data_nef_c30498_6e5j 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 6E5J 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 2 ASP C 1 3 B3K N 1 3 B3K C 1 4 CYS N 1 5 LYS C 1 6 B3E N 1 6 B3E C 1 7 LEU N 1 8 LYS C 1 9 B3K N 1 9 B3K C 1 10 ARG N 1 11 TYR C 1 12 AIB N 1 12 AIB C 1 13 GLY N 1 15 GLU C 1 16 MVA N 1 16 MVA C 1 17 ARG N 1 19 ASP C 1 20 DPR N 1 20 DPR C 1 21 PRO N 1 24 GLU C 1 25 MVA N 1 25 MVA C 1 26 HIS 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 -OXT . 3 A 3 B3K middle -H2,-OXT . 4 A 4 CYS middle -HG,-H2 . 5 A 5 LYS middle -OXT . 6 A 6 B3E middle -H2,-OXT . 7 A 7 LEU middle -H2 . 8 A 8 LYS middle -OXT . 9 A 9 B3K middle -H2,-OXT . 10 A 10 ARG middle -H2 . 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 -OXT . 16 A 16 MVA middle -H,-OXT . 17 A 17 ARG middle -H2 . 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 -OXT . 25 A 25 MVA middle -H,-OXT . 26 A 26 HIS middle -H2 . 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 4.352 0.000 A 1 ASN HB2 H 1 3.044 0.000 A 1 ASN HB3 H 1 3.044 0.000 A 1 ASN HD2x H 1 7.100 0.000 A 1 ASN HD2y H 1 7.755 0.001 A 2 ASP H H 1 8.800 0.001 A 2 ASP HA H 1 4.665 0.000 A 2 ASP HB2 H 1 2.761 0.000 A 2 ASP HB3 H 1 2.761 0.000 A 3 B3K H H 1 7.939 0.001 A 3 B3K HA1 H 1 2.466 0.000 A 3 B3K HB H 1 4.171 0.000 A 3 B3K HDy H 1 1.415 0.000 A 3 B3K HE3 H 1 1.650 0.000 A 3 B3K HF1 H 1 2.990 0.000 A 3 B3K HG3 H 1 1.568 0.001 A 3 B3K HNZ1 H 1 7.538 0.000 A 4 CYS H H 1 8.307 0.000 A 4 CYS HA H 1 4.356 0.001 A 4 CYS HBy H 1 3.100 0.000 A 4 CYS HBx H 1 2.878 0.001 A 5 LYS H H 1 8.215 0.001 A 5 LYS HA H 1 4.154 0.000 A 5 LYS HBy H 1 1.822 0.005 A 5 LYS HBx H 1 1.780 0.001 A 5 LYS HGy H 1 1.483 0.000 A 5 LYS HGx H 1 1.382 0.001 A 5 LYS HD2 H 1 1.679 0.000 A 5 LYS HD3 H 1 1.679 0.000 A 5 LYS HE2 H 1 2.984 0.001 A 5 LYS HE3 H 1 2.984 0.001 A 5 LYS HZ1 H 1 7.541 0.000 A 5 LYS HZ2 H 1 7.541 0.000 A 5 LYS HZ3 H 1 7.541 0.000 A 6 B3E H H 1 7.849 0.002 A 6 B3E HA1 H 1 2.498 0.001 A 6 B3E HB H 1 4.189 0.001 A 6 B3E HDy H 1 2.381 0.003 A 6 B3E HGy H 1 1.890 0.000 A 7 LEU H H 1 8.233 0.000 A 7 LEU HA H 1 4.213 0.001 A 7 LEU HBy H 1 1.746 0.000 A 7 LEU HBx H 1 1.588 0.000 A 7 LEU HG H 1 1.471 0.001 A 7 LEU HDx% H 1 0.758 0.002 A 7 LEU HDy% H 1 0.788 0.002 A 8 LYS H H 1 8.076 0.001 A 8 LYS HA H 1 4.163 0.000 A 8 LYS HBy H 1 1.845 0.000 A 8 LYS HBx H 1 1.741 0.000 A 8 LYS HGy H 1 1.544 0.000 A 8 LYS HGx H 1 1.365 0.000 A 8 LYS HD2 H 1 1.655 0.000 A 8 LYS HD3 H 1 1.655 0.000 A 8 LYS HE2 H 1 2.959 0.000 A 8 LYS HE3 H 1 2.959 0.000 A 9 B3K H H 1 7.734 0.001 A 9 B3K HA1 H 1 2.444 0.001 A 9 B3K HB H 1 4.125 0.000 A 9 B3K HD3 H 1 1.436 0.000 A 9 B3K HE3 H 1 1.661 0.001 A 9 B3K HF1 H 1 2.982 0.000 A 9 B3K HG3 H 1 1.558 0.000 A 9 B3K HNZ1 H 1 7.542 0.000 A 10 ARG H H 1 8.133 0.001 A 10 ARG HA H 1 4.151 0.000 A 10 ARG HBy H 1 1.656 0.001 A 10 ARG HBx H 1 1.536 0.002 A 10 ARG HGy H 1 1.257 0.000 A 10 ARG HGx H 1 1.206 0.000 A 10 ARG HDy H 1 3.034 0.000 A 10 ARG HDx H 1 2.987 0.002 A 10 ARG HE H 1 7.078 0.000 A 11 TYR H H 1 8.283 0.001 A 11 TYR HA H 1 4.697 0.000 A 11 TYR HBy H 1 3.076 0.000 A 11 TYR HBx H 1 2.759 0.000 A 11 TYR HD1 H 1 7.103 0.001 A 11 TYR HD2 H 1 7.103 0.001 A 11 TYR HE1 H 1 6.771 0.001 A 11 TYR HE2 H 1 6.771 0.001 A 12 AIB H H 1 7.905 0.000 A 12 AIB HBx% H 1 1.431 0.000 A 12 AIB HBy% H 1 1.483 0.000 A 13 GLY H H 1 8.542 0.000 A 13 GLY HAy H 1 4.051 0.001 A 13 GLY HAx H 1 3.894 0.001 A 14 CYS H H 1 8.151 0.000 A 14 CYS HA H 1 5.131 0.001 A 14 CYS HBy H 1 3.376 0.000 A 14 CYS HBx H 1 2.534 0.000 A 15 GLU H H 1 8.794 0.001 A 15 GLU HA H 1 5.079 0.002 A 15 GLU HB2 H 1 2.160 0.000 A 15 GLU HB3 H 1 2.160 0.000 A 15 GLU HGy H 1 2.530 0.000 A 15 GLU HGx H 1 2.445 0.005 A 16 MVA HA H 1 5.115 0.001 A 16 MVA HB H 1 2.173 0.001 A 16 MVA HG13 H 1 0.741 0.001 A 16 MVA HGy% H 1 0.826 0.001 A 16 MVA HN1 H 1 3.318 0.001 A 17 ARG H H 1 8.501 0.000 A 17 ARG HA H 1 4.674 0.001 A 17 ARG HBy H 1 1.859 0.003 A 17 ARG HBx H 1 1.739 0.002 A 17 ARG HGy H 1 1.612 0.000 A 17 ARG HGx H 1 1.560 0.001 A 17 ARG HD2 H 1 3.137 0.006 A 17 ARG HD3 H 1 3.137 0.006 A 17 ARG HE