data_nef_c30497_6e5i 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 6E5I 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 17 CYS SG 1 13 CYS SG 1 26 CYS SG 1 11 TYR C 1 12 ORN NE 1 12 ORN C 1 13 CYS N 1 18 ASP C 1 19 DPR N 1 19 DPR C 1 20 PRO N 1 26 CYS C 1 27 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 ORN middle -HE2,-OXT . 13 A 13 CYS middle -HG,-H2 . 14 A 14 GLU middle . . 15 A 15 VAL middle . . 16 A 16 ARG middle . . 17 A 17 CYS middle -HG . 18 A 18 ASP middle -OXT . 19 A 19 DPR middle -H,-OXT . 20 A 20 PRO middle -H false 21 A 21 ARG middle . . 22 A 22 TYR middle . . 23 A 23 GLU middle . . 24 A 24 VAL middle . . 25 A 25 HIS middle . . 26 A 26 CYS middle -HG,-OXT . 27 A 27 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 4.367 0.000 A 1 ASN HBy H 1 3.094 0.000 A 1 ASN HBx H 1 3.030 0.002 A 1 ASN HD2x H 1 7.072 0.000 A 1 ASN HD2y H 1 7.776 0.000 A 2 ASP H H 1 8.895 0.001 A 2 ASP HA H 1 4.751 0.000 A 2 ASP HBy H 1 2.926 0.000 A 2 ASP HBx H 1 2.842 0.000 A 3 LYS H H 1 8.470 0.001 A 3 LYS HA H 1 4.071 0.001 A 3 LYS HB2 H 1 1.788 0.001 A 3 LYS HB3 H 1 1.788 0.001 A 3 LYS HD2 H 1 1.600 0.000 A 3 LYS HD3 H 1 1.600 0.000 A 3 LYS HE2 H 1 2.845 0.001 A 3 LYS HE3 H 1 2.845 0.001 A 3 LYS HGy H 1 1.342 0.000 A 3 LYS HGx H 1 1.212 0.001 A 3 LYS HZ1 H 1 7.587 0.000 A 3 LYS HZ2 H 1 7.587 0.000 A 3 LYS HZ3 H 1 7.587 0.000 A 4 CYS H H 1 8.384 0.000 A 4 CYS HA H 1 4.201 0.001 A 4 CYS HB2 H 1 3.248 0.000 A 4 CYS HB3 H 1 3.248 0.000 A 5 LYS H H 1 7.869 0.001 A 5 LYS HA H 1 3.934 0.002 A 5 LYS HB2 H 1 1.867 0.001 A 5 LYS HB3 H 1 1.867 0.001 A 5 LYS HD2 H 1 1.710 0.000 A 5 LYS HD3 H 1 1.710 0.000 A 5 LYS HE2 H 1 3.001 0.000 A 5 LYS HE3 H 1 3.001 0.000 A 5 LYS HGy H 1 1.551 0.001 A 5 LYS HGx H 1 1.390 0.001 A 5 LYS HZ1 H 1 7.567 0.000 A 5 LYS HZ2 H 1 7.567 0.000 A 5 LYS HZ3 H 1 7.567 0.000 A 6 GLU H H 1 8.054 0.000 A 6 GLU HA H 1 4.101 0.001 A 6 GLU HB2 H 1 2.149 0.000 A 6 GLU HB3 H 1 2.149 0.000 A 6 GLU HGy H 1 2.541 0.000 A 6 GLU HGx H 1 2.456 0.000 A 7 LEU H H 1 8.262 0.000 A 7 LEU HA H 1 4.085 0.001 A 7 LEU HBy H 1 1.918 0.001 A 7 LEU HBx H 1 1.324 0.001 A 7 LEU HDx% H 1 0.483 0.001 A 7 LEU HDy% H 1 0.689 0.001 A 7 LEU HG H 1 1.648 0.000 A 8 LYS H H 1 8.271 0.000 A 8 LYS HA H 1 4.007 0.001 A 8 LYS HB2 H 1 1.879 0.000 A 8 LYS HB3 H 1 1.879 0.000 A 8 LYS HD2 H 1 1.686 0.000 A 8 LYS HD3 H 1 1.686 0.000 A 8 LYS HE2 H 1 3.047 0.002 A 8 LYS HE3 H 1 3.047 0.002 A 8 LYS HG2 H 1 1.474 0.001 A 8 LYS HG3 H 1 1.474 0.001 A 8 LYS HZ1 H 1 7.616 0.000 A 8 LYS HZ2 H 1 7.616 0.000 A 8 LYS HZ3 H 1 7.616 0.000 A 9 LYS H H 1 7.651 0.000 A 9 LYS HA H 1 4.151 0.001 A 9 LYS HBy H 1 1.905 0.000 A 9 LYS HBx H 1 1.878 0.000 A 9 LYS HD2 H 1 1.693 0.000 A 9 LYS HD3 H 1 1.693 0.000 A 9 LYS HE2 H 1 2.982 0.001 A 9 LYS HE3 H 1 2.982 0.001 A 9 LYS HGy H 1 1.503 0.000 A 9 LYS HGx H 1 1.407 0.000 A 9 LYS HZ1 H 1 7.567 0.000 A 9 LYS HZ2 H 1 7.567 0.000 A 9 LYS HZ3 H 1 7.567 0.000 A 10 ARG H H 1 8.078 0.000 A 10 ARG HA H 1 4.005 0.001 A 10 ARG HBy H 1 1.797 0.002 A 10 ARG HBx H 1 1.631 0.000 A 10 ARG HDy H 1 2.941 0.000 A 10 ARG HDx H 1 2.856 0.000 A 10 ARG HE H 1 7.011 0.001 A 10 ARG HGy H 1 1.295 0.000 A 10 ARG HGx H 1 1.023 0.000 A 11 TYR H H 1 8.052 0.000 A 11 TYR HA H 1 4.470 0.000 A 11 TYR HBy H 1 3.162 0.000 A 11 TYR HBx H 1 2.618 0.000 A 11 TYR HD1 H 1 7.256 0.000 A 11 TYR HD2 H 1 7.256 0.000 A 11 TYR HE1 H 1 6.783 0.000 A 11 TYR HE2 H 1 6.783 0.000 A 12 ORN HA H 1 4.454 0.000 A 12 ORN HBx H 1 1.858 0.000 A 12 ORN HBy H 1 1.938 0.000 A 12 ORN HDx H 1 3.266 0.001 A 12 ORN HDy H 1 3.491 0.001 A 12 ORN HE1 H 1 7.702 0.000 A 12 ORN HGx H 1 1.865 0.000 A 12 ORN HGy H 1 1.933 0.001 A 13 CYS H H 1 8.510 0.001 A 13 CYS HA H 1 4.919 0.000 A 13 CYS HBy H 1 3.184 0.000 A 13 CYS HBx H 1 2.675 0.000 A 14 GLU H H 1 8.287 0.001 A 14 GLU HA H 1 4.379 0.001 A 14 GLU HB2 H 1 2.202 0.001 A 14 GLU HB3 H 1 2.202 0.001 A 14 GLU HGy H 1 2.565 0.002 A 14 GLU HGx H 1 2.436 0.001 A 15 VAL H H 1 8.456 0.000 A 15 VAL HA H 1 4.763 0.000 A 15 VAL HB H 1 1.891 0.000 A 15 VAL HGx% H 1 0.818 0.000 A 15 VAL HGy% H 1 0.847 0.001 A 16 ARG H H 1 8.923 0.001 A 16 ARG HA H 1 4.682 0.000 A 16 ARG HBy H 1 1.833 0.001 A 16 ARG HBx H 1 1.720 0.001 A 16 ARG HD2 H 1 3.154 0.000 A 16 ARG HD3 H 1 3.154 0.000 A 16 ARG HE H 1 7.150 0.000 A 16 ARG HGy H 1 1.606 0.001 A 16 ARG HGx H 1 1.524 0.002 A 17 CYS H H 1 8.940 0.000 A 17 CYS HA H 1 4.796 0.000 A 17 CYS HBy H 1 3.680 0.001 A 17 CYS HBx H 1 3.097 0.000 A 18 ASP H H 1 8.657 0.001 A 18 ASP HA H 1 5.175 0.000 A 18 ASP HBy H 1 2.763 0.000 A 18 ASP HBx H 1 2.550 0.000 A 19 DPR HA H 1 4.731 0.001 A 19 DPR HBx H 1 1.946 0.001 A 19 DPR HBy H 1 2.339 0.001 A 19 DPR HDx H 1 3.492 0.001 A 19 DPR HDy H 1 3.899 0.001 A 19 DPR HGx H 1 2.043 0.000 A 19 DPR HGy H 1 2.186 0.002 A 20 PRO HA H 1 4.585 0.000 A 20 PRO HBy H 1 2.249 0.000 A 20 PRO HBx H 1 2.158 0.001 A 20 PRO HDy H 1 3.995 0.001 A 20 PRO HDx H 1 3.730 0.001 A 20 PRO HGy H 1 2.106 0.000 A 20 PRO HGx H 1 1.906 0.000 A 21 ARG H H 1 7.625 0.001 A 21 ARG HA H 1 4.499 0.001 A 21 ARG HB2 H 1 1.830 0.002 A 21 ARG HB3 H 1 1.830 0.002 A 21 ARG HD2 H 1 3.208 0.001 A 21 ARG HD3 H 1 3.208 0.001 A 21 ARG HE H 1 7.201 0.001 A 21 ARG HG2 H 1 1.585 0.002 A 21 ARG HG3 H 1 1.585 0.002 A 22 TYR H H 1 8.216 0.002 A 22 TYR HA H 1 5.207 0.000 A 22 TYR HBy H 1 2.802 0.000 A 22 TYR HBx H 1 2.738 0.000 A 22 TYR HD1 H 