data_nef_c30644_6pv3 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6PV3 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 2 PHE C 1 3 9KK N 1 3 9KK C 1 4 CYS N 1 4 CYS SG 2 1 ZN ZN 1 6 TRP C 1 7 AIB N 1 7 AIB C 1 8 GLY N 1 9 CYS SG 2 1 ZN ZN 1 11 LYS C 1 12 MMO N 1 12 MMO C 1 13 PHE N 1 16 SER C 1 17 B3D N 1 17 B3D C 1 18 GLU N 1 20 GLN C 1 21 HMR N 1 21 HMR C 1 22 HIS N 1 22 HIS NE2 2 1 ZN ZN 1 23 LYS C 1 24 HMR N 1 24 HMR C 1 25 THR N 1 26 HIS C 1 27 B3T N 1 26 HIS NE2 2 1 ZN ZN 1 27 B3T C 1 28 GLY N 1 30 LYS C 1 31 NH2 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 start . false 2 A 2 PHE middle -OXT . 3 A 3 9KK middle -OXT . 4 A 4 CYS middle -H2,-HG . 5 A 5 THR middle . . 6 A 6 TRP middle -OXT . 7 A 7 AIB middle -H2,-OXT . 8 A 8 GLY middle -H2 false 9 A 9 CYS middle -HG . 10 A 10 GLY middle . false 11 A 11 LYS middle -OXT . 12 A 12 MMO middle -H2,-OXT . 13 A 13 PHE middle -H2 . 14 A 14 THR middle . . 15 A 15 ARG middle . . 16 A 16 SER middle -OXT . 17 A 17 B3D middle -H2,-OXT . 18 A 18 GLU middle -H2 . 19 A 19 LEU middle . . 20 A 20 GLN middle -OXT . 21 A 21 HMR middle -H2,-OXT . 22 A 22 HIS middle -H2,-HE2 . 23 A 23 LYS middle -OXT . 24 A 24 HMR middle -H2,-OXT . 25 A 25 THR middle -H2 . 26 A 26 HIS middle -OXT,-HE2 . 27 A 27 B3T middle -OXT . 28 A 28 GLY middle -H2 false 29 A 29 GLU middle . . 30 A 30 LYS middle -OXT . 31 A 31 NH2 end . . 32 B 1 ZN . . . 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 4.377 0.000 A 1 PRO HBy H 1 2.327 0.000 A 1 PRO HBx H 1 1.758 0.002 A 1 PRO HD2 H 1 3.322 0.001 A 1 PRO HD3 H 1 3.322 0.001 A 1 PRO HGy H 1 1.986 0.004 A 1 PRO HGx H 1 1.904 0.000 A 2 PHE H H 1 9.405 0.003 A 2 PHE HA H 1 5.055 0.001 A 2 PHE HBy H 1 3.147 0.002 A 2 PHE HBx H 1 2.617 0.002 A 2 PHE HD1 H 1 7.186 0.002 A 2 PHE HD2 H 1 7.186 0.002 A 2 PHE HE1 H 1 7.489 0.001 A 2 PHE HE2 H 1 7.489 0.001 A 2 PHE HZ H 1 7.434 0.001 A 3 9KK HA H 1 5.434 0.002 A 3 9KK HBx H 1 1.522 0.004 A 3 9KK HBy H 1 1.926 0.002 A 3 9KK HDx H 1 1.242 0.004 A 3 9KK HDy H 1 1.242 0.004 A 3 9KK HE% H 1 0.820 0.001 A 3 9KK HGx H 1 1.074 0.006 A 3 9KK HGy H 1 1.074 0.006 A 3 9KK HM% H 1 3.481 0.002 A 4 CYS H H 1 9.091 0.002 A 4 CYS HA H 1 4.557 0.001 A 4 CYS HBy H 1 3.445 0.001 A 4 CYS HBx H 1 2.917 0.000 A 5 THR HA H 1 4.516 0.002 A 5 THR HB H 1 4.685 0.000 A 5 THR HG2% H 1 1.300 0.001 A 6 TRP H H 1 8.707 0.000 A 6 TRP HA H 1 3.992 0.001 A 6 TRP HBy H 1 2.728 0.002 A 6 TRP HBx H 1 2.535 0.001 A 6 TRP HD1 H 1 6.864 0.000 A 6 TRP HE1 H 1 10.113 0.000 A 6 TRP HE3 H 1 7.395 0.000 A 6 TRP HH2 H 1 7.162 0.001 A 6 TRP HZ2 H 1 7.484 0.000 A 6 TRP HZ3 H 1 7.069 0.000 A 7 AIB H H 1 8.323 0.001 A 7 AIB HBx% H 1 1.201 0.000 A 7 AIB HBy% H 1 1.376 0.000 A 8 GLY H H 1 8.085 0.002 A 8 GLY HAy H 1 4.014 0.004 A 8 GLY HAx H 1 3.748 0.000 A 9 CYS H H 1 8.096 0.000 A 9 CYS HA H 1 4.417 0.001 A 9 CYS HBy H 1 3.306 0.001 A 9 CYS HBx H 1 3.197 0.002 A 10 GLY H H 1 8.214 0.001 A 10 GLY HAy H 1 4.028 0.001 A 10 GLY HAx H 1 3.859 0.001 A 11 LYS H H 1 7.983 0.000 A 11 LYS HA H 1 4.440 0.002 A 11 LYS HB2 H 1 1.473 0.000 A 11 LYS HB3 H 1 1.473 0.000 A 11 LYS HD2 H 1 1.611 0.002 A 11 LYS HD3 H 1 1.611 0.002 A 11 LYS HE2 H 1 3.080 0.001 A 11 LYS HE3 H 1 3.080 0.001 A 11 LYS HG2 H 1 1.736 0.001 A 11 LYS HG3 H 1 1.736 0.001 A 12 MMO HA H 1 5.736 0.001 A 12 MMO HC% H 1 2.933 0.000 A 12 MMO HCBx H 1 1.472 0.006 A 12 MMO HCBy H 1 1.816 0.005 A 12 MMO HCD1 H 1 3.028 0.002 A 12 MMO HCG1 H 1 1.273 0.003 A 13 PHE H H 1 8.834 0.000 A 13 PHE HA H 1 4.798 0.002 A 13 PHE HBy H 1 3.428 0.000 A 13 PHE HBx H 1 2.542 0.003 A 13 PHE HD1 H 1 7.135 0.001 A 13 PHE HD2 H 1 7.135 0.001 A 13 PHE HE1 H 1 6.833 0.000 A 13 PHE HE2 H 1 6.833 0.000 A 13 PHE HZ H 1 6.129 0.000 A 14 THR H H 1 9.255 0.001 A 14 THR HA H 1 4.229 0.001 A 14 THR HB H 1 4.418 0.002 A 14 THR HG2% H 1 1.359 0.000 A 15 ARG H H 1 7.921 0.002 A 15 ARG HA H 1 4.888 0.001 A 15 ARG HBy H 1 2.042 0.001 A 15 ARG HBx H 1 1.935 0.001 A 15 ARG HDy H 1 3.380 0.005 A 15 ARG HDx H 1 3.306 0.007 A 15 ARG HG2 H 1 1.757 0.006 A 15 ARG HG3 H 1 1.757 0.006 A 16 SER H H 1 8.203 0.000 A 16 SER HA