data_nef_c26674_2n8h 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 26675 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 3 CYS SG 1 18 CYS SG 1 10 CYS SG 1 22 CYS SG 1 17 CYS SG 1 29 CYS SG 1 5 ASP C 1 6 HYP N 1 6 HYP C 1 7 GLY 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 GLY start . false 2 A 2 TRP middle . . 3 A 3 CYS middle -HG . 4 A 4 GLY middle . false 5 A 5 ASP middle . . 6 A 6 HYP middle . . 7 A 7 GLY middle . false 8 A 8 ALA middle . . 9 A 9 THR middle . . 10 A 10 CYS middle -HG . 11 A 11 GLY middle . false 12 A 12 LYS middle . . 13 A 13 LEU middle . . 14 A 14 ARG middle . . 15 A 15 LEU middle . . 16 A 16 TYR middle . . 17 A 17 CYS middle -HG . 18 A 18 CYS middle -HG . 19 A 19 SER middle . . 20 A 20 GLY middle . false 21 A 21 PHE middle . . 22 A 22 CYS middle -HG . 23 A 23 ASP middle . . 24 A 24 SER middle . . 25 A 25 TYR middle . . 26 A 26 THR middle . . 27 A 27 LYS middle . . 28 A 28 THR middle . . 29 A 29 CYS middle -HG . 30 A 30 LYS middle . . 31 A 31 ASP middle . . 32 A 32 LYS middle . . 33 A 33 SER middle . . 34 A 34 SER middle . . 35 A 35 ALA end . . 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 GLY HAx H 1 3.779 0.017 A 1 GLY HAy H 1 3.888 0.007 A 1 GLY CA C 13 42.742 0.009 A 2 TRP H H 1 8.485 0.002 A 2 TRP HA H 1 4.831 0.011 A 2 TRP HBx H 1 2.682 0.000 A 2 TRP HBy H 1 3.293 0.013 A 2 TRP HD1 H 1 7.310 0.011 A 2 TRP HE1 H 1 10.171 0.002 A 2 TRP HE3 H 1 7.571 0.001 A 2 TRP HH2 H 1 7.233 0.009 A 2 TRP HZ2 H 1 7.512 0.007 A 2 TRP HZ3 H 1 7.080 0.014 A 2 TRP CB C 13 29.326 0.000 A 2 TRP CE3 C 13 120.633 0.000 A 2 TRP CZ2 C 13 114.431 0.000 A 2 TRP CZ3 C 13 121.868 0.000 A 2 TRP N N 15 120.397 0.000 A 3 CYS H H 1 7.732 0.005 A 3 CYS HA H 1 4.633 0.000 A 3 CYS HBx H 1 2.441 0.000 A 3 CYS HBy H 1 2.791 0.000 A 3 CYS CA C 13 53.194 0.000 A 3 CYS CB C 13 42.423 0.013 A 4 GLY H H 1 9.145 0.002 A 4 GLY HAx H 1 3.587 0.000 A 4 GLY HAy H 1 4.078 0.000 A 4 GLY CA C 13 44.458 0.000 A 5 ASP H H 1 9.039 0.005 A 5 ASP HA H 1 4.610 0.003 A 5 ASP HBx H 1 2.572 0.031 A 5 ASP HBy H 1 2.846 0.028 A 5 ASP CA C 13 52.553 0.000 A 5 ASP N N 15 129.349 0.000 A 6 HYP HA H 1 4.121 0.005 A 6 HYP HBx H 1 2.023 0.006 A 6 HYP HBy H 1 2.134 0.009 A 6 HYP HD3 H 1 3.740 0.010 A 6 HYP HG2 H 1 4.742 0.001 A 6 HYP CA C 13 62.581 0.000 A 6 HYP CB C 13 38.696 0.033 A 6 HYP CD C 13 57.716 0.037 A 7 GLY H H 1 9.434 0.004 A 7 GLY HAx H 1 3.593 0.005 A 7 GLY HAy H 1 4.527 0.000 A 7 GLY CA C 13 44.332 0.018 A 7 GLY N N 15 114.740 0.000 A 8 ALA H H 1 8.295 0.004 A 8 ALA HA H 1 4.375 