data_nef_c18519_2luf 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 SER start . . 2 A 2 PRO middle . false 3 A 3 PRO middle . false 4 A 4 PRO middle . false 5 A 5 ARG middle . . 6 A 6 GLY middle . false 7 A 7 SER middle . . 8 A 8 SER middle . . 9 A 9 PRO middle . false 10 A 10 GLY middle . false 11 A 11 GLY middle . false 12 A 12 ASP middle . . 13 A 13 LYS middle . . 14 A 14 LEU middle . . 15 A 15 TRP middle . . 16 A 16 GLN middle . . 17 A 17 ILE middle . . 18 A 18 TYR middle . . 19 A 19 LEU middle . . 20 A 20 ASN 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 SER HA H 1 3.770 . A 1 SER HBx H 1 3.468 . A 1 SER HBy H 1 3.550 . A 2 PRO HA H 1 4.245 . A 2 PRO HBx H 1 1.388 . A 2 PRO HBy H 1 1.856 . A 2 PRO HDx H 1 3.007 . A 2 PRO HDy H 1 3.159 . A 2 PRO HGx H 1 1.447 . A 2 PRO HGy H 1 1.447 . A 3 PRO HA H 1 4.289 . A 3 PRO HBx H 1 1.536 . A 3 PRO HBy H 1 1.939 . A 3 PRO HDx H 1 3.117 . A 3 PRO HDy H 1 3.355 . A 3 PRO HGx H 1 1.653 . A 3 PRO HGy H 1 1.653 . A 4 PRO HA H 1 4.069 . A 4 PRO HBx H 1 1.521 . A 4 PRO HBy H 1 1.942 . A 4 PRO HDx H 1 3.190 . A 4 PRO HDy H 1 3.404 . A 4 PRO HGx H 1 1.661 . A 4 PRO HGy H 1 1.661 . A 5 ARG H H 1 8.119 . A 5 ARG HA H 1 3.836 . A 5 ARG HBx H 1 1.239 . A 5 ARG HBy H 1 1.384 . A 5 ARG HDx H 1 2.638 . A 5 ARG HDy H 1 2.638 . A 5 ARG HE H 1 6.802 . A 5 ARG HGx H 1 1.134 . A 5 ARG HGy H 1 1.134 . A 6 GLY H H 1 8.694 . A 6 GLY HAx H 1 3.604 . A 6 GLY HAy H 1 3.694 . A 7 SER H H 1 7.866 . A 7 SER HA H 1 4.134 . A 7 SER HBx H 1 3.506 . A 7 SER HBy H 1 3.579 . A 8 SER H H 1 7.904 . A 8 SER HA H 1 4.494 . A 8 SER HBx H 1 3.576 . A 8 SER HBy H 1 3.576 . A 9 PRO HA H 1 4.057 . A 9 PRO HBx H 1 1.619 . A 9 PRO HBy H 1 1.983 . A 9 PRO HDx H 1 3.413 . A 9 PRO HDy H 1 3.481 . A 9 PRO HGx H 1 1.755 . A 9 PRO HGy H 1 1.755 . A 10 GLY H H 1 8.168 . A 10 GLY HAx H 1 3.589 . A 10 GLY HAy H 1 3.589 . A 11 GLY H H 1 7.907 . A 11 GLY HAx H 1 3.567 . A 11 GLY HAy H 1 3.666 . A 12 ASP H H 1 8.095 . A 12 ASP HA H 1 4.308 . A 12 ASP HBx H 1 2.434 . A 12 ASP HBy H 1 2.434 . A 13 LYS H H 1 7.740 . A 13 LYS HA H 1 3.841 . A 13 LYS HBx H 1 1.551 . A 13 LYS HBy H 1 1.551 . A 13 LYS HDx H 1 1.374 . A 13 LYS HDy H 1 1.374 . A 13 LYS HEx H 1 2.636 . A 13 LYS HEy H 1 2.636 . A 13 LYS HGx H 1 1.150 . A 13 LYS HGy H 1 1.213 . A 14 LEU H H 1 7.595 . A 14 LEU HA H 1 3.781 . A 14 LEU HBx H 1 1.242 . A 14 LEU HBy H 1 1.442 . A 14 LEU HDx% H 1 0.494 . A 14 LEU HDy% H 1 0.562 . A 14 LEU HG H 1 1.325 . A 15 TRP H H 1 7.627 . A 15 TRP HA H 1 4.084 . A 15 TRP HBx H 1 3.046 . A 15 TRP HBy H 1 3.046 . A 15 TRP HD1 H 1 6.978 . A 15 TRP HE1 H 1 9.727 . A 15 TRP HE3 H 1 7.223 . A 15 TRP HH2 H 1 6.847 . A 15 TRP HZ2 H 1 7.086 . A 15 TRP HZ3 H 1 6.675 . A 16 GLN H H 1 7.522 . A 16 GLN HA H 1 3.529 . A 16 GLN HBx H 1 1.795 . A 16 GLN HBy H 1 1.795 . A 16 GLN HE2x H 1 6.445 . A 16 GLN HE2y H 1 6.940 . A 16 GLN HGx H 1 1.920 . A 16 GLN HGy H 1 1.920 . A 17 ILE H H 1 7.592 . A 17 ILE HA H 1 3.363 . A 17 ILE HB H 1 1.635 . A 17 ILE