data_nef_c16943_2kya 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 MET start . . 2 A 2 ASN middle . . 3 A 3 LYS middle . . 4 A 4 LYS middle . . 5 A 5 ASN middle . . 6 A 6 ILE middle . . 7 A 7 LEU middle . . 8 A 8 PRO middle . false 9 A 9 GLN middle . . 10 A 10 GLN middle . . 11 A 11 GLY middle . false 12 A 12 GLN middle . . 13 A 13 PRO middle . false 14 A 14 VAL middle . . 15 A 15 ILE middle . . 16 A 16 ARG middle . . 17 A 17 LEU middle . . 18 A 18 THR middle . . 19 A 19 ALA middle . . 20 A 20 GLY middle . false 21 A 21 GLN middle . . 22 A 22 LEU middle . . 23 A 23 SER middle . . 24 A 24 SER middle . . 25 A 25 GLN middle . . 26 A 26 LEU middle . . 27 A 27 ALA middle . . 28 A 28 GLU middle . . 29 A 29 LEU middle . . 30 A 30 SER middle . . 31 A 31 GLU middle . . 32 A 32 GLU middle . . 33 A 33 ALA middle . . 34 A 34 LEU 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 MET HA H 1 4.129 0.006 A 1 MET HB2 H 1 2.158 0.006 A 1 MET HB3 H 1 2.170 0.006 A 1 MET HG2 H 1 2.578 0.006 A 1 MET HG3 H 1 2.590 0.006 A 2 ASN H H 1 8.750 0.006 A 2 ASN HA H 1 4.796 0.006 A 2 ASN HB2 H 1 2.799 0.006 A 2 ASN HB3 H 1 2.865 0.006 A 2 ASN HD21 H 1 7.526 0.006 A 2 ASN HD22 H 1 6.773 0.006 A 3 LYS H H 1 8.352 0.006 A 3 LYS HA H 1 4.243 0.006 A 3 LYS HB2 H 1 1.755 0.006 A 3 LYS HB3 H 1 1.863 0.006 A 3 LYS HD2 H 1 1.692 0.006 A 3 LYS HD3 H 1 1.692 0.006 A 3 LYS HE2 H 1 2.998 0.006 A 3 LYS HE3 H 1 2.998 0.006 A 3 LYS HGx H 1 1.411 0.006 A 3 LYS HGy H 1 1.461 0.006 A 4 LYS H H 1 8.139 0.006 A 4 LYS HA H 1 4.262 0.006 A 4 LYS HB2 H 1 1.752 0.006 A 4 LYS HB3 H 1 1.802 0.006 A 4 LYS HD2 H 1 1.674 0.006 A 4 LYS HD3 H 1 1.680 0.006 A 4 LYS HE2 H 1 2.982 0.006 A 4 LYS HE3 H 1 2.985 0.006 A 4 LYS HG2 H 1 1.395 0.006 A 4 LYS HG3 H 1 1.439 0.006 A 5 ASN H H 1 8.147 0.006 A 5 ASN HA H 1 4.728 0.006 A 5 ASN HB2 H 1 2.707 0.006 A 5 ASN HB3 H 1 2.809 0.006 A 5 ASN HD21 H 1 7.413 0.006 A 5 ASN HD22 H 1 6.666 0.006 A 6 ILE H H 1 7.706 0.006 A 6 ILE HA H 1 4.205 0.006 A 6 ILE HB H 1 1.877 0.006 A 6 ILE HD1% H 1 0.830 0.006 A 6 ILE HG12 H 1 1.141 0.006 A 6 ILE HG13 H 1 1.427 0.006 A 6 ILE HG2% H 1 0.883 0.006 A 7 LEU H H 1 7.841 0.006 A 7 LEU HA H 1 4.647 0.006 A 7 LEU HB2 H 1 1.618 0.006 A 7 LEU HB3 H 1 1.637 0.006 A 7 LEU HD1% H 1 0.917 0.006 A 7 LEU HD2% H 1 0.902 0.006 A 7 LEU HG H 1 1.554 0.006 A 8 PRO HA H 1 4.372 0.006 A 8 PRO HB2 H 1 1.925 0.006 A 8 PRO HB3 H 1 2.267 0.006 A 8 PRO HD2 H 1 3.630 0.006 A 8 PRO HD3 H 1 3.797 0.006 A 8 PRO HG2 H 1 1.995 0.006 A 8 PRO HG3 H 1 2.047 0.006 A 9 GLN H H 1 8.408 0.006 A 9 GLN HA H 1 4.226 0.006 A 9 GLN HBx H 1 1.992 0.006 A 9 GLN HBy H 1 2.110 0.006 A 9 GLN HE21 H 1 7.348 0.006 A 9 GLN HE22 H 1 6.506 0.006 A 9 GLN HG2 H 1 2.380 0.006 A 9 GLN HG3 H 1 2.377 0.006 A 10 GLN H H 1 8.202 0.006 A 10 GLN HA H 1 4.278 0.006 A 10 GLN HBx H 1 2.063 0.006 A 10 GLN HBy H 1 2.136 0.006 A 10 GLN HG2 H 1 2.351 0.006 A 10 GLN HG3 H 1 2.351 0.006 A 11 GLY H H 1 8.150 0.006 A 11 GLY HA2 H 1 3.866 0.006 A 11 GLY HA3 H 1 3.974 0.006 A 12 GLN H H 1 7.967 0.006 A 12 GLN HA H 1 4.456 0.006 A 12 GLN HBx H 1 2.048 0.006 A 12 GLN HBy H 1 2.139 0.006 A 12 GLN HG2 H 1 2.408 0.006 A 12 GLN HGx H 1 2.408 0.006 A 12 GLN HGy H 1 2.424 0.006 A 13 PRO HA H 1 4.313 0.006 A 13 PRO HBx H 1 1.897 0.006 A 13 PRO HBy H 1 2.281 0.006 A 13 PRO HDx H 1 3.714 0.006 A 13 PRO HDy H 1 3.776 0.006 A 13 PRO HGx H 1 1.996 0.006 A 13 PRO HGy H 1 2.075 0.006 A 14 VAL H H 1 7.602 0.006 A 14 VAL HA H 1 3.829 0.006 A 14 VAL HB H 1 2.125 0.006 A 14 VAL HGx% H 1 0.996 0.006 A 14 VAL HGy% H 1 0.922 0.006 A 15 ILE H H 1 7.700 0.006 A 15 ILE HA H 1 3.849 0.006 A 15 ILE HB H 1 1.934 0.006 A 15 ILE HD11 H 1 0.833 0.006 A 15 ILE HD12 H 1 0.833 0.006 A 15 ILE HD13 H 1 0.833 0.006 A 15 ILE HG1x H 1 1.187 0.006 A 15 ILE HG1y H 1 1.546 0.006 A 15 ILE HG21 H 1 0.894 0.006 A 15 ILE HG22 H 1 0.894 0.006 A 15 ILE HG23 H 1 0.894 0.006 A 16 ARG H H 1 7.858 0.006 A 16 ARG HA H 1 4.100 0.006 A 16 ARG HBx H 1 1.849 0.006 A 16 ARG HBy H 1 1.854 0.006 A 16 ARG HDx H 1 3.148 0.006 A 16 ARG HDy H 1 3.161 0.006 A 16 ARG HE H 1 7.144 0.006 A 16 ARG HGx H 1 1.633 0.006 A 16 ARG HGy H 1 1.687 0.006 A 17 LEU H H 1 8.107 0.006 A 17 LEU HA H 1 4.250 0.006 A 17 LEU HBx H 1 1.598 0.006 A 17 LEU HBy H 1 1.782 0.006 A 17 LEU HDx% H 1 0.866 0.006 A 17 LEU HDy% H 1 0.857 0.006 A 18 THR H H 1 7.982 0.006 A 18 THR HA H 1 4.115 0.006 A 18 THR HB H 1 4.332 0.006 A 18 THR HG21 H 1 1.232 0.006 A 18 THR HG22 H 1 1.232 0.006 A 18 THR HG23 H 1 1.232 0.006 A 19 ALA H H 1 8.452 0.006 A 19 ALA HA H 1 4.120 0.006 A 19 ALA HB1 H 1 1.457 0.006 A 19 ALA HB% H 1 1.457 0.006 A 20 GLY H H 1 