data_nef_c18816_2m0p 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 2i1p PDB 2FYJ 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 7 CYS SG 1 19 CYS SG 1 14 CYS SG 1 32 CYS SG 1 26 CYS SG 1 41 CYS SG 1 37 ASP OD2 2 1 CA CA 1 27 ASP OD1 2 1 CA CA 1 31 ASP OD2 2 1 CA CA 1 38 GLU OE2 2 1 CA CA 1 29 ASP O 2 1 CA CA 1 24 TRP O 2 1 CA CA 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 1103 THR start . . 2 A 1104 HIS middle . . 3 A 1105 ALA middle . . 4 A 1106 PRO middle . false 5 A 1107 ALA middle . . 6 A 1108 SER middle . . 7 A 1109 CYS middle -HG . 8 A 1110 LEU middle . . 9 A 1111 ASP middle . . 10 A 1112 THR middle . . 11 A 1113 GLN middle . . 12 A 1114 TYR middle . . 13 A 1115 THR middle . . 14 A 1116 CYS middle -HG . 15 A 1117 ASP middle . . 16 A 1118 ASN middle . . 17 A 1119 HIS middle . . 18 A 1120 GLN middle . . 19 A 1121 CYS middle -HG . 20 A 1122 ILE middle . . 21 A 1123 SER middle . . 22 A 1124 LYS middle . . 23 A 1125 ASN middle . . 24 A 1126 TRP middle . . 25 A 1127 VAL middle . . 26 A 1128 CYS middle -HG . 27 A 1129 ASP middle . . 28 A 1130 THR middle . . 29 A 1131 ASP middle . . 30 A 1132 ASN middle . . 31 A 1133 ASP middle . . 32 A 1134 CYS middle -HG . 33 A 1135 GLY middle . false 34 A 1136 ASP middle . . 35 A 1137 GLY middle . false 36 A 1138 SER middle . . 37 A 1139 ASP middle . . 38 A 1140 GLU middle . . 39 A 1141 LYS middle . . 40 A 1142 ASN middle . . 41 A 1143 CYS middle -HG . 42 A 1144 ASN middle . . 43 A 1145 SER middle . . 44 A 1146 THR middle . . 45 A 1147 GLU middle . . 46 A 1148 THR middle . . 47 A 1149 HIS middle . . 48 A 1150 HIS middle . . 49 A 1151 HIS middle . . 50 A 1152 HIS middle . . 51 A 1153 HIS middle . . 52 A 1154 HIS end . . 53 B 1 CA . . . 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 1103 THR HA H 1 3.883 0.003 A 1103 THR HB H 1 4.144 0.022 A 1103 THR HG2% H 1 1.276 0.024 A 1103 THR CA C 13 61.234 0.014 A 1103 THR CB C 13 69.103 0.043 A 1103 THR CG2 C 13 20.852 0.000 A 1104 HIS HA H 1 4.650 0.008 A 1104 HIS HB2 H 1 3.103 0.035 A 1104 HIS HB3 H 1 3.178 0.027 A 1104 HIS HD2 H 1 7.153 0.014 A 1104 HIS CA C 13 55.840 0.030 A 1104 HIS CB C 13 30.489 0.076 A 1104 HIS CD2 C 13 119.657 0.000 A 1105 ALA H H 1 8.461 0.004 A 1105 ALA HA H 1 4.592 0.007 A 1105 ALA HB% H 1 1.341 0.009 A 1105 ALA C C 13 175.151 0.000 A 1105 ALA CA C 13 50.538 0.033 A 1105 ALA CB C 13 18.262 0.043 A 1105 ALA N N 15 127.611 0.007 A 1106 PRO HA H 1 4.416 0.015 A 1106 PRO HB2 H 1 2.258 0.012 A 1106 PRO HB3 H 1 1.898 0.010 A 1106 PRO HD2 H 1 3.601 0.012 A 1106 PRO HD3 H 1 3.736 0.022 A 1106 PRO HG2 H 1 1.938 0.024 A 1106 PRO HG3 H 1 1.950 0.014 A 1106 PRO C C 13 176.392 0.000 A 1106 PRO CA C 13 62.876 0.026 A 1106 PRO CB C 13 32.106 0.011 A 1106 PRO CD C 13 50.426 0.030 A 1106 PRO CG C 13 27.380 0.023 A 1107 ALA H H 1 8.423 0.003 A 1107 ALA HA H 1 4.327 0.012 A 1107 ALA HB% H 1 1.400 0.011 A 1107 ALA C C 13 177.560 0.032 A 1107 ALA CA C 13 52.423 0.044 A 1107 ALA CB C 13 19.425 0.035 A 1107 ALA N N 15 124.531 0.061 A 1108 SER H H 1 8.245 0.003 A 1108 SER HA H 1 4.482 0.011 A 1108 SER HB2 H 1 3.832 0.009 A 1108 SER HB3 H 1 3.878 0.022 A 1108 SER C C 13 174.219 0.020 A 1108 SER CA C 13 58.308 0.025 A 1108 SER CB C 13 64.274 0.037 A 1108 SER N N 15 115.092 0.013 A 1109 CYS H H 1 8.456 0.004 A 1109 CYS HA H 1 4.911 0.009 A 1109 CYS HB2 H 1 2.535 0.005 A 1109 CYS HB3 H 1 3.136 0.009 A 1109 CYS C C 13 175.594 0.010 A 1109 CYS CA C 13 52.983 0.022 A 1109 CYS CB C 13 36.292 0.017 A 1109 CYS N N 15 120.100 0.055 A 1110 LEU H H 1 8.382 0.003 A 1110 LEU HA H 1 4.425 0.007 A 1110 LEU HB2 H 1 1.476 0.010 A 1110 LEU HB3 H 1 1.691 0.009 A 1110 LEU HD1% H 1 0.851 0.011 A 1110 LEU HD2% H 1 0.907 0.011 A 1110 LEU HG H 1 1.694 0.006 A 1110 LEU C C 13 178.738 0.006 A 1110 LEU CA C 13 54.912 0.023 A 1110 LEU CB C 13 43.342 0.016 A 1110 LEU CD1 C 13 25.261 0.099 A 1110 LEU CD2 C 13 21.980 0.129 A 1110 LEU CG C 13 27.240 0.024 A 1110 LEU N N 15 120.840 0.018 A 1111 ASP H H 1 8.846 0.004 A 1111 ASP HA H 1 4.457 0.009 A 1111 ASP HB2 H 1 2.772 0.010 A 1111 ASP HB3 H 1 2.776 0.006 A 1111 ASP C C 13 176.752 0.001 A 1111 ASP CA C 13 56.796 0.028 A 1111 ASP CB C 13 40.257 0.016 A 1111 ASP N N 15 119.941 0.009 A 1112 THR H H 1 7.033 0.004 A 1112 THR HA H 1 4.279 0.008 A 1112 THR HB H 1 4.531 0.005 A 1112 THR HG2% H 1 1.256 0.006 A 1112 THR C C 13 174.706 0.029 A 1112 THR CA C 13 61.133 0.017 A 1112 THR CB C 13 68.731 0.014 A 1112 THR CG2 C 13 22.203 0.113 A 1112 THR N N 15 104.756 0.098 A 1113 GLN H H 1 7.884 0.004 A 1113 GLN HA H 1 4.768 0.011 A 1113 GLN HB2 H 1 1.875 0.008 A 1113 GLN HB3 H 1 2.298 0.021 A 1113 GLN HE21 H 1 7.678 0.002 A 1113 GLN HE22 H 1 6.660 0.003 A 1113 GLN HG2 H 1 2.207 0.010 A 1113 GLN HG3 H 1 2.007 0.008 A 1113 GLN C C 13 174.007 0.001 A 1113 GLN CA C 13 54.747 0.109 A 1113 GLN CB C 13 32.110 0.004 A 1113 GLN CG C 13 34.499 0.007 A 1113 GLN N N 15 120.554 0.028 A 1113 GLN NE2 N 15 113.116 0.006 A 1114 TYR H H 1 9.264 0.004 A 1114 TYR HA H 1 4.626 0.010 A 1114 TYR HB2 H 1 2.570 0.011 A 1114 TYR HB3 H 1 2.640 0.010 A 1114 TYR HD1 H 1 6.971 0.009 A 1114 TYR HD2 H 1 6.971 0.009 A 1114 TYR HE1 H 1 6.759 0.014 A 1114 TYR HE2 H 1 6.759 0.014 A 1114 TYR C C 13 174.084 0.032 A 1114 TYR CA C 13 56.671 0.015 A 1114 TYR CB C 13 41.321 0.018 A 1114 TYR CD1 C 13 133.406 0.000 A 1114 TYR CD2 C 13 133.406 0.000 A 1114 TYR CE1 C 13 118.533 0.000 A 1114 TYR CE2 C 13 118.533 0.000 A 1114 TYR N N 15 122.637 0.042 A 1115 THR H H 1 7.521 0.003 A 1115 THR HA H 1 4.623 0.009 A 1115 THR HB H 1 3.767 0.009 A 1115 THR HG2% H 1 1.125 0.009 A 1115 THR C C 13 173.489 0.037 A 1115 THR CA C 13 61.609 0.016 A 1115 THR CB C 13 68.719 0.094 A 1115 THR CG2 C 13 20.645 0.030 A 1115 THR N N 15 123.073 0.050 A 1116 CYS H H 1 8.809 0.005 A 1116 CYS HA H 1 4.500 0.017 A 1116 CYS HB2 H 1 3.042 0.008 A 1116 CYS HB3 H 1 3.371 0.013 A 1116 CYS C C 13 176.457 0.025 A 1116 CYS CA C 13 55.624 0.024 A 1116 CYS CB C 13 42.336 0.039 A 1116 CYS N N 15 127.037 0.037 A 1117 ASP H H 1 9.567 0.003 A 1117 ASP HA H 1 4.275 0.007 A 1117 ASP HB2 H 1 3.035 0.008 A 1117 ASP HB3 H 1 2.619 0.011 A 1117 ASP C C 13 176.938 0.012 A 1117 ASP CA C 13 57.876 0.019 A 1117 ASP CB C 13 38.830 