data_nef_c25377_2mwy 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MWY stop_ 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 GLN start . . 2 A 2 ILE middle . . 3 A 3 ASN middle . . 4 A 4 GLN middle . . 5 A 5 VAL middle . . 6 A 6 ARG middle . . 7 A 7 PRO middle . false 8 A 8 LYS middle . . 9 A 9 LEU middle . . 10 A 10 PRO middle . false 11 A 11 LEU middle . . 12 A 12 LEU middle . . 13 A 13 LYS middle . . 14 A 14 ILE middle . . 15 A 15 LEU middle . . 16 A 16 HIS middle . . 17 A 17 ALA middle . . 18 A 18 ALA middle . . 19 A 19 GLY middle . false 20 A 20 ALA middle . . 21 A 21 GLN middle . . 22 A 22 GLY middle . false 23 A 23 GLU middle . . 24 A 24 MET middle . . 25 A 25 PHE middle . . 26 A 26 THR middle . . 27 A 27 VAL middle . . 28 A 28 LYS middle . . 29 A 29 GLU middle . . 30 A 30 VAL middle . . 31 A 31 MET middle . . 32 A 32 HIS middle . . 33 A 33 TYR middle . . 34 A 34 LEU middle . . 35 A 35 GLY middle . false 36 A 36 GLN middle . . 37 A 37 TYR middle . . 38 A 38 ILE middle . . 39 A 39 MET middle . . 40 A 40 VAL middle . . 41 A 41 LYS middle . . 42 A 42 GLN middle . . 43 A 43 LEU middle . . 44 A 44 TYR middle . . 45 A 45 ASP middle . . 46 A 46 GLN middle . . 47 A 47 GLN middle . . 48 A 48 GLU middle . . 49 A 49 GLN middle . . 50 A 50 HIS middle . . 51 A 51 MET middle . . 52 A 52 VAL middle . . 53 A 53 TYR middle . . 54 A 54 CYS middle . . 55 A 55 GLY middle . false 56 A 56 GLY middle . false 57 A 57 ASP middle . . 58 A 58 LEU middle . . 59 A 59 LEU middle . . 60 A 60 GLY middle . false 61 A 61 GLU middle . . 62 A 62 LEU middle . . 63 A 63 LEU middle . . 64 A 64 GLY middle . false 65 A 65 ARG middle . . 66 A 66 GLN middle . . 67 A 67 SER middle . . 68 A 68 PHE middle . . 69 A 69 SER middle . . 70 A 70 VAL middle . . 71 A 71 LYS middle . . 72 A 72 ASP middle . . 73 A 73 PRO middle . false 74 A 74 SER middle . . 75 A 75 PRO middle . false 76 A 76 LEU middle . . 77 A 77 TYR middle . . 78 A 78 ASP middle . . 79 A 79 MET middle . . 80 A 80 LEU middle . . 81 A 81 ARG middle . . 82 A 82 LYS middle . . 83 A 83 ASN middle . . 84 A 84 LEU middle . . 85 A 85 VAL middle . . 86 A 86 THR middle . . 87 A 87 LEU middle . . 88 A 88 ALA middle . . 89 A 89 THR end . . 90 B 115 SER start . . 91 B 116 GLN middle . . 92 B 117 GLU middle . . 93 B 118 THR middle . . 94 B 119 PHE middle . . 95 B 120 SER middle . . 96 B 121 ASP middle . . 97 B 122 LEU middle . . 98 B 123 TRP middle . . 99 B 124 LYS middle . . 100 B 125 LEU middle . . 101 B 126 LEU middle . . 102 B 127 PRO middle . false 103 B 128 GLU middle . . 104 B 129 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 GLN HB3 H 1 1.905 0.020 A 2 ILE HB H 1 1.806 0.020 A 2 ILE HD1% H 1 0.809 0.020 A 2 ILE HG1y H 1 1.399 0.020 A 2 ILE HG1x H 1 1.126 0.020 A 2 ILE HG2% H 1 0.869 0.020 A 3 ASN HBy H 1 2.786 0.020 A 3 ASN HBx H 1 2.727 0.020 A 3 ASN HD21 H 1 7.538 0.020 A 3 ASN HD22 H 1 6.869 0.020 A 4 GLN HB2 H 1 1.879 0.020 A 4 GLN HB3 H 1 1.879 0.020 A 4 GLN HE21 H 1 7.250 0.020 A 4 GLN HE22 H 1 6.626 0.020 A 4 GLN HGy H 1 2.247 0.020 A 4 GLN HGx H 1 2.014 0.020 A 5 VAL HB H 1 1.779 0.020 A 5 VAL HGx% H 1 0.775 0.020 A 5 VAL HGy% H 1 0.732 0.020 A 6 ARG HBy H 1 1.840 0.020 A 6 ARG HBx H 1 1.583 0.020 A 6 ARG HD2 H 1 3.118 0.020 A 6 ARG HD3 H 1 3.118 0.020 A 6 ARG HGy H 1 1.689 0.020 A 6 ARG HGx H 1 1.434 0.020 A 7 PRO HB2 H 1 1.698 0.020 A 7 PRO HB3 H 1 1.698 0.020 A 7 PRO HDy H 1 4.173 0.020 A 7 PRO HDx H 1 4.031 0.020 A 7 PRO HGy H 1 1.820 0.020 A 7 PRO HGx H 1 1.410 0.020 A 8 LYS HBy H 1 2.019 0.020 A 8 LYS HBx H 1 1.950 0.020 A 8 LYS HD2 H 1 1.764 0.020 A 8 LYS HD3 H 1 1.764 0.020 A 8 LYS HE2 H 1 2.881 0.020 A 8 LYS HE3 H 1 2.881 0.020 A 8 LYS HG2 H 1 1.449 0.020 A 8 LYS HG3 H 1 1.449 0.020 A 9 LEU HB2 H 1 1.711 0.020 A 9 LEU HB3 H 1 1.711 0.020 A 9 LEU HD1% H 1 0.914 0.020 A 9 LEU HD2% H 1 0.914 0.020 A 9 LEU HG H 1 1.617 0.020 A 10 PRO HBy H 1 2.254 0.020 A 10 PRO HBx H 1 1.631 0.020 A 10 PRO HDy H 1 3.735 0.020 A 10 PRO HDx H 1 3.465 0.020 A 10 PRO HG2 H 1 1.961 0.020 A 10 PRO HG3 H 1 1.961 0.020 A 11 LEU HBy H 1 1.819 0.020 A 11 LEU HBx H 1 1.104 0.020 A 11 LEU HDx% H 1 0.717 0.020 A 11 LEU HDy% H 1 0.681 0.020 A 11 LEU HG H 1 1.263 0.020 A 12 LEU HBy H 1 1.725 0.020 A 12 LEU HBx H 1 1.199 0.020 A 12 LEU HDx% H 1 0.895 0.020 A 12 LEU HDy% H 1 0.862 0.020 A 13 LYS HBy H 1 1.782 0.020 A 13 LYS HBx H 1 1.702 0.020 A 13 LYS HD2 H 1 1.581 0.020 A 13 LYS HD3 H 1 1.581 0.020 A 13 LYS HE2 H 1 2.880 0.020 A 13 LYS HE3 H 1 2.880 0.020 A 13 LYS HGy H 1 1.527 0.020 A 13 LYS HGx H 1 1.333 0.020 A 14 ILE HB H 1 1.723 0.020 A 14 ILE HD1% H 1 0.333 0.020 A 14 ILE HG1y H 1 1.381 0.020 A 14 ILE HG1x H 1 0.669 0.020 A 14 ILE HG2% H 1 -0.251 0.020 A 15 LEU HBy H 1 1.385 0.020 A 15 LEU HBx H 1 0.619 0.020 A 15 LEU HDx% H 1 0.474 0.020 A 15 LEU HDy% H 1 0.156 0.020 A 15 LEU HG H 1 1.674 0.020 A 16 HIS HB2 H 1 3.066 0.020 A 16 HIS HB3 H 1 3.066 0.020 A 16 HIS HD2 H 1 6.425 0.020 A 16 HIS HE1 H 1 7.847 0.020 A 17 ALA HB% H 1 1.746 0.020 A 18 ALA HB% H 1 1.780 0.020 A 20 ALA HB% H 1 0.206 0.020 A 21 GLN HBy H 1 1.950 0.020 A 21 GLN HBx H 1 1.810 0.020 A 21 GLN HE21 H 1 7.375 0.020 A 21 GLN HE22 H 1 6.701 0.020 A 21 GLN HGy H 1 2.251 0.020 A 21 GLN HGx H 1 2.169 0.020 A 23 GLU HBy H 1 2.098 0.020 A 23 GLU HBx H 1 1.825 0.020 A 23 GLU HGy H 1 2.181 0.020 A 23 GLU HGx H 1 2.135 0.020 A 24 MET HB2 H 1 1.684 0.020 A 24 MET HB3 H 1 1.684 0.020 A 24 MET HE% H 1 2.020 0.020 A 24 MET HGy H 1 2.330 0.020 A 24 MET HGx H 1 2.248 0.020 A 25 PHE HBy H 1 3.694 0.020 A 25 PHE HBx H 1 2.096 0.020 A 25 PHE HD1 H 1 6.969 0.020 A 25 PHE HD2 H 1 6.969 0.020 A 25 PHE HE1 H 1 6.934 0.020 A 25 PHE HE2 H 1 6.934 0.020 A 25 PHE HZ H 1 6.624 0.020 A 26 THR HB H 1 4.733 0.020 A 26 THR HG2% H 1 1.311 0.020 A 27 VAL HB H 1 2.035 0.020 A 27 VAL HGx% H 1 0.997 0.020 A 27 VAL HGy% H 1 0.884 0.020 A 28 LYS HBy H 1 1.885 0.020 A 28 LYS HBx H 1 1.720 0.020 A 28 LYS HDy H 1 1.661 0.020 A 28 LYS HDx H 1 1.570 0.020 A 28 LYS HEy H 1 2.960 0.020 A 28 LYS HEx H 1 2.880 0.020 A 28 LYS HGy H 1 1.484 0.020 A 28 LYS HGx H 1 1.332 0.020 A 29 GLU HBy H 1 2.939 0.020 A 29 GLU HBx H 1 2.248 0.020 A 29 GLU HGy H 1 2.531 0.020 A 29 GLU HGx H 1 2.396 0.020 A 30 VAL HB H 1 2.399 0.020 A 30 VAL HGx% H 1 0.836 0.020 A 30 VAL HGy% H 1 0.816 0.020 A 31 MET HBy H 1 2.650 0.020 A 31 MET HBx H 1 2.542 0.020 A 31 MET HE% H 1 1.534 0.020 A 31 MET HG2 H 1 2.167 0.020 A 31 MET HG3 H 1 2.167 0.020 A 32 HIS HBy H 1 3.180 0.020 A 32 HIS HBx H 1 3.073 0.020 A 32 HIS HD2 H 1 5.188 0.020 A 32 HIS HE1 H 1 7.628 0.020 A 33 TYR HBy H 1 2.910 0.020 A 33 TYR HBx H 1 2.717 0.020 A 33 TYR HD1 H 1 7.057 0.020 A 33 TYR HD2 H 1 7.057 0.020 A 33 TYR HE1 H 1 6.873 0.020 A 33 TYR HE2 H 1 6.873 0.020 A 34 LEU HBy H 1 1.917 0.020 A 34 LEU HBx H 1 1.720 0.020 A 34 LEU HDx% H 1 0.783 0.020 A 34 LEU HDy% H 1 0.706 0.020 A 34 LEU HG H 1 1.710 0.020 A 36 GLN HB2 H 1 2.163 0.020 A 36 GLN HB3 H 1 2.163 0.020 A 36 GLN HE21 H 1 7.519 0.020 A 36 GLN HE22 H 1 6.834 0.020 A 36 GLN HG2 H 1 2.021 0.020 A 36 GLN HG3 H 1 2.021 0.020 A 37 TYR HBy H 1 3.224 0.020 A 37 TYR HBx H 1 2.968 0.020 A 37 TYR HD1 H 1 6.746 0.020 A 37 TYR HD2 H 1 6.746 0.020 A 37 TYR HE1 H 1 6.673 0.020 A 37 TYR HE2 H 1 6.673 0.020 A 38 ILE HB H 1 1.463 0.020 A 38 ILE HD1% H 1 0.671 0.020 A 38 ILE HG1y H 1 1.879 0.020 A 38 ILE HG1x H 1 0.600 0.020 A 38 ILE HG2% H 1 0.147 0.020 A 39 MET HBy H 1 2.645 0.020 A 39 MET HBx H 1 2.377 0.020 A 39 MET HE% H 1 1.707 0.020 A 39 MET HG2 H 1 2.131 0.020 A 39 MET HG3 H 1 2.131 0.020 A 40 VAL HB H 1 2.068 0.020 A 40 VAL HGx% H 1 1.017 0.020 A 40 VAL HGy% H 1 0.903 0.020 A 41 LYS HBy H 1 1.495 0.020 A 41 LYS HBx H 1 1.223 0.020 A 41 LYS HDy H 1 1.199 0.020 A 41 LYS HDx H 1 1.122 0.020 A 41 LYS HE2 H 1 2.742 0.020 A 41 LYS HE3 H 1 2.742 0.020 A 41 LYS HG2 H 1 0.842 0.020 A 41 LYS HG3 H 1 0.842 0.020 A 41 LYS HZ1 H 1 6.676 0.020 A 41 LYS HZ2 H 1 6.676 0.020 A 41 LYS HZ3 H 1 6.676 0.020 A 42 GLN HB2 H 1 1.916 0.020 A 42 GLN HB3 H 1 1.916 0.020 A 42 GLN HE21 H 1 7.509 0.020 A 42 GLN HE22 H 1 6.605 0.020 A 42 GLN HG2 H 1 2.061 0.020 A 42 GLN HG3 H 1 2.061 0.020 A 43 LEU HBy H 1 1.655 0.020 A 43 LEU HBx H 1 1.284 0.020 A 43 LEU HD1% H 1 0.704 0.020 A 43 LEU HD2% H 1 0.704 0.020 A 43 LEU HG H 1 1.282 0.020 A 44 TYR HBy H 1 3.049 0.020 A 44 TYR HBx H 1 1.839 0.020 A 44 TYR HD1 H 1 6.298 0.020 A 44 TYR HD2 H 1 6.298 0.020 A 44 TYR HE1 H 1 6.643 0.020 A 44 TYR HE2 H 1 6.643 0.020 A 45 ASP HBy H 1 3.329 0.020 A 45 ASP HBx H 1 2.447 0.020 A 46 GLN HBy H 1 2.078 0.020 A 46 GLN HBx H 1 1.963 0.020 A 46 GLN HE21 H 1 7.446 0.020 A 46 GLN HE22 H 1 6.590 0.020 A 46 GLN HG2 H 1 2.360 0.020 A 46 GLN HG3 H 1 2.360 0.020 A 47 GLN HBy H 1 2.159 0.020 A 47 GLN HBx H 1 2.066 0.020 A 47 GLN HE21 H 1 7.621 0.020 A 47 GLN HE22 H 1 6.804 0.020 A 47 GLN HG2 H 1 2.351 0.020 A 47 GLN HG3 H 1 2.351 0.020 A 48 GLU HB2 H 1 1.762 0.020 A 48 GLU HB3 H 1 1.762 0.020 A 48 GLU HGy H 1 2.163 0.020 A 48 GLU HGx H 1 2.021 0.020 A 49 GLN HBy H 1 2.282 0.020 A 49 GLN HBx H 1 1.714 0.020 A 49 GLN HE21 H 1 7.735 0.020 A 49 GLN HE22 H 1 6.861 0.020 A 49 GLN HGy H 1 3.035 0.020 A 49 GLN HGx H 1 2.653 0.020 A 50 HIS HBy H 1 3.048 0.020 A 50 HIS HBx H 1 2.762 0.020 A 50 HIS HD2 H 1 7.270 0.020 A 50 HIS HE1 H 1 7.744 0.020 A 51 MET HBy H 1 1.924 0.020 A 51 MET HBx H 1 1.474 0.020 A 51 MET HE% H 1 1.667 0.020 A 51 MET HG2 H 1 1.400 0.020 A 51 MET HG3 H 1 1.400 0.020 A 52 VAL HB H 1 0.887 0.020 A 52 VAL HGx% H 1 0.478 0.020 A 52 VAL HGy% H 1 0.378 0.020 A 53 TYR HBy H 1 3.116 0.020 A 53 TYR HBx H 1 2.768 0.020 A 53 TYR HD1 H 1 6.993 0.020 A 53 TYR HD2 H 1 6.993 0.020 A 53 TYR HE1 H 1 6.723 0.020 A 53 TYR HE2 H 1 6.723 0.020 A 54 CYS HBy H 1 3.234 0.020 A 54 CYS HBx H 1 2.227 0.020 A 57 ASP HBy H 1 2.567 0.020 A 57 ASP HBx H 1 2.400 0.020 A 58 LEU HBy H 1 1.603 0.020 A 58 LEU HBx H 1 1.477 0.020 A 58 LEU HD1% H 1 0.849 0.020 A 58 LEU HD2% H 1 0.849 0.020 A 58 LEU HG H 1 1.582 0.020 A 59 LEU HBy H 1 1.744 0.020 A 59 LEU HBx H 1 1.481 0.020 A 59 LEU HDx% H 1 0.845 0.020 A 59 LEU HDy% H 1 0.706 0.020 A 59 LEU HG H 1 1.630 0.020 A 61 GLU HB2 H 1 2.085 0.020 A 61 GLU HB3 H 1 2.085 0.020 A 61 GLU HGy H 1 2.238 0.020 A 61 GLU HGx H 1 2.109 0.020 A 62 LEU HBy H 1 1.605 0.020 A 62 LEU HBx H 1 1.507 0.020 A 62 LEU HDx% H 1 0.671 0.020 A 62 LEU HDy% H 1 0.671 0.020 A 62 LEU HG H 1 1.488 0.020 A 63 LEU HBy H 1 1.759 0.020 A 63 LEU HBx H 1 1.213 0.020 A 63 LEU HDx% H 1 0.467 0.020 A 63 LEU HDy% H 1 0.394 0.020 A 63 LEU HG H 1 1.582 0.020 A 65 ARG HBy H 1 2.128 0.020 A 65 ARG HBx H 1 1.472 0.020 A 65 ARG HD2 H 1 3.258 0.020 A 65 ARG HD3 H 1 3.258 0.020 A 65 ARG HE H 1 6.775 0.020 A 65 ARG HGy H 1 1.527 0.020 A 65 ARG HGx H 1 1.383 0.020 A 66 GLN HBy H 1 2.223 0.020 A 66 GLN HBx H 1 2.037 0.020 A 66 GLN HG2 H 1 2.371 0.020 A 66 GLN HG3 H 1 2.371 0.020 A 67 SER HBy H 1 3.881 0.020 A 67 SER HBx H 1 3.350 0.020 A 68 PHE HBy H 1 3.320 0.020 A 68 PHE HBx H 1 2.902 0.020 A 68 PHE HD1 H 1 6.907 0.020 A 68 PHE HD2 H 1 6.907 0.020 A 68 PHE HE1 H 1 6.986 0.020 A 68 PHE HE2 H 1 6.986 0.020 A 68 PHE HZ H 1 7.152 0.020 A 69 SER HBy H 1 4.103 0.020 A 69 SER HBx H 1 3.624 0.020 A 70 VAL HB H 1 2.092 0.020 A 70 VAL HGx% H 1 1.271 0.020 A 70 VAL HGy% H 1 1.071 0.020 A 71 LYS HBy H 1 1.825 0.020 A 71 LYS HBx H 1 1.358 0.020 A 71 LYS HDy H 1 1.286 0.020 A 71 LYS HDx H 1 1.059 0.020 A 71 LYS HE2 H 1 2.405 0.020 A 71 LYS HE3 H 1 2.405 0.020 A 71 LYS HGy H 1 1.202 0.020 A 71 LYS HGx H 1 1.046 0.020 A 71 LYS HZ1 H 1 7.097 0.020 A 71 LYS HZ2 H 1 7.097 0.020 A 71 LYS HZ3 H 1 7.097 0.020 A 72 ASP HBy H 1 2.810 0.020 A 72 ASP HBx H 1 2.476 0.020 A 73 PRO HB2 H 1 2.043 0.020 A 73 PRO HB3 H 1 2.043 0.020 A 73 PRO HDy H 1 3.702 0.020 A 73 PRO HDx H 1 3.323 0.020 A 73 PRO HGy H 1 1.971 0.020 A 73 PRO HGx H 1 1.874 0.020 A 74 SER HB2 H 1 4.021 0.020 A 74 SER HB3 H 1 4.021 0.020 A 75 PRO HBy H 1 2.276 0.020 A 75 PRO HBx H 1 1.245 0.020 A 75 PRO HDy H 1 3.894 0.020 A 75 PRO HDx H 1 3.797 0.020 A 75 PRO HGy H 1 2.043 0.020 A 75 PRO HGx H 1 1.872 0.020 A 76 LEU HBy H 1 1.540 0.020 A 76 LEU HBx H 1 0.860 0.020 A 76 LEU HDx% H 1 0.521 0.020 A 76 LEU HDy% H 1 0.662 0.020 A 76 LEU HG H 1 1.065 0.020 A 77 TYR HBy H 1 3.099 0.020 A 77 TYR HBx H 1 2.810 0.020 A 77 TYR HD1 H 1 7.023 0.020 A 77 TYR HD2 H 1 7.023 0.020 A 77 TYR HE1 H 1 6.753 0.020 A 77 TYR HE2 H 1 6.753 0.020 A 78 ASP HBy H 1 2.616 0.020 A 78 ASP HBx H 1 2.556 0.020 A 79 MET HBy H 1 2.294 0.020 A 79 MET HBx H 1 2.097 0.020 A 79 MET HE% H 1 1.702 0.020 A 79 MET HG2 H 1 2.196 