0.000 A 8 ALA HB% H 1 1.486 0.006 A 8 ALA CA C 13 51.761 0.000 A 8 ALA CB C 13 19.499 0.000 A 8 ALA N N 15 123.822 0.000 A 9 THR H H 1 8.464 0.001 A 9 THR HA H 1 4.686 0.000 A 9 THR HB H 1 4.025 0.002 A 9 THR HG2% H 1 1.310 0.006 A 9 THR CA C 13 63.003 0.000 A 9 THR CB C 13 69.033 0.000 A 9 THR N N 15 126.097 0.000 A 10 CYS H H 1 8.246 0.005 A 10 CYS HA H 1 4.812 0.016 A 10 CYS HBx H 1 3.134 0.009 A 10 CYS HBy H 1 3.255 0.002 A 10 CYS CA C 13 54.034 0.000 A 10 CYS CB C 13 46.146 0.003 A 10 CYS N N 15 121.365 0.000 A 11 GLY H H 1 8.378 0.003 A 11 GLY HAx H 1 3.715 0.008 A 11 GLY HAy H 1 4.219 0.012 A 11 GLY CA C 13 44.275 0.014 A 11 GLY N N 15 108.432 0.000 A 12 LYS H H 1 8.163 0.003 A 12 LYS HA H 1 4.198 0.004 A 12 LYS HBy H 1 1.806 0.000 A 12 LYS HBx H 1 1.745 0.001 A 12 LYS HD3 H 1 1.664 0.001 A 12 LYS HE3 H 1 2.962 0.001 A 12 LYS HG3 H 1 1.399 0.001 A 12 LYS HZ1 H 1 7.540 0.008 A 12 LYS HZ2 H 1 7.540 0.008 A 12 LYS HZ3 H 1 7.540 0.008 A 12 LYS CA C 13 57.287 0.000 A 12 LYS CB C 13 32.917 0.000 A 12 LYS N N 15 120.672 0.000 A 13 LEU H H 1 8.507 0.002 A 13 LEU HA H 1 4.194 0.007 A 13 LEU HBx H 1 1.631 0.006 A 13 LEU HBy H 1 1.768 0.017 A 13 LEU HD2% H 1 0.888 0.013 A 13 LEU HG H 1 1.534 0.000 A 13 LEU CA C 13 55.706 0.000 A 13 LEU CB C 13 40.782 0.009 A 13 LEU N N 15 118.533 0.000 A 14 ARG H H 1 7.918 0.004 A 14 ARG HA H 1 4.332 0.002 A 14 ARG HBy H 1 1.899 0.002 A 14 ARG HBx H 1 1.747 0.003 A 14 ARG HD2 H 1 3.048 0.001 A 14 ARG HE H 1 7.105 0.000 A 14 ARG HGx H 1 1.371 0.000 A 14 ARG HGy H 1 1.493 0.002 A 14 ARG CA C 13 54.439 0.000 A 14 ARG CB C 13 30.635 0.000 A 14 ARG N N 15 118.619 0.000 A 15 LEU H H 1 8.072 0.004 A 15 LEU HA H 1 4.281 0.004 A 15 LEU HBx H 1 1.559 0.012 A 15 LEU HBy H 1 1.590 0.000 A 15 LEU HD1% H 1 0.760 0.005 A 15 LEU HG H 1 1.481 0.001 A 15 LEU CA C 13 54.698 0.000 A 15 LEU CB C 13 41.642 0.000 A 15 LEU N N 15 120.967 0.000 A 16 TYR H H 1 8.265 0.004 A 16 TYR HA H 1 4.619 0.011 A 16 TYR HBy H 1 3.050 0.008 A 16 TYR HBx H 1 3.047 0.001 A 16 TYR HDx H 1 7.169 0.006 A 16 TYR HDy H 1 7.169 0.006 A 16 TYR HEx H 1 6.861 0.005 A 16 TYR HEy H 1 6.861 0.005 A 16 TYR CA C 13 56.984 0.000 A 16 TYR CB C 13 39.033 0.000 A 16 TYR N N 15 123.142 0.000 A 17 CYS H H 1 9.056 0.002 A 17 CYS HA H 1 4.657 0.015 A 17 CYS HBx H 1 2.351 0.010 A 17 CYS HBy H 1 3.296 0.008 A 17 CYS CA C 13 54.470 0.000 A 17 CYS CB C 13 36.672 0.008 A 17 CYS N N 15 122.333 0.000 A 18 CYS H H 1 10.117 0.001 A 18 CYS HA H 1 4.320 0.009 A 18 CYS HBx H 1 2.719 0.007 A 18 CYS HBy H 1 3.162 0.015 A 18 CYS CA