data_nef_c15946_2k76 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_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 PRO start . false 2 A 2 PHE middle . . 3 A 3 PRO middle . false 4 A 4 PRO middle . false 5 A 5 THR middle . . 6 A 6 PRO middle . false 7 A 7 PRO middle . false 8 A 8 GLY middle . false 9 A 9 GLU middle . . 10 A 10 GLU middle . . 11 A 11 ALA middle . . 12 A 12 PRO middle . false 13 A 13 VAL middle . . 14 A 14 GLU middle . . 15 A 15 ASP middle . . 16 A 16 LEU middle . . 17 A 17 ILE middle . . 18 A 18 ARG middle . . 19 A 19 PHE middle . . 20 A 20 TYR middle . . 21 A 21 ASN middle . . 22 A 22 ASP middle . . 23 A 23 LEU middle . . 24 A 24 GLN middle . . 25 A 25 GLN middle . . 26 A 26 TYR middle . . 27 A 27 LEU middle . . 28 A 28 ASN middle . . 29 A 29 VAL middle . . 30 A 30 VAL end . . 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 PRO HA H 1 4.236 . A 1 PRO HB2 H 1 1.701 . A 1 PRO HBx H 1 1.701 . A 1 PRO HBy H 1 1.701 . A 1 PRO HD2 H 1 3.398 . A 1 PRO HDx H 1 3.398 . A 1 PRO HDy H 1 3.398 . A 1 PRO HG2 H 1 1.736 . A 1 PRO HGx H 1 1.736 . A 1 PRO HGy H 1 1.736 . A 2 PHE H H 1 8.049 . A 2 PHE HA H 1 4.745 . A 2 PHE HB2 H 1 2.962 . A 2 PHE HB3 H 1 2.689 . A 2 PHE HDx H 1 7.111 . A 2 PHE HDy H 1 7.111 . A 2 PHE HEx H 1 7.104 . A 2 PHE HEy H 1 7.104 . A 3 PRO HDy H 1 3.507 . A 3 PRO HDx H 1 3.377 . A 4 PRO HA H 1 4.386 . A 4 PRO HBx H 1 2.182 . A 4 PRO HBy H 1 2.182 . A 4 PRO HGx H 1 1.908 . A 4 PRO HGy H 1 1.908 . A 5 THR H H 1 8.402 . A 5 THR HA H 1 4.339 . A 5 THR HB H 1 3.807 . A 5 THR HG2% H 1 1.072 . A 6 PRO HA H 1 3.810 . A 6 PRO HBx H 1 1.564 . A 6 PRO HBy H 1 1.564 . A 6 PRO HDx H 1 3.807 . A 6 PRO HDy H 1 3.807 . A 6 PRO HGy H 1 1.783 . A 6 PRO HGx H 1 1.674 . A 7 PRO HA H 1 4.236 . A 7 PRO HB2 H 1 1.701 . A 7 PRO HBx H 1 1.701 . A 7 PRO HBy H 1 1.701 . A 7 PRO HD2 H 1 3.398 . A 7 PRO HDx H 1 3.398 . A 7 PRO HDy H 1 3.398 . A 7 PRO HG2 H 1 1.736 . A 7 PRO HGx H 1 1.736 . A 7 PRO HGy H 1 1.736 . A 8 GLY H H 1 8.174 . A 8 GLY HAy H 1 3.849 . A 8 GLY HAx H 1 3.771 . A 9 GLU H H 1 8.338 . A 9 GLU HA H 1 3.877 . A 9 GLU HBx H 1 2.111 . A 9 GLU HBy H 1 2.111 . A 9 GLU HGx H 1 1.814 . A 9 GLU HGy H 1 1.814 . A 10 GLU H H 1 8.643 . A 10 GLU HA H 1 4.129 . A 10 GLU HBy H 1 2.012 . A 10 GLU HBx H 1 1.763 . A 11 ALA H H 1 7.382 . A 11 ALA HA H 1 4.293 . A 11 ALA HB% H 1 1.243 . A 12 PRO HA H 1 4.447 . A 12 PRO HBy H 1 2.254 . A 12 PRO HBx H 1 1.986 . A 12 PRO HDx H 1 3.670 . A 12 PRO HDy H 1 3.670 . A 12 PRO HGx H 1 1.806 . A 12 PRO HGy H 1 1.806 . A 13 VAL H H 1 8.549 . A 13 VAL HA H 1 3.674 . A 13 VAL HB H 1 1.986 . A 13 VAL HGx% H 1 0.923 . A 13 VAL HGy% H 1 0.829 . A 14 GLU H H 1 9.063 . A 14 GLU HA H 1 3.896 . A 14 GLU HBy H 1 1.986 . A 14 GLU HBx H 1 1.880 . A 14 GLU HGy H 1 2.293 . A 14 GLU HGx H 1 2.158 . A 15 ASP H H 1 7.588 . A 15 ASP HA H 1 4.439 . A 15 ASP HBy H 1 2.689 . A 15 ASP HBx H 1 2.409 . A 16 LEU H H 1 7.593 . A 16 LEU HA H 1 4.033 . A 16 LEU HBy H 1 1.553 . A 16 LEU HBx H 1 1.547 . A 16 LEU HD1% H 1 0.752 . A 16 LEU HD2% H 1 0.752 . A 16 LEU HG H 1 0.752 . A 17 ILE H H 1 8.252 . A 17 ILE HA H 1 3.592 . A 17 ILE HB H 1 1.724 . A 17 ILE HD1% H 1 0.705 . A 17 ILE HG1y H 1 1.579 . A 17 ILE HG1x H 1 0.963 . A 17 ILE HG2% H 1 0.814 . A 18 ARG H H 1 7.499 . A 18 ARG HA H 1 4.002 . A 18 ARG HBx H 1 1.838 . A 18 ARG HBy H 1 1.838 . A 18 ARG HDx H 1 3.149 . A 18 ARG HDy H 1 3.149 . A 18 ARG HE H 1 6.853 . A 18 ARG HGx H 1 1.572 . A 18 ARG HGy H 1 1.721 . A 19 PHE H H 1 7.849 . A 19 PHE HA H 1 4.330 . A 19 PHE HBx H 1 3.041 . A 19 PHE HBy H 1 3.166 . A 19 PHE HD1 H 1 6.979 . A 19 PHE HDx H 1 6.979 . A 19 PHE HDy H 1 6.979 . A 19 PHE HE1 H 1 6.979 . A 19 PHE HEx H 1 6.979 . A 19 PHE HEy H 1 6.979 . A 20 TYR H H 1 8.496 . A 20 TYR HA H 1 3.744 . A 20 TYR HBx H 1 2.876 . A 20 TYR HBy H 1 3.117 . A 20 TYR HDx H 1 6.807 . A 20 TYR HDy H 1 6.807 . A 20 TYR HEx H 1 6.471 . A 20 TYR HEy H 1 6.471 . A 21 ASN H H 1 8.174 . A 21 ASN HA H 1 4.231 . A 21 ASN HBy H 1 2.822 . A 21 ASN HBx H 1 2.697 . A 21 ASN HD2x H 1 6.455 . A 22 ASP H H 1 8.464 . A 22 ASP HA H 1 4.268 . A 22 ASP HBx H 1 2.353 . A 22 ASP HBy H 1 2.353 . A 23 LEU H H 1 8.838 . A 23 LEU HA H 1 3.744 . A 23 LEU