data_nef_c30138_5kvn 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 BMRB 30140 BMRB 30141 BMRB 30142 BMRB 30143 BMRB 30144 BMRB 30145 BMRB 30146 PDB 5KVN 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 4 CYS SG 1 18 CYS SG 1 14 CYS SG 1 27 CYS SG 1 19 ASP C 1 20 DPR N 1 20 DPR C 1 21 PRO N 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 ASN start . . 2 A 2 ASP middle . . 3 A 3 LYS middle . . 4 A 4 CYS middle -HG . 5 A 5 LYS middle . . 6 A 6 GLU middle . . 7 A 7 LEU middle . . 8 A 8 LYS middle . . 9 A 9 LYS middle . . 10 A 10 ARG middle . . 11 A 11 TYR middle . . 12 A 12 PRO middle . false 13 A 13 ASN middle . . 14 A 14 CYS middle -HG . 15 A 15 GLU middle . . 16 A 16 VAL middle . . 17 A 17 ARG middle . . 18 A 18 CYS middle -HG . 19 A 19 ASP middle -OXT . 20 A 20 DPR middle -H,-OXT . 21 A 21 PRO middle -H false 22 A 22 ARG middle . . 23 A 23 TYR middle . . 24 A 24 GLU middle . . 25 A 25 VAL middle . . 26 A 26 HIS middle . . 27 A 27 CYS end -HG . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ASN HA H 1 4.348 0.004 A 1 ASN HBx H 1 3.028 0.005 A 1 ASN HBy H 1 3.059 0.009 A 1 ASN HD21 H 1 7.789 0.002 A 1 ASN HD22 H 1 7.084 0.001 A 1 ASN CA C 13 52.260 0.000 A 1 ASN CB C 13 37.479 0.001 A 1 ASN ND2 N 15 111.955 0.000 A 2 ASP H H 1 8.826 0.003 A 2 ASP HA H 1 4.706 0.004 A 2 ASP HBx H 1 2.724 0.005 A 2 ASP HBy H 1 2.853 0.004 A 2 ASP CA C 13 55.015 0.000 A 2 ASP CB C 13 40.333 0.000 A 2 ASP N N 15 121.477 0.000 A 3 LYS H H 1 8.504 0.002 A 3 LYS HA H 1 3.979 0.005 A 3 LYS HB2 H 1 1.693 0.005 A 3 LYS HB3 H 1 1.693 0.005 A 3 LYS HDx H 1 1.462 0.003 A 3 LYS HDy H 1 1.537 0.001 A 3 LYS HE2 H 1 2.702 0.007 A 3 LYS HE3 H 1 2.763 0.004 A 3 LYS HGx H 1 1.057 0.004 A 3 LYS HGy H 1 1.256 0.006 A 3 LYS CA C 13 58.858 0.000 A 3 LYS CD C 13 28.755 0.017 A 3 LYS CE C 13 41.761 0.014 A 3 LYS CG C 13 24.920 0.002 A 3 LYS N N 15 124.155 0.000 A 4 CYS H H 1 8.353 0.003 A 4 CYS HA H 1 4.157 0.003 A 4 CYS HB2 H 1 3.363 0.004 A 4 CYS HB3 H 1 3.363 0.005 A 4 CYS CA C 13 59.813 0.000 A 4 CYS CB C 13 40.700 0.000 A 4 CYS N N 15 118.196 0.000 A 5 LYS H H 1 7.795 0.004 A 5 LYS HA H 1 3.877 0.004 A 5 LYS HB2 H 1 1.861 0.005 A 5 LYS HB3 H 1 1.861 0.005 A 5 LYS HD2 H 1 1.697 0.005 A 5 LYS HD3 H 1 1.697 0.005 A 5 LYS HE2 H 1 2.990 0.000 A 5 LYS HE3 H 1 2.990 0.000 A 5 LYS HGx H 1 1.382 0.004 A 5 LYS HGy H 1 1.572 0.004 A 5 LYS CA C 13 59.817 0.000 A 5 LYS CB C 13 32.463 0.000 A 5 LYS CG C 13 25.542 0.008 A 5 LYS N N 15 117.897 0.000 A 6 GLU H H 1 8.055 0.004 A 6 GLU HA H 1 3.984 0.005 A 6 GLU HBx H 1 2.104 0.011 A 6 GLU HBy H 1 2.110 0.010 A 6 GLU HGx H 1 2.365 0.013 A 6 GLU HGy H 1 2.472 0.009 A 6 GLU CA C 13 58.864 0.000 A 6 GLU CB C 13 28.095 0.012 A 6 GLU CG C 13 33.883 0.009 A 6 GLU N N 15 118.645 0.000 A 7 LEU H H 1 8.173 0.004 A 7 LEU HA H 1 4.078 0.004 A 7 LEU HBx H 1 1.420 0.003 A 7 LEU HBy H 1 1.941 0.005 A 7 LEU HD1% H 1 0.798 0.004 A 7 LEU HD2% H 1 0.606 0.003 A 7 LEU HG H 1 1.669 0.005 A 7 LEU CA C 13 57.875 0.000 A 7 LEU CB C 13 42.755 0.004 A 7 LEU CD1 C 13 23.627 0.000 A 7 LEU CD2 C 13 25.718 0.000 A 7 LEU N N 15 121.588 0.000 A 8 LYS H H 1 8.024 0.001 A 8 LYS HA H 1 3.999 0.004 A 8 LYS HB2 H 1 1.873 0.001 A 8 LYS HB3 H 1 1.873 0.001 A 8 LYS HE2 H 1 3.046 0.000 A 8 LYS HE3 H 1 3.046 0.000 A 8 LYS CA C 13 59.476 0.000 A 8 LYS CB C 13 32.464 0.000 A 8 LYS N N 15 117.784 0.000 A 9 LYS H H 1 7.480 0.003 A 9 LYS HA H 1 4.026 0.004 A 9 LYS HB2 H 1 1.863 0.003 A 9 LYS HB3 H 1 1.863 0.003 A 9 LYS HD2 H 1 1.663 0.000 A 9 LYS HD3 H 1 1.663 0.000 A 9 LYS HE2 H 1 2.954 0.000 A 9 LYS HE3 H 1 2.954 0.000 A 9 LYS HGx H 1 1.420 0.000 A 9 LYS HGy H 1 1.530 0.001 A 9 LYS CA C 13 57.985 0.000 A 9 LYS CB C 13 32.488 0.000 A 9 LYS CG C 13 24.974 0.006 A 9 LYS N N 15 116.840 0.000 A 10 ARG H H 1 7.616 0.003 A 10 ARG HA H 1 3.921 0.002 A 10 ARG HBx H 1 1.497 0.003 A 10 ARG HBy H 1 1.674 0.004 A 10 ARG HDx H 1 2.930 0.004 A 10 ARG HDy H 1 3.006 0.002 A 10 ARG HE H 1 7.053 0.000 A 10 ARG HGx H 1 0.974 0.004 A 10 ARG HGy H 1 1.158 0.005 A 10 ARG HH11 H 1 7.051 