data_nef_c30496_6e5h 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 6E5H 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 4 CYS SG 1 18 CYS SG 1 14 CYS SG 1 27 CYS SG 1 11 TYR C 1 12 AIB N 1 12 AIB C 1 13 GLY N 1 19 ASP C 1 20 DPR N 1 20 DPR C 1 21 PRO N 1 27 CYS C 1 28 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 ASN start . . 2 A 2 ASP middle . . 3 A 3 LYS middle . . 4 A 4 CYS middle -HG . 5 A 5 LYS middle . . 6 A 6 GLU middle . . 7 A 7 LEU middle . . 8 A 8 LYS middle . . 9 A 9 LYS middle . . 10 A 10 ARG middle . . 11 A 11 TYR middle -OXT . 12 A 12 AIB middle -H2,-OXT . 13 A 13 GLY middle -H2 false 14 A 14 CYS middle -HG . 15 A 15 GLU middle . . 16 A 16 VAL middle . . 17 A 17 ARG middle . . 18 A 18 CYS middle -HG . 19 A 19 ASP middle -OXT . 20 A 20 DPR middle -H,-OXT . 21 A 21 PRO middle -H false 22 A 22 ARG middle . . 23 A 23 TYR middle . . 24 A 24 GLU middle . . 25 A 25 VAL middle . . 26 A 26 HIS middle . . 27 A 27 CYS middle -HG,-OXT . 28 A 28 NH2 end . . 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 ASN HA H 1 4.342 0.000 A 1 ASN HB2 H 1 3.013 0.000 A 1 ASN HB3 H 1 3.013 0.000 A 1 ASN HD2x H 1 7.059 0.000 A 1 ASN HD2y H 1 7.771 0.000 A 2 ASP H H 1 8.803 0.000 A 2 ASP HA H 1 4.700 0.003 A 2 ASP HBy H 1 2.836 0.001 A 2 ASP HBx H 1 2.700 0.001 A 3 LYS H H 1 8.497 0.001 A 3 LYS HA H 1 4.052 0.000 A 3 LYS HB2 H 1 1.771 0.000 A 3 LYS HB3 H 1 1.771 0.000 A 3 LYS HD2 H 1 1.587 0.000 A 3 LYS HD3 H 1 1.587 0.000 A 3 LYS HE2 H 1 2.815 0.000 A 3 LYS HE3 H 1 2.815 0.000 A 3 LYS HGy H 1 1.336 0.002 A 3 LYS HGx H 1 1.204 0.001 A 4 CYS H H 1 8.369 0.000 A 4 CYS HA H 1 4.201 0.001 A 4 CYS HB2 H 1 3.289 0.001 A 4 CYS HB3 H 1 3.289 0.001 A 5 LYS H H 1 7.891 0.000 A 5 LYS HA H 1 3.904 0.001 A 5 LYS HB2 H 1 1.853 0.001 A 5 LYS HB3 H 1 1.853 0.001 A 5 LYS HD2 H 1 1.696 0.000 A 5 LYS HD3 H 1 1.696 0.000 A 5 LYS HE2 H 1 2.985 0.000 A 5 LYS HE3 H 1 2.985 0.000 A 5 LYS HGy H 1 1.548 0.000 A 5 LYS HGx H 1 1.372 0.000 A 6 GLU H H 1 7.988 0.000 A 6 GLU HA H 1 4.043 0.001 A 6 GLU HB2 H 1 2.093 0.001 A 6 GLU HB3 H 1 2.093 0.001 A 6 GLU HGy H 1 2.440 0.001 A 6 GLU HGx H 1 2.331 0.001 A 7 LEU H H 1 8.177 0.001 A 7 LEU HA H 1 4.063 0.001 A 7 LEU HBy H 1 1.879 0.001 A 7 LEU HBx H 1 1.353 0.002 A 7 LEU HDx% H 1 0.484 0.001 A 7 LEU HDy% H 1 0.694 0.001 A 7 LEU HG H 1 1.643 0.002 A 8 LYS H H 1 8.230 0.000 A 8 LYS HA H 1 4.010 0.001 A 8 LYS HB2 H 1 1.854 0.002 A 8 LYS HB3 H 1 1.854 0.002 A 8 LYS HD2 H 1 1.679 0.000 A 8 LYS HD3 H 1 1.679 0.000 A 8 LYS HE2 H 1 3.033 0.000 A 8 LYS HE3 H 1 3.033 0.000 A 8 LYS HG2 H 1 1.454 0.000 A 8 LYS HG3 H 1 1.454 0.000 A 9 LYS H H 1 7.484 0.001 A 9 LYS HA H 1 4.112 0.001 A 9 LYS HB2 H 1 1.852 0.001 A 9 LYS HB3 H 1 1.852 0.001 A 9 LYS HD2 H 1 1.671 0.000 A 9 LYS HD3 H 1 1.671 0.000 A 9 LYS HE2 H 1 2.962 0.000 A 9 LYS HE3 H 1 2.962 0.000 A 9 LYS HGy H 1 1.511 0.000 A 9 LYS HGx H 1 1.407 0.000 A 10 ARG H H 1 7.778 0.003 A 10 ARG HA H 1 4.046 0.003 A 10 ARG HBy H 1 1.743 0.001 A 10 ARG HBx H 1 1.552 0.003 A 10 ARG HDy H 1 2.904 0.030 A 10 ARG HDx H 1 2.844 0.004 A 10 ARG HE H 1 7.037 0.001 A 10 ARG HGy H 1 1.243 0.000 A 10 ARG HGx H 1 0.972 0.001 A 11 TYR H H 1 7.849 0.001 A 11 TYR HA H 1 4.666 0.002 A 11 TYR HBy H 1 3.005 0.000 A 11 TYR HBx H 1 2.580 0.001 A 11 TYR HD1 H 1 7.173 0.000 A 11 TYR HD2 H 1 7.173 0.000 A 11 TYR HE1 H 1 6.739 0.000 A 11 TYR HE2 H 1 6.739 0.000 A 12 AIB H H 1 7.272 0.001 A 12 AIB HBx% H 1 1.430 0.000 A 12 AIB HBy% H 1 1.609 0.000 A 13 GLY H H 1 8.550 0.000 A 13 GLY HAy H 1 4.066 0.001 A 13 GLY HAx H 1 3.969 0.000 A 14 CYS H H 1 8.149 0.000 A 14 CYS HA H 1 5.157 0.001 A 14 CYS HBy H 1 3.505 0.001 A 14 CYS HBx H 1 2.558 0.002 A 15 GLU H H 1 8.478 0.000 A 15 GLU HA H 1 4.621 0.000 A 15 GLU HB2 H 1 2.156 0.000 A 15 GLU HB3 H 1 2.156 0.000 A 15 GLU HGy H 1 2.467 0.004 A 15 GLU HGx H 1 2.340 0.000 A 16 VAL H H 1 8.762 0.001 A 16 VAL HA H 1 4.839 0.000 A 16 VAL HB H 1 1.962 0.001 A 16 VAL HGx% H 1 0.851 0.001 A 16 VAL HGy% H 1 0.908 0.002 A 17 ARG H H 1 8.965 0.001 A 17 ARG HA H 1 4.685 0.001 A 17 ARG HBy H 1 1.833 0.007 A 17 ARG HBx H 1 1.721 0.001 A 17 ARG HD2 H 1 3.151 0.001 A 17 ARG HD3 H 1 3.151 0.001 A 17 ARG HE H 1 7.250 0.001 A 17 ARG HGy H 1 1.598 0.000 A 17 ARG HGx H 1 1.511 