0.020 A 79 MET HG3 H 1 2.196 0.020 A 80 LEU HBy H 1 1.916 0.020 A 80 LEU HBx H 1 1.346 0.020 A 80 LEU HDx% H 1 0.671 0.020 A 80 LEU HDy% H 1 0.653 0.020 A 80 LEU HG H 1 1.702 0.020 A 81 ARG HBy H 1 1.979 0.020 A 81 ARG HBx H 1 1.920 0.020 A 81 ARG HD2 H 1 3.204 0.020 A 81 ARG HD3 H 1 3.204 0.020 A 81 ARG HE H 1 7.208 0.020 A 81 ARG HGy H 1 1.797 0.020 A 81 ARG HGx H 1 1.663 0.020 A 82 LYS HBy H 1 1.879 0.020 A 82 LYS HBx H 1 1.732 0.020 A 82 LYS HD2 H 1 1.750 0.020 A 82 LYS HD3 H 1 1.750 0.020 A 82 LYS HEy H 1 2.890 0.020 A 82 LYS HEx H 1 2.803 0.020 A 82 LYS HGy H 1 1.548 0.020 A 82 LYS HGx H 1 1.410 0.020 A 83 ASN HBy H 1 2.721 0.020 A 83 ASN HBx H 1 2.423 0.020 A 83 ASN HD21 H 1 7.569 0.020 A 83 ASN HD22 H 1 7.099 0.020 A 84 LEU HBy H 1 1.968 0.020 A 84 LEU HBx H 1 0.902 0.020 A 84 LEU HDx% H 1 0.712 0.020 A 84 LEU HDy% H 1 0.688 0.020 A 84 LEU HG H 1 1.861 0.020 A 85 VAL HB H 1 2.175 0.020 A 85 VAL HGx% H 1 0.879 0.020 A 85 VAL HGy% H 1 0.921 0.020 A 86 THR HB H 1 4.122 0.020 A 86 THR HG2% H 1 1.175 0.020 A 87 LEU HB2 H 1 1.547 0.020 A 87 LEU HB3 H 1 1.547 0.020 A 87 LEU HDx% H 1 0.798 0.020 A 87 LEU HDy% H 1 0.788 0.020 A 87 LEU HG H 1 1.587 0.020 A 88 ALA HB% H 1 1.341 0.020 A 89 THR HB H 1 4.176 0.020 A 89 THR HG2% H 1 1.092 0.020 B 115 SER HB2 H 1 3.945 0.020 B 115 SER HB3 H 1 3.945 0.020 B 116 GLN HBy H 1 2.049 0.020 B 116 GLN HBx H 1 1.947 0.020 B 116 GLN HE21 H 1 6.480 0.020 B 116 GLN HE22 H 1 7.157 0.020 B 116 GLN HG2 H 1 2.292 0.020 B 116 GLN HG3 H 1 2.292 0.020 B 117 GLU HB2 H 1 1.875 0.020 B 117 GLU HB3 H 1 1.875 0.020 B 117 GLU HG2 H 1 2.172 0.020 B 117 GLU HG3 H 1 2.172 0.020 B 118 THR HB H 1 4.065 0.020 B 118 THR HG2% H 1 1.179 0.020 B 119 PHE HBy H 1 2.598 0.020 B 119 PHE HBx H 1 1.873 0.020 B 119 PHE HD1 H 1 7.046 0.020 B 119 PHE HD2 H 1 7.046 0.020 B 119 PHE HE1 H 1 6.815 0.020 B 119 PHE HE2 H 1 6.815 0.020 B 119 PHE HZ H 1 6.349 0.020 B 120 SER HBy H 1 3.785 0.020 B 120 SER HBx H 1 3.652 0.020 B 121 ASP HBy H 1 2.760 0.020 B 121 ASP HBx H 1 2.520 0.020 B 122 LEU HBy H 1 1.629 0.020 B 122 LEU HBx H 1 1.057 0.020 B 122 LEU HDx% H 1 0.650 0.020 B 122 LEU HDy% H 1 0.589 0.020 B 122 LEU HG H 1 1.577 0.020 B 123 TRP HBy H 1 2.671 0.020 B 123 TRP HBx H 1 2.290 0.020 B 123 TRP HD1 H 1 6.922 0.020 B 123 TRP HE1 H 1 9.603 0.020 B 123 TRP HE3 H 1 7.216 0.020 B 123 TRP HH2 H 1 6.805 0.020 B 123 TRP HZ2 H 1 7.531 0.020 B 123 TRP HZ3 H 1 6.881 0.020 B 124 LYS HBy H 1 1.865 0.020 B 124 LYS HBx H 1 1.574 0.020 B 124 LYS HD2 H 1 1.562 0.020 B 124 LYS HD3 H 1 1.562 0.020 B 124 LYS HE2 H 1 2.890 0.020 B 124 LYS HE3 H 1 2.890 0.020 B 124 LYS HG2 H 1 1.201 0.020 B 124 LYS HG3 H 1 1.201 0.020 B 125 LEU HBy H 1 1.676 0.020 B 125 LEU HBx H 1 1.503 0.020 B 125 LEU HDx% H 1 0.793 0.020 B 125 LEU HDy% H 1 0.722 0.020 B 125 LEU HG H 1 1.633 0.020 B 126 LEU HBy H 1 1.326 0.020 B 126 LEU HBx H 1 1.224 0.020 B 126 LEU HDx% H 1 0.630 0.020 B 126 LEU HDy% H 1 -0.237 0.020 B 126 LEU HG H 1 1.105 0.020 B 127 PRO HB2 H 1 2.267 0.020 B 127 PRO HB3 H 1 2.267 0.020 B 127 PRO HDy H 1 3.684 0.020 B 127 PRO HDx H 1 3.511 0.020 B 127 PRO HGy H 1 1.956 0.020 B 127 PRO HGx H 1 1.890 0.020 B 128 GLU HBy H 1 1.949 0.020 B 128 GLU HBx H 1 1.852 0.020 B 128 GLU HGy H 1 2.188 0.020 B 128 GLU HGx H 1 2.110 0.020 B 129 ASN HBy H 1 2.505 0.020 B 129 ASN HBx H 1 2.380 0.020 B 129 ASN HD21 H 1 6.815 0.020 B 129 ASN HD22 H 1 6.345 0.020 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 57 ASP HBx A 58 LEU H 1.0 . 5.29 2 2 A 58 LEU H A 58 LEU HD1% 1.0 . 5.50 3 2 A 58 LEU H A 58 LEU HD2% 1.0 . 5.50 4 3 A 70 VAL H B 123 TRP HZ3 1.0 . 5.50 5 4 A 70 VAL H A 68 PHE HD% 1.0 . 5.50 6 5 A 5 VAL HA A 87 LEU H 1.0 . 4.01 7 6 A 87 LEU H A 87 LEU HB2 1.0 . 3.07 8 6 A 87 LEU H A 87 LEU HB3 1.0 . 3.07 9 7 A 87 LEU H A 87 LEU HDy% 1.0 . 4.19 10 8 A 53 TYR H A 43 LEU HD1% 1.0 . 5.50 11 8 A 43 LEU HD2% A 53 TYR H 1.0 . 5.50 12 9 A 53 TYR H A 53 TYR HD% 1.0 . 4.32 13 10 A 53 TYR H A 44 TYR HA 1.0 . 3.77 14 11 A 53 TYR H A 52 VAL HA 1.0 . 2.95 15 12 A 53 TYR H A 67 SER HBx 1.0 . 5.22 16 13 A 53 TYR H A 44 TYR H 1.0 . 5.01 17 14 A 15 LEU HBy A 17 ALA H 1.0 . 5.47 18 15 A 17 ALA H A 18 ALA H 1.0 . 3.32 19 16 A 17 ALA H A 16 HIS HB2 1.0 . 3.30 20 16 A 17 ALA H A 16 HIS HB3 1.0 . 3.30 21 17 A 17 ALA H A 14 ILE HA 1.0 . 3.97 22 18 A 15 LEU HBx A 20 ALA H 1.0 . 5.19 23 19 A 20 ALA H A 21 GLN H 1.0 . 4.61 24 20 A 44 TYR HE% A 46 GLN H 1.0 . 5.50 25 21 A 7 PRO HA A 85 VAL H 1.0 . 4.84 26 22 A 20 ALA H A 16 HIS HA 1.0 . 3.41 27 23 A 17 ALA H A 20 ALA H 1.0 . 4.91 28 24 A 20 ALA H A 18 ALA HB% 1.0 . 4.64 29 25 A 85 VAL H A 84 LEU HG 1.0 . 5.17 30 26 A 85 VAL H A 84 LEU HA 1.0 . 3.30 31 27 A 85 VAL H A 85 VAL HGx% 1.0 . 3.97 32 28 A 45 ASP H A 51 MET HBx 1.0 . 5.26 33 29 A 48 GLU H A 48 GLU HB2 1.0 . 3.31 34 29 A 48 GLU H A 48 GLU HB3 1.0 . 3.31 35 30 A 46 GLN H A 48 GLU H 1.0 . 4.61 36 31 A 48 GLU H A 45 ASP HBy 1.0 . 3.76 37 32 A 48 GLU H A 49 GLN HGy 1.0 . 5.18 38 33 A 48 GLU H A 47 GLN HG2 1.0 . 4.57 39 33 A 48 GLU H A 47 GLN HG3 1.0 . 4.57 40 34 A 45 ASP H A 44 TYR HBy 1.0 . 3.73 41 35 A 45 ASP H A 44 TYR HD% 1.0 . 4.23 42 36 A 52 VAL HA A 45 ASP H 1.0 . 4.14 43 37 A 45 ASP H A 45 ASP HBy 1.0 . 3.31 44 38 A 45 ASP H A 45 ASP HBx 1.0 . 3.36 45 39 A 45 ASP H A 52 VAL HGx% 1.0 . 5.40 46 40 A 45 ASP H A 51 MET HG2 1.0 . 5.50 47 40 A 45 ASP H A 51 MET HG3 1.0 . 5.50 48 41 A 27 VAL H A 3 ASN HBx 1.0 . 5.48 49 41 A 3 ASN HBy A 27 VAL H 1.0 . 5.48 50 42 A 38 ILE HG2% A 52 VAL H 1.0 . 5.50 51 43 A 79 MET HBy A 80 LEU H 1.0 . 3.89 52 44 A 80 LEU H A 80 LEU HBy 1.0 . 3.51 53 45 A 80 LEU H A 80 LEU HG 1.0 . 3.36 54 46 A 3 ASN H A 26 THR HG2% 1.0 . 4.78 55 47 A 80 LEU H A 80 LEU HDx% 1.0 . 4.02 56 48 A 52 VAL H A 52 VAL HGx% 1.0 . 4.01 57 49 A 52 VAL H A 52 VAL HB 1.0 . 3.44 58 50 A 27 VAL H A 29 GLU H 1.0 . 4.88 59 51 A 52 VAL H A 68 PHE HE% 1.0 . 5.19 60 52 A 52 VAL H A 69 SER HA 1.0 . 4.15 61 53 A 9 LEU HA A 12 LEU H 1.0 . 3.74 62 54 A 12 LEU H A 12 LEU HBy 1.0 . 3.31 63 55 A 59 LEU H A 61 GLU H 1.0 . 5.04 64 56 A 6 ARG H A 6 ARG HD2 1.0 . 5.50 65 56 A 6 ARG H A 6 ARG HD3 1.0 . 5.50 66 57 A 6 ARG H A 86 THR HA 1.0 . 5.28 67 58 A 6 ARG H A 7 PRO HDy 1.0 . 5.28 68 59 A 9 LEU H A 10 PRO HG2 1.0 . 4.35 69 59 A 9 LEU H A 10 PRO HG3 1.0 . 4.35 70 60 A 6 ARG H A 86 THR H 1.0 . 5.48 71 61 A 61 GLU H A 58 LEU HD1% 1.0 . 5.22 72 61 A 58 LEU HD2% A 61 GLU H 1.0 . 5.22 73 62 A 61 GLU H A 61 GLU HA 1.0 . 2.84 74 63 A 61 GLU H A 61 GLU HB2 1.0 . 2.66 75 63 A 61 GLU H A 61 GLU HB3 1.0 . 2.66 76 64 A 61 GLU H A 62 LEU HBx 1.0 . 4.65 77 65 A 85 VAL H A 6 ARG H 1.0 . 4.15 78 66 A 6 ARG H A 6 ARG HBy 1.0 . 3.46 79 67 A 6 ARG H A 6 ARG HBx 1.0 . 3.89 80 68 A 6 ARG H A 7 PRO HDx 1.0 . 5.50 81 69 A 9 LEU H A 9 LEU HD1% 1.0 . 5.50 82 69 A 9 LEU H A 9 LEU HD2% 1.0 . 5.50 83 70 A 9 LEU H A 10 PRO HDx 1.0 . 5.50 84 71 A 86 THR H A 85 VAL HGx% 1.0 . 4.86 85 72 A 87 LEU HDy% A 86 THR H 1.0 . 4.97 86 73 A 8 LYS H A 11 LEU HDx% 1.0 . 4.96 87 74 A 38 ILE HA A 40 VAL H 1.0 . 5.42 88 75 A 30 VAL HA A 34 LEU H 1.0 . 5.06 89 76 A 32 HIS H B 123 TRP HE1 1.0 . 5.50 90 77 A 32 HIS H A 33 TYR H 1.0 . 3.70 91 78 A 40 VAL H A 40 VAL HB 1.0 . 2.87 92 79 A 40 VAL H A 38 ILE HB 1.0 . 4.82 93 80 A 34 LEU H A 15 LEU HDx% 1.0 . 4.50 94 81 A 34 LEU H A 32 HIS H 1.0 . 4.94 95 82 A 34 LEU H A 33 TYR HD% 1.0 . 5.50 96 83 A 34 LEU H A 33 TYR HBx 1.0 . 4.70 97 84 A 32 HIS H A 32 HIS HD2 1.0 . 5.48 98 85 A 32 HIS H A 29 GLU HA 1.0 . 4.19 99 86 A 32 HIS H A 31 MET HG2 1.0 . 3.73 100 86 A 32 HIS H A 31 MET HG3 1.0 . 3.73 101 87 A 32 HIS H A 30 VAL HGy% 1.0 . 5.50 102 88 A 2 ILE H A 2 ILE HB 1.0 . 3.92 103 89 A 2 ILE H A 2 ILE HG2% 1.0 . 5.17 104 90 A 2 ILE H A 3 ASN HBx 1.0 . 5.50 105 90 A 3 ASN HBy A 2 ILE H 1.0 . 5.50 106 91 A 37 TYR H A 40 VAL HGx% 1.0 . 5.50 107 92 A 37 TYR H A 34 LEU HDx% 1.0 . 5.50 108 93 A 37 TYR H A 36 GLN H 1.0 . 3.74 109 94 A 37 TYR H A 38 ILE H 1.0 . 3.82 110 95 A 33 TYR HD% A 37 TYR H 1.0 . 5.50 111 96 A 37 TYR H A 37 TYR HD% 1.0 . 5.08 112 97 A 37 TYR H A 37 TYR HBy 1.0 . 3.37 113 98 A 37 TYR H A 37 TYR HBx 1.0 . 3.40 114 99 A 37 TYR H A 18 ALA HA 1.0 . 5.22 115 100 A 37 TYR H A 38 ILE HD1% 1.0 . 5.18 116 101 A 74 SER H A 74 SER HB2 1.0 . 3.10 117 101 A 74 SER H A 74 SER HB3 1.0 . 3.10 118 102 A 74 SER H A 75 PRO HDx 1.0 . 3.45 119 103 A 74 SER H A 75 PRO HBx 1.0 . 5.42 120 104 A 51 MET H A 52 VAL HGx% 1.0 . 5.26 121 105 A 29 GLU H A 27 VAL HA 1.0 . 5.03 122 106 A 45 ASP HBy A 51 MET H 1.0 . 4.60 123 107 A 51 MET H A 50 HIS H 1.0 . 3.32 124 108 A 51 MET HBx A 51 MET H 1.0 . 4.01 125 109 A 51 MET H A 50 HIS HBy 1.0 . 4.56 126 110 A 51 MET H A 51 MET HBy 1.0 . 3.48 127 111 A 77 TYR HD% A 78 ASP H 1.0 . 5.50 128 112 A 78 ASP H A 77 TYR HBy 1.0 . 4.42 129 113 A 78 ASP H A 77 TYR HBx 1.0 . 3.97 130 114 A 29 GLU H A 26 THR H 1.0 . 4.13 131 115 A 29 GLU H A 30 VAL H 1.0 . 3.58 132 116 A 29 GLU H A 29 GLU HBy 1.0 . 3.53 133 117 A 29 GLU H A 28 LYS HBx 1.0 . 4.15 134 118 A 26 THR HG2% A 29 GLU H 1.0 . 4.83 135 119 A 29 GLU H A 30 VAL HGx% 1.0 . 5.36 136 120 A 29 GLU H A 26 THR HB 1.0 . 3.58 137 121 A 13 LYS H A 14 ILE H 1.0 . 3.36 138 122 A 14 ILE H A 15 LEU H 1.0 . 3.21 139 123 A 14 ILE H A 11 LEU HA 1.0 . 4.19 140 124 A 14 ILE H A 14 ILE HB 1.0 . 2.69 141 125 A 14 ILE H A 14 ILE HG1y 1.0 . 3.36 142 126 A 14 ILE H A 12 LEU HDx% 1.0 . 4.88 143 127 A 14 ILE H A 14 ILE HG1x 1.0 . 3.47 144 128 A 14 ILE H A 14 ILE HG2% 1.0 . 4.09 145 129 A 29 GLU H A 31 MET H 1.0 . 5.50 146 130 A 57 ASP H A 57 ASP HBy 1.0 . 3.33 147 131 A 57 ASP HBx A 57 ASP H 1.0 . 3.36 148 132 A 57 ASP H A 43 LEU HD1% 1.0 . 4.87 149 132 A 43 LEU HD2% A 57 ASP H 1.0 . 4.87 150 133 A 58 LEU H A 57 ASP H 1.0 . 5.50 151 134 A 27 VAL HA A 30 VAL H 1.0 . 5.33 152 135 A 26 THR H A 30 VAL H 1.0 . 4.16 153 136 A 57 ASP H A 59 LEU HG 1.0 . 5.48 154 137 A 57 ASP H A 60 GLY HAx 1.0 . 5.03 155 137 A 57 ASP H A 60 GLY HAy 1.0 . 5.03 156 138 A 5 VAL H A 25 PHE H 1.0 . 3.82 157 139 A 25 PHE H A 25 PHE HD% 1.0 . 3.97 158 140 A 25 PHE H A 4 GLN HB2 1.0 . 4.30 159 140 A 25 PHE H A 4 GLN HB3 1.0 . 4.30 160 141 A 25 PHE H A 5 VAL HGx% 1.0 . 4.27 161 142 A 50 HIS H A 49 GLN H 1.0 . 4.04 162 143 A 5 VAL H A 4 GLN H 1.0 . 4.61 163 144 A 29 GLU H A 28 LYS H 1.0 . 3.86 164 145 A 28 LYS HBx A 28 LYS H 1.0 . 3.47 165 146 A 2 ILE HG2% A 28 LYS H 1.0 . 4.46 166 147 A 27 VAL H A 28 LYS H 1.0 . 3.40 167 148 A 26 THR HB A 28 LYS H 1.0 . 3.25 168 149 A 28 LYS H A 28 LYS HBy 1.0 . 3.46 169 150 A 28 LYS H A 28 LYS HGx 1.0 . 4.55 170 151 A 80 LEU H A 84 LEU H 1.0 . 4.67 171 152 A 84 LEU H A 80 LEU HA 1.0 . 4.59 172 153 A 49 GLN HGy A 49 GLN H 1.0 . 3.96 173 154 A 49 GLN H A 49 GLN HBx 1.0 . 3.99 174 155 A 49 GLN H A 49 GLN HGx 1.0 . 4.00 175 156 A 4 GLN H A 3 ASN HA 1.0 . 2.64 176 157 A 49 GLN H A 49 GLN HBy 1.0 . 3.72 177 158 A 4 GLN H A 4 GLN HB2 1.0 . 3.11 178 158 A 4 GLN HB3 A 4 GLN H 1.0 . 3.11 179 159 A 28 LYS H A 28 LYS HEy 1.0 . 5.12 180 160 A 36 GLN H B 119 PHE HE% 1.0 . 5.50 181 161 A 36 GLN H A 37 TYR HBx 1.0 . 5.24 182 162 A 84 LEU H A 83 ASN H 1.0 . 3.15 183 163 A 84 LEU H A 84 LEU HBy 1.0 . 3.37 184 164 A 84 LEU H A 84 LEU HBx 1.0 . 3.60 185 165 A 84 LEU H A 84 LEU HDx% 1.0 . 4.18 186 166 A 84 LEU H A 83 ASN HBx 1.0 . 4.60 187 167 A 57 ASP HBx A 59 LEU H 1.0 . 4.65 188 168 A 59 LEU H A 59 LEU HBx 1.0 . 3.26 189 169 A 59 LEU H A 14 ILE HD1% 1.0 . 5.06 190 170 A 61 GLU H A 62 LEU H 1.0 . 3.18 191 171 A 36 GLN H A 37 TYR HBy 1.0 . 5.23 192 172 A 62 LEU H A 61 GLU HB2 1.0 . 3.17 193 172 A 61 GLU HB3 A 62 LEU H 1.0 . 3.17 194 173 A 62 LEU HBx A 62 LEU H 1.0 . 2.91 195 174 A 62 LEU H A 62 LEU HDx% 1.0 . 4.12 196 174 A 62 LEU H A 62 LEU HDy% 1.0 . 4.12 197 175 A 33 TYR HD% A 36 GLN H 1.0 . 5.35 198 176 A 36 GLN H A 36 GLN HG2 1.0 . 3.06 199 176 A 36 GLN H A 36 GLN HG3 1.0 . 3.06 200 177 A 80 LEU H A 79 MET H 1.0 . 3.46 201 178 A 78 ASP H A 79 MET H 1.0 . 3.57 202 179 A 79 MET H A 76 LEU HA 1.0 . 4.03 203 180 A 79 MET HBy A 79 MET H 1.0 . 3.07 204 181 A 79 MET H A 79 MET HBx 1.0 . 3.18 205 182 A 88 ALA HA A 89 THR H 1.0 . 3.10 206 183 A 89 THR H A 88 ALA HB% 1.0 . 4.48 207 184 A 79 MET H A 78 ASP HBy 1.0 . 3.34 208 185 A 79 MET H A 80 LEU HDx% 1.0 . 5.11 209 186 A 79 MET H A 63 LEU HDy% 1.0 . 4.74 210 187 A 18 ALA H A 14 ILE HG2% 1.0 . 5.35 211 188 A 18 ALA H A 16 HIS H 1.0 . 4.48 212 189 A 18 ALA H A 16 HIS HA 1.0 . 4.55 213 190 A 18 ALA H A 15 LEU HDx% 1.0 . 5.50 214 191 A 18 ALA H A 15 LEU HA 1.0 . 4.50 215 192 A 18 ALA H A 14 ILE HA 1.0 . 5.23 216 193 A 18 ALA H A 40 VAL HGy% 1.0 . 5.48 217 194 A 17 ALA H A 16 HIS H 1.0 . 