C 13 56.187 0.000 A 18 CYS CB C 13 38.387 0.000 A 18 CYS N N 15 127.803 0.000 A 19 SER H H 1 9.244 0.002 A 19 SER HA H 1 4.272 0.014 A 19 SER HBx H 1 3.732 0.007 A 19 SER HBy H 1 4.256 0.000 A 19 SER CA C 13 57.842 0.000 A 19 SER CB C 13 64.654 0.005 A 19 SER N N 15 113.457 0.000 A 20 GLY H H 1 7.720 0.002 A 20 GLY HAx H 1 3.794 0.008 A 20 GLY HAy H 1 4.264 0.006 A 20 GLY CA C 13 45.048 0.000 A 20 GLY N N 15 108.007 0.000 A 21 PHE H H 1 8.622 0.002 A 21 PHE HA H 1 4.966 0.019 A 21 PHE HBx H 1 2.794 0.007 A 21 PHE HBy H 1 3.182 0.001 A 21 PHE HDx H 1 7.143 0.003 A 21 PHE HDy H 1 7.143 0.003 A 21 PHE HEx H 1 7.358 0.003 A 21 PHE HEy H 1 7.358 0.003 A 21 PHE HZ H 1 7.409 0.002 A 21 PHE CA C 13 56.167 0.000 A 21 PHE CB C 13 40.016 0.025 A 21 PHE N N 15 122.142 0.000 A 22 CYS H H 1 8.447 0.003 A 22 CYS HA H 1 4.733 0.005 A 22 CYS HBx H 1 2.672 0.001 A 22 CYS HBy H 1 3.016 0.012 A 22 CYS CA C 13 53.219 0.000 A 22 CYS CB C 13 39.353 0.028 A 22 CYS N N 15 116.713 0.000 A 23 ASP H H 1 8.290 0.002 A 23 ASP HA H 1 4.313 0.001 A 23 ASP HBx H 1 2.369 0.003 A 23 ASP HBy H 1 3.280 0.004 A 23 ASP CA C 13 53.094 0.000 A 23 ASP CB C 13 38.963 0.000 A 23 ASP N N 15 129.376 0.000 A 24 SER H H 1 8.762 0.003 A 24 SER HA H 1 4.043 0.005 A 24 SER HB3 H 1 3.849 0.003 A 24 SER CA C 13 60.577 0.000 A 24 SER CB C 13 62.597 0.000 A 24 SER N N 15 121.077 0.000 A 25 TYR H H 1 8.263 0.008 A 25 TYR HA H 1 4.449 0.003 A 25 TYR HBy H 1 3.265 0.004 A 25 TYR HBx H 1 3.224 0.005 A 25 TYR HDx H 1 7.277 0.004 A 25 TYR HDy H 1 7.277 0.004 A 25 TYR HEx H 1 6.886 0.004 A 25 TYR HEy H 1 6.886 0.004 A 25 TYR CA C 13 60.270 0.000 A 25 TYR CB C 13 37.771 0.000 A 25 TYR N N 15 120.608 0.000 A 26 THR H H 1 7.680 0.002 A 26 THR HA H 1 4.205 0.011 A 26 THR HB H 1 4.345 0.008 A 26 THR HG2% H 1 1.246 0.006 A 26 THR CA C 13 61.597 0.000 A 26 THR CB C 13 69.313 0.000 A 26 THR N N 15 106.849 0.000 A 27 LYS H H 1 8.387 0.004 A 27 LYS HA H 1 3.764 0.009 A 27 LYS HBx H 1 2.111 0.003 A 27 LYS HBy H 1 2.171 0.003 A 27 LYS HDx H 1 1.610 0.003 A 27 LYS HDy H 1 1.687 0.021 A 27 LYS HEx H 1 3.029 0.003 A 27 LYS HEy H 1 3.032 0.005 A 27 LYS HGy H 1 1.337 0.001 A 27 LYS HGx H 1 1.335 0.001 A 27 LYS HZ1 H 1 7.477 0.014 A 27 LYS HZ2 H 1 7.477 0.014 A 27 LYS HZ3 H 1 7.477 0.014 A 27 LYS CA C 13 57.221 0.000 A 27 LYS N N 15 119.520 0.000 A 28 THR H H 1 7.172 0.003 A 28 THR HA H 1 5.291 0.007 A 28 THR HB H 1 3.738 0.018 A 28 THR HG2% H 1 1.038 0.011 A 28 THR CA C 13 58.884 0.000 A 28 THR CB C 13 73.381 0.000 A 28 THR CG2 C 13 22.134 0.000 A 28 THR N N 