data_nef_c16805_2kw2 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 3lmo stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 THR middle . . 3 A 3 SER middle . . 4 A 4 THR middle . . 5 A 5 PHE middle . . 6 A 6 ASP middle . . 7 A 7 ARG middle . . 8 A 8 VAL middle . . 9 A 9 ALA middle . . 10 A 10 THR middle . . 11 A 11 ILE middle . . 12 A 12 ILE middle . . 13 A 13 ALA middle . . 14 A 14 GLU middle . . 15 A 15 THR middle . . 16 A 16 CYS middle . . 17 A 17 ASP middle . . 18 A 18 ILE middle . . 19 A 19 PRO middle . false 20 A 20 ARG middle . . 21 A 21 GLU middle . . 22 A 22 THR middle . . 23 A 23 ILE middle . . 24 A 24 THR middle . . 25 A 25 PRO middle . false 26 A 26 GLU middle . . 27 A 27 SER middle . . 28 A 28 HIS middle . . 29 A 29 ALA middle . . 30 A 30 ILE middle . . 31 A 31 ASP middle . . 32 A 32 ASP middle . . 33 A 33 LEU middle . . 34 A 34 GLY middle . false 35 A 35 ILE middle . . 36 A 36 ASP middle . . 37 A 37 SER middle . . 38 A 38 LEU middle . . 39 A 39 ASP middle . . 40 A 40 PHE middle . . 41 A 41 LEU middle . . 42 A 42 ASP middle . . 43 A 43 ILE middle . . 44 A 44 ALA middle . . 45 A 45 PHE middle . . 46 A 46 ALA middle . . 47 A 47 ILE middle . . 48 A 48 ASP middle . . 49 A 49 LYS middle . . 50 A 50 ALA middle . . 51 A 51 PHE middle . . 52 A 52 GLY middle . false 53 A 53 ILE middle . . 54 A 54 LYS middle . . 55 A 55 LEU middle . . 56 A 56 PRO middle . false 57 A 57 LEU middle . . 58 A 58 GLU middle . . 59 A 59 LYS middle . . 60 A 60 TRP middle . . 61 A 61 THR middle . . 62 A 62 GLN middle . . 63 A 63 GLU middle . . 64 A 64 VAL middle . . 65 A 65 ASN middle . . 66 A 66 ASP middle . . 67 A 67 GLY middle . false 68 A 68 LYS middle . . 69 A 69 ALA middle . . 70 A 70 THR middle . . 71 A 71 THR middle . . 72 A 72 GLU middle . . 73 A 73 GLN middle . . 74 A 74 TYR middle . . 75 A 75 PHE middle . . 76 A 76 VAL middle . . 77 A 77 LEU middle . . 78 A 78 LYS middle . . 79 A 79 ASN middle . . 80 A 80 LEU middle . . 81 A 81 ALA middle . . 82 A 82 ALA middle . . 83 A 83 ARG middle . . 84 A 84 ILE middle . . 85 A 85 ASP middle . . 86 A 86 GLU middle . . 87 A 87 LEU middle . . 88 A 88 VAL middle . . 89 A 89 ALA middle . . 90 A 90 ALA middle . . 91 A 91 LYS middle . . 92 A 92 GLY middle . false 93 A 93 ALA middle . . 94 A 94 LEU middle . . 95 A 95 GLU middle . . 96 A 96 HIS middle . . 97 A 97 HIS middle . . 98 A 98 HIS middle . . 99 A 99 HIS middle . . 100 A 100 HIS middle . . 101 A 101 HIS 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 4.190 0.03 A 1 MET HBx H 1 2.657 0.03 A 1 MET HBy H 1 2.657 0.03 A 1 MET HE% H 1 2.125 0.03 A 1 MET HGx H 1 2.194 0.03 A 1 MET HGy H 1 2.194 0.03 A 1 MET CA C 13 55.182 0.3 A 1 MET CB C 13 31.021 0.3 A 1 MET CE C 13 16.846 0.3 A 1 MET CG C 13 33.341 0.3 A 2 THR HA H 1 4.572 0.03 A 2 THR HB H 1 4.259 0.03 A 2 THR HG2% H 1 1.327 0.03 A 2 THR C C 13 174.411 0.3 A 2 THR CA C 13 61.818 0.3 A 2 THR CB C 13 70.142 0.3 A 2 THR CG2 C 13 22.009 0.3 A 3 SER H H 1 9.133 0.03 A 3 SER HA H 1 4.748 0.03 A 3 SER HBy H 1 4.399 0.03 A 3 SER HBx H 1 4.151 0.03 A 3 SER C C 13 174.937 0.3 A 3 SER CA C 13 58.122 0.3 A 3 SER CB C 13 65.053 0.3 A 3 SER N N 15 120.759 0.3 A 4 THR H H 1 8.914 0.03 A 4 THR HA H 1 4.232 0.03 A 4 THR HB H 1 4.025 0.03 A 4 THR HG2% H 1 1.139 0.03 A 4 THR C C 13 176.238 0.3 A 4 THR CA C 13 67.564 0.3 A 4 THR CB C 13 67.526 0.3 A 4 THR CG2 C 13 22.886 0.3 A 4 THR N N 15 120.456 0.3 A 5 PHE H H 1 9.106 0.03 A 5 PHE HA H 1 3.791 0.03 A 5 PHE HBy H 1 3.171 0.03 A 5 PHE HBx H 1 2.907 0.03 A 5 PHE HDx H 1 6.995 0.03 A 5 PHE HDy H 1 6.995 0.03 A 5 PHE HEx H 1 7.170 0.03 A 5 PHE HEy H 1 7.170 0.03 A 5 PHE HZ H 1 6.872 0.03 A 5 PHE C C 13 174.955 0.3 A 5 PHE CA C 13 62.704 0.3 A 5 PHE CB C 13 38.669 0.3 A 5 PHE CDx C 13 131.740 0.3 A 5 PHE CDy C 13 131.740 0.3 A 5 PHE CEx C 13 130.986 0.3 A 5 PHE CEy C 13 130.986 0.3 A 5 PHE CZ C 13 128.681 0.3 A 5 PHE N N 15 121.110 0.3 A 6 ASP HA H 1 3.831 0.03 A 6 ASP HBy H 1 2.851 0.03 A 6 ASP HBx H 1 2.646 0.03 A 6 ASP C C 13 179.253 0.3 A 6 ASP CA C 13 57.848 0.3 A 6 ASP CB C 13 40.855 0.3 A 7 ARG H H 1 8.037 0.03 A 7 ARG HA H 1 4.051 0.03 A 7 ARG HBy H 1 2.154 0.03 A 7 ARG HBx H 1 2.021 0.03 A 7 ARG HDy H 1 3.160 0.03 A 7 ARG HDx H 1 2.990 0.03 A 7 ARG HE H 1 7.121 0.03 A 7 ARG HGy H 1 1.917 0.03 A 7 ARG HGx H 1 1.613 0.03 A 7 ARG C C 13 179.419 0.3 A 7 ARG CA C 13 59.316 0.3 A 7 ARG CB C 13 31.146 0.3 A 7 ARG CD C 13 43.632 0.3 A 7 ARG CG C 13 27.130 0.3 A 7 ARG N N 15 119.106 0.3 A 7 ARG NE N 15 83.797 0.3 A 8 VAL H H 1 8.537 0.03 A 8 VAL HA H 1 3.514 0.03 A 8 VAL HB H 1 2.093 0.03 A 8 VAL HGx% H 1 0.833 0.03 A 8 VAL HGy% H 1 0.978 0.03 A 8 VAL C C 13 176.803 0.3 A 8 VAL CA C 13 66.888 0.3 A 8 VAL CB C 13 31.572 0.3 A 8 VAL CGx C 13 21.713 0.3 A 8 VAL CGy C 13 24.597 0.3 A 8 VAL N N 15 120.642 0.3 A 9 ALA H H 1 8.936 0.03 A 9 ALA HA H 1 3.663 0.03 A 9 ALA HB% H 1 0.837 0.03 A 9 ALA C C 13 179.087 0.3 A 9 ALA CA C 13 55.761 0.3 A 9 ALA CB C 13 17.161 0.3 A 9 ALA N N 15 122.831 0.3 A 10 THR H H 1 7.804 0.03 A 10 THR HA H 1 3.797 0.03 A 10 THR HB H 1 4.278 0.03 A 10 THR HG2% H 1 1.222 0.03 A 10 THR C C 13 175.502 0.3 A 10 THR CA C 13 67.398 0.3 A 10 THR CB C 13 68.902 0.3 A 10 THR CG2 C 13 21.714 0.3 A 10 THR N N 15 114.240 0.3 A 11 ILE H H 1 7.745 0.03 A 11 ILE HA H 1 3.878 0.03 A 11 ILE HB H 1 2.016 0.03 A 11 ILE HD1% H 1 0.764 0.03 A 11 ILE HG1y H 1 1.848 0.03 A 11 ILE HG1x H 1 1.087 0.03 A 11 ILE HG2% H 1 0.911 0.03 A 11 ILE C C 13 179.732 0.3 A 11 ILE CA C 13 65.504 0.3 A 11 ILE CB C 13 38.514 0.3 A 11 ILE CD1 C 13 14.400 0.3 A 11 ILE CG1 C 13 29.844 0.3 A 11 ILE CG2 C 13 18.172 0.3 A 11 ILE N N 15 122.028 0.3 A 12 ILE H H 1 8.765 0.03 A 12 ILE HA H 1 3.391 0.03 A 12 ILE HB H 1 1.841 0.03 A 12 ILE HD1% H 1 0.757 0.03 A 12 ILE HG1y H 1 1.959 0.03 A 12 ILE HG1x H 1 0.876 0.03 A 12 ILE HG2% H 1 0.837 0.03 A 12 ILE C C 13 176.751 0.3 A 12 ILE CA C 13 67.016 0.3 A 12 ILE CB C 13 37.927 0.3 A 12 ILE CD1 C 13 14.757 0.3 A 12 ILE CG1 C 13 29.610 0.3 A 12 ILE CG2 C 13 17.986 0.3 A 12 ILE N N 15 123.056 0.3 A 13 ALA H H 1 8.446 0.03 A 13 ALA HA H 1 4.728 0.03 A 13 ALA HB% H 1 1.560 0.03 A 13 ALA C C 13 180.715 0.3 A 13 ALA CA C 13 55.998 0.3 A 13 ALA CB C 13 18.461 0.3 A 13 ALA N N 15 122.544 0.3 A 14 GLU H H 1 8.280 0.03 A 14 GLU HA H 1 4.196 0.03 A 14 GLU HBy H 1 2.134 0.03 A 14 GLU HBx H 1 2.034 0.03 A 14 GLU HGy H 1 2.527 0.03 A 14 GLU HGx H 1 2.327 0.03 A 14 GLU C C 13 179.153 0.3 A 14 GLU CA C 13 58.343 0.3 A 14 GLU CB C 13 29.974 0.3 A 14 GLU CG C 13 36.504 0.3 A 14 GLU N N 15 114.386 0.3 A 15 THR H H 1 8.405 0.03 A 15 THR HA H 1 4.075 0.03 A 15 THR HB H 1 4.136 0.03 A 15 THR HG2% H 1 1.278 0.03 A 15 THR C C 13 176.166 0.3 A 15 THR CA C 13 66.412 0.3 A 15 THR CB C 13 69.462 0.3 A 15 THR CG2 C 13 21.798 0.3 A 15 THR N N 