HD1% H 1 0.496 . A 17 ILE HG1x H 1 0.749 . A 17 ILE HG1y H 1 1.373 . A 17 ILE HG2% H 1 0.487 . A 18 TYR H H 1 7.939 . A 18 TYR HA H 1 3.853 . A 18 TYR HBx H 1 2.715 . A 18 TYR HBy H 1 2.715 . A 18 TYR HDx H 1 6.587 . A 18 TYR HDy H 1 6.587 . A 18 TYR HEx H 1 6.397 . A 18 TYR HEy H 1 6.397 . A 19 LEU H H 1 8.001 . A 19 LEU HA H 1 3.618 . A 19 LEU HBx H 1 1.390 . A 19 LEU HBy H 1 1.390 . A 19 LEU HDx% H 1 0.506 . A 19 LEU HDy% H 1 0.507 . A 19 LEU HG H 1 1.099 . A 20 ASN H H 1 7.394 . A 20 ASN HA H 1 4.218 . A 20 ASN HBx H 1 2.416 . A 20 ASN HBy H 1 2.453 . A 20 ASN HD2y H 1 7.393 . A 20 ASN HD2x H 1 6.478 . 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 6 GLY H A 6 GLY HAy 1.0 1.882 5.170 2 2 A 6 GLY H A 6 GLY HAx 1.0 1.858 5.010 3 3 A 5 ARG H A 5 ARG HA 1.0 1.785 4.595 4 4 A 7 SER H A 7 SER HA 1.0 1.770 4.518 5 5 A 13 LYS H A 13 LYS HA 1.0 1.720 4.288 6 6 A 15 TRP H A 15 TRP HA 1.0 1.729 4.327 7 7 A 14 LEU H A 14 LEU HA 1.0 1.656 4.026 8 8 A 16 GLN H A 16 GLN HA 1.0 1.724 4.304 9 9 A 15 TRP HE1 A 15 TRP HD1 1.0 1.528 3.586 10 10 A 15 TRP HE1 A 15 TRP HZ2 1.0 1.666 4.066 11 11 A 15 TRP HZ3 A 15 TRP HE3 1.0 1.577 3.745 12 12 A 20 ASN HD2y A 20 ASN HD2x 1.0 1.418 3.268 13 13 A 14 LEU HG A 14 LEU HDy% 1.0 1.674 4.096 14 14 A 14 LEU HG A 14 LEU HDx% 1.0 1.567 3.711 15 15 A 14 LEU HDy% A 14 LEU HBx 1.0 1.741 4.383 16 16 A 14 LEU HDx% A 14 LEU HBx 1.0 1.669 4.077 17 17 A 14 LEU HDy% A 14 LEU HDx% 1.0 1.426 3.290 18 18 A 14 LEU HA A 14 LEU HDx% 1.0 1.533 3.603 19 19 A 14 LEU HA A 14 LEU HDy% 1.0 1.732 4.340 20 20 A 19 LEU HA A 19 LEU HDy% 1.0 1.547 3.647 21 21 A 19 LEU HBy A 19 LEU HDx% 1.0 1.431 3.301 22 22 A 19 LEU HBy A 19 LEU HG 1.0 1.520 3.558 23 23 A 20 ASN HD2x A 20 ASN HBx 1.0 1.919 5.471 24 24 A 20 ASN HD2y A 20 ASN HBy 1.0 1.640 3.966 25 25 A 20 ASN HD2y A 20 ASN HBx 1.0 1.668 4.072 26 26 A 19 LEU HA A 19 LEU H 1.0 1.748 4.410 27 27 A 19 LEU HBy A 19 LEU H 1.0 1.644 3.980 28 28 A 19 LEU HG A 19 LEU H 1.0 1.817 4.761 29 29 A 19 LEU HA A 19 LEU HBy 1.0 1.733 4.345 30 30 A 19 LEU HA A 19 LEU HG 1.0 1.790 4.616 31 31 A 19 LEU HDx% A 19 LEU HG 1.0 1.603 3.833 32 32 A 20 ASN HBy A 18 TYR H 1.0 1.961 5.923 33 33 A 17 ILE HA A 17 ILE HB 1.0 1.602 3.830 34 34 A 14 LEU H A 14 LEU HDx% 1.0 1.635 3.947 35 35 A 14 LEU H A 14 LEU HBy 1.0 1.740 4.376 36 36 A 14 LEU H A 14 LEU HBx 1.0 1.699 4.195 37 37 A 17 ILE HB A 17 ILE HG1y 1.0 1.836 4.872 38 38 A 17 ILE HG1y A 17 ILE HG1x 1.0 1.617 3.883 39 39 A 17 ILE HA A 17 ILE HG1y 1.0 1.755 4.445 40 40 A 14 LEU HBx A 14 LEU HBy 1.0 1.580 3.754 41 41 A 16 GLN H A 16 GLN HGy 1.0 1.765 4.495 42 42 A 16 GLN H A 16 GLN HBy 1.0 1.668 4.072 43 43 A 16 GLN HA A 16 GLN HBy 1.0 1.659 4.037 44 44 A 16 GLN HA A 16 GLN HGy 1.0 1.749 4.417 45 45 A 16 GLN HGy A 16 GLN HBy 1.0 1.559 3.683 46 46 A 15 TRP H A 15 TRP HBy 1.0 1.659 4.037 47 47 A 15 TRP HBy A 12 ASP HBx 1.0 1.937 5.639 48 47 A 15 TRP HBy A 12 ASP HBy 1.0 1.937 5.639 49 48 A 15 TRP HBy A 12 ASP HBy 1.0 1.903 5.339 50 49 A 15 TRP HA A 15 TRP