15 106.931 0.000 A 29 CYS H H 1 8.984 0.008 A 29 CYS HA H 1 5.064 0.002 A 29 CYS HBx H 1 2.894 0.012 A 29 CYS HBy H 1 3.324 0.009 A 29 CYS CA C 13 53.937 0.000 A 29 CYS CB C 13 37.465 0.000 A 29 CYS N N 15 121.489 0.000 A 30 LYS H H 1 8.673 0.002 A 30 LYS HA H 1 4.803 0.007 A 30 LYS HBx H 1 1.634 0.005 A 30 LYS HBy H 1 1.937 0.004 A 30 LYS HDx H 1 1.746 0.001 A 30 LYS HDy H 1 1.747 0.002 A 30 LYS HEx H 1 2.984 0.000 A 30 LYS HEy H 1 2.990 0.003 A 30 LYS HGx H 1 1.487 0.002 A 30 LYS HGy H 1 1.490 0.004 A 30 LYS HZ1 H 1 7.597 0.004 A 30 LYS HZ2 H 1 7.597 0.004 A 30 LYS HZ3 H 1 7.597 0.004 A 30 LYS CB C 13 37.045 0.041 A 30 LYS N N 15 124.282 0.000 A 31 ASP H H 1 8.767 0.002 A 31 ASP HA H 1 4.796 0.000 A 31 ASP HBx H 1 2.730 0.057 A 31 ASP HBy H 1 2.816 0.062 A 31 ASP N N 15 123.790 0.000 A 32 LYS H H 1 8.533 0.001 A 32 LYS HA H 1 4.064 0.007 A 32 LYS HBy H 1 1.757 0.002 A 32 LYS HBx H 1 1.624 0.001 A 32 LYS HD3 H 1 1.519 0.002 A 32 LYS HE3 H 1 2.854 0.001 A 32 LYS HG3 H 1 1.277 0.001 A 32 LYS HZ1 H 1 7.464 0.003 A 32 LYS HZ2 H 1 7.464 0.003 A 32 LYS HZ3 H 1 7.464 0.003 A 32 LYS CA C 13 56.639 0.000 A 32 LYS N N 15 122.102 0.000 A 33 SER H H 1 8.274 0.002 A 33 SER HA H 1 4.344 0.006 A 33 SER HBx H 1 3.789 0.003 A 33 SER HBy H 1 3.847 0.001 A 33 SER CA C 13 58.107 0.000 A 33 SER CB C 13 63.155 0.009 A 33 SER N N 15 116.913 0.000 A 34 SER H H 1 8.216 0.001 A 34 SER HA H 1 4.473 0.008 A 34 SER HB3 H 1 3.899 0.009 A 34 SER CA C 13 57.883 0.000 A 34 SER CB C 13 63.628 0.000 A 34 SER N N 15 117.921 0.000 A 35 ALA H H 1 8.091 0.002 A 35 ALA HA H 1 4.242 0.000 A 35 ALA HB% H 1 1.361 0.010 A 35 ALA CA C 13 51.727 0.000 A 35 ALA CB C 13 18.815 0.000 A 35 ALA N N 15 128.348 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 14 ARG HA A 14 ARG HE 1.0 1.8 4.93 2 2 A 14 ARG HE A 14 ARG HBx 1.0 1.8 4.81 3 3 A 14 ARG HE A 14 ARG HBy 1.0 1.8 4.81 4 4 A 16 TYR HA A 16 TYR HBy 1.0 1.8 2.91 5 4 A 16 TYR HBx A 16 TYR HA 1.0 1.8 2.91 6 5 A 16 TYR HD% A 16 TYR HA 1.0 1.8 3.44 7 6 A 21 PHE HD% A 30 LYS HBy 1.0 1.8 3.97 8 7 A 21 PHE HD% A 21 PHE HA 1.0 1.8 3.29 9 8 A 30 LYS HBy A 21 PHE HE% 1.0 1.8 4.41 10 9 A 27 LYS HA A 27 LYS HEx 1.0 1.8 5.50 11 10 A 27 LYS HA A 27 LYS HEy 1.0 1.8 5.50 12 11 A 6 HYP HA A 29 CYS HBx 1.0 1.8 4.16 13 12 A 21 PHE HE% A 23 ASP HBx 1.0 1.8 3.96 14 13 A 26 THR HG2% A 25 TYR HE% 1.0 1.8 4.74 15 14 A 26 THR HG2% A 25 TYR HD% 1.0 1.8 3.59 16 15 A 21 PHE HE% A 30 LYS HGx 1.0 1.8 5.21 17 16 A 21 PHE HE% A 30 LYS HGy 1.0 1.8 5.50 18 17 A 21 PHE HE% A 30 LYS HBx 1.0 1.8 4.00 19 18 A 21 