8.243 0.006 A 20 GLY HA2 H 1 3.853 0.006 A 20 GLY HA3 H 1 3.896 0.006 A 21 GLN H H 1 8.033 0.006 A 21 GLN HA H 1 4.177 0.006 A 21 GLN HBx H 1 2.165 0.006 A 21 GLN HBy H 1 2.237 0.006 A 21 GLN HGx H 1 2.444 0.006 A 21 GLN HGy H 1 2.456 0.006 A 22 LEU H H 1 8.321 0.006 A 22 LEU HA H 1 4.175 0.006 A 22 LEU HBx H 1 1.628 0.006 A 22 LEU HBy H 1 1.747 0.006 A 22 LEU HDx% H 1 0.877 0.006 A 22 LEU HDy% H 1 0.862 0.006 A 23 SER H H 1 8.174 0.006 A 23 SER HA H 1 4.186 0.006 A 23 SER HBx H 1 3.956 0.006 A 23 SER HBy H 1 4.009 0.006 A 24 SER H H 1 7.808 0.006 A 24 SER HA H 1 4.317 0.006 A 24 SER HBx H 1 4.003 0.006 A 24 SER HBy H 1 4.021 0.006 A 25 GLN H H 1 7.922 0.006 A 25 GLN HA H 1 4.275 0.006 A 25 GLN HBx H 1 2.150 0.006 A 25 GLN HBy H 1 2.179 0.006 A 25 GLN HG2 H 1 2.421 0.006 A 25 GLN HGx H 1 2.421 0.006 A 25 GLN HGy H 1 2.430 0.006 A 26 LEU H H 1 7.891 0.006 A 26 LEU HA H 1 4.278 0.006 A 26 LEU HBx H 1 1.745 0.006 A 26 LEU HBy H 1 1.754 0.006 A 26 LEU HDx% H 1 0.872 0.006 A 26 LEU HDy% H 1 0.859 0.006 A 26 LEU HG H 1 1.579 0.006 A 27 ALA H H 1 7.659 0.006 A 27 ALA HA H 1 4.298 0.006 A 27 ALA HB1 H 1 1.430 0.006 A 27 ALA HB2 H 1 1.430 0.006 A 27 ALA HB3 H 1 1.430 0.006 A 28 GLU H H 1 7.752 0.006 A 28 GLU HA H 1 4.312 0.006 A 28 GLU HBx H 1 2.039 0.006 A 28 GLU HBy H 1 2.244 0.006 A 28 GLU HGx H 1 2.449 0.006 A 28 GLU HGy H 1 2.486 0.006 A 29 LEU H H 1 7.995 0.006 A 29 LEU HA H 1 4.351 0.006 A 29 LEU HB2 H 1 1.602 0.006 A 29 LEU HB3 H 1 1.637 0.006 A 29 LEU HD1% H 1 0.893 0.006 A 29 LEU HDy% H 1 0.867 0.006 A 30 SER H H 1 8.079 0.006 A 30 SER HA H 1 4.453 0.006 A 30 SER HB2 H 1 3.872 0.006 A 30 SER HB3 H 1 3.905 0.006 A 31 GLU H H 1 8.070 0.006 A 31 GLU HA H 1 4.425 0.006 A 31 GLU HB2 H 1 1.989 0.006 A 31 GLU HB3 H 1 2.261 0.006 A 31 GLU HG2 H 1 2.396 0.006 A 31 GLU HGy H 1 2.396 0.006 A 31 GLU HGx H 1 2.395 0.006 A 32 GLU H H 1 8.025 0.006 A 32 GLU HA H 1 4.376 0.006 A 32 GLU HBx H 1 1.947 0.006 A 32 GLU HBy H 1 2.165 0.006 A 32 GLU HGx H 1 2.366 0.006 A 32 GLU HGy H 1 2.381 0.006 A 33 ALA H H 1 7.978 0.006 A 33 ALA HA H 1 4.285 0.006 A 33 ALA HB1 H 1 1.339 0.006 A 33 ALA HB2 H 1 1.339 0.006 A 33 ALA HB3 H 1 1.339 0.006 A 34 LEU H H 1 7.765 0.006 A 34 LEU HA H 1 4.313 0.006 A 34 LEU HBx H 1 1.590 0.006 A 34 LEU HBy H 1 1.625 0.006 A 34 LEU HDx% H 1 0.887 0.006 A 34 LEU HDy% H 1 0.855 0.006 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 34 LEU H A 34 LEU HA 1.0 1.492 2.474 2 1 A 34 LEU H A 33 ALA HA 1.0 1.492 2.474 3 2 A 25 GLN H A 22 LEU HA 1.0 1.755 3.445 4 2 A 25 GLN H A 23 SER HA 1.0 1.755 3.445 5 3 A 22 LEU H A 21 GLN HA 1.0 1.618 2.886 6 3 A 22 LEU HA A 22 LEU H 1.0 1.618 2.886 7 4 A 17 LEU H A 15 ILE HA 1.0 1.763 3.485 8 4 A 17 LEU H A 14 VAL HA 1.0 1.763 3.485 9 5 A 14 VAL HA A 15 ILE H 1.0 1.631 2.931 10 5 A 15 ILE HA A 15 ILE H 1.0 1.631 2.931 11 6 A 16 ARG HE A 16 ARG HDx 1.0 1.639 2.961 12 6 A 16 ARG HE A 16 ARG HDy 1.0 1.639 2.961 13 7 A 9 GLN HE22 A 9 GLN HG2 1.0 1.860 4.020 14 7 A 9 GLN HE22 A 9 GLN HG3 1.0 1.860 4.020 15 8 A 9 GLN HG2 A 9 GLN HE21 1.0 1.831 3.841 16 8 A 9 GLN HG3 A 9 GLN HE21 1.0 1.831 3.841 17 9 A 10 GLN H A 10 GLN HG2 1.0 1.748 3.412 18 9 A 10 GLN H A 10 GLN HG3 1.0 1.748 3.412 19 10 A 10 GLN H A 9 GLN HBy 1.0 1.693 3.173 20 10 A 10 GLN H A 10 GLN HBy 1.0 1.693 3.173 21 11 A 16 ARG H A 16 ARG HBx 1.0 1.599 2.817 22 11 A 16 ARG H A 16 ARG HBy 1.0 1.599 2.817 23 12 A 23 SER H A 22 LEU HBy 1.0 1.649 2.997 24 12 A 17 LEU H A 17 LEU HBy 1.0 1.649 2.997 25 13 A 27 ALA H A 26 LEU HBx 1.0 1.784 3.588 26 13 A 27 ALA H A 26 LEU HBy 1.0 1.784 3.588 27 14 A 26 LEU HBx A 26 LEU H 1.0 1.546 2.640 28 14 A 26 LEU HBy A 26 LEU H 1.0 1.546 2.640 29 15 A 16 ARG H A 16 ARG HGx 1.0 1.677 3.107 30 15 A 7 LEU H A 7 LEU HB2 1.0 1.677 3.107 31 16 A 16 ARG H A 15 ILE HG1y 1.0 1.770 3.514 32 16 A 7 LEU H A 7 LEU HG 1.0 1.770 3.514 33 17 A 4 LYS HG3 A 5 ASN H 1.0 1.885 4.193 34 17 A 4 LYS H A 4 LYS HG3 1.0 1.885 4.193 35 17 A 4 LYS H A 3 LYS HGy 1.0 1.885 4.193 36 18 A 5 ASN H A 6 ILE HG13 1.0 1.851 3.967 37 18 A 23 SER H A 19 ALA HB% 1.0 1.851 3.967 38 18 A 4 LYS HG3 A 5 ASN H 1.0 1.851 3.967 39 18 A 4 LYS H A 4 LYS HG3 1.0 1.851 3.967 40 19 A 6 ILE HG13 A 6 ILE H 1.0 1.810 3.728 41 19 A 28 GLU H A 27 ALA HB1 1.0 1.810 3.728 42 20 A 7 LEU H A 6 ILE HG2% 1.0 1.727 3.319 43 20 A 7 LEU H A 7 LEU HD2% 1.0 1.727 3.319 44 21 A 6 ILE H A 6 ILE HG2% 1.0 1.721 3.291 45 21 A 15 ILE H A 15 ILE HG21 1.0 1.721 3.291 46 22 A 23 SER H A 26 LEU HDx% 1.0 1.876 4.136 47 22 A 23 SER H A 22 LEU HDx% 1.0 1.876 4.136 48 22 A 17 LEU H A 17 LEU HDx% 1.0 1.876 4.136 49 22 A 17 LEU H A 17 LEU HDy% 1.0 1.876 