H 1 3.512 0.000 A 16 SER HBy H 1 3.189 0.001 A 16 SER HBx H 1 2.821 0.001 A 17 B3D H H 1 8.144 0.001 A 17 B3D HAx H 1 2.295 0.000 A 17 B3D HAy H 1 2.329 0.001 A 17 B3D HB H 1 4.503 0.002 A 17 B3D HGy H 1 2.414 0.001 A 17 B3D HGx H 1 2.359 0.001 A 18 GLU H H 1 7.377 0.001 A 18 GLU HA H 1 3.844 0.002 A 18 GLU HBy H 1 2.317 0.002 A 18 GLU HBx H 1 2.173 0.003 A 18 GLU HGy H 1 2.536 0.003 A 18 GLU HGx H 1 2.455 0.006 A 19 LEU H H 1 7.364 0.002 A 19 LEU HA H 1 3.157 0.002 A 19 LEU HBy H 1 2.266 0.002 A 19 LEU HBx H 1 1.226 0.003 A 19 LEU HDx% H 1 0.947 0.002 A 19 LEU HDy% H 1 0.982 0.001 A 19 LEU HG H 1 1.438 0.000 A 20 GLN H H 1 7.945 0.000 A 20 GLN HA H 1 3.884 0.001 A 20 GLN HBy H 1 2.135 0.003 A 20 GLN HBx H 1 2.081 0.004 A 20 GLN HE2x H 1 6.947 0.000 A 20 GLN HE2y H 1 7.229 0.000 A 20 GLN HG2 H 1 2.499 0.002 A 20 GLN HG3 H 1 2.499 0.002 A 21 HMR H H 1 7.813 0.001 A 21 HMR HA H 1 4.064 0.003 A 21 HMR HB2 H 1 1.498 0.000 A 21 HMR HC1 H 1 2.334 0.000 A 21 HMR HD2 H 1 3.074 0.000 A 21 HMR HG2 H 1 1.549 0.001 A 22 HIS H H 1 8.259 0.000 A 22 HIS HA H 1 4.149 0.001 A 22 HIS HBy H 1 3.216 0.000 A 22 HIS HBx H 1 2.737 0.001 A 22 HIS HD2 H 1 7.036 0.000 A 22 HIS HE1 H 1 7.905 0.000 A 23 LYS H H 1 8.608 0.000 A 23 LYS HA H 1 3.407 0.002 A 23 LYS HB2 H 1 1.921 0.001 A 23 LYS HB3 H 1 1.921 0.001 A 23 LYS HDy H 1 1.847 0.004 A 23 LYS HDx H 1 1.772 0.004 A 23 LYS HE2 H 1 3.168 0.004 A 23 LYS HE3 H 1 3.168 0.004 A 23 LYS HG2 H 1 1.577 0.000 A 23 LYS HG3 H 1 1.577 0.000 A 24 HMR H H 1 6.835 0.001 A 24 HMR HA H 1 4.104 0.003 A 24 HMR HBx H 1 1.572 0.000 A 24 HMR HBy H 1 1.622 0.000 A 24 HMR HCx H 1 2.317 0.003 A 24 HMR HCy H 1 2.433 0.001 A 24 HMR HD2 H 1 3.122 0.000 A 24 HMR HG2 H 1 1.685 0.000 A 25 THR H H 1 7.462 0.000 A 25 THR HA H 1 3.743 0.001 A 25 THR HB H 1 3.550 0.002 A 25 THR HG2% H 1 0.829 0.000 A 26 HIS H H 1 7.156 0.000 A 26 HIS HA H 1 4.266 0.001 A 26 HIS HBy H 1 2.255 0.001 A 26 HIS HBx H 1 1.063 0.001 A 26 HIS HD2 H 1 6.142 0.000 A 26 HIS HE1 H 1 7.980 0.000 A 27 B3T H1D2 H 1 1.022 0.000 A 27 B3T Hx H 1 2.475 0.000 A 27 B3T HAy H 1 2.582 0.002 A 27 B3T HB H 1 4.069 0.001 A 27 B3T HG H 1 3.881 0.002 A 27 B3T HN H 1 7.168 0.000 A 28 GLY H H 1 8.062 0.000 A 28 GLY HAy H 1 3.978 0.002 A 28 GLY HAx H 1 3.739 0.001 A 29 GLU H H 1 8.354 0.000 A 29 GLU HA H 1 4.255 0.001 A 29 GLU HBy H 1 2.075 0.001 A 29 GLU HBx H 1 1.998 0.001 A 29 GLU HGy H 1 2.305 0.000 A 29 GLU HGx H 1 2.258 0.000 A 30 LYS H H 1 8.338 0.000 A 30 LYS HA H 1 4.284 0.001 A 30 LYS HBy H 1 1.882 0.004 A 30 LYS HBx H 1 1.802 0.002 A 30 LYS HDy H 1 1.700 0.001 A 30 LYS HDx H 1 1.499 0.001 A 30 LYS HE2 H 1 3.018 0.001 A 30 LYS HE3 H 1 3.018 0.001 A 30 LYS HG2 H 1 1.446 0.000 A 30 LYS HG3 H 1 1.446 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 PHE HE1 A 2 PHE HD2 1.0 1.415 2.259 2 1 A 2 PHE HE2 A 2 PHE HD2 1.0 1.415 2.259 3 1 A 2 PHE HD1 A 2 PHE HE2 1.0 1.415 2.259 4 1 A 2 PHE HD1 A 2 PHE HE1 1.0 1.415 2.259 5 1 A 6 TRP HH2 A 6 TRP HZ2 1.0 1.415 2.259 6 2 A 8 GLY HAy A 9 CYS H 1.0 1.627 2.921 7 2 A 8 GLY H A 8 GLY HAy 1.0 1.627 2.921 8 3 A 19 LEU HDx% A 23 LYS HE2 1.0 1.692 3.166 9 3 A 2 PHE HBx A 19 LEU HDx% 1.0 1.692 3.166 10 3 A 19 LEU HDx% A 23 LYS HE3 1.0 1.692 3.166 11 3 A 19 LEU HDx% A 19 LEU HA 1.0 1.692 3.166 12 4 A 18 GLU HA A 19 LEU H 1.0 1.704 3.220 13 4 A 18 GLU H A 18 GLU HA 1.0 1.704 3.220 14 5 A 9 CYS H A 8 GLY HAx 1.0 1.719 3.281 15 5 A 8 GLY H A 8 GLY HAx 1.0 1.719 3.281 16 6 A 23 LYS HDy A 23 LYS HB2 1.0 1.724 3.304 17 6 A 23 LYS HDy A 23 LYS HB3 1.0 1.724 3.304 18 6 A 15 ARG HBy A 15 ARG HG2 1.0 1.724 3.304 19 6 A 15 ARG HG3 A 15 ARG HBy 1.0 1.724 3.304 20 7 A 15 ARG HG3 A 16 SER H 1.0 1.741 3.377 21 7 A 15 ARG HG2 A 16 SER H 1.0 1.741 3.377 22 7 A 10 GLY H A 11 LYS HG2 1.0 1.741 3.377 23 7 A 11 LYS HG3 A 10 GLY H 1.0 1.741 3.377 24 8 A 19 LEU H A 13 PHE HBy 1.0 1.753 3.435 25 8 A 18 GLU H A 18 GLU HGx 1.0 1.753 3.435 26 8 A 6 TRP HE3 A 6 TRP HBy 1.0 1.753 3.435 27 9 A 29 GLU HA A 29 GLU HGy 1.0 1.777 3.551 28 9 A 26 HIS HBx A 26 HIS HA 1.0 1.777 3.551 29 10 A 19 LEU H A 18 GLU HBy 1.0 1.784 3.586 30 10 A 18 GLU H