data_nef_c19986_2mpj 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 2MPJ stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 15 HIS NE2 2 1 ZN ZN 1 7 CYS SG 2 1 ZN ZN 1 20 CYS SG 2 1 ZN ZN 1 10 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 ASN start . . 2 A 2 ARG middle . . 3 A 3 SER middle . . 4 A 4 GLY middle . false 5 A 5 ASP middle . . 6 A 6 THR middle . . 7 A 7 CYS middle -HG . 8 A 8 PHE middle . . 9 A 9 ARG middle . . 10 A 10 CYS middle -HG . 11 A 11 GLY middle . false 12 A 12 GLY middle . false 13 A 13 MET middle . . 14 A 14 GLY middle . false 15 A 15 HIS middle -HE2 . 16 A 16 TRP middle . . 17 A 17 ALA middle . . 18 A 18 SER middle . . 19 A 19 GLN middle . . 20 A 20 CYS middle -HG . 21 A 21 PRO middle . false 22 A 22 GLY middle . false 23 A 23 SER middle . . 24 A 24 VAL middle . . 25 A 25 PRO end . false 26 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 ASN HA H 1 4.324 0.004 A 1 ASN HB2 H 1 2.946 0.003 A 1 ASN HB3 H 1 2.946 0.003 A 1 ASN HD21 H 1 6.982 0.001 A 1 ASN HD22 H 1 7.663 0.002 A 1 ASN CA C 13 52.801 0.313 A 1 ASN CB C 13 38.070 0.313 A 2 ARG H H 1 8.782 0.002 A 2 ARG HA H 1 4.418 0.003 A 2 ARG HBx H 1 1.758 0.003 A 2 ARG HBy H 1 1.867 0.003 A 2 ARG HD2 H 1 3.117 0.003 A 2 ARG HD3 H 1 3.117 0.003 A 2 ARG HE H 1 7.208 0.002 A 2 ARG HG2 H 1 1.598 0.003 A 2 ARG HG3 H 1 1.598 0.003 A 2 ARG CA C 13 56.449 0.313 A 2 ARG CB C 13 30.914 0.029 A 3 SER H H 1 8.448 0.002 A 3 SER HA H 1 4.362 0.002 A 3 SER HBx H 1 3.850 0.002 A 3 SER HBy H 1 3.850 0.002 A 3 SER CA C 13 59.152 0.313 A 3 SER CB C 13 63.848 0.313 A 3 SER N N 15 118.047 0.068 A 4 GLY H H 1 8.341 0.003 A 4 GLY HAy H 1 4.009 0.002 A 4 GLY HAx H 1 3.904 0.005 A 4 GLY CA C 13 45.309 0.313 A 4 GLY N N 15 111.039 0.068 A 5 ASP H H 1 8.080 0.001 A 5 ASP HA H 1 4.588 0.001 A 5 ASP HB2 H 1 2.475 0.004 A 5 ASP HB3 H 1 2.475 0.004 A 5 ASP CA C 13 54.538 0.313 A 5 ASP CB C 13 41.127 0.313 A 5 ASP N N 15 121.392 0.068 A 6 THR H H 1 7.921 0.002 A 6 THR HA H 1 4.461 0.001 A 6 THR HB H 1 3.845 0.002 A 6 THR HG2% H 1 1.000 0.002 A 6 THR CA C 13 60.271 0.313 A 6 THR CB C 13 71.123 0.313 A 6 THR N N 15 114.919 0.068 A 7 CYS H H 1 8.639 0.002 A 7 CYS HA H 1 4.273 0.005 A 7 CYS HBx H 1 2.034 0.004 A 7 CYS HBy H 1 2.758 0.002 A 7 CYS CA C 13 59.912 0.313 A 