0.003 A 18 CYS H H 1 8.947 0.000 A 18 CYS HA H 1 4.770 0.000 A 18 CYS HBy H 1 3.656 0.001 A 18 CYS HBx H 1 3.109 0.001 A 19 ASP H H 1 8.611 0.000 A 19 ASP HA H 1 5.139 0.002 A 19 ASP HBy H 1 2.678 0.000 A 19 ASP HBx H 1 2.472 0.002 A 20 DPR HA H 1 4.702 0.001 A 20 DPR HBy H 1 2.313 0.000 A 20 DPR HBx H 1 1.929 0.001 A 20 DPR HDy H 1 3.889 0.002 A 20 DPR HDx H 1 3.478 0.001 A 20 DPR HGy H 1 2.170 0.000 A 20 DPR HGx H 1 2.034 0.003 A 21 PRO HA H 1 4.563 0.001 A 21 PRO HBy H 1 2.219 0.001 A 21 PRO HBx H 1 2.137 0.000 A 21 PRO HDy H 1 3.977 0.002 A 21 PRO HDx H 1 3.710 0.000 A 21 PRO HGy H 1 2.088 0.000 A 21 PRO HGx H 1 1.872 0.000 A 22 ARG H H 1 7.657 0.001 A 22 ARG HA H 1 4.446 0.002 A 22 ARG HB2 H 1 1.828 0.000 A 22 ARG HB3 H 1 1.828 0.000 A 22 ARG HD2 H 1 3.194 0.000 A 22 ARG HD3 H 1 3.194 0.000 A 22 ARG HE H 1 7.226 0.004 A 22 ARG HG2 H 1 1.551 0.001 A 22 ARG HG3 H 1 1.551 0.001 A 23 TYR H H 1 8.203 0.000 A 23 TYR HA H 1 5.195 0.002 A 23 TYR HBy H 1 2.789 0.001 A 23 TYR HBx H 1 2.712 0.002 A 23 TYR HD1 H 1 6.913 0.000 A 23 TYR HD2 H 1 6.913 0.000 A 23 TYR HE1 H 1 6.719 0.000 A 23 TYR HE2 H 1 6.719 0.000 A 24 GLU H H 1 8.736 0.000 A 24 GLU HA H 1 4.607 0.000 A 24 GLU HB2 H 1 1.911 0.000 A 24 GLU HB3 H 1 1.911 0.000 A 24 GLU HG2 H 1 2.270 0.000 A 24 GLU HG3 H 1 2.270 0.000 A 25 VAL H H 1 8.616 0.000 A 25 VAL HA H 1 4.614 0.002 A 25 VAL HB H 1 1.692 0.004 A 25 VAL HGx% H 1 0.396 0.001 A 25 VAL HGy% H 1 0.584 0.001 A 26 HIS H H 1 9.122 0.000 A 26 HIS HA H 1 4.989 0.001 A 26 HIS HBy H 1 3.281 0.001 A 26 HIS HBx H 1 3.149 0.000 A 26 HIS HD2 H 1 7.215 0.000 A 26 HIS HE1 H 1 8.597 0.000 A 27 CYS H H 1 9.198 0.000 A 27 CYS HA H 1 4.850 0.000 A 27 CYS HBy H 1 3.231 0.000 A 27 CYS HBx H 1 2.855 0.000 A 28 NH2 HNx H 1 7.198 0.000 A 28 NH2 HNy H 1 7.833 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 19 ASP HBy A 19 ASP HBx 1.0 1.378 2.162 2 2 A 14 CYS HBy A 14 CYS HBx 1.0 1.390 2.192 3 3 A 27 CYS HBy A 27 CYS HBx 1.0 1.390 2.194 4 4 A 23 TYR HD1 A 23 TYR HE2 1.0 1.395 2.203 5 4 A 23 TYR HD2 A 23 TYR HE2 1.0 1.395 2.203 6 4 A 23 TYR HE1 A 23 TYR HD2 1.0 1.395 2.203 7 4 A 23 TYR HE1 A 23 TYR HD1 1.0 1.395 2.203 8 5 A 11 TYR HBy A 11 TYR HBx 1.0 1.395 2.203 9 6 A 18 CYS HBy A 18 CYS HBx 1.0 1.395 2.205 10 7 A 1 ASN HD2x A 1 ASN HD2y 1.0 1.395 2.205 11 8 A 20 DPR HBy A 20 DPR HBx 1.0 1.414 2.256 12 9 A 21 PRO HDy A 21 PRO HDx 1.0 1.422 2.276 13 10 A 20 DPR HDy A 20 DPR HDx 1.0 1.425 2.285 14 11 A 11 TYR HD1 A 11 TYR HE2 1.0 1.491 2.475 15 11 A 11 TYR HD2 A 11 TYR HE2 1.0 1.491 2.475 16 11 A 11 TYR HE1 A 11 TYR HD2 1.0 1.491 2.475 17 11 A 11 TYR HE1 A 11 TYR HD1 1.0 1.491 2.475 18 12 A 24 GLU HA A 25 VAL H 1.0 1.504 2.512 19 13 A 15 GLU HA A 16 VAL H 1.0 1.506 2.520 20 14 A 17 ARG HA A 18 CYS H 1.0 1.518 2.556 21 15 A 25 VAL HA A 26 HIS H 1.0 1.530 2.590 22 16 A 26 HIS HA A 27 CYS H 1.0 1.551 2.657 23 17 A 22 ARG HA A 23 TYR H 1.0 1.561 2.693 24 18 A 10 ARG HGy A 10 ARG HGx 1.0 1.564 2.700 25 19 A 23 TYR HA A 24 GLU H 1.0 1.564 2.702 26 20 A 16 VAL HA A 17 ARG H 1.0 1.566 2.708 27 21 A 7 LEU HG A 7 LEU HA 1.0 1.569 2.715 28 22 A 20 DPR HDx A 19 ASP HA 1.0 1.571 2.725 29 23 A 4 CYS H A 4 CYS HB2 1.0 1.586 2.774 30 23 A 4 CYS HB3 A 4 CYS H 1.0 1.586 2.774 31 24 A 21 PRO HDx A 20 DPR HA 1.0 1.588 2.784 32 25 A 14 CYS HA A 15 GLU H 1.0 1.614 2.870 33 26 A 18 CYS H A 18 CYS HA 1.0 1.616 2.880 34 27 A 21 PRO HDy A 20 DPR HA 1.0 1.619 2.889 35 28 A 22 ARG H A 22 ARG HB2 1.0 1.620 2.894 36 28 A 22 ARG HB3 A 22 ARG H 1.0 1.620 2.894 37 29 A 16 VAL HB A 16 VAL HGy% 1.0 1.624 2.908 38 30 A 11 TYR HBy A 11 TYR HD2 1.0 1.626 2.914 39 30 A 11 TYR HBy A 11 TYR HD1 1.0 1.626 2.914 40 31 A 25 VAL HGy% A 25 VAL HGx% 1.0 1.627 2.921 41 32 A 23 TYR HD2 A 23 TYR HBy 1.0 1.636 2.952 42 32 A 23 TYR HD1 A 23 TYR HBy 1.0 1.636 2.952 43 33 A 25 VAL HGy% A 25 VAL HB 1.0 1.639 2.965 44 34 A 23 TYR HD2 A 23 TYR HBx 1.0 1.641 2.971 45 34 A 23 TYR HD1 A 23 TYR HBx 1.0 1.641 2.971 46 35 A 3 LYS H A 3 LYS HB2 1.0 1.642 2.972 47 35 A 3 LYS HB3 A 3 LYS H 1.0 1.642 2.972 48 36 A 20 DPR HBx A 20 DPR HA 1.0 1.643 2.977 49 37 A 22 ARG HA A 22 ARG HB2 1.0 1.643 2.979 50 37 A 22 ARG HA A 22 ARG HB3 1.0 1.643 2.979 51 38 A 6 GLU H A 6 GLU HB2 1.0 1.644 2.984 52 38 A 6 GLU HB3 A 6 GLU