HBy 1.0 1.704 4.216 51 50 A 14 LEU HA A 14 LEU HBx 1.0 1.738 4.364 52 51 A 14 LEU HA A 14 LEU HBy 1.0 1.746 4.404 53 52 A 13 LYS H A 13 LYS HBy 1.0 1.641 3.971 54 53 A 13 LYS H A 13 LYS HGy 1.0 1.899 5.299 55 54 A 13 LYS HBy A 13 LYS HGx 1.0 1.732 4.338 56 55 A 13 LYS HGy A 13 LYS HGx 1.0 1.541 3.625 57 56 A 15 TRP HA A 15 TRP HD1 1.0 1.819 4.775 58 57 A 6 GLY H A 5 ARG HA 1.0 1.743 4.387 59 58 A 18 TYR H A 17 ILE HA 1.0 1.873 5.111 60 59 A 16 GLN HA A 19 LEU H 1.0 1.857 5.005 61 60 A 3 PRO HDy A 2 PRO HA 1.0 1.669 4.077 62 61 A 2 PRO HA A 3 PRO HDx 1.0 1.612 3.864 63 62 A 15 TRP H A 12 ASP HA 1.0 1.882 5.174 64 63 A 19 LEU HA A 18 TYR HDx 1.0 1.875 5.121 65 64 A 16 GLN HA A 15 TRP HE3 1.0 1.916 5.440 66 65 A 15 TRP HA A 15 TRP HE3 1.0 1.688 4.152 67 66 A 15 TRP HE3 A 15 TRP HBy 1.0 1.735 4.355 68 67 A 15 TRP HD1 A 15 TRP HBy 1.0 1.679 4.119 69 68 A 5 ARG HA A 15 TRP HD1 1.0 1.857 5.007 70 69 A 15 TRP HA A 18 TYR HDx 1.0 1.864 5.048 71 70 A 15 TRP HA A 16 GLN H 1.0 1.871 5.095 72 71 A 19 LEU HA A 20 ASN H 1.0 1.828 4.824 73 72 A 16 GLN HA A 20 ASN HD2y 1.0 1.857 4.999 74 73 A 20 ASN HD2y A 17 ILE HA 1.0 1.841 4.905 75 74 A 15 TRP HZ3 A 15 TRP HBy 1.0 1.982 6.264 76 75 A 15 TRP HA A 19 LEU H 1.0 1.930 5.576 77 76 A 19 LEU HG A 20 ASN H 1.0 1.884 5.188 78 77 A 15 TRP HE3 A 19 LEU HBy 1.0 1.830 4.840 79 78 A 14 LEU H A 14 LEU HDy% 1.0 1.869 5.085 80 79 A 19 LEU HBy A 18 TYR HDx 1.0 1.809 4.717 81 80 A 19 LEU HG A 18 TYR HDx 1.0 1.990 6.442 82 81 A 5 ARG HA A 15 TRP HE1 1.0 1.929 5.569 83 82 A 19 LEU H A 20 ASN H 1.0 1.743 4.391 84 83 A 13 LYS H A 12 ASP H 1.0 1.768 4.506 85 84 A 15 TRP H A 15 TRP HE3 1.0 1.913 5.415 86 85 A 6 GLY H A 7 SER H 1.0 1.951 5.793 87 86 A 15 TRP HZ2 A 15 TRP HZ3 1.0 1.840 4.898 88 87 A 15 TRP HE3 A 18 TYR HDx 1.0 1.826 4.814 89 88 A 16 GLN H A 12 ASP HA 1.0 1.984 6.312 90 89 A 4 PRO HBy A 4 PRO HBx 1.0 1.469 3.409 91 90 A 2 PRO HGy A 2 PRO HBx 1.0 1.698 4.192 92 91 A 2 PRO HBx A 2 PRO HBy 1.0 1.655 4.021 93 92 A 3 PRO HGy A 3 PRO HBx 1.0 1.570 3.722 94 93 A 9 PRO HBy A 9 PRO HGy 1.0 1.583 3.763 95 94 A 3 PRO HBx A 3 PRO HBy 1.0 1.475 3.427 96 95 A 5 ARG HBx A 5 ARG HDy 1.0 1.710 4.244 97 96 A 13 LYS HBy A 13 LYS HEy 1.0 1.946 5.738 98 97 A 2 PRO HA A 2 PRO HGy 1.0 1.866 5.060 99 98 A 2 PRO HA A 2 PRO HBx 1.0 1.735 4.349 100 99 A 4 PRO HGy A 4 PRO HA 1.0 1.714 4.262 101 100 A 4 PRO HBy A 4 PRO HDx 1.0 1.839 4.893 102 101 A 4 PRO HBx A 4 PRO HDx 1.0 1.826 4.816 103 102 A 13 LYS HA A 16 GLN HGy 1.0 1.923 5.511 104 103 A 13 LYS HA A 16 GLN HBy 1.0 1.820 4.780 105 104 A 14 LEU HA A 17 ILE HB 1.0 1.768 4.506 106 105 A 2 PRO HGy A 2 PRO HDy 1.0 1.771 4.523 107 106 A 2 PRO HBy A 2 PRO HDy 1.0 1.899 5.299 108 107 A 3 PRO HDy A 3 PRO HBx 1.0 1.967 6.011 109 108 A 4 PRO HBx A 4 PRO HDy 1.0 1.835 4.869 110 109 A 5 ARG H A 4 PRO HBx 1.0 1.925 5.527 111 110 A 15 TRP HE1 A 19 LEU HBy 1.0 1.986 6.342 112 111 A 17 ILE HA A 18 TYR HDx 1.0 1.975 6.127 113 112 A 5 ARG H A 4 PRO HA 1.0 1.875 5.125 114 113 A 15 TRP HD1 