data_nef_c18409_2ls3 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 BMRB 18408 BMRB 18410 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 LYS start . . 2 A 2 HIS middle . . 3 A 3 LEU middle . . 4 A 4 LEU middle . . 5 A 5 GLN middle . . 6 A 6 THR middle . . 7 A 7 VAL middle . . 8 A 8 LEU middle . . 9 A 9 HIS middle . . 10 A 10 ILE middle . . 11 A 11 ILE middle . . 12 A 12 GLN middle . . 13 A 13 VAL middle . . 14 A 14 VAL middle . . 15 A 15 ILE middle . . 16 A 16 SER middle . . 17 A 17 TYR middle . . 18 A 18 PHE middle . . 19 A 19 LEU middle . . 20 A 20 MET middle . . 21 A 21 LEU middle . . 22 A 22 ILE middle . . 23 A 23 PHE middle . . 24 A 24 MET middle . . 25 A 25 THR middle . . 26 A 26 TYR middle . . 27 A 27 ASN middle . . 28 A 28 LYS middle . . 29 A 29 LYS 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 LYS HA H 1 4.084 0.000 A 2 HIS H H 1 8.967 0.002 A 2 HIS HA H 1 5.073 0.001 A 2 HIS HBy H 1 3.414 0.000 A 2 HIS HBx H 1 3.316 0.001 A 2 HIS HD1 H 1 7.346 0.000 A 3 LEU H H 1 8.324 0.001 A 3 LEU HA H 1 4.348 0.000 A 3 LEU HBx H 1 1.804 0.000 A 3 LEU HBy H 1 1.804 0.000 A 3 LEU HDx% H 1 1.008 0.001 A 3 LEU HDy% H 1 0.976 0.000 A 3 LEU HG H 1 1.713 0.001 A 4 LEU H H 1 8.113 0.001 A 4 LEU HA H 1 4.178 0.001 A 4 LEU HBx H 1 1.694 0.001 A 4 LEU HBy H 1 1.694 0.001 A 4 LEU HDx% H 1 1.009 0.000 A 4 LEU HDy% H 1 0.966 0.000 A 5 GLN H H 1 8.413 0.001 A 5 GLN HA H 1 4.007 0.001 A 5 GLN HBx H 1 2.188 0.001 A 5 GLN HBy H 1 2.188 0.001 A 5 GLN HE2y H 1 6.985 0.001 A 5 GLN HE2x H 1 6.720 0.000 A 5 GLN HGy H 1 2.636 0.001 A 5 GLN HGx H 1 2.435 0.001 A 6 THR H H 1 7.843 0.001 A 6 THR HA H 1 4.087 0.001 A 6 THR HB H 1 4.555 0.001 A 6 THR HG2% H 1 1.371 0.001 A 7 VAL H H 1 8.073 0.001 A 7 VAL HA H 1 3.737 0.001 A 7 VAL HB H 1 2.297 0.002 A 7 VAL HGx% H 1 1.126 0.002 A 7 VAL HGy% H 1 1.045 0.001 A 8 LEU H H 1 8.398 0.001 A 8 LEU HA H 1 4.203 0.001 A 8 LEU HBx H 1 1.904 0.000 A 8 LEU HBy H 1 1.904 0.000 A 8 LEU HDx% H 1 0.915 0.000 A 8 LEU HDy% H 1 0.915 0.000 A 8 LEU HG H 1 1.502 0.001 A 9 HIS H H 1 7.857 0.001 A 9 HIS HA H 1 4.503 0.001 A 9 HIS HBy H 1 3.558 0.001 A 9 HIS HBx H 1 3.489 0.000 A 9 HIS HD1 H 1 7.258 0.001 A 10 ILE H H 1 8.114 0.001 A 10 ILE HA H 1 3.682 0.001 A 10 ILE HB H 1 2.184 0.001 A 10 ILE HG1y H 1 1.921 0.001 A 10 ILE HG1x H 1 1.194 0.001 A 11 ILE H H 1 8.451 0.001 A 11 ILE HA H 1 3.724 0.001 A 11 ILE HB H 1 2.012 0.001 A 11 ILE HD1% H 1 0.908 0.000 A 11 ILE HG1y H 1 1.861 0.001 A 11 ILE HG1x H 1 1.230 0.001 A 11 ILE HG2% H 1 0.993 0.000 A 12 GLN H H 1 7.794 0.001 A 12 GLN HA H 1 4.021 0.001 A 12 GLN HBy H 1 2.360 0.001 A 12 GLN HBx H 1 2.225 0.001 A 12 GLN HE2y H 1 6.718 0.001 A 12 GLN HE2x H 1 6.276 0.000 A 12 GLN HGx H 1 2.745 0.001 A 12 GLN HGy H 1 2.745 0.001 A 13 VAL H H 1 8.041 0.001 A 13 VAL HA H 1 3.625 0.001 A 13 VAL HB H 1 2.454 0.001 A 13 VAL HGx% H 1 0.975 0.000 A 13 VAL HGy% H 1 0.975 0.000 A 14 VAL H H 1 8.501 0.001 A 14 VAL HA H 1 3.679 0.001 A 14 VAL HB H 1 2.321 0.001 A 14 VAL HGx% H 1 1.115 0.002 A 14 VAL HGy% H 1 1.047 0.001 A 15 ILE H H 1 8.912 0.001 A 15 ILE HA H 1 3.963 0.001 A 15 ILE HB H 1 2.005 0.001 A 15 ILE HD1% H 1 0.903 0.000 A 15 ILE HG1y H 