data_nef_c30146_5kx2 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 30138 BMRB 30140 BMRB 30141 BMRB 30142 BMRB 30143 BMRB 30144 BMRB 30145 PDB 5KX2 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 5 CYS SG 1 14 CYS SG 1 1 PRO N 1 18 DPR C 1 8 ILE C 1 9 DPR N 1 9 DPR C 1 10 PRO N 1 17 ARG C 1 18 DPR 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 PRO cyclic -H false 2 A 2 VAL middle . . 3 A 3 THR middle . . 4 A 4 TRP middle . . 5 A 5 CYS middle -HG . 6 A 6 VAL middle . . 7 A 7 ARG middle . . 8 A 8 ILE middle -OXT . 9 A 9 DPR middle -H,-OXT . 10 A 10 PRO middle -H false 11 A 11 THR middle . . 12 A 12 VAL middle . . 13 A 13 ARG middle . . 14 A 14 CYS middle -HG . 15 A 15 THR middle . . 16 A 16 VAL middle . . 17 A 17 ARG middle -OXT . 18 A 18 DPR cyclic -OXT,-H . 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 PRO HA H 1 4.549 0.003 A 1 PRO HBx H 1 2.179 0.000 A 1 PRO HBy H 1 2.246 0.004 A 1 PRO HDx H 1 3.763 0.005 A 1 PRO HDy H 1 4.014 0.002 A 1 PRO HGx H 1 1.967 0.000 A 1 PRO HGy H 1 2.105 0.005 A 1 PRO CA C 13 63.690 0.000 A 1 PRO CB C 13 32.385 0.003 A 1 PRO CD C 13 50.406 0.000 A 1 PRO CG C 13 26.328 0.050 A 2 VAL H H 1 7.681 0.004 A 2 VAL HA H 1 4.354 0.002 A 2 VAL HB H 1 2.175 0.002 A 2 VAL HG1% H 1 0.969 0.003 A 2 VAL HG2% H 1 0.828 0.005 A 2 VAL CA C 13 61.736 0.000 A 2 VAL CB C 13 34.330 0.000 A 2 VAL CG1 C 13 21.144 0.000 A 2 VAL CG2 C 13 21.161 0.000 A 2 VAL N N 15 121.272 0.000 A 3 THR H H 1 8.541 0.002 A 3 THR HA H 1 4.911 0.005 A 3 THR HB H 1 3.956 0.002 A 3 THR HG2% H 1 1.119 0.001 A 3 THR CA C 13 62.050 0.000 A 3 THR CB C 13 70.041 0.000 A 3 THR CG2 C 13 21.974 0.000 A 3 THR N N 15 122.162 0.000 A 4 TRP H H 1 9.042 0.004 A 4 TRP HA H 1 5.013 0.002 A 4 TRP HBx H 1 3.067 0.006 A 4 TRP HBy H 1 3.271 0.006 A 4 TRP HD1 H 1 7.088 0.001 A 4 TRP HE1 H 1 10.081 0.000 A 4 TRP HE3 H 1 7.541 0.000 A 4 TRP HH2 H 1 7.192 0.002 A 4 TRP HZ2 H 1 7.453 0.001 A 4 TRP HZ3 H 1 7.074 0.000 A 4 TRP CA C 13 56.065 0.000 A 4 TRP CB C 13 31.330 0.001 A 4 TRP N N 15 129.057 0.000 A 5 CYS H H 1 8.782 0.004 A 5 CYS HA H 1 5.507 0.002 A 5 CYS HBx H 1 2.535 0.008 A 5 CYS HBy H 1 2.890 0.009 A 5 CYS CA C 13 55.339 0.000 A 5 CYS CB C 13 47.044 0.002 A 5 CYS