0.001 A 10 ARG HH12 H 1 7.051 0.001 A 10 ARG CA C 13 57.463 0.000 A 10 ARG CB C 13 30.760 0.008 A 10 ARG CD C 13 43.245 0.004 A 10 ARG CG C 13 27.009 0.005 A 10 ARG N N 15 118.843 0.000 A 11 TYR H H 1 7.542 0.005 A 11 TYR HA H 1 5.098 0.005 A 11 TYR HBx H 1 2.698 0.005 A 11 TYR HBy H 1 3.134 0.009 A 11 TYR HDx H 1 7.230 0.005 A 11 TYR HDy H 1 7.230 0.005 A 11 TYR HEx H 1 6.737 0.000 A 11 TYR HEy H 1 6.737 0.000 A 11 TYR CA C 13 54.979 0.000 A 11 TYR CB C 13 37.709 0.032 A 11 TYR N N 15 116.364 0.000 A 12 PRO HA H 1 4.531 0.002 A 12 PRO HBx H 1 2.011 0.006 A 12 PRO HBy H 1 2.295 0.005 A 12 PRO HDx H 1 3.365 0.006 A 12 PRO HDy H 1 3.582 0.004 A 12 PRO HGx H 1 1.901 0.006 A 12 PRO HGy H 1 2.014 0.007 A 12 PRO CA C 13 64.925 0.000 A 12 PRO CB C 13 31.935 0.015 A 12 PRO CD C 13 50.424 0.001 A 12 PRO CG C 13 27.241 0.005 A 13 ASN H H 1 8.681 0.002 A 13 ASN HA H 1 4.966 0.006 A 13 ASN HBx H 1 2.839 0.004 A 13 ASN HBy H 1 3.047 0.005 A 13 ASN HD21 H 1 7.647 0.002 A 13 ASN HD22 H 1 6.991 0.003 A 13 ASN CA C 13 52.862 0.000 A 13 ASN CB C 13 38.325 0.013 A 13 ASN N N 15 114.412 0.000 A 13 ASN ND2 N 15 113.433 0.002 A 14 CYS H H 1 7.574 0.003 A 14 CYS HA H 1 5.167 0.005 A 14 CYS HBx H 1 2.527 0.003 A 14 CYS HBy H 1 3.328 0.005 A 14 CYS CB C 13 48.403 0.008 A 14 CYS N N 15 117.025 0.000 A 15 GLU H H 1 8.459 0.003 A 15 GLU HA H 1 4.579 0.003 A 15 GLU HB2 H 1 2.176 0.003 A 15 GLU HB3 H 1 2.176 0.003 A 15 GLU HGx H 1 2.356 0.009 A 15 GLU HGy H 1 2.514 0.007 A 15 GLU CA C 13 55.425 0.000 A 15 GLU CB C 13 29.212 0.000 A 15 GLU CG C 13 33.267 0.002 A 15 GLU N N 15 121.542 0.000 A 16 VAL H H 1 8.786 0.003 A 16 VAL HA H 1 4.847 0.010 A 16 VAL HB H 1 1.977 0.005 A 16 VAL HG1% H 1 0.923 0.003 A 16 VAL HG2% H 1 0.923 0.003 A 16 VAL CA C 13 61.402 0.000 A 16 VAL CB C 13 33.913 0.000 A 16 VAL CG1 C 13 21.746 0.000 A 16 VAL CG2 C 13 21.746 0.000 A 17 ARG H H 1 9.069 0.004 A 17 ARG HA H 1 4.675 0.004 A 17 ARG HBx H 1 1.723 0.002 A 17 ARG HBy H 1 1.811 0.009 A 17 ARG HD2 H 1 3.157 0.003 A 17 ARG HD3 H 1 3.157 0.003 A 17 ARG HE H 1 7.240 0.000 A 17 ARG HGx H 1 1.509 0.003 A 17 ARG HGy H 1 1.605 0.003 A 17 ARG HH11 H 1 7.234 0.003 A 17 ARG HH12 H 1 7.234 0.003 A 17 ARG CA C 13 54.594 0.000 A 17 ARG CB C 13 31.896 0.000 A 17 ARG CG C 13 27.362 0.005 A 17 ARG N N 15 127.749 0.000 A 18 CYS H H 1 8.901 0.004 A 18 CYS HA H 1 4.750 0.009 A 18 CYS HBx H 1 3.163 0.004 A 18 CYS HBy H 1 3.681 0.004 A 18 CYS CA C 13 53.950 0.000 A 18 CYS CB C 13 45.132 0.009 A 18 CYS N N 15 123.119 0.000 A 19 ASP H H 1 8.542 0.002 A 19 ASP HA H 1 5.162 0.006 A 19 ASP HBx H 1 2.509 0.008 A 19 ASP HBy H 1 2.702 0.005 A 19 ASP CB C 13 40.126 0.002 A 19 ASP N N 15 123.282 0.000 A 20 DPR HA H 1 4.687 0.004 A 20 DPR HBy H 1 2.313 0.002 A 20 DPR HBx H 1 1.931 0.002 A 20 DPR HDy H 1 3.904 0.005 A 20 DPR HDx H 1 3.493 0.003 A 20 DPR HGy H 1 2.172 0.003 A 20 DPR HGx H 1 2.033 0.004 A 20 DPR CA C 13 61.387 0.000 A 20 DPR CB C 13 30.523 0.007 A 20 DPR CD C 13 50.858 0.004 A 20 DPR CG C 13 27.906 0.031 A 21 PRO HA H 1 4.591 0.003 A 21 PRO HBx H 1 2.182 0.022 A 21 PRO HBy H 1 2.209 0.004 A 21 PRO HDx H 1 3.703 0.004 A 21 PRO HDy H 1 3.954 0.003 A 21 PRO HGx H 1 1.860 0.002 A 21 PRO HGy H 1 2.092 0.003 A 21 PRO CA C 13 63.403 0.000 A 21 PRO CB C 13 31.970 0.000 A 21 PRO CD C 13 50.058 0.002 A 21 PRO CG C 13 26.271 0.005 A 22 ARG H H 1 7.642 0.004 A 22 ARG HA H 1 4.403 0.004 A 22 ARG HB2 H 1 1.806 0.009 A 22 ARG HB3 H 1 1.806 0.009 A 22 ARG HD2 H 1 3.196 0.000 A 22 ARG HD3 H 1 3.196 0.000 A 22 ARG HE H 1 7.223 0.000 A 22 ARG HG2 H 1 1.536 0.008 A 22 ARG HG3 H 1 1.536 0.008 A 22 ARG HH11 H 1 7.228 0.000 A 22 ARG HH12 H 1 7.228 0.000 A 22 ARG CA C 13 55.317 0.000 A 22 ARG N N 15 121.365 0.000 A 23 TYR H H 1 8.216 0.004 A 23 TYR HA H 1 5.197 0.004 A 23 TYR HBx H 1 2.722 0.004 A 23 TYR HBy H 1 2.778 0.004 A 23 TYR HDx H 1 6.991 0.007 A 23 TYR HDy H 1 6.991 0.007 A 23 TYR HEx H 1 6.742 0.000 A 23 TYR HEy H 1 6.742 0.000 A 23 TYR CA C 13 56.130 0.000 A 23 TYR CB C 13 40.914 0.002 A 23 TYR N N 15 120.935 0.000 A 24 GLU