1 6.911 0.000 A 22 TYR HD2 H 1 6.911 0.000 A 22 TYR HE1 H 1 6.737 0.000 A 22 TYR HE2 H 1 6.737 0.000 A 23 GLU H H 1 8.728 0.001 A 23 GLU HA H 1 4.634 0.000 A 23 GLU HBy H 1 1.950 0.000 A 23 GLU HBx H 1 1.890 0.001 A 23 GLU HG2 H 1 2.329 0.000 A 23 GLU HG3 H 1 2.329 0.000 A 24 VAL H H 1 8.652 0.001 A 24 VAL HA H 1 4.664 0.001 A 24 VAL HB H 1 1.733 0.000 A 24 VAL HGx% H 1 0.482 0.001 A 24 VAL HGy% H 1 0.583 0.002 A 25 HIS H H 1 9.175 0.000 A 25 HIS HA H 1 4.993 0.003 A 25 HIS HBy H 1 3.251 0.000 A 25 HIS HBx H 1 3.091 0.000 A 25 HIS HD2 H 1 7.217 0.000 A 25 HIS HE1 H 1 8.614 0.000 A 26 CYS H H 1 9.177 0.000 A 26 CYS HA H 1 4.867 0.000 A 26 CYS HBy H 1 3.261 0.000 A 26 CYS HBx H 1 2.887 0.000 A 27 NH2 HNx H 1 7.219 0.000 A 27 NH2 HNy H 1 7.723 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 9 LYS H A 9 LYS HBy 1.0 1.563 2.699 2 1 A 9 LYS H A 8 LYS HB2 1.0 1.563 2.699 3 1 A 8 LYS HB3 A 9 LYS H 1.0 1.563 2.699 4 2 A 7 LEU HBx A 8 LYS H 1.0 1.610 2.858 5 2 A 7 LEU HBx A 7 LEU H 1.0 1.610 2.858 6 3 A 8 LYS H A 7 LEU HA 1.0 1.647 2.991 7 3 A 7 LEU H A 7 LEU HA 1.0 1.647 2.991 8 3 A 7 LEU H A 6 GLU HA 1.0 1.647 2.991 9 4 A 19 DPR HBx A 19 DPR HDx 1.0 1.653 3.017 10 4 A 12 ORN HDy A 12 ORN HGy 1.0 1.653 3.017 11 4 A 12 ORN HBy A 12 ORN HDy 1.0 1.653 3.017 12 5 A 12 ORN HGy A 12 ORN HDx 1.0 1.656 3.026 13 5 A 12 ORN HBy A 12 ORN HDx 1.0 1.656 3.026 14 6 A 7 LEU HA A 10 ARG HBy 1.0 1.675 3.099 15 6 A 7 LEU HA A 7 LEU HG 1.0 1.675 3.099 16 7 A 7 LEU HA A 7 LEU HBy 1.0 1.678 3.114 17 7 A 3 LYS HGx A 3 LYS HA 1.0 1.678 3.114 18 8 A 12 ORN HA A 12 ORN HGx 1.0 1.708 3.232 19 8 A 12 ORN HA A 12 ORN HBx 1.0 1.708 3.232 20 9 A 26 CYS HBx A 26 CYS H 1.0 1.712 3.252 21 9 A 25 HIS HBx A 25 HIS H 1.0 1.712 3.252 22 10 A 2 ASP HA A 3 LYS H 1.0 1.717 3.271 23 10 A 15 VAL HA A 15 VAL H 1.0 1.717 3.271 24 11 A 12 ORN HBy A 13 CYS H 1.0 1.751 3.423 25 11 A 12 ORN HGy A 13 CYS H 1.0 1.751 3.423 26 12 A 16 ARG HBx A 17 CYS H 1.0 1.758 3.458 27 12 A 16 ARG HBx A 16 ARG H 1.0 1.758 3.458 28 13 A 8 LYS H A 7 LEU HBy 1.0 1.768 3.506 29 13 A 7 LEU H A 7 LEU HBy 1.0 1.768 3.506 30 14 A 11 TYR H A 10 ARG HA 1.0 1.777 3.549 31 14 A 8 LYS HA A 11 TYR H 1.0 1.777 3.549 32 15 A 11 TYR HBx A 24 VAL HGx% 1.0 1.779 3.563 33 15 A 24 VAL HGx% A 13 CYS HBx 1.0 1.779 3.563 34 16 A 5 LYS HA A 8 LYS HD3 1.0 1.786 3.598 35 16 A 5 LYS HA A 8 LYS HD2 1.0 1.786 3.598 36 16 A 5 LYS HA A 5 LYS HD2 1.0 1.786 3.598 37 16 A 5 LYS HD3 A 5 LYS HA 1.0 1.786 3.598 38 17 A 16 ARG HA A 16 ARG HBy 1.0 1.789 3.613 39 17 A 24 VAL HA A 24 VAL HB 1.0 1.789 3.613 40 18 A 24 VAL HGx% A 15 VAL HGx% 1.0 1.790 3.616 41 18 A 15 VAL HGx% A 7 LEU HDx% 1.0 1.790 3.616 42 19 A 26 CYS H A 24 VAL HGx% 1.0 1.806 3.702 43 19 A 25 HIS H A 24 VAL HGx% 1.0 1.806 3.702 44 20 A 16 ARG H A 24 VAL HA 1.0 1.816 3.760 45 20 A 16 ARG H A 16 ARG HA 1.0 1.816 3.760 46 21 A 9 LYS H A 9 LYS HD2 1.0 1.833 3.853 47 21 A 9 LYS H A 9 LYS HD3 1.0 1.833 3.853 48 21 A 9 LYS H A 8 LYS HD2 1.0 1.833 3.853 49 21 A 9 LYS H A 8 LYS HD3 1.0 1.833 3.853 50 22 A 13 CYS HBx A 15 VAL HGx% 1.0 1.851 3.965 51 22 A 11 TYR HBx A 15 VAL HGx% 1.0 1.851 3.965 52 23 A 16 ARG H A 23 GLU HBy 1.0 1.867 4.067 53 23 A 16 ARG H A 15 VAL HB 1.0 1.867 4.067 54 24 A 9 LYS H A 7 LEU HA 1.0 1.867 4.075 55 24 A 9 LYS H A 6 GLU HA 1.0 1.867 4.075 56 25 A 15 VAL H A 14 GLU H 1.0 1.869 4.083 57 25 A 8 LYS H A 15 VAL H 1.0 1.869 4.083 58 26 A 8 LYS HB3 A 8 LYS HZ% 1.0 1.876 4.132 59 26 A 8 LYS HB2 A 8 LYS HZ% 1.0 1.876 4.132 60 26 A 20 PRO HGy A 21 ARG H 1.0 1.876 4.132 61 27 A 24 VAL HA A 15 VAL HGy% 1.0 1.879 4.151 62 27 A 16 ARG HA A 15 VAL HGy% 1.0 1.879 4.151 63 28 A 8 LYS H A 4 CYS HA 1.0 1.881 4.165 64 28 A 7 LEU H A 4 CYS HA 1.0 1.881 4.165 65 29 A 15 VAL HA A 16 ARG HBy 1.0 1.881 4.165 66 29 A 2 ASP HA A 5 LYS HD2 1.0 1.881 4.165 67 29 A 2 ASP HA A 5 LYS HD3 1.0 1.881 4.165 68 30 A 11 TYR H A 10 ARG HBx 1.0 1.889 4.225 69 30 A 6 GLU H A 3 LYS HB2 1.0 1.889 4.225 70 30 A 3 LYS HB3 A 6 GLU H 1.0 1.889 4.225 71 31 A 7 LEU H A 7 LEU HDx% 1.0 1.900 4.314 72 31 A 24 VAL HGx% A 14 GLU H 1.0 1.900 4.314 73 32 A 26 CYS H A 13 CYS HBy 1.0 1.901 4.321 74 32 A 25 HIS H A 13 CYS HBy 1.0 1.901 4.321 75 33 A 17 CYS H A 22 TYR HA 1.0 1.907 4.363 76 33 A 16 ARG H A 22 TYR HA 1.0 1.907 4.363 77 34 A 17 CYS H A 16 ARG HGy 1.0 1.912 4.408 78 34 A 16 ARG H A 16 ARG HGy 1.0 1.912 4.408 79 35 A 11 TYR H A 9 LYS HBx 1.0 1.925 4.523 80 35 A 7 LEU HBx A 11 TYR H 1.0 1.925 4.523 81 35 A 7 LEU HBx A 6 GLU H 1.0 1.925 4.523 82 36 A 23 GLU HG2 A 24 VAL H 1.0 1.926 4.532 83 36 A 23 GLU HG3 A 24 VAL H 1.0 1.926 4.532 84 36 A 18 ASP H A 23 GLU HG2 1.0 1.926 4.532 85 36 A 23 GLU HG3 A 18 ASP H 1.0 1.926 4.532 86 37 A 15 VAL HB A 14 GLU HA 1.0 1.930 4.572 87 37 A 8 LYS HB2 A 14 GLU HA 1.0 1.930 4.572 88 37 A 8 LYS HB3 A 14 GLU HA 1.0 1.930 4.572 89 38 A 23 GLU HBy A 24 VAL H 1.0 1.933 4.597 90 38 A 15 VAL HB A 24 VAL H 1.0 1.933 4.597 91 39 A 25 HIS HBx A 14 GLU H 1.0 1.936 4.632 92 39 A 26 CYS HBx A 14 GLU H 1.0 1.936 4.632 93 39 A 8 LYS H A 4 CYS HB2 1.0 1.936 4.632 94 39 A 8 LYS H A 4 CYS HB3 1.0 1.936 4.632 95 40 A 3 LYS HB2 A 3 LYS HE3 1.0 1.936 4.632 96 40 A 10 ARG HBx A 10 ARG HDy 1.0 1.936 4.632 97 40 A 3 LYS HB2 A 3 LYS HE2 1.0 1.936 4.632 98 40 A 3 LYS HB3 A 3 LYS HE2 1.0 1.936 4.632 99 40 A 3 LYS HB3 A 3 LYS HE3 1.0 1.936 4.632 100 41 A 9 LYS H A 11 TYR H 1.0 1.937 4.641 