A 12 ASP H 1.0 1.971 6.065 115 114 A 19 LEU H A 17 ILE H 1.0 1.964 5.960 116 115 A 16 GLN H A 19 LEU H 1.0 1.994 6.568 117 116 A 13 LYS H A 14 LEU H 1.0 1.744 4.392 118 117 A 16 GLN H A 17 ILE H 1.0 1.692 4.168 119 118 A 15 TRP H A 16 GLN H 1.0 1.729 4.327 120 119 A 14 LEU H A 12 ASP H 1.0 1.984 6.310 121 120 A 16 GLN H A 15 TRP HE3 1.0 1.958 5.886 122 121 A 15 TRP HE3 A 19 LEU H 1.0 1.991 6.469 123 122 A 16 GLN H A 15 TRP HD1 1.0 1.941 5.687 124 123 A 2 PRO HGy A 2 PRO HDx 1.0 1.726 4.312 125 124 A 3 PRO HDy A 3 PRO HGy 1.0 1.727 4.319 126 125 A 4 PRO HGy A 4 PRO HDy 1.0 1.654 4.016 127 126 A 3 PRO HDy A 2 PRO HBx 1.0 1.842 4.912 128 127 A 2 PRO HBx A 2 PRO HDy 1.0 1.968 6.032 129 128 A 2 PRO HDy A 2 PRO HDx 1.0 1.539 3.623 130 129 A 2 PRO HDy A 1 SER HBy 1.0 1.854 4.988 131 130 A 2 PRO HDy A 1 SER HA 1.0 1.715 4.265 132 131 A 2 PRO HDx A 1 SER HA 1.0 1.624 3.908 133 132 A 1 SER HBy A 1 SER HA 1.0 1.775 4.541 134 133 A 4 PRO HA A 4 PRO HDx 1.0 1.899 5.303 135 134 A 7 SER HA A 7 SER HBy 1.0 1.681 4.127 136 135 A 15 TRP HBy A 12 ASP HA 1.0 1.855 4.993 137 136 A 18 TYR HDx A 17 ILE H 1.0 1.995 6.605 138 137 A 15 TRP HD1 A 15 TRP HE3 1.0 1.994 6.592 139 138 A 14 LEU HDx% A 13 LYS HEy 1.0 1.879 5.153 140 139 A 14 LEU HDy% A 17 ILE HB 1.0 1.943 5.709 141 140 A 14 LEU H A 11 GLY HAy 1.0 1.984 6.298 142 141 A 13 LYS HA A 16 GLN H 1.0 1.850 4.958 143 142 A 13 LYS HA A 14 LEU H 1.0 1.750 4.422 144 143 A 19 LEU H A 18 TYR HA 1.0 1.875 5.125 145 144 A 16 GLN HA A 17 ILE H 1.0 1.838 4.888 146 145 A 3 PRO HBx A 4 PRO HDx 1.0 1.827 4.821 147 146 A 9 PRO HGy A 9 PRO HDx 1.0 1.729 4.325 148 147 A 14 LEU H A 13 LYS HBy 1.0 1.745 4.399 149 148 A 16 GLN H A 13 LYS HBy 1.0 1.996 6.656 150 149 A 4 PRO HGy A 4 PRO HDx 1.0 1.608 3.852 151 150 A 4 PRO HBy A 4 PRO HGy 1.0 1.524 3.572 152 151 A 17 ILE HB A 17 ILE HG1x 1.0 1.743 4.389 153 152 A 18 TYR H A 18 TYR HBy 1.0 1.642 3.976 154 153 A 11 GLY H A 11 GLY HAx 1.0 1.593 3.799 155 154 A 18 TYR H A 18 TYR HA 1.0 1.723 4.297 156 155 A 14 LEU HDx% A 14 LEU HBy 1.0 1.677 4.109 157 156 A 17 ILE HB A 17 ILE HG2% 1.0 1.496 3.488 158 157 A 16 GLN HBy A 17 ILE H 1.0 1.787 4.605 159 158 A 17 ILE H A 18 TYR HBy 1.0 1.929 5.569 160 159 A 18 TYR HDx A 18 TYR HBy 1.0 1.588 3.782 161 160 A 17 ILE HA A 17 ILE H 1.0 1.719 4.283 162 161 A 17 ILE HA A 17 ILE HD1% 1.0 1.561 3.689 163 162 A 12 ASP HA A 12 ASP H 1.0 1.726 4.312 164 163 A 13 LYS H A 12 ASP HA 1.0 1.724 4.304 165 164 A 20 ASN H A 20 ASN HA 1.0 1.669 4.077 166 165 A 15 TRP HD1 A 12 ASP HA 1.0 1.732 4.340 167 166 A 18 TYR HA A 18 TYR HBy 1.0 1.663 4.055 168 167 A 15 TRP HA A 18 TYR HBy 1.0 1.784 4.586 169 168 A 15 TRP HZ3 A 20 ASN H 1.0 1.852 4.972 170 169 A 15 TRP HZ2 A 15 TRP HH2 1.0 1.504 3.514 171 170 A 15 TRP HE3 A 15 TRP HH2 1.0 1.830 4.838 172 171 A 18 TYR HBy A 18 TYR HEx 1.0 1.909 5.385 173 172 A 18 TYR H A 17 ILE HB 1.0 1.815 4.751 174 173 A 8 SER HBy A 8 SER H 1.0 1.617 3.879 175 174 A 18 TYR H A 17 ILE H 1.0 1.748 4.416 176 175 A 12 ASP H A 