data_nef_c16477_2knu save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 THR start . . 2 A 2 GLY middle . false 3 A 3 HIS middle . . 4 A 4 ARG middle . . 5 A 5 MET middle . . 6 A 6 ALA middle . . 7 A 7 TRP middle . . 8 A 8 ASP middle . . 9 A 9 MET middle . . 10 A 10 MET middle . . 11 A 11 MET middle . . 12 A 12 ASN middle . . 13 A 13 TRP middle . . 14 A 14 SER middle . . 15 A 15 PRO middle . false 16 A 16 THR middle . . 17 A 17 ALA middle . . 18 A 18 ALA middle . . 19 A 19 LEU middle . . 20 A 20 VAL middle . . 21 A 21 VAL middle . . 22 A 22 ALA middle . . 23 A 23 GLN middle . . 24 A 24 LEU middle . . 25 A 25 LEU middle . . 26 A 26 ARG middle . . 27 A 27 ILE middle . . 28 A 28 PRO middle . false 29 A 29 GLN 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 THR HB H 1 4.185 0.000 A 1 THR HG2% H 1 1.316 0.000 A 2 GLY H H 1 8.221 0.000 A 2 GLY HAx H 1 3.885 0.000 A 2 GLY HAy H 1 3.980 0.000 A 3 HIS H H 1 7.889 0.000 A 3 HIS HA H 1 4.671 0.000 A 3 HIS HBx H 1 3.092 0.000 A 3 HIS HBy H 1 3.274 0.000 A 4 ARG H H 1 7.955 0.000 A 4 ARG HA H 1 4.295 0.000 A 4 ARG HBx H 1 1.763 0.000 A 4 ARG HBy H 1 1.854 0.000 A 4 ARG HD2 H 1 3.113 0.000 A 4 ARG HD3 H 1 3.113 0.000 A 4 ARG HE H 1 6.904 0.000 A 4 ARG HG2 H 1 1.642 0.000 A 4 ARG HG3 H 1 1.642 0.000 A 5 MET H H 1 7.900 0.000 A 5 MET HA H 1 4.432 0.000 A 5 MET HB2 H 1 2.479 0.000 A 5 MET HB3 H 1 2.479 0.000 A 5 MET HG2 H 1 1.630 0.000 A 5 MET HG3 H 1 1.630 0.000 A 6 ALA H H 1 7.534 0.000 A 6 ALA HA H 1 4.131 0.000 A 6 ALA HB% H 1 1.377 0.000 A 7 TRP H H 1 7.157 0.000 A 7 TRP HA H 1 4.526 0.000 A 7 TRP HB2 H 1 3.310 0.000 A 7 TRP HB3 H 1 3.310 0.000 A 7 TRP HD1 H 1 7.111 0.000 A 7 TRP HE1 H 1 9.147 0.000 A 7 TRP HE3 H 1 7.558 0.000 A 7 TRP HH2 H 1 7.205 0.000 A 7 TRP HZ2 H 1 7.411 0.000 A 7 TRP HZ3 H 1 7.131 0.000 A 8 ASP H H 1 7.651 0.000 A 8 ASP HA H 1 4.514 0.000 A 8 ASP HBx H 1 2.709 0.000 A 8 ASP HBy H 1 2.791 0.000 A 9 MET H H 1 7.768 0.000 A 9 MET HA H 1 4.350 0.000 A 9 MET HB2 H 1 2.381 0.000 A 9 MET HB3 H 1 2.381 0.000 A 9 MET HG2 H 1 1.943 0.000 A 9 MET HG3 H 1 1.943 0.000 A 10 MET H H 1 7.728 0.000 A 10 MET HA H 1 4.268 0.000 A 10 MET HB2 H 1 2.571 0.000 A 10 MET HB3 H 1 2.571 0.000 A 10 MET HG2 H 1 2.107 0.000 A 10 MET HG3 H 1 2.107 0.000 A 11 MET H H 1 7.856 0.000 A 11 MET HA H 1 4.295 0.000 A 11 MET HB2 H 1 2.080 0.000 A 11 MET HB3 H 1 2.080 0.000 A 11 MET HGx H 1 2.490 0.000 A 11 MET HGy H 1 2.600 0.000 A 12 ASN H H 1 7.757 0.000 A 12 ASN HA H 1 4.695 0.000 A 12 ASN HB2 H 1 2.736 0.000 A 12 ASN HB3 H 1 2.736 0.000 A 12 ASN HD21 H 1 6.962 0.000 A 12 ASN HD22 H 1 6.231 0.000 A 13 TRP H H 1 7.729 0.000 A 13 TRP HA H 1 4.514 0.000 A 13 TRP HB2 H 1 3.283 0.000 A 13 TRP HB3 H 1 3.283 0.000 A 13 TRP HD1 H 1 7.166 0.000 A 13 TRP HE1 H 1 8.988 0.000 A 