7 CYS CB C 13 30.038 0.007 A 7 CYS N N 15 128.549 0.068 A 8 PHE H H 1 8.519 0.004 A 8 PHE HA H 1 4.582 0.002 A 8 PHE HBx H 1 3.175 0.002 A 8 PHE HBy H 1 3.343 0.002 A 8 PHE HDx H 1 7.319 0.001 A 8 PHE HDy H 1 7.319 0.001 A 8 PHE HEx H 1 7.394 0.001 A 8 PHE HEy H 1 7.394 0.001 A 8 PHE HZ H 1 7.344 0.003 A 8 PHE CA C 13 54.745 0.313 A 8 PHE CB C 13 38.551 0.313 A 8 PHE N N 15 129.290 0.068 A 9 ARG H H 1 9.107 0.003 A 9 ARG HA H 1 4.219 0.004 A 9 ARG HBy H 1 1.970 0.003 A 9 ARG HBx H 1 1.874 0.003 A 9 ARG HDy H 1 3.183 0.004 A 9 ARG HDx H 1 3.182 0.004 A 9 ARG HE H 1 7.127 0.002 A 9 ARG HGy H 1 1.422 0.005 A 9 ARG HGx H 1 1.366 0.017 A 9 ARG CA C 13 58.926 0.313 A 9 ARG CB C 13 30.936 0.009 A 9 ARG N N 15 124.302 0.068 A 10 CYS H H 1 8.504 0.004 A 10 CYS HA H 1 5.021 0.002 A 10 CYS HBy H 1 3.254 0.002 A 10 CYS HBx H 1 2.585 0.001 A 10 CYS CA C 13 58.434 0.313 A 10 CYS CB C 13 32.591 0.004 A 10 CYS N N 15 117.243 0.068 A 11 GLY H H 1 8.205 0.007 A 11 GLY HAx H 1 3.852 0.003 A 11 GLY HAy H 1 4.204 0.002 A 11 GLY CA C 13 45.885 0.313 A 11 GLY N N 15 115.166 0.068 A 12 GLY H H 1 9.198 0.003 A 12 GLY HAx H 1 3.684 0.001 A 12 GLY HAy H 1 4.193 0.004 A 12 GLY CA C 13 43.567 0.016 A 12 GLY N N 15 113.681 0.068 A 13 MET H H 1 8.318 0.003 A 13 MET HA H 1 4.345 0.001 A 13 MET HBy H 1 2.028 0.003 A 13 MET HBx H 1 1.899 0.003 A 13 MET HGx H 1 2.513 0.009 A 13 MET HGy H 1 2.542 0.012 A 13 MET CA C 13 55.851 0.313 A 13 MET CB C 13 34.580 0.007 A 13 MET N N 15 117.847 0.068 A 14 GLY H H 1 8.601 0.002 A 14 GLY HAx H 1 3.690 0.002 A 14 GLY HAy H 1 4.208 0.002 A 14 GLY CA C 13 45.798 0.010 A 14 GLY N N 15 108.829 0.068 A 15 HIS H H 1 7.052 0.001 A 15 HIS HA H 1 4.609 0.002 A 15 HIS HBx H 1 3.116 0.003 A 15 HIS HBy H 1 3.116 0.003 A 15 HIS HD1 H 1 12.095 0.004 A 15 HIS HD2 H 1 6.902 0.001 A 15 HIS HE1 H 1 7.616 0.001 A 15 HIS CB C 13 30.190 0.313 A 15 HIS N N 15 113.829 0.068 A 16 TRP H H 1 8.249 0.002 A 16 TRP HA H 1 5.017 0.002 A 16 TRP HBx H 1 3.136 0.002 A 16 TRP HBy H 1 3.544 0.002 A 16 TRP HD1 H 1 7.280 0.001 A 16 TRP HE1 H 1 10.188 0.002 A 16 TRP HE3 H 1 7.667 0.003 A 16 TRP HH2 H 1 7.180 0.004 A 16 TRP HZ2 H 1 7.495 0.002 A 16 TRP HZ3 H 1 7.253 0.005 A 16 TRP CA C 13 58.405 0.313 A 16 TRP CB C 13 31.082 0.013 A 16 TRP N N 15 118.974 0.068 A 17 