data_nef_c30142_5kwx 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 30143 BMRB 30144 BMRB 30145 BMRB 30146 PDB 5KWX 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 1 CYS SG 1 15 CYS SG 1 5 CYS SG 1 25 CYS SG 1 5 CYS C 1 6 DPR N 1 6 DPR C 1 7 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 CYS start -HG . 2 A 2 SER middle . . 3 A 3 TYR middle . . 4 A 4 THR middle . . 5 A 5 CYS middle -HG,-OXT . 6 A 6 DPR middle -H,-OXT . 7 A 7 PRO middle -H false 8 A 8 GLN middle . . 9 A 9 THR middle . . 10 A 10 TYR middle . . 11 A 11 THR middle . . 12 A 12 PHE middle . . 13 A 13 PRO middle . false 14 A 14 THR middle . . 15 A 15 CYS middle -HG . 16 A 16 GLU middle . . 17 A 17 GLU middle . . 18 A 18 ALA middle . . 19 A 19 LYS middle . . 20 A 20 LYS middle . . 21 A 21 MET middle . . 22 A 22 LYS middle . . 23 A 23 LYS middle . . 24 A 24 ARG middle . . 25 A 25 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 CYS HA H 1 4.387 0.001 A 1 CYS HBx H 1 3.013 0.009 A 1 CYS HBy H 1 3.467 0.008 A 1 CYS CA C 13 57.051 0.000 A 1 CYS CB C 13 45.821 0.010 A 2 SER H H 1 9.204 0.003 A 2 SER HA H 1 5.705 0.002 A 2 SER HBx H 1 3.697 0.006 A 2 SER HBy H 1 3.770 0.005 A 2 SER CA C 13 57.579 0.000 A 2 SER CB C 13 66.129 0.006 A 2 SER N N 15 122.444 0.000 A 3 TYR H H 1 8.931 0.001 A 3 TYR HA H 1 4.973 0.002 A 3 TYR HB2 H 1 3.106 0.001 A 3 TYR HB3 H 1 3.106 0.001 A 3 TYR HDx H 1 6.974 0.002 A 3 TYR HDy H 1 6.974 0.002 A 3 TYR HEx H 1 6.704 0.003 A 3 TYR HEy H 1 6.704 0.003 A 3 TYR CA C 13 57.048 0.000 A 3 TYR CB C 13 41.363 0.000 A 3 TYR N N 15 120.544 0.000 A 4 THR H H 1 8.567 0.001 A 4 THR HA H 1 5.048 0.002 A 4 THR HB H 1 4.004 0.002 A 4 THR HG2% H 1 1.147 0.002 A 4 THR CA C 13 61.107 0.000 A 4 THR CB C 13 71.096 0.000 A 4 THR CG2 C 13 22.017 0.000 A 4 THR N N 15 117.104 0.000 A 5 CYS H H 1 8.959 0.003 A 5 CYS HA H 1 5.324 0.002 A 5 CYS HBx H 1 3.007 0.006 A 5 CYS HBy H 1 3.352 0.004 A 5 CYS CA C 13 51.875 0.000 A 5 CYS CB C 13 41.739 0.007 A 5 CYS N N 15 123.757 0.000 A 6 DPR HA H 1 3.943 0.002 A 6 DPR HBy H 1 2.321 0.002 A 6 DPR HBx H 1 1.936 0.011 A 6 DPR HDy H 1 3.942 0.002 A 6 DPR HDx H 1 3.642 0.002 A 6 DPR HGy H 1 2.174 0.006 A 6 DPR HGx H 1 2.040 0.017 A 6 DPR CA C 13 57.943 0.000 A 6 DPR CB C 13 30.513 0.000 A 6 DPR CD C 13 51.081 0.001 A 6 DPR CG C 13 27.800 0.023 A 7 PRO HA H 1 4.494 0.002 A 7 PRO HBx H 1 2.104 0.006 A 7 PRO HBy H 1 2.240 0.003 A 7 PRO HDx H 1 3.755 0.005 A 7 PRO HDy H 1 4.012 0.001 A 7 PRO HGx H 1 1.944 0.001 A 7 PRO HGy H 1 2.087 0.011 A 7 PRO CA C 13 63.590 0.000 A 7 PRO CB C 13 32.317 0.004 A 7 PRO CD C 13 50.506 0.012 A 7 PRO CG C 13 26.438 0.003 A 8 GLN H H 1 7.639 0.004 A 8 GLN HA H 1 4.448 0.004 A 8 GLN HBx H 1 1.752 0.010 A 8 GLN HBy H 1 1.949 0.004 A 8 GLN HGx H 1 2.067 0.002 A 8 GLN HGy H 1 2.128 0.002 A 8 GLN CA C 13 55.004 0.000 A 8 GLN CG C 13 33.807 0.010 A 8 GLN N N 15 120.191 0.000 A 9 THR H H 1 8.315 0.002 A 9 THR HA H 1 4.655 0.003 A 9 THR HB H 1 3.745 0.005 A 9 THR HG2% H 1 0.988 0.002 A 9 THR CA C 13 61.987 0.000 A 9 THR CB C 13 70.207 0.000 A 