HBy H 1 1.478 . A 23 LEU HBx H 1 1.329 . A 23 LEU HDx% H 1 0.814 . A 23 LEU HDy% H 1 0.713 . A 23 LEU HG H 1 1.329 . A 24 GLN H H 1 8.114 . A 24 GLN HA H 1 3.478 . A 24 GLN HBy H 1 2.009 . A 24 GLN HBx H 1 1.924 . A 24 GLN HGy H 1 2.135 . A 24 GLN HGx H 1 2.127 . A 25 GLN H H 1 7.534 . A 25 GLN HA H 1 3.904 . A 25 GLN HBx H 1 1.981 . A 25 GLN HBy H 1 1.994 . A 25 GLN HGy H 1 2.293 . A 25 GLN HGx H 1 2.283 . A 26 TYR H H 1 7.784 . A 26 TYR HA H 1 4.049 . A 26 TYR HBy H 1 2.955 . A 26 TYR HBx H 1 2.923 . A 26 TYR HDy H 1 6.768 . A 26 TYR HDx H 1 6.760 . A 26 TYR HEx H 1 6.424 . A 26 TYR HEy H 1 6.424 . A 27 LEU H H 1 8.363 . A 27 LEU HA H 1 3.643 . A 27 LEU HBy H 1 1.643 . A 27 LEU HBx H 1 1.494 . A 27 LEU HDx% H 1 0.666 . A 27 LEU HDy% H 1 0.478 . A 27 LEU HG H 1 1.119 . A 28 ASN H H 1 7.698 . A 28 ASN HA H 1 4.285 . A 28 ASN HBy H 1 2.666 . A 28 ASN HBx H 1 2.662 . A 29 VAL H H 1 7.471 . A 29 VAL HA H 1 3.771 . A 29 VAL HB H 1 1.935 . A 29 VAL HGx% H 1 0.806 . A 29 VAL HGy% H 1 0.679 . A 30 VAL H H 1 7.588 . A 30 VAL HA H 1 3.756 . A 30 VAL HB H 1 1.722 . A 30 VAL HGx% H 1 0.533 . A 30 VAL HGy% H 1 0.494 . 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 10 GLU HA A 10 GLU HBx 1.0 1.9 3.5 2 2 A 10 GLU HA A 10 GLU HBy 1.0 2.1 3.9 3 3 A 10 GLU HA A 10 GLU H 1.0 1.9 3.5 4 4 A 10 GLU HA A 11 ALA HB% 1.0 2.9 5.3 5 5 A 10 GLU HA A 11 ALA H 1.0 2.4 4.4 6 6 A 10 GLU H A 10 GLU HBy 1.0 2.0 3.6 7 7 A 10 GLU HA A 10 GLU HBy 1.0 1.9 3.5 8 7 A 10 GLU HA A 10 GLU HBx 1.0 1.9 3.5 9 8 A 10 GLU H A 10 GLU HBx 1.0 2.0 3.8 10 9 A 10 GLU H A 11 ALA HB% 1.0 3.5 5.7 11 10 A 10 GLU H A 11 ALA H 1.0 2.1 3.9 12 11 A 11 ALA HB% A 11 ALA HA 1.0 1.6 3.0 13 12 A 11 ALA HA A 12 PRO HDy 1.0 1.9 3.5 14 12 A 11 ALA HA A 12 PRO HDx 1.0 1.9 3.5 15 13 A 11 ALA HB% A 12 PRO HDy 1.0 2.3 4.8 16 13 A 11 ALA HB% A 12 PRO HDx 1.0 2.3 4.8 17 14 A 11 ALA HB% A 13 VAL H 1.0 4.5 7.5 18 15 A 11 ALA HB% A 15 ASP H 1.0 4.0 6.0 19 16 A 11 ALA H A 11 ALA HA 1.0 2.5 4.7 20 17 A 11 ALA HB% A 11 ALA H 1.0 1.8 3.4 21 18 A 12 PRO HA A 12 PRO HBy 1.0 1.8 3.2 22 19 A 12 PRO HA A 12 PRO HDy 1.0 2.2 4.2 23 19 A 12 PRO HDx A 12 PRO HA 1.0 2.2 4.2 24 20 A 12 PRO HA A 12 PRO HGx 1.0 1.9 3.7 25 20 A 12 PRO HA A 12 PRO HGy 1.0 1.9 3.7 26 21 A 13 VAL H A 12 PRO HA 1.0 1.8 3.2 27 22 A 14 GLU H A 12 PRO HBx 1.0 2.0 4.0 28 23 A 12 PRO HA A 12 PRO HBx 1.0 2.5 4.7 29 23 A 12 PRO HA A 12 PRO HBy 1.0 2.5 4.7 30 24 A 12 PRO HA A 12 PRO HBx 1.0 2.6 5.0 31 24 A 12 PRO HA A 12 PRO HBy 1.0 2.6 5.0 32 25 A 12 PRO HBy A 12 PRO HDy 1.0 2.2 4.0 33 25 A 12 PRO HBx A 12 PRO HDy 1.0 2.2 4.0 34 25 A 12 PRO HDx A 12 PRO HBx 1.0 2.2 4.0 35 25 A 12 PRO HDx A 12 PRO HBy 1.0 2.2 4.0 36 26 A 13 VAL H A 12 PRO HBx 1.0 1.7 3.3 37 26 A 13 VAL H A 12 PRO HBy 1.0 1.7 3.3 38 27 A 12 PRO HBy A 12 PRO HDy 1.0 2.4 4.6 39 28 A 12 PRO HDx A 12 PRO HGx 1.0 1.7 3.1 40 28 A 12 PRO HDy A 12 PRO HGx 1.0 1.7 3.1 41 28 A 12 PRO HGy A 12 PRO HDy 1.0 1.7 3.1 42 28 A 12 PRO HDx A 12 PRO HGy 1.0 1.7 3.1 43 29 A 12 PRO HBx A 12 PRO HGx 1.0 2.4 4.4 44 29 A 12 PRO HBy A 12 PRO HGx 1.0 2.4 4.4 45 29 A 12 PRO HGy A 12 PRO HBx 1.0 2.4 4.4 46 29 A 12 PRO HGy A 12 PRO HBy 1.0 2.4 4.4 47 30 A 13 VAL HA A 13 VAL HGx% 1.0 1.9 3.5 48 30 A 13 VAL HA A 13 VAL HGy% 1.0 1.9 3.5 49 31 A 14 GLU H A 13 VAL HA 1.0 2.3 4.3 50 32 A 13 VAL HA A 13 VAL HB 1.0 1.8 3.4 51 33 A 13 VAL HB A 13 VAL HGx% 1.0 1.8 3.4 52 34 A 13 VAL HGy% A 13 VAL HB 1.0 1.7 3.3 53 35 A 13 VAL H A 13 VAL HB 1.0 1.6 3.5 54 36 A 14 GLU H A 13 VAL HGx% 1.0 3.1 4.9 55 37 A 13 VAL HB A 13 VAL HGx% 1.0 1.7 3.1 56 37 A 13 VAL HGy% A 13 VAL HB 1.0 1.7 3.1 57 38 A 13 VAL H A 13 VAL HA 1.0 2.0 3.8 58 39 A 13 VAL H A 13 VAL HGx% 1.0 2.0 3.8 59 40 A 13 VAL H A 13 VAL HGy% 1.0 3.1 4.9 60 41 A 13 VAL H A 14 GLU H 1.0 2.4 4.4 61 42 A 13 VAL H A 16 LEU H 1.0 3.1 5.5 62 43 A 14 GLU HA A 14 GLU HGy 1.0 1.9 3.5 63 43 A 14 GLU HA A 14 GLU HGx 1.0 1.9 3.5 64 44 A 14 GLU HA A 17 ILE HB 1.0 2.6 4.4 65 45 A 14 GLU HA A 17 ILE HD1% 1.0 1.9 3.7 66 46 A 14 GLU HA A 17 ILE HG1x 1.0 2.9 5.1 67 47 A 14 GLU HA A 17 ILE H 1.0 2.5 4.5 68 48 A 14 GLU HA A 18 ARG H 1.0 2.7 5.1 69 49 A 14 GLU HA A 14 GLU HBy 1.0 1.7 3.1 70 49 A 14 GLU HA A 14 GLU HBx 1.0 1.7 3.1 71 50 A 14 GLU HBx A 14 GLU