N N 15 124.001 0.000 A 6 VAL H H 1 8.695 0.002 A 6 VAL HA H 1 4.393 0.002 A 6 VAL HB H 1 1.957 0.004 A 6 VAL HG1% H 1 0.884 0.004 A 6 VAL HG2% H 1 0.883 0.004 A 6 VAL CA C 13 59.919 0.000 A 6 VAL CB C 13 35.296 0.004 A 6 VAL CG1 C 13 20.031 0.000 A 6 VAL CG2 C 13 20.767 0.000 A 6 VAL N N 15 120.515 0.000 A 7 ARG H H 1 8.586 0.002 A 7 ARG HA H 1 4.843 0.008 A 7 ARG HBx H 1 1.669 0.003 A 7 ARG HBy H 1 1.812 0.002 A 7 ARG HDx H 1 3.118 0.004 A 7 ARG HDy H 1 3.198 0.002 A 7 ARG HE H 1 7.265 0.002 A 7 ARG HGx H 1 1.477 0.004 A 7 ARG HGy H 1 1.533 0.004 A 7 ARG CA C 13 55.501 0.000 A 7 ARG CB C 13 30.931 0.021 A 7 ARG CD C 13 43.061 0.035 A 7 ARG CG C 13 27.808 0.002 A 7 ARG N N 15 125.296 0.000 A 8 ILE H H 1 8.742 0.003 A 8 ILE HA H 1 4.573 0.002 A 8 ILE HB H 1 1.767 0.003 A 8 ILE HD1% H 1 0.819 0.002 A 8 ILE HG12 H 1 1.089 0.003 A 8 ILE HG13 H 1 1.429 0.004 A 8 ILE HG2% H 1 0.870 0.002 A 8 ILE CA C 13 58.141 0.000 A 8 ILE CB C 13 38.742 0.000 A 8 ILE CD1 C 13 13.283 0.000 A 8 ILE CG1 C 13 26.867 0.003 A 8 ILE CG2 C 13 17.557 0.000 A 8 ILE N N 15 127.841 0.000 A 9 DPR HA H 1 4.756 0.005 A 9 DPR HBy H 1 2.291 0.006 A 9 DPR HBx H 1 1.923 0.001 A 9 DPR HDy H 1 3.879 0.003 A 9 DPR HDx H 1 3.550 0.007 A 9 DPR HGy H 1 2.144 0.008 A 9 DPR HGx H 1 2.022 0.003 A 9 DPR CB C 13 30.431 0.005 A 9 DPR CD C 13 51.048 0.000 A 9 DPR CG C 13 27.783 0.003 A 10 PRO HA H 1 4.560 0.003 A 10 PRO HBx H 1 2.182 0.002 A 10 PRO HBy H 1 2.224 0.000 A 10 PRO HDx H 1 3.728 0.005 A 10 PRO HDy H 1 4.033 0.005 A 10 PRO HGx H 1 1.970 0.003 A 10 PRO HGy H 1 2.092 0.000 A 10 PRO CA C 13 63.657 0.000 A 10 PRO CB C 13 32.446 0.000 A 10 PRO CD C 13 50.328 0.003 A 10 PRO CG C 13 26.277 0.000 A 11 THR H H 1 7.837 0.002 A 11 THR HA H 1 4.546 0.005 A 11 THR HB H 1 4.113 0.002 A 11 THR HG2% H 1 1.173 0.002 A 11 THR CA C 13 61.407 0.000 A 11 THR CB C 13 71.005 0.000 A 11 THR CG2 C 13 21.560 0.000 A 11 THR N N 15 116.368 0.000 A 12 VAL H H 1 8.556 0.003 A 12 VAL HA H 1 4.647 0.003 A 12 VAL HB H 1 1.888 0.004 A 12 VAL HG1% H 1 0.828 0.010 A 12 VAL HG2% H 1 0.816 0.008 A 12 VAL CA C 13 61.420 0.000 A 12 VAL CB C 13 33.682 0.000 A 12 VAL CG2 C 13 21.803 0.000 A 12 VAL N N 15 124.094 0.000 A 13 ARG H H 1 8.869 0.002 