13 TRP HE3 H 1 7.513 0.000 A 13 TRP HH2 H 1 7.156 0.000 A 13 TRP HZ2 H 1 7.371 0.000 A 13 TRP HZ3 H 1 7.079 0.000 A 14 SER H H 1 6.898 0.000 A 14 SER HA H 1 4.541 0.000 A 14 SER HBx H 1 3.748 0.000 A 14 SER HBy H 1 3.912 0.000 A 15 PRO HA H 1 4.218 0.000 A 15 PRO HB2 H 1 2.331 0.000 A 15 PRO HB3 H 1 2.331 0.000 A 15 PRO HDx H 1 3.551 0.000 A 15 PRO HDy H 1 3.659 0.000 A 15 PRO HGx H 1 1.975 0.000 A 15 PRO HGy H 1 2.065 0.000 A 16 THR H H 1 7.284 0.000 A 16 THR HA H 1 4.022 0.000 A 16 THR HB H 1 4.212 0.000 A 16 THR HG2% H 1 1.205 0.000 A 17 ALA H H 1 7.510 0.000 A 17 ALA HA H 1 4.008 0.000 A 17 ALA HB% H 1 1.370 0.000 A 18 ALA H H 1 7.415 0.000 A 18 ALA HA H 1 4.027 0.000 A 18 ALA HB% H 1 1.478 0.000 A 19 LEU H H 1 7.432 0.000 A 19 LEU HA H 1 4.159 0.000 A 19 LEU HB2 H 1 1.889 0.000 A 19 LEU HB3 H 1 1.889 0.000 A 19 LEU HDx% H 1 0.911 0.000 A 19 LEU HDy% H 1 0.851 0.000 A 19 LEU HG H 1 1.588 0.000 A 20 VAL H H 1 7.599 0.000 A 20 VAL HA H 1 3.666 0.000 A 20 VAL HB H 1 2.217 0.000 A 20 VAL HGx% H 1 0.931 0.000 A 20 VAL HGy% H 1 0.986 0.000 A 21 VAL H H 1 8.112 0.000 A 21 VAL HA H 1 3.557 0.000 A 21 VAL HB H 1 2.080 0.000 A 21 VAL HGx% H 1 0.951 0.000 A 21 VAL HGy% H 1 1.051 0.000 A 22 ALA H H 1 7.830 0.000 A 22 ALA HA H 1 4.013 0.000 A 22 ALA HB% H 1 1.520 0.000 A 23 GLN H H 1 7.585 0.000 A 23 GLN HA H 1 4.131 0.000 A 23 GLN HB2 H 1 2.326 0.000 A 23 GLN HB3 H 1 2.326 0.000 A 23 GLN HE21 H 1 7.022 0.000 A 23 GLN HE22 H 1 6.056 0.000 A 23 GLN HGx H 1 2.408 0.000 A 23 GLN HGy H 1 2.600 0.000 A 24 LEU H H 1 8.312 0.000 A 24 LEU HA H 1 4.159 0.000 A 24 LEU HBx H 1 1.533 0.000 A 24 LEU HBy H 1 1.946 0.000 A 24 LEU HD1% H 1 0.839 0.000 A 24 LEU HD2% H 1 0.839 0.000 A 24 LEU HG H 1 1.856 0.000 A 25 LEU H H 1 8.178 0.000 A 25 LEU HA H 1 4.213 0.000 A 25 LEU HB2 H 1 1.779 0.000 A 25 LEU HB3 H 1 1.779 0.000 A 25 LEU HD1% H 1 0.839 0.000 A 25 LEU HD2% H 1 0.839 0.000 A 25 LEU HG H 1 1.560 0.000 A 26 ARG H H 1 7.453 0.000 A 26 ARG HA H 1 4.159 0.000 A 26 ARG HB2 H 1 1.946 0.000 A 26 ARG HB3 H 1 1.946 0.000 A 26 ARG HD2 H 1 3.201 0.000 A 26 ARG HD3 H 1 3.201 0.000 A 26 ARG HE H 1 6.884 0.000 A 26 ARG HGx H 1 1.672 0.000 A 26 ARG HGy H 1 1.756 0.000 A 27 ILE H H 1 7.527 0.000 A 27 ILE HA H 1 4.350 0.000 A 27 ILE HB H 1 1.916 0.000 A 27 ILE HD1% H 1 0.885 0.000 A 27 ILE HG12 H 1 1.175 0.000 A 27 ILE HG13 H 1 1.175 0.000 A 27 ILE HG2% H 1 0.977 0.000 A 28 PRO HA H 1 4.388 0.000 A 28 PRO HB2 H 1 2.194 0.000 A 28 PRO HB3 H 1 2.194 0.000 A 28 PRO HDx H 1 3.640 0.000 A 28 PRO HDy H 1 3.949 0.000 A 28 PRO HGx H 1 1.975 0.000 A 28 PRO HGy H 1 2.056 0.000 A 29 GLN H H 1 7.486 0.000 A 29 GLN HA H 1 4.405 0.000 A 29 GLN HBx H 1 1.956 0.000 A 29 GLN HBy H 1 2.217 0.000 A 29 GLN HE21 H 1 7.094 0.000 A 29 GLN HE22 H 1 6.071 0.000 A 29 GLN HG2 H 1 2.381 0.000 A 29 GLN HG3 H 1 2.381 0.000 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 23 GLN H A 25 LEU H 1.0 . 