H 1 7.189 0.001 A 18 CYS H H 1 8.777 0.000 A 18 CYS HA H 1 5.056 0.000 A 18 CYS HBy H 1 3.300 0.000 A 18 CYS HBx H 1 2.966 0.001 A 19 ASP H H 1 8.684 0.000 A 19 ASP HA H 1 5.147 0.002 A 19 ASP HBy H 1 2.760 0.002 A 19 ASP HBx H 1 2.556 0.001 A 20 DPR HA H 1 4.736 0.000 A 20 DPR HBx H 1 1.923 0.001 A 20 DPR HBy H 1 2.321 0.001 A 20 DPR HDx H 1 3.518 0.002 A 20 DPR HDy H 1 3.881 0.002 A 20 DPR HGx H 1 2.031 0.001 A 20 DPR HGy H 1 2.164 0.003 A 21 PRO HA H 1 4.543 0.000 A 21 PRO HB2 H 1 2.243 0.002 A 21 PRO HB3 H 1 2.243 0.002 A 21 PRO HGy H 1 2.110 0.003 A 21 PRO HGx H 1 1.905 0.003 A 21 PRO HDy H 1 3.990 0.001 A 21 PRO HDx H 1 3.730 0.002 A 22 ARG H H 1 7.656 0.000 A 22 ARG HA H 1 4.460 0.001 A 22 ARG HB2 H 1 1.878 0.003 A 22 ARG HB3 H 1 1.878 0.003 A 22 ARG HG2 H 1 1.605 0.002 A 22 ARG HG3 H 1 1.605 0.002 A 22 ARG HD2 H 1 3.233 0.001 A 22 ARG HD3 H 1 3.233 0.001 A 22 ARG HE H 1 7.231 0.000 A 23 TYR H H 1 8.323 0.000 A 23 TYR HA H 1 5.125 0.001 A 23 TYR HB2 H 1 2.780 0.002 A 23 TYR HB3 H 1 2.780 0.002 A 23 TYR HD1 H 1 6.937 0.002 A 23 TYR HD2 H 1 6.937 0.002 A 23 TYR HE1 H 1 6.797 0.001 A 23 TYR HE2 H 1 6.797 0.001 A 24 GLU H H 1 8.962 0.001 A 24 GLU HA H 1 5.156 0.006 A 24 GLU HBy H 1 1.968 0.002 A 24 GLU HBx H 1 1.894 0.001 A 24 GLU HG2 H 1 2.322 0.002 A 24 GLU HG3 H 1 2.322 0.002 A 25 MVA HA H 1 5.017 0.000 A 25 MVA HB H 1 2.160 0.001 A 25 MVA HG13 H 1 0.610 0.001 A 25 MVA HGy% H 1 0.722 0.000 A 25 MVA HN1 H 1 3.217 0.000 A 26 HIS H H 1 8.833 0.000 A 26 HIS HA H 1 5.039 0.000 A 26 HIS HBy H 1 3.305 0.000 A 26 HIS HBx H 1 3.121 0.000 A 26 HIS HD2 H 1 7.218 0.000 A 26 HIS HE1 H 1 8.645 0.000 A 27 CYS H H 1 9.142 0.000 A 27 CYS HA H 1 4.916 0.004 A 27 CYS HBy H 1 3.203 0.003 A 27 CYS HBx H 1 2.931 0.001 A 28 NH2 HNx H 1 7.183 0.000 A 28 NH2 HNy H 1 7.668 0.001 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 15 GLU H A 25 MVA HGy% 1.0 1.940 4.682 2 1 A 15 GLU H A 16 MVA HG11 1.0 1.940 4.682 3 1 A 16 MVA HG11 A 18 CYS H 1.0 1.940 4.682 4 2 A 16 MVA HG11 A 14 CYS H 1.0 1.978 5.168 5 2 A 25 MVA HGy% A 14 CYS H 1.0 1.978 5.168 6 3 A 25 MVA HGy% A 25 MVA HB 1.0 1.493 2.481 7 3 A 16 MVA HG11 A 16 MVA HB 1.0 1.493 2.481 8 3 A 25 MVA HGy% A 16 MVA HB 1.0 1.493 2.481 9 4 A 16 MVA HG11 A 11 TYR H 1.0 1.974 5.124 10 4 A 25 MVA HGy% A 11 TYR H 1.0 1.974 5.124 11 5 A 25 MVA HGy% A 17 ARG H 1.0 1.920 4.480 12 5 A 16 MVA HG11 A 17 ARG H 1.0 1.920 4.480 13 6 A 16 MVA HG11 A 8 LYS H 1.0 2.000 5.940 14 6 A 8 LYS H A 7 LEU HDx% 1.0 2.000 5.940 15 7 A 8 LYS H A 7 LEU HDy% 1.0 1.965 4.981 16 7 A 8 LYS H A 7 LEU HDx% 1.0 1.965 4.981 17 8 A 25 MVA HB A 16 MVA HGy% 1.0 1.605 2.839 18 8 A 16 MVA HB A 16 MVA HGy% 1.0 1.605 2.839 19 9 A 18 CYS H A 17 ARG HGy 1.0 1.992 5.518 20 9 A 18 CYS H A 8 LYS HGx 1.0 1.992 5.518 21 10 A 18 CYS H A 17 ARG HBy 1.0 1.932 4.592 22 10 A 18 CYS H A 8 LYS HBy 1.0 1.932 4.592 23 11 A 8 LYS H A 8 LYS HBy 1.0 1.701 3.203 24 11 A 8 LYS H A 7 LEU HBx 1.0 1.701 3.203 25 12 A 25 MVA HB A 17 ARG H 1.0 1.945 4.721 26 12 A 16 MVA HB A 17 ARG H 1.0 1.945 4.721 27 13 A 19 ASP H A 24 GLU HG2 1.0 1.999 5.903 28 13 A 19 ASP H A 24 GLU HG3 1.0 1.999 5.903 29 13 A 20 DPR HBy A 19 ASP H 1.0 1.999 5.903 30 14 A 26 HIS H A 15 GLU HGx 1.0 1.936 4.636 31 14 A 14 CYS HBy A 26 HIS H 1.0 1.936 4.636 32 15 A 15 GLU H A 15 GLU HGx 1.0 1.710 3.242 33 15 A 15 GLU H A 14 CYS HBy 1.0 1.710 3.242 34 16 A 16 MVA HG11 A 11 TYR HBy 1.0 1.837 3.877 35 16 A 25 MVA HGy% A 11 TYR HBy 1.0 1.837 3.877 36 17 A 14 CYS H A 11 TYR HBy 1.0 1.964 4.964 37 17 A 10 ARG H A 11 TYR HBy 1.0 1.964 4.964 38 18 A 8 LYS H A 23 TYR HB2 1.0 1.999 5.827 39 18 A 8 LYS H A 23 TYR HB3 1.0 1.999 5.827 40 18 A 8 LYS H A 11 TYR HBy 1.0 1.999 5.827 41 19 A 11 TYR HBy A 8 LYS HA 1.0 1.934 4.618 42 19 A 3 B3K HB A 2 ASP HB2 1.0 1.934 4.618 43 19 A 3 B3K HB A 2 ASP HB3 1.0 1.934 4.618 44 20 A 4 CYS H A 18 CYS HBy 1.0 2.000 6.032 45 20 A 4 CYS H A 5 LYS HE2 1.0 2.000 6.032 46 20 A 5 LYS HE3 A 4 CYS H 1.0 2.000 6.032 47 21 A 25 MVA HGy% A 11 TYR HBx 1.0 1.765 3.495 48 21 A 16 MVA HG11 A 11 TYR HBx 1.0 1.765 3.495 49 22 A 15 GLU H A 26 HIS HBy 1.0 