data_nef_c16074_2kch 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 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 1 CYS SG 1 15 CYS SG 1 5 CYS SG 1 17 CYS SG 1 10 CYS SG 1 22 CYS SG 1 1 CYS N 1 29 VAL C 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 CYS cyclic -HG,-H2 . 2 A 2 GLY middle . false 3 A 3 GLU middle . . 4 A 4 THR middle . . 5 A 5 CYS middle -HG . 6 A 6 PHE middle . . 7 A 7 GLY middle . false 8 A 8 GLY middle . false 9 A 9 THR middle . . 10 A 10 CYS middle -HG . 11 A 11 ASN middle . . 12 A 12 THR middle . . 13 A 13 PRO middle . false 14 A 14 GLY middle . false 15 A 15 CYS middle -HG . 16 A 16 SER middle . . 17 A 17 CYS middle -HG . 18 A 18 THR middle . . 19 A 19 TRP middle . . 20 A 20 PRO middle . true 21 A 21 ILE middle . . 22 A 22 CYS middle -HG . 23 A 23 THR middle . . 24 A 24 ARG middle . . 25 A 25 ASP middle . . 26 A 26 GLY middle . false 27 A 27 LEU middle . . 28 A 28 PRO middle . false 29 A 29 VAL cyclic -OXT . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 CYS H1 H 1 7.696 0.000 A 1 CYS HA H 1 4.494 0.000 A 1 CYS HBy H 1 3.416 0.000 A 1 CYS HBx H 1 3.116 0.000 A 2 GLY H H 1 8.645 0.000 A 2 GLY HAy H 1 3.887 0.000 A 2 GLY HAx H 1 3.764 0.000 A 3 GLU H H 1 7.071 0.000 A 3 GLU HA H 1 4.867 0.000 A 3 GLU HBy H 1 2.675 0.000 A 3 GLU HBx H 1 2.342 0.000 A 3 GLU HGy H 1 1.943 0.000 A 3 GLU HGx H 1 1.873 0.000 A 4 THR H H 1 8.448 0.000 A 4 THR HA H 1 4.451 0.000 A 4 THR HG2% H 1 1.166 0.000 A 5 CYS H H 1 8.289 0.000 A 5 CYS HA H 1 5.162 0.000 A 5 CYS HBy H 1 3.368 0.000 A 5 CYS HBx H 1 2.614 0.000 A 6 PHE H H 1 9.659 0.000 A 6 PHE HA H 1 4.022 0.000 A 6 PHE HBx H 1 3.212 0.000 A 6 PHE HBy H 1 3.212 0.000 A 6 PHE HDx H 1 7.494 0.000 A 6 PHE HEx H 1 7.119 0.000 A 6 PHE HEy H 1 7.119 0.000 A 7 GLY H H 1 9.220 0.000 A 7 GLY HAy H 1 4.462 0.000 A 7 GLY HAx H 1 3.881 0.000 A 8 GLY H H 1 8.215 0.000 A 8 GLY HAy H 1 4.577 0.000 A 8 GLY HAx H 1 4.139 0.000 A 9 THR H H 1 8.012 0.000 A 9 THR HA H 1 4.740 0.000 A 9 THR HB H 1 4.043 0.000 A 9 THR HG2% H 1 1.173 0.000 A 10 CYS H H 1 8.576 0.000 A 10 CYS HA H 1 4.685 0.000 A 10 CYS HBy H 1 3.120 0.000 A 10 CYS HBx H 1 2.714 0.000 A 11 ASN H H 1 11.445 0.000 A 11 ASN HA H 1 4.827 0.000 A 11 ASN HBx H 1 2.851 0.000 A 11 ASN HBy H 1 2.851 0.000 A 11 ASN HD2y H 1 7.690 0.000 A 11 ASN HD2x H 