9 THR CG2 C 13 21.255 0.000 A 9 THR N N 15 119.726 0.000 A 10 TYR H H 1 8.944 0.002 A 10 TYR HA H 1 4.539 0.004 A 10 TYR HBx H 1 2.189 0.001 A 10 TYR HBy H 1 2.721 0.002 A 10 TYR HDx H 1 6.952 0.006 A 10 TYR HDy H 1 6.952 0.006 A 10 TYR HEx H 1 6.711 0.005 A 10 TYR HEy H 1 6.711 0.005 A 10 TYR CA C 13 56.729 0.000 A 10 TYR CB C 13 40.943 0.017 A 10 TYR N N 15 127.171 0.000 A 11 THR H H 1 8.212 0.001 A 11 THR HA H 1 4.880 0.006 A 11 THR HB H 1 3.807 0.005 A 11 THR HG2% H 1 1.041 0.002 A 11 THR CA C 13 61.102 0.000 A 11 THR CB C 13 70.622 0.000 A 11 THR CG2 C 13 21.322 0.000 A 11 THR N N 15 116.230 0.000 A 12 PHE H H 1 8.631 0.003 A 12 PHE HA H 1 5.031 0.003 A 12 PHE HBx H 1 2.716 0.003 A 12 PHE HBy H 1 3.287 0.006 A 12 PHE HDx H 1 7.232 0.006 A 12 PHE HDy H 1 7.232 0.006 A 12 PHE HEx H 1 7.304 0.002 A 12 PHE HEy H 1 7.304 0.002 A 12 PHE CA C 13 55.419 0.000 A 12 PHE CB C 13 42.487 0.005 A 12 PHE N N 15 122.624 0.000 A 13 PRO HA H 1 4.390 0.003 A 13 PRO HBx H 1 2.164 0.001 A 13 PRO HBy H 1 2.502 0.003 A 13 PRO HD2 H 1 4.021 0.003 A 13 PRO HD3 H 1 4.021 0.003 A 13 PRO HGy H 1 2.271 0.005 A 13 PRO HGx H 1 2.264 0.000 A 13 PRO CA C 13 65.489 0.000 A 13 PRO CB C 13 32.367 0.018 A 13 PRO CD C 13 50.881 0.000 A 13 PRO CG C 13 27.862 0.000 A 14 THR H H 1 7.192 0.001 A 14 THR HA H 1 4.853 0.006 A 14 THR HB H 1 4.569 0.008 A 14 THR HG2% H 1 1.270 0.005 A 14 THR CA C 13 58.901 0.000 A 14 THR CB C 13 71.961 0.000 A 14 THR CG2 C 13 21.415 0.000 A 14 THR N N 15 103.370 0.000 A 15 CYS H H 1 9.438 0.000 A 15 CYS HA H 1 4.709 0.006 A 15 CYS HBx H 1 3.070 0.006 A 15 CYS HBy H 1 3.291 0.004 A 15 CYS CA C 13 56.523 0.000 A 15 CYS CB C 13 39.566 0.012 A 15 CYS N N 15 119.991 0.000 A 16 GLU H H 1 8.650 0.001 A 16 GLU HA H 1 4.054 0.004 A 16 GLU HBx H 1 1.977 0.005 A 16 GLU HBy H 1 2.050 0.003 A 16 GLU HGx H 1 2.334 0.008 A 16 GLU HGy H 1 2.386 0.005 A 16 GLU CA C 13 58.979 0.000 A 16 GLU CB C 13 28.457 0.034 A 16 GLU CG C 13 34.752 0.028 A 16 GLU N N 15 122.401 0.000 A 17 GLU H H 1 7.755 0.001 A 17 GLU HA H 1 3.940 0.004 A 17 GLU HBx H 1 1.984 0.011 A 17 GLU HBy H 1 1.992 0.005 A 17 GLU HG2 H 1 2.293 0.007 A 17 GLU HG3 H 1 2.293 0.007 A 17 GLU CA C 13 58.024 0.000 A 17 GLU CB C 13 28.618 0.000 A 17 GLU CG C 13 34.466 0.000 A 17 GLU N N 15 118.734 0.000 A 18 ALA H H 1 7.339 0.003 A 18 ALA HA H 1 3.181 0.009 A 18 ALA HB% H 1 1.247 0.003 A 18 ALA CA C 13 54.366 0.000 A 18 ALA CB C 13 18.629 0.000 A 18 ALA N N 15 120.991 0.000 A 19 LYS H H 1 7.653 0.003 A 19 LYS HA H 1 3.903 0.002 A 19 LYS HB2 H 1 1.789 0.010 A 19 LYS HB3 H 1 1.789 0.010 A 19 LYS HD2 H 1 1.616 0.005 A 19 LYS HD3 H 1 1.616 0.005 A 19 LYS HE2 H 1 2.915 0.007 A 19 LYS HE3 H 1 2.915 0.007 A 19 LYS HG2 H 1 1.361 0.005 A 19 LYS HG3 H 1 1.465 0.002 A 19 LYS CA C 13 58.122 0.000 A 19 LYS CB C 13 32.481 0.000 A 19 LYS CD C 13 29.061 0.000 A 19 LYS CE C 13 41.842 0.000 A 19 LYS CG C 13 25.102 0.015 A 19 LYS N N 15 115.251 0.000 A 20 LYS H H 1 7.354 0.005 A 20 LYS HA H 1 4.097 0.001 A 20 LYS HBx H 1 1.751 0.003 A 20 LYS HBy H 1 1.822 0.002 A 20 