1.928 4.558 50 22 A 18 CYS H A 17 ARG HD2 1.0 1.928 4.558 51 22 A 18 CYS H A 17 ARG HD3 1.0 1.928 4.558 52 23 A 17 ARG H A 18 CYS HBx 1.0 1.979 5.211 53 23 A 17 ARG H A 26 HIS HBx 1.0 1.979 5.211 54 24 A 8 LYS HA A 18 CYS HBx 1.0 1.925 4.527 55 24 A 18 CYS HBx A 5 LYS HA 1.0 1.925 4.527 56 25 A 11 TYR HD2 A 10 ARG HA 1.0 1.890 4.232 57 25 A 11 TYR HD1 A 10 ARG HA 1.0 1.890 4.232 58 25 A 11 TYR HD2 A 8 LYS HA 1.0 1.890 4.232 59 25 A 11 TYR HD1 A 8 LYS HA 1.0 1.890 4.232 60 26 A 4 CYS HA A 7 LEU H 1.0 1.654 3.020 61 26 A 4 CYS HA A 5 LYS H 1.0 1.654 3.020 62 27 A 21 PRO HA A 21 PRO HGy 1.0 1.923 4.511 63 27 A 21 PRO HA A 20 DPR HBx 1.0 1.923 4.511 64 28 A 25 MVA HB A 25 MVA HA 1.0 1.799 3.665 65 28 A 16 MVA HB A 25 MVA HA 1.0 1.799 3.665 66 29 A 26 HIS HA A 26 HIS HD2 1.0 1.957 4.869 67 29 A 25 MVA HA A 26 HIS HD2 1.0 1.957 4.869 68 30 A 26 HIS HBx A 26 HIS HA 1.0 1.547 2.645 69 30 A 18 CYS HBx A 18 CYS HA 1.0 1.547 2.645 70 31 A 18 CYS H A 18 CYS HA 1.0 1.786 3.598 71 31 A 15 GLU H A 15 GLU HA 1.0 1.786 3.598 72 32 A 16 MVA HG11 A 16 MVA HA 1.0 1.653 3.013 73 32 A 25 MVA HGy% A 16 MVA HA 1.0 1.653 3.013 74 33 A 18 CYS HBx A 23 TYR HA 1.0 1.860 4.026 75 33 A 26 HIS HBx A 16 MVA HA 1.0 1.860 4.026 76 34 A 23 TYR HA A 22 ARG H 1.0 1.998 5.724 77 34 A 19 ASP HA A 22 ARG H 1.0 1.998 5.724 78 35 A 19 ASP HA A 19 ASP HBy 1.0 1.754 3.442 79 35 A 14 CYS HBy A 14 CYS HA 1.0 1.754 3.442 80 36 A 25 MVA HB A 24 GLU HA 1.0 1.958 4.886 81 36 A 19 ASP HA A 20 DPR HGy 1.0 1.958 4.886 82 37 A 24 GLU HA A 23 TYR HD1 1.0 1.978 5.186 83 37 A 19 ASP HA A 23 TYR HD2 1.0 1.978 5.186 84 37 A 19 ASP HA A 23 TYR HD1 1.0 1.978 5.186 85 37 A 24 GLU HA A 23 TYR HD2 1.0 1.978 5.186 86 38 A 7 LEU H A 23 TYR HE2 1.0 1.993 5.529 87 38 A 7 LEU H A 23 TYR HE1 1.0 1.993 5.529 88 38 A 5 LYS H A 23 TYR HE2 1.0 1.993 5.529 89 38 A 5 LYS H A 23 TYR HE1 1.0 1.993 5.529 90 39 A 14 CYS H A 12 ABA H 1.0 1.943 4.701 91 39 A 10 ARG H A 12 ABA H 1.0 1.943 4.701 92 40 A 3 B3K HB A 7 LEU H 1.0 1.773 3.531 93 40 A 5 LYS HA A 5 LYS H 1.0 1.773 3.531 94 41 A 7 LEU H A 7 LEU HA 1.0 1.749 3.413 95 41 A 6 B3E HB A 7 LEU H 1.0 1.749 3.413 96 42 A 24 GLU H A 25 MVA HG11 1.0 1.982 5.254 97 43 A 11 TYR HE2 A 25 MVA HG11 1.0 1.901 4.321 98 43 A 11 TYR HE1 A 25 MVA HG11 1.0 1.901 4.321 99 44 A 17 ARG H A 25 MVA HG11 1.0 1.947 4.741 100 45 A 25 MVA HB A 25 MVA HG11 1.0 1.644 2.984 101 46 A 26 HIS H A 25 MVA HG11 1.0 1.970 5.046 102 47 A 11 TYR HD1 A 25 MVA HG11 1.0 1.935 4.627 103 47 A 11 TYR HD2 A 25 MVA HG11 1.0 1.935 4.627 104 48 A 16 MVA HGy% A 25 MVA HG11 1.0 1.723 3.301 105 49 A 25 MVA HGy% A 25 MVA HG11 1.0 1.488 2.464 106 50 A 25 MVA HGy% A 27 CYS H 1.0 1.988 5.382 107 51 A 25 MVA HGy% A 26 HIS H 1.0 1.800 3.674 108 52 A 25 MVA HGy% A 11 TYR HD1 1.0 1.777 3.555 109 52 A 25 MVA HGy% A 11 TYR HD2 1.0 1.777 3.555 110 53 A 25 MVA HGy% A 11 TYR HE1 1.0 1.870 4.092 111 53 A 25 MVA HGy% A 11 TYR HE2 1.0 1.870 4.092 112 54 A 16 MVA HG11 A 9 B3K HB 1.0 1.831 8.491 113 55 A 16 MVA HG11 A 8 LYS HA 1.0 1.848 3.944 114 56 A 7 LEU HDx% A 7 LEU HA 1.0 1.977 5.167 115 57 A 16 MVA HG11 A 16 MVA HGy% 1.0 1.398 2.214 116 58 A 7 LEU HDx% A 23 TYR HD2 1.0 1.867 4.075 117 58 A 7 LEU HDx% A 23 TYR HD1 1.0 1.867 4.075 118 59 A 7 LEU HDx% A 23 TYR HE1 1.0 1.936 4.636 119 59 A 7 LEU HDx% A 23 TYR HE2 1.0 1.936 4.636 120 60 A 7 LEU HDx% A 7 LEU H 1.0 1.978 5.180 121 61 A 7 LEU HDy% A 7 LEU HA 1.0 1.774 3.536 122 62 A 7 LEU HDy% A 11 TYR HE1 1.0 1.867 4.067 123 62 A 7 LEU HDy% A 11 TYR HE2 1.0 1.867 4.067 124 63 A 7 LEU HDy% A 7 LEU H 1.0 1.979 5.197 125 64 A 7 LEU HDy% A 11 TYR HD1 1.0 1.887 4.211 126 64 A 7 LEU HDy% A 11 TYR HD2 1.0 1.887 4.211 127 65 A 17 ARG H A 16 MVA HGy% 1.0 1.799 3.667 128 66 A 16 MVA HGy% A 24 GLU H 1.0 1.923 4.503 129 67 A 10 ARG HA A 10 ARG HGy 1.0 1.933 4.609 130 68 A 10 ARG HGy A 10 ARG HE 1.0 1.772 3.526 131 69 A 10 ARG H A 10 ARG HGy 1.0 1.923 4.511 132 70 A 10 ARG HA A 10 ARG HGx 1.0 1.870 4.092 133 71 A 10 ARG H A 10 ARG HGx 1.0 1.956 4.854 134 72 A 10 ARG HE A 10 ARG HGx 1.0 1.995 5.603 135 73 A 8 LYS H A 8 LYS HGy 1.0 1.937 4.645 136 74 