H H 1 8.787 0.002 A 24 GLU HA H 1 4.642 0.004 A 24 GLU HB2 H 1 1.923 0.005 A 24 GLU HB3 H 1 1.923 0.005 A 24 GLU HG2 H 1 2.298 0.006 A 24 GLU HG3 H 1 2.298 0.006 A 24 GLU CA C 13 54.794 0.000 A 24 GLU CB C 13 32.137 0.000 A 24 GLU CG C 13 33.381 0.000 A 25 VAL H H 1 8.603 0.003 A 25 VAL HA H 1 4.605 0.004 A 25 VAL HB H 1 1.711 0.004 A 25 VAL HG1% H 1 0.732 0.004 A 25 VAL HG2% H 1 0.294 0.004 A 25 VAL CA C 13 61.331 0.000 A 25 VAL CB C 13 33.981 0.000 A 25 VAL CG1 C 13 21.238 0.000 A 25 VAL CG2 C 13 21.361 0.000 A 25 VAL N N 15 123.888 0.000 A 26 HIS H H 1 9.136 0.002 A 26 HIS HA H 1 4.990 0.006 A 26 HIS HBx H 1 3.150 0.005 A 26 HIS HBy H 1 3.340 0.005 A 26 HIS HD2 H 1 7.230 0.004 A 26 HIS HE1 H 1 8.599 0.000 A 26 HIS CA C 13 54.622 0.000 A 26 HIS CB C 13 29.986 0.002 A 26 HIS N N 15 126.152 0.000 A 27 CYS H H 1 8.989 0.004 A 27 CYS HA H 1 4.699 0.004 A 27 CYS HBx H 1 2.743 0.004 A 27 CYS HBy H 1 3.291 0.005 A 27 CYS CA C 13 54.322 0.000 A 27 CYS CB C 13 43.642 0.005 A 27 CYS N N 15 131.145 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 ASN HA A 2 ASP H 1.0 1.8 3.56 2 2 A 2 ASP H A 2 ASP HBx 1.0 1.8 4.03 3 3 A 2 ASP H A 2 ASP HBy 1.0 1.8 4.03 4 4 A 8 LYS HA A 11 TYR HBx 1.0 1.8 4.77 5 5 A 3 LYS H A 3 LYS HGx 1.0 1.8 4.68 6 6 A 3 LYS H A 3 LYS HGy 1.0 1.8 4.68 7 7 A 3 LYS H A 2 ASP HA 1.0 1.8 3.11 8 8 A 3 LYS H A 4 CYS H 1.0 1.8 4.04 9 9 A 4 CYS H A 4 CYS HB2 1.0 1.8 2.99 10 10 A 4 CYS H A 4 CYS HB3 1.0 1.8 3.34 11 11 A 4 CYS H A 3 LYS HB2 1.0 1.8 4.35 12 12 A 4 CYS H A 3 LYS HB3 1.0 1.8 4.35 13 13 A 2 ASP HA A 4 CYS H 1.0 1.8 4.80 14 14 A 4 CYS H A 23 TYR HE% 1.0 1.8 4.76 15 15 A 4 CYS H A 5 LYS H 1.0 1.8 3.46 16 16 A 4 CYS H A 6 GLU H 1.0 1.8 4.58 17 17 A 5 LYS H A 5 LYS HD2 1.0 1.8 5.50 18 18 A 5 LYS H A 5 LYS HD3 1.0 1.8 5.50 19 19 A 4 CYS HB3 A 5 LYS H 1.0 1.8 3.18 20 20 A 5 LYS H A 3 LYS HA 1.0 1.8 4.93 21 21 A 2 ASP HA A 5 LYS H 1.0 1.8 4.86 22 22 A 5 LYS H A 6 GLU H 1.0 1.8 3.67 23 23 A 6 GLU HA A 6 GLU HGx 1.0 1.8 4.09 24 24 A 6 GLU HA A 6 GLU HGy 1.0 1.8 4.09 25 25 A 6 GLU H A 3 LYS HA 1.0 1.8 3.84 26 26 A 7 LEU HA A 10 ARG HBx 1.0 1.8 3.91 27 27 A 7 LEU HA A 7 LEU HD1% 1.0 1.8 4.19 28 28 A 7 LEU HA A 7 LEU HD2% 1.0 1.8 4.19 29 29 A 7 LEU HBx A 7 LEU HD1% 1.0 1.8 4.02 30 30 A 7 LEU HBx A 7 LEU HD2% 1.0 1.8 4.02 31 31 A 7 LEU HBy A 7 LEU HD2% 1.0 1.8 3.68 32 32 A 7 LEU HBy A 7 LEU HD1% 1.0 1.8 3.68 33 33 A 7 LEU H A 7 LEU HD1% 1.0 1.8 4.67 34 34 A 7 LEU H A 7 LEU HD2% 1.0 1.8 4.67 35 35 A 7 LEU HBy A 7 LEU H 1.0 1.8 3.77 36 36 A 7 LEU H A 7 LEU HG 1.0 1.8 3.40 37 37 A 7 LEU HBx A 7 LEU H 1.0 1.8 3.21 38 38 A 7 LEU H A 4 CYS HA 1.0 1.8 4.44 39 39 A 3 LYS HA A 7 LEU H 1.0 1.8 4.64 40 40 A 6 GLU H A 7 LEU H 1.0 1.8 3.43 41 41 A 7 LEU H A 8 LYS H 1.0 1.8 3.35 42 42 A 5 LYS H A 7 LEU H 1.0 1.8 4.63 43 43 A 7 LEU H A 9 LYS H 1.0 1.8 4.61 44 44 A 7 LEU HBy A 8 LYS H 1.0 1.8 3.98 45 45 A 8 LYS H A 8 LYS HB2 1.0 1.8 3.51 46 46 A 8 LYS H A 8 LYS HB3 1.0 1.8 3.51 47 47 A 8 LYS H A 5 LYS HA 1.0 1.8 4.05 48 48 A 4 CYS HA A 8 LYS H 1.0 1.8 5.23 49 49 A 8 LYS H A 9 LYS H 1.0 1.8 3.44 50 50 A 9 LYS H A 9 LYS HB2 1.0 1.8 3.30 51 51 A 9 LYS H A 9 LYS HB3 1.0 1.8 3.30 52 52 A 9 LYS H A 5 LYS HA 1.0 1.8 5.07 53 53 A 9 LYS H A 10 ARG H 1.0 1.8 3.66 54 54 A 10 ARG HA A 10 ARG HDx 1.0 1.8 4.79 55 55 A 10 ARG HA A 10 ARG HDy 1.0 1.8 4.79 56 56 A 10 ARG H A 10 ARG HGx 1.0 1.8 4.78 57 57 A 10 ARG H A 10 ARG HGy 1.0 1.8 4.78 58 58 A 10 ARG H A 10 ARG HBy 1.0 1.8 3.60 59 59 A 10 ARG H A 10 ARG HBx 1.0 1.8 3.60 60 60 A 10 ARG H A 9 LYS HB2 1.0 1.8 4.51 61 61 A 10 ARG H A 9 LYS HB3 1.0 1.8 4.51 62 62 A 22 ARG H A 22 ARG HB2 1.0 1.8 3.82 63 63 A 22 ARG H A 22 ARG HB3 1.0 1.8 3.82 64 64 A 7 LEU HA A 10 ARG H 1.0 1.8 4.00 65 65 A 8 LYS H A 10 ARG H 1.0 1.8 4.48 66 66 A 11 TYR H A 10 ARG HBy 1.0 1.8 4.33 67 67 A 11 TYR H A 10 ARG HBx 1.0 1.8 4.33 68 68 A 11 TYR HBx A 11 TYR H 1.0 1.8 3.55 69 69 A 11 TYR H A 11 TYR HBy 1.0 1.8 4.06 70 70 A 8 LYS HA A 11 TYR H 1.0 1.8 4.35 71 71 A 11 TYR HA A 11 TYR HD% 1.0 1.8 3.29 72 72 A 7 LEU HBx A 11 TYR HD% 1.0 1.8 4.47 