A 13 ARG HA H 1 4.719 0.006 A 13 ARG HBx H 1 1.674 0.004 A 13 ARG HBy H 1 1.794 0.004 A 13 ARG HD2 H 1 3.165 0.001 A 13 ARG HD3 H 1 3.165 0.001 A 13 ARG HE H 1 7.143 0.002 A 13 ARG HGx H 1 1.485 0.004 A 13 ARG HGy H 1 1.633 0.004 A 13 ARG CA C 13 54.669 0.000 A 13 ARG CB C 13 32.671 0.000 A 13 ARG CD C 13 43.257 0.000 A 13 ARG CG C 13 26.931 0.021 A 13 ARG N N 15 127.843 0.000 A 14 CYS H H 1 9.189 0.004 A 14 CYS HA H 1 5.714 0.002 A 14 CYS HBx H 1 2.620 0.007 A 14 CYS HBy H 1 2.996 0.002 A 14 CYS CA C 13 55.572 0.000 A 14 CYS CB C 13 46.943 0.001 A 14 CYS N N 15 125.462 0.000 A 15 THR H H 1 9.181 0.004 A 15 THR HA H 1 4.541 0.002 A 15 THR HB H 1 3.795 0.004 A 15 THR HG2% H 1 1.184 0.004 A 15 THR CA C 13 61.045 0.000 A 15 THR CB C 13 71.358 0.000 A 15 THR CG2 C 13 21.297 0.000 A 15 THR N N 15 119.140 0.000 A 16 VAL H H 1 8.622 0.001 A 16 VAL HA H 1 4.601 0.004 A 16 VAL HB H 1 2.000 0.002 A 16 VAL HG1% H 1 0.937 0.005 A 16 VAL HG2% H 1 0.935 0.004 A 16 VAL CA C 13 62.152 0.000 A 16 VAL CB C 13 32.980 0.000 A 16 VAL CG1 C 13 20.716 0.000 A 16 VAL CG2 C 13 21.315 0.000 A 16 VAL N N 15 124.989 0.000 A 17 ARG H H 1 9.140 0.003 A 17 ARG HA H 1 4.916 0.004 A 17 ARG HBx H 1 1.729 0.002 A 17 ARG HBy H 1 1.801 0.003 A 17 ARG HDx H 1 3.013 0.002 A 17 ARG HDy H 1 3.065 0.002 A 17 ARG HE H 1 7.037 0.002 A 17 ARG HGx H 1 1.522 0.007 A 17 ARG HGy H 1 1.584 0.004 A 17 ARG CA C 13 52.650 0.000 A 17 ARG CB C 13 31.342 0.008 A 17 ARG CD C 13 43.606 0.001 A 17 ARG CG C 13 26.873 0.000 A 17 ARG N N 15 129.082 0.000 A 18 DPR HA H 1 4.742 0.006 A 18 DPR HBy H 1 2.292 0.000 A 18 DPR HBx H 1 1.939 0.000 A 18 DPR HDy H 1 3.844 0.012 A 18 DPR HDx H 1 3.575 0.003 A 18 DPR HGy H 1 2.154 0.000 A 18 DPR HGx H 1 2.010 0.000 A 18 DPR CA C 13 61.041 0.000 A 18 DPR CB C 13 30.435 0.015 A 18 DPR CD C 13 50.905 0.028 A 18 DPR CG C 13 27.785 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 2 VAL HB A 3 THR H 1.0 1.8 4.34 2 2 A 3 THR H A 3 THR HB 1.0 1.8 3.58 3 3 A 3 THR H A 2 VAL HA 1.0 1.8 2.93 4 4 A 3 THR H A 4 TRP H 1.0 1.8 5.36 5 5 A 2 VAL H A 2 VAL HG1% 1.0 1.8 4.63 6 6 A 2 VAL HB A 2 VAL H 1.0 1.8 3.49 7 7 A 2 VAL H A 1 PRO HDx 1.0 1.8 4.76 8 8 A 2 VAL H A 17 ARG H 1.0 1.8 4.37 9 9 A 4 