ALA H H 1 9.004 0.001 A 17 ALA HA H 1 4.909 0.002 A 17 ALA HB% H 1 1.420 0.002 A 17 ALA CB C 13 19.408 0.313 A 17 ALA N N 15 125.898 0.068 A 18 SER H H 1 8.049 0.009 A 18 SER HA H 1 4.449 0.003 A 18 SER HB2 H 1 3.811 0.004 A 18 SER HB3 H 1 3.811 0.004 A 18 SER CA C 13 58.277 0.313 A 18 SER CB C 13 64.054 0.313 A 18 SER N N 15 116.139 0.068 A 19 GLN H H 1 8.046 0.004 A 19 GLN HA H 1 4.544 0.003 A 19 GLN HBx H 1 2.025 0.003 A 19 GLN HBy H 1 2.025 0.003 A 19 GLN HE21 H 1 7.530 0.001 A 19 GLN HE22 H 1 6.758 0.001 A 19 GLN HGx H 1 2.341 0.009 A 19 GLN HGy H 1 2.341 0.009 A 19 GLN CA C 13 54.309 0.313 A 19 GLN CB C 13 27.411 0.313 A 19 GLN N N 15 121.007 0.068 A 20 CYS H H 1 7.476 0.001 A 20 CYS HA H 1 4.087 0.003 A 20 CYS HBx H 1 2.815 0.008 A 20 CYS HBy H 1 3.203 0.003 A 20 CYS CA C 13 58.721 0.313 A 20 CYS CB C 13 30.379 0.047 A 20 CYS N N 15 125.766 0.068 A 21 PRO HA H 1 4.442 0.004 A 21 PRO HBx H 1 1.960 0.003 A 21 PRO HBy H 1 2.156 0.004 A 21 PRO HDx H 1 3.125 0.004 A 21 PRO HDy H 1 3.448 0.001 A 21 PRO HGx H 1 1.796 0.004 A 21 PRO HGy H 1 1.864 0.005 A 21 PRO CA C 13 63.773 0.313 A 21 PRO CB C 13 32.158 0.011 A 22 GLY H H 1 8.178 0.002 A 22 GLY HAy H 1 4.025 0.005 A 22 GLY HAx H 1 3.963 0.002 A 22 GLY CA C 13 45.260 0.024 A 22 GLY N N 15 111.939 0.068 A 23 SER H H 1 8.747 0.002 A 23 SER HA H 1 3.967 0.004 A 23 SER HBx H 1 3.866 0.004 A 23 SER HBy H 1 3.866 0.004 A 23 SER CA C 13 62.688 0.313 A 23 SER CB C 13 63.710 0.313 A 23 SER N N 15 111.818 0.068 A 24 VAL H H 1 8.089 0.003 A 24 VAL HA H 1 4.456 0.005 A 24 VAL HB H 1 2.111 0.004 A 24 VAL HGx% H 1 0.925 0.015 A 24 VAL HGy% H 1 0.967 0.005 A 24 VAL CA C 13 60.035 0.313 A 24 VAL CB C 13 32.627 0.313 A 24 VAL N N 15 123.284 0.068 A 25 PRO HA H 1 4.355 0.004 A 25 PRO HBy H 1 2.301 0.004 A 25 PRO HBx H 1 1.928 0.002 A 25 PRO HDy H 1 3.866 0.009 A 25 PRO HDx H 1 3.689 0.004 A 25 PRO HGy H 1 2.052 0.005 A 25 PRO HGx H 1 1.977 0.005 A 25 PRO CA C 13 63.298 0.313 A 25 PRO CB C 13 32.360 0.008 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 8 PHE HEx A 9 ARG HGx 1.0 1.714 3.260 2 1 A 8 PHE HEy A 9 ARG HGx 1.0 1.714 3.260 3 1 A 8 PHE HEx A 17 ALA HB% 1.0 1.714 3.260 4 1 A 17 ALA HB% A 8 PHE HEy 1.0 1.714 3.260 5 2 A 19 GLN HE22 A 19 GLN HGx 1.0 1.997 6.307 6 2 A 19 GLN HE22 A 19 