1 6.899 0.000 A 12 THR H H 1 9.679 0.000 A 12 THR HA H 1 4.369 0.000 A 12 THR HG2% H 1 1.377 0.000 A 13 PRO HA H 1 4.308 0.000 A 13 PRO HBy H 1 2.372 0.000 A 13 PRO HBx H 1 2.199 0.000 A 13 PRO HDx H 1 3.759 0.000 A 13 PRO HDy H 1 3.759 0.000 A 13 PRO HGy H 1 2.055 0.000 A 13 PRO HGx H 1 1.957 0.000 A 14 GLY H H 1 8.748 0.000 A 14 GLY HAy H 1 4.229 0.000 A 14 GLY HAx H 1 3.747 0.000 A 15 CYS H H 1 7.712 0.000 A 15 CYS HA H 1 5.331 0.000 A 15 CYS HBy H 1 3.892 0.000 A 15 CYS HBx H 1 2.685 0.000 A 16 SER H H 1 9.548 0.000 A 16 SER HA H 1 4.720 0.000 A 16 SER HBy H 1 3.821 0.000 A 16 SER HBx H 1 3.743 0.000 A 17 CYS H H 1 9.028 0.000 A 17 CYS HA H 1 4.684 0.000 A 17 CYS HBy H 1 3.113 0.000 A 17 CYS HBx H 1 2.783 0.000 A 18 THR H H 1 8.737 0.000 A 18 THR HA H 1 4.498 0.000 A 18 THR HB H 1 4.251 0.000 A 18 THR HG2% H 1 1.227 0.000 A 19 TRP H H 1 7.677 0.000 A 19 TRP HA H 1 4.007 0.000 A 19 TRP HBx H 1 3.264 0.000 A 19 TRP HBy H 1 3.264 0.000 A 19 TRP HD1 H 1 7.417 0.000 A 19 TRP HE1 H 1 10.782 0.000 A 19 TRP HE3 H 1 7.492 0.000 A 19 TRP HH2 H 1 7.118 0.000 A 19 TRP HZ2 H 1 7.653 0.000 A 19 TRP HZ3 H 1 7.013 0.000 A 20 PRO HA H 1 3.323 0.000 A 20 PRO HBy H 1 0.464 0.000 A 20 PRO HBx H 1 -1.074 0.000 A 20 PRO HDx H 1 2.951 0.000 A 20 PRO HDy H 1 3.271 0.000 A 20 PRO HGx H 1 0.820 0.000 A 20 PRO HGy H 1 0.907 0.000 A 21 ILE H H 1 8.646 0.000 A 21 ILE HA H 1 4.249 0.000 A 21 ILE HB H 1 1.727 0.000 A 21 ILE HD1% H 1 0.848 0.000 A 21 ILE HG1y H 1 1.325 0.000 A 21 ILE HG1x H 1 1.131 0.000 A 21 ILE HG2% H 1 0.711 0.000 A 22 CYS H H 1 7.444 0.000 A 22 CYS HA H 1 5.082 0.000 A 22 CYS HBy H 1 3.258 0.000 A 22 CYS HBx H 1 2.790 0.000 A 23 THR H H 1 9.953 0.000 A 23 THR HA H 1 5.065 0.000 A 23 THR HB H 1 3.773 0.000 A 23 THR HG2% H 1 0.891 0.000 A 24 ARG H H 1 8.743 0.000 A 24 ARG HA H 1 4.793 0.000 A 24 ARG HBy H 1 1.735 0.000 A 24 ARG HBx H 1 1.688 0.000 A 24 ARG HDx H 1 3.215 0.000 A 24 ARG HDy H 1 3.215 0.000 A 24 ARG HE H 1 7.011 0.000 A 24 ARG HGx H 1 1.488 0.000 A 24 ARG HGy H 1 1.488 0.000 A 25 ASP H H 1 9.403 0.000 A 25 ASP HA H 1 4.376 0.000 A 25 ASP HBy H 1 3.059 0.000 A 25 ASP HBx H 1 2.805 0.000 A 26 GLY H H 1 8.543 0.000 A 26 GLY HAy H 1 4.212 0.000 A 26 GLY HAx H 1 3.616 0.000 A 27 LEU H H 1 7.799 0.000 A 27 LEU HA H 1 5.103 0.000 A 27 LEU HBy H 1 2.067 0.000 A 27 