73 73 A 11 TYR HD% A 10 ARG HBx 1.0 1.8 4.12 74 74 A 11 TYR HD% A 10 ARG HBy 1.0 1.8 4.12 75 75 A 7 LEU HBy A 11 TYR HD% 1.0 1.8 4.00 76 76 A 7 LEU HBx A 11 TYR HE% 1.0 1.8 5.31 77 77 A 11 TYR HE% A 10 ARG HBx 1.0 1.8 4.18 78 78 A 11 TYR HE% A 10 ARG HBy 1.0 1.8 4.18 79 79 A 11 TYR HD% A 7 LEU HD1% 1.0 1.8 4.38 80 80 A 11 TYR HD% A 25 VAL HG2% 1.0 1.8 3.69 81 81 A 11 TYR HE% A 7 LEU HD1% 1.0 1.8 4.34 82 82 A 11 TYR HE% A 25 VAL HG1% 1.0 1.8 4.02 83 83 A 11 TYR HE% A 7 LEU HD2% 1.0 1.8 4.34 84 84 A 11 TYR HE% A 25 VAL HG2% 1.0 1.8 4.31 85 85 A 11 TYR HA A 12 PRO HDx 1.0 1.8 3.67 86 86 A 11 TYR HA A 12 PRO HDy 1.0 1.8 3.67 87 87 A 25 VAL HG2% A 26 HIS HA 1.0 1.8 4.72 88 88 A 13 ASN H A 13 ASN HBx 1.0 1.8 4.00 89 89 A 13 ASN H A 13 ASN HBy 1.0 1.8 4.00 90 90 A 11 TYR HA A 13 ASN H 1.0 1.8 4.61 91 91 A 13 ASN H A 14 CYS H 1.0 1.8 3.30 92 92 A 14 CYS H A 14 CYS HBy 1.0 1.8 4.13 93 93 A 14 CYS H A 14 CYS HBx 1.0 1.8 4.13 94 94 A 14 CYS H A 12 PRO HA 1.0 1.8 4.54 95 95 A 15 GLU H A 14 CYS HBy 1.0 1.8 3.76 96 96 A 15 GLU H A 15 GLU HB2 1.0 1.8 3.67 97 97 A 15 GLU H A 15 GLU HB3 1.0 1.8 3.67 98 98 A 15 GLU H A 14 CYS HBx 1.0 1.8 3.76 99 99 A 11 TYR HBy A 15 GLU H 1.0 1.8 5.31 100 100 A 15 GLU H A 27 CYS HA 1.0 1.8 4.23 101 101 A 15 GLU H A 14 CYS HA 1.0 1.8 3.16 102 102 A 15 GLU H A 26 HIS H 1.0 1.8 4.28 103 103 A 14 CYS H A 15 GLU H 1.0 1.8 4.83 104 104 A 15 GLU H A 16 VAL H 1.0 1.8 4.66 105 105 A 16 VAL H A 25 VAL HB 1.0 1.8 5.50 106 106 A 25 VAL HB A 24 GLU H 1.0 1.8 5.50 107 107 A 24 GLU H A 24 GLU HG2 1.0 1.8 5.49 108 108 A 24 GLU H A 24 GLU HG3 1.0 1.8 5.49 109 109 A 16 VAL H A 15 GLU HB2 1.0 1.8 5.11 110 110 A 16 VAL H A 15 GLU HB3 1.0 1.8 5.11 111 111 A 24 GLU H A 23 TYR HBx 1.0 1.8 4.36 112 112 A 24 GLU H A 23 TYR HBy 1.0 1.8 4.36 113 113 A 24 GLU H A 23 TYR HA 1.0 1.8 2.91 114 114 A 16 VAL H A 15 GLU HA 1.0 1.8 2.76 115 115 A 16 VAL H A 17 ARG H 1.0 1.8 4.28 116 116 A 17 ARG HA A 17 ARG HD2 1.0 1.8 5.50 117 117 A 17 ARG HA A 17 ARG HD3 1.0 1.8 5.50 118 118 A 25 VAL HG1% A 17 ARG H 1.0 1.8 5.44 119 119 A 17 ARG H A 17 ARG HBx 1.0 1.8 3.92 120 120 A 17 ARG H A 17 ARG HBy 1.0 1.8 3.92 121 121 A 17 ARG H A 17 ARG HGx 1.0 1.8 4.98 122 122 A 17 ARG H A 17 ARG HGy 1.0 1.8 4.98 123 123 A 17 ARG H A 25 VAL HA 1.0 1.8 4.33 124 124 A 17 ARG HA A 18 CYS H 1.0 1.8 2.80 125 125 A 18 CYS H A 17 ARG HBx 1.0 1.8 4.76 126 126 A 18 CYS H A 17 ARG HBy 1.0 1.8 4.76 127 127 A 18 CYS H A 17 ARG HGx 1.0 1.8 5.50 128 128 A 18 CYS H A 17 ARG HGy 1.0 1.8 5.50 129 129 A 18 CYS H A 19 ASP H 1.0 1.8 4.82 130 130 A 19 ASP H A 18 CYS HA 1.0 1.8 3.13 131 131 A 19 ASP H A 20 DPR HDy 1.0 1.8 5.26 132 132 A 19 ASP H A 18 CYS HBx 1.0 1.8 4.64 133 133 A 19 ASP H A 18 CYS HBy 1.0 1.8 4.64 134 134 A 22 ARG H A 19 ASP H 1.0 1.8 4.76 135 135 A 20 DPR HDy A 19 ASP HA 1.0 1.8 3.49 136 136 A 20 DPR HA A 21 PRO HDy 1.0 1.8 3.37 137 137 A 20 DPR HA A 21 PRO HDx 1.0 1.8 3.37 138 138 A 22 ARG H A 22 ARG HG2 1.0 1.8 5.50 139 139 A 22 ARG H A 22 ARG HG3 1.0 1.8 5.50 140 140 A 22 ARG H A 20 DPR HGy 1.0 1.8 5.50 141 141 A 22 ARG H A 20 DPR HA 1.0 1.8 4.45 142 142 A 23 TYR H A 22 ARG HG2 1.0 1.8 5.50 143 143 A 23 TYR H A 22 ARG HG3 1.0 1.8 5.50 144 144 A 23 TYR H A 22 ARG HA 1.0 1.8 2.90 145 145 A 22 ARG H A 23 TYR H 1.0 1.8 4.53 146 146 A 23 TYR H A 23 TYR HD% 1.0 1.8 3.95 147 147 A 23 TYR HA A 23 TYR HD% 1.0 1.8 3.70 148 148 A 23 TYR HE% A 18 CYS HA 1.0 1.8 5.05 149 149 A 22 ARG HA A 23 TYR HD% 1.0 1.8 4.30 150 150 A 4 CYS HA A 23 TYR HD% 1.0 1.8 4.35 151 151 A 7 LEU HA A 11 TYR HE% 1.0 1.8 4.71 152 152 A 11 TYR HE% A 10 ARG HDx 1.0 1.8 4.58 153 153 A 11 TYR HE% A 10 ARG HDy 1.0 1.8 4.58 154 154 A 4 CYS HB2 A 23 TYR HD% 1.0 1.8 4.39 155 155 A 4 CYS HB2 A 23 TYR HE% 1.0 1.8 3.45 156 156 A 7 LEU HBx A 23 TYR HD% 1.0 1.8 5.50 157 157 A 23 TYR HD% A 7 LEU HD1% 1.0 1.8 5.02 158 158 A 23 TYR HD% A 7 LEU HD2% 1.0 1.8 5.02 159 159 A 25 VAL HG2% A 14 CYS HBx 1.0 1.8 3.83 160 160 A 11 TYR HBy A 25 VAL HG2% 1.0 1.8 3.99 161 161 A 11 TYR HBx A 25 VAL HG2% 1.0 1.8 4.16 162 162 A 25 VAL HG2% A 14 CYS