3.39 218 195 A 15 LEU H A 16 HIS H 1.0 . 3.36 219 196 A 14 ILE H A 16 HIS H 1.0 . 4.84 220 197 A 16 HIS H A 16 HIS HD2 1.0 . 4.58 221 198 A 14 ILE HA A 16 HIS H 1.0 . 4.72 222 199 A 16 HIS H A 16 HIS HB2 1.0 . 3.02 223 199 A 16 HIS HB3 A 16 HIS H 1.0 . 3.02 224 200 A 16 HIS H A 17 ALA HB% 1.0 . 4.50 225 201 A 15 LEU HBy A 16 HIS H 1.0 . 3.66 226 202 A 12 LEU HDx% A 16 HIS H 1.0 . 4.94 227 203 A 18 ALA H A 20 ALA HB% 1.0 . 5.19 228 204 A 80 LEU H A 77 TYR H 1.0 . 4.99 229 205 A 77 TYR HBx A 77 TYR H 1.0 . 3.59 230 206 A 78 ASP H A 77 TYR H 1.0 . 3.57 231 207 A 77 TYR HBy A 77 TYR H 1.0 . 3.82 232 208 A 77 TYR H A 76 LEU HBx 1.0 . 4.65 233 209 A 33 TYR H A 32 HIS HD2 1.0 . 4.77 234 210 A 18 ALA HB% A 33 TYR H 1.0 . 5.50 235 211 A 33 TYR H A 33 TYR HD% 1.0 . 4.14 236 212 A 33 TYR H A 34 LEU HDx% 1.0 . 5.40 237 213 A 21 GLN H A 25 PHE HE% 1.0 . 4.53 238 214 A 38 ILE H A 34 LEU HA 1.0 . 5.50 239 215 A 78 ASP H A 76 LEU H 1.0 . 4.52 240 216 A 77 TYR HBx A 76 LEU H 1.0 . 5.50 241 217 A 76 LEU H A 76 LEU HBy 1.0 . 3.37 242 218 A 75 PRO HBx A 76 LEU H 1.0 . 4.26 243 219 A 75 PRO HDx A 76 LEU H 1.0 . 3.77 244 220 A 76 LEU H A 63 LEU HDx% 1.0 . 5.40 245 221 A 21 GLN H A 21 GLN HE22 1.0 . 5.26 246 222 A 53 TYR HBx A 54 CYS H 1.0 . 5.36 247 223 A 80 LEU H A 81 ARG H 1.0 . 4.16 248 224 A 81 ARG H A 82 LYS H 1.0 . 3.59 249 225 A 81 ARG H A 81 ARG HBx 1.0 . 3.39 250 226 A 81 ARG H A 80 LEU HDx% 1.0 . 5.50 251 227 A 81 ARG H A 81 ARG HD2 1.0 . 5.27 252 227 A 81 ARG H A 81 ARG HD3 1.0 . 5.27 253 228 A 38 ILE H A 36 GLN HA 1.0 . 4.97 254 229 A 40 VAL H A 38 ILE H 1.0 . 5.50 255 230 A 38 ILE H A 37 TYR HD% 1.0 . 4.60 256 231 A 38 ILE H A 37 TYR HBy 1.0 . 3.64 257 232 A 38 ILE H A 38 ILE HG1y 1.0 . 3.66 258 233 A 38 ILE HB A 38 ILE H 1.0 . 3.33 259 234 A 38 ILE H A 38 ILE HD1% 1.0 . 4.02 260 235 A 40 VAL HB A 38 ILE H 1.0 . 5.50 261 236 A 53 TYR HD% A 54 CYS H 1.0 . 4.56 262 237 A 54 CYS H A 59 LEU HDx% 1.0 . 5.50 263 238 A 54 CYS H A 55 GLY H 1.0 . 3.74 264 239 A 54 CYS H A 53 TYR HA 1.0 . 2.82 265 240 A 54 CYS H A 54 CYS HBx 1.0 . 4.12 266 241 A 54 CYS H A 52 VAL HGy% 1.0 . 5.19 267 242 A 15 LEU H A 11 LEU HA 1.0 . 4.79 268 243 A 15 LEU H A 14 ILE HB 1.0 . 2.85 269 244 A 15 LEU HBy A 15 LEU H 1.0 . 3.47 270 245 A 15 LEU H A 14 ILE HG1x 1.0 . 3.91 271 246 A 15 LEU H A 12 LEU HDx% 1.0 . 5.49 272 247 A 40 VAL H A 41 LYS H 1.0 . 3.54 273 248 A 41 LYS H A 42 GLN HA 1.0 . 4.76 274 249 A 38 ILE HA A 41 LYS H 1.0 . 5.15 275 250 A 41 LYS H A 41 LYS HBx 1.0 . 3.33 276 251 A 41 LYS H A 41 LYS HG2 1.0 . 3.59 277 251 A 41 LYS H A 41 LYS HG3 1.0 . 3.59 278 252 A 70 VAL H A 72 ASP H 1.0 . 5.01 279 253 A 44 TYR HE% A 39 MET H 1.0 . 5.50 280 254 A 37 TYR H A 39 MET H 1.0 . 5.49 281 255 B 119 PHE HE% A 39 MET H 1.0 . 5.36 282 256 A 44 TYR HD% A 39 MET H 1.0 . 5.50 283 257 A 37 TYR HBy A 39 MET H 1.0 . 5.04 284 258 A 40 VAL H A 39 MET H 1.0 . 3.63 285 259 A 38 ILE H A 39 MET H 1.0 . 3.81 286 260 A 39 MET H A 39 MET HG2 1.0 . 3.20 287 260 A 39 MET H A 39 MET HG3 1.0 . 3.20 288 261 A 39 MET H A 38 ILE HG1y 1.0 . 5.28 289 262 A 40 VAL HGx% A 39 MET H 1.0 . 5.50 290 263 A 39 MET H A 38 ILE HG1x 1.0 . 4.89 291 264 A 38 ILE HG2% A 39 MET H 1.0 . 5.15 292 265 A 72 ASP H A 71 LYS H 1.0 . 3.13 293 266 A 72 ASP H A 72 ASP HBy 1.0 . 3.63 294 267 A 72 ASP H A 70 VAL HGy% 1.0 . 5.05 295 268 A 69 SER HA A 72 ASP H 1.0 . 4.88 296 269 A 65 ARG HGx A 66 GLN H 1.0 . 5.50 297 270 A 42 GLN H A 43 LEU HD1% 1.0 . 5.50 298 270 A 43 LEU HD2% A 42 GLN H 1.0 . 5.50 299 271 A 42 GLN H A 43 LEU HA 1.0 . 5.50 300 272 A 42 GLN H A 40 VAL HA 1.0 . 4.63 301 273 A 42 GLN H A 42 GLN HG2 1.0 . 3.83 302 273 A 42 GLN H A 42 GLN HG3 1.0 . 3.83 303 274 A 42 GLN H A 41 LYS HBy 1.0 . 4.58 304 275 A 40 VAL H A 42 GLN H 1.0 . 4.43 305 276 A 41 LYS H A 42 GLN H 1.0 . 2.97 306 277 A 44 TYR HD% A 42 GLN H 1.0 . 5.33 307 278 A 42 GLN H A 42 GLN HB2 1.0 . 3.51 308 278 A 42 GLN H A 42 GLN HB3 1.0 . 3.51 309 279 A 44 TYR HE% A 42 GLN H 1.0 . 4.75 310 280 A 38 ILE HA A 42 GLN H 1.0 . 5.50 311 281 A 23 GLU HBy A 24 MET H 1.0 . 5.50 312 282 A 24 MET H A 23 GLU H 1.0 . 3.15 313 283 A 24 MET H A 22 GLY HAx 1.0 . 4.12 314 284 A 24 MET H A 22 GLY HAy 1.0 . 4.76 315 285 A 24 MET H A 23 GLU HBx 1.0 . 3.83 316 286 A 68 PHE HD% A 68 PHE H 1.0 . 4.15 317 287 A 52 VAL HB A 68 PHE H 1.0 . 4.11 318 288 A 68 PHE H A 52 VAL HGx% 1.0 . 5.32 319 289 A 31 MET H A 32 HIS HBx 1.0 . 5.50 320 290 A 31 MET H A 28 LYS HA 1.0 . 4.35 321 291 A 31 MET H A 31 MET HG2 1.0 . 3.39 322 291 A 31 MET HG3 A 31 MET H 1.0 . 3.39 323 292 A 30 VAL HGx% A 31 MET H 1.0 . 3.86 324 293 A 29 GLU HBy A 31 MET H 1.0 . 5.50 325 294 A 46 GLN HE21 A 47 GLN H 1.0 . 5.50 326 295 A 63 LEU H A 64 GLY H 1.0 . 3.69 327 296 A 62 LEU H A 63 LEU H 1.0 . 3.42 328 297 A 63 LEU H A 62 LEU HA 1.0 . 3.49 329 298 A 63 LEU H A 63 LEU HBy 1.0 . 3.07 330 299 A 63 LEU H A 63 LEU HBx 1.0 . 3.55 331 300 A 63 LEU H A 62 LEU HDx% 1.0 . 4.51 332 300 A 62 LEU HDy% A 63 LEU H 1.0 . 4.51 333 301 A 46 GLN H A 47 GLN H 1.0 . 3.51 334 302 A 45 ASP HBy A 47 GLN H 1.0 . 4.75 335 303 A 47 GLN H A 48 GLU HB2 1.0 . 4.65 336 303 A 48 GLU HB3 A 47 GLN H 1.0 . 4.65 337 304 A 71 LYS H A 50 HIS HA 1.0 . 5.34 338 305 A 71 LYS H A 50 HIS HBx 1.0 . 4.69 339 306 A 71 LYS H A 71 LYS HBy 1.0 . 4.10 340 307 A 71 LYS H A 50 HIS HBy 1.0 . 4.68 341 308 A 71 LYS H A 70 VAL HGy% 1.0 . 3.98 342 309 A 70 VAL H A 71 LYS H 1.0 . 3.86 343 310 A 71 LYS H A 70 VAL HGx% 1.0 . 3.95 344 311 A 13 LYS H A 13 LYS HE2 1.0 . 5.50 345 311 A 13 LYS H A 13 LYS HE3 1.0 . 5.50 346 312 A 12 LEU H A 13 LYS H 1.0 . 3.62 347 313 A 13 LYS H A 13 LYS HGy 1.0 . 3.41 348 314 A 13 LYS H A 15 LEU H 1.0 . 5.50 349 315 A 82 LYS H A 81 ARG HD2 1.0 . 5.50 350 315 A 82 LYS H A 81 ARG HD3 1.0 . 5.50 351 316 A 23 GLU H A 23 GLU HGx 1.0 . 4.32 352 317 A 23 GLU H A 23 GLU HBx 1.0 . 4.07 353 318 A 12 LEU HDx% A 23 GLU H 1.0 . 5.50 354 319 A 82 LYS H A 82 LYS HBy 1.0 . 3.69 355 320 A 82 LYS H A 82 LYS HD2 1.0 . 3.71 356 320 A 82 LYS H A 82 LYS HD3 1.0 . 3.71 357 321 A 82 LYS H A 82 LYS HGy 1.0 . 4.08 358 322 A 80 LEU H A 82 LYS H 1.0 . 5.50 359 323 A 87 LEU H A 5 VAL H 1.0 . 5.50 360 324 A 83 ASN H A 84 LEU HBx 1.0 . 4.58 361 325 A 83 ASN H A 62 LEU HDx% 1.0 . 4.78 362 325 A 83 ASN H A 62 LEU HDy% 1.0 . 4.78 363 326 A 83 ASN H A 82 LYS H 1.0 . 3.37 364 327 A 83 ASN H A 80 LEU HBx 1.0 . 5.26 365 328 A 26 THR H A 5 VAL H 1.0 . 5.22 366 329 A 6 ARG H A 5 VAL H 1.0 . 5.08 367 330 A 5 VAL H A 4 GLN HGy 1.0 . 5.24 368 331 A 5 VAL H A 4 GLN HB2 1.0 . 3.62 369 331 A 5 VAL H A 4 GLN HB3 1.0 . 3.62 370 332 A 5 VAL H A 5 VAL HGx% 1.0 . 3.51 371 333 A 72 ASP H A 69 SER H 1.0 . 5.37 372 334 A 68 PHE HD% A 69 SER H 1.0 . 4.17 373 335 A 69 SER H A 68 PHE HBy 1.0 . 3.52 374 336 A 69 SER H A 75 PRO HGx 1.0 . 4.91 375 337 A 68 PHE H A 69 SER H 1.0 . 5.50 376 338 A 69 SER H A 72 ASP HBx 1.0 . 5.50 377 339 A 26 THR HG2% A 5 VAL H 1.0 . 5.50 378 340 A 83 ASN HBx A 83 ASN HD21 1.0 . 4.09 379 341 A 83 ASN HD21 A 84 LEU HDy% 1.0 . 4.94 380 342 A 65 ARG H A 65 ARG HD2 1.0 . 5.18 381 342 A 65 ARG H A 65 ARG HD3 1.0 . 5.18 382 343 A 63 LEU HBy A 65 ARG H 1.0 . 3.47 383 344 A 65 ARG H A 65 ARG HBx 1.0 . 3.34 384 345 A 63 LEU HBx A 65 ARG H 1.0 . 3.66 385 346 A 63 LEU HDx% A 65 ARG H 1.0 . 4.66 386 347 A 83 ASN HD22 A 82 LYS HD2 1.0 . 5.47 387 347 A 82 LYS HD3 A 83 ASN HD22 1.0 . 5.47 388 348 A 83 ASN HD22 A 62 LEU HG 1.0 . 5.43 389 349 A 83 ASN HD22 A 62 LEU HDx% 1.0 . 4.75 390 349 A 62 LEU HDy% A 83 ASN HD22 1.0 . 4.75 391 350 A 12 LEU H A 11 LEU H 1.0 . 3.04 392 351 A 11 LEU H A 11 LEU HBx 1.0 . 3.50 393 352 A 83 ASN HD21 A 62 LEU HG 1.0 . 5.50 394 353 A 83 ASN HD21 A 79 MET HE% 1.0 . 5.50 395 354 A 36 GLN HA A 36 GLN HE21 1.0 . 4.56 396 355 A 36 GLN HE21 A 36 GLN HG2 1.0 . 3.58 397 355 A 36 GLN HG3 A 36 GLN HE21 1.0 . 3.58 398 356 A 36 GLN HE22 A 36 GLN HG2 1.0 . 3.95 399 356 A 36 GLN HG3 A 36 GLN HE22 1.0 . 3.95 400 357 A 44 TYR H A 42 GLN HG2 1.0 . 5.48 401 357 A 44 TYR H A 42 GLN HG3 1.0 . 5.48 402 358 A 44 TYR H A 43 LEU H 1.0 . 3.32 403 359 A 44 TYR H A 46 GLN HE21 1.0 . 4.57 404 360 A 44 TYR H A 46 GLN HE22 1.0 . 5.04 405 361 A 44 TYR H A 42 GLN HA 1.0 . 4.12 406 362 A 44 TYR H A 44 TYR HBy 1.0 . 4.09 407 363 A 44 TYR H A 44 TYR HBx 1.0 . 4.15 408 364 A 44 TYR H A 38 ILE HG2% 1.0 . 4.27 409 365 A 44 TYR HBy A 43 LEU H 1.0 . 4.39 410 366 A 42 GLN H A 43 LEU H 1.0 . 3.98 411 367 A 44 TYR HD% A 43 LEU H 1.0 . 3.62 412 368 A 43 LEU H A 42 GLN HG2 1.0 . 4.85 413 368 A 42 GLN HG3 A 43 LEU H 1.0 . 4.85 414 369 A 18 ALA HB% A 36 GLN HE21 1.0 . 5.50 415 370 A 18 ALA HB% A 36 GLN HE22 1.0 . 5.50 416 371 A 36 GLN HA A 36 GLN HE22 1.0 . 4.93 417 372 A 43 LEU H A 39 MET HA 1.0 . 4.99 418 373 A 3 ASN HA A 3 ASN HD22 1.0 . 2.54 419 374 A 55 GLY H A 54 CYS HBy 1.0 . 5.50 420 375 A 46 GLN HBy A 47 GLN HE21 1.0 . 5.28 421 376 A 47 GLN HE21 A 47 GLN HA 1.0 . 5.50 422 377 A 88 ALA HB% A 3 ASN HD22 1.0 . 5.50 423 378 A 4 GLN HGy A 3 ASN HD22 1.0 . 5.50 424 379 A 46 GLN HE22 A 44 TYR HBx 1.0 . 5.00 425 380 A 55 GLY H A 53 TYR HBy 1.0 . 5.29 426 381 A 55 GLY H A 66 GLN HBx 1.0 . 5.37 427 382 A 53 TYR HD% A 55 GLY H 1.0 . 5.50 428 383 A 55 GLY H A 54 CYS HBx 1.0 . 4.87 429 384 A 55 GLY H A 67 SER HA 1.0 . 5.04 430 385 A 4 GLN H A 3 ASN HD21 1.0 . 4.83 431 386 A 46 GLN HE21 A 47 GLN HE21 1.0 . 4.55 432 387 A 46 GLN HE21 A 46 GLN HG2 1.0 . 4.08 433 387 A 46 GLN HE21 A 46 GLN HG3 1.0 . 4.08 434 388 A 46 GLN HE21 A 46 GLN HBy 1.0 . 5.39 435 389 A 46 GLN HE21 A 47 GLN HE22 1.0 . 3.83 436 390 A 16 HIS HA A 21 GLN HE22 1.0 . 2.90 437 391 A 21 GLN HE22 A 21 GLN HBy 1.0 . 5.50 438 392 A 41 LYS HA A 42 GLN HE21 1.0 . 5.50 439 393 A 42 GLN HE22 A 41 LYS HE2 1.0 . 5.50 440 393 A 41 LYS HE3 A 42 GLN HE22 1.0 . 5.50 441 394 A 43 LEU H A 42 GLN HE21 1.0 . 4.81 442 395 A 42 GLN HA A 42 GLN HE22 1.0 . 4.74 443 396 A 26 THR HG2% A 4 GLN HE22 1.0 . 5.16 444 397 A 68 PHE HD% A 67 SER H 1.0 . 5.47 445 398 A 68 PHE H A 67 SER H 1.0 . 5.10 446 399 A 67 SER H A 65 ARG HBy 1.0 . 3.36 447 400 A 65 ARG HBx A 67 SER H 1.0 . 3.74 448 401 A 67 SER H A 66 GLN HG2 1.0 . 4.97 449 401 A 67 SER H A 66 GLN HG3 1.0 . 4.97 450 402 A 3 ASN HA A 4 GLN HE22 1.0 . 3.84 451 403 A 4 GLN HE22 A 3 ASN HBx 1.0 . 5.50 452 403 A 3 ASN HBy A 4 GLN HE22 1.0 . 5.50 453 404 A 26 THR H A 5 VAL HGy% 1.0 . 5.50 454 405 A 26 THR H A 25 PHE HD% 1.0 . 4.57 455 406 A 26 THR H A 29 GLU HBy 1.0 . 3.58 456 407 A 26 THR HG2% A 26 THR H 1.0 . 3.72 457 408 A 26 THR H A 5 VAL HGx% 1.0 . 5.50 458 409 A 46 GLN HA A 49 GLN HE22 1.0 . 4.75 459 410 A 49 GLN HE22 A 49 GLN HA 1.0 . 5.46 460 411 A 49 GLN HA A 49 GLN HE21 1.0 . 5.18 461 412 A 47 GLN HA A 49 GLN HE21 1.0 . 5.50 462 413 A 49 GLN HBx A 49 GLN HE21 1.0 . 5.50 463 414 A 49 GLN HE21 B 118 THR HG2% 1.0 . 5.50 464 415 A 49 GLN HE22 B 118 THR HG2% 1.0 . 5.50 465 416 A 49 GLN H A 49 GLN HE21 1.0 . 5.50 466 417 A 21 GLN HBy A 22 GLY H 1.0 . 4.85 467 418 A 22 GLY H A 21 GLN HA 1.0 . 3.39 468 419 A 12 LEU HDx% A 22 GLY H 1.0 . 5.21 469 420 A 64 GLY H A 63 LEU HBx 1.0 . 4.39 470 421 A 64 GLY H A 65 ARG H 1.0 . 3.15 471 422 A 64 GLY H A 63 LEU HBy 1.0 . 3.98 472 423 A 64 GLY H A 65 ARG HGy 1.0 . 4.95 473 424 A 64 GLY H A 62 LEU HDx% 1.0 . 5.50 474 424 A 62 LEU HDy% A 64 GLY H 1.0 . 5.50 475 425 A 64 GLY H A 65 ARG HE 1.0 . 5.29 476 426 A 63 LEU HDx% A 64 GLY H 1.0 . 5.28 477 427 A 50 HIS H A 70 VAL HGy% 1.0 . 5.48 478 428 A 50 HIS H A 49 GLN HBy 1.0 . 5.50 479 429 A 50 HIS H B 122 LEU HDx% 1.0 . 5.50 480 430 A 50 HIS H A 71 LYS HBx 1.0 . 5.50 481 431 A 50 HIS H A 48 GLU HB2 1.0 . 4.78 482 431 A 48 GLU HB3 A 50 HIS H 1.0 . 4.78 483 432 A 50 HIS H A 50 HIS HBx 1.0 . 3.67 484 433 A 50 HIS H B 122 LEU HDy% 1.0 . 4.65 485 434 A 59 LEU HDx% A 60 GLY H 1.0 . 5.50 486 435 A 32 HIS HA A 35 GLY H 1.0 . 5.16 487 436 A 35 GLY H A 34 LEU HDy% 1.0 . 5.09 488 437 A 59 LEU H A 60 GLY H 1.0 . 3.53 489 438 A 57 ASP HBy A 60 GLY H 1.0 . 3.92 490 439 A 63 LEU H A 60 GLY H 1.0 . 5.05 491 440 B 119 PHE HE% A 35 GLY H 1.0 . 5.50 492 441 B 123 TRP HE1 A 35 GLY H 1.0 . 4.13 493 442 A 37 TYR H A 35 GLY H 1.0 . 4.76 494 443 A 35 GLY H A 34 LEU HBy 1.0 . 3.97 495 444 A 35 GLY H A 34 LEU HBx 1.0 . 3.81 496 445 A 34 LEU H A 35 GLY H 1.0 . 3.47 497 446 A 20 ALA HB% A 19 GLY H 1.0 . 4.81 498 447 A 17 ALA H A 19 GLY H 1.0 . 5.01 499 448 A 16 HIS HA A 19 GLY H 1.0 . 4.06 500 449 A 19 GLY H A 17 ALA HA 1.0 . 4.15 501 450 A 18 ALA HB% A 19 GLY H 1.0 . 4.17 502 451 A 27 VAL H A 26 THR HB 1.0 . 3.21 503 452 A 89 THR H A 89 THR HB 1.0 . 4.15 504 453 A 86 THR H A 86 THR HB 1.0 . 