15 115.390 0.3 A 16 CYS H H 1 8.133 0.03 A 16 CYS HA H 1 4.565 0.03 A 16 CYS HBy H 1 3.292 0.03 A 16 CYS HBx H 1 2.534 0.03 A 16 CYS C C 13 173.642 0.3 A 16 CYS CA C 13 59.149 0.3 A 16 CYS CB C 13 29.571 0.3 A 16 CYS N N 15 115.989 0.3 A 17 ASP H H 1 7.724 0.03 A 17 ASP HA H 1 4.408 0.03 A 17 ASP HBy H 1 3.062 0.03 A 17 ASP HBx H 1 2.560 0.03 A 17 ASP C C 13 174.648 0.3 A 17 ASP CA C 13 55.207 0.3 A 17 ASP CB C 13 38.790 0.3 A 17 ASP N N 15 119.842 0.3 A 18 ILE H H 1 7.419 0.03 A 18 ILE HA H 1 4.578 0.03 A 18 ILE HB H 1 1.414 0.03 A 18 ILE HD1% H 1 0.774 0.03 A 18 ILE HG1y H 1 1.387 0.03 A 18 ILE HG1x H 1 1.022 0.03 A 18 ILE HG2% H 1 0.837 0.03 A 18 ILE C C 13 174.284 0.3 A 18 ILE CA C 13 57.659 0.3 A 18 ILE CB C 13 42.029 0.3 A 18 ILE CD1 C 13 14.047 0.3 A 18 ILE CG1 C 13 27.363 0.3 A 18 ILE CG2 C 13 17.078 0.3 A 18 ILE N N 15 119.093 0.3 A 19 PRO HA H 1 4.357 0.03 A 19 PRO HBy H 1 2.465 0.03 A 19 PRO HBx H 1 1.937 0.03 A 19 PRO HDy H 1 3.974 0.03 A 19 PRO HDx H 1 3.561 0.03 A 19 PRO HGy H 1 2.165 0.03 A 19 PRO HGx H 1 1.999 0.03 A 19 PRO C C 13 179.469 0.3 A 19 PRO CA C 13 63.110 0.3 A 19 PRO CB C 13 32.102 0.3 A 19 PRO CD C 13 51.266 0.3 A 19 PRO CG C 13 27.986 0.3 A 20 ARG H H 1 9.176 0.03 A 20 ARG HA H 1 3.853 0.03 A 20 ARG HBx H 1 1.852 0.03 A 20 ARG HBy H 1 1.870 0.03 A 20 ARG HDy H 1 3.203 0.03 A 20 ARG HDx H 1 2.952 0.03 A 20 ARG HE H 1 7.419 0.03 A 20 ARG HGy H 1 1.817 0.03 A 20 ARG HGx H 1 1.497 0.03 A 20 ARG HH1x H 1 6.796 0.03 A 20 ARG HH1y H 1 6.796 0.03 A 20 ARG HH2x H 1 6.796 0.03 A 20 ARG HH2y H 1 6.796 0.03 A 20 ARG C C 13 178.656 0.3 A 20 ARG CA C 13 58.789 0.3 A 20 ARG CB C 13 29.515 0.3 A 20 ARG CD C 13 42.308 0.3 A 20 ARG CG C 13 27.379 0.3 A 20 ARG N N 15 129.222 0.3 A 20 ARG NE N 15 84.580 0.3 A 20 ARG NHx N 15 71.907 0.3 A 20 ARG NHy N 15 71.907 0.3 A 21 GLU H H 1 9.833 0.03 A 21 GLU HA H 1 4.297 0.03 A 21 GLU HBy H 1 2.099 0.03 A 21 GLU HBx H 1 2.097 0.03 A 21 GLU HGy H 1 2.353 0.03 A 21 GLU HGx H 1 2.264 0.03 A 21 GLU C C 13 177.267 0.3 A 21 GLU CA C 13 58.586 0.3 A 21 GLU CB C 13 28.191 0.3 A 21 GLU CG C 13 36.171 0.3 A 21 GLU N N 15 117.285 0.3 A 22 THR H H 1 7.784 0.03 A 22 THR HA H 1 4.332 0.03 A 22 THR HB H 1 4.344 0.03 A 22 THR HG2% H 1 1.260 0.03 A 22 THR C C 13 172.996 0.3 A 22 THR CA C 13 62.310 0.3 A 22 THR CB C 13 69.989 0.3 A 22 THR CG2 C 13 22.301 0.3 A 22 THR N N 15 110.084 0.3 A 23 ILE H H 1 7.598 0.03 A 23 ILE HA H 1 4.003 0.03 A 23 ILE HB H 1 2.000 0.03 A 23 ILE HD1% H 1 0.849 0.03 A 23 ILE HG1y H 1 1.894 0.03 A 23 ILE HG1x H 1 0.720 0.03 A 23 ILE HG2% H 1 0.913 0.03 A 23 ILE C C 13 174.716 0.3 A 23 ILE CA C 13 62.568 0.3 A 23 ILE CB C 13 38.474 0.3 A 23 ILE CD1 C 13 14.979 0.3 A 23 ILE CG1 C 13 27.529 0.3 A 23 ILE CG2 C 13 18.852 0.3 A 23 ILE N N 15 122.567 0.3 A 24 THR H H 1 8.619 0.03 A 24 THR HA H 1 5.300 0.03 A 24 THR HB H 1 4.603 0.03 A 24 THR HG2% H 1 1.146 0.03 A 24 THR C C 13 174.289 0.3 A 24 THR CA C 13 59.093 0.3 A 24 THR CB C 13 69.779 0.3 A 24 THR CG2 C 13 20.873 0.3 A 24 THR N N 15 118.655 0.3 A 25 PRO HA H 1 3.756 0.03 A 25 PRO HBx H 1 1.630 0.03 A 25 PRO HBy H 1 1.799 0.03 A 25 PRO HDy H 1 3.612 0.03 A 25 PRO HDx H 1 3.478 0.03 A 25 PRO HGy H 1 1.678 0.03 A 25 PRO HGx H 1 0.240 0.03 A 25 PRO C C 13 176.206 0.3 A 25 PRO CA C 13 64.888 0.3 A 25 PRO CB C 13 31.809 0.3 A 25 PRO CD C 13 50.475 0.3 A 25 PRO CG C 13 27.144 0.3 A 26 GLU H H 1 7.365 0.03 A 26 GLU HA H 1 4.173 0.03 A 26 GLU HBy H 1 2.224 0.03 A 26 GLU HBx H 1 1.748 0.03 A 26 GLU HGy H 1 2.283 0.03 A 26 GLU HGx H 1 2.165 0.03 A 26 GLU C C 13 176.950 0.3 A 26 GLU CA C 13 56.437 0.3 A 26 GLU CB C 13 29.493 0.3 A 26 GLU CG C 13 36.498 0.3 A 26 GLU N N 15 110.769 0.3 A 27 SER H H 1 8.056 0.03 A 27 SER HA H 1 4.304 0.03 A 27 SER HBx H 1 3.811 0.03 A 27 SER HBy H 1 4.192 0.03 A 27 SER C C 13 172.059 0.3 A 27 SER CA C 13 60.898 0.3 A 27 SER CB C 13 64.144 0.3 A 27 SER N N 15 118.143 0.3 A 28 HIS H H 1 10.680 0.03 A 28 HIS HA H 1 4.722 0.03 A 28 HIS HBy H 1 3.162 0.03 A 28 HIS HBx H 1 3.130 0.03 A 28 HIS HD2 H 1 7.161 0.03 A 28 HIS HE1 H 1 7.525 0.03 A 28 HIS C C 13 178.146 0.3 A 28 HIS CA C 13 56.323 0.3 A 28 HIS CB C 13 32.559 0.3 A 28 HIS CD2 C 13 119.236 0.3 A 28 HIS CE1 C 13 139.442 0.3 A 28 HIS N N 15 128.086 0.3 A 28 HIS ND1 N 15 247.118 0.3 A 28 HIS NE2 N 15 165.265 0.3 A 29 ALA H H 1 9.292 0.03 A 29 ALA HA H 1 3.940 0.03 A 29 ALA HB% H 1 1.609 0.03 A 29 ALA C C 13 175.726 0.3 A 29 ALA CA C 13 55.898 0.3 A 29 ALA CB C 13 19.004 0.3 A 29 ALA N N 15 130.117 0.3 A 30 ILE H H 1 8.537 0.03 A 30 ILE HA H 1 4.210 0.03 A 30 ILE HB H 1 1.824 0.03 A 30 ILE HD1% H 1 0.347 0.03 A 30 ILE HG1y H 1 1.218 0.03 A 30 ILE HG1x H 1 1.026 0.03 A 30 ILE HG2% H 1 0.894 0.03 A 30 ILE C C 13 179.428 0.3 A 30 ILE CA C 13 62.886 0.3 A 30 ILE CB C 13 39.133 0.3 A 30 ILE CD1 C 13 12.005 0.3 A 30 ILE CG1 C 13 27.344 0.3 A 30 ILE CG2 C 13 17.222 0.3 A 30 ILE N N 15 113.255 0.3 A 31 ASP H H 1 8.451 0.03 A 31 ASP HA H 1 4.168 0.03 A 31 ASP HBy H 1 2.528 0.03 A 31 ASP HBx H 1 1.840 0.03 A 31 ASP C C 13 177.220 0.3 A 31 ASP CA C 13 57.415 0.3 A 31 ASP CB C 13 39.974 0.3 A 32 ASP H H 1 8.464 0.03 A 32 ASP HA H 1 5.051 0.03 A 32 ASP HBy H 1 3.095 0.03 A 32 ASP HBx H 1 2.958 0.03 A 32 ASP C C 13 177.469 0.3 A 32 ASP CA C 13 55.997 0.3 A 32 ASP CB C 13 42.139 0.3 A 32 ASP N N 15 114.188 0.3 A 33 LEU H H 1 7.217 0.03 A 33 LEU HA H 1 4.465 0.03 A 33 LEU HBx H 1 1.572 0.03 A 33 LEU HBy H 1 2.493 0.03 A 33 LEU HDx% H 1 1.026 0.03 A 33 LEU HDy% H 1 0.896 0.03 A 33 LEU HG H 1 1.656 0.03 A 33 LEU C C 13 177.391 0.3 A 33 LEU CA C 13 54.928 0.3 A 33 LEU CB C 13 41.159 0.3 A 33 LEU CDy C 13 26.651 0.3 A 33 LEU CDx C 13 22.291 0.3 A 33 LEU CG C 13 26.877 0.3 A 33 LEU N N 15 113.802 0.3 A 34 GLY H H 1 7.304 0.03 A 34 GLY HAy H 1 3.913 0.03 A 34 GLY HAx H 1 3.894 0.03 A 34 GLY C C 13 174.524 0.3 A 34 GLY CA C 13 46.942 0.3 A 34 GLY N N 15 106.991 0.3 A 35 ILE H H 1 7.867 0.03 A 35 ILE HA H 1 4.061 0.03 A 35 ILE HB H 1 1.679 0.03 A 35 ILE HD1% H 1 0.774 0.03 A 35 ILE HG1x H 1 1.084 0.03 A 35 ILE HG1y H 1 1.526 0.03 A 35 ILE HG2% H 1 0.736 0.03 A 35 ILE C C 13 175.393 0.3 A 35 ILE CA C 13 62.095 0.3 A 35 ILE CB C 13 37.746 0.3 A 35 ILE CD1 C 13 14.146 0.3 A 35 ILE CG1 C 13 27.864 0.3 A 35 ILE CG2 C 13 18.239 0.3 A 35 ILE N N 15 121.082 0.3 A 36 ASP H H 1 8.819 0.03 A 36 ASP HA H 1 4.784 0.03 A 36 ASP HBy H 1 3.105 0.03 A 36 ASP HBx H 1 2.737 0.03 A 36 ASP C C 13 177.153 0.3 A 36 ASP CA C 13 52.708 0.3 A 36 ASP CB C 13 42.454 0.3 A 36 ASP N N 15 127.369 0.3 A 37 SER H H 1 8.367 0.03 A 37 SER HA H 1 4.074 0.03 A 37 SER HBy H 1 3.906 0.03 A 37 SER HBx H 1 3.905 0.03 A 37 SER C C 13 176.916 0.3 A 37 SER CA C 13 62.573 0.3 A 37 SER CB C 13 62.776 0.3 A 37 SER N N 15 114.194 0.3 A 38 LEU H H 1 7.984 0.03 A 38 LEU HA H 1 4.229 0.03 A 38 LEU