A 5 LYS H A 5 LYS HGy 1.0 1.904 4.340 137 75 A 7 LEU H A 7 LEU HG 1.0 1.861 4.029 138 76 A 11 TYR HE2 A 7 LEU HG 1.0 2.000 5.900 139 76 A 11 TYR HE1 A 7 LEU HG 1.0 2.000 5.900 140 77 A 11 TYR H A 10 ARG HBy 1.0 1.823 3.797 141 78 A 10 ARG H A 10 ARG HBy 1.0 1.750 3.420 142 79 A 11 TYR HE2 A 10 ARG HBy 1.0 1.991 5.483 143 79 A 11 TYR HE1 A 10 ARG HBy 1.0 1.991 5.483 144 80 A 11 TYR HD2 A 10 ARG HBy 1.0 1.892 4.248 145 80 A 11 TYR HD1 A 10 ARG HBy 1.0 1.892 4.248 146 81 A 17 ARG HGy A 17 ARG HE 1.0 1.945 4.721 147 82 A 17 ARG HGy A 17 ARG HD2 1.0 1.786 3.598 148 82 A 17 ARG HGy A 17 ARG HD3 1.0 1.786 3.598 149 83 A 17 ARG H A 17 ARG HGy 1.0 1.941 4.691 150 84 A 17 ARG HGy A 26 HIS HD2 1.0 1.987 6.645 151 85 A 7 LEU H A 7 LEU HBy 1.0 1.748 3.412 152 86 A 8 LYS H A 7 LEU HBy 1.0 1.997 6.315 153 87 A 22 ARG H A 22 ARG HG2 1.0 1.797 3.653 154 87 A 22 ARG H A 22 ARG HG3 1.0 1.797 3.653 155 88 A 22 ARG HG2 A 22 ARG HD3 1.0 1.671 3.085 156 88 A 22 ARG HG2 A 22 ARG HD2 1.0 1.671 3.085 157 88 A 22 ARG HG3 A 22 ARG HD2 1.0 1.671 3.085 158 88 A 22 ARG HG3 A 22 ARG HD3 1.0 1.671 3.085 159 89 A 18 CYS H A 17 ARG HGx 1.0 1.978 5.182 160 90 A 22 ARG HG2 A 23 TYR H 1.0 1.928 4.550 161 90 A 22 ARG HG3 A 23 TYR H 1.0 1.928 4.550 162 91 A 17 ARG HD2 A 17 ARG HGx 1.0 1.765 3.495 163 91 A 17 ARG HD3 A 17 ARG HGx 1.0 1.765 3.495 164 92 A 17 ARG HE A 17 ARG HGx 1.0 1.963 4.947 165 93 A 22 ARG HG2 A 22 ARG HE 1.0 1.990 5.448 166 93 A 22 ARG HG3 A 22 ARG HE 1.0 1.990 5.448 167 94 A 17 ARG H A 17 ARG HGx 1.0 1.929 4.567 168 95 A 11 TYR H A 10 ARG HBx 1.0 1.902 4.328 169 96 A 10 ARG H A 10 ARG HBx 1.0 1.769 3.511 170 97 A 10 ARG HBx A 10 ARG HE 1.0 1.997 5.685 171 98 A 5 LYS H A 5 LYS HD2 1.0 1.940 4.672 172 98 A 5 LYS H A 5 LYS HD3 1.0 1.940 4.672 173 99 A 17 ARG HBy A 17 ARG HD2 1.0 1.808 3.712 174 99 A 17 ARG HBy A 17 ARG HD3 1.0 1.808 3.712 175 100 A 17 ARG H A 17 ARG HBy 1.0 1.757 3.453 176 101 A 17 ARG HBy A 24 GLU H 1.0 1.940 4.672 177 102 A 11 TYR HD2 A 7 LEU HBx 1.0 1.968 5.016 178 102 A 11 TYR HD1 A 7 LEU HBx 1.0 1.968 5.016 179 103 A 7 LEU HBx A 7 LEU H 1.0 1.741 3.377 180 104 A 5 LYS H A 5 LYS HBy 1.0 1.750 3.424 181 105 A 5 LYS H A 5 LYS HBx 1.0 1.813 3.745 182 106 A 8 LYS H A 8 LYS HBx 1.0 1.829 3.831 183 107 A 18 CYS H A 17 ARG HBx 1.0 1.843 3.917 184 108 A 17 ARG HD2 A 17 ARG HBx 1.0 1.779 3.563 185 108 A 17 ARG HD3 A 17 ARG HBx 1.0 1.779 3.563 186 109 A 17 ARG H A 17 ARG HBx 1.0 1.786 3.594 187 110 A 22 ARG HE A 22 ARG HB2 1.0 1.880 4.160 188 110 A 22 ARG HE A 22 ARG HB3 1.0 1.880 4.160 189 111 A 23 TYR H A 22 ARG HB2 1.0 1.788 3.604 190 111 A 23 TYR H A 22 ARG HB3 1.0 1.788 3.604 191 112 A 19 ASP H A 22 ARG HB2 1.0 1.895 4.275 192 112 A 19 ASP H A 22 ARG HB3 1.0 1.895 4.275 193 113 A 22 ARG H A 22 ARG HB2 1.0 1.621 2.897 194 113 A 22 ARG H A 22 ARG HB3 1.0 1.621 2.897 195 114 A 22 ARG HD3 A 22 ARG HB2 1.0 1.798 3.658 196 114 A 22 ARG HD2 A 22 ARG HB2 1.0 1.798 3.658 197 114 A 22 ARG HD2 A 22 ARG HB3 1.0 1.798 3.658 198 114 A 22 ARG HD3 A 22 ARG HB3 1.0 1.798 3.658 199 115 A 24 GLU H A 24 GLU HBy 1.0 1.747 3.409 200 116 A 21 PRO HGy A 21 PRO HDx 1.0 1.704 3.220 201 117 A 21 PRO HGy A 21 PRO HDy 1.0 1.755 3.445 202 118 A 20 DPR HBx A 20 DPR HDx 1.0 1.837 3.881 203 119 A 20 DPR HBx A 20 DPR HDy 1.0 1.917 4.459 204 120 A 17 ARG H A 24 GLU HBx 1.0 1.851 3.965 205 121 A 24 GLU H A 24 GLU HBx 1.0 1.883 4.185 206 122 A 26 HIS HD2 A 24 GLU HBx 1.0 2.000 6.024 207 123 A 20 DPR HDy A 20 DPR HGx 1.0 1.723 3.299 208 124 A 20 DPR HDx A 20 DPR HGx 1.0 1.789 3.613 209 125 A 21 PRO HDy A 21 PRO HGx 1.0 1.687 3.145 210 126 A 21 PRO HDx A 21 PRO HGx 1.0 1.756 3.452 211 127 A 22 ARG H A 21 PRO HGx 1.0 1.920 4.480 212 128 A 15 GLU H A 15 GLU HB2 1.0 1.725 3.311 213 128 A 15 GLU H A 15 GLU HB3 1.0 1.725 3.311 214 129 A 26 HIS H A 15 GLU HB2 1.0 1.857 4.003 215 129 A 26 HIS H A 15 GLU HB3 1.0 1.857 4.003 216 130 A 20 DPR HGy A 20 DPR HDy 1.0 1.800 3.672 217 131 A 20 DPR HGy A 20 DPR HDx 1.0 1.713 3.257 218 132 A 16 MVA HB A 8 LYS HA 1.0 1.982 5.254 219 133 A 21 PRO HDy A 21 PRO HB2 1.0 1.861 4.029 220 133 A 21 PRO HDy A 