0.026 A 1117 ASP N N 15 127.060 0.028 A 1118 ASN H H 1 7.429 0.009 A 1118 ASN HA H 1 4.381 0.010 A 1118 ASN HB2 H 1 3.282 0.007 A 1118 ASN HB3 H 1 2.766 0.011 A 1118 ASN HD21 H 1 6.868 0.004 A 1118 ASN HD22 H 1 7.518 0.002 A 1118 ASN CA C 13 52.475 0.030 A 1118 ASN CB C 13 36.911 0.006 A 1118 ASN N N 15 115.951 0.035 A 1118 ASN ND2 N 15 106.131 0.031 A 1119 HIS H H 1 7.996 0.007 A 1119 HIS HA H 1 3.833 0.022 A 1119 HIS HB2 H 1 3.721 0.020 A 1119 HIS HB3 H 1 3.419 0.024 A 1119 HIS HD2 H 1 7.211 0.010 A 1119 HIS CA C 13 58.201 0.050 A 1119 HIS CB C 13 26.103 0.057 A 1119 HIS N N 15 109.912 0.025 A 1120 GLN H H 1 7.687 0.005 A 1120 GLN HA H 1 4.335 0.008 A 1120 GLN HB2 H 1 2.279 0.016 A 1120 GLN HB3 H 1 2.231 0.004 A 1120 GLN HG2 H 1 2.471 0.006 A 1120 GLN HG3 H 1 2.312 0.009 A 1120 GLN C C 13 173.997 0.013 A 1120 GLN CA C 13 56.820 0.024 A 1120 GLN CB C 13 29.379 0.040 A 1120 GLN CG C 13 34.447 0.015 A 1120 GLN N N 15 118.131 0.009 A 1121 CYS H H 1 8.522 0.003 A 1121 CYS HA H 1 5.648 0.011 A 1121 CYS HB2 H 1 2.722 0.013 A 1121 CYS HB3 H 1 2.658 0.009 A 1121 CYS C C 13 175.751 0.005 A 1121 CYS CA C 13 53.116 0.052 A 1121 CYS CB C 13 40.916 0.036 A 1121 CYS N N 15 119.904 0.018 A 1122 ILE H H 1 8.662 0.004 A 1122 ILE HA H 1 4.917 0.012 A 1122 ILE HB H 1 2.159 0.012 A 1122 ILE HD1% H 1 1.075 0.005 A 1122 ILE HG12 H 1 1.537 0.010 A 1122 ILE HG13 H 1 1.255 0.013 A 1122 ILE HG2% H 1 0.999 0.015 A 1122 ILE C C 13 174.986 0.000 A 1122 ILE CA C 13 58.928 0.040 A 1122 ILE CB C 13 44.320 0.030 A 1122 ILE CD1 C 13 17.048 0.016 A 1122 ILE CG1 C 13 25.970 0.015 A 1122 ILE CG2 C 13 17.058 0.032 A 1122 ILE N N 15 115.211 0.009 A 1123 SER H H 1 6.874 0.005 A 1123 SER HA H 1 4.103 0.010 A 1123 SER HB2 H 1 2.209 0.006 A 1123 SER HB3 H 1 3.021 0.012 A 1123 SER C C 13 176.715 0.000 A 1123 SER CA C 13 58.375 0.021 A 1123 SER CB C 13 62.435 0.016 A 1123 SER N N 15 114.626 0.013 A 1124 LYS H H 1 8.459 0.004 A 1124 LYS HA H 1 3.926 0.009 A 1124 LYS HB2 H 1 1.823 0.005 A 1124 LYS HB3 H 1 1.716 0.007 A 1124 LYS HD3 H 1 1.640 0.007 A 1124 LYS HE3 H 1 2.940 0.008 A 1124 LYS HG3 H 1 1.380 0.007 A 1124 LYS C C 13 178.090 0.008 A 1124 LYS CA C 13 59.936 0.028 A 1124 LYS CB C 13 32.436 0.019 A 1124 LYS CD C 13 29.542 0.015 A 1124 LYS CE C 13 41.889 0.041 A 1124 LYS CG C 13 26.889 0.038 A 1124 LYS N N 15 126.059 0.040 A 1125 ASN H H 1 8.161 0.005 A 1125 ASN HA H 1 4.534 0.015 A 1125 ASN HB2 H 1 2.785 0.010 A 1125 ASN HB3 H 1 2.470 0.010 A 1125 ASN HD21 H 1 7.455 0.004 A 1125 ASN HD22 H 1 6.903 0.003 A 1125 ASN C C 13 175.454 0.031 A 1125 ASN CA C 13 54.686 0.039 A 1125 ASN CB C 13 37.288 0.018 A 1125 ASN N N 15 115.331 0.011 A 1125 ASN ND2 N 15 112.912 0.005 A 1126 TRP H H 1 7.503 0.004 A 1126 TRP HA H 1 5.284 0.011 A 1126 TRP HB2 H 1 3.196 0.010 A 1126 TRP HB3 H 1 3.898 0.008 A 1126 TRP HD1 H 1 6.798 0.008 A 1126 TRP HE1 H 1 10.093 0.000 A 1126 TRP HE3 H 1 7.445 0.008 A 1126 TRP HH2 H 1 7.313 0.004 A 1126 TRP HZ2 H 1 7.540 0.002 A 1126 TRP HZ3 H 1 7.276 0.007 A 1126 TRP C C 13 176.723 0.017 A 1126 TRP CA C 13 53.788 0.024 A 1126 TRP CB C 13 28.746 0.012 A 1126 TRP CD1 C 13 123.964 0.000 A 1126 TRP CE3 C 13 120.697 0.000 A 1126 TRP CH2 C 13 124.961 0.000 A 1126 TRP CZ2 C 13 114.947 0.000 A 1126 TRP CZ3 C 13 121.291 0.000 A 1126 TRP N N 15 117.835 0.040 A 1126 TRP NE1 N 15 127.761 0.013 A 1127 VAL H H 1 7.380 0.005 A 1127 VAL HA H 1 3.838 0.012 A 1127 VAL HB H 1 1.954 0.007 A 1127 VAL HG1% H 1 0.401 0.009 A 1127 VAL HG2% H 1 0.771 0.008 A 1127 VAL C C 13 174.870 0.025 A 1127 VAL CA C 13 63.386 0.014 A 1127 VAL CB C 13 32.070 0.017 A 1127 VAL CG1 C 13 22.985 0.048 A 1127 VAL CG2 C 13 21.309 0.002 A 1127 VAL N N 15 127.153 0.046 A 1128 CYS H H 1 8.840 0.007 A 1128 CYS HA H 1 5.069 0.010 A 1128 CYS HB2 H 1 3.298 0.007 A 1128 CYS HB3 H 1 3.022 0.007 A 1128 CYS C C 13 175.244 0.000 A 1128 CYS CA C 13 56.119 0.077 A 1128 CYS CB C 13 36.015 0.032 A 1128 CYS N N 15 124.949 0.046 A 1129 ASP H H 1 9.848 0.005 A 1129 ASP HA H 1 4.965 0.010 A 1129 ASP HB2 H 1 2.410 0.014 A 1129 ASP HB3 H 1 3.152 0.010 A 1129 ASP C C 13 178.638 0.007 A 1129 ASP CA C 13 52.274 0.031 A 1129 ASP CB C 13 41.666 0.040 A 1129 ASP N N 15 121.872 0.093 A 1130 THR H H 1 9.281 0.005 A 1130 THR HA H 1 3.815 0.012 A 1130 THR HB H 1 4.470 0.008 A 1130 THR HG2% H 1 1.124 0.009 A 1130 THR C C 13 173.298 0.018 A 1130 THR CA C 13 66.536 0.035 A 1130 THR CB C 13 69.241 0.055 A 1130 THR CG2 C 13 21.571 0.046 A 1130 THR N N 15 115.135 0.094 A 1131 ASP H H 1 7.722 0.004 A 1131 ASP HA H 1 4.893 0.011 A 1131 ASP HB2 H 1 2.698 0.021 A 1131 ASP HB3 H 1 2.488 0.012 A 1131 ASP CA C 13 53.358 0.045 A 1131 ASP CB C 13 41.907 0.008 A 1131 ASP N N 15 122.063 0.086 A 1132 ASN C C 13 173.893 0.031 A 1132 ASN CA C 13 55.916 0.029 A 1132 ASN CB C 13 30.055 0.001 A 1133 ASP H H 1 8.180 0.005 A 1133 ASP HA H 1 4.759 0.004 A 1133 ASP HB2 H 1 2.883 0.003 A 1133 ASP C C 13 179.122 0.000 A 1133 ASP CA C 13 56.507 0.000 A 1133 ASP CB C 13 43.640 0.001 A 1133 ASP N N 15 125.235 0.087 A 1134 CYS HA H 1 4.559 0.013 A 1134 CYS HB3 H 1 3.246 0.006 A 1134 CYS CA C 13 58.079 0.000 A 1134 CYS CB C 13 43.039 0.000 A 1135 GLY HA2 H 1 4.029 0.007 A 1135 GLY HA3 H 1 4.029 0.007 A 1135 GLY CA C 13 45.517 0.048 A 1136 ASP HA H 1 4.791 0.006 A 1136 ASP HB2 H 1 2.639 0.010 A 1136 ASP HB3 H 1 3.262 0.007 A 1136 ASP C C 13 177.992 0.000 A 1136 ASP CA C 13 52.394 0.029 A 1136 ASP CB C 13 41.085 0.021 A 1137 GLY H H 1 8.374 0.008 A 1137 GLY HA2 H 1 3.540 0.007 A 1137 GLY HA3 H 1 4.148 0.007 A 1137 GLY C C 13 177.370 0.000 A 1137 GLY CA C 13 45.731 0.011 A 1137 GLY N N 15 107.072 0.040 A 1138 SER H H 1 9.034 0.005 A 1138 SER HA H 1 4.092 0.014 A 1138 SER HB2 H 1 4.289 0.008 A 1138 SER HB3 H 1 3.930 0.007 A 1138 SER C C 13 175.426 0.000 A 1138 SER CA C 13 62.477 0.027 A 1138 SER CB C 13 62.584 0.007 A 1138 SER N N 15 117.237 0.006 A 1139 ASP H H 1 10.259 0.009 A 1139 ASP HA H 1 4.347 0.006 A 1139 ASP HB2 H 1 2.675 0.008 A 1139 ASP HB3 H 1 3.083 0.014 A 1139 ASP C C 13 174.930 0.005 A 1139 ASP CA C 13 54.283 0.025 A 1139 ASP CB C 13 40.231 0.018 A 1139 ASP N N 15 117.265 0.004 A 1140 GLU H H 1 7.710 0.004 A 1140 GLU HA H 1 4.782 0.011 A 1140 GLU HB2 H 1 1.513 0.008 A 1140 GLU