H 1.0 1.644 2.984 53 39 A 5 LYS H A 5 LYS HB2 1.0 1.647 2.991 54 39 A 5 LYS HB3 A 5 LYS H 1.0 1.647 2.991 55 40 A 15 GLU HA A 15 GLU HB2 1.0 1.651 3.009 56 40 A 15 GLU HA A 15 GLU HB3 1.0 1.651 3.009 57 41 A 13 GLY H A 13 GLY HAy 1.0 1.654 3.018 58 42 A 14 CYS HBx A 11 TYR HBx 1.0 1.655 3.021 59 43 A 3 LYS H A 2 ASP HA 1.0 1.657 3.031 60 44 A 25 VAL HGx% A 25 VAL HB 1.0 1.658 3.032 61 45 A 4 CYS HB2 A 4 CYS HA 1.0 1.657 3.033 62 45 A 4 CYS HB3 A 4 CYS HA 1.0 1.657 3.033 63 46 A 15 GLU H A 15 GLU HB2 1.0 1.662 3.050 64 46 A 15 GLU H A 15 GLU HB3 1.0 1.662 3.050 65 47 A 11 TYR HD2 A 11 TYR HA 1.0 1.662 3.050 66 47 A 11 TYR HD1 A 11 TYR HA 1.0 1.662 3.050 67 48 A 23 TYR HA A 23 TYR HBx 1.0 1.662 3.052 68 49 A 23 TYR HA A 23 TYR HBy 1.0 1.664 3.056 69 50 A 11 TYR HBx A 11 TYR HD2 1.0 1.664 3.058 70 50 A 11 TYR HBx A 11 TYR HD1 1.0 1.664 3.058 71 51 A 21 PRO HA A 21 PRO HBx 1.0 1.665 3.061 72 52 A 16 VAL HB A 16 VAL HGx% 1.0 1.669 3.073 73 53 A 14 CYS HBy A 14 CYS HA 1.0 1.673 3.089 74 54 A 10 ARG HGx A 10 ARG HA 1.0 1.673 3.091 75 55 A 7 LEU HDy% A 7 LEU HDx% 1.0 1.673 3.091 76 56 A 7 LEU HBx A 7 LEU H 1.0 1.673 3.093 77 57 A 8 LYS HA A 8 LYS HB2 1.0 1.680 3.118 78 57 A 8 LYS HB3 A 8 LYS HA 1.0 1.680 3.118 79 58 A 21 PRO HDx A 21 PRO HGy 1.0 1.684 3.136 80 59 A 14 CYS HBy A 15 GLU H 1.0 1.687 3.145 81 60 A 16 VAL H A 16 VAL HB 1.0 1.687 3.149 82 61 A 7 LEU HG A 7 LEU HDy% 1.0 1.688 3.152 83 62 A 11 TYR HBy A 11 TYR H 1.0 1.688 3.154 84 63 A 17 ARG HA A 17 ARG HBy 1.0 1.689 3.157 85 64 A 18 CYS HBy A 18 CYS H 1.0 1.690 3.160 86 65 A 17 ARG HA A 17 ARG HBx 1.0 1.693 3.173 87 66 A 27 CYS HBx A 27 CYS HA 1.0 1.693 3.173 88 67 A 25 VAL H A 25 VAL HB 1.0 1.693 3.173 89 68 A 8 LYS HA A 8 LYS HG2 1.0 1.694 3.178 90 68 A 8 LYS HA A 8 LYS HG3 1.0 1.694 3.178 91 69 A 27 CYS HBy A 27 CYS H 1.0 1.694 3.178 92 70 A 21 PRO HA A 21 PRO HBy 1.0 1.696 3.186 93 71 A 7 LEU HA A 7 LEU HDy% 1.0 1.697 3.189 94 72 A 11 TYR HBx A 11 TYR HA 1.0 1.698 3.192 95 73 A 26 HIS HA A 26 HIS HBy 1.0 1.699 3.199 96 74 A 6 GLU H A 5 LYS H 1.0 1.701 3.207 97 75 A 25 VAL H A 24 GLU HB2 1.0 1.704 3.218 98 75 A 25 VAL H A 24 GLU HB3 1.0 1.704 3.218 99 76 A 2 ASP HA A 2 ASP HBy 1.0 1.704 3.220 100 77 A 14 CYS HBx A 14 CYS H 1.0 1.707 3.233 101 78 A 13 GLY H A 13 GLY HAx 1.0 1.709 3.241 102 79 A 16 VAL HA A 16 VAL HGy% 1.0 1.710 3.244 103 80 A 20 DPR HDy A 20 DPR HGx 1.0 1.712 3.250 104 81 A 21 PRO HDy A 21 PRO HGy 1.0 1.713 3.259 105 82 A 19 ASP HBy A 19 ASP HA 1.0 1.714 3.260 106 83 A 21 PRO HDy A 21 PRO HGx 1.0 1.715 3.267 107 84 A 11 TYR HD2 A 11 TYR H 1.0 1.715 3.267 108 84 A 11 TYR HD1 A 11 TYR H 1.0 1.715 3.267 109 85 A 25 VAL HA A 25 VAL HGy% 1.0 1.717 3.271 110 86 A 7 LEU HG A 7 LEU H 1.0 1.717 3.277 111 87 A 16 VAL HA A 16 VAL HGx% 1.0 1.717 3.277 112 88 A 10 ARG HBx A 10 ARG H 1.0 1.717 3.277 113 89 A 4 CYS HB2 A 5 LYS H 1.0 1.719 3.279 114 89 A 4 CYS HB3 A 5 LYS H 1.0 1.719 3.279 115 90 A 20 DPR HDx A 20 DPR HGy 1.0 1.719 3.279 116 91 A 11 TYR HE1 A 7 LEU HDy% 1.0 1.719 3.283 117 91 A 11 TYR HE2 A 7 LEU HDy% 1.0 1.719 3.283 118 92 A 15 GLU HB2 A 15 GLU HGx 1.0 1.720 3.288 119 92 A 15 GLU HB3 A 15 GLU HGx 1.0 1.720 3.288 120 93 A 19 ASP HBx A 19 ASP HA 1.0 1.720 3.290 121 94 A 11 TYR HBy A 16 VAL HGy% 1.0 1.720 3.290 122 95 A 10 ARG H A 10 ARG HBy 1.0 1.725 3.309 123 96 A 18 CYS HA A 19 ASP H 1.0 1.732 3.342 124 97 A 26 HIS HA A 26 HIS HBx 1.0 1.737 3.359 125 98 A 16 VAL HGy% A 8 LYS HA 1.0 1.739 3.371 126 99 A 6 GLU H A 7 LEU H 1.0 1.740 3.376 127 100 A 16 VAL HGy% A 25 VAL HGy% 1.0 1.743 3.391 128 101 A 1 ASN HA A 1 ASN HB2 1.0 1.750 3.420 129 101 A 1 ASN HA A 1 ASN HB3 1.0 1.750 3.420 130 102 A 23 TYR H A 22 ARG HB2 1.0 1.751 3.429 131 102 A 23 TYR H A 22 ARG HB3 1.0 1.751 3.429 132 103 A 7 LEU HG A 7 LEU HDx% 1.0 1.751 3.429 133 104 A 22 ARG HB2 A 22 ARG HE 1.0 1.751 3.429 134 104 A 22 ARG HB3 A 22 ARG HE 1.0 1.751 3.429 135 105 A 9 LYS HA A 9 LYS HB2 1.0 1.752 3.432 136 105 A 9 LYS HB3 A 9 LYS HA 1.0 1.752 3.432 137 106 A 22 ARG HA A 22 ARG HG2 1.0 1.754 3.440 138 106 A 22 ARG HA A 22 ARG HG3 1.0 1.754 3.440 139 107 A 20 DPR HBy A 20 DPR HA 1.0 1.755 3.443 140 108 A 25 VAL HA A 25 VAL HGx% 1.0 1.755 3.445 141 109 A 17 ARG H A 17 ARG HBy 1.0 1.756 3.454 142 110 