101 41 A 9 LYS H A 6 GLU H 1.0 1.937 4.641 102 42 A 24 VAL HA A 23 GLU HBy 1.0 1.938 4.650 103 42 A 24 VAL HA A 15 VAL HB 1.0 1.938 4.650 104 43 A 8 LYS H A 15 VAL HGx% 1.0 1.940 4.668 105 43 A 15 VAL HGx% A 14 GLU H 1.0 1.940 4.668 106 44 A 23 GLU H A 17 CYS HA 1.0 1.946 4.736 107 44 A 15 VAL HA A 23 GLU H 1.0 1.946 4.736 108 45 A 7 LEU H A 7 LEU HDy% 1.0 1.946 4.746 109 45 A 8 LYS H A 7 LEU HDy% 1.0 1.946 4.746 110 46 A 13 CYS HBx A 24 VAL HGy% 1.0 1.947 4.747 111 46 A 11 TYR HBx A 24 VAL HGy% 1.0 1.947 4.747 112 47 A 23 GLU H A 21 ARG HB2 1.0 1.949 4.773 113 47 A 23 GLU H A 21 ARG HB3 1.0 1.949 4.773 114 47 A 16 ARG HBx A 23 GLU H 1.0 1.949 4.773 115 48 A 16 ARG H A 24 VAL H 1.0 1.949 4.773 116 48 A 17 CYS H A 18 ASP H 1.0 1.949 4.773 117 49 A 12 ORN HDx A 11 TYR H 1.0 1.952 4.814 118 49 A 6 GLU H A 4 CYS HB2 1.0 1.952 4.814 119 49 A 6 GLU H A 4 CYS HB3 1.0 1.952 4.814 120 50 A 26 CYS H A 24 VAL HB 1.0 1.953 4.829 121 50 A 25 HIS H A 24 VAL HB 1.0 1.953 4.829 122 51 A 8 LYS H A 15 VAL HGy% 1.0 1.958 4.880 123 51 A 7 LEU H A 15 VAL HGy% 1.0 1.958 4.880 124 52 A 7 LEU HBy A 4 CYS HA 1.0 1.958 4.890 125 52 A 3 LYS HGx A 4 CYS HA 1.0 1.958 4.890 126 53 A 11 TYR H A 10 ARG HGx 1.0 1.961 4.919 127 53 A 7 LEU HBy A 11 TYR H 1.0 1.961 4.919 128 54 A 8 LYS H A 5 LYS H 1.0 1.967 5.017 129 54 A 7 LEU H A 5 LYS H 1.0 1.967 5.017 130 55 A 15 VAL HGx% A 11 TYR HE2 1.0 1.970 5.048 131 55 A 15 VAL HGy% A 11 TYR HE1 1.0 1.970 5.048 132 55 A 15 VAL HGx% A 11 TYR HE1 1.0 1.970 5.048 133 55 A 15 VAL HGy% A 11 TYR HE2 1.0 1.970 5.048 134 56 A 26 CYS H A 13 CYS HBx 1.0 1.971 5.057 135 56 A 25 HIS H A 13 CYS HBx 1.0 1.971 5.057 136 57 A 25 HIS HBx A 15 VAL H 1.0 1.973 5.109 137 57 A 3 LYS H A 4 CYS HB2 1.0 1.973 5.109 138 57 A 3 LYS H A 4 CYS HB3 1.0 1.973 5.109 139 58 A 7 LEU HA A 10 ARG HDy 1.0 1.976 5.148 140 58 A 3 LYS HA A 3 LYS HE2 1.0 1.976 5.148 141 58 A 3 LYS HA A 3 LYS HE3 1.0 1.976 5.148 142 59 A 15 VAL HGy% A 16 ARG HD3 1.0 1.989 5.399 143 59 A 11 TYR HBx A 15 VAL HGy% 1.0 1.989 5.399 144 59 A 15 VAL HGy% A 16 ARG HD2 1.0 1.989 5.399 145 60 A 17 CYS H A 16 ARG HD3 1.0 1.988 5.408 146 60 A 17 CYS H A 16 ARG HD2 1.0 1.988 5.408 147 60 A 16 ARG H A 16 ARG HD2 1.0 1.988 5.408 148 60 A 16 ARG H A 16 ARG HD3 1.0 1.988 5.408 149 61 A 7 LEU HA A 7 LEU HDx% 1.0 1.991 5.471 150 61 A 3 LYS HA A 7 LEU HDx% 1.0 1.991 5.471 151 62 A 6 GLU HA A 5 LYS HGy 1.0 1.996 5.652 152 62 A 6 GLU HA A 9 LYS HGy 1.0 1.996 5.652 153 63 A 9 LYS HA A 10 ARG H 1.0 1.997 5.681 154 63 A 11 TYR H A 9 LYS HA 1.0 1.997 5.681 155 64 A 7 LEU H A 10 ARG HBx 1.0 1.997 5.697 156 64 A 8 LYS H A 10 ARG HBx 1.0 1.997 5.697 157 64 A 7 LEU H A 3 LYS HB2 1.0 1.997 5.697 158 64 A 7 LEU H A 3 LYS HB3 1.0 1.997 5.697 159 65 A 15 VAL HGy% A 24 VAL H 1.0 1.999 5.821 160 65 A 15 VAL HGy% A 18 ASP H 1.0 1.999 5.821 161 66 A 8 LYS HB3 A 11 TYR HD2 1.0 2.000 5.892 162 66 A 12 ORN HGx A 11 TYR HD1 1.0 2.000 5.892 163 66 A 8 LYS HB3 A 11 TYR HD1 1.0 2.000 5.892 164 66 A 8 LYS HB2 A 11 TYR HD2 1.0 2.000 5.892 165 66 A 9 LYS HBy A 11 TYR HD1 1.0 2.000 5.892 166 66 A 8 LYS HB2 A 11 TYR HD1 1.0 2.000 5.892 167 66 A 12 ORN HGx A 11 TYR HD2 1.0 2.000 5.892 168 66 A 9 LYS HBy A 11 TYR HD2 1.0 2.000 5.892 169 67 A 10 ARG HA A 9 LYS HGy 1.0 2.000 5.950 170 67 A 8 LYS HA A 9 LYS HGy 1.0 2.000 5.950 171 68 A 10 ARG HBx A 7 LEU HDy% 1.0 1.999 5.965 172 68 A 3 LYS HB2 A 7 LEU HDy% 1.0 1.999 5.965 173 68 A 3 LYS HB3 A 7 LEU HDy% 1.0 1.999 5.965 174 69 A 16 ARG HA A 23 GLU H 1.0 2.000 6.012 175 69 A 24 VAL HA A 23 GLU H 1.0 2.000 6.012 176 70 A 21 ARG H A 18 ASP HBy 1.0 2.000 6.026 177 70 A 8 LYS HZ% A 14 GLU HGx 1.0 2.000 6.026 178 71 A 8 LYS H A 11 TYR HD1 1.0 1.989 6.605 179 71 A 8 LYS H A 11 TYR HD2 1.0 1.989 6.605 180 71 A 7 LEU H A 11 TYR HD2 1.0 1.989 6.605 181 71 A 7 LEU H A 11 TYR HD1 1.0 1.989 6.605 182 72 A 17 CYS H A 22 TYR HD1 1.0 1.973 6.959 183 72 A 17 CYS H A 22 TYR HD2 1.0 1.973 6.959 184 72 A 16 ARG H A 22 TYR HD2 1.0 1.973 6.959 185 72 A 16 ARG H A 22 TYR HD1 1.0 1.973 6.959 186 73 A 25 HIS HBx A 25 HIS HBy 1.0 1.332 2.044 187 74 A 18 ASP HBy A 18 ASP HBx 1.0 1.384 2.176 188 75 A 22 TYR HD1 A 22 TYR HE2 1.0 1.397 2.211 189 75 A 22 TYR HD2 A 22 TYR HE2 1.0 1.397 2.211 190 75 A 22 TYR HD2 A 22 TYR HE1 1.0 1.397 2.211 191 75 A 22 TYR HD1 A 22 TYR HE1 1.0 1.397 2.211 192 76 A 11 TYR HBx A 11 TYR HBy 1.0 1.398 2.214 193 77 A 13 CYS HBx A 13 CYS HBy 1.0 1.403 2.225 194 78 A 26 CYS HBx A 26 CYS HBy 1.0 1.403 2.227 195 79 A 12 ORN HDy A 12 ORN HDx 1.0 1.404 2.228 196 80 A 1 ASN HD2x A 1 ASN HD2y 1.0 1.411 2.249 197 81 A 17 CYS HBy A 17 CYS HBx 1.0 1.421 2.275 198 82 A 20 PRO HDy A 20 PRO HDx 1.0 1.434 2.310 199 83 A 19 DPR HDx A 19 DPR HDy 1.0 1.441 2.329 200 84 A 11 TYR HE2 A 11 TYR HD2 1.0 1.501 2.503 201 84 A 11 TYR HE2 A 11 TYR HD1 1.0 1.501 2.503 202 84 A 11 TYR HE1 A 11 TYR HD2 1.0 1.501 2.503 203 84 A 11 TYR HE1 A 11 TYR HD1 1.0 1.501 2.503 204 85 A 17 CYS H A 16 ARG HA 1.0 1.527 2.581 205 86 A 26 CYS H A 25 HIS HA 1.0 1.529 2.587 206 87 A 15 VAL H A 14 GLU HA 1.0 1.532 2.598 207 88 A 24 VAL H A 23 GLU HA 1.0 1.544 2.634 208 89 A 25 HIS H A 24 VAL HA 1.0 1.548 2.650 209 90 A 24 VAL HGx% A 24 VAL HGy% 1.0 1.557 2.677 210 91 A 15 VAL HA A 16 ARG H 1.0 1.561 2.691 211 92 A 22 TYR HA A 23 GLU H 1.0 1.571 2.725 212 93 A 10 ARG HGx A 10 ARG HGy 1.0 1.572 2.728 213 94 A 21 ARG HA A 22 TYR H 1.0 1.575 