TRP H A 4 TRP HBx 1.0 1.8 3.83 10 10 A 4 TRP H A 4 TRP HBy 1.0 1.8 3.83 11 11 A 4 TRP H A 3 THR HA 1.0 1.8 2.92 12 12 A 4 TRP HA A 5 CYS H 1.0 1.8 3.03 13 13 A 5 CYS HA A 6 VAL H 1.0 1.8 2.94 14 14 A 6 VAL H A 6 VAL HG1% 1.0 1.8 4.55 15 15 A 6 VAL H A 6 VAL HG2% 1.0 1.8 4.55 16 16 A 6 VAL H A 6 VAL HB 1.0 1.8 4.16 17 17 A 7 ARG H A 6 VAL HG1% 1.0 1.8 4.76 18 18 A 7 ARG H A 6 VAL HG2% 1.0 1.8 4.76 19 19 A 7 ARG H A 7 ARG HBy 1.0 1.8 3.89 20 20 A 7 ARG H A 7 ARG HBx 1.0 1.8 3.89 21 21 A 7 ARG H A 6 VAL HA 1.0 1.8 2.90 22 22 A 8 ILE HA A 9 DPR HDy 1.0 1.8 3.63 23 23 A 4 TRP H A 15 THR H 1.0 1.8 4.34 24 24 A 15 THR H A 14 CYS HA 1.0 1.8 2.92 25 25 A 14 CYS H A 14 CYS HBx 1.0 1.8 3.53 26 26 A 14 CYS H A 14 CYS HBy 1.0 1.8 4.07 27 27 A 15 THR H A 14 CYS HBy 1.0 1.8 4.31 28 28 A 14 CYS H A 13 ARG HA 1.0 1.8 2.97 29 29 A 13 ARG H A 13 ARG HBx 1.0 1.8 3.96 30 30 A 13 ARG H A 13 ARG HBy 1.0 1.8 3.96 31 31 A 13 ARG H A 12 VAL HA 1.0 1.8 2.92 32 32 A 3 THR H A 2 VAL HG2% 1.0 1.8 4.70 33 33 A 12 VAL H A 12 VAL HB 1.0 1.8 3.78 34 34 A 12 VAL H A 11 THR HA 1.0 1.8 2.98 35 35 A 12 VAL H A 11 THR HB 1.0 1.8 4.05 36 36 A 12 VAL H A 11 THR HG2% 1.0 1.8 4.16 37 37 A 11 THR HG2% A 11 THR H 1.0 1.8 4.18 38 38 A 11 THR HB A 11 THR H 1.0 1.8 3.75 39 39 A 16 VAL H A 16 VAL HG1% 1.0 1.8 4.56 40 40 A 16 VAL H A 16 VAL HG2% 1.0 1.8 4.56 41 41 A 16 VAL H A 15 THR HG2% 1.0 1.8 4.03 42 42 A 16 VAL H A 16 VAL HB 1.0 1.8 3.76 43 43 A 17 ARG H A 16 VAL HG1% 1.0 1.8 4.76 44 44 A 17 ARG H A 16 VAL HG2% 1.0 1.8 4.76 45 45 A 16 VAL H A 15 THR HA 1.0 1.8 2.95 46 46 A 16 VAL H A 15 THR HB 1.0 1.8 4.17 47 47 A 15 THR H A 15 THR HG2% 1.0 1.8 4.38 48 48 A 15 THR H A 15 THR HB 1.0 1.8 3.86 49 49 A 17 ARG H A 3 THR HA 1.0 1.8 4.09 50 50 A 17 ARG H A 16 VAL HA 1.0 1.8 2.91 51 51 A 18 DPR HA A 1 PRO HDx 1.0 1.8 3.48 52 52 A 17 ARG HA A 18 DPR HDy 1.0 1.8 3.63 53 53 A 2 VAL H A 1 PRO HDy 1.0 1.8 4.76 54 54 A 2 VAL H A 18 DPR HA 1.0 1.8 4.93 55 55 A 2 VAL HA A 2 VAL HG1% 1.0 1.8 3.83 56 56 A 2 VAL HA A 2 VAL HG2% 1.0 1.8 3.83 57 57 A 2 VAL H A 2 VAL HG2% 1.0 1.8 4.63 58 58 A 3 THR HA A 3 THR HG2% 1.0 1.8 3.56 59 59 A 3 THR H A 2 VAL HG1% 1.0 1.8 4.70 60 60 A 3 THR H A 3 THR HG2% 1.0 1.8 4.59 61 61 A 4 TRP HA A 4 