4.37 2 2 A 25 LEU H A 26 ARG H 1.0 . 3.68 3 3 A 19 LEU H A 21 VAL H 1.0 . 4.43 4 4 A 20 VAL H A 22 ALA H 1.0 . 3.69 5 5 A 19 LEU H A 22 ALA H 1.0 . 4.79 6 6 A 10 MET H A 11 MET H 1.0 . 3.69 7 7 A 2 GLY H A 2 GLY HAy 1.0 . 3.00 8 8 A 2 GLY H A 2 GLY HAx 1.0 . 3.12 9 9 A 25 LEU H A 22 ALA HA 1.0 . 4.67 10 10 A 22 ALA HA A 24 LEU H 1.0 . 5.33 11 11 A 21 VAL H A 24 LEU HBx 1.0 . 4.07 12 12 A 25 LEU H A 24 LEU HBy 1.0 . 3.79 13 13 A 4 ARG H A 4 ARG HG3 1.0 . 3.96 14 14 A 4 ARG H A 4 ARG HBx 1.0 . 3.69 15 15 A 4 ARG H A 4 ARG HBy 1.0 . 3.77 16 16 A 4 ARG H A 3 HIS HBx 1.0 . 4.31 17 17 A 4 ARG H A 4 ARG HA 1.0 . 3.70 18 18 A 3 HIS H A 3 HIS HA 1.0 . 4.11 19 19 A 5 MET H A 5 MET HA 1.0 . 3.99 20 20 A 2 GLY HAy A 3 HIS H 1.0 . 3.57 21 21 A 2 GLY HAx A 3 HIS H 1.0 . 3.83 22 22 A 3 HIS HBx A 3 HIS H 1.0 . 4.13 23 23 A 11 MET H A 11 MET HGy 1.0 . 4.27 24 24 A 11 MET H A 11 MET HGx 1.0 . 4.22 25 25 A 5 MET H A 5 MET HB3 1.0 . 4.08 26 26 A 9 MET H A 9 MET HB3 1.0 . 3.68 27 27 A 13 TRP H A 13 TRP HB3 1.0 . 3.38 28 28 A 9 MET H A 9 MET HA 1.0 . 3.47 29 29 A 22 ALA H A 19 LEU HA 1.0 . 3.81 30 30 A 10 MET H A 10 MET HA 1.0 . 3.69 31 31 A 13 TRP H A 12 ASN HA 1.0 . 4.00 32 32 A 13 TRP H A 14 SER H 1.0 . 4.41 33 33 A 13 TRP H A 13 TRP HD1 1.0 . 4.18 34 34 A 7 TRP H A 8 ASP H 1.0 . 4.20 35 35 A 23 GLN H A 21 VAL H 1.0 . 3.81 36 36 A 5 MET H A 6 ALA H 1.0 . 4.52 37 37 A 16 THR H A 17 ALA H 1.0 . 3.59 38 38 A 19 LEU H A 20 VAL H 1.0 . 3.07 39 39 A 5 MET HA A 6 ALA H 1.0 . 3.51 40 40 A 29 GLN H A 29 GLN HA 1.0 . 3.02 41 41 A 27 ILE H A 27 ILE HA 1.0 . 3.82 42 42 A 17 ALA H A 17 ALA HA 1.0 . 3.15 43 43 A 18 ALA H A 18 ALA HA 1.0 . 3.36 44 44 A 26 ARG H A 26 ARG HA 1.0 . 3.14 45 45 A 6 ALA H A 6 ALA HA 1.0 . 3.45 46 46 A 20 VAL H A 20 VAL HA 1.0 . 3.40 47 47 A 7 TRP HB3 A 7 TRP HE3 1.0 . 4.30 48 48 A 8 ASP H A 7 TRP HB3 1.0 . 4.14 49 49 A 8 ASP H A 8 ASP HBx 1.0 . 3.92 50 50 A 29 GLN H A 29 GLN HBy 1.0 . 3.82 51 51 A 23 GLN H A 22 ALA HB% 1.0 . 3.39 52 52 A 6 ALA H A 6 ALA HB% 1.0 . 3.30 53 53 A 27 ILE H A 27 ILE HG2% 1.0 . 4.86 54 54 A 17 ALA H A 17 ALA HB% 1.0 . 3.17 55 55 A 27 ILE H A 26 ARG HGx 1.0 . 3.91 56 56 A 27 ILE H A 27 ILE HD1% 1.0 . 3.92 57 57 A 26 ARG H A 26 ARG HB3 1.0 . 3.26 58 58 A 16 THR H A 15 PRO HA 1.0 . 3.57 59 59 A 16 THR H A 16 THR HA 1.0 . 3.21 60 60 A 16 THR H A 16 THR HG2% 1.0 . 4.76 61 61 A 7 TRP HZ2 A 7 TRP HE1 1.0 . 3.85 62 62 A 13 TRP HD1 A 13 TRP HE1 1.0 . 3.15 63 63 A 7 TRP HE1 A 7 TRP HD1 1.0 . 3.26 64 64 A 20 VAL H A 18 ALA H 1.0 . 3.55 65 65 A 7 TRP H A 6 ALA H 1.0 . 3.72 66 66 A 13 TRP HZ3 A 13 TRP HZ2 1.0 . 4.21 67 67 A 14 SER H A 13 TRP HD1 1.0 . 