1 1.893 0.001 A 15 ILE HG1x H 1 1.316 0.001 A 15 ILE HG2% H 1 1.048 0.001 A 16 SER H H 1 8.045 0.001 A 16 SER HA H 1 4.217 0.001 A 16 SER HBx H 1 4.066 0.001 A 16 SER HBy H 1 4.066 0.001 A 17 TYR H H 1 8.272 0.001 A 17 TYR HA H 1 4.360 0.000 A 17 TYR HBy H 1 3.319 0.001 A 17 TYR HBx H 1 3.235 0.001 A 17 TYR HDx H 1 6.993 0.001 A 18 PHE H H 1 8.411 0.001 A 18 PHE HA H 1 4.344 0.001 A 18 PHE HBx H 1 3.331 0.001 A 18 PHE HBy H 1 3.331 0.001 A 18 PHE HDy H 1 7.258 0.001 A 19 LEU H H 1 8.868 0.001 A 19 LEU HA H 1 4.080 0.001 A 19 LEU HBx H 1 1.466 0.001 A 19 LEU HBy H 1 1.466 0.001 A 19 LEU HDx% H 1 0.916 0.000 A 19 LEU HDy% H 1 0.916 0.000 A 20 MET H H 1 7.910 0.001 A 20 MET HA H 1 4.305 0.001 A 20 MET HBx H 1 2.328 0.001 A 20 MET HBy H 1 2.328 0.001 A 20 MET HGy H 1 2.743 0.001 A 20 MET HGx H 1 2.637 0.001 A 21 LEU H H 1 8.081 0.001 A 21 LEU HA H 1 4.096 0.002 A 21 LEU HBx H 1 1.896 0.001 A 21 LEU HBy H 1 1.896 0.001 A 21 LEU HDx% H 1 0.856 0.000 A 21 LEU HDy% H 1 0.856 0.000 A 21 LEU HG H 1 1.674 0.001 A 22 ILE H H 1 8.503 0.001 A 22 ILE HA H 1 3.665 0.001 A 22 ILE HB H 1 2.058 0.001 A 22 ILE HD1% H 1 0.779 0.000 A 22 ILE HG1y H 1 1.635 0.001 A 22 ILE HG1x H 1 1.063 0.002 A 22 ILE HG2% H 1 0.912 0.000 A 23 PHE H H 1 8.695 0.001 A 23 PHE HA H 1 4.294 0.001 A 23 PHE HBx H 1 3.378 0.001 A 23 PHE HBy H 1 3.378 0.001 A 23 PHE HDx H 1 7.254 0.001 A 24 MET H H 1 9.154 0.001 A 24 MET HA H 1 4.237 0.001 A 24 MET HBy H 1 2.415 0.000 A 24 MET HBx H 1 2.167 0.000 A 24 MET HGy H 1 2.917 0.001 A 24 MET HGx H 1 2.827 0.001 A 25 THR H H 1 8.255 0.001 A 25 THR HA H 1 4.030 0.002 A 25 THR HB H 1 4.389 0.001 A 25 THR HG2% H 1 1.215 0.000 A 26 TYR H H 1 8.672 0.001 A 26 TYR HA H 1 4.280 0.001 A 26 TYR HBy H 1 3.174 0.000 A 26 TYR HBx H 1 3.083 0.000 A 26 TYR HDx H 1 7.135 0.001 A 26 TYR HEx H 1 6.841 0.001 A 27 ASN H H 1 7.822 0.001 A 27 ASN HA H 1 4.543 0.001 A 27 ASN HBy H 1 2.682 0.000 A 27 ASN HBx H 1 2.603 0.001 A 27 ASN HD2y H 1 6.894 0.001 A 27 ASN HD2x H 1 5.888 0.001 A 28 LYS H H 1 7.928 0.001 A 28 LYS HA H 1 4.409 0.000 A 28 LYS HBy H 1 1.989 0.001 A 28 LYS HBx H 1 1.898 0.001 A 28 LYS HDx H 1 1.718 0.001 A 28 LYS HDy H 1 1.718 0.001 A 28 LYS HEx H 1 3.024 0.000 A 28 LYS HEy H 1 3.024 0.000 A 28 LYS HGx H 1 1.498 0.001 A 28 LYS HGy H 1 1.498 0.001 A 29 LYS H H 1 7.837 0.001 A 29 LYS HA H 1 4.304 0.000 A 29 LYS HBx H 1 1.989 0.001 A 29 LYS HBy H 1 1.989 0.001 A 29 LYS HDx H 1 1.765 0.000 A 29 LYS HDy H 1 1.765 0.000 A 29 LYS HEx H 1 3.083 0.000 A 29 LYS HEy H 1 3.083 0.000 A 29 LYS HGx H 1 1.550 0.001 A 29 LYS HGy H 1 1.550 0.001 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 25 THR H A 25 THR HB 1.0 . 3.53 2 2 A 25 THR H A 25 THR HG2% 1.0 . 3.72 3 3 A 25 THR HG2% A 25 THR HA 1.0 . 2.93 4 4 A 6 THR HA A 6 THR HG2% 1.0 . 3.07 5 5 A 6 THR H A 6 THR HB 1.0 . 3.04 6 6 A 6 THR HG2% A 6 THR H 1.0 . 3.89 7 7 A 25 THR H A 24 MET H 1.0 . 3.64 8 8 A 24 MET H A 24 MET HGy 1.0 . 3.89 9 9 A 24 MET H A 24 MET HGx 1.0 . 3.89 10 10 A 24 MET H A 24 MET HBy 1.0 . 3.65 11 11 A 24 MET H A 24 MET HBx 1.0 . 3.65 12 12 A 25 THR H A 24 MET HBy 1.0 . 4.32 13 13 A 25 THR H A 24 MET HBx 1.0 . 4.32 14 14 A 25 THR HB A 26 TYR H 1.0 . 