4.136 50 22 A 23 SER H A 22 LEU HDy% 1.0 1.876 4.136 51 23 A 22 LEU HDx% A 21 GLN H 1.0 1.891 4.237 52 23 A 31 GLU H A 26 LEU HDy% 1.0 1.891 4.237 53 23 A 26 LEU HDx% A 31 GLU H 1.0 1.891 4.237 54 23 A 17 LEU HDx% A 21 GLN H 1.0 1.891 4.237 55 23 A 17 LEU HDy% A 21 GLN H 1.0 1.891 4.237 56 23 A 22 LEU HDy% A 21 GLN H 1.0 1.891 4.237 57 24 A 26 LEU H A 26 LEU HDy% 1.0 1.744 3.396 58 24 A 26 LEU H A 26 LEU HDx% 1.0 1.744 3.396 59 25 A 22 LEU H A 22 LEU HDx% 1.0 1.815 3.751 60 25 A 22 LEU H A 22 LEU HDy% 1.0 1.815 3.751 61 26 A 23 SER H A 22 LEU HDy% 1.0 1.853 3.979 62 26 A 23 SER H A 22 LEU HDx% 1.0 1.853 3.979 63 27 A 31 GLU H A 26 LEU HDy% 1.0 1.785 3.593 64 27 A 17 LEU H A 17 LEU HDx% 1.0 1.785 3.593 65 27 A 17 LEU H A 17 LEU HDy% 1.0 1.785 3.593 66 27 A 30 SER H A 29 LEU HDy% 1.0 1.785 3.593 67 28 A 29 LEU HDy% A 29 LEU H 1.0 1.841 3.899 68 28 A 17 LEU HDx% A 18 THR H 1.0 1.841 3.899 69 28 A 17 LEU HDy% A 18 THR H 1.0 1.841 3.899 70 29 A 27 ALA H A 26 LEU HDx% 1.0 1.878 4.148 71 29 A 27 ALA H A 26 LEU HDy% 1.0 1.878 4.148 72 30 A 15 ILE HG21 A 19 ALA H 1.0 1.915 4.439 73 30 A 22 LEU HDy% A 19 ALA H 1.0 1.915 4.439 74 31 A 4 LYS H A 3 LYS HGy 1.0 1.895 4.271 75 31 A 5 ASN H A 6 ILE HG13 1.0 1.895 4.271 76 31 A 4 LYS H A 4 LYS HG3 1.0 1.895 4.271 77 31 A 23 SER H A 19 ALA HB% 1.0 1.895 4.271 78 32 A 21 GLN H A 18 THR HA 1.0 1.778 3.558 79 32 A 21 GLN H A 19 ALA HA 1.0 1.778 3.558 80 33 A 31 GLU H A 30 SER HA 1.0 1.545 2.641 81 33 A 31 GLU H A 31 GLU HA 1.0 1.545 2.641 82 34 A 4 LYS H A 3 LYS HA 1.0 1.488 2.466 83 34 A 4 LYS H A 4 LYS HA 1.0 1.488 2.466 84 35 A 22 LEU HA A 25 GLN HGy 1.0 1.871 4.097 85 35 A 21 GLN HA A 21 GLN HGx 1.0 1.871 4.097 86 35 A 21 GLN HA A 21 GLN HGy 1.0 1.871 4.097 87 36 A 9 GLN HG2 A 9 GLN HA 1.0 1.912 4.416 88 36 A 9 GLN HG3 A 9 GLN HA 1.0 1.912 4.416 89 37 A 3 LYS HA A 3 LYS HB3 1.0 1.893 4.259 90 37 A 6 ILE HA A 6 ILE HB 1.0 1.893 4.259 91 38 A 26 LEU HBx A 26 LEU HA 1.0 1.773 3.531 92 38 A 26 LEU HBy A 26 LEU HA 1.0 1.773 3.531 93 38 A 4 LYS HA A 4 LYS HB2 1.0 1.773 3.531 94 38 A 3 LYS HA A 3 LYS HB2 1.0 1.773 3.531 95 39 A 19 ALA HA A 18 THR HG21 1.0 1.686 3.146 96 39 A 18 THR HA A 18 THR HG21 1.0 1.686 3.146 97 40 A 26 LEU HA A 29 LEU HB2 1.0 1.897 4.289 98 40 A 26 LEU HA A 29 LEU HB3 1.0 1.897 4.289 99 40 A 33 ALA HA A 34 LEU HBy 1.0 1.897 4.289 100 40 A 25 GLN HA A 29 LEU HB2 1.0 1.897 4.289 101 40 A 10 GLN HA A 7 LEU HB3 1.0 1.897 4.289 102 41 A 22 LEU HDy% A 18 THR HA 1.0 1.854 3.982 103 41 A 22 LEU HDy% A 19 ALA HA 1.0 1.854 3.982 104 41 A 22 LEU HDx% A 19 ALA HA 1.0 1.854 3.982 105 41 A 15 ILE HG21 A 16 ARG HA 1.0 1.854 3.982 106 42 A 22 LEU HDy% A 18 THR HA 1.0 1.855 3.989 107 42 A 22 LEU HDy% A 19 ALA HA 1.0 1.855 3.989 108 42 A 22 LEU HDx% A 19 ALA HA 1.0 1.855 3.989 109 43 A 6 ILE HG2% A 6 ILE HA 1.0 1.725 3.307 110 43 A 23 SER HA A 26 LEU HDx% 1.0 1.725 3.307 111 43 A 22 LEU HA A 22 LEU HDx% 1.0 1.725 3.307 112 44 A 17 LEU HDy% A 17 LEU HA 1.0 1.805 3.697 113 44 A 17 LEU HDx% A 17 LEU HA 1.0 1.805 3.697 114 45 A 7 LEU HD2% A 8 PRO HD2 1.0 1.838 3.884 115 45 A 8 PRO HD2 A 7 LEU HD1% 1.0 1.838 3.884 116 46 A 14 VAL HA A 14 VAL HGx% 1.0 1.646 2.986 117 46 A 14 VAL HGx% A 11 GLY HA2 1.0 1.646 2.986 118 47 A 14 VAL HA A 14 VAL HB 1.0 1.720 3.284 119 47 A 11 GLY HA2 A 14 VAL HB 1.0 1.720 3.284 120 48 A 13 PRO HDy A 13 PRO HGy 1.0 1.670 3.082 121 48 A 8 PRO HD3 A 8 PRO HG3 1.0 1.670 3.082 122 49 A 13 PRO HDy A 13 PRO HGx 1.0 1.665 3.063 123 49 A 8 PRO HD3 A 8 PRO HG2 1.0 1.665 3.063 124 50 A 8 PRO HD3 A 8 PRO HB3 1.0 1.862 4.036 125 50 A 13 PRO HDy A 13 PRO HBy 1.0 1.862 4.036 126 51 A 13 PRO HDy A 13 PRO HBx 1.0 1.809 3.717 127 51 A 8 PRO HD3 A 8 PRO HB2 1.0 1.809 3.717 128 52 A 3 LYS HE3 A 3 LYS HD3 1.0 1.617 2.881 129 52 A 4 LYS HE3 A 4 LYS HD3 1.0 1.617 2.881 130 52 A 3 LYS HD2 A 3 LYS HE2 1.0 1.617 2.881 131 52 A 4 LYS HE3 A 4 LYS HD2 1.0 1.617 2.881 132 52 A 3 LYS HE3 A 3 LYS HD2 1.0 1.617 2.881 133 52 A 3 LYS HD3 A 3 LYS HE2 1.0 1.617 2.881 134 52 A 4 LYS HD2 A 4 LYS HE2 1.0 1.617 2.881 135 53 A 31 GLU HB3 A 31 GLU HB2 1.0 1.373 2.149 136 53 A 8 PRO HG2 A 8 PRO HB3 1.0 1.373 2.149 137 54 A 13 PRO HBy A 13 PRO HBx 1.0 1.397 2.211 138 54 A 8 PRO HB3 A 8 PRO HB2 1.0 1.397 2.211 139 55 A 25 GLN HGy A 25 GLN HBy 1.0 1.461 2.387 140 55 A 25 GLN HGx A 25 GLN HBx 1.0 1.461 2.387 141 55 A 25 GLN HBy A 25 GLN HGx 1.0 1.461 2.387 142 55 A 21 GLN HGx A 21 GLN HBx 1.0 1.461 2.387 143 55 A 21 GLN HGy A 21 GLN HBx 1.0 1.461 2.387 144 56 A 25 GLN HGx A 25 GLN HBx 1.0 1.452 2.362 145 56 A 25 GLN HBy A 25 GLN HGx 1.0 1.452 2.362 146 56 A 25 GLN HGy A 25 GLN HBy 1.0 