HGy 1.0 1.6 3.0 72 50 A 14 GLU HGx A 14 GLU HBy 1.0 1.6 3.0 73 50 A 14 GLU HGx A 14 GLU HBx 1.0 1.6 3.0 74 50 A 14 GLU HBy A 14 GLU HGy 1.0 1.6 3.0 75 51 A 14 GLU H A 14 GLU HBy 1.0 1.9 3.5 76 51 A 14 GLU H A 14 GLU HBx 1.0 1.9 3.5 77 52 A 14 GLU H A 14 GLU HGy 1.0 2.4 4.4 78 52 A 14 GLU H A 14 GLU HGx 1.0 2.4 4.4 79 53 A 14 GLU H A 14 GLU HA 1.0 2.1 3.9 80 54 A 14 GLU H A 15 ASP HA 1.0 2.6 5.1 81 55 A 15 ASP H A 14 GLU H 1.0 2.1 3.9 82 56 A 14 GLU H A 17 ILE HB 1.0 3.2 5.8 83 57 A 14 GLU H A 18 ARG H 1.0 3.9 7.1 84 58 A 15 ASP HA A 15 ASP HBx 1.0 2.0 3.8 85 58 A 15 ASP HA A 15 ASP HBy 1.0 2.0 3.8 86 59 A 15 ASP H A 15 ASP HA 1.0 2.0 3.6 87 60 A 18 ARG H A 15 ASP HA 1.0 2.7 4.7 88 61 A 15 ASP HA A 19 PHE H 1.0 2.8 5.2 89 62 A 15 ASP H A 15 ASP HBx 1.0 1.8 3.4 90 62 A 15 ASP H A 15 ASP HBy 1.0 1.8 3.4 91 63 A 15 ASP H A 15 ASP HBx 1.0 2.2 4.0 92 64 A 15 ASP H A 15 ASP HBy 1.0 1.9 3.5 93 65 A 16 LEU HA A 16 LEU HBy 1.0 1.7 3.1 94 65 A 16 LEU HA A 16 LEU HBx 1.0 1.7 3.1 95 66 A 16 LEU H A 16 LEU HA 1.0 2.0 3.8 96 67 A 16 LEU HA A 19 PHE HDy 1.0 2.6 5.2 97 68 A 16 LEU H A 16 LEU HBy 1.0 1.7 3.3 98 68 A 16 LEU H A 16 LEU HBx 1.0 1.7 3.3 99 69 A 16 LEU HA A 16 LEU HG 1.0 1.9 3.5 100 70 A 16 LEU H A 17 ILE H 1.0 2.0 3.8 101 71 A 16 LEU H A 19 PHE HBy 1.0 4.1 6.8 102 72 A 18 ARG H A 17 ILE HA 1.0 2.4 4.4 103 73 A 19 PHE H A 17 ILE HA 1.0 3.0 5.6 104 74 A 17 ILE HA A 20 TYR HBy 1.0 2.3 4.5 105 75 A 17 ILE HA A 20 TYR HBx 1.0 1.7 3.8 106 76 A 17 ILE HA A 20 TYR HDy 1.0 2.4 5.2 107 77 A 17 ILE HA A 20 TYR H 1.0 2.5 4.5 108 78 A 17 ILE HA A 21 ASN H 1.0 3.0 5.2 109 79 A 17 ILE HB A 17 ILE HA 1.0 2.0 3.6 110 80 A 17 ILE HD1% A 17 ILE HA 1.0 3.3 5.8 111 81 A 17 ILE HB A 17 ILE HD1% 1.0 1.9 3.8 112 82 A 17 ILE HD1% A 17 ILE H 1.0 2.9 5.1 113 83 A 17 ILE HA A 17 ILE HG1x 1.0 2.0 3.6 114 83 A 17 ILE HA A 17 ILE HG1y 1.0 2.0 3.6 115 84 A 17 ILE HB A 17 ILE HG1x 1.0 2.0 3.6 116 84 A 17 ILE HB A 17 ILE HG1y 1.0 2.0 3.6 117 85 A 17 ILE H A 17 ILE HG1x 1.0 2.2 4.4 118 85 A 17 ILE H A 17 ILE HG1y 1.0 2.2 4.4 119 86 A 18 ARG H A 17 ILE HG1x 1.0 2.9 5.5 120 86 A 18 ARG H A 17 ILE HG1y 1.0 2.9 5.5 121 87 A 17 ILE HA A 17 ILE HG2% 1.0 1.9 3.7 122 88 A 17 ILE HB A 17 ILE HG2% 1.0 1.6 3.0 123 89 A 17 ILE H A 17 ILE HG2% 1.0 2.9 5.5 124 90 A 17 ILE HG2% A 18 ARG HE 1.0 5.0 6.8 125 91 A 17 ILE H A 17 ILE HA 1.0 2.2 4.0 126 92 A 17 ILE HB A 17 ILE H 1.0 1.9 3.5 127 93 A 17 ILE H A 18 ARG H 1.0 2.2 4.0 128 94 A 17 ILE H A 19 PHE H 1.0 2.9 5.5 129 95 A 18 ARG HE A 18 ARG HA 1.0 3.2 6.4 130 96 A 18 ARG HA A 18 ARG HGx 1.0 2.0 3.9 131 97 A 18 ARG H A 18 ARG HA 1.0 1.9 3.5 132 98 A 18 ARG HA A 21 ASN HBx 1.0 2.0 3.8 133 99 A 21 ASN H A 18 ARG HA 1.0 2.8 5.0 134 100 A 18 ARG HA A 22 ASP H 1.0 3.1 5.6 135 101 A 18 ARG HA A 18 ARG HBx 1.0 1.8 3.4 136 101 A 18 ARG HA A 18 ARG HBy 1.0 1.8 3.4 137 102 A 18 ARG HBy A 18 ARG HDx 1.0 2.0 3.6 138 102 A 18 ARG HBx A 18 ARG HDx 1.0 2.0 3.6 139 102 A 18 ARG HDy A 18 ARG HBx 1.0 2.0 3.6 140 102 A 18 ARG HBy A 18 ARG HDy 1.0 2.0 3.6 141 103 A 18 ARG H A 18 ARG HBx 1.0 1.7 3.3 142 103 A 18 ARG H A 18 ARG HBy 1.0 1.7 3.3 143 104 A 18 ARG HA A 18 ARG HDx 1.0 2.4 4.7 144 104 A 18 ARG HA A 18 ARG HDy 1.0 2.4 4.7 145 105 A 18 ARG HE A 18 ARG HDx 1.0 2.2 4.0 146 105 A 18 ARG HE A 18 ARG HDy 1.0 2.2 4.0 147 106 A 18 ARG H A 18 ARG HDx 1.0 2.8 5.6 148 106 A 18 ARG H A 18 ARG HDy 1.0 2.8 5.6 149 107 A 18 ARG H A 18 ARG HE 1.0 2.8 5.1 150 108 A 18 ARG HE A 21 ASN HA 1.0 4.9 7.1 151 109 A 21 ASN H A 18 ARG HE 1.0 4.7 7.3 152 110 A 18 ARG HA A 18 ARG HGy 1.0 2.2 4.0 153 110 A 18 ARG HA A 18 ARG HGx 1.0 2.2 4.0 154 111 A 18 ARG HDy A 18 ARG HGy 1.0 1.8 3.2 155 111 A 18 ARG HDx A 18 ARG HGy 1.0 1.8 3.2 156 111 A 18 ARG HGx A 18 ARG HDx 1.0 1.8 3.2 157 111 A 18 ARG HDy A 18 ARG HGx 1.0 1.8 3.2 158 112 A 18 ARG H A 18 ARG HGy 1.0 1.9 4.5 159 112 A 18 ARG H A 18 ARG HGx 1.0 1.9 4.5 160 113 A 19 PHE H A 18 ARG HGy 1.0 3.6 5.6 161 113 A 19 PHE H A 18 ARG HGx 1.0 3.6 5.6 162 114 A 18 ARG H A 19 PHE HBx 1.0 3.1 5.9 163 115 A 18 ARG H A 19 PHE H 1.0 2.1 3.9 164 116 A 18 ARG H A 21 ASN H 1.0 3.0 5.0 165 117 A 19 PHE HA A 19 PHE HBx 1.0 2.0 3.6 166 117 A 19 PHE HA A 19 PHE HBy 1.0 2.0 3.6 167 118 A 19 PHE HDy A 19 PHE HA 