21 PRO HB3 1.0 1.861 4.029 221 134 A 22 ARG H A 21 PRO HB2 1.0 1.996 5.660 222 134 A 22 ARG H A 21 PRO HB3 1.0 1.996 5.660 223 135 A 21 PRO HDx A 21 PRO HB2 1.0 1.964 4.964 224 135 A 21 PRO HDx A 21 PRO HB3 1.0 1.964 4.964 225 136 A 20 DPR HBy A 20 DPR HDx 1.0 1.943 4.701 226 137 A 20 DPR HBy A 20 DPR HDy 1.0 1.916 4.452 227 138 A 24 GLU HG2 A 24 GLU H 1.0 1.867 4.071 228 138 A 24 GLU HG3 A 24 GLU H 1.0 1.867 4.071 229 139 A 20 DPR HBy A 21 PRO HDy 1.0 1.900 4.310 230 140 A 20 DPR HBy A 21 PRO HDx 1.0 1.951 4.797 231 141 A 15 GLU H A 15 GLU HGy 1.0 1.923 4.511 232 142 A 26 HIS HBx A 15 GLU HGy 1.0 1.889 4.221 233 143 A 14 CYS H A 14 CYS HBy 1.0 1.840 3.900 234 144 A 14 CYS HBy A 14 CYS HBx 1.0 1.422 2.276 235 145 A 25 MVA HGy% A 14 CYS HBy 1.0 1.712 3.252 236 146 A 14 CYS HBy A 27 CYS H 1.0 1.999 5.805 237 147 A 19 ASP H A 19 ASP HBy 1.0 1.831 3.843 238 148 A 19 ASP HBy A 20 DPR HDy 1.0 2.000 5.918 239 149 A 20 DPR HDy A 19 ASP HBx 1.0 1.998 6.300 240 150 A 11 TYR HD2 A 11 TYR HBy 1.0 1.661 3.047 241 150 A 11 TYR HD1 A 11 TYR HBy 1.0 1.661 3.047 242 151 A 11 TYR H A 11 TYR HBy 1.0 1.716 3.270 243 152 A 11 TYR HBy A 11 TYR HBx 1.0 1.421 2.273 244 153 A 2 ASP HB2 A 2 ASP H 1.0 1.845 3.923 245 153 A 2 ASP HB3 A 2 ASP H 1.0 1.845 3.923 246 154 A 11 TYR HBy A 14 CYS HBx 1.0 1.866 4.062 247 155 A 19 ASP H A 19 ASP HBx 1.0 1.764 3.488 248 156 A 22 ARG H A 19 ASP HBx 1.0 1.972 5.088 249 157 A 7 LEU HDx% A 23 TYR HB3 1.0 1.872 4.106 250 157 A 7 LEU HDx% A 23 TYR HB2 1.0 1.872 4.106 251 158 A 16 MVA HGy% A 23 TYR HB3 1.0 1.729 3.327 252 158 A 16 MVA HGy% A 23 TYR HB2 1.0 1.729 3.327 253 159 A 23 TYR HB2 A 23 TYR HD1 1.0 1.562 2.696 254 159 A 23 TYR HB2 A 23 TYR HD2 1.0 1.562 2.696 255 159 A 23 TYR HB3 A 23 TYR HD2 1.0 1.562 2.696 256 159 A 23 TYR HB3 A 23 TYR HD1 1.0 1.562 2.696 257 160 A 23 TYR HB2 A 23 TYR HE2 1.0 1.838 3.886 258 160 A 23 TYR HB2 A 23 TYR HE1 1.0 1.838 3.886 259 160 A 23 TYR HB3 A 23 TYR HE2 1.0 1.838 3.886 260 160 A 23 TYR HB3 A 23 TYR HE1 1.0 1.838 3.886 261 161 A 23 TYR HB2 A 23 TYR H 1.0 1.709 3.239 262 161 A 23 TYR HB3 A 23 TYR H 1.0 1.709 3.239 263 162 A 23 TYR HB2 A 24 GLU H 1.0 1.759 3.461 264 162 A 23 TYR HB3 A 24 GLU H 1.0 1.759 3.461 265 163 A 7 LEU HDy% A 23 TYR HB3 1.0 1.978 5.182 266 163 A 7 LEU HDy% A 23 TYR HB2 1.0 1.978 5.182 267 164 A 23 TYR HB3 A 25 MVA HG11 1.0 1.860 4.026 268 164 A 23 TYR HB2 A 25 MVA HG11 1.0 1.860 4.026 269 165 A 18 CYS HBx A 4 CYS HBy 1.0 1.840 3.900 270 166 A 4 CYS H A 4 CYS HBy 1.0 1.730 3.332 271 167 A 5 LYS H A 4 CYS HBy 1.0 1.925 4.527 272 168 A 4 CYS HBy A 4 CYS HBx 1.0 1.404 2.230 273 169 A 18 CYS H A 4 CYS HBy 1.0 1.952 4.798 274 170 A 23 TYR HE2 A 4 CYS HBy 1.0 1.965 4.989 275 170 A 23 TYR HE1 A 4 CYS HBy 1.0 1.965 4.989 276 171 A 27 CYS H A 27 CYS HBy 1.0 1.712 3.252 277 172 A 27 CYS HBy A 27 CYS HBx 1.0 1.387 2.185 278 173 A 18 CYS HBy A 20 DPR HDx 1.0 1.947 4.743 279 174 A 18 CYS HBy A 18 CYS HBx 1.0 1.427 2.293 280 175 A 19 ASP H A 18 CYS HBy 1.0 1.899 4.303 281 176 A 18 CYS H A 18 CYS HBy 1.0 1.728 3.320 282 177 A 10 ARG HE A 10 ARG HDy 1.0 1.898 4.292 283 178 A 10 ARG HE A 10 ARG HDx 1.0 1.969 5.039 284 179 A 2 ASP H A 1 ASN HB2 1.0 1.902 4.328 285 179 A 2 ASP H A 1 ASN HB3 1.0 1.902 4.328 286 180 A 10 ARG H A 10 ARG HDx 1.0 1.987 6.653 287 181 A 1 ASN HB2 A 1 ASN HD2y 1.0 1.936 4.636 288 181 A 1 ASN HB3 A 1 ASN HD2y 1.0 1.936 4.636 289 182 A 11 TYR HD2 A 11 TYR HBx 1.0 1.678 3.110 290 182 A 11 TYR HD1 A 11 TYR HBx 1.0 1.678 3.110 291 183 A 11 TYR H A 11 TYR HBx 1.0 1.832 3.852 292 184 A 11 TYR HBx A 14 CYS HBx 1.0 1.749 3.415 293 185 A 14 CYS H A 11 TYR HBx 1.0 1.953 4.823 294 186 A 4 CYS H A 4 CYS HBx 1.0 1.787 3.603 295 187 A 5 LYS H A 4 CYS HBx 1.0 1.880 4.156 296 188 A 26 HIS H A 26 HIS HBy 1.0 1.774 3.540 297 189 A 17 ARG H A 17 ARG HD2 1.0 1.994 6.408 298 189 A 17 ARG H A 17 ARG HD3 1.0 1.994 6.408 299 190 A 26 HIS HBy A 26 HIS HBx 1.0 1.360 2.116 300 191 A 26 HIS HBy A 26 HIS HD2 1.0 1.916 4.444 301 192 A 26 HIS HBy A 27 CYS H 1.0 1.948 4.760 302 193 A 17 ARG HD2 A 17 ARG HE 1.0 1.889 4.221 303 193 A 17 ARG HD3 A 17 