2.737 214 95 A 19 DPR HDy A 18 ASP HA 1.0 1.578 2.748 215 96 A 4 CYS HB2 A 4 CYS H 1.0 1.595 2.805 216 96 A 4 CYS HB3 A 4 CYS H 1.0 1.595 2.805 217 97 A 20 PRO HDx A 19 DPR HA 1.0 1.598 2.814 218 98 A 3 LYS HA A 3 LYS HB2 1.0 1.611 2.863 219 98 A 3 LYS HA A 3 LYS HB3 1.0 1.611 2.863 220 99 A 12 ORN HDy A 12 ORN HA 1.0 1.613 2.869 221 100 A 20 PRO HDy A 19 DPR HA 1.0 1.622 2.900 222 101 A 8 LYS HB2 A 8 LYS H 1.0 1.627 2.917 223 101 A 8 LYS HB3 A 8 LYS H 1.0 1.627 2.917 224 102 A 12 ORN HDx A 12 ORN HGx 1.0 1.640 2.966 225 103 A 3 LYS H A 3 LYS HB2 1.0 1.641 2.969 226 103 A 3 LYS H A 3 LYS HB3 1.0 1.641 2.969 227 104 A 11 TYR HD2 A 11 TYR HBy 1.0 1.644 2.982 228 104 A 11 TYR HD1 A 11 TYR HBy 1.0 1.644 2.982 229 105 A 12 ORN HA A 13 CYS H 1.0 1.644 2.982 230 106 A 14 GLU H A 13 CYS HA 1.0 1.644 2.982 231 107 A 22 TYR HD2 A 22 TYR HBy 1.0 1.645 2.985 232 107 A 22 TYR HD1 A 22 TYR HBy 1.0 1.645 2.985 233 108 A 22 TYR HD2 A 22 TYR HBx 1.0 1.647 2.991 234 108 A 22 TYR HD1 A 22 TYR HBx 1.0 1.647 2.991 235 109 A 5 LYS H A 5 LYS HB2 1.0 1.649 2.999 236 109 A 5 LYS H A 5 LYS HB3 1.0 1.649 2.999 237 110 A 6 GLU H A 6 GLU HB2 1.0 1.650 3.004 238 110 A 6 GLU H A 6 GLU HB3 1.0 1.650 3.004 239 111 A 19 DPR HA A 19 DPR HBy 1.0 1.653 3.015 240 112 A 11 TYR HBx A 11 TYR HD2 1.0 1.661 3.043 241 112 A 11 TYR HBx A 11 TYR HD1 1.0 1.661 3.043 242 113 A 7 LEU HDx% A 7 LEU HDy% 1.0 1.663 3.051 243 114 A 21 ARG HB2 A 21 ARG HA 1.0 1.662 3.052 244 114 A 21 ARG HB3 A 21 ARG HA 1.0 1.662 3.052 245 115 A 20 PRO HA A 20 PRO HBx 1.0 1.664 3.056 246 116 A 14 GLU H A 14 GLU HB2 1.0 1.666 3.066 247 116 A 14 GLU H A 14 GLU HB3 1.0 1.666 3.066 248 117 A 11 TYR H A 11 TYR HBy 1.0 1.667 3.069 249 118 A 24 VAL HGx% A 24 VAL HB 1.0 1.671 3.083 250 119 A 21 ARG H A 21 ARG HB2 1.0 1.675 3.103 251 119 A 21 ARG H A 21 ARG HB3 1.0 1.675 3.103 252 120 A 14 GLU HA A 14 GLU HB2 1.0 1.678 3.112 253 120 A 14 GLU HA A 14 GLU HB3 1.0 1.678 3.112 254 121 A 24 VAL HB A 24 VAL HGy% 1.0 1.679 3.117 255 122 A 13 CYS H A 13 CYS HBx 1.0 1.685 3.143 256 123 A 10 ARG HA A 10 ARG HBx 1.0 1.685 3.143 257 124 A 15 VAL H A 15 VAL HB 1.0 1.687 3.147 258 125 A 4 CYS HA A 4 CYS HB2 1.0 1.692 3.170 259 125 A 4 CYS HA A 4 CYS HB3 1.0 1.692 3.170 260 126 A 13 CYS HBy A 13 CYS HA 1.0 1.693 3.175 261 127 A 11 TYR HBx A 11 TYR HA 1.0 1.696 3.184 262 128 A 11 TYR HD2 A 11 TYR HA 1.0 1.696 3.186 263 128 A 11 TYR HD1 A 11 TYR HA 1.0 1.696 3.186 264 129 A 19 DPR HDx A 18 ASP HA 1.0 1.699 3.199 265 130 A 7 LEU H A 7 LEU HG 1.0 1.700 3.202 266 131 A 12 ORN HGx A 13 CYS H 1.0 1.701 3.207 267 132 A 24 VAL HB A 24 VAL H 1.0 1.703 3.211 268 133 A 6 GLU HA A 6 GLU H 1.0 1.703 3.217 269 134 A 12 ORN HDy A 12 ORN HGx 1.0 1.704 3.220 270 135 A 26 CYS H A 26 CYS HBy 1.0 1.707 3.233 271 136 A 7 LEU HA A 7 LEU HDy% 1.0 1.708 3.236 272 137 A 3 LYS H A 4 CYS H 1.0 1.709 3.237 273 138 A 17 CYS H A 17 CYS HBy 1.0 1.711 3.249 274 139 A 12 ORN HBy A 12 ORN HA 1.0 1.713 3.255 275 140 A 10 ARG HBx A 10 ARG H 1.0 1.713 3.257 276 141 A 7 LEU HG A 7 LEU HDy% 1.0 1.716 3.268 277 142 A 10 ARG HBy A 10 ARG H 1.0 1.717 3.277 278 143 A 19 DPR HDy A 19 DPR HGx 1.0 1.719 3.281 279 144 A 26 CYS HBx A 26 CYS HA 1.0 1.720 3.288 280 145 A 20 PRO HA A 20 PRO HBy 1.0 1.720 3.290 281 146 A 4 CYS HB2 A 5 LYS H 1.0 1.720 3.290 282 146 A 4 CYS HB3 A 5 LYS H 1.0 1.720 3.290 283 147 A 19 DPR HDx A 19 DPR HGy 1.0 1.723 3.297 284 148 A 7 LEU H A 6 GLU H 1.0 1.722 3.298 285 149 A 24 VAL HA A 24 VAL HGy% 1.0 1.729 3.323 286 150 A 16 ARG HBx A 16 ARG HA 1.0 1.730 3.328 287 151 A 15 VAL HA A 15 VAL HB 1.0 1.732 3.338 288 152 A 20 PRO HDy A 20 PRO HGx 1.0 1.736 3.358 289 153 A 7 LEU HG A 7 LEU HDx% 1.0 1.736 3.358 290 154 A 15 VAL HA A 15 VAL HGy% 1.0 1.736 3.360 291 155 A 15 VAL HA A 15 VAL HGx% 1.0 1.737 3.363 292 156 A 25 HIS HBx A 25 HIS HA 1.0 1.737 3.365 293 157 A 18 ASP H A 17 CYS HA 1.0 1.740 3.376 294 158 A 7 LEU HBy A 15 VAL HGy% 1.0 1.742 3.384 295 159 A 7 LEU HDy% A 11 TYR HE2 1.0 1.742 3.386 296 159 A 7 LEU HDy% A 11 TYR HE1 1.0 1.742 3.386 297 160 A 25 HIS HBy A 25 HIS HA 1.0 1.742 3.386 298 161 A 8 LYS HA A 8 LYS HG2 1.0 1.743 3.391 299 161 A 8 LYS HA A 8 LYS HG3 1.0 1.743 3.391 300 162 A 20 PRO HDx A 20 PRO HGx 1.0 1.747 3.409 301 163 A 16 ARG H A 16 ARG HBy 1.0 1.747 3.411 302 164 A 14 GLU H A 13 CYS HBy 1.0 1.750 3.418 303 165 A 2 ASP HA A 2 ASP HBx 1.0 1.750 3.422 304 166 A 8 LYS HA A 15 VAL HGx% 1.0 1.750 3.424 305 167 A 1 ASN HA A 2 ASP H 1.0 1.751 3.425 306 168 A 7 LEU H A 6 GLU HB2 1.0 1.753 3.437 307 168 A 7 LEU H A 6 GLU HB3 1.0 1.753 3.437 308 169 A 13 CYS HBy A 26 CYS HA 1.0 1.754 3.440 309 170 A 8 LYS HA A 8 LYS HD2 1.0 1.754 3.440 310 170 A 8 LYS HA A 8 LYS HD3 1.0 1.754 3.440 311 171 A 23 GLU HA A 23 GLU HBx 1.0 1.757 3.455 312 172 A 7 LEU HBx A 7 LEU HDx% 1.0 1.761 3.473 313 173 A 15 VAL HGx% A 24 VAL HGy% 1.0 1.762 3.478 314 174 A 21 ARG HA A 21 ARG HG2 1.0 1.765 3.495 315 174 A 21 ARG HA A 21 ARG HG3 1.0 1.765 3.495 316 175 A 7 LEU HDy% A 24 VAL HGy% 1.0 1.765 3.497 317 176 A 19 DPR HDx A 19 DPR HGx 1.0 1.767 3.503 318 177 A 7 LEU HBy A 7 LEU HDx% 1.0 1.768 3.504 319 178 A 16 ARG HA A 16 ARG HBy 1.0 1.769 3.511 320 179 A 18 ASP H A 18 ASP HBx 1.0 1.769 3.513 321 180 A 9 LYS H A 10 ARG H 1.0 1.770 3.518 322 181 A 6 GLU H A 5 LYS H 1.0 1.771 3.521 323 182 A 9 LYS H A 8 LYS H 1.0 1.771 3.525 324 183 A 24 VAL HGx% A 24 VAL