4.72 68 68 A 13 TRP HB3 A 14 SER H 1.0 . 4.17 69 69 A 26 ARG HD3 A 26 ARG HE 1.0 . 3.39 70 70 A 4 ARG HD3 A 4 ARG HE 1.0 . 3.82 71 71 A 23 GLN HGy A 23 GLN HE21 1.0 . 4.41 72 72 A 26 ARG HB3 A 26 ARG HE 1.0 . 4.90 73 73 A 26 ARG HE A 26 ARG HGy 1.0 . 4.26 74 74 A 4 ARG HG3 A 4 ARG HE 1.0 . 4.06 75 75 A 12 ASN HD22 A 12 ASN HD21 1.0 . 2.82 76 76 A 23 GLN HE21 A 23 GLN HE22 1.0 . 2.84 77 77 A 12 ASN HD22 A 12 ASN HB3 1.0 . 4.11 78 78 A 23 GLN HGy A 23 GLN HE22 1.0 . 4.70 79 79 A 21 VAL H A 21 VAL HGx% 1.0 . 3.56 80 80 A 10 MET HA A 10 MET HG3 1.0 . 3.61 81 81 A 27 ILE HA A 27 ILE HG2% 1.0 . 4.10 82 82 A 14 SER H A 14 SER HA 1.0 . 3.08 83 83 A 12 ASN HA A 12 ASN H 1.0 . 3.23 84 84 A 13 TRP H A 13 TRP HA 1.0 . 3.15 85 85 A 8 ASP H A 8 ASP HA 1.0 . 3.02 86 86 A 4 ARG HA A 5 MET H 1.0 . 4.04 87 87 A 13 TRP HB3 A 13 TRP HE3 1.0 . 4.18 88 88 A 7 TRP HB3 A 7 TRP HD1 1.0 . 3.37 89 89 A 13 TRP HB3 A 13 TRP HA 1.0 . 2.70 90 90 A 23 GLN HGy A 23 GLN HA 1.0 . 3.70 91 91 A 28 PRO HDx A 28 PRO HGx 1.0 . 3.24 92 92 A 15 PRO HDx A 15 PRO HGx 1.0 . 2.88 93 93 A 13 TRP HE1 A 13 TRP HZ2 1.0 . 3.74 94 94 A 14 SER H A 13 TRP HE3 1.0 . 4.60 95 95 A 11 MET H A 11 MET HA 1.0 . 3.34 96 96 A 22 ALA H A 22 ALA HA 1.0 . 3.20 97 97 A 12 ASN H A 11 MET HB3 1.0 . 3.81 98 98 A 10 MET H A 10 MET HG3 1.0 . 3.51 99 99 A 8 ASP H A 8 ASP HBy 1.0 . 3.82 100 100 A 25 LEU H A 21 VAL HA 1.0 . 4.42 101 101 A 26 ARG H A 24 LEU H 1.0 . 5.21 102 102 A 21 VAL H A 24 LEU HG 1.0 . 4.71 103 103 A 4 ARG HBy A 5 MET H 1.0 . 3.99 104 104 A 4 ARG HBx A 5 MET H 1.0 . 4.20 105 105 A 4 ARG H A 3 HIS HBy 1.0 . 4.37 106 106 A 3 HIS H A 3 HIS HBy 1.0 . 4.23 107 107 A 22 ALA H A 24 LEU HD1% 1.0 . 4.94 108 108 A 10 MET H A 10 MET HB3 1.0 . 4.27 109 109 A 11 MET H A 8 ASP HA 1.0 . 4.46 110 110 A 25 LEU H A 27 ILE H 1.0 . 5.34 111 111 A 26 ARG H A 26 ARG HD3 1.0 . 4.82 112 112 A 5 MET HB3 A 6 ALA H 1.0 . 4.68 113 113 A 29 GLN H A 29 GLN HG3 1.0 . 4.48 114 114 A 8 ASP H A 5 MET HG3 1.0 . 5.37 115 115 A 5 MET HG3 A 7 TRP HH2 1.0 . 5.02 116 116 A 5 MET HG3 A 7 TRP HZ3 1.0 . 5.11 117 117 A 16 THR H A 15 PRO HB3 1.0 . 5.01 118 118 A 14 SER H A 14 SER HBy 1.0 . 5.50 119 119 A 14 SER H A 14 SER HBx 1.0 . 4.51 120 120 A 16 THR H A 15 PRO HDx 1.0 . 4.77 121 121 A 16 THR H A 15 PRO HDy 1.0 . 4.39 122 122 A 20 VAL HA A 23 GLN HE21 1.0 . 5.04 123 123 A 13 TRP HZ3 A 15 PRO HDx 1.0 . 5.37 124 124 A 23 GLN HE21 A 23 GLN HGx 1.0 . 4.62 125 125 A 23 GLN HE21 A 20 VAL HB 1.0 . 5.50 126 126 A 23 GLN HE21 A 23 GLN HB3 1.0 . 5.50 127 127 A 23 GLN HE22 A 23 GLN HGx 1.0 . 4.99 128 128 A 20 VAL HA A 23 GLN HE22 1.0 . 5.50 129 129 A 29 GLN HE22 A 29 GLN HE21 1.0 . 2.69 130 130 A 7 TRP HZ2 A 7 TRP HZ3 1.0 . 4.83 131 131 A 7 TRP HE1 A 7 TRP HH2 1.0 . 5.40 132 132 A 16 THR H A 14 SER HA 1.0 . 