11 GLY H 1.0 1.785 4.595 177 176 A 18 TYR H A 18 TYR HDx 1.0 1.826 4.818 178 177 A 3 PRO HBy A 4 PRO HDx 1.0 1.854 4.988 179 178 A 15 TRP HE1 A 12 ASP HA 1.0 1.961 5.913 180 179 A 5 ARG HA A 5 ARG HBy 1.0 1.759 4.467 181 180 A 13 LYS HA A 13 LYS HBy 1.0 1.645 3.985 182 181 A 4 PRO HBy A 4 PRO HA 1.0 1.748 4.412 183 182 A 9 PRO HGy A 8 SER HA 1.0 1.930 5.576 184 183 A 17 ILE HA A 18 TYR HA 1.0 1.877 5.139 185 184 A 20 ASN H A 18 TYR HA 1.0 1.953 5.817 186 185 A 6 GLY HAy A 7 SER H 1.0 1.839 4.891 187 186 A 4 PRO HBy A 4 PRO HDy 1.0 1.820 4.778 188 187 A 12 ASP H A 11 GLY HAx 1.0 1.765 4.493 189 188 A 5 ARG HA A 5 ARG HDx 1.0 1.911 5.405 190 188 A 5 ARG HA A 5 ARG HDy 1.0 1.911 5.405 191 189 A 15 TRP HBy A 18 TYR HDx 1.0 1.986 6.340 192 190 A 19 LEU H A 18 TYR HBy 1.0 1.778 4.560 193 191 A 19 LEU HA A 18 TYR HEx 1.0 1.957 5.877 194 192 A 18 TYR HEx A 19 LEU HBx 1.0 1.937 5.639 195 192 A 19 LEU HBy A 18 TYR HEx 1.0 1.937 5.639 196 193 A 15 TRP HZ3 A 20 ASN HA 1.0 1.938 5.652 197 194 A 15 TRP HZ3 A 19 LEU HA 1.0 1.990 6.448 198 195 A 16 GLN HA A 15 TRP HZ3 1.0 1.997 6.703 199 196 A 19 LEU H A 17 ILE HA 1.0 1.992 6.506 200 197 A 15 TRP HZ2 A 18 TYR HEx 1.0 1.974 6.110 201 198 A 15 TRP HE3 A 18 TYR HEx 1.0 1.968 6.022 202 199 A 15 TRP HE1 A 15 TRP HBy 1.0 1.996 6.650 203 200 A 10 GLY H A 9 PRO HDy 1.0 1.979 6.203 204 201 A 9 PRO HDx A 10 GLY H 1.0 1.990 6.440 205 202 A 10 GLY H A 9 PRO HBx 1.0 1.953 5.817 206 203 A 9 PRO HGy A 10 GLY H 1.0 1.990 6.452 207 204 A 5 ARG H A 4 PRO HGy 1.0 1.971 6.065 208 205 A 5 ARG H A 4 PRO HBy 1.0 1.935 5.613 209 206 A 12 ASP H A 11 GLY HAy 1.0 1.784 4.584 210 207 A 5 ARG HA A 5 ARG HDy 1.0 1.839 4.893 211 208 A 3 PRO HBx A 4 PRO HA 1.0 1.940 5.680 212 209 A 4 PRO HBx A 4 PRO HA 1.0 1.637 3.957 213 210 A 17 ILE HB A 17 ILE H 1.0 1.664 4.060 214 211 A 17 ILE HG1y A 17 ILE H 1.0 1.802 4.678 215 212 A 17 ILE HG1x A 17 ILE H 1.0 1.689 4.157 216 213 A 19 LEU HBy A 20 ASN H 1.0 1.805 4.701 217 214 A 5 ARG HDy A 5 ARG HGy 1.0 1.669 4.077 218 215 A 13 LYS HBy A 13 LYS HGy 1.0 1.771 4.521 219 216 A 5 ARG HBx A 5 ARG HBy 1.0 1.539 3.619 220 217 A 9 PRO HGy A 9 PRO HA 1.0 1.867 5.067 221 218 A 5 ARG HA A 5 ARG HGy 1.0 1.719 4.285 222 219 A 19 LEU HDy% A 19 LEU HG 1.0 1.603 3.833 223 220 A 19 LEU HDx% A 19 LEU H 1.0 1.765 4.495 224 221 A 15 TRP HE1 A 19 LEU HDx% 1.0 1.794 4.638 225 222 A 6 GLY H A 5 ARG HGx 1.0 1.998 6.798 226 222 A 6 GLY H A 5 ARG HGy 1.0 1.998 6.798 227 223 A 9 PRO HBy A 9 PRO HBx 1.0 1.584 3.766 228 224 A 16 GLN HE2y A 16 GLN HE2x 1.0 1.436 3.316 229 225 A 17 ILE HA A 17 ILE HG2% 1.0 1.536 3.612 230 226 A 10 GLY H A 9 PRO HA 1.0 1.718 4.276 231 227 A 6 GLY H A 5 ARG H 1.0 1.989 6.419 232 228 A 5 ARG H A 5 ARG HBx 1.0 1.850 4.960 233 229 A 5 ARG H A 5 ARG HBy 1.0 1.817 4.765 234 230 A 5 ARG H A 5 ARG HGy 1.0 1.848 4.948 235 231 A 12 ASP HBy A 12 ASP H 1.0 1.632 3.934 236 232 A 20 ASN HBx A 19 LEU H 1.0 1.992 6.502 237 233 A 19 LEU H A 18 TYR H 1.0 1.745 4.399 238 234 A 15 TRP HA A 18 TYR