A 18 GLU HBy 1.0 1.784 3.586 31 11 A 29 GLU HA A 30 LYS H 1.0 1.789 3.615 32 11 A 29 GLU HA A 29 GLU H 1.0 1.789 3.615 33 12 A 4 CYS HBx A 19 LEU HDy% 1.0 1.792 3.630 34 12 A 19 LEU HDy% A 13 PHE HBx 1.0 1.792 3.630 35 13 A 18 GLU H A 15 ARG HG2 1.0 1.901 4.319 36 13 A 18 GLU H A 15 ARG HG3 1.0 1.901 4.319 37 13 A 23 LYS HDy A 6 TRP HE3 1.0 1.901 4.319 38 14 A 9 CYS HBy A 26 HIS HE1 1.0 1.910 4.392 39 14 A 11 LYS H A 9 CYS HBy 1.0 1.910 4.392 40 15 A 23 LYS HE2 A 22 HIS HD2 1.0 1.911 4.401 41 15 A 23 LYS HE3 A 22 HIS HD2 1.0 1.911 4.401 42 15 A 19 LEU HA A 22 HIS HD2 1.0 1.911 4.401 43 16 A 18 GLU HGx A 13 PHE HE2 1.0 1.912 4.412 44 16 A 13 PHE HBy A 13 PHE HE2 1.0 1.912 4.412 45 16 A 13 PHE HBy A 13 PHE HE1 1.0 1.912 4.412 46 16 A 18 GLU HGx A 13 PHE HE1 1.0 1.912 4.412 47 17 A 9 CYS H A 7 ABA H 1.0 1.913 4.417 48 17 A 8 GLY H A 7 ABA H 1.0 1.913 4.417 49 18 A 30 LYS H A 29 GLU HBx 1.0 1.920 4.478 50 18 A 29 GLU H A 29 GLU HBx 1.0 1.920 4.478 51 19 A 9 CYS HBx A 10 GLY HAx 1.0 1.922 4.498 52 19 A 8 GLY HAx A 9 CYS HBx 1.0 1.922 4.498 53 20 A 19 LEU H A 13 PHE HBx 1.0 1.943 4.709 54 20 A 18 GLU H A 13 PHE HBx 1.0 1.943 4.709 55 21 A 23 LYS HE2 A 23 LYS H 1.0 1.948 4.758 56 21 A 23 LYS HE3 A 23 LYS H 1.0 1.948 4.758 57 21 A 19 LEU HA A 23 LYS H 1.0 1.948 4.758 58 22 A 14 THR HA A 1 PRO HBy 1.0 1.964 4.968 59 22 A 15 ARG HG2 A 14 THR HA 1.0 1.964 4.968 60 22 A 15 ARG HG3 A 14 THR HA 1.0 1.964 4.968 61 23 A 9 CYS H A 6 TRP HD1 1.0 1.973 5.087 62 23 A 8 GLY H A 6 TRP HD1 1.0 1.973 5.087 63 24 A 28 GLY HAy A 28 GLY HAx 1.0 1.282 1.924 64 25 A 18 GLU HGx A 18 GLU HGy 1.0 1.312 1.994 65 26 A 20 GLN HBy A 20 GLN HBx 1.0 1.315 2.001 66 27 A 15 ARG HDy A 15 ARG HDx 1.0 1.323 2.023 67 28 A 29 GLU HBx A 29 GLU HBy 1.0 1.330 2.040 68 29 A 1 PRO HGx A 1 PRO HGy 1.0 1.330 2.040 69 30 A 15 ARG HBy A 15 ARG HBx 1.0 1.355 2.101 70 31 A 10 GLY HAx A 10 GLY HAy 1.0 1.355 2.103 71 32 A 30 LYS HBy A 30 LYS HBx 1.0 1.358 2.110 72 33 A 1 PRO HBy A 1 PRO HGy 1.0 1.362 2.120 73 34 A 2 PHE HE2 A 2 PHE HZ 1.0 1.397 2.211 74 34 A 2 PHE HE1 A 2 PHE HZ 1.0 1.397 2.211 75 35 A 4 CYS HBx A 4 CYS HBy 1.0 1.413 2.253 76 36 A 9 CYS HBy A 9 CYS HBx 1.0 1.414 2.256 77 37 A 6 TRP HBy A 6 TRP HBx 1.0 1.416 2.262 78 38 A 13 PHE HBy A 13 PHE HBx 1.0 1.441 2.331 79 39 A 2 PHE HBx A 2 PHE HBy 1.0 1.441 2.331 80 40 A 26 HIS HBx A 26 HIS HBy 1.0 1.443 2.335 81 41 A 22 HIS HBx A 22 HIS HBy 1.0 1.449 2.353 82 42 A 18 GLU HBx A 18 GLU HBy 1.0 1.460 2.382 83 43 A 13 PHE HE2 A 13 PHE HD1 1.0 1.463 2.391 84 43 A 13 PHE HE2 A 13 PHE HD2 1.0 1.463 2.391 85 43 A 13 PHE HE1 A 13 PHE HD2 1.0 1.463 2.391 86 43 A 13 PHE HE1 A 13 PHE HD1 1.0 1.463 2.391 87 44 A 23 LYS HDy A 23 LYS HDx 1.0 1.469 2.407 88 45 A 19 LEU HBy A 19 LEU HBx 1.0 1.480 2.442 89 46 A 16 SER HBy A 16 SER HBx 1.0 1.480 2.442 90 47 A 20 GLN HE2x A 20 GLN HE2y 1.0 1.487 2.461 91 48 A 6 TRP HH2 A 6 TRP HZ3 1.0 1.494 2.482 92 49 A 29 GLU HGy A 29 GLU HBx 1.0 1.521 2.565 93 50 A 13 PHE HE2 A 13 PHE HZ 1.0 1.534 2.604 94 50 A 13 PHE HE1 A 13 PHE HZ 1.0 1.534 2.604 95 51 A 30 LYS HDy A 30 LYS HDx 1.0 1.549 2.653 96 52 A 1 PRO HBx A 1 PRO HBy 1.0 1.553 2.663 97 53 A 23 LYS HDy A 23 LYS HG2 1.0 1.566 2.706 98 53 A 23 LYS HDy A 23 LYS HG3 1.0 1.566 2.706 99 54 A 5 THR HB A 5 THR HG2% 1.0 1.566 2.708 100 55 A 13 PHE HBy A 13 PHE HD2 1.0 1.570 2.718 101 55 A 13 PHE HBy A 13 PHE HD1 1.0 1.570 2.718 102 56 A 16 SER HA A 19 LEU HBx 1.0 1.574 2.736 103 57 A 11 LYS HG2 A 11 LYS HD2 1.0 1.576 2.740 104 57 A 11 LYS HG3 A 11 LYS HD2 1.0 1.576 2.740 105 57 A 11 LYS HG2 A 11 LYS HD3 1.0 1.576 2.740 106 57 A 11 LYS HG3 A 11 LYS HD3 1.0 1.576 2.740 107 58 A 6 TRP HE3 A 6 TRP HZ3 1.0 1.576 2.742 108 59 A 23 LYS HA A 26 HIS HD2 1.0 1.584 2.766 109 60 A 6 TRP HA A 7 ABA H 1.0 1.587 2.779 110 61 A 13 PHE HBx A 13 PHE HD2 1.0 1.589 2.785 111 61 A 13 PHE HBx A 13 PHE HD1 1.0 1.589 2.785 112 62 A 11 LYS HG2 A 11 LYS HB2 1.0 1.592 2.794 113 62 A 11 LYS HG3 A 11 LYS HB2 1.0 1.592 2.794 114 62 A 11 LYS HG2 A 11 LYS HB3 1.0 1.592 2.794 115 62 A 11 LYS HG3 A 11 LYS HB3 1.0 1.592 2.794 116 63 A 2 PHE HD2 A 2 PHE HBx 