data_nef_c36097_5xr1 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5XR1 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 -18 GLY start . false 2 A -17 SER middle . . 3 A -16 SER middle . . 4 A -15 HIS middle . . 5 A -14 HIS middle . . 6 A -13 HIS middle . . 7 A -12 HIS middle . . 8 A -11 HIS middle . . 9 A -10 HIS middle . . 10 A -9 SER middle . . 11 A -8 SER middle . . 12 A -7 GLY middle . false 13 A -6 LEU middle . . 14 A -5 VAL middle . . 15 A -4 PRO middle . false 16 A -3 ARG middle . . 17 A -2 GLY middle . false 18 A -1 SER middle . . 19 A 0 HIS middle . . 20 A 1 PRO middle . false 21 A 2 LEU middle . . 22 A 3 PHE middle . . 23 A 4 LYS middle . . 24 A 5 SER middle . . 25 A 6 ALA middle . . 26 A 7 THR middle . . 27 A 8 THR middle . . 28 A 9 THR middle . . 29 A 10 VAL middle . . 30 A 11 MET middle . . 31 A 12 ASN middle . . 32 A 13 GLY middle . false 33 A 14 ALA middle . . 34 A 15 SER middle . . 35 A 16 GLY middle . false 36 A 17 SER middle . . 37 A 18 GLY middle . false 38 A 19 ALA middle . . 39 A 20 SER middle . . 40 A 21 GLY middle . false 41 A 22 SER middle . . 42 A 23 GLY middle . false 43 A 24 GLY middle . false 44 A 25 ALA middle . . 45 A 26 HIS middle . . 46 A 27 LYS middle . . 47 A 28 VAL middle . . 48 A 29 ARG middle . . 49 A 30 ALA middle . . 50 A 31 GLY middle . false 51 A 32 GLY middle . false 52 A 33 PRO middle . false 53 A 34 GLY middle . false 54 A 35 LEU middle . . 55 A 36 GLU middle . . 56 A 37 ARG middle . . 57 A 38 ALA middle . . 58 A 39 GLU middle . . 59 A 40 ALA middle . . 60 A 41 GLY middle . false 61 A 42 VAL middle . . 62 A 43 PRO middle . false 63 A 44 ALA middle . . 64 A 45 GLU middle . . 65 A 46 PHE middle . . 66 A 47 SER middle . . 67 A 48 ILE middle . . 68 A 49 TRP middle . . 69 A 50 THR middle . . 70 A 51 ARG middle . . 71 A 52 GLU middle . . 72 A 53 ALA middle . . 73 A 54 GLY middle . false 74 A 55 ALA middle . . 75 A 56 GLY middle . false 76 A 57 GLY middle . false 77 A 58 LEU middle . . 78 A 59 ALA middle . . 79 A 60 ILE middle . . 80 A 61 ALA middle . . 81 A 62 VAL middle . . 82 A 63 GLU middle . . 83 A 64 GLY middle . false 84 A 65 PRO middle . false 85 A 66 SER middle . . 86 A 67 LYS middle . . 87 A 68 ALA middle . . 88 A 69 GLU middle . . 89 A 70 ILE middle . . 90 A 71 SER middle . . 91 A 72 PHE middle . . 92 A 73 GLU middle . . 93 A 74 ASP middle . . 94 A 75 ARG middle . . 95 A 76 LYS middle . . 96 A 77 ASP middle . . 97 A 78 GLY middle . false 98 A 79 SER middle . . 99 A 80 CYS middle . . 100 A 81 GLY middle . false 101 A 82 VAL middle . . 102 A 83 ALA middle . . 103 A 84 TYR middle . . 104 A 85 VAL middle . . 105 A 86 VAL middle . . 106 A 87 GLN middle . . 107 A 88 GLU middle . . 108 A 89 PRO middle . false 109 A 90 GLY middle . false 110 A 91 ASP middle . . 111 A 92 TYR middle . . 112 A 93 GLU middle . . 113 A 94 VAL middle . . 114 A 95 SER middle . . 115 A 96 VAL middle . . 116 A 97 LYS middle . . 117 A 98 PHE middle . . 118 A 99 ASN middle . . 119 A 100 GLU middle . . 120 A 101 GLU middle . . 121 A 102 HIS middle . . 122 A 103 ILE middle . . 123 A 104 PRO middle . false 124 A 105 ASP middle . . 125 A 106 SER middle . . 126 A 107 PRO middle . false 127 A 108 PHE middle . . 128 A 109 VAL middle . . 129 A 110 VAL middle . . 130 A 111 PRO middle . false 131 A 112 VAL middle . . 132 A 113 ALA middle . . 133 A 114 SER middle . . 134 A 115 PRO middle . false 135 A 116 SER end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 2 LEU H H 1 7.776 0.008 A 2 LEU HA H 1 4.154 0 A 2 LEU HBx H 1 1.374 0 A 2 LEU HDx% H 1 0.634 0 A 2 LEU HG H 1 1.196 0 A 2 LEU CA C 13 54.709 0 A 2 LEU CB C 13 44.977 0 A 2 LEU N N 15 121.044 0 A 5 SER H H 1 8.169 0.114 A 5 SER HA H 1 4.476 0 A 5 SER HBx H 1 3.867 0 A 5 SER CA C 13 58.994 0 A 5 SER CB C 13 64.546 0 A 5 SER N N 15 115.328 0.015 A 6 ALA H H 1 8.651 0.004 A 6 ALA HA H 1 4.867 0 A 6 ALA HB% H 1 1.278 0 A 6 ALA CA C 13 52.04 0 A 6 ALA CB C 13 23.64 0 A 6 ALA N N 15 126.49 0.008 A 7 THR H H 1 8.839 0.002 A 7 THR HA H 1 5.216 0.213 A 7 THR HG2% H 1 0.864 0.003 A 7 THR CA C 13 61.788 0 A 7 THR CB C 13 71.055 0 A 7 THR N N 15 115.75 0.128 A 8 THR H H 1 8.74 0.012 A 8 THR HA H 1 5.374 0 A 8 THR HG2% H 1 0.504 0 A 8 THR CA C 13 61.053 0 A 8 THR CB C 13 70.429 0.037 A 8 THR N N 15 117.313 0.033 A 11 MET H H 1 8.4 0.002 A 11 MET HA H 1 4.278 0 A 11 MET HBx H 1 1.703 0 A 11 MET HGx H 1 3.127 0 A 11 MET CA C 13 57.005 0 A 11 MET CB C 13 31.379 0 A 11 MET N N 15 121.97 0 A 14 ALA H H 1 8.231 0.002 A 14 ALA HA H 1 4.278 0 A 14 ALA HB% H 1 1.305 0 A 14 ALA CA C 13 52.917 0 A 14 ALA CB C 13 20.049 0 A 14 ALA N N 15 123.486 0 A 15 SER H H 1 8.322 0.001 A 15 SER HA H 1 4.312 0 A 15 SER HBx H 1 3.838 0 A 15 SER CA C 13 59.237 0 A 15 SER CB C 13 64.413 0 A 15 SER N N 15 115.273 0.007 A 16 GLY H H 1 8.399 0.004 A 16 GLY HAx H 1 3.906 0 A 16 GLY CA C 13 45.976 0 A 16 GLY N N 15 110.611 0.029 A 17 SER H H 1 8.204 0.006 A 17 SER HA H 1 4.5 0 A 17 SER HBx H 1 3.902 0 A 17 SER CA C 13 58.932 0 A 17 SER CB C 13 64.631 0 A 17 SER N N 15 115.188 0.002 A 18 GLY H H 1 8.33 0.001 A 18 GLY HAx H 1 3.908 0 A 18 GLY CA C 13 45.98 0 A 18 GLY N N 15 110.901 0.004 A 19 ALA H H 1 8.096 0.002 A 19 ALA HA H 1 4.305 0 A 19 ALA HB% H 1 1.292 0 A 19 ALA CA C 13 53.063 0 A 19 ALA CB C 13 19.976 0 A 19 ALA N N 15 123.73 0 A 20 SER H H 1 8.321 0.001 A 20 SER HA H 1 4.313 0 A 20 SER HBx H 1 3.836 0 A 20 SER CA C 13 59.236 0 A 20 SER CB C 13 64.411 0 A 20 SER N N 15 115.272 0.006 A 21 GLY H H 1 8.37 0.002 A 21 GLY HAx H 1 3.922 0 A 21 GLY CA C 13 46.05 0 A 21 GLY N N 15 110.861 0.013 A 22 SER H H 1 8.204 0.005 A 22 SER HA H 1 4.502 0 A 22 SER HBx H 1 3.906 0 A 22 SER CA C 13 58.914 0 A 22 SER CB C 13 64.626 0 A 22 SER N N 15 115.191 0.01 A 23 GLY H H 1 8.525 0.001 A 23 GLY HAx H 1 3.908 0 A 23 GLY CA C 13 45.976 0 A 23 GLY N N 15 110.834 0.006 A 24 GLY H H 1 8.384 0.009 A 24 GLY HAy H 1 4.619 0 A 24 GLY HAx H 1 3.81 0 A 24 GLY CA C 13 46.123 0 A 24 GLY N N 15 108.051 0.008 A 25 ALA H H 1 8.774 0.015 A 25 ALA HA H 1 5.031 0 A 25 ALA HB% H 1 1.579 0 A 25 ALA CA C 13 56.299 0 A 25 ALA CB C 13 20.099 0 A 25 ALA N N 15 121.945 0.004 A 26 HIS H H 1 8.365 0.003 A 26 HIS HA H 1 4.401 0 A 26 HIS HBx H 1 3.237 0 A 26 HIS CA C 13 59.177 0 A 26 HIS CB C 13 28.909 0 A 26 HIS N N 15 110.719 0.015 A 27 LYS H H 1 7.753 0.002 A 27 LYS HA H 1 4.237 0 A 27 LYS HGx H 1 1.456 0 A 27 LYS CA C 13 55.28 0 A 27 LYS CB C 13 33.147 0 A 27 LYS N N 15 116.609 0.009 A 28 VAL H H 1 7.378 0.002 A 28 VAL HA H 1 4.25 0 A 28 VAL HB H 1 1.949 0 A 28 VAL HGx% H 1 0.853 0 A 28 VAL HGy% H 1 0.21 0 A 28 VAL CA C 13 63.343 0 A 28 VAL CB C 13 32.182 0 A 28 VAL N N 15 123.534 0 A 29 ARG H H 1 7.875 0.002 A 29 ARG HA H 1 5.086 0 A 29 ARG HBx H 1 1.853 0 A 29 ARG HDy H 1 3.141 0 A 29 ARG HDx H 1 2.853 0 A 29 ARG HGx H 1 1.607 0 A 29 ARG CA C 13 54.582 0 A 29 ARG CB C 13 35.089 0 A 29 ARG N N 15 123.451 0.003 A 30 ALA H H 1 8.839 0.017 A 30 ALA HA H 1 5.675 0 A 30 ALA HB% H 1 1.264 0 A 30 ALA CA C 13 51.063 0 A 30 ALA CB C 13 24.298 0 A 30 ALA N N 15 124.457 0 A 31 GLY H H 1 8.625 0.004 A 31 GLY HAx H 1 4.182 0 A 31 GLY CA C 13 46.77 0 A 31 GLY N N 15 106.269 0.005 A 32 GLY H H 1 7.572 0.009 A 32 GLY HAy H 1 4.305 0 A 32 GLY HAx H 1 3.401 0 A 32 GLY CA C 13 45.529 0 A 32 GLY N N 15 105.439 0 A 34 GLY H H 1 8.711 0.005 A 34 GLY HAy H 1 4.276 0 A 34 GLY HAx H 1 3.769 0 A 34 GLY CA C 13 45.02 0 A 34 GLY N N 15 106.56 0.021 A 35 LEU H H 1 8.256 0.008 A 35 LEU HA H 1 5.346 0 A 35 LEU HBx H 1 2.36 0 A 35 LEU CA C 13 54.728 0 A 35 LEU CB C 13 42.156 0 A 35 LEU N N 15 120.249 0.004 A 38 ALA H H 1 7.964 0.024 A 38 ALA HA H 1 4.249 0 A 38 ALA HB% H 1 1.382 0 A 38 ALA CA C 13 51.565 0 A 38 ALA CB C 13 23.619 0 A 38 ALA N N 15 121.682 0.012 A 39 GLU H H 1 9.232 0.002 A 39 GLU HA H 1 4.552 0 A 39 GLU HBx H 1 1.675 0 A 39 GLU HGx H 1 2.072 0 A 39 GLU CA C 13 54.623 0 A 39 GLU CB C 13 33.629 0 A 39 GLU N N 15 120.763 0 A 40 ALA H H 1 8.378 0.003 A 40 ALA HA H 1 3.62 0 A 40 ALA HB% H 1 1.004 0 A 40 ALA CA C 13 53.912 0 A 40 ALA CB C 13 18.153 0 A 40 ALA N N 15 127.486 0.031 A 41 GLY H H 1 8.669 0.015 A 41 GLY HAy H 1 4.086 0 A 41 GLY HAx H 1 3.36 0 A 41 GLY CA C 13 46.075 0 A 41 GLY N N 15 108.41 0.013 A 42 VAL H H 1 7.636 0.005 A 42 VAL HA H 1 4.387 0 A 42 VAL HB H 1 1.935 0 A 42 VAL HGx% H 1 0.675 0 A 42 VAL CA C 13 59.646 0 A 42 VAL CB C 13 34.765 0 A 42 VAL N N 15 122.839 0 A 44 ALA H H 1 8.971 0.003 A 44 ALA HA H 1 4.524 0 A 44 ALA HB% H 1 0.648 0 A 44 ALA CA C 13 50.799 0 A 44 ALA CB C 13 20.56 0 A 44 ALA N N 15 131.517 0.004 A 45 GLU H H 1 8.342 0.002 A 45 GLU HA H 1 4.524 0 A 45 GLU HGx H 1 1.977 0 A 45 GLU CA C 13 55.545 0 A 45 GLU CB C 13 34.14 0 A 45 GLU N N 15 118.846 0.077 A 47 SER H H 1 9.25 0.006 A 47 SER HA H 1 4.675 0 A 47 SER HBx H 1 3.552 0 A 47 SER CA C 13 57.383 0 A 47 SER CB C 13 66.19 0 A 47 SER N N 15 123.045 0.085 A 49 TRP H H 1 9.576 0.002 A 49 TRP HA H 1 4.743 0 A 49 TRP HBx H 1 3.196 0 A 49 TRP HD1 H 1 7.318 0 A 49 TRP HE1 H 1 8.538 0 A 49 TRP CA C 13 59.4 0 A 49 TRP CB C 13 30.708 0 A 49 TRP N N 15 128.551 0.072 A 50 THR H H 1 8.427 0.006 A 50 THR HA H 1 4.88 0 A 50 THR HG2% H 1 0.867 0 A 50 THR CA C 13 62.48 0 A 50 THR CB C 13 69.977 0 A 50 THR N N 15 114.14 0.122 A 53 ALA H H 1 7.63 0.002 A 53 ALA HA H 1 3.922 0 A 53 ALA HB% H 1 0.648 0 A 53 ALA CA C 13 53.706 0 A 53 ALA CB C 13 21.801 0 A 53 ALA N N 15 120.979 0 A 54 GLY H H 1 7.488 0.004 A 54 GLY HAy H 1 4.168 0 A 54 GLY HAx H 1 3.743 0 A 54 GLY CA C 13 44.987 0 A 54 GLY N N 15 105.299 0.038 A 55 ALA H H 1 8.179 0.007 A 55 ALA HA H 1 4.374 0 A 55 ALA HB% H 1 1.292 0 A 55 ALA CA C 13 52.462 0 A 55 ALA CB C 13 20.5 0 A 55 ALA N N 15 122.162 0.011 A 56 GLY H H 1 8.183 0.001 A 56 GLY HAy H 1 3.826 0 A 56 GLY HAx H 1 3.565 0 A 56 GLY CA C 13 46.697 0 A 56 GLY N N 15 108.34 0.008 A 57 GLY H H 1 8.699 0.005 A 57 GLY HAy H 1 4.88 0 A 57 GLY HAx H 1 4.127 0 A 57 GLY CA C 13 45.522 0 A 57 GLY N N 15 111.878 0.001 A 58 LEU H H 1 8.025 0.007 A 58 LEU HA H 1 3.853 0 A 58 LEU HBx H 1 1.73 0 A 58 LEU HDx% H 1 0.771 0 A 58 LEU HG H 1 1.497 0 A 58 LEU CA C 13 55.75 0 A 58 LEU CB C 13 43.06 0 A 58 LEU N N 15 121.548 0 A 59 ALA H H 1 9.06 0.005 A 59 ALA HA H 1 5.127 0 A 59 ALA HB% H 1 1.168 0 A 59 ALA CA C 13 51.515 0 A 59 ALA CB C 13 23.129 0 A 59 ALA N N 15 128.039 0.118 A 60 ILE H H 1 8.634 0.005 A 60 ILE HA H 1 5.113 0 A 60 ILE HG1x H 1 0.84 0 A 60 ILE CA C 13 59.738 0 A 60 ILE CB C 13 41.207 0 A 60 ILE N N 15 124.014 0 A 61 ALA H H 1 8.824 0.012 A 61 ALA HA H 1 5.483 0 A 61 ALA HB% H 1 1.292 0 A 61 ALA CA C 13 50.885 0 A 61 ALA CB C 13 23.48 0 A 61 ALA N N 15 127.294 0 A 62 VAL H H 1 8.891 0.003 A 62 VAL HA H 1 5.456 0 A 62 VAL HB H 1 1.292 0 A 62 VAL HGx% H 1 0.634 0 A 62 VAL HGy% H 1 0.429 0 A 62 VAL CA C 13 61.882 0 A 62 VAL CB C 13 35.016 0 A 62 VAL N N 15 119.823 0 A 63 GLU H H 1 9.264 0.003 A 63 GLU HA H 1 4.866 0 A 63 GLU HBx H 1 1.903 0 A 63 GLU HGx H 1 2.109 0 A 63 GLU CA C 13 54.507 0 A 63 GLU CB C 13 34.724 0 A 63 GLU N N 15 129.068 0.007 A 64 GLY H H 