HB3 H 1 2.482 0.008 A 1140 GLU HG2 H 1 2.006 0.008 A 1140 GLU HG3 H 1 1.936 0.008 A 1140 GLU C C 13 175.917 0.000 A 1140 GLU CA C 13 54.159 0.026 A 1140 GLU CB C 13 29.773 0.036 A 1140 GLU CG C 13 36.217 0.020 A 1140 GLU N N 15 118.160 0.022 A 1141 LYS H H 1 7.102 0.004 A 1141 LYS HA H 1 4.418 0.009 A 1141 LYS HB2 H 1 1.769 0.012 A 1141 LYS HB3 H 1 1.877 0.006 A 1141 LYS HD3 H 1 1.706 0.006 A 1141 LYS HE2 H 1 3.064 0.008 A 1141 LYS HE3 H 1 3.001 0.005 A 1141 LYS HG2 H 1 1.549 0.008 A 1141 LYS HG3 H 1 1.384 0.008 A 1141 LYS C C 13 175.721 0.008 A 1141 LYS CA C 13 56.584 0.030 A 1141 LYS CB C 13 34.112 0.014 A 1141 LYS CD C 13 29.694 0.008 A 1141 LYS CE C 13 41.728 0.016 A 1141 LYS CG C 13 24.011 0.032 A 1141 LYS N N 15 119.658 0.035 A 1142 ASN H H 1 8.773 0.003 A 1142 ASN HA H 1 4.836 0.014 A 1142 ASN HB2 H 1 2.740 0.010 A 1142 ASN HB3 H 1 2.962 0.007 A 1142 ASN HD21 H 1 7.722 0.003 A 1142 ASN HD22 H 1 6.991 0.003 A 1142 ASN C C 13 175.050 0.021 A 1142 ASN CA C 13 53.193 0.061 A 1142 ASN CB C 13 38.037 0.025 A 1142 ASN N N 15 119.864 0.019 A 1142 ASN ND2 N 15 113.516 0.135 A 1143 CYS H H 1 8.241 0.008 A 1143 CYS HA H 1 4.787 0.008 A 1143 CYS HB2 H 1 3.176 0.016 A 1143 CYS HB3 H 1 2.694 0.007 A 1143 CYS C C 13 175.168 0.000 A 1143 CYS CA C 13 54.796 0.024 A 1143 CYS CB C 13 39.615 0.023 A 1143 CYS N N 15 118.088 0.009 A 1144 ASN H H 1 8.684 0.003 A 1144 ASN HA H 1 4.674 0.016 A 1144 ASN HB2 H 1 2.761 0.008 A 1144 ASN HB3 H 1 2.704 0.005 A 1144 ASN C C 13 176.421 0.038 A 1144 ASN CA C 13 54.581 0.030 A 1144 ASN CB C 13 41.185 0.032 A 1144 ASN N N 15 121.994 0.030 A 1145 SER H H 1 8.353 0.003 A 1145 SER HA H 1 4.525 0.013 A 1145 SER HB2 H 1 3.979 0.009 A 1145 SER HB3 H 1 3.894 0.020 A 1145 SER C C 13 175.093 0.029 A 1145 SER CA C 13 58.575 0.042 A 1145 SER CB C 13 63.738 0.043 A 1145 SER N N 15 116.404 0.013 A 1146 THR H H 1 8.276 0.004 A 1146 THR HA H 1 4.333 0.011 A 1146 THR HB H 1 4.286 0.005 A 1146 THR HG2% H 1 1.229 0.008 A 1146 THR C C 13 174.874 0.016 A 1146 THR CA C 13 62.525 0.026 A 1146 THR CB C 13 69.642 0.026 A 1146 THR CG2 C 13 21.646 0.110 A 1146 THR N N 15 115.633 0.008 A 1147 GLU H H 1 8.329 0.003 A 1147 GLU HA H 1 4.360 0.014 A 1147 GLU HB2 H 1 2.067 0.010 A 1147 GLU HB3 H 1 1.963 0.013 A 1147 GLU HG2 H 1 2.283 0.012 A 1147 GLU HG3 H 1 2.268 0.008 A 1147 GLU C C 13 176.620 0.005 A 1147 GLU CA C 13 56.787 0.020 A 1147 GLU CB C 13 30.255 0.037 A 1147 GLU CG C 13 36.160 0.014 A 1147 GLU N N 15 122.512 0.030 A 1148 THR H H 1 8.055 0.003 A 1148 THR HA H 1 4.247 0.009 A 1148 THR HB H 1 4.121 0.007 A 1148 THR HG2% H 1 1.122 0.004 A 1148 THR CA C 13 62.238 0.017 A 1148 THR CB C 13 69.705 0.021 A 1148 THR CG2 C 13 21.393 0.079 A 1148 THR N N 15 114.475 0.012 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 1114 TYR HE2 A 1127 VAL HG2% 1.0 1.897 4.287 2 1 A 1127 VAL HG2% A 1114 TYR HE1 1.0 1.897 4.287 3 2 A 1114 TYR HA A 1114 TYR HD1 1.0 1.779 3.559 4 2 A 1114 TYR HD2 A 1114 TYR HA 1.0 1.779 3.559 5 3 A 1127 VAL HG2% A 1114 TYR HD2 1.0 1.805 3.697 6 3 A 1127 VAL HG2% A 1114 TYR HD1 1.0 1.805 3.697 7 4 A 1114 TYR HD1 A 1122 ILE HG12 1.0 1.827 3.825 8 4 A 1114 TYR HD2 A 1122 ILE HG12 1.0 1.827 3.825 9 5 A 1114 TYR HD1 A 1114 TYR HB2 1.0 1.752 3.434 10 5 A 1114 TYR HD2 A 1114 TYR HB2 1.0 1.752 3.434 11 6 A 1114 TYR HD1 A 1114 TYR HB3 1.0 1.737 3.361 12 6 A 1114 TYR HD2 A 1114 TYR HB3 1.0 1.737 3.361 13 7 A 1114 TYR HE1 A 1116 CYS HA 1.0 1.716 3.270 14 7 A 1114 TYR HE2 A 1116 CYS HA 1.0 1.716 3.270 15 8 A 1114 TYR HE1 A 1139 ASP HA 1.0 1.741 3.383 16 8 A 1114 TYR HE2 A 1139 ASP HA 1.0 1.741 3.383 17 9 A 1114 TYR HE2 A 1127 VAL HG1% 1.0 1.909 4.385 18 9 A 1114 TYR HE1 A 1127 VAL HG1% 1.0 1.909 4.385 19 10 A 1126 TRP HD1 A 1126 TRP HA 1.0 1.734 3.346 20 11 A 1114 TYR HD1 A 1122 ILE HG13 1.0 1.903 4.333 21 11 A 1114 TYR HD2 A 1122 ILE HG13 1.0 1.903 4.333 22 12 A 1114 TYR HD2 A 1122 ILE HG2% 1.0 1.945 4.729 23 12 A 1114 TYR HD1 A 1122 ILE HG2% 1.0 1.945 4.729 24 13 A 1114 TYR HD1 A 1124 LYS HG3 1.0 1.937 4.645 25 13 A 1114 TYR HD2 A 1124 LYS HG3 1.0 1.937 4.645 26 14 A 1126 TRP HD1 A 1126 TRP HB2 1.0 1.899 4.307 27 15 A 1126 TRP HD1 A 1125 ASN HB3 1.0 1.901 4.317 28 16 A 1126 TRP HD1 A 1126 TRP HB3 1.0 1.919 4.465 29 17 A 1114 TYR HD1 A 1116 CYS HA 1.0 1.929 4.557 30 17 A 1114 TYR HD2 A 1116 CYS HA 1.0 1.929 4.557 31 18 A 1114 TYR HD1 A 1139 ASP HA 1.0 1.924 4.512 32 18 A 1114 TYR HD2 A 1139 ASP HA 1.0 1.924 4.512 33 19 A 1104 HIS HD2 A 1104 HIS HB3 1.0 1.883 4.179 34 20 A 1114 TYR HE1 A 1139 ASP HB2 1.0 1.860 4.020 35 20 A 1114 TYR HE2 A 1139 ASP HB2 1.0 1.860 4.020 36 21 A 1126 TRP HD1 A 1125 ASN HB2 1.0 1.889 4.223 37 22 A 1119 HIS HD2 A 1119 HIS HA 1.0 1.930 4.566 38 23 A 1122 ILE HG2% A 1126 TRP HZ3 1.0 1.958 4.884 39 24 A 1126 TRP HD1 A 1123 SER HB2 1.0 1.895 4.265 40 25 A 1126 TRP HZ3 A 1126 TRP HE3 1.0 1.747 3.405 41 26 A 1126 TRP HZ3 A 1133 ASP HBy 1.0 1.985 5.321 42 27 A 1105 ALA HA A 1105 ALA HB% 1.0 1.666 3.064 43 28 A 1106 PRO HA A 1106 PRO HB3 1.0 1.604 2.834 44 29 A 1106 PRO HA A 1106 PRO HB2 1.0 1.702 3.210 45 30 A 1106 PRO HA A 1106 PRO HG2 1.0 1.925 4.517 46 31 A 1106 PRO HG2 A 1106 PRO HD3 1.0 1.695 3.183 47 32 A 1106 PRO HG2 A 1106 PRO HD2 1.0 1.739 3.371 48 33 A 1106 PRO HB3 A 1106 PRO HB2 1.0 1.468 2.408 49 34 A 1106 PRO HD2 A 1106 PRO HG3 1.0 1.691 3.165 50 35 A 1106 PRO HD3 A 1106 PRO HG3 1.0 1.688 3.152 51 36 A 1107 ALA HA A 1107 ALA HB% 1.0 1.607 2.845 52 37 A 1110 LEU HB2 A 1110 LEU HB3 1.0 1.439 2.325 53 38 A 1110 LEU HG A 1110 LEU HA 1.0 1.795 3.641 54 39 A 1110 LEU HB2 A 1110 LEU HG 1.0 1.565 2.703 55 40 A 1110 LEU HB2 A 1110 LEU HA 1.0 1.696 3.184 56 41 A 1110 LEU HA A 1110 LEU HD1% 1.0 1.503 2.509 57 42 A 1110 LEU HB2 A 1110 LEU HD2% 1.0 1.573 2.733 58 43 A 1110 LEU HG A 1110 LEU HD2% 1.0 1.467 2.405 59 44 A 1110 LEU HG A 1110 LEU HD1% 1.0 1.451 2.359 60 45 A 1112 THR HA A 1112 THR HG2% 1.0 1.517 2.553 61 46 A 1113 GLN HA A 1113 GLN HB3 1.0 1.683 3.129 62 47 A 1113 GLN HB3 A 1113 GLN HG2 1.0 1.673 3.095 63 48 A 1113 GLN HA A 1113 GLN HG3 1.0 1.652 3.010 64 49 A 1113 GLN HG2 A 1113 GLN HG3 1.0 1.525 2.575 65 50 A 1113 GLN HB3 A 1113 GLN HB2 1.0 1.501 2.503 66 51 A 1114 TYR HA A 1114 TYR HB3 1.0 1.616 2.880 67 52 