.6 PHI 78 78 A 140 GLU C A 141 PHE N A 141 PHE CA A 141 PHE C 1.0 -77.6 -47.6 PHI 79 79 A 141 PHE C A 142 GLN N A 142 GLN CA A 142 GLN C 1.0 -81.2 -51.2 PHI 80 80 A 142 GLN C A 143 HIS N A 143 HIS CA A 143 HIS C 1.0 -80.4 -50.4 PHI 81 81 A 143 HIS C A 144 CYS N A 144 CYS CA A 144 CYS C 1.0 -79.7 -49.7 PHI 82 82 A 144 CYS C A 145 TRP N A 145 TRP CA A 145 TRP C 1.0 -75.8 -45.8 PHI 83 83 A 145 TRP C A 146 SER N A 146 SER CA A 146 SER C 1.0 -78.0 -48.0 PHI 84 84 A 146 SER C A 147 LYS N A 147 LYS CA A 147 LYS C 1.0 -105.6 -75.6 PHI 85 85 A 148 PHE C A 149 VAL N A 149 VAL CA A 149 VAL C 1.0 -116.7 -86.7 PHI 86 86 A 153 GLY C A 154 ALA N A 154 ALA CA A 154 ALA C 1.0 -87.0 -57.0 PHI 87 87 A 158 PRO C A 159 TRP N A 159 TRP CA A 159 TRP C 1.0 -129.8 -99.8 PHI 88 88 A 159 TRP C A 160 ASP N A 160 ASP CA A 160 ASP C 1.0 -80.8 -50.8 PHI 89 89 A 161 GLY C A 162 LEU N A 162 LEU CA A 162 LEU C 1.0 -73.3 -43.3 PHI 90 90 A 162 LEU C A 163 ASP N A 163 ASP CA A 163 ASP C 1.0 -75.9 -45.9 PHI 91 91 A 163 ASP C A 164 GLU N A 164 GLU CA A 164 GLU C 1.0 -82.0 -52.0 PHI 92 92 A 164 GLU C A 165 HIS N A 165 HIS CA A 165 HIS C 1.0 -78.0 -48.0 PHI 93 93 A 165 HIS C A 166 SER N A 166 SER CA A 166 SER C 1.0 -81.7 -51.7 PHI 94 94 A 166 SER C A 167 GLN N A 167 GLN CA A 167 GLN C 1.0 -80.1 -50.1 PHI 95 95 A 167 GLN C A 168 ALA N A 168 ALA CA A 168 ALA C 1.0 -81.6 -51.6 PHI 96 96 A 168 ALA C A 169 LEU N A 169 LEU CA A 169 LEU C 1.0 -79.0 -49.0 PHI 97 97 A 169 LEU C A 170 SER N A 170 SER CA A 170 SER C 1.0 -78.3 -48.3 PHI 98 98 A 170 SER C A 171 GLY N A 171 GLY CA A 171 GLY C 1.0 -82.7 -52.7 PHI 99 99 A 171 GLY C A 172 ARG N A 172 ARG CA A 172 ARG C 1.0 -85.9 -55.9 PHI 100 100 A 172 ARG C A 173 LEU N A 173 LEU CA A 173 LEU C 1.0 -77.5 -47.5 PHI 101 101 A 173 LEU C A 174 GLY N A 174 GLY CA A 174 GLY C 1.0 -78.4 -48.4 PHI 102 102 A 174 GLY C A 175 GLU N A 175 GLU CA A 175 GLU C 1.0 -78.9 -48.9 PHI 103 103 A 175 GLU C A 176 ILE N A 176 ILE CA A 176 ILE C 1.0 -86.7 -56.7 PHI 104 104 A 176 ILE C A 177 LEU N A 177 LEU CA A 177 LEU C 1.0 -85.4 -55.4 PHI 105 105 A 177 LEU C A 178 ARG N A 178 ARG CA A 178 ARG C 1.0 -101.4 -71.4 PHI 106 106 A 178 ARG C A 179 HIS N A 179 HIS CA A 179 HIS C 1.0 -106.7 -76.7 PHI stop_ save_