1 8.739 0.009 A 64 GLY HAx H 1 3.839 0 A 64 GLY CA C 13 46.891 0 A 64 GLY N N 15 110.939 0 A 66 SER H H 1 7.387 0.012 A 66 SER HA H 1 4.237 0 A 66 SER CA C 13 58.551 0 A 66 SER CB C 13 66.322 0 A 66 SER N N 15 110.061 0 A 67 LYS H H 1 8.22 0.001 A 67 LYS HA H 1 3.976 0 A 67 LYS HBx H 1 1.634 0 A 67 LYS HGx H 1 1.209 0 A 67 LYS CA C 13 57.006 0 A 67 LYS CB C 13 33.504 0 A 67 LYS N N 15 120.612 0.002 A 68 ALA H H 1 8.726 0.022 A 68 ALA HA H 1 4.393 0.487 A 68 ALA HB% H 1 1.104 0.018 A 68 ALA CA C 13 51.492 0 A 68 ALA CB C 13 21.265 0 A 68 ALA N N 15 128.25 0.124 A 69 GLU H H 1 8.298 0.003 A 69 GLU HA H 1 4.867 0 A 69 GLU HBx H 1 1.785 0 A 69 GLU HGx H 1 2.155 0 A 69 GLU CA C 13 56.101 0 A 69 GLU CB C 13 31.292 0 A 69 GLU N N 15 122.413 0 A 71 SER H H 1 8.833 0.006 A 71 SER HA H 1 5.415 0 A 71 SER HBy H 1 3.316 0 A 71 SER HBx H 1 2.767 0 A 71 SER CA C 13 57.817 0 A 71 SER CB C 13 66.715 0 A 71 SER N N 15 115.526 0 A 72 PHE H H 1 8.388 0.007 A 72 PHE HA H 1 4.941 0.295 A 72 PHE HBy H 1 2.961 0.094 A 72 PHE HBx H 1 2.708 0.019 A 72 PHE HDx H 1 7.006 0 A 72 PHE CA C 13 57.302 0 A 72 PHE CB C 13 43.181 0 A 72 PHE N N 15 120.713 0.325 A 73 GLU H H 1 8.642 0.015 A 73 GLU HA H 1 4.414 0 A 73 GLU HBx H 1 1.629 0 A 73 GLU HGx H 1 1.848 0 A 73 GLU CA C 13 55.316 0 A 73 GLU CB C 13 33.621 0 A 73 GLU N N 15 123.933 0.006 A 77 ASP H H 1 8.739 0.007 A 77 ASP HA H 1 4.743 0 A 77 ASP HBx H 1 2.712 0 A 77 ASP CA C 13 53.845 0 A 77 ASP CB C 13 39.504 0 A 77 ASP N N 15 120.439 0.013 A 78 GLY H H 1 8.444 0.011 A 78 GLY HAy H 1 4.249 0 A 78 GLY HAx H 1 3.837 0 A 78 GLY CA C 13 46.05 0 A 78 GLY N N 15 108.492 0.01 A 79 SER H H 1 8.06 0.002 A 79 SER HA H 1 4.316 0 A 79 SER HBx H 1 3.781 0 A 79 SER CA C 13 58.972 0 A 79 SER CB C 13 64.492 0 A 79 SER N N 15 115.361 0.002 A 82 VAL H H 1 8.34 0.007 A 82 VAL HA H 1 4.456 0 A 82 VAL HGx% H 1 0.36 0 A 82 VAL HGy% H 1 -0.078 0 A 82 VAL CA C 13 60.86 0 A 82 VAL CB C 13 34.446 0 A 82 VAL N N 15 124.118 0 A 83 ALA H H 1 8.474 0.001 A 83 ALA HA H 1 5.292 0 A 83 ALA HB% H 1 0.943 0 A 83 ALA CA C 13 50.683 0 A 83 ALA CB C 13 22.736 0 A 83 ALA N N 15 127.11 0.002 A 84 TYR H H 1 8.699 0.007 A 84 TYR HA H 1 4.894 0 A 84 TYR HBx H 1 2.565 0 A 84 TYR CA C 13 55.518 0 A 84 TYR CB C 13 43.559 0 A 84 TYR N N 15 117.895 0.003 A 85 VAL H H 1 8.258 0.003 A 85 VAL HA H 1 4.278 0 A 85 VAL HB H 1 1.675 0 A 85 VAL HGx% H 1 0.538 0 A 85 VAL CA C 13 61.079 0 A 85 VAL CB C 13 35.732 0 A 85 VAL N N 15 117.997 0.007 A 86 VAL H H 1 8.682 0.003 A 86 VAL HA H 1 4.223 0 A 86 VAL CA C 13 58.976 0 A 86 VAL CB C 13 33.875 0 A 86 VAL N N 15 121.174 0 A 87 GLN H H 1 7.822 0.006 A 87 GLN HA H 1 4.647 0 A 87 GLN HBx H 1 1.771 0 A 87 GLN HE2x H 1 6.894 0 A 87 GLN HGx H 1 2.237 0 A 87 GLN CA C 13 57.151 0 A 87 GLN CB C 13 31.073 0 A 87 GLN N N 15 117.576 0 A 90 GLY H H 1 9.086 0.006 A 90 GLY HAy H 1 4.25 0 A 90 GLY HAx H 1 3.25 0 A 90 GLY CA C 13 47.031 0 A 90 GLY N N 15 102.692 0 A 92 TYR H H 1 8.765 0.016 A 92 TYR HA H 1 5.031 0 A 92 TYR HBy H 1 2.812 0 A 92 TYR HBx H 1 2.456 0 A 92 TYR HDx H 1 6.757 0 A 92 TYR CA C 13 56.709 0 A 92 TYR CB C 13 41.136 0 A 92 TYR N N 15 121.882 0 A 93 GLU H H 1 9.138 0.009 A 93 GLU HA H 1 5.031 0 A 93 GLU HBx H 1 1.917 0 A 93 GLU HGx H 1 2.136 0 A 93 GLU CA C 13 55.463 0 A 93 GLU CB C 13 33.106 0 A 93 GLU N N 15 120.232 0.022 A 94 VAL H H 1 9.734 0.012 A 94 VAL HA H 1 5.236 0 A 94 VAL HB H 1 1.894 0 A 94 VAL HGx% H 1 0.525 0 A 94 VAL CA C 13 61.766 0 A 94 VAL CB C 13 33.206 0 A 94 VAL N N 15 130.565 0.005 A 95 SER H H 1 9.675 0.003 A 95 SER HA H 1 4.88 0 A 95 SER HBx H 1 3.728 0 A 95 SER CA C 13 57.449 0 A 95 SER CB C 13 66.127 0 A 95 SER N N 15 122.611 0.019 A 96 VAL H H 1 9.327 0.004 A 96 VAL HA H 1 5.154 0 A 96 VAL HB H 1 2.072 0 A 96 VAL HGx% H 1 0.908 0 A 96 VAL CA C 13 62.004 0 A 96 VAL CB C 13 34.456 0 A 96 VAL N N 15 124.56 0.002 A 97 LYS H H 1 8.888 0.003 A 97 LYS HA H 1 5.099 0 A 97 LYS HBx H 1 1.401 0 A 97 LYS CA C 13 54.582 0 A 97 LYS CB C 13 37.571 0 A 97 LYS N N 15 123.59 0 A 98 PHE H H 1 9.05 0.009 A 98 PHE HA H 1 5.086 0 A 98 PHE HBy H 1 2.809 0 A 98 PHE HBx H 1 2.411 0 A 98 PHE HDx H 1 7.459 0 A 98 PHE CA C 13 56.493 0 A 98 PHE CB C 13 43.843 0 A 98 PHE N N 15 123.231 0.008 A 99 ASN H H 1 9.32 0.01 A 99 ASN HA H 1 4.278 0 A 99 ASN HBx H 1 2.716 0 A 99 ASN HBy H 1 2.935 0 A 99 ASN CA C 13 54.682 0 A 99 ASN CB C 13 36.815 0 A 99 ASN N N 15 128.486 0 A 100 GLU H H 1 8.864 0.004 A 100 GLU HA H 1 3.401 0 A 100 GLU HBx H 1 1.922 0 A 100 GLU HGx H 1 2.1 0 A 100 GLU CA C 13 58.419 0 A 100 GLU CB C 13 27.437 0 A 100 GLU N N 15 105.597 0.005 A 101 GLU H H 1 7.461 0.009 A 101 GLU HA H 1 4.689 0 A 101 GLU HBx H 1 1.963 0 A 101 GLU HGx H 1 2.305 0 A 101 GLU CA C 13 54.947 0 A 101 GLU CB C 13 33.395 0 A 101 GLU N N 15 119.92 0 A 102 HIS H H 1 8.76 0.002 A 102 HIS HA H 1 4.689 0 A 102 HIS CA C 13 59.692 0 A 102 HIS CB C 13 33.117 0 A 102 HIS N N 15 123.119 0.001 A 103 ILE H H 1 8.024 0.003 A 103 ILE HA H 1 4.401 0 A 103 ILE HB H 1 2.113 0 A 103 ILE CA C 13 61.284 0 A 103 ILE CB C 13 35.7 0 A 103 ILE N N 15 118.004 0 A 105 ASP H H 1 7.992 0.006 A 105 ASP HA H 1 3.812 0 A 105 ASP HBx H 1 3.278 0 A 105 ASP CA C 13 57.375 0 A 105 ASP CB C 13 40.313 0 A 105 ASP N N 15 114.791 0.005 A 106 SER H H 1 7.405 0.012 A 106 SER HA H 1 3.728 0 A 106 SER CA C 13 55.326 0 A 106 SER CB C 13 63.781 0 A 106 SER N N 15 111.905 0.005 A 108 PHE H H 1 9.303 0.004 A 108 PHE HA H 1 5.182 0 A 108 PHE HBx H 1 2.867 0 A 108 PHE HDx H 1 7.195 0 A 108 PHE CA C 13 57.091 0 A 108 PHE CB C 13 41.002 0 A 108 PHE N N 15 121.463 0 A 109 VAL H H 1 8.723 0.007 A 109 VAL HA H 1 4.661 0 A 109 VAL HB H 1 1.894 0 A 109 VAL HGx% H 1 0.785 0 A 109 VAL CA C 13 63.092 0 A 109 VAL CB C 13 32.022 0 A 109 VAL N N 15 124.573 0.007 A 110 VAL H H 1 9.436 0.007 A 110 VAL HA H 1 4.552 0 A 110 VAL HB H 1 1.812 0 A 110 VAL HGx% H 1 0.703 0 A 110 VAL CA C 13 60.203 0 A 110 VAL CB C 13 35.746 0 A 110 VAL N N 15 131.986 0 A 112 VAL H H 1 9.099 0.01 A 112 VAL HA H 1 4.963 0 A 112 VAL HB H 1 2.305 0 A 112 VAL HGx% H 1 0.73 0 A 112 VAL HGy% H 1 0.483 0 A 112 VAL CA C 13 62.247 0 A 112 VAL CB C 13 32.282 0 A 112 VAL N N 15 126.199 0.001 A 113 ALA H H 1 8.494 0.007 A 113 ALA HA H 1 4.441 0 A 113 ALA HB% H 1 1.497 0 A 113 ALA CA C 13 51.647 0 A 113 ALA CB C 13 22.12 0 A 113 ALA N N 15 131.622 0 A 114 SER H H 1 8.613 0.003 A 114 SER HA H 1 4.634 0 A 114 SER HBx H 1 3.812 0 A 114 SER CA C 13 58.086 0 A 114 SER CB C 13 63.489 0 A 114 SER N N 15 116.195 0.012 A 116 SER H H 1 8.036 0.015 A 116 SER HA H 1 4.195 0 A 116 SER HBx H 1 3.798 0 A 116 SER CA C 13 60.532 0 A 116 SER CB C 13 65.635 0 A 116 SER N N 15 122.538 0 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 8 THR H A 8 THR HG2% 1.0 . 3.50 2 2 A 8 THR H A 7 THR H 1.0 . 3.50 3 3 A 7 THR H A 6 ALA HB% 1.0 . 3.50 4 4 A 7 THR H A 7 THR HG2% 1.0 . 3.50 5 5 A 5 SER HBx A 6 ALA H 1.0 . 3.50 6 6 A 53 ALA H A 21 GLY H 1.0 . 3.50 7 7 A 21 GLY H A 53 ALA HB% 1.0 . 4.00 8 8 A 56 GLY H A 11 MET H 1.0 . 3.00 9 9 A 58 LEU H A 10 VAL HA 1.0 . 3.00 10 10 A 59 ALA HA A 9 THR H 1.0 . 3.00 11 11 A 59 ALA HA A 8 THR HA 1.0 . 3.00 12 12 A 7 THR H A 60 ILE H 1.0 . 3.00 13 13 A 7 THR H A 61 ALA HA 1.0 . 3.00 14 14 A 62 VAL H A 6 ALA HA 1.0 . 3.00 15 15 A 64 GLY H A 2 LEU HA 1.0 . 3.00 16 16 A 64 GLY H A 4 LYS H 1.0 . 3.00 17 17 A 64 GLY H A 4 LYS HBx 1.0 . 3.00 18 18 A 64 GLY H A 4 LYS HGx 1.0 . 3.00 19 19 A 7 THR H A 60 ILE HB 1.0 . 3.00 20 20 A 62 VAL HB A 5 SER H 1.0 . 3.00 21 21 A 61 ALA HB% A 6 ALA HB% 1.0 . 3.00 22 22 A 23 GLY H A 24 GLY H 1.0 . 4.48 23 23 A 24 GLY H A 23 GLY HAx 1.0 . 2.92 24 23 A 24 GLY H A 23 GLY HAy 1.0 . 2.92 25 24 A 27 LYS H A 23 GLY HAx 1.0 . 4.82 26 24 A 23 GLY HAy A 27 LYS H 1.0 . 4.82 27 25 A 23 GLY HAx A 27 LYS HBx 1.0 . 4.75 28 25 A 27 LYS HBy A 23 GLY HAx 1.0 . 4.75 29 25 A 23 GLY HAy A 27 LYS HBy 1.0 . 4.75 30 25 A 23 GLY HAy A 27 LYS HBx 1.0 . 4.75 31 26 A 23 GLY HAx A 27 LYS HGy 1.0 . 3.74 32 26 A 23 GLY HAy A 27 LYS HGy 1.0 . 3.74 33 26 A 27 LYS HGx A 23 GLY HAx 1.0 . 3.74 34 26 A 23 GLY HAy A 27 LYS HGx 1.0 . 3.74 35 27 A 23 GLY HAy A 27 LYS HDx 1.0 . 4.18 36 27 A 23 GLY HAx A 27 LYS HDx 1.0 . 4.18 37 27 A 27 LYS HDy A 23 GLY HAx 1.0 . 4.18 38 27 A 23 GLY HAy A 27 LYS HDy 1.0 . 4.18 39 28 A 24 GLY H A 25 ALA H 1.0 . 4.15 40 29 A 25 ALA H A 24 GLY HAy 1.0 . 2.97 41 29 A 25 ALA H A 24 GLY HAx 1.0 . 2.97 42 30 A 26 HIS HE1 A 24 GLY HAy 1.0 . 4.26 43 30 A 24 GLY HAx A 26 HIS HE1 1.0 . 4.26 44 31 A 24 GLY H A 27 LYS HBx 1.0 . 4.79 45 31 A 24 GLY H A 27 LYS HBy 1.0 . 4.79 46 32 A 53 ALA HB% A 24 GLY H 1.0 . 4.30 47 33 A 24 GLY H A 53 ALA HA 1.0 . 4.52 48 34 A 98 PHE HE% A 24 GLY HAy 1.0 . 4.26 49 34 A 24 GLY HAx A 98 PHE HE% 1.0 . 4.26 50 35 A 25 ALA H A 25 ALA HB% 1.0 . 3.00 51 36 A 25 ALA H A 26 HIS H 1.0 . 3.63 52 37 A 25 ALA HB% A 26 HIS H 1.0 . 3.44 53 38 A 25 ALA HB% A 26 HIS HA 1.0 . 4.86 54 39 A 25 ALA HA A 28 VAL H 1.0 . 4.52 55 40 A 25 ALA HA A 28 VAL HB 1.0 . 4.63 56 41 A 25 ALA HA A 28 VAL HGy% 1.0 . 3.58 57 42 A 25 ALA HB% A 28 VAL HGy% 1.0 . 4.40 58 43 A 25 ALA HB% A 98 PHE H 1.0 . 3.87 59 44 A 25 ALA HA A 98 PHE HBy 1.0 . 4.04 60 45 A 25 ALA HA A 98 PHE HBx 1.0 . 4.04 61 46 A 25 ALA HA A 98 PHE HD% 1.0 . 3.94 62 47 A 25 ALA HB% A 98 PHE HBy 1.0 . 4.13 63 48 A 25 ALA HB% A 98 PHE HBx 1.0 . 4.13 64 49 A 25 ALA HB% A 98 PHE HD% 1.0 . 3.80 65 50 A 25 ALA HA A 98 PHE HBx 1.0 . 3.44 66 50 A 25 ALA HA A 98 PHE HBy 1.0 . 3.44 67 51 A 25 ALA HB% A 98 PHE HBx 1.0 . 3.34 68 51 A 25 ALA HB% A 98 PHE HBy 1.0 . 3.34 69 52 A 25 ALA HB% A 101 GLU H 1.0 . 4.64 70 53 A 25 ALA H A 101 GLU HBy 1.0 . 4.38 71 54 A 25 ALA HB% A 101 GLU HBy 1.0 . 3.53 72 55 A 25 ALA HB% A 101 GLU HBx 1.0 . 3.46 73 56 A 25 ALA HB% A 101 GLU HGy 1.0 . 4.49 74 57 A 25 ALA HB% A 101 GLU HGx 1.0 . 4.51 75 58 A 25 ALA HA A 103 ILE HG21 1.0 . 3.63 76 59 A 25 ALA HB% A 103 ILE HA 1.0 . 3.47 77 60 A 25 ALA HB% A 103 ILE HG21 1.0 . 3.29 78 61 A 26 HIS H A 26 HIS HBx 1.0 . 3.67 79 62 A 26 HIS H A 26 HIS HBy 1.0 . 3.67 80 63 A 26 HIS H A 26 HIS HD2 1.0 . 5.14 81 64 A 26 HIS H A 26 HIS HBy 1.0 . 3.10 82 64 A 26 HIS H A 26 HIS HBx 1.0 . 3.10 83 65 A 27 LYS H A 26 HIS H 1.0 . 3.34 84 66 A 27 LYS H A 26 HIS HBx 1.0 . 4.65 85 67 A 27 LYS H A 26 HIS HBy 1.0 . 4.65 86 68 A 27 LYS HGx A 26 HIS HD2 1.0 . 4.83 87 69 A 26 HIS HD2 A 27 LYS HGy 1.0 . 4.83 88 70 A 26 HIS HD2 A 27 LYS HEy 1.0 . 4.92 89 71 A 26 HIS HD2 A 27 LYS HEx 1.0 . 4.89 90 72 A 26 HIS HE1 A 27 LYS HEy 1.0 . 5.32 91 73 A 26 HIS HD2 A 27 LYS HGy 1.0 . 4.24 92 73 A 27 LYS HGx A 26 HIS HD2 1.0 . 4.24 93 74 A 26 HIS HA A 103 ILE HB 1.0 . 4.73 94 75 A 26 HIS HA A 103 ILE HG21 1.0 . 3.87 95 76 A 26 HIS HA A 104 PRO HBx 1.0 . 5.19 96 77 A 26 HIS HA A 104 PRO HBy 1.0 . 4.54 97 78 A 26 HIS HA A 104 PRO HGx 1.0 . 3.83 98 79 A 26 HIS HA A 104 PRO HGy 1.0 . 4.04 99 80 A 26 HIS HA A 104 PRO HDy 1.0 . 3.84 100 81 A 26 HIS HA A 104 PRO HDx 1.0 . 3.75 101 82 A 26 HIS HBx A 104 PRO HBy 1.0 . 5.50 102 83 A 26 HIS HBx A 104 PRO HGx 1.0 . 5.50 103 84 A 104 PRO HBy A 26 HIS HBy 1.0 . 