ARG HE 1.0 1.889 4.221 304 194 A 27 CYS H A 27 CYS HBx 1.0 1.866 4.058 305 195 A 23 TYR HE2 A 22 ARG HD2 1.0 1.980 5.216 306 195 A 23 TYR HE1 A 22 ARG HD2 1.0 1.980 5.216 307 195 A 23 TYR HE2 A 22 ARG HD3 1.0 1.980 5.216 308 195 A 23 TYR HE1 A 22 ARG HD3 1.0 1.980 5.216 309 196 A 23 TYR HD1 A 22 ARG HD2 1.0 1.963 4.951 310 196 A 23 TYR HD2 A 22 ARG HD2 1.0 1.963 4.951 311 196 A 23 TYR HD2 A 22 ARG HD3 1.0 1.963 4.951 312 196 A 23 TYR HD1 A 22 ARG HD3 1.0 1.963 4.951 313 197 A 22 ARG HD2 A 22 ARG HE 1.0 1.913 4.417 314 197 A 22 ARG HD3 A 22 ARG HE 1.0 1.913 4.417 315 198 A 19 ASP H A 18 CYS HBx 1.0 1.858 4.010 316 199 A 26 HIS H A 26 HIS HBx 1.0 1.754 3.440 317 200 A 26 HIS HBx A 26 HIS HD2 1.0 1.916 4.444 318 201 A 26 HIS HBx A 27 CYS H 1.0 1.941 4.691 319 202 A 18 CYS H A 18 CYS HBx 1.0 1.778 3.558 320 203 A 18 CYS HBx A 23 TYR HE2 1.0 1.999 6.193 321 203 A 18 CYS HBx A 23 TYR HE1 1.0 1.999 6.193 322 204 A 18 CYS HBx A 23 TYR HD2 1.0 1.995 5.611 323 204 A 18 CYS HBx A 23 TYR HD1 1.0 1.995 5.611 324 205 A 26 HIS HBx A 15 GLU HB2 1.0 1.505 2.517 325 205 A 26 HIS HBx A 15 GLU HB3 1.0 1.505 2.517 326 206 A 16 MVA HGy% A 18 CYS HBx 1.0 1.877 4.137 327 207 A 15 GLU H A 14 CYS HBx 1.0 1.881 4.165 328 208 A 25 MVA HGy% A 14 CYS HBx 1.0 1.786 3.598 329 209 A 11 TYR H A 14 CYS HBx 1.0 2.000 6.012 330 210 A 14 CYS H A 14 CYS HBx 1.0 1.692 3.168 331 211 A 16 MVA HG11 A 14 CYS HBx 1.0 1.928 4.558 332 212 A 26 HIS H A 14 CYS HBx 1.0 1.991 5.457 333 213 A 11 TYR HD2 A 14 CYS HBx 1.0 1.980 5.232 334 213 A 11 TYR HD1 A 14 CYS HBx 1.0 1.980 5.232 335 214 A 19 ASP H A 20 DPR HDx 1.0 1.949 4.783 336 215 A 20 DPR HDx A 20 DPR HDy 1.0 1.441 2.331 337 216 A 22 ARG H A 21 PRO HDy 1.0 1.932 4.592 338 217 A 21 PRO HDx A 21 PRO HDy 1.0 1.424 2.284 339 218 A 19 ASP H A 20 DPR HDy 1.0 1.999 5.773 340 219 A 14 CYS H A 13 GLY HAy 1.0 1.866 4.058 341 220 A 13 GLY HAx A 13 GLY HAy 1.0 1.333 2.047 342 221 A 13 GLY HAy A 13 GLY H 1.0 1.677 3.107 343 222 A 22 ARG H A 21 PRO HDx 1.0 1.818 3.768 344 223 A 14 CYS H A 13 GLY HAx 1.0 1.870 4.088 345 224 A 13 GLY HAx A 13 GLY H 1.0 1.717 3.277 346 225 A 10 ARG HA A 12 ABA H 1.0 1.914 4.424 347 226 A 8 LYS H A 8 LYS HA 1.0 1.728 3.322 348 227 A 10 ARG H A 7 LEU HA 1.0 1.959 4.901 349 228 A 8 LYS H A 7 LEU HA 1.0 1.691 3.163 350 229 A 11 TYR HD2 A 7 LEU HA 1.0 1.936 4.636 351 229 A 11 TYR HD1 A 7 LEU HA 1.0 1.936 4.636 352 230 A 4 CYS HA A 23 TYR HD2 1.0 1.999 6.073 353 230 A 4 CYS HA A 23 TYR HD1 1.0 1.999 6.073 354 231 A 8 LYS HBy A 4 CYS HA 1.0 1.915 4.437 355 232 A 4 CYS HA A 4 CYS HBy 1.0 1.748 3.410 356 233 A 4 CYS H A 4 CYS HA 1.0 1.801 3.679 357 234 A 4 CYS HA A 23 TYR HE2 1.0 1.955 4.837 358 234 A 4 CYS HA A 23 TYR HE1 1.0 1.955 4.837 359 235 A 2 ASP H A 1 ASN HA 1.0 1.815 3.751 360 236 A 7 LEU HDx% A 4 CYS HA 1.0 1.939 4.663 361 237 A 23 TYR HE2 A 22 ARG HA 1.0 1.999 5.865 362 237 A 23 TYR HE1 A 22 ARG HA 1.0 1.999 5.865 363 238 A 23 TYR HD2 A 22 ARG HA 1.0 1.925 4.527 364 238 A 23 TYR HD1 A 22 ARG HA 1.0 1.925 4.527 365 239 A 22 ARG HG2 A 22 ARG HA 1.0 1.774 3.536 366 239 A 22 ARG HG3 A 22 ARG HA 1.0 1.774 3.536 367 240 A 22 ARG HB2 A 22 ARG HA 1.0 1.664 3.058 368 240 A 22 ARG HB3 A 22 ARG HA 1.0 1.664 3.058 369 241 A 23 TYR H A 22 ARG HA 1.0 1.586 2.774 370 242 A 22 ARG H A 22 ARG HA 1.0 1.791 3.619 371 243 A 23 TYR HB2 A 22 ARG HA 1.0 1.970 5.048 372 243 A 23 TYR HB3 A 22 ARG HA 1.0 1.970 5.048 373 244 A 21 PRO HA A 22 ARG H 1.0 1.892 4.248 374 245 A 21 PRO HA A 21 PRO HDx 1.0 1.928 4.558 375 246 A 21 PRO HA A 21 PRO HB2 1.0 1.650 3.006 376 246 A 21 PRO HA A 21 PRO HB3 1.0 1.650 3.006 377 247 A 21 PRO HA A 23 TYR HE2 1.0 1.998 5.766 378 247 A 21 PRO HA A 23 TYR HE1 1.0 1.998 5.766 379 248 A 21 PRO HA A 21 PRO HDy 1.0 1.950 4.790 380 249 A 2 ASP H A 2 ASP HA 1.0 1.926 4.534 381 250 A 5 LYS H A 2 ASP HA 1.0 2.000 5.992 382 251 A 17 ARG HBx A 17 ARG HA 1.0 1.744 3.396 383 252 A 17 ARG HBy A 17 ARG HA 1.0 1.777 3.549 384 253 A 18 CYS H A 17 ARG HA 1.0 1.554 2.668 385 254 A 17 ARG HGx A 17 ARG HA 1.0 1.920 4.480 386 255 A 17 ARG HGy A 17 ARG HA 1.0 1.862 4.034 387 256 A 