GLN HGy 1.0 1.997 6.307 7 3 A 9 ARG HE A 9 ARG HDx 1.0 1.860 4.018 8 3 A 9 ARG HE A 9 ARG HDy 1.0 1.860 4.018 9 4 A 2 ARG HE A 2 ARG HD2 1.0 1.968 5.014 10 4 A 2 ARG HE A 2 ARG HD3 1.0 1.968 5.014 11 5 A 15 HIS H A 15 HIS HBy 1.0 1.886 4.206 12 5 A 15 HIS H A 15 HIS HBx 1.0 1.886 4.206 13 6 A 18 SER HA A 18 SER H 1.0 1.883 4.185 14 6 A 19 GLN H A 18 SER HA 1.0 1.883 4.185 15 7 A 23 SER H A 23 SER HBy 1.0 1.758 3.460 16 7 A 23 SER H A 23 SER HBx 1.0 1.758 3.460 17 8 A 3 SER H A 3 SER HBy 1.0 1.915 4.435 18 8 A 3 SER H A 3 SER HBx 1.0 1.915 4.435 19 9 A 18 SER H A 18 SER HB2 1.0 1.806 3.698 20 9 A 18 SER H A 18 SER HB3 1.0 1.806 3.698 21 9 A 19 GLN H A 18 SER HB3 1.0 1.806 3.698 22 10 A 18 SER H A 16 TRP HBx 1.0 1.920 4.482 23 10 A 19 GLN H A 16 TRP HBx 1.0 1.920 4.482 24 11 A 5 ASP H A 5 ASP HB3 1.0 1.788 3.604 25 11 A 5 ASP H A 5 ASP HB2 1.0 1.788 3.604 26 12 A 5 ASP HB3 A 6 THR H 1.0 1.970 5.056 27 12 A 5 ASP HB2 A 6 THR H 1.0 1.970 5.056 28 13 A 19 GLN HGx A 19 GLN H 1.0 1.839 3.893 29 13 A 19 GLN HGy A 19 GLN H 1.0 1.839 3.893 30 14 A 16 TRP H A 19 GLN HBx 1.0 1.911 4.401 31 14 A 16 TRP H A 19 GLN HBy 1.0 1.911 4.401 32 15 A 19 GLN H A 19 GLN HBy 1.0 1.744 3.396 33 15 A 19 GLN H A 19 GLN HBx 1.0 1.744 3.396 34 16 A 9 ARG H A 10 CYS H 1.0 1.651 3.005 35 16 A 9 ARG H A 8 PHE H 1.0 1.651 3.005 36 17 A 9 ARG HDx A 9 ARG H 1.0 1.997 6.277 37 17 A 9 ARG HDy A 9 ARG H 1.0 1.997 6.277 38 18 A 2 ARG HD2 A 2 ARG HG2 1.0 1.816 3.756 39 18 A 2 ARG HD2 A 2 ARG HG3 1.0 1.816 3.756 40 18 A 2 ARG HD3 A 2 ARG HG3 1.0 1.816 3.756 41 19 A 19 GLN HGx A 16 TRP H 1.0 1.998 5.756 42 19 A 19 GLN HGy A 16 TRP H 1.0 1.998 5.756 43 20 A 17 ALA HB% A 9 ARG H 1.0 1.844 3.918 44 20 A 9 ARG HGx A 9 ARG H 1.0 1.844 3.918 45 21 A 19 GLN HBx A 15 HIS HD2 1.0 1.780 3.564 46 21 A 19 GLN HBy A 15 HIS HD2 1.0 1.780 3.564 47 22 A 15 HIS HBx A 19 GLN HBy 1.0 1.757 3.457 48 22 A 15 HIS HBx A 19 GLN HBx 1.0 1.757 3.457 49 23 A 9 ARG HGx A 9 ARG HE 1.0 1.959 4.899 50 24 A 15 HIS HE1 A 7 CYS HBx 1.0 1.980 5.232 51 25 A 16 TRP HE3 A 16 TRP HBy 1.0 1.907 4.361 52 26 A 16 TRP HBy A 16 TRP HD1 1.0 1.998 5.732 53 27 A 15 HIS HE1 A 21 PRO HDy 1.0 1.903 4.335 54 28 A 8 PHE HEy A 8 PHE HBx 1.0 1.951 4.801 55 28 A 8 PHE HEx A 8 PHE HBx 1.0 1.951 4.801 56 29 A 8 PHE HBx A 8 PHE HDy 