A 6 GLU HB2 A 7 LEU H 1.0 1.757 3.457 143 110 A 6 GLU HB3 A 7 LEU H 1.0 1.757 3.457 144 111 A 10 ARG H A 9 LYS H 1.0 1.758 3.460 145 112 A 24 GLU H A 17 ARG H 1.0 1.758 3.460 146 113 A 6 GLU H A 5 LYS HB2 1.0 1.760 3.466 147 113 A 6 GLU H A 5 LYS HB3 1.0 1.760 3.466 148 114 A 11 TYR HA A 12 ABA H 1.0 1.760 3.466 149 115 A 20 DPR HDy A 20 DPR HGy 1.0 1.762 3.478 150 116 A 24 GLU HA A 24 GLU HB2 1.0 1.764 3.486 151 116 A 24 GLU HA A 24 GLU HB3 1.0 1.764 3.486 152 117 A 13 GLY H A 14 CYS H 1.0 1.765 3.493 153 118 A 14 CYS HBy A 25 VAL HGx% 1.0 1.765 3.493 154 119 A 7 LEU HDx% A 7 LEU HBy 1.0 1.766 3.502 155 120 A 10 ARG H A 9 LYS HB2 1.0 1.766 3.502 156 120 A 10 ARG H A 9 LYS HB3 1.0 1.766 3.502 157 121 A 2 ASP HA A 2 ASP HBx 1.0 1.769 3.515 158 122 A 11 TYR H A 10 ARG HBy 1.0 1.769 3.515 159 123 A 21 PRO HDx A 21 PRO HGx 1.0 1.770 3.518 160 124 A 4 CYS H A 5 LYS H 1.0 1.770 3.518 161 125 A 23 TYR HE2 A 4 CYS HB2 1.0 1.772 3.524 162 125 A 23 TYR HE2 A 4 CYS HB3 1.0 1.772 3.524 163 125 A 23 TYR HE1 A 4 CYS HB3 1.0 1.772 3.524 164 125 A 23 TYR HE1 A 4 CYS HB2 1.0 1.772 3.524 165 126 A 6 GLU HB2 A 6 GLU HGx 1.0 1.773 3.531 166 126 A 6 GLU HB3 A 6 GLU HGx 1.0 1.773 3.531 167 127 A 26 HIS H A 26 HIS HBy 1.0 1.774 3.534 168 128 A 17 ARG H A 16 VAL HGx% 1.0 1.774 3.538 169 129 A 7 LEU HDy% A 7 LEU HBy 1.0 1.774 3.538 170 130 A 4 CYS H A 3 LYS H 1.0 1.776 3.544 171 131 A 16 VAL HGx% A 7 LEU HBx 1.0 1.776 3.544 172 132 A 15 GLU HA A 15 GLU H 1.0 1.776 3.544 173 133 A 24 GLU HA A 24 GLU HG2 1.0 1.776 3.548 174 133 A 24 GLU HA A 24 GLU HG3 1.0 1.776 3.548 175 134 A 20 DPR HDx A 20 DPR HGx 1.0 1.777 3.551 176 135 A 7 LEU HDx% A 7 LEU HBx 1.0 1.777 3.551 177 136 A 14 CYS HBy A 27 CYS HA 1.0 1.778 3.554 178 137 A 8 LYS HA A 8 LYS H 1.0 1.778 3.554 179 138 A 5 LYS HA A 5 LYS HD2 1.0 1.778 3.554 180 138 A 5 LYS HD3 A 5 LYS HA 1.0 1.778 3.554 181 139 A 19 ASP HBx A 19 ASP H 1.0 1.778 3.554 182 140 A 16 VAL HGx% A 7 LEU HDy% 1.0 1.778 3.558 183 141 A 4 CYS H A 4 CYS HA 1.0 1.780 3.568 184 142 A 27 CYS HBx A 27 CYS H 1.0 1.784 3.586 185 143 A 9 LYS H A 8 LYS H 1.0 1.785 3.589 186 144 A 25 VAL HA A 25 VAL HB 1.0 1.785 3.593 187 145 A 24 GLU H A 24 GLU HB2 1.0 1.786 3.596 188 145 A 24 GLU H A 24 GLU HB3 1.0 1.786 3.596 189 146 A 16 VAL H A 16 VAL HGy% 1.0 1.786 3.596 190 147 A 11 TYR HE2 A 7 LEU HA 1.0 1.786 3.596 191 147 A 11 TYR HE1 A 7 LEU HA 1.0 1.786 3.596 192 148 A 27 CYS H A 27 CYS HA 1.0 1.787 3.601 193 149 A 22 ARG HA A 22 ARG H 1.0 1.787 3.601 194 150 A 11 TYR HE1 A 25 VAL HGy% 1.0 1.788 3.604 195 150 A 11 TYR HE2 A 25 VAL HGy% 1.0 1.788 3.604 196 151 A 24 GLU H A 23 TYR HBy 1.0 1.788 3.608 197 152 A 14 CYS HA A 14 CYS H 1.0 1.789 3.615 198 153 A 11 TYR HBy A 11 TYR HA 1.0 1.791 3.623 199 154 A 19 ASP HBy A 19 ASP H 1.0 1.792 3.626 200 155 A 15 GLU HB2 A 26 HIS HBy 1.0 1.792 3.626 201 155 A 15 GLU HB3 A 26 HIS HBy 1.0 1.792 3.626 202 156 A 23 TYR HD2 A 23 TYR HA 1.0 1.792 3.626 203 156 A 23 TYR HD1 A 23 TYR HA 1.0 1.792 3.626 204 157 A 25 VAL H A 25 VAL HGy% 1.0 1.792 3.626 205 158 A 5 LYS H A 5 LYS HA 1.0 1.793 3.631 206 159 A 25 VAL HGy% A 16 VAL HGx% 1.0 1.794 3.638 207 160 A 26 HIS H A 26 HIS HBx 1.0 1.795 3.643 208 161 A 16 VAL HGx% A 7 LEU HBy 1.0 1.795 3.643 209 162 A 17 ARG H A 16 VAL HB 1.0 1.798 3.662 210 163 A 3 LYS H A 3 LYS HA 1.0 1.798 3.662 211 164 A 26 HIS H A 26 HIS HA 1.0 1.800 3.670 212 165 A 16 VAL HGy% A 7 LEU HBy 1.0 1.800 3.670 213 166 A 8 LYS HA A 8 LYS HD2 1.0 1.800 3.670 214 166 A 8 LYS HA A 8 LYS HD3 1.0 1.800 3.670 215 167 A 17 ARG HA A 17 ARG HGx 1.0 1.800 3.670 216 168 A 15 GLU HB2 A 26 HIS HBx 1.0 1.803 3.687 217 168 A 15 GLU HB3 A 26 HIS HBx 1.0 1.803 3.687 218 169 A 23 TYR HD2 A 23 TYR H 1.0 1.803 3.687 219 169 A 23 TYR HD1 A 23 TYR H 1.0 1.803 3.687 220 170 A 17 ARG HA A 17 ARG HGy 1.0 1.804 3.696 221 171 A 23 TYR H A 23 TYR HBy 1.0 1.806 3.700 222 172 A 9 LYS HA A 9 LYS H 1.0 1.806 3.700 223 173 A 11 TYR HA A 11 TYR H 1.0 1.806 3.700 224 174 A 27 CYS HBy A 27 CYS HA 1.0 1.806 3.704 225 175 A 11 TYR H A 10 ARG HBx 1.0 1.806 3.704 226 176 A 22 ARG H A 22 ARG HG2 1.0 1.808 3.714 227 176 A 22 ARG H A 22 ARG HG3 1.0 1.808 3.714 228 177 A 5 LYS HA A 5 LYS HGy 1.0 1.809 3.717 229 178 A 4 CYS H A 3 LYS HB2 1.0 1.811 