HBy H 1 1.855 0.03 A 38 LEU HBx H 1 1.595 0.03 A 38 LEU HDx% H 1 0.943 0.03 A 38 LEU HDy% H 1 0.876 0.03 A 38 LEU HG H 1 1.693 0.03 A 38 LEU C C 13 180.135 0.3 A 38 LEU CA C 13 57.782 0.3 A 38 LEU CB C 13 41.037 0.3 A 38 LEU CDy C 13 24.990 0.3 A 38 LEU CDx C 13 23.570 0.3 A 38 LEU CG C 13 27.283 0.3 A 38 LEU N N 15 122.810 0.3 A 40 PHE H H 1 8.599 0.03 A 40 PHE HA H 1 4.063 0.03 A 40 PHE HBy H 1 3.163 0.03 A 40 PHE HBx H 1 3.075 0.03 A 40 PHE HDx H 1 7.153 0.03 A 40 PHE HDy H 1 7.153 0.03 A 40 PHE HEx H 1 7.013 0.03 A 40 PHE HEy H 1 7.013 0.03 A 40 PHE HZ H 1 7.006 0.03 A 40 PHE C C 13 177.594 0.3 A 40 PHE CA C 13 61.721 0.3 A 40 PHE CB C 13 38.465 0.3 A 40 PHE CDx C 13 131.871 0.3 A 40 PHE CDy C 13 131.871 0.3 A 40 PHE CEx C 13 129.999 0.3 A 40 PHE CEy C 13 129.999 0.3 A 40 PHE CZ C 13 128.330 0.3 A 40 PHE N N 15 118.784 0.3 A 41 LEU H H 1 7.609 0.03 A 41 LEU HA H 1 3.995 0.03 A 41 LEU HBy H 1 1.958 0.03 A 41 LEU HBx H 1 1.559 0.03 A 41 LEU HDx% H 1 0.953 0.03 A 41 LEU HDy% H 1 0.894 0.03 A 41 LEU HG H 1 1.862 0.03 A 41 LEU C C 13 179.394 0.3 A 41 LEU CA C 13 58.283 0.3 A 41 LEU CB C 13 41.096 0.3 A 41 LEU CDy C 13 25.172 0.3 A 41 LEU CDx C 13 23.330 0.3 A 41 LEU CG C 13 26.888 0.3 A 41 LEU N N 15 118.773 0.3 A 42 ASP H H 1 7.328 0.03 A 42 ASP HA H 1 4.593 0.03 A 42 ASP HBy H 1 2.873 0.03 A 42 ASP HBx H 1 2.622 0.03 A 42 ASP C C 13 179.932 0.3 A 42 ASP CA C 13 57.654 0.3 A 42 ASP CB C 13 40.204 0.3 A 42 ASP N N 15 119.638 0.3 A 43 ILE H H 1 8.081 0.03 A 43 ILE HA H 1 3.534 0.03 A 43 ILE HB H 1 1.752 0.03 A 43 ILE HD1% H 1 0.746 0.03 A 43 ILE HG1y H 1 1.746 0.03 A 43 ILE HG1x H 1 0.777 0.03 A 43 ILE HG2% H 1 0.690 0.03 A 43 ILE C C 13 177.205 0.3 A 43 ILE CA C 13 65.135 0.3 A 43 ILE CB C 13 37.790 0.3 A 43 ILE CD1 C 13 15.513 0.3 A 43 ILE CG1 C 13 29.373 0.3 A 43 ILE CG2 C 13 16.977 0.3 A 43 ILE N N 15 122.578 0.3 A 44 ALA H H 1 8.841 0.03 A 44 ALA HA H 1 3.851 0.03 A 44 ALA HB% H 1 1.497 0.03 A 44 ALA C C 13 178.492 0.3 A 44 ALA CA C 13 55.667 0.3 A 44 ALA CB C 13 18.290 0.3 A 44 ALA N N 15 122.550 0.3 A 45 PHE H H 1 8.083 0.03 A 45 PHE HA H 1 4.489 0.03 A 45 PHE HBy H 1 3.314 0.03 A 45 PHE HBx H 1 3.288 0.03 A 45 PHE HDx H 1 7.385 0.03 A 45 PHE HDy H 1 7.388 0.03 A 45 PHE HEx H 1 7.370 0.03 A 45 PHE HEy H 1 7.370 0.03 A 45 PHE HZ H 1 7.339 0.03 A 45 PHE C C 13 178.246 0.3 A 45 PHE CA C 13 60.619 0.3 A 45 PHE CB C 13 38.743 0.3 A 45 PHE CDx C 13 131.804 0.3 A 45 PHE CDy C 13 131.804 0.3 A 45 PHE CEx C 13 131.127 0.3 A 45 PHE CEy C 13 131.127 0.3 A 45 PHE CZ C 13 130.553 0.3 A 45 PHE N N 15 117.182 0.3 A 46 ALA H H 1 7.747 0.03 A 46 ALA HA H 1 4.169 0.03 A 46 ALA HB% H 1 1.611 0.03 A 46 ALA C C 13 181.415 0.3 A 46 ALA CA C 13 55.042 0.3 A 46 ALA CB C 13 19.219 0.3 A 46 ALA N N 15 121.475 0.3 A 47 ILE H H 1 8.971 0.03 A 47 ILE HA H 1 3.780 0.03 A 47 ILE HB H 1 2.165 0.03 A 47 ILE HD1% H 1 0.847 0.03 A 47 ILE HG1y H 1 2.088 0.03 A 47 ILE HG1x H 1 1.052 0.03 A 47 ILE HG2% H 1 0.980 0.03 A 47 ILE C C 13 177.032 0.3 A 47 ILE CA C 13 65.971 0.3 A 47 ILE CB C 13 37.996 0.3 A 47 ILE CD1 C 13 14.823 0.3 A 47 ILE CG1 C 13 30.491 0.3 A 47 ILE CG2 C 13 17.873 0.3 A 47 ILE N N 15 122.752 0.3 A 48 ASP H H 1 8.987 0.03 A 48 ASP HA H 1 4.378 0.03 A 48 ASP HBy H 1 2.860 0.03 A 48 ASP HBx H 1 2.852 0.03 A 48 ASP C C 13 180.143 0.3 A 48 ASP CA C 13 57.704 0.3 A 48 ASP CB C 13 39.803 0.3 A 48 ASP N N 15 123.760 0.3 A 49 LYS H H 1 7.593 0.03 A 49 LYS HA H 1 4.010 0.03 A 49 LYS HBx H 1 1.759 0.03 A 49 LYS HBy H 1 1.760 0.03 A 49 LYS HDy H 1 1.590 0.03 A 49 LYS HDx H 1 1.589 0.03 A 49 LYS HEy H 1 2.894 0.03 A 49 LYS HEx H 1 2.805 0.03 A 49 LYS HGy H 1 1.381 0.03 A 49 LYS HGx H 1 1.322 0.03 A 49 LYS C C 13 178.855 0.3 A 49 LYS CA C 13 58.622 0.3 A 49 LYS CB C 13 32.566 0.3 A 49 LYS CD C 13 29.015 0.3 A 49 LYS CE C 13 42.055 0.3 A 49 LYS CG C 13 24.560 0.3 A 49 LYS N N 15 117.466 0.3 A 50 ALA H H 1 8.152 0.03 A 50 ALA HA H 1 4.015 0.03 A 50 ALA HB% H 1 1.239 0.03 A 50 ALA C C 13 179.379 0.3 A 50 ALA CA C 13 54.658 0.3 A 50 ALA CB C 13 19.174 0.3 A 50 ALA N N 15 120.932 0.3 A 51 PHE H H 1 8.620 0.03 A 51 PHE HA H 1 4.535 0.03 A 51 PHE HBy H 1 3.053 0.03 A 51 PHE HBx H 1 2.776 0.03 A 51 PHE HDy H 1 7.596 0.03 A 51 PHE HDx H 1 7.595 0.03 A 51 PHE HEx H 1 7.209 0.03 A 51 PHE HEy H 1 7.209 0.03 A 51 PHE HZ H 1 7.293 0.03 A 51 PHE C C 13 176.183 0.3 A 51 PHE CA C 13 58.374 0.3 A 51 PHE CB C 13 40.494 0.3 A 51 PHE CDx C 13 132.829 0.3 A 51 PHE CDy C 13 132.829 0.3 A 51 PHE CEx C 13 130.395 0.3 A 51 PHE CEy C 13 130.395 0.3 A 51 PHE CZ C 13 129.947 0.3 A 51 PHE N N 15 111.445 0.3 A 52 GLY H H 1 8.136 0.03 A 52 GLY HAy H 1 4.064 0.03 A 52 GLY HAx H 1 3.892 0.03 A 52 GLY C C 13 174.832 0.3 A 52 GLY CA C 13 47.293 0.3 A 52 GLY N N 15 111.969 0.3 A 53 ILE H H 1 7.476 0.03 A 53 ILE HA H 1 4.668 0.03 A 53 ILE HB H 1 1.849 0.03 A 53 ILE HD1% H 1 0.734 0.03 A 53 ILE HG1y H 1 1.407 0.03 A 53 ILE HG1x H 1 0.979 0.03 A 53 ILE HG2% H 1 0.756 0.03 A 53 ILE C C 13 173.576 0.3 A 53 ILE CA C 13 58.559 0.3 A 53 ILE CB C 13 42.855 0.3 A 53 ILE CD1 C 13 15.554 0.3 A 53 ILE CG1 C 13 24.894 0.3 A 53 ILE CG2 C 13 18.699 0.3 A 53 ILE N N 15 110.687 0.3 A 54 LYS H H 1 7.965 0.03 A 54 LYS HA H 1 4.587 0.03 A 54 LYS HBy H 1 1.591 0.03 A 54 LYS HBx H 1 1.470 0.03 A 54 LYS HDx H 1 1.639 0.03 A 54 LYS HDy H 1 1.639 0.03 A 54 LYS HEx H 1 2.940 0.03 A 54 LYS HEy H 1 2.940 0.03 A 54 LYS HGy H 1 1.210 0.03 A 54 LYS HGx H 1 1.177 0.03 A 54 LYS C C 13 175.793 0.3 A 54 LYS CA C 13 53.228 0.3 A 54 LYS CB C 13 33.075 0.3 A 54 LYS CD C 13 28.727 0.3 A 54 LYS CE C 13 42.212 0.3 A 54 LYS CG C 13 24.355 0.3 A 54 LYS N N 15 119.664 0.3 A 55 LEU H H 1 10.625 0.03 A 55 LEU HA H 1 3.841 0.03 A 55 LEU HBy H 1 1.617 0.03 A 55 LEU HBx H 1 0.994 0.03 A 55 LEU HDx% H 1 0.869 0.03 A 55 LEU HDy% H 1 0.765 0.03 A 55 LEU HG H 1 1.535 0.03 A 55 LEU C C 13 177.152 0.3 A 55 LEU CA C 13 53.262 0.3 A 55 LEU CB C 13 42.026 0.3 A 55 LEU CDy C 13 25.768 0.3 A 55 LEU CDx C 13 24.158 0.3 A 55 LEU CG C 13 25.831 0.3 A 55 LEU N N 15 130.663 0.3 A 56 PRO HA H 1 4.580 0.03 A 56 PRO HBx H 1 1.528 0.03 A 56 PRO HBy H 1 1.879 0.03 A 56 PRO HDx H 1 2.316 0.03 A 56 PRO HDy H 1 2.316 0.03 A 56 PRO HGy H 1 1.760 0.03 A 56 PRO HGx H 1 0.925 0.03 A 56 PRO C C 13 174.449 0.3 A 56 PRO CA C 13 61.582 0.3 A 56 PRO CB C 13 27.462 0.3 A 56 PRO CD C 13 50.414 0.3 A 56 PRO CG C 13 26.443 0.3 A 57 LEU H H 1 7.463 0.03 A 57 LEU HA H 1 3.405 0.03 A 57 LEU HBy H 1 1.511 0.03 A 57 LEU HBx H 1 1.328 0.03 A 57 LEU HDx% H 1 0.876 0.03 A 57 LEU HDy% H 1 0.766 0.03 A 57 LEU HG H 1 1.452 0.03 A 57 LEU C C 13 179.136 0.3 A 57 LEU CA C 13 58.089 0.3 A 57 LEU CB C 13 42.124 0.3 A 57 LEU CDy C 13 24.760 0.3 A 57 LEU CDx C 13 24.394 0.3 A 57 LEU CG C 13 27.081 0.3 A 57 LEU N N 15 121.417 0.3 A 58 GLU H H 1 8.805 0.03 A 58 GLU HA