1.452 2.362 147 56 A 12 GLN HBy A 12 GLN HGx 1.0 1.452 2.362 148 57 A 10 GLN HG2 A 10 GLN HBy 1.0 1.399 2.217 149 57 A 10 GLN HG3 A 10 GLN HBy 1.0 1.399 2.217 150 57 A 32 GLU HGx A 32 GLU HBy 1.0 1.399 2.217 151 58 A 31 GLU HB3 A 31 GLU HGy 1.0 1.383 2.173 152 58 A 31 GLU HB3 A 31 GLU HGx 1.0 1.383 2.173 153 59 A 31 GLU HB2 A 31 GLU HGy 1.0 1.507 2.521 154 59 A 31 GLU HB2 A 31 GLU HGx 1.0 1.507 2.521 155 59 A 9 GLN HG2 A 9 GLN HBx 1.0 1.507 2.521 156 59 A 9 GLN HG3 A 9 GLN HBx 1.0 1.507 2.521 157 60 A 28 GLU HBy A 28 GLU HGx 1.0 1.516 2.550 158 60 A 28 GLU HGy A 28 GLU HBy 1.0 1.516 2.550 159 60 A 21 GLN HGx A 21 GLN HBy 1.0 1.516 2.550 160 60 A 21 GLN HGy A 21 GLN HBy 1.0 1.516 2.550 161 61 A 31 GLU HB2 A 31 GLU HGx 1.0 1.568 2.714 162 61 A 9 GLN HG2 A 9 GLN HBx 1.0 1.568 2.714 163 61 A 9 GLN HG3 A 9 GLN HBx 1.0 1.568 2.714 164 62 A 28 GLU HGy A 28 GLU HBy 1.0 1.642 2.974 165 62 A 21 GLN HGy A 21 GLN HBy 1.0 1.642 2.974 166 63 A 28 GLU HBy A 28 GLU HGx 1.0 1.657 3.031 167 63 A 28 GLU HGy A 28 GLU HBy 1.0 1.657 3.031 168 63 A 21 GLN HGx A 21 GLN HBy 1.0 1.657 3.031 169 64 A 28 GLU HGx A 28 GLU HBx 1.0 1.635 2.945 170 64 A 12 GLN HGx A 12 GLN HBx 1.0 1.635 2.945 171 64 A 12 GLN HGy A 12 GLN HBx 1.0 1.635 2.945 172 65 A 12 GLN HGx A 12 GLN HBx 1.0 1.627 2.917 173 65 A 12 GLN HGy A 12 GLN HBx 1.0 1.627 2.917 174 66 A 1 MET HG2 A 1 MET HB2 1.0 1.725 3.307 175 66 A 1 MET HB3 A 1 MET HG2 1.0 1.725 3.307 176 67 A 1 MET HG2 A 1 MET HB2 1.0 1.796 3.646 177 67 A 1 MET HB3 A 1 MET HG2 1.0 1.796 3.646 178 67 A 1 MET HB2 A 1 MET HG3 1.0 1.796 3.646 179 67 A 1 MET HB3 A 1 MET HG3 1.0 1.796 3.646 180 68 A 22 LEU HDx% A 21 GLN HGx 1.0 1.882 4.174 181 68 A 22 LEU HDx% A 25 GLN HGy 1.0 1.882 4.174 182 68 A 26 LEU HDy% A 25 GLN HGy 1.0 1.882 4.174 183 68 A 26 LEU HDy% A 31 GLU HGx 1.0 1.882 4.174 184 68 A 26 LEU HDy% A 25 GLN HGx 1.0 1.882 4.174 185 68 A 29 LEU HDy% A 28 GLU HGx 1.0 1.882 4.174 186 68 A 22 LEU HDy% A 21 GLN HGx 1.0 1.882 4.174 187 68 A 22 LEU HDy% A 21 GLN HGy 1.0 1.882 4.174 188 68 A 22 LEU HDx% A 25 GLN HGx 1.0 1.882 4.174 189 68 A 22 LEU HDx% A 21 GLN HGy 1.0 1.882 4.174 190 69 A 17 LEU HBy A 17 LEU HDx% 1.0 1.459 2.381 191 69 A 17 LEU HBy A 17 LEU HDy% 1.0 1.459 2.381 192 69 A 26 LEU HBx A 26 LEU HDx% 1.0 1.459 2.381 193 69 A 26 LEU HBy A 26 LEU HDy% 1.0 1.459 2.381 194 69 A 26 LEU HBy A 26 LEU HDx% 1.0 1.459 2.381 195 69 A 22 LEU HBy A 22 LEU HDy% 1.0 1.459 2.381 196 70 A 17 LEU HDx% A 17 LEU HBx 1.0 1.466 2.402 197 70 A 34 LEU HBy A 34 LEU HDy% 1.0 1.466 2.402 198 70 A 34 LEU HDx% A 34 LEU HBx 1.0 1.466 2.402 199 70 A 22 LEU HDx% A 22 LEU HBx 1.0 1.466 2.402 200 70 A 34 LEU HBy A 34 LEU HDx% 1.0 1.466 2.402 201 70 A 34 LEU HDy% A 34 LEU HBx 1.0 1.466 2.402 202 70 A 29 LEU HDy% A 29 LEU HB2 1.0 1.466 2.402 203 70 A 17 LEU HDy% A 17 LEU HBx 1.0 1.466 2.402 204 71 A 17 LEU HDx% A 17 LEU HBx 1.0 1.480 2.440 205 71 A 34 LEU HBy A 34 LEU HDy% 1.0 1.480 2.440 206 71 A 34 LEU HDx% A 34 LEU HBx 1.0 1.480 2.440 207 71 A 22 LEU HDx% A 22 LEU HBx 1.0 1.480 2.440 208 71 A 34 LEU HDy% A 34 LEU HBx 1.0 1.480 2.440 209 71 A 26 LEU HDx% A 26 LEU HG 1.0 1.480 2.440 210 71 A 29 LEU HDy% A 29 LEU HB2 1.0 1.480 2.440 211 71 A 26 LEU HDy% A 26 LEU HG 1.0 1.480 2.440 212 72 A 26 LEU HDx% A 26 LEU HG 1.0 1.528 2.586 213 72 A 29 LEU HDy% A 29 LEU HB2 1.0 1.528 2.586 214 72 A 17 LEU HDx% A 17 LEU HBx 1.0 1.528 2.586 215 72 A 26 LEU HDy% A 26 LEU HG 1.0 1.528 2.586 216 73 A 3 LYS HGy A 3 LYS HD2 1.0 1.404 2.228 217 73 A 3 LYS HGy A 3 LYS HD3 1.0 1.404 2.228 218 73 A 4 LYS HG3 A 4 LYS HD2 1.0 1.404 2.228 219 74 A 22 LEU HDy% A 18 THR HG21 1.0 1.679 3.115 220 74 A 22 LEU HDx% A 18 THR HG21 1.0 1.679 3.115 221 75 A 29 LEU HDy% A 29 LEU HB2 1.0 1.460 2.384 222 75 A 17 LEU HDy% A 17 LEU HBx 1.0 1.460 2.384 223 75 A 17 LEU HDx% A 17 LEU HBx 1.0 1.460 2.384 224 75 A 34 LEU HBy A 34 LEU HDy% 1.0 1.460 2.384 225 75 A 22 LEU HDx% A 22 LEU HBx 1.0 1.460 2.384 226 75 A 34 LEU HBy A 34 LEU HDx% 1.0 1.460 2.384 227 76 A 7 LEU HB3 A 7 LEU HD1% 1.0 1.476 2.430 228 76 A 29 LEU HB3 A 29 LEU HD1% 1.0 1.476 2.430 229 77 A 26 LEU HBy A 26 LEU HDy% 1.0 1.403 2.225 230 77 A 26 LEU HBy A 26 LEU HDx% 1.0 1.403 2.225 231 77 A 26 LEU HBx A 26 LEU HDx% 1.0 1.403 2.225 232 77 A 22 LEU HBy A 22 LEU HDy% 1.0 1.403 2.225 233 78 A 26 LEU HDx% A 26 LEU HG 1.0 1.484 2.454 234 78 A 29 LEU HDy% A 29 LEU HB2 1.0 1.484 2.454 235 78 A 34 LEU HDx% A 34 LEU HBx 1.0 1.484 2.454 236 78 A 17 LEU HDx% A 17 LEU HBx 1.0 1.484 2.454 237 78 A 26 LEU HDy% A 26 LEU HG 1.0 1.484 2.454 238 79 A 16 ARG HDy A 16 ARG HBx 1.0 1.753 3.437 239 79 A 16 ARG HDy A 16 ARG HBy 