5.50 104 85 A 104 PRO HGx A 26 HIS HBy 1.0 . 5.50 105 86 A 26 HIS HBx A 104 PRO HDx 1.0 . 5.15 106 87 A 104 PRO HDx A 26 HIS HBy 1.0 . 5.15 107 88 A 104 PRO HGy A 26 HIS HBy 1.0 . 4.84 108 88 A 26 HIS HBx A 104 PRO HGy 1.0 . 4.84 109 89 A 104 PRO HDx A 26 HIS HBy 1.0 . 4.54 110 89 A 26 HIS HBx A 104 PRO HDx 1.0 . 4.54 111 90 A 27 LYS H A 27 LYS HBx 1.0 . 3.66 112 91 A 27 LYS H A 27 LYS HBy 1.0 . 3.66 113 92 A 27 LYS H A 27 LYS HGx 1.0 . 3.77 114 93 A 27 LYS H A 27 LYS HGy 1.0 . 3.77 115 94 A 27 LYS HGx A 27 LYS HA 1.0 . 3.89 116 95 A 27 LYS HA A 27 LYS HGy 1.0 . 3.89 117 96 A 27 LYS HA A 27 LYS HDx 1.0 . 4.09 118 97 A 27 LYS HDy A 27 LYS HA 1.0 . 4.09 119 98 A 27 LYS HEy A 27 LYS HA 1.0 . 4.65 120 99 A 27 LYS HEx A 27 LYS HA 1.0 . 4.61 121 100 A 27 LYS HEy A 27 LYS HBx 1.0 . 4.59 122 101 A 27 LYS HBy A 27 LYS HEy 1.0 . 4.59 123 102 A 27 LYS HEx A 27 LYS HBx 1.0 . 4.57 124 103 A 27 LYS HBy A 27 LYS HEx 1.0 . 4.57 125 104 A 27 LYS HGx A 27 LYS HEy 1.0 . 4.05 126 105 A 27 LYS HEy A 27 LYS HGy 1.0 . 4.05 127 106 A 27 LYS HGx A 27 LYS HEx 1.0 . 4.05 128 107 A 27 LYS HEx A 27 LYS HGy 1.0 . 4.05 129 108 A 27 LYS H A 27 LYS HBx 1.0 . 3.17 130 108 A 27 LYS H A 27 LYS HBy 1.0 . 3.17 131 109 A 27 LYS H A 27 LYS HDx 1.0 . 5.02 132 109 A 27 LYS H A 27 LYS HDy 1.0 . 5.02 133 110 A 27 LYS HA A 27 LYS HGy 1.0 . 3.37 134 110 A 27 LYS HGx A 27 LYS HA 1.0 . 3.37 135 111 A 27 LYS HA A 27 LYS HDx 1.0 . 3.47 136 111 A 27 LYS HDy A 27 LYS HA 1.0 . 3.47 137 112 A 27 LYS HEx A 27 LYS HBx 1.0 . 3.92 138 112 A 27 LYS HBy A 27 LYS HEx 1.0 . 3.92 139 113 A 27 LYS H A 28 VAL HGy% 1.0 . 4.17 140 114 A 27 LYS H A 28 VAL HB 1.0 . 5.12 141 115 A 28 VAL H A 27 LYS HBx 1.0 . 4.89 142 116 A 27 LYS HBy A 28 VAL H 1.0 . 4.89 143 117 A 28 VAL H A 27 LYS HBx 1.0 . 4.18 144 117 A 27 LYS HBy A 28 VAL H 1.0 . 4.18 145 118 A 28 VAL HA A 27 LYS HBx 1.0 . 4.88 146 118 A 27 LYS HBy A 28 VAL HA 1.0 . 4.88 147 119 A 28 VAL HGy% A 27 LYS HBx 1.0 . 4.78 148 119 A 27 LYS HBy A 28 VAL HGy% 1.0 . 4.78 149 120 A 27 LYS HDx A 52 GLU HBx 1.0 . 4.28 150 120 A 27 LYS HDy A 52 GLU HBx 1.0 . 4.28 151 120 A 52 GLU HBy A 27 LYS HDx 1.0 . 4.28 152 120 A 27 LYS HDy A 52 GLU HBy 1.0 . 4.28 153 121 A 53 ALA HA A 27 LYS HBx 1.0 . 4.37 154 122 A 27 LYS HBy A 53 ALA HA 1.0 . 4.37 155 123 A 53 ALA HA A 27 LYS HBx 1.0 . 3.67 156 123 A 27 LYS HBy A 53 ALA HA 1.0 . 3.67 157 124 A 53 ALA HB% A 27 LYS HBx 1.0 . 4.29 158 124 A 53 ALA HB% A 27 LYS HBy 1.0 . 4.29 159 125 A 53 ALA HA A 27 LYS HGy 1.0 . 4.41 160 125 A 27 LYS HGx A 53 ALA HA 1.0 . 4.41 161 126 A 28 VAL H A 28 VAL HB 1.0 . 3.52 162 127 A 28 VAL H A 28 VAL HGx% 1.0 . 4.26 163 128 A 28 VAL H A 28 VAL HGy% 1.0 . 3.66 164 129 A 28 VAL HA A 28 VAL HGx% 1.0 . 3.62 165 130 A 28 VAL HGy% A 28 VAL HA 1.0 . 3.71 166 131 A 28 VAL HGx% A 29 ARG H 1.0 . 4.02 167 132 A 28 VAL HGy% A 29 ARG H 1.0 . 4.95 168 133 A 28 VAL HGx% A 50 THR HG2% 1.0 . 3.35 169 134 A 28 VAL HGy% A 50 THR HG2% 1.0 . 3.88 170 135 A 28 VAL HGy% A 50 THR HA 1.0 . 4.15 171 136 A 28 VAL HGx% A 50 THR HA 1.0 . 4.24 172 137 A 53 ALA HB% A 28 VAL HA 1.0 . 4.78 173 138 A 53 ALA HB% A 28 VAL HGy% 1.0 . 3.38 174 139 A 28 VAL HGy% A 98 PHE HBy 1.0 . 4.26 175 140 A 28 VAL HGy% A 98 PHE HBx 1.0 . 4.26 176 141 A 28 VAL HGy% A 98 PHE HD% 1.0 . 4.18 177 142 A 28 VAL HGy% A 98 PHE HBx 1.0 . 3.71 178 142 A 28 VAL HGy% A 98 PHE HBy 1.0 . 3.71 179 143 A 28 VAL H A 103 ILE HG21 1.0 . 4.13 180 144 A 28 VAL HB A 103 ILE HB 1.0 . 4.65 181 145 A 28 VAL HB A 103 ILE HG21 1.0 . 3.23 182 146 A 28 VAL HB A 103 ILE HD11 1.0 . 4.05 183 147 A 103 ILE HG21 A 28 VAL HGx% 1.0 . 3.03 184 148 A 28 VAL HGy% A 103 ILE HG21 1.0 . 3.45 185 149 A 29 ARG HA A 29 ARG HDy 1.0 . 4.80 186 150 A 29 ARG HA A 29 ARG HDx 1.0 . 4.80 187 151 A 29 ARG HA A 29 ARG HDx 1.0 . 4.07 188 151 A 29 ARG HA A 29 ARG HDy 1.0 . 4.07 189 152 A 30 ALA H A 29 ARG HBx 1.0 . 4.58 190 152 A 29 ARG HBy A 30 ALA H 1.0 . 4.58 191 153 A 29 ARG HA A 30 ALA HB% 1.0 . 4.71 192 154 A 29 ARG HA A 103 ILE HG1x 1.0 . 4.47 193 154 A 29 ARG HA A 103 ILE HG1y 1.0 . 4.47 194 155 A 30 ALA H A 30 ALA HB% 1.0 . 3.84 195 156 A 30 ALA HB% A 31 GLY H 1.0 . 3.87 196 157 A 30 ALA HB% A 35 LEU HD11 1.0 . 3.13 197 158 A 30 ALA HB% A 35 LEU HD21 1.0 . 4.32 198 159 A 30 ALA HB% A 46 PHE HD% 1.0 . 4.27 199 160 A 30 ALA HB% A 46 PHE HE% 1.0 . 4.65 200 161 A 30 ALA HA A 48 ILE HA 1.0 . 4.02 201 162 A 30 ALA HB% A 48 ILE HA 1.0 . 4.18 202 163 A 30 ALA HA A 48 ILE HG21 1.0 . 4.72 203 164 A 103 ILE HD11 A 30 ALA HB% 1.0 . 3.43 204 165 A 103 ILE HD11 A 30 ALA H 1.0 . 4.61 205 166 A 30 ALA H A 108 PHE HE% 1.0 . 4.78 206 167 A 30 ALA HB% A 108 PHE HE% 1.0 . 4.14 207 168 A 30 ALA HB% A 108 PHE HD% 1.0 . 4.89 208 169 A 31 GLY H A 35 LEU HD11 1.0 . 4.64 209 170 A 35 LEU HD11 A 31 GLY HAx 1.0 . 3.68 210 170 A 35 LEU HD11 A 31 GLY HAy 1.0 . 3.68 211 171 A 35 LEU HD11 A 32 GLY H 1.0 . 4.53 212 172 A 33 PRO HA A 36 GLU HGx 1.0 . 4.77 213 173 A 33 PRO HA A 36 GLU HGy 1.0 . 4.77 214 174 A 33 PRO HA A 36 GLU HBy 1.0 . 4.92 215 174 A 33 PRO HA A 36 GLU HBx 1.0 . 4.92 216 175 A 33 PRO HA A 36 GLU HGy 1.0 . 4.19 217 175 A 33 PRO HA A 36 GLU HGx 1.0 . 4.19 218 176 A 34 GLY H A 35 LEU H 1.0 . 4.27 219 177 A 44 ALA HB% A 34 GLY HAy 1.0 . 3.51 220 177 A 44 ALA HB% A 34 GLY HAx 1.0 . 3.51 221 178 A 84 TYR HE% A 34 GLY HAy 1.0 . 4.32 222 178 A 34 GLY HAx A 84 TYR HE% 1.0 . 4.32 223 179 A 35 LEU H A 35 LEU HBx 1.0 . 4.08 224 180 A 35 LEU H A 35 LEU HBy 1.0 . 4.08 225 181 A 35 LEU H A 35 LEU HG 1.0 . 3.89 226 182 A 35 LEU HD21 A 35 LEU H 1.0 . 4.28 227 183 A 35 LEU HD11 A 35 LEU H 1.0 . 4.34 228 184 A 35 LEU HD11 A 35 LEU HA 1.0 . 3.95 229 185 A 35 LEU HD21 A 35 LEU HA 1.0 . 3.22 230 186 A 35 LEU HD11 A 35 LEU HBx 1.0 . 3.57 231 187 A 35 LEU HD11 A 35 LEU HBy 1.0 . 3.57 232 188 A 35 LEU HD21 A 35 LEU HBx 1.0 . 3.84 233 189 A 35 LEU HD21 A 35 LEU HBy 1.0 . 3.84 234 190 A 35 LEU H A 35 LEU HBy 1.0 . 3.43 235 190 A 35 LEU H A 35 LEU HBx 1.0 . 3.43 236 191 A 35 LEU HD11 A 35 LEU HBy 1.0 . 3.04 237 191 A 35 LEU HD11 A 35 LEU HBx 1.0 . 3.04 238 192 A 35 LEU HD21 A 35 LEU HBy 1.0 . 3.33 239 192 A 35 LEU HD21 A 35 LEU HBx 1.0 . 3.33 240 193 A 35 LEU H A 36 GLU H 1.0 . 3.39 241 194 A 35 LEU H A 36 GLU HBy 1.0 . 5.34 242 194 A 36 GLU HBx A 35 LEU H 1.0 . 5.34 243 195 A 35 LEU H A 36 GLU HGy 1.0 . 4.37 244 195 A 36 GLU HGx A 35 LEU H 1.0 . 4.37 245 196 A 35 LEU H A 37 ARG H 1.0 . 4.53 246 197 A 35 LEU H A 46 PHE HBx 1.0 . 4.60 247 197 A 35 LEU H A 46 PHE HBy 1.0 . 4.60 248 198 A 35 LEU HG A 46 PHE HBx 1.0 . 4.38 249 198 A 35 LEU HG A 46 PHE HBy 1.0 . 4.38 250 199 A 46 PHE HD% A 35 LEU HG 1.0 . 4.94 251 200 A 35 LEU HD11 A 46 PHE HBx 1.0 . 4.15 252 200 A 35 LEU HD11 A 46 PHE HBy 1.0 . 4.15 253 201 A 35 LEU HD11 A 46 PHE HD% 1.0 . 4.21 254 202 A 35 LEU HD21 A 46 PHE HD% 1.0 . 4.38 255 203 A 35 LEU HD21 A 46 PHE HZ 1.0 . 4.90 256 204 A 35 LEU HD21 A 46 PHE HE% 1.0 . 4.35 257 205 A 84 TYR HE% A 35 LEU HA 1.0 . 5.50 258 206 A 35 LEU HD21 A 84 TYR HE% 1.0 . 4.92 259 207 A 35 LEU HD21 A 94 VAL HB 1.0 . 4.09 260 208 A 35 LEU HD21 A 94 VAL HG21 1.0 . 3.79 261 209 A 35 LEU HD21 A 94 VAL HGx% 1.0 . 3.94 262 210 A 35 LEU HD21 A 96 VAL HGx% 1.0 . 3.39 263 211 A 35 LEU HD11 A 96 VAL HGx% 1.0 . 3.72 264 212 A 35 LEU HD11 A 108 PHE HE% 1.0 . 4.13 265 213 A 35 LEU HD11 A 108 PHE HD% 1.0 . 4.66 266 214 A 35 LEU HD21 A 108 PHE HBx 1.0 . 3.80 267 214 A 35 LEU HD21 A 108 PHE HBy 1.0 . 3.80 268 215 A 35 LEU HD21 A 108 PHE HD% 1.0 . 4.05 269 216 A 35 LEU HD11 A 108 PHE HBx 1.0 . 4.72 270 216 A 35 LEU HD11 A 108 PHE HBy 1.0 . 4.72 271 217 A 35 LEU HD21 A 108 PHE HE% 1.0 . 4.49 272 218 A 35 LEU HBx A 108 PHE HBx 1.0 . 4.91 273 218 A 35 LEU HBy A 108 PHE HBx 1.0 . 4.91 274 218 A 108 PHE HBy A 35 LEU HBy 1.0 . 4.91 275 218 A 35 LEU HBx A 108 PHE HBy 1.0 . 4.91 276 219 A 108 PHE HD% A 35 LEU HBy 1.0 . 4.29 277 219 A 108 PHE HD% A 35 LEU HBx 1.0 . 4.29 278 220 A 35 LEU HA A 110 VAL HGx% 1.0 . 3.99 279 221 A 35 LEU HA A 110 VAL HG21 1.0 . 3.41 280 222 A 35 LEU HD21 A 110 VAL HGx% 1.0 . 4.61 281 223 A 35 LEU HD21 A 110 VAL HG21 1.0 . 3.83 282 224 A 36 GLU HGx A 36 GLU H 1.0 . 4.28 283 225 A 36 GLU H A 36 GLU HGy 1.0 . 4.28 284 226 A 36 GLU HA A 36 GLU HGy 1.0 . 4.15 285 227 A 36 GLU HGx A 36 GLU HA 1.0 . 4.15 286 228 A 36 GLU H A 36 GLU HBy 1.0 . 3.67 287 228 A 36 GLU HBx A 36 GLU H 1.0 . 3.67 288 229 A 36 GLU HA A 36 GLU HGy 1.0 . 3.60 289 229 A 36 GLU HGx A 36 GLU HA 1.0 . 3.60 290 230 A 36 GLU H A 37 ARG H 1.0 . 3.38 291 231 A 36 GLU HBx A 37 ARG H 1.0 . 4.05 292 232 A 36 GLU HGx A 37 ARG H 1.0 . 4.64 293 233 A 37 ARG H A 36 GLU HBy 1.0 . 4.05 294 234 A 37 ARG H A 36 GLU HGy 1.0 . 4.64 295 235 A 37 ARG H A 36 GLU HBy 1.0 . 3.54 296 235 A 36 GLU HBx A 37 ARG H 1.0 . 3.54 297 236 A 37 ARG H A 36 GLU HGy 1.0 . 4.02 298 236 A 36 GLU HGx A 37 ARG H 1.0 . 4.02 299 237 A 36 GLU H A 110 VAL HGx% 1.0 . 4.56 300 238 A 37 ARG H A 37 ARG HBx 1.0 . 4.04 301 238 A 37 ARG H A 37 ARG HBy 1.0 . 4.04 302 239 A 37 ARG HA A 37 ARG HGx 1.0 . 4.19 303 240 A 37 ARG HA A 37 ARG HGy 1.0 . 4.19 304 241 A 37 ARG HBx A 37 ARG HDx 1.0 . 3.55 305 241 A 37 ARG HBy A 37 ARG HDx 1.0 . 3.55 306 241 A 37 ARG HDy A 37 ARG HBx 1.0 . 3.55 307 241 A 37 ARG HBy A 37 ARG HDy 1.0 . 3.55 308 242 A 37 ARG H A 37 ARG HGx 1.0 . 5.04 309 243 A 37 ARG H A 37 ARG HGy 1.0 . 5.04 310 244 A 37 ARG H A 37 ARG HGy 1.0 . 4.40 311 244 A 37 ARG H A 37 ARG HGx 1.0 . 4.40 312 245 A 37 ARG HA A 37 ARG HGy 1.0 . 3.68 313 245 A 37 ARG HA A 37 ARG HGx 1.0 . 3.68 314 246 A 37 ARG HA A 38 ALA H 1.0 . 3.18 315 247 A 38 ALA H A 37 ARG HBx 1.0 . 3.57 316 247 A 37 ARG HBy A 38 ALA H 1.0 . 3.57 317 248 A 37 ARG HGx A 38 ALA H 1.0 . 4.11 318 249 A 38 ALA H A 37 ARG HGy 1.0 . 4.11 319 250 A 37 ARG H A 110 VAL HGx% 1.0 . 4.37 320 251 A 110 VAL HGx% A 37 ARG HA 1.0 . 3.39 321 252 A 37 ARG HA A 111 PRO HGx 1.0 . 4.63 322 253 A 37 ARG HA A 111 PRO HGy 1.0 . 4.63 323 254 A 37 ARG HGx A 111 PRO HGy 1.0 . 4.91 324 255 A 111 PRO HGx A 37 ARG HGy 1.0 . 4.91 325 256 A 37 ARG HGy A 111 PRO HGy 1.0 . 4.91 326 257 A 37 ARG HGx A 111 PRO HGx 1.0 . 4.91 327 258 A 37 ARG HA A 111 PRO HGy 1.0 . 3.91 328 258 A 37 ARG HA A 111 PRO HGx 1.0 . 3.91 329 259 A 37 ARG HA A 111 PRO HDy 1.0 . 4.04 330 259 A 37 ARG HA A 111 PRO HDx 1.0 . 4.04 331 260 A 37 ARG HGx A 111 PRO HGy 1.0 . 3.52 332 260 A 37 ARG HGy A 111 PRO HGy 1.0 . 3.52 333 260 A 111 PRO HGx A 37 ARG HGy 1.0 . 3.52 334 260 A 37 ARG HGx A 111 PRO HGx 1.0 . 3.52 335 261 A 113 ALA HB% A 37 ARG HDx 1.0 . 3.96 336 261 A 37 ARG HDy A 113 ALA HB% 1.0 . 3.96 337 262 A 38 ALA HA A 39 GLU H 1.0 . 3.48 338 263 A 38 ALA HA A 39 GLU H 1.0 . 3.48 339 264 A 110 VAL HGx% A 38 ALA H 1.0 . 3.44 340 265 A 110 VAL HGx% A 38 ALA HA 1.0 . 4.58 341 266 A 110 VAL HGx% A 38 ALA HA 1.0 . 4.58 342 267 A 38 ALA H A 112 VAL HA 1.0 . 3.43 343 268 A 38 ALA HA A 112 VAL HA 1.0 . 4.83 344 269 A 38 ALA HA A 112 VAL HA 1.0 . 4.83 345 270 A 38 ALA HA A 112 VAL HGy% 1.0 . 3.97 346 271 A 38 ALA HA A 112 VAL HGy% 1.0 . 3.97 347 272 A 38 ALA HA A 112 VAL HGx% 1.0 . 4.54 348 273 A 38 ALA H A 112 VAL HGy% 1.0 . 