3.78 505 454 A 87 LEU H A 86 THR HB 1.0 . 3.88 506 455 A 27 VAL HA A 30 VAL HB 1.0 . 3.09 507 456 A 27 VAL HA A 27 VAL HGy% 1.0 . 3.10 508 457 A 30 VAL HA A 15 LEU HDy% 1.0 . 4.00 509 458 A 30 VAL HA A 33 TYR H 1.0 . 3.98 510 459 A 30 VAL HA A 33 TYR HBx 1.0 . 4.17 511 460 A 30 VAL HA A 30 VAL HGx% 1.0 . 2.88 512 461 A 10 PRO HA A 9 LEU HD1% 1.0 . 4.73 513 461 A 9 LEU HD2% A 10 PRO HA 1.0 . 4.73 514 462 A 51 MET HE% A 67 SER HBy 1.0 . 4.62 515 463 A 67 SER HBy A 53 TYR HE% 1.0 . 4.59 516 464 A 68 PHE H A 67 SER HBy 1.0 . 4.19 517 465 A 54 CYS H A 67 SER HBy 1.0 . 5.12 518 466 A 53 TYR HD% A 67 SER HBy 1.0 . 3.91 519 467 A 53 TYR HA A 67 SER HBy 1.0 . 3.35 520 468 A 67 SER HBx A 54 CYS H 1.0 . 4.17 521 469 A 53 TYR HD% A 67 SER HBx 1.0 . 4.18 522 470 A 67 SER HBx A 68 PHE H 1.0 . 3.40 523 471 A 67 SER HBx A 53 TYR HE% 1.0 . 4.35 524 472 A 67 SER HBx A 53 TYR HA 1.0 . 3.35 525 473 A 78 ASP H A 75 PRO HA 1.0 . 3.84 526 474 A 75 PRO HA A 74 SER HB2 1.0 . 4.10 527 474 A 74 SER HB3 A 75 PRO HA 1.0 . 4.10 528 475 A 78 ASP HBy A 75 PRO HA 1.0 . 3.06 529 476 A 40 VAL HB A 40 VAL HA 1.0 . 2.74 530 477 A 40 VAL HGx% A 40 VAL HA 1.0 . 3.15 531 478 A 38 ILE HA A 38 ILE HG1y 1.0 . 3.83 532 479 A 38 ILE HA A 37 TYR HD% 1.0 . 4.01 533 480 A 38 ILE HA A 52 VAL HGy% 1.0 . 4.87 534 481 A 69 SER H A 69 SER HBy 1.0 . 3.67 535 482 A 69 SER HBy A 51 MET HA 1.0 . 3.75 536 483 A 70 VAL H A 69 SER HBy 1.0 . 4.13 537 484 A 72 ASP H A 70 VAL HA 1.0 . 3.86 538 485 B 123 TRP HZ3 A 70 VAL HA 1.0 . 4.54 539 486 A 70 VAL HA A 71 LYS HA 1.0 . 4.82 540 487 A 72 ASP H A 69 SER HBx 1.0 . 4.11 541 488 A 72 ASP HBy A 69 SER HBx 1.0 . 4.01 542 489 A 69 SER H A 69 SER HBx 1.0 . 3.51 543 490 A 77 TYR HBx A 74 SER HA 1.0 . 4.06 544 491 A 72 ASP HBy A 69 SER HBy 1.0 . 4.25 545 492 A 68 PHE HD% A 70 VAL HA 1.0 . 3.81 546 493 A 14 ILE HA A 14 ILE HG1y 1.0 . 3.70 547 494 A 76 LEU H A 73 PRO HA 1.0 . 4.52 548 495 A 76 LEU H A 74 SER HA 1.0 . 4.43 549 496 A 18 ALA HB% A 33 TYR HA 1.0 . 4.34 550 497 A 14 ILE HA A 14 ILE HB 1.0 . 3.02 551 498 A 14 ILE HA A 14 ILE HG1x 1.0 . 3.36 552 499 A 14 ILE HA A 14 ILE HD1% 1.0 . 4.42 553 500 A 33 TYR HA A 33 TYR HE% 1.0 . 4.63 554 501 A 36 GLN H A 33 TYR HA 1.0 . 3.63 555 502 A 33 TYR HD% A 33 TYR HA 1.0 . 3.15 556 503 A 86 THR HA A 87 LEU HG 1.0 . 4.36 557 504 A 37 TYR H A 33 TYR HA 1.0 . 4.45 558 505 A 40 VAL HGx% A 37 TYR HA 1.0 . 3.94 559 506 A 86 THR HA A 85 VAL HGy% 1.0 . 4.49 560 506 A 86 THR HA A 85 VAL HGx% 1.0 . 4.49 561 507 A 87 LEU H A 86 THR HA 1.0 . 2.87 562 508 A 86 THR HA A 86 THR HB 1.0 . 2.66 563 509 A 40 VAL HB A 37 TYR HA 1.0 . 4.07 564 510 A 37 TYR HD% A 37 TYR HA 1.0 . 3.81 565 511 A 18 ALA HA A 37 TYR HA 1.0 . 4.09 566 512 A 7 PRO HA A 8 LYS H 1.0 . 3.01 567 513 A 7 PRO HA A 11 LEU HBy 1.0 . 3.49 568 514 A 7 PRO HA A 85 VAL HGy% 1.0 . 4.32 569 514 A 7 PRO HA A 85 VAL HGx% 1.0 . 4.32 570 515 A 7 PRO HA A 11 LEU HDx% 1.0 . 3.28 571 516 A 86 THR H A 85 VAL HA 1.0 . 3.15 572 517 A 85 VAL HA A 85 VAL HGy% 1.0 . 3.08 573 517 A 85 VAL HGx% A 85 VAL HA 1.0 . 3.08 574 518 A 76 LEU H A 74 SER HB2 1.0 . 4.23 575 518 A 74 SER HB3 A 76 LEU H 1.0 . 4.23 576 519 A 75 PRO HDx A 74 SER HB2 1.0 . 3.76 577 519 A 74 SER HB3 A 75 PRO HDx 1.0 . 3.76 578 520 A 75 PRO HGx A 74 SER HB2 1.0 . 4.16 579 520 A 74 SER HB3 A 75 PRO HGx 1.0 . 4.16 580 521 A 74 SER HA A 74 SER HB2 1.0 . 2.67 581 521 A 74 SER HB3 A 74 SER HA 1.0 . 2.67 582 522 A 40 VAL H A 37 TYR HA 1.0 . 4.40 583 523 A 36 GLN H A 37 TYR HA 1.0 . 5.34 584 524 A 5 VAL HGy% A 26 THR HA 1.0 . 4.59 585 525 A 27 VAL H A 2 ILE HA 1.0 . 4.21 586 526 A 3 ASN H A 2 ILE HA 1.0 . 3.46 587 527 A 2 ILE HA A 2 ILE HG1y 1.0 . 4.08 588 528 A 2 ILE HA A 2 ILE HG1x 1.0 . 3.87 589 529 A 2 ILE HG2% A 2 ILE HA 1.0 . 3.32 590 530 A 80 LEU HBy A 77 TYR HA 1.0 . 3.61 591 531 A 80 LEU HBx A 77 TYR HA 1.0 . 4.18 592 532 A 77 TYR HA A 80 LEU HDx% 1.0 . 3.89 593 533 A 80 LEU H A 77 TYR HA 1.0 . 4.04 594 534 A 52 VAL HA A 52 VAL HGx% 1.0 . 3.41 595 535 A 52 VAL HA A 51 MET HA 1.0 . 4.79 596 536 A 5 VAL H A 26 THR HA 1.0 . 3.86 597 537 A 27 VAL H A 26 THR HA 1.0 . 2.81 598 538 A 26 THR HB A 26 THR HA 1.0 . 2.84 599 539 A 32 HIS HD2 A 32 HIS HA 1.0 . 4.63 600 540 B 123 TRP HE1 A 32 HIS HA 1.0 . 4.20 601 541 A 28 LYS HA A 28 LYS HGy 1.0 . 4.08 602 542 A 28 LYS HA A 27 VAL HGy% 1.0 . 4.62 603 543 A 28 LYS HA A 31 MET HG2 1.0 . 3.72 604 543 A 31 MET HG3 A 28 LYS HA 1.0 . 3.72 605 544 A 28 LYS HA A 31 MET HBx 1.0 . 4.57 606 545 A 9 LEU HA A 9 LEU HB2 1.0 . 2.62 607 545 A 9 LEU HA A 9 LEU HB3 1.0 . 2.62 608 546 A 9 LEU HA A 11 LEU H 1.0 . 4.26 609 547 A 16 HIS H A 13 LYS HA 1.0 . 3.98 610 548 A 13 LYS HA A 16 HIS HB2 1.0 . 3.37 611 548 A 16 HIS HB3 A 13 LYS HA 1.0 . 3.37 612 549 A 13 LYS HA A 13 LYS HBy 1.0 . 2.95 613 550 A 29 GLU HA A 32 HIS HBy 1.0 . 3.25 614 551 A 81 ARG HBx A 81 ARG HA 1.0 . 2.90 615 552 A 79 MET HBx A 79 MET HA 1.0 . 2.62 616 553 A 44 TYR HE% A 39 MET HA 1.0 . 3.16 617 554 A 44 TYR HD% A 39 MET HA 1.0 . 3.91 618 555 A 39 MET HA A 39 MET HBx 1.0 . 2.82 619 556 A 5 VAL HA A 6 ARG H 1.0 . 2.84 620 557 A 5 VAL HA A 87 LEU HDy% 1.0 . 3.12 621 558 A 5 VAL HA A 86 THR HA 1.0 . 3.59 622 559 A 42 GLN H A 39 MET HA 1.0 . 3.42 623 560 A 37 TYR HD% A 34 LEU HA 1.0 . 4.28 624 561 A 46 GLN HE22 A 46 GLN HA 1.0 . 3.70 625 562 A 46 GLN HA A 49 GLN HE21 1.0 . 3.29 626 563 A 46 GLN HBy A 46 GLN HA 1.0 . 2.65 627 564 A 80 LEU HA A 82 LYS H 1.0 . 4.23 628 565 A 80 LEU HA A 84 LEU HBx 1.0 . 3.66 629 566 A 80 LEU HA A 83 ASN H 1.0 . 3.79 630 567 A 80 LEU HA A 83 ASN HBx 1.0 . 3.99 631 568 A 37 TYR HBx A 34 LEU HA 1.0 . 3.63 632 569 A 14 ILE HG2% A 34 LEU HA 1.0 . 3.99 633 570 A 37 TYR H A 34 LEU HA 1.0 . 3.83 634 571 A 37 TYR HBy A 34 LEU HA 1.0 . 3.25 635 572 A 34 LEU HA A 34 LEU HDy% 1.0 . 2.91 636 573 A 59 LEU HA A 59 LEU HBy 1.0 . 2.96 637 574 A 15 LEU HA A 33 TYR HBy 1.0 . 4.20 638 575 A 17 ALA H A 15 LEU HA 1.0 . 4.62 639 576 A 15 LEU HA A 15 LEU HDy% 1.0 . 4.22 640 577 A 7 PRO HGx A 12 LEU HA 1.0 . 4.00 641 578 A 12 LEU HA A 7 PRO HB2 1.0 . 3.12 642 578 A 12 LEU HA A 7 PRO HB3 1.0 . 3.12 643 579 A 15 LEU H A 12 LEU HA 1.0 . 3.87 644 580 A 31 MET HA A 34 LEU HDx% 1.0 . 4.00 645 581 A 78 ASP HA A 78 ASP HBx 1.0 . 2.84 646 582 A 8 LYS HA A 8 LYS HG2 1.0 . 3.07 647 582 A 8 LYS HA A 8 LYS HG3 1.0 . 3.07 648 583 A 62 LEU HA A 62 LEU HBy 1.0 . 2.91 649 584 A 14 ILE HG2% A 15 LEU HA 1.0 . 4.47 650 585 A 79 MET HBy A 76 LEU HA 1.0 . 3.91 651 586 A 15 LEU HBx A 15 LEU HA 1.0 . 2.90 652 587 A 14 ILE H A 12 LEU HA 1.0 . 4.44 653 588 A 16 HIS H A 12 LEU HA 1.0 . 4.10 654 589 A 68 PHE H A 67 SER HA 1.0 . 3.01 655 590 A 54 CYS H A 67 SER HA 1.0 . 3.39 656 591 A 53 TYR HA A 67 SER HA 1.0 . 3.16 657 592 A 67 SER HA A 51 MET HE% 1.0 . 4.88 658 593 A 26 THR H A 25 PHE HA 1.0 . 2.89 659 594 A 25 PHE HD% A 25 PHE HA 1.0 . 3.42 660 595 A 29 GLU HBy A 25 PHE HA 1.0 . 3.86 661 596 A 30 VAL HGx% A 25 PHE HA 1.0 . 4.55 662 597 A 69 SER H A 68 PHE HA 1.0 . 3.12 663 598 A 68 PHE HBy A 68 PHE HA 1.0 . 3.00 664 599 A 31 MET HA A 34 LEU HG 1.0 . 4.14 665 600 A 34 LEU H A 31 MET HA 1.0 . 3.85 666 601 A 31 MET HA B 123 TRP HZ2 1.0 . 3.80 667 602 A 47 GLN HA A 47 GLN HBy 1.0 . 2.97 668 603 A 47 GLN HA A 47 GLN HG2 1.0 . 3.25 669 603 A 47 GLN HG3 A 47 GLN HA 1.0 . 3.25 670 604 A 81 ARG H A 78 ASP HA 1.0 . 3.84 671 605 A 78 ASP HA A 81 ARG HBy 1.0 . 3.54 672 606 A 9 LEU H A 8 LYS HA 1.0 . 3.12 673 607 A 71 LYS HA A 73 PRO HDx 1.0 . 4.17 674 608 A 62 LEU HA A 62 LEU HDx% 1.0 . 3.05 675 608 A 62 LEU HDy% A 62 LEU HA 1.0 . 3.05 676 609 A 78 ASP H A 76 LEU HA 1.0 . 4.81 677 610 A 42 GLN HA A 43 LEU H 1.0 . 3.25 678 611 A 42 GLN HA A 42 GLN H 1.0 . 2.75 679 612 A 42 GLN HA A 39 MET HA 1.0 . 4.09 680 613 A 42 GLN HA A 42 GLN HB2 1.0 . 2.96 681 613 A 42 GLN HA A 42 GLN HB3 1.0 . 2.96 682 614 A 44 TYR HD% A 42 GLN HA 1.0 . 3.93 683 615 A 54 CYS HA A 59 LEU HDy% 1.0 . 3.76 684 616 A 26 THR HG2% A 4 GLN HA 1.0 . 4.75 685 617 A 11 LEU HA A 14 ILE HG2% 1.0 . 4.19 686 618 A 11 LEU HA A 14 ILE HB 1.0 . 3.44 687 619 A 11 LEU HA A 11 LEU HDy% 1.0 . 3.02 688 620 A 11 LEU HA A 14 ILE HD1% 1.0 . 4.32 689 621 A 41 LYS HA A 41 LYS HDy 1.0 . 3.17 690 622 A 63 LEU HDx% A 63 LEU HA 1.0 . 3.39 691 623 A 5 VAL H A 4 GLN HA 1.0 . 3.00 692 624 A 26 THR HA A 4 GLN HA 1.0 . 4.16 693 625 A 50 HIS HA B 122 LEU HDy% 1.0 . 3.54 694 626 A 82 LYS HGx A 83 ASN HA 1.0 . 4.27 695 627 A 49 GLN H A 48 GLU HA 1.0 . 2.80 696 628 A 50 HIS H A 48 GLU HA 1.0 . 4.31 697 629 A 48 GLU HA A 48 GLU HGy 1.0 . 4.20 698 630 A 48 GLU HA A 48 GLU HB2 1.0 . 2.98 699 630 A 48 GLU HB3 A 48 GLU HA 1.0 . 2.98 700 631 A 21 GLN HE22 A 21 GLN HA 1.0 . 4.64 701 632 A 16 HIS HA A 21 GLN HA 1.0 . 3.77 702 633 A 86 THR HB A 87 LEU HA 1.0 . 4.69 703 634 A 87 LEU HA A 87 LEU HB2 1.0 . 2.97 704 634 A 87 LEU HB3 A 87 LEU HA 1.0 . 2.97 705 635 A 20 ALA HB% A 21 GLN HA 1.0 . 4.81 706 636 A 17 ALA HA A 16 HIS HB2 1.0 . 4.43 707 636 A 16 HIS HB3 A 17 ALA HA 1.0 . 4.43 708 637 A 70 VAL H A 69 SER HA 1.0 . 3.01 709 638 A 69 SER HA A 51 MET HA 1.0 . 3.33 710 639 A 69 SER HA A 71 LYS H 1.0 . 4.38 711 640 A 44 TYR HA A 45 ASP HBy 1.0 . 4.58 712 641 A 44 TYR HA A 45 ASP H 1.0 . 2.94 713 642 A 44 TYR HA A 52 VAL HA 1.0 . 3.00 714 643 A 44 TYR HA A 52 VAL HGx% 1.0 . 4.73 715 644 A 25 PHE H A 24 MET HA 1.0 . 2.68 716 645 A 24 MET HA A 24 MET HB2 1.0 . 2.92 717 645 A 24 MET HA A 24 MET HB3 1.0 . 2.92 718 646 A 5 VAL HGx% A 24 MET HA 1.0 . 4.89 719 647 A 46 GLN H A 45 ASP HA 1.0 . 2.63 720 648 A 52 VAL H A 51 MET HA 1.0 . 3.15 721 649 A 24 MET HA A 6 ARG HA 1.0 . 3.25 722 650 A 87 LEU HDy% A 6 ARG HA 1.0 . 4.69 723 651 A 7 PRO HDy A 6 ARG HA 1.0 . 3.08 724 652 A 6 ARG HA A 6 ARG HGy 1.0 . 3.63 725 653 A 5 VAL HGx% A 6 ARG HA 1.0 . 4.67 726 654 A 21 GLN H A 20 ALA HA 1.0 . 2.94 727 655 A 16 HIS HA A 20 ALA HA 1.0 . 4.18 728 656 A 72 ASP HA A 73 PRO HGy 1.0 . 4.38 729 657 A 72 ASP HA A 73 PRO HDy 1.0 . 3.05 730 658 A 72 ASP HA A 73 PRO HDx 1.0 . 3.27 731 659 A 7 PRO HDy A 25 PHE HD% 1.0 . 3.73 732 660 A 7 PRO HDy A 24 MET HA 1.0 . 4.19 733 661 A 7 PRO HDy A 25 PHE H 1.0 . 4.64 734 662 A 7 PRO HDx A 25 PHE HD% 1.0 . 3.75 735 663 A 7 PRO HDx A 24 MET HA 1.0 . 4.28 736 664 A 7 PRO HDx A 6 ARG HA 1.0 . 3.27 737 665 A 7 PRO HDx A 30 VAL HGx% 1.0 . 4.75 738 666 A 74 SER H A 75 PRO HDy 1.0 . 3.89 739 667 A 76 LEU H A 75 PRO HDy 1.0 . 4.02 740 668 A 10 PRO HDy A 9 LEU HB2 1.0 . 2.95 741 668 A 9 LEU HB3 A 10 PRO HDy 1.0 . 2.95 742 669 A 9 LEU H A 10 PRO HDy 1.0 . 4.40 743 670 A 11 LEU H A 10 PRO HDy 1.0 . 4.59 744 671 A 72 ASP H A 73 PRO HDy 1.0 . 4.55 745 672 A 10 PRO HDx A 9 LEU HB2 1.0 . 3.26 746 672 A 10 PRO HDx A 9 LEU HB3 1.0 . 3.26 747 673 A 10 PRO HDx A 11 LEU H 1.0 . 3.77 748 674 A 10 PRO HDx A 8 LYS HBx 1.0 . 2.83 749 675 A 72 ASP H A 73 PRO HDx 1.0 . 4.08 750 676 A 59 LEU H A 60 GLY HAx 1.0 . 4.54 751 676 A 59 LEU H A 60 GLY HAy 1.0 . 4.54 752 677 A 54 CYS HBx A 60 GLY HAx 1.0 . 4.42 753 677 A 60 GLY HAy A 54 CYS HBx 1.0 . 4.42 754 678 A 60 GLY H A 60 GLY HAx 1.0 . 2.86 755 678 A 60 GLY HAy A 60 GLY H 1.0 . 2.86 756 679 A 59 LEU HG A 60 GLY HAx 1.0 . 3.65 757 679 A 59 LEU HG A 60 GLY HAy 1.0 . 3.65 758 680 A 57 ASP HBy A 59 LEU HDy% 1.0 . 4.32 759 681 A 59 LEU H A 57 ASP HBy 1.0 . 3.90 760 682 A 57 ASP HBx A 60 GLY H 1.0 . 4.24 761 683 A 57 ASP HBx A 43 LEU HD1% 1.0 . 4.30 762 683 A 57 ASP HBx A 43 LEU HD2% 1.0 . 4.30 763 684 A 29 GLU HBy A 25 PHE HBy 1.0 . 3.73 764 685 A 26 THR H A 25 PHE HBy 1.0 . 3.57 765 686 A 29 GLU H A 25 PHE HBy 1.0 . 4.46 766 687 A 26 THR H A 25 PHE HBx 1.0 . 4.40 767 688 A 25 PHE H A 25 PHE HBx 1.0 . 3.80 768 689 A 25 PHE HBx A 7 PRO HGy 1.0 . 3.98 769 690 A 29 GLU HBy A 25 PHE HBx 1.0 . 4.51 770 691 B 119 PHE HE% A 35 GLY HAy 1.0 . 4.22 771 692 B 123 TRP HE1 A 35 GLY HAy 1.0 . 4.59 772 693 B 119 PHE HZ A 35 GLY HAy 1.0 . 4.55 773 694 A 22 GLY HAx A 25 PHE HZ 1.0 . 4.68 774 695 A 22 GLY HAx A 21 GLN HA 1.0 . 4.38 775 696 A 22 GLY HAx A 23 GLU HA 1.0 . 4.41 776 697 A 65 ARG HA A 65 ARG HD2 1.0 . 3.12 777 697 A 65 ARG HD3 A 65 ARG HA 1.0 . 3.12 778 698 A 63 LEU HDx% A 65 ARG HD2 1.0 . 5.08 779 698 A 63 LEU HDx% A 65 ARG HD3 1.0 . 5.08 780 699 A 78 ASP HA A 81 ARG HD2 1.0 . 4.39 781 699 A 81 ARG HD3 A 78 ASP HA 1.0 . 4.39 782 700 A 81 ARG HA A 81 ARG HD2 1.0 . 4.56 783 700 A 81 ARG HD3 A 81 ARG HA 1.0 . 4.56 784 701 A 6 ARG HGy A 6 ARG HD2 1.0 . 2.92 785 701 A 6 ARG HD3 A 6 ARG HGy 1.0 . 2.92 786 702 A 87 LEU HDx% A 6 ARG HD2 1.0 . 3.97 787 702 A 6 ARG HD3 A 87 LEU HDx% 1.0 . 3.97 788 703 A 6 ARG HBy A 6 ARG HD2 1.0 . 3.16 789 703 A 6 ARG HD3 A 6 ARG HBy 1.0 . 