1.0 1.8 3.4 168 118 A 19 PHE HA A 19 PHE HDx 1.0 1.8 3.4 169 119 A 19 PHE H A 19 PHE HA 1.0 2.0 3.8 170 120 A 20 TYR H A 19 PHE HA 1.0 2.9 5.5 171 121 A 22 ASP H A 19 PHE HA 1.0 2.9 5.5 172 122 A 19 PHE HDx A 19 PHE HBx 1.0 1.8 3.4 173 122 A 19 PHE HBy A 19 PHE HDx 1.0 1.8 3.4 174 122 A 19 PHE HDy A 19 PHE HBy 1.0 1.8 3.4 175 122 A 19 PHE HDy A 19 PHE HBx 1.0 1.8 3.4 176 123 A 19 PHE HDy A 20 TYR H 1.0 2.4 4.6 177 124 A 19 PHE HDy A 21 ASN H 1.0 3.0 5.6 178 125 A 19 PHE HDy A 23 LEU HG 1.0 5.4 8.1 179 126 A 19 PHE HDx A 22 ASP HBx 1.0 3.1 5.6 180 127 A 19 PHE HDy A 19 PHE HBy 1.0 1.8 3.4 181 127 A 19 PHE HBy A 19 PHE HDx 1.0 1.8 3.4 182 128 A 19 PHE HDy A 19 PHE HBx 1.0 1.9 3.5 183 128 A 19 PHE HDx A 19 PHE HBx 1.0 1.9 3.5 184 129 A 19 PHE H A 19 PHE HDy 1.0 2.2 4.2 185 129 A 19 PHE H A 19 PHE HDx 1.0 2.2 4.2 186 130 A 19 PHE H A 19 PHE HBy 1.0 2.0 3.6 187 131 A 19 PHE H A 19 PHE HBx 1.0 2.0 3.6 188 131 A 19 PHE H A 19 PHE HBy 1.0 2.0 3.6 189 132 A 19 PHE H A 20 TYR H 1.0 2.2 4.2 190 133 A 19 PHE H A 21 ASN HD2y 1.0 3.2 6.0 191 134 A 19 PHE H A 21 ASN H 1.0 3.4 6.2 192 135 A 1 PRO HA A 1 PRO HBx 1.0 1.8 3.4 193 135 A 1 PRO HA A 1 PRO HBy 1.0 1.8 3.4 194 136 A 20 TYR HA A 23 LEU H 1.0 2.4 4.9 195 137 A 20 TYR HDx A 20 TYR HBy 1.0 1.9 3.5 196 137 A 20 TYR HDy A 20 TYR HBy 1.0 1.9 3.5 197 138 A 21 ASN H A 20 TYR HBy 1.0 2.0 4.0 198 139 A 20 TYR HBx A 20 TYR HBy 1.0 1.7 3.1 199 140 A 20 TYR HBx A 20 TYR HDx 1.0 1.9 3.5 200 140 A 20 TYR HDy A 20 TYR HBx 1.0 1.9 3.5 201 141 A 20 TYR H A 20 TYR HBx 1.0 2.0 3.8 202 142 A 21 ASN H A 20 TYR HBx 1.0 3.0 4.8 203 143 A 20 TYR HA A 20 TYR HBy 1.0 1.9 3.5 204 143 A 20 TYR HA A 20 TYR HBx 1.0 1.9 3.5 205 144 A 20 TYR HDx A 24 GLN HA 1.0 5.2 8.6 206 145 A 20 TYR HDy A 21 ASN HA 1.0 2.5 4.7 207 146 A 20 TYR HDy A 21 ASN HBx 1.0 3.0 5.7 208 147 A 20 TYR HDy A 21 ASN H 1.0 2.2 4.6 209 148 A 20 TYR HA A 20 TYR HDx 1.0 2.0 3.6 210 148 A 20 TYR HDy A 20 TYR HA 1.0 2.0 3.6 211 149 A 20 TYR HDx A 20 TYR HE% 1.0 1.6 3.0 212 149 A 20 TYR HDy A 20 TYR HE% 1.0 1.6 3.0 213 150 A 20 TYR H A 20 TYR HE% 1.0 3.8 7.0 214 151 A 20 TYR H A 20 TYR HA 1.0 2.3 4.3 215 152 A 20 TYR H A 20 TYR HBy 1.0 2.1 3.9 216 153 A 20 TYR H A 20 TYR HDx 1.0 2.4 4.4 217 153 A 20 TYR HDy A 20 TYR H 1.0 2.4 4.4 218 154 A 21 ASN HBx A 21 ASN HA 1.0 1.9 3.7 219 155 A 21 ASN HA A 21 ASN HBy 1.0 2.0 3.6 220 156 A 21 ASN HBx A 21 ASN HBy 1.0 1.5 2.9 221 157 A 21 ASN H A 21 ASN HBx 1.0 2.0 3.8 222 158 A 21 ASN H A 21 ASN HBy 1.0 1.9 3.5 223 159 A 22 ASP H A 21 ASN HBy 1.0 2.2 4.0 224 160 A 21 ASN H A 21 ASN HD2y 1.0 3.0 5.2 225 161 A 21 ASN H A 21 ASN HA 1.0 2.0 3.8 226 162 A 21 ASN H A 21 ASN HD2x 1.0 2.7 5.1 227 163 A 21 ASN H A 22 ASP H 1.0 2.0 3.8 228 164 A 22 ASP H A 22 ASP HA 1.0 1.8 3.4 229 165 A 23 LEU H A 22 ASP HA 1.0 2.4 5.0 230 166 A 22 ASP HA A 25 GLN H 1.0 2.4 4.6 231 167 A 22 ASP HA A 26 TYR H 1.0 3.0 5.7 232 168 A 22 ASP H A 22 ASP HBy 1.0 2.1 3.9 233 169 A 23 LEU H A 22 ASP HBy 1.0 3.1 5.7 234 170 A 22 ASP H A 22 ASP HBx 1.0 1.8 3.4 235 171 A 22 ASP HBx A 23 LEU H 1.0 2.5 4.5 236 172 A 22 ASP H A 23 LEU HBy 1.0 3.7 5.9 237 172 A 22 ASP H A 23 LEU HBx 1.0 3.7 5.9 238 173 A 22 ASP H A 23 LEU H 1.0 2.3 4.3 239 174 A 22 ASP H A 25 GLN H 1.0 3.7 6.9 240 175 A 23 LEU H A 23 LEU HA 1.0 2.5 4.5 241 176 A 23 LEU HA A 24 GLN H 1.0 2.7 4.9 242 177 A 23 LEU HA A 26 TYR HDy 1.0 2.6 5.6 243 178 A 26 TYR H A 23 LEU HA 1.0 2.2 4.2 244 179 A 23 LEU HA A 23 LEU HBy 1.0 1.8 3.4 245 179 A 23 LEU HBx A 23 LEU HA 1.0 1.8 3.4 246 180 A 23 LEU HBy A 24 GLN HBx 1.0 4.3 6.1 247 180 A 23 LEU HBx A 24 GLN HBx 1.0 4.3 6.1 248 180 A 24 GLN HBy A 23 LEU HBy 1.0 4.3 6.1 249 180 A 23 LEU HBx A 24 GLN HBy 1.0 4.3 6.1 250 181 A 23 LEU HDx% A 23 LEU HBy 1.0 2.1 4.2 251 181 A 23 LEU HBx A 23 LEU HDx% 1.0 2.1 4.2 252 182 A 23 LEU H A 23 LEU HDy% 1.0 3.2 6.0 253 182 A 23 LEU H A 23 LEU HDx% 1.0 3.2 6.0 254 183 A 23 LEU HG A 23 LEU H 1.0 3.0 6.0 255 184 A 23 LEU HG A 24 GLN H 1.0 2.7 5.1 256 185 A 23 LEU HG A 26 TYR HDy 1.0 3.2 5.8 257 185 A 23 LEU HG A 26 TYR HDx 1.0 3.2 5.8 258 186 A 23 LEU H A 23 LEU HBy 1.0 2.0 3.8 259 186 A 23 LEU H A 23 LEU HBx 1.0 2.0 3.8 260 187 A 23 LEU H A 24 GLN H 1.0 2.4 4.4 261 188 A 23 LEU H A 26 TYR