1.0 1.596 2.808 117 63 A 2 PHE HD1 A 2 PHE HBx 1.0 1.596 2.808 118 64 A 10 GLY H A 9 CYS HBy 1.0 1.598 2.814 119 65 A 18 GLU HBx A 18 GLU HGx 1.0 1.599 2.817 120 66 A 2 PHE HD2 A 2 PHE HBy 1.0 1.604 2.834 121 66 A 2 PHE HD1 A 2 PHE HBy 1.0 1.604 2.834 122 67 A 30 LYS HDx A 30 LYS HE2 1.0 1.604 2.836 123 67 A 30 LYS HDx A 30 LYS HE3 1.0 1.604 2.836 124 68 A 25 THR HA A 25 THR HB 1.0 1.606 2.844 125 69 A 1 PRO HD2 A 1 PRO HGy 1.0 1.611 2.863 126 69 A 1 PRO HD3 A 1 PRO HGy 1.0 1.611 2.863 127 70 A 19 LEU HDx% A 19 LEU HG 1.0 1.612 2.864 128 71 A 23 LYS HB2 A 23 LYS HA 1.0 1.615 2.877 129 71 A 23 LYS HB3 A 23 LYS HA 1.0 1.615 2.877 130 72 A 1 PRO HD2 A 1 PRO HGx 1.0 1.618 2.884 131 72 A 1 PRO HD3 A 1 PRO HGx 1.0 1.618 2.884 132 73 A 8 GLY HAy A 8 GLY HAx 1.0 1.619 2.889 133 74 A 16 SER H A 15 ARG HA 1.0 1.628 2.922 134 75 A 19 LEU HDy% A 19 LEU HG 1.0 1.634 2.942 135 76 A 11 LYS H A 11 LYS HB2 1.0 1.634 2.944 136 76 A 11 LYS H A 11 LYS HB3 1.0 1.634 2.944 137 77 A 22 HIS HBy A 22 HIS HA 1.0 1.638 2.958 138 78 A 10 GLY H A 10 GLY HAy 1.0 1.640 2.966 139 79 A 5 THR HG2% A 5 THR HA 1.0 1.643 2.977 140 80 A 19 LEU HA A 19 LEU HBy 1.0 1.647 2.993 141 81 A 20 GLN HG2 A 20 GLN HBx 1.0 1.648 2.996 142 81 A 20 GLN HG3 A 20 GLN HBx 1.0 1.648 2.996 143 82 A 20 GLN HG2 A 20 GLN HA 1.0 1.648 2.998 144 82 A 20 GLN HG3 A 20 GLN HA 1.0 1.648 2.998 145 83 A 19 LEU HA A 19 LEU HDy% 1.0 1.649 3.001 146 84 A 22 HIS HBx A 22 HIS H 1.0 1.652 3.012 147 85 A 25 THR HG2% A 25 THR HB 1.0 1.652 3.012 148 86 A 6 TRP HBx A 6 TRP H 1.0 1.655 3.023 149 87 A 19 LEU HG A 19 LEU HBy 1.0 1.663 3.051 150 88 A 19 LEU H A 19 LEU HBx 1.0 1.664 3.058 151 89 A 6 TRP HD1 A 6 TRP HE1 1.0 1.669 3.073 152 90 A 18 GLU HA A 18 GLU HGy 1.0 1.674 3.096 153 91 A 19 LEU HG A 19 LEU HBx 1.0 1.675 3.099 154 92 A 4 CYS HBy A 4 CYS HA 1.0 1.681 3.123 155 93 A 9 CYS H A 9 CYS HBy 1.0 1.683 3.131 156 94 A 2 PHE HBx A 2 PHE HA 1.0 1.684 3.136 157 95 A 20 GLN HG2 A 20 GLN HBy 1.0 1.684 3.138 158 95 A 20 GLN HG3 A 20 GLN HBy 1.0 1.684 3.138 159 96 A 4 CYS HBy A 22 HIS HD2 1.0 1.687 3.147 160 97 A 15 ARG HG2 A 14 THR HG2% 1.0 1.689 3.153 161 97 A 15 ARG HG3 A 14 THR HG2% 1.0 1.689 3.153 162 98 A 9 CYS H A 9 CYS HBx 1.0 1.690 3.160 163 99 A 15 ARG HG2 A 15 ARG HDy 1.0 1.695 3.179 164 99 A 15 ARG HG3 A 15 ARG HDy 1.0 1.695 3.179 165 100 A 22 HIS H A 22 HIS HBy 1.0 1.696 3.182 166 101 A 13 PHE HE2 A 4 CYS HBy 1.0 1.697 3.191 167 101 A 13 PHE HE1 A 4 CYS HBy 1.0 1.697 3.191 168 102 A 25 THR HG2% A 25 THR HA 1.0 1.698 3.196 169 103 A 16 SER HA A 16 SER HBx 1.0 1.700 3.200 170 104 A 15 ARG HBx A 15 ARG HA 1.0 1.700 3.200 171 105 A 23 LYS HB2 A 23 LYS HG3 1.0 1.701 3.205 172 105 A 23 LYS HB2 A 23 LYS HG2 1.0 1.701 3.205 173 105 A 23 LYS HB3 A 23 LYS HG2 1.0 1.701 3.205 174 105 A 23 LYS HB3 A 23 LYS HG3 1.0 1.701 3.205 175 106 A 18 GLU HA A 18 GLU HBy 1.0 1.701 3.207 176 107 A 15 ARG HG2 A 15 ARG HBx 1.0 1.701 3.207 177 107 A 15 ARG HG3 A 15 ARG HBx 1.0 1.701 3.207 178 108 A 13 PHE HE1 A 11 LYS HB2 1.0 1.704 3.222 179 108 A 13 PHE HE2 A 11 LYS HB2 1.0 1.704 3.222 180 108 A 13 PHE HE2 A 11 LYS HB3 1.0 1.704 3.222 181 108 A 13 PHE HE1 A 11 LYS HB3 1.0 1.704 3.222 182 109 A 2 PHE HD2 A 2 PHE HA 1.0 1.705 3.225 183 109 A 2 PHE HD1 A 2 PHE HA 1.0 1.705 3.225 184 110 A 19 LEU HDy% A 13 PHE HD1 1.0 1.707 3.227 185 110 A 19 LEU HDy% A 13 PHE HD2 1.0 1.707 3.227 186 111 A 4 CYS HBx A 4 CYS H 1.0 1.708 3.234 187 112 A 19 LEU HDy% A 4 CYS HBy 1.0 1.709 3.237 188 113 A 19 LEU HDx% A 19 LEU HBx 1.0 1.709 3.237 189 114 A 6 TRP HBy A 6 TRP H 1.0 1.710 3.242 190 115 A 26 HIS HBx A 26 HIS HD2 1.0 1.712 3.250 191 116 A 26 HIS HE1 A 9 CYS HBx 1.0 1.713 3.255 192 117 A 15 ARG HG2 A 15 ARG HA 1.0 1.715 3.263 193 117 A 15 ARG HG3 A 15 ARG HA 1.0 1.715 3.263 194 118 A 2 PHE HE2 A 15 ARG HA 1.0 1.716 3.268 195 118 A 2 PHE HE1 A 15 ARG HA 1.0 1.716 3.268 196 119 A 26 HIS HA A 26 HIS HBy 1.0 1.717 3.273 197 120 A 19 LEU H A 19 LEU HBy 1.0 1.718 3.276 198 121 A 19 LEU HDy% A 4 CYS HA 1.0 1.719 3.279 199 122 A 23 LYS HB2 A 20 GLN HA 1.0 1.719 3.279 200 122 A 23 LYS HB3 A 20 GLN HA 1.0 1.719 