3.16 790 704 A 63 LEU HDx% A 63 LEU HBy 1.0 . 4.14 791 705 A 63 LEU HBx A 65 ARG HGy 1.0 . 3.71 792 706 A 63 LEU HDx% A 63 LEU HBx 1.0 . 3.61 793 707 A 79 MET HBx A 63 LEU HBx 1.0 . 4.42 794 708 A 63 LEU HBx A 65 ARG HD2 1.0 . 4.44 795 708 A 63 LEU HBx A 65 ARG HD3 1.0 . 4.44 796 709 A 53 TYR HD% A 45 ASP HBy 1.0 . 4.52 797 710 A 45 ASP HBy A 53 TYR HE% 1.0 . 4.35 798 711 A 45 ASP HBy A 48 GLU HB2 1.0 . 3.93 799 711 A 48 GLU HB3 A 45 ASP HBy 1.0 . 3.93 800 712 A 45 ASP HBx A 44 TYR HBx 1.0 . 5.46 801 713 A 31 MET HA A 34 LEU HBx 1.0 . 4.32 802 714 A 81 ARG H A 82 LYS HEy 1.0 . 4.51 803 715 A 82 LYS HGx A 82 LYS HEx 1.0 . 3.72 804 716 A 41 LYS H A 41 LYS HE2 1.0 . 4.39 805 716 A 41 LYS H A 41 LYS HE3 1.0 . 4.39 806 717 A 41 LYS HA A 41 LYS HE2 1.0 . 4.18 807 717 A 41 LYS HA A 41 LYS HE3 1.0 . 4.18 808 718 A 83 ASN HBy A 82 LYS HD2 1.0 . 4.06 809 718 A 82 LYS HD3 A 83 ASN HBy 1.0 . 4.06 810 719 A 83 ASN HBy A 62 LEU HDx% 1.0 . 3.75 811 719 A 62 LEU HDy% A 83 ASN HBy 1.0 . 3.75 812 720 A 83 ASN H A 83 ASN HBy 1.0 . 3.55 813 721 A 45 ASP HBx A 53 TYR HE% 1.0 . 3.70 814 722 A 83 ASN HBx A 83 ASN HD22 1.0 . 4.05 815 723 A 83 ASN H A 83 ASN HBx 1.0 . 3.20 816 724 A 83 ASN HBx A 79 MET HG2 1.0 . 4.04 817 724 A 83 ASN HBx A 79 MET HG3 1.0 . 4.04 818 725 A 83 ASN HBx A 82 LYS HD2 1.0 . 4.15 819 725 A 83 ASN HBx A 82 LYS HD3 1.0 . 4.15 820 726 A 34 LEU H A 34 LEU HBy 1.0 . 3.29 821 727 B 123 TRP HZ2 A 34 LEU HBy 1.0 . 3.69 822 728 A 34 LEU HBy A 34 LEU HDx% 1.0 . 3.92 823 729 A 31 MET HA A 34 LEU HBy 1.0 . 3.97 824 730 A 59 LEU H A 59 LEU HBy 1.0 . 3.71 825 731 A 34 LEU HBx A 35 GLY HAy 1.0 . 4.14 826 732 A 34 LEU HBx A 34 LEU HDy% 1.0 . 3.55 827 733 A 34 LEU H A 34 LEU HBx 1.0 . 3.57 828 734 B 123 TRP HZ2 A 34 LEU HBx 1.0 . 3.52 829 735 A 38 ILE HG2% A 43 LEU HBy 1.0 . 4.50 830 736 A 38 ILE HA A 43 LEU HBy 1.0 . 3.39 831 737 A 63 LEU H A 62 LEU HBy 1.0 . 3.85 832 738 A 58 LEU HBy A 58 LEU HD1% 1.0 . 3.35 833 738 A 58 LEU HD2% A 58 LEU HBy 1.0 . 3.35 834 739 A 62 LEU HBy A 62 LEU HDx% 1.0 . 3.21 835 739 A 62 LEU HDy% A 62 LEU HBy 1.0 . 3.21 836 740 A 14 ILE HD1% A 58 LEU HBy 1.0 . 4.11 837 741 A 62 LEU H A 62 LEU HBy 1.0 . 3.43 838 742 A 62 LEU HBx A 63 LEU H 1.0 . 3.77 839 743 A 62 LEU HBx A 62 LEU HDx% 1.0 . 3.63 840 743 A 62 LEU HBx A 62 LEU HDy% 1.0 . 3.63 841 744 A 14 ILE HD1% A 58 LEU HBx 1.0 . 3.94 842 745 A 59 LEU H A 58 LEU HBx 1.0 . 3.44 843 746 A 58 LEU HBx A 58 LEU HD1% 1.0 . 3.55 844 746 A 58 LEU HD2% A 58 LEU HBx 1.0 . 3.55 845 747 A 26 THR HB A 28 LYS HEy 1.0 . 4.35 846 748 A 28 LYS HBy A 28 LYS HEy 1.0 . 4.40 847 749 A 28 LYS HEy A 27 VAL HGx% 1.0 . 4.94 848 750 A 29 GLU H A 28 LYS HEy 1.0 . 4.44 849 751 A 82 LYS HEy A 81 ARG HD2 1.0 . 3.60 850 751 A 81 ARG HD3 A 82 LYS HEy 1.0 . 3.60 851 752 A 13 LYS HD3 A 13 LYS HE2 1.0 . 2.86 852 752 A 13 LYS HD2 A 13 LYS HE2 1.0 . 2.86 853 752 A 13 LYS HE3 A 13 LYS HD2 1.0 . 2.86 854 752 A 13 LYS HE3 A 13 LYS HD3 1.0 . 2.86 855 753 A 41 LYS HBy A 41 LYS HE2 1.0 . 4.02 856 753 A 41 LYS HBy A 41 LYS HE3 1.0 . 4.02 857 754 A 41 LYS HE2 A 41 LYS HG2 1.0 . 3.99 858 754 A 41 LYS HE3 A 41 LYS HG2 1.0 . 3.99 859 754 A 41 LYS HG3 A 41 LYS HE2 1.0 . 3.99 860 754 A 41 LYS HG3 A 41 LYS HE3 1.0 . 3.99 861 755 A 71 LYS HGx A 71 LYS HE2 1.0 . 3.09 862 755 A 71 LYS HGx A 71 LYS HE3 1.0 . 3.09 863 756 A 50 HIS H A 71 LYS HE2 1.0 . 4.56 864 756 A 50 HIS H A 71 LYS HE3 1.0 . 4.56 865 757 A 50 HIS HA A 71 LYS HE2 1.0 . 4.59 866 757 A 50 HIS HA A 71 LYS HE3 1.0 . 4.59 867 758 A 71 LYS HBy A 71 LYS HE2 1.0 . 3.95 868 758 A 71 LYS HBy A 71 LYS HE3 1.0 . 3.95 869 759 A 11 LEU H A 11 LEU HBy 1.0 . 3.64 870 760 A 9 LEU HA A 12 LEU HBy 1.0 . 3.63 871 761 A 43 LEU HBy A 43 LEU HD1% 1.0 . 3.46 872 761 A 43 LEU HD2% A 43 LEU HBy 1.0 . 3.46 873 762 A 43 LEU H A 43 LEU HBy 1.0 . 3.85 874 763 A 59 LEU H A 58 LEU HBy 1.0 . 4.26 875 764 A 77 TYR H A 76 LEU HBy 1.0 . 3.19 876 765 A 43 LEU H A 43 LEU HBx 1.0 . 3.77 877 766 A 12 LEU H A 12 LEU HBx 1.0 . 3.37 878 767 A 72 ASP HBy A 69 SER H 1.0 . 3.92 879 768 A 78 ASP H A 78 ASP HBy 1.0 . 3.24 880 769 A 72 ASP H A 72 ASP HBx 1.0 . 4.00 881 770 A 80 LEU HBy A 80 LEU HDx% 1.0 . 3.76 882 771 A 12 LEU H A 11 LEU HBy 1.0 . 4.12 883 772 A 12 LEU HBy A 13 LYS H 1.0 . 3.92 884 773 A 81 ARG H A 80 LEU HBx 1.0 . 4.33 885 774 A 80 LEU HBx A 80 LEU HDx% 1.0 . 3.79 886 775 A 80 LEU H A 80 LEU HBx 1.0 . 3.95 887 776 A 13 LYS H A 12 LEU HBx 1.0 . 4.20 888 777 A 9 LEU HA A 12 LEU HBx 1.0 . 3.76 889 778 A 76 LEU HBx A 76 LEU H 1.0 . 3.45 890 779 A 69 SER H A 68 PHE HBx 1.0 . 3.92 891 780 A 78 ASP HBy A 78 ASP HA 1.0 . 2.98 892 781 A 78 ASP HBy A 79 MET HA 1.0 . 4.31 893 782 A 78 ASP H A 78 ASP HBx 1.0 . 3.16 894 783 A 79 MET H A 78 ASP HBx 1.0 . 3.63 895 784 A 80 LEU HBy A 81 ARG H 1.0 . 4.28 896 785 A 34 LEU H A 33 TYR HBy 1.0 . 3.79 897 786 A 9 LEU H A 9 LEU HB2 1.0 . 3.63 898 786 A 9 LEU H A 9 LEU HB3 1.0 . 3.63 899 787 A 44 TYR HBy A 52 VAL HGx% 1.0 . 4.90 900 788 A 44 TYR HBy A 38 ILE HG2% 1.0 . 4.97 901 789 A 33 TYR H A 33 TYR HBy 1.0 . 3.87 902 790 A 4 GLN H A 3 ASN HBx 1.0 . 3.84 903 791 A 33 TYR H A 33 TYR HBx 1.0 . 3.34 904 792 A 45 ASP H A 44 TYR HBx 1.0 . 4.02 905 793 A 44 TYR HBx A 52 VAL HGy% 1.0 . 4.34 906 794 A 15 LEU HBx A 33 TYR HD% 1.0 . 4.50 907 795 A 15 LEU HBx A 16 HIS H 1.0 . 4.19 908 796 A 15 LEU HBx A 15 LEU H 1.0 . 3.84 909 797 A 15 LEU HBx A 15 LEU HDx% 1.0 . 4.19 910 798 A 37 TYR HBy A 14 ILE HG2% 1.0 . 4.85 911 799 A 37 TYR HBy A 34 LEU HDy% 1.0 . 4.64 912 800 A 53 TYR H A 53 TYR HBy 1.0 . 3.55 913 801 A 67 SER HBx A 53 TYR HBy 1.0 . 4.73 914 802 A 53 TYR HBy A 52 VAL HGy% 1.0 . 5.01 915 803 A 37 TYR HBx A 14 ILE HG2% 1.0 . 4.30 916 804 A 38 ILE H A 37 TYR HBx 1.0 . 4.52 917 805 A 53 TYR H A 53 TYR HBx 1.0 . 3.39 918 806 A 29 GLU H A 29 GLU HGx 1.0 . 4.17 919 807 A 29 GLU H A 29 GLU HGy 1.0 . 3.91 920 808 A 29 GLU HA A 29 GLU HGy 1.0 . 4.05 921 809 A 29 GLU HA A 29 GLU HGx 1.0 . 3.77 922 810 A 38 ILE HB A 39 MET H 1.0 . 3.80 923 811 A 38 ILE HB B 119 PHE HE% 1.0 . 4.17 924 812 A 38 ILE HB B 119 PHE HZ 1.0 . 4.06 925 813 A 38 ILE HB A 38 ILE HD1% 1.0 . 3.61 926 814 A 38 ILE HB A 52 VAL HGx% 1.0 . 4.82 927 815 A 77 TYR HBy A 78 ASP HA 1.0 . 4.35 928 816 A 23 GLU HA A 23 GLU HGy 1.0 . 3.62 929 817 A 23 GLU HGx A 23 GLU HA 1.0 . 3.59 930 818 A 23 GLU HGx A 12 LEU HDy% 1.0 . 3.93 931 819 A 48 GLU HA A 48 GLU HGx 1.0 . 3.92 932 820 A 61 GLU HGy A 58 LEU HD1% 1.0 . 4.69 933 820 A 58 LEU HD2% A 61 GLU HGy 1.0 . 4.69 934 821 A 61 GLU H A 61 GLU HGy 1.0 . 3.92 935 822 A 62 LEU H A 61 GLU HGx 1.0 . 4.12 936 823 A 61 GLU H A 61 GLU HGx 1.0 . 3.62 937 824 A 61 GLU HA A 61 GLU HGx 1.0 . 3.88 938 825 A 61 GLU HGx A 58 LEU HD1% 1.0 . 4.44 939 825 A 58 LEU HD2% A 61 GLU HGx 1.0 . 4.44 940 826 A 48 GLU H A 48 GLU HGx 1.0 . 4.16 941 827 A 6 ARG H A 5 VAL HB 1.0 . 3.47 942 828 A 25 PHE H A 24 MET HB2 1.0 . 3.71 943 828 A 25 PHE H A 24 MET HB3 1.0 . 3.71 944 829 A 24 MET H A 24 MET HB2 1.0 . 3.54 945 829 A 24 MET H A 24 MET HB3 1.0 . 3.54 946 830 A 47 GLN HE22 A 47 GLN HG2 1.0 . 3.92 947 830 A 47 GLN HG3 A 47 GLN HE22 1.0 . 3.92 948 831 A 4 GLN H A 4 GLN HGy 1.0 . 3.81 949 832 A 26 THR HG2% A 4 GLN HGy 1.0 . 4.43 950 833 A 4 GLN HGy A 4 GLN HA 1.0 . 3.94 951 834 A 4 GLN HA A 4 GLN HGx 1.0 . 3.75 952 835 A 26 THR HG2% A 4 GLN HGx 1.0 . 4.44 953 836 A 46 GLN H A 46 GLN HG2 1.0 . 3.38 954 836 A 46 GLN H A 46 GLN HG3 1.0 . 3.38 955 837 A 47 GLN H A 47 GLN HG2 1.0 . 3.29 956 837 A 47 GLN HG3 A 47 GLN H 1.0 . 3.29 957 838 A 46 GLN HBy A 46 GLN HG2 1.0 . 2.40 958 838 A 46 GLN HBy A 46 GLN HG3 1.0 . 2.40 959 839 A 42 GLN HE22 A 42 GLN HG2 1.0 . 3.76 960 839 A 42 GLN HG3 A 42 GLN HE22 1.0 . 3.76 961 840 A 42 GLN HE21 A 42 GLN HG2 1.0 . 3.11 962 840 A 42 GLN HG3 A 42 GLN HE21 1.0 . 3.11 963 841 A 42 GLN HA A 42 GLN HG2 1.0 . 3.07 964 841 A 42 GLN HA A 42 GLN HG3 1.0 . 3.07 965 842 A 82 LYS H A 82 LYS HBx 1.0 . 3.72 966 843 A 63 LEU HBx A 65 ARG HBx 1.0 . 4.44 967 844 A 49 GLN HGy A 46 GLN HA 1.0 . 4.01 968 845 A 49 GLN HGy A 49 GLN HA 1.0 . 3.74 969 846 A 49 GLN HGx B 119 PHE H 1.0 . 4.58 970 847 A 46 GLN HA A 46 GLN HG2 1.0 . 3.29 971 847 A 46 GLN HG3 A 46 GLN HA 1.0 . 3.29 972 848 A 21 GLN HA A 21 GLN HGy 1.0 . 3.83 973 849 A 22 GLY H A 21 GLN HGy 1.0 . 4.36 974 850 A 63 LEU HDy% A 79 MET HG2 1.0 . 4.29 975 850 A 63 LEU HDy% A 79 MET HG3 1.0 . 4.29 976 851 A 83 ASN HD21 A 79 MET HG2 1.0 . 4.58 977 851 A 83 ASN HD21 A 79 MET HG3 1.0 . 4.58 978 852 A 7 PRO HA A 85 VAL HB 1.0 . 4.20 979 853 A 6 ARG H A 85 VAL HB 1.0 . 4.44 980 854 A 22 GLY H A 21 GLN HGx 1.0 . 5.50 981 855 A 39 MET HA A 39 MET HG2 1.0 . 3.79 982 855 A 39 MET HG3 A 39 MET HA 1.0 . 3.79 983 856 B 119 PHE HD% A 39 MET HG2 1.0 . 4.68 984 856 A 39 MET HG3 B 119 PHE HD% 1.0 . 4.68 985 857 A 37 TYR H A 36 GLN HG2 1.0 . 4.10 986 857 A 37 TYR H A 36 GLN HG3 1.0 . 4.10 987 858 A 9 LEU H A 8 LYS HBy 1.0 . 3.69 988 859 A 10 PRO HDx A 8 LYS HBy 1.0 . 4.01 989 860 A 11 LEU HDx% A 8 LYS HBx 1.0 . 4.74 990 861 A 11 LEU H A 8 LYS HBx 1.0 . 4.27 991 862 A 87 LEU HDy% A 6 ARG HBx 1.0 . 4.38 992 863 A 28 LYS HA A 31 MET HBy 1.0 . 3.94 993 864 A 39 MET H A 39 MET HBy 1.0 . 3.52 994 865 A 39 MET H A 39 MET HBx 1.0 . 4.02 995 866 A 85 VAL H A 85 VAL HB 1.0 . 3.33 996 867 A 40 VAL H A 39 MET HG2 1.0 . 3.62 997 867 A 40 VAL H A 39 MET HG3 1.0 . 3.62 998 868 A 9 LEU H A 8 LYS HBx 1.0 . 3.76 999 869 A 6 ARG HBx A 6 ARG HD2 1.0 . 3.96 1000 869 A 6 ARG HD3 A 6 ARG HBx 1.0 . 3.96 1001 870 A 31 MET HBy A 31 MET HE% 1.0 . 4.28 1002 871 A 31 MET H A 31 MET HBy 1.0 . 3.56 1003 872 A 27 VAL HGy% A 31 MET HBy 1.0 . 3.87 1004 873 B 119 PHE HD% A 39 MET HBy 1.0 . 4.30 1005 874 B 119 PHE HE% A 39 MET HBy 1.0 . 3.96 1006 875 A 31 MET H A 31 MET HBx 1.0 . 3.61 1007 876 A 27 VAL HGy% A 31 MET HBx 1.0 . 4.29 1008 877 A 39 MET HBx B 119 PHE HD% 1.0 . 4.16 1009 878 A 44 TYR HE% A 39 MET HBx 1.0 . 4.55 1010 879 A 72 ASP HBy A 71 LYS HBy 1.0 . 4.87 1011 880 A 71 LYS HBy A 50 HIS HBy 1.0 . 4.00 1012 881 A 13 LYS H A 13 LYS HBy 1.0 . 3.50 1013 882 A 13 LYS H A 13 LYS HBx 1.0 . 3.30 1014 883 A 71 LYS H A 71 LYS HBx 1.0 . 3.81 1015 884 A 52 VAL HB A 68 PHE HZ 1.0 . 4.58 1016 885 A 52 VAL HB A 68 PHE HE% 1.0 . 4.16 1017 886 A 50 HIS H A 50 HIS HBy 1.0 . 3.85 1018 887 A 50 HIS HBy A 70 VAL HGy% 1.0 . 4.34 1019 888 A 50 HIS HBy B 122 LEU HDy% 1.0 . 4.18 1020 889 A 50 HIS HBx A 70 VAL HGy% 1.0 . 4.51 1021 890 A 50 HIS HBx B 122 LEU HDy% 1.0 . 3.94 1022 891 A 24 MET HA A 24 MET HGy 1.0 . 3.80 1023 892 A 23 GLU H A 24 MET HGy 1.0 . 3.97 1024 893 A 30 VAL HGx% A 29 GLU HBx 1.0 . 4.35 1025 894 A 50 HIS HA A 70 VAL HB 1.0 . 4.53 1026 895 A 40 VAL HB A 37 TYR H 1.0 . 4.69 1027 896 A 21 GLN H A 21 GLN HBx 1.0 . 3.76 1028 897 A 20 ALA HA A 21 GLN HBx 1.0 . 5.05 1029 898 A 14 ILE H A 13 LYS HBy 1.0 . 4.44 1030 899 A 12 LEU HDx% A 7 PRO HB2 1.0 . 4.27 1031 899 A 12 LEU HDx% A 7 PRO HB3 1.0 . 4.27 1032 900 A 72 ASP H A 71 LYS HBx 1.0 . 4.49 1033 901 A 75 PRO HBx A 63 LEU HDx% 1.0 . 4.14 1034 902 A 70 VAL H A 50 HIS HBy 1.0 . 4.43 1035 903 A 30 VAL H A 29 GLU HBy 1.0 . 4.39 1036 904 A 31 MET H A 30 VAL HB 1.0 . 3.51 1037 905 A 30 VAL H A 30 VAL HB 1.0 . 3.27 1038 906 A 63 LEU HDx% A 75 PRO HBy 1.0 . 4.08 1039 907 A 11 LEU HDy% A 10 PRO HBy 1.0 . 4.30 1040 908 A 25 PHE HBy A 29 GLU HBx 1.0 . 3.60 1041 909 A 25 PHE HD% A 29 GLU HBx 1.0 . 3.48 1042 910 A 26 THR H A 29 GLU HBx 1.0 . 3.63 1043 911 A 70 VAL H A 70 VAL HB 1.0 . 3.81 1044 912 A 40 VAL HB A 18 ALA HA 1.0 . 3.86 1045 913 A 40 VAL HB A 41 LYS H 1.0 . 3.67 1046 914 A 27 VAL H A 27 VAL HB 1.0 . 3.05 1047 915 A 21 GLN H A 21 GLN HBy 1.0 . 4.03 1048 916 A 45 ASP HBy A 51 MET HBy 1.0 . 4.23 1049 917 A 22 GLY H A 21 GLN HBx 1.0 . 4.16 1050 918 A 32 HIS H A 32 HIS HBy 1.0 . 3.55 1051 919 A 33 TYR H A 32 HIS HBy 1.0 . 3.82 1052 920 A 29 GLU H A 29 GLU HBx 1.0 . 3.78 1053 921 A 80 LEU H A 79 MET HBx 1.0 . 4.09 1054 922 A 79 MET HBx A 63 LEU HDx% 1.0 . 4.09 1055 923 A 28 LYS H A 27 VAL HB 1.0 . 3.61 1056 924 A 26 THR HG2% A 27 VAL HB 1.0 . 5.50 1057 925 A 81 ARG HBy A 81 ARG HD2 1.0 . 3.87 1058 925 A 81 ARG HD3 A 81 ARG HBy 1.0 . 3.87 1059 926 A 11 LEU H A 10 PRO HBx 1.0 . 4.38 1060 927 A 41 LYS H A 41 LYS HBy 1.0 . 3.78 1061 928 A 38 ILE H A 38 ILE HG1x 1.0 . 4.35 1062 929 A 38 ILE HA A 38 ILE HG1x 1.0 . 3.87 1063 930 A 33 TYR H A 32 HIS HBx 1.0 . 3.73 1064 931 A 32 HIS H A 32 HIS HBx 1.0 . 3.38 1065 932 A 32 HIS HBx A 32 HIS HE1 1.0 . 4.67 1066 933 A 29 GLU HA A 32 HIS HBx 1.0 . 3.78 1067 934 B 123 TRP HE1 A 31 MET HG2 1.0 . 4.30 1068 934 B 123 TRP HE1 A 31 MET HG3 1.0 . 