LEU HBx H 1 1.799 0.000 A 27 LEU HDx% H 1 1.055 0.000 A 27 LEU HDy% H 1 0.983 0.000 A 27 LEU HG H 1 1.395 0.000 A 28 PRO HA H 1 5.096 0.000 A 28 PRO HDy H 1 3.821 0.000 A 28 PRO HDx H 1 3.711 0.000 A 28 PRO HGx H 1 2.553 0.000 A 28 PRO HGy H 1 2.553 0.000 A 29 VAL H H 1 8.014 0.000 A 29 VAL HA H 1 4.663 0.000 A 29 VAL HB H 1 2.639 0.000 A 29 VAL HGx% H 1 0.916 0.000 A 29 VAL HGy% H 1 0.916 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 1 CYS HA A 2 GLY H 1.0 1.80 3.48 2 2 A 2 GLY H A 1 CYS HBy 1.0 1.80 4.45 3 2 A 2 GLY H A 1 CYS HBx 1.0 1.80 4.45 4 3 A 3 GLU H A 1 CYS HBy 1.0 1.80 3.67 5 3 A 3 GLU H A 1 CYS HBx 1.0 1.80 3.67 6 4 A 2 GLY H A 1 CYS HBy 1.0 1.80 4.45 7 5 A 3 GLU H A 1 CYS HBy 1.0 1.80 3.67 8 6 A 3 GLU H A 2 GLY HAx 1.0 1.80 3.52 9 7 A 3 GLU H A 2 GLY HAy 1.0 1.80 3.52 10 8 A 3 GLU HA A 4 THR H 1.0 1.80 2.52 11 9 A 3 GLU H A 3 GLU HBy 1.0 1.80 3.95 12 9 A 3 GLU H A 3 GLU HBx 1.0 1.80 3.95 13 10 A 4 THR H A 3 GLU HBy 1.0 1.80 3.64 14 10 A 4 THR H A 3 GLU HBx 1.0 1.80 3.64 15 11 A 3 GLU H A 3 GLU HBy 1.0 1.80 3.95 16 12 A 4 THR H A 3 GLU HBy 1.0 1.80 3.64 17 13 A 2 GLY H A 3 GLU H 1.0 1.80 3.14 18 14 A 4 THR HA A 22 CYS H 1.0 1.80 3.11 19 15 A 5 CYS HA A 6 PHE H 1.0 1.80 3.02 20 16 A 5 CYS HA A 7 GLY H 1.0 1.80 3.67 21 17 A 5 CYS HA A 8 GLY H 1.0 1.80 3.98 22 18 A 6 PHE H A 5 CYS HBy 1.0 1.80 4.82 23 18 A 6 PHE H A 5 CYS HBx 1.0 1.80 4.82 24 19 A 8 GLY H A 5 CYS HBy 1.0 1.80 4.04 25 19 A 8 GLY H A 5 CYS HBx 1.0 1.80 4.04 26 20 A 6 PHE H A 5 CYS HBy 1.0 1.80 4.82 27 21 A 8 GLY H A 5 CYS HBy 1.0 1.80 4.04 28 22 A 6 PHE H A 5 CYS H 1.0 1.80 3.52 29 23 A 8 GLY H A 6 PHE HA 1.0 1.80 4.54 30 24 A 6 PHE H A 6 PHE HBx 1.0 1.80 4.02 31 24 A 6 PHE H A 6 PHE HBy 1.0 1.80 4.02 32 25 A 7 GLY H A 6 PHE HBx 1.0 1.80 4.46 33 25 A 7 GLY H A 6 PHE HBy 1.0 1.80 4.46 34 26 A 6 PHE H A 7 GLY H 1.0 1.80 3.36 35 27 A 7 GLY H A 8 GLY H 1.0 1.80 3.27 36 28 A 9 THR H A 9 THR HA 1.0 1.80 2.93 37 29 A 9 THR H A 9 THR HB 1.0 1.80 3.24 38 30 A 9 THR HB A 10 CYS H 1.0 0.00 3.50 39 31 A 8 GLY H A 9 THR H 1.0 1.80 3.30 40 32 A 10 CYS HA A 11 ASN H 1.0 1.80 3.05 41 33 A 10 CYS HA A 12 THR H 1.0 1.80 4.11 42 34 A 10 CYS H A 10 CYS HBy 1.0 1.80 3.45 43 34 A 10 CYS H A 10 CYS HBx 1.0 1.80 3.45 44 35 A 11 ASN H A 10 CYS HBy 1.0 1.80 4.07 45 35 A 11 ASN H A 10 CYS HBx 1.0 1.80 4.07 