HA 1.0 1.771 3.525 325 184 A 10 ARG HBy A 11 TYR H 1.0 1.773 3.529 326 185 A 25 HIS HBx A 14 GLU HB2 1.0 1.774 3.534 327 185 A 25 HIS HBx A 14 GLU HB3 1.0 1.774 3.534 328 186 A 21 ARG HB2 A 22 TYR H 1.0 1.774 3.538 329 186 A 21 ARG HB3 A 22 TYR H 1.0 1.774 3.538 330 187 A 8 LYS H A 8 LYS HA 1.0 1.775 3.543 331 188 A 10 ARG HBy A 10 ARG HA 1.0 1.777 3.553 332 189 A 12 ORN HDx A 12 ORN HA 1.0 1.778 3.558 333 190 A 10 ARG HA A 10 ARG H 1.0 1.778 3.558 334 191 A 15 VAL HGx% A 11 TYR HBy 1.0 1.779 3.561 335 192 A 6 GLU H A 5 LYS HB2 1.0 1.780 3.568 336 192 A 6 GLU H A 5 LYS HB3 1.0 1.780 3.568 337 193 A 19 DPR HDy A 19 DPR HGy 1.0 1.781 3.571 338 194 A 7 LEU HBy A 7 LEU HDy% 1.0 1.784 3.586 339 195 A 23 GLU HBy A 23 GLU HA 1.0 1.784 3.590 340 196 A 4 CYS HA A 4 CYS H 1.0 1.785 3.591 341 197 A 23 GLU H A 22 TYR HBy 1.0 1.786 3.594 342 198 A 25 HIS H A 25 HIS HBy 1.0 1.788 3.608 343 199 A 19 DPR HBx A 19 DPR HA 1.0 1.791 3.621 344 200 A 16 ARG H A 23 GLU H 1.0 1.791 3.623 345 201 A 9 LYS HBy A 10 ARG H 1.0 1.791 3.625 346 202 A 24 VAL HA A 24 VAL H 1.0 1.791 3.627 347 203 A 16 ARG H A 15 VAL HGy% 1.0 1.791 3.627 348 204 A 11 TYR HBy A 11 TYR HA 1.0 1.793 3.633 349 205 A 5 LYS HA A 5 LYS H 1.0 1.794 3.638 350 206 A 24 VAL H A 24 VAL HGy% 1.0 1.794 3.638 351 207 A 5 LYS H A 4 CYS H 1.0 1.797 3.655 352 208 A 21 ARG H A 21 ARG HA 1.0 1.798 3.662 353 209 A 23 GLU HBy A 23 GLU H 1.0 1.800 3.672 354 210 A 3 LYS HA A 3 LYS H 1.0 1.801 3.673 355 211 A 2 ASP HA A 2 ASP HBy 1.0 1.801 3.675 356 212 A 4 CYS HB2 A 22 TYR HE1 1.0 1.802 3.678 357 212 A 4 CYS HB2 A 22 TYR HE2 1.0 1.802 3.678 358 212 A 4 CYS HB3 A 22 TYR HE2 1.0 1.802 3.678 359 212 A 4 CYS HB3 A 22 TYR HE1 1.0 1.802 3.678 360 213 A 23 GLU H A 23 GLU HA 1.0 1.802 3.680 361 214 A 21 ARG HB2 A 18 ASP HBx 1.0 1.803 3.683 362 214 A 21 ARG HB3 A 18 ASP HBx 1.0 1.803 3.683 363 215 A 24 VAL HGx% A 13 CYS HBy 1.0 1.805 3.695 364 216 A 9 LYS H A 9 LYS HA 1.0 1.805 3.695 365 217 A 26 CYS H A 26 CYS HA 1.0 1.806 3.702 366 218 A 3 LYS HB2 A 4 CYS H 1.0 1.807 3.707 367 218 A 3 LYS HB3 A 4 CYS H 1.0 1.807 3.707 368 219 A 11 TYR H A 11 TYR HA 1.0 1.807 3.709 369 220 A 21 ARG H A 21 ARG HG2 1.0 1.807 3.709 370 220 A 21 ARG H A 21 ARG HG3 1.0 1.807 3.709 371 221 A 22 TYR HA A 22 TYR HD2 1.0 1.810 3.724 372 221 A 22 TYR HA A 22 TYR HD1 1.0 1.810 3.724 373 222 A 11 TYR H A 11 TYR HD2 1.0 1.813 3.741 374 222 A 11 TYR H A 11 TYR HD1 1.0 1.813 3.741 375 223 A 22 TYR HD2 A 22 TYR H 1.0 1.814 3.746 376 223 A 22 TYR HD1 A 22 TYR H 1.0 1.814 3.746 377 224 A 22 TYR HA A 18 ASP H 1.0 1.815 3.749 378 225 A 14 GLU H A 14 GLU HA 1.0 1.815 3.751 379 226 A 14 GLU HB2 A 25 HIS HBy 1.0 1.816 3.754 380 226 A 14 GLU HB3 A 25 HIS HBy 1.0 1.816 3.754 381 227 A 22 TYR H A 22 TYR HBy 1.0 1.819 3.775 382 228 A 26 CYS HBy A 26 CYS HA 1.0 1.819 3.775 383 229 A 17 CYS HA A 17 CYS HBy 1.0 1.820 3.784 384 230 A 23 GLU HG2 A 23 GLU HA 1.0 1.821 3.787 385 230 A 23 GLU HG3 A 23 GLU HA 1.0 1.821 3.787 386 231 A 13 CYS HBx A 13 CYS HA 1.0 1.822 3.792 387 232 A 15 VAL HGx% A 11 TYR HD1 1.0 1.824 3.804 388 232 A 15 VAL HGx% A 11 TYR HD2 1.0 1.824 3.804 389 233 A 11 TYR H A 11 TYR HBx 1.0 1.825 3.809 390 234 A 21 ARG H A 20 PRO HDx 1.0 1.826 3.812 391 235 A 10 ARG HA A 10 ARG HGx 1.0 1.826 3.818 392 236 A 13 CYS H A 13 CYS HA 1.0 1.829 3.835 393 237 A 22 TYR HA A 22 TYR H 1.0 1.829 3.835 394 238 A 2 ASP H A 2 ASP HBy 1.0 1.832 3.850 395 239 A 7 LEU HDx% A 22 TYR HD2 1.0 1.832 3.850 396 239 A 7 LEU HDx% A 22 TYR HD1 1.0 1.832 3.850 397 240 A 15 VAL H A 15 VAL HGx% 1.0 1.834 3.862 398 241 A 1 ASN HA A 1 ASN HBy 1.0 1.836 3.872 399 242 A 15 VAL HGy% A 24 VAL HGy% 1.0 1.836 3.872 400 243 A 14 GLU H A 26 CYS HA 1.0 1.836 3.872 401 244 A 2 ASP H A 1 ASN HBx 1.0 1.837 3.875 402 245 A 18 ASP H A 18 ASP HBy 1.0 1.837 3.875 403 246 A 7 LEU HBy A 11 TYR HD2 1.0 1.839 3.891 404 246 A 7 LEU HBy A 11 TYR HD1 1.0 1.839 3.891 405 247 A 1 ASN HA A 1 ASN HBx 1.0 1.842 3.910 406 248 A 19 DPR HDx A 17 CYS HBx 1.0 1.842 3.914 407 249 A 9 LYS HA A 10 ARG H 1.0 1.843 3.917 408 250 A 23 GLU H A 22 TYR HBx 1.0 1.844 3.920 409 251 A 9 LYS H A 8 LYS HA 1.0 1.845 3.931 410 252 A 5 LYS HA A 6 GLU H 1.0 1.847 3.941 411 253 A 3 LYS HA A 4 CYS H 1.0 1.848 3.944 412 254 A 24 VAL HGx% A 11 TYR HD1 1.0 1.850 3.958 413 254 A 24 VAL HGx% A 11 TYR HD2 1.0 1.850 3.958 414 255 A 4 CYS HA A 5 LYS H 1.0 1.850 3.958 415 256 A 15 VAL HGy% A 22 TYR HD1 1.0 1.851 3.965 416 256 A 15 VAL HGy% A 22 TYR HD2 1.0 1.851 3.965 417 257 A 2 ASP HBx A 2 ASP H 1.0 1.853 3.981 418 258 A 18 ASP H A 18 ASP HA 1.0 1.854 3.984 419 259 A 7 LEU HDx% A 22 TYR HBx 1.0 1.854 3.988 420 260 A 25 HIS H A 15 VAL HA 1.0 1.854 3.988 421 261 A 16 ARG HA A 16 ARG HGx 1.0 1.855 3.991 422 262 A 6 GLU H A 6 GLU HGx 1.0 1.857 4.007 423 263 A 20 PRO HDy A 20 PRO HBx 1.0 1.858 4.010 424 264 A 15 VAL H A 14 GLU HB2 1.0 1.859 4.015 425 264 A 15 VAL H A 14 GLU HB3 1.0 1.859 4.015 426 265 A 10 ARG HBy A 11 TYR HD2 1.0 1.860 4.022 427 265 A 10 ARG HBy A 11 TYR HD1 1.0 1.860 4.022 428 266 A 6 GLU HA A 6 GLU HGy 1.0 1.860 4.026 429 267 A 7 LEU HDx% A 15 VAL HGy% 1.0 1.862 4.038 430 268 A 15 VAL HGx% A 7 LEU HDy% 1.0 1.864 4.050 431 269 A 7 LEU HA A 10 ARG H 1.0 1.867 4.067 432 270 A 16 ARG HD2 A 16 ARG HE 1.0 1.868 4.080 433 270 A 16 ARG HD3 A 16 ARG HE 1.0 1.868 4.080 434 271 A 16 ARG HA A 16 ARG HGy 1.0 1.868 4.080 435 272 