18 CYS HBx A 17 ARG HA 1.0 1.983 5.273 388 257 A 17 ARG H A 17 ARG HA 1.0 1.812 3.740 389 258 A 16 MVA HGy% A 17 ARG HA 1.0 1.974 5.122 390 259 A 14 CYS H A 11 TYR HA 1.0 2.000 5.962 391 260 A 13 GLY H A 11 TYR HA 1.0 1.999 5.845 392 261 A 11 TYR HD2 A 11 TYR HA 1.0 1.682 3.126 393 261 A 11 TYR HD1 A 11 TYR HA 1.0 1.682 3.126 394 262 A 12 ABA H A 11 TYR HA 1.0 1.763 3.481 395 263 A 11 TYR HBx A 11 TYR HA 1.0 1.707 3.231 396 264 A 11 TYR H A 11 TYR HA 1.0 1.777 3.553 397 265 A 14 CYS HBx A 11 TYR HA 1.0 1.998 5.792 398 266 A 22 ARG H A 20 DPR HA 1.0 1.917 4.459 399 267 A 21 PRO HGx A 20 DPR HA 1.0 1.883 4.185 400 268 A 20 DPR HGx A 20 DPR HA 1.0 1.875 4.123 401 269 A 21 PRO HDy A 20 DPR HA 1.0 1.620 2.892 402 270 A 21 PRO HDx A 20 DPR HA 1.0 1.594 2.802 403 271 A 20 DPR HBy A 20 DPR HA 1.0 1.649 2.999 404 272 A 20 DPR HDy A 20 DPR HA 1.0 1.928 4.550 405 273 A 20 DPR HGy A 20 DPR HA 1.0 1.947 4.747 406 274 A 20 DPR HBx A 20 DPR HA 1.0 1.738 3.368 407 275 A 20 DPR HDx A 20 DPR HA 1.0 1.990 5.452 408 276 A 14 CYS H A 27 CYS HA 1.0 2.000 6.004 409 277 A 15 GLU H A 27 CYS HA 1.0 1.861 4.029 410 278 A 14 CYS HBy A 27 CYS HA 1.0 1.812 3.738 411 279 A 27 CYS HBy A 27 CYS HA 1.0 1.819 3.777 412 280 A 27 CYS HBx A 27 CYS HA 1.0 1.706 3.224 413 281 A 14 CYS HBx A 27 CYS HA 1.0 1.958 4.876 414 282 A 16 MVA HGy% A 25 MVA HA 1.0 1.935 4.627 415 283 A 25 MVA HA A 25 MVA HG11 1.0 1.732 3.342 416 284 A 26 HIS H A 25 MVA HA 1.0 1.524 2.576 417 285 A 17 ARG H A 25 MVA HA 1.0 1.852 3.976 418 286 A 25 MVA HGy% A 25 MVA HA 1.0 1.657 3.031 419 287 A 15 GLU H A 25 MVA HA 1.0 1.925 4.527 420 288 A 26 HIS HA A 27 CYS HBy 1.0 1.998 6.260 421 289 A 26 HIS HBy A 26 HIS HA 1.0 1.691 3.165 422 290 A 26 HIS HA A 27 CYS H 1.0 1.551 2.657 423 291 A 16 MVA HGy% A 18 CYS HA 1.0 1.948 4.758 424 292 A 18 CYS HA A 24 GLU H 1.0 1.822 3.790 425 293 A 18 CYS HBy A 18 CYS HA 1.0 1.770 3.514 426 294 A 23 TYR HB2 A 18 CYS HA 1.0 1.818 3.766 427 294 A 23 TYR HB3 A 18 CYS HA 1.0 1.818 3.766 428 295 A 18 CYS H A 18 CYS HA 1.0 1.858 4.010 429 296 A 18 CYS HA A 23 TYR HE2 1.0 1.995 5.595 430 296 A 18 CYS HA A 23 TYR HE1 1.0 1.995 5.595 431 297 A 18 CYS HA A 23 TYR HD2 1.0 1.908 4.378 432 297 A 18 CYS HA A 23 TYR HD1 1.0 1.908 4.378 433 298 A 18 CYS HA A 19 ASP HBy 1.0 1.988 5.374 434 299 A 15 GLU HA A 15 GLU HB2 1.0 1.655 3.023 435 299 A 15 GLU HA A 15 GLU HB3 1.0 1.655 3.023 436 300 A 15 GLU HA A 15 GLU HGy 1.0 1.913 4.417 437 301 A 15 GLU HGx A 15 GLU HA 1.0 1.777 3.553 438 302 A 17 ARG H A 16 MVA HA 1.0 1.526 2.578 439 303 A 16 MVA HB A 16 MVA HA 1.0 1.763 3.485 440 304 A 26 HIS H A 16 MVA HA 1.0 1.827 3.825 441 305 A 16 MVA HGy% A 16 MVA HA 1.0 1.675 3.097 442 306 A 16 MVA HA A 25 MVA HG11 1.0 1.874 4.114 443 307 A 23 TYR HA A 24 GLU H 1.0 1.587 2.779 444 308 A 23 TYR HA A 23 TYR HE2 1.0 1.959 4.901 445 308 A 23 TYR HA A 23 TYR HE1 1.0 1.959 4.901 446 309 A 23 TYR HA A 23 TYR HD2 1.0 1.813 3.745 447 309 A 23 TYR HA A 23 TYR HD1 1.0 1.813 3.745 448 310 A 23 TYR HB2 A 23 TYR HA 1.0 1.581 2.757 449 310 A 23 TYR HB3 A 23 TYR HA 1.0 1.581 2.757 450 311 A 23 TYR HA A 23 TYR H 1.0 1.852 3.976 451 312 A 14 CYS HBy A 14 CYS HA 1.0 1.800 3.674 452 313 A 14 CYS HA A 14 CYS HBx 1.0 1.846 3.930 453 314 A 14 CYS H A 14 CYS HA 1.0 1.809 3.715 454 315 A 15 GLU H A 14 CYS HA 1.0 1.629 2.927 455 316 A 19 ASP HA A 19 ASP HBy 1.0 1.769 3.513 456 317 A 19 ASP HA A 20 DPR HDy 1.0 1.589 2.783 457 318 A 19 ASP HA A 20 DPR HDx 1.0 1.694 3.178 458 319 A 24 GLU HA A 24 GLU HBy 1.0 1.748 3.416 459 320 A 24 GLU HG2 A 24 GLU HA 1.0 1.766 3.498 460 320 A 24 GLU HG3 A 24 GLU HA 1.0 1.766 3.498 461 321 A 24 GLU HA A 24 GLU HBx 1.0 1.732 3.336 462 322 A 24 GLU HA A 24 GLU H 1.0 1.766 3.500 463 323 A 24 GLU HA A 25 MVA HG11 1.0 1.972 5.078 464 324 A 11 TYR HE2 A 11 TYR HD2 1.0 1.518 2.554 465 324 A 11 TYR HE2 A 11 TYR HD1 1.0 1.518 2.554 466 324 A 11 TYR HE1 A 11 TYR HD2 1.0 1.518 2.554 467 324 A 11 TYR HE1 A 11 TYR HD1 1.0 1.518 2.554 468 325 A 23 TYR HD1 A 23 TYR HE2 1.0 1.424 2.284 469 325 A 23 TYR HD2 A 23 TYR HE2 1.0 1.424 2.284 470 325 A 23 TYR HD2 A 23 TYR HE1 1.0 