46 36 A 12 THR H A 10 CYS HBy 1.0 1.80 4.01 47 36 A 12 THR H A 10 CYS HBx 1.0 1.80 4.01 48 37 A 10 CYS H A 10 CYS HBy 1.0 1.80 3.45 49 38 A 11 ASN H A 10 CYS HBy 1.0 1.80 4.07 50 39 A 12 THR H A 10 CYS HBy 1.0 1.80 4.01 51 40 A 11 ASN H A 11 ASN HBx 1.0 1.80 4.15 52 40 A 11 ASN H A 11 ASN HBy 1.0 1.80 4.15 53 41 A 12 THR H A 11 ASN HBx 1.0 1.80 4.86 54 41 A 12 THR H A 11 ASN HBy 1.0 1.80 4.86 55 42 A 11 ASN H A 12 THR H 1.0 1.80 3.05 56 43 A 13 PRO HA A 14 GLY H 1.0 1.80 2.56 57 44 A 13 PRO HA A 15 CYS H 1.0 1.80 3.42 58 45 A 14 GLY H A 14 GLY HAx 1.0 0.00 3.00 59 46 A 14 GLY H A 14 GLY HAy 1.0 1.80 2.56 60 47 A 15 CYS HA A 16 SER H 1.0 1.80 2.52 61 48 A 15 CYS HA A 23 THR H 1.0 1.80 4.11 62 49 A 15 CYS H A 15 CYS HBy 1.0 1.80 3.11 63 49 A 15 CYS H A 15 CYS HBx 1.0 1.80 3.11 64 50 A 15 CYS H A 15 CYS HBy 1.0 1.80 3.11 65 51 A 14 GLY H A 15 CYS H 1.0 1.80 3.11 66 52 A 15 CYS H A 16 SER H 1.0 0.00 4.50 67 53 A 16 SER H A 16 SER HBy 1.0 1.80 3.36 68 53 A 16 SER H A 16 SER HBx 1.0 1.80 3.36 69 54 A 16 SER H A 16 SER HBy 1.0 1.80 3.36 70 55 A 16 SER H A 23 THR H 1.0 1.80 3.14 71 56 A 17 CYS HA A 18 THR H 1.0 1.80 2.68 72 57 A 23 THR H A 17 CYS HA 1.0 1.80 3.67 73 58 A 17 CYS H A 17 CYS HBy 1.0 1.80 3.08 74 58 A 17 CYS H A 17 CYS HBx 1.0 1.80 3.08 75 59 A 17 CYS H A 17 CYS HBy 1.0 1.80 3.08 76 60 A 19 TRP HA A 21 ILE H 1.0 1.80 3.14 77 61 A 19 TRP H A 19 TRP HBx 1.0 1.80 3.78 78 61 A 19 TRP H A 19 TRP HBy 1.0 1.80 3.78 79 62 A 19 TRP HA A 20 PRO HA 1.0 1.80 2.83 80 63 A 21 ILE H A 20 PRO HA 1.0 1.80 3.27 81 64 A 5 CYS H A 21 ILE HA 1.0 1.80 3.24 82 65 A 22 CYS H A 21 ILE HA 1.0 1.80 2.62 83 66 A 22 CYS H A 21 ILE HB 1.0 1.80 3.83 84 67 A 16 SER H A 22 CYS HA 1.0 0.00 4.50 85 68 A 23 THR H A 22 CYS HBy 1.0 1.80 3.92 86 68 A 23 THR H A 22 CYS HBx 1.0 1.80 3.92 87 69 A 23 THR H A 22 CYS HBy 1.0 1.80 3.92 88 70 A 22 CYS H A 5 CYS H 1.0 1.80 3.48 89 71 A 22 CYS H A 21 ILE H 1.0 1.80 4.17 90 72 A 22 CYS H A 23 THR H 1.0 0.00 4.50 91 73 A 23 THR H A 23 THR HB 1.0 1.80 3.76 92 74 A 23 THR HB A 26 GLY H 1.0 1.80 3.27 93 75 A 23 THR HB A 27 LEU H 1.0 1.80 3.27 94 76 A 15 CYS HA A 24 ARG HA 1.0 1.80 4.07 95 77 A 16 SER H A 24 ARG HA 1.0 1.80 4.32 96 78 A 26 GLY H A 24 ARG HA 1.0 1.80 4.20 97 79 A 24 ARG H A 24 ARG HBy 1.0 1.80 2.99 98 79 A 24 ARG H A 24 ARG HBx 1.0 1.80 2.99 