3.279 201 123 A 6 TRP HA A 6 TRP HBx 1.0 1.720 3.284 202 124 A 28 GLY HAx A 28 GLY H 1.0 1.720 3.284 203 125 A 29 GLU HGy A 29 GLU HBy 1.0 1.725 3.307 204 126 A 16 SER HA A 19 LEU HBy 1.0 1.728 3.322 205 127 A 13 PHE HD2 A 13 PHE H 1.0 1.729 3.327 206 127 A 13 PHE HD1 A 13 PHE H 1.0 1.729 3.327 207 128 A 19 LEU HDy% A 22 HIS HD2 1.0 1.729 3.327 208 129 A 15 ARG HBy A 15 ARG H 1.0 1.731 3.333 209 130 A 4 CYS HBy A 4 CYS H 1.0 1.733 3.345 210 131 A 6 TRP HBy A 6 TRP HA 1.0 1.734 3.348 211 132 A 14 THR HA A 14 THR HG2% 1.0 1.736 3.358 212 133 A 14 THR HA A 14 THR HB 1.0 1.737 3.361 213 134 A 13 PHE HD2 A 13 PHE HA 1.0 1.737 3.361 214 134 A 13 PHE HD1 A 13 PHE HA 1.0 1.737 3.361 215 135 A 20 GLN HA A 20 GLN HBx 1.0 1.738 3.368 216 136 A 22 HIS HBx A 22 HIS HD2 1.0 1.739 3.371 217 137 A 20 GLN H A 19 LEU HBx 1.0 1.741 3.377 218 138 A 18 GLU HBy A 13 PHE HD2 1.0 1.741 3.381 219 138 A 18 GLU HBy A 13 PHE HD1 1.0 1.741 3.381 220 139 A 10 GLY H A 10 GLY HAx 1.0 1.741 3.381 221 140 A 25 THR HA A 25 THR H 1.0 1.746 3.404 222 141 A 15 ARG HG2 A 15 ARG HDx 1.0 1.747 3.407 223 141 A 15 ARG HG3 A 15 ARG HDx 1.0 1.747 3.407 224 142 A 14 THR HG2% A 14 THR HB 1.0 1.747 3.411 225 143 A 13 PHE HBx A 13 PHE HA 1.0 1.748 3.414 226 144 A 6 TRP HBy A 9 CYS HBy 1.0 1.749 3.417 227 145 A 19 LEU H A 20 GLN H 1.0 1.750 3.422 228 146 A 11 LYS H A 11 LYS HA 1.0 1.753 3.435 229 147 A 20 GLN H A 20 GLN HBy 1.0 1.753 3.439 230 148 A 20 GLN HA A 20 GLN HBy 1.0 1.755 3.443 231 149 A 16 SER HA A 16 SER HBy 1.0 1.755 3.447 232 150 A 23 LYS HB2 A 23 LYS H 1.0 1.757 3.453 233 150 A 23 LYS HB3 A 23 LYS H 1.0 1.757 3.453 234 151 A 25 THR HG2% A 25 THR H 1.0 1.758 3.458 235 152 A 19 LEU HA A 19 LEU H 1.0 1.758 3.458 236 153 A 22 HIS HBx A 23 LYS H 1.0 1.759 3.461 237 154 A 26 HIS H A 25 THR H 1.0 1.759 3.461 238 155 A 2 PHE HBx A 19 LEU HG 1.0 1.760 3.468 239 156 A 6 TRP HE3 A 6 TRP HBx 1.0 1.761 3.473 240 157 A 13 PHE HBy A 19 LEU HBy 1.0 1.764 3.484 241 158 A 1 PRO HBx A 1 PRO HA 1.0 1.764 3.492 242 159 A 23 LYS HDy A 23 LYS HA 1.0 1.764 3.492 243 160 A 13 PHE HBy A 13 PHE H 1.0 1.766 3.496 244 161 A 15 ARG HBy A 15 ARG HA 1.0 1.766 3.500 245 162 A 4 CYS HBx A 11 LYS H 1.0 1.768 3.508 246 163 A 6 TRP HBy A 6 TRP HD1 1.0 1.769 3.513 247 164 A 22 HIS H A 22 HIS HA 1.0 1.770 3.516 248 165 A 9 CYS H A 9 CYS HA 1.0 1.773 3.533 249 166 A 1 PRO HBx A 1 PRO HGy 1.0 1.773 3.533 250 167 A 19 LEU HA A 19 LEU HBx 1.0 1.774 3.538 251 168 A 22 HIS HBx A 22 HIS HA 1.0 1.775 3.541 252 169 A 20 GLN H A 20 GLN HBx 1.0 1.777 3.551 253 170 A 25 THR HB A 25 THR H 1.0 1.777 3.555 254 171 A 23 LYS HA A 23 LYS H 1.0 1.779 3.559 255 172 A 20 GLN H A 20 GLN HA 1.0 1.780 3.568 256 173 A 4 CYS HBx A 4 CYS HA 1.0 1.780 3.568 257 174 A 11 LYS HG2 A 11 LYS H 1.0 1.782 3.578 258 174 A 11 LYS HG3 A 11 LYS H 1.0 1.782 3.578 259 175 A 19 LEU HDx% A 19 LEU HBy 1.0 1.785 3.591 260 176 A 18 GLU HA A 18 GLU HGx 1.0 1.785 3.591 261 177 A 10 GLY H A 11 LYS H 1.0 1.786 3.596 262 178 A 28 GLY HAy A 28 GLY H 1.0 1.787 3.605 263 179 A 10 GLY H A 9 CYS HBx 1.0 1.787 3.605 264 180 A 23 LYS HG2 A 26 HIS HD2 1.0 1.790 3.620 265 180 A 23 LYS HG3 A 26 HIS HD2 1.0 1.790 3.620 266 181 A 6 TRP HA A 6 TRP H 1.0 1.791 3.625 267 182 A 29 GLU HA A 29 GLU HBy 1.0 1.791 3.625 268 183 A 18 GLU HBy A 18 GLU HGy 1.0 1.792 3.630 269 184 A 18 GLU H A 15 ARG HBy 1.0 1.796 3.650 270 185 A 11 LYS HB2 A 13 PHE HZ 1.0 1.796 3.650 271 185 A 11 LYS HB3 A 13 PHE HZ 1.0 1.796 3.650 272 186 A 11 LYS HB2 A 11 LYS HA 1.0 1.801 3.671 273 186 A 11 LYS HB3 A 11 LYS HA 1.0 1.801 3.671 274 187 A 2 PHE HBy A 2 PHE HA 1.0 1.801 3.677 275 188 A 18 GLU HBx A 13 PHE HD2 1.0 1.801 3.677 276 188 A 18 GLU HBx A 13 PHE HD1 1.0 1.801 3.677 277 189 A 22 HIS HBy A 13 PHE HZ 1.0 1.802 3.682 278 190 A 13 PHE HBx A 15 ARG H 1.0 1.802 3.682 279 191 A 19 LEU HDx% A 16 SER HA 1.0 1.809 3.715 280 192 A 16 SER H A 16 SER HBy 1.0 1.809 3.715 281 193 A 10 GLY HAy A 5 THR HA 1.0 1.809 3.721 282 194 A 1 PRO HBx A 1 PRO HGx 1.0 1.809 3.721 283 195 A 6 TRP HZ2 A 6 TRP HE1 1.0 1.811 3.727 284 196 A 15 ARG HA A 15 ARG H 1.0 1.811 3.727 285 