LYS HD2 H 1 1.612 0.004 A 20 LYS HD3 H 1 1.612 0.004 A 20 LYS HE2 H 1 2.912 0.001 A 20 LYS HE3 H 1 2.912 0.001 A 20 LYS HGx H 1 1.345 0.002 A 20 LYS HGy H 1 1.444 0.002 A 20 LYS CA C 13 57.289 0.000 A 20 LYS CB C 13 32.737 0.000 A 20 LYS CD C 13 29.069 0.000 A 20 LYS CE C 13 41.824 0.000 A 20 LYS CG C 13 25.151 0.000 A 20 LYS N N 15 117.581 0.000 A 21 MET H H 1 7.461 0.001 A 21 MET HA H 1 4.317 0.003 A 21 MET HBx H 1 1.781 0.005 A 21 MET HBy H 1 1.934 0.006 A 21 MET HG2 H 1 2.410 0.006 A 21 MET HG3 H 1 2.410 0.006 A 21 MET CA C 13 55.220 0.000 A 21 MET CG C 13 32.142 0.000 A 21 MET N N 15 117.846 0.000 A 22 LYS H H 1 7.954 0.001 A 22 LYS HA H 1 4.031 0.002 A 22 LYS HBx H 1 1.640 0.008 A 22 LYS HBy H 1 1.687 0.005 A 22 LYS HD2 H 1 1.578 0.001 A 22 LYS HD3 H 1 1.578 0.001 A 22 LYS HE2 H 1 2.932 0.000 A 22 LYS HE3 H 1 2.932 0.000 A 22 LYS HG2 H 1 1.292 0.006 A 22 LYS HG3 H 1 1.292 0.006 A 22 LYS CA C 13 56.897 0.000 A 22 LYS CB C 13 32.235 0.006 A 22 LYS CD C 13 28.978 0.000 A 22 LYS CG C 13 24.611 0.000 A 22 LYS N N 15 121.997 0.000 A 23 LYS H H 1 7.902 0.003 A 23 LYS HA H 1 4.178 0.003 A 23 LYS HBx H 1 1.696 0.008 A 23 LYS HBy H 1 1.729 0.014 A 23 LYS HD2 H 1 1.565 0.004 A 23 LYS HD3 H 1 1.565 0.004 A 23 LYS HE2 H 1 2.873 0.000 A 23 LYS HE3 H 1 2.873 0.000 A 23 LYS HGx H 1 1.234 0.008 A 23 LYS HGy H 1 1.342 0.004 A 23 LYS CA C 13 56.368 0.000 A 23 LYS CB C 13 33.403 0.064 A 23 LYS CG C 13 24.886 0.000 A 23 LYS N N 15 121.750 0.000 A 24 ARG H H 1 8.098 0.002 A 24 ARG HA H 1 4.277 0.002 A 24 ARG HBx H 1 1.680 0.002 A 24 ARG HBy H 1 1.873 0.003 A 24 ARG HD2 H 1 3.042 0.002 A 24 ARG HD3 H 1 3.042 0.002 A 24 ARG HE H 1 7.115 0.001 A 24 ARG HG2 H 1 1.551 0.003 A 24 ARG HG3 H 1 1.551 0.003 A 24 ARG CA C 13 56.181 0.000 A 24 ARG CB C 13 30.450 0.015 A 24 ARG CD C 13 43.066 0.000 A 24 ARG CG C 13 26.999 0.000 A 24 ARG N N 15 120.795 0.000 A 25 CYS H H 1 7.908 0.002 A 25 CYS HA H 1 4.552 0.004 A 25 CYS HBx H 1 3.232 0.008 A 25 CYS HBy H 1 3.256 0.011 A 25 CYS CA C 13 56.743 0.000 A 25 CYS CB C 13 42.863 0.002 A 25 CYS N N 15 123.423 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 13 PRO HD2 A 14 THR H 1.0 1.8 3.84 2 2 A 12 PHE H A 12 PHE HBx 1.0 1.8 3.55 3 3 A 12 PHE H A 12 PHE HBy 1.0 1.8 4.11 4 4 A 12 PHE H A 11 THR HG2% 1.0 1.8 3.75 5 5 A 12 PHE H A 11 THR HA 1.0 1.8 2.91 6 6 A 12 PHE H A 11 THR HB 1.0 1.8 4.19 7 7 A 12 PHE H A 12 PHE HD% 1.0 1.8 4.35 8 8 A 10 TYR HA A 11 THR H 1.0 1.8 2.99 9 9 A 11 THR H A 10 TYR HBx 1.0 1.8 4.65 10 10 A 11 THR H A 10 TYR HBy 1.0 1.8 4.65 11 11 A 14 THR H A 14 THR HG2% 1.0 1.8 3.83 12 12 A 11 THR HG2% A 11 THR H 1.0 1.8 4.17 13 13 A 11 THR HB A 11 THR H 1.0 1.8 3.66 14 14 A 10 TYR H A 10 TYR HBx 1.0 1.8 4.15 15 15 A 10 TYR H A 10 TYR HBy 1.0 1.8 4.15 16 16 A 10 TYR HA A 10 TYR HE% 1.0 1.8 4.61 17 17 A 3 TYR HE% A 10 TYR HBx 1.0 1.8 4.66 18 18 A 10 TYR H A 10 TYR HD% 1.0 1.8 4.56 19 19 A 10 TYR H A 9 THR HA 1.0 1.8 2.90 20 20 A 9 THR H A 9 THR HB 1.0 1.8 3.42 21 21 A 10 TYR H A 9 THR HG2% 1.0 1.8 3.71 22 22 A 9 THR H A 9 THR HG2% 1.0 1.8 4.43 23 