4.08 349 274 A 38 ALA HA A 112 VAL HGx% 1.0 . 4.54 350 275 A 38 ALA H A 113 ALA H 1.0 . 4.45 351 276 A 39 GLU H A 39 GLU HBx 1.0 . 3.73 352 277 A 39 GLU H A 39 GLU HBy 1.0 . 3.90 353 278 A 39 GLU H A 39 GLU HGx 1.0 . 4.10 354 278 A 39 GLU H A 39 GLU HGy 1.0 . 4.10 355 279 A 39 GLU HA A 39 GLU HGx 1.0 . 3.60 356 279 A 39 GLU HGy A 39 GLU HA 1.0 . 3.60 357 280 A 39 GLU HA A 40 ALA H 1.0 . 2.89 358 281 A 39 GLU HBy A 40 ALA H 1.0 . 4.00 359 282 A 39 GLU H A 40 ALA H 1.0 . 4.58 360 283 A 39 GLU HBx A 40 ALA H 1.0 . 4.51 361 284 A 40 ALA H A 39 GLU HGx 1.0 . 3.89 362 284 A 39 GLU HGy A 40 ALA H 1.0 . 3.89 363 285 A 40 ALA HB% A 39 GLU HGx 1.0 . 5.50 364 285 A 39 GLU HGy A 40 ALA HB% 1.0 . 5.50 365 286 A 39 GLU HA A 40 ALA HA 1.0 . 4.86 366 287 A 39 GLU H A 42 VAL HB 1.0 . 4.17 367 288 A 39 GLU HBx A 42 VAL H 1.0 . 4.41 368 289 A 39 GLU HBy A 42 VAL H 1.0 . 4.41 369 290 A 39 GLU HA A 42 VAL HB 1.0 . 4.90 370 291 A 39 GLU HBx A 42 VAL HB 1.0 . 3.52 371 292 A 39 GLU HBy A 42 VAL HB 1.0 . 3.49 372 293 A 39 GLU HBy A 42 VAL HGx% 1.0 . 4.29 373 294 A 39 GLU HBx A 42 VAL HGx% 1.0 . 3.75 374 295 A 39 GLU HBx A 42 VAL HG21 1.0 . 3.43 375 296 A 39 GLU HBy A 42 VAL HG21 1.0 . 3.42 376 297 A 42 VAL HG21 A 39 GLU HGx 1.0 . 3.88 377 297 A 39 GLU HGy A 42 VAL HG21 1.0 . 3.88 378 298 A 39 GLU H A 42 VAL HG21 1.0 . 4.73 379 299 A 39 GLU H A 112 VAL HGx% 1.0 . 4.25 380 300 A 112 VAL HA A 39 GLU HA 1.0 . 4.56 381 301 A 112 VAL HGx% A 39 GLU HA 1.0 . 3.74 382 302 A 112 VAL HGx% A 39 GLU HGx 1.0 . 4.52 383 302 A 112 VAL HGx% A 39 GLU HGy 1.0 . 4.52 384 303 A 113 ALA H A 39 GLU HA 1.0 . 3.47 385 304 A 113 ALA H A 39 GLU HBx 1.0 . 5.41 386 305 A 113 ALA H A 39 GLU HGx 1.0 . 3.68 387 305 A 113 ALA H A 39 GLU HGy 1.0 . 3.68 388 306 A 113 ALA HB% A 39 GLU HGx 1.0 . 4.06 389 306 A 113 ALA HB% A 39 GLU HGy 1.0 . 4.06 390 307 A 40 ALA H A 40 ALA HA 1.0 . 2.97 391 308 A 40 ALA HA A 41 GLY H 1.0 . 2.95 392 309 A 40 ALA HB% A 41 GLY H 1.0 . 3.52 393 310 A 40 ALA HA A 41 GLY HAy 1.0 . 4.03 394 310 A 40 ALA HA A 41 GLY HAx 1.0 . 4.03 395 311 A 40 ALA HA A 42 VAL H 1.0 . 3.82 396 312 A 40 ALA HA A 86 VAL H 1.0 . 4.69 397 313 A 40 ALA HA A 87 GLN HA 1.0 . 4.87 398 314 A 40 ALA HB% A 87 GLN HA 1.0 . 4.40 399 315 A 40 ALA HB% A 88 GLU H 1.0 . 4.50 400 316 A 40 ALA HB% A 88 GLU HA 1.0 . 3.81 401 317 A 40 ALA HB% A 89 PRO HA 1.0 . 4.00 402 318 A 40 ALA HB% A 89 PRO HBx 1.0 . 3.87 403 319 A 40 ALA HB% A 89 PRO HBy 1.0 . 3.78 404 320 A 40 ALA HB% A 89 PRO HGy 1.0 . 3.79 405 321 A 40 ALA HB% A 89 PRO HGx 1.0 . 4.33 406 322 A 40 ALA HB% A 89 PRO HDy 1.0 . 3.29 407 323 A 40 ALA HB% A 89 PRO HDx 1.0 . 3.98 408 324 A 40 ALA HA A 89 PRO HA 1.0 . 4.44 409 325 A 112 VAL HGx% A 40 ALA H 1.0 . 3.37 410 326 A 112 VAL HGx% A 40 ALA HA 1.0 . 3.38 411 327 A 112 VAL HGx% A 40 ALA HB% 1.0 . 3.24 412 328 A 40 ALA HB% A 112 VAL HB 1.0 . 5.22 413 329 A 113 ALA H A 40 ALA H 1.0 . 3.98 414 330 A 42 VAL H A 41 GLY H 1.0 . 3.35 415 331 A 41 GLY H A 85 VAL HG21 1.0 . 3.65 416 332 A 85 VAL HG21 A 41 GLY HAy 1.0 . 3.24 417 332 A 41 GLY HAx A 85 VAL HG21 1.0 . 3.24 418 333 A 41 GLY H A 86 VAL H 1.0 . 4.32 419 334 A 41 GLY H A 87 GLN HA 1.0 . 3.69 420 335 A 87 GLN HA A 41 GLY HAy 1.0 . 4.17 421 335 A 41 GLY HAx A 87 GLN HA 1.0 . 4.17 422 336 A 42 VAL HB A 42 VAL H 1.0 . 3.00 423 337 A 42 VAL H A 42 VAL HGx% 1.0 . 3.97 424 338 A 42 VAL H A 42 VAL HG21 1.0 . 3.09 425 339 A 42 VAL HGx% A 42 VAL HA 1.0 . 3.30 426 340 A 42 VAL HG21 A 42 VAL HA 1.0 . 3.25 427 341 A 42 VAL HGx% A 43 PRO HGy 1.0 . 5.04 428 342 A 42 VAL HA A 43 PRO HGy 1.0 . 4.38 429 343 A 42 VAL HA A 43 PRO HGx 1.0 . 4.34 430 344 A 42 VAL HA A 43 PRO HDx 1.0 . 3.40 431 345 A 42 VAL HA A 43 PRO HDy 1.0 . 3.40 432 346 A 42 VAL HB A 43 PRO HDx 1.0 . 5.28 433 347 A 42 VAL HB A 43 PRO HDy 1.0 . 5.28 434 348 A 42 VAL HGx% A 43 PRO HDx 1.0 . 3.62 435 349 A 42 VAL HGx% A 43 PRO HDy 1.0 . 3.62 436 350 A 42 VAL HG21 A 43 PRO HDx 1.0 . 4.27 437 351 A 42 VAL HG21 A 43 PRO HDy 1.0 . 4.27 438 352 A 42 VAL HGx% A 43 PRO HGx 1.0 . 4.71 439 353 A 42 VAL H A 43 PRO HDy 1.0 . 4.78 440 353 A 42 VAL H A 43 PRO HDx 1.0 . 4.78 441 354 A 42 VAL HA A 43 PRO HDy 1.0 . 2.87 442 354 A 42 VAL HA A 43 PRO HDx 1.0 . 2.87 443 355 A 42 VAL HB A 43 PRO HDy 1.0 . 4.49 444 355 A 42 VAL HB A 43 PRO HDx 1.0 . 4.49 445 356 A 42 VAL HG21 A 43 PRO HDy 1.0 . 3.72 446 356 A 42 VAL HG21 A 43 PRO HDx 1.0 . 3.72 447 357 A 42 VAL H A 85 VAL HG21 1.0 . 3.77 448 358 A 42 VAL HA A 85 VAL HGx% 1.0 . 4.40 449 359 A 42 VAL H A 86 VAL H 1.0 . 4.45 450 360 A 43 PRO HA A 44 ALA H 1.0 . 3.26 451 361 A 44 ALA H A 43 PRO HBx 1.0 . 4.52 452 362 A 44 ALA H A 43 PRO HBy 1.0 . 4.52 453 363 A 44 ALA H A 43 PRO HBy 1.0 . 3.80 454 363 A 44 ALA H A 43 PRO HBx 1.0 . 3.80 455 364 A 83 ALA HB% A 43 PRO HBy 1.0 . 3.87 456 364 A 43 PRO HBx A 83 ALA HB% 1.0 . 3.87 457 365 A 43 PRO HA A 84 TYR H 1.0 . 4.33 458 366 A 84 TYR H A 43 PRO HBy 1.0 . 5.34 459 366 A 43 PRO HBx A 84 TYR H 1.0 . 5.34 460 367 A 85 VAL HGx% A 43 PRO HA 1.0 . 4.10 461 368 A 85 VAL HGx% A 43 PRO HA 1.0 . 3.94 462 369 A 85 VAL HGx% A 43 PRO HBx 1.0 . 4.44 463 370 A 85 VAL HGx% A 43 PRO HBy 1.0 . 4.44 464 371 A 43 PRO HGy A 85 VAL HGx% 1.0 . 4.43 465 372 A 43 PRO HGx A 85 VAL HGx% 1.0 . 4.36 466 373 A 85 VAL HGx% A 43 PRO HBx 1.0 . 4.31 467 373 A 85 VAL HGx% A 43 PRO HBy 1.0 . 4.31 468 374 A 85 VAL HGx% A 43 PRO HBy 1.0 . 4.11 469 374 A 85 VAL HGx% A 43 PRO HBx 1.0 . 4.11 470 375 A 43 PRO HDx A 85 VAL HGx% 1.0 . 4.87 471 375 A 85 VAL HGx% A 43 PRO HDy 1.0 . 4.87 472 376 A 85 VAL HGx% A 43 PRO HDy 1.0 . 3.81 473 376 A 43 PRO HDx A 85 VAL HGx% 1.0 . 3.81 474 377 A 44 ALA HB% A 44 ALA H 1.0 . 3.59 475 378 A 44 ALA HA A 45 GLU H 1.0 . 3.17 476 379 A 44 ALA HB% A 45 GLU H 1.0 . 4.00 477 380 A 44 ALA H A 84 TYR H 1.0 . 3.54 478 381 A 44 ALA HB% A 84 TYR H 1.0 . 4.07 479 382 A 44 ALA HB% A 84 TYR HE% 1.0 . 3.22 480 383 A 44 ALA HB% A 84 TYR HD% 1.0 . 4.05 481 384 A 85 VAL HGx% A 44 ALA H 1.0 . 4.57 482 385 A 44 ALA H A 85 VAL HA 1.0 . 4.84 483 386 A 85 VAL HGx% A 44 ALA H 1.0 . 4.98 484 387 A 45 GLU H A 45 GLU HBx 1.0 . 3.90 485 387 A 45 GLU H A 45 GLU HBy 1.0 . 3.90 486 388 A 45 GLU H A 45 GLU HGx 1.0 . 3.85 487 388 A 45 GLU H A 45 GLU HGy 1.0 . 3.85 488 389 A 45 GLU HA A 46 PHE H 1.0 . 3.51 489 390 A 46 PHE H A 45 GLU HBx 1.0 . 4.30 490 390 A 45 GLU HBy A 46 PHE H 1.0 . 4.30 491 391 A 45 GLU HA A 83 ALA HA 1.0 . 3.78 492 392 A 83 ALA HB% A 45 GLU HA 1.0 . 4.69 493 393 A 83 ALA HB% A 45 GLU HA 1.0 . 4.69 494 394 A 83 ALA HA A 45 GLU HBx 1.0 . 4.51 495 394 A 45 GLU HBy A 83 ALA HA 1.0 . 4.51 496 395 A 83 ALA HA A 45 GLU HGx 1.0 . 4.37 497 395 A 45 GLU HGy A 83 ALA HA 1.0 . 4.37 498 396 A 83 ALA HB% A 45 GLU HGy 1.0 . 4.09 499 396 A 83 ALA HB% A 45 GLU HGx 1.0 . 4.09 500 397 A 83 ALA HB% A 45 GLU HGy 1.0 . 4.09 501 397 A 83 ALA HB% A 45 GLU HGx 1.0 . 4.09 502 398 A 83 ALA HB% A 45 GLU HA 1.0 . 4.07 503 399 A 83 ALA HB% A 45 GLU HBx 1.0 . 3.91 504 399 A 83 ALA HB% A 45 GLU HBy 1.0 . 3.91 505 400 A 83 ALA HB% A 45 GLU HGx 1.0 . 3.55 506 400 A 83 ALA HB% A 45 GLU HGy 1.0 . 3.55 507 401 A 84 TYR H A 45 GLU HA 1.0 . 4.31 508 402 A 84 TYR H A 45 GLU HBx 1.0 . 5.50 509 402 A 84 TYR H A 45 GLU HBy 1.0 . 5.50 510 403 A 46 PHE HD% A 46 PHE H 1.0 . 4.97 511 404 A 46 PHE HD% A 48 ILE HD11 1.0 . 4.70 512 405 A 46 PHE HD% A 48 ILE HG1x 1.0 . 4.94 513 406 A 46 PHE HD% A 48 ILE HG1y 1.0 . 4.96 514 407 A 46 PHE HE% A 48 ILE HG1x 1.0 . 4.64 515 408 A 46 PHE HE% A 48 ILE HD11 1.0 . 3.52 516 409 A 46 PHE HE% A 48 ILE HG1y 1.0 . 4.32 517 410 A 46 PHE HZ A 60 ILE HG21 1.0 . 3.64 518 411 A 46 PHE HZ A 60 ILE HD11 1.0 . 4.21 519 412 A 46 PHE HE% A 60 ILE HG21 1.0 . 4.03 520 413 A 46 PHE HE% A 62 VAL HGy% 1.0 . 5.23 521 414 A 46 PHE H A 82 VAL H 1.0 . 4.45 522 415 A 46 PHE H A 82 VAL HB 1.0 . 5.01 523 416 A 46 PHE HZ A 82 VAL HGx% 1.0 . 3.73 524 417 A 46 PHE HE% A 82 VAL HGx% 1.0 . 3.85 525 418 A 46 PHE HD% A 82 VAL HGx% 1.0 . 4.84 526 419 A 46 PHE H A 83 ALA HA 1.0 . 4.32 527 420 A 46 PHE HE% A 84 TYR HD% 1.0 . 3.52 528 421 A 46 PHE HD% A 84 TYR HE% 1.0 . 3.86 529 422 A 46 PHE HE% A 84 TYR HE% 1.0 . 3.51 530 423 A 46 PHE HZ A 94 VAL HGx% 1.0 . 3.77 531 424 A 46 PHE HE% A 94 VAL HGx% 1.0 . 3.94 532 425 A 46 PHE HE% A 94 VAL HG21 1.0 . 4.48 533 426 A 46 PHE HZ A 96 VAL HGx% 1.0 . 4.37 534 427 A 46 PHE HE% A 96 VAL HGx% 1.0 . 3.58 535 428 A 48 ILE HA A 47 SER HA 1.0 . 5.03 536 429 A 47 SER HA A 81 GLY HAx 1.0 . 5.29 537 429 A 47 SER HA A 81 GLY HAy 1.0 . 5.29 538 430 A 82 VAL H A 47 SER HA 1.0 . 4.64 539 431 A 48 ILE HG21 A 48 ILE H 1.0 . 3.94 540 432 A 48 ILE HA A 48 ILE HG21 1.0 . 3.42 541 433 A 48 ILE HD11 A 48 ILE HB 1.0 . 3.55 542 434 A 48 ILE HG21 A 48 ILE HG1x 1.0 . 2.64 543 435 A 48 ILE HG21 A 48 ILE HG1y 1.0 . 3.40 544 436 A 48 ILE HD11 A 60 ILE HD11 1.0 . 2.87 545 437 A 48 ILE HD11 A 60 ILE HG1y 1.0 . 4.03 546 437 A 48 ILE HD11 A 60 ILE HG1x 1.0 . 4.03 547 438 A 48 ILE HD11 A 82 VAL HGy% 1.0 . 3.34 548 439 A 48 ILE HB A 82 VAL HGy% 1.0 . 5.17 549 440 A 48 ILE HG1y A 82 VAL HGy% 1.0 . 4.39 550 441 A 50 THR HG2% A 50 THR H 1.0 . 4.41 551 442 A 50 THR HG2% A 50 THR HA 1.0 . 3.52 552 443 A 53 ALA HB% A 50 THR HB 1.0 . 4.30 553 444 A 50 THR HG2% A 58 LEU HG 1.0 . 4.29 554 445 A 98 PHE HD% A 50 THR HG2% 1.0 . 4.51 555 446 A 98 PHE HE% A 50 THR HG2% 1.0 . 4.38 556 447 A 52 GLU H A 52 GLU HGx 1.0 . 4.63 557 447 A 52 GLU H A 52 GLU HGy 1.0 . 4.63 558 448 A 52 GLU HA A 52 GLU HGx 1.0 . 3.45 559 448 A 52 GLU HGy A 52 GLU HA 1.0 . 3.45 560 449 A 53 ALA H A 53 ALA HB% 1.0 . 4.05 561 450 A 53 ALA HB% A 54 GLY H 1.0 . 4.02 562 451 A 53 ALA HB% A 98 PHE HE% 1.0 . 4.42 563 452 A 54 GLY H A 55 ALA H 1.0 . 4.36 564 453 A 55 ALA H A 54 GLY HAy 1.0 . 2.89 565 453 A 55 ALA H A 54 GLY HAx 1.0 . 2.89 566 454 A 55 ALA H A 55 ALA HB% 1.0 . 2.88 567 455 A 56 GLY H A 55 ALA H 1.0 . 4.33 568 456 A 56 GLY H A 55 ALA HA 1.0 . 2.88 569 457 A 56 GLY H A 55 ALA HB% 1.0 . 3.62 570 458 A 55 ALA HB% A 56 GLY HAy 1.0 . 4.73 571 458 A 55 ALA HB% A 56 GLY HAx 1.0 . 4.73 572 459 A 56 GLY H A 57 GLY H 1.0 . 4.56 573 460 A 57 GLY H A 56 GLY HAy 1.0 . 3.07 574 460 A 56 GLY HAx A 57 GLY H 1.0 . 3.07 575 461 A 98 PHE HE% A 56 GLY HAy 1.0 . 4.49 576 461 A 98 PHE HE% A 56 GLY HAx 1.0 . 4.49 577 462 A 99 ASN HD2x A 56 GLY HAy 1.0 . 3.20 578 462 A 56 GLY HAx A 99 ASN HD2y 1.0 . 3.20 579 462 A 99 ASN HD2y A 56 GLY HAy 1.0 . 3.20 580 462 A 56 GLY HAx A 99 ASN HD2x 1.0 . 3.20 581 463 A 58 LEU H A 57 GLY H 1.0 . 4.81 582 464 A 58 LEU H A 57 GLY HAy 1.0 . 2.95 583 464 A 58 LEU H A 57 GLY HAx 1.0 . 2.95 584 465 A 58 LEU HBx A 57 GLY HAy 1.0 . 4.63 585 465 A 58 LEU HBx A 57 GLY HAx 1.0 . 4.63 586 466 A 58 LEU HG A 57 GLY HAy 1.0 . 4.44 587 466 A 58 LEU HG A 57 GLY HAx 1.0 . 4.44 588 467 A 57 GLY H A 99 ASN H 1.0 . 4.26 589 468 A 57 GLY H A 99 ASN HD2x 1.0 . 4.64 590 468 A 57 GLY H A 99 ASN HD2y 1.0 . 4.64 591 469 A 58 LEU H A 58 LEU HBy 1.0 . 3.92 592 470 A 58 LEU H A 58 LEU HBx 1.0 . 3.32 593 471 A 58 LEU H A 58 LEU HD21 1.0 . 5.32 594 472 A 58 LEU H A 58 LEU HG 1.0 . 4.32 595 473 A 58 LEU HD21 A 58 LEU HA 1.0 . 