A 1114 TYR HA A 1114 TYR HB2 1.0 1.744 3.394 68 53 A 1115 THR HB A 1115 THR HA 1.0 1.821 3.783 69 54 A 1115 THR HA A 1115 THR HG2% 1.0 1.544 2.636 70 55 A 1116 CYS HA A 1116 CYS HB3 1.0 1.766 3.496 71 56 A 1116 CYS HA A 1116 CYS HB2 1.0 1.755 3.445 72 57 A 1117 ASP HB2 A 1117 ASP HB3 1.0 1.471 2.415 73 58 A 1117 ASP HB3 A 1117 ASP HA 1.0 1.630 2.932 74 59 A 1117 ASP HB2 A 1117 ASP HA 1.0 1.698 3.192 75 60 A 1118 ASN HB3 A 1118 ASN HA 1.0 1.716 3.270 76 61 A 1118 ASN HA A 1118 ASN HB2 1.0 1.599 2.821 77 62 A 1119 HIS HA A 1119 HIS HB2 1.0 1.546 2.642 78 63 A 1119 HIS HB2 A 1119 HIS HB3 1.0 1.452 2.360 79 64 A 1120 GLN HB2 A 1120 GLN HG3 1.0 1.676 3.104 80 65 A 1120 GLN HB2 A 1120 GLN HA 1.0 1.813 3.737 81 66 A 1121 CYS HA A 1121 CYS HB2 1.0 1.641 2.967 82 67 A 1121 CYS HA A 1121 CYS HB3 1.0 1.766 3.500 83 68 A 1122 ILE HA A 1122 ILE HB 1.0 1.554 2.670 84 69 A 1122 ILE HG12 A 1122 ILE HA 1.0 1.904 4.340 85 70 A 1122 ILE HG2% A 1122 ILE HA 1.0 1.558 2.682 86 71 A 1122 ILE HG13 A 1122 ILE HB 1.0 1.801 3.675 87 72 A 1122 ILE HG13 A 1122 ILE HD1% 1.0 1.570 2.722 88 73 A 1122 ILE HG2% A 1122 ILE HB 1.0 1.563 2.699 89 74 A 1122 ILE HB A 1122 ILE HD1% 1.0 1.618 2.886 90 75 A 1122 ILE HG12 A 1122 ILE HG13 1.0 1.595 2.807 91 76 A 1122 ILE HG12 A 1122 ILE HB 1.0 1.842 3.910 92 77 A 1122 ILE HG12 A 1122 ILE HG2% 1.0 1.712 3.254 93 78 A 1123 SER HA A 1123 SER HB3 1.0 1.652 3.010 94 79 A 1123 SER HB2 A 1123 SER HA 1.0 1.778 3.552 95 80 A 1123 SER HB2 A 1123 SER HB3 1.0 1.461 2.387 96 81 A 1124 LYS HB3 A 1124 LYS HA 1.0 1.766 3.500 97 82 A 1124 LYS HG3 A 1124 LYS HA 1.0 1.651 3.007 98 83 A 1124 LYS HG3 A 1124 LYS HEx 1.0 1.645 2.985 99 84 A 1124 LYS HEx A 1124 LYS HD3 1.0 1.603 2.831 100 85 A 1124 LYS HA A 1124 LYS HB2 1.0 1.629 2.927 101 86 A 1125 ASN HB3 A 1125 ASN HA 1.0 1.710 3.246 102 87 A 1125 ASN HB3 A 1125 ASN HB2 1.0 1.462 2.388 103 88 A 1125 ASN HB2 A 1125 ASN HA 1.0 1.691 3.165 104 89 A 1126 TRP HA A 1126 TRP HB2 1.0 1.736 3.354 105 90 A 1126 TRP HB2 A 1126 TRP HB3 1.0 1.539 2.619 106 91 A 1126 TRP HA A 1126 TRP HB3 1.0 1.702 3.214 107 92 A 1127 VAL HB A 1127 VAL HA 1.0 1.812 3.734 108 93 A 1127 VAL HG2% A 1127 VAL HG1% 1.0 1.479 2.437 109 94 A 1129 ASP HA A 1129 ASP HB2 1.0 1.569 2.717 110 95 A 1129 ASP HA A 1129 ASP HB3 1.0 1.594 2.804 111 96 A 1129 ASP HB2 A 1129 ASP HB3 1.0 1.523 2.571 112 97 A 1130 THR HA A 1130 THR HB 1.0 1.494 2.480 113 98 A 1130 THR HA A 1130 THR HG2% 1.0 1.444 2.338 114 99 A 1130 THR HB A 1130 THR HG2% 1.0 1.518 2.554 115 100 A 1131 ASP HA A 1131 ASP HB3 1.0 1.690 3.160 116 101 A 1131 ASP HA A 1131 ASP HB2 1.0 1.722 3.296 117 102 A 1131 ASP HB3 A 1131 ASP HB2 1.0 1.459 2.379 118 103 A 1108 SER HA A 1108 SER HB3 1.0 1.514 2.544 119 104 A 1109 CYS HB3 A 1109 CYS HA 1.0 1.681 3.125 120 105 A 1109 CYS HA A 1109 CYS HB2 1.0 1.679 3.117 121 106 A 1109 CYS HB3 A 1109 CYS HB2 1.0 1.482 2.446 122 107 A 1113 GLN HA A 1113 GLN HG2 1.0 1.732 3.340 123 108 A 1140 GLU HA A 1140 GLU HB3 1.0 1.685 3.139 124 109 A 1140 GLU HA A 1140 GLU HB2 1.0 1.737 3.363 125 110 A 1140 GLU HB3 A 1140 GLU HB2 1.0 1.617 2.881 126 111 A 1141 LYS HA A 1141 LYS HB2 1.0 1.591 2.793 127 112 A 1141 LYS HA A 1141 LYS HB3 1.0 1.555 2.671 128 113 A 1141 LYS HB3 A 1141 LYS HG2 1.0 1.730 3.334 129 114 A 1141 LYS HB3 A 1141 LYS HG3 1.0 1.759 3.465 130 115 A 1141 LYS HB2 A 1141 LYS HG3 1.0 1.766 3.496 131 116 A 1141 LYS HB2 A 1141 LYS HG2 1.0 1.772 3.526 132 117 A 1141 LYS HA A 1141 LYS HG2 1.0 1.895 4.275 133 118 A 1141 LYS HG2 A 1141 LYS HE2 1.0 1.810 3.722 134 119 A 1141 LYS HG3 A 1141 LYS HE2 1.0 1.775 3.543 135 120 A 1141 LYS HE2 A 1141 LYS HDx 1.0 1.667 3.067 136 121 A 1141 LYS HDx A 1141 LYS HE3 1.0 1.689 3.159 137 122 A 1141 LYS HG2 A 1141 LYS HE3 1.0 1.801 3.675 138 123 A 1141 LYS HG3 A 1141 LYS HE3 1.0 1.794 3.634 139 124 A 1141 LYS HB2 A 1141 LYS HE2 1.0 1.967 5.009 140 125 A 1142 ASN HB2 A 1142 ASN HB3 1.0 1.406 2.234 141 126 A 1142 ASN HB3 A 1142 ASN HA 1.0 1.633 2.937 142 127 A 1142 ASN HB2 A 1142 ASN HA 1.0 1.681 3.125 143 128 A 1145 SER HA A 1145 SER HB3 1.0 1.544 2.638 144 129 A 1145 SER HA A 1145 SER HB2 1.0 1.529 2.591 145 130 A 1127 VAL HG2% A 1127 VAL HB 1.0 1.556 2.672 146 131 A 1127 VAL HG2% A 1127 VAL HA 1.0 1.601 2.825 147 132 A 1127 VAL HG1% A 1127 VAL HB 1.0 1.516 2.548 148 133 A 1127 VAL HG1% A 1127 VAL HA 1.0 1.646 2.988 149 134 A 1105 ALA HA A 1106 PRO HD3 1.0 1.548 2.650 150 135 A 1105 ALA HA A 1106 PRO HD2 1.0 1.579 2.749 151 136 A 1105 ALA HB% A 1106 PRO HD2 1.0 1.740 3.376 152 137 A 1105 ALA HB% A 1106 PRO HD3 1.0 1.809 3.715 153 138 A 1108 SER HA A 1108 SER HB2 1.0 1.496 2.488 154 139 A 1113 GLN HB2 A 1109 CYS HB3 1.0 1.779 3.559 155 140 A 1113 GLN HB2 A 1109 CYS HB2 1.0 1.857 3.999 156 141 A 1110 LEU HB2 A 1113 GLN HG3 1.0 1.769 3.511 157 142 A 1112 THR HA A 1124 LYS HD3 1.0 1.713 3.257 158 143 A 1112 THR HA A 1124 LYS HEx 1.0 1.801 3.677 159 144 A 1112 THR HG2% A 1112 THR HB 1.0 1.509 2.525 160 145 A 1113 GLN HG2 A 1123 SER HA 1.0 1.878 4.142 161 146 A 1143 CYS HA A 1143 CYS HB3 1.0 1.634 2.942 162 147 A 1110 LEU HB3 A 1113 GLN HG3 1.0 1.816 3.762 163 148 A 1110 LEU HB2 A 1113 GLN HG2 1.0 1.828 3.828 164 149 A 1124 LYS HG3 A 1113 GLN HA 1.0 1.726 3.314 165 150 A 1114 TYR HB2 A 1122 ILE HG13 1.0 1.816 3.758 166 151 A 1122 ILE HG12 A 1114 TYR HB2 1.0 1.838 3.884 167 152 A 1114 TYR HB2 A 1122 ILE HD1% 1.0 1.883 4.183 168 153 A 1114 TYR HA A 1124 LYS HG3 1.0 1.860 4.024 169 154 A 1114 TYR HB2 A 1124 LYS HA 1.0 1.788 3.606 170 155 A 1115 THR HB A 1115 THR HG2% 1.0 1.433 2.309 171 156 A 1115 THR HA A 1121 CYS HA 1.0 1.743 3.389 172 157 A 1116 CYS HB3 A 1116 CYS HB2 1.0 1.658 3.036 173 158 A 1116 CYS HB3 A 1120 GLN HB2 1.0 1.830 3.840 174 159 A 1118 ASN HB3 A 1118 ASN HB2 1.0 1.537 2.613 175 160 A 1120 GLN HG3 A 1120 GLN HB3 1.0 1.671 3.081 176 161 A 1120 GLN HA A 1120 GLN HB3 1.0 1.774 3.534 177 162 A 1113 GLN HB2 A 1121 CYS HB2 1.0 1.835 3.865 178 163 A 1114 TYR HD1 A 1122 ILE HD1% 1.0 1.748 3.414 179 163 A 1114 TYR HD2 A 1122 ILE HD1% 1.0 1.748 3.414 180 164 A 1126 TRP HE3 A 1122 ILE HD1% 1.0 1.798 3.660 181 165 A 1126 TRP HE3 A 1122 ILE HB 1.0 1.759 3.463 182 166 A 1122 ILE HG2% A 1126 TRP HE3 1.0 1.806 3.702 183 167 A 1126 TRP HB3 A 1122 