4.30 1069 935 A 32 HIS HA A 31 MET HG2 1.0 . 3.31 1070 935 A 31 MET HG3 A 32 HIS HA 1.0 . 3.31 1071 936 A 47 GLN H A 47 GLN HBy 1.0 . 3.10 1072 937 A 47 GLN H A 47 GLN HBx 1.0 . 3.62 1073 938 A 81 ARG H A 81 ARG HBy 1.0 . 3.43 1074 939 A 82 LYS H A 81 ARG HBy 1.0 . 3.82 1075 940 A 82 LYS H A 81 ARG HBx 1.0 . 3.92 1076 941 A 37 TYR HD% A 38 ILE HG1y 1.0 . 4.22 1077 942 A 54 CYS HBy A 60 GLY H 1.0 . 3.72 1078 943 A 59 LEU HG A 54 CYS HBy 1.0 . 4.36 1079 944 A 54 CYS H A 54 CYS HBy 1.0 . 4.06 1080 945 A 54 CYS HBy A 60 GLY HAx 1.0 . 3.63 1081 945 A 60 GLY HAy A 54 CYS HBy 1.0 . 3.63 1082 946 A 55 GLY H A 66 GLN HBy 1.0 . 4.54 1083 947 A 47 GLN H A 46 GLN HBy 1.0 . 4.29 1084 948 A 81 ARG HBx A 78 ASP HA 1.0 . 5.50 1085 949 A 8 LYS H A 8 LYS HD2 1.0 . 4.20 1086 949 A 8 LYS H A 8 LYS HD3 1.0 . 4.20 1087 950 A 8 LYS HBy A 8 LYS HD2 1.0 . 3.09 1088 950 A 8 LYS HBy A 8 LYS HD3 1.0 . 3.09 1089 951 A 83 ASN HA A 82 LYS HD2 1.0 . 3.25 1090 951 A 82 LYS HD3 A 83 ASN HA 1.0 . 3.25 1091 952 A 28 LYS HA A 28 LYS HDy 1.0 . 4.18 1092 953 A 28 LYS H A 28 LYS HDy 1.0 . 4.52 1093 954 A 2 ILE HG2% A 28 LYS HDy 1.0 . 4.40 1094 955 A 28 LYS HA A 28 LYS HDx 1.0 . 4.57 1095 956 A 2 ILE HG2% A 28 LYS HDx 1.0 . 4.46 1096 957 A 36 GLN H A 36 GLN HB2 1.0 . 3.88 1097 957 A 36 GLN H A 36 GLN HB3 1.0 . 3.88 1098 958 A 46 GLN H A 46 GLN HBy 1.0 . 3.51 1099 959 A 46 GLN HBy A 47 GLN HE22 1.0 . 4.24 1100 960 A 46 GLN HE22 A 46 GLN HBx 1.0 . 4.03 1101 961 A 11 LEU HDy% A 10 PRO HG2 1.0 . 4.47 1102 961 A 10 PRO HG3 A 11 LEU HDy% 1.0 . 4.47 1103 962 A 11 LEU H A 10 PRO HG2 1.0 . 4.35 1104 962 A 10 PRO HG3 A 11 LEU H 1.0 . 4.35 1105 963 A 14 ILE HD1% A 13 LYS HD2 1.0 . 4.81 1106 963 A 14 ILE HD1% A 13 LYS HD3 1.0 . 4.81 1107 964 A 13 LYS HA A 13 LYS HD2 1.0 . 4.14 1108 964 A 13 LYS HA A 13 LYS HD3 1.0 . 4.14 1109 965 A 13 LYS HD2 A 58 LEU HD1% 1.0 . 4.32 1110 965 A 13 LYS HD3 A 58 LEU HD1% 1.0 . 4.32 1111 965 A 58 LEU HD2% A 13 LYS HD2 1.0 . 4.32 1112 965 A 58 LEU HD2% A 13 LYS HD3 1.0 . 4.32 1113 966 A 15 LEU H A 14 ILE HG1y 1.0 . 4.54 1114 967 A 71 LYS HA A 71 LYS HDx 1.0 . 4.44 1115 968 A 68 PHE HBy A 75 PRO HGy 1.0 . 4.40 1116 969 A 69 SER H A 75 PRO HGy 1.0 . 4.08 1117 970 A 47 GLN H A 46 GLN HBx 1.0 . 3.92 1118 971 A 76 LEU H A 75 PRO HGx 1.0 . 4.19 1119 972 A 75 PRO HGx A 68 PHE HA 1.0 . 4.58 1120 973 A 68 PHE HBy A 75 PRO HGx 1.0 . 4.44 1121 974 A 25 PHE HD% A 7 PRO HGy 1.0 . 3.78 1122 975 A 81 ARG HA A 81 ARG HGy 1.0 . 3.60 1123 976 A 81 ARG H A 81 ARG HGx 1.0 . 4.00 1124 977 A 81 ARG HA A 81 ARG HGx 1.0 . 3.73 1125 978 A 41 LYS HA A 41 LYS HDx 1.0 . 3.77 1126 979 A 75 PRO HGx A 68 PHE HBx 1.0 . 4.50 1127 980 A 78 ASP HA A 81 ARG HGx 1.0 . 4.60 1128 981 A 24 MET HA A 6 ARG HGx 1.0 . 4.61 1129 982 A 2 ILE HG2% A 2 ILE HG1y 1.0 . 3.80 1130 983 A 11 LEU HDx% A 11 LEU H 1.0 . 4.52 1131 984 A 11 LEU HDx% A 11 LEU HBy 1.0 . 3.47 1132 985 A 49 GLN HBy B 119 PHE H 1.0 . 4.12 1133 986 A 34 LEU H A 34 LEU HG 1.0 . 4.40 1134 987 A 59 LEU H A 59 LEU HG 1.0 . 4.16 1135 988 A 59 LEU HG A 54 CYS HA 1.0 . 4.27 1136 989 A 9 LEU H A 9 LEU HG 1.0 . 4.63 1137 990 A 87 LEU H A 87 LEU HG 1.0 . 4.04 1138 991 A 63 LEU H A 63 LEU HG 1.0 . 3.76 1139 992 A 58 LEU H A 58 LEU HG 1.0 . 4.34 1140 993 A 62 LEU HA A 62 LEU HG 1.0 . 3.99 1141 994 A 6 ARG HA A 6 ARG HGx 1.0 . 4.23 1142 995 A 65 ARG HGx A 65 ARG H 1.0 . 4.29 1143 996 A 2 ILE HG1y A 1 GLN H1 1.0 . 3.68 1144 997 A 65 ARG HGx A 65 ARG HA 1.0 . 3.75 1145 998 A 2 ILE HG2% A 2 ILE HG1x 1.0 . 3.84 1146 999 A 2 ILE H A 2 ILE HG1x 1.0 . 4.52 1147 1000 A 11 LEU HDx% A 11 LEU HBx 1.0 . 3.02 1148 1001 A 68 PHE HD% A 63 LEU HDx% 1.0 . 3.52 1149 1002 A 63 LEU HDx% A 75 PRO HA 1.0 . 4.15 1150 1003 A 49 GLN HBy A 50 HIS HA 1.0 . 4.44 1151 1004 A 49 GLN HBy B 119 PHE HBy 1.0 . 4.30 1152 1005 A 15 LEU H A 15 LEU HG 1.0 . 3.68 1153 1006 A 10 PRO HDx A 9 LEU HG 1.0 . 4.13 1154 1007 A 71 LYS HA A 71 LYS HGy 1.0 . 3.82 1155 1008 A 71 LYS H A 71 LYS HGx 1.0 . 4.69 1156 1009 A 77 TYR H A 76 LEU HG 1.0 . 4.13 1157 1010 A 77 TYR HA A 76 LEU HG 1.0 . 3.99 1158 1011 A 71 LYS HGx A 50 HIS HBy 1.0 . 4.32 1159 1012 A 59 LEU HDx% A 59 LEU HA 1.0 . 4.86 1160 1013 A 59 LEU HDx% A 37 TYR HE% 1.0 . 4.05 1161 1014 A 15 LEU HDy% A 12 LEU HA 1.0 . 3.83 1162 1015 A 42 GLN HE21 A 42 GLN HB2 1.0 . 4.01 1163 1015 A 42 GLN HB3 A 42 GLN HE21 1.0 . 4.01 1164 1016 A 82 LYS HGy A 82 LYS HA 1.0 . 4.12 1165 1017 A 84 LEU H A 84 LEU HDy% 1.0 . 4.04 1166 1018 A 15 LEU H A 15 LEU HDy% 1.0 . 4.05 1167 1019 A 15 LEU HBy A 15 LEU HDy% 1.0 . 3.74 1168 1020 A 30 VAL HGy% A 15 LEU HDy% 1.0 . 3.41 1169 1021 A 82 LYS HGy A 82 LYS HEy 1.0 . 4.00 1170 1022 A 82 LYS HGx A 82 LYS HA 1.0 . 3.68 1171 1023 A 13 LYS H A 13 LYS HGx 1.0 . 3.99 1172 1024 A 13 LYS HA A 13 LYS HGx 1.0 . 3.83 1173 1025 A 23 GLU HA A 12 LEU HDy% 1.0 . 3.73 1174 1026 A 9 LEU HA A 12 LEU HDy% 1.0 . 3.90 1175 1027 A 12 LEU HBy A 12 LEU HDy% 1.0 . 3.27 1176 1028 A 22 GLY H A 12 LEU HDy% 1.0 . 3.73 1177 1029 A 87 LEU HA A 87 LEU HDx% 1.0 . 4.11 1178 1030 A 14 ILE HG2% A 34 LEU HDx% 1.0 . 4.40 1179 1031 A 34 LEU HA A 34 LEU HDx% 1.0 . 3.83 1180 1032 A 34 LEU H A 34 LEU HDx% 1.0 . 4.22 1181 1033 A 80 LEU HA A 80 LEU HDx% 1.0 . 4.05 1182 1034 B 123 TRP HH2 A 76 LEU HDx% 1.0 . 4.17 1183 1035 A 76 LEU HA A 76 LEU HDx% 1.0 . 4.08 1184 1036 A 76 LEU HBy A 76 LEU HDx% 1.0 . 3.47 1185 1037 A 28 LYS HEy A 28 LYS HGy 1.0 . 4.04 1186 1038 A 29 GLU H A 28 LYS HGx 1.0 . 5.50 1187 1039 B 123 TRP HH2 A 34 LEU HDy% 1.0 . 3.61 1188 1040 A 14 ILE HG2% A 34 LEU HDy% 1.0 . 3.65 1189 1041 A 83 ASN HA A 62 LEU HDx% 1.0 . 4.07 1190 1041 A 62 LEU HDy% A 83 ASN HA 1.0 . 4.07 1191 1042 A 68 PHE HD% A 63 LEU HDy% 1.0 . 4.13 1192 1043 A 76 LEU HA A 63 LEU HDy% 1.0 . 3.15 1193 1044 A 79 MET HBy A 63 LEU HDy% 1.0 . 3.46 1194 1045 A 63 LEU HDy% A 63 LEU H 1.0 . 4.05 1195 1046 A 13 LYS H A 12 LEU HDx% 1.0 . 4.37 1196 1047 A 9 LEU HA A 9 LEU HD1% 1.0 . 3.09 1197 1047 A 9 LEU HA A 9 LEU HD2% 1.0 . 3.09 1198 1048 A 9 LEU HB2 A 9 LEU HD1% 1.0 . 3.01 1199 1048 A 9 LEU HB3 A 9 LEU HD1% 1.0 . 3.01 1200 1048 A 9 LEU HD2% A 9 LEU HB2 1.0 . 3.01 1201 1048 A 9 LEU HD2% A 9 LEU HB3 1.0 . 3.01 1202 1049 A 12 LEU HDx% A 25 PHE HE% 1.0 . 3.30 1203 1050 A 12 LEU HDx% A 23 GLU HA 1.0 . 3.16 1204 1051 A 12 LEU HDx% A 12 LEU HA 1.0 . 2.96 1205 1052 A 58 LEU HA A 58 LEU HD1% 1.0 . 3.05 1206 1052 A 58 LEU HD2% A 58 LEU HA 1.0 . 3.05 1207 1053 A 13 LYS HE3 A 58 LEU HD1% 1.0 . 3.94 1208 1053 A 13 LYS HE2 A 58 LEU HD1% 1.0 . 3.94 1209 1053 A 58 LEU HD2% A 13 LYS HE2 1.0 . 3.94 1210 1053 A 58 LEU HD2% A 13 LYS HE3 1.0 . 3.94 1211 1054 A 76 LEU HBx A 76 LEU HDy% 1.0 . 2.40 1212 1055 B 123 TRP HZ2 A 76 LEU HDy% 1.0 . 3.88 1213 1056 B 123 TRP HH2 A 76 LEU HDy% 1.0 . 3.51 1214 1057 A 76 LEU HA A 76 LEU HDy% 1.0 . 3.27 1215 1058 A 26 THR HA A 27 VAL HGx% 1.0 . 4.57 1216 1059 A 27 VAL HGx% A 3 ASN HBx 1.0 . 3.70 1217 1060 A 27 VAL H A 27 VAL HGx% 1.0 . 2.97 1218 1061 A 3 ASN HD22 A 27 VAL HGx% 1.0 . 4.55 1219 1062 A 28 LYS H A 27 VAL HGx% 1.0 . 4.15 1220 1063 A 27 VAL HA A 27 VAL HGx% 1.0 . 3.03 1221 1064 A 12 LEU HDx% A 13 LYS HA 1.0 . 4.39 1222 1065 A 12 LEU HDx% A 15 LEU HDy% 1.0 . 3.97 1223 1066 A 87 LEU HDy% A 87 LEU HA 1.0 . 4.10 1224 1067 A 87 LEU HDy% A 6 ARG HD2 1.0 . 4.09 1225 1067 A 87 LEU HDy% A 6 ARG HD3 1.0 . 4.09 1226 1068 A 85 VAL H A 84 LEU HDx% 1.0 . 3.77 1227 1069 A 84 LEU HA A 84 LEU HDx% 1.0 . 3.45 1228 1070 B 119 PHE HE% A 70 VAL HGx% 1.0 . 3.67 1229 1071 A 69 SER HA A 70 VAL HGx% 1.0 . 4.60 1230 1072 A 70 VAL HA A 70 VAL HGx% 1.0 . 3.47 1231 1073 A 70 VAL H A 70 VAL HGx% 1.0 . 3.28 1232 1074 B 123 TRP HE3 A 70 VAL HGx% 1.0 . 3.68 1233 1075 A 50 HIS HA A 70 VAL HGx% 1.0 . 3.31 1234 1076 A 70 VAL HGx% A 50 HIS HBy 1.0 . 3.86 1235 1077 A 50 HIS HBx A 70 VAL HGx% 1.0 . 4.13 1236 1078 A 70 VAL HGx% B 126 LEU HDy% 1.0 . 4.63 1237 1079 A 70 VAL H A 70 VAL HGy% 1.0 . 3.93 1238 1080 B 123 TRP HE3 A 70 VAL HGy% 1.0 . 3.72 1239 1081 B 123 TRP HZ3 A 70 VAL HGy% 1.0 . 4.14 1240 1082 A 69 SER HA A 70 VAL HGy% 1.0 . 4.68 1241 1083 A 70 VAL HA A 70 VAL HGy% 1.0 . 3.63 1242 1084 A 70 VAL HGy% B 126 LEU HDy% 1.0 . 3.84 1243 1085 A 30 VAL HGx% A 25 PHE HBy 1.0 . 3.47 1244 1086 A 87 LEU HDy% A 86 THR HA 1.0 . 3.17 1245 1087 A 87 LEU HDy% A 6 ARG HBy 1.0 . 3.65 1246 1088 A 54 CYS HBy A 59 LEU HDy% 1.0 . 4.35 1247 1089 A 54 CYS H A 59 LEU HDy% 1.0 . 4.43 1248 1090 A 59 LEU H A 59 LEU HDy% 1.0 . 3.93 1249 1091 A 83 ASN HD22 A 80 LEU HDy% 1.0 . 4.43 1250 1092 A 81 ARG H A 80 LEU HDy% 1.0 . 4.65 1251 1093 A 80 LEU HBy A 80 LEU HDy% 1.0 . 3.39 1252 1094 A 80 LEU HA A 80 LEU HDy% 1.0 . 2.98 1253 1095 A 26 THR HG2% A 4 GLN H 1.0 . 4.30 1254 1096 A 26 THR HG2% A 28 LYS H 1.0 . 4.59 1255 1097 A 26 THR HG2% A 4 GLN HE21 1.0 . 4.24 1256 1098 A 26 THR HG2% A 26 THR HA 1.0 . 3.16 1257 1099 A 26 THR HG2% A 28 LYS HEy 1.0 . 4.55 1258 1100 A 30 VAL H A 30 VAL HGx% 1.0 . 2.97 1259 1101 A 30 VAL HGx% A 25 PHE HBx 1.0 . 3.29 1260 1102 A 30 VAL HGx% A 15 LEU HDy% 1.0 . 3.75 1261 1103 A 5 VAL HA A 5 VAL HGx% 1.0 . 3.22 1262 1104 A 6 ARG H A 5 VAL HGx% 1.0 . 3.69 1263 1105 A 5 VAL HGx% A 25 PHE HA 1.0 . 4.30 1264 1106 A 54 CYS HBx A 59 LEU HDy% 1.0 . 4.26 1265 1107 A 60 GLY H A 59 LEU HDy% 1.0 . 4.41 1266 1108 A 14 ILE HD1% A 11 LEU HDy% 1.0 . 3.56 1267 1109 A 15 LEU HDx% A 33 TYR HD% 1.0 . 4.53 1268 1110 A 15 LEU HDx% A 15 LEU H 1.0 . 3.57 1269 1111 A 15 LEU HDx% A 15 LEU HA 1.0 . 3.03 1270 1112 A 30 VAL HA A 15 LEU HDx% 1.0 . 3.32 1271 1113 A 15 LEU HDx% A 33 TYR HBy 1.0 . 3.42 1272 1114 A 15 LEU HDx% A 33 TYR HBx 1.0 . 3.35 1273 1115 A 15 LEU HDx% A 34 LEU HDx% 1.0 . 3.16 1274 1116 A 15 LEU HDx% A 14 ILE HG2% 1.0 . 4.28 1275 1117 A 38 ILE HG2% A 52 VAL HGy% 1.0 . 3.78 1276 1118 A 53 TYR HA A 52 VAL HGy% 1.0 . 3.60 1277 1119 A 27 VAL H A 26 THR HG2% 1.0 . 3.17 1278 1120 A 86 THR HG2% A 85 VAL HGy% 1.0 . 4.15 1279 1120 A 85 VAL HGx% A 86 THR HG2% 1.0 . 4.15 1280 1121 A 87 LEU H A 86 THR HG2% 1.0 . 3.89 1281 1122 A 86 THR HA A 86 THR HG2% 1.0 . 3.30 1282 1123 A 5 VAL HGy% A 86 THR HG2% 1.0 . 3.77 1283 1124 A 85 VAL H A 86 THR HG2% 1.0 . 4.66 1284 1125 A 40 VAL H A 40 VAL HGx% 1.0 . 2.98 1285 1126 A 40 VAL HGx% A 41 LYS H 1.0 . 3.61 1286 1127 A 40 VAL HGx% A 18 ALA HA 1.0 . 4.05 1287 1128 A 40 VAL HGx% A 41 LYS HE2 1.0 . 4.25 1288 1128 A 40 VAL HGx% A 41 LYS HE3 1.0 . 4.25 1289 1129 A 40 VAL HGx% A 41 LYS HBx 1.0 . 3.17 1290 1130 A 3 ASN H A 27 VAL HGy% 1.0 . 3.75 1291 1131 A 26 THR H A 30 VAL HGx% 1.0 . 4.58 1292 1132 A 30 VAL HGy% A 31 MET H 1.0 . 4.47 1293 1133 A 30 VAL HA A 30 VAL HGy% 1.0 . 2.93 1294 1134 A 11 LEU H A 11 LEU HDy% 1.0 . 3.60 1295 1135 A 43 LEU HBx A 43 LEU HD1% 1.0 . 3.02 1296 1135 A 43 LEU HD2% A 43 LEU HBx 1.0 . 3.02 1297 1136 A 11 LEU HBx A 11 LEU HDy% 1.0 . 3.23 1298 1137 A 68 PHE HZ A 52 VAL HGy% 1.0 . 4.53 1299 1138 A 44 TYR HBy A 52 VAL HGy% 1.0 . 4.53 1300 1139 A 52 VAL H A 52 VAL HGy% 1.0 . 4.12 1301 1140 A 53 TYR H A 52 VAL HGy% 1.0 . 3.33 1302 1141 A 68 PHE HE% A 52 VAL HGy% 1.0 . 3.60 1303 1142 A 44 TYR HA A 52 VAL HGy% 1.0 . 4.25 1304 1143 A 52 VAL HA A 52 VAL HGy% 1.0 . 3.33 1305 1144 A 54 CYS HBx A 52 VAL HGy% 1.0 . 3.90 1306 1145 A 43 LEU HBy A 52 VAL HGy% 1.0 . 3.55 1307 1146 A 38 ILE HD1% A 52 VAL HGy% 1.0 . 3.59 1308 1147 A 85 VAL H A 85 VAL HGy% 1.0 . 4.31 1309 1147 A 85 VAL H A 85 VAL HGx% 1.0 . 4.31 1310 1148 A 43 LEU H A 43 LEU HD1% 1.0 . 3.76 1311 1148 A 43 LEU HD2% A 43 LEU H 1.0 . 3.76 1312 1149 A 54 CYS HA A 43 LEU HD1% 1.0 . 3.71 1313 1149 A 43 LEU HD2% A 54 CYS HA 1.0 . 3.71 1314 1150 A 43 LEU HA A 43 LEU HD1% 1.0 . 2.85 1315 1150 A 43 LEU HD2% A 43 LEU HA 1.0 . 2.85 1316 1151 A 18 ALA HB% A 20 ALA HB% 1.0 . 4.59 1317 1152 A 18 ALA HB% A 37 TYR H 1.0 . 3.41 1318 1153 A 18 ALA H A 18 ALA HB% 1.0 . 2.84 1319 1154 A 18 ALA HB% A 33 TYR HD% 1.0 . 3.70 1320 1155 A 18 ALA HB% A 37 TYR HD% 1.0 . 4.00 1321 1156 A 18 ALA HB% A 37 TYR HA 1.0 . 3.67 1322 1157 A 18 ALA HB% A 37 TYR HBy 1.0 . 3.78 1323 1158 A 18 ALA HB% A 37 TYR HBx 1.0 . 3.06 1324 1159 A 18 ALA HB% A 15 LEU HDx% 1.0 . 4.12 1325 1160 A 6 ARG HD2 A 85 VAL HGy% 1.0 . 3.63 1326 1160 A 6 ARG HD3 A 85 VAL HGy% 1.0 . 3.63 1327 1160 A 85 VAL HGx% A 6 ARG HD2 1.0 . 3.63 1328 1160 A 6 ARG HD3 A 85 VAL HGx% 1.0 . 3.63 1329 1161 A 6 ARG H A 85 VAL HGy% 1.0 . 4.16 1330 1161 A 6 ARG H A 85 VAL HGx% 1.0 . 4.16 1331 1162 A 40 VAL HGy% A 40 VAL HA 1.0 . 3.00 1332 1163 A 40 VAL H A 40 VAL HGy% 1.0 . 3.46 1333 1164 A 40 VAL HGy% A 41 LYS H 1.0 . 4.13 1334 1165 A 27 VAL H A 5 VAL HGy% 1.0 . 4.76 1335 1166 A 38 ILE HG2% A 39 MET HA 1.0 . 