H 1.0 1.836 4.872 239 235 A 14 LEU HA A 18 TYR H 1.0 1.981 6.237 240 236 A 18 TYR H A 15 TRP HBy 1.0 1.991 6.481 241 237 A 18 TYR H A 17 ILE HG1y 1.0 1.987 6.371 242 238 A 13 LYS H A 11 GLY H 1.0 1.996 6.630 243 239 A 11 GLY HAy A 11 GLY H 1.0 1.696 4.184 244 240 A 7 SER HA A 8 SER H 1.0 1.711 4.247 245 241 A 7 SER H A 7 SER HBx 1.0 1.735 4.349 246 242 A 7 SER H A 7 SER HBy 1.0 1.847 4.943 247 243 A 13 LYS H A 11 GLY HAy 1.0 1.993 6.545 248 244 A 13 LYS H A 10 GLY HAy 1.0 1.932 5.588 249 245 A 13 LYS H A 13 LYS HDy 1.0 1.946 5.738 250 246 A 13 LYS H A 13 LYS HGx 1.0 1.894 5.266 251 247 A 15 TRP H A 12 ASP H 1.0 1.985 6.333 252 248 A 15 TRP H A 18 TYR H 1.0 1.939 5.667 253 249 A 13 LYS HA A 15 TRP H 1.0 1.922 5.500 254 250 A 15 TRP H A 14 LEU HA 1.0 1.804 4.690 255 251 A 15 TRP H A 16 GLN HA 1.0 1.956 5.868 256 252 A 15 TRP H A 14 LEU HBx 1.0 1.837 4.879 257 253 A 15 TRP H A 14 LEU HBy 1.0 1.840 4.898 258 254 A 15 TRP H A 14 LEU HDy% 1.0 1.995 6.619 259 255 A 15 TRP H A 15 TRP HD1 1.0 1.949 5.769 260 256 A 14 LEU H A 13 LYS HGy 1.0 1.988 6.404 261 257 A 16 GLN H A 18 TYR H 1.0 1.959 5.895 262 258 A 16 GLN H A 17 ILE HA 1.0 1.976 6.160 263 259 A 16 GLN H A 13 LYS HDy 1.0 1.936 5.632 264 260 A 16 GLN H A 17 ILE HG1y 1.0 1.998 6.742 265 261 A 18 TYR H A 20 ASN H 1.0 1.939 5.667 266 262 A 20 ASN HD2y A 16 GLN HGy 1.0 1.990 6.444 267 263 A 20 ASN HD2y A 16 GLN HBy 1.0 1.939 5.659 268 264 A 19 LEU HDx% A 20 ASN H 1.0 1.863 5.045 269 265 A 15 TRP HE3 A 18 TYR H 1.0 2.000 6.898 270 266 A 15 TRP HE3 A 5 ARG HDx 1.0 1.981 6.229 271 266 A 15 TRP HE3 A 5 ARG HDy 1.0 1.981 6.229 272 267 A 15 TRP HE3 A 16 GLN HGy 1.0 1.996 6.646 273 268 A 15 TRP HE3 A 16 GLN HBy 1.0 1.986 6.352 274 269 A 15 TRP HE3 A 19 LEU HG 1.0 1.997 6.713 275 270 A 15 TRP HE3 A 19 LEU HDx% 1.0 1.760 4.468 276 271 A 15 TRP HZ2 A 19 LEU HBx 1.0 1.964 5.960 277 271 A 15 TRP HZ2 A 19 LEU HBy 1.0 1.964 5.960 278 272 A 15 TRP HZ2 A 19 LEU HDy% 1.0 1.872 5.104 279 273 A 15 TRP HD1 A 12 ASP HBy 1.0 1.902 5.326 280 274 A 15 TRP HD1 A 16 GLN HGy 1.0 1.977 6.157 281 275 A 15 TRP HD1 A 5 ARG HBy 1.0 1.983 6.269 282 276 A 15 TRP HD1 A 5 ARG HGy 1.0 1.980 6.218 283 277 A 15 TRP HD1 A 19 LEU HDx% 1.0 1.829 4.833 284 278 A 16 GLN HA A 16 GLN HE2y 1.0 1.984 6.294 285 279 A 16 GLN HGy A 16 GLN HE2y 1.0 1.808 4.708 286 280 A 16 GLN HE2y A 16 GLN HBx 1.0 1.957 5.877 287 280 A 16 GLN HBy A 16 GLN HE2y 1.0 1.957 5.877 288 281 A 15 TRP HE1 A 15 TRP HH2 1.0 1.965 5.971 289 282 A 19 LEU H A 15 TRP HH2 1.0 1.990 6.436 290 283 A 15 TRP HZ3 A 15 TRP HH2 1.0 1.389 3.189 291 284 A 15 TRP HH2 A 18 TYR HEy 1.0 1.975 6.135 292 284 A 15 TRP HH2 A 18 TYR HEx 1.0 1.975 6.135 293 285 A 20 ASN HA A 15 TRP HH2 1.0 1.866 5.060 294 286 A 15 TRP HH2 A 19 LEU HBx 1.0 1.988 6.398 295 286 A 19 LEU HBy A 15 TRP HH2 1.0 1.988 6.398 296 287 A 19 LEU HDy% A 15 TRP HH2 1.0 1.913 5.415 297 288 A 15 TRP HA A 15 TRP HZ3 1.0 1.969 6.043 298 289 A 15 TRP HZ3 A 20 ASN HBx 1.0 1.965 5.971 299 290 A 20 ASN HBx A 20 ASN