A 24 VAL H A 23 GLU HBx 1.0 1.870 4.092 436 273 A 10 ARG HDy A 10 ARG HGy 1.0 1.871 4.097 437 274 A 21 ARG HB2 A 18 ASP HBy 1.0 1.871 4.097 438 274 A 21 ARG HB3 A 18 ASP HBy 1.0 1.871 4.097 439 275 A 17 CYS H A 17 CYS HBx 1.0 1.871 4.101 440 276 A 24 VAL HA A 15 VAL HGx% 1.0 1.872 4.106 441 277 A 21 ARG HE A 21 ARG HD2 1.0 1.874 4.114 442 277 A 21 ARG HD3 A 21 ARG HE 1.0 1.874 4.114 443 278 A 12 ORN HDy A 13 CYS H 1.0 1.874 4.118 444 279 A 4 CYS HA A 22 TYR HE2 1.0 1.876 4.128 445 279 A 4 CYS HA A 22 TYR HE1 1.0 1.876 4.128 446 280 A 21 ARG H A 20 PRO HA 1.0 1.877 4.137 447 281 A 18 ASP H A 17 CYS HBx 1.0 1.877 4.137 448 282 A 23 GLU H A 23 GLU HBx 1.0 1.879 4.151 449 283 A 7 LEU HA A 11 TYR HD2 1.0 1.880 4.160 450 283 A 7 LEU HA A 11 TYR HD1 1.0 1.880 4.160 451 284 A 5 LYS HA A 5 LYS HGy 1.0 1.881 4.165 452 285 A 24 VAL HGx% A 11 TYR HE1 1.0 1.882 4.170 453 285 A 24 VAL HGx% A 11 TYR HE2 1.0 1.882 4.170 454 286 A 24 VAL HGy% A 11 TYR HD1 1.0 1.883 4.175 455 286 A 24 VAL HGy% A 11 TYR HD2 1.0 1.883 4.175 456 287 A 9 LYS HBx A 10 ARG H 1.0 1.883 4.175 457 288 A 20 PRO HDy A 20 PRO HBy 1.0 1.883 4.175 458 289 A 7 LEU HDy% A 11 TYR HD2 1.0 1.883 4.175 459 289 A 7 LEU HDy% A 11 TYR HD1 1.0 1.883 4.175 460 290 A 19 DPR HA A 19 DPR HGx 1.0 1.882 4.180 461 291 A 7 LEU HDx% A 22 TYR HBy 1.0 1.882 4.180 462 292 A 15 VAL HGy% A 7 LEU HDy% 1.0 1.884 4.190 463 293 A 22 TYR H A 22 TYR HBx 1.0 1.886 4.200 464 294 A 24 VAL HGy% A 11 TYR HE2 1.0 1.886 4.204 465 294 A 24 VAL HGy% A 11 TYR HE1 1.0 1.886 4.204 466 295 A 15 VAL HGy% A 22 TYR HBy 1.0 1.886 4.210 467 296 A 14 GLU H A 14 GLU HGx 1.0 1.887 4.215 468 297 A 16 ARG H A 16 ARG HGx 1.0 1.889 4.231 469 298 A 5 LYS H A 5 LYS HGx 1.0 1.890 4.236 470 299 A 19 DPR HDy A 19 DPR HA 1.0 1.892 4.252 471 300 A 2 ASP HA A 2 ASP H 1.0 1.892 4.252 472 301 A 13 CYS H A 13 CYS HBy 1.0 1.893 4.257 473 302 A 7 LEU HDx% A 4 CYS HA 1.0 1.893 4.263 474 303 A 8 LYS H A 5 LYS HA 1.0 1.893 4.263 475 304 A 25 HIS H A 14 GLU HB2 1.0 1.897 4.285 476 304 A 25 HIS H A 14 GLU HB3 1.0 1.897 4.285 477 305 A 18 ASP H A 21 ARG HB2 1.0 1.899 4.303 478 305 A 18 ASP H A 21 ARG HB3 1.0 1.899 4.303 479 306 A 20 PRO HDy A 19 DPR HBy 1.0 1.900 4.308 480 307 A 13 CYS HBx A 14 GLU H 1.0 1.900 4.308 481 308 A 10 ARG HA A 10 ARG HGy 1.0 1.904 4.338 482 309 A 25 HIS H A 14 GLU H 1.0 1.904 4.344 483 310 A 9 LYS HA A 9 LYS HGx 1.0 1.905 4.351 484 311 A 17 CYS HA A 17 CYS HBx 1.0 1.905 4.351 485 312 A 6 GLU H A 6 GLU HGy 1.0 1.905 4.357 486 313 A 20 PRO HA A 20 PRO HGx 1.0 1.907 4.369 487 314 A 17 CYS HA A 22 TYR HE2 1.0 1.908 4.376 488 314 A 17 CYS HA A 22 TYR HE1 1.0 1.908 4.376 489 315 A 22 TYR HD2 A 21 ARG HA 1.0 1.908 4.382 490 315 A 22 TYR HD1 A 21 ARG HA 1.0 1.908 4.382 491 316 A 3 LYS H A 2 ASP HBy 1.0 1.909 4.389 492 317 A 16 ARG HA A 16 ARG HD2 1.0 1.911 4.395 493 317 A 16 ARG HA A 16 ARG HD3 1.0 1.911 4.395 494 318 A 7 LEU HBx A 7 LEU HDy% 1.0 1.911 4.395 495 319 A 23 GLU HG2 A 23 GLU H 1.0 1.914 4.422 496 319 A 23 GLU HG3 A 23 GLU H 1.0 1.914 4.422 497 320 A 10 ARG HDy A 10 ARG HE 1.0 1.914 4.422 498 321 A 5 LYS HA A 5 LYS HGx 1.0 1.914 4.428 499 322 A 19 DPR HA A 19 DPR HGy 1.0 1.915 4.435 500 323 A 22 TYR HE2 A 22 TYR HBx 1.0 1.915 4.435 501 323 A 22 TYR HE1 A 22 TYR HBx 1.0 1.915 4.435 502 324 A 19 DPR HDx A 17 CYS HBy 1.0 1.916 4.442 503 325 A 7 LEU HDx% A 22 TYR HE2 1.0 1.917 4.457 504 325 A 7 LEU HDx% A 22 TYR HE1 1.0 1.917 4.457 505 326 A 14 GLU HA A 14 GLU HGy 1.0 1.917 4.457 506 327 A 24 VAL HGx% A 24 VAL H 1.0 1.917 4.457 507 328 A 3 LYS HA A 3 LYS HGy 1.0 1.918 4.464 508 329 A 8 LYS H A 8 LYS HG2 1.0 1.920 4.478 509 329 A 8 LYS H A 8 LYS HG3 1.0 1.920 4.478 510 330 A 7 LEU HBy A 11 TYR HE2 1.0 1.920 4.486 511 330 A 7 LEU HBy A 11 TYR HE1 1.0 1.920 4.486 512 331 A 13 CYS HBx A 26 CYS HA 1.0 1.921 4.493 513 332 A 3 LYS H A 2 ASP H 1.0 1.921 4.493 514 333 A 21 ARG H A 18 ASP H 1.0 1.922 4.500 515 334 A 22 TYR H A 21 ARG HG2 1.0 1.925 4.523 516 334 A 22 TYR H A 21 ARG HG3 1.0 1.925 4.523 517 335 A 3 LYS HA A 6 GLU HGx 1.0 1.926 4.532 518 336 A 9 LYS HGy A 9 LYS HA 1.0 1.927 4.547 519 337 A 25 HIS H A 24 VAL HGy% 1.0 1.929 4.563 520 338 A 24 VAL HGx% A 11 TYR HBy 1.0 1.933 4.597 521 339 A 8 LYS HA A 11 TYR HBy 1.0 1.933 4.597 522 340 A 10 ARG HE A 10 ARG HDx 1.0 1.933 4.597 523 341 A 25 HIS HD2 A 25 HIS HBy 1.0 1.933 4.597 524 342 A 16 ARG HBy A 23 GLU H 1.0 1.933 4.605 525 343 A 10 ARG HBx A 10 ARG HDx 1.0 1.934 4.614 526 344 A 7 LEU HDx% A 3 LYS HGy 1.0 1.935 4.623 527 345 A 23 GLU H A 22 TYR HD2 1.0 1.935 4.623 528 345 A 23 GLU H A 22 TYR HD1 1.0 1.935 4.623 529 346 A 22 TYR HE2 A 17 CYS HBx 1.0 1.936 4.632 530 346 A 22 TYR HE1 A 17 CYS HBx 1.0 1.936 4.632 531 347 A 16 ARG H A 15 VAL HGx% 1.0 1.937 4.641 532 348 A 18 ASP H A 17 CYS HBy 1.0 1.937 4.641 533 349 A 9 LYS H A 9 LYS HGx 1.0 1.938 4.650 534 350 A 5 LYS HB2 A 2 ASP HBy 1.0 1.938 4.650 535 350 A 5 LYS HB3 A 2 ASP HBy 1.0 1.938 4.650 536 351 A 22 TYR HE2 A 22 TYR HBy 1.0 1.939 4.659 537 351 A 22 TYR HE1 A 22 TYR HBy 1.0 1.939 4.659 538 352 A 15 VAL HA A 24 VAL HGy% 1.0 1.940 4.668 539 353 A 3 LYS HGx A 3 LYS H 1.0 1.940 4.678 540 354 A 15 VAL HGy% A 23 GLU H 1.0 1.940 4.678 541 355 A 15 VAL HGy% A 22 TYR HBx 1.0 1.940 4.678 542 356 A 8 LYS HA A 15 VAL HGy% 1.0 1.941 4.687 543 357 A 13 CYS H A 11 TYR HBy 1.0 1.941 4.687 544 358 A 21 ARG HG2 A 21 ARG HE 1.0 