1.0 1.764 3.488 57 29 A 8 PHE HBx A 8 PHE HDx 1.0 1.764 3.488 58 30 A 20 CYS H A 20 CYS HBy 1.0 1.875 4.123 59 31 A 15 HIS HD2 A 20 CYS HBy 1.0 1.925 6.000 60 32 A 8 PHE HEy A 8 PHE HBy 1.0 1.921 4.493 61 32 A 8 PHE HEx A 8 PHE HBy 1.0 1.921 4.493 62 33 A 8 PHE HDy A 8 PHE HBy 1.0 1.729 3.325 63 33 A 8 PHE HDx A 8 PHE HBy 1.0 1.729 3.325 64 34 A 16 TRP HBx A 16 TRP HE3 1.0 1.999 6.143 65 35 A 16 TRP HBx A 16 TRP HD1 1.0 1.843 3.915 66 36 A 15 HIS HE1 A 21 PRO HDx 1.0 1.932 4.596 67 37 A 15 HIS HBx A 15 HIS HD2 1.0 1.694 3.178 68 38 A 20 CYS H A 20 CYS HBx 1.0 1.711 3.247 69 39 A 15 HIS HE1 A 7 CYS HBy 1.0 1.999 5.807 70 40 A 10 CYS H A 10 CYS HA 1.0 1.878 4.148 71 41 A 16 TRP H A 16 TRP HA 1.0 1.860 4.022 72 42 A 10 CYS HA A 11 GLY H 1.0 1.935 4.619 73 43 A 16 TRP HE3 A 16 TRP HA 1.0 1.909 4.383 74 44 A 16 TRP HA A 17 ALA H 1.0 1.679 3.117 75 45 A 16 TRP HD1 A 16 TRP HA 1.0 1.905 4.353 76 46 A 17 ALA H A 17 ALA HA 1.0 1.783 3.585 77 47 A 18 SER H A 17 ALA HA 1.0 1.977 5.173 78 48 A 16 TRP H A 15 HIS HA 1.0 1.677 3.107 79 49 A 15 HIS H A 15 HIS HA 1.0 1.808 3.718 80 50 A 15 HIS HD2 A 15 HIS HA 1.0 1.992 6.518 81 51 A 9 ARG H A 8 PHE HA 1.0 1.967 4.999 82 52 A 8 PHE H A 8 PHE HA 1.0 1.823 3.801 83 53 A 11 GLY H A 8 PHE HA 1.0 1.957 4.865 84 54 A 5 ASP H A 5 ASP HA 1.0 1.889 4.227 85 55 A 6 THR H A 5 ASP HA 1.0 1.685 3.137 86 56 A 8 PHE HDy A 8 PHE HA 1.0 1.948 4.762 87 56 A 8 PHE HDx A 8 PHE HA 1.0 1.948 4.762 88 57 A 19 GLN H A 19 GLN HA 1.0 1.842 3.912 89 58 A 20 CYS H A 19 GLN HA 1.0 1.861 4.031 90 59 A 7 CYS H A 6 THR HA 1.0 1.581 2.755 91 60 A 6 THR H A 6 THR HA 1.0 1.890 4.232 92 61 A 23 SER H A 21 PRO HA 1.0 1.992 5.492 93 62 A 24 VAL H A 24 VAL HA 1.0 1.802 3.682 94 63 A 3 SER H A 2 ARG HA 1.0 1.778 3.558 95 64 A 4 GLY H A 3 SER HA 1.0 1.814 3.748 96 65 A 17 ALA H A 7 CYS HA 1.0 1.923 4.501 97 66 A 7 CYS H A 7 CYS HA 1.0 1.817 3.765 98 67 A 8 PHE H A 7 CYS HA 1.0 1.582 2.762 99 68 A 9 ARG H A 9 ARG HA 1.0 1.855 3.989 100 69 A 14 GLY H A 14 GLY HAx 1.0 1.794 3.640 101 70 A 11 GLY H A 11 GLY HAy 1.0 1.844 3.926 102 71 A 8 PHE HDy A 9 ARG HA 1.0 1.928 4.546 103 71 A 8 PHE HDx A 9 ARG HA 1.0 1.928 4.546 104 72 A 15 HIS H A 14 GLY HAx 1.0 1.964 4.962 105 73 A 12 GLY H A 12 GLY HAx 1.0 1.838 3.888 106 74 A 12 GLY HAx A 13 MET H 