ILE HD1% 1.0 1.702 3.210 184 168 A 1122 ILE HD1% A 1139 ASP HB3 1.0 1.615 2.877 185 169 A 1122 ILE HG12 A 1114 TYR HB3 1.0 1.797 3.655 186 170 A 1122 ILE HG13 A 1122 ILE HG2% 1.0 1.704 3.220 187 171 A 1127 VAL HG2% A 1122 ILE HD1% 1.0 1.715 3.265 188 172 A 1122 ILE HG13 A 1126 TRP HB3 1.0 1.971 5.059 189 173 A 1113 GLN HA A 1123 SER HA 1.0 1.735 3.351 190 174 A 1114 TYR HB3 A 1124 LYS HA 1.0 1.673 3.091 191 175 A 1114 TYR HB3 A 1124 LYS HG3 1.0 1.847 3.939 192 176 A 1126 TRP HA A 1129 ASP HB3 1.0 1.843 3.919 193 177 A 1126 TRP HB3 A 1122 ILE HB 1.0 1.932 4.600 194 178 A 1126 TRP HB2 A 1122 ILE HB 1.0 1.910 4.390 195 179 A 1126 TRP HB2 A 1122 ILE HD1% 1.0 1.738 3.368 196 180 A 1126 TRP HB3 A 1126 TRP HE3 1.0 1.841 3.907 197 181 A 1126 TRP HB2 A 1126 TRP HE3 1.0 1.856 3.992 198 182 A 1127 VAL HG1% A 1139 ASP HB3 1.0 1.789 3.611 199 183 A 1127 VAL HG1% A 1128 CYS HB3 1.0 1.729 3.323 200 184 A 1127 VAL HG2% A 1139 ASP HB2 1.0 1.875 4.129 201 185 A 1127 VAL HG2% A 1114 TYR HB3 1.0 1.615 2.877 202 186 A 1127 VAL HG1% A 1128 CYS HB2 1.0 1.842 3.910 203 187 A 1139 ASP HB2 A 1127 VAL HA 1.0 1.803 3.685 204 188 A 1127 VAL HA A 1139 ASP HB3 1.0 1.676 3.104 205 189 A 1128 CYS HB2 A 1128 CYS HA 1.0 1.667 3.067 206 190 A 1128 CYS HB3 A 1128 CYS HA 1.0 1.744 3.394 207 191 A 1128 CYS HB3 A 1128 CYS HB2 1.0 1.457 2.375 208 192 A 1129 ASP HA A 1130 THR HG2% 1.0 1.832 3.844 209 193 A 1139 ASP HA A 1139 ASP HB2 1.0 1.629 2.923 210 194 A 1139 ASP HA A 1139 ASP HB3 1.0 1.625 2.909 211 195 A 1139 ASP HB2 A 1139 ASP HB3 1.0 1.478 2.436 212 196 A 1139 ASP HA A 1122 ILE HD1% 1.0 1.854 3.990 213 197 A 1139 ASP HA A 1127 VAL HG1% 1.0 1.792 3.626 214 198 A 1127 VAL HG2% A 1139 ASP HA 1.0 1.835 3.867 215 199 A 1140 GLU HB3 A 1140 GLU HG2 1.0 1.801 3.677 216 200 A 1140 GLU HB2 A 1140 GLU HG3 1.0 1.834 3.860 217 201 A 1141 LYS HB2 A 1138 SER HA 1.0 1.902 4.330 218 202 A 1141 LYS HB3 A 1138 SER HA 1.0 1.869 4.081 219 203 A 1141 LYS HDx A 1138 SER HA 1.0 1.810 3.720 220 204 A 1141 LYS HG2 A 1138 SER HA 1.0 1.942 4.690 221 205 A 1143 CYS HA A 1143 CYS HB2 1.0 1.704 3.218 222 206 A 1143 CYS HB3 A 1143 CYS HB2 1.0 1.433 2.309 223 207 A 1127 VAL HG1% A 1128 CYS HA 1.0 1.926 4.534 224 208 A 1110 LEU HB3 A 1110 LEU HD2% 1.0 1.549 2.653 225 209 A 1110 LEU HB3 A 1110 LEU HA 1.0 1.685 3.137 226 210 A 1137 GLY HA2 A 1137 GLY HA3 1.0 1.580 2.754 227 211 A 1136 ASP HA A 1136 ASP HB3 1.0 1.611 2.859 228 212 A 1136 ASP HB3 A 1136 ASP HB2 1.0 1.552 2.662 229 213 A 1148 THR HB A 1148 THR HG2% 1.0 1.551 2.659 230 214 A 1148 THR HG2% A 1148 THR HA 1.0 1.623 2.903 231 215 A 1146 THR HA A 1146 THR HG2% 1.0 1.507 2.519 232 216 A 1146 THR HG2% A 1146 THR HB 1.0 1.520 2.560 233 217 A 1106 PRO HB3 A 1106 PRO HD3 1.0 1.911 4.403 234 218 A 1110 LEU HB3 A 1109 CYS HA 1.0 1.921 4.487 235 219 A 1113 GLN HB2 A 1109 CYS HA 1.0 1.951 4.791 236 220 A 1116 CYS HB3 A 1120 GLN HB3 1.0 1.940 4.672 237 221 A 1126 TRP HE3 A 1122 ILE HA 1.0 1.899 4.307 238 222 A 1122 ILE HG2% A 1121 CYS HA 1.0 1.926 4.530 239 223 A 1122 ILE HG13 A 1122 ILE HA 1.0 1.865 4.057 240 224 A 1127 VAL HG2% A 1124 LYS HG3 1.0 1.926 4.534 241 225 A 1141 LYS HG3 A 1142 ASN HB2 1.0 1.921 4.485 242 226 A 1104 HIS HD2 A 1104 HIS HA 1.0 1.745 3.397 243 227 A 1106 PRO HB2 A 1106 PRO HD2 1.0 1.954 4.826 244 228 A 1113 GLN HB3 A 1109 CYS HB3 1.0 1.717 3.275 245 229 A 1113 GLN HB3 A 1109 CYS HB2 1.0 1.834 3.866 246 230 A 1124 LYS HD3 A 1112 THR HB 1.0 1.937 4.639 247 231 A 1115 THR HG2% A 1119 HIS HB2 1.0 1.959 4.893 248 232 A 1119 HIS HD2 A 1119 HIS HB3 1.0 1.954 4.838 249 233 A 1119 HIS HD2 A 1119 HIS HB2 1.0 1.984 5.314 250 234 A 1122 ILE HG2% A 1120 GLN HG3 1.0 1.960 4.918 251 235 A 1122 ILE HG2% A 1120 GLN HG2 1.0 1.949 4.767 252 236 A 1122 ILE HG2% A 1120 GLN HB2 1.0 1.965 4.965 253 237 A 1122 ILE HG2% A 1120 GLN HB3 1.0 1.956 4.864 254 238 A 1115 THR HG2% A 1121 CYS HA 1.0 1.898 4.296 255 239 A 1122 ILE HD1% A 1134 CYS HA 1.0 1.906 4.364 256 240 A 1122 ILE HG2% A 1134 CYS HA 1.0 1.786 3.600 257 241 A 1122 ILE HG2% A 1126 TRP HB3 1.0 1.914 4.434 258 242 A 1122 ILE HG12 A 1126 TRP HB3 1.0 1.964 4.956 259 243 A 1114 TYR HE1 A 1122 ILE HD1% 1.0 1.868 4.078 260 243 A 1114 TYR HE2 A 1122 ILE HD1% 1.0 1.868 4.078 261 244 A 1123 SER HB2 A 1126 TRP HE3 1.0 1.977 5.169 262 245 A 1124 LYS HA A 1124 LYS HD3 1.0 1.951 4.805 263 246 A 1124 LYS HB3 A 1124 LYS HEx 1.0 1.965 4.979 264 247 A 1127 VAL HG2% A 1124 LYS HB3 1.0 1.959 4.891 265 248 A 1127 VAL HG1% A 1124 LYS HA 1.0 1.951 4.797 266 249 A 1114 TYR HD1 A 1124 LYS HA 1.0 1.958 4.884 267 249 A 1114 TYR HD2 A 1124 LYS HA 1.0 1.958 4.884 268 250 A 1114 TYR HD1 A 1124 LYS HEx 1.0 1.978 5.192 269 250 A 1114 TYR HD2 A 1124 LYS HEx 1.0 1.978 5.192 270 251 A 1126 TRP HA A 1122 ILE HD1% 1.0 1.943 4.711 271 252 A 1127 VAL HG2% A 1126 TRP HB2 1.0 1.988 5.388 272 253 A 1127 VAL HG2% A 1124 LYS HA 1.0 1.611 2.859 273 254 A 1127 VAL HG2% A 1114 TYR HA 1.0 1.919 4.465 274 255 A 1114 TYR HD1 A 1127 VAL HG1% 1.0 1.888 4.220 275 255 A 1114 TYR HD2 A 1127 VAL HG1% 1.0 1.888 4.220 276 256 A 1122 ILE HD1% A 1127 VAL HA 1.0 1.871 4.101 277 257 A 1127 VAL HG2% A 1122 ILE HG13 1.0 1.901 4.317 278 258 A 1127 VAL HG2% A 1124 LYS HB2 1.0 1.954 4.836 279 259 A 1127 VAL HG2% A 1114 TYR HB2 1.0 1.693 3.173 280 260 A 1128 CYS HA A 1143 CYS HB2 1.0 1.956 4.860 281 261 A 1126 TRP HA A 1129 ASP HB2 1.0 1.967 5.011 282 262 A 1129 ASP HA A 1130 THR HA 1.0 1.981 5.245 283 263 A 1138 SER HA A 1138 SER HB2 1.0 1.575 2.739 284 264 A 1138 SER HB2 A 1138 SER HB3 1.0 1.521 2.563 285 265 A 1138 SER HA A 1138 SER HB3 1.0 1.556 2.676 286 266 A 1117 ASP HB2 A 1138 SER HB2 1.0 1.802 3.682 287 267 A 1117 ASP HB2 A 1138 SER HB3 1.0 1.800 3.668 288 268 A 1117 ASP HB3 A 1138 SER HB2 1.0 1.847 3.939 289 269 A 1117 ASP HB3 A 1138 SER HB3 1.0 1.954 4.842 290 270 A 1141 LYS HDx A 1138 SER HB2 1.0 1.854 3.984 291 271 A 1141 LYS HDx A 1138 SER HB3 1.0 1.801 3.675 292 272 A 1127 VAL HG2% A 1139 ASP HB3 1.0 1.814 3.744 293 273 A 1114 TYR HE1 A 1139 ASP HB3 1.0 1.914 4.428 294 273 A 1114 TYR HE2 A 1139 ASP HB3 1.0 1.914 4.428 295 274 A 1114 TYR HD1 A 1139 ASP HB3 1.0 1.874 4.122 296 274 A 1114 TYR HD2 A 1139 ASP HB3 1.0 1.874 4.122 297 275 A 1114 TYR HD1 A 1139 ASP