3.68 15 15 A 26 TYR H A 26 TYR HBy 1.0 . 3.40 16 16 A 26 TYR H A 26 TYR HBx 1.0 . 3.40 17 17 A 27 ASN H A 26 TYR HBx 1.0 . 4.20 18 18 A 27 ASN H A 26 TYR HBy 1.0 . 4.20 19 19 A 26 TYR HDx A 26 TYR HBx 1.0 . 3.73 20 20 A 26 TYR HDx A 26 TYR HBy 1.0 . 3.73 21 21 A 26 TYR HDx A 26 TYR HA 1.0 . 3.64 22 22 A 25 THR H A 26 TYR H 1.0 . 3.53 23 23 A 23 PHE H A 23 PHE HBx 1.0 . 3.07 24 23 A 23 PHE H A 23 PHE HBy 1.0 . 3.07 25 24 A 23 PHE HA A 23 PHE HDx 1.0 . 3.56 26 25 A 24 MET H A 23 PHE H 1.0 . 3.59 27 26 A 23 PHE H A 23 PHE HDx 1.0 . 4.14 28 27 A 6 THR H A 7 VAL H 1.0 . 3.40 29 28 A 6 THR H A 5 GLN H 1.0 . 3.35 30 29 A 5 GLN H A 5 GLN HBx 1.0 . 3.17 31 29 A 5 GLN H A 5 GLN HBy 1.0 . 3.17 32 30 A 6 THR HG2% A 7 VAL H 1.0 . 4.00 33 31 A 6 THR HB A 7 VAL H 1.0 . 3.57 34 32 A 7 VAL H A 7 VAL HB 1.0 . 3.29 35 33 A 7 VAL H A 7 VAL HGx% 1.0 . 3.62 36 34 A 7 VAL H A 7 VAL HGy% 1.0 . 3.62 37 35 A 7 VAL HA A 7 VAL HGx% 1.0 . 3.00 38 36 A 7 VAL HA A 7 VAL HGy% 1.0 . 3.00 39 37 A 5 GLN H A 5 GLN HGx 1.0 . 4.47 40 38 A 5 GLN H A 5 GLN HGy 1.0 . 4.47 41 39 A 6 THR H A 5 GLN HBx 1.0 . 3.69 42 39 A 6 THR H A 5 GLN HBy 1.0 . 3.69 43 40 A 8 LEU H A 8 LEU HBx 1.0 . 3.23 44 40 A 8 LEU H A 8 LEU HBy 1.0 . 3.23 45 41 A 8 LEU HA A 8 LEU HDx% 1.0 . 2.83 46 41 A 8 LEU HA A 8 LEU HDy% 1.0 . 2.83 47 42 A 8 LEU HBy A 8 LEU HDx% 1.0 . 2.53 48 42 A 8 LEU HBx A 8 LEU HDx% 1.0 . 2.53 49 42 A 8 LEU HDy% A 8 LEU HBx 1.0 . 2.53 50 42 A 8 LEU HBy A 8 LEU HDy% 1.0 . 2.53 51 43 A 7 VAL H A 8 LEU H 1.0 . 3.46 52 44 A 8 LEU H A 9 HIS H 1.0 . 3.48 53 45 A 8 LEU H A 8 LEU HDx% 1.0 . 3.33 54 45 A 8 LEU H A 8 LEU HDy% 1.0 . 3.33 55 46 A 8 LEU H A 7 VAL HGy% 1.0 . 3.86 56 47 A 8 LEU H A 7 VAL HGx% 1.0 . 3.86 57 48 A 8 LEU HA A 11 ILE H 1.0 . 4.03 58 49 A 9 HIS H A 9 HIS HBy 1.0 . 3.54 59 50 A 9 HIS H A 9 HIS HBx 1.0 . 3.54 60 51 A 9 HIS HBx A 10 ILE H 1.0 . 4.13 61 52 A 9 HIS HBy A 10 ILE H 1.0 . 4.13 62 53 A 9 HIS HA A 9 HIS HD1 1.0 . 4.28 63 54 A 9 HIS H A 10 ILE H 1.0 . 3.45 64 55 A 7 VAL HA A 10 ILE H 1.0 . 3.71 65 56 A 10 ILE H A 10 ILE HB 1.0 . 3.38 66 57 A 10 ILE H A 10 ILE HG1y 1.0 . 3.90 67 58 A 4 LEU H A 4 LEU HBx 1.0 . 2.85 68 58 A 4 LEU H A 4 LEU HBy 1.0 . 2.85 69 59 A 10 ILE H A 10 ILE HG1x 1.0 . 3.90 70 60 A 10 ILE HA A 10 ILE HG1y 1.0 . 3.77 71 61 A 10 ILE HA A 10 ILE HG1x 1.0 . 3.77 72 62 A 3 LEU H A 3 LEU HBx 1.0 . 3.48 73 62 A 3 LEU H A 3 LEU HBy 1.0 . 3.48 74 63 A 3 LEU H A 3 LEU HG 1.0 . 3.34 75 64 A 27 ASN H A 27 ASN HD2y 1.0 . 4.52 76 65 A 26 TYR H A 27 ASN H 1.0 . 3.52 77 66 A 26 TYR H A 26 TYR HDx 1.0 . 3.99 78 67 A 27 ASN H A 27 ASN HBy 1.0 . 3.62 79 68 A 27 ASN H A 27 ASN HBx 1.0 . 3.62 80 69 A 27 ASN H A 27 ASN HD2x 1.0 . 4.52 81 70 A 27 ASN H A 26 TYR HDx 1.0 . 4.30 82 71 A 28 LYS H A 28 LYS HBy 1.0 . 3.73 83 72 A 28 LYS H A 28 LYS HBx 1.0 . 3.73 84 73 A 28 LYS H A 28 LYS HGx 1.0 . 3.79 85 73 A 28 LYS H A 28 LYS HGy 1.0 . 3.79 86 74 A 28 LYS H A 28 LYS HDx 1.0 . 4.77 87 74 A 28 LYS H A 28 LYS HDy 1.0 . 4.77 88 75 A 28 LYS HA A 28 LYS HDx 1.0 . 4.21 89 75 A 28 LYS HDy A 28 LYS HA 1.0 . 4.21 90 76 A 27 ASN H A 28 LYS H 1.0 . 3.67 91 77 A 29 LYS HA A 29 LYS HDx 1.0 . 4.03 92 77 A 29 LYS HA A 29 LYS HDy 1.0 . 