4.84 1336 1167 A 88 ALA HB% A 88 ALA H 1.0 . 3.86 1337 1168 A 20 ALA H A 20 ALA HB% 1.0 . 3.00 1338 1169 A 20 ALA HB% A 25 PHE HE% 1.0 . 3.26 1339 1170 A 20 ALA HB% A 25 PHE HZ 1.0 . 3.58 1340 1171 A 16 HIS HA A 20 ALA HB% 1.0 . 3.49 1341 1172 A 15 LEU HBy A 20 ALA HB% 1.0 . 3.71 1342 1173 A 16 HIS H A 20 ALA HB% 1.0 . 4.52 1343 1174 A 21 GLN H A 20 ALA HB% 1.0 . 3.47 1344 1175 A 16 HIS HD2 A 20 ALA HB% 1.0 . 3.64 1345 1176 A 38 ILE HG2% B 119 PHE HE% 1.0 . 4.04 1346 1177 A 44 TYR HD% A 38 ILE HG2% 1.0 . 3.18 1347 1178 A 38 ILE HG2% A 38 ILE HA 1.0 . 3.28 1348 1179 A 38 ILE HG2% A 43 LEU HBx 1.0 . 3.52 1349 1180 A 38 ILE HG2% A 38 ILE HD1% 1.0 . 3.15 1350 1181 A 38 ILE HG2% A 52 VAL HGx% 1.0 . 3.54 1351 1182 A 38 ILE HG2% A 43 LEU H 1.0 . 3.95 1352 1183 A 38 ILE HG2% A 38 ILE H 1.0 . 4.46 1353 1184 A 52 VAL HA A 38 ILE HG2% 1.0 . 4.77 1354 1185 A 18 ALA H A 17 ALA HB% 1.0 . 3.52 1355 1186 A 17 ALA HB% A 37 TYR HE% 1.0 . 3.11 1356 1187 A 14 ILE HA A 17 ALA HB% 1.0 . 3.38 1357 1188 A 17 ALA H A 17 ALA HB% 1.0 . 2.87 1358 1189 A 14 ILE HG2% A 17 ALA HB% 1.0 . 4.75 1359 1190 A 2 ILE HG2% A 27 VAL HGx% 1.0 . 3.51 1360 1191 A 24 MET HGy A 24 MET HE% 1.0 . 3.51 1361 1192 A 23 GLU HA A 24 MET HE% 1.0 . 4.06 1362 1193 A 24 MET HE% A 24 MET HB2 1.0 . 4.16 1363 1193 A 24 MET HB3 A 24 MET HE% 1.0 . 4.16 1364 1194 A 24 MET HE% A 24 MET HGx 1.0 . 2.79 1365 1195 A 23 GLU HBx A 24 MET HE% 1.0 . 2.82 1366 1196 A 80 LEU H A 79 MET HE% 1.0 . 3.62 1367 1197 A 79 MET H A 79 MET HE% 1.0 . 4.14 1368 1198 A 39 MET HA A 39 MET HE% 1.0 . 4.30 1369 1199 A 79 MET HBy A 79 MET HE% 1.0 . 2.85 1370 1200 A 79 MET HE% A 80 LEU HDy% 1.0 . 2.41 1371 1201 A 76 LEU HA A 79 MET HE% 1.0 . 3.64 1372 1202 A 63 LEU HDy% A 79 MET HE% 1.0 . 3.23 1373 1203 A 31 MET H A 31 MET HE% 1.0 . 4.72 1374 1204 B 123 TRP HE1 A 31 MET HE% 1.0 . 4.66 1375 1205 B 123 TRP HZ2 A 31 MET HE% 1.0 . 3.48 1376 1206 A 31 MET HE% B 123 TRP HH2 1.0 . 4.20 1377 1207 A 31 MET HA A 31 MET HE% 1.0 . 4.26 1378 1208 A 31 MET HE% A 31 MET HG2 1.0 . 2.99 1379 1208 A 31 MET HG3 A 31 MET HE% 1.0 . 2.99 1380 1209 A 31 MET HE% B 126 LEU HDx% 1.0 . 3.46 1381 1210 A 31 MET HE% B 126 LEU HDy% 1.0 . 3.11 1382 1211 A 15 LEU H A 14 ILE HG2% 1.0 . 3.90 1383 1212 A 52 VAL HA A 38 ILE HD1% 1.0 . 4.47 1384 1213 A 38 ILE HD1% B 119 PHE HE% 1.0 . 3.71 1385 1214 A 38 ILE HD1% B 119 PHE HZ 1.0 . 4.22 1386 1215 A 14 ILE HA A 14 ILE HG2% 1.0 . 3.41 1387 1216 A 14 ILE HG1y A 14 ILE HG2% 1.0 . 4.11 1388 1217 A 14 ILE HG1x A 14 ILE HG2% 1.0 . 3.21 1389 1218 A 69 SER H A 51 MET HE% 1.0 . 4.35 1390 1219 A 68 PHE H A 51 MET HE% 1.0 . 3.72 1391 1220 A 52 VAL H A 51 MET HE% 1.0 . 3.63 1392 1221 A 53 TYR HD% A 51 MET HE% 1.0 . 4.83 1393 1222 A 51 MET HE% A 53 TYR HE% 1.0 . 3.88 1394 1223 A 69 SER HA A 51 MET HE% 1.0 . 4.43 1395 1224 A 51 MET HE% A 51 MET HA 1.0 . 3.16 1396 1225 A 67 SER HBx A 51 MET HE% 1.0 . 3.34 1397 1226 A 51 MET HBx A 51 MET HE% 1.0 . 2.70 1398 1227 A 51 MET HE% A 51 MET HG2 1.0 . 3.18 1399 1227 A 51 MET HG3 A 51 MET HE% 1.0 . 3.18 1400 1228 A 52 VAL HB A 51 MET HE% 1.0 . 4.64 1401 1229 A 51 MET H A 51 MET HE% 1.0 . 4.37 1402 1230 A 38 ILE HA A 38 ILE HD1% 1.0 . 4.13 1403 1231 A 3 ASN H A 2 ILE HD1% 1.0 . 4.71 1404 1232 A 2 ILE HB A 2 ILE HD1% 1.0 . 3.88 1405 1233 A 27 VAL HGx% A 2 ILE HD1% 1.0 . 3.06 1406 1234 A 2 ILE HA A 2 ILE HD1% 1.0 . 4.17 1407 1235 B 119 PHE H B 120 SER H 1.0 . 3.05 1408 1236 B 120 SER H B 121 ASP H 1.0 . 3.06 1409 1237 B 121 ASP H B 122 LEU H 1.0 . 3.06 1410 1238 B 122 LEU H B 123 TRP H 1.0 . 3.01 1411 1239 B 123 TRP H B 124 LYS H 1.0 . 3.45 1412 1240 B 124 LYS H B 125 LEU H 1.0 . 2.92 1413 1241 B 125 LEU H B 126 LEU H 1.0 . 2.98 1414 1242 B 128 GLU H B 129 ASN H 1.0 . 3.89 1415 1243 B 119 PHE H B 118 THR HA 1.0 . 3.56 1416 1244 B 120 SER H B 118 THR HA 1.0 . 4.56 1417 1245 B 121 ASP H B 118 THR HA 1.0 . 4.26 1418 1246 B 121 ASP H B 120 SER HA 1.0 . 3.76 1419 1247 B 122 LEU H B 120 SER HA 1.0 . 4.96 1420 1248 B 123 TRP H B 120 SER HA 1.0 . 4.76 1421 1249 B 124 LYS H B 120 SER HA 1.0 . 4.56 1422 1250 B 122 LEU H B 119 PHE HA 1.0 . 5.05 1423 1251 B 123 TRP H B 119 PHE HA 1.0 . 4.05 1424 1252 B 122 LEU H B 121 ASP HA 1.0 . 3.66 1425 1253 B 124 LYS H B 121 ASP HA 1.0 . 4.66 1426 1254 B 123 TRP H B 122 LEU HA 1.0 . 3.51 1427 1255 B 124 LYS H B 122 LEU HA 1.0 . 4.51 1428 1256 B 124 LYS H B 123 TRP HA 1.0 . 3.45 1429 1257 B 125 LEU H B 124 LYS HA 1.0 . 3.92 1430 1258 B 128 GLU H B 127 PRO HA 1.0 . 3.42 1431 1259 B 126 LEU H B 125 LEU HA 1.0 . 3.98 1432 1260 B 119 PHE H B 119 PHE HBy 1.0 . 3.93 1433 1261 B 119 PHE H B 119 PHE HBx 1.0 . 3.93 1434 1262 B 122 LEU H B 122 LEU HDx% 1.0 . 4.07 1435 1263 B 122 LEU H B 121 ASP HBy 1.0 . 3.79 1436 1264 B 122 LEU H B 121 ASP HBx 1.0 . 4.79 1437 1265 B 118 THR H B 121 ASP HBy 1.0 . 4.79 1438 1266 B 118 THR H B 121 ASP HBx 1.0 . 3.79 1439 1267 B 121 ASP H B 120 SER HBy 1.0 . 3.84 1440 1268 B 121 ASP H B 121 ASP HBx 1.0 . 3.73 1441 1269 B 122 LEU HBy B 122 LEU HDx% 1.0 . 3.28 1442 1270 B 119 PHE HD% B 123 TRP HA 1.0 . 3.43 1443 1271 B 121 ASP H B 120 SER HBx 1.0 . 3.84 1444 1272 B 126 LEU H B 124 LYS HA 1.0 . 4.23 1445 1273 B 125 LEU H B 124 LYS HBy 1.0 . 3.83 1446 1274 B 126 LEU H B 125 LEU HBx 1.0 . 3.83 1447 1275 B 126 LEU H B 125 LEU HBy 1.0 . 3.83 1448 1276 B 125 LEU H B 124 LYS HBx 1.0 . 3.83 1449 1277 B 124 LYS HA B 123 TRP HD1 1.0 . 4.10 1450 1278 B 123 TRP HA B 126 LEU HDx% 1.0 . 4.48 1451 1279 B 128 GLU H B 127 PRO HA 1.0 . 3.89 1452 1280 B 129 ASN H B 127 PRO HA 1.0 . 4.89 1453 1281 B 118 THR H B 117 GLU HA 1.0 . 3.72 1454 1282 B 118 THR H B 117 GLU HB2 1.0 . 3.17 1455 1282 B 118 THR H B 117 GLU HB3 1.0 . 3.17 1456 1283 B 118 THR HG2% B 118 THR HA 1.0 . 3.72 1457 1284 B 118 THR HG2% B 119 PHE H 1.0 . 4.03 1458 1285 B 118 THR HG2% B 118 THR H 1.0 . 3.64 1459 1286 B 116 GLN HA B 116 GLN HE22 1.0 . 3.13 1460 1286 B 116 GLN HA B 116 GLN HE21 1.0 . 3.13 1461 1287 B 116 GLN HBx B 116 GLN HE22 1.0 . 3.02 1462 1287 B 116 GLN HBy B 116 GLN HE22 1.0 . 3.02 1463 1287 B 116 GLN HE21 B 116 GLN HBy 1.0 . 3.02 1464 1287 B 116 GLN HE21 B 116 GLN HBx 1.0 . 3.02 1465 1288 B 116 GLN HE22 B 116 GLN HG2 1.0 . 3.36 1466 1288 B 116 GLN HE21 B 116 GLN HG2 1.0 . 3.36 1467 1288 B 116 GLN HG3 B 116 GLN HE22 1.0 . 3.36 1468 1288 B 116 GLN HE21 B 116 GLN HG3 1.0 . 3.36 1469 1289 B 119 PHE H B 119 PHE HBy 1.0 . 3.27 1470 1289 B 119 PHE H B 119 PHE HBx 1.0 . 3.27 1471 1290 B 119 PHE HA B 122 LEU HBx 1.0 . 4.34 1472 1290 B 119 PHE HA B 122 LEU HBy 1.0 . 4.34 1473 1291 B 120 SER HA B 123 TRP HBy 1.0 . 4.84 1474 1292 B 120 SER HA B 123 TRP HBx 1.0 . 4.57 1475 1293 B 121 ASP HA B 124 LYS HBy 1.0 . 4.80 1476 1293 B 121 ASP HA B 124 LYS HBx 1.0 . 4.80 1477 1294 B 120 SER H B 119 PHE HBy 1.0 . 3.81 1478 1294 B 120 SER H B 119 PHE HBx 1.0 . 3.81 1479 1295 B 121 ASP H B 120 SER HBy 1.0 . 3.08 1480 1295 B 121 ASP H B 120 SER HBx 1.0 . 3.08 1481 1296 B 121 ASP H B 121 ASP HBx 1.0 . 3.21 1482 1296 B 121 ASP H B 121 ASP HBy 1.0 . 3.21 1483 1297 B 122 LEU H B 121 ASP HBx 1.0 . 3.33 1484 1297 B 122 LEU H B 121 ASP HBy 1.0 . 3.33 1485 1298 B 122 LEU H B 122 LEU HBx 1.0 . 3.97 1486 1298 B 122 LEU H B 122 LEU HBy 1.0 . 3.97 1487 1299 B 122 LEU H B 122 LEU HDy% 1.0 . 3.52 1488 1299 B 122 LEU H B 122 LEU HDx% 1.0 . 3.52 1489 1300 B 123 TRP H B 122 LEU HDy% 1.0 . 4.47 1490 1300 B 123 TRP H B 122 LEU HDx% 1.0 . 4.47 1491 1301 B 123 TRP HA B 126 LEU HBy 1.0 . 4.26 1492 1301 B 123 TRP HA B 126 LEU HBx 1.0 . 4.26 1493 1302 B 123 TRP HA B 126 LEU HDy% 1.0 . 4.03 1494 1302 B 123 TRP HA B 126 LEU HDx% 1.0 . 4.03 1495 1303 B 123 TRP HE3 B 126 LEU HDy% 1.0 . 3.83 1496 1303 B 123 TRP HE3 B 126 LEU HDx% 1.0 . 3.83 1497 1304 B 123 TRP HZ3 B 126 LEU HDy% 1.0 . 4.23 1498 1304 B 123 TRP HZ3 B 126 LEU HDx% 1.0 . 4.23 1499 1305 B 124 LYS H B 124 LYS HBy 1.0 . 3.97 1500 1305 B 124 LYS H B 124 LYS HBx 1.0 . 3.97 1501 1306 B 128 GLU H B 128 GLU HGy 1.0 . 3.32 1502 1306 B 128 GLU H B 128 GLU HGx 1.0 . 3.32 1503 1307 B 128 GLU HA B 128 GLU HGy 1.0 . 3.50 1504 1307 B 128 GLU HGx B 128 GLU HA 1.0 . 3.50 1505 1308 B 129 ASN H B 128 GLU HA 1.0 . 3.50 1506 1309 B 129 ASN H B 128 GLU HBx 1.0 . 3.50 1507 1310 B 129 ASN H B 129 ASN HBy 1.0 . 3.29 1508 1310 B 129 ASN H B 129 ASN HBx 1.0 . 3.29 1509 1311 B 129 ASN HA B 129 ASN HD22 1.0 . 4.18 1510 1311 B 129 ASN HA B 129 ASN HD21 1.0 . 4.18 1511 1312 B 119 PHE HZ B 123 TRP HH2 1.0 . 4.28 1512 1313 B 119 PHE HZ B 123 TRP HE3 1.0 . 4.05 1513 1314 B 123 TRP H B 122 LEU HBx 1.0 . 4.27 1514 1315 B 122 LEU H B 119 PHE HA 1.0 . 4.17 1515 1316 B 123 TRP H B 122 LEU HBy 1.0 . 3.97 1516 1317 B 123 TRP HA B 126 LEU HDy% 1.0 . 3.48 1517 1318 B 120 SER H B 119 PHE HA 1.0 . 3.84 1518 1319 B 124 LYS H B 123 TRP HBx 1.0 . 3.54 1519 1320 B 124 LYS H B 123 TRP HBy 1.0 . 3.54 1520 1321 B 118 THR HG2% B 119 PHE HA 1.0 . 3.85 1521 1322 A 38 ILE HD1% B 123 TRP HE3 1.0 . 4.74 1522 1323 A 38 ILE HD1% B 119 PHE HZ 1.0 . 3.93 1523 1324 B 123 TRP HZ3 A 38 ILE HD1% 1.0 . 3.93 1524 1325 B 123 TRP HH2 A 35 GLY HAy 1.0 . 5.02 1525 1326 B 123 TRP HH2 A 35 GLY HAx 1.0 . 5.02 1526 1327 B 123 TRP HE1 A 35 GLY HAx 1.0 . 5.24 1527 1328 A 38 ILE HG2% B 119 PHE HZ 1.0 . 4.10 1528 1329 A 38 ILE HG2% B 119 PHE HE% 1.0 . 3.96 1529 1330 B 123 TRP HH2 A 34 LEU HDx% 1.0 . 4.71 1530 1331 B 123 TRP HZ2 A 34 LEU HDx% 1.0 . 4.69 1531 1332 B 119 PHE HE% A 70 VAL HGy% 1.0 . 4.25 1532 1333 B 123 TRP HZ3 A 70 VAL HGy% 1.0 . 3.81 1533 1334 A 31 MET HE% B 128 GLU HA 1.0 . 4.19 1534 1335 B 123 TRP HZ3 A 31 MET HE% 1.0 . 3.99 1535 1336 B 123 TRP HZ2 A 76 LEU HDy% 1.0 . 4.68 1536 1337 B 123 TRP HZ3 A 76 LEU HDy% 1.0 . 4.12 1537 1338 B 123 TRP HH2 A 76 LEU HDx% 1.0 . 4.08 1538 1339 B 123 TRP HZ2 A 76 LEU HDx% 1.0 . 4.68 1539 1340 B 123 TRP HZ3 A 76 LEU HDx% 1.0 . 4.12 1540 1341 B 119 PHE HE% A 70 VAL HGx% 1.0 . 4.25 1541 1342 B 123 TRP HZ3 A 70 VAL HGx% 1.0 . 3.81 1542 1343 A 34 LEU HG B 123 TRP HZ2 1.0 . 4.74 1543 1344 B 123 TRP HZ2 A 31 MET HG2 1.0 . 5.04 1544 1344 A 31 MET HG3 B 123 TRP HZ2 1.0 . 5.04 1545 1345 A 70 VAL HB B 126 LEU HDx% 1.0 . 4.78 1546 1346 A 70 VAL HB B 126 LEU HDy% 1.0 . 4.78 1547 1347 B 123 TRP HZ2 A 34 LEU HDy% 1.0 . 4.69 1548 1348 A 31 MET HE% B 126 LEU HDy% 1.0 . 3.01 1549 1348 A 31 MET HE% B 126 LEU HDx% 1.0 . 3.01 1550 1349 B 123 TRP HH2 A 34 LEU HBx 1.0 . 4.69 1551 1349 B 123 TRP HH2 A 34 LEU HBy 1.0 . 4.69 1552 1350 B 123 TRP HZ2 A 34 LEU HDy% 1.0 . 3.92 1553 1350 B 123 TRP HZ2 A 34 LEU HDx% 1.0 . 3.92 1554 1351 B 123 TRP HH2 A 34 LEU HDy% 1.0 . 3.86 1555 1351 B 123 TRP HH2 A 34 LEU HDx% 1.0 . 3.86 1556 1352 B 123 TRP HH2 A 35 GLY HAy 1.0 . 4.21 1557 1352 B 123 TRP HH2 A 35 GLY HAx 1.0 . 4.21 1558 1353 B 123 TRP HH2 A 38 ILE HG1x 1.0 . 4.87 1559 1353 B 123 TRP HH2 A 38 ILE HG1y 1.0 . 4.87 1560 1354 A 50 HIS HBy B 122 LEU HDy% 1.0 . 3.17 1561 1354 A 50 HIS HBx B 122 LEU HDy% 1.0 . 3.17 1562 1354 B 122 LEU HDx% A 50 HIS HBy 1.0 . 3.17 1563 1354 B 122 LEU HDx% A 50 HIS HBx 1.0 . 3.17 1564 1355 B 119 PHE HE% A 52 VAL HGy% 1.0 . 3.62 1565 1355 B 119 PHE HE% A 52 VAL HGx% 1.0 . 3.62 1566 1356 A 70 VAL HB B 126 LEU HDy% 1.0 . 3.94 1567 1356 A 70 VAL HB B 126 LEU HDx% 1.0 . 3.94 1568 1357 B 119 PHE HE% A 70 VAL HGy% 1.0 . 3.66 1569 1357 B 119 PHE HE% A 70 VAL HGx% 1.0 . 3.66 1570 1358 B 123 TRP HA A 70 VAL HGy% 1.0 . 3.88 1571 1358 B 123 TRP HA A 70 VAL HGx% 1.0 . 3.88 1572 1359 A 70 VAL HGx% B 126 LEU HDy% 1.0 . 3.50 1573 1359 B 126 LEU HDx% A 70 VAL HGy% 1.0 . 3.50 1574 1359 B 126 LEU HDx% A 70 VAL HGx% 1.0 . 3.50 1575 1359 A 70 VAL HGy% B 126 LEU HDy% 1.0 . 3.50 1576 1360 A 71 LYS HE3 B 122 LEU HDy% 1.0 . 4.67 1577 1360 A 71 LYS HE2 B 122 LEU HDy% 1.0 . 4.67 1578 1360 B 122 LEU HDx% A 71 LYS HE2 1.0 . 4.67 1579 1360 A 71 LYS HE3 B 122 LEU HDx% 1.0 . 4.67 1580 1361 A 73 PRO HGy B 126 LEU HDy% 1.0 . 4.09 1581 1361 B 126 LEU HDx% A 73 PRO HGy 1.0 . 4.09 1582 1361 B 126 LEU HDx% A 73 PRO HGx 1.0 . 4.09 1583 1361 A 73 PRO HGx B 126 LEU HDy% 1.0 . 4.09 1584 1362 A 73 PRO HDy B 126 LEU HDy% 1.0 . 4.30 1585 1362 A 73 PRO HDx B 126 LEU HDy% 1.0 . 4.30 1586 1362 B 126 LEU HDx% A 73 PRO HDx 1.0 . 4.30 1587 1362 B 126 LEU HDx% A 73 PRO HDy 1.0 . 4.30 1588 1363 B 123 TRP HZ2 A 76 LEU HDy% 1.0 . 4.08 1589 1363 B 123 TRP HZ2 A 76 LEU HDx% 1.0 . 4.08 1590 1364 A 76 LEU HDx% B 126 LEU HDy% 1.0 . 3.43 1591 1364 B 126 LEU HDx% A 76 LEU HDy% 1.0 . 3.43 1592 1364 B 126 LEU HDx% A 76 LEU HDx% 1.0 . 3.43 1593 1364 A 76 LEU HDy% B 126 LEU HDy% 1.0 . 3.43 1594 1365 A 80 LEU HDy% B 126 LEU HDy% 1.0 . 4.20 1595 1365 A 80 LEU HDx% B 126 LEU HDy% 1.0 . 