23 A 9 THR H A 8 GLN H 1.0 1.8 4.59 24 24 A 9 THR H A 8 GLN HA 1.0 1.8 2.89 25 25 A 5 CYS H A 5 CYS HBx 1.0 1.8 4.10 26 26 A 5 CYS H A 5 CYS HBy 1.0 1.8 4.10 27 27 A 5 CYS H A 4 THR HB 1.0 1.8 4.25 28 28 A 5 CYS H A 4 THR HA 1.0 1.8 2.90 29 29 A 5 CYS H A 4 THR HG2% 1.0 1.8 3.86 30 30 A 4 THR HG2% A 4 THR H 1.0 1.8 4.11 31 31 A 4 THR HB A 4 THR H 1.0 1.8 3.62 32 32 A 5 CYS H A 4 THR H 1.0 1.8 4.74 33 33 A 4 THR H A 3 TYR HA 1.0 1.8 3.02 34 34 A 3 TYR HA A 3 TYR HD% 1.0 1.8 4.00 35 35 A 2 SER HA A 3 TYR H 1.0 1.8 3.03 36 36 A 3 TYR H A 2 SER HBx 1.0 1.8 3.78 37 37 A 3 TYR H A 2 SER HBy 1.0 1.8 3.78 38 38 A 3 TYR H A 3 TYR HB2 1.0 1.8 4.17 39 39 A 3 TYR H A 3 TYR HB3 1.0 1.8 4.17 40 40 A 2 SER H A 1 CYS HBx 1.0 1.8 4.74 41 41 A 2 SER H A 1 CYS HBy 1.0 1.8 4.74 42 42 A 2 SER H A 1 CYS HA 1.0 1.8 3.08 43 43 A 14 THR HG2% A 15 CYS H 1.0 1.8 4.47 44 44 A 15 CYS H A 14 THR HA 1.0 1.8 3.26 45 45 A 15 CYS H A 14 THR HB 1.0 1.8 4.09 46 46 A 15 CYS H A 16 GLU H 1.0 1.8 3.79 47 47 A 16 GLU H A 16 GLU HGx 1.0 1.8 4.51 48 48 A 16 GLU H A 16 GLU HGy 1.0 1.8 4.51 49 49 A 16 GLU H A 16 GLU HBx 1.0 1.8 3.66 50 50 A 16 GLU H A 16 GLU HBy 1.0 1.8 3.66 51 51 A 16 GLU H A 17 GLU H 1.0 1.8 3.69 52 52 A 17 GLU H A 17 GLU HG2 1.0 1.8 5.30 53 53 A 17 GLU H A 17 GLU HG3 1.0 1.8 5.30 54 54 A 17 GLU H A 17 GLU HBx 1.0 1.8 3.88 55 55 A 17 GLU H A 17 GLU HBy 1.0 1.8 3.88 56 56 A 18 ALA H A 18 ALA HB% 1.0 1.8 3.18 57 57 A 18 ALA H A 17 GLU HG2 1.0 1.8 5.50 58 58 A 18 ALA H A 17 GLU HG3 1.0 1.8 5.50 59 59 A 18 ALA H A 15 CYS HA 1.0 1.8 4.43 60 60 A 17 GLU H A 18 ALA H 1.0 1.8 3.48 61 61 A 18 ALA HB% A 19 LYS H 1.0 1.8 3.67 62 62 A 18 ALA H A 19 LYS H 1.0 1.8 3.26 63 63 A 19 LYS H A 19 LYS HE2 1.0 1.8 5.50 64 64 A 19 LYS H A 19 LYS HE3 1.0 1.8 5.50 65 65 A 20 LYS H A 20 LYS HD2 1.0 1.8 5.50 66 66 A 20 LYS H A 20 LYS HD3 1.0 1.8 5.50 67 67 A 20 LYS H A 20 LYS HGx 1.0 1.8 4.80 68 68 A 20 LYS H A 20 LYS HGy 1.0 1.8 4.80 69 69 A 21 MET H A 21 MET HBx 1.0 1.8 3.95 70 70 A 21 MET H A 21 MET HBy 1.0 1.8 3.95 71 71 A 21 MET H A 21 MET HG2 1.0 1.8 5.50 72 72 A 21 MET H A 21 MET HG3 1.0 1.8 5.50 73 73 A 20 LYS H A 21 MET H 1.0 1.8 3.68 74 74 A 12 PHE H A 2 SER HA 1.0 1.8 4.34 75 75 A 21 MET HA A 22 LYS H 1.0 1.8 3.31 76 76 A 22 LYS H A 21 MET HBx 1.0 1.8 4.57 77 77 A 22 LYS H A 22 LYS HG2 1.0 1.8 5.44 78 78 A 22 LYS H A 22 LYS HG3 1.0 1.8 5.44 79 79 A 22 LYS H A 21 MET HBy 1.0 1.8 4.57 80 80 A 21 MET H A 22 LYS H 1.0 1.8 4.25 81 81 A 22 LYS HA A 23 LYS H 1.0 1.8 3.19 82 82 A 23 LYS H A 24 ARG H 1.0 1.8 4.93 83 83 A 24 ARG H A 25 CYS H 1.0 1.8 5.10 84 84 A 24 ARG H A 23 LYS HA 1.0 1.8 3.16 85 85 A 24 ARG H A 24 ARG HBx 1.0 1.8 4.07 86 86 A 24 ARG H A 24 ARG HBy 1.0 1.8 4.07 87 87 A 24 ARG H A 24 ARG HG2 1.0 1.8 5.49 88 88 A 24 ARG H A 24 ARG HG3 1.0 1.8 5.49 89 89 A 25 CYS H A 24 ARG HA 1.0 1.8 3.51 90 90 A 4 THR H A 3 TYR HD% 1.0 1.8 4.25 91 91 A 9 THR HG2% A 4 THR HA 1.0 1.8 4.79 92 92 A 5 CYS H A 8 GLN HBx 1.0 1.8 5.37 93 93 A 5 CYS H A 8 GLN HBy 1.0 1.8 5.37 94 94 A 3 TYR HE% A 5 CYS H 1.0 1.8 4.51 95 95 A 8 GLN H