HBy 1.0 1.8 3.83 163 163 A 11 TYR HBy A 25 VAL HG1% 1.0 1.8 5.28 164 164 A 25 VAL HG1% A 25 VAL HA 1.0 1.8 3.36 165 165 A 25 VAL HG2% A 25 VAL HA 1.0 1.8 3.43 166 166 A 25 VAL HG1% A 25 VAL H 1.0 1.8 3.61 167 167 A 25 VAL HG2% A 25 VAL H 1.0 1.8 4.40 168 168 A 25 VAL H A 24 GLU HB2 1.0 1.8 5.11 169 169 A 25 VAL H A 24 GLU HB3 1.0 1.8 5.11 170 170 A 25 VAL HB A 25 VAL H 1.0 1.8 3.41 171 171 A 25 VAL H A 24 GLU HG2 1.0 1.8 5.50 172 172 A 25 VAL H A 24 GLU HG3 1.0 1.8 5.50 173 173 A 25 VAL H A 24 GLU HA 1.0 1.8 2.78 174 174 A 25 VAL HG1% A 26 HIS H 1.0 1.8 4.45 175 175 A 25 VAL HG2% A 27 CYS H 1.0 1.8 4.56 176 176 A 25 VAL HG2% A 26 HIS H 1.0 1.8 3.73 177 177 A 25 VAL HG2% A 15 GLU H 1.0 1.8 4.94 178 178 A 8 LYS H A 16 VAL HG1% 1.0 1.8 4.74 179 179 A 8 LYS H A 16 VAL HG2% 1.0 1.8 4.74 180 180 A 26 HIS H A 25 VAL HB 1.0 1.8 5.32 181 181 A 3 LYS H A 2 ASP HBx 1.0 1.8 4.55 182 182 A 3 LYS H A 2 ASP HBy 1.0 1.8 4.55 183 183 A 27 CYS H A 27 CYS HBx 1.0 1.8 4.00 184 184 A 27 CYS H A 27 CYS HBy 1.0 1.8 4.00 185 185 A 26 HIS H A 26 HIS HBx 1.0 1.8 3.66 186 186 A 26 HIS H A 26 HIS HBy 1.0 1.8 3.66 187 187 A 26 HIS H A 25 VAL HA 1.0 1.8 2.84 188 188 A 26 HIS H A 27 CYS H 1.0 1.8 4.63 189 189 A 7 LEU HA A 11 TYR HD% 1.0 1.8 3.83 190 190 A 8 LYS HA A 11 TYR HD% 1.0 1.8 5.24 191 191 A 26 HIS HA A 27 CYS H 1.0 1.8 2.83 192 192 A 8 LYS HA A 16 VAL HB 1.0 1.8 4.52 193 193 A 7 LEU HA A 10 ARG HBy 1.0 1.8 3.91 194 194 A 11 TYR HD% A 25 VAL HG1% 1.0 1.8 3.93 195 195 A 11 TYR HD% A 7 LEU HD2% 1.0 1.8 4.38 196 196 A 23 TYR HE% A 3 LYS HB2 1.0 1.8 4.63 197 197 A 23 TYR HE% A 3 LYS HB3 1.0 1.8 4.63 198 198 A 23 TYR HE% A 4 CYS HA 1.0 1.8 4.57 199 199 A 16 VAL HA A 16 VAL HG1% 1.0 1.8 3.62 200 200 A 16 VAL HA A 16 VAL HG2% 1.0 1.8 3.62 201 201 A 25 VAL HG1% A 16 VAL HA 1.0 1.8 4.80 202 202 A 23 TYR HE% A 23 TYR HA 1.0 1.8 4.96 203 203 A 18 CYS HA A 23 TYR HD% 1.0 1.8 4.19 204 204 A 23 TYR HD% A 3 LYS HB2 1.0 1.8 5.28 205 205 A 23 TYR HD% A 3 LYS HB3 1.0 1.8 5.28 206 206 A 25 VAL HG1% A 16 VAL HG1% 1.0 1.8 5.25 207 207 A 25 VAL HG1% A 16 VAL HG2% 1.0 1.8 5.25 208 208 A 25 VAL HG2% A 16 VAL HA 1.0 1.8 4.75 209 209 A 25 VAL HA A 16 VAL HG1% 1.0 1.8 4.40 210 210 A 25 VAL HA A 16 VAL HG2% 1.0 1.8 4.40 211 211 A 1 ASN HBx A 1 ASN HD22 1.0 1.8 3.22 212 211 A 1 ASN HBy A 1 ASN HD22 1.0 1.8 3.22 213 211 A 1 ASN HD21 A 1 ASN HBx 1.0 1.8 3.22 214 211 A 1 ASN HBy A 1 ASN HD21 1.0 1.8 3.22 215 212 A 2 ASP H A 1 ASN HBx 1.0 1.8 3.93 216 212 A 2 ASP H A 1 ASN HBy 1.0 1.8 3.93 217 213 A 2 ASP H A 2 ASP HBy 1.0 1.8 3.53 218 213 A 2 ASP H A 2 ASP HBx 1.0 1.8 3.53 219 214 A 3 LYS H A 2 ASP HBy 1.0 1.8 3.79 220 214 A 3 LYS H A 2 ASP HBx 1.0 1.8 3.79 221 215 A 5 LYS H A 2 ASP HBy 1.0 1.8 4.76 222 215 A 5 LYS H A 2 ASP HBx 1.0 1.8 4.76 223 216 A 3 LYS H A 3 LYS HB3 1.0 1.8 3.02 224 216 A 3 LYS H A 3 LYS HB2 1.0 1.8 3.02 225 217 A 3 LYS H A 3 LYS HGy 1.0 1.8 3.98 226 217 A 3 LYS H A 3 LYS HGx 1.0 1.8 3.98 227 218 A 4 CYS H A 3 LYS HB3 1.0 1.8 3.64 228 218 A 4 CYS H A 3 LYS HB2 1.0 1.8 3.64 229 219 A 23 TYR HD% A 3 LYS HB3 1.0 1.8 4.53 230 219 A 23 TYR HD% A 3 LYS HB2 1.0 1.8 4.53 231 220 A 23 TYR HE% A 3 LYS HB3 1.0 1.8 3.88 232 220 A 23 TYR HE% A 3 LYS HB2 1.0 1.8 3.88 233 221 A 23 TYR HE% A 3 LYS HGy 1.0 1.8 4.73 234 221 A 23 TYR HE% A 3 LYS HGx 1.0 1.8 4.73 235 222 A 23 TYR HE% A 3 LYS HE2 1.0 1.8 4.35 236 222 A 23 TYR HE% A 3 LYS HE3 1.0 1.8 4.35 237 223 A 5 LYS H A 5 LYS HB2 1.0 1.8 3.08 238 223 A 5 LYS H A 5 LYS HB3 1.0 1.8 3.08 239 224 A 5 LYS H A 5 LYS HGx 1.0 1.8 3.74 240 224 A 5 LYS H A 5 LYS HGy 1.0 1.8 3.74 241 225 A 5 LYS H A 5 LYS HD3 1.0 1.8 4.74 242 225 A 5 LYS H A 5 LYS HD2 1.0 1.8 4.74 243 226 A 5 LYS H A 6 GLU HBx 1.0 1.8 5.10 244 226 A 5 LYS H A 6 GLU HBy 1.0 1.8 5.10 245 227 A 6 GLU H A 6 GLU HBx 1.0 1.8 3.12 246 227 A 6 GLU H A 6 GLU HBy 1.0 1.8 3.12 247 228 A 6 GLU H A 6 GLU HGx 1.0 1.8 3.87 248 228 A 6 GLU H A 6 GLU HGy 1.0 1.8 3.87 249 229 A 7 LEU H A 6 GLU HBx 1.0 1.8 3.58 250 229 A 7 LEU H A 6 GLU HBy 1.0 1.8 3.58 251 230 A 7 LEU H A 7 LEU HD2% 1.0 1.8 4.04 252 