4.98 133 133 A 14 SER H A 12 ASN HD22 1.0 . 4.34 134 134 A 5 MET H A 7 TRP H 1.0 . 5.21 135 135 A 4 ARG H A 3 HIS HA 1.0 . 3.40 136 136 A 25 LEU H A 21 VAL HGx% 1.0 . 4.41 137 137 A 23 GLN HE21 A 19 LEU HDx% 1.0 . 5.50 138 138 A 2 GLY H A 3 HIS H 1.0 . 5.50 139 139 A 9 MET H A 8 ASP HA 1.0 . 4.31 140 140 A 10 MET H A 8 ASP H 1.0 . 4.18 141 141 A 17 ALA H A 16 THR HB 1.0 . 4.20 142 142 A 17 ALA H A 16 THR HG2% 1.0 . 5.23 143 143 A 26 ARG H A 26 ARG HGy 1.0 . 3.67 144 144 A 16 THR H A 14 SER HBx 1.0 . 4.99 145 145 A 13 TRP HE1 A 18 ALA HB% 1.0 . 5.50 146 146 A 7 TRP HB3 A 7 TRP HE1 1.0 . 5.47 147 147 A 23 GLN HE22 A 20 VAL HGy% 1.0 . 5.50 148 148 A 23 GLN HE22 A 19 LEU HDx% 1.0 . 5.50 149 149 A 8 ASP H A 7 TRP HD1 1.0 . 5.03 150 150 A 23 GLN HE21 A 19 LEU HG 1.0 . 5.40 151 151 A 23 GLN HE21 A 20 VAL HGy% 1.0 . 5.50 152 152 A 11 MET H A 9 MET H 1.0 . 4.23 153 153 A 23 GLN H A 22 ALA H 1.0 . 3.40 154 154 A 21 VAL H A 20 VAL H 1.0 . 3.07 155 155 A 24 LEU H A 24 LEU HA 1.0 . 3.09 156 156 A 25 LEU H A 25 LEU HA 1.0 . 3.40 157 157 A 21 VAL H A 19 LEU HA 1.0 . 4.96 158 158 A 21 VAL H A 18 ALA HA 1.0 . 3.48 159 159 A 24 LEU H A 20 VAL HA 1.0 . 4.38 160 160 A 24 LEU H A 21 VAL HA 1.0 . 3.64 161 161 A 21 VAL H A 20 VAL HA 1.0 . 3.98 162 162 A 24 LEU H A 24 LEU HBx 1.0 . 3.12 163 163 A 24 LEU H A 21 VAL HGy% 1.0 . 5.08 164 164 A 25 LEU H A 24 LEU HG 1.0 . 3.74 165 165 A 25 LEU H A 24 LEU HBx 1.0 . 3.55 166 166 A 21 VAL H A 21 VAL HGy% 1.0 . 3.25 167 167 A 22 ALA H A 18 ALA HA 1.0 . 3.09 168 168 A 22 ALA H A 20 VAL HA 1.0 . 5.22 169 169 A 22 ALA H A 21 VAL HA 1.0 . 3.89 170 170 A 22 ALA H A 20 VAL HB 1.0 . 4.54 171 171 A 11 MET H A 11 MET HB3 1.0 . 3.35 172 172 A 4 ARG HA A 6 ALA H 1.0 . 4.75 173 173 A 23 GLN H A 23 GLN HA 1.0 . 3.11 174 174 A 20 VAL H A 17 ALA HA 1.0 . 3.38 175 175 A 15 PRO HA A 13 TRP HZ2 1.0 . 4.93 176 176 A 19 LEU H A 19 LEU HA 1.0 . 3.07 177 177 A 13 TRP HE3 A 15 PRO HDy 1.0 . 4.59 178 178 A 13 TRP HE3 A 15 PRO HDx 1.0 . 4.57 179 179 A 23 GLN H A 20 VAL HA 1.0 . 3.24 180 180 A 23 GLN H A 21 VAL HA 1.0 . 4.48 181 181 A 23 GLN H A 23 GLN HGx 1.0 . 3.48 182 182 A 20 VAL H A 19 LEU HB3 1.0 . 3.65 183 183 A 23 GLN H A 26 ARG HGx 1.0 . 5.50 184 184 A 20 VAL H A 17 ALA HB% 1.0 . 4.22 185 185 A 7 TRP H A 7 TRP HA 1.0 . 3.18 186 186 A 7 TRP HD1 A 7 TRP HA 1.0 . 4.42 187 187 A 15 PRO HA A 13 TRP HH2 1.0 . 4.35 188 188 A 4 ARG HA A 7 TRP HD1 1.0 . 4.86 189 189 A 15 PRO HA A 13 TRP HZ3 1.0 . 4.59 190 190 A 13 TRP HZ3 A 15 PRO HDy 1.0 . 5.50 191 191 A 13 TRP HD1 A 12 ASN HB3 1.0 . 5.50 192 192 A 5 MET HB3 A 7 TRP HH2 1.0 . 4.77 193 193 A 29 GLN HG3 A 29 GLN HE21 1.0 . 5.36 194 194 A 15 PRO HB3 A 13 TRP HH2 1.0 . 4.68 195 195 A 13 TRP HZ3 A 15 PRO HB3 1.0 . 4.98 196 196 A 28 PRO HGx A 29 GLN HE21 1.0 . 3.99 197 197 A 13 TRP HD1 A 11 MET HB3 1.0 . 