197 A 15 ARG HBx A 15 ARG H 1.0 1.811 3.733 286 198 A 22 HIS HD2 A 26 HIS HD2 1.0 1.813 3.739 287 199 A 16 SER H A 16 SER HA 1.0 1.813 3.739 288 200 A 19 LEU H A 16 SER HA 1.0 1.815 3.751 289 201 A 6 TRP HBy A 9 CYS HBx 1.0 1.817 3.763 290 202 A 9 CYS HBx A 9 CYS HA 1.0 1.818 3.768 291 203 A 19 LEU HDy% A 13 PHE HE1 1.0 1.819 3.775 292 203 A 19 LEU HDy% A 13 PHE HE2 1.0 1.819 3.775 293 204 A 1 PRO HBx A 14 THR HA 1.0 1.822 3.788 294 205 A 20 GLN H A 19 LEU HBy 1.0 1.822 3.794 295 206 A 4 CYS HBx A 11 LYS HB2 1.0 1.822 3.794 296 206 A 4 CYS HBx A 11 LYS HB3 1.0 1.822 3.794 297 207 A 13 PHE HD2 A 19 LEU HBy 1.0 1.822 3.794 298 207 A 13 PHE HD1 A 19 LEU HBy 1.0 1.822 3.794 299 208 A 15 ARG HDy A 15 ARG HBx 1.0 1.823 3.801 300 209 A 2 PHE HD2 A 15 ARG HA 1.0 1.825 3.807 301 209 A 2 PHE HD1 A 15 ARG HA 1.0 1.825 3.807 302 210 A 23 LYS HDy A 23 LYS H 1.0 1.825 3.807 303 211 A 18 GLU HBx A 13 PHE HBx 1.0 1.826 3.814 304 212 A 4 CYS HBx A 13 PHE HE2 1.0 1.827 3.821 305 212 A 4 CYS HBx A 13 PHE HE1 1.0 1.827 3.821 306 213 A 30 LYS HBy A 30 LYS HA 1.0 1.827 3.821 307 214 A 13 PHE HE2 A 22 HIS HD2 1.0 1.827 3.821 308 214 A 13 PHE HE1 A 22 HIS HD2 1.0 1.827 3.821 309 215 A 23 LYS HA A 23 LYS HG2 1.0 1.828 3.828 310 215 A 23 LYS HA A 23 LYS HG3 1.0 1.828 3.828 311 216 A 26 HIS HBx A 23 LYS HA 1.0 1.830 3.834 312 217 A 23 LYS HE2 A 23 LYS HDx 1.0 1.832 3.848 313 217 A 23 LYS HE3 A 23 LYS HDx 1.0 1.832 3.848 314 218 A 15 ARG HG2 A 15 ARG H 1.0 1.832 3.848 315 218 A 15 ARG HG3 A 15 ARG H 1.0 1.832 3.848 316 219 A 19 LEU HA A 13 PHE HD2 1.0 1.833 3.855 317 219 A 19 LEU HA A 13 PHE HD1 1.0 1.833 3.855 318 220 A 23 LYS H A 22 HIS H 1.0 1.838 3.884 319 221 A 16 SER H A 15 ARG HBx 1.0 1.838 3.884 320 222 A 19 LEU HDy% A 19 LEU HBy 1.0 1.838 3.884 321 223 A 11 LYS HG2 A 11 LYS HA 1.0 1.840 3.900 322 223 A 11 LYS HG3 A 11 LYS HA 1.0 1.840 3.900 323 224 A 13 PHE HE2 A 22 HIS HBy 1.0 1.841 3.907 324 224 A 13 PHE HE1 A 22 HIS HBy 1.0 1.841 3.907 325 225 A 13 PHE HBy A 13 PHE HA 1.0 1.841 3.907 326 226 A 29 GLU H A 28 GLY HAx 1.0 1.843 3.915 327 227 A 23 LYS HA A 22 HIS HD2 1.0 1.845 3.931 328 228 A 26 HIS H A 25 THR HB 1.0 1.847 3.939 329 229 A 9 CYS HBy A 6 TRP H 1.0 1.847 3.939 330 230 A 23 LYS HDx A 23 LYS HG2 1.0 1.847 3.939 331 230 A 23 LYS HDx A 23 LYS HG3 1.0 1.847 3.939 332 231 A 11 LYS HA A 11 LYS HD2 1.0 1.847 3.939 333 231 A 11 LYS HA A 11 LYS HD3 1.0 1.847 3.939 334 232 A 2 PHE HD1 A 19 LEU HDx% 1.0 1.848 3.946 335 232 A 2 PHE HD2 A 19 LEU HDx% 1.0 1.848 3.946 336 233 A 13 PHE HBx A 19 LEU HBy 1.0 1.848 3.946 337 234 A 6 TRP HE3 A 6 TRP HA 1.0 1.849 3.955 338 235 A 4 CYS H A 4 CYS HA 1.0 1.849 3.955 339 236 A 20 GLN HA A 23 LYS H 1.0 1.851 3.967 340 237 A 25 THR HG2% A 22 HIS HA 1.0 1.851 3.967 341 238 A 15 ARG HBy A 16 SER H 1.0 1.852 3.970 342 239 A 18 GLU HBy A 13 PHE HBx 1.0 1.852 3.972 343 240 A 2 PHE HD2 A 1 PRO HA 1.0 1.853 3.975 344 240 A 2 PHE HD1 A 1 PRO HA 1.0 1.853 3.975 345 241 A 23 LYS HDy A 22 HIS HD2 1.0 1.853 3.979 346 242 A 29 GLU H A 29 GLU HBy 1.0 1.854 3.986 347 243 A 2 PHE HE2 A 16 SER H 1.0 1.855 3.993 348 243 A 2 PHE HE1 A 16 SER H 1.0 1.855 3.993 349 244 A 15 ARG H A 14 THR HB 1.0 1.857 4.007 350 245 A 22 HIS HD2 A 22 HIS HBy 1.0 1.859 4.015 351 246 A 11 LYS HG2 A 11 LYS HE2 1.0 1.859 4.021 352 246 A 11 LYS HG2 A 11 LYS HE3 1.0 1.859 4.021 353 246 A 11 LYS HG3 A 11 LYS HE2 1.0 1.859 4.021 354 246 A 11 LYS HG3 A 11 LYS HE3 1.0 1.859 4.021 355 247 A 13 PHE HBx A 2 PHE HBy 1.0 1.860 4.022 356 248 A 18 GLU H A 18 GLU HGy 1.0 1.861 4.031 357 249 A 9 CYS H A 10 GLY H 1.0 1.861 4.031 358 250 A 13 PHE HE2 A 22 HIS HBx 1.0 1.862 4.034 359 250 A 13 PHE HE1 A 22 HIS HBx 1.0 1.862 4.034 360 251 A 26 HIS HBy A 26 HIS HD2 1.0 1.862 4.036 361 252 A 5 THR HA A 6 TRP H 1.0 1.862 4.036 362 253 A 13 PHE HBy A 19 LEU HDy% 1.0 1.863 4.039 363 254 A 6 TRP HD1 A 6 TRP HBx 1.0 1.862 4.040 364 255 A 19 LEU HDy% A 2 PHE HBy 1.0 1.864 4.044 365 256 A 11 LYS H A 10 GLY HAx 1.0 1.864 4.044 366 257 A 25 THR HG2% A 22 HIS HE1 1.0 1.865 4.057 367 258 A 29 GLU HA A 29 GLU HBx 1.0 1.865 4.059 368 259 A 1 PRO HBy