H 1 3.981 0.03 A 58 GLU HBx H 1 1.959 0.03 A 58 GLU HBy H 1 1.960 0.03 A 58 GLU HGx H 1 2.251 0.03 A 58 GLU HGy H 1 2.251 0.03 A 58 GLU C C 13 178.655 0.3 A 58 GLU CA C 13 59.829 0.3 A 58 GLU CB C 13 28.669 0.3 A 58 GLU CG C 13 36.552 0.3 A 58 GLU N N 15 119.172 0.3 A 59 LYS H H 1 7.433 0.03 A 59 LYS HA H 1 4.093 0.03 A 59 LYS HBy H 1 1.864 0.03 A 59 LYS HBx H 1 1.822 0.03 A 59 LYS HDx H 1 1.663 0.03 A 59 LYS HDy H 1 1.663 0.03 A 59 LYS HEx H 1 3.025 0.03 A 59 LYS HEy H 1 3.025 0.03 A 59 LYS HGy H 1 1.380 0.03 A 59 LYS HGx H 1 1.379 0.03 A 59 LYS C C 13 178.709 0.3 A 59 LYS CA C 13 58.936 0.3 A 59 LYS CB C 13 32.184 0.3 A 59 LYS CD C 13 29.326 0.3 A 59 LYS CE C 13 42.247 0.3 A 59 LYS CG C 13 24.776 0.3 A 59 LYS N N 15 122.037 0.3 A 60 TRP H H 1 8.129 0.03 A 60 TRP HA H 1 4.186 0.03 A 60 TRP HBy H 1 2.919 0.03 A 60 TRP HBx H 1 2.067 0.03 A 60 TRP HD1 H 1 6.411 0.03 A 60 TRP HE1 H 1 10.047 0.03 A 60 TRP HE3 H 1 6.741 0.03 A 60 TRP HH2 H 1 6.786 0.03 A 60 TRP HZ2 H 1 7.218 0.03 A 60 TRP HZ3 H 1 6.557 0.03 A 60 TRP C C 13 178.339 0.3 A 60 TRP CA C 13 57.744 0.3 A 60 TRP CB C 13 28.467 0.3 A 60 TRP CD1 C 13 123.203 0.3 A 60 TRP CE3 C 13 119.675 0.3 A 60 TRP CH2 C 13 122.983 0.3 A 60 TRP CZ2 C 13 112.823 0.3 A 60 TRP CZ3 C 13 119.858 0.3 A 60 TRP N N 15 119.892 0.3 A 60 TRP NE1 N 15 128.046 0.3 A 61 THR H H 1 8.439 0.03 A 61 THR HA H 1 3.879 0.03 A 61 THR HB H 1 4.280 0.03 A 61 THR HG2% H 1 1.280 0.03 A 61 THR C C 13 176.377 0.3 A 61 THR CA C 13 67.032 0.3 A 61 THR CB C 13 68.976 0.3 A 61 THR CG2 C 13 21.524 0.3 A 61 THR N N 15 113.225 0.3 A 62 GLN H H 1 7.833 0.03 A 62 GLN HA H 1 4.033 0.03 A 62 GLN HBy H 1 2.288 0.03 A 62 GLN HBx H 1 2.273 0.03 A 62 GLN HE2y H 1 7.909 0.03 A 62 GLN HE2x H 1 6.884 0.03 A 62 GLN HGy H 1 2.509 0.03 A 62 GLN HGx H 1 2.431 0.03 A 62 GLN C C 13 177.832 0.3 A 62 GLN CA C 13 58.907 0.3 A 62 GLN CB C 13 28.121 0.3 A 62 GLN CG C 13 33.398 0.3 A 62 GLN N N 15 122.375 0.3 A 62 GLN NE2 N 15 114.445 0.3 A 63 GLU H H 1 8.434 0.03 A 63 GLU HA H 1 4.066 0.03 A 63 GLU HBy H 1 2.460 0.03 A 63 GLU HBx H 1 1.999 0.03 A 63 GLU HGy H 1 2.697 0.03 A 63 GLU HGx H 1 2.175 0.03 A 63 GLU C C 13 179.998 0.3 A 63 GLU CA C 13 60.083 0.3 A 63 GLU CB C 13 30.419 0.3 A 63 GLU CG C 13 36.961 0.3 A 63 GLU N N 15 119.114 0.3 A 64 VAL H H 1 8.167 0.03 A 64 VAL HA H 1 4.106 0.03 A 64 VAL HB H 1 2.272 0.03 A 64 VAL HGx% H 1 1.039 0.03 A 64 VAL HGy% H 1 1.033 0.03 A 64 VAL C C 13 180.580 0.3 A 64 VAL CA C 13 65.416 0.3 A 64 VAL CB C 13 31.897 0.3 A 64 VAL CGx C 13 21.692 0.3 A 64 VAL CGy C 13 22.436 0.3 A 64 VAL N N 15 119.573 0.3 A 65 ASN H H 1 8.521 0.03 A 65 ASN HA H 1 4.487 0.03 A 65 ASN HBx H 1 2.924 0.03 A 65 ASN HBy H 1 2.941 0.03 A 65 ASN HD2y H 1 7.553 0.03 A 65 ASN HD2x H 1 6.963 0.03 A 65 ASN C C 13 177.343 0.3 A 65 ASN CA C 13 56.263 0.3 A 65 ASN CB C 13 38.023 0.3 A 65 ASN N N 15 121.693 0.3 A 65 ASN ND2 N 15 112.154 0.3 A 66 ASP H H 1 8.469 0.03 A 66 ASP HA H 1 4.738 0.03 A 66 ASP HBy H 1 2.860 0.03 A 66 ASP HBx H 1 2.777 0.03 A 66 ASP C C 13 176.922 0.3 A 66 ASP CA C 13 54.820 0.3 A 66 ASP CB C 13 41.203 0.3 A 66 ASP N N 15 117.849 0.3 A 67 GLY H H 1 8.101 0.03 A 67 GLY HAy H 1 4.194 0.03 A 67 GLY HAx H 1 4.010 0.03 A 67 GLY C C 13 174.806 0.3 A 67 GLY CA C 13 45.960 0.3 A 67 GLY N N 15 108.617 0.3 A 68 LYS H H 1 8.414 0.03 A 68 LYS HA H 1 4.300 0.03 A 68 LYS HBy H 1 2.051 0.03 A 68 LYS HBx H 1 1.710 0.03 A 68 LYS HDx H 1 1.730 0.03 A 68 LYS HDy H 1 1.730 0.03 A 68 LYS HEx H 1 3.029 0.03 A 68 LYS HEy H 1 3.029 0.03 A 68 LYS HGy H 1 1.502 0.03 A 68 LYS HGx H 1 1.415 0.03 A 68 LYS C C 13 175.017 0.3 A 68 LYS CA C 13 56.292 0.3 A 68 LYS CB C 13 33.445 0.3 A 68 LYS CD C 13 29.054 0.3 A 68 LYS CE C 13 42.219 0.3 A 68 LYS CG C 13 25.231 0.3 A 68 LYS N N 15 118.843 0.3 A 69 ALA H H 1 7.500 0.03 A 69 ALA HA H 1 4.606 0.03 A 69 ALA HB% H 1 1.282 0.03 A 69 ALA C C 13 176.010 0.3 A 69 ALA CA C 13 50.486 0.3 A 69 ALA CB C 13 23.973 0.3 A 69 ALA N N 15 120.387 0.3 A 70 THR H H 1 7.974 0.03 A 70 THR HA H 1 4.723 0.03 A 70 THR HB H 1 4.696 0.03 A 70 THR HG2% H 1 1.237 0.03 A 70 THR C C 13 175.706 0.3 A 70 THR CA C 13 59.724 0.3 A 70 THR CB C 13 70.636 0.3 A 70 THR CG2 C 13 21.889 0.3 A 70 THR N N 15 109.871 0.3 A 71 THR H H 1 9.012 0.03 A 71 THR HA H 1 4.142 0.03 A 71 THR HB H 1 4.505 0.03 A 71 THR HG2% H 1 1.556 0.03 A 71 THR C C 13 177.347 0.3 A 71 THR CA C 13 65.088 0.3 A 71 THR CB C 13 69.035 0.3 A 71 THR CG2 C 13 22.712 0.3 A 71 THR N N 15 111.370 0.3 A 72 GLU H H 1 8.835 0.03 A 72 GLU HA H 1 3.857 0.03 A 72 GLU HBx H 1 1.994 0.03 A 72 GLU HBy H 1 2.124 0.03 A 72 GLU HGx H 1 2.294 0.03 A 72 GLU HGy H 1 2.357 0.03 A 72 GLU C C 13 177.566 0.3 A 72 GLU CA C 13 59.904 0.3 A 72 GLU CB C 13 28.903 0.3 A 72 GLU CG C 13 36.535 0.3 A 72 GLU N N 15 122.152 0.3 A 73 GLN H H 1 7.299 0.03 A 73 GLN HA H 1 3.643 0.03 A 73 GLN HBy H 1 1.633 0.03 A 73 GLN HBx H 1 1.337 0.03 A 73 GLN HE2y H 1 6.980 0.03 A 73 GLN HE2x H 1 6.620 0.03 A 73 GLN HGy H 1 1.828 0.03 A 73 GLN HGx H 1 1.317 0.03 A 73 GLN C C 13 174.138 0.3 A 73 GLN CA C 13 57.963 0.3 A 73 GLN CB C 13 28.613 0.3 A 73 GLN CG C 13 33.203 0.3 A 73 GLN N N 15 116.865 0.3 A 73 GLN NE2 N 15 112.266 0.3 A 74 TYR H H 1 6.303 0.03 A 74 TYR HA H 1 4.068 0.03 A 74 TYR HBy H 1 1.648 0.03 A 74 TYR HBx H 1 1.309 0.03 A 74 TYR HDx H 1 5.638 0.03 A 74 TYR HDy H 1 5.638 0.03 A 74 TYR HEx H 1 5.998 0.03 A 74 TYR HEy H 1 5.998 0.03 A 74 TYR C C 13 173.940 0.3 A 74 TYR CA C 13 56.811 0.3 A 74 TYR CB C 13 40.195 0.3 A 74 TYR CDx C 13 130.591 0.3 A 74 TYR CDy C 13 130.591 0.3 A 74 TYR CEx C 13 117.252 0.3 A 74 TYR CEy C 13 117.252 0.3 A 74 TYR N N 15 112.803 0.3 A 75 PHE H H 1 7.747 0.03 A 75 PHE HA H 1 4.657 0.03 A 75 PHE HBy H 1 2.947 0.03 A 75 PHE HBx H 1 2.304 0.03 A 75 PHE HDx H 1 7.14 0.03 A 75 PHE HDy H 1 7.14 0.03 A 75 PHE HEx H 1 6.787 0.03 A 75 PHE HEy H 1 6.787 0.03 A 75 PHE HZ H 1 7.018 0.03 A 75 PHE C C 13 177.979 0.3 A 75 PHE CA C 13 57.677 0.3 A 75 PHE CB C 13 39.703 0.3 A 75 PHE CDx C 13 131.554 0.3 A 75 PHE CDy C 13 131.554 0.3 A 75 PHE CEx C 13 130.619 0.3 A 75 PHE CEy C 13 130.619 0.3 A 75 PHE CZ C 13 129.158 0.3 A 75 PHE N N 15 107.830 0.3 A 76 VAL H H 1 7.013 0.03 A 76 VAL HA H 1 4.768 0.03 A 76 VAL HB H 1 2.183 0.03 A 76 VAL HGx% H 1 1.028 0.03 A 76 VAL HGy% H 1 1.091 0.03 A 76 VAL C C 13 180.060 0.3 A 76 VAL CA C 13 63.034 0.3 A 76 VAL CB C 13 31.091 0.3 A 76 VAL CGx C 13 21.913 0.3 A 76 VAL CGy C 13 24.153 0.3 A 76 VAL N N 15 120.734 0.3 A 77 LEU H H 1 8.870 0.03 A 77 LEU HA H 1 4.036 0.03 A 77 LEU HBx H 1 1.607 0.03 A 77 LEU HBy H 1 2.547 0.03 A 77 LEU HDx% H 1 1.030 0.03 A 77 LEU HDy% H 1 0.874 0.03 A 77 LEU HG H 1 2.224 0.03 A 77 LEU C C 13 179.109 0.3 A 77 LEU CA C 13 59.047 0.3 A 77 LEU CB C 13 40.901 0.3 A 77 LEU CDy C 13 26.806 0.3 A 77 LEU CDx C 13 22.308 