3.727 230 178 A 4 CYS H A 3 LYS HB3 1.0 1.811 3.727 231 179 A 18 CYS HBy A 19 ASP H 1.0 1.811 3.727 232 180 A 1 ASN HA A 2 ASP H 1.0 1.814 3.750 233 181 A 21 PRO HDy A 21 PRO HBx 1.0 1.816 3.754 234 182 A 16 VAL H A 16 VAL HA 1.0 1.817 3.759 235 183 A 11 TYR HD1 A 16 VAL HGy% 1.0 1.817 3.763 236 183 A 11 TYR HD2 A 16 VAL HGy% 1.0 1.817 3.763 237 184 A 21 PRO HDx A 22 ARG H 1.0 1.820 3.778 238 185 A 23 TYR H A 23 TYR HA 1.0 1.820 3.778 239 186 A 23 TYR HBx A 7 LEU HDx% 1.0 1.822 3.788 240 187 A 7 LEU H A 7 LEU HBy 1.0 1.825 3.809 241 188 A 16 VAL HA A 16 VAL HB 1.0 1.827 3.819 242 189 A 11 TYR HD2 A 7 LEU HA 1.0 1.827 3.819 243 189 A 11 TYR HD1 A 7 LEU HA 1.0 1.827 3.819 244 190 A 26 HIS HBy A 26 HIS HD2 1.0 1.828 3.824 245 191 A 23 TYR HD1 A 7 LEU HDx% 1.0 1.829 3.835 246 191 A 23 TYR HD2 A 7 LEU HDx% 1.0 1.829 3.835 247 192 A 26 HIS H A 25 VAL HGx% 1.0 1.830 3.840 248 193 A 14 CYS H A 13 GLY HAx 1.0 1.831 3.845 249 194 A 16 VAL HGy% A 25 VAL HGx% 1.0 1.832 3.850 250 195 A 18 CYS HBx A 4 CYS HB2 1.0 1.833 3.857 251 195 A 18 CYS HBx A 4 CYS HB3 1.0 1.833 3.857 252 196 A 16 VAL H A 15 GLU HB2 1.0 1.838 3.884 253 196 A 16 VAL H A 15 GLU HB3 1.0 1.838 3.884 254 197 A 23 TYR HA A 19 ASP H 1.0 1.840 3.896 255 198 A 24 GLU H A 23 TYR HBx 1.0 1.840 3.902 256 199 A 11 TYR HE2 A 10 ARG HDy 1.0 1.840 3.902 257 199 A 11 TYR HE1 A 10 ARG HDy 1.0 1.840 3.902 258 200 A 11 TYR HD2 A 10 ARG HBy 1.0 1.842 3.914 259 200 A 11 TYR HD1 A 10 ARG HBy 1.0 1.842 3.914 260 201 A 11 TYR HD1 A 25 VAL HGx% 1.0 1.842 3.914 261 201 A 11 TYR HD2 A 25 VAL HGx% 1.0 1.842 3.914 262 202 A 24 GLU HA A 24 GLU H 1.0 1.848 3.944 263 203 A 4 CYS H A 3 LYS HA 1.0 1.848 3.944 264 204 A 18 CYS HBx A 18 CYS H 1.0 1.848 3.944 265 205 A 23 TYR HE2 A 7 LEU HDx% 1.0 1.848 3.944 266 205 A 23 TYR HE1 A 7 LEU HDx% 1.0 1.848 3.944 267 206 A 20 DPR HA A 20 DPR HGx 1.0 1.848 3.944 268 207 A 6 GLU HGy A 6 GLU HA 1.0 1.849 3.951 269 208 A 1 ASN HD2y A 1 ASN HB2 1.0 1.849 3.951 270 208 A 1 ASN HD2y A 1 ASN HB3 1.0 1.849 3.951 271 209 A 11 TYR HD2 A 25 VAL HGy% 1.0 1.850 3.958 272 209 A 11 TYR HD1 A 25 VAL HGy% 1.0 1.850 3.958 273 210 A 11 TYR HD2 A 7 LEU HBy 1.0 1.850 3.958 274 210 A 11 TYR HD1 A 7 LEU HBy 1.0 1.850 3.958 275 211 A 11 TYR HBx A 16 VAL HGy% 1.0 1.850 3.964 276 212 A 17 ARG HE A 17 ARG HD2 1.0 1.852 3.970 277 212 A 17 ARG HD3 A 17 ARG HE 1.0 1.852 3.970 278 213 A 13 GLY HAy A 14 CYS H 1.0 1.853 3.977 279 214 A 20 DPR HBy A 20 DPR HDy 1.0 1.853 3.977 280 215 A 18 CYS HBx A 20 DPR HDy 1.0 1.854 3.984 281 216 A 22 ARG H A 19 ASP H 1.0 1.856 3.998 282 217 A 20 DPR HBx A 21 PRO HDy 1.0 1.857 4.003 283 218 A 26 HIS H A 15 GLU HB2 1.0 1.857 4.003 284 218 A 26 HIS H A 15 GLU HB3 1.0 1.857 4.003 285 219 A 5 LYS H A 4 CYS HA 1.0 1.858 4.010 286 220 A 26 HIS H A 15 GLU H 1.0 1.861 4.025 287 221 A 23 TYR HE2 A 4 CYS HA 1.0 1.861 4.025 288 221 A 23 TYR HE1 A 4 CYS HA 1.0 1.861 4.025 289 222 A 14 CYS HBx A 15 GLU H 1.0 1.861 4.025 290 223 A 10 ARG HDy A 10 ARG HE 1.0 1.862 4.032 291 224 A 1 ASN HB2 A 2 ASP H 1.0 1.862 4.032 292 224 A 1 ASN HB3 A 2 ASP H 1.0 1.862 4.032 293 225 A 23 TYR HD2 A 16 VAL HGx% 1.0 1.864 4.054 294 225 A 23 TYR HD1 A 16 VAL HGx% 1.0 1.864 4.054 295 226 A 10 ARG H A 9 LYS HA 1.0 1.864 4.054 296 227 A 14 CYS HBx A 25 VAL HGx% 1.0 1.866 4.062 297 228 A 7 LEU HA A 10 ARG HBy 1.0 1.866 4.062 298 229 A 16 VAL HGx% A 7 LEU HDx% 1.0 1.866 4.062 299 230 A 7 LEU HG A 16 VAL HGx% 1.0 1.867 4.069 300 231 A 23 TYR HE2 A 18 CYS HBx 1.0 1.868 4.076 301 231 A 23 TYR HE1 A 18 CYS HBx 1.0 1.868 4.076 302 232 A 7 LEU HBy A 8 LYS H 1.0 1.868 4.076 303 233 A 16 VAL HB A 8 LYS HA 1.0 1.870 4.092 304 234 A 26 HIS H A 16 VAL HA 1.0 1.870 4.092 305 235 A 11 TYR HD1 A 7 LEU HDy% 1.0 1.870 4.092 306 235 A 11 TYR HD2 A 7 LEU HDy% 1.0 1.870 4.092 307 236 A 2 ASP HBy A 2 ASP H 1.0 1.870 4.092 308 237 A 11 TYR HBx A 11 TYR H 1.0 1.872 4.100 309 238 A 6 GLU H A 5 LYS HA 1.0 1.872 4.100 310 239 A 5 LYS H A 5 LYS HGx 1.0 1.872 4.108 311 240 A 4 CYS HA A 7 LEU HDx% 1.0 1.872 4.108 312 241 A 6 GLU H A 6 GLU HGx 1.0 1.872 4.108 313 242 A 14 CYS HBx A 16 VAL HGy% 1.0 1.872 4.108 314 243 A 22 ARG H A 21 PRO HA 1.0 1.874 4.116 315 244 A 15 GLU H A 27 CYS HA 1.0 1.874 4.124 316 245 A 23 TYR H A 23 TYR HBx 