3.45 596 474 A 58 LEU HA A 58 LEU HDx% 1.0 . 3.87 597 475 A 58 LEU HBy A 58 LEU HDx% 1.0 . 3.53 598 476 A 58 LEU HBy A 58 LEU HD21 1.0 . 3.51 599 477 A 58 LEU HBx A 58 LEU HDx% 1.0 . 3.29 600 478 A 58 LEU H A 58 LEU HDx% 1.0 . 4.65 601 479 A 58 LEU H A 59 ALA H 1.0 . 4.75 602 480 A 58 LEU HA A 59 ALA H 1.0 . 2.99 603 481 A 58 LEU HBy A 59 ALA H 1.0 . 4.04 604 482 A 58 LEU HG A 59 ALA H 1.0 . 5.31 605 483 A 58 LEU HD21 A 59 ALA H 1.0 . 3.70 606 484 A 58 LEU HBx A 59 ALA H 1.0 . 4.78 607 485 A 60 ILE HD11 A 58 LEU HBy 1.0 . 4.30 608 486 A 60 ILE HD11 A 58 LEU HBx 1.0 . 4.96 609 487 A 58 LEU HBx A 72 PHE HZ 1.0 . 4.98 610 488 A 58 LEU HDx% A 72 PHE HZ 1.0 . 4.33 611 489 A 58 LEU HDx% A 72 PHE HE% 1.0 . 4.29 612 490 A 58 LEU HA A 98 PHE HA 1.0 . 3.75 613 491 A 58 LEU HD21 A 98 PHE HA 1.0 . 3.95 614 492 A 98 PHE HBy A 58 LEU HD21 1.0 . 4.47 615 493 A 58 LEU HD21 A 98 PHE HBx 1.0 . 4.47 616 494 A 98 PHE HD% A 58 LEU HD21 1.0 . 3.63 617 495 A 98 PHE HD% A 58 LEU HDx% 1.0 . 3.90 618 496 A 98 PHE HD% A 58 LEU HA 1.0 . 4.57 619 497 A 98 PHE HD% A 58 LEU HG 1.0 . 4.16 620 498 A 58 LEU HD21 A 98 PHE HBx 1.0 . 3.66 621 498 A 98 PHE HBy A 58 LEU HD21 1.0 . 3.66 622 499 A 99 ASN H A 58 LEU HD21 1.0 . 4.89 623 500 A 59 ALA H A 59 ALA HB% 1.0 . 3.62 624 501 A 59 ALA HA A 60 ILE H 1.0 . 3.09 625 502 A 59 ALA HA A 60 ILE HB 1.0 . 4.79 626 503 A 60 ILE H A 59 ALA HB% 1.0 . 3.68 627 504 A 59 ALA HA A 60 ILE HG1y 1.0 . 4.68 628 504 A 59 ALA HA A 60 ILE HG1x 1.0 . 4.68 629 505 A 59 ALA H A 97 LYS H 1.0 . 3.86 630 506 A 59 ALA HB% A 97 LYS H 1.0 . 4.20 631 507 A 59 ALA HB% A 97 LYS HBx 1.0 . 3.68 632 508 A 59 ALA HB% A 97 LYS HBy 1.0 . 3.89 633 509 A 59 ALA H A 98 PHE HA 1.0 . 4.11 634 510 A 60 ILE H A 60 ILE HB 1.0 . 3.51 635 511 A 60 ILE H A 60 ILE HG21 1.0 . 4.16 636 512 A 60 ILE H A 60 ILE HG1x 1.0 . 4.53 637 513 A 60 ILE H A 60 ILE HG1y 1.0 . 4.53 638 514 A 60 ILE H A 60 ILE HD11 1.0 . 4.21 639 515 A 60 ILE HG21 A 60 ILE HA 1.0 . 3.35 640 516 A 60 ILE HD11 A 60 ILE HA 1.0 . 3.96 641 517 A 60 ILE HB A 60 ILE HD11 1.0 . 3.32 642 518 A 60 ILE HG21 A 60 ILE HG1x 1.0 . 3.54 643 519 A 60 ILE HG21 A 60 ILE HG1y 1.0 . 3.54 644 520 A 60 ILE H A 60 ILE HG1y 1.0 . 3.97 645 520 A 60 ILE H A 60 ILE HG1x 1.0 . 3.97 646 521 A 60 ILE HG21 A 60 ILE HG1y 1.0 . 3.07 647 521 A 60 ILE HG21 A 60 ILE HG1x 1.0 . 3.07 648 522 A 60 ILE HA A 61 ALA H 1.0 . 2.94 649 523 A 60 ILE HG21 A 61 ALA H 1.0 . 3.41 650 524 A 60 ILE HB A 61 ALA H 1.0 . 4.51 651 525 A 60 ILE HD11 A 61 ALA H 1.0 . 5.23 652 526 A 61 ALA HB% A 60 ILE HG21 1.0 . 4.55 653 527 A 61 ALA HB% A 60 ILE HA 1.0 . 4.14 654 528 A 60 ILE HG21 A 62 VAL HGy% 1.0 . 3.47 655 529 A 60 ILE HB A 70 ILE HG21 1.0 . 4.07 656 530 A 60 ILE HD11 A 72 PHE HE% 1.0 . 4.18 657 531 A 60 ILE HD11 A 72 PHE HD% 1.0 . 4.06 658 532 A 60 ILE HB A 82 VAL HGx% 1.0 . 4.82 659 533 A 60 ILE HG21 A 82 VAL HGx% 1.0 . 3.46 660 534 A 60 ILE HD11 A 82 VAL HGx% 1.0 . 3.65 661 535 A 60 ILE HD11 A 82 VAL HGy% 1.0 . 3.41 662 536 A 82 VAL HGy% A 60 ILE HG1y 1.0 . 5.22 663 536 A 60 ILE HG1x A 82 VAL HGy% 1.0 . 5.22 664 537 A 60 ILE HG21 A 84 TYR HBx 1.0 . 5.29 665 537 A 60 ILE HG21 A 84 TYR HBy 1.0 . 5.29 666 538 A 94 VAL HGx% A 60 ILE HG21 1.0 . 3.26 667 539 A 94 VAL HGx% A 60 ILE HG1y 1.0 . 4.27 668 539 A 94 VAL HGx% A 60 ILE HG1x 1.0 . 4.27 669 540 A 60 ILE HG21 A 95 SER H 1.0 . 4.66 670 541 A 60 ILE HA A 96 VAL HA 1.0 . 3.96 671 542 A 96 VAL HGx% A 60 ILE HG1x 1.0 . 3.92 672 543 A 96 VAL HGx% A 60 ILE HG1y 1.0 . 3.92 673 544 A 96 VAL HA A 60 ILE HG1y 1.0 . 4.40 674 544 A 60 ILE HG1x A 96 VAL HA 1.0 . 4.40 675 545 A 96 VAL HG21 A 60 ILE HG1y 1.0 . 3.82 676 545 A 60 ILE HG1x A 96 VAL HG21 1.0 . 3.82 677 546 A 97 LYS H A 60 ILE HG1y 1.0 . 4.92 678 546 A 60 ILE HG1x A 97 LYS H 1.0 . 4.92 679 547 A 61 ALA HB% A 61 ALA H 1.0 . 3.42 680 548 A 61 ALA HA A 62 VAL H 1.0 . 3.02 681 549 A 62 VAL H A 61 ALA HB% 1.0 . 3.45 682 550 A 61 ALA HB% A 63 GLU HGx 1.0 . 4.33 683 551 A 61 ALA HB% A 63 GLU HGy 1.0 . 4.33 684 552 A 61 ALA HB% A 63 GLU HGy 1.0 . 3.52 685 552 A 61 ALA HB% A 63 GLU HGx 1.0 . 3.52 686 553 A 61 ALA HA A 70 ILE HD11 1.0 . 3.60 687 554 A 61 ALA HB% A 70 ILE HD11 1.0 . 4.55 688 555 A 94 VAL HGx% A 61 ALA H 1.0 . 4.54 689 556 A 61 ALA H A 95 SER H 1.0 . 3.84 690 557 A 61 ALA HB% A 95 SER H 1.0 . 4.18 691 558 A 61 ALA HB% A 95 SER HBy 1.0 . 3.99 692 559 A 61 ALA HB% A 95 SER HBx 1.0 . 3.99 693 560 A 61 ALA H A 95 SER HBy 1.0 . 4.02 694 560 A 61 ALA H A 95 SER HBx 1.0 . 4.02 695 561 A 61 ALA HB% A 95 SER HBy 1.0 . 3.36 696 561 A 61 ALA HB% A 95 SER HBx 1.0 . 3.36 697 562 A 62 VAL H A 62 VAL HB 1.0 . 3.37 698 563 A 62 VAL H A 62 VAL HGy% 1.0 . 3.40 699 564 A 62 VAL H A 62 VAL HGx% 1.0 . 4.40 700 565 A 62 VAL H A 63 GLU H 1.0 . 4.76 701 566 A 62 VAL HGx% A 63 GLU H 1.0 . 3.54 702 567 A 62 VAL HB A 63 GLU H 1.0 . 4.90 703 568 A 62 VAL HGy% A 63 GLU H 1.0 . 4.36 704 569 A 62 VAL HA A 63 GLU HGy 1.0 . 5.23 705 569 A 63 GLU HGx A 62 VAL HA 1.0 . 5.23 706 570 A 64 GLY H A 62 VAL HGx% 1.0 . 4.73 707 571 A 62 VAL H A 68 ALA HB% 1.0 . 5.11 708 572 A 62 VAL HGx% A 68 ALA H 1.0 . 4.46 709 573 A 62 VAL HB A 68 ALA HB% 1.0 . 3.31 710 574 A 62 VAL HGx% A 68 ALA HB% 1.0 . 3.04 711 575 A 62 VAL HGy% A 68 ALA HB% 1.0 . 3.74 712 576 A 62 VAL H A 70 ILE HD11 1.0 . 3.46 713 577 A 62 VAL H A 70 ILE HG21 1.0 . 5.39 714 578 A 62 VAL H A 70 ILE HG1x 1.0 . 5.50 715 579 A 62 VAL HB A 70 ILE HG1x 1.0 . 4.43 716 580 A 62 VAL HGy% A 70 ILE HG1x 1.0 . 3.68 717 581 A 62 VAL HGy% A 70 ILE HG1y 1.0 . 4.55 718 582 A 62 VAL HGy% A 70 ILE HD11 1.0 . 3.22 719 583 A 62 VAL HB A 70 ILE HD11 1.0 . 3.21 720 584 A 62 VAL HGy% A 84 TYR HBx 1.0 . 3.94 721 584 A 62 VAL HGy% A 84 TYR HBy 1.0 . 3.94 722 585 A 84 TYR HD% A 62 VAL HGy% 1.0 . 4.11 723 586 A 84 TYR HD% A 62 VAL HGx% 1.0 . 3.97 724 587 A 62 VAL HGy% A 84 TYR HA 1.0 . 4.82 725 588 A 84 TYR HE% A 62 VAL HGy% 1.0 . 5.04 726 589 A 84 TYR HE% A 62 VAL HGx% 1.0 . 4.49 727 590 A 62 VAL HGx% A 92 TYR HBy 1.0 . 4.11 728 591 A 62 VAL HGx% A 92 TYR HBx 1.0 . 3.77 729 592 A 62 VAL HGx% A 92 TYR HD% 1.0 . 3.47 730 593 A 62 VAL HGx% A 92 TYR HE% 1.0 . 4.37 731 594 A 62 VAL HGy% A 92 TYR HD% 1.0 . 5.50 732 595 A 62 VAL HGx% A 93 GLU H 1.0 . 4.35 733 596 A 94 VAL HG21 A 62 VAL HA 1.0 . 4.20 734 597 A 94 VAL HG21 A 62 VAL HGx% 1.0 . 3.27 735 598 A 62 VAL HGy% A 94 VAL HA 1.0 . 3.33 736 599 A 94 VAL HGx% A 62 VAL HGy% 1.0 . 3.11 737 600 A 94 VAL HG21 A 62 VAL HGy% 1.0 . 3.10 738 601 A 62 VAL HB A 94 VAL HG21 1.0 . 4.56 739 602 A 62 VAL HGy% A 95 SER H 1.0 . 4.59 740 603 A 63 GLU H A 63 GLU HBx 1.0 . 3.97 741 604 A 63 GLU H A 63 GLU HBy 1.0 . 3.97 742 605 A 63 GLU HGx A 63 GLU H 1.0 . 4.31 743 606 A 63 GLU H A 63 GLU HGy 1.0 . 4.31 744 607 A 63 GLU HGx A 63 GLU HA 1.0 . 3.94 745 608 A 63 GLU HA A 63 GLU HGy 1.0 . 3.94 746 609 A 63 GLU H A 63 GLU HBy 1.0 . 3.30 747 609 A 63 GLU H A 63 GLU HBx 1.0 . 3.30 748 610 A 63 GLU HBy A 63 GLU HGy 1.0 . 2.33 749 610 A 63 GLU HBx A 63 GLU HGy 1.0 . 2.33 750 610 A 63 GLU HGx A 63 GLU HBy 1.0 . 2.33 751 610 A 63 GLU HGx A 63 GLU HBx 1.0 . 2.33 752 611 A 64 GLY H A 63 GLU H 1.0 . 4.60 753 612 A 64 GLY H A 63 GLU HA 1.0 . 2.69 754 613 A 64 GLY H A 63 GLU HGx 1.0 . 4.99 755 614 A 64 GLY H A 63 GLU HGy 1.0 . 4.99 756 615 A 64 GLY H A 63 GLU HBy 1.0 . 3.32 757 615 A 64 GLY H A 63 GLU HBx 1.0 . 3.32 758 616 A 64 GLY H A 63 GLU HGy 1.0 . 4.22 759 616 A 64 GLY H A 63 GLU HGx 1.0 . 4.22 760 617 A 63 GLU H A 93 GLU H 1.0 . 3.83 761 618 A 63 GLU H A 93 GLU HBy 1.0 . 4.45 762 619 A 63 GLU H A 93 GLU HBx 1.0 . 5.21 763 620 A 63 GLU H A 94 VAL HA 1.0 . 3.49 764 621 A 95 SER H A 63 GLU H 1.0 . 5.08 765 622 A 64 GLY H A 65 PRO HDy 1.0 . 5.00 766 622 A 64 GLY H A 65 PRO HDx 1.0 . 5.00 767 623 A 64 GLY H A 66 SER H 1.0 . 4.27 768 624 A 64 GLY H A 92 TYR HD% 1.0 . 4.41 769 625 A 66 SER H A 65 PRO HBx 1.0 . 4.43 770 626 A 66 SER H A 65 PRO HBy 1.0 . 4.43 771 627 A 65 PRO HGx A 66 SER H 1.0 . 3.81 772 628 A 66 SER H A 65 PRO HDy 1.0 . 4.25 773 629 A 65 PRO HDx A 66 SER H 1.0 . 4.25 774 630 A 65 PRO HGy A 66 SER H 1.0 . 5.01 775 631 A 66 SER H A 65 PRO HBy 1.0 . 3.59 776 631 A 66 SER H A 65 PRO HBx 1.0 . 3.59 777 632 A 66 SER H A 65 PRO HDy 1.0 . 3.60 778 632 A 65 PRO HDx A 66 SER H 1.0 . 3.60 779 633 A 65 PRO HGy A 91 ASP H 1.0 . 4.05 780 634 A 65 PRO HDx A 91 ASP H 1.0 . 4.48 781 635 A 91 ASP H A 65 PRO HDy 1.0 . 4.48 782 636 A 65 PRO HGx A 91 ASP H 1.0 . 4.79 783 637 A 92 TYR HE% A 65 PRO HGy 1.0 . 4.96 784 638 A 92 TYR HE% A 65 PRO HGx 1.0 . 4.33 785 639 A 65 PRO HGx A 92 TYR HH 1.0 . 4.48 786 640 A 92 TYR HE% A 65 PRO HDy 1.0 . 4.95 787 641 A 92 TYR HE% A 65 PRO HDx 1.0 . 4.95 788 642 A 65 PRO HDx A 92 TYR HA 1.0 . 4.87 789 643 A 92 TYR HA A 65 PRO HDy 1.0 . 4.87 790 644 A 92 TYR HA A 65 PRO HDy 1.0 . 4.27 791 644 A 65 PRO HDx A 92 TYR HA 1.0 . 4.27 792 645 A 92 TYR HE% A 65 PRO HDy 1.0 . 4.10 793 645 A 92 TYR HE% A 65 PRO HDx 1.0 . 4.10 794 646 A 66 SER H A 66 SER HBx 1.0 . 3.97 795 647 A 66 SER H A 66 SER HBy 1.0 . 3.97 796 648 A 66 SER H A 66 SER HBy 1.0 . 3.41 797 648 A 66 SER H A 66 SER HBx 1.0 . 3.41 798 649 A 66 SER H A 67 LYS H 1.0 . 5.14 799 650 A 67 LYS H A 66 SER HA 1.0 . 3.26 800 651 A 66 SER HBx A 67 LYS H 1.0 . 3.92 801 652 A 67 LYS H A 66 SER HBy 1.0 . 3.92 802 653 A 67 LYS H A 66 SER HBy 1.0 . 3.29 803 653 A 66 SER HBx A 67 LYS H 1.0 . 3.29 804 654 A 66 SER HBx A 67 LYS HBx 1.0 . 5.01 805 654 A 66 SER HBy A 67 LYS HBx 1.0 . 5.01 806 654 A 67 LYS HBy A 66 SER HBy 1.0 . 5.01 807 654 A 66 SER HBx A 67 LYS HBy 1.0 . 5.01 808 655 A 87 GLN HBx A 66 SER HBy 1.0 . 4.47 809 655 A 66 SER HBx A 87 GLN HBx 1.0 . 4.47 810 656 A 88 GLU H A 66 SER HBx 1.0 . 4.28 811 657 A 88 GLU H A 66 SER HBy 1.0 . 4.28 812 658 A 88 GLU HBx A 66 SER HBy 1.0 . 4.20 813 659 A 66 SER HBx A 88 GLU HBx 1.0 . 4.20 814 660 A 88 GLU HGx A 66 SER HBy 1.0 . 4.51 815 661 A 66 SER HBx A 88 GLU HGx 1.0 . 4.51 816 662 A 66 SER HBx A 88 GLU HGy 1.0 . 4.51 817 663 A 66 SER HBy A 88 GLU HGy 1.0 . 4.51 818 664 A 88 GLU H A 66 SER HBy 1.0 . 3.76 819 664 A 88 GLU H A 66 SER HBx 1.0 . 3.76 820 665 A 88 GLU HBx A 66 SER HBy 1.0 . 3.54 821 665 A 66 SER HBx A 88 GLU HBx 1.0 . 3.54 822 666 A 88 GLU HBy A 66 SER HBy 1.0 . 4.00 823 666 A 66 SER HBx A 88 GLU HBy 1.0 . 4.00 824 667 A 66 SER HBy A 88 GLU HGy 1.0 . 3.32 825 667 A 66 SER HBx A 88 GLU HGy 1.0 . 3.32 826 667 A 88 GLU HGx A 66 SER HBy 1.0 . 3.32 827 667 A 66 SER HBx A 88 GLU HGx 1.0 . 3.32 828 668 A 92 TYR HE% A 66 SER H 1.0 . 3.58 829 669 A 66 SER H A 92 TYR HH 1.0 . 4.00 830 670 A 67 LYS H A 67 LYS HBx 1.0 . 3.13 831 670 A 67 LYS H A 67 LYS HBy 1.0 . 3.13 832 671 A 67 LYS HA A 67 LYS HGx 1.0 . 4.20 833 672 A 67 LYS HA A 67 LYS HGy 1.0 . 4.20 834 673 A 67 LYS HA A 67 LYS HDx 1.0 . 4.42 835 673 A 67 LYS HA A 67 LYS HDy 1.0 . 4.42 836 674 A 67 LYS HGx A 67 LYS HEx 1.0 . 4.04 837 674 A 67 LYS HEy A 67 LYS HGx 1.0 . 4.04 838 675 A 67 LYS HEy A 67 LYS HGy 1.0 . 4.04 839 675 A 67 LYS HEx A 67 LYS HGy 1.0 . 4.04 840 676 A 67 LYS H A 67 LYS HGy 1.0 . 4.94 841 676 A 67 LYS H A 67 LYS HGx 1.0 . 4.94 842 677 A 67 LYS HA A 67 LYS HGy 1.0 . 