0.3 A 77 LEU CG C 13 26.806 0.3 A 77 LEU N N 15 131.522 0.3 A 78 LYS H H 1 9.537 0.03 A 78 LYS HA H 1 4.201 0.03 A 78 LYS HBy H 1 1.835 0.03 A 78 LYS HBx H 1 1.603 0.03 A 78 LYS HDy H 1 1.485 0.03 A 78 LYS HDx H 1 1.373 0.03 A 78 LYS HEx H 1 2.756 0.03 A 78 LYS HEy H 1 2.805 0.03 A 78 LYS HGy H 1 1.209 0.03 A 78 LYS HGx H 1 1.104 0.03 A 78 LYS C C 13 177.996 0.3 A 78 LYS CA C 13 59.103 0.3 A 78 LYS CB C 13 31.138 0.3 A 78 LYS CD C 13 29.540 0.3 A 78 LYS CE C 13 42.067 0.3 A 78 LYS CG C 13 23.638 0.3 A 78 LYS N N 15 116.623 0.3 A 79 ASN H H 1 7.333 0.03 A 79 ASN HA H 1 4.647 0.03 A 79 ASN HBy H 1 2.803 0.03 A 79 ASN HBx H 1 2.698 0.03 A 79 ASN HD2y H 1 7.345 0.03 A 79 ASN HD2x H 1 7.139 0.03 A 79 ASN C C 13 176.150 0.3 A 79 ASN CA C 13 54.564 0.3 A 79 ASN CB C 13 37.188 0.3 A 79 ASN N N 15 121.445 0.3 A 79 ASN ND2 N 15 113.222 0.3 A 80 LEU H H 1 8.258 0.03 A 80 LEU HA H 1 4.025 0.03 A 80 LEU HBy H 1 1.960 0.03 A 80 LEU HBx H 1 1.585 0.03 A 80 LEU HDx% H 1 1.276 0.03 A 80 LEU HDy% H 1 0.988 0.03 A 80 LEU HG H 1 1.667 0.03 A 80 LEU C C 13 178.805 0.3 A 80 LEU CA C 13 58.699 0.3 A 80 LEU CB C 13 40.812 0.3 A 80 LEU CDx C 13 22.526 0.3 A 80 LEU CDy C 13 25.914 0.3 A 80 LEU CG C 13 27.412 0.3 A 80 LEU N N 15 124.268 0.3 A 81 ALA H H 1 8.579 0.03 A 81 ALA HA H 1 3.863 0.03 A 81 ALA HB% H 1 1.453 0.03 A 81 ALA C C 13 177.639 0.3 A 81 ALA CA C 13 55.256 0.3 A 81 ALA CB C 13 17.311 0.3 A 81 ALA N N 15 118.122 0.3 A 82 ALA H H 1 7.230 0.03 A 82 ALA HA H 1 4.194 0.03 A 82 ALA HB% H 1 1.601 0.03 A 82 ALA C C 13 180.817 0.3 A 82 ALA CA C 13 55.364 0.3 A 82 ALA CB C 13 17.867 0.3 A 82 ALA N N 15 119.690 0.3 A 83 ARG H H 1 8.521 0.03 A 83 ARG HA H 1 4.320 0.03 A 83 ARG HBy H 1 2.442 0.03 A 83 ARG HBx H 1 2.117 0.03 A 83 ARG HDx H 1 2.997 0.03 A 83 ARG HDy H 1 3.159 0.03 A 83 ARG HE H 1 7.755 0.03 A 83 ARG HGx H 1 1.418 0.03 A 83 ARG HGy H 1 2.228 0.03 A 83 ARG C C 13 180.606 0.3 A 83 ARG CA C 13 58.496 0.3 A 83 ARG CB C 13 31.929 0.3 A 83 ARG CD C 13 43.445 0.3 A 83 ARG CG C 13 26.505 0.3 A 83 ARG N N 15 118.252 0.3 A 83 ARG NE N 15 84.936 0.3 A 84 ILE H H 1 8.345 0.03 A 84 ILE HA H 1 3.376 0.03 A 84 ILE HB H 1 1.726 0.03 A 84 ILE HD1% H 1 0.520 0.03 A 84 ILE HG1y H 1 1.780 0.03 A 84 ILE HG1x H 1 0.520 0.03 A 84 ILE HG2% H 1 -0.160 0.03 A 84 ILE C C 13 177.305 0.3 A 84 ILE CA C 13 66.133 0.3 A 84 ILE CB C 13 37.687 0.3 A 84 ILE CD1 C 13 16.326 0.3 A 84 ILE CG1 C 13 29.885 0.3 A 84 ILE CG2 C 13 15.930 0.3 A 84 ILE N N 15 121.296 0.3 A 85 ASP H H 1 8.336 0.03 A 85 ASP HA H 1 4.400 0.03 A 85 ASP HBy H 1 2.885 0.03 A 85 ASP HBx H 1 2.671 0.03 A 85 ASP C C 13 180.198 0.3 A 85 ASP CA C 13 57.931 0.3 A 85 ASP CB C 13 39.442 0.3 A 85 ASP N N 15 120.167 0.3 A 86 GLU H H 1 8.060 0.03 A 86 GLU HA H 1 4.113 0.03 A 86 GLU HBy H 1 2.495 0.03 A 86 GLU HBx H 1 2.091 0.03 A 86 GLU HGy H 1 2.565 0.03 A 86 GLU HGx H 1 2.394 0.03 A 86 GLU C C 13 179.783 0.3 A 86 GLU CA C 13 59.162 0.3 A 86 GLU CB C 13 29.462 0.3 A 86 GLU CG C 13 36.077 0.3 A 86 GLU N N 15 121.150 0.3 A 87 LEU H H 1 8.093 0.03 A 87 LEU HA H 1 4.195 0.03 A 87 LEU HBx H 1 1.392 0.03 A 87 LEU HBy H 1 2.144 0.03 A 87 LEU HDx% H 1 0.931 0.03 A 87 LEU HDy% H 1 0.990 0.03 A 87 LEU HG H 1 2.059 0.03 A 87 LEU C C 13 180.498 0.3 A 87 LEU CA C 13 58.183 0.3 A 87 LEU CB C 13 42.047 0.3 A 87 LEU CDy C 13 27.095 0.3 A 87 LEU CDx C 13 22.847 0.3 A 87 LEU CG C 13 27.106 0.3 A 87 LEU N N 15 122.686 0.3 A 88 VAL H H 1 9.041 0.03 A 88 VAL HA H 1 3.537 0.03 A 88 VAL HB H 1 2.282 0.03 A 88 VAL HGx% H 1 1.240 0.03 A 88 VAL HGy% H 1 1.079 0.03 A 88 VAL C C 13 179.265 0.3 A 88 VAL CA C 13 66.861 0.3 A 88 VAL CB C 13 32.103 0.3 A 88 VAL CGy C 13 24.102 0.3 A 88 VAL CGx C 13 21.430 0.3 A 88 VAL N N 15 122.841 0.3 A 89 ALA H H 1 8.179 0.03 A 89 ALA HA H 1 4.216 0.03 A 89 ALA HB% H 1 1.543 0.03 A 89 ALA C C 13 180.065 0.3 A 89 ALA CA C 13 54.680 0.3 A 89 ALA CB C 13 17.836 0.3 A 89 ALA N N 15 122.980 0.3 A 90 ALA H H 1 7.858 0.03 A 90 ALA HA H 1 4.261 0.03 A 90 ALA HB% H 1 1.558 0.03 A 90 ALA C C 13 179.350 0.3 A 90 ALA CA C 13 53.986 0.3 A 90 ALA CB C 13 18.443 0.3 A 90 ALA N N 15 120.178 0.3 A 91 LYS H H 1 7.674 0.03 A 91 LYS HA H 1 4.181 0.03 A 91 LYS HBy H 1 2.029 0.03 A 91 LYS HBx H 1 1.968 0.03 A 91 LYS HDx H 1 1.773 0.03 A 91 LYS HDy H 1 1.773 0.03 A 91 LYS HEx H 1 3.108 0.03 A 91 LYS HEy H 1 3.108 0.03 A 91 LYS HGy H 1 1.719 0.03 A 91 LYS HGx H 1 1.532 0.03 A 91 LYS C C 13 178.613 0.3 A 91 LYS CA C 13 58.582 0.3 A 91 LYS CB C 13 32.409 0.3 A 91 LYS CD C 13 29.674 0.3 A 91 LYS CE C 13 42.288 0.3 A 91 LYS CG C 13 24.731 0.3 A 91 LYS N N 15 119.029 0.3 A 92 GLY H H 1 8.100 0.03 A 92 GLY HAy H 1 4.005 0.03 A 92 GLY HAx H 1 3.969 0.03 A 92 GLY C C 13 174.862 0.3 A 92 GLY CA C 13 46.033 0.3 A 92 GLY N N 15 107.175 0.3 A 93 ALA H H 1 7.906 0.03 A 93 ALA HA H 1 4.298 0.03 A 93 ALA HB% H 1 1.463 0.03 A 93 ALA C C 13 178.495 0.3 A 93 ALA CA C 13 53.259 0.3 A 93 ALA CB C 13 18.840 0.3 A 93 ALA N N 15 123.235 0.3 A 94 LEU H H 1 7.944 0.03 A 94 LEU HA H 1 4.263 0.03 A 94 LEU HBy H 1 1.723 0.03 A 94 LEU HBx H 1 1.599 0.03 A 94 LEU HDx% H 1 0.944 0.03 A 94 LEU HDy% H 1 0.884 0.03 A 94 LEU HG H 1 1.703 0.03 A 94 LEU C C 13 177.967 0.3 A 94 LEU CA C 13 55.864 0.3 A 94 LEU CB C 13 42.295 0.3 A 94 LEU CDy C 13 24.922 0.3 A 94 LEU CDx C 13 23.447 0.3 A 94 LEU CG C 13 26.921 0.3 A 94 LEU N N 15 119.814 0.3 A 95 GLU H H 1 8.095 0.03 A 95 GLU HA H 1 4.176 0.03 A 95 GLU HBx H 1 1.935 0.03 A 95 GLU C C 13 176.478 0.3 A 95 GLU CA C 13 56.852 0.3 A 95 GLU CB C 13 30.127 0.3 A 95 GLU N N 15 119.925 0.3 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 68 LYS H A 68 LYS HEx 1.0 1.8 6.33 2 2 A 68 LYS H A 68 LYS HEy 1.0 1.8 6.33 3 3 A 63 GLU HA A 66 ASP HBx 1.0 1.8 5.43 4 4 A 88 VAL H A 88 VAL HGy% 1.0 1.8 4.17 5 5 A 88 VAL HGy% A 51 PHE HDx 1.0 1.8 4.93 6 6 A 88 VAL HGy% A 85 ASP HA 1.0 1.8 4.53 7 7 A 88 VAL HGy% A 89 ALA HA 1.0 1.8 4.39 8 8 A 88 VAL HGy% A 88 VAL HA 1.0 1.8 3.90 9 9 A 88 VAL HGy% A 53 ILE HG2% 1.0 1.8 4.81 10 10 A 88 VAL HGy% A 84 ILE HG2% 1.0 1.8 5.08 11 11 A 5 PHE HDx A 77 LEU HBx 1.0 1.8 5.13 12 12 A 77 LEU HBx A 25 PRO HA 1.0 1.8 4.92 13 13 A 70 THR HB A 71 THR H 1.0 1.8 4.81 14 14 A 70 THR HB A 72 GLU H 1.0 1.8 5.42 15 15 A 84 ILE HG2% A 85 ASP H 1.0 1.8 4.05 16 16 A 85 ASP HA A 84 ILE HG2% 1.0 1.8 4.70 17 17 A 84 ILE HG2% A 81 ALA HA 1.0 1.8 4.95 18 18 A 84 ILE HG2% A 84 ILE HA 1.0 1.8 4.01 19 19 A 84 ILE HG2% A 51 PHE HBx 1.0 1.8 5.05 20 20 A 84 ILE HG2% A 51 PHE HBy 1.0 1.8 5.21 21 21 A 84 ILE HG2% A 88 VAL HB 1.0 1.8 5.13 22 22 A 84 ILE HG2% A 88 VAL HGx% 1.0 1.8 3.66 23 23 A 84 ILE HG2% A 4 THR HG2% 1.0 1.8 3.69 24 24 A 84 ILE HG2% A 8 VAL HGy% 1.0 1.8 4.32 25 25 A 84 ILE HG2% A 53 ILE HD1% 1.0 1.8 3.58 26 26 A 8 VAL H A 84 ILE HD1% 1.0 1.8 5.84 27 27 A 84 ILE HD1% A 81 ALA H 1.0 