4.03 93 78 A 29 LYS H A 29 LYS HDx 1.0 . 4.43 94 78 A 29 LYS HDy A 29 LYS H 1.0 . 4.43 95 79 A 29 LYS H A 29 LYS HGx 1.0 . 3.86 96 79 A 29 LYS H A 29 LYS HGy 1.0 . 3.86 97 80 A 29 LYS H A 29 LYS HBx 1.0 . 3.53 98 80 A 29 LYS H A 29 LYS HBy 1.0 . 3.53 99 81 A 28 LYS H A 29 LYS H 1.0 . 3.42 100 82 A 29 LYS HA A 29 LYS HGx 1.0 . 3.95 101 82 A 29 LYS HA A 29 LYS HGy 1.0 . 3.95 102 83 A 15 ILE H A 15 ILE HB 1.0 . 3.36 103 84 A 15 ILE H A 15 ILE HG1y 1.0 . 3.88 104 85 A 15 ILE H A 15 ILE HG1x 1.0 . 3.88 105 86 A 15 ILE HA A 15 ILE HG1y 1.0 . 3.83 106 87 A 15 ILE HA A 15 ILE HG1x 1.0 . 3.83 107 88 A 15 ILE HA A 15 ILE HG2% 1.0 . 3.06 108 89 A 15 ILE H A 15 ILE HD1% 1.0 . 3.77 109 90 A 15 ILE HB A 16 SER H 1.0 . 3.60 110 91 A 13 VAL H A 13 VAL HB 1.0 . 3.39 111 92 A 13 VAL HA A 13 VAL HGx% 1.0 . 2.78 112 92 A 13 VAL HA A 13 VAL HGy% 1.0 . 2.78 113 93 A 15 ILE H A 14 VAL H 1.0 . 3.75 114 94 A 15 ILE H A 16 SER H 1.0 . 3.59 115 95 A 4 LEU H A 3 LEU H 1.0 . 3.49 116 96 A 2 HIS HA A 2 HIS HD1 1.0 . 3.98 117 97 A 24 MET H A 23 PHE HDx 1.0 . 4.30 118 98 A 3 LEU H A 2 HIS HBy 1.0 . 4.26 119 99 A 3 LEU H A 2 HIS HBx 1.0 . 4.26 120 100 A 5 GLN H A 2 HIS HA 1.0 . 4.07 121 101 A 4 LEU H A 2 HIS HA 1.0 . 4.61 122 102 A 4 LEU H A 3 LEU HA 1.0 . 3.51 123 103 A 4 LEU H A 3 LEU HBx 1.0 . 3.74 124 103 A 4 LEU H A 3 LEU HBy 1.0 . 3.74 125 104 A 4 LEU HBy A 4 LEU HDx% 1.0 . 2.65 126 104 A 4 LEU HDx% A 4 LEU HBx 1.0 . 2.65 127 105 A 3 LEU H A 3 LEU HDx% 1.0 . 4.07 128 106 A 5 GLN H A 4 LEU H 1.0 . 3.34 129 107 A 3 LEU HG A 3 LEU HA 1.0 . 3.62 130 108 A 3 LEU HA A 3 LEU HDx% 1.0 . 3.52 131 109 A 3 LEU HA A 3 LEU HDy% 1.0 . 3.52 132 110 A 3 LEU H A 3 LEU HDy% 1.0 . 4.07 133 111 A 4 LEU HA A 4 LEU HDx% 1.0 . 3.45 134 112 A 4 LEU HA A 4 LEU HDy% 1.0 . 3.45 135 113 A 4 LEU HBy A 4 LEU HDy% 1.0 . 2.65 136 113 A 4 LEU HBx A 4 LEU HDy% 1.0 . 2.65 137 114 A 4 LEU H A 4 LEU HDx% 1.0 . 3.50 138 115 A 4 LEU H A 4 LEU HDy% 1.0 . 3.50 139 116 A 5 GLN H A 4 LEU HBx 1.0 . 3.34 140 116 A 5 GLN H A 4 LEU HBy 1.0 . 3.34 141 117 A 11 ILE H A 12 GLN H 1.0 . 3.73 142 118 A 11 ILE H A 11 ILE HG1y 1.0 . 3.80 143 119 A 11 ILE H A 11 ILE HB 1.0 . 3.41 144 120 A 11 ILE H A 11 ILE HG1x 1.0 . 3.80 145 121 A 11 ILE HA A 11 ILE HG1y 1.0 . 3.81 146 122 A 11 ILE HA A 11 ILE HG1x 1.0 . 3.81 147 123 A 11 ILE H A 10 ILE H 1.0 . 3.46 148 124 A 12 GLN H A 12 GLN HGx 1.0 . 3.82 149 124 A 12 GLN H A 12 GLN HGy 1.0 . 3.82 150 125 A 12 GLN H A 12 GLN HBy 1.0 . 3.79 151 126 A 12 GLN H A 12 GLN HBx 1.0 . 3.79 152 127 A 12 GLN H A 11 ILE HB 1.0 . 3.73 153 128 A 13 VAL H A 12 GLN HGx 1.0 . 4.74 154 128 A 13 VAL H A 12 GLN HGy 1.0 . 4.74 155 129 A 12 GLN HE2y A 12 GLN HBy 1.0 . 6.98 156 130 A 13 VAL H A 12 GLN H 1.0 . 3.65 157 131 A 6 THR HG2% A 10 ILE H 1.0 . 4.37 158 132 A 11 ILE H A 10 ILE HB 1.0 . 3.65 159 133 A 12 GLN HE2x A 12 GLN HBy 1.0 . 6.98 160 134 A 10 ILE HA A 13 VAL H 1.0 . 3.61 161 135 A 13 VAL H A 13 VAL HGx% 1.0 . 2.97 162 135 A 13 VAL H A 13 VAL HGy% 1.0 . 2.97 163 136 A 13 VAL HB A 14 VAL H 1.0 . 3.68 164 137 A 14 VAL H A 14 VAL HGy% 1.0 . 3.33 165 138 A 14 VAL H A 14 VAL HGx% 1.0 . 3.33 166 139 A 14 VAL H A 14 VAL HB 1.0 . 3.42 167 140 A 13 VAL H A 14 VAL H 1.0 . 