230 A 7 LEU H A 7 LEU HD1% 1.0 1.8 4.04 253 231 A 7 LEU H A 16 VAL HG1% 1.0 1.8 4.99 254 231 A 7 LEU H A 16 VAL HG2% 1.0 1.8 4.99 255 232 A 7 LEU HA A 7 LEU HD2% 1.0 1.8 3.15 256 232 A 7 LEU HA A 7 LEU HD1% 1.0 1.8 3.15 257 233 A 7 LEU HA A 10 ARG HBy 1.0 1.8 3.38 258 233 A 7 LEU HA A 10 ARG HBx 1.0 1.8 3.38 259 234 A 11 TYR HD% A 7 LEU HD2% 1.0 1.8 3.58 260 234 A 11 TYR HD% A 7 LEU HD1% 1.0 1.8 3.58 261 235 A 11 TYR HE% A 7 LEU HD2% 1.0 1.8 3.19 262 235 A 11 TYR HE% A 7 LEU HD1% 1.0 1.8 3.19 263 236 A 23 TYR HD% A 7 LEU HD2% 1.0 1.8 3.57 264 236 A 23 TYR HD% A 7 LEU HD1% 1.0 1.8 3.57 265 237 A 23 TYR HE% A 7 LEU HD2% 1.0 1.8 4.70 266 237 A 23 TYR HE% A 7 LEU HD1% 1.0 1.8 4.70 267 238 A 8 LYS H A 8 LYS HB3 1.0 1.8 2.95 268 238 A 8 LYS H A 8 LYS HB2 1.0 1.8 2.95 269 239 A 8 LYS H A 16 VAL HG1% 1.0 1.8 3.91 270 239 A 8 LYS H A 16 VAL HG2% 1.0 1.8 3.91 271 240 A 8 LYS HA A 16 VAL HG1% 1.0 1.8 3.29 272 240 A 8 LYS HA A 16 VAL HG2% 1.0 1.8 3.29 273 241 A 9 LYS H A 9 LYS HB3 1.0 1.8 2.80 274 241 A 9 LYS H A 9 LYS HB2 1.0 1.8 2.80 275 242 A 9 LYS H A 9 LYS HGx 1.0 1.8 4.72 276 242 A 9 LYS H A 9 LYS HGy 1.0 1.8 4.72 277 243 A 9 LYS H A 10 ARG HBy 1.0 1.8 4.46 278 243 A 9 LYS H A 10 ARG HBx 1.0 1.8 4.46 279 244 A 10 ARG H A 9 LYS HB3 1.0 1.8 3.92 280 244 A 10 ARG H A 9 LYS HB2 1.0 1.8 3.92 281 245 A 10 ARG H A 10 ARG HBy 1.0 1.8 3.05 282 245 A 10 ARG H A 10 ARG HBx 1.0 1.8 3.05 283 246 A 10 ARG H A 10 ARG HGy 1.0 1.8 4.14 284 246 A 10 ARG H A 10 ARG HGx 1.0 1.8 4.14 285 247 A 10 ARG HA A 10 ARG HDy 1.0 1.8 4.06 286 247 A 10 ARG HA A 10 ARG HDx 1.0 1.8 4.06 287 248 A 11 TYR H A 10 ARG HBy 1.0 1.8 3.68 288 248 A 11 TYR H A 10 ARG HBx 1.0 1.8 3.68 289 249 A 11 TYR HD% A 10 ARG HBy 1.0 1.8 3.43 290 249 A 11 TYR HD% A 10 ARG HBx 1.0 1.8 3.43 291 250 A 11 TYR HD% A 10 ARG HGy 1.0 1.8 5.34 292 250 A 11 TYR HD% A 10 ARG HGx 1.0 1.8 5.34 293 251 A 11 TYR HE% A 10 ARG HGy 1.0 1.8 4.78 294 251 A 11 TYR HE% A 10 ARG HGx 1.0 1.8 4.78 295 252 A 11 TYR HE% A 10 ARG HDy 1.0 1.8 4.02 296 252 A 11 TYR HE% A 10 ARG HDx 1.0 1.8 4.02 297 253 A 11 TYR H A 12 PRO HDy 1.0 1.8 4.52 298 253 A 11 TYR H A 12 PRO HDx 1.0 1.8 4.52 299 254 A 11 TYR H A 16 VAL HG1% 1.0 1.8 4.57 300 254 A 11 TYR H A 16 VAL HG2% 1.0 1.8 4.57 301 255 A 11 TYR HA A 12 PRO HDy 1.0 1.8 3.03 302 255 A 11 TYR HA A 12 PRO HDx 1.0 1.8 3.03 303 256 A 11 TYR HD% A 12 PRO HDy 1.0 1.8 4.90 304 256 A 11 TYR HD% A 12 PRO HDx 1.0 1.8 4.90 305 257 A 11 TYR HD% A 16 VAL HG1% 1.0 1.8 3.73 306 257 A 11 TYR HD% A 16 VAL HG2% 1.0 1.8 3.73 307 258 A 13 ASN H A 12 PRO HGx 1.0 1.8 3.96 308 258 A 13 ASN H A 12 PRO HGy 1.0 1.8 3.96 309 259 A 13 ASN H A 12 PRO HDy 1.0 1.8 3.92 310 259 A 13 ASN H A 12 PRO HDx 1.0 1.8 3.92 311 260 A 13 ASN H A 13 ASN HBx 1.0 1.8 3.30 312 260 A 13 ASN H A 13 ASN HBy 1.0 1.8 3.30 313 261 A 13 ASN HBy A 13 ASN HD22 1.0 1.8 3.17 314 261 A 13 ASN HD21 A 13 ASN HBx 1.0 1.8 3.17 315 261 A 13 ASN HBy A 13 ASN HD21 1.0 1.8 3.17 316 261 A 13 ASN HBx A 13 ASN HD22 1.0 1.8 3.17 317 262 A 14 CYS H A 14 CYS HBx 1.0 1.8 3.31 318 262 A 14 CYS H A 14 CYS HBy 1.0 1.8 3.31 319 263 A 15 GLU H A 14 CYS HBx 1.0 1.8 3.00 320 263 A 15 GLU H A 14 CYS HBy 1.0 1.8 3.00 321 264 A 25 VAL HG1% A 14 CYS HBx 1.0 1.8 5.34 322 264 A 25 VAL HG1% A 14 CYS HBy 1.0 1.8 5.34 323 265 A 25 VAL HG2% A 14 CYS HBx 1.0 1.8 3.35 324 265 A 25 VAL HG2% A 14 CYS HBy 1.0 1.8 3.35 325 266 A 26 HIS H A 14 CYS HBx 1.0 1.8 4.19 326 266 A 26 HIS H A 14 CYS HBy 1.0 1.8 4.19 327 267 A 27 CYS H A 14 CYS HBx 1.0 1.8 5.23 328 267 A 27 CYS H A 14 CYS HBy 1.0 1.8 5.23 329 268 A 27 CYS HA A 14 CYS HBx 1.0 1.8 3.63 330 268 A 27 CYS HA A 14 CYS HBy 1.0 1.8 3.63 331 269 A 15 GLU H A 15 GLU HB3 1.0 1.8 3.00 332 269 A 15 GLU H A 15 GLU HB2 1.0 1.8 3.00 333 270 A 15 GLU H A 15 GLU HGx 1.0 1.8 5.17 334 270 A 15 GLU H A 15 GLU HGy 1.0 1.8 5.17 335 271 A 15 GLU H A 16 VAL HG1% 1.0 1.8 5.14 336 271 A 15 GLU H A 16 VAL HG2% 1.0 1.8 5.14 337 272 A 16 VAL H A 15 GLU HB3 1.0 1.8 4.44 338 272 A 16 VAL H A 15 GLU HB2 1.0 1.8 4.44 339 273 A 26 HIS H A 15 GLU HB3 1.0 