A 1 PRO HA 1.0 1.866 4.060 369 260 A 23 LYS HDy A 26 HIS HD2 1.0 1.866 4.066 370 261 A 18 GLU H A 15 ARG HBx 1.0 1.869 4.083 371 262 A 13 PHE HE1 A 11 LYS HD2 1.0 1.872 4.100 372 262 A 13 PHE HE2 A 11 LYS HD2 1.0 1.872 4.100 373 262 A 13 PHE HE2 A 11 LYS HD3 1.0 1.872 4.100 374 262 A 13 PHE HE1 A 11 LYS HD3 1.0 1.872 4.100 375 263 A 1 PRO HBy A 1 PRO HGx 1.0 1.872 4.108 376 264 A 11 LYS HD2 A 22 HIS HE1 1.0 1.873 4.113 377 264 A 11 LYS HD3 A 22 HIS HE1 1.0 1.873 4.113 378 265 A 13 PHE H A 13 PHE HA 1.0 1.874 4.122 379 266 A 4 CYS HBx A 22 HIS HD2 1.0 1.878 4.146 380 267 A 26 HIS H A 25 THR HA 1.0 1.878 4.148 381 268 A 2 PHE HD2 A 14 THR HA 1.0 1.880 4.154 382 268 A 2 PHE HD1 A 14 THR HA 1.0 1.880 4.154 383 269 A 19 LEU HA A 22 HIS H 1.0 1.879 4.157 384 270 A 2 PHE HE2 A 16 SER HBy 1.0 1.882 4.176 385 270 A 2 PHE HE1 A 16 SER HBy 1.0 1.882 4.176 386 271 A 6 TRP HH2 A 6 TRP HE3 1.0 1.884 4.192 387 272 A 26 HIS HA A 25 THR HG2% 1.0 1.885 4.195 388 273 A 13 PHE HBx A 13 PHE H 1.0 1.885 4.199 389 274 A 20 GLN HG2 A 20 GLN HE2x 1.0 1.890 4.232 390 274 A 20 GLN HG3 A 20 GLN HE2x 1.0 1.890 4.232 391 275 A 13 PHE HD2 A 13 PHE HZ 1.0 1.890 4.238 392 275 A 13 PHE HD1 A 13 PHE HZ 1.0 1.890 4.238 393 276 A 6 TRP HBy A 7 ABA H 1.0 1.891 4.239 394 277 A 6 TRP HBy A 26 HIS HD2 1.0 1.891 4.241 395 278 A 19 LEU HDy% A 22 HIS HBx 1.0 1.892 4.246 396 279 A 19 LEU HDy% A 19 LEU HBx 1.0 1.895 4.273 397 280 A 14 THR HG2% A 15 ARG H 1.0 1.896 4.276 398 281 A 1 PRO HA A 2 PHE H 1.0 1.896 4.280 399 282 A 11 LYS H A 11 LYS HD2 1.0 1.897 4.287 400 282 A 11 LYS H A 11 LYS HD3 1.0 1.897 4.287 401 283 A 29 GLU H A 28 GLY HAy 1.0 1.897 4.291 402 284 A 26 HIS H A 26 HIS HD2 1.0 1.898 4.294 403 285 A 10 GLY H A 4 CYS HBx 1.0 1.899 4.303 404 286 A 23 LYS HE2 A 23 LYS HDy 1.0 1.900 4.310 405 286 A 23 LYS HE3 A 23 LYS HDy 1.0 1.900 4.310 406 287 A 19 LEU HDx% A 13 PHE HD1 1.0 1.900 4.310 407 287 A 19 LEU HDx% A 13 PHE HD2 1.0 1.900 4.310 408 288 A 13 PHE HD2 A 19 LEU HG 1.0 1.900 4.316 409 288 A 13 PHE HD1 A 19 LEU HG 1.0 1.900 4.316 410 289 A 2 PHE HBy A 13 PHE H 1.0 1.906 4.356 411 290 A 2 PHE HD2 A 2 PHE H 1.0 1.906 4.360 412 290 A 2 PHE HD1 A 2 PHE H 1.0 1.906 4.360 413 291 A 9 CYS HBy A 9 CYS HA 1.0 1.907 4.367 414 292 A 13 PHE HD1 A 11 LYS HB2 1.0 1.908 4.376 415 292 A 13 PHE HD2 A 11 LYS HB2 1.0 1.908 4.376 416 292 A 13 PHE HD2 A 11 LYS HB3 1.0 1.908 4.376 417 292 A 13 PHE HD1 A 11 LYS HB3 1.0 1.908 4.376 418 293 A 2 PHE HD2 A 16 SER HA 1.0 1.909 4.383 419 293 A 2 PHE HD1 A 16 SER HA 1.0 1.909 4.383 420 294 A 19 LEU HA A 20 GLN H 1.0 1.910 4.388 421 295 A 15 ARG HDx A 15 ARG HBx 1.0 1.911 4.403 422 296 A 14 THR HA A 14 THR H 1.0 1.911 4.407 423 297 A 18 GLU HA A 22 HIS H 1.0 1.912 4.410 424 298 A 2 PHE HZ A 15 ARG HA 1.0 1.913 4.415 425 299 A 13 PHE HZ A 22 HIS HE1 1.0 1.915 4.433 426 300 A 11 LYS H A 10 GLY HAy 1.0 1.916 4.440 427 301 A 19 LEU HDy% A 4 CYS H 1.0 1.916 4.440 428 302 A 9 CYS HBx A 6 TRP HD1 1.0 1.916 4.440 429 303 A 26 HIS HE1 A 6 TRP HD1 1.0 1.916 4.442 430 304 A 23 LYS H A 22 HIS HBy 1.0 1.916 4.446 431 305 A 10 GLY H A 9 CYS HA 1.0 1.918 4.460 432 306 A 9 CYS HBx A 6 TRP H 1.0 1.918 4.460 433 307 A 10 GLY H A 5 THR HA 1.0 1.918 4.468 434 308 A 7 ABA H A 6 TRP H 1.0 1.920 4.478 435 309 A 14 THR HA A 15 ARG H 1.0 1.920 4.480 436 310 A 26 HIS H A 25 THR HG2% 1.0 1.921 4.491 437 311 A 6 TRP HBy A 26 HIS HE1 1.0 1.922 4.498 438 312 A 23 LYS HB2 A 26 HIS HD2 1.0 1.923 4.501 439 312 A 23 LYS HB3 A 26 HIS HD2 1.0 1.923 4.501 440 313 A 6 TRP HA A 6 TRP HD1 1.0 1.922 4.506 441 314 A 23 LYS H A 22 HIS HA 1.0 1.923 4.515 442 315 A 2 PHE HD2 A 16 SER HBy 1.0 1.924 4.520 443 315 A 2 PHE HD1 A 16 SER HBy 1.0 1.924 4.520 444 316 A 11 LYS HD2 A 11 LYS HE3 1.0 1.924 4.524 445 316 A 11 LYS HD2 A 11 LYS HE2 1.0 1.924 4.524 446 316 A 11 LYS HD3 A 11 LYS HE2 1.0 1.924 4.524 447 316 A 11 LYS HD3 A 11 LYS HE3 1.0 1.924 4.524 448 317 A 14 THR HA A 15 ARG HA 1.0 1.925 4.525 449 318 A 22 HIS HD2 A 23 LYS HG2 1.0 1.928 4.552 450 318 A 22 HIS HD2 A 23 LYS HG3 1.0 1.928 4.552 451 319 A 22 HIS HD2 A 23 LYS H 1.0 1.930 4.582 452 320 A 