1.424 2.284 471 325 A 23 TYR HD1 A 23 TYR HE1 1.0 1.424 2.284 472 326 A 4 CYS H A 23 TYR HE2 1.0 1.999 5.889 473 326 A 4 CYS H A 23 TYR HE1 1.0 1.999 5.889 474 327 A 23 TYR HD2 A 24 GLU H 1.0 1.940 4.682 475 327 A 23 TYR HD1 A 24 GLU H 1.0 1.940 4.682 476 328 A 23 TYR HD2 A 23 TYR H 1.0 1.841 3.903 477 328 A 23 TYR HD1 A 23 TYR H 1.0 1.841 3.903 478 329 A 19 ASP H A 23 TYR HD2 1.0 1.993 5.529 479 329 A 19 ASP H A 23 TYR HD1 1.0 1.993 5.529 480 330 A 8 LYS H A 11 TYR HD2 1.0 1.997 5.665 481 330 A 8 LYS H A 11 TYR HD1 1.0 1.997 5.665 482 331 A 1 ASN HD2x A 1 ASN HD2y 1.0 1.415 2.259 483 332 A 11 TYR HD2 A 12 ABA H 1.0 2.000 5.954 484 332 A 11 TYR HD1 A 12 ABA H 1.0 2.000 5.954 485 333 A 10 ARG H A 11 TYR HD2 1.0 1.981 6.793 486 333 A 10 ARG H A 11 TYR HD1 1.0 1.981 6.793 487 334 A 11 TYR H A 11 TYR HD2 1.0 1.867 4.075 488 334 A 11 TYR H A 11 TYR HD1 1.0 1.867 4.075 489 335 A 26 HIS H A 26 HIS HD2 1.0 1.989 6.611 490 336 A 26 HIS HD2 A 26 HIS HE1 1.0 1.985 5.319 491 337 A 19 ASP H A 22 ARG H 1.0 1.911 4.397 492 338 A 22 ARG H A 23 TYR H 1.0 2.000 5.932 493 339 A 11 TYR H A 12 ABA H 1.0 1.844 3.920 494 340 A 12 ABA H A 13 GLY H 1.0 1.931 4.583 495 341 A 8 LYS H A 7 LEU HG 1.0 1.948 4.764 496 342 A 8 LYS H A 7 LEU H 1.0 1.848 3.944 497 343 A 10 ARG H A 9 B3K HB 1.0 1.945 4.731 498 344 A 10 ARG H A 10 ARG HA 1.0 1.777 3.551 499 345 A 11 TYR H A 10 ARG H 1.0 1.793 3.633 500 346 A 14 CYS H A 13 GLY H 1.0 1.786 3.600 501 347 A 15 GLU H A 14 CYS H 1.0 1.996 6.380 502 348 A 11 TYR H A 7 LEU HA 1.0 1.988 5.400 503 349 A 11 TYR H A 10 ARG HA 1.0 1.714 3.260 504 350 A 11 TYR H A 9 B3K HB 1.0 1.964 4.962 505 351 A 3 B3K HB A 4 CYS H 1.0 1.985 5.311 506 352 A 24 GLU H A 23 TYR H 1.0 1.987 5.363 507 353 A 17 ARG H A 24 GLU H 1.0 1.856 3.998 508 354 A 18 CYS H A 17 ARG H 1.0 1.943 4.701 509 355 A 17 ARG H A 26 HIS H 1.0 1.985 5.339 510 356 A 11 TYR H A 13 GLY H 1.0 1.956 4.862 511 357 A 19 ASP H A 23 TYR HA 1.0 1.973 5.089 512 358 A 19 ASP H A 24 GLU H 1.0 1.988 5.384 513 359 A 19 ASP H A 18 CYS HA 1.0 1.904 4.340 514 360 A 26 HIS H A 27 CYS H 1.0 1.970 5.048 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 ASP O A 6 B3E N 1.0 2.7 3.1 2 2 A 7 LEU H A 3 B3K O 1.0 1.8 2.0 3 3 A 3 B3K O A 7 LEU N 1.0 2.7 3.1 4 4 A 8 LYS H A 4 CYS O 1.0 1.8 2.0 5 5 A 4 CYS O A 8 LYS N 1.0 2.7 3.1 6 6 A 5 LYS O A 9 B3K N 1.0 2.7 3.1 7 7 A 10 ARG H A 6 B3E O 1.0 1.8 2.0 8 8 A 6 B3E O A 10 ARG N 1.0 2.7 3.1 9 9 A 14 CYS H A 11 TYR O 1.0 1.8 2.0 10 10 A 11 TYR O A 14 CYS N 1.0 2.7 3.1 11 11 A 22 ARG H A 19 ASP O 1.0 1.8 2.0 12 12 A 19 ASP O A 22 ARG N 1.0 2.7 3.1 13 13 A 19 ASP H A 22 ARG O 1.0 1.8 2.0 14 14 A 22 ARG O A 19 ASP N 1.0 2.7 3.1 15 15 A 24 GLU H A 17 ARG O 1.0 1.8 2.0 16 16 A 17 ARG O A 24 GLU N 1.0 2.7 3.1 17 17 A 17 ARG H A 24 GLU O 1.0 1.8 2.0 18 18 A 24 GLU O A 17 ARG N 1.0 2.7 3.1 19 19 A 26 HIS H A 15 GLU O 1.0 1.8 2.0 20 20 A 15 GLU O A 26 HIS N 1.0 2.7 3.1 21 21 A 15 GLU H A 26 HIS O 1.0 1.8 2.0 22 22 A 26 HIS O A 15 GLU N 1.0 2.7 3.1 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 ASP C A 3 B3K N A 3 B3K CB A 3 B3K CA 1.0 -160.0 -80.0 . 2 2 A 3 B3K C A 4 CYS N A 4 CYS CA A 4 CYS C 1.0 -90.0 -40.0 PHI 3 3 A 5 LYS C A 6 B3E N A 6 B3E CB A 6 B3E CA 1.0 -160.0 -80.0 . 4 4 A 6 B3E C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -90.0 -40.0 PHI 5 5 A 9 B3K C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -90.0 -40.0 PHI 6 6 A 10 ARG C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -160.0 -80.0 PHI 7 7 A 13 GLY C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -160.0 -80.0 PHI 8 8 A 16 MVA C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -160.0 -80.0 PHI 9 9 A 17 ARG C A 18 CYS N A 18 CYS CA A 18 CYS C 1.0 -160.0 -80.0 PHI 10 10 A 18 CYS C A 19 ASP N A 19 ASP CA A 19 ASP C 1.0 -160.0 -80.0 PHI 11 11 A 22 ARG C A 23 TYR N A 23 TYR CA A 23 TYR C 1.0 -160.0 -80.0 PHI 12 12 A 23 TYR C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -160.0 -80.0 PHI 13 13 A 25 MVA C A 26 HIS N A 26 HIS CA A 26 HIS C 1.0 -160.0 -80.0 PHI 14 14 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_