H 1.0 3.3 6.1 262 189 A 24 GLN HA A 24 GLN HGy 1.0 2.2 4.0 263 189 A 24 GLN HA A 24 GLN HGx 1.0 2.2 4.0 264 190 A 24 GLN HA A 24 GLN H 1.0 2.3 4.3 265 191 A 24 GLN HA A 25 GLN H 1.0 2.6 5.0 266 192 A 24 GLN HA A 26 TYR H 1.0 3.2 6.0 267 193 A 24 GLN HA A 28 ASN HD2x 1.0 3.6 6.8 268 194 A 24 GLN HA A 28 ASN H 1.0 3.1 5.7 269 195 A 24 GLN HA A 24 GLN HBx 1.0 2.1 3.9 270 196 A 24 GLN H A 24 GLN HBx 1.0 2.0 3.8 271 197 A 24 GLN HA A 24 GLN HBy 1.0 2.2 4.0 272 198 A 24 GLN H A 24 GLN HBy 1.0 2.0 3.8 273 199 A 28 ASN HD2x A 24 GLN HGy 1.0 3.7 6.4 274 199 A 24 GLN HGx A 28 ASN HD2x 1.0 3.7 6.4 275 200 A 24 GLN H A 24 GLN HGy 1.0 2.4 4.4 276 200 A 24 GLN H A 24 GLN HGx 1.0 2.4 4.4 277 201 A 25 GLN H A 24 GLN H 1.0 2.3 4.3 278 202 A 26 TYR H A 25 GLN HA 1.0 2.2 4.2 279 203 A 25 GLN HA A 28 ASN HBy 1.0 2.0 4.5 280 204 A 28 ASN HD2x A 25 GLN HA 1.0 3.8 7.3 281 205 A 28 ASN H A 25 GLN HA 1.0 2.3 4.3 282 206 A 25 GLN HA A 25 GLN HBx 1.0 1.7 3.3 283 206 A 25 GLN HA A 25 GLN HBy 1.0 1.7 3.3 284 207 A 25 GLN H A 25 GLN HBx 1.0 1.7 3.1 285 207 A 25 GLN H A 25 GLN HBy 1.0 1.7 3.1 286 208 A 25 GLN H A 25 GLN HGy 1.0 2.8 5.3 287 208 A 25 GLN H A 25 GLN HGx 1.0 2.8 5.3 288 209 A 26 TYR H A 25 GLN HGy 1.0 2.6 4.8 289 209 A 26 TYR H A 25 GLN HGx 1.0 2.6 4.8 290 210 A 28 ASN HD2x A 25 GLN HGy 1.0 3.3 7.1 291 210 A 28 ASN HD2x A 25 GLN HGx 1.0 3.3 7.1 292 211 A 25 GLN H A 25 GLN HA 1.0 2.0 3.8 293 212 A 25 GLN H A 26 TYR H 1.0 2.1 3.9 294 213 A 25 GLN H A 27 LEU H 1.0 3.3 6.1 295 214 A 26 TYR HDy A 26 TYR HA 1.0 1.9 4.0 296 214 A 26 TYR HA A 26 TYR HDx 1.0 1.9 4.0 297 215 A 26 TYR HA A 26 TYR HEx 1.0 4.1 6.5 298 215 A 26 TYR HA A 26 TYR HEy 1.0 4.1 6.5 299 216 A 26 TYR H A 26 TYR HA 1.0 2.0 3.8 300 217 A 27 LEU H A 26 TYR HA 1.0 3.0 5.6 301 218 A 28 ASN H A 26 TYR HA 1.0 3.0 5.6 302 219 A 26 TYR HA A 26 TYR HBx 1.0 2.0 3.8 303 219 A 26 TYR HA A 26 TYR HBy 1.0 2.0 3.8 304 220 A 26 TYR HDy A 26 TYR HBy 1.0 1.6 3.0 305 220 A 26 TYR HBy A 26 TYR HDx 1.0 1.6 3.0 306 220 A 26 TYR HDy A 26 TYR HBx 1.0 1.6 3.0 307 220 A 26 TYR HDx A 26 TYR HBx 1.0 1.6 3.0 308 221 A 26 TYR HEy A 26 TYR HBx 1.0 3.4 6.0 309 221 A 26 TYR HBy A 26 TYR HEy 1.0 3.4 6.0 310 221 A 26 TYR HBy A 26 TYR HEx 1.0 3.4 6.0 311 221 A 26 TYR HEx A 26 TYR HBx 1.0 3.4 6.0 312 222 A 26 TYR H A 26 TYR HBx 1.0 1.7 3.1 313 222 A 26 TYR H A 26 TYR HBy 1.0 1.7 3.1 314 223 A 27 LEU H A 26 TYR HBx 1.0 2.0 3.8 315 223 A 27 LEU H A 26 TYR HBy 1.0 2.0 3.8 316 224 A 26 TYR HDy A 27 LEU HBx 1.0 4.2 6.2 317 224 A 26 TYR HDy A 27 LEU HBy 1.0 4.2 6.2 318 225 A 26 TYR HDy A 27 LEU HDy% 1.0 2.8 5.5 319 226 A 26 TYR HDy A 27 LEU HG 1.0 2.3 4.7 320 227 A 26 TYR HDy A 27 LEU H 1.0 2.3 4.3 321 228 A 26 TYR HDy A 26 TYR HEy 1.0 1.5 2.9 322 228 A 26 TYR HDy A 26 TYR HEx 1.0 1.5 2.9 323 228 A 26 TYR HEx A 26 TYR HDx 1.0 1.5 2.9 324 228 A 26 TYR HDx A 26 TYR HEy 1.0 1.5 2.9 325 229 A 26 TYR HDy A 27 LEU HA 1.0 2.4 4.6 326 229 A 27 LEU HA A 26 TYR HDx 1.0 2.4 4.6 327 230 A 26 TYR HDy A 27 LEU HBy 1.0 3.7 5.7 328 230 A 27 LEU HBy A 26 TYR HDx 1.0 3.7 5.7 329 231 A 27 LEU HA A 26 TYR HEx 1.0 3.0 5.4 330 232 A 26 TYR HEx A 27 LEU HBx 1.0 4.4 7.0 331 233 A 27 LEU HBy A 26 TYR HEx 1.0 4.4 7.0 332 234 A 26 TYR H A 26 TYR HEy 1.0 3.6 6.9 333 234 A 26 TYR H A 26 TYR HEx 1.0 3.6 6.9 334 235 A 26 TYR H A 26 TYR HBx 1.0 1.9 3.5 335 236 A 26 TYR H A 26 TYR HDy 1.0 2.3 4.3 336 236 A 26 TYR H A 26 TYR HDx 1.0 2.3 4.3 337 237 A 26 TYR H A 27 LEU HA 1.0 3.4 6.4 338 238 A 26 TYR H A 27 LEU HBx 1.0 3.9 6.1 339 238 A 26 TYR H A 27 LEU HBy 1.0 3.9 6.1 340 239 A 26 TYR H A 27 LEU HDy% 1.0 4.7 7.3 341 240 A 26 TYR H A 27 LEU HG 1.0 3.4 6.2 342 241 A 26 TYR H A 27 LEU H 1.0 2.2 4.0 343 242 A 26 TYR H A 29 VAL HGx% 1.0 3.9 6.3 344 243 A 27 LEU HA A 28 ASN HA 1.0 3.6 5.0 345 244 A 28 ASN H A 27 LEU HA 1.0 2.6 4.8 346 245 A 27 LEU HA A 30 VAL H 1.0 3.4 6.4 347 246 A 27 LEU HA A 27 LEU HBx 1.0 2.1 3.9 348 247 A 27 LEU H A 27 LEU HBx 1.0 2.0 3.8 349 248 A 28 ASN H A 27 LEU HBx 1.0 2.2 4.0 350 249 A 27 LEU HBy A 27 LEU HA 1.0 2.3 4.3 351 250 A 28 ASN H A 27 LEU HBy 1.0 2.2 4.2 352 251 A 27 LEU HA A 27 LEU HDx% 1.0 3.0 4.7 353 252 A 27 LEU HDx% A 27 LEU HBx 1.0 2.6 4.3 354 253 A 27 LEU HBy A 27 LEU HDx% 1.0 2.0 3.8 355 