HB2 1.0 1.981 5.245 298 275 A 1114 TYR HD2 A 1139 ASP HB2 1.0 1.981 5.245 299 276 A 1140 GLU HB3 A 1140 GLU HG3 1.0 1.781 3.575 300 277 A 1140 GLU HA A 1140 GLU HG3 1.0 1.670 3.082 301 278 A 1140 GLU HB2 A 1140 GLU HG2 1.0 1.787 3.599 302 279 A 1127 VAL HG1% A 1140 GLU HA 1.0 1.922 4.500 303 280 A 1127 VAL HG2% A 1140 GLU HA 1.0 1.989 6.581 304 281 A 1141 LYS HB3 A 1141 LYS HE2 1.0 1.948 4.756 305 282 A 1141 LYS HA A 1141 LYS HG3 1.0 1.855 3.987 306 283 A 1141 LYS HG3 A 1142 ASN HB3 1.0 1.980 5.208 307 284 A 1144 ASN HA A 1144 ASN HB3 1.0 1.526 2.580 308 285 A 1144 ASN HA A 1144 ASN HB2 1.0 1.515 2.547 309 286 A 1147 GLU HA A 1147 GLU HB3 1.0 1.644 2.982 310 287 A 1147 GLU HA A 1147 GLU HB2 1.0 1.656 3.028 311 288 A 1122 ILE HD1% A 1124 LYS HA 1.0 1.950 4.780 312 289 A 1127 VAL HG1% A 1139 ASP HB2 1.0 1.977 5.159 313 290 A 1106 PRO HA A 1107 ALA HB% 1.0 1.942 4.696 314 291 A 1115 THR HG2% A 1109 CYS HB2 1.0 1.971 5.061 315 292 A 1115 THR HG2% A 1109 CYS HB3 1.0 1.965 4.977 316 293 A 1112 THR HA A 1112 THR HB 1.0 1.543 2.633 317 294 A 1119 HIS HD2 A 1115 THR HG2% 1.0 1.847 3.941 318 295 A 1116 CYS HB3 A 1120 GLN HG2 1.0 1.944 4.724 319 296 A 1122 ILE HG13 A 1115 THR HA 1.0 1.974 5.102 320 297 A 1140 GLU HA A 1128 CYS HB2 1.0 1.934 4.614 321 298 A 1140 GLU HA A 1128 CYS HB3 1.0 1.924 4.510 322 299 A 1143 CYS HB3 A 1128 CYS HA 1.0 1.902 4.328 323 300 A 1145 SER HA A 1146 THR HG2% 1.0 1.905 4.357 324 301 A 1113 GLN HB2 A 1121 CYS HA 1.0 1.950 4.786 325 302 A 1121 CYS HA A 1109 CYS HB3 1.0 1.965 4.963 326 303 A 1140 GLU HB3 A 1128 CYS HA 1.0 1.984 5.296 327 304 A 1128 CYS HA A 1140 GLU HG3 1.0 1.975 5.129 328 305 A 1122 ILE HG2% A 1133 ASP HBy 1.0 1.639 2.961 329 306 A 1126 TRP HE3 A 1133 ASP HBy 1.0 1.727 3.317 330 307 A 1126 TRP HB3 A 1133 ASP HBy 1.0 1.872 4.104 331 308 A 1133 ASP HBy A 1122 ILE HB 1.0 1.880 4.160 332 309 A 1133 ASP HBy A 1133 ASP HA 1.0 1.630 2.930 333 310 A 1133 ASP HBy A 1122 ILE HD1% 1.0 1.623 2.903 334 311 A 1122 ILE HG13 A 1133 ASP HBy 1.0 1.955 4.845 335 312 A 1122 ILE HG2% A 1134 CYS HBx 1.0 1.999 5.791 336 313 A 1134 CYS HA A 1134 CYS HBx 1.0 1.823 3.797 337 314 A 1141 LYS HE2 A 1138 SER HB3 1.0 1.916 4.440 338 315 A 1141 LYS HE3 A 1138 SER HB3 1.0 1.829 3.833 339 316 A 1110 LEU HB2 A 1109 CYS HB3 1.0 1.996 5.644 340 317 A 1139 ASP HB2 A 1122 ILE HD1% 1.0 1.630 2.930 341 318 A 1114 TYR HE1 A 1138 SER HB3 1.0 1.998 5.724 342 318 A 1114 TYR HE2 A 1138 SER HB3 1.0 1.998 5.724 343 319 A 1114 TYR HE1 A 1138 SER HB2 1.0 1.989 5.413 344 319 A 1114 TYR HE2 A 1138 SER HB2 1.0 1.989 5.413 345 320 A 1122 ILE HG2% A 1133 ASP HA 1.0 1.935 4.619 346 321 A 1113 GLN HA A 1124 LYS HD3 1.0 1.983 5.275 347 322 A 1141 LYS HE2 A 1138 SER HA 1.0 1.842 3.906 348 323 A 1141 LYS HE3 A 1138 SER HA 1.0 1.885 4.193 349 324 A 1120 GLN HG3 A 1134 CYS HA 1.0 2.000 5.946 350 325 A 1120 GLN HG2 A 1134 CYS HA 1.0 1.972 5.080 351 326 A 1141 LYS HG3 A 1138 SER HA 1.0 1.884 4.190 352 327 A 1115 THR HA A 1109 CYS HB3 1.0 1.943 4.711 353 328 A 1113 GLN HG3 A 1123 SER HA 1.0 1.653 3.013 354 329 A 1124 LYS HG3 A 1123 SER HA 1.0 1.937 4.647 355 330 A 1136 ASP HA A 1136 ASP HB2 1.0 1.628 2.922 356 331 A 1106 PRO HB2 A 1106 PRO HD3 1.0 1.974 5.122 357 332 A 1110 LEU HB3 A 1113 GLN HG2 1.0 1.949 4.767 358 333 A 1110 LEU HD2% A 1113 GLN HG2 1.0 1.825 3.811 359 334 A 1110 LEU HD2% A 1113 GLN HG3 1.0 1.780 3.568 360 335 A 1122 ILE HG12 A 1122 ILE HD1% 1.0 1.519 2.557 361 336 A 1115 THR HA A 1109 CYS HB2 1.0 1.970 5.054 362 337 A 1119 HIS HA A 1115 THR HA 1.0 1.977 5.171 363 338 A 1119 HIS HA A 1115 THR HG2% 1.0 1.453 2.363 364 339 A 1120 GLN HA A 1120 GLN HG2 1.0 1.814 3.748 365 340 A 1120 GLN HG3 A 1120 GLN HA 1.0 1.858 4.014 366 341 A 1122 ILE HG13 A 1121 CYS HA 1.0 1.993 5.527 367 342 A 1130 THR HA A 1128 CYS HA 1.0 1.968 5.016 368 343 A 1140 GLU HG3 A 1137 GLY HA2 1.0 1.986 5.358 369 344 A 1140 GLU HB2 A 1137 GLY HA2 1.0 1.998 5.752 370 345 A 1122 ILE HA A 1122 ILE HD1% 1.0 1.868 4.078 371 346 A 1146 THR HA A 1148 THR H 1.0 1.733 3.345 372 347 A 1146 THR HA A 1147 GLU H 1.0 1.617 2.881 373 348 A 1147 GLU HB2 A 1147 GLU H 1.0 1.712 3.252 374 349 A 1147 GLU H A 1147 GLU HG2 1.0 1.855 3.991 375 350 A 1145 SER HA A 1146 THR H 1.0 1.821 3.787 376 351 A 1144 ASN HB2 A 1144 ASN H 1.0 1.755 3.443 377 352 A 1144 ASN HA A 1144 ASN H 1.0 1.842 3.912 378 353 A 1143 CYS HB2 A 1143 CYS H 1.0 1.689 3.155 379 354 A 1143 CYS HB3 A 1143 CYS H 1.0 1.808 3.716 380 355 A 1143 CYS H A 1142 ASN H 1.0 1.818 3.772 381 356 A 1142 ASN HB2 A 1142 ASN H 1.0 1.767 3.503 382 357 A 1142 ASN HB3 A 1142 ASN H 1.0 1.844 3.922 383 358 A 1141 LYS H A 1140 GLU H 1.0 1.644 2.980 384 359 A 1142 ASN H A 1141 LYS H 1.0 1.766 3.496 385 360 A 1141 LYS HA A 1141 LYS H 1.0 1.659 3.035 386 361 A 1138 SER HA A 1141 LYS H 1.0 1.857 4.005 387 362 A 1141 LYS HB2 A 1141 LYS H 1.0 1.667 3.069 388 363 A 1141 LYS HG3 A 1141 LYS H 1.0 1.714 3.262 389 364 A 1140 GLU H A 1139 ASP H 1.0 1.760 3.468 390 365 A 1131 ASP HB3 A 1131 ASP H 1.0 1.661 3.047 391 366 A 1131 ASP HA A 1131 ASP H 1.0 1.786 3.596 392 367 A 1130 THR H A 1129 ASP H 1.0 1.672 3.088 393 368 A 1130 THR HA A 1130 THR H 1.0 1.618 2.888 394 369 A 1128 CYS HA A 1129 ASP H 1.0 1.816 3.756 395 370 A 1127 VAL HA A 1129 ASP H 1.0 1.852 3.968 396 371 A 1128 CYS HA A 1128 CYS H 1.0 1.767 3.501 397 372 A 1127 VAL HA A 1128 CYS H 1.0 1.758 3.462 398 373 A 1127 VAL HG1% A 1128 CYS H 1.0 1.890 4.236 399 374 A 1126 TRP HA A 1127 VAL H 1.0 1.830 3.842 400 375 A 1127 VAL HA A 1127 VAL H 1.0 1.711 3.247 401 376 A 1127 VAL HB A 1127 VAL H 1.0 1.504 2.510 402 377 A 1127 VAL HG2% A 1127 VAL H 1.0 1.555 2.671 403 378 A 1127 VAL H A 1126 TRP H 1.0 1.614 2.872 404 379 A 1126 TRP HA A 1126 TRP H 1.0 1.838 3.884 405 380 A 1125 ASN HA A 1126 TRP H 1.0 1.898 4.300 406 381 A 1126 TRP HB3 A 1126 TRP H 1.0 1.748 3.412 407 382 A 1123 SER HB2 A 1126 TRP H 1.0 1.815 3.753 408 383 A 1127 VAL HG2% A 1126 TRP H 1.0 1.887 4.211 409 384 A 1126 TRP H A 1125 ASN H 1.0 1.844 3.918 410 385 A 1125 ASN HA A 1125 ASN H 1.0 1.847 3.939 411 386 A 1125 ASN HB2 A 1125 ASN H 1.0 1.796 3.648 412 387 A 1113 GLN HA A 1124 LYS H 1.0 1.755 3.447 413 388 A 1123 SER HA A 1124 LYS H 1.0 1.591 2.791 414 389 A 1124 