TRP HE3 1.0 1.8 4.57 62 62 A 4 TRP HA A 4 TRP HD1 1.0 1.8 5.04 63 63 A 4 TRP HA A 4 TRP HZ3 1.0 1.8 5.50 64 64 A 5 CYS H A 4 TRP HBx 1.0 1.8 4.96 65 65 A 5 CYS H A 4 TRP HBy 1.0 1.8 4.96 66 66 A 8 ILE HG2% A 8 ILE HG13 1.0 1.8 3.65 67 67 A 8 ILE H A 8 ILE HG13 1.0 1.8 4.81 68 68 A 8 ILE H A 8 ILE HG12 1.0 1.8 4.81 69 69 A 8 ILE H A 8 ILE HB 1.0 1.8 3.75 70 70 A 11 THR HA A 11 THR HG2% 1.0 1.8 3.72 71 71 A 15 THR HG2% A 15 THR HA 1.0 1.8 4.03 72 72 A 12 VAL HA A 12 VAL HG2% 1.0 1.8 3.96 73 73 A 15 THR H A 3 THR HG2% 1.0 1.8 4.61 74 74 A 16 VAL HA A 16 VAL HG1% 1.0 1.8 4.02 75 75 A 16 VAL HA A 16 VAL HG2% 1.0 1.8 4.02 76 76 A 3 THR HA A 16 VAL HG1% 1.0 1.8 5.15 77 77 A 3 THR HA A 16 VAL HG2% 1.0 1.8 5.15 78 78 A 2 VAL HB A 17 ARG H 1.0 1.8 4.85 79 79 A 17 ARG H A 16 VAL HB 1.0 1.8 4.84 80 80 A 4 TRP H A 4 TRP HE3 1.0 1.8 5.46 81 81 A 4 TRP H A 4 TRP HD1 1.0 1.8 5.16 82 82 A 14 CYS HBy A 3 THR HG2% 1.0 1.8 4.37 83 83 A 18 DPR HA A 1 PRO HDy 1.0 1.8 3.48 84 84 A 8 ILE HA A 8 ILE HG2% 1.0 1.8 3.51 85 85 A 12 VAL HA A 12 VAL HG1% 1.0 1.8 3.96 86 86 A 13 ARG HA A 13 ARG HD2 1.0 1.8 5.50 87 87 A 13 ARG HA A 13 ARG HD3 1.0 1.8 5.50 88 88 A 8 ILE HG2% A 8 ILE HG12 1.0 1.8 3.65 89 89 A 2 VAL H A 1 PRO HDy 1.0 1.8 3.91 90 89 A 2 VAL H A 1 PRO HDx 1.0 1.8 3.91 91 90 A 1 PRO HDx A 2 VAL HG2% 1.0 1.8 4.33 92 90 A 1 PRO HDy A 2 VAL HG2% 1.0 1.8 4.33 93 90 A 2 VAL HG1% A 1 PRO HDy 1.0 1.8 4.33 94 90 A 1 PRO HDx A 2 VAL HG1% 1.0 1.8 4.33 95 91 A 18 DPR HA A 1 PRO HDy 1.0 1.8 3.02 96 91 A 18 DPR HA A 1 PRO HDx 1.0 1.8 3.02 97 92 A 2 VAL H A 2 VAL HG2% 1.0 1.8 3.60 98 92 A 2 VAL H A 2 VAL HG1% 1.0 1.8 3.60 99 93 A 3 THR H A 2 VAL HG2% 1.0 1.8 3.65 100 93 A 3 THR H A 2 VAL HG1% 1.0 1.8 3.65 101 94 A 3 THR HA A 16 VAL HG2% 1.0 1.8 4.31 102 94 A 3 THR HA A 16 VAL HG1% 1.0 1.8 4.31 103 95 A 4 TRP HE3 A 4 TRP HBy 1.0 1.8 3.71 104 95 A 4 TRP HE3 A 4 TRP HBx 1.0 1.8 3.71 105 96 A 5 CYS H A 4 TRP HBy 1.0 1.8 4.25 106 96 A 5 CYS H A 4 TRP HBx 1.0 1.8 4.25 107 97 A 4 TRP HD1 A 17 ARG HBx 1.0 1.8 4.41 108 97 A 4 TRP HD1 A 17 ARG HBy 1.0 1.8 4.41 109 98 A 5 CYS H A 5 CYS HBx 1.0 1.8 3.47 110 98 A 5 CYS H A 5 CYS HBy 1.0 1.8 3.47 111 99 A 6 VAL H A 5 CYS HBx 1.0 1.8 3.85 112 99 A 6 VAL H A 5 