1.941 4.687 545 358 A 21 ARG HG3 A 21 ARG HE 1.0 1.941 4.687 546 359 A 19 DPR HDy A 19 DPR HBy 1.0 1.942 4.696 547 360 A 14 GLU HA A 14 GLU HGx 1.0 1.942 4.696 548 361 A 3 LYS HB2 A 22 TYR HE2 1.0 1.942 4.696 549 361 A 3 LYS HB2 A 22 TYR HE1 1.0 1.942 4.696 550 361 A 3 LYS HB3 A 22 TYR HE2 1.0 1.942 4.696 551 361 A 3 LYS HB3 A 22 TYR HE1 1.0 1.942 4.696 552 362 A 12 ORN HDx A 13 CYS H 1.0 1.943 4.707 553 363 A 7 LEU HBx A 11 TYR HD2 1.0 1.943 4.707 554 363 A 7 LEU HBx A 11 TYR HD1 1.0 1.943 4.707 555 364 A 21 ARG HB2 A 21 ARG HE 1.0 1.944 4.716 556 364 A 21 ARG HB3 A 21 ARG HE 1.0 1.944 4.716 557 365 A 1 ASN HD2y A 1 ASN HBx 1.0 1.944 4.726 558 366 A 19 DPR HA A 20 PRO HGx 1.0 1.947 4.753 559 367 A 21 ARG H A 18 ASP HBx 1.0 1.947 4.753 560 368 A 10 ARG HBy A 11 TYR HE2 1.0 1.948 4.760 561 368 A 10 ARG HBy A 11 TYR HE1 1.0 1.948 4.760 562 369 A 19 DPR HDx A 18 ASP H 1.0 1.949 4.775 563 370 A 5 LYS HB2 A 2 ASP HBx 1.0 1.949 4.775 564 370 A 5 LYS HB3 A 2 ASP HBx 1.0 1.949 4.775 565 371 A 13 CYS H A 14 GLU H 1.0 1.949 4.775 566 372 A 6 GLU HA A 6 GLU HGx 1.0 1.950 4.786 567 373 A 16 ARG HA A 17 CYS HBy 1.0 1.951 4.795 568 374 A 15 VAL HGx% A 14 GLU HA 1.0 1.952 4.802 569 375 A 1 ASN HD2y A 1 ASN HBy 1.0 1.952 4.810 570 376 A 7 LEU HDy% A 22 TYR HE2 1.0 1.952 4.814 571 376 A 7 LEU HDy% A 22 TYR HE1 1.0 1.952 4.814 572 377 A 15 VAL H A 15 VAL HGy% 1.0 1.952 4.814 573 378 A 17 CYS HA A 22 TYR HD2 1.0 1.955 4.839 574 378 A 17 CYS HA A 22 TYR HD1 1.0 1.955 4.839 575 379 A 10 ARG HDy A 11 TYR HE2 1.0 1.956 4.852 576 379 A 10 ARG HDy A 11 TYR HE1 1.0 1.956 4.852 577 380 A 7 LEU HA A 11 TYR HE2 1.0 1.958 4.872 578 380 A 7 LEU HA A 11 TYR HE1 1.0 1.958 4.872 579 381 A 21 ARG H A 20 PRO HDy 1.0 1.957 4.879 580 382 A 10 ARG HGx A 10 ARG HE 1.0 1.959 4.885 581 383 A 4 CYS HB2 A 22 TYR HD2 1.0 1.959 4.885 582 383 A 4 CYS HB2 A 22 TYR HD1 1.0 1.959 4.885 583 383 A 4 CYS HB3 A 22 TYR HD2 1.0 1.959 4.885 584 383 A 4 CYS HB3 A 22 TYR HD1 1.0 1.959 4.885 585 384 A 10 ARG HGx A 10 ARG H 1.0 1.958 4.890 586 385 A 4 CYS HA A 22 TYR HD2 1.0 1.961 4.911 587 385 A 4 CYS HA A 22 TYR HD1 1.0 1.961 4.911 588 386 A 19 DPR HDx A 19 DPR HBy 1.0 1.960 4.916 589 387 A 20 PRO HDx A 19 DPR HBy 1.0 1.961 4.923 590 388 A 11 TYR HE2 A 10 ARG HE 1.0 1.962 4.934 591 388 A 11 TYR HE1 A 10 ARG HE 1.0 1.962 4.934 592 389 A 10 ARG HGy A 10 ARG HE 1.0 1.963 4.941 593 390 A 22 TYR HE2 A 20 PRO HA 1.0 1.963 4.947 594 390 A 22 TYR HE1 A 20 PRO HA 1.0 1.963 4.947 595 391 A 7 LEU HDy% A 22 TYR HD2 1.0 1.964 4.962 596 391 A 7 LEU HDy% A 22 TYR HD1 1.0 1.964 4.962 597 392 A 11 TYR HBx A 11 TYR HE2 1.0 1.965 4.965 598 392 A 11 TYR HBx A 11 TYR HE1 1.0 1.965 4.965 599 393 A 15 VAL HGy% A 11 TYR HD2 1.0 1.964 4.968 600 393 A 15 VAL HGy% A 11 TYR HD1 1.0 1.964 4.968 601 394 A 25 HIS H A 15 VAL HGx% 1.0 1.965 4.975 602 395 A 7 LEU HDx% A 3 LYS HE2 1.0 1.965 4.979 603 395 A 7 LEU HDx% A 3 LYS HE3 1.0 1.965 4.979 604 396 A 15 VAL H A 14 GLU HGy 1.0 1.966 4.984 605 397 A 25 HIS H A 24 VAL H 1.0 1.966 4.992 606 398 A 10 ARG HBx A 11 TYR HD2 1.0 1.966 4.994 607 398 A 10 ARG HBx A 11 TYR HD1 1.0 1.966 4.994 608 399 A 15 VAL H A 14 GLU HGx 1.0 1.966 5.000 609 400 A 10 ARG HA A 10 ARG HDx 1.0 1.968 5.016 610 401 A 15 VAL HGx% A 13 CYS HBy 1.0 1.968 5.020 611 402 A 15 VAL HA A 24 VAL HGx% 1.0 1.969 5.033 612 403 A 21 ARG H A 20 PRO HBy 1.0 1.969 5.035 613 404 A 11 TYR H A 15 VAL HGx% 1.0 1.970 5.060 614 405 A 15 VAL HB A 24 VAL HGy% 1.0 1.970 5.060 615 406 A 20 PRO HDy A 20 PRO HA 1.0 1.971 5.061 616 407 A 11 TYR HE2 A 10 ARG HDx 1.0 1.973 5.087 617 407 A 11 TYR HE1 A 10 ARG HDx 1.0 1.973 5.087 618 408 A 2 ASP H A 1 ASN HBy 1.0 1.973 5.093 619 409 A 4 CYS H A 5 LYS HB2 1.0 1.973 5.101 620 409 A 4 CYS H A 5 LYS HB3 1.0 1.973 5.101 621 410 A 3 LYS H A 2 ASP HBx 1.0 1.974 5.110 622 411 A 15 VAL H A 16 ARG H 1.0 1.975 5.133 623 412 A 10 ARG HDy A 7 LEU HDy% 1.0 1.975 5.139 624 413 A 18 ASP H A 22 TYR HD2 1.0 1.978 5.172 625 413 A 18 ASP H A 22 TYR HD1 1.0 1.978 5.172 626 414 A 3 LYS H A 3 LYS HGy 1.0 1.978 5.174 627 415 A 7 LEU HDy% A 22 TYR HBx 1.0 1.977 5.177 628 416 A 8 LYS HA A 11 TYR HD2 1.0 1.980 5.206 629 416 A 8 LYS HA A 11 TYR HD1 1.0 1.980 5.206 630 417 A 21 ARG H A 20 PRO HGx 1.0 1.980 5.220 631 418 A 18 ASP H A 22 TYR H 1.0 1.981 5.233 632 419 A 25 HIS HD2 A 25 HIS HA 1.0 1.981 5.245 633 420 A 20 PRO HDx A 20 PRO HA 1.0 1.981 5.249 634 421 A 11 TYR HE2 A 10 ARG HGy 1.0 1.981 5.249 635 421 A 11 TYR HE1 A 10 ARG HGy 1.0 1.981 5.249 636 422 A 22 TYR HE2 A 4 CYS H 1.0 1.983 5.267 637 422 A 22 TYR HE1 A 4 CYS H 1.0 1.983 5.267 638 423 A 16 ARG HBy A 16 ARG HE 1.0 1.983 5.267 639 424 A 15 VAL H A 8 LYS HG2 1.0 1.983 5.277 640 424 A 15 VAL H A 8 LYS HG3 1.0 1.983 5.277 641 425 A 5 LYS H A 5 LYS HGy 1.0 1.983 5.277 642 426 A 11 TYR HD2 A 10 ARG HGy 1.0 1.984 5.294 643 426 A 11 TYR HD1 A 10 ARG HGy 1.0 1.984 5.294 644 427 A 19 DPR HDx A 19 DPR HA 1.0 1.985 5.309 645 428 A 10 ARG H A 10 ARG HGy 1.0 1.985 5.311 646 429 A 22 TYR HD2 A 17 CYS HBx 1.0 1.985 5.311 647 429 A 22 TYR HD1 A 17 CYS HBx 1.0 1.985 5.311 648 430 A 22 TYR HE1 A 3 LYS HD2 1.0 1.985 5.319 649 430 A 22 TYR HE2 A 3 LYS HD2 1.0 1.985 5.319 650 430 A 22 TYR HE2 A 3 LYS HD3 1.0 1.985 5.319 651 430 A 22 TYR HE1 A 3 LYS HD3 1.0 1.985 5.319 652 431 A 17 CYS HA A 22 TYR HBx 1.0 1.985 5.323 653 432 A 16 ARG HGx A 16 ARG HE 1.0 1.987 5.351 654 