LYS HA A 1124 LYS H 1.0 1.785 3.593 415 390 A 1124 LYS HG3 A 1124 LYS H 1.0 1.759 3.463 416 391 A 1125 ASN H A 1124 LYS H 1.0 1.849 3.953 417 392 A 1122 ILE HA A 1123 SER H 1.0 1.717 3.273 418 393 A 1123 SER HA A 1123 SER H 1.0 1.817 3.763 419 394 A 1123 SER HB3 A 1123 SER H 1.0 1.785 3.593 420 395 A 1122 ILE HB A 1123 SER H 1.0 1.632 2.938 421 396 A 1122 ILE HG2% A 1123 SER H 1.0 1.881 4.171 422 397 A 1122 ILE H A 1114 TYR H 1.0 1.829 3.833 423 398 A 1121 CYS HA A 1122 ILE H 1.0 1.600 2.822 424 399 A 1122 ILE HA A 1122 ILE H 1.0 1.816 3.758 425 400 A 1113 GLN HB2 A 1122 ILE H 1.0 1.843 3.919 426 401 A 1122 ILE HG13 A 1122 ILE H 1.0 1.799 3.665 427 402 A 1122 ILE HG12 A 1122 ILE H 1.0 1.756 3.452 428 403 A 1122 ILE HG2% A 1122 ILE H 1.0 1.758 3.460 429 404 A 1121 CYS HA A 1121 CYS H 1.0 1.845 3.929 430 405 A 1120 GLN HA A 1121 CYS H 1.0 1.554 2.670 431 406 A 1116 CYS HB3 A 1120 GLN H 1.0 1.784 3.588 432 407 A 1119 HIS HA A 1119 HIS H 1.0 1.754 3.438 433 408 A 1117 ASP H A 1118 ASN H 1.0 1.810 3.722 434 409 A 1116 CYS HA A 1117 ASP H 1.0 1.722 3.296 435 410 A 1117 ASP HA A 1117 ASP H 1.0 1.695 3.181 436 411 A 1116 CYS HB3 A 1117 ASP H 1.0 1.838 3.886 437 412 A 1117 ASP HB2 A 1117 ASP H 1.0 1.662 3.046 438 413 A 1117 ASP HB3 A 1117 ASP H 1.0 1.813 3.737 439 414 A 1115 THR HA A 1116 CYS H 1.0 1.688 3.152 440 415 A 1116 CYS HB3 A 1116 CYS H 1.0 1.855 3.987 441 416 A 1116 CYS HB2 A 1116 CYS H 1.0 1.914 4.432 442 417 A 1114 TYR HD1 A 1115 THR H 1.0 1.796 3.650 443 417 A 1114 TYR HD2 A 1115 THR H 1.0 1.796 3.650 444 418 A 1115 THR HB A 1115 THR H 1.0 1.615 2.875 445 419 A 1115 THR HG2% A 1115 THR H 1.0 1.874 4.116 446 420 A 1114 TYR HA A 1114 TYR H 1.0 1.747 3.407 447 421 A 1114 TYR HB3 A 1114 TYR H 1.0 1.638 2.958 448 422 A 1113 GLN HB2 A 1114 TYR H 1.0 1.668 3.070 449 423 A 1124 LYS HG3 A 1114 TYR H 1.0 1.808 3.710 450 424 A 1113 GLN H A 1112 THR H 1.0 1.685 3.143 451 425 A 1113 GLN HA A 1113 GLN H 1.0 1.716 3.272 452 426 A 1112 THR HA A 1113 GLN H 1.0 1.794 3.640 453 427 A 1113 GLN HB3 A 1113 GLN H 1.0 1.605 2.839 454 428 A 1113 GLN HG2 A 1113 GLN H 1.0 1.830 3.836 455 429 A 1113 GLN HB2 A 1113 GLN H 1.0 1.766 3.500 456 430 A 1110 LEU HB3 A 1113 GLN H 1.0 1.784 3.588 457 431 A 1110 LEU HB2 A 1113 GLN H 1.0 1.791 3.623 458 432 A 1110 LEU HD2% A 1113 GLN H 1.0 1.883 4.181 459 433 A 1112 THR HA A 1112 THR H 1.0 1.753 3.433 460 434 A 1110 LEU HG A 1112 THR H 1.0 1.701 3.207 461 435 A 1110 LEU HB2 A 1112 THR H 1.0 1.780 3.570 462 436 A 1112 THR HG2% A 1112 THR H 1.0 1.712 3.252 463 437 A 1110 LEU HA A 1111 ASP H 1.0 1.620 2.892 464 438 A 1111 ASP H A 1111 ASP HB3 1.0 1.701 3.207 465 439 A 1110 LEU HG A 1111 ASP H 1.0 1.837 3.881 466 440 A 1110 LEU HD1% A 1111 ASP H 1.0 1.851 3.965 467 441 A 1109 CYS HA A 1110 LEU H 1.0 1.579 2.749 468 442 A 1110 LEU HA A 1110 LEU H 1.0 1.741 3.381 469 443 A 1109 CYS HB2 A 1110 LEU H 1.0 1.815 3.747 470 444 A 1113 GLN HB3 A 1110 LEU H 1.0 1.678 3.112 471 445 A 1113 GLN HB2 A 1110 LEU H 1.0 1.811 3.731 472 446 A 1110 LEU HB3 A 1110 LEU H 1.0 1.521 2.565 473 447 A 1108 SER HA A 1109 CYS H 1.0 1.519 2.559 474 448 A 1109 CYS HA A 1109 CYS H 1.0 1.717 3.271 475 449 A 1109 CYS HB3 A 1109 CYS H 1.0 1.748 3.416 476 450 A 1108 SER HA A 1108 SER H 1.0 1.827 3.821 477 451 A 1107 ALA HA A 1108 SER H 1.0 1.593 2.797 478 452 A 1108 SER HB2 A 1108 SER H 1.0 1.704 3.218 479 453 A 1107 ALA HB% A 1108 SER H 1.0 1.833 3.857 480 454 A 1107 ALA HB% A 1107 ALA H 1.0 1.658 3.034 481 455 A 1106 PRO HB2 A 1107 ALA H 1.0 1.834 3.866 482 456 A 1106 PRO HA A 1107 ALA H 1.0 1.569 2.717 483 457 A 1126 TRP HD1 A 1126 TRP HE1 1.0 1.738 3.364 484 458 A 1131 ASP HB2 A 1131 ASP H 1.0 1.756 3.448 485 459 A 1130 THR HA A 1131 ASP H 1.0 1.864 4.048 486 460 A 1131 ASP H A 1130 THR H 1.0 1.835 3.865 487 461 A 1130 THR HG2% A 1130 THR H 1.0 1.818 3.766 488 462 A 1112 THR H A 1111 ASP HB3 1.0 1.864 4.054 489 463 A 1112 THR H A 1111 ASP H 1.0 1.859 4.015 490 464 A 1118 ASN HD22 A 1118 ASN HD21 1.0 1.607 2.847 491 465 A 1118 ASN HB3 A 1118 ASN HD22 1.0 1.808 3.712 492 466 A 1142 ASN HB2 A 1142 ASN HD21 1.0 1.900 4.310 493 467 A 1113 GLN HE22 A 1113 GLN HE21 1.0 1.423 2.281 494 468 A 1113 GLN HG2 A 1113 GLN HE21 1.0 1.806 3.704 495 469 A 1110 LEU HD2% A 1113 GLN HE21 1.0 1.949 4.765 496 470 A 1140 GLU HB2 A 1140 GLU H 1.0 1.796 3.648 497 471 A 1120 GLN HB2 A 1120 GLN H 1.0 1.668 3.070 498 472 A 1140 GLU HB3 A 1140 GLU H 1.0 1.790 3.616 499 473 A 1120 GLN HA A 1120 GLN H 1.0 1.840 3.898 500 474 A 1120 GLN H A 1119 HIS H 1.0 1.840 3.898 501 475 A 1107 ALA HA A 1107 ALA H 1.0 1.629 2.925 502 476 A 1106 PRO HB3 A 1107 ALA H 1.0 1.991 5.475 503 477 A 1110 LEU HB2 A 1111 ASP H 1.0 1.896 4.278 504 478 A 1113 GLN HA A 1114 TYR H 1.0 1.641 2.971 505 479 A 1124 LYS HA A 1114 TYR H 1.0 1.864 4.044 506 480 A 1122 ILE HG13 A 1114 TYR H 1.0 1.827 3.825 507 481 A 1123 SER HA A 1114 TYR H 1.0 1.915 4.435 508 482 A 1116 CYS HB3 A 1119 HIS H 1.0 1.886 4.200 509 483 A 1119 HIS H A 1118 ASN H 1.0 1.872 4.104 510 484 A 1122 ILE HG13 A 1123 SER H 1.0 1.923 4.507 511 485 A 1125 ASN HA A 1127 VAL H 1.0 1.895 4.277 512 486 A 1129 ASP HA A 1129 ASP H 1.0 1.833 3.853 513 487 A 1129 ASP HA A 1130 THR H 1.0 1.834 3.862 514 488 A 1138 SER HB3 A 1138 SER H 1.0 1.876 4.130 515 489 A 1138 SER HA A 1138 SER H 1.0 1.877 4.141 516 490 A 1138 SER HB2 A 1138 SER H 1.0 1.865 4.055 517 491 A 1139 ASP HA A 1139 ASP H 1.0 1.836 3.874 518 492 A 1139 ASP HB2 A 1139 ASP H 1.0 1.868 4.076 519 493 A 1140 GLU HA A 1140 GLU H 1.0 1.772 3.530 520 494 A 1141 LYS H A 1139 ASP H 1.0 1.879 4.153 521 495 A 1141 LYS HB2 A 1142 ASN H 1.0 1.857 4.003 522 496 A 1141 LYS HB3 A 1142 ASN H 1.0 1.869 4.087 523 497 A 1141 LYS HG2 A 1142 ASN H 1.0 1.877 4.143 524 498 A 1141 LYS HG3 A 1142 ASN H 1.0 1.923 4.509 525 499 A 1144 ASN HA A 1145 SER H 1.0 1.951 4.803 526 500 A 1146 THR HA A 1146 THR H 1.0 1.806 3.702 527 501 A 1148 THR HA A 1148 THR H 1.0 1.856 3.994 528 502 A 1113 GLN HG3 A 1113 GLN HE21 1.0 1.899 4.303 529 503 A 1121 CYS HB3 A 1113 GLN HE22 1.0 1.883 4.179 530 504 A 1125 ASN HD22 A 1125 ASN HD21 1.0 1.493 2.479 531 505 A 1138 SER HA A 1140 GLU H 1.0 1.850 3.960 532 506 A 1138 SER HB2 A 1117 ASP H 1.0 1.831 3.847 533 