1.0 1.753 3.437 240 80 A 16 ARG HDx A 16 ARG HGy 1.0 1.701 3.205 241 80 A 16 ARG HDy A 16 ARG HGy 1.0 1.701 3.205 242 81 A 16 ARG HDx A 16 ARG HGx 1.0 1.716 3.266 243 81 A 16 ARG HDy A 16 ARG HGx 1.0 1.716 3.266 244 82 A 8 PRO HD2 A 10 GLN HBx 1.0 1.770 3.520 245 82 A 8 PRO HD2 A 8 PRO HG3 1.0 1.770 3.520 246 83 A 13 PRO HGy A 13 PRO HDx 1.0 1.712 3.252 247 83 A 12 GLN HBx A 13 PRO HDx 1.0 1.712 3.252 248 84 A 13 PRO HGx A 13 PRO HDx 1.0 1.767 3.501 249 84 A 12 GLN HBx A 13 PRO HDx 1.0 1.767 3.501 250 85 A 14 VAL HA A 17 LEU HBx 1.0 1.870 4.086 251 85 A 15 ILE HA A 15 ILE HG1y 1.0 1.870 4.086 252 86 A 14 VAL HA A 17 LEU HDy% 1.0 1.776 3.544 253 86 A 14 VAL HA A 17 LEU HDx% 1.0 1.776 3.544 254 87 A 17 LEU HDy% A 20 GLY HA3 1.0 1.866 4.064 255 87 A 29 LEU HDy% A 30 SER HB3 1.0 1.866 4.064 256 87 A 17 LEU HDx% A 20 GLY HA3 1.0 1.866 4.064 257 87 A 29 LEU HD1% A 30 SER HB3 1.0 1.866 4.064 258 87 A 22 LEU HDy% A 20 GLY HA3 1.0 1.866 4.064 259 87 A 26 LEU HDy% A 30 SER HB3 1.0 1.866 4.064 260 88 A 7 LEU HD2% A 11 GLY HA3 1.0 1.832 3.852 261 88 A 11 GLY HA3 A 15 ILE HD11 1.0 1.832 3.852 262 88 A 26 LEU HDx% A 23 SER HBx 1.0 1.832 3.852 263 88 A 22 LEU HDy% A 23 SER HBx 1.0 1.832 3.852 264 89 A 7 LEU HD1% A 11 GLY HA3 1.0 1.892 4.246 265 89 A 7 LEU HD2% A 11 GLY HA3 1.0 1.892 4.246 266 90 A 22 LEU HA A 22 LEU HDy% 1.0 1.566 2.708 267 90 A 22 LEU HA A 22 LEU HDx% 1.0 1.566 2.708 268 91 A 23 SER HA A 26 LEU HDx% 1.0 1.538 2.616 269 91 A 22 LEU HA A 22 LEU HDx% 1.0 1.538 2.616 270 92 A 26 LEU HDy% A 30 SER HA 1.0 1.858 4.010 271 92 A 15 ILE HD11 A 12 GLN HA 1.0 1.858 4.010 272 92 A 26 LEU HDx% A 30 SER HA 1.0 1.858 4.010 273 93 A 22 LEU HA A 22 LEU HBy 1.0 1.655 3.023 274 93 A 23 SER HA A 26 LEU HBy 1.0 1.655 3.023 275 93 A 23 SER HA A 26 LEU HBx 1.0 1.655 3.023 276 94 A 26 LEU HBy A 26 LEU HA 1.0 1.597 2.811 277 94 A 4 LYS HA A 4 LYS HB2 1.0 1.597 2.811 278 94 A 26 LEU HBx A 26 LEU HA 1.0 1.597 2.811 279 95 A 22 LEU HA A 25 GLN HBy 1.0 1.671 3.085 280 95 A 21 GLN HA A 21 GLN HBx 1.0 1.671 3.085 281 96 A 22 LEU HDx% A 21 GLN HGx 1.0 1.819 3.773 282 96 A 22 LEU HDx% A 25 GLN HGy 1.0 1.819 3.773 283 96 A 28 GLU HGx A 29 LEU HD1% 1.0 1.819 3.773 284 96 A 26 LEU HDy% A 25 GLN HGy 1.0 1.819 3.773 285 96 A 26 LEU HDy% A 25 GLN HGx 1.0 1.819 3.773 286 96 A 29 LEU HDy% A 28 GLU HGx 1.0 1.819 3.773 287 96 A 22 LEU HDy% A 21 GLN HGx 1.0 1.819 3.773 288 96 A 22 LEU HDy% A 21 GLN HGy 1.0 1.819 3.773 289 96 A 22 LEU HDx% A 25 GLN HGx 1.0 1.819 3.773 290 96 A 22 LEU HDx% A 21 GLN HGy 1.0 1.819 3.773 291 97 A 22 LEU HDx% A 21 GLN HGx 1.0 1.815 3.751 292 97 A 22 LEU HDx% A 25 GLN HGy 1.0 1.815 3.751 293 97 A 26 LEU HDy% A 25 GLN HGy 1.0 1.815 3.751 294 97 A 26 LEU HDy% A 25 GLN HGx 1.0 1.815 3.751 295 97 A 29 LEU HDy% A 28 GLU HGx 1.0 1.815 3.751 296 97 A 22 LEU HDy% A 21 GLN HGx 1.0 1.815 3.751 297 97 A 22 LEU HDy% A 21 GLN HGy 1.0 1.815 3.751 298 97 A 22 LEU HDx% A 25 GLN HGx 1.0 1.815 3.751 299 97 A 22 LEU HDx% A 21 GLN HGy 1.0 1.815 3.751 300 98 A 14 VAL HB A 11 GLY HA3 1.0 1.920 4.478 301 98 A 10 GLN HBy A 11 GLY HA3 1.0 1.920 4.478 302 99 A 26 LEU HG A 23 SER HBy 1.0 1.946 4.732 303 99 A 26 LEU HG A 24 SER HBy 1.0 1.946 4.732 304 99 A 22 LEU HBx A 24 SER HBy 1.0 1.946 4.732 305 99 A 22 LEU HBx A 23 SER HBy 1.0 1.946 4.732 306 100 A 7 LEU HB2 A 11 GLY HA3 1.0 1.939 4.661 307 100 A 7 LEU HB3 A 11 GLY HA3 1.0 1.939 4.661 308 101 A 19 ALA HB% A 23 SER HBy 1.0 1.934 4.608 309 101 A 27 ALA HB1 A 24 SER HBx 1.0 1.934 4.608 310 102 A 15 ILE HA A 19 ALA HB% 1.0 1.898 4.294 311 102 A 19 ALA HB% A 20 GLY HA2 1.0 1.898 4.294 312 103 A 27 ALA HB1 A 24 SER HA 1.0 1.876 4.132 313 103 A 27 ALA HB1 A 27 ALA HA 1.0 1.876 4.132 314 104 A 27 ALA H A 24 SER HA 1.0 1.637 2.955 315 104 A 15 ILE H A 13 PRO HA 1.0 1.637 2.955 316 105 A 26 LEU H A 25 GLN HBy 1.0 1.735 3.351 317 105 A 25 GLN H A 25 GLN HBy 1.0 1.735 3.351 318 106 A 23 SER HA A 26 LEU H 1.0 1.763 3.485 319 106 A 25 GLN H A 23 SER HA 1.0 1.763 3.485 320 106 A 25 GLN H A 22 LEU HA 1.0 1.763 3.485 321 107 A 23 SER H A 20 GLY HA2 1.0 1.774 3.536 322 107 A 11 GLY HA2 A 11 GLY H 1.0 1.774 3.536 323 108 A 18 THR HA A 20 GLY H 1.0 1.794 3.636 324 108 A 16 ARG HA A 20 GLY H 1.0 1.794 3.636 325 109 A 34 LEU H A 34 LEU HA 1.0 1.775 3.543 326 109 A 34 LEU H A 33 ALA HA 1.0 1.775 3.543 327 109 A 28 GLU H A 28 GLU HA 1.0 1.775 3.543 328 110 A 28 GLU H A 25 GLN HA 1.0 1.862 4.038 329 110 A 28 GLU H A 26 LEU HA 1.0 1.862 4.038 330 111 A 7 LEU H A 7 LEU HA 1.0 1.815 3.751 331 112 A 30 SER H A 30 SER HA 1.0 1.533 2.599 332 113 A 29 LEU H A 30 SER HA 1.0 1.885 4.203 333 114 A 12 GLN HA A 12 