4.98 198 198 A 18 ALA HB% A 13 TRP HH2 1.0 . 5.50 199 199 A 7 TRP H A 6 ALA HB% 1.0 . 4.16 200 200 A 6 ALA HB% A 7 TRP HD1 1.0 . 4.49 201 201 A 5 MET HB3 A 7 TRP HZ2 1.0 . 4.13 202 202 A 13 TRP HZ2 A 15 PRO HB3 1.0 . 4.85 203 203 A 19 LEU H A 15 PRO HGx 1.0 . 4.82 204 204 A 19 LEU H A 19 LEU HB3 1.0 . 3.13 205 205 A 18 ALA H A 18 ALA HB% 1.0 . 2.96 206 206 A 18 ALA H A 17 ALA HB% 1.0 . 3.67 207 207 A 19 LEU H A 19 LEU HDx% 1.0 . 3.62 208 208 A 3 HIS HA A 7 TRP H 1.0 . 4.15 209 209 A 21 VAL H A 21 VAL HA 1.0 . 3.27 210 210 A 24 LEU H A 23 GLN HGy 1.0 . 4.46 211 211 A 24 LEU H A 23 GLN HGx 1.0 . 4.47 212 212 A 24 LEU H A 23 GLN HB3 1.0 . 3.96 213 213 A 24 LEU H A 20 VAL HB 1.0 . 4.20 214 214 A 21 VAL H A 20 VAL HB 1.0 . 3.11 215 215 A 24 LEU H A 24 LEU HBy 1.0 . 3.48 216 216 A 24 LEU H A 24 LEU HG 1.0 . 3.06 217 217 A 22 ALA H A 21 VAL HB 1.0 . 3.38 218 218 A 25 LEU H A 25 LEU HB3 1.0 . 4.28 219 219 A 21 VAL H A 17 ALA HB% 1.0 . 4.44 220 220 A 22 ALA H A 22 ALA HB% 1.0 . 2.71 221 221 A 22 ALA H A 18 ALA HB% 1.0 . 5.22 222 222 A 23 GLN H A 23 GLN HGy 1.0 . 3.41 223 223 A 23 GLN H A 23 GLN HB3 1.0 . 3.43 224 224 A 20 VAL H A 20 VAL HB 1.0 . 2.85 225 225 A 13 TRP HZ2 A 15 PRO HGy 1.0 . 4.96 226 226 A 24 LEU H A 20 VAL HGx% 1.0 . 4.45 227 227 A 25 LEU H A 24 LEU HD1% 1.0 . 3.83 228 228 A 22 ALA H A 21 VAL HGx% 1.0 . 3.99 229 229 A 22 ALA H A 21 VAL HGy% 1.0 . 4.07 230 230 A 20 VAL H A 21 VAL HGy% 1.0 . 4.26 231 231 A 20 VAL H A 19 LEU HDy% 1.0 . 4.42 232 232 A 19 LEU H A 19 LEU HDy% 1.0 . 4.05 233 233 A 20 VAL H A 18 ALA HB% 1.0 . 5.50 234 234 A 20 VAL H A 19 LEU HG 1.0 . 4.11 235 235 A 19 LEU H A 19 LEU HG 1.0 . 3.48 236 236 A 3 HIS HA A 6 ALA HB% 1.0 . 4.07 237 237 A 29 GLN HA A 25 LEU HG 1.0 . 3.94 238 238 A 4 ARG HG3 A 4 ARG HA 1.0 . 3.53 239 239 A 4 ARG HBx A 4 ARG HA 1.0 . 2.99 240 240 A 27 ILE HA A 27 ILE HG13 1.0 . 3.26 241 241 A 18 ALA HA A 21 VAL HGy% 1.0 . 3.16 242 242 A 17 ALA HA A 20 VAL HGy% 1.0 . 3.07 243 243 A 16 THR HA A 19 LEU HDy% 1.0 . 3.43 244 244 A 16 THR HA A 16 THR HG2% 1.0 . 2.69 245 245 A 16 THR HG2% A 16 THR HB 1.0 . 2.53 246 246 A 1 THR HG2% A 1 THR HB 1.0 . 3.19 247 247 A 6 ALA HA A 6 ALA HB% 1.0 . 2.59 248 248 A 17 ALA HA A 17 ALA HB% 1.0 . 2.49 249 249 A 28 PRO HDx A 27 ILE HG13 1.0 . 4.66 250 250 A 15 PRO HA A 18 ALA HB% 1.0 . 3.64 251 251 A 24 LEU HBx A 24 LEU HA 1.0 . 2.99 252 252 A 26 ARG HA A 26 ARG HGy 1.0 . 3.54 253 253 A 4 ARG HBy A 4 ARG HA 1.0 . 2.84 254 254 A 14 SER HA A 15 PRO HGx 1.0 . 4.58 255 255 A 28 PRO HGy A 28 PRO HA 1.0 . 3.86 256 256 A 11 MET HA A 11 MET HB3 1.0 . 2.60 257 257 A 18 ALA HA A 18 ALA HB% 1.0 . 2.46 258 258 A 22 ALA HA A 22 ALA HB% 1.0 . 2.47 259 259 A 22 ALA HA A 26 ARG HGx 1.0 . 3.97 260 260 A 28 PRO HGx A 28 PRO HDy 1.0 . 