1.8 6.14 28 28 A 84 ILE HD1% A 84 ILE H 1.0 1.8 4.19 29 29 A 84 ILE HD1% A 80 LEU HA 1.0 1.8 5.74 30 30 A 81 ALA HA A 84 ILE HD1% 1.0 1.8 4.06 31 31 A 84 ILE HA A 84 ILE HD1% 1.0 1.8 4.61 32 32 A 84 ILE HD1% A 8 VAL HB 1.0 1.8 4.65 33 33 A 84 ILE HD1% A 84 ILE HB 1.0 1.8 3.85 34 34 A 84 ILE HD1% A 80 LEU HDx% 1.0 1.8 4.06 35 35 A 4 THR HG2% A 84 ILE HD1% 1.0 1.8 3.99 36 36 A 8 VAL HGy% A 84 ILE HD1% 1.0 1.8 3.34 37 37 A 84 ILE HD1% A 47 ILE HD1% 1.0 1.8 3.62 38 38 A 53 ILE HD1% A 84 ILE HG1x 1.0 1.8 4.81 39 39 A 94 LEU HDx% A 95 GLU H 1.0 1.8 5.58 40 40 A 38 LEU H A 38 LEU HDx% 1.0 1.8 4.75 41 41 A 94 LEU HDx% A 94 LEU H 1.0 1.8 5.03 42 42 A 41 LEU H A 41 LEU HDx% 1.0 1.8 4.59 43 43 A 41 LEU HDx% A 42 ASP H 1.0 1.8 5.26 44 44 A 53 ILE HG1x A 54 LYS HA 1.0 1.8 5.34 45 45 A 41 LEU HDx% A 38 LEU HA 1.0 1.8 3.69 46 46 A 38 LEU HDx% A 38 LEU HBy 1.0 1.8 3.86 47 47 A 38 LEU HDx% A 38 LEU HBx 1.0 1.8 3.60 48 48 A 41 LEU HDx% A 41 LEU HBx 1.0 1.8 4.11 49 49 A 94 LEU HDx% A 94 LEU HBx 1.0 1.8 4.09 50 50 A 38 LEU HDy% A 40 PHE H 1.0 1.8 6.33 51 51 A 40 PHE H A 41 LEU HDy% 1.0 1.8 6.33 52 52 A 38 LEU HDy% A 37 SER H 1.0 1.8 5.42 53 53 A 95 GLU H A 94 LEU HDy% 1.0 1.8 5.42 54 54 A 38 LEU H A 38 LEU HDy% 1.0 1.8 4.54 55 55 A 94 LEU H A 94 LEU HDy% 1.0 1.8 5.01 56 56 A 41 LEU H A 41 LEU HDy% 1.0 1.8 4.55 57 57 A 42 ASP H A 41 LEU HDy% 1.0 1.8 5.45 58 58 A 38 LEU HA A 38 LEU HDy% 1.0 1.8 3.44 59 59 A 94 LEU HDy% A 94 LEU HA 1.0 1.8 3.69 60 60 A 41 LEU HDy% A 41 LEU HA 1.0 1.8 3.60 61 61 A 38 LEU HDy% A 36 ASP HBy 1.0 1.8 6.33 62 62 A 38 LEU HBx A 38 LEU HDy% 1.0 1.8 3.68 63 63 A 41 LEU HDy% A 41 LEU HBx 1.0 1.8 4.05 64 64 A 25 PRO HA A 24 THR HA 1.0 1.8 5.54 65 65 A 24 THR HA A 25 PRO HDx 1.0 1.8 4.36 66 66 A 24 THR HA A 25 PRO HDy 1.0 1.8 4.14 67 67 A 24 THR HA A 25 PRO HGy 1.0 1.8 5.43 68 68 A 24 THR HA A 25 PRO HGx 1.0 1.8 5.47 69 69 A 56 PRO HA A 57 LEU HA 1.0 1.8 5.44 70 70 A 5 PHE HDy A 6 ASP HA 1.0 1.8 5.50 71 71 A 6 ASP HA A 20 ARG HH1y 1.0 1.8 5.75 72 72 A 6 ASP HA A 20 ARG HH2x 1.0 1.8 5.77 73 73 A 6 ASP HA A 20 ARG HH2y 1.0 1.8 5.77 74 74 A 5 PHE HEx A 77 LEU HA 1.0 1.8 5.22 75 75 A 77 LEU HA A 76 VAL HA 1.0 1.8 5.49 76 76 A 7 ARG HA A 10 THR HB 1.0 1.8 5.40 77 77 A 61 THR HB A 62 GLN HA 1.0 1.8 5.81 78 78 A 25 PRO HA A 77 LEU HA 1.0 1.8 6.16 79 79 A 62 GLN HA A 62 GLN HGx 1.0 1.8 4.15 80 80 A 89 ALA HA A 88 VAL HA 1.0 1.8 6.33 81 81 A 8 VAL HA A 11 ILE HA 1.0 1.8 5.74 82 82 A 8 VAL HA A 11 ILE HB 1.0 1.8 4.03 83 83 A 8 VAL HA A 11 ILE HG1y 1.0 1.8 4.65 84 84 A 8 VAL HA A 11 ILE HG1x 1.0 1.8 3.92 85 85 A 88 VAL HA A 53 ILE HG2% 1.0 1.8 3.73 86 86 A 9 ALA HA A 12 ILE H 1.0 1.8 5.07 87 87 A 6 ASP HA A 9 ALA HA 1.0 1.8 5.92 88 88 A 9 ALA HA A 12 ILE HB 1.0 1.8 4.60 89 89 A 9 ALA HA A 13 ALA HB% 1.0 1.8 5.60 90 90 A 9 ALA HB% A 10 THR HA 1.0 1.8 5.77 91 91 A 10 THR HA A 23 ILE HD1% 1.0 1.8 6.20 92 92 A 11 ILE HA A 11 ILE HG1y 1.0 1.8 4.24 93 93 A 11 ILE HA A 10 THR HG2% 1.0 1.8 4.86 94 94 A 11 ILE HA A 11 ILE HG1x 1.0 1.8 4.47 95 95 A 12 ILE HA A 15 THR HB 1.0 1.8 5.12 96 96 A 12 ILE HA A 12 ILE HG2% 1.0 1.8 3.82 97 97 A 87 LEU HA A 90 ALA H 1.0 1.8 4.98 98 98 A 91 LYS HA A 93 ALA H 1.0 1.8 5.57 99 99 A 91 LYS HA A 92 GLY HAy 1.0 1.8 5.65 100 100 A 88 VAL HA A 87 LEU HA 1.0 1.8 5.60 101 101 A 84 ILE HA A 87 LEU HA 1.0 1.8 6.13 102 102 A 91 LYS HA A 91 LYS HGy 1.0 1.8 4.51 103 103 A 53 ILE HD1% A 87 LEU HA 1.0 1.8 5.75 104 104 A 42 ASP HA A 45 PHE H 1.0 1.8 5.75 105 105 A 42 ASP HA A 45 PHE HBx 1.0 1.8 4.58 106 106 A 42 ASP HA A 45 PHE HBy 1.0 1.8 4.99 107 107 A 42 ASP HA A 15 THR HG2% 1.0 1.8 5.28 108 108 A 13 ALA HB% A 19 PRO HA 1.0 1.8 5.20 109 109 A 19 PRO HA A 18 ILE HG2% 1.0 1.8 5.00 110 110 A 19 PRO HA A 20 ARG HA 1.0 1.8 5.19 111 111 A 20 ARG HA A 20 ARG HDx 1.0 1.8 4.69 112 112 A 20 ARG HA A 23 ILE HB 1.0 1.8 4.90 113 113 A 20 ARG HA A 23 ILE HG1x 1.0 1.8 4.90 114 114 A 13 ALA HB% A 20 ARG HA 1.0 1.8 4.49 115 115 A 21 GLU HA A 23 ILE H 1.0 1.8 5.23 116 116 A 60 TRP HH2 A 83 ARG HA 1.0 1.8 6.10 117 117 A 83 ARG HA A 83 ARG HDx 1.0 1.8 5.28 118 118 A 21 GLU HA A 21 GLU HGx 1.0 1.8 4.62 119 119 A 23 ILE HA A 24 THR HG2% 1.0 1.8 5.35 120 120 A 23 ILE HA A 33 LEU HDx% 1.0 1.8 5.49 121 121 A 23 ILE HA A 33 LEU HDy% 1.0 1.8 4.59 122 122 A 5 PHE HDx A 25 PRO HA 1.0 1.8 5.80 123 123 A 25 PRO HA A 78 LYS HA 1.0 1.8 5.45 124 124 A 25 PRO HA A 77 LEU HBy 1.0 1.8 4.92 125 125 A 25 PRO HA A 76 VAL HGx% 1.0 1.8 5.59 126 126 A 25 PRO HA A 77 LEU HDx% 1.0 1.8 5.89 127 127 A 76 VAL HGx% A 26 GLU HA 1.0 1.8 4.80 128 128 A 27 SER HA A 28 HIS HBx 1.0 1.8 5.53 129 129 A 27 SER HA A 32 ASP HBy 1.0 1.8 5.83 130 130 A 33 LEU HDx% A 27 SER HA 1.0 1.8 6.30 131 131 A 30 ILE HA A 35 ILE HB 1.0 1.8 5.28 132 132 A 30 ILE HA A 33 LEU HBx 1.0 1.8 5.37 133 133 A 30 ILE HA A 30 ILE HG1y 1.0 1.8 4.74 134 134 A 30 ILE HA A 30 ILE HG1x 1.0 1.8 4.74 135 135 A 28 HIS HBx A 31 ASP HA 1.0 1.8 5.18 136 136 A 29 ALA HA A 33 LEU HA 1.0 1.8 5.45 137 137 A 40 PHE HA A 40 PHE HDx 1.0 1.8 5.70 138 138 A 40 PHE HA A 43 ILE HB 1.0 1.8 4.78 139 139 A 43 ILE HA A 46 ALA H 1.0 1.8 5.35 140 140 A 15 THR HB A 43 ILE HA 1.0 1.8 5.39 141 141 A 43 ILE HA A 46 ALA HB% 1.0 1.8 4.32 142 142 A 43 ILE HA A 43 ILE HG2% 1.0 1.8 4.15 143 143 A 44 ALA HA A 47 ILE H 1.0 1.8 4.97 144 144 A 81 ALA HA A 82 ALA HA 1.0 1.8 5.82 145 145 A 44 ALA HA A 47 ILE HB 1.0 1.8 4.42 146 146 A 81 ALA HA A 84 ILE HB 1.0 1.8 4.29 147 147 A 44 ALA HA A 55 LEU HBy 1.0 1.8 5.22 148 148 A 81 ALA HA A 80 LEU HDx% 1.0 1.8 5.31 149 149 A 81 ALA HA A 8 VAL HGy% 1.0 1.8 4.34 150 150 A 45 PHE HA A 49 LYS H 1.0 1.8 5.28 151 151 A 45 PHE HA A 48 ASP HBy 1.0 1.8 4.37 152 152 A 46 ALA HB% A 45 PHE HA 1.0 1.8 6.33 153 153 A 45 PHE HA A 44 ALA HB% 1.0 1.8 5.24 154 154 A 45 PHE HBx A 46 ALA HA 1.0 1.8 5.46 155 155 A 82 ALA HA A 85 ASP HBy 1.0 1.8 4.96 156 156 A 46 ALA HA A 49 LYS HBx 1.0 1.8 4.04 157 157 A 46 ALA HA A 49 LYS HGx 1.0 1.8 5.05 158 158 A 47 ILE HA A 51 PHE H 1.0 1.8 5.52 159 159 A 47 ILE HA A 50 ALA H 1.0 1.8 5.16 160 160 A 47 ILE HA A 47 ILE HG1x 1.0 1.8 4.69 161 161 A 88 VAL H A 85 ASP HA 1.0 1.8 4.68 162 162 A 85 ASP HA A 89 ALA H 1.0 1.8 5.03 163 163 A 48 ASP HA A 52 GLY HAy 1.0 1.8 5.47 164 164 A 48 ASP HA A 53 ILE HG1y 1.0 1.8 4.63 165 165 A 53 ILE HD1% A 48 ASP HA 1.0 1.8 5.18 166 166 A 77 LEU HA A 79 ASN H 1.0 1.8 4.99 167 167 A 5 PHE HDx A 77 LEU HA 1.0 1.8 5.83 168 168 A 77 LEU HA A 80 LEU HBx 1.0 1.8 3.96 169 169 A 80 LEU HA A 80 LEU HDx% 1.0 1.8 3.80 170 170 A 77 LEU HA A 80 LEU HDy% 1.0 1.8 4.11 171 171 A 50 ALA HA A 51 PHE HDy 1.0 1.8 5.51 172 172 A 47 ILE HA A 50 ALA HA 1.0 1.8 6.08 173 173 A 49 LYS HBx A 50 ALA HA 1.0 1.8 5.73 174 174 A 50 ALA HA A 49 LYS HBy 1.0 1.8 6.12 175 175 A 50 ALA HB% A 51 PHE HA 1.0 1.8 4.92 176 176 A 88 VAL HGx% A 51 PHE HA 1.0 1.8 5.36 177 177 