254 A 27 LEU H A 27 LEU HDx% 1.0 2.8 4.8 356 255 A 28 ASN H A 27 LEU HDx% 1.0 3.9 6.1 357 256 A 27 LEU HDy% A 27 LEU HA 1.0 1.9 3.5 358 257 A 27 LEU HDy% A 27 LEU HBx 1.0 1.8 3.7 359 258 A 27 LEU HBy A 27 LEU HDy% 1.0 2.2 4.6 360 259 A 27 LEU H A 27 LEU HDy% 1.0 2.7 4.9 361 260 A 28 ASN H A 27 LEU HDy% 1.0 3.9 6.1 362 261 A 27 LEU HG A 27 LEU HA 1.0 2.0 3.8 363 262 A 27 LEU HG A 27 LEU HBx 1.0 1.7 3.1 364 263 A 27 LEU HBy A 27 LEU HG 1.0 2.2 4.0 365 264 A 27 LEU H A 27 LEU HG 1.0 2.3 4.1 366 265 A 28 ASN H A 27 LEU HG 1.0 3.0 5.0 367 266 A 27 LEU H A 27 LEU HA 1.0 2.2 4.2 368 267 A 27 LEU H A 27 LEU HBy 1.0 2.0 3.6 369 268 A 28 ASN H A 27 LEU H 1.0 2.2 4.2 370 269 A 27 LEU H A 29 VAL H 1.0 3.3 6.1 371 270 A 27 LEU H A 30 VAL HA 1.0 3.9 5.9 372 271 A 28 ASN HA A 28 ASN HBx 1.0 1.5 2.9 373 271 A 28 ASN HA A 28 ASN HBy 1.0 1.5 2.9 374 272 A 28 ASN HD2x A 28 ASN HA 1.0 2.4 4.4 375 273 A 28 ASN H A 28 ASN HA 1.0 2.0 3.6 376 274 A 28 ASN HA A 29 VAL H 1.0 2.2 4.2 377 275 A 28 ASN HD2x A 28 ASN HBx 1.0 2.0 3.6 378 275 A 28 ASN HD2x A 28 ASN HBy 1.0 2.0 3.6 379 276 A 28 ASN H A 28 ASN HBx 1.0 1.7 3.3 380 276 A 28 ASN H A 28 ASN HBy 1.0 1.7 3.3 381 277 A 29 VAL HA A 28 ASN HBx 1.0 2.9 5.1 382 277 A 28 ASN HBy A 29 VAL HA 1.0 2.9 5.1 383 278 A 28 ASN HD2x A 29 VAL HGy% 1.0 5.2 8.0 384 279 A 28 ASN HD2x A 30 VAL HGy% 1.0 3.9 7.1 385 280 A 28 ASN H A 28 ASN HBx 1.0 1.8 3.6 386 281 A 28 ASN H A 29 VAL HA 1.0 2.9 5.5 387 282 A 28 ASN H A 29 VAL HGy% 1.0 2.9 5.1 388 283 A 28 ASN H A 29 VAL H 1.0 2.1 3.9 389 284 A 29 VAL H A 29 VAL HA 1.0 2.0 3.8 390 285 A 29 VAL HA A 29 VAL HB 1.0 2.0 3.6 391 286 A 29 VAL HB A 29 VAL HGx% 1.0 1.7 3.1 392 287 A 29 VAL HB A 29 VAL HGy% 1.0 1.8 3.2 393 288 A 29 VAL H A 29 VAL HB 1.0 1.9 3.5 394 289 A 29 VAL H A 29 VAL HGy% 1.0 1.9 4.2 395 290 A 29 VAL HA A 29 VAL HGx% 1.0 1.6 3.0 396 290 A 29 VAL HA A 29 VAL HGy% 1.0 1.6 3.0 397 291 A 29 VAL HB A 29 VAL HGx% 1.0 1.6 3.0 398 291 A 29 VAL HB A 29 VAL HGy% 1.0 1.6 3.0 399 292 A 29 VAL H A 30 VAL HB 1.0 2.6 5.2 400 293 A 30 VAL H A 29 VAL H 1.0 2.3 4.3 401 294 A 2 PHE HA A 26 TYR HDx 1.0 3.1 5.9 402 295 A 2 PHE HA A 26 TYR HEy 1.0 2.4 4.8 403 296 A 2 PHE HA A 2 PHE HB3 1.0 2.2 4.2 404 297 A 2 PHE HA A 2 PHE HB2 1.0 2.4 4.4 405 298 A 2 PHE HA A 2 PHE HD% 1.0 2.3 4.3 406 299 A 2 PHE HA A 2 PHE H 1.0 2.3 4.3 407 300 A 2 PHE HA A 3 PRO HDy 1.0 1.9 3.5 408 301 A 2 PHE HA A 3 PRO HDx 1.0 2.0 3.6 409 301 A 2 PHE HA A 3 PRO HDy 1.0 2.0 3.6 410 302 A 2 PHE HB3 A 2 PHE HB2 1.0 1.6 3.0 411 303 A 2 PHE HB3 A 3 PRO HDx 1.0 2.7 4.7 412 304 A 3 PRO HDy A 2 PHE HB3 1.0 2.8 5.2 413 305 A 2 PHE HD% A 2 PHE HB2 1.0 2.1 3.9 414 306 A 2 PHE HB2 A 3 PRO HDx 1.0 2.2 4.4 415 307 A 3 PRO HDy A 2 PHE HB2 1.0 2.5 4.7 416 308 A 2 PHE H A 2 PHE HB2 1.0 2.1 3.9 417 308 A 2 PHE H A 2 PHE HB3 1.0 2.1 3.9 418 309 A 2 PHE HD% A 2 PHE H 1.0 3.1 5.7 419 310 A 2 PHE HD% A 3 PRO HBy 1.0 3.5 6.9 420 310 A 2 PHE HD% A 3 PRO HBx 1.0 3.5 6.9 421 311 A 2 PHE HD% A 3 PRO HDx 1.0 2.2 5.2 422 312 A 2 PHE HD% A 3 PRO HDy 1.0 2.6 5.4 423 313 A 2 PHE H A 2 PHE HE% 1.0 2.7 4.9 424 314 A 26 TYR HDx A 2 PHE H 1.0 4.0 6.2 425 315 A 2 PHE H A 2 PHE HB3 1.0 2.2 4.2 426 316 A 2 PHE H A 2 PHE HB2 1.0 2.5 4.5 427 317 A 2 PHE H A 3 PRO HDx 1.0 3.1 5.9 428 318 A 2 PHE H A 3 PRO HDy 1.0 3.6 6.0 429 319 A 30 VAL HA A 30 VAL HB 1.0 1.7 3.3 430 320 A 30 VAL H A 30 VAL HB 1.0 1.9 3.7 431 321 A 30 VAL H A 30 VAL HGy% 1.0 1.9 3.5 432 322 A 30 VAL HA A 30 VAL HGx% 1.0 1.7 3.3 433 322 A 30 VAL HA A 30 VAL HGy% 1.0 1.7 3.3 434 323 A 30 VAL H A 30 VAL HA 1.0 2.0 3.6 435 324 A 3 PRO HBy A 3 PRO HDx 1.0 2.3 4.3 436 325 A 3 PRO HDy A 3 PRO HBy 1.0 1.5 3.9 437 326 A 3 PRO HDy A 3 PRO HBx 1.0 2.2 4.0 438 327 A 26 TYR HEy A 3 PRO HDx 1.0 3.1 5.3 439 328 A 3 PRO HDy A 3 PRO HDx 1.0 1.7 3.1 440 329 A 3 PRO HGy A 3 PRO HDx 1.0 2.2 4.0 441 329 A 3 PRO HDx A 3 PRO HGx 1.0 2.2 4.0 442 330 A 3 PRO HDy A 3 PRO HGy 1.0 2.2 4.2 443 330 A 3 PRO HDy A 3 PRO HGx 1.0 2.2 4.2 444 331 A 4 PRO HA A 4 PRO HBy 1.0 1.8 3.2 445 331 A 4 PRO HA A 4 PRO HBx 1.0 1.8 3.2 446 332 A 22 ASP H A 4 PRO HBy 1.0 2.9 5.1 447 333 A 19 PHE HDx A 4 PRO HBy 1.0 2.7 4.9 448 333 A 19 PHE HDx A 4 PRO HBx 1.0 2.7 4.9 449 334 A 23 LEU HDx% A 4 PRO HBx 1.0 