GLN H 1.0 1.667 3.069 334 115 A 10 GLN H A 8 PRO HA 1.0 1.855 3.993 335 116 A 32 GLU H A 32 GLU HA 1.0 1.772 3.524 336 117 A 8 PRO HA A 9 GLN H 1.0 1.602 2.832 337 118 A 30 SER H A 29 LEU HA 1.0 1.576 2.742 338 119 A 29 LEU H A 29 LEU HA 1.0 1.620 2.890 339 120 A 19 ALA H A 18 THR HB 1.0 1.681 3.123 340 121 A 20 GLY H A 18 THR HB 1.0 1.865 4.061 341 122 A 17 LEU H A 13 PRO HA 1.0 1.784 3.590 342 123 A 16 ARG H A 13 PRO HA 1.0 1.797 3.653 343 124 A 24 SER HA A 24 SER H 1.0 1.600 2.820 344 125 A 13 PRO HA A 14 VAL H 1.0 1.731 3.337 345 126 A 15 ILE H A 13 PRO HA 1.0 1.797 3.655 346 127 A 27 ALA H A 27 ALA HA 1.0 1.555 2.671 347 128 A 25 GLN H A 25 GLN HA 1.0 1.593 2.797 348 129 A 26 LEU H A 26 LEU HA 1.0 1.570 2.722 349 130 A 10 GLN H A 10 GLN HA 1.0 1.598 2.816 350 131 A 21 GLN H A 17 LEU HA 1.0 1.832 3.852 351 132 A 29 LEU H A 26 LEU HA 1.0 1.660 3.042 352 133 A 3 LYS HA A 3 LYS H 1.0 1.734 3.348 353 134 A 17 LEU HA A 20 GLY H 1.0 1.776 3.548 354 135 A 17 LEU H A 17 LEU HA 1.0 1.634 2.946 355 136 A 10 GLN H A 9 GLN HA 1.0 1.596 2.810 356 137 A 9 GLN HA A 9 GLN H 1.0 1.728 3.324 357 138 A 6 ILE H A 6 ILE HA 1.0 1.798 3.658 358 139 A 7 LEU H A 6 ILE HA 1.0 1.593 2.795 359 140 A 23 SER HA A 26 LEU H 1.0 1.765 3.493 360 141 A 23 SER HA A 24 SER H 1.0 1.652 3.012 361 142 A 23 SER HA A 23 SER H 1.0 1.568 2.712 362 143 A 21 GLN HA A 21 GLN H 1.0 1.636 2.950 363 144 A 2 ASN H A 1 MET HA 1.0 1.661 3.045 364 145 A 19 ALA H A 19 ALA HA 1.0 1.587 2.775 365 146 A 19 ALA HA A 20 GLY H 1.0 1.726 3.312 366 147 A 23 SER H A 19 ALA HA 1.0 1.856 3.992 367 148 A 18 THR H A 18 THR HA 1.0 1.686 3.146 368 149 A 17 LEU H A 16 ARG HA 1.0 1.739 3.371 369 150 A 16 ARG H A 16 ARG HA 1.0 1.683 3.131 370 151 A 25 GLN H A 24 SER HBy 1.0 1.818 3.772 371 152 A 23 SER H A 23 SER HBy 1.0 1.658 3.034 372 153 A 25 GLN H A 24 SER HBx 1.0 1.820 3.780 373 154 A 24 SER HBy A 24 SER H 1.0 1.595 2.805 374 155 A 11 GLY HA3 A 12 GLN H 1.0 1.697 3.191 375 156 A 11 GLY HA3 A 11 GLY H 1.0 1.639 2.959 376 157 A 23 SER H A 23 SER HBx 1.0 1.656 3.024 377 158 A 30 SER H A 30 SER HB3 1.0 1.711 3.249 378 159 A 21 GLN H A 20 GLY HA3 1.0 1.735 3.351 379 160 A 20 GLY HA3 A 20 GLY H 1.0 1.551 2.657 380 161 A 30 SER H A 30 SER HB2 1.0 1.708 3.236 381 162 A 11 GLY HA2 A 11 GLY H 1.0 1.635 2.945 382 163 A 21 GLN H A 20 GLY HA2 1.0 1.738 3.370 383 164 A 11 GLY HA2 A 12 GLN H 1.0 1.688 3.150 384 165 A 20 GLY HA2 A 20 GLY H 1.0 1.549 2.651 385 166 A 15 ILE HA A 19 ALA H 1.0 1.857 4.003 386 167 A 15 ILE HA A 16 ARG H 1.0 1.722 3.294 387 168 A 14 VAL HA A 14 VAL H 1.0 1.694 3.178 388 169 A 13 PRO HDy A 12 GLN H 1.0 1.784 3.586 389 170 A 13 PRO HDx A 12 GLN H 1.0 1.780 3.568 390 171 A 13 PRO HDx A 14 VAL H 1.0 1.849 3.953 391 172 A 2 ASN H A 2 ASN HB3 1.0 1.881 4.171 392 173 A 5 ASN H A 5 ASN HB3 1.0 1.812 3.736 393 174 A 2 ASN H A 2 ASN HB2 1.0 1.855 3.989 394 175 A 3 LYS H A 2 ASN HB2 1.0 1.891 4.243 395 176 A 5 ASN H A 5 ASN HB2 1.0 1.762 3.478 396 177 A 5 ASN HB2 A 5 ASN HD21 1.0 1.867 4.075 397 178 A 28 GLU H A 28 GLU HGy 1.0 1.754 3.438 398 179 A 29 LEU H A 28 GLU HGx 1.0 1.612 2.862 399 180 A 25 GLN H A 25 GLN HGy 1.0 1.698 3.192 400 181 A 12 GLN HGy A 12 GLN H 1.0 1.694 3.178 401 182 A 31 GLU H A 31 GLU HGx 1.0 1.717 3.277 402 183 A 32 GLU H A 32 GLU HGy 1.0 1.534 2.604 403 184 A 9 GLN HG3 A 9 GLN H 1.0 1.818 3.768 404 185 A 31 GLU H A 31 GLU HB3 1.0 1.818 3.764 405 186 A 28 GLU H A 28 GLU HBy 1.0 1.824 3.802 406 187 A 21 GLN H A 21 GLN HBy 1.0 1.649 2.999 407 188 A 22 LEU H A 21 GLN HBy 1.0 1.816 3.760 408 189 A 25 GLN H A 25 GLN HBy 1.0 1.637 2.957 409 190 A 21 GLN H A 21 GLN HBx 1.0 1.663 3.051 410 191 A 22 LEU H A 21 GLN HBx 1.0 1.804 3.688 411 192 A 12 GLN HBy A 12 GLN H 1.0 1.682 3.126 412 193 A 10 GLN HBy A 11 GLY H 1.0 1.825 3.809 413 194 A 15 ILE H A 14 VAL HB 1.0 1.753 3.437 414 195 A 14 VAL HB A 14 VAL H 1.0 1.650 3.002 415 196 A 9 GLN HBy A 9 GLN H 1.0 1.825 3.811 416 197 A 10 GLN H A 10 GLN HBx 1.0 1.681 3.123 417 198 A 10 GLN HBx A 11 GLY H 1.0 1.874 4.120 418 199 A 12 GLN HBx A 12 GLN H 1.0 1.651 3.009 419 200 A 28 GLU H A 28 GLU HBx 1.0 1.726 3.314 420 201 A 9 GLN HBx A 9 GLN H 1.0 1.756 3.452 421 202 A 31 GLU H A 31 GLU HB2 1.0 1.718 3.276 422 203 A 32 GLU H A 32 GLU HBx 1.0 1.777 3.549 423 204 A 15 ILE H A 15 ILE HB 1.0 1.632 2.938 424 205 A 8 PRO HB2 A 9 GLN H 1.0 1.884 4.188 425 206 A 13 PRO HBx A 14 VAL H 1.0 1.815 3.753 426 207 A 6 ILE H A 6 ILE HB 1.0 1.722 3.296 427 208 A 16 ARG HE A 13 PRO HBx 1.0 1.886 4.202 428 209 A 17 LEU H A 16 ARG HBy 1.0 1.741 3.379 429 210 A 3 LYS HB3 A 3 LYS H 1.0 1.855 3.993 430 211 A 17 LEU H A 17 