2.92 261 261 A 6 ALA HA A 10 MET HG3 1.0 . 4.24 262 262 A 28 PRO HGy A 28 PRO HDy 1.0 . 3.79 263 263 A 17 ALA HA A 20 VAL HB 1.0 . 3.11 264 264 A 23 GLN HA A 23 GLN HB3 1.0 . 3.15 265 265 A 23 GLN HA A 23 GLN HGx 1.0 . 3.51 266 266 A 15 PRO HA A 15 PRO HB3 1.0 . 2.68 267 267 A 9 MET HB3 A 9 MET HA 1.0 . 3.01 268 268 A 9 MET HB3 A 8 ASP HA 1.0 . 5.11 269 269 A 5 MET HA A 5 MET HB3 1.0 . 3.16 270 270 A 9 MET HA A 9 MET HG3 1.0 . 3.12 271 271 A 20 VAL HA A 20 VAL HGx% 1.0 . 2.77 272 272 A 15 PRO HDx A 18 ALA HB% 1.0 . 4.83 273 273 A 24 LEU HBy A 21 VAL HA 1.0 . 3.59 274 274 A 20 VAL HA A 23 GLN HGy 1.0 . 3.98 275 275 A 20 VAL HA A 23 GLN HGx 1.0 . 3.96 276 276 A 15 PRO HB3 A 15 PRO HDy 1.0 . 4.02 277 277 A 4 ARG HBy A 4 ARG HD3 1.0 . 3.48 278 278 A 4 ARG HBx A 4 ARG HD3 1.0 . 3.40 279 279 A 26 ARG HGx A 26 ARG HD3 1.0 . 2.98 280 280 A 17 ALA HB% A 20 VAL HB 1.0 . 4.03 281 281 A 24 LEU HBx A 24 LEU HBy 1.0 . 2.76 282 282 A 20 VAL HB A 21 VAL HGy% 1.0 . 3.78 283 283 A 20 VAL HB A 20 VAL HGx% 1.0 . 2.67 284 284 A 21 VAL HGy% A 21 VAL HB 1.0 . 2.91 285 285 A 26 ARG HGx A 27 ILE HD1% 1.0 . 2.99 286 286 A 17 ALA HB% A 20 VAL HGy% 1.0 . 5.01 287 287 A 27 ILE HD1% A 27 ILE HG13 1.0 . 2.82 288 288 A 24 LEU HD1% A 21 VAL HGy% 1.0 . 3.81 289 289 A 14 SER HA A 14 SER HBx 1.0 . 3.67 290 290 A 26 ARG HA A 26 ARG HD3 1.0 . 4.27 291 291 A 15 PRO HA A 15 PRO HDx 1.0 . 4.60 292 292 A 28 PRO HDx A 28 PRO HDy 1.0 . 2.81 293 293 A 15 PRO HDx A 14 SER HBy 1.0 . 4.15 294 294 A 15 PRO HDx A 15 PRO HDy 1.0 . 2.91 295 295 A 12 ASN HA A 12 ASN HB3 1.0 . 2.89 296 296 A 8 ASP HBx A 8 ASP HA 1.0 . 2.80 297 297 A 11 MET HGy A 7 TRP HA 1.0 . 4.22 298 298 A 23 GLN HGy A 23 GLN HB3 1.0 . 3.13 299 299 A 11 MET HGy A 11 MET HB3 1.0 . 3.63 300 300 A 15 PRO HGx A 15 PRO HB3 1.0 . 2.44 301 301 A 15 PRO HB3 A 18 ALA HB% 1.0 . 5.43 302 302 A 4 ARG HBy A 5 MET HB3 1.0 . 5.12 303 303 A 4 ARG HA A 3 HIS HA 1.0 . 5.47 304 304 A 16 THR HA A 14 SER HA 1.0 . 5.23 305 305 A 2 GLY HAx A 3 HIS HA 1.0 . 5.45 306 306 A 14 SER HA A 14 SER HBy 1.0 . 2.88 307 307 A 27 ILE HA A 28 PRO HDy 1.0 . 3.00 308 308 A 14 SER HA A 15 PRO HDy 1.0 . 2.93 309 309 A 14 SER HA A 15 PRO HDx 1.0 . 3.02 310 310 A 3 HIS HA A 3 HIS HBy 1.0 . 2.69 311 311 A 3 HIS HBx A 3 HIS HA 1.0 . 2.79 312 312 A 4 ARG HA A 4 ARG HD3 1.0 . 3.85 313 313 A 4 ARG HA A 3 HIS HBy 1.0 . 3.88 314 314 A 8 ASP HA A 8 ASP HBy 1.0 . 3.01 315 315 A 10 MET HA A 10 MET HB3 1.0 . 3.87 316 316 A 11 MET HGx A 11 MET HA 1.0 . 3.54 317 317 A 29 GLN HA A 29 GLN HG3 1.0 . 3.76 318 318 A 11 MET HGx A 7 TRP HA 1.0 . 4.29 319 319 A 12 ASN HA A 15 PRO HGx 1.0 . 3.93 320 320 A 28 PRO HA A 28 PRO HB3 1.0 . 2.62 321 321 A 29 GLN HA A 29 GLN HBx 1.0 . 3.20 322 322 A 5 MET HA A 5 MET HG3 1.0 . 3.03 323 323 A 24 LEU HBy A 24 LEU HA 1.0 . 