1.0 1.705 3.223 107 75 A 15 HIS HE1 A 12 GLY HAx 1.0 1.900 7.882 108 76 A 15 HIS HE1 A 20 CYS HA 1.0 1.993 5.533 109 77 A 20 CYS H A 20 CYS HA 1.0 1.836 3.876 110 78 A 15 HIS HD2 A 20 CYS HA 1.0 1.628 2.920 111 79 A 4 GLY H A 4 GLY HAy 1.0 1.895 4.269 112 80 A 5 ASP H A 4 GLY HAy 1.0 1.823 3.795 113 81 A 23 SER H A 23 SER HA 1.0 1.737 3.361 114 82 A 22 GLY H A 22 GLY HAy 1.0 1.743 3.391 115 83 A 4 GLY H A 4 GLY HAx 1.0 1.780 3.570 116 84 A 5 ASP H A 4 GLY HAx 1.0 1.945 4.725 117 85 A 12 GLY H A 11 GLY HAx 1.0 1.941 4.687 118 86 A 7 CYS H A 6 THR HB 1.0 1.825 3.805 119 87 A 11 GLY H A 11 GLY HAx 1.0 1.627 2.919 120 88 A 6 THR H A 6 THR HB 1.0 1.932 4.596 121 89 A 14 GLY H A 14 GLY HAy 1.0 1.814 3.746 122 90 A 15 HIS H A 14 GLY HAy 1.0 1.849 3.957 123 91 A 12 GLY H A 12 GLY HAy 1.0 1.674 3.098 124 92 A 13 MET H A 12 GLY HAy 1.0 1.751 3.423 125 93 A 15 HIS HE1 A 12 GLY HAy 1.0 1.850 3.958 126 94 A 16 TRP HBy A 17 ALA H 1.0 1.792 3.626 127 95 A 16 TRP H A 16 TRP HBy 1.0 1.974 5.112 128 96 A 8 PHE H A 8 PHE HBx 1.0 1.894 4.264 129 97 A 8 PHE H A 8 PHE HBy 1.0 1.758 3.458 130 98 A 16 TRP HBx A 17 ALA H 1.0 1.985 5.337 131 99 A 21 PRO HDx A 22 GLY H 1.0 1.947 6.000 132 100 A 19 GLN H A 20 CYS HBx 1.0 1.999 6.109 133 101 A 7 CYS HBy A 12 GLY H 1.0 1.793 3.635 134 102 A 7 CYS HBy A 7 CYS H 1.0 1.784 3.588 135 103 A 10 CYS H A 7 CYS HBy 1.0 1.888 4.214 136 104 A 7 CYS HBy A 11 GLY H 1.0 1.896 4.286 137 105 A 10 CYS H A 10 CYS HBx 1.0 1.837 3.879 138 106 A 13 MET H A 13 MET HGy 1.0 1.887 4.209 139 107 A 24 VAL H A 24 VAL HB 1.0 1.935 4.615 140 108 A 7 CYS HBx A 12 GLY H 1.0 2.000 6.014 141 109 A 7 CYS HBx A 7 CYS H 1.0 1.693 3.173 142 110 A 14 GLY H A 13 MET HBx 1.0 1.860 4.024 143 111 A 13 MET H A 13 MET HBx 1.0 1.965 4.973 144 112 A 9 ARG H A 9 ARG HBx 1.0 1.948 4.760 145 113 A 10 CYS H A 9 ARG HBx 1.0 1.932 4.594 146 114 A 14 GLY H A 13 MET HBy 1.0 1.997 6.303 147 115 A 13 MET H A 13 MET HBy 1.0 1.747 3.411 148 116 A 10 CYS H A 9 ARG HBy 1.0 1.816 3.760 149 117 A 9 ARG H A 9 ARG HBy 1.0 1.727 3.315 150 118 A 3 SER H A 2 ARG HBy 1.0 1.978 6.854 151 119 A 17 ALA HB% A 17 ALA H 1.0 1.556 2.674 152 120 A 15 HIS HBy A 15 HIS HD1 1.0 1.901 4.319 153 121 A 16 TRP HD1 A 16 TRP HE1 1.0 1.697 3.187 154 122 A 16 TRP HE1 A 16 TRP HZ2 1.0 1.906 4.362 