LEU HBy 1.0 1.641 2.971 431 212 A 17 LEU HBy A 18 THR H 1.0 1.791 3.625 432 213 A 3 LYS HB2 A 3 LYS H 1.0 1.708 3.238 433 214 A 23 SER H A 22 LEU HBy 1.0 1.727 3.315 434 215 A 22 LEU H A 22 LEU HBy 1.0 1.634 2.944 435 216 A 17 LEU H A 16 ARG HGy 1.0 1.705 3.223 436 217 A 16 ARG HE A 16 ARG HGy 1.0 1.867 4.065 437 218 A 16 ARG H A 16 ARG HGy 1.0 1.702 3.212 438 219 A 10 GLN H A 7 LEU HB3 1.0 1.895 4.269 439 220 A 22 LEU H A 22 LEU HBx 1.0 1.767 3.503 440 221 A 23 SER H A 22 LEU HBx 1.0 1.772 3.526 441 222 A 16 ARG HE A 16 ARG HGx 1.0 1.890 4.230 442 223 A 17 LEU H A 17 LEU HBx 1.0 1.715 3.267 443 224 A 29 LEU H A 29 LEU HB2 1.0 1.603 2.833 444 225 A 34 LEU H A 34 LEU HBx 1.0 1.831 3.843 445 226 A 26 LEU H A 26 LEU HG 1.0 1.725 3.307 446 227 A 27 ALA H A 26 LEU HG 1.0 1.842 3.910 447 228 A 15 ILE H A 15 ILE HG1y 1.0 1.725 3.309 448 229 A 19 ALA HB% A 19 ALA H 1.0 1.540 2.622 449 230 A 19 ALA HB% A 20 GLY H 1.0 1.681 3.125 450 231 A 3 LYS HGy A 3 LYS H 1.0 1.819 3.775 451 232 A 28 GLU H A 27 ALA HB1 1.0 1.738 3.364 452 233 A 6 ILE HG13 A 6 ILE H 1.0 1.795 3.643 453 234 A 27 ALA H A 27 ALA HB1 1.0 1.532 2.600 454 235 A 33 ALA H A 33 ALA HB1 1.0 1.769 3.515 455 236 A 19 ALA H A 18 THR HG21 1.0 1.842 3.908 456 237 A 18 THR H A 18 THR HG21 1.0 1.772 3.530 457 238 A 15 ILE H A 15 ILE HG1x 1.0 1.760 3.472 458 239 A 14 VAL HGx% A 14 VAL H 1.0 1.685 3.139 459 240 A 15 ILE H A 14 VAL HGx% 1.0 1.886 4.202 460 241 A 14 VAL H A 14 VAL HGy% 1.0 1.818 3.768 461 242 A 29 LEU HDy% A 29 LEU H 1.0 1.826 3.812 462 243 A 3 LYS H A 2 ASN HA 1.0 1.624 2.908 463 244 A 19 ALA H A 20 GLY H 1.0 1.696 3.188 464 245 A 10 GLN H A 9 GLN H 1.0 1.749 3.413 465 246 A 18 THR H A 19 ALA H 1.0 1.708 3.236 466 247 A 4 LYS H A 3 LYS H 1.0 1.728 3.322 467 248 A 22 LEU H A 23 SER H 1.0 1.640 2.964 468 249 A 22 LEU H A 21 GLN H 1.0 1.652 3.012 469 250 A 21 GLN H A 20 GLY H 1.0 1.656 3.026 470 251 A 17 LEU H A 18 THR H 1.0 1.588 2.784 471 252 A 25 GLN H A 24 SER H 1.0 1.597 2.813 472 253 A 27 ALA H A 26 LEU H 1.0 1.624 2.906 473 254 A 15 ILE H A 16 ARG H 1.0 1.610 2.860 474 255 A 23 SER H A 24 SER H 1.0 1.659 3.039 475 256 A 17 LEU H A 16 ARG H 1.0 1.704 3.218 476 257 A 5 ASN H A 6 ILE H 1.0 1.773 3.533 477 258 A 15 ILE H A 14 VAL H 1.0 1.650 3.002 478 259 A 27 ALA H A 28 GLU H 1.0 1.610 2.858 479 260 A 5 ASN HD21 A 5 ASN HD22 1.0 1.296 1.956 480 261 A 9 GLN HE22 A 9 GLN HE21 1.0 1.397 2.211 481 262 A 2 ASN HD21 A 2 ASN HD22 1.0 1.295 1.957 482 263 A 2 ASN H A 2 ASN HA 1.0 1.902 4.332 483 264 A 1 MET HB2 A 2 ASN H 1.0 1.949 4.777 484 265 A 8 PRO HD2 A 9 GLN H 1.0 1.935 4.627 485 266 A 28 GLU H A 28 GLU HA 1.0 1.507 2.523 486 267 A 5 ASN HB3 A 5 ASN HD21 1.0 1.932 4.598 487 268 A 2 ASN HB3 A 2 ASN HD21 1.0 1.934 4.616 488 269 A 2 ASN HB2 A 2 ASN HD21 1.0 1.916 4.444 489 270 A 28 GLU H A 28 GLU HGx 1.0 1.781 3.571 490 271 A 6 ILE H A 5 ASN HB2 1.0 1.937 4.641 491 272 A 29 LEU H A 28 GLU HGy 1.0 1.624 2.910 492 273 A 13 PRO HBy A 14 VAL H 1.0 1.927 4.545 493 274 A 29 LEU H A 28 GLU HBx 1.0 1.863 4.041 494 275 A 23 SER H A 19 ALA HB% 1.0 1.895 4.273 495 276 A 11 GLY H A 12 GLN H 1.0 1.647 2.993 496 277 A 15 ILE H A 12 GLN HA 1.0 1.905 4.355 497 278 A 15 ILE HA A 18 THR H 1.0 1.766 3.498 498 279 A 22 LEU H A 19 ALA HA 1.0 1.818 3.770 499 280 A 20 GLY HA2 A 24 SER H 1.0 1.939 4.661 500 281 A 23 SER HA A 27 ALA H 1.0 1.955 4.845 501 282 A 28 GLU H A 29 LEU H 1.0 1.821 3.785 502 283 A 8 PRO HD3 A 7 LEU HA 1.0 1.627 2.919 503 284 A 8 PRO HD2 A 7 LEU HA 1.0 1.679 3.115 504 285 A 13 PRO HDx A 12 GLN HA 1.0 1.702 3.210 505 286 A 18 THR HA A 18 THR HB 1.0 1.728 3.322 506 287 A 24 SER HBy A 24 SER HA 1.0 1.642 2.972 507 288 A 24 SER HBx A 24 SER HA 1.0 1.635 2.947 508 289 A 23 SER HA A 23 SER HBy 1.0 1.592 2.794 509 290 A 23 SER HA A 23 SER HBx 1.0 1.599 2.819 510 291 A 8 PRO HD2 A 8 PRO HD3 1.0 1.432 2.304 511 292 A 21 GLN HA A 21 GLN HBx 1.0 1.759 3.465 512 293 A 1 MET HB3 A 1 MET HA 1.0 1.842 3.912 513 294 A 9 GLN HBy A 9 GLN HA 1.0 1.885 4.195 514 295 A 4 LYS HA A 4 LYS HB2 1.0 1.782 3.576 515 296 A 22 LEU HBy A 19 ALA HA 1.0 1.843 3.915 516 297 A 16 ARG HGx A 13 PRO HA 1.0 1.886 4.202 517 298 A 17 LEU HA A 17 LEU HBx 1.0 1.921 4.493 518 299 A 14 VAL HA A 14 VAL HGy% 1.0 1.609 2.855 519 300 A 14 VAL HA A 17 LEU HBx 1.0 1.729 3.329 520 301 A 7 LEU HG A 8 PRO HD2 1.0 1.822 3.788 521 302 A 14 VAL HA A 17 LEU HBy 1.0 1.791 3.625 522 303 A 13 PRO HGy A 13 PRO HDx 1.0 1.690 3.160 523 304 A 15 ILE HA A 15 ILE HB 1.0 1.740 3.378 524 305 A 13 PRO HBy A 13 PRO HDx 1.0 1.913 4.413 525 306 A 8 PRO HD2 A 8 PRO HG3 1.0 1.762 3.482 526 307 A 14 VAL HGx% A 13 