99 80 A 25 ASP H A 24 ARG HBy 1.0 1.80 3.33 100 80 A 25 ASP H A 24 ARG HBx 1.0 1.80 3.33 101 81 A 24 ARG H A 24 ARG HBy 1.0 0.00 3.50 102 82 A 25 ASP H A 24 ARG HBy 1.0 1.80 3.33 103 83 A 23 THR H A 24 ARG H 1.0 0.00 5.00 104 84 A 24 ARG H A 25 ASP H 1.0 0.00 4.50 105 85 A 26 GLY H A 25 ASP HA 1.0 1.80 3.11 106 86 A 25 ASP H A 25 ASP HBx 1.0 1.80 3.67 107 86 A 25 ASP H A 25 ASP HBy 1.0 1.80 3.67 108 87 A 25 ASP H A 25 ASP HBy 1.0 1.80 3.67 109 88 A 26 GLY H A 25 ASP H 1.0 1.80 3.17 110 89 A 27 LEU H A 27 LEU HBx 1.0 1.80 3.05 111 89 A 27 LEU H A 27 LEU HBy 1.0 1.80 3.05 112 90 A 27 LEU H A 27 LEU HBy 1.0 1.80 3.05 113 91 A 27 LEU H A 24 ARG H 1.0 1.80 3.27 114 92 A 27 LEU H A 25 ASP H 1.0 1.80 4.35 115 93 A 26 GLY H A 27 LEU H 1.0 1.80 3.21 116 94 A 29 VAL H A 28 PRO HA 1.0 1.80 2.65 117 95 A 29 VAL H A 29 VAL HA 1.0 1.80 2.83 118 96 A 29 VAL H A 29 VAL HB 1.0 1.80 3.08 119 97 A 3 GLU H A 3 GLU HGx 1.0 1.80 3.58 120 98 A 3 GLU H A 3 GLU HGy 1.0 1.80 3.58 121 99 A 6 PHE HA A 19 TRP HE1 1.0 1.80 3.11 122 100 A 19 TRP HE1 A 6 PHE HBx 1.0 1.80 6.38 123 100 A 6 PHE HBy A 19 TRP HE1 1.0 1.80 6.38 124 101 A 19 TRP HD1 A 8 GLY HAx 1.0 1.80 4.32 125 102 A 19 TRP HD1 A 8 GLY HAy 1.0 1.80 4.32 126 103 A 8 GLY H A 19 TRP HE1 1.0 1.80 5.25 127 104 A 19 TRP HA A 19 TRP HD1 1.0 1.80 3.52 128 105 A 8 GLY H A 19 TRP HD1 1.0 1.80 4.45 129 106 A 20 PRO HA A 19 TRP HD1 1.0 1.80 4.11 130 107 A 20 PRO HA A 19 TRP HE1 1.0 1.80 5.50 131 108 A 19 TRP HE3 A 20 PRO HBy 1.0 1.80 4.38 132 108 A 19 TRP HE3 A 20 PRO HBx 1.0 1.80 4.38 133 109 A 19 TRP HZ3 A 20 PRO HBy 1.0 1.80 5.16 134 109 A 19 TRP HZ3 A 20 PRO HBx 1.0 1.80 5.16 135 110 A 19 TRP HE3 A 20 PRO HBy 1.0 1.80 4.38 136 111 A 19 TRP HZ3 A 20 PRO HBy 1.0 1.80 5.16 137 112 A 24 ARG HE A 24 ARG HBy 1.0 1.80 3.95 138 112 A 24 ARG HE A 24 ARG HBx 1.0 1.80 3.95 139 113 A 24 ARG HBy A 24 ARG HDx 1.0 1.80 3.99 140 113 A 24 ARG HBx A 24 ARG HDx 1.0 1.80 3.99 141 113 A 24 ARG HDy A 24 ARG HBy 1.0 1.80 3.99 142 113 A 24 ARG HDy A 24 ARG HBx 1.0 1.80 3.99 143 114 A 24 ARG HE A 24 ARG HBy 1.0 1.80 3.95 144 115 A 24 ARG HDy A 24 ARG HBy 1.0 1.80 3.99 145 115 A 24 ARG HBy A 24 ARG HDx 1.0 1.80 3.99 146 116 A 24 ARG H A 24 ARG HDx 1.0 1.80 6.38 147 116 A 24 ARG H A 24 ARG HDy 1.0 1.80 6.38 148 117 A 25 ASP H A 24 ARG HGx 1.0 1.80 6.26 149 117 A 25 