155 123 A 15 HIS HE1 A 15 HIS HD1 1.0 1.862 4.034 156 124 A 8 PHE H A 8 PHE HDy 1.0 1.826 3.812 157 124 A 8 PHE H A 8 PHE HDx 1.0 1.826 3.812 158 125 A 7 CYS H A 12 GLY H 1.0 2.000 5.902 159 126 A 6 THR H A 7 CYS H 1.0 1.995 6.417 160 127 A 16 TRP H A 16 TRP HD1 1.0 1.979 5.195 161 128 A 16 TRP H A 15 HIS HD2 1.0 1.981 5.233 162 129 A 17 ALA HB% A 16 TRP HA 1.0 1.993 5.549 163 130 A 15 HIS H A 14 GLY H 1.0 1.740 3.374 164 131 A 6 THR HA A 14 GLY H 1.0 1.891 4.243 165 132 A 13 MET H A 13 MET HGx 1.0 1.979 5.189 166 133 A 15 HIS HE1 A 12 GLY H 1.0 1.998 5.774 167 134 A 9 ARG H A 11 GLY H 1.0 1.913 4.415 168 135 A 19 GLN H A 20 CYS H 1.0 1.687 3.147 169 136 A 19 GLN HE22 A 19 GLN HE21 1.0 1.259 1.871 170 137 A 5 ASP H A 4 GLY H 1.0 1.878 4.140 171 138 A 3 SER H A 3 SER HA 1.0 1.870 4.090 172 139 A 22 GLY H A 22 GLY HAx 1.0 1.874 4.114 173 140 A 8 PHE H A 9 ARG HA 1.0 1.986 5.342 174 141 A 10 CYS H A 7 CYS HBx 1.0 1.991 6.541 175 142 A 15 HIS HBx A 19 GLN H 1.0 1.971 5.077 176 143 A 7 CYS H A 6 THR HG2% 1.0 1.918 4.464 177 144 A 6 THR H A 6 THR HG2% 1.0 1.871 4.097 178 145 A 25 PRO HGy A 25 PRO HDy 1.0 1.935 4.623 179 146 A 21 PRO HDy A 20 CYS HA 1.0 1.688 3.152 180 147 A 21 PRO HDx A 20 CYS HA 1.0 1.671 3.085 181 148 A 20 CYS HBx A 20 CYS HA 1.0 1.886 4.208 182 149 A 20 CYS HBy A 20 CYS HA 1.0 1.807 3.707 183 150 A 1 ASN HD21 A 1 ASN HD22 1.0 1.285 1.933 184 151 A 24 VAL HA A 25 PRO HDy 1.0 1.978 5.186 185 152 A 21 PRO HDx A 21 PRO HGy 1.0 1.887 4.215 186 153 A 18 SER H A 17 ALA H 1.0 1.975 5.135 187 154 A 6 THR HB A 6 THR HG2% 1.0 1.474 2.426 188 155 A 6 THR HA A 6 THR HG2% 1.0 1.624 2.906 189 156 A 11 GLY H A 12 GLY H 1.0 1.784 3.586 190 157 A 15 HIS HBx A 16 TRP H 1.0 1.589 2.785 191 158 A 17 ALA HB% A 7 CYS HA 1.0 1.866 4.062 192 159 A 9 ARG HGx A 8 PHE HDy 1.0 1.785 3.589 193 159 A 9 ARG HGx A 8 PHE HDx 1.0 1.785 3.589 194 160 A 17 ALA HB% A 8 PHE HZ 1.0 1.814 3.746 195 161 A 16 TRP HZ2 A 16 TRP HZ3 1.0 1.741 6.000 196 162 A 16 TRP HE3 A 16 TRP HH2 1.0 1.800 6.000 197 163 A 10 CYS H A 10 CYS HBy 1.0 1.999 5.817 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 CYS H A 12 GLY O 1.0 1.73 2.7 2 2 A 12 GLY H A 7 CYS O 1.0 1.73 2.7 3 3 A 14 GLY H A 5 ASP O 1.0 1.73 2.7 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 save_