1.8 4.03 340 273 A 26 HIS H A 15 GLU HB2 1.0 1.8 4.03 341 274 A 15 GLU HB3 A 26 HIS HBy 1.0 1.8 3.39 342 274 A 15 GLU HB2 A 26 HIS HBy 1.0 1.8 3.39 343 274 A 26 HIS HBx A 15 GLU HB3 1.0 1.8 3.39 344 274 A 15 GLU HB2 A 26 HIS HBx 1.0 1.8 3.39 345 275 A 16 VAL H A 15 GLU HGx 1.0 1.8 4.76 346 275 A 16 VAL H A 15 GLU HGy 1.0 1.8 4.76 347 276 A 16 VAL H A 16 VAL HG1% 1.0 1.8 3.34 348 276 A 16 VAL H A 16 VAL HG2% 1.0 1.8 3.34 349 277 A 16 VAL HA A 16 VAL HG1% 1.0 1.8 3.09 350 277 A 16 VAL HA A 16 VAL HG2% 1.0 1.8 3.09 351 278 A 17 ARG H A 16 VAL HG1% 1.0 1.8 3.47 352 278 A 17 ARG H A 16 VAL HG2% 1.0 1.8 3.47 353 279 A 18 CYS H A 16 VAL HG1% 1.0 1.8 5.12 354 279 A 18 CYS H A 16 VAL HG2% 1.0 1.8 5.12 355 280 A 25 VAL HA A 16 VAL HG1% 1.0 1.8 3.76 356 280 A 25 VAL HA A 16 VAL HG2% 1.0 1.8 3.76 357 281 A 25 VAL HG1% A 16 VAL HG1% 1.0 1.8 4.56 358 281 A 25 VAL HG1% A 16 VAL HG2% 1.0 1.8 4.56 359 282 A 25 VAL HG2% A 16 VAL HG1% 1.0 1.8 3.48 360 282 A 25 VAL HG2% A 16 VAL HG2% 1.0 1.8 3.48 361 283 A 26 HIS H A 16 VAL HG1% 1.0 1.8 4.62 362 283 A 26 HIS H A 16 VAL HG2% 1.0 1.8 4.62 363 284 A 17 ARG H A 17 ARG HBy 1.0 1.8 3.37 364 284 A 17 ARG H A 17 ARG HBx 1.0 1.8 3.37 365 285 A 17 ARG H A 17 ARG HGy 1.0 1.8 4.33 366 285 A 17 ARG H A 17 ARG HGx 1.0 1.8 4.33 367 286 A 17 ARG HA A 17 ARG HD3 1.0 1.8 4.67 368 286 A 17 ARG HA A 17 ARG HD2 1.0 1.8 4.67 369 287 A 18 CYS H A 17 ARG HBy 1.0 1.8 3.96 370 287 A 18 CYS H A 17 ARG HBx 1.0 1.8 3.96 371 288 A 18 CYS H A 17 ARG HGy 1.0 1.8 4.65 372 288 A 18 CYS H A 17 ARG HGx 1.0 1.8 4.65 373 289 A 18 CYS H A 18 CYS HBx 1.0 1.8 3.27 374 289 A 18 CYS H A 18 CYS HBy 1.0 1.8 3.27 375 290 A 19 ASP H A 18 CYS HBx 1.0 1.8 3.95 376 290 A 19 ASP H A 18 CYS HBy 1.0 1.8 3.95 377 291 A 23 TYR HD% A 18 CYS HBx 1.0 1.8 4.40 378 291 A 23 TYR HD% A 18 CYS HBy 1.0 1.8 4.40 379 292 A 23 TYR HE% A 18 CYS HBx 1.0 1.8 3.83 380 292 A 23 TYR HE% A 18 CYS HBy 1.0 1.8 3.83 381 293 A 19 ASP H A 19 ASP HBx 1.0 1.8 3.49 382 293 A 19 ASP H A 19 ASP HBy 1.0 1.8 3.49 383 294 A 19 ASP H A 22 ARG HB3 1.0 1.8 4.61 384 294 A 19 ASP H A 22 ARG HB2 1.0 1.8 4.61 385 295 A 22 ARG H A 19 ASP HBx 1.0 1.8 4.87 386 295 A 22 ARG H A 19 ASP HBy 1.0 1.8 4.87 387 296 A 20 DPR HA A 21 PRO HDy 1.0 1.8 2.89 388 296 A 20 DPR HA A 21 PRO HDx 1.0 1.8 2.89 389 297 A 22 ARG H A 21 PRO HDy 1.0 1.8 3.66 390 297 A 22 ARG H A 21 PRO HDx 1.0 1.8 3.66 391 298 A 22 ARG H A 22 ARG HB3 1.0 1.8 3.19 392 298 A 22 ARG H A 22 ARG HB2 1.0 1.8 3.19 393 299 A 22 ARG H A 22 ARG HG3 1.0 1.8 4.74 394 299 A 22 ARG H A 22 ARG HG2 1.0 1.8 4.74 395 300 A 23 TYR H A 22 ARG HG3 1.0 1.8 4.76 396 300 A 23 TYR H A 22 ARG HG2 1.0 1.8 4.76 397 301 A 23 TYR H A 23 TYR HBy 1.0 1.8 3.50 398 301 A 23 TYR H A 23 TYR HBx 1.0 1.8 3.50 399 302 A 24 GLU H A 23 TYR HBy 1.0 1.8 3.64 400 302 A 24 GLU H A 23 TYR HBx 1.0 1.8 3.64 401 303 A 24 GLU H A 24 GLU HG2 1.0 1.8 4.69 402 303 A 24 GLU H A 24 GLU HG3 1.0 1.8 4.69 403 304 A 25 VAL H A 24 GLU HB3 1.0 1.8 4.47 404 304 A 25 VAL H A 24 GLU HB2 1.0 1.8 4.47 405 305 A 25 VAL H A 24 GLU HG2 1.0 1.8 4.81 406 305 A 25 VAL H A 24 GLU HG3 1.0 1.8 4.81 407 306 A 25 VAL HG1% A 26 HIS HBy 1.0 1.8 5.34 408 306 A 25 VAL HG1% A 26 HIS HBx 1.0 1.8 5.34 409 307 A 27 CYS H A 27 CYS HBx 1.0 1.8 3.20 410 307 A 27 CYS H A 27 CYS HBy 1.0 1.8 3.20 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 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 7 LEU H A 3 LYS O 1.0 0.0 2.0 2 2 A 3 LYS O A 7 LEU N 1.0 0.0 3.0 3 3 A 8 LYS H A 4 CYS O 1.0 0.0 2.0 4 4 A 4 CYS O A 8 LYS N 1.0 0.0 3.0 5 5 A 10 ARG H A 6 GLU O 1.0 0.0 2.0 6 6 A 6 GLU O A 10 ARG N 1.0 0.0 3.0 7 7 A 11 TYR H A 7 LEU O 1.0 0.0 2.0 8 8 A 7 LEU O A 11 TYR N 1.0 0.0 3.0 9 9 A 15 GLU H A 26 HIS O 1.0 0.0 2.0 10 10 A 26 HIS O A 15 GLU N 1.0 0.0 3.0 11 11 A 26 HIS H A 15 GLU O 1.0 0.0 2.0 12 12 A 15 GLU O A 26 HIS N 1.0 0.0 3.0 13 13 A 17 ARG H A 24 GLU O 1.0 0.0 2.0 14 14 A 24 GLU O A 17 ARG N 1.0 0.0 3.0 15 15 A 24 GLU H A 17 ARG O 1.0 0.0 2.0 16 16 A 17 ARG O A 24 GLU N 1.0 0.0 3.0 17 17 A 19 ASP H A 22 ARG O 1.0 0.0 2.0 18 18 A 22 ARG O A 19 ASP N 1.0 0.0 3.0 19 19 A 22 ARG H A 19 ASP O 1.0 0.0 2.0 20 20 A 19 ASP O A 22 ARG N 1.0 0.0 3.