ASP H A 24 ARG HGy 1.0 1.80 6.26 150 118 A 27 LEU H A 27 LEU HG 1.0 1.80 3.70 151 119 A 4 THR H A 4 THR HG2% 1.0 1.80 4.60 152 120 A 5 CYS H A 4 THR HG2% 1.0 1.80 4.94 153 121 A 22 CYS H A 4 THR HG2% 1.0 1.80 6.39 154 122 A 9 THR H A 9 THR HG2% 1.0 1.80 5.15 155 123 A 10 CYS H A 9 THR HG2% 1.0 1.80 4.72 156 124 A 12 THR H A 12 THR HG2% 1.0 1.80 5.68 157 125 A 12 THR HG2% A 13 PRO HDx 1.0 1.80 5.45 158 125 A 12 THR HG2% A 13 PRO HDy 1.0 1.80 5.45 159 126 A 15 CYS H A 12 THR HG2% 1.0 1.80 5.81 160 127 A 18 THR H A 18 THR HG2% 1.0 1.80 5.37 161 128 A 19 TRP H A 18 THR HG2% 1.0 1.80 5.56 162 129 A 21 ILE H A 21 ILE HD1% 1.0 1.80 4.69 163 130 A 22 CYS H A 21 ILE HD1% 1.0 1.80 4.85 164 131 A 19 TRP HZ3 A 21 ILE HG2% 1.0 1.80 6.52 165 132 A 22 CYS H A 21 ILE HG2% 1.0 1.80 6.30 166 133 A 23 THR H A 23 THR HG2% 1.0 1.80 4.91 167 134 A 24 ARG H A 23 THR HG2% 1.0 1.80 4.16 168 135 A 26 GLY H A 23 THR HG2% 1.0 1.80 6.24 169 136 A 27 LEU H A 23 THR HG2% 1.0 1.80 4.75 170 137 A 27 LEU H A 27 LEU HDx% 1.0 1.80 5.87 171 138 A 27 LEU H A 27 LEU HDy% 1.0 1.80 5.87 172 139 A 24 ARG HDx A 29 VAL HGx% 1.0 1.80 8.02 173 139 A 24 ARG HDy A 29 VAL HGx% 1.0 1.80 8.02 174 139 A 29 VAL HGy% A 24 ARG HDx 1.0 1.80 8.02 175 139 A 24 ARG HDy A 29 VAL HGy% 1.0 1.80 8.02 176 140 A 29 VAL H A 29 VAL HGx% 1.0 1.80 5.06 177 140 A 29 VAL H A 29 VAL HGy% 1.0 1.80 5.06 178 141 A 1 CYS HBx A 2 GLY HAx 1.0 0.00 4.00 179 141 A 1 CYS HBy A 2 GLY HAx 1.0 0.00 4.00 180 141 A 2 GLY HAy A 1 CYS HBx 1.0 0.00 4.00 181 141 A 1 CYS HBy A 2 GLY HAy 1.0 0.00 4.00 182 142 A 3 GLU H A 1 CYS HBx 1.0 1.80 3.15 183 142 A 3 GLU H A 1 CYS HBy 1.0 1.80 3.15 184 143 A 2 GLY H A 2 GLY HAx 1.0 1.80 2.56 185 143 A 2 GLY H A 2 GLY HAy 1.0 1.80 2.56 186 144 A 3 GLU H A 2 GLY HAx 1.0 1.80 3.04 187 144 A 3 GLU H A 2 GLY HAy 1.0 1.80 3.04 188 145 A 4 THR H A 3 GLU HGy 1.0 1.80 4.12 189 145 A 4 THR H A 3 GLU HGx 1.0 1.80 4.12 190 146 A 3 GLU HGy A 22 CYS HBx 1.0 1.80 4.01 191 146 A 3 GLU HGx A 22 CYS HBx 1.0 1.80 4.01 192 146 A 22 CYS HBy A 3 GLU HGy 1.0 1.80 4.01 193 146 A 3 GLU HGx A 22 CYS HBy 1.0 1.80 4.01 194 147 A 5 CYS H A 5 CYS HBx 1.0 1.80 3.43 195 147 A 5 CYS H A 5 CYS HBy 1.0 1.80 3.43 196 148 A 5 CYS H A 20 PRO HBx 1.0 1.80 5.03 197 148 A 5 CYS H A 20 PRO HBy 1.0 1.80 5.03 198 149 A 6 PHE H A 5 CYS HBx 1.0 1.80 4.07 