PRO HDy 1.0 1.913 4.417 527 308 A 8 PRO HD2 A 8 PRO HB2 1.0 1.877 4.139 528 309 A 32 GLU HBy A 32 GLU HBx 1.0 1.413 2.251 529 310 A 28 GLU HBy A 28 GLU HBx 1.0 1.377 2.159 530 311 A 28 GLU HGy A 28 GLU HBx 1.0 1.731 3.335 531 312 A 7 LEU HD1% A 10 GLN HBx 1.0 1.815 3.751 532 313 A 15 ILE HG1y A 15 ILE HG1x 1.0 1.554 2.670 533 314 A 6 ILE HG13 A 6 ILE HG12 1.0 1.513 2.539 534 315 A 15 ILE HG21 A 15 ILE HG1x 1.0 1.701 3.209 535 316 A 6 ILE HG12 A 6 ILE HD1% 1.0 1.468 2.406 536 317 A 6 ILE HG13 A 6 ILE HD1% 1.0 1.587 2.777 537 318 A 15 ILE HG1y A 15 ILE HD11 1.0 1.568 2.712 538 319 A 15 ILE HG21 A 15 ILE HB 1.0 1.557 2.679 539 320 A 6 ILE HG2% A 6 ILE HB 1.0 1.555 2.673 540 321 A 6 ILE HB A 6 ILE HD1% 1.0 1.752 3.434 541 322 A 14 VAL HB A 14 VAL HGy% 1.0 1.579 2.751 542 323 A 14 VAL HGx% A 14 VAL HB 1.0 1.636 2.952 543 324 A 8 PRO HD2 A 8 PRO HG2 1.0 1.793 3.633 544 325 A 8 PRO HD3 A 8 PRO HB3 1.0 1.860 4.024 545 326 A 14 VAL HA A 14 VAL HB 1.0 1.766 3.498 546 327 A 13 PRO HDy A 13 PRO HGy 1.0 1.685 3.141 547 328 A 8 PRO HD3 A 8 PRO HG3 1.0 1.678 3.114 548 329 A 8 PRO HD3 A 8 PRO HG2 1.0 1.676 3.104 549 330 A 8 PRO HD3 A 8 PRO HB2 1.0 1.784 3.590 550 331 A 15 ILE HA A 15 ILE HG1y 1.0 1.890 4.234 551 332 A 15 ILE HA A 18 THR HG21 1.0 1.864 4.046 552 333 A 15 ILE HA A 15 ILE HG1x 1.0 1.899 4.309 553 334 A 14 VAL HA A 14 VAL HGx% 1.0 1.634 2.944 554 335 A 15 ILE HA A 15 ILE HG21 1.0 1.632 2.938 555 336 A 15 ILE HA A 15 ILE HD11 1.0 1.754 3.438 556 337 A 26 LEU HDy% A 26 LEU HA 1.0 1.469 2.407 557 338 A 29 LEU HDy% A 29 LEU HA 1.0 1.651 3.007 558 339 A 29 LEU HD1% A 29 LEU HA 1.0 1.751 3.425 559 340 A 18 THR HG21 A 18 THR HB 1.0 1.488 2.466 560 341 A 18 THR HA A 18 THR HG21 1.0 1.572 2.728 561 342 A 33 ALA HA A 33 ALA HB1 1.0 1.811 3.727 562 343 A 7 LEU HD2% A 7 LEU HA 1.0 1.671 3.087 563 344 A 27 ALA HB1 A 27 ALA HA 1.0 1.493 2.479 564 345 A 19 ALA HB% A 19 ALA HA 1.0 1.451 2.359 565 346 A 7 LEU HG A 7 LEU HA 1.0 1.792 3.626 566 347 A 7 LEU HB2 A 7 LEU HA 1.0 1.781 3.575 567 348 A 7 LEU HB3 A 7 LEU HA 1.0 1.871 4.091 568 349 A 29 LEU HB2 A 29 LEU HA 1.0 1.674 3.096 569 350 A 26 LEU HA A 26 LEU HG 1.0 1.667 3.069 570 351 A 22 LEU HA A 22 LEU HBx 1.0 1.706 3.224 571 352 A 16 ARG HGx A 16 ARG HA 1.0 1.736 3.356 572 353 A 16 ARG HA A 16 ARG HGy 1.0 1.779 3.565 573 354 A 8 PRO HB2 A 8 PRO HA 1.0 1.770 3.518 574 355 A 13 PRO HBx A 13 PRO HA 1.0 1.782 3.578 575 356 A 16 ARG HBy A 13 PRO HA 1.0 1.789 3.611 576 357 A 6 ILE HA A 6 ILE HB 1.0 1.741 3.377 577 358 A 16 ARG HBy A 16 ARG HA 1.0 1.693 3.171 578 359 A 16 ARG HBx A 16 ARG HA 1.0 1.706 3.226 579 360 A 12 GLN HBx A 12 GLN HA 1.0 1.765 3.489 580 361 A 12 GLN HBy A 12 GLN HA 1.0 1.752 3.428 581 362 A 9 GLN HA A 9 GLN HBx 1.0 1.806 3.702 582 363 A 10 GLN HA A 10 GLN HBx 1.0 1.696 3.186 583 364 A 12 GLN HA A 15 ILE HB 1.0 1.857 4.005 584 365 A 31 GLU HA A 31 GLU HB2 1.0 1.866 4.062 585 366 A 8 PRO HG2 A 8 PRO HA 1.0 1.808 3.714 586 367 A 13 PRO HGx A 13 PRO HA 1.0 1.824 3.798 587 368 A 8 PRO HG3 A 8 PRO HA 1.0 1.823 3.797 588 369 A 32 GLU HBy A 32 GLU HA 1.0 1.821 3.785 589 370 A 25 GLN HA A 25 GLN HBx 1.0 1.641 2.971 590 371 A 10 GLN HBy A 10 GLN HA 1.0 1.650 3.004 591 372 A 21 GLN HA A 21 GLN HBy 1.0 1.726 3.314 592 373 A 25 GLN HA A 25 GLN HBy 1.0 1.679 3.117 593 374 A 8 PRO HB3 A 8 PRO HA 1.0 1.652 3.012 594 375 A 13 PRO HBy A 13 PRO HA 1.0 1.659 3.037 595 376 A 28 GLU HBy A 28 GLU HA 1.0 1.702 3.212 596 377 A 32 GLU HGx A 32 GLU HA 1.0 1.816 3.752 597 378 A 9 GLN HG3 A 9 GLN HA 1.0 1.716 3.268 598 379 A 10 GLN HG3 A 10 GLN HA 1.0 1.755 3.445 599 380 A 21 GLN HA A 21 GLN HGy 1.0 1.766 3.500 600 381 A 28 GLU HGx A 28 GLU HA 1.0 1.667 3.067 601 382 A 25 GLN HGy A 25 GLN HA 1.0 1.662 3.050 602 383 A 28 GLU HGy A 28 GLU HA 1.0 1.784 3.590 603 384 A 12 GLN HGy A 12 GLN HA 1.0 1.723 3.301 604 385 A 31 GLU HA A 31 GLU HGx 1.0 1.738 3.368 605 386 A 2 ASN HB3 A 2 ASN HA 1.0 1.848 3.946 606 387 A 2 ASN HB2 A 2 ASN HA 1.0 1.830 3.840 607 388 A 5 ASN HB3 A 5 ASN HA 1.0 1.848 3.946 608 389 A 5 ASN HB2 A 5 ASN HA 1.0 1.857 4.007 609 390 A 16 ARG HBx A 13 PRO HA 1.0 1.855 3.993 610 391 A 10 GLN HG2 A 10 GLN HA 1.0 1.768 3.508 611 392 A 4 LYS HA A 4 LYS HB3 1.0 1.711 3.251 612 393 A 4 LYS HA A 4 LYS HD3 1.0 1.802 3.678 613 394 A 16 ARG HDy A 16 ARG HA 1.0 1.894 4.258 614 395 A 14 VAL HB A 11 GLY HA3 1.0 1.940 4.676 615 396 A 18 THR HA A 21 GLN HBy 1.0 1.926 4.532 616 397 A 7 LEU H A 6 ILE HG2% 1.0 1.913 4.419 617 398 A 21 GLN HA A 24 SER HBy 1.0 1.631 2.931 618 399 A 22 LEU HA A 25 GLN HBy 1.0 1.706 3.226 619 400 A 11 GLY HA2 A 11 GLY HA3 1.0 1.311 1.995 stop_ save_