1.0 1.876 4.132 317 246 A 25 VAL HA A 17 ARG H 1.0 1.879 4.149 318 247 A 2 ASP HBx A 2 ASP H 1.0 1.879 4.157 319 248 A 18 CYS HBx A 19 ASP H 1.0 1.880 4.166 320 249 A 6 GLU H A 6 GLU HGy 1.0 1.883 4.183 321 250 A 4 CYS HA A 7 LEU HBx 1.0 1.883 4.183 322 251 A 24 GLU H A 24 GLU HG2 1.0 1.883 4.185 323 251 A 24 GLU H A 24 GLU HG3 1.0 1.883 4.185 324 252 A 16 VAL HGy% A 8 LYS HG2 1.0 1.884 4.188 325 252 A 16 VAL HGy% A 8 LYS HG3 1.0 1.884 4.188 326 253 A 17 ARG H A 16 VAL HGy% 1.0 1.884 4.188 327 254 A 24 GLU H A 17 ARG HBy 1.0 1.884 4.192 328 255 A 9 LYS HA A 9 LYS HGx 1.0 1.885 4.193 329 256 A 11 TYR HBx A 14 CYS H 1.0 1.886 4.204 330 257 A 25 VAL HA A 16 VAL HGx% 1.0 1.887 4.207 331 258 A 25 VAL HGx% A 16 VAL HGx% 1.0 1.886 4.208 332 259 A 21 PRO HDx A 22 ARG HG2 1.0 1.893 4.253 333 259 A 21 PRO HDx A 22 ARG HG3 1.0 1.893 4.253 334 260 A 20 DPR HBx A 20 DPR HDx 1.0 1.893 4.255 335 261 A 23 TYR HD1 A 7 LEU HDy% 1.0 1.894 4.266 336 261 A 23 TYR HD2 A 7 LEU HDy% 1.0 1.894 4.266 337 262 A 20 DPR HA A 22 ARG H 1.0 1.895 4.267 338 263 A 2 ASP HA A 2 ASP H 1.0 1.895 4.271 339 264 A 10 ARG HGx A 10 ARG HE 1.0 1.897 4.287 340 265 A 16 VAL HGx% A 8 LYS HG2 1.0 1.898 4.294 341 265 A 16 VAL HGx% A 8 LYS HG3 1.0 1.898 4.294 342 266 A 14 CYS HBy A 26 HIS H 1.0 1.898 4.302 343 267 A 11 TYR HD2 A 7 LEU HBx 1.0 1.899 4.305 344 267 A 11 TYR HD1 A 7 LEU HBx 1.0 1.899 4.305 345 268 A 16 VAL HGy% A 7 LEU HDy% 1.0 1.900 4.306 346 269 A 23 TYR HBy A 16 VAL HGx% 1.0 1.900 4.310 347 270 A 19 ASP HA A 19 ASP H 1.0 1.900 4.312 348 271 A 11 TYR HBx A 25 VAL HGx% 1.0 1.906 4.360 349 272 A 23 TYR HE2 A 21 PRO HA 1.0 1.907 4.367 350 272 A 23 TYR HE1 A 21 PRO HA 1.0 1.907 4.367 351 273 A 16 VAL HA A 25 VAL HGy% 1.0 1.908 4.370 352 274 A 26 HIS H A 25 VAL HGy% 1.0 1.908 4.372 353 275 A 11 TYR HE1 A 25 VAL HGx% 1.0 1.907 4.373 354 275 A 11 TYR HE2 A 25 VAL HGx% 1.0 1.907 4.373 355 276 A 15 GLU HA A 15 GLU HGx 1.0 1.909 4.383 356 277 A 15 GLU HA A 15 GLU HGy 1.0 1.911 4.397 357 278 A 25 VAL H A 16 VAL HA 1.0 1.911 4.397 358 279 A 23 TYR HBy A 7 LEU HDx% 1.0 1.911 4.401 359 280 A 8 LYS H A 5 LYS HA 1.0 1.913 4.415 360 281 A 16 VAL H A 16 VAL HGx% 1.0 1.913 4.419 361 282 A 23 TYR HD2 A 22 ARG HA 1.0 1.914 4.422 362 282 A 23 TYR HD1 A 22 ARG HA 1.0 1.914 4.422 363 283 A 8 LYS HG2 A 8 LYS H 1.0 1.914 4.432 364 283 A 8 LYS HG3 A 8 LYS H 1.0 1.914 4.432 365 284 A 3 LYS H A 2 ASP HBy 1.0 1.917 4.457 366 285 A 4 CYS HA A 7 LEU H 1.0 1.919 4.467 367 286 A 20 DPR HBx A 21 PRO HDx 1.0 1.919 4.469 368 287 A 9 LYS HA A 9 LYS HGy 1.0 1.920 4.480 369 288 A 16 VAL H A 15 GLU H 1.0 1.920 4.482 370 289 A 23 TYR HD2 A 24 GLU H 1.0 1.922 4.496 371 289 A 23 TYR HD1 A 24 GLU H 1.0 1.922 4.496 372 290 A 5 LYS H A 7 LEU H 1.0 1.922 4.496 373 291 A 5 LYS HA A 5 LYS HGx 1.0 1.926 4.532 374 292 A 3 LYS H A 3 LYS HGx 1.0 1.927 4.537 375 293 A 8 LYS HA A 11 TYR H 1.0 1.927 4.541 376 294 A 25 VAL H A 25 VAL HGx% 1.0 1.932 4.592 377 295 A 20 DPR HDy A 19 ASP H 1.0 1.934 4.608 378 296 A 7 LEU HDy% A 7 LEU HBx 1.0 1.934 4.618 379 297 A 24 GLU H A 16 VAL HGx% 1.0 1.938 4.654 380 298 A 23 TYR HD2 A 19 ASP H 1.0 1.939 4.665 381 298 A 23 TYR HD1 A 19 ASP H 1.0 1.939 4.665 382 299 A 23 TYR HE2 A 23 TYR HBy 1.0 1.940 4.670 383 299 A 23 TYR HE1 A 23 TYR HBy 1.0 1.940 4.670 384 300 A 15 GLU H A 26 HIS HBy 1.0 1.940 4.678 385 301 A 23 TYR HE2 A 23 TYR HBx 1.0 1.941 4.683 386 301 A 23 TYR HE1 A 23 TYR HBx 1.0 1.941 4.683 387 302 A 21 PRO HDy A 22 ARG H 1.0 1.942 4.694 388 303 A 23 TYR HBx A 7 LEU HDy% 1.0 1.942 4.698 389 304 A 10 ARG HGy A 10 ARG HE 1.0 1.944 4.722 390 305 A 4 CYS HA A 16 VAL HGx% 1.0 1.946 4.740 391 306 A 16 VAL HGy% A 8 LYS HB2 1.0 1.948 4.766 392 306 A 16 VAL HGy% A 8 LYS HB3 1.0 1.948 4.766 393 307 A 22 ARG HE A 22 ARG HG2 1.0 1.950 4.778 394 307 A 22 ARG HE A 22 ARG HG3 1.0 1.950 4.778 395 308 A 15 GLU H A 14 CYS H 1.0 1.950 4.788 396 309 A 10 ARG HE A 10 ARG HDx 1.0 1.950 4.788 397 310 A 26 HIS HBx A 26 HIS HD2 1.0 1.951 4.791 398 311 A 7 LEU HDy% A 10 ARG HBy 1.0 1.951 4.791 399 312 A 23 TYR HD2 A 4 CYS HA 1.0 1.951 4.791 400 312 A 23 TYR HD1 A 4 CYS HA 1.0 1.951 4.791 401 313 A 16 VAL HGx% A 8 LYS HA 1.0 1.951 4.799 402 314 A 17 ARG HA A 16 VAL HGx% 1.0 1.953 4.825 403 315 A 6 GLU