A 5 CYS H 1.0 1.8 4.27 96 96 A 10 TYR HD% A 5 CYS HBy 1.0 1.8 4.92 97 97 A 3 TYR HE% A 5 CYS HBy 1.0 1.8 4.08 98 98 A 3 TYR HE% A 4 THR HA 1.0 1.8 5.11 99 99 A 11 THR H A 10 TYR HD% 1.0 1.8 4.67 100 100 A 12 PHE HD% A 18 ALA HA 1.0 1.8 4.25 101 101 A 13 PRO HD2 A 12 PHE HE% 1.0 1.8 4.69 102 102 A 14 THR H A 12 PHE HBy 1.0 1.8 4.23 103 103 A 14 THR H A 17 GLU H 1.0 1.8 5.04 104 104 A 15 CYS HA A 1 CYS HBy 1.0 1.8 4.62 105 105 A 14 THR HG2% A 16 GLU H 1.0 1.8 4.46 106 106 A 14 THR HB A 16 GLU H 1.0 1.8 3.69 107 107 A 16 GLU H A 18 ALA H 1.0 1.8 4.67 108 108 A 14 THR HB A 17 GLU H 1.0 1.8 4.91 109 109 A 12 PHE HBy A 18 ALA HB% 1.0 1.8 4.46 110 110 A 19 LYS H A 19 LYS HD2 1.0 1.8 5.50 111 111 A 19 LYS H A 19 LYS HD3 1.0 1.8 5.50 112 112 A 3 TYR HE% A 24 ARG H 1.0 1.8 4.84 113 113 A 4 THR HA A 4 THR HG2% 1.0 1.8 3.49 114 114 A 9 THR HA A 4 THR HG2% 1.0 1.8 4.03 115 115 A 9 THR HA A 9 THR HG2% 1.0 1.8 3.46 116 116 A 5 CYS HA A 25 CYS HBx 1.0 1.8 4.66 117 117 A 5 CYS HA A 25 CYS HBy 1.0 1.8 4.66 118 118 A 5 CYS HA A 6 DPR HDy 1.0 1.8 3.57 119 119 A 4 THR HG2% A 5 CYS HA 1.0 1.8 4.95 120 120 A 10 TYR HA A 10 TYR HD% 1.0 1.8 3.79 121 121 A 10 TYR HD% A 9 THR HA 1.0 1.8 5.50 122 122 A 10 TYR HD% A 5 CYS HBx 1.0 1.8 4.92 123 123 A 3 TYR HE% A 5 CYS HBx 1.0 1.8 4.08 124 124 A 3 TYR HE% A 10 TYR HBy 1.0 1.8 4.66 125 125 A 11 THR HG2% A 11 THR HA 1.0 1.8 3.54 126 126 A 13 PRO HD2 A 12 PHE HA 1.0 1.8 2.94 127 127 A 12 PHE HA A 13 PRO HD3 1.0 1.8 3.21 128 128 A 13 PRO HD2 A 12 PHE HBy 1.0 1.8 3.91 129 129 A 13 PRO HD2 A 12 PHE HBx 1.0 1.8 4.16 130 130 A 12 PHE HE% A 12 PHE HA 1.0 1.8 4.86 131 131 A 12 PHE HD% A 12 PHE HA 1.0 1.8 3.61 132 132 A 11 THR HA A 12 PHE HD% 1.0 1.8 5.50 133 133 A 13 PRO HD2 A 12 PHE HD% 1.0 1.8 3.65 134 134 A 12 PHE HD% A 21 MET HG2 1.0 1.8 5.50 135 135 A 12 PHE HD% A 21 MET HG3 1.0 1.8 5.50 136 136 A 18 ALA HB% A 12 PHE HE% 1.0 1.8 4.01 137 137 A 12 PHE HD% A 18 ALA HB% 1.0 1.8 3.50 138 138 A 14 THR HG2% A 14 THR HA 1.0 1.8 3.43 139 139 A 18 ALA HB% A 15 CYS HA 1.0 1.8 3.61 140 140 A 15 CYS HA A 1 CYS HBx 1.0 1.8 4.62 141 141 A 18 ALA HB% A 19 LYS HA 1.0 1.8 4.52 142 142 A 19 LYS HA A 19 LYS HD2 1.0 1.8 5.33 143 143 A 19 LYS HA A 19 LYS HD3 1.0 1.8 5.33 144 144 A 19 LYS HE2 A 19 LYS HB2 1.0 1.8 4.84 145 144 A 19 LYS HB3 A 19 LYS HE2 1.0 1.8 4.84 146 145 A 19 LYS HB2 A 19 LYS HE3 1.0 1.8 4.84 147 145 A 19 LYS HB3 A 19 LYS HE3 1.0 1.8 4.84 148 146 A 22 LYS HA A 22 LYS HD2 1.0 1.8 4.40 149 146 A 22 LYS HA A 22 LYS HD3 1.0 1.8 4.40 150 147 A 23 LYS HA A 23 LYS HD2 1.0 1.8 5.50 151 148 A 23 LYS HA A 23 LYS HD3 1.0 1.8 5.50 152 149 A 24 ARG HA A 24 ARG HD2 1.0 1.8 5.07 153 150 A 24 ARG HA A 24 ARG HD3 1.0 1.8 5.07 154 151 A 12 PHE HBx A 18 ALA HB% 1.0 1.8 3.93 155 152 A 11 THR HG2% A 2 SER HA 1.0 1.8 4.53 156 153 A 2 SER H A 1 CYS HBy 1.0 1.8 4.17 157 153 A 2 SER H A 1 CYS HBx 1.0 1.8 4.17 158 154 A 12 PHE H A 1 CYS HBy 1.0 1.8 4.77 159 154 A 12 PHE H A 1 CYS HBx 1.0 1.8 4.77 160 155 A 12 PHE HBx A 1 CYS HBy 1.0 1.8 4.39 161 155 A 12 PHE HBx A 1 CYS HBx 1.0 1.8 4.39 162 