PHE HD% A 30 LYS HBx 1.0 1.8 4.36 20 19 A 8 ALA HB% A 4 GLY HAy 1.0 1.8 4.01 21 20 A 26 THR HG2% A 26 THR HA 1.0 1.8 3.06 22 21 A 9 THR HG2% A 9 THR HA 1.0 1.8 3.37 23 22 A 13 LEU HG A 13 LEU HA 1.0 1.8 3.94 24 23 A 16 TYR HA A 16 TYR HE% 1.0 1.8 4.99 25 24 A 21 PHE HA A 21 PHE HE% 1.0 1.8 4.96 26 25 A 23 ASP HBx A 21 PHE HZ 1.0 1.8 4.37 27 26 A 30 LYS HA A 30 LYS HDx 1.0 1.8 5.29 28 27 A 30 LYS HA A 30 LYS HDy 1.0 1.8 5.29 29 28 A 30 LYS HGx A 30 LYS HA 1.0 1.8 3.49 30 29 A 28 THR HA A 28 THR HG2% 1.0 1.8 3.19 31 30 A 27 LYS HA A 27 LYS HDy 1.0 1.8 5.10 32 31 A 27 LYS HA A 27 LYS HDx 1.0 1.8 5.10 33 32 A 25 TYR HD% A 25 TYR HA 1.0 1.8 3.52 34 33 A 15 LEU HA A 15 LEU HG 1.0 1.8 3.81 35 34 A 18 CYS HA A 3 CYS HBy 1.0 1.8 4.88 36 35 A 6 HYP HA A 29 CYS HBy 1.0 1.8 4.16 37 36 A 18 CYS HA A 3 CYS HBx 1.0 1.8 4.88 38 37 A 8 ALA HB% A 4 GLY HAx 1.0 1.8 4.01 39 38 A 26 THR HB A 28 THR HG2% 1.0 1.8 4.14 40 39 A 28 THR HG2% A 9 THR HA 1.0 1.8 3.47 41 40 A 23 ASP HBy A 30 LYS HGy 1.0 1.8 4.02 42 41 A 26 THR HG2% A 25 TYR HBx 1.0 1.8 4.37 43 42 A 26 THR HG2% A 25 TYR HBy 1.0 1.8 4.37 44 43 A 15 LEU HD1% A 2 TRP HBy 1.0 1.8 3.52 45 44 A 23 ASP HBx A 30 LYS HGy 1.0 1.8 4.00 46 45 A 23 ASP HBx A 30 LYS HBx 1.0 1.8 4.52 47 46 A 9 THR HG2% A 28 THR HA 1.0 1.8 4.77 48 47 A 4 GLY HAx A 15 LEU HD1% 1.0 1.8 3.51 49 48 A 23 ASP HBx A 30 LYS HEx 1.0 1.8 5.50 50 49 A 23 ASP HBx A 30 LYS HEy 1.0 1.8 5.50 51 50 A 8 ALA HB% A 28 THR HB 1.0 1.8 5.42 52 51 A 28 THR HA A 29 CYS HBx 1.0 1.8 5.50 53 52 A 28 THR HA A 10 CYS HBx 1.0 1.8 5.50 54 53 A 28 THR HA A 10 CYS HBy 1.0 1.8 5.50 55 54 A 23 ASP HBx A 29 CYS HA 1.0 1.8 5.39 56 55 A 28 THR HA A 29 CYS HBy 1.0 1.8 5.50 57 56 A 8 ALA HB% A 28 THR HA 1.0 1.8 5.21 58 57 A 27 LYS HA A 28 THR HA 1.0 1.8 4.61 59 58 A 21 PHE HD% A 32 LYS HA 1.0 1.8 4.17 60 59 A 23 ASP HA A 21 PHE HZ 1.0 1.8 3.84 61 60 A 21 PHE HE% A 23 ASP HA 1.0 1.8 3.70 62 61 A 21 PHE HE% A 32 LYS HA 1.0 1.8 4.51 63 62 A 25 TYR HE% A 25 TYR HA 1.0 1.8 4.98 64 63 A 30 LYS HBx A 21 PHE HZ 1.0 1.8 4.70 65 64 A 30 LYS HBy A 21 PHE HZ 1.0 1.8 5.14 66 65 A 30 LYS HGy A 21 PHE HZ 1.0 1.8 5.50 67 66 A 2 TRP HD1 A 2 TRP HA 1.0 1.8 5.01 68 67 A 8 ALA HB% A 29 CYS HA 1.0 1.8 5.50 69 68 A 29 CYS HA A 30 LYS HGy 1.0 1.8 5.50 70 69 A 26 THR HG2% A 25 TYR HA 1.0 1.8 4.98 71 70 A 9 THR HG2% A 10 CYS HA 1.0 1.8 4.51 72 71 A 21 PHE HE% A 23 ASP HBy 1.0 1.8 5.24 73 72 A 30 LYS HBy A 23 ASP HBx 1.0 1.8 5.39 74 73 A 21 PHE HZ A 32 LYS HA 1.0 1.8 5.50 75 74 A 23 ASP HBy A 21 PHE HZ 1.0 1.8 5.34 76 75 A 21 PHE HE% A 21 PHE HZ 