3.50 324 324 A 15 PRO HA A 15 PRO HGx 1.0 . 3.85 325 325 A 26 ARG HA A 26 ARG HGx 1.0 . 4.81 326 326 A 6 ALA HB% A 7 TRP HA 1.0 . 4.10 327 327 A 16 THR HG2% A 14 SER HA 1.0 . 5.11 328 328 A 2 GLY HAx A 1 THR HG2% 1.0 . 5.10 329 329 A 27 ILE HA A 27 ILE HD1% 1.0 . 3.84 330 330 A 20 VAL HA A 20 VAL HGy% 1.0 . 3.23 331 331 A 21 VAL HA A 21 VAL HGy% 1.0 . 2.83 332 332 A 21 VAL HGx% A 21 VAL HA 1.0 . 3.04 333 333 A 24 LEU HBx A 21 VAL HA 1.0 . 3.39 334 334 A 7 TRP HB3 A 6 ALA HB% 1.0 . 4.48 335 335 A 21 VAL HA A 24 LEU HG 1.0 . 3.61 336 336 A 15 PRO HGx A 15 PRO HDy 1.0 . 3.23 337 337 A 21 VAL HA A 20 VAL HB 1.0 . 4.34 338 338 A 20 VAL HA A 20 VAL HB 1.0 . 3.40 339 339 A 15 PRO HDx A 15 PRO HB3 1.0 . 3.93 340 340 A 13 TRP HB3 A 11 MET HB3 1.0 . 4.37 341 341 A 26 ARG HB3 A 26 ARG HD3 1.0 . 2.66 342 342 A 26 ARG HD3 A 26 ARG HGy 1.0 . 3.02 343 343 A 4 ARG HG3 A 4 ARG HD3 1.0 . 2.72 344 344 A 8 ASP HBy A 5 MET HG3 1.0 . 4.93 345 345 A 8 ASP HBx A 5 MET HG3 1.0 . 4.88 346 346 A 24 LEU HBx A 23 GLN HGy 1.0 . 4.52 347 347 A 23 GLN HGy A 20 VAL HB 1.0 . 3.62 348 348 A 10 MET HG3 A 10 MET HB3 1.0 . 2.55 349 349 A 11 MET HGx A 11 MET HB3 1.0 . 3.16 350 350 A 11 MET HGy A 6 ALA HB% 1.0 . 4.64 351 351 A 5 MET HB3 A 5 MET HG3 1.0 . 2.69 352 352 A 6 ALA HB% A 10 MET HG3 1.0 . 3.57 353 353 A 27 ILE HG13 A 27 ILE HB 1.0 . 2.91 354 354 A 26 ARG HGx A 27 ILE HG13 1.0 . 3.08 355 355 A 20 VAL HB A 20 VAL HGy% 1.0 . 2.75 356 356 A 21 VAL HGx% A 21 VAL HB 1.0 . 2.55 357 357 A 19 LEU HG A 19 LEU HDy% 1.0 . 2.46 358 358 A 17 ALA HB% A 21 VAL HGy% 1.0 . 3.69 359 359 A 18 ALA HB% A 21 VAL HGy% 1.0 . 4.77 360 360 A 24 LEU HBx A 21 VAL HGy% 1.0 . 3.70 361 361 A 23 GLN HB3 A 20 VAL HGx% 1.0 . 4.93 362 362 A 23 GLN HGy A 20 VAL HGx% 1.0 . 4.70 363 363 A 14 SER HBy A 14 SER HBx 1.0 . 3.03 364 364 A 22 ALA H A 24 LEU H 1.0 . 4.23 365 365 A 23 GLN H A 24 LEU H 1.0 . 3.17 366 366 A 13 TRP HZ2 A 18 ALA HB% 1.0 . 4.81 367 367 A 20 VAL H A 20 VAL HGy% 1.0 . 2.85 368 368 A 4 ARG HG3 A 3 HIS HA 1.0 . 5.50 369 369 A 15 PRO HDx A 15 PRO HGy 1.0 . 2.85 370 370 A 25 LEU H A 24 LEU H 1.0 . 3.22 371 371 A 21 VAL H A 18 ALA HB% 1.0 . 5.19 372 372 A 21 VAL H A 21 VAL HB 1.0 . 3.01 373 373 A 21 VAL H A 24 LEU HD1% 1.0 . 4.46 374 374 A 13 TRP HZ3 A 13 TRP HE3 1.0 . 2.75 375 375 A 7 TRP HE3 A 7 TRP HZ3 1.0 . 2.60 376 376 A 21 VAL HA A 24 LEU HD1% 1.0 . 3.15 377 377 A 7 TRP HZ2 A 7 TRP HH2 1.0 . 2.47 378 378 A 24 LEU H A 21 VAL HB 1.0 . 5.43 379 379 A 21 VAL H A 22 ALA H 1.0 . 3.29 380 380 A 13 TRP HZ2 A 13 TRP HH2 1.0 . 2.48 381 381 A 27 ILE HA A 28 PRO HDx 1.0 . 3.05 382 382 A 12 ASN HA A 13 TRP HA 1.0 . 4.83 383 383 A 15 PRO HA A 14 SER HA 1.0 . 5.50 384 384 A 15 PRO HA A 15 PRO HDy 1.0 . 4.94 385 385 A 16 THR HA A 16 THR HB 1.0 . 3.61 stop_ save_