CYS HBy 1.0 1.8 3.85 113 100 A 6 VAL H A 6 VAL HG2% 1.0 1.8 3.92 114 100 A 6 VAL H A 6 VAL HG1% 1.0 1.8 3.92 115 101 A 7 ARG H A 6 VAL HG2% 1.0 1.8 4.08 116 101 A 7 ARG H A 6 VAL HG1% 1.0 1.8 4.08 117 102 A 7 ARG H A 7 ARG HBx 1.0 1.8 3.34 118 102 A 7 ARG H A 7 ARG HBy 1.0 1.8 3.34 119 103 A 7 ARG H A 7 ARG HGx 1.0 1.8 4.70 120 103 A 7 ARG H A 7 ARG HGy 1.0 1.8 4.70 121 104 A 7 ARG HH1% A 7 ARG HBx 1.0 1.8 4.66 122 104 A 7 ARG HBy A 7 ARG HH1% 1.0 1.8 4.66 123 105 A 7 ARG HH1% A 7 ARG HDx 1.0 1.8 3.51 124 105 A 7 ARG HH1% A 7 ARG HDy 1.0 1.8 3.51 125 106 A 8 ILE H A 8 ILE HG13 1.0 1.8 4.01 126 106 A 8 ILE H A 8 ILE HG12 1.0 1.8 4.01 127 107 A 8 ILE HG2% A 8 ILE HG13 1.0 1.8 3.15 128 107 A 8 ILE HG2% A 8 ILE HG12 1.0 1.8 3.15 129 108 A 11 THR H A 10 PRO HGx 1.0 1.8 4.25 130 108 A 11 THR H A 10 PRO HGy 1.0 1.8 4.25 131 109 A 11 THR H A 10 PRO HDx 1.0 1.8 3.71 132 109 A 11 THR H A 10 PRO HDy 1.0 1.8 3.71 133 110 A 12 VAL H A 12 VAL HG2% 1.0 1.8 4.09 134 110 A 12 VAL H A 12 VAL HG1% 1.0 1.8 4.09 135 111 A 13 ARG H A 12 VAL HG2% 1.0 1.8 3.81 136 111 A 13 ARG H A 12 VAL HG1% 1.0 1.8 3.81 137 112 A 16 VAL H A 16 VAL HG2% 1.0 1.8 3.96 138 112 A 16 VAL H A 16 VAL HG1% 1.0 1.8 3.96 139 113 A 17 ARG H A 16 VAL HG2% 1.0 1.8 4.09 140 113 A 17 ARG H A 16 VAL HG1% 1.0 1.8 4.09 141 114 A 17 ARG H A 17 ARG HBx 1.0 1.8 3.65 142 114 A 17 ARG H A 17 ARG HBy 1.0 1.8 3.65 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 2 VAL H A 17 ARG O 1.0 0.0 2.0 2 2 A 17 ARG O A 2 VAL N 1.0 0.0 3.0 3 3 A 4 TRP H A 15 THR O 1.0 0.0 2.0 4 4 A 15 THR O A 4 TRP N 1.0 0.0 3.0 5 5 A 6 VAL H A 13 ARG O 1.0 0.0 2.0 6 6 A 13 ARG O A 6 VAL N 1.0 0.0 3.0 7 7 A 8 ILE H A 11 THR O 1.0 0.0 2.0 8 8 A 11 THR O A 8 ILE N 1.0 0.0 3.0 9 9 A 11 THR H A 8 ILE O 1.0 0.0 2.0 10 10 A 8 ILE O A 11 THR N 1.0 0.0 3.0 11 11 A 13 ARG H A 6 VAL O 1.0 0.0 2.0 12 12 A 6 VAL O A 13 ARG N 1.0 0.0 3.0 13 13 A 15 THR H A 4 TRP O 1.0 0.0 2.0 14 14 A 4 TRP O A 15 THR N 1.0 0.0 3.0 15 15 A 17 ARG H A 2 VAL O 1.0 0.0 2.0 16 16 A 2 VAL O A 17 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 1 PRO C A 2 VAL N A 2 VAL CA A 2 VAL C 1.0 -160.0 -80.0 PHI 2 2 A 2 VAL N A 2 VAL CA A 2 VAL C A 3 THR N 1.0 100.0 180.0 PSI 3 3 A 2 VAL C