156 A 12 PHE HD% A 1 CYS HBy 1.0 1.8 4.59 163 156 A 12 PHE HD% A 1 CYS HBx 1.0 1.8 4.59 164 157 A 15 CYS HA A 1 CYS HBy 1.0 1.8 3.87 165 157 A 15 CYS HA A 1 CYS HBx 1.0 1.8 3.87 166 158 A 18 ALA HB% A 1 CYS HBy 1.0 1.8 4.15 167 158 A 18 ALA HB% A 1 CYS HBx 1.0 1.8 4.15 168 159 A 2 SER H A 2 SER HBy 1.0 1.8 3.61 169 159 A 2 SER H A 2 SER HBx 1.0 1.8 3.61 170 160 A 11 THR HA A 2 SER HBy 1.0 1.8 4.87 171 160 A 11 THR HA A 2 SER HBx 1.0 1.8 4.87 172 161 A 3 TYR H A 3 TYR HB3 1.0 1.8 3.56 173 161 A 3 TYR H A 3 TYR HB2 1.0 1.8 3.56 174 162 A 4 THR H A 3 TYR HB3 1.0 1.8 3.51 175 162 A 4 THR H A 3 TYR HB2 1.0 1.8 3.51 176 163 A 3 TYR HB3 A 10 TYR HBy 1.0 1.8 4.25 177 163 A 3 TYR HB2 A 10 TYR HBy 1.0 1.8 4.25 178 163 A 10 TYR HBx A 3 TYR HB3 1.0 1.8 4.25 179 163 A 3 TYR HB2 A 10 TYR HBx 1.0 1.8 4.25 180 164 A 3 TYR HE% A 5 CYS HBy 1.0 1.8 3.56 181 164 A 3 TYR HE% A 5 CYS HBx 1.0 1.8 3.56 182 165 A 3 TYR HE% A 10 TYR HBy 1.0 1.8 3.92 183 165 A 3 TYR HE% A 10 TYR HBx 1.0 1.8 3.92 184 166 A 3 TYR HE% A 23 LYS HBx 1.0 1.8 3.71 185 166 A 3 TYR HE% A 23 LYS HBy 1.0 1.8 3.71 186 167 A 3 TYR HE% A 23 LYS HD3 1.0 1.8 4.17 187 167 A 3 TYR HE% A 23 LYS HD2 1.0 1.8 4.17 188 168 A 5 CYS H A 5 CYS HBy 1.0 1.8 3.53 189 168 A 5 CYS H A 5 CYS HBx 1.0 1.8 3.53 190 169 A 5 CYS H A 8 GLN HBx 1.0 1.8 4.64 191 169 A 5 CYS H A 8 GLN HBy 1.0 1.8 4.64 192 170 A 6 DPR HA A 7 PRO HGx 1.0 1.8 4.22 193 170 A 6 DPR HA A 7 PRO HGy 1.0 1.8 4.22 194 171 A 6 DPR HBy A 7 PRO HDx 1.0 1.8 4.17 195 171 A 6 DPR HBy A 7 PRO HDy 1.0 1.8 4.17 196 172 A 8 GLN H A 7 PRO HBx 1.0 1.8 3.95 197 172 A 8 GLN H A 7 PRO HBy 1.0 1.8 3.95 198 173 A 8 GLN H A 7 PRO HGx 1.0 1.8 3.78 199 173 A 8 GLN H A 7 PRO HGy 1.0 1.8 3.78 200 174 A 8 GLN H A 7 PRO HDx 1.0 1.8 3.66 201 174 A 8 GLN H A 7 PRO HDy 1.0 1.8 3.66 202 175 A 8 GLN H A 8 GLN HBx 1.0 1.8 3.64 203 175 A 8 GLN H A 8 GLN HBy 1.0 1.8 3.64 204 176 A 10 TYR H A 10 TYR HBy 1.0 1.8 3.29 205 176 A 10 TYR H A 10 TYR HBx 1.0 1.8 3.29 206 177 A 11 THR H A 10 TYR HBy 1.0 1.8 3.90 207 177 A 11 THR H A 10 TYR HBx 1.0 1.8 3.90 208 178 A 12 PHE HA A 13 PRO HBx 1.0 1.8 4.88 209 178 A 12 PHE HA A 13 PRO HBy 1.0 1.8 4.88 210 179 A 12 PHE HD% A 21 MET HBy 1.0 1.8 4.80 211 179 A 12 PHE HD% A 21 MET HBx 1.0 1.8 4.80 212 180 A 12 PHE HE% A 21 MET HBy 1.0 1.8 4.51 213 180 A 12 PHE HE% A 21 MET HBx 1.0 1.8 4.51 214 181 A 12 PHE HE% A 21 MET HG2 1.0 1.8 4.24 215 181 A 12 PHE HE% A 21 MET HG3 1.0 1.8 4.24 216 182 A 14 THR H A 13 PRO HBx 1.0 1.8 3.72 217 182 A 14 THR H A 13 PRO HBy 1.0 1.8 3.72 218 183 A 14 THR H A 13 PRO HGy 1.0 1.8 4.23 219 183 A 14 THR H A 13 PRO HGx 1.0 1.8 4.23 220 184 A 15 CYS H A 15 CYS HBx 1.0 1.8 3.41 221 184 A 15 CYS H A 15 CYS HBy 1.0 1.8 3.41 222 185 A 16 GLU H A 15 CYS HBx 1.0 1.8 4.14 223 185 A 16 GLU H A 15 CYS HBy 1.0 1.8 4.14 224 186 A 18 ALA HB% A 15 CYS HBx 1.0 1.8 4.10 225 186 A 18 ALA HB% A 15 CYS HBy 1.0 1.8 4.10 226 187 A 16 GLU H A 16 GLU HBy 1.0 1.8 3.12 227 187 A 16 GLU H A 16 GLU HBx 1.0 1.8 3.12 228 188 A 17 GLU H A 17 GLU HBy 1.0 1.8 3.19 229 188 A 17 GLU H A 17 