H A 8 LYS H 1.0 1.957 4.867 404 316 A 7 LEU HA A 7 LEU HBx 1.0 1.957 4.867 405 317 A 3 LYS H A 3 LYS HGy 1.0 1.958 4.886 406 318 A 3 LYS H A 2 ASP H 1.0 1.961 4.919 407 319 A 23 TYR HD2 A 18 CYS HBx 1.0 1.961 4.921 408 319 A 23 TYR HD1 A 18 CYS HBx 1.0 1.961 4.921 409 320 A 16 VAL HGy% A 8 LYS HD3 1.0 1.962 4.926 410 320 A 16 VAL HGy% A 8 LYS HD2 1.0 1.962 4.926 411 321 A 26 HIS HA A 26 HIS HD2 1.0 1.964 4.954 412 322 A 7 LEU HDx% A 7 LEU H 1.0 1.965 4.983 413 323 A 23 TYR HBx A 16 VAL HGx% 1.0 1.967 5.015 414 324 A 27 CYS H A 25 VAL HGx% 1.0 1.968 5.020 415 325 A 7 LEU HDy% A 7 LEU H 1.0 1.968 5.028 416 326 A 26 HIS HA A 25 VAL HGx% 1.0 1.971 5.067 417 327 A 4 CYS H A 2 ASP HA 1.0 1.971 5.067 418 328 A 7 LEU HDy% A 10 ARG HDy 1.0 1.972 5.070 419 329 A 9 LYS H A 9 LYS HGx 1.0 1.972 5.092 420 330 A 11 TYR HE2 A 11 TYR HA 1.0 1.974 5.106 421 330 A 11 TYR HE1 A 11 TYR HA 1.0 1.974 5.106 422 331 A 16 VAL HGy% A 7 LEU HBx 1.0 1.979 5.195 423 332 A 23 TYR HE2 A 4 CYS H 1.0 1.983 5.283 424 332 A 23 TYR HE1 A 4 CYS H 1.0 1.983 5.283 425 333 A 16 VAL HGx% A 8 LYS H 1.0 1.984 5.300 426 334 A 9 LYS HA A 9 LYS HD2 1.0 1.986 5.338 427 334 A 9 LYS HA A 9 LYS HD3 1.0 1.986 5.338 428 335 A 17 ARG H A 25 VAL HGy% 1.0 1.986 5.364 429 336 A 26 HIS HD2 A 26 HIS HE1 1.0 1.987 5.379 430 337 A 16 VAL HGy% A 8 LYS H 1.0 1.988 5.402 431 338 A 11 TYR HE2 A 16 VAL HGy% 1.0 1.996 5.642 432 338 A 11 TYR HE1 A 16 VAL HGy% 1.0 1.996 5.642 433 339 A 25 VAL HGy% A 23 TYR HBx 1.0 1.996 5.662 434 340 A 26 HIS HA A 25 VAL HGy% 1.0 1.997 5.709 435 341 A 16 VAL HGx% A 7 LEU H 1.0 1.999 5.769 436 342 A 17 ARG HA A 16 VAL HGy% 1.0 2.000 6.136 437 343 A 22 ARG HE A 22 ARG HD2 1.0 1.998 6.236 438 343 A 22 ARG HE A 22 ARG HD3 1.0 1.998 6.236 439 344 A 4 CYS HB2 A 3 LYS H 1.0 1.998 6.244 440 344 A 4 CYS HB3 A 3 LYS H 1.0 1.998 6.244 441 345 A 10 ARG HA A 10 ARG HBx 1.0 1.555 2.671 442 345 A 3 LYS HB2 A 3 LYS HA 1.0 1.555 2.671 443 345 A 3 LYS HB3 A 3 LYS HA 1.0 1.555 2.671 444 346 A 8 LYS HB2 A 8 LYS H 1.0 1.574 2.734 445 346 A 8 LYS HB3 A 8 LYS H 1.0 1.574 2.734 446 346 A 7 LEU HBx A 8 LYS H 1.0 1.574 2.734 447 347 A 6 GLU HB2 A 6 GLU HA 1.0 1.580 2.754 448 347 A 6 GLU HB3 A 6 GLU HA 1.0 1.580 2.754 449 347 A 6 GLU HB2 A 3 LYS HA 1.0 1.580 2.754 450 347 A 6 GLU HB3 A 3 LYS HA 1.0 1.580 2.754 451 348 A 9 LYS HB2 A 9 LYS H 1.0 1.597 2.813 452 348 A 9 LYS HB3 A 9 LYS H 1.0 1.597 2.813 453 348 A 8 LYS HB2 A 9 LYS H 1.0 1.597 2.813 454 348 A 8 LYS HB3 A 9 LYS H 1.0 1.597 2.813 455 349 A 9 LYS HB2 A 6 GLU HA 1.0 1.620 2.890 456 349 A 9 LYS HB3 A 6 GLU HA 1.0 1.620 2.890 457 349 A 5 LYS HB2 A 6 GLU HA 1.0 1.620 2.890 458 349 A 5 LYS HB3 A 6 GLU HA 1.0 1.620 2.890 459 350 A 20 DPR HDy A 19 ASP HA 1.0 1.632 2.938 460 350 A 14 CYS HBx A 14 CYS HA 1.0 1.632 2.938 461 351 A 7 LEU HA A 7 LEU HBy 1.0 1.673 3.095 462 351 A 3 LYS HA A 3 LYS HGx 1.0 1.673 3.095 463 352 A 7 LEU H A 6 GLU HA 1.0 1.705 3.221 464 352 A 7 LEU HA A 7 LEU H 1.0 1.705 3.221 465 353 A 8 LYS HB2 A 5 LYS HA 1.0 1.713 3.257 466 353 A 8 LYS HB3 A 5 LYS HA 1.0 1.713 3.257 467 353 A 5 LYS HB2 A 5 LYS HA 1.0 1.713 3.257 468 353 A 5 LYS HB3 A 5 LYS HA 1.0 1.713 3.257 469 354 A 10 ARG HA A 10 ARG H 1.0 1.716 3.268 470 354 A 7 LEU HA A 10 ARG H 1.0 1.716 3.268 471 355 A 6 GLU H A 6 GLU HA 1.0 1.719 3.279 472 355 A 6 GLU H A 3 LYS HA 1.0 1.719 3.279 473 356 A 18 CYS H A 17 ARG HBx 1.0 1.753 3.437 474 356 A 17 ARG H A 17 ARG HBx 1.0 1.753 3.437 475 357 A 8 LYS HA A 9 LYS H 1.0 1.787 3.601 476 357 A 9 LYS H A 6 GLU HA 1.0 1.787 3.601 477 358 A 10 ARG HA A 10 ARG HBy 1.0 1.799 3.667 478 358 A 7 LEU HA A 10 ARG HBy 1.0 1.799 3.667 479 359 A 25 VAL HA A 16 VAL HGy% 1.0 1.810 3.722 480 359 A 15 GLU HA A 16 VAL HGy% 1.0 1.810 3.722 481 360 A 7 LEU HA A 8 LYS H 1.0 1.835 3.867 482 360 A 8 LYS H A 6 GLU HA 1.0 1.835 3.867 483 361 A 10 ARG HA A 11 TYR H 1.0 1.835 3.873 484 361 A 7 LEU HA A 11 TYR H 1.0 1.835 3.873 485 362 A 14 CYS HBy A 14 CYS H 1.0 1.856 3.998 486 362 A 11 TYR HBy A 14 CYS H 1.0 1.856 3.998 487 363 A 18 CYS H A 17 ARG HGx 1.0 1.857 4.003 488 363 A 17 ARG H A 17 ARG HGx 1.0 1.857 4.003 489 364 A 18 CYS H A 17 ARG HGy 1.0 1.870 4.092 490 364 A 17 ARG H A 17 ARG HGy 1.0 1.870 4.092 491 365 A 6 GLU HGx A 3 LYS HA 1.0 1.876 