3.66 843 677 A 67 LYS HA A 67 LYS HGx 1.0 . 3.66 844 678 A 68 ALA H A 67 LYS HA 1.0 . 2.76 845 679 A 68 ALA H A 67 LYS HBx 1.0 . 3.98 846 679 A 68 ALA H A 67 LYS HBy 1.0 . 3.98 847 680 A 68 ALA H A 67 LYS HGy 1.0 . 4.56 848 681 A 68 ALA H A 67 LYS H 1.0 . 4.69 849 682 A 68 ALA H A 67 LYS HGx 1.0 . 4.56 850 683 A 68 ALA H A 67 LYS HDx 1.0 . 4.95 851 683 A 68 ALA H A 67 LYS HDy 1.0 . 4.95 852 684 A 68 ALA HB% A 67 LYS HA 1.0 . 4.25 853 685 A 68 ALA H A 67 LYS HGy 1.0 . 3.98 854 685 A 68 ALA H A 67 LYS HGx 1.0 . 3.98 855 686 A 68 ALA HB% A 68 ALA H 1.0 . 3.13 856 687 A 68 ALA HA A 69 GLU H 1.0 . 2.85 857 688 A 68 ALA HB% A 69 GLU H 1.0 . 3.36 858 689 A 68 ALA H A 69 GLU H 1.0 . 4.67 859 690 A 68 ALA HA A 69 GLU HBx 1.0 . 5.13 860 691 A 68 ALA HA A 69 GLU HBy 1.0 . 5.13 861 692 A 68 ALA HA A 69 GLU HBy 1.0 . 4.42 862 692 A 68 ALA HA A 69 GLU HBx 1.0 . 4.42 863 693 A 70 ILE HD11 A 68 ALA HB% 1.0 . 3.87 864 694 A 84 TYR HD% A 68 ALA HB% 1.0 . 3.66 865 695 A 68 ALA HB% A 84 TYR HBx 1.0 . 3.59 866 695 A 84 TYR HBy A 68 ALA HB% 1.0 . 3.59 867 696 A 68 ALA HB% A 84 TYR HA 1.0 . 5.05 868 697 A 84 TYR HE% A 68 ALA HB% 1.0 . 4.86 869 698 A 68 ALA HB% A 85 VAL H 1.0 . 4.12 870 699 A 68 ALA HA A 85 VAL H 1.0 . 4.71 871 700 A 68 ALA HB% A 86 VAL HA 1.0 . 3.65 872 701 A 68 ALA HA A 87 GLN H 1.0 . 4.15 873 702 A 68 ALA HB% A 87 GLN H 1.0 . 5.50 874 703 A 68 ALA HB% A 92 TYR HE% 1.0 . 4.26 875 704 A 68 ALA HB% A 92 TYR HD% 1.0 . 4.46 876 705 A 69 GLU H A 69 GLU HBx 1.0 . 3.50 877 706 A 69 GLU H A 69 GLU HBy 1.0 . 3.50 878 707 A 69 GLU H A 69 GLU HGy 1.0 . 4.67 879 708 A 69 GLU H A 69 GLU HGx 1.0 . 4.67 880 709 A 69 GLU HA A 69 GLU HGx 1.0 . 3.99 881 710 A 69 GLU HA A 69 GLU HGy 1.0 . 3.99 882 711 A 69 GLU H A 69 GLU HBy 1.0 . 3.02 883 711 A 69 GLU H A 69 GLU HBx 1.0 . 3.02 884 712 A 69 GLU H A 69 GLU HGy 1.0 . 4.11 885 712 A 69 GLU H A 69 GLU HGx 1.0 . 4.11 886 713 A 69 GLU HA A 69 GLU HGy 1.0 . 3.42 887 713 A 69 GLU HA A 69 GLU HGx 1.0 . 3.42 888 714 A 69 GLU HA A 70 ILE H 1.0 . 2.93 889 715 A 70 ILE H A 69 GLU HBy 1.0 . 4.48 890 716 A 69 GLU H A 70 ILE H 1.0 . 4.90 891 717 A 69 GLU HA A 70 ILE HB 1.0 . 4.57 892 718 A 70 ILE HG1y A 69 GLU HA 1.0 . 4.69 893 719 A 69 GLU HBx A 70 ILE H 1.0 . 4.48 894 720 A 69 GLU HGx A 70 ILE H 1.0 . 4.62 895 721 A 70 ILE H A 69 GLU HGy 1.0 . 4.62 896 722 A 70 ILE H A 69 GLU HBy 1.0 . 3.85 897 722 A 69 GLU HBx A 70 ILE H 1.0 . 3.85 898 723 A 70 ILE H A 69 GLU HGy 1.0 . 4.02 899 723 A 69 GLU HGx A 70 ILE H 1.0 . 4.02 900 724 A 70 ILE HA A 69 GLU HGy 1.0 . 5.34 901 724 A 69 GLU HGx A 70 ILE HA 1.0 . 5.34 902 725 A 84 TYR HA A 69 GLU H 1.0 . 4.83 903 726 A 69 GLU H A 85 VAL HB 1.0 . 3.96 904 727 A 85 VAL HG21 A 69 GLU H 1.0 . 4.52 905 728 A 69 GLU HBx A 85 VAL H 1.0 . 4.42 906 729 A 85 VAL H A 69 GLU HBy 1.0 . 4.42 907 730 A 85 VAL HB A 69 GLU HBy 1.0 . 4.12 908 731 A 69 GLU HBx A 85 VAL HB 1.0 . 4.12 909 732 A 85 VAL HG21 A 69 GLU HBx 1.0 . 4.67 910 733 A 85 VAL HG21 A 69 GLU HBy 1.0 . 4.67 911 734 A 85 VAL HB A 69 GLU HBy 1.0 . 3.61 912 734 A 69 GLU HBx A 85 VAL HB 1.0 . 3.61 913 735 A 85 VAL HG21 A 69 GLU HBy 1.0 . 3.88 914 735 A 85 VAL HG21 A 69 GLU HBx 1.0 . 3.88 915 736 A 85 VAL HGx% A 69 GLU HBy 1.0 . 3.68 916 736 A 85 VAL HGx% A 69 GLU HBx 1.0 . 3.68 917 737 A 70 ILE H A 70 ILE HB 1.0 . 3.32 918 738 A 70 ILE HG21 A 70 ILE H 1.0 . 4.15 919 739 A 70 ILE HG1y A 70 ILE H 1.0 . 3.60 920 740 A 70 ILE HG1x A 70 ILE H 1.0 . 4.73 921 741 A 70 ILE HG21 A 70 ILE HA 1.0 . 3.51 922 742 A 70 ILE HG1y A 70 ILE HA 1.0 . 4.21 923 743 A 70 ILE HD11 A 70 ILE HB 1.0 . 3.40 924 744 A 70 ILE HG21 A 70 ILE HD11 1.0 . 2.96 925 745 A 70 ILE HD11 A 70 ILE H 1.0 . 4.10 926 746 A 70 ILE HA A 71 SER H 1.0 . 3.35 927 747 A 70 ILE HB A 71 SER H 1.0 . 4.68 928 748 A 70 ILE HG21 A 71 SER H 1.0 . 3.56 929 749 A 70 ILE HG21 A 72 PHE H 1.0 . 4.53 930 750 A 70 ILE HG21 A 72 PHE HBx 1.0 . 4.42 931 750 A 70 ILE HG21 A 72 PHE HBy 1.0 . 4.42 932 751 A 82 VAL HGx% A 70 ILE HG21 1.0 . 3.24 933 752 A 70 ILE HA A 83 ALA H 1.0 . 4.89 934 753 A 70 ILE HG21 A 83 ALA H 1.0 . 4.21 935 754 A 84 TYR HA A 70 ILE HA 1.0 . 3.69 936 755 A 70 ILE HA A 84 TYR HBx 1.0 . 4.44 937 755 A 84 TYR HBy A 70 ILE HA 1.0 . 4.44 938 756 A 70 ILE HG1x A 84 TYR HA 1.0 . 5.15 939 757 A 70 ILE HG1y A 84 TYR HBx 1.0 . 4.41 940 757 A 84 TYR HBy A 70 ILE HG1y 1.0 . 4.41 941 758 A 70 ILE HG1x A 84 TYR HBx 1.0 . 4.17 942 758 A 84 TYR HBy A 70 ILE HG1x 1.0 . 4.17 943 759 A 70 ILE HD11 A 84 TYR HBx 1.0 . 4.09 944 759 A 84 TYR HBy A 70 ILE HD11 1.0 . 4.09 945 760 A 70 ILE HG21 A 84 TYR HBx 1.0 . 4.09 946 760 A 70 ILE HG21 A 84 TYR HBy 1.0 . 4.09 947 761 A 70 ILE HG21 A 84 TYR HA 1.0 . 4.59 948 762 A 85 VAL H A 70 ILE HA 1.0 . 4.34 949 763 A 71 SER HA A 71 SER HG 1.0 . 3.30 950 764 A 72 PHE H A 71 SER HA 1.0 . 2.75 951 765 A 71 SER HA A 72 PHE HBx 1.0 . 4.69 952 765 A 72 PHE HBy A 71 SER HA 1.0 . 4.69 953 766 A 71 SER H A 83 ALA H 1.0 . 3.81 954 767 A 84 TYR HA A 71 SER H 1.0 . 4.24 955 768 A 71 SER H A 84 TYR HBx 1.0 . 4.72 956 768 A 84 TYR HBy A 71 SER H 1.0 . 4.72 957 769 A 72 PHE H A 72 PHE HBy 1.0 . 3.91 958 770 A 72 PHE H A 72 PHE HBx 1.0 . 3.91 959 771 A 72 PHE HD% A 72 PHE HA 1.0 . 4.56 960 772 A 72 PHE H A 72 PHE HBx 1.0 . 3.43 961 772 A 72 PHE H A 72 PHE HBy 1.0 . 3.43 962 773 A 72 PHE HA A 73 GLU H 1.0 . 3.29 963 774 A 72 PHE HBy A 73 GLU H 1.0 . 4.71 964 775 A 73 GLU H A 72 PHE HBx 1.0 . 4.71 965 776 A 73 GLU H A 72 PHE HBx 1.0 . 4.15 966 776 A 72 PHE HBy A 73 GLU H 1.0 . 4.15 967 777 A 72 PHE HE% A 74 ASP HBx 1.0 . 5.01 968 778 A 72 PHE HE% A 74 ASP HBy 1.0 . 5.01 969 779 A 72 PHE HE% A 74 ASP HBy 1.0 . 4.35 970 779 A 72 PHE HE% A 74 ASP HBx 1.0 . 4.35 971 780 A 72 PHE HA A 82 VAL HA 1.0 . 4.79 972 781 A 82 VAL HGy% A 72 PHE HA 1.0 . 4.61 973 782 A 82 VAL HGy% A 72 PHE HD% 1.0 . 3.94 974 783 A 83 ALA H A 72 PHE HA 1.0 . 4.49 975 784 A 73 GLU H A 73 GLU HBx 1.0 . 3.55 976 784 A 73 GLU H A 73 GLU HBy 1.0 . 3.55 977 785 A 73 GLU H A 74 ASP H 1.0 . 4.58 978 786 A 74 ASP H A 73 GLU HA 1.0 . 3.11 979 787 A 74 ASP HBx A 74 ASP H 1.0 . 3.70 980 788 A 74 ASP H A 74 ASP HBy 1.0 . 3.70 981 789 A 74 ASP H A 74 ASP HBy 1.0 . 3.23 982 789 A 74 ASP HBx A 74 ASP H 1.0 . 3.23 983 790 A 75 ARG HA A 75 ARG HDx 1.0 . 4.94 984 791 A 76 LYS HA A 76 LYS HGx 1.0 . 4.21 985 792 A 76 LYS HA A 76 LYS HGy 1.0 . 4.21 986 793 A 76 LYS HA A 76 LYS HDx 1.0 . 4.76 987 794 A 76 LYS HA A 76 LYS HDy 1.0 . 4.76 988 795 A 76 LYS HGx A 76 LYS HEx 1.0 . 4.03 989 795 A 76 LYS HEy A 76 LYS HGx 1.0 . 4.03 990 796 A 76 LYS HEx A 76 LYS HGy 1.0 . 4.03 991 796 A 76 LYS HEy A 76 LYS HGy 1.0 . 4.03 992 797 A 76 LYS HA A 76 LYS HGy 1.0 . 3.58 993 797 A 76 LYS HA A 76 LYS HGx 1.0 . 3.58 994 798 A 76 LYS HA A 76 LYS HDx 1.0 . 4.04 995 798 A 76 LYS HA A 76 LYS HDy 1.0 . 4.04 996 799 A 76 LYS HBy A 76 LYS HEx 1.0 . 4.86 997 799 A 76 LYS HEy A 76 LYS HBx 1.0 . 4.86 998 799 A 76 LYS HEy A 76 LYS HBy 1.0 . 4.86 999 799 A 76 LYS HBx A 76 LYS HEx 1.0 . 4.86 1000 800 A 76 LYS HA A 77 ASP HA 1.0 . 4.84 1001 801 A 78 GLY H A 79 SER H 1.0 . 4.21 1002 802 A 82 VAL H A 81 GLY H 1.0 . 5.34 1003 803 A 82 VAL H A 82 VAL HGy% 1.0 . 3.96 1004 804 A 82 VAL HGx% A 82 VAL HA 1.0 . 3.56 1005 805 A 82 VAL HGy% A 82 VAL HA 1.0 . 3.72 1006 806 A 83 ALA H A 82 VAL HA 1.0 . 2.94 1007 807 A 82 VAL HGx% A 83 ALA H 1.0 . 3.25 1008 808 A 82 VAL HB A 83 ALA H 1.0 . 4.77 1009 809 A 83 ALA HA A 82 VAL HGx% 1.0 . 4.49 1010 810 A 84 TYR HD% A 82 VAL HGx% 1.0 . 4.15 1011 811 A 83 ALA HB% A 83 ALA H 1.0 . 4.11 1012 812 A 83 ALA HB% A 83 ALA H 1.0 . 4.11 1013 813 A 83 ALA HB% A 83 ALA H 1.0 . 3.55 1014 814 A 84 TYR H A 83 ALA HA 1.0 . 3.01 1015 815 A 83 ALA HB% A 84 TYR H 1.0 . 4.24 1016 816 A 84 TYR H A 83 ALA H 1.0 . 4.52 1017 817 A 83 ALA HB% A 84 TYR H 1.0 . 4.24 1018 818 A 83 ALA HB% A 84 TYR H 1.0 . 3.59 1019 819 A 84 TYR H A 84 TYR HBx 1.0 . 4.13 1020 819 A 84 TYR H A 84 TYR HBy 1.0 . 4.13 1021 820 A 84 TYR H A 84 TYR HD% 1.0 . 3.73 1022 821 A 84 TYR HD% A 84 TYR HA 1.0 . 4.26 1023 822 A 84 TYR HE% A 84 TYR HH 1.0 . 3.43 1024 823 A 84 TYR HD% A 85 VAL H 1.0 . 4.14 1025 824 A 84 TYR HA A 85 VAL H 1.0 . 3.02 1026 825 A 85 VAL H A 84 TYR HBx 1.0 . 3.34 1027 825 A 84 TYR HBy A 85 VAL H 1.0 . 3.34 1028 826 A 84 TYR H A 85 VAL H 1.0 . 4.63 1029 827 A 84 TYR HA A 85 VAL HB 1.0 . 4.66 1030 828 A 84 TYR HD% A 85 VAL HA 1.0 . 4.52 1031 829 A 84 TYR HE% A 85 VAL HA 1.0 . 5.50 1032 830 A 86 VAL H A 84 TYR HD% 1.0 . 4.37 1033 831 A 84 TYR HE% A 94 VAL HG21 1.0 . 4.10 1034 832 A 94 VAL HG21 A 84 TYR HD% 1.0 . 4.92 1035 833 A 94 VAL HG21 A 84 TYR HH 1.0 . 4.64 1036 834 A 110 VAL HGx% A 84 TYR HH 1.0 . 3.60 1037 835 A 110 VAL HG21 A 84 TYR HH 1.0 . 4.30 1038 836 A 84 TYR HE% A 110 VAL HGx% 1.0 . 4.43 1039 837 A 84 TYR HE% A 112 VAL HGy% 1.0 . 3.90 1040 838 A 85 VAL H A 85 VAL HB 1.0 . 3.43 1041 839 A 85 VAL HG21 A 85 VAL H 1.0 . 3.98 1042 840 A 85 VAL HGx% A 85 VAL H 1.0 . 3.80 1043 841 A 85 VAL HGx% A 85 VAL H 1.0 . 4.47 1044 842 A 85 VAL HG21 A 85 VAL HA 1.0 . 3.09 1045 843 A 85 VAL HGx% A 85 VAL HA 1.0 . 4.08 1046 844 A 85 VAL HGx% A 85 VAL HA 1.0 . 3.93 1047 845 A 85 VAL HGx% A 85 VAL HB 1.0 . 3.49 1048 846 A 85 VAL HGx% A 85 VAL HB 1.0 . 3.80 1049 847 A 86 VAL H A 85 VAL HA 1.0 . 2.94 1050 848 A 86 VAL H A 85 VAL HG21 1.0 . 3.58 1051 849 A 86 VAL H A 85 VAL HGx% 1.0 . 4.45 1052 850 A 86 VAL H A 85 VAL H 1.0 . 4.58 1053 851 A 85 VAL HA A 86 VAL HA 1.0 . 4.87 1054 852 A 86 VAL H A 85 VAL HB 1.0 . 5.03 1055 853 A 86 VAL HA A 85 VAL HB 1.0 . 4.16 1056 854 A 85 VAL HG21 A 87 GLN HE2x 1.0 . 4.19 1057 855 A 85 VAL HG21 A 87 GLN HE2y 1.0 . 4.19 1058 856 A 87 GLN HA A 85 VAL HB 1.0 . 4.32 1059 857 A 85 VAL HG21 A 87 GLN HGy 1.0 . 4.92 1060 858 A 85 VAL HG21 A 87 GLN HGx 1.0 . 4.92 1061 859 A 85 VAL HG21 A 87 GLN HGx 1.0 . 4.18 1062 859 A 85 VAL HG21 A 87 GLN HGy 1.0 . 4.18 1063 860 A 86 VAL HA A 87 GLN H 1.0 . 2.92 1064 861 A 87 GLN HA A 86 VAL HA 1.0 . 4.48 1065 862 A 86 VAL HA A 87 GLN HGx 1.0 . 4.60 1066 862 A 86 VAL HA A 87 GLN HGy 1.0 . 4.60 1067 863 A 88 GLU H A 86 VAL HA 1.0 . 4.13 1068 864 A 87 GLN HBx A 87 GLN H 1.0 . 3.26 1069 865 A 87 GLN H A 87 GLN HBy 1.0 . 3.61 1070 866 A 87 GLN H A 87 GLN HGx 1.0 . 4.01 1071 867 A 87 GLN H A 87 GLN HGy 1.0 . 4.01 1072 868 A 87 GLN HA A 87 GLN HGx 1.0 . 4.07 1073 869 A 87 GLN HA A 87 GLN HGy 1.0 . 4.07 1074 870 A 87 GLN H A 87 GLN HGx 1.0 . 3.48 1075 870 A 87 GLN H A 87 GLN HGy 1.0 . 3.48 1076 871 A 87 GLN HA A 87 GLN HGx 1.0 . 3.57 1077 871 A 87 GLN HA A 87 GLN HGy 1.0 . 3.57 1078 872 A 87 GLN HE2x A 87 GLN HGy 1.0 . 3.14 1079 872 A 87 GLN HE2y A 87 GLN HGx 1.0 . 3.14 1080 872 A 87 GLN HE2y A 87 GLN HGy 1.0 . 3.14 1081 872 A 87 GLN HE2x A 87 GLN HGx 1.0 . 3.14 1082 873 A 88 GLU H A 87 GLN H 1.0 . 3.28 1083 874 A 88 GLU H A 87 GLN HBx 1.0 . 3.33 1084 875 A 88 GLU H A 87 GLN HBy 1.0 . 4.45 1085 876 A 87 GLN HBx A 88 GLU HGy 1.0 . 3.82 1086 876 A 87 GLN HBx A 88 GLU HGx 1.0 . 3.82 1087 877 A 88 GLU H A 88 GLU HGx 1.0 . 4.13 1088 878 A 88 GLU H A 88 GLU HBx 1.0 . 3.37 1089 879 A 88 GLU H A 88 GLU HGy 1.0 . 