3.41 168 141 A 15 ILE H A 12 GLN HA 1.0 . 4.09 169 142 A 15 ILE H A 14 VAL HB 1.0 . 3.71 170 143 A 15 ILE H A 14 VAL HGx% 1.0 . 3.96 171 144 A 15 ILE HA A 15 ILE HD1% 1.0 . 3.64 172 145 A 15 ILE HB A 15 ILE HD1% 1.0 . 2.77 173 146 A 15 ILE HG2% A 15 ILE HG1y 1.0 . 3.37 174 147 A 15 ILE HG2% A 15 ILE HG1x 1.0 . 3.37 175 148 A 16 SER H A 16 SER HBx 1.0 . 3.53 176 148 A 16 SER H A 16 SER HBy 1.0 . 3.53 177 149 A 13 VAL H A 12 GLN HBy 1.0 . 4.08 178 150 A 13 VAL H A 12 GLN HBx 1.0 . 4.08 179 151 A 16 SER H A 17 TYR H 1.0 . 3.67 180 152 A 17 TYR H A 17 TYR HBy 1.0 . 3.38 181 153 A 17 TYR H A 17 TYR HBx 1.0 . 3.38 182 154 A 17 TYR HA A 17 TYR HDx 1.0 . 3.77 183 155 A 17 TYR H A 17 TYR HDx 1.0 . 4.12 184 156 A 18 PHE H A 18 PHE HBx 1.0 . 2.98 185 156 A 18 PHE H A 18 PHE HBy 1.0 . 2.98 186 157 A 17 TYR H A 18 PHE H 1.0 . 3.43 187 158 A 18 PHE H A 18 PHE HDx 1.0 . 4.37 188 159 A 18 PHE H A 19 LEU H 1.0 . 3.54 189 160 A 19 LEU H A 18 PHE HBx 1.0 . 3.49 190 160 A 18 PHE HBy A 19 LEU H 1.0 . 3.49 191 161 A 19 LEU H A 19 LEU HBx 1.0 . 3.81 192 161 A 19 LEU H A 19 LEU HBy 1.0 . 3.81 193 162 A 15 ILE HG2% A 19 LEU H 1.0 . 3.87 194 163 A 19 LEU HA A 19 LEU HDx% 1.0 . 2.87 195 163 A 19 LEU HA A 19 LEU HDy% 1.0 . 2.87 196 164 A 19 LEU H A 19 LEU HDx% 1.0 . 3.50 197 164 A 19 LEU H A 19 LEU HDy% 1.0 . 3.50 198 165 A 15 ILE HA A 19 LEU H 1.0 . 4.10 199 166 A 19 LEU H A 20 MET H 1.0 . 3.65 200 167 A 20 MET H A 20 MET HGx 1.0 . 4.44 201 168 A 20 MET H A 20 MET HBx 1.0 . 3.30 202 168 A 20 MET H A 20 MET HBy 1.0 . 3.30 203 169 A 20 MET H A 20 MET HGy 1.0 . 4.44 204 170 A 20 MET H A 21 LEU H 1.0 . 3.51 205 171 A 21 LEU H A 18 PHE HA 1.0 . 3.54 206 172 A 21 LEU H A 21 LEU HBx 1.0 . 3.38 207 172 A 21 LEU H A 21 LEU HBy 1.0 . 3.38 208 173 A 21 LEU HA A 21 LEU HDx% 1.0 . 3.12 209 173 A 21 LEU HA A 21 LEU HDy% 1.0 . 3.12 210 174 A 21 LEU H A 21 LEU HDx% 1.0 . 3.76 211 174 A 21 LEU H A 21 LEU HDy% 1.0 . 3.76 212 175 A 21 LEU H A 22 ILE H 1.0 . 3.54 213 176 A 22 ILE H A 22 ILE HB 1.0 . 3.44 214 177 A 14 VAL HA A 14 VAL HGx% 1.0 . 3.01 215 178 A 14 VAL HA A 14 VAL HGy% 1.0 . 3.01 216 179 A 22 ILE HB A 22 ILE HD1% 1.0 . 3.49 217 180 A 22 ILE HD1% A 22 ILE HG2% 1.0 . 2.76 218 181 A 22 ILE H A 22 ILE HD1% 1.0 . 3.90 219 182 A 19 LEU HA A 22 ILE H 1.0 . 3.76 220 183 A 23 PHE H A 22 ILE H 1.0 . 3.60 221 184 A 23 PHE H A 19 LEU HA 1.0 . 4.06 222 185 A 23 PHE H A 22 ILE HB 1.0 . 3.63 223 186 A 23 PHE H A 22 ILE HG1y 1.0 . 4.62 224 187 A 23 PHE H A 22 ILE HD1% 1.0 . 4.56 225 188 A 23 PHE H A 22 ILE HG2% 1.0 . 3.61 226 189 A 24 MET H A 21 LEU HA 1.0 . 4.16 227 190 A 24 MET H A 23 PHE HBx 1.0 . 3.55 228 190 A 24 MET H A 23 PHE HBy 1.0 . 3.55 229 191 A 17 TYR H A 14 VAL HA 1.0 . 3.90 230 192 A 23 PHE HDx A 23 PHE HBx 1.0 . 3.34 231 192 A 23 PHE HBy A 23 PHE HDx 1.0 . 3.34 232 193 A 9 HIS H A 8 LEU HBx 1.0 . 3.80 233 193 A 8 LEU HBy A 9 HIS H 1.0 . 3.80 234 194 A 25 THR HG2% A 26 TYR H 1.0 . 3.99 235 195 A 20 MET H A 19 LEU HDx% 1.0 . 4.28 236 195 A 19 LEU HDy% A 20 MET H 1.0 . 4.28 237 196 A 15 ILE HA A 18 PHE HBx 1.0 . 3.96 238 196 A 15 ILE HA A 18 PHE HBy 1.0 . 3.96 239 197 A 17 TYR HBy A 14 VAL HA 1.0 . 