199 149 A 6 PHE H A 5 CYS HBy 1.0 1.80 4.07 200 150 A 5 CYS HBy A 6 PHE HBx 1.0 1.80 6.16 201 150 A 5 CYS HBx A 6 PHE HBx 1.0 1.80 6.16 202 150 A 6 PHE HBy A 5 CYS HBx 1.0 1.80 6.16 203 150 A 6 PHE HBy A 5 CYS HBy 1.0 1.80 6.16 204 151 A 8 GLY H A 5 CYS HBx 1.0 1.80 3.25 205 151 A 8 GLY H A 5 CYS HBy 1.0 1.80 3.25 206 152 A 9 THR H A 5 CYS HBx 1.0 1.80 3.67 207 152 A 9 THR H A 5 CYS HBy 1.0 1.80 3.67 208 153 A 10 CYS H A 5 CYS HBx 1.0 1.80 5.29 209 153 A 10 CYS H A 5 CYS HBy 1.0 1.80 5.29 210 154 A 8 GLY H A 8 GLY HAx 1.0 1.80 2.54 211 154 A 8 GLY H A 8 GLY HAy 1.0 1.80 2.54 212 155 A 19 TRP HD1 A 8 GLY HAx 1.0 1.80 3.46 213 155 A 19 TRP HD1 A 8 GLY HAy 1.0 1.80 3.46 214 156 A 10 CYS H A 10 CYS HBx 1.0 1.80 2.90 215 156 A 10 CYS H A 10 CYS HBy 1.0 1.80 2.90 216 157 A 11 ASN H A 10 CYS HBx 1.0 1.80 3.42 217 157 A 11 ASN H A 10 CYS HBy 1.0 1.80 3.42 218 158 A 12 THR HG2% A 10 CYS HBx 1.0 1.80 4.87 219 158 A 12 THR HG2% A 10 CYS HBy 1.0 1.80 4.87 220 159 A 14 GLY H A 13 PRO HBy 1.0 1.80 3.26 221 159 A 14 GLY H A 13 PRO HBx 1.0 1.80 3.26 222 160 A 14 GLY H A 13 PRO HGy 1.0 1.80 5.03 223 160 A 14 GLY H A 13 PRO HGx 1.0 1.80 5.03 224 161 A 14 GLY H A 14 GLY HAx 1.0 1.80 2.20 225 161 A 14 GLY H A 14 GLY HAy 1.0 1.80 2.20 226 162 A 15 CYS H A 14 GLY HAx 1.0 1.80 3.09 227 162 A 15 CYS H A 14 GLY HAy 1.0 1.80 3.09 228 163 A 15 CYS H A 15 CYS HBx 1.0 1.80 2.65 229 163 A 15 CYS H A 15 CYS HBy 1.0 1.80 2.65 230 164 A 16 SER H A 15 CYS HBx 1.0 1.80 3.12 231 164 A 16 SER H A 15 CYS HBy 1.0 1.80 3.12 232 165 A 15 CYS HBy A 22 CYS HBx 1.0 1.80 4.59 233 165 A 22 CYS HBy A 15 CYS HBx 1.0 1.80 4.59 234 165 A 22 CYS HBy A 15 CYS HBy 1.0 1.80 4.59 235 165 A 15 CYS HBx A 22 CYS HBx 1.0 1.80 4.59 236 166 A 23 THR H A 15 CYS HBx 1.0 1.80 4.94 237 166 A 23 THR H A 15 CYS HBy 1.0 1.80 4.94 238 167 A 18 THR H A 17 CYS HBx 1.0 1.80 3.67 239 167 A 18 THR H A 17 CYS HBy 1.0 1.80 3.67 240 168 A 19 TRP HD1 A 20 PRO HBx 1.0 1.80 5.34 241 168 A 19 TRP HD1 A 20 PRO HBy 1.0 1.80 5.34 242 169 A 19 TRP HE3 A 20 PRO HBx 1.0 1.80 3.82 243 169 A 19 TRP HE3 A 20 PRO HBy 1.0 1.80 3.82 244 170 A 19 TRP HE3 A 20 PRO HDx 1.0 1.80 3.94 245 170 A 19 TRP HE3 A 20 PRO HDy 1.0 1.80 3.94 246 171 A 19 TRP HE1 A 20 PRO HBx 1.0 1.80 5.34 247 171 A 19 TRP HE1 A 20 PRO HBy 1.0 1.80 5.34 248 172 A 19 TRP HZ3 A 20 PRO HDx 