4.132 492 365 A 6 GLU HGx A 6 GLU HA 1.0 1.876 4.132 493 366 A 25 VAL HB A 16 VAL HGx% 1.0 1.886 4.204 494 366 A 16 VAL HGx% A 8 LYS HD2 1.0 1.886 4.204 495 366 A 16 VAL HGx% A 8 LYS HD3 1.0 1.886 4.204 496 367 A 24 GLU H A 17 ARG HBx 1.0 1.906 4.358 497 367 A 24 GLU H A 22 ARG HB2 1.0 1.906 4.358 498 367 A 24 GLU H A 22 ARG HB3 1.0 1.906 4.358 499 368 A 7 LEU HA A 7 LEU HDx% 1.0 1.923 4.505 500 368 A 7 LEU HDx% A 3 LYS HA 1.0 1.923 4.505 501 369 A 9 LYS H A 9 LYS HD2 1.0 1.925 4.527 502 369 A 9 LYS H A 9 LYS HD3 1.0 1.925 4.527 503 369 A 9 LYS H A 8 LYS HD2 1.0 1.925 4.527 504 369 A 9 LYS H A 8 LYS HD3 1.0 1.925 4.527 505 370 A 16 VAL HGy% A 8 LYS HD2 1.0 1.937 4.639 506 370 A 16 VAL HGy% A 25 VAL HB 1.0 1.937 4.639 507 370 A 16 VAL HGy% A 8 LYS HD3 1.0 1.937 4.639 508 371 A 15 GLU H A 26 HIS HBx 1.0 1.943 4.703 509 371 A 4 CYS HB2 A 3 LYS H 1.0 1.943 4.703 510 371 A 4 CYS HB3 A 3 LYS H 1.0 1.943 4.703 511 372 A 14 CYS HBy A 25 VAL HGy% 1.0 1.956 4.862 512 372 A 11 TYR HBy A 25 VAL HGy% 1.0 1.956 4.862 513 373 A 3 LYS H A 3 LYS HE2 1.0 1.966 4.978 514 373 A 3 LYS H A 3 LYS HE3 1.0 1.966 4.978 515 373 A 3 LYS H A 2 ASP HBx 1.0 1.966 4.978 516 374 A 23 TYR HE2 A 16 VAL HGx% 1.0 1.972 5.078 517 374 A 11 TYR HE1 A 16 VAL HGx% 1.0 1.972 5.078 518 374 A 11 TYR HE2 A 16 VAL HGx% 1.0 1.972 5.078 519 374 A 23 TYR HE1 A 16 VAL HGx% 1.0 1.972 5.078 520 375 A 25 VAL HGx% A 27 CYS HA 1.0 1.974 5.118 521 375 A 16 VAL HA A 25 VAL HGx% 1.0 1.974 5.118 522 376 A 20 DPR HA A 19 ASP H 1.0 1.993 5.517 523 376 A 17 ARG HA A 19 ASP H 1.0 1.993 5.517 524 377 A 16 VAL H A 25 VAL HGy% 1.0 1.999 5.833 525 377 A 24 GLU H A 25 VAL HGy% 1.0 1.999 5.833 526 378 A 16 VAL HGx% A 17 ARG HBx 1.0 2.000 5.934 527 378 A 16 VAL HGx% A 8 LYS HB2 1.0 2.000 5.934 528 378 A 16 VAL HGx% A 8 LYS HB3 1.0 2.000 5.934 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 6 GLU H A 2 ASP O 1.0 1.8 2.0 2 2 A 2 ASP O A 6 GLU N 1.0 2.7 3.1 3 3 A 7 LEU H A 3 LYS O 1.0 1.8 2.0 4 4 A 3 LYS O A 7 LEU N 1.0 2.7 3.1 5 5 A 8 LYS H A 4 CYS O 1.0 1.8 2.0 6 6 A 4 CYS O A 8 LYS N 1.0 2.7 3.1 7 7 A 9 LYS H A 5 LYS O 1.0 1.8 2.0 8 8 A 5 LYS O A 9 LYS N 1.0 2.7 3.1 9 9 A 10 ARG H A 6 GLU O 1.0 1.8 2.0 10 10 A 6 GLU O A 10 ARG N 1.0 2.7 3.1 11 11 A 11 TYR H A 7 LEU O 1.0 1.8 2.0 12 12 A 7 LEU O A 11 TYR N 1.0 2.7 3.1 13 13 A 14 CYS H A 11 TYR O 1.0 1.8 2.0 14 14 A 11 TYR O A 14 CYS N 1.0 2.7 3.1 15 15 A 22 ARG H A 19 ASP O 1.0 1.8 2.0 16 16 A 19 ASP O A 22 ARG N 1.0 2.7 3.1 17 17 A 19 ASP H A 22 ARG O 1.0 1.8 2.0 18 18 A 22 ARG O A 19 ASP N 1.0 2.7 3.1 19 19 A 24 GLU H A 17 ARG O 1.0 1.8 2.0 20 20 A 17 ARG O A 24 GLU N 1.0 2.7 3.1 21 21 A 17 ARG H A 24 GLU O 1.0 1.8 2.0 22 22 A 24 GLU O A 17 ARG N 1.0 2.7 3.1 23 23 A 26 HIS H A 15 GLU O 1.0 1.8 2.0 24 24 A 15 GLU O A 26 HIS N 1.0 2.7 3.1 25 25 A 15 GLU H A 26 HIS O 1.0 1.8 2.0 26 26 A 26 HIS O A 15 GLU 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 1 ASN C A 2 ASP N A 2 ASP CA A 2 ASP C 1.0 -90.0 -40.0 PHI 2 2 A 2 ASP C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -90.0 -40.0 PHI 3 3 A 3 LYS C A 4 CYS N A 4 CYS CA A 4 CYS C 1.0 -90.0 -40.0 PHI 4 4 A 4 CYS C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -90.0 -40.0 PHI 5 5 A 5 LYS C A 6 GLU N A 6 GLU CA A 6 GLU C 1.0 -90.0 -40.0 PHI 6 6 A 6 GLU C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -90.0 -40.0 PHI 7 7 A 7 LEU C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -90.0 -40.0 PHI 8 8 A 13 GLY C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -160.0 -80.0 PHI 9 9 A 14 CYS C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -160.0 -80.0 PHI 10 10 A 15 GLU C A 16 VAL N A 16 VAL CA A 16 VAL C 1.0 -160.0 -80.0 PHI 11 11 A 16 VAL C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -160.0 -80.0 PHI 12 12 A 17 ARG C A 18 CYS N A 18 CYS CA A 18 CYS C 1.0 -160.0 -80.0 PHI 13 13 A 21 PRO C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -160.0 -80.0 PHI 14 14 A 22 ARG C A 23 TYR N A 23 TYR CA A 23 TYR C 1.0 -160.0 -80.0 PHI 15 15 A 23 TYR C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -160.0 -80.0 PHI 16 16 A 25 VAL C A 26 HIS N A 26 HIS CA A 26 HIS C 1.0 -160.0 -80.0 PHI 17 17 A 26 HIS C A 27 CYS N A 27 CYS CA A 27 CYS C 1.0 -160.0 -80.0 PHI stop_ save_