4.59 240 198 A 17 TYR HBx A 14 VAL HA 1.0 . 4.59 241 199 A 7 VAL HB A 4 LEU HA 1.0 . 3.75 242 200 A 21 LEU HA A 24 MET HBy 1.0 . 4.32 243 201 A 21 LEU HA A 24 MET HBx 1.0 . 4.32 244 202 A 7 VAL HA A 10 ILE HB 1.0 . 3.63 245 203 A 10 ILE HA A 13 VAL HB 1.0 . 3.79 246 204 A 9 HIS HA A 12 GLN HBy 1.0 . 4.23 247 205 A 9 HIS HA A 12 GLN HBx 1.0 . 4.23 248 206 A 18 PHE HA A 21 LEU HBx 1.0 . 3.80 249 206 A 18 PHE HA A 21 LEU HBy 1.0 . 3.80 250 207 A 6 THR HG2% A 3 LEU HA 1.0 . 4.13 251 208 A 18 PHE HA A 21 LEU HDx% 1.0 . 3.44 252 208 A 18 PHE HA A 21 LEU HDy% 1.0 . 3.44 253 209 A 5 GLN HA A 8 LEU HDx% 1.0 . 3.30 254 209 A 8 LEU HDy% A 5 GLN HA 1.0 . 3.30 255 210 A 13 VAL HB A 14 VAL HGx% 1.0 . 4.30 256 211 A 13 VAL HB A 14 VAL HGy% 1.0 . 4.30 257 212 A 19 LEU H A 16 SER HA 1.0 . 4.03 258 213 A 3 LEU H A 2 HIS HA 1.0 . 3.07 259 214 A 9 HIS HA A 12 GLN H 1.0 . 3.98 260 215 A 7 VAL H A 4 LEU HA 1.0 . 3.71 261 216 A 6 THR H A 4 LEU HBx 1.0 . 4.37 262 216 A 6 THR H A 4 LEU HBy 1.0 . 4.37 263 217 A 7 VAL HA A 9 HIS H 1.0 . 4.39 264 218 A 7 VAL HB A 8 LEU H 1.0 . 3.71 265 219 A 9 HIS HA A 13 VAL H 1.0 . 4.60 266 220 A 15 ILE HG2% A 15 ILE HD1% 1.0 . 2.40 267 221 A 15 ILE HD1% A 18 PHE HBx 1.0 . 4.82 268 221 A 15 ILE HD1% A 18 PHE HBy 1.0 . 4.82 269 222 A 23 PHE H A 22 ILE HG1x 1.0 . 4.62 270 223 A 8 LEU H A 8 LEU HG 1.0 . 3.80 271 224 A 8 LEU HA A 8 LEU HG 1.0 . 3.79 272 225 A 5 GLN HA A 8 LEU HG 1.0 . 4.16 273 226 A 21 LEU HA A 21 LEU HG 1.0 . 3.81 274 227 A 21 LEU H A 21 LEU HG 1.0 . 3.45 275 228 A 19 LEU HA A 22 ILE HD1% 1.0 . 3.64 276 229 A 11 ILE H A 11 ILE HG2% 1.0 . 3.43 277 230 A 11 ILE H A 11 ILE HD1% 1.0 . 3.51 278 231 A 12 GLN H A 11 ILE HD1% 1.0 . 4.09 279 232 A 12 GLN H A 11 ILE HG2% 1.0 . 3.84 280 233 A 11 ILE HA A 11 ILE HG2% 1.0 . 3.16 281 234 A 11 ILE HA A 11 ILE HD1% 1.0 . 3.29 282 235 A 15 ILE HA A 18 PHE H 1.0 . 3.73 283 236 A 17 TYR H A 16 SER HBx 1.0 . 4.09 284 236 A 16 SER HBy A 17 TYR H 1.0 . 4.09 285 237 A 27 ASN H A 24 MET HA 1.0 . 3.89 286 238 A 25 THR HA A 28 LYS H 1.0 . 4.73 287 239 A 27 ASN H A 26 TYR HA 1.0 . 3.20 288 240 A 15 ILE HB A 12 GLN HA 1.0 . 3.60 289 241 A 19 LEU HA A 22 ILE HB 1.0 . 3.60 290 242 A 18 PHE HA A 21 LEU HG 1.0 . 3.59 291 243 A 17 TYR HA A 20 MET HBx 1.0 . 3.91 292 243 A 17 TYR HA A 20 MET HBy 1.0 . 3.91 293 244 A 17 TYR HDx A 18 PHE H 1.0 . 4.19 294 245 A 8 LEU HA A 11 ILE HB 1.0 . 3.55 295 246 A 5 GLN HBy A 2 HIS HBy 1.0 . 4.44 296 246 A 2 HIS HBy A 5 GLN HBx 1.0 . 4.44 297 247 A 5 GLN HBy A 2 HIS HBx 1.0 . 4.44 298 247 A 2 HIS HBx A 5 GLN HBx 1.0 . 4.44 299 248 A 5 GLN HBy A 8 LEU HDx% 1.0 . 3.33 300 248 A 5 GLN HBx A 8 LEU HDx% 1.0 . 3.33 301 248 A 8 LEU HDy% A 5 GLN HBx 1.0 . 3.33 302 248 A 5 GLN HBy A 8 LEU HDy% 1.0 . 3.33 303 249 A 7 VAL HB A 11 ILE HD1% 1.0 . 3.78 304 250 A 4 LEU HBy A 5 GLN HBx 1.0 . 4.39 305 250 A 4 LEU HBx A 5 GLN HBx 1.0 . 4.39 306 250 A 5 GLN HBy A 4 LEU HBx 1.0 . 4.39 307 250 A 5 GLN HBy A 4 LEU HBy 1.0 . 4.39 308 251 A 6 THR HG2% A 5 GLN HBx 1.0 . 4.25 309 251 A 6 THR HG2% A 5 GLN HBy 1.0 . 4.25 310 252 A 25 THR HG2% A 21 LEU HDx% 1.0 . 3.53 311 252 A 25 THR HG2% A 21 LEU HDy% 1.0 . 3.53 312 253 A 18 PHE HBx A 21 LEU HDx% 1.0 . 