H 1.0 1.623 3.903 300 291 A 15 TRP HZ3 A 19 LEU HBx 1.0 1.974 6.108 301 291 A 15 TRP HZ3 A 19 LEU HBy 1.0 1.974 6.108 302 292 A 15 TRP HZ3 A 19 LEU HDy% 1.0 1.841 4.905 303 293 A 17 ILE HB A 18 TYR HDx 1.0 1.976 6.148 304 294 A 20 ASN HD2x A 20 ASN HA 1.0 1.997 6.687 305 295 A 16 GLN HA A 20 ASN HD2x 1.0 1.987 6.359 306 296 A 20 ASN HD2x A 20 ASN HBy 1.0 1.912 5.410 307 297 A 20 ASN HD2x A 16 GLN HGy 1.0 1.995 6.617 308 298 A 16 GLN HGy A 16 GLN HE2x 1.0 1.916 5.446 309 299 A 16 GLN HBy A 16 GLN HE2x 1.0 1.989 6.415 310 300 A 18 TYR H A 18 TYR HEx 1.0 1.963 5.951 311 301 A 20 ASN H A 18 TYR HEx 1.0 1.991 6.477 312 302 A 15 TRP HA A 18 TYR HEx 1.0 1.987 6.367 313 303 A 9 PRO HBy A 9 PRO HA 1.0 1.943 5.709 314 304 A 9 PRO HDx A 8 SER HA 1.0 1.575 3.739 315 305 A 8 SER HBy A 8 SER HA 1.0 1.550 3.656 316 306 A 9 PRO HDx A 9 PRO HA 1.0 1.920 5.482 317 307 A 9 PRO HDx A 9 PRO HDy 1.0 1.522 3.566 318 308 A 9 PRO HDx A 9 PRO HBx 1.0 1.911 5.395 319 309 A 2 PRO HDx A 1 SER HBy 1.0 1.945 5.723 320 310 A 8 SER HA A 9 PRO HDy 1.0 1.619 3.887 321 311 A 4 PRO HDx A 3 PRO HA 1.0 1.613 3.867 322 312 A 9 PRO HGy A 9 PRO HDy 1.0 1.778 4.558 323 313 A 14 LEU HA A 17 ILE HA 1.0 1.962 5.932 324 314 A 17 ILE HA A 17 ILE HG1x 1.0 1.721 4.293 325 315 A 3 PRO HDx A 3 PRO HBy 1.0 1.933 5.607 326 316 A 4 PRO HDy A 3 PRO HA 1.0 1.666 4.066 327 317 A 4 PRO HDx A 4 PRO HDy 1.0 1.499 3.495 328 318 A 3 PRO HBy A 4 PRO HDy 1.0 1.747 4.405 329 319 A 3 PRO HDy A 3 PRO HDx 1.0 1.510 3.528 330 320 A 3 PRO HDy A 2 PRO HBy 1.0 1.893 5.253 331 321 A 19 LEU HDx% A 15 TRP HBy 1.0 1.911 5.395 332 322 A 2 PRO HA A 2 PRO HDy 1.0 1.989 6.419 333 323 A 19 LEU HBy A 18 TYR HBy 1.0 1.950 5.784 334 324 A 5 ARG HDy A 5 ARG HBy 1.0 1.801 4.677 335 325 A 14 LEU HDx% A 13 LYS HEx 1.0 1.916 5.446 336 325 A 14 LEU HDx% A 13 LYS HEy 1.0 1.916 5.446 337 326 A 20 ASN HBx A 15 TRP HH2 1.0 1.936 5.626 338 327 A 20 ASN HBx A 20 ASN HA 1.0 1.676 4.102 339 328 A 20 ASN HBx A 17 ILE HA 1.0 1.881 5.163 340 329 A 20 ASN HBy A 15 TRP HH2 1.0 1.954 5.834 341 330 A 12 ASP HBy A 12 ASP HA 1.0 1.592 3.796 342 331 A 20 ASN HBy A 20 ASN HA 1.0 1.695 4.181 343 332 A 12 ASP HBy A 13 LYS HBx 1.0 1.996 6.666 344 332 A 12 ASP HBy A 13 LYS HBy 1.0 1.996 6.666 345 333 A 9 PRO HBx A 9 PRO HA 1.0 1.637 3.957 346 334 A 9 PRO HDy A 9 PRO HBx 1.0 1.910 5.400 347 335 A 3 PRO HBx A 3 PRO HA 1.0 1.681 4.125 348 336 A 4 PRO HBx A 4 PRO HGy 1.0 1.589 3.785 349 337 A 15 TRP HZ3 A 16 GLN HGy 1.0 1.998 6.744 350 338 A 3 PRO HDx A 2 PRO HBx 1.0 1.907 5.367 351 339 A 16 GLN HBy A 16 GLN HE2y 1.0 1.985 6.323 352 340 A 9 PRO HGy A 9 PRO HBx 1.0 1.701 4.209 353 341 A 3 PRO HGy A 3 PRO HA 1.0 1.797 4.655 354 342 A 17 ILE HB A 18 TYR HBy 1.0 1.949 5.769 355 343 A 16 GLN H A 17 ILE HB 1.0 1.956 5.868 356 344 A 2 PRO HA A 3 PRO HGy 1.0 1.908 5.376 357 345 A 9 PRO HBy A 9 PRO HDx 1.0 1.774 4.540 358 346 A 9 PRO HBy A 10 GLY H 1.0 1.961 5.913 359 347 A 3 PRO HBy A 3 PRO HA 1.0 1.803 4.685 360 348 A 13 LYS HBy A 10 GLY HAx 