433 A 25 HIS H A 16 ARG H 1.0 1.987 5.363 655 434 A 15 VAL HGy% A 4 CYS HA 1.0 1.987 5.363 656 435 A 2 ASP HA A 4 CYS H 1.0 1.987 5.365 657 436 A 14 GLU HB2 A 13 CYS HA 1.0 1.987 5.365 658 436 A 14 GLU HB3 A 13 CYS HA 1.0 1.987 5.365 659 437 A 5 LYS HD2 A 5 LYS H 1.0 1.987 5.371 660 437 A 5 LYS HD3 A 5 LYS H 1.0 1.987 5.371 661 438 A 13 CYS HBy A 24 VAL HGy% 1.0 1.988 5.376 662 439 A 17 CYS HA A 22 TYR HBy 1.0 1.988 5.382 663 440 A 2 ASP HA A 5 LYS H 1.0 1.988 5.388 664 441 A 6 GLU H A 4 CYS H 1.0 1.989 5.397 665 442 A 9 LYS H A 5 LYS HA 1.0 1.989 5.401 666 443 A 16 ARG HGy A 16 ARG HE 1.0 1.989 5.405 667 444 A 3 LYS HA A 5 LYS H 1.0 1.989 5.429 668 445 A 11 TYR HE2 A 11 TYR HBy 1.0 1.990 5.440 669 445 A 11 TYR HE1 A 11 TYR HBy 1.0 1.990 5.440 670 446 A 25 HIS HD2 A 25 HIS HE1 1.0 1.992 5.484 671 447 A 16 ARG H A 24 VAL HGy% 1.0 1.993 5.517 672 448 A 7 LEU HDy% A 10 ARG HDx 1.0 1.992 5.522 673 449 A 23 GLU H A 22 TYR H 1.0 1.993 5.527 674 450 A 13 CYS HBy A 14 GLU HB2 1.0 1.992 5.532 675 450 A 13 CYS HBy A 14 GLU HB3 1.0 1.992 5.532 676 451 A 24 VAL HGy% A 22 TYR HBy 1.0 1.994 5.562 677 452 A 15 VAL HGy% A 22 TYR HE1 1.0 1.994 5.572 678 452 A 15 VAL HGy% A 22 TYR HE2 1.0 1.994 5.572 679 453 A 21 ARG HB2 A 22 TYR HD2 1.0 1.994 5.578 680 453 A 21 ARG HB2 A 22 TYR HD1 1.0 1.994 5.578 681 453 A 21 ARG HB3 A 22 TYR HD2 1.0 1.994 5.578 682 453 A 21 ARG HB3 A 22 TYR HD1 1.0 1.994 5.578 683 454 A 9 LYS H A 9 LYS HGy 1.0 1.994 5.582 684 455 A 10 ARG H A 11 TYR HA 1.0 1.996 5.614 685 456 A 22 TYR HE2 A 17 CYS HBy 1.0 1.996 5.622 686 456 A 22 TYR HE1 A 17 CYS HBy 1.0 1.996 5.622 687 457 A 14 GLU H A 14 GLU HGy 1.0 1.996 5.630 688 458 A 23 GLU H A 24 VAL HGy% 1.0 1.996 5.650 689 459 A 14 GLU H A 25 HIS HBy 1.0 1.996 5.652 690 460 A 24 VAL HGy% A 22 TYR HBx 1.0 1.997 5.655 691 461 A 21 ARG H A 22 TYR H 1.0 1.996 5.666 692 462 A 8 LYS H A 9 LYS HA 1.0 1.998 5.752 693 463 A 1 ASN HD2x A 1 ASN HBy 1.0 1.998 5.760 694 464 A 7 LEU HDy% A 22 TYR HBy 1.0 1.999 5.767 695 465 A 22 TYR HA A 22 TYR HE2 1.0 1.998 5.782 696 465 A 22 TYR HA A 22 TYR HE1 1.0 1.998 5.782 697 466 A 10 ARG H A 11 TYR HD2 1.0 1.999 5.815 698 466 A 10 ARG H A 11 TYR HD1 1.0 1.999 5.815 699 467 A 3 LYS HA A 6 GLU HGy 1.0 1.999 5.835 700 468 A 22 TYR HE2 A 21 ARG HA 1.0 1.999 5.835 701 468 A 22 TYR HE1 A 21 ARG HA 1.0 1.999 5.835 702 469 A 15 VAL HGx% A 22 TYR HBx 1.0 1.999 5.855 703 470 A 22 TYR HD2 A 17 CYS HBy 1.0 1.999 5.875 704 470 A 22 TYR HD1 A 17 CYS HBy 1.0 1.999 5.875 705 471 A 7 LEU HA A 7 LEU HDx% 1.0 2.000 5.878 706 472 A 21 ARG H A 21 ARG HD2 1.0 2.000 5.896 707 472 A 21 ARG H A 21 ARG HD3 1.0 2.000 5.896 708 473 A 15 VAL HGx% A 22 TYR HD1 1.0 2.000 5.906 709 473 A 15 VAL HGx% A 22 TYR HD2 1.0 2.000 5.906 710 474 A 5 LYS HA A 8 LYS HG2 1.0 1.999 5.917 711 474 A 5 LYS HA A 8 LYS HG3 1.0 1.999 5.917 712 475 A 5 LYS H A 2 ASP HBx 1.0 2.000 5.936 713 476 A 11 TYR H A 10 ARG HGy 1.0 1.999 5.939 714 477 A 4 CYS HA A 6 GLU H 1.0 2.000 5.962 715 478 A 7 LEU H A 6 GLU HGy 1.0 2.000 6.004 716 479 A 1 ASN HD2x A 1 ASN HBx 1.0 2.000 6.012 717 480 A 22 TYR HE2 A 22 TYR H 1.0 2.000 6.068 718 480 A 22 TYR HE1 A 22 TYR H 1.0 2.000 6.068 719 481 A 11 TYR H A 11 TYR HE2 1.0 1.999 6.101 720 481 A 11 TYR H A 11 TYR HE1 1.0 1.999 6.101 721 482 A 13 CYS HBy A 11 TYR HD2 1.0 1.999 6.127 722 482 A 13 CYS HBy A 11 TYR HD1 1.0 1.999 6.127 723 483 A 21 ARG H A 20 PRO HBx 1.0 1.999 6.145 724 484 A 15 VAL HGx% A 11 TYR HE1 1.0 1.998 6.282 725 484 A 15 VAL HGx% A 11 TYR HE2 1.0 1.998 6.282 726 485 A 13 CYS H A 11 TYR HD2 1.0 1.996 6.350 727 485 A 13 CYS H A 11 TYR HD1 1.0 1.996 6.350 728 486 A 3 LYS H A 5 LYS H 1.0 1.994 6.456 729 487 A 18 ASP H A 22 TYR HE2 1.0 1.994 6.462 730 487 A 18 ASP H A 22 TYR HE1 1.0 1.994 6.462 731 488 A 18 ASP H A 19 DPR HA 1.0 1.984 6.724 732 489 A 10 ARG HGx A 11 TYR HD2 1.0 1.980 6.816 733 489 A 10 ARG HGx A 11 TYR HD1 1.0 1.980 6.816 734 490 A 24 VAL HGy% A 11 TYR HBy 1.0 1.973 6.959 735 491 A 3 LYS H A 6 GLU HGx 1.0 1.834 8.470 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 13 CYS H A 11 TYR O 1.0 1.8 2.0 12 12 A 11 TYR O A 13 CYS N 1.0 2.7 3.1 13 13 A 21 ARG H A 18 ASP O 1.0 1.8 2.0 14 14 A 18 ASP O A 21 ARG N 1.0 2.7 3.1 15 15 A 18 ASP H A 21 ARG O 1.0 1.8 2.0 16 16 A 21 ARG O A 18 ASP N 1.0 2.7 3.1 17 17 A 23 GLU H A 16 ARG O 1.0 1.8 2.0 18 18 A 16 ARG O A 23 GLU N 1.0 2.7 3.1 19 19 A 16 ARG H A 23 GLU O 1.0 1.8 2.0 20 20 A 23 GLU O A 16 ARG N 1.0 2.7 3.1 21 21 A 25 HIS H A 14 GLU O 1.0 1.8 2.0 22 22 A 14 GLU O A 25 HIS N 1.0 2.7 3.1 23 23 A 14 GLU H A 25 HIS O 1.0 1.8 2.0 24 24 A 25 HIS O A 14 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 CYS C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -160.0 -80.0 PHI 9 9 A 14 GLU C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -160.0 -80.0 PHI 10 10 A 15 VAL C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -160.0 -80.0 PHI 11 11 A 16 ARG C A 17 CYS N A 17 CYS CA A 17 CYS C 1.0 -160.0 -80.0 PHI 12 12 A 17 CYS C A 18 ASP N A 18 ASP CA A 18 ASP C 1.0 -160.0 -80.0 PHI 13 13 A 21 ARG C A 22 TYR N A 22 TYR CA A 22 TYR C 1.0 -160.0 -80.0 PHI 14 14 A 22 TYR C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -160.0 -80.0 PHI 15 15 A 23 GLU C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -160.0 -80.0 PHI 16 16 A 25 HIS C A 26 CYS N A 26 CYS CA A 26 CYS C 1.0 -160.0 -80.0 PHI stop_ save_