GLU HBx 1.0 1.8 3.19 230 189 A 17 GLU H A 17 GLU HG3 1.0 1.8 4.54 231 189 A 17 GLU H A 17 GLU HG2 1.0 1.8 4.54 232 190 A 19 LYS H A 19 LYS HG2 1.0 1.8 3.90 233 190 A 19 LYS H A 19 LYS HG3 1.0 1.8 3.90 234 191 A 19 LYS HA A 19 LYS HD3 1.0 1.8 4.62 235 191 A 19 LYS HA A 19 LYS HD2 1.0 1.8 4.62 236 192 A 19 LYS HB2 A 19 LYS HE3 1.0 1.8 4.17 237 192 A 19 LYS HB3 A 19 LYS HE3 1.0 1.8 4.17 238 192 A 19 LYS HE2 A 19 LYS HB2 1.0 1.8 4.17 239 192 A 19 LYS HB3 A 19 LYS HE2 1.0 1.8 4.17 240 193 A 20 LYS H A 20 LYS HBx 1.0 1.8 3.29 241 193 A 20 LYS H A 20 LYS HBy 1.0 1.8 3.29 242 194 A 20 LYS H A 20 LYS HGy 1.0 1.8 4.17 243 194 A 20 LYS H A 20 LYS HGx 1.0 1.8 4.17 244 195 A 21 MET H A 20 LYS HD3 1.0 1.8 5.34 245 195 A 21 MET H A 20 LYS HD2 1.0 1.8 5.34 246 196 A 21 MET H A 21 MET HBy 1.0 1.8 3.17 247 196 A 21 MET H A 21 MET HBx 1.0 1.8 3.17 248 197 A 21 MET H A 21 MET HG2 1.0 1.8 4.73 249 197 A 21 MET H A 21 MET HG3 1.0 1.8 4.73 250 198 A 22 LYS H A 21 MET HBy 1.0 1.8 4.02 251 198 A 22 LYS H A 21 MET HBx 1.0 1.8 4.02 252 199 A 22 LYS H A 22 LYS HBx 1.0 1.8 3.47 253 199 A 22 LYS H A 22 LYS HBy 1.0 1.8 3.47 254 200 A 22 LYS H A 22 LYS HG3 1.0 1.8 4.59 255 200 A 22 LYS H A 22 LYS HG2 1.0 1.8 4.59 256 201 A 23 LYS H A 22 LYS HBx 1.0 1.8 4.08 257 201 A 23 LYS H A 22 LYS HBy 1.0 1.8 4.08 258 202 A 23 LYS H A 23 LYS HGx 1.0 1.8 4.08 259 202 A 23 LYS H A 23 LYS HGy 1.0 1.8 4.08 260 203 A 23 LYS H A 23 LYS HD3 1.0 1.8 5.34 261 203 A 23 LYS H A 23 LYS HD2 1.0 1.8 5.34 262 204 A 23 LYS HA A 23 LYS HD3 1.0 1.8 4.67 263 204 A 23 LYS HA A 23 LYS HD2 1.0 1.8 4.67 264 205 A 24 ARG H A 23 LYS HGx 1.0 1.8 4.68 265 205 A 24 ARG H A 23 LYS HGy 1.0 1.8 4.68 266 206 A 24 ARG H A 24 ARG HBy 1.0 1.8 3.28 267 206 A 24 ARG H A 24 ARG HBx 1.0 1.8 3.28 268 207 A 24 ARG H A 24 ARG HG3 1.0 1.8 4.72 269 207 A 24 ARG H A 24 ARG HG2 1.0 1.8 4.72 270 208 A 24 ARG HA A 24 ARG HD3 1.0 1.8 4.34 271 208 A 24 ARG HA A 24 ARG HD2 1.0 1.8 4.34 272 209 A 24 ARG HBy A 24 ARG HG3 1.0 1.8 2.35 273 209 A 24 ARG HBx A 24 ARG HG3 1.0 1.8 2.35 274 209 A 24 ARG HG2 A 24 ARG HBy 1.0 1.8 2.35 275 209 A 24 ARG HBx A 24 ARG HG2 1.0 1.8 2.35 276 210 A 25 CYS H A 24 ARG HBy 1.0 1.8 4.40 277 210 A 25 CYS H A 24 ARG HBx 1.0 1.8 4.40 278 211 A 24 ARG HH1% A 24 ARG HG3 1.0 1.8 4.66 279 211 A 24 ARG HG2 A 24 ARG HH1% 1.0 1.8 4.66 280 212 A 25 CYS H A 24 ARG HG3 1.0 1.8 5.34 281 212 A 25 CYS H A 24 ARG HG2 1.0 1.8 5.34 282 213 A 24 ARG HH1% A 24 ARG HD3 1.0 1.8 3.65 283 213 A 24 ARG HD2 A 24 ARG HH1% 1.0 1.8 3.65 284 214 A 25 CYS H A 25 CYS HBy 1.0 1.8 3.47 285 214 A 25 CYS H A 25 CYS HBx 1.0 1.8 3.47 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 3 TYR H A 10 TYR O 1.0 0.0 2.0 2 2 A 10 TYR O A 3 TYR N 1.0 0.0 3.0 3 3 A 5 CYS H A 8 GLN O 1.0 0.0 2.0 4 4 A 8 GLN O A 5 CYS N 1.0 0.0 3.0 5 5 A 8 GLN H A 5 CYS O 1.0 0.0 2.0 6 6 A 5 CYS O A 8 GLN N 1.0 0.0 3.0 7 7 A 10 TYR H A 3 TYR O 1.0 0.0 2.0 8 8 A 3 TYR O A 10 TYR N 1.0 0.0 3.0 9 9 A 18 ALA H A 14 THR O 1.0 0.0 2.0 10 10 A 14 THR O A 18 ALA N 1.0 0.0 3.0 11 11 A 20 LYS H A 17 GLU O 1.0 0.0 