4.13 1090 880 A 88 GLU H A 88 GLU HBy 1.0 . 4.12 1091 881 A 88 GLU HA A 88 GLU HGx 1.0 . 4.13 1092 882 A 88 GLU HA A 88 GLU HGy 1.0 . 4.13 1093 883 A 88 GLU H A 88 GLU HGy 1.0 . 3.39 1094 883 A 88 GLU H A 88 GLU HGx 1.0 . 3.39 1095 884 A 88 GLU HA A 89 PRO HGx 1.0 . 4.60 1096 885 A 88 GLU HA A 89 PRO HGy 1.0 . 4.59 1097 886 A 88 GLU HA A 89 PRO HDy 1.0 . 3.31 1098 887 A 88 GLU HA A 89 PRO HDx 1.0 . 3.28 1099 888 A 89 PRO HDy A 88 GLU HBy 1.0 . 4.43 1100 889 A 89 PRO HDy A 88 GLU HBx 1.0 . 4.84 1101 890 A 89 PRO HDx A 88 GLU HBx 1.0 . 3.90 1102 891 A 89 PRO HDx A 88 GLU HBy 1.0 . 3.59 1103 892 A 89 PRO HDx A 88 GLU HGy 1.0 . 4.26 1104 892 A 89 PRO HDx A 88 GLU HGx 1.0 . 4.26 1105 893 A 88 GLU H A 92 TYR HE% 1.0 . 4.63 1106 894 A 88 GLU H A 92 TYR HH 1.0 . 3.35 1107 895 A 92 TYR HH A 88 GLU HBy 1.0 . 4.62 1108 896 A 92 TYR HH A 88 GLU HBx 1.0 . 4.22 1109 897 A 89 PRO HA A 90 GLY H 1.0 . 2.99 1110 898 A 89 PRO HBx A 90 GLY H 1.0 . 3.68 1111 899 A 89 PRO HGx A 90 GLY H 1.0 . 5.02 1112 900 A 89 PRO HBy A 90 GLY H 1.0 . 4.09 1113 901 A 89 PRO HA A 92 TYR HE% 1.0 . 4.39 1114 902 A 112 VAL HGx% A 89 PRO HA 1.0 . 3.34 1115 903 A 112 VAL HGx% A 89 PRO HBx 1.0 . 4.64 1116 904 A 112 VAL HGx% A 89 PRO HBy 1.0 . 4.60 1117 905 A 113 ALA HB% A 89 PRO HBx 1.0 . 5.16 1118 906 A 89 PRO HBx A 113 ALA HA 1.0 . 4.02 1119 907 A 89 PRO HBy A 113 ALA HA 1.0 . 3.99 1120 908 A 91 ASP H A 90 GLY H 1.0 . 4.46 1121 909 A 90 GLY H A 91 ASP HA 1.0 . 5.00 1122 910 A 92 TYR HE% A 90 GLY H 1.0 . 3.86 1123 911 A 90 GLY H A 111 PRO HA 1.0 . 5.20 1124 912 A 90 GLY H A 112 VAL H 1.0 . 3.68 1125 913 A 112 VAL HB A 90 GLY H 1.0 . 3.33 1126 914 A 112 VAL HGx% A 90 GLY H 1.0 . 3.81 1127 915 A 112 VAL HGy% A 90 GLY H 1.0 . 4.18 1128 916 A 90 GLY H A 113 ALA HA 1.0 . 4.81 1129 917 A 91 ASP H A 91 ASP HBx 1.0 . 3.73 1130 918 A 91 ASP H A 91 ASP HBy 1.0 . 3.73 1131 919 A 91 ASP H A 91 ASP HBy 1.0 . 3.03 1132 919 A 91 ASP H A 91 ASP HBx 1.0 . 3.03 1133 920 A 91 ASP H A 92 TYR H 1.0 . 4.49 1134 921 A 91 ASP HA A 92 TYR H 1.0 . 2.93 1135 922 A 91 ASP HBx A 92 TYR H 1.0 . 4.59 1136 923 A 92 TYR HD% A 91 ASP HA 1.0 . 4.47 1137 924 A 92 TYR HBy A 91 ASP HA 1.0 . 4.63 1138 925 A 92 TYR H A 91 ASP HBy 1.0 . 3.81 1139 925 A 91 ASP HBx A 92 TYR H 1.0 . 3.81 1140 926 A 91 ASP HA A 109 VAL HGx% 1.0 . 4.04 1141 927 A 91 ASP HBx A 109 VAL HGx% 1.0 . 3.80 1142 928 A 109 VAL HGx% A 91 ASP HBy 1.0 . 3.80 1143 929 A 91 ASP HBx A 109 VAL HG21 1.0 . 4.43 1144 930 A 109 VAL HG21 A 91 ASP HBy 1.0 . 4.43 1145 931 A 109 VAL HGx% A 91 ASP HBy 1.0 . 3.23 1146 931 A 91 ASP HBx A 109 VAL HGx% 1.0 . 3.23 1147 932 A 109 VAL HG21 A 91 ASP HBy 1.0 . 3.79 1148 932 A 91 ASP HBx A 109 VAL HG21 1.0 . 3.79 1149 933 A 91 ASP HA A 110 VAL HB 1.0 . 5.50 1150 934 A 91 ASP H A 111 PRO HA 1.0 . 4.82 1151 935 A 91 ASP HA A 111 PRO HA 1.0 . 3.52 1152 936 A 91 ASP HA A 111 PRO HBy 1.0 . 5.02 1153 937 A 91 ASP HA A 111 PRO HBx 1.0 . 5.50 1154 938 A 91 ASP HA A 112 VAL H 1.0 . 3.73 1155 939 A 112 VAL HB A 91 ASP HA 1.0 . 5.44 1156 940 A 92 TYR HD% A 92 TYR H 1.0 . 3.63 1157 941 A 92 TYR HBx A 92 TYR H 1.0 . 4.19 1158 942 A 92 TYR HE% A 92 TYR HH 1.0 . 3.43 1159 943 A 93 GLU H A 92 TYR HA 1.0 . 3.11 1160 944 A 92 TYR HBy A 93 GLU H 1.0 . 4.63 1161 945 A 92 TYR HBx A 93 GLU H 1.0 . 3.79 1162 946 A 92 TYR HD% A 93 GLU H 1.0 . 4.47 1163 947 A 94 VAL HG21 A 92 TYR HBx 1.0 . 4.40 1164 948 A 92 TYR H A 109 VAL HB 1.0 . 4.46 1165 949 A 92 TYR H A 110 VAL H 1.0 . 3.97 1166 950 A 92 TYR H A 110 VAL HB 1.0 . 4.22 1167 951 A 92 TYR HBy A 110 VAL H 1.0 . 4.57 1168 952 A 92 TYR HBy A 110 VAL HB 1.0 . 3.97 1169 953 A 92 TYR HBx A 110 VAL HB 1.0 . 4.78 1170 954 A 111 PRO HA A 92 TYR H 1.0 . 3.84 1171 955 A 92 TYR HD% A 112 VAL H 1.0 . 4.20 1172 956 A 92 TYR HE% A 112 VAL H 1.0 . 4.81 1173 957 A 112 VAL HGy% A 92 TYR H 1.0 . 4.17 1174 958 A 112 VAL HGy% A 92 TYR HBy 1.0 . 3.97 1175 959 A 112 VAL HGy% A 92 TYR HBx 1.0 . 5.01 1176 960 A 112 VAL HB A 92 TYR HE% 1.0 . 3.57 1177 961 A 112 VAL HB A 92 TYR HD% 1.0 . 4.00 1178 962 A 112 VAL HGy% A 92 TYR HD% 1.0 . 3.54 1179 963 A 112 VAL HGx% A 92 TYR HE% 1.0 . 3.99 1180 964 A 112 VAL HGy% A 92 TYR HE% 1.0 . 3.81 1181 965 A 93 GLU H A 93 GLU HBy 1.0 . 3.39 1182 966 A 93 GLU H A 93 GLU HBx 1.0 . 3.31 1183 967 A 93 GLU H A 93 GLU HGy 1.0 . 4.57 1184 968 A 93 GLU H A 93 GLU HGx 1.0 . 4.78 1185 969 A 93 GLU HGx A 93 GLU HA 1.0 . 3.97 1186 970 A 93 GLU HGy A 93 GLU HA 1.0 . 4.06 1187 971 A 93 GLU HA A 94 VAL H 1.0 . 2.99 1188 972 A 93 GLU H A 94 VAL H 1.0 . 4.68 1189 973 A 94 VAL HB A 93 GLU HA 1.0 . 4.84 1190 974 A 93 GLU HBy A 94 VAL H 1.0 . 4.68 1191 975 A 93 GLU HBx A 94 VAL H 1.0 . 4.67 1192 976 A 93 GLU HGy A 94 VAL H 1.0 . 4.73 1193 977 A 93 GLU HGx A 94 VAL H 1.0 . 4.73 1194 978 A 94 VAL HG21 A 93 GLU HA 1.0 . 4.41 1195 979 A 93 GLU HGy A 107 PRO HBx 1.0 . 3.96 1196 980 A 93 GLU HGx A 107 PRO HBy 1.0 . 4.11 1197 981 A 93 GLU HGx A 107 PRO HBx 1.0 . 4.02 1198 982 A 93 GLU HA A 109 VAL HA 1.0 . 3.72 1199 983 A 109 VAL HGx% A 93 GLU HA 1.0 . 3.93 1200 984 A 93 GLU HBx A 109 VAL HGx% 1.0 . 3.82 1201 985 A 93 GLU HBy A 109 VAL HGx% 1.0 . 4.52 1202 986 A 109 VAL HG21 A 93 GLU HGy 1.0 . 4.20 1203 987 A 109 VAL HG21 A 93 GLU HA 1.0 . 5.27 1204 988 A 110 VAL H A 93 GLU HA 1.0 . 3.95 1205 989 A 94 VAL HB A 94 VAL H 1.0 . 3.55 1206 990 A 94 VAL HG21 A 94 VAL H 1.0 . 3.62 1207 991 A 94 VAL HGx% A 94 VAL H 1.0 . 4.46 1208 992 A 94 VAL HGx% A 94 VAL HA 1.0 . 3.44 1209 993 A 94 VAL HG21 A 94 VAL HA 1.0 . 3.44 1210 994 A 95 SER H A 94 VAL HA 1.0 . 3.00 1211 995 A 94 VAL HGx% A 95 SER H 1.0 . 3.62 1212 996 A 94 VAL HB A 95 SER H 1.0 . 4.82 1213 997 A 94 VAL HA A 95 SER HA 1.0 . 4.53 1214 998 A 94 VAL HG21 A 95 SER H 1.0 . 4.47 1215 999 A 94 VAL HB A 96 VAL HGx% 1.0 . 3.90 1216 1000 A 94 VAL HGx% A 96 VAL HGx% 1.0 . 3.62 1217 1001 A 94 VAL HGx% A 96 VAL HGx% 1.0 . 3.79 1218 1002 A 94 VAL H A 108 PHE H 1.0 . 4.06 1219 1003 A 94 VAL H A 108 PHE HBx 1.0 . 4.02 1220 1003 A 108 PHE HBy A 94 VAL H 1.0 . 4.02 1221 1004 A 94 VAL HB A 108 PHE H 1.0 . 4.11 1222 1005 A 108 PHE HD% A 94 VAL H 1.0 . 5.03 1223 1006 A 94 VAL HB A 108 PHE HBx 1.0 . 3.50 1224 1006 A 94 VAL HB A 108 PHE HBy 1.0 . 3.50 1225 1007 A 94 VAL HG21 A 108 PHE HBx 1.0 . 3.85 1226 1007 A 94 VAL HG21 A 108 PHE HBy 1.0 . 3.85 1227 1008 A 108 PHE HD% A 94 VAL HB 1.0 . 3.95 1228 1009 A 108 PHE HD% A 94 VAL HGx% 1.0 . 4.17 1229 1010 A 94 VAL HGx% A 108 PHE HBx 1.0 . 4.04 1230 1010 A 94 VAL HGx% A 108 PHE HBy 1.0 . 4.04 1231 1011 A 94 VAL H A 109 VAL HA 1.0 . 4.23 1232 1012 A 94 VAL HB A 110 VAL HG21 1.0 . 4.39 1233 1013 A 95 SER H A 95 SER HBx 1.0 . 3.99 1234 1014 A 95 SER H A 95 SER HBy 1.0 . 3.99 1235 1015 A 95 SER H A 95 SER HBy 1.0 . 3.39 1236 1015 A 95 SER H A 95 SER HBx 1.0 . 3.39 1237 1016 A 95 SER HA A 96 VAL H 1.0 . 3.16 1238 1017 A 95 SER HBx A 96 VAL H 1.0 . 4.63 1239 1018 A 96 VAL H A 95 SER HBy 1.0 . 4.63 1240 1019 A 95 SER HBx A 102 HIS HE1 1.0 . 4.55 1241 1020 A 102 HIS HE1 A 95 SER HBy 1.0 . 4.55 1242 1021 A 102 HIS HE1 A 95 SER HBy 1.0 . 3.70 1243 1021 A 95 SER HBx A 102 HIS HE1 1.0 . 3.70 1244 1022 A 95 SER HA A 106 SER HBx 1.0 . 4.85 1245 1023 A 95 SER HA A 107 PRO HA 1.0 . 3.98 1246 1024 A 107 PRO HBy A 95 SER HA 1.0 . 4.54 1247 1025 A 107 PRO HBx A 95 SER HA 1.0 . 4.66 1248 1026 A 95 SER HBx A 107 PRO HBy 1.0 . 4.65 1249 1027 A 107 PRO HBy A 95 SER HBy 1.0 . 4.65 1250 1028 A 107 PRO HBx A 95 SER HBy 1.0 . 4.98 1251 1028 A 95 SER HBx A 107 PRO HBx 1.0 . 4.98 1252 1029 A 107 PRO HBy A 95 SER HBy 1.0 . 4.05 1253 1029 A 95 SER HBx A 107 PRO HBy 1.0 . 4.05 1254 1030 A 95 SER HA A 108 PHE H 1.0 . 4.47 1255 1031 A 96 VAL H A 96 VAL HB 1.0 . 3.99 1256 1032 A 96 VAL HG21 A 96 VAL H 1.0 . 4.22 1257 1033 A 96 VAL HGx% A 96 VAL H 1.0 . 4.23 1258 1034 A 96 VAL HGx% A 96 VAL H 1.0 . 4.15 1259 1035 A 96 VAL HA A 96 VAL HG21 1.0 . 3.26 1260 1036 A 96 VAL HGx% A 96 VAL HA 1.0 . 4.22 1261 1037 A 96 VAL HGx% A 96 VAL HA 1.0 . 4.33 1262 1038 A 96 VAL HGx% A 96 VAL HB 1.0 . 3.49 1263 1039 A 96 VAL HGx% A 96 VAL HG21 1.0 . 3.27 1264 1040 A 96 VAL HGx% A 96 VAL HG21 1.0 . 2.96 1265 1041 A 97 LYS H A 96 VAL HA 1.0 . 3.03 1266 1042 A 97 LYS H A 96 VAL HB 1.0 . 4.75 1267 1043 A 97 LYS H A 96 VAL HG21 1.0 . 3.36 1268 1044 A 96 VAL HG21 A 97 LYS HA 1.0 . 3.65 1269 1045 A 96 VAL HGx% A 97 LYS H 1.0 . 5.25 1270 1046 A 98 PHE H A 96 VAL HG21 1.0 . 4.07 1271 1047 A 96 VAL H A 102 HIS HE1 1.0 . 4.70 1272 1048 A 96 VAL H A 103 ILE HG1x 1.0 . 4.66 1273 1048 A 103 ILE HG1y A 96 VAL H 1.0 . 4.66 1274 1049 A 96 VAL HB A 103 ILE H 1.0 . 5.11 1275 1050 A 96 VAL HB A 103 ILE HG1x 1.0 . 3.82 1276 1050 A 103 ILE HG1y A 96 VAL HB 1.0 . 3.82 1277 1051 A 96 VAL HB A 103 ILE HG1x 1.0 . 3.43 1278 1051 A 103 ILE HG1y A 96 VAL HB 1.0 . 3.43 1279 1052 A 96 VAL HG21 A 103 ILE HG1x 1.0 . 3.37 1280 1052 A 103 ILE HG1y A 96 VAL HG21 1.0 . 3.37 1281 1053 A 96 VAL H A 106 SER HBx 1.0 . 4.01 1282 1054 A 96 VAL H A 106 SER HBy 1.0 . 4.08 1283 1055 A 96 VAL H A 106 SER HG 1.0 . 3.50 1284 1056 A 106 SER HBx A 96 VAL HB 1.0 . 4.77 1285 1057 A 96 VAL HB A 106 SER HBy 1.0 . 4.63 1286 1058 A 96 VAL HG21 A 106 SER HBy 1.0 . 4.83 1287 1059 A 96 VAL H A 107 PRO HA 1.0 . 4.37 1288 1060 A 107 PRO HBy A 96 VAL H 1.0 . 5.01 1289 1061 A 108 PHE HE% A 96 VAL HGx% 1.0 . 3.49 1290 1062 A 108 PHE HD% A 96 VAL HGx% 1.0 . 3.94 1291 1063 A 108 PHE HD% A 96 VAL HGx% 1.0 . 4.74 1292 1064 A 108 PHE HE% A 96 VAL HGx% 1.0 . 4.51 1293 1065 A 97 LYS H A 97 LYS HBy 1.0 . 3.75 1294 1066 A 97 LYS H A 97 LYS HBx 1.0 . 3.71 1295 1067 A 97 LYS H A 97 LYS HGx 1.0 . 4.52 1296 1068 A 97 LYS HA A 97 LYS HGx 1.0 . 4.13 1297 1069 A 97 LYS HA A 97 LYS HDx 1.0 . 3.96 1298 1070 A 97 LYS HA A 97 LYS HDy 1.0 . 5.04 1299 1071 A 97 LYS HBx A 97 LYS HDy 1.0 . 3.96 1300 1072 A 97 LYS HBx A 97 LYS HDx 1.0 . 4.14 1301 1073 A 97 LYS HGx A 97 LYS HEx 1.0 . 3.70 1302 1073 A 97 LYS HGx A 97 LYS HEy 1.0 . 3.70 1303 1074 A 98 PHE H A 97 LYS HA 1.0 . 3.06 1304 1075 A 98 PHE H A 97 LYS HGx 1.0 . 4.38 1305 1076 A 98 PHE H A 97 LYS HBy 1.0 . 3.95 1306 1077 A 99 ASN H A 97 LYS HBy 1.0 . 5.40 1307 1078 A 97 LYS HBy A 100 GLU H 1.0 . 4.16 1308 1079 A 97 LYS HBx A 100 GLU H 1.0 . 4.75 1309 1080 A 97 LYS HBx A 100 GLU HA 1.0 . 4.54 1310 1081 A 97 LYS HBy A 100 GLU HA 1.0 . 3.93 1311 1082 A 97 LYS HDx A 100 GLU H 1.0 . 5.06 1312 1083 A 97 LYS HDy A 100 GLU HA 1.0 . 4.69 1313 1084 A 97 LYS HDx A 100 GLU HA 1.0 . 3.86 1314 1085 A 97 LYS HDx A 100 GLU HBy 1.0 . 5.21 1315 1085 A 97 LYS HDx A 100 GLU HBx 1.0 . 5.21 1316 1086 A 101 GLU H A 97 LYS HA 1.0 . 4.18 1317 1087 A 101 GLU H A 97 LYS HBx 1.0 . 4.86 1318 1088 A 101 GLU H A 97 LYS HBy 1.0 . 3.62 1319 1089 A 97 LYS HA A 102 HIS H 1.0 . 4.96 1320 1090 A 97 LYS HGx A 102 HIS H 1.0 . 4.53 1321 1091 A 97 LYS HDx A 102 HIS H 1.0 . 4.78 1322 1092 A 97 LYS HA A 102 HIS HA 1.0 . 3.97 1323 1093 A 102 HIS HA A 97 LYS HGy 1.0 . 4.57 1324 1094 A 97 LYS HGx A 102 HIS HA 1.0 . 4.21 1325 1095 A 97 LYS HDy A 102 HIS H 1.0 . 4.97 1326 1096 A 97 LYS HA A 103 ILE H 1.0 . 3.91 1327 1097 A 103 ILE H A 97 LYS HGx 1.0 . 