4.09 313 253 A 18 PHE HBy A 21 LEU HDx% 1.0 . 4.09 314 253 A 21 LEU HDy% A 18 PHE HBx 1.0 . 4.09 315 253 A 18 PHE HBy A 21 LEU HDy% 1.0 . 4.09 316 254 A 15 ILE HG2% A 18 PHE HBx 1.0 . 3.50 317 254 A 15 ILE HG2% A 18 PHE HBy 1.0 . 3.50 318 255 A 15 ILE H A 14 VAL HGy% 1.0 . 3.96 319 256 A 14 VAL HB A 17 TYR H 1.0 . 4.78 320 257 A 17 TYR H A 14 VAL HGx% 1.0 . 4.78 321 258 A 17 TYR H A 14 VAL HGy% 1.0 . 4.78 322 259 A 21 LEU H A 18 PHE HBx 1.0 . 4.50 323 259 A 18 PHE HBy A 21 LEU H 1.0 . 4.50 324 260 A 6 THR HA A 9 HIS HBy 1.0 . 4.91 325 261 A 6 THR HA A 9 HIS HBx 1.0 . 4.91 326 262 A 11 ILE HA A 14 VAL HB 1.0 . 3.60 327 263 A 5 GLN HA A 8 LEU HBx 1.0 . 3.73 328 263 A 8 LEU HBy A 5 GLN HA 1.0 . 3.73 329 264 A 22 ILE HD1% A 22 ILE HA 1.0 . 3.59 330 265 A 22 ILE HG2% A 22 ILE HA 1.0 . 3.12 331 266 A 26 TYR H A 22 ILE HA 1.0 . 4.17 332 267 A 18 PHE H A 14 VAL HA 1.0 . 4.17 333 268 A 14 VAL H A 13 VAL HGx% 1.0 . 3.35 334 268 A 13 VAL HGy% A 14 VAL H 1.0 . 3.35 335 269 A 13 VAL HB A 14 VAL HA 1.0 . 4.48 336 270 A 14 VAL HA A 13 VAL HGx% 1.0 . 3.60 337 270 A 13 VAL HGy% A 14 VAL HA 1.0 . 3.60 338 271 A 25 THR H A 27 ASN H 1.0 . 4.54 339 272 A 9 HIS HA A 12 GLN HGx 1.0 . 4.86 340 272 A 9 HIS HA A 12 GLN HGy 1.0 . 4.86 341 273 A 7 VAL HB A 4 LEU HBx 1.0 . 4.20 342 273 A 7 VAL HB A 4 LEU HBy 1.0 . 4.20 343 274 A 15 ILE HB A 14 VAL HB 1.0 . 4.34 344 275 A 23 PHE H A 21 LEU H 1.0 . 4.75 345 276 A 20 MET H A 22 ILE H 1.0 . 4.62 346 277 A 18 PHE H A 20 MET H 1.0 . 4.17 347 278 A 14 VAL H A 12 GLN H 1.0 . 4.54 348 279 A 15 ILE H A 17 TYR H 1.0 . 4.64 349 280 A 17 TYR H A 19 LEU H 1.0 . 4.50 350 281 A 24 MET H A 22 ILE H 1.0 . 4.81 351 282 A 2 HIS HBx A 5 GLN HBx 1.0 . 4.28 352 282 A 2 HIS HBy A 5 GLN HBx 1.0 . 4.28 353 282 A 5 GLN HBy A 2 HIS HBx 1.0 . 4.28 354 282 A 5 GLN HBy A 2 HIS HBy 1.0 . 4.28 355 283 A 3 LEU H A 3 LEU HDy% 1.0 . 3.70 356 283 A 3 LEU H A 3 LEU HDx% 1.0 . 3.70 357 284 A 3 LEU HA A 7 VAL HGy% 1.0 . 5.79 358 284 A 3 LEU HA A 7 VAL HGx% 1.0 . 5.79 359 285 A 3 LEU HDx% A 5 GLN HBx 1.0 . 4.57 360 285 A 3 LEU HDy% A 5 GLN HBx 1.0 . 4.57 361 285 A 5 GLN HBy A 3 LEU HDy% 1.0 . 4.57 362 285 A 5 GLN HBy A 3 LEU HDx% 1.0 . 4.57 363 286 A 6 THR H A 3 LEU HDy% 1.0 . 5.92 364 286 A 6 THR H A 3 LEU HDx% 1.0 . 5.92 365 287 A 4 LEU H A 4 LEU HDy% 1.0 . 3.05 366 287 A 4 LEU H A 4 LEU HDx% 1.0 . 3.05 367 288 A 4 LEU HA A 4 LEU HDy% 1.0 . 2.82 368 288 A 4 LEU HA A 4 LEU HDx% 1.0 . 2.82 369 289 A 4 LEU HA A 7 VAL HGy% 1.0 . 5.09 370 289 A 4 LEU HA A 7 VAL HGx% 1.0 . 5.09 371 290 A 4 LEU HBx A 7 VAL HGy% 1.0 . 5.08 372 290 A 4 LEU HBy A 7 VAL HGy% 1.0 . 5.08 373 290 A 7 VAL HGx% A 4 LEU HBx 1.0 . 5.08 374 290 A 4 LEU HBy A 7 VAL HGx% 1.0 . 5.08 375 291 A 5 GLN H A 5 GLN HGx 1.0 . 4.16 376 291 A 5 GLN H A 5 GLN HGy 1.0 . 4.16 377 292 A 5 GLN HBy A 7 VAL HGy% 1.0 . 5.54 378 292 A 7 VAL HGx% A 5 GLN HBx 1.0 . 5.54 379 292 A 5 GLN HBy A 7 VAL HGx% 1.0 . 5.54 380 292 A 5 GLN HBx A 7 VAL HGy% 1.0 . 5.54 381 293 A 6 THR HB A 7 VAL HGy% 1.0 . 5.62 382 293 A 6 THR HB A 7 VAL HGx% 1.0 . 5.62 383 294 A 6 THR HG2% A 7 VAL HGy% 1.0 . 5.19 384 294 A 6 THR HG2% A 7 VAL HGx% 1.0 . 5.19 385 295 A 6 THR HG2% A 10 ILE HG1x 1.0 . 