1.0 1.80 5.14 249 172 A 19 TRP HZ3 A 20 PRO HDy 1.0 1.80 5.14 250 173 A 19 TRP HZ2 A 20 PRO HBx 1.0 1.80 5.34 251 173 A 20 PRO HBy A 19 TRP HZ2 1.0 1.80 5.34 252 174 A 19 TRP HH2 A 20 PRO HBx 1.0 1.80 4.57 253 174 A 20 PRO HBy A 19 TRP HH2 1.0 1.80 4.57 254 175 A 21 ILE H A 20 PRO HDx 1.0 1.80 3.18 255 175 A 21 ILE H A 20 PRO HDy 1.0 1.80 3.18 256 176 A 20 PRO HDx A 21 ILE HG1y 1.0 1.80 4.06 257 176 A 20 PRO HDy A 21 ILE HG1y 1.0 1.80 4.06 258 176 A 21 ILE HG1x A 20 PRO HDx 1.0 1.80 4.06 259 176 A 20 PRO HDy A 21 ILE HG1x 1.0 1.80 4.06 260 177 A 21 ILE H A 21 ILE HG1y 1.0 1.80 3.60 261 177 A 21 ILE H A 21 ILE HG1x 1.0 1.80 3.60 262 178 A 22 CYS H A 22 CYS HBx 1.0 1.80 2.65 263 178 A 22 CYS H A 22 CYS HBy 1.0 1.80 2.65 264 179 A 23 THR H A 22 CYS HBx 1.0 1.80 3.33 265 179 A 23 THR H A 22 CYS HBy 1.0 1.80 3.33 266 180 A 24 ARG H A 27 LEU HBy 1.0 1.80 3.79 267 180 A 24 ARG H A 27 LEU HBx 1.0 1.80 3.79 268 181 A 24 ARG HE A 24 ARG HBx 1.0 1.80 3.45 269 181 A 24 ARG HE A 24 ARG HBy 1.0 1.80 3.45 270 182 A 27 LEU H A 25 ASP HBy 1.0 1.80 3.94 271 182 A 27 LEU H A 25 ASP HBx 1.0 1.80 3.94 272 183 A 25 ASP HBx A 27 LEU HDy% 1.0 1.80 6.19 273 183 A 25 ASP HBy A 27 LEU HDy% 1.0 1.80 6.19 274 183 A 27 LEU HDx% A 25 ASP HBy 1.0 1.80 6.19 275 183 A 25 ASP HBx A 27 LEU HDx% 1.0 1.80 6.19 276 184 A 26 GLY H A 26 GLY HAy 1.0 1.80 2.49 277 184 A 26 GLY H A 26 GLY HAx 1.0 1.80 2.49 278 185 A 27 LEU H A 27 LEU HBy 1.0 1.80 2.66 279 185 A 27 LEU H A 27 LEU HBx 1.0 1.80 2.66 280 186 A 27 LEU H A 27 LEU HDy% 1.0 1.80 4.58 281 186 A 27 LEU H A 27 LEU HDx% 1.0 1.80 4.58 282 187 A 2 GLY H A 21 ILE H 1.0 9.19 9.59 283 188 A 2 GLY H A 21 ILE HA 1.0 6.93 7.33 284 189 A 2 GLY H A 22 CYS H 1.0 5.53 6.13 285 190 A 2 GLY H A 22 CYS HA 1.0 7.12 7.52 286 191 A 2 GLY H A 23 THR H 1.0 7.11 7.51 287 192 A 2 GLY H A 23 THR HA 1.0 5.14 5.84 288 193 A 21 ILE HA A 2 GLY HAx 1.0 6.93 7.93 289 193 A 21 ILE HA A 2 GLY HAy 1.0 6.93 7.93 290 194 A 22 CYS H A 2 GLY HAx 1.0 6.06 7.06 291 194 A 22 CYS H A 2 GLY HAy 1.0 6.06 7.06 292 195 A 22 CYS HA A 2 GLY HAx 1.0 8.14 9.04 293 195 A 22 CYS HA A 2 GLY HAy 1.0 8.14 9.04 294 196 A 23 THR H A 2 GLY HAx 1.0 8.41 9.56 295 196 A 23 THR H A 2 GLY HAy 1.0 8.41 9.56 296 197 A 23 THR HA A 2 GLY HAx 1.0 7.10 7.70 297 197 A 2 GLY HAy A 23 THR HA 1.0 7.10 7.70 stop_ save_