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 2 ASP C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -100.0 -40.0 PHI 2 2 A 3 LYS N A 3 LYS CA A 3 LYS C A 4 CYS N 1.0 -60.0 0.0 PSI 3 3 A 3 LYS C A 4 CYS N A 4 CYS CA A 4 CYS C 1.0 -90.0 -30.0 PHI 4 4 A 4 CYS N A 4 CYS CA A 4 CYS C A 5 LYS N 1.0 -70.0 -10.0 PSI 5 5 A 4 CYS C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -90.0 -30.0 PHI 6 6 A 5 LYS N A 5 LYS CA A 5 LYS C A 6 GLU N 1.0 -70.0 -10.0 PSI 7 7 A 5 LYS C A 6 GLU N A 6 GLU CA A 6 GLU C 1.0 -100.0 -40.0 PHI 8 8 A 6 GLU N A 6 GLU CA A 6 GLU C A 7 LEU N 1.0 -70.0 -10.0 PSI 9 9 A 6 GLU C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -90.0 -30.0 PHI 10 10 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 LYS N 1.0 -70.0 -10.0 PSI 11 11 A 7 LEU C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -90.0 -30.0 PHI 12 12 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 LYS N 1.0 -70.0 -10.0 PSI 13 13 A 8 LYS C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -100.0 -40.0 PHI 14 14 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 ARG N 1.0 -70.0 -10.0 PSI 15 15 A 9 LYS C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -110.0 -50.0 PHI 16 16 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 TYR N 1.0 -70.0 -10.0 PSI 17 17 A 10 ARG C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -170.0 -90.0 PHI 18 18 A 11 TYR N A 11 TYR CA A 11 TYR C A 12 PRO N 1.0 30.0 150.0 PSI 19 19 A 12 PRO C A 13 ASN N A 13 ASN CA A 13 ASN C 1.0 -180.0 -20.0 PHI 20 20 A 13 ASN N A 13 ASN CA A 13 ASN C A 14 CYS N 1.0 -40.0 40.0 PSI 21 21 A 13 ASN C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -180.0 -20.0 PHI 22 22 A 14 CYS N A 14 CYS CA A 14 CYS C A 15 GLU N 1.0 120.0 180.0 PSI 23 23 A 14 CYS C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -180.0 -20.0 PHI 24 24 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 VAL N 1.0 100.0 160.0 PSI 25 25 A 15 GLU C A 16 VAL N A 16 VAL CA A 16 VAL C 1.0 -180.0 -20.0 PHI 26 26 A 16 VAL N A 16 VAL CA A 16 VAL C A 17 ARG N 1.0 100.0 160.0 PSI 27 27 A 16 VAL C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -180.0 -20.0 PHI 28 28 A 17 ARG N A 17 ARG CA A 17 ARG C A 18 CYS N 1.0 100.0 160.0 PSI 29 29 A 17 ARG C A 18 CYS N A 18 CYS CA A 18 CYS C 1.0 -180.0 -20.0 PHI 30 30 A 18 CYS N A 18 CYS CA A 18 CYS C A 19 ASP N 1.0 110.0 170.0 PSI 31 31 A 18 CYS C A 19 ASP N A 19 ASP CA A 19 ASP C 1.0 -180.0 -20.0 PHI 32 32 A 19 ASP N A 19 ASP CA A 19 ASP C A 20 DPR N 1.0 70.0 130.0 PSI 33 33 A 21 PRO C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -140.0 -60.0 PHI 34 34 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 TYR N 1.0 100.0 180.0 PSI 35 35 A 22 ARG C A 23 TYR N A 23 TYR CA A 23 TYR C 1.0 -150.0 -90.0 PHI 36 36 A 23 TYR N A 23 TYR CA A 23 TYR C A 24 GLU N 1.0 110.0 170.0 PSI 37 37 A 23 TYR C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -180.0 -20.0 PHI 38 38 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 VAL N 1.0 110.0 170.0 PSI 39 39 A 24 GLU C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -150.0 -70.0 PHI 40 40 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 HIS N 1.0 90.0 150.0 PSI 41 41 A 25 VAL C A 26 HIS N A 26 HIS CA A 26 HIS C 1.0 -130.0 -70.0 PHI 42 42 A 26 HIS N A 26 HIS CA A 26 HIS C A 27 CYS N 1.0 80.0 140.0 PSI 43 43 A 7 LEU N A 7 LEU CA A 7 LEU CB A 7 LEU CG 1.0 -90.0 -30.0 CHI1 44 44 A 11 TYR N A 11 TYR CA A 11 TYR CB A 11 TYR CG 1.0 -90.0 -30.0 CHI1 45 45 A 13 ASN N A 13 ASN CA A 13 ASN CB A 13 ASN CG 1.0 -90.0 -30.0 CHI1 46 46 A 14 CYS N A 14 CYS CA A 14 CYS CB A 14 CYS SG 1.0 -90.0 -30.0 CHI1 47 47 A 17 ARG N A 17 ARG CA A 17 ARG CB A 17 ARG CG 1.0 -90.0 -30.0 CHI1 48 48 A 18 CYS N A 18 CYS CA A 18 CYS CB A 18 CYS SG 1.0 -90.0 -30.0 CHI1 49 49 A 23 TYR N A 23 TYR CA A 23 TYR CB A 23 TYR CG 1.0 -90.0 -30.0 CHI1 50 50 A 27 CYS N A 27 CYS CA A 27 CYS CB A 27 CYS SG 1.0 -90.0 -30.0 CHI1 stop_ save_