1.0 1.913 5.415 361 348 A 13 LYS HBy A 10 GLY HAy 1.0 1.913 5.415 362 349 A 3 PRO HDy A 3 PRO HBy 1.0 1.927 5.551 363 350 A 3 PRO HGy A 3 PRO HBy 1.0 1.513 3.541 364 351 A 6 GLY H A 5 ARG HBx 1.0 1.993 6.541 365 352 A 19 LEU HBy A 18 TYR H 1.0 1.935 5.613 366 353 A 2 PRO HA A 2 PRO HBy 1.0 1.872 5.104 367 354 A 15 TRP HA A 19 LEU HBy 1.0 1.891 5.241 368 355 A 5 ARG HA A 5 ARG HBx 1.0 1.686 4.146 369 356 A 19 LEU HBx A 18 TYR HBx 1.0 1.929 5.569 370 356 A 18 TYR HBy A 19 LEU HBx 1.0 1.929 5.569 371 356 A 19 LEU HBy A 18 TYR HBx 1.0 1.929 5.569 372 356 A 19 LEU HBy A 18 TYR HBy 1.0 1.929 5.569 373 357 A 13 LYS HBy A 13 LYS HDy 1.0 1.716 4.270 374 358 A 5 ARG HBx A 5 ARG HGy 1.0 1.551 3.659 375 359 A 16 GLN H A 17 ILE HG1x 1.0 1.964 5.960 376 360 A 17 ILE HG1x A 17 ILE HD1% 1.0 1.488 3.464 377 361 A 14 LEU H A 14 LEU HG 1.0 1.777 4.551 378 362 A 14 LEU HA A 14 LEU HG 1.0 1.839 4.895 379 363 A 4 PRO HA A 5 ARG HBy 1.0 1.971 6.065 380 364 A 14 LEU HBy A 1 SER HBx 1.0 1.996 6.628 381 365 A 13 LYS HA A 13 LYS HGx 1.0 1.769 4.515 382 366 A 13 LYS HGx A 13 LYS HEy 1.0 1.804 4.694 383 367 A 17 ILE HB A 13 LYS HGx 1.0 1.962 5.932 384 368 A 13 LYS HGx A 13 LYS HDy 1.0 1.546 3.644 385 369 A 6 GLY H A 5 ARG HGy 1.0 1.982 6.242 386 370 A 4 PRO HA A 5 ARG HGy 1.0 1.987 6.369 387 371 A 17 ILE HB A 13 LYS HGy 1.0 1.978 6.184 388 372 A 14 LEU HA A 17 ILE HG1y 1.0 1.969 6.043 389 373 A 14 LEU HDy% A 11 GLY HAy 1.0 1.982 6.250 390 374 A 14 LEU HDy% A 14 LEU HBy 1.0 1.741 4.379 391 375 A 19 LEU HDy% A 20 ASN H 1.0 1.893 5.257 392 376 A 15 TRP HZ2 A 19 LEU HDx% 1.0 1.870 5.088 393 377 A 19 LEU HDx% A 15 TRP HH2 1.0 1.927 5.551 394 378 A 15 TRP HZ3 A 19 LEU HDx% 1.0 1.842 4.912 395 379 A 19 LEU HDx% A 18 TYR HDx 1.0 1.700 4.202 396 380 A 19 LEU HDy% A 18 TYR HEx 1.0 1.794 4.640 397 381 A 15 TRP HA A 19 LEU HDx% 1.0 1.929 5.569 398 382 A 19 LEU HDx% A 15 TRP HBx 1.0 1.891 5.241 399 382 A 19 LEU HDx% A 15 TRP HBy 1.0 1.891 5.241 400 383 A 14 LEU HDx% A 13 LYS HBx 1.0 1.852 4.974 401 383 A 14 LEU HDx% A 13 LYS HBy 1.0 1.852 4.974 402 384 A 5 ARG H A 5 ARG HDx 1.0 1.988 6.406 403 384 A 5 ARG H A 5 ARG HDy 1.0 1.988 6.406 404 385 A 8 SER H A 8 SER HA 1.0 1.739 4.367 405 386 A 8 SER HA A 9 PRO HBx 1.0 1.985 6.309 406 387 A 15 TRP HZ3 A 20 ASN HBy 1.0 1.994 6.580 407 388 A 20 ASN HD2x A 16 GLN HBy 1.0 1.994 6.556 408 389 A 16 GLN HE2x A 16 GLN HBx 1.0 1.997 6.677 409 389 A 16 GLN HBy A 16 GLN HE2x 1.0 1.997 6.677 410 390 A 20 ASN H A 18 TYR HBy 1.0 1.985 6.317 411 391 A 18 TYR HBy A 17 ILE HG2% 1.0 1.871 5.095 412 391 A 17 ILE HG2% A 18 TYR HBx 1.0 1.871 5.095 413 392 A 11 GLY HAy A 11 GLY HAx 1.0 1.536 3.612 414 393 A 14 LEU HDy% A 1 SER HBx 1.0 1.932 5.600 415 394 A 19 LEU H A 18 TYR HEx 1.0 1.973 6.093 416 395 A 20 ASN HBx A 18 TYR H 1.0 1.983 6.283 417 396 A 17 ILE H A 16 GLN HGx 1.0 1.940 5.680 418 396 A 16 GLN HGy A 17 ILE H 1.0 1.940 5.680 419 397 A 14 LEU HBx A 1 SER HBx 1.0 1.955 5.851 420 398 A 14 LEU HG A 1 SER HBx 1.0 1.973 6.101 stop_ save_