4.5 7.4 450 334 A 23 LEU HDx% A 4 PRO HBy 1.0 4.5 7.4 451 335 A 5 THR H A 4 PRO HBy 1.0 2.3 4.3 452 335 A 4 PRO HBx A 5 THR H 1.0 2.3 4.3 453 336 A 23 LEU H A 4 PRO HGx 1.0 2.8 5.4 454 336 A 23 LEU H A 4 PRO HGy 1.0 2.8 5.4 455 337 A 4 PRO HA A 4 PRO HGx 1.0 2.6 4.8 456 337 A 4 PRO HA A 4 PRO HGy 1.0 2.6 4.8 457 338 A 4 PRO HBy A 4 PRO HGx 1.0 1.3 2.5 458 338 A 4 PRO HBx A 4 PRO HGx 1.0 1.3 2.5 459 338 A 4 PRO HGy A 4 PRO HBy 1.0 1.3 2.5 460 338 A 4 PRO HBx A 4 PRO HGy 1.0 1.3 2.5 461 339 A 5 THR HA A 5 THR HB 1.0 1.7 3.1 462 340 A 5 THR H A 5 THR HA 1.0 1.7 3.1 463 341 A 5 THR H A 5 THR HB 1.0 1.8 3.7 464 342 A 5 THR HA A 5 THR HG1 1.0 2.4 4.4 465 343 A 5 THR HB A 5 THR HG1 1.0 1.7 3.1 466 344 A 5 THR H A 5 THR HG1 1.0 2.3 4.3 467 345 A 5 THR HG2% A 6 PRO HA 1.0 3.2 6.2 468 346 A 19 PHE HDx A 5 THR H 1.0 2.7 5.1 469 347 A 5 THR H A 6 PRO HDy 1.0 2.7 5.1 470 347 A 5 THR H A 6 PRO HDx 1.0 2.7 5.1 471 348 A 19 PHE HDx A 6 PRO HA 1.0 2.4 4.9 472 349 A 6 PRO HA A 6 PRO HBx 1.0 2.5 4.7 473 349 A 6 PRO HA A 6 PRO HBy 1.0 2.5 4.7 474 350 A 6 PRO HA A 6 PRO HDy 1.0 1.6 3.4 475 351 A 6 PRO HA A 6 PRO HGy 1.0 2.0 3.8 476 351 A 6 PRO HA A 6 PRO HGx 1.0 2.0 3.8 477 352 A 11 ALA HB% A 7 PRO HA 1.0 3.0 5.6 478 353 A 7 PRO HA A 7 PRO HDx 1.0 2.7 5.1 479 353 A 7 PRO HA A 7 PRO HDy 1.0 2.7 5.1 480 354 A 11 ALA HB% A 7 PRO HBx 1.0 1.9 3.5 481 354 A 11 ALA HB% A 7 PRO HBy 1.0 1.9 3.5 482 355 A 7 PRO HBx A 15 ASP HBx 1.0 2.8 5.5 483 355 A 7 PRO HBy A 15 ASP HBx 1.0 2.8 5.5 484 355 A 15 ASP HBy A 7 PRO HBx 1.0 2.8 5.5 485 355 A 15 ASP HBy A 7 PRO HBy 1.0 2.8 5.5 486 356 A 7 PRO HA A 7 PRO HBx 1.0 2.0 3.6 487 356 A 7 PRO HA A 7 PRO HBy 1.0 2.0 3.6 488 357 A 7 PRO HBy A 7 PRO HDx 1.0 2.2 3.8 489 357 A 7 PRO HBx A 7 PRO HDx 1.0 2.2 3.8 490 357 A 7 PRO HDy A 7 PRO HBx 1.0 2.2 3.8 491 357 A 7 PRO HDy A 7 PRO HBy 1.0 2.2 3.8 492 358 A 7 PRO HBy A 7 PRO HGx 1.0 1.4 2.6 493 358 A 7 PRO HBx A 7 PRO HGx 1.0 1.4 2.6 494 358 A 7 PRO HGy A 7 PRO HBx 1.0 1.4 2.6 495 358 A 7 PRO HBy A 7 PRO HGy 1.0 1.4 2.6 496 359 A 7 PRO HA A 7 PRO HGx 1.0 2.2 4.0 497 360 A 11 ALA HB% A 7 PRO HGx 1.0 3.1 4.8 498 360 A 11 ALA HB% A 7 PRO HGy 1.0 3.1 4.8 499 361 A 7 PRO HGx A 15 ASP HBx 1.0 2.8 5.6 500 361 A 7 PRO HGy A 15 ASP HBx 1.0 2.8 5.6 501 361 A 15 ASP HBy A 7 PRO HGx 1.0 2.8 5.6 502 361 A 15 ASP HBy A 7 PRO HGy 1.0 2.8 5.6 503 362 A 7 PRO HDx A 7 PRO HGx 1.0 2.0 3.6 504 362 A 7 PRO HDy A 7 PRO HGx 1.0 2.0 3.6 505 362 A 7 PRO HGy A 7 PRO HDx 1.0 2.0 3.6 506 362 A 7 PRO HDy A 7 PRO HGy 1.0 2.0 3.6 507 363 A 9 GLU H A 8 GLY HAx 1.0 1.7 3.3 508 364 A 10 GLU H A 8 GLY HAy 1.0 2.4 4.8 509 365 A 9 GLU H A 8 GLY HAy 1.0 2.0 3.6 510 366 A 8 GLY H A 8 GLY HAx 1.0 1.8 3.4 511 366 A 8 GLY HAy A 8 GLY H 1.0 1.8 3.4 512 367 A 9 GLU H A 8 GLY HAx 1.0 2.2 4.0 513 367 A 9 GLU H A 8 GLY HAy 1.0 2.2 4.0 514 368 A 11 ALA HB% A 8 GLY H 1.0 2.2 4.2 515 369 A 10 GLU H A 9 GLU HA 1.0 1.9 3.5 516 370 A 9 GLU HA A 9 GLU HBx 1.0 2.1 3.9 517 370 A 9 GLU HA A 9 GLU HBy 1.0 2.1 3.9 518 371 A 9 GLU HA A 9 GLU HGx 1.0 1.8 3.4 519 371 A 9 GLU HA A 9 GLU HGy 1.0 1.8 3.4 520 372 A 9 GLU HBx A 9 GLU HGx 1.0 1.6 3.0 521 372 A 9 GLU HBy A 9 GLU HGx 1.0 1.6 3.0 522 372 A 9 GLU HGy A 9 GLU HBx 1.0 1.6 3.0 523 372 A 9 GLU HBy A 9 GLU HGy 1.0 1.6 3.0 524 373 A 10 GLU H A 9 GLU H 1.0 2.2 4.2 525 374 A 9 GLU H A 9 GLU HA 1.0 2.2 4.0 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 17 ILE N A 13 VAL O 1.0 2.4 3.3 2 2 A 17 ILE H A 13 VAL O 1.0 1.4 2.3 3 3 A 18 ARG N A 14 GLU O 1.0 2.4 3.3 4 4 A 18 ARG H A 14 GLU O 1.0 1.4 2.3 5 5 A 19 PHE N A 15 ASP O 1.0 2.4 3.3 6 6 A 19 PHE H A 15 ASP O 1.0 1.4 2.3 7 7 A 20 TYR N A 16 LEU O 1.0 2.4 3.3 8 8 A 20 TYR H A 16 LEU O 1.0 1.4 2.3 9 9 A 21 ASN N A 17 ILE O 1.0 2.4 3.3 10 10 A 21 ASN H A 17 ILE O 1.0 1.4 2.3 11 11 A 22 ASP N A 18 ARG O 1.0 2.4 3.3 12 12 A 22 ASP H A 18 ARG O 1.0 1.4 2.3 13 13 A 23 LEU N A 19 PHE O 1.0 2.4 3.3 14 14 A 23 LEU H A 19 PHE O 1.0 1.4 2.3 15 15 A 24 GLN N A 20 TYR O 1.0 2.4 3.3 16 16 A 24 GLN H A 20 TYR O 1.0 1.4 2.3 17 17 A 25 GLN N A 21 ASN O 1.0 2.4 3.3 18 18 A 25 GLN H A 21 ASN O 1.0 1.4 2.3 19 19 A 26 TYR N A 22 ASP O 1.0 2.4 3.3 20 20 A 26 TYR H A 22 ASP O 1.0 1.4 2.3 21 21 A 27 LEU N A 23 LEU O 1.0 2.4 