507 A 1114 TYR HA A 1115 THR H 1.0 1.491 2.475 534 508 A 1110 LEU HD2% A 1112 THR H 1.0 1.905 4.351 535 509 A 1114 TYR HB2 A 1114 TYR H 1.0 1.689 3.157 536 510 A 1142 ASN HB3 A 1142 ASN HD22 1.0 1.876 4.132 537 511 A 1142 ASN HB3 A 1142 ASN HD21 1.0 1.886 4.202 538 512 A 1142 ASN HD21 A 1142 ASN HD22 1.0 1.341 2.067 539 513 A 1142 ASN HB2 A 1142 ASN HD22 1.0 1.769 3.515 540 514 A 1112 THR H A 1111 ASP HA 1.0 1.800 3.668 541 515 A 1139 ASP HA A 1140 GLU H 1.0 1.801 3.679 542 516 A 1114 TYR HB2 A 1115 THR H 1.0 1.793 3.633 543 517 A 1139 ASP HB2 A 1140 GLU H 1.0 1.877 4.141 544 518 A 1116 CYS HB2 A 1120 GLN H 1.0 1.824 3.804 545 519 A 1113 GLN HG3 A 1114 TYR H 1.0 1.747 3.407 546 520 A 1110 LEU HB2 A 1110 LEU H 1.0 1.627 2.919 547 521 A 1140 GLU HG3 A 1140 GLU H 1.0 1.758 3.462 548 522 A 1115 THR HG2% A 1109 CYS H 1.0 1.872 4.110 549 523 A 1113 GLN H A 1110 LEU H 1.0 1.991 5.493 550 524 A 1124 LYS HEx A 1113 GLN H 1.0 1.934 4.614 551 525 A 1110 LEU HB3 A 1113 GLN HE22 1.0 1.874 4.120 552 526 A 1110 LEU HD2% A 1113 GLN HE22 1.0 1.855 3.989 553 527 A 1115 THR HG2% A 1116 CYS H 1.0 1.879 4.155 554 528 A 1116 CYS HA A 1116 CYS H 1.0 1.911 4.401 555 529 A 1114 TYR HD1 A 1116 CYS H 1.0 1.958 4.872 556 529 A 1114 TYR HD2 A 1116 CYS H 1.0 1.958 4.872 557 530 A 1118 ASN HB3 A 1119 HIS H 1.0 1.926 4.538 558 531 A 1123 SER HA A 1125 ASN H 1.0 1.905 4.353 559 532 A 1126 TRP HB2 A 1127 VAL H 1.0 1.859 4.015 560 533 A 1139 ASP HB3 A 1128 CYS H 1.0 1.925 4.529 561 534 A 1140 GLU HA A 1128 CYS H 1.0 1.894 4.266 562 535 A 1129 ASP H A 1128 CYS H 1.0 1.850 3.956 563 536 A 1129 ASP HB3 A 1129 ASP H 1.0 1.926 4.536 564 537 A 1130 THR HB A 1130 THR H 1.0 1.914 4.426 565 538 A 1128 CYS HA A 1130 THR H 1.0 1.858 4.010 566 539 A 1134 CYS HBx A 1137 GLY H 1.0 1.854 3.984 567 540 A 1137 GLY HA2 A 1137 GLY H 1.0 1.912 4.410 568 541 A 1138 SER H A 1137 GLY H 1.0 1.912 4.410 569 542 A 1144 ASN H A 1143 CYS H 1.0 1.875 4.127 570 543 A 1145 SER HB2 A 1146 THR H 1.0 1.854 3.982 571 544 A 1146 THR HG2% A 1146 THR H 1.0 1.919 4.477 572 545 A 1120 GLN HG2 A 1121 CYS H 1.0 1.748 3.414 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.restraint_origin disulfide_bond _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 1109 CYS SG A 1121 CYS SG 1.0 1.92 2.12 2 2 A 1116 CYS SG A 1134 CYS SG 1.0 1.92 2.12 3 3 A 1128 CYS SG A 1143 CYS SG 1.0 1.92 2.12 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 1114 TYR H A 1122 ILE O 1.0 1.73 2.7 2 2 A 1122 ILE H A 1114 TYR O 1.0 1.73 2.7 3 3 A 1116 CYS H A 1120 GLN O 1.0 1.73 2.7 4 4 A 1126 TRP H A 1123 SER O 1.0 1.73 2.7 5 5 A 1113 GLN H A 1110 LEU O 1.0 1.73 2.7 6 6 A 1119 HIS H A 1116 CYS O 1.0 1.73 2.7 7 7 A 1117 ASP H A 1138 SER OG 1.0 1.73 2.7 8 8 A 1125 ASN N A 1123 SER HG 1.0 1.73 2.7 9 9 A 1124 LYS H A 1112 THR O 1.0 1.73 2.7 10 10 A 1131 ASP H A 1129 ASP OD1 1.0 1.73 2.7 11 11 A 1130 THR HG1 A 1129 ASP O 1.0 1.73 2.7 12 12 A 1141 LYS H A 1137 GLY O 1.0 1.73 2.7 13 13 A 1128 CYS H A 1139 ASP OD1 1.0 1.73 2.7 14 14 A 1129 ASP H A 1140 GLU OE1 1.0 1.73 2.7 15 15 A 1130 THR H A 1140 GLU OE2 1.0 1.73 2.7 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 1104 HIS C A 1105 ALA N A 1105 ALA CA A 1105 ALA C 1.0 -100.0 -49.92 PHI 2 2 A 1105 ALA N A 1105 ALA CA A 1105 ALA C A 1106 PRO N 1.0 120.0 189.84 PSI 3 3 A 1105 ALA C A 1106 PRO N A 1106 PRO CA A 1106 PRO C 1.0 -90.0 -32.24 PHI 4 4 A 1106 PRO N A 1106 PRO CA A 1106 PRO C A 1107 ALA N 1.0 120.0 175.98 PSI 5 5 A 1106 PRO C A 1107 ALA N A 1107 ALA CA A 1107 ALA C 1.0 -150.0 -47.44 PHI 6 6 A 1107 ALA C A 1108 SER N A 1108 SER CA A 1108 SER C 1.0 -100.0 -33.38 PHI 7 7 A 1109 CYS C A 1110 LEU N A 1110 LEU CA A 1110 LEU C 1.0 -120.0 -45.66 PHI 8 8 A 1110 LEU N A 1110 LEU CA A 1110 LEU C A 1111 ASP N 1.0 120.0 206.86 PSI 9 9 A 1110 LEU C A 1111 ASP N A 1111 ASP CA A 1111 ASP C 1.0 -90.0 -21.20 PHI 10 10 A 1111 ASP N A 1111 ASP CA A 1111 ASP C A 1112 THR N 1.0 -50.0 -18.26 PSI 11 11 A 1111 ASP C A 1112 THR N A 1112 THR CA A 1112 THR C 1.0 -130.0 -61.56 PHI 12 12 A 1112 THR N A 1112 THR CA A 1112 THR C A 1113 GLN N 1.0 -30.0 31.54 PSI 13 13 A 1113 GLN C A 1114 TYR N A 1114 TYR CA A 1114 TYR C 1.0 -150.0 -83.80 PHI 14 14 A 1114 TYR N A 1114 TYR CA A 1114 TYR C A 1115 THR N 1.0 90.0 157.44 PSI 15 15 A 1114 TYR C A 1115 THR N A 1115 THR CA A 1115 THR C 1.0 -150.0 -28.08 PHI 16 16 A 1115 THR N A 1115 THR CA A 1115 THR C A 1116 CYS N 1.0 90.0 145.78 PSI 17 17 A 1115 THR C A 1116 CYS N A 1116 CYS CA A 1116 CYS C 1.0 -110.0 -59.98 PHI 18 18 A 1116 CYS N A 1116 CYS CA A 1116 CYS C A 1117 ASP N 1.0 130.0 199.98 PSI 19 19 A 1116 CYS C A 1117 ASP N A 1117 ASP CA A 1117 ASP C 1.0 -80.0 -49.98 PHI 20 20 A 1117 ASP N A 1117 ASP CA A 1117 ASP C A 1118 ASN N 1.0 -50.0 13.70 PSI 21 21 A 1117 ASP C A 1118 ASN N A 1118 ASN CA A 1118 ASN C 1.0 -120.0 -55.76 PHI 22 22 A 1120 GLN C A 1121 CYS N A 1121 CYS CA A 1121 CYS C 1.0 -170.0 -69.62 PHI 23 23 A 1121 CYS N A 1121 CYS CA A 1121 CYS C A 1122 ILE N 1.0 100.0 180.32 PSI 24 24 A 1121 CYS C A 1122 ILE N A 1122 ILE CA A 1122 ILE C 1.0 -170.0 -102.32 PHI 25 25 A 1122 ILE N A 1122 ILE CA A 1122 ILE C A 1123 SER N 1.0 120.0 195.66 PSI 26 26 A 1122 ILE C A 1123 SER N A 1123 SER CA A 1123 SER C 1.0 -110.0 -26.98 PHI 27 27 A 1123 SER N A 1123 SER CA A 1123 SER C A 1124 LYS N 1.0 110.0 186.14 PSI 28 28 A 1123 SER C A 1124 LYS N A 1124 LYS CA A 1124 LYS C 1.0 -90.0 -24.82 PHI 29 29 A 1124 LYS N A 1124 LYS CA A 1124 LYS C A 1125 ASN N 1.0 -60.0 -3.76 PSI 30 30 A 1124 LYS C A 1125 ASN N A 1125 ASN CA A 1125 ASN C 1.0 -120.0 -20.58 PHI 31 31 A 1125 ASN N A 1125 ASN CA A 1125 ASN C A 1126 TRP N 1.0 -50.0 18.16 PSI 32 32 A 1125 ASN C A 1126 TRP N A 1126 TRP CA A 1126 TRP C 1.0 -130.0 -78.16 PHI 33 33 A 1126 TRP N A 1126 TRP CA A 1126 TRP C A 1127 VAL N 1.0 -30.0 38.22 PSI 34 34 A 1126 TRP C A 1127 VAL N A 1127 VAL CA A 1127 VAL C 1.0 -120.0 -37.90 PHI 35 35 A 1127 VAL N A 1127 VAL CA A 1127 VAL C A 1128 CYS N 1.0 100.0 150.72 PSI 36 36 A 1145 SER C A 1146 THR N A 1146 THR CA A 1146 THR C 1.0 -90.0 -39.52 PHI 37 37 A 1146 THR C A 1147 GLU N A 1147 GLU CA A 1147 GLU C 1.0 -100.0 -49.42 PHI 38 38 A 1147 GLU N A 1147 GLU CA A 1147 GLU C A 1148 THR N 1.0 -70.0 0.20 PSI stop_ save_