2.0 12 12 A 17 GLU O A 20 LYS N 1.0 0.0 3.0 13 13 A 21 MET H A 17 GLU O 1.0 0.0 2.0 14 14 A 17 GLU O A 21 MET 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 CYS C A 2 SER N A 2 SER CA A 2 SER C 1.0 -160.0 -100.0 PHI 2 2 A 2 SER N A 2 SER CA A 2 SER C A 3 TYR N 1.0 100.0 180.0 PSI 3 3 A 2 SER C A 3 TYR N A 3 TYR CA A 3 TYR C 1.0 -160.0 -100.0 PHI 4 4 A 3 TYR N A 3 TYR CA A 3 TYR C A 4 THR N 1.0 115.0 175.0 PSI 5 5 A 3 TYR C A 4 THR N A 4 THR CA A 4 THR C 1.0 -150.0 -90.0 PHI 6 6 A 4 THR N A 4 THR CA A 4 THR C A 5 CYS N 1.0 105.0 165.0 PSI 7 7 A 4 THR C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -140.0 -80.0 PHI 8 8 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 DPR N 1.0 70.0 150.0 PSI 9 9 A 7 PRO C A 8 GLN N A 8 GLN CA A 8 GLN C 1.0 -180.0 -60.0 PHI 10 10 A 8 GLN N A 8 GLN CA A 8 GLN C A 9 THR N 1.0 60.0 180.0 PSI 11 11 A 8 GLN C A 9 THR N A 9 THR CA A 9 THR C 1.0 -140.0 -60.0 PHI 12 12 A 9 THR N A 9 THR CA A 9 THR C A 10 TYR N 1.0 90.0 150.0 PSI 13 13 A 9 THR C A 10 TYR N A 10 TYR CA A 10 TYR C 1.0 -130.0 -70.0 PHI 14 14 A 10 TYR N A 10 TYR CA A 10 TYR C A 11 THR N 1.0 100.0 160.0 PSI 15 15 A 10 TYR C A 11 THR N A 11 THR CA A 11 THR C 1.0 -150.0 -90.0 PHI 16 16 A 11 THR N A 11 THR CA A 11 THR C A 12 PHE N 1.0 100.0 160.0 PSI 17 17 A 11 THR C A 12 PHE N A 12 PHE CA A 12 PHE C 1.0 -160.0 -40.0 PHI 18 18 A 12 PHE N A 12 PHE CA A 12 PHE C A 13 PRO N 1.0 60.0 180.0 PSI 19 19 A 15 CYS C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -100.0 -40.0 PHI 20 20 A 15 CYS C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -90.0 -30.0 PHI 21 21 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 GLU N 1.0 -60.0 0.0 PSI 22 22 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 GLU N 1.0 -70.0 -10.0 PSI 23 23 A 16 GLU C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -90.0 -30.0 PHI 24 24 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 ALA N 1.0 -70.0 -10.0 PSI 25 25 A 17 GLU C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -100.0 -40.0 PHI 26 26 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 LYS N 1.0 -60.0 0.0 PSI 27 27 A 18 ALA C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -100.0 -40.0 PHI 28 28 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 LYS N 1.0 -65.0 -5.0 PSI 29 29 A 19 LYS C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -120.0 -40.0 PHI 30 30 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 MET N 1.0 -60.0 20.0 PSI 31 31 A 1 CYS N A 1 CYS CA A 1 CYS CB A 1 CYS SG 1.0 -210.0 -30.0 CHI1 32 32 A 2 SER N A 2 SER CA A 2 SER CB A 2 SER OG 1.0 -210.0 -30.0 CHI1 33 33 A 10 TYR N A 10 TYR CA A 10 TYR CB A 10 TYR CG 1.0 150.0 210.0 CHI1 34 34 A 12 PHE N A 12 PHE CA A 12 PHE CB A 12 PHE CG 1.0 150.0 210.0 CHI1 35 35 A 15 CYS N A 15 CYS CA A 15 CYS CB A 15 CYS SG 1.0 150.0 210.0 CHI1 36 36 A 20 LYS N A 20 LYS CA A 20 LYS CB A 20 LYS CG 1.0 150.0 210.0 CHI1 37 37 A 21 MET N A 21 MET CA A 21 MET CB A 21 MET CG 1.0 150.0 210.0 CHI1 38 38 A 24 ARG N A 24 ARG CA A 24 ARG CB A 24 ARG CG 1.0 150.0 210.0 CHI1 stop_ save_