1.0 1.8 2.40 77 76 A 21 PHE HD% A 21 PHE HZ 1.0 1.8 3.91 78 77 A 28 THR HA A 9 THR HA 1.0 1.8 3.24 79 78 A 29 CYS HA A 22 CYS HA 1.0 1.8 4.34 80 79 A 30 LYS HA A 30 LYS HEx 1.0 1.8 5.50 81 80 A 30 LYS HA A 30 LYS HEy 1.0 1.8 5.50 82 81 A 30 LYS HBx A 30 LYS HGy 1.0 1.8 2.46 83 82 A 2 TRP HE3 A 2 TRP HBy 1.0 1.8 3.41 84 82 A 2 TRP HBx A 2 TRP HE3 1.0 1.8 3.41 85 83 A 2 TRP HZ3 A 2 TRP HBy 1.0 1.8 4.99 86 83 A 2 TRP HBx A 2 TRP HZ3 1.0 1.8 4.99 87 84 A 15 LEU HD1% A 2 TRP HBx 1.0 1.8 3.52 88 85 A 2 TRP HBx A 15 LEU HD21 1.0 1.8 3.52 89 86 A 15 LEU HD21 A 2 TRP HBy 1.0 1.8 3.52 90 87 A 18 CYS HA A 3 CYS HBy 1.0 1.8 4.05 91 87 A 18 CYS HA A 3 CYS HBx 1.0 1.8 4.05 92 88 A 4 GLY HAx A 15 LEU HD21 1.0 1.8 3.51 93 89 A 4 GLY HAy A 15 LEU HD1% 1.0 1.8 3.51 94 90 A 4 GLY HAy A 15 LEU HD21 1.0 1.8 3.51 95 91 A 8 ALA HB% A 5 ASP HBy 1.0 1.8 4.21 96 91 A 8 ALA HB% A 5 ASP HBx 1.0 1.8 4.21 97 92 A 28 THR HA A 10 CYS HBy 1.0 1.8 4.67 98 92 A 28 THR HA A 10 CYS HBx 1.0 1.8 4.67 99 93 A 12 LYS HA A 12 LYS HGx 1.0 1.8 3.72 100 93 A 12 LYS HA A 12 LYS HG3 1.0 1.8 3.72 101 94 A 12 LYS HA A 12 LYS HDx 1.0 1.8 4.55 102 94 A 12 LYS HA A 12 LYS HD3 1.0 1.8 4.55 103 95 A 12 LYS HA A 12 LYS HEx 1.0 1.8 4.66 104 95 A 12 LYS HA A 12 LYS HE3 1.0 1.8 4.66 105 96 A 14 ARG HA A 14 ARG HGx 1.0 1.8 3.45 106 96 A 14 ARG HA A 14 ARG HGy 1.0 1.8 3.45 107 97 A 14 ARG HA A 14 ARG HD2 1.0 1.8 4.52 108 97 A 14 ARG HA A 14 ARG HDy 1.0 1.8 4.52 109 98 A 14 ARG HE A 14 ARG HBx 1.0 1.8 4.17 110 98 A 14 ARG HE A 14 ARG HBy 1.0 1.8 4.17 111 99 A 16 TYR HA A 15 LEU HBy 1.0 1.8 4.88 112 99 A 16 TYR HA A 15 LEU HBx 1.0 1.8 4.88 113 100 A 19 SER HA A 19 SER HBx 1.0 1.8 2.59 114 100 A 19 SER HBy A 19 SER HA 1.0 1.8 2.59 115 101 A 21 PHE HD% A 30 LYS HDx 1.0 1.8 5.34 116 101 A 21 PHE HD% A 30 LYS HDy 1.0 1.8 5.34 117 102 A 21 PHE HD% A 32 LYS HBx 1.0 1.8 4.53 118 102 A 21 PHE HD% A 32 LYS HBy 1.0 1.8 4.53 119 103 A 21 PHE HD% A 32 LYS HGx 1.0 1.8 4.51 120 103 A 21 PHE HD% A 32 LYS HG3 1.0 1.8 4.51 121 104 A 21 PHE HE% A 30 LYS HDx 1.0 1.8 4.05 122 104 A 21 PHE HE% A 30 LYS HDy 1.0 1.8 4.05 123 105 A 21 PHE HE% A 32 LYS HGx 1.0 1.8 5.20 124 105 A 21 PHE HE% A 32 LYS HG3 1.0 1.8 5.20 125 106 A 21 PHE HZ A 30 LYS HDx 1.0 1.8 4.51 126 106 A 21 PHE HZ A 30 LYS HDy 1.0 1.8 4.51 127 107 A 23 ASP HBx A 30 LYS HDx 1.0 1.8 3.87 128 107 A 23 ASP HBx A 30 LYS HDy 1.0 1.8 3.87 129 108 A 23 ASP HBy A 30 LYS HDx 1.0 1.8 4.63 130 108 A 23 ASP HBy A 30 LYS HDy 1.0 1.8 4.63 131 109 A 24 SER HA A 24 SER HBx 1.0 1.8 2.37 132 109 A 24 SER HA A 24 SER HB3 