A 53 ILE HG2% A 51 PHE HA 1.0 1.8 5.38 178 178 A 48 ASP HA A 53 ILE HA 1.0 1.8 6.06 179 179 A 56 PRO HA A 55 LEU HBx 1.0 1.8 5.85 180 180 A 57 LEU HA A 60 TRP H 1.0 1.8 5.15 181 181 A 57 LEU HA A 60 TRP HE3 1.0 1.8 5.18 182 182 A 57 LEU HA A 60 TRP HBy 1.0 1.8 5.40 183 183 A 57 LEU HA A 60 TRP HBx 1.0 1.8 5.40 184 184 A 58 GLU HA A 58 GLU HGx 1.0 1.8 4.23 185 185 A 86 GLU HA A 86 GLU HGx 1.0 1.8 4.55 186 186 A 59 LYS HA A 62 GLN HBx 1.0 1.8 4.72 187 187 A 86 GLU HA A 89 ALA HB% 1.0 1.8 3.67 188 188 A 61 THR HA A 64 VAL H 1.0 1.8 5.01 189 189 A 61 THR HA A 64 VAL HB 1.0 1.8 4.58 190 190 A 63 GLU HA A 68 LYS HBy 1.0 1.8 4.42 191 191 A 62 GLN HA A 65 ASN HA 1.0 1.8 6.13 192 192 A 68 LYS HA A 68 LYS HGy 1.0 1.8 3.94 193 193 A 68 LYS H A 69 ALA HA 1.0 1.8 5.91 194 194 A 68 LYS HA A 69 ALA HA 1.0 1.8 5.29 195 195 A 69 ALA HA A 64 VAL HGy% 1.0 1.8 5.54 196 196 A 4 THR H A 3 SER HBx 1.0 1.8 5.26 197 197 A 72 GLU HA A 75 PHE H 1.0 1.8 5.36 198 198 A 73 GLN HA A 79 ASN HD2y 1.0 1.8 4.14 199 199 A 73 GLN HA A 79 ASN HD2x 1.0 1.8 4.82 200 200 A 72 GLU HA A 73 GLN HA 1.0 1.8 5.58 201 201 A 73 GLN HA A 72 GLU HBy 1.0 1.8 6.08 202 202 A 73 GLN HA A 76 VAL HB 1.0 1.8 6.33 203 203 A 5 PHE HEx A 78 LYS HA 1.0 1.8 5.67 204 204 A 78 LYS HA A 82 ALA H 1.0 1.8 6.33 205 205 A 78 LYS HA A 5 PHE HA 1.0 1.8 5.58 206 206 A 88 VAL H A 84 ILE HA 1.0 1.8 5.42 207 207 A 84 ILE HA A 87 LEU H 1.0 1.8 4.92 208 208 A 84 ILE HA A 88 VAL HGx% 1.0 1.8 4.96 209 209 A 84 ILE HA A 87 LEU HDx% 1.0 1.8 4.21 210 210 A 89 ALA HA A 91 LYS H 1.0 1.8 5.51 211 211 A 89 ALA HA A 88 VAL HB 1.0 1.8 5.46 212 212 A 95 GLU H A 93 ALA HA 1.0 1.8 5.52 213 213 A 93 ALA HA A 92 GLY HAx 1.0 1.8 5.60 214 214 A 92 GLY HAy A 93 ALA HA 1.0 1.8 6.20 215 215 A 92 GLY HAx A 93 ALA HB% 1.0 1.8 5.49 216 216 A 8 VAL H A 9 ALA HB% 1.0 1.8 5.07 217 217 A 18 ILE HG2% A 23 ILE H 1.0 1.8 4.81 218 218 A 9 ALA HB% A 5 PHE HEy 1.0 1.8 5.60 219 219 A 5 PHE HDy A 9 ALA HB% 1.0 1.8 5.77 220 220 A 9 ALA HB% A 5 PHE HZ 1.0 1.8 4.40 221 221 A 18 ILE HG2% A 18 ILE HA 1.0 1.8 3.96 222 222 A 10 THR HB A 9 ALA HB% 1.0 1.8 4.57 223 223 A 18 ILE HG2% A 19 PRO HDy 1.0 1.8 4.11 224 224 A 6 ASP HA A 9 ALA HB% 1.0 1.8 3.89 225 225 A 18 ILE HG2% A 19 PRO HDx 1.0 1.8 4.11 226 226 A 9 ALA HB% A 20 ARG HDy 1.0 1.8 4.78 227 227 A 18 ILE HG2% A 33 LEU HBy 1.0 1.8 5.24 228 228 A 8 VAL HB A 9 ALA HB% 1.0 1.8 5.16 229 229 A 9 ALA HB% A 23 ILE HB 1.0 1.8 5.98 230 230 A 18 ILE HG2% A 23 ILE HG1x 1.0 1.8 3.94 231 231 A 13 ALA HB% A 9 ALA HB% 1.0 1.8 5.39 232 232 A 13 ALA HB% A 18 ILE HG2% 1.0 1.8 5.68 233 233 A 18 ILE HG2% A 18 ILE HG1y 1.0 1.8 4.01 234 234 A 18 ILE HG2% A 22 THR HG2% 1.0 1.8 4.88 235 235 A 18 ILE HG2% A 18 ILE HG1x 1.0 1.8 4.01 236 236 A 10 THR HB A 10 THR H 1.0 1.8 4.03 237 237 A 61 THR HB A 58 GLU HA 1.0 1.8 4.29 238 238 A 61 THR HB A 62 GLN HBy 1.0 1.8 5.35 239 239 A 61 THR HB A 58 GLU HBx 1.0 1.8 5.43 240 240 A 11 ILE HB A 12 ILE H 1.0 1.8 4.98 241 241 A 12 ILE H A 13 ALA HB% 1.0 1.8 5.14 242 242 A 13 ALA HB% A 13 ALA H 1.0 1.8 3.46 243 243 A 13 ALA HB% A 18 ILE H 1.0 1.8 4.52 244 244 A 13 ALA HB% A 10 THR HA 1.0 1.8 3.63 245 245 A 13 ALA HB% A 12 ILE HA 1.0 1.8 5.88 246 246 A 13 ALA HB% A 20 ARG HDy 1.0 1.8 4.85 247 247 A 13 ALA HB% A 20 ARG HDx 1.0 1.8 4.85 248 248 A 13 ALA HB% A 14 GLU HGy 1.0 1.8 5.21 249 249 A 90 ALA HB% A 91 LYS HBx 1.0 1.8 4.93 250 250 A 13 ALA HB% A 23 ILE HG1x 1.0 1.8 5.34 251 251 A 90 ALA HB% A 87 LEU HDy% 1.0 1.8 4.13 252 252 A 13 ALA HB% A 23 ILE HD1% 1.0 1.8 3.27 253 253 A 15 THR HB A 43 ILE HG1x 1.0 1.8 5.45 254 254 A 15 THR HB A 43 ILE HD1% 1.0 1.8 5.90 255 255 A 84 ILE HA A 87 LEU HBx 1.0 1.8 5.16 256 256 A 87 LEU HDx% A 87 LEU HBx 1.0 1.8 4.66 257 257 A 22 THR H A 22 THR HB 1.0 1.8 4.84 258 258 A 23 ILE H A 22 THR HB 1.0 1.8 5.42 259 259 A 22 THR HB A 19 PRO HBy 1.0 1.8 6.33 260 260 A 23 ILE HG1x A 22 THR HB 1.0 1.8 6.33 261 261 A 18 ILE HG2% A 22 THR HB 1.0 1.8 5.95 262 262 A 25 PRO HGy A 24 THR HB 1.0 1.8 4.95 263 263 A 25 PRO HGx A 24 THR HB 1.0 1.8 5.77 264 264 A 29 ALA H A 29 ALA HB% 1.0 1.8 3.94 265 265 A 46 ALA HB% A 44 ALA H 1.0 1.8 6.27 266 266 A 29 ALA HB% A 77 LEU H 1.0 1.8 6.33 267 267 A 29 ALA HB% A 30 ILE H 1.0 1.8 4.66 268 268 A 45 PHE H A 46 ALA HB% 1.0 1.8 4.95 269 269 A 46 ALA HB% A 49 LYS H 1.0 1.8 5.59 270 270 A 46 ALA HB% A 45 PHE HDx 1.0 1.8 5.72 271 271 A 29 ALA HB% A 28 HIS HA 1.0 1.8 4.81 272 272 A 33 LEU HBy A 29 ALA HB% 1.0 1.8 5.46 273 273 A 15 THR HG2% A 46 ALA HB% 1.0 1.8 4.49 274 274 A 33 LEU HDx% A 29 ALA HB% 1.0 1.8 4.38 275 275 A 46 ALA HB% A 11 ILE HG2% 1.0 1.8 3.27 276 276 A 29 ALA HB% A 30 ILE HD1% 1.0 1.8 4.96 277 277 A 15 THR HG2% A 43 ILE HB 1.0 1.8 5.85 278 278 A 88 VAL HGx% A 84 ILE HB 1.0 1.8 6.33 279 279 A 8 VAL HGy% A 84 ILE HB 1.0 1.8 5.28 280 280 A 43 ILE HB A 43 ILE HD1% 1.0 1.8 4.22 281 281 A 44 ALA HB% A 44 ALA H 1.0 1.8 3.73 282 282 A 45 PHE H A 44 ALA HB% 1.0 1.8 4.12 283 283 A 44 ALA HB% A 57 LEU H 1.0 1.8 4.39 284 284 A 41 LEU HA A 44 ALA HB% 1.0 1.8 4.04 285 285 A 57 LEU HA A 44 ALA HB% 1.0 1.8 5.13 286 286 A 47 ILE HB A 44 ALA HB% 1.0 1.8 5.54 287 287 A 43 ILE HB A 44 ALA HB% 1.0 1.8 4.46 288 288 A 44 ALA HB% A 57 LEU HBy 1.0 1.8 3.55 289 289 A 44 ALA HB% A 55 LEU HDx% 1.0 1.8 3.75 290 290 A 44 ALA HB% A 57 LEU HDx% 1.0 1.8 3.93 291 291 A 46 ALA HB% A 47 ILE H 1.0 1.8 4.24 292 292 A 46 ALA H A 46 ALA HB% 1.0 1.8 3.69 293 293 A 53 ILE HD1% A 47 ILE HB 1.0 1.8 5.74 294 294 A 47 ILE H A 50 ALA HB% 1.0 1.8 5.78 295 295 A 50 ALA HB% A 48 ASP H 1.0 1.8 6.33 296 296 A 51 PHE H A 50 ALA HB% 1.0 1.8 4.23 297 297 A 50 ALA H A 50 ALA HB% 1.0 1.8 3.53 298 298 A 46 ALA HA A 50 ALA HB% 1.0 1.8 5.38 299 299 A 47 ILE HA A 50 ALA HB% 1.0 1.8 4.11 300 300 A 51 PHE HBy A 50 ALA HB% 1.0 1.8 5.31 301 301 A 47 ILE HB A 50 ALA HB% 1.0 1.8 6.11 302 302 A 50 ALA HB% A 7 ARG HBx 1.0 1.8 6.33 303 303 A 11 ILE HB A 50 ALA HB% 1.0 1.8 6.33 304 304 A 49 LYS HBx A 50 ALA HB% 1.0 1.8 4.93 305 305 A 46 ALA HB% A 50 ALA HB% 1.0 1.8 4.31 306 306 A 11 ILE HG1x A 50 ALA HB% 1.0 1.8 4.49 307 307 A 50 ALA HB% A 47 ILE HG2% 1.0 1.8 4.32 308 308 A 50 ALA HB% A 11 ILE HD1% 1.0 1.8 3.57 309 309 A 55 LEU HBy A 53 ILE HB 1.0 1.8 6.33 310 310 A 53 ILE HB A 87 LEU HBx 1.0 1.8 5.28 311 311 A 87 LEU HDx% A 53 ILE HB 1.0 1.8 5.64 312 312 A 69 ALA HB% A 74 TYR HDy 1.0 1.8 4.93 313 313 A 69 ALA HB% A 64 VAL HA 1.0 1.8 4.73 314 314 A 69 ALA HB% A 63 GLU HBy 1.0 1.8 4.44 315 315 A 69 ALA HB% A 63 GLU HBx 1.0 1.8 4.44 316 316 A 64 VAL HGx% A 71 THR HB 1.0 1.8 5.42 317 317 A 64 VAL HGy% A 71 THR HB 1.0 1.8 5.70 318 318 A 4 THR H A 81 ALA HB% 1.0 1.8 5.44 319 319 A 84 ILE H A 81 ALA HB% 1.0 1.8 6.05 320 320 A 78 LYS HA A 81 ALA HB% 1.0 1.8 3.68 321 321 A 81 ALA HB% A 5 PHE HBy 1.0 1.8 4.49 322 322 A 81 ALA HB% A 5 PHE HBx 1.0 1.8 5.06 323 323 A 