3.3 22 22 A 27 LEU H A 23 LEU O 1.0 1.4 2.3 23 23 A 28 ASN N A 24 GLN O 1.0 2.4 3.3 24 24 A 28 ASN H A 24 GLN O 1.0 1.4 2.3 25 25 A 29 VAL N A 25 GLN O 1.0 2.4 3.3 26 26 A 29 VAL H A 25 GLN O 1.0 1.4 2.3 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 PRO C A 2 PHE N A 2 PHE CA A 2 PHE C 1.0 -159.00 -55.00 PHI 2 2 A 3 PRO C A 4 PRO N A 4 PRO CA A 4 PRO C 1.0 -81.00 -53.00 PHI 3 3 A 4 PRO C A 5 THR N A 5 THR CA A 5 THR C 1.0 -126.00 -74.00 PHI 4 4 A 5 THR C A 6 PRO N A 6 PRO CA A 6 PRO C 1.0 -86.00 -54.00 PHI 5 5 A 8 GLY C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -73.00 -57.00 PHI 6 6 A 9 GLU C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -83.00 -47.00 PHI 7 7 A 10 GLU C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -189.00 -17.00 PHI 8 8 A 11 ALA C A 12 PRO N A 12 PRO CA A 12 PRO C 1.0 -72.00 -44.00 PHI 9 9 A 12 PRO C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -65.00 -37.00 PHI 10 10 A 13 VAL C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -69.00 -53.00 PHI 11 11 A 14 GLU C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -84.47 -51.43 PHI 12 12 A 15 ASP C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -75.81 -55.45 PHI 13 13 A 16 LEU C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -74.85 -52.53 PHI 14 14 A 17 ILE C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -71.18 -55.46 PHI 15 15 A 18 ARG C A 19 PHE N A 19 PHE CA A 19 PHE C 1.0 -71.59 -54.99 PHI 16 16 A 19 PHE C A 20 TYR N A 20 TYR CA A 20 TYR C 1.0 -69.66 -57.82 PHI 17 17 A 20 TYR C A 21 ASN N A 21 ASN CA A 21 ASN C 1.0 -68.84 -47.32 PHI 18 18 A 21 ASN C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -95.45 -39.45 PHI 19 19 A 22 ASP C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -70.17 -50.61 PHI 20 20 A 23 LEU C A 24 GLN N A 24 GLN CA A 24 GLN C 1.0 -69.59 -54.39 PHI 21 21 A 24 GLN C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -70.63 -54.39 PHI 22 22 A 25 GLN C A 26 TYR N A 26 TYR CA A 26 TYR C 1.0 -70.17 -55.85 PHI 23 23 A 26 TYR C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -77.88 -43.76 PHI 24 24 A 27 LEU C A 28 ASN N A 28 ASN CA A 28 ASN C 1.0 -78.00 -54.00 PHI 25 25 A 28 ASN C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -86.00 -50.00 PHI 26 26 A 2 PHE N A 2 PHE CA A 2 PHE C A 3 PRO N 1.0 72.00 192.00 PSI 27 27 A 4 PRO N A 4 PRO CA A 4 PRO C A 5 THR N 1.0 121.00 169.00 PSI 28 28 A 5 THR N A 5 THR CA A 5 THR C A 6 PRO N 1.0 80.00 192.00 PSI 29 29 A 6 PRO N A 6 PRO CA A 6 PRO C A 7 PRO N 1.0 153.00 169.00 PSI 30 30 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 GLU N 1.0 -53.00 -29.00 PSI 31 31 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 PRO N 1.0 104.00 180.00 PSI 32 32 A 12 PRO N A 12 PRO CA A 12 PRO C A 13 VAL N 1.0 125.00 161.00 PSI 33 33 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 GLU N 1.0 -58.00 -14.00 PSI 34 34 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 ASP N 1.0 -50.00 -26.00 PSI 35 35 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 LEU N 1.0 -72.87 12.81 PSI 36 36 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 ILE N 1.0 -51.66 -29.50 PSI 37 37 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 ARG N 1.0 -53.53 -29.49 PSI 38 38 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 PHE N 1.0 -62.06 -15.30 PSI 39 39 A 19 PHE N A 19 PHE CA A 19 PHE C A 20 TYR N 1.0 -59.18 -32.30 PSI 40 40 A 20 TYR N A 20 TYR CA A 20 TYR C A 21 ASN N 1.0 -54.77 -20.73 PSI 41 41 A 21 ASN N A 21 ASN CA A 21 ASN C A 22 ASP N 1.0 -52.16 -33.72 PSI 42 42 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 LEU N 1.0 -76.53 4.03 PSI 43 43 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 GLN N 1.0 -58.40 -29.00 PSI 44 44 A 24 GLN N A 24 GLN CA A 24 GLN C A 25 GLN N 1.0 -48.64 -33.40 PSI 45 45 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 TYR N 1.0 -58.66 -25.26 PSI 46 46 A 26 TYR N A 26 TYR CA A 26 TYR C A 27 LEU N 1.0 -60.51 -32.63 PSI 47 47 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 ASN N 1.0 -50.69 -27.97 PSI 48 48 A 28 ASN N A 28 ASN CA A 28 ASN C A 29 VAL N 1.0 -61.00 -17.00 PSI 49 49 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 VAL N 1.0 -59.00 -31.00 PSI stop_ save_