1.0 1.8 2.37 133 110 A 26 THR HG2% A 25 TYR HBx 1.0 1.8 3.63 134 110 A 26 THR HG2% A 25 TYR HBy 1.0 1.8 3.63 135 111 A 27 LYS HA A 27 LYS HGy 1.0 1.8 3.51 136 111 A 27 LYS HA A 27 LYS HGx 1.0 1.8 3.51 137 112 A 28 THR HA A 29 CYS HBy 1.0 1.8 4.76 138 112 A 28 THR HA A 29 CYS HBx 1.0 1.8 4.76 139 113 A 30 LYS HA A 30 LYS HDx 1.0 1.8 4.54 140 113 A 30 LYS HA A 30 LYS HDy 1.0 1.8 4.54 141 114 A 30 LYS HA A 30 LYS HEx 1.0 1.8 4.75 142 114 A 30 LYS HA A 30 LYS HEy 1.0 1.8 4.75 143 115 A 30 LYS HBy A 30 LYS HDx 1.0 1.8 2.73 144 115 A 30 LYS HBy A 30 LYS HDy 1.0 1.8 2.73 145 116 A 30 LYS HBy A 30 LYS HEx 1.0 1.8 4.23 146 116 A 30 LYS HBy A 30 LYS HEy 1.0 1.8 4.23 147 117 A 30 LYS HGx A 30 LYS HEx 1.0 1.8 3.71 148 117 A 30 LYS HGx A 30 LYS HEy 1.0 1.8 3.71 149 118 A 32 LYS HA A 31 ASP HBy 1.0 1.8 5.34 150 118 A 32 LYS HA A 31 ASP HBx 1.0 1.8 5.34 151 119 A 32 LYS HA A 32 LYS HDx 1.0 1.8 4.64 152 119 A 32 LYS HA A 32 LYS HD3 1.0 1.8 4.64 153 120 A 32 LYS HA A 32 LYS HEx 1.0 1.8 5.34 154 120 A 32 LYS HA A 32 LYS HE3 1.0 1.8 5.34 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 23 ASP H A 28 THR O 1.0 1.6 2.0 2 2 A 28 THR O A 23 ASP N 1.0 2.4 3.0 3 3 A 28 THR H A 23 ASP O 1.0 1.6 2.0 4 4 A 23 ASP O A 28 THR N 1.0 2.4 3.0 5 5 A 29 CYS H A 8 ALA O 1.0 1.6 2.0 6 6 A 8 ALA O A 29 CYS N 1.0 2.4 3.0 7 7 A 10 CYS H A 27 LYS O 1.0 1.6 2.0 8 8 A 27 LYS O A 10 CYS N 1.0 2.4 3.0 9 9 A 30 LYS H A 21 PHE O 1.0 1.6 2.0 10 10 A 21 PHE O A 30 LYS N 1.0 2.4 3.0 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 4 GLY C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 -94.7 -50.9 PHI 2 2 A 6 HYP C A 7 GLY N A 7 GLY CA A 7 GLY C 1.0 72.7 112.7 PHI 3 3 A 7 GLY N A 7 GLY CA A 7 GLY C A 8 ALA N 1.0 -27.7 12.3 PSI 4 4 A 7 GLY C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -99.9 -50.1 PHI 5 5 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 THR N 1.0 112.7 152.7 PSI 6 6 A 8 ALA C A 9 THR N A 9 THR CA A 9 THR C 1.0 -112.4 -63.0 PHI 7 7 A 9 THR N A 9 THR CA A 9 THR C A 10 CYS N 1.0 109.5 149.5 PSI 8 8 A 15 LEU C A 16 TYR N A 16 TYR CA A 16 TYR C 1.0 -132.2 -44.4 PHI 9 9 A 16 TYR N A 16 TYR CA A 16 TYR C A 17 CYS N 1.0 92.9 170.9 PSI 10 10 A 16 TYR C A 17 CYS N A 17 CYS CA A 17 CYS C 1.0 -109.7 -62.1 PHI 11 11 A 17 CYS N A 17 CYS CA A 17 CYS C A 18 CYS N 1.0 85.0 137.2 PSI 12 12 A 18 CYS N A 18 CYS CA A 18 CYS C A 19 SER N 1.0 -40.7 -0.7 PSI 13 13 A 18 CYS C A 19 SER N A 19 SER CA A 19 SER C 1.0 -109.2 -69.2 PHI 14 14 A 19 SER N A 19 SER CA A 19 SER C A 20 GLY N 1.0 -27.6 12.4 PSI 15 15 A 21 PHE