4.48 1328 1098 A 103 ILE HG21 A 97 LYS HA 1.0 . 4.61 1329 1099 A 98 PHE H A 98 PHE HBy 1.0 . 3.96 1330 1100 A 98 PHE H A 98 PHE HBx 1.0 . 3.96 1331 1101 A 98 PHE H A 98 PHE HD% 1.0 . 4.55 1332 1102 A 98 PHE HD% A 98 PHE HA 1.0 . 4.05 1333 1103 A 98 PHE H A 98 PHE HBx 1.0 . 3.41 1334 1103 A 98 PHE H A 98 PHE HBy 1.0 . 3.41 1335 1104 A 99 ASN H A 98 PHE HA 1.0 . 3.18 1336 1105 A 98 PHE HE% A 99 ASN HD2x 1.0 . 4.35 1337 1106 A 98 PHE HE% A 99 ASN HD2y 1.0 . 4.35 1338 1107 A 98 PHE HD% A 99 ASN H 1.0 . 4.63 1339 1108 A 98 PHE HA A 99 ASN HA 1.0 . 4.48 1340 1109 A 98 PHE HE% A 99 ASN HD2x 1.0 . 3.82 1341 1109 A 98 PHE HE% A 99 ASN HD2y 1.0 . 3.82 1342 1110 A 98 PHE H A 100 GLU H 1.0 . 4.59 1343 1111 A 98 PHE H A 101 GLU H 1.0 . 3.39 1344 1112 A 98 PHE H A 102 HIS HA 1.0 . 4.07 1345 1113 A 98 PHE H A 103 ILE HG21 1.0 . 4.19 1346 1114 A 98 PHE H A 103 ILE H 1.0 . 4.75 1347 1115 A 98 PHE HBy A 103 ILE HG21 1.0 . 3.96 1348 1116 A 103 ILE HG21 A 98 PHE HBx 1.0 . 3.96 1349 1117 A 103 ILE HG21 A 98 PHE HBx 1.0 . 3.46 1350 1117 A 98 PHE HBy A 103 ILE HG21 1.0 . 3.46 1351 1118 A 99 ASN HD2x A 99 ASN HBx 1.0 . 3.95 1352 1119 A 99 ASN HD2x A 99 ASN HBy 1.0 . 3.95 1353 1120 A 99 ASN HD2y A 99 ASN HBx 1.0 . 3.95 1354 1121 A 99 ASN HD2y A 99 ASN HBy 1.0 . 3.95 1355 1122 A 99 ASN HD2x A 99 ASN HBy 1.0 . 2.91 1356 1122 A 99 ASN HD2y A 99 ASN HBx 1.0 . 2.91 1357 1122 A 99 ASN HD2y A 99 ASN HBy 1.0 . 2.91 1358 1122 A 99 ASN HD2x A 99 ASN HBx 1.0 . 2.91 1359 1123 A 99 ASN H A 100 GLU H 1.0 . 3.77 1360 1124 A 100 GLU H A 99 ASN HA 1.0 . 3.45 1361 1125 A 100 GLU HA A 99 ASN HA 1.0 . 4.85 1362 1126 A 100 GLU H A 99 ASN HBx 1.0 . 4.99 1363 1127 A 100 GLU H A 99 ASN HBy 1.0 . 4.99 1364 1128 A 100 GLU H A 99 ASN HBy 1.0 . 4.34 1365 1128 A 100 GLU H A 99 ASN HBx 1.0 . 4.34 1366 1129 A 100 GLU H A 100 GLU HBx 1.0 . 4.11 1367 1130 A 100 GLU H A 100 GLU HBy 1.0 . 4.11 1368 1131 A 101 GLU H A 100 GLU H 1.0 . 3.38 1369 1132 A 101 GLU H A 100 GLU HBx 1.0 . 4.78 1370 1133 A 101 GLU H A 100 GLU HBy 1.0 . 4.78 1371 1134 A 101 GLU H A 100 GLU HBy 1.0 . 4.16 1372 1134 A 101 GLU H A 100 GLU HBx 1.0 . 4.16 1373 1135 A 101 GLU H A 101 GLU HBy 1.0 . 3.71 1374 1136 A 101 GLU H A 101 GLU HBx 1.0 . 3.30 1375 1137 A 101 GLU H A 101 GLU HGx 1.0 . 4.66 1376 1138 A 101 GLU H A 101 GLU HGy 1.0 . 3.86 1377 1139 A 101 GLU HGx A 101 GLU HA 1.0 . 3.77 1378 1140 A 101 GLU HGy A 101 GLU HA 1.0 . 4.13 1379 1141 A 101 GLU H A 102 HIS H 1.0 . 4.39 1380 1142 A 101 GLU HBy A 102 HIS H 1.0 . 3.76 1381 1143 A 101 GLU HGx A 102 HIS H 1.0 . 4.26 1382 1144 A 101 GLU HGy A 102 HIS H 1.0 . 5.01 1383 1145 A 101 GLU HA A 102 HIS HD2 1.0 . 4.39 1384 1146 A 101 GLU HBx A 102 HIS H 1.0 . 4.30 1385 1147 A 102 HIS H A 102 HIS HBx 1.0 . 3.51 1386 1148 A 102 HIS H A 102 HIS HBy 1.0 . 3.51 1387 1149 A 102 HIS H A 102 HIS HD2 1.0 . 3.53 1388 1150 A 102 HIS H A 102 HIS HBy 1.0 . 2.97 1389 1150 A 102 HIS H A 102 HIS HBx 1.0 . 2.97 1390 1151 A 102 HIS HD2 A 102 HIS HBy 1.0 . 3.49 1391 1151 A 102 HIS HD2 A 102 HIS HBx 1.0 . 3.49 1392 1152 A 103 ILE H A 102 HIS H 1.0 . 4.68 1393 1153 A 103 ILE H A 102 HIS HA 1.0 . 3.12 1394 1154 A 103 ILE H A 102 HIS HBx 1.0 . 4.84 1395 1155 A 103 ILE H A 102 HIS HBy 1.0 . 4.84 1396 1156 A 103 ILE HG21 A 102 HIS HA 1.0 . 4.45 1397 1157 A 102 HIS HA A 103 ILE HG1x 1.0 . 4.77 1398 1157 A 103 ILE HG1y A 102 HIS HA 1.0 . 4.77 1399 1158 A 103 ILE H A 102 HIS HBy 1.0 . 3.96 1400 1158 A 103 ILE H A 102 HIS HBx 1.0 . 3.96 1401 1159 A 102 HIS HE1 A 106 SER HG 1.0 . 4.25 1402 1160 A 107 PRO HBy A 102 HIS HE1 1.0 . 4.41 1403 1161 A 102 HIS HE1 A 107 PRO HGx 1.0 . 4.49 1404 1161 A 102 HIS HE1 A 107 PRO HGy 1.0 . 4.49 1405 1162 A 107 PRO HBx A 102 HIS HE1 1.0 . 5.50 1406 1163 A 102 HIS HE1 A 107 PRO HDx 1.0 . 4.49 1407 1163 A 102 HIS HE1 A 107 PRO HDy 1.0 . 4.49 1408 1164 A 103 ILE HG21 A 103 ILE H 1.0 . 3.26 1409 1165 A 103 ILE H A 103 ILE HG1x 1.0 . 3.47 1410 1165 A 103 ILE HG1y A 103 ILE H 1.0 . 3.47 1411 1166 A 103 ILE HD11 A 103 ILE H 1.0 . 3.55 1412 1167 A 103 ILE HG21 A 103 ILE HA 1.0 . 3.34 1413 1168 A 103 ILE HB A 103 ILE HD11 1.0 . 3.45 1414 1169 A 103 ILE HG21 A 103 ILE HG1x 1.0 . 3.37 1415 1169 A 103 ILE HG21 A 103 ILE HG1y 1.0 . 3.37 1416 1170 A 103 ILE HA A 104 PRO HA 1.0 . 4.58 1417 1171 A 103 ILE HA A 104 PRO HDy 1.0 . 3.62 1418 1172 A 103 ILE HA A 104 PRO HDx 1.0 . 3.71 1419 1173 A 103 ILE HB A 104 PRO HA 1.0 . 5.04 1420 1174 A 103 ILE HB A 104 PRO HGx 1.0 . 4.30 1421 1175 A 103 ILE HB A 104 PRO HDy 1.0 . 3.53 1422 1176 A 103 ILE HB A 104 PRO HDx 1.0 . 3.79 1423 1177 A 103 ILE HG21 A 104 PRO HDx 1.0 . 4.19 1424 1178 A 103 ILE HG21 A 104 PRO HDy 1.0 . 3.93 1425 1179 A 104 PRO HDx A 103 ILE HD11 1.0 . 4.47 1426 1180 A 105 ASP H A 103 ILE HG1x 1.0 . 4.85 1427 1180 A 103 ILE HG1y A 105 ASP H 1.0 . 4.85 1428 1181 A 103 ILE HD11 A 105 ASP H 1.0 . 5.09 1429 1182 A 103 ILE H A 106 SER HBy 1.0 . 4.09 1430 1183 A 103 ILE H A 106 SER HG 1.0 . 4.53 1431 1184 A 106 SER H A 103 ILE HG1x 1.0 . 3.72 1432 1184 A 103 ILE HG1y A 106 SER H 1.0 . 3.72 1433 1185 A 103 ILE H A 106 SER H 1.0 . 4.70 1434 1186 A 103 ILE HD11 A 106 SER H 1.0 . 4.28 1435 1187 A 103 ILE HG21 A 106 SER HBy 1.0 . 4.76 1436 1188 A 106 SER HBx A 103 ILE HG1x 1.0 . 4.43 1437 1188 A 103 ILE HG1y A 106 SER HBx 1.0 . 4.43 1438 1189 A 106 SER HBy A 103 ILE HG1x 1.0 . 4.08 1439 1189 A 103 ILE HG1y A 106 SER HBy 1.0 . 4.08 1440 1190 A 103 ILE HD11 A 106 SER HA 1.0 . 4.92 1441 1191 A 103 ILE HD11 A 106 SER HBx 1.0 . 5.06 1442 1192 A 103 ILE HD11 A 106 SER HBy 1.0 . 3.91 1443 1193 A 103 ILE HD11 A 108 PHE HE% 1.0 . 3.62 1444 1194 A 108 PHE HE% A 103 ILE HG1x 1.0 . 4.27 1445 1194 A 103 ILE HG1y A 108 PHE HE% 1.0 . 4.27 1446 1195 A 104 PRO HBx A 105 ASP H 1.0 . 4.15 1447 1196 A 104 PRO HGx A 105 ASP H 1.0 . 4.09 1448 1197 A 104 PRO HA A 105 ASP H 1.0 . 3.48 1449 1198 A 104 PRO HA A 105 ASP HA 1.0 . 4.92 1450 1199 A 104 PRO HBx A 105 ASP HA 1.0 . 5.03 1451 1200 A 104 PRO HBy A 105 ASP H 1.0 . 4.60 1452 1201 A 104 PRO HA A 106 SER H 1.0 . 4.04 1453 1202 A 105 ASP H A 105 ASP HBx 1.0 . 4.14 1454 1203 A 105 ASP H A 105 ASP HBy 1.0 . 4.14 1455 1204 A 105 ASP HA A 105 ASP HBx 1.0 . 3.87 1456 1205 A 105 ASP HA A 105 ASP HBy 1.0 . 3.87 1457 1206 A 105 ASP H A 105 ASP HBy 1.0 . 3.76 1458 1206 A 105 ASP H A 105 ASP HBx 1.0 . 3.76 1459 1207 A 105 ASP H A 106 SER H 1.0 . 3.58 1460 1208 A 106 SER H A 105 ASP HA 1.0 . 3.36 1461 1209 A 106 SER H A 105 ASP HBx 1.0 . 4.51 1462 1210 A 106 SER H A 105 ASP HBy 1.0 . 4.51 1463 1211 A 106 SER H A 105 ASP HBy 1.0 . 3.95 1464 1211 A 106 SER H A 105 ASP HBx 1.0 . 3.95 1465 1212 A 108 PHE HE% A 105 ASP HBx 1.0 . 4.22 1466 1213 A 108 PHE HE% A 105 ASP HBy 1.0 . 4.22 1467 1214 A 108 PHE HE% A 105 ASP HBy 1.0 . 3.70 1468 1214 A 108 PHE HE% A 105 ASP HBx 1.0 . 3.70 1469 1215 A 106 SER HBy A 106 SER H 1.0 . 3.35 1470 1216 A 106 SER HG A 106 SER H 1.0 . 4.12 1471 1217 A 106 SER HBx A 106 SER H 1.0 . 4.18 1472 1218 A 107 PRO HA A 106 SER H 1.0 . 4.89 1473 1219 A 107 PRO HA A 106 SER HG 1.0 . 4.19 1474 1220 A 106 SER HBx A 107 PRO HA 1.0 . 4.05 1475 1221 A 107 PRO HA A 106 SER HBy 1.0 . 4.56 1476 1222 A 108 PHE H A 106 SER HA 1.0 . 3.95 1477 1223 A 108 PHE H A 106 SER HBx 1.0 . 4.37 1478 1224 A 108 PHE HE% A 106 SER H 1.0 . 4.41 1479 1225 A 108 PHE HD% A 106 SER HA 1.0 . 4.44 1480 1226 A 108 PHE HE% A 106 SER HBx 1.0 . 4.17 1481 1227 A 108 PHE HE% A 106 SER HBy 1.0 . 4.01 1482 1228 A 108 PHE HD% A 106 SER HBx 1.0 . 4.75 1483 1229 A 108 PHE HD% A 106 SER HBy 1.0 . 4.71 1484 1230 A 108 PHE H A 107 PRO HA 1.0 . 3.24 1485 1231 A 107 PRO HBy A 108 PHE H 1.0 . 4.14 1486 1232 A 107 PRO HBx A 108 PHE H 1.0 . 3.96 1487 1233 A 108 PHE HD% A 107 PRO HA 1.0 . 4.21 1488 1234 A 108 PHE H A 108 PHE HBx 1.0 . 3.42 1489 1234 A 108 PHE HBy A 108 PHE H 1.0 . 3.42 1490 1235 A 108 PHE HD% A 108 PHE H 1.0 . 3.31 1491 1236 A 108 PHE HD% A 108 PHE HA 1.0 . 3.92 1492 1237 A 108 PHE HE% A 108 PHE H 1.0 . 4.72 1493 1238 A 108 PHE HA A 109 VAL H 1.0 . 3.01 1494 1239 A 109 VAL H A 108 PHE HBx 1.0 . 3.97 1495 1239 A 108 PHE HBy A 109 VAL H 1.0 . 3.97 1496 1240 A 108 PHE HD% A 109 VAL H 1.0 . 4.14 1497 1241 A 108 PHE H A 109 VAL H 1.0 . 4.76 1498 1242 A 109 VAL HB A 108 PHE HA 1.0 . 4.84 1499 1243 A 109 VAL HB A 108 PHE HA 1.0 . 4.53 1500 1244 A 110 VAL HG21 A 108 PHE HBx 1.0 . 3.50 1501 1244 A 108 PHE HBy A 110 VAL HG21 1.0 . 3.50 1502 1245 A 109 VAL HB A 109 VAL H 1.0 . 3.32 1503 1246 A 109 VAL HB A 109 VAL H 1.0 . 3.24 1504 1247 A 109 VAL HGx% A 109 VAL HA 1.0 . 3.32 1505 1248 A 109 VAL HG21 A 109 VAL HA 1.0 . 4.00 1506 1249 A 109 VAL HB A 109 VAL HGx% 1.0 . 3.41 1507 1250 A 109 VAL HB A 109 VAL HGx% 1.0 . 3.69 1508 1251 A 109 VAL HB A 109 VAL HG21 1.0 . 3.41 1509 1252 A 109 VAL HB A 109 VAL HG21 1.0 . 3.34 1510 1253 A 109 VAL HG21 A 109 VAL H 1.0 . 4.59 1511 1254 A 110 VAL H A 109 VAL H 1.0 . 4.50 1512 1255 A 110 VAL H A 109 VAL HA 1.0 . 2.88 1513 1256 A 109 VAL HB A 110 VAL H 1.0 . 4.62 1514 1257 A 109 VAL HB A 110 VAL H 1.0 . 4.35 1515 1258 A 110 VAL HG21 A 109 VAL HA 1.0 . 4.34 1516 1259 A 109 VAL HG21 A 110 VAL H 1.0 . 5.14 1517 1260 A 110 VAL HB A 110 VAL H 1.0 . 3.39 1518 1261 A 110 VAL HGx% A 110 VAL HA 1.0 . 3.31 1519 1262 A 110 VAL HG21 A 110 VAL HA 1.0 . 3.44 1520 1263 A 110 VAL HA A 111 PRO HGy 1.0 . 4.69 1521 1264 A 111 PRO HGx A 110 VAL HA 1.0 . 4.69 1522 1265 A 111 PRO HDx A 110 VAL HA 1.0 . 3.23 1523 1266 A 110 VAL HA A 111 PRO HDy 1.0 . 3.23 1524 1267 A 110 VAL HGx% A 111 PRO HDy 1.0 . 3.92 1525 1268 A 110 VAL HGx% A 111 PRO HDx 1.0 . 3.92 1526 1269 A 110 VAL HGx% A 111 PRO HGy 1.0 . 5.08 1527 1270 A 110 VAL HGx% A 111 PRO HGx 1.0 . 5.08 1528 1271 A 110 VAL H A 111 PRO HDy 1.0 . 4.63 1529 1271 A 111 PRO HDx A 110 VAL H 1.0 . 4.63 1530 1272 A 110 VAL HA A 111 PRO HGy 1.0 . 4.02 1531 1272 A 111 PRO HGx A 110 VAL HA 1.0 . 4.02 1532 1273 A 110 VAL HA A 111 PRO HDy 1.0 . 2.82 1533 1273 A 111 PRO HDx A 110 VAL HA 1.0 . 2.82 1534 1274 A 110 VAL HGx% A 111 PRO HGy 1.0 . 4.33 1535 1274 A 110 VAL HGx% A 111 PRO HGx 1.0 . 4.33 1536 1275 A 110 VAL HGx% A 111 PRO HDy 1.0 . 3.37 1537 1275 A 110 VAL HGx% A 111 PRO HDx 1.0 . 3.37 1538 1276 A 112 VAL HGy% A 110 VAL HB 1.0 . 4.17 1539 1277 A 111 PRO HA A 112 VAL H 1.0 . 2.88 1540 1278 A 112 VAL H A 111 PRO HBx 1.0 . 4.22 1541 1279 A 112 VAL H A 111 PRO HDy 1.0 . 4.96 1542 1279 A 111 PRO HDx A 112 VAL H 1.0 . 4.96 1543 1280 A 113 ALA HB% A 111 PRO HBy 1.0 . 5.50 1544 1281 A 113 ALA HB% A 111 PRO HBx 1.0 . 4.02 1545 1282 A 112 VAL HB A 112 VAL H 1.0 . 3.20 1546 1283 A 112 VAL HA A 112 VAL HGx% 1.0 . 3.39 1547 1284 A 112 VAL HA A 112 VAL HGy% 1.0 . 3.40 1548 1285 A 113 ALA H A 112 VAL H 1.0 . 4.68 1549 1286 A 112 VAL HA A 113 ALA H 1.0 . 2.93 1550 1287 A 113 ALA H A 112 VAL HB 1.0 . 4.66 1551 1288 A 113 ALA HB% A 112 VAL HB 1.0 . 5.50 1552 1289 A 112 VAL HGx% A 113 ALA HA 1.0 . 4.82 1553 1290 A 112 VAL HGy% A 113 ALA H 1.0 . 4.20 1554 1291 A 113 ALA HB% A 113 ALA H 1.0 . 3.59 1555 1292 A 113 ALA HB% A 113 ALA HA 1.0 . 3.13 1556 1293 A 113 ALA HB% A 113 ALA HA 1.0 . 4.18 stop_ save_