4.20 1596 1365 B 126 LEU HDx% A 80 LEU HDy% 1.0 . 4.20 1597 1365 B 126 LEU HDx% A 80 LEU HDx% 1.0 . 4.20 1598 1366 A 49 GLN HE22 B 118 THR HG2% 1.0 . 5.06 1599 1367 A 49 GLN HE21 B 118 THR HG2% 1.0 . 5.06 1600 1368 A 35 GLY H B 123 TRP HZ2 1.0 . 4.13 1601 1369 B 123 TRP HZ3 A 35 GLY H 1.0 . 5.18 1602 1370 A 50 HIS H B 122 LEU HDy% 1.0 . 3.58 1603 1370 A 50 HIS H B 122 LEU HDx% 1.0 . 3.58 1604 1371 B 123 TRP HE1 A 31 MET HE% 1.0 . 4.67 1605 1372 B 123 TRP HZ2 A 31 MET HE% 1.0 . 3.49 1606 1373 A 31 MET HE% B 123 TRP HH2 1.0 . 4.21 1607 1374 A 31 MET HE% B 126 LEU HDx% 1.0 . 3.47 1608 1375 A 31 MET HE% B 126 LEU HDy% 1.0 . 3.11 1609 1376 A 31 MET HA B 123 TRP HZ2 1.0 . 3.81 1610 1377 B 123 TRP HE1 A 31 MET HG2 1.0 . 4.31 1611 1377 B 123 TRP HE1 A 31 MET HG3 1.0 . 4.31 1612 1378 B 123 TRP HE1 A 32 HIS HA 1.0 . 4.21 1613 1379 A 38 ILE HD1% B 119 PHE HE% 1.0 . 3.72 1614 1380 A 38 ILE HB B 119 PHE HE% 1.0 . 4.18 1615 1381 A 38 ILE HB B 119 PHE HZ 1.0 . 4.08 1616 1382 B 123 TRP HH2 A 76 LEU HDy% 1.0 . 3.52 1617 1383 B 123 TRP HE3 A 70 VAL HGx% 1.0 . 3.69 1618 1384 A 70 VAL HGx% B 126 LEU HDy% 1.0 . 4.64 1619 1385 B 123 TRP HE3 A 70 VAL HGy% 1.0 . 3.73 1620 1386 A 70 VAL HGy% B 126 LEU HDy% 1.0 . 3.85 1621 1387 B 123 TRP HZ3 A 70 VAL HA 1.0 . 4.56 1622 1388 B 123 TRP HH2 A 34 LEU HDy% 1.0 . 3.62 1623 1389 B 123 TRP HZ2 A 34 LEU HBx 1.0 . 3.53 1624 1390 B 123 TRP HZ2 A 34 LEU HBy 1.0 . 3.70 1625 1391 B 119 PHE HE% A 35 GLY HAy 1.0 . 4.23 1626 1392 B 123 TRP HE1 A 35 GLY HAy 1.0 . 4.60 1627 1393 B 119 PHE HZ A 35 GLY HAy 1.0 . 4.56 1628 1394 B 123 TRP HE1 A 35 GLY H 1.0 . 4.14 1629 1395 A 49 GLN HBy B 119 PHE H 1.0 . 4.13 1630 1396 A 49 GLN HGx B 119 PHE H 1.0 . 4.59 1631 1397 B 119 PHE HD% A 39 MET HBy 1.0 . 4.31 1632 1398 B 119 PHE HE% A 39 MET HBy 1.0 . 3.97 1633 1399 A 39 MET HBx B 119 PHE HD% 1.0 . 4.17 1634 1400 B 119 PHE HD% A 39 MET HG2 1.0 . 4.69 1635 1400 A 39 MET HG3 B 119 PHE HD% 1.0 . 4.69 1636 1401 B 119 PHE HE% A 39 MET H 1.0 . 5.37 1637 1402 A 50 HIS HBy B 122 LEU HDy% 1.0 . 4.19 1638 1403 A 50 HIS HBx B 122 LEU HDy% 1.0 . 3.96 1639 1404 A 50 HIS HA B 122 LEU HDy% 1.0 . 3.55 1640 1405 A 50 HIS H B 122 LEU HDy% 1.0 . 4.66 1641 1406 A 50 HIS H B 122 LEU HDx% 1.0 . 5.50 1642 1407 B 122 LEU HDx% A 71 LYS HE2 1.0 . 3.52 1643 1407 A 71 LYS HE3 B 122 LEU HDx% 1.0 . 3.52 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-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 16 HIS H A 12 LEU O 1.0 . 1.8 2 2 A 12 LEU O A 16 HIS N 1.0 . 2.7 3 3 A 17 ALA H A 13 LYS O 1.0 . 1.8 4 4 A 13 LYS O A 17 ALA N 1.0 . 2.7 5 5 A 19 GLY H A 16 HIS O 1.0 . 1.8 6 6 A 16 HIS O A 19 GLY N 1.0 . 2.7 7 7 A 30 VAL H A 26 THR O 1.0 . 1.8 8 8 A 26 THR O A 30 VAL N 1.0 . 2.7 9 9 A 31 MET H A 27 VAL O 1.0 . 1.8 10 10 A 27 VAL O A 31 MET N 1.0 . 2.7 11 11 A 32 HIS H A 28 LYS O 1.0 . 1.8 12 12 A 28 LYS O A 32 HIS N 1.0 . 2.7 13 13 A 33 TYR H A 29 GLU O 1.0 . 1.8 14 14 A 29 GLU O A 33 TYR N 1.0 . 2.7 15 15 A 36 GLN H A 32 HIS O 1.0 . 1.8 16 16 A 32 HIS O A 36 GLN N 1.0 . 2.7 17 17 A 37 TYR H A 33 TYR O 1.0 . 1.8 18 18 A 33 TYR O A 37 TYR N 1.0 . 2.7 19 19 A 38 ILE H A 34 LEU O 1.0 . 1.8 20 20 A 34 LEU O A 38 ILE N 1.0 . 2.7 21 21 A 39 MET H A 35 GLY O 1.0 . 1.8 22 22 A 35 GLY O A 39 MET N 1.0 . 2.7 23 23 A 40 VAL H A 36 GLN O 1.0 . 1.8 24 24 A 36 GLN O A 40 VAL N 1.0 . 2.7 25 25 A 42 GLN H A 38 ILE O 1.0 . 1.8 26 26 A 38 ILE O A 42 GLN N 1.0 . 2.7 27 27 A 41 LYS H A 37 TYR O 1.0 . 1.8 28 28 A 37 TYR O A 41 LYS N 1.0 . 2.7 29 29 A 51 MET H A 48 GLU O 1.0 . 1.8 30 30 A 48 GLU O A 51 MET N 1.0 . 2.7 31 31 A 57 ASP H A 54 CYS O 1.0 . 1.8 32 32 A 54 CYS O A 57 ASP N 1.0 . 2.7 33 33 A 61 GLU H A 57 ASP O 1.0 . 1.8 34 34 A 57 ASP O A 61 GLU N 1.0 . 2.7 35 35 A 62 LEU H A 58 LEU O 1.0 . 1.8 36 36 A 58 LEU O A 62 LEU N 1.0 . 2.7 37 37 A 63 LEU H A 59 LEU O 1.0 . 1.8 38 38 A 59 LEU O A 63 LEU N 1.0 . 2.7 39 39 A 64 GLY H A 60 GLY O 1.0 . 1.8 40 40 A 60 GLY O A 64 GLY N 1.0 . 2.7 41 41 A 80 LEU H A 76 LEU O 1.0 . 1.8 42 42 A 76 LEU O A 80 LEU N 1.0 . 2.7 43 43 A 81 ARG H A 77 TYR O 1.0 . 1.8 44 44 A 77 TYR O A 81 ARG N 1.0 . 2.7 45 45 A 82 LYS H A 78 ASP O 1.0 . 1.8 46 46 A 78 ASP O A 82 LYS N 1.0 . 2.7 47 47 A 83 ASN H A 80 LEU O 1.0 . 1.8 48 48 A 80 LEU O A 83 ASN N 1.0 . 2.7 49 49 A 16 HIS H A 12 LEU O 1.0 . 2.0 50 50 A 12 LEU O A 16 HIS N 1.0 . 3.0 51 51 A 17 ALA H A 13 LYS O 1.0 . 2.0 52 52 A 13 LYS O A 17 ALA N 1.0 . 3.0 53 53 A 19 GLY H A 16 HIS O 1.0 . 2.0 54 54 A 16 HIS O A 19 GLY N 1.0 . 3.0 55 55 A 30 VAL H A 26 THR O 1.0 . 2.0 56 56 A 26 THR O A 30 VAL N 1.0 . 3.0 57 57 A 31 MET H A 27 VAL O 1.0 . 2.0 58 58 A 27 VAL O A 31 MET N 1.0 . 3.0 59 59 A 37 TYR H A 33 TYR O 1.0 . 2.0 60 60 A 33 TYR O A 37 TYR N 1.0 . 3.0 61 61 A 38 ILE H A 34 LEU O 1.0 . 2.0 62 62 A 34 LEU O A 38 ILE N 1.0 . 3.0 63 63 A 39 MET H A 35 GLY O 1.0 . 2.0 64 64 A 35 GLY O A 39 MET N 1.0 . 3.0 65 65 A 40 VAL H A 36 GLN O 1.0 . 2.0 66 66 A 36 GLN O A 40 VAL N 1.0 . 3.0 67 67 A 42 GLN H A 38 ILE O 1.0 . 2.0 68 68 A 38 ILE O A 42 GLN N 1.0 . 3.0 69 69 A 41 LYS H A 37 TYR O 1.0 . 2.0 70 70 A 37 TYR O A 41 LYS N 1.0 . 3.0 71 71 A 51 MET H A 48 GLU O 1.0 . 2.0 72 72 A 48 GLU O A 51 MET N 1.0 . 3.0 73 73 A 57 ASP H A 54 CYS O 1.0 . 2.0 74 74 A 54 CYS O A 57 ASP N 1.0 . 3.0 75 75 A 61 GLU H A 57 ASP O 1.0 . 2.0 76 76 A 57 ASP O A 61 GLU N 1.0 . 3.0 77 77 A 62 LEU H A 58 LEU O 1.0 . 2.0 78 78 A 58 LEU O A 62 LEU N 1.0 . 3.0 79 79 A 63 LEU H A 59 LEU O 1.0 . 2.0 80 80 A 59 LEU O A 63 LEU N 1.0 . 3.0 81 81 A 64 GLY H A 60 GLY O 1.0 . 2.0 82 82 A 60 GLY O A 64 GLY N 1.0 . 3.0 83 83 A 80 LEU H A 76 LEU O 1.0 . 2.0 84 84 A 76 LEU O A 80 LEU N 1.0 . 3.0 85 85 A 81 ARG H A 77 TYR O 1.0 . 2.0 86 86 A 77 TYR O A 81 ARG N 1.0 . 3.0 87 87 A 83 ASN H A 80 LEU O 1.0 . 2.0 88 88 A 80 LEU O A 83 ASN N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 3 ASN C A 4 GLN N A 4 GLN CA A 4 GLN C 1.0 -163.0 -68.4 PHI 2 2 A 4 GLN N A 4 GLN CA A 4 GLN C A 5 VAL N 1.0 135.5 180.3 PSI 3 3 A 4 GLN C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -163.2 -104.2 PHI 4 4 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 ARG N 1.0 138.9 172.0 PSI 5 5 A 5 VAL C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -164.6 -87.1 PHI 6 6 A 8 LYS C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -83.1 -32.5 PHI 7 7 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 PRO N 1.0 -64.9 -14.4 PSI 8 8 A 11 LEU C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -76.9 -47.1 PHI 9 9 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 LYS N 1.0 -58.7 -31.2 PSI 10 10 A 12 LEU C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -72.4 -51.7 PHI 11 11 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 ILE N 1.0 -52.8 -12.9 PSI 12 12 A 13 LYS C A 14 ILE N A 14 ILE CA A 14 ILE C 1.0 -77.4 -55.4 PHI 13 13 A 14 ILE N A 14 ILE CA A 14 ILE C A 15 LEU N 1.0 -54.3 -34.3 PSI 14 14 A 14 ILE C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -70.6 -50.6 PHI 15 15 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 HIS N 1.0 -56.9 -30.8 PSI 16 16 A 15 LEU C A 16 HIS N A 16 HIS CA A 16 HIS C 1.0 -76.2 -52.0 PHI 17 17 A 16 HIS N A 16 HIS CA A 16 HIS C A 17 ALA N 1.0 -49.5 -28.4 PSI 18 18 A 16 HIS C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -80.3 -53.6 PHI 19 19 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 ALA N 1.0 -43.0 -4.1 PSI 20 20 A 17 ALA C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -118.2 -64.6 PHI 21 21 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 GLY N 1.0 -25.7 29.4 PSI 22 22 A 22 GLY C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -180.7 -52.5 PHI 23 23 A 25 PHE N A 25 PHE CA A 25 PHE C A 26 THR N 1.0 122.2 178.4 PSI 24 24 A 25 PHE C A 26 THR N A 26 THR CA A 26 THR C 1.0 -96.3 -60.0 PHI 25 25 A 26 THR N A 26 THR CA A 26 THR C A 27 VAL N 1.0 150.6 184.4 PSI 26 26 A 26 THR C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -69.6 -47.9 PHI 27 27 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 LYS N 1.0 -53.1 -26.2 PSI 28 28 A 27 VAL C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -72.6 -48.2 PHI 29 29 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 GLU N 1.0 -50.3 -30.3 PSI 30 30 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 VAL N 1.0 -58.3 -28.7 PSI 31 31 A 29 GLU C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -75.2 -52.7 PHI 32 32 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 MET N 1.0 -59.8 -29.7 PSI 33 33 A 30 VAL C A 31 MET N A 31 MET CA A 31 MET C 1.0 -73.0 -47.4 PHI 34 34 A 31 MET N A 31 MET CA A 31 MET C A 32 HIS N 1.0 -51.8 -24.0 PSI 35 35 A 31 MET C A 32 HIS N A 32 HIS CA A 32 HIS C 1.0 -74.4 -51.7 PHI 36 36 A 32 HIS N A 32 HIS CA A 32 HIS C A 33 TYR N 1.0 -59.7 -27.7 PSI 37 37 A 32 HIS C A 33 TYR N A 33 TYR CA A 33 TYR C 1.0 -74.3 -54.3 PHI 38 38 A 33 TYR N A 33 TYR CA A 33 TYR C A 34 LEU N 1.0 -53.7 -26.7 PSI 39 39 A 33 TYR C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -86.9 -50.7 PHI 40 40 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 GLY N 1.0 -58.4 -24.8 PSI 41 41 A 34 LEU C A 35 GLY N A 35 GLY CA A 35 GLY C 1.0 -74.3 -54.3 PHI 42 42 A 35 GLY N A 35 GLY CA A 35 GLY C A 36 GLN N 1.0 -47.3 -27.3 PSI 43 43 A 35 GLY C A 36 GLN N A 36 GLN CA A 36 GLN C 1.0 -75.0 -55.0 PHI 44 44 A 36 GLN N A 36 GLN CA A 36 GLN C A 37 TYR N 1.0 -52.7 -31.8 PSI 45 45 A 36 GLN C A 37 TYR N A 37 TYR CA A 37 TYR C 1.0 -74.5 -54.5 PHI 46 46 A 37 TYR N A 37 TYR CA A 37 TYR C A 38 ILE N 1.0 -54.4 -34.4 PSI 47 47 A 37 TYR C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -72.5 -52.5 PHI 48 48 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 MET N 1.0 -55.7 -27.6 PSI 49 49 A 38 ILE C A 39 MET N A 39 MET CA A 39 MET C 1.0 -73.2 -53.1 PHI 50 50 A 39 MET N A 39 MET CA A 39 MET C A 40 VAL N 1.0 -52.8 -25.8 PSI 51 51 A 39 MET C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -78.1 -45.8 PHI 52 52 A 40 VAL N A 40 VAL CA A 40 VAL C A 41 LYS N 1.0 -55.4 -18.7 PSI 53 53 A 40 VAL C A 41 LYS N A 41 LYS CA A 41 LYS C 1.0 -115.9 -65.0 PHI 54 54 A 41 LYS N A 41 LYS CA A 41 LYS C A 42 GLN N 1.0 -15.7 29.8 PSI 55 55 A 44 TYR C A 45 ASP N A 45 ASP CA A 45 ASP C 1.0 -120.3 -55.7 PHI 56 56 A 45 ASP N A 45 ASP CA A 45 ASP C A 46 GLN N 1.0 79.3 198.8 PSI 57 57 A 45 ASP C A 46 GLN N A 46 GLN CA A 46 GLN C 1.0 -69.7 -46.2 PHI 58 58 A 46 GLN N A 46 GLN CA A 46 GLN C A 47 GLN N 1.0 -55.3 -10.5 PSI 59 59 A 46 GLN C A 47 GLN N A 47 GLN CA A 47 GLN C 1.0 -114.5 -51.5 PHI 60 60 A 47 GLN N A 47 GLN CA A 47 GLN C A 48 GLU N 1.0 -36.5 13.6 PSI 61 61 A 57 ASP C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -68.0 -46.7 PHI 62 62 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 LEU N 1.0 -55.7 -28.2 PSI 63 63 A 58 LEU C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -71.8 -51.8 PHI 64 64 A 60 GLY C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -82.6 -48.2 PHI 65 65 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 LEU N 1.0 -65.2 -15.2 PSI 66 66 A 66 GLN C A 67 SER N A 67 SER CA A 67 SER C 1.0 -157.1 -85.2 PHI 67 67 A 67 SER N A 67 SER CA A 67 SER C A 68 PHE N 1.0 124.9 185.8 PSI 68 68 A 67 SER C A 68 PHE N A 68 PHE CA A 68 PHE C 1.0 -193.0 -97.6 PHI 69 69 A 68 PHE C A 69 SER N A 69 SER CA A 69 SER C 1.0 -154.6 -63.5 PHI 70 70 A 69 SER N A 69 SER CA A 69 SER C A 70 VAL N 1.0 136.6 179.6 PSI 71 71 A 69 SER C A 70 VAL N A 70 VAL CA A 70 VAL C 1.0 -77.5 -46.1 PHI 72 72 A 70 VAL N A 70 VAL CA A 70 VAL C A 71 LYS N 1.0 -51.1 2.9 PSI 73 73 A 70 VAL C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -95.0 -48.0 PHI 74 74 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 ASP N 1.0 -53.6 -0.6 PSI 75 75 A 75 PRO C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -73.9 -50.7 PHI 76 76 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 TYR N 1.0 -57.6 -22.9 PSI 77 77 A 76 LEU C A 77 TYR N A 77 TYR CA A 77 TYR C 1.0 -79.4 -46.9 PHI 78 78 A 77 TYR N A 77 TYR CA A 77 TYR C A 78 ASP N 1.0 -52.1 -29.3 PSI 79 79 A 77 TYR C A 78 ASP N A 78 ASP CA A 78 ASP C 1.0 -72.3 -52.3 PHI 80 80 A 78 ASP C A 79 MET N A 79 MET CA A 79 MET C 1.0 -79.5 -53.7 PHI 81 81 A 79 MET N A 79 MET CA A 79 MET C A 80 LEU N 1.0 -49.6 -29.6 PSI 82 82 A 79 MET C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -76.7 -56.5 PHI 83 83 A 81 ARG C A 82 LYS N A 82 LYS CA A 82 LYS C 1.0 -105.2 -53.0 PHI 84 84 A 82 LYS N A 82 LYS CA A 82 LYS C A 83 ASN N 1.0 -44.2 -2.7 PSI 85 85 A 83 ASN C A 84 LEU N A 84 LEU CA A 84 LEU C 1.0 -155.8 -61.1 PHI 86 86 A 84 LEU N A 84 LEU CA A 84 LEU C A 85 VAL N 1.0 96.0 169.8 PSI stop_ save_