N A 21 PHE CA A 21 PHE C A 22 CYS N 1.0 114.2 165.8 PSI 16 16 A 21 PHE C A 22 CYS N A 22 CYS CA A 22 CYS C 1.0 -114.0 -49.6 PHI 17 17 A 22 CYS N A 22 CYS CA A 22 CYS C A 23 ASP N 1.0 101.4 157.4 PSI 18 18 A 22 CYS C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -101.9 -58.9 PHI 19 19 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 SER N 1.0 92.1 136.9 PSI 20 20 A 23 ASP C A 24 SER N A 24 SER CA A 24 SER C 1.0 -89.3 -49.3 PHI 21 21 A 24 SER N A 24 SER CA A 24 SER C A 25 TYR N 1.0 -47.4 -7.4 PSI 22 22 A 24 SER C A 25 TYR N A 25 TYR CA A 25 TYR C 1.0 -94.0 -53.2 PHI 23 23 A 25 TYR N A 25 TYR CA A 25 TYR C A 26 THR N 1.0 -60.0 -20.0 PSI 24 24 A 26 THR N A 26 THR CA A 26 THR C A 27 LYS N 1.0 -28.1 11.9 PSI 25 25 A 28 THR N A 28 THR CA A 28 THR C A 29 CYS N 1.0 134.4 174.4 PSI 26 26 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 ASP N 1.0 122.7 179.5 PSI 27 27 A 30 LYS C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -88.2 -47.6 PHI 28 28 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 LYS N 1.0 110.3 159.3 PSI 29 29 A 1 GLY C A 2 TRP N A 2 TRP CA A 2 TRP C 1.0 -96.1 -36.1 PHI 30 30 A 2 TRP N A 2 TRP CA A 2 TRP C A 3 CYS N 1.0 106.9 168.7 PSI 31 31 A 2 TRP C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -171.3 -61.3 PHI 32 32 A 2 TRP C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -160.0 -80.0 PHI 33 33 A 3 CYS N A 3 CYS CA A 3 CYS C A 4 GLY N 1.0 93.3 187.7 PSI 34 34 A 28 THR C A 29 CYS N A 29 CYS CA A 29 CYS C 1.0 -113.4 -46.4 PHI 35 35 A 29 CYS N A 29 CYS CA A 29 CYS C A 30 LYS N 1.0 53.2 186.2 PSI 36 36 A 20 GLY C A 21 PHE N A 21 PHE CA A 21 PHE C 1.0 -160.0 -80.0 PHI 37 37 A 25 TYR C A 26 THR N A 26 THR CA A 26 THR C 1.0 -160.0 -80.0 PHI 38 38 A 27 LYS C A 28 THR N A 28 THR CA A 28 THR C 1.0 -160.0 -80.0 PHI 39 39 A 29 CYS C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -160.0 -80.0 PHI 40 40 A 5 ASP N A 5 ASP CA A 5 ASP CB A 5 ASP CG 1.0 -120.0 0.0 CHI1 41 41 A 14 ARG N A 14 ARG CA A 14 ARG CB A 14 ARG CG 1.0 -120.0 0.0 CHI1 42 42 A 17 CYS N A 17 CYS CA A 17 CYS CB A 17 CYS SG 1.0 -120.0 0.0 CHI1 43 43 A 18 CYS N A 18 CYS CA A 18 CYS CB A 18 CYS SG 1.0 -120.0 0.0 CHI1 44 44 A 22 CYS N A 22 CYS CA A 22 CYS CB A 22 CYS SG 1.0 -120.0 0.0 CHI1 45 45 A 23 ASP N A 23 ASP CA A 23 ASP CB A 23 ASP CG 1.0 -120.0 0.0 CHI1 46 46 A 29 CYS N A 29 CYS CA A 29 CYS CB A 29 CYS SG 1.0 -120.0 0.0 CHI1 47 47 A 30 LYS N A 30 LYS CA A 30 LYS CB A 30 LYS CG 1.0 -120.0 0.0 CHI1 48 48 A 31 ASP N A 31 ASP CA A 31 ASP CB A 31 ASP CG 1.0 -120.0 0.0 CHI1 stop_ save_