4.70 386 295 A 6 THR HG2% A 10 ILE HG1y 1.0 . 4.70 387 296 A 7 VAL H A 7 VAL HGy% 1.0 . 3.04 388 296 A 7 VAL H A 7 VAL HGx% 1.0 . 3.04 389 297 A 7 VAL HA A 7 VAL HGy% 1.0 . 2.49 390 297 A 7 VAL HA A 7 VAL HGx% 1.0 . 2.49 391 298 A 8 LEU H A 7 VAL HGy% 1.0 . 3.42 392 298 A 8 LEU H A 7 VAL HGx% 1.0 . 3.42 393 299 A 10 ILE H A 7 VAL HGy% 1.0 . 5.52 394 299 A 10 ILE H A 7 VAL HGx% 1.0 . 5.52 395 300 A 10 ILE HB A 7 VAL HGy% 1.0 . 5.50 396 300 A 10 ILE HB A 7 VAL HGx% 1.0 . 5.50 397 301 A 9 HIS HA A 12 GLN HBx 1.0 . 3.91 398 301 A 9 HIS HA A 12 GLN HBy 1.0 . 3.91 399 302 A 10 ILE H A 10 ILE HG1x 1.0 . 3.61 400 302 A 10 ILE H A 10 ILE HG1y 1.0 . 3.61 401 303 A 10 ILE HA A 10 ILE HG1x 1.0 . 3.59 402 303 A 10 ILE HA A 10 ILE HG1y 1.0 . 3.59 403 304 A 11 ILE H A 11 ILE HG1x 1.0 . 3.58 404 304 A 11 ILE H A 11 ILE HG1y 1.0 . 3.58 405 305 A 11 ILE HA A 11 ILE HG1x 1.0 . 3.63 406 305 A 11 ILE HA A 11 ILE HG1y 1.0 . 3.63 407 306 A 11 ILE HB A 14 VAL HGy% 1.0 . 5.49 408 306 A 11 ILE HB A 14 VAL HGx% 1.0 . 5.49 409 307 A 11 ILE HG2% A 11 ILE HG1x 1.0 . 3.39 410 307 A 11 ILE HG2% A 11 ILE HG1y 1.0 . 3.39 411 308 A 12 GLN H A 11 ILE HG1x 1.0 . 5.44 412 308 A 12 GLN H A 11 ILE HG1y 1.0 . 5.44 413 309 A 12 GLN H A 12 GLN HBx 1.0 . 3.44 414 309 A 12 GLN H A 12 GLN HBy 1.0 . 3.44 415 310 A 12 GLN HE2y A 12 GLN HBx 1.0 . 6.98 416 311 A 12 GLN HE2x A 12 GLN HBx 1.0 . 6.98 417 312 A 13 VAL H A 12 GLN HBx 1.0 . 3.78 418 312 A 13 VAL H A 12 GLN HBy 1.0 . 3.78 419 313 A 13 VAL HB A 14 VAL HGy% 1.0 . 3.78 420 313 A 13 VAL HB A 14 VAL HGx% 1.0 . 3.78 421 314 A 14 VAL H A 14 VAL HGy% 1.0 . 2.84 422 314 A 14 VAL H A 14 VAL HGx% 1.0 . 2.84 423 315 A 14 VAL HA A 14 VAL HGy% 1.0 . 2.51 424 315 A 14 VAL HA A 14 VAL HGx% 1.0 . 2.51 425 316 A 14 VAL HB A 15 ILE HG1x 1.0 . 5.27 426 316 A 14 VAL HB A 15 ILE HG1y 1.0 . 5.27 427 317 A 15 ILE H A 14 VAL HGy% 1.0 . 3.32 428 317 A 15 ILE H A 14 VAL HGx% 1.0 . 3.32 429 318 A 17 TYR H A 14 VAL HGy% 1.0 . 4.31 430 318 A 17 TYR H A 14 VAL HGx% 1.0 . 4.31 431 319 A 15 ILE H A 15 ILE HG1x 1.0 . 3.67 432 319 A 15 ILE H A 15 ILE HG1y 1.0 . 3.67 433 320 A 15 ILE HG2% A 15 ILE HG1x 1.0 . 3.18 434 320 A 15 ILE HG2% A 15 ILE HG1y 1.0 . 3.18 435 321 A 21 LEU HA A 22 ILE HG1x 1.0 . 4.78 436 321 A 21 LEU HA A 22 ILE HG1y 1.0 . 4.78 437 322 A 21 LEU HA A 24 MET HBy 1.0 . 4.13 438 322 A 21 LEU HA A 24 MET HBx 1.0 . 4.13 439 323 A 21 LEU HBy A 22 ILE HG1x 1.0 . 4.37 440 323 A 21 LEU HBx A 22 ILE HG1x 1.0 . 4.37 441 323 A 22 ILE HG1y A 21 LEU HBx 1.0 . 4.37 442 323 A 21 LEU HBy A 22 ILE HG1y 1.0 . 4.37 443 324 A 22 ILE H A 22 ILE HG1x 1.0 . 4.39 444 324 A 22 ILE H A 22 ILE HG1y 1.0 . 4.39 445 325 A 22 ILE HA A 22 ILE HG1x 1.0 . 3.96 446 325 A 22 ILE HA A 22 ILE HG1y 1.0 . 3.96 447 326 A 24 MET HA A 27 ASN HBx 1.0 . 5.59 448 326 A 24 MET HA A 27 ASN HBy 1.0 . 5.59 449 327 A 27 ASN H A 26 TYR HBy 1.0 . 4.00 450 327 A 27 ASN H A 26 TYR HBx 1.0 . 4.00 451 328 A 27 ASN H A 27 ASN HD2y 1.0 . 4.29 452 328 A 27 ASN H A 27 ASN HD2x 1.0 . 4.29 453 329 A 28 LYS HBx A 28 LYS HDx 1.0 . 3.63 454 329 A 28 LYS HBy A 28 LYS HDx 1.0 . 3.63 455 329 A 28 LYS HDy A 28 LYS HBx 1.0 . 3.63 456 329 A 28 LYS HDy A 28 LYS HBy 1.0 . 3.63 stop_ save_