13 PHE HBy A 15 ARG H 1.0 1.932 4.596 453 321 A 30 LYS HBx A 30 LYS HA 1.0 1.932 4.596 454 322 A 2 PHE HA A 2 PHE H 1.0 1.932 4.600 455 323 A 20 GLN HG2 A 20 GLN HE2y 1.0 1.932 4.600 456 323 A 20 GLN HG3 A 20 GLN HE2y 1.0 1.932 4.600 457 324 A 9 CYS HBx A 6 TRP HBx 1.0 1.936 4.636 458 325 A 2 PHE HE2 A 14 THR HA 1.0 1.937 4.645 459 325 A 2 PHE HE1 A 14 THR HA 1.0 1.937 4.645 460 326 A 2 PHE HD2 A 16 SER H 1.0 1.938 4.660 461 326 A 2 PHE HD1 A 16 SER H 1.0 1.938 4.660 462 327 A 11 LYS H A 4 CYS H 1.0 1.940 4.668 463 328 A 11 LYS HE2 A 22 HIS HE1 1.0 1.940 4.670 464 328 A 11 LYS HE3 A 22 HIS HE1 1.0 1.940 4.670 465 329 A 22 HIS HD2 A 22 HIS HE1 1.0 1.942 4.694 466 330 A 2 PHE HE2 A 16 SER HBx 1.0 1.943 4.699 467 330 A 2 PHE HE1 A 16 SER HBx 1.0 1.943 4.699 468 331 A 13 PHE HD2 A 4 CYS H 1.0 1.943 4.713 469 331 A 13 PHE HD1 A 4 CYS H 1.0 1.943 4.713 470 332 A 15 ARG H A 14 THR H 1.0 1.944 4.720 471 333 A 30 LYS H A 30 LYS HBy 1.0 1.947 4.743 472 334 A 20 GLN H A 16 SER HA 1.0 1.947 4.755 473 335 A 26 HIS HBy A 6 TRP HE1 1.0 1.947 4.755 474 336 A 26 HIS HE1 A 26 HIS HD2 1.0 1.948 4.762 475 337 A 19 LEU HDx% A 4 CYS HA 1.0 1.953 4.821 476 338 A 15 ARG HDy A 15 ARG HA 1.0 1.954 4.828 477 339 A 13 PHE HE2 A 4 CYS H 1.0 1.955 4.839 478 339 A 13 PHE HE1 A 4 CYS H 1.0 1.955 4.839 479 340 A 19 LEU HDx% A 19 LEU H 1.0 1.954 4.844 480 341 A 5 THR HB A 5 THR HA 1.0 1.957 4.863 481 342 A 22 HIS HD2 A 4 CYS HA 1.0 1.958 4.882 482 343 A 19 LEU HDx% A 20 GLN HG3 1.0 1.959 4.891 483 343 A 19 LEU HDx% A 20 GLN HG2 1.0 1.959 4.891 484 344 A 6 TRP HE3 A 26 HIS HD2 1.0 1.959 4.891 485 345 A 22 HIS HD2 A 22 HIS HA 1.0 1.961 4.911 486 346 A 26 HIS HA A 26 HIS HD2 1.0 1.961 4.917 487 347 A 23 LYS H A 23 LYS HG2 1.0 1.962 4.940 488 347 A 23 LYS H A 23 LYS HG3 1.0 1.962 4.940 489 348 A 23 LYS HA A 25 THR H 1.0 1.963 4.949 490 349 A 13 PHE HD1 A 14 THR HG2% 1.0 1.966 4.996 491 349 A 13 PHE HD2 A 14 THR HG2% 1.0 1.966 4.996 492 350 A 19 LEU HDy% A 23 LYS H 1.0 1.968 5.026 493 351 A 9 CYS HBy A 6 TRP HD1 1.0 1.968 5.032 494 352 A 16 SER HA A 15 ARG HA 1.0 1.969 5.039 495 353 A 9 CYS H A 6 TRP HBy 1.0 1.970 5.052 496 354 A 7 ABA H A 6 TRP HBx 1.0 1.973 5.095 497 355 A 19 LEU HDx% A 13 PHE HBy 1.0 1.973 5.097 498 356 A 30 LYS H A 30 LYS HA 1.0 1.973 5.101 499 357 A 14 THR HB A 14 THR H 1.0 1.976 5.150 500 358 A 6 TRP HE3 A 6 TRP H 1.0 1.976 5.150 501 359 A 19 LEU H A 19 LEU HDy% 1.0 1.977 5.161 502 360 A 20 GLN H A 23 LYS H 1.0 1.977 5.165 503 361 A 22 HIS HBx A 13 PHE HZ 1.0 1.979 5.193 504 362 A 7 ABA H A 6 TRP HD1 1.0 1.981 5.233 505 363 A 26 HIS HE1 A 6 TRP HBx 1.0 1.982 5.250 506 364 A 25 THR HG2% A 26 HIS HD2 1.0 1.982 5.272 507 365 A 19 LEU HDx% A 20 GLN HE2y 1.0 1.984 5.298 508 366 A 6 TRP HD1 A 6 TRP H 1.0 1.987 5.363 509 367 A 22 HIS HD2 A 22 HIS H 1.0 1.989 5.423 510 368 A 22 HIS HA A 25 THR H 1.0 1.994 5.554 511 369 A 5 THR HG2% A 6 TRP H 1.0 1.999 5.783 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 2 PHE H A 13 PHE O 1.0 1.8 2.0 2 2 A 13 PHE O A 2 PHE N 1.0 2.7 3.1 3 3 A 13 PHE H A 2 PHE O 1.0 1.8 2.0 4 4 A 2 PHE O A 13 PHE N 1.0 2.7 3.1 5 5 A 4 CYS H A 11 LYS O 1.0 1.8 2.0 6 6 A 11 LYS O A 4 CYS N 1.0 2.7 3.1 7 7 A 9 CYS H A 6 TRP O 1.0 1.8 2.0 8 8 A 6 TRP O A 9 CYS N 1.0 2.7 3.1 9 9 A 19 LEU H A 15 ARG O 1.0 1.8 2.0 10 10 A 15 ARG O A 19 LEU N 1.0 2.7 3.1 11 11 A 20 GLN H A 16 SER O 1.0 1.8 2.0 12 12 A 16 SER O A 20 GLN N 1.0 2.7 3.1 13 13 A 22 HIS H A 18 GLU O 1.0 1.8 2.0 14 14 A 18 GLU O A 22 HIS N 1.0 2.7 3.1 15 15 A 23 LYS H A 19 LEU O 1.0 1.8 2.0 16 16 A 19 LEU O A 23 LYS N 1.0 2.7 3.1 17 17 A 25 THR H A 22 HIS O 1.0 1.8 2.0 18 18 A 22 HIS O A 25 THR N 1.0 2.7 3.1 19 19 A 26 HIS H A 23 LYS O 1.0 1.8 2.0 20 20 A 23 LYS O A 26 HIS N 1.0 2.7 3.1 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 5 THR C A 6 TRP N A 6 TRP CA A 6 TRP C 1.0 -90.0 -40.0 PHI 2 2 A 14 THR C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -160.0 -80.0 PHI 3 3 A 19 LEU C A 20 GLN N A 20 GLN CA A 20 GLN C 1.0 -90.0 -40.0 PHI 4 4 A 22 HIS C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -90.0 -40.0 PHI stop_ save_