A 3 THR N A 3 THR CA A 3 THR C 1.0 -130.0 -70.0 PHI 4 4 A 3 THR N A 3 THR CA A 3 THR C A 4 TRP N 1.0 100.0 160.0 PSI 5 5 A 3 THR C A 4 TRP N A 4 TRP CA A 4 TRP C 1.0 -150.0 -90.0 PHI 6 6 A 4 TRP N A 4 TRP CA A 4 TRP C A 5 CYS N 1.0 100.0 160.0 PSI 7 7 A 4 TRP C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -150.0 -90.0 PHI 8 8 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 VAL N 1.0 100.0 180.0 PSI 9 9 A 5 CYS C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -160.0 -100.0 PHI 10 10 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 ARG N 1.0 100.0 180.0 PSI 11 11 A 6 VAL C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -150.0 -70.0 PHI 12 12 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 ILE N 1.0 80.0 160.0 PSI 13 13 A 7 ARG C A 8 ILE N A 8 ILE CA A 8 ILE C 1.0 -150.0 -70.0 PHI 14 14 A 8 ILE N A 8 ILE CA A 8 ILE C A 9 DPR N 1.0 90.0 150.0 PSI 15 15 A 10 PRO C A 11 THR N A 11 THR CA A 11 THR C 1.0 -160.0 -60.0 PHI 16 16 A 11 THR N A 11 THR CA A 11 THR C A 12 VAL N 1.0 110.0 170.0 PSI 17 17 A 11 THR C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -140.0 -80.0 PHI 18 18 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 ARG N 1.0 90.0 170.0 PSI 19 19 A 12 VAL C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -150.0 -70.0 PHI 20 20 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 CYS N 1.0 90.0 150.0 PSI 21 21 A 13 ARG C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -150.0 -70.0 PHI 22 22 A 14 CYS N A 14 CYS CA A 14 CYS C A 15 THR N 1.0 90.0 170.0 PSI 23 23 A 14 CYS C A 15 THR N A 15 THR CA A 15 THR C 1.0 -150.0 -90.0 PHI 24 24 A 15 THR N A 15 THR CA A 15 THR C A 16 VAL N 1.0 100.0 160.0 PSI 25 25 A 15 THR C A 16 VAL N A 16 VAL CA A 16 VAL C 1.0 -140.0 -80.0 PHI 26 26 A 16 VAL N A 16 VAL CA A 16 VAL C A 17 ARG N 1.0 90.0 150.0 PSI 27 27 A 16 VAL C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -150.0 -70.0 PHI 28 28 A 17 ARG N A 17 ARG CA A 17 ARG C A 18 DPR N 1.0 80.0 180.0 PSI 29 29 A 5 CYS N A 5 CYS CA A 5 CYS CB A 5 CYS SG 1.0 -90.0 -30.0 CHI1 30 30 A 14 CYS N A 14 CYS CA A 14 CYS CB A 14 CYS SG 1.0 -90.0 -30.0 CHI1 31 31 A 17 ARG N A 17 ARG CA A 17 ARG CB A 17 ARG CG 1.0 -90.0 -30.0 CHI1 stop_ save_