8 VAL HB A 81 ALA HB% 1.0 1.8 4.86 324 324 A 4 THR HG2% A 81 ALA HB% 1.0 1.8 3.62 325 325 A 8 VAL HGy% A 81 ALA HB% 1.0 1.8 4.04 326 326 A 84 ILE HD1% A 81 ALA HB% 1.0 1.8 4.51 327 327 A 84 ILE HG2% A 81 ALA HB% 1.0 1.8 5.82 328 328 A 82 ALA HB% A 83 ARG H 1.0 1.8 3.96 329 329 A 85 ASP H A 82 ALA HB% 1.0 1.8 6.12 330 330 A 82 ALA HB% A 86 GLU H 1.0 1.8 5.87 331 331 A 82 ALA H A 82 ALA HB% 1.0 1.8 3.32 332 332 A 82 ALA HB% A 79 ASN HA 1.0 1.8 3.83 333 333 A 88 VAL H A 88 VAL HB 1.0 1.8 4.20 334 334 A 85 ASP HA A 88 VAL HB 1.0 1.8 5.62 335 335 A 64 VAL HB A 71 THR HG2% 1.0 1.8 5.12 336 336 A 88 VAL H A 89 ALA HB% 1.0 1.8 5.08 337 337 A 88 VAL HGy% A 89 ALA HB% 1.0 1.8 4.12 338 338 A 94 LEU H A 93 ALA HB% 1.0 1.8 3.91 339 339 A 66 ASP H A 66 ASP HBy 1.0 1.8 4.22 340 340 A 63 GLU HA A 66 ASP HBy 1.0 1.8 5.43 341 341 A 18 ILE HB A 16 CYS HBy 1.0 1.8 5.91 342 342 A 57 LEU HDx% A 40 PHE HBy 1.0 1.8 6.10 343 343 A 11 ILE HG1y A 10 THR HG2% 1.0 1.8 4.68 344 344 A 19 PRO HBx A 21 GLU HBx 1.0 1.8 6.07 345 345 A 22 THR HG2% A 21 GLU HBy 1.0 1.8 5.09 346 346 A 22 THR HG2% A 21 GLU HBx 1.0 1.8 5.54 347 347 A 28 HIS HBy A 31 ASP H 1.0 1.8 5.16 348 348 A 28 HIS HBx A 31 ASP HBy 1.0 1.8 5.40 349 349 A 88 VAL HA A 91 LYS HEx 1.0 1.8 5.50 350 350 A 88 VAL HA A 91 LYS HEy 1.0 1.8 5.50 351 351 A 88 VAL HGx% A 91 LYS HEx 1.0 1.8 5.84 352 352 A 88 VAL HGx% A 91 LYS HEy 1.0 1.8 5.84 353 353 A 88 VAL HGy% A 91 LYS HEx 1.0 1.8 6.33 354 354 A 88 VAL HGy% A 91 LYS HEy 1.0 1.8 6.33 355 355 A 53 ILE HG2% A 91 LYS HEx 1.0 1.8 5.36 356 356 A 53 ILE HG2% A 91 LYS HEy 1.0 1.8 5.36 357 357 A 40 PHE HBx A 43 ILE H 1.0 1.8 6.24 358 358 A 78 LYS HA A 5 PHE HBy 1.0 1.8 5.50 359 359 A 40 PHE HBx A 37 SER HA 1.0 1.8 4.75 360 360 A 40 PHE HBx A 57 LEU HDy% 1.0 1.8 4.85 361 361 A 45 PHE HBx A 49 LYS H 1.0 1.8 6.33 362 362 A 45 PHE HBx A 48 ASP HBy 1.0 1.8 6.33 363 363 A 45 PHE HBy A 48 ASP HBy 1.0 1.8 6.33 364 364 A 45 PHE HBx A 46 ALA HB% 1.0 1.8 5.16 365 365 A 45 PHE HBy A 44 ALA HB% 1.0 1.8 5.35 366 366 A 45 PHE HA A 48 ASP HBx 1.0 1.8 4.91 367 367 A 58 GLU HBy A 59 LYS H 1.0 1.8 5.13 368 368 A 58 GLU HBy A 57 LEU HBx 1.0 1.8 5.30 369 369 A 62 GLN HA A 65 ASN HBx 1.0 1.8 3.92 370 370 A 62 GLN HBy A 65 ASN HBx 1.0 1.8 6.03 371 371 A 64 VAL HB A 65 ASN HBx 1.0 1.8 6.33 372 372 A 65 ASN HBx A 61 THR HG2% 1.0 1.8 5.57 373 373 A 61 THR HG2% A 65 ASN HBy 1.0 1.8 6.31 374 374 A 64 VAL HGx% A 65 ASN HBy 1.0 1.8 6.33 375 375 A 68 LYS H A 68 LYS HBx 1.0 1.8 4.76 376 376 A 63 GLU HA A 68 LYS HBx 1.0 1.8 5.14 377 377 A 54 LYS HA A 54 LYS HDx 1.0 1.8 6.33 378 378 A 54 LYS HA A 54 LYS HDy 1.0 1.8 6.33 379 379 A 45 PHE H A 48 ASP HBy 1.0 1.8 5.89 380 380 A 83 ARG HA A 86 GLU HBy 1.0 1.8 5.08 381 381 A 88 VAL HA A 91 LYS HBx 1.0 1.8 5.46 382 382 A 91 LYS HBx A 91 LYS HEx 1.0 1.8 5.91 383 383 A 91 LYS HBx A 91 LYS HEy 1.0 1.8 5.91 384 384 A 94 LEU H A 94 LEU HBy 1.0 1.8 4.45 385 385 A 94 LEU HDx% A 94 LEU HBy 1.0 1.8 4.09 386 386 A 14 GLU H A 14 GLU HBx 1.0 1.8 4.43 387 387 A 18 ILE HB A 16 CYS HBx 1.0 1.8 5.91 388 388 A 17 ASP H A 17 ASP HBx 1.0 1.8 4.76 389 389 A 43 ILE H A 43 ILE HG1y 1.0 1.8 4.92 390 390 A 15 THR HB A 43 ILE HG1y 1.0 1.8 4.83 391 391 A 40 PHE HA A 43 ILE HG1y 1.0 1.8 4.60 392 392 A 15 THR HG2% A 43 ILE HG1y 1.0 1.8 4.75 393 393 A 11 ILE HG2% A 43 ILE HG1y 1.0 1.8 5.30 394 394 A 28 HIS HBx A 31 ASP H 1.0 1.8 5.20 395 395 A 28 HIS HBx A 76 VAL HGy% 1.0 1.8 5.97 396 396 A 28 HIS HBx A 31 ASP HBx 1.0 1.8 5.40 397 397 A 54 LYS HA A 54 LYS HEx 1.0 1.8 6.33 398 398 A 54 LYS HA A 54 LYS HEy 1.0 1.8 6.33 399 399 A 9 ALA HB% A 20 ARG HDx 1.0 1.8 4.78 400 400 A 29 ALA HA A 33 LEU HBy 1.0 1.8 5.26 401 401 A 26 GLU HA A 78 LYS HEx 1.0 1.8 5.45 402 402 A 40 PHE HBy A 37 SER HA 1.0 1.8 5.52 403 403 A 2 THR HB A 7 ARG HGy 1.0 1.8 5.93 404 404 A 7 ARG HGy A 4 THR HA 1.0 1.8 6.26 405 405 A 7 ARG HA A 7 ARG HGy 1.0 1.8 4.53 406 406 A 57 LEU HBy A 55 LEU HDy% 1.0 1.8 4.98 407 407 A 60 TRP H A 59 LYS HBx 1.0 1.8 4.60 408 408 A 59 LYS HBx A 60 TRP HA 1.0 1.8 5.18 409 409 A 72 GLU HBy A 76 VAL HGy% 1.0 1.8 4.69 410 410 A 77 LEU HBy A 12 ILE HD1% 1.0 1.8 4.65 411 411 A 78 LYS HDx A 78 LYS HBx 1.0 1.8 4.84 412 412 A 80 LEU H A 79 ASN HBx 1.0 1.8 5.54 413 413 A 86 GLU H A 85 ASP HBx 1.0 1.8 5.12 414 414 A 82 ALA HA A 85 ASP HBx 1.0 1.8 4.96 415 415 A 83 ARG HA A 86 GLU HBx 1.0 1.8 5.19 416 416 A 89 ALA HB% A 86 GLU HBx 1.0 1.8 6.33 417 417 A 90 ALA HB% A 86 GLU HBx 1.0 1.8 6.33 418 418 A 88 VAL H A 87 LEU HBy 1.0 1.8 5.32 419 419 A 87 LEU H A 87 LEU HBy 1.0 1.8 4.70 420 420 A 84 ILE HA A 87 LEU HBy 1.0 1.8 5.16 421 421 A 53 ILE HB A 87 LEU HBy 1.0 1.8 5.28 422 422 A 87 LEU HDx% A 87 LEU HBy 1.0 1.8 4.66 423 423 A 91 LYS HBy A 92 GLY H 1.0 1.8 4.91 424 424 A 91 LYS H A 91 LYS HBy 1.0 1.8 4.34 425 425 A 91 LYS HBy A 91 LYS HEx 1.0 1.8 6.33 426 426 A 91 LYS HBy A 91 LYS HEy 1.0 1.8 6.33 427 427 A 94 LEU H A 94 LEU HBx 1.0 1.8 4.45 428 428 A 57 LEU H A 57 LEU HG 1.0 1.8 5.32 429 429 A 80 LEU HA A 83 ARG HGy 1.0 1.8 6.15 430 430 A 80 LEU HDy% A 80 LEU H 1.0 1.8 5.22 431 431 A 80 LEU HA A 80 LEU HDy% 1.0 1.8 5.08 432 432 A 41 LEU HDx% A 41 LEU HA 1.0 1.8 4.47 433 433 A 80 LEU HBx A 80 LEU HDy% 1.0 1.8 3.84 434 434 A 41 LEU HDx% A 41 LEU HBy 1.0 1.8 4.11 435 435 A 25 PRO HGy A 26 GLU H 1.0 1.8 5.40 436 436 A 8 VAL HGx% A 9 ALA H 1.0 1.8 4.69 437 437 A 8 VAL HGx% A 51 PHE HEx 1.0 1.8 5.13 438 438 A 5 PHE HDx A 8 VAL HGx% 1.0 1.8 6.05 439 439 A 5 PHE HA A 8 VAL HGx% 1.0 1.8 6.33 440 440 A 47 ILE HA A 8 VAL HGx% 1.0 1.8 6.33 441 441 A 9 ALA HA A 8 VAL HGx% 1.0 1.8 4.81 442 442 A 8 VAL HA A 8 VAL HGx% 1.0 1.8 3.98 443 443 A 8 VAL HGx% A 80 LEU HG 1.0 1.8 4.76 444 444 A 80 LEU HDx% A 8 VAL HGx% 1.0 1.8 4.42 445 445 A 84 ILE HD1% A 8 VAL HGx% 1.0 1.8 4.26 446 446 A 76 VAL HGx% A 77 LEU H 1.0 1.8 4.24 447 447 A 76 VAL HGx% A 79 ASN H 1.0 1.8 3.84 448 448 A 76 VAL HGx% A 79 ASN HD2x 1.0 1.8 4.51 449 449 A 76 VAL HGx% A 76 VAL H 1.0 1.8 4.38 450 450 A 76 VAL HA A 76 VAL HGx% 1.0 1.8 4.00 451 451 A 65 ASN HA A 64 VAL HGx% 1.0 1.8 4.34 452 452 A 64 VAL HA A 64 VAL HGx% 1.0 1.8 3.52 453 453 A 61 THR HA A 64 VAL HGy% 1.0 1.8 4.86 454 454 A 64 VAL HGx% A 65 ASN HBx 1.0 1.8 5.61 455 455 A 76 VAL HGx% A 78 LYS HEx 1.0 1.8 4.70 456 456 A 76 VAL HGx% A 80 LEU HBx 1.0 1.8 6.28 457 457 A 88 VAL HGx% A 51 PHE HEy 1.0 1.8 5.12 458 458 A 54 LYS HA A 54 LYS HGy 1.0 1.8 4.53 459 459 A 85 ASP HA A 88 VAL HGx% 1.0 1.8 4.40 460 460 A 88 VAL HA A 88 VAL HGx% 1.0 1.8 3.63 461 461 A 51 PHE HBx A 88 VAL HGx% 1.0 1.8 4.28 462 462 A 51 PHE HBy A 88 VAL HGx% 1.0 1.8 4.31 463 463 A 53 ILE HG2% A 88 VAL HGx% 1.0 1.8 3.52 464 464 A 88 VAL HGx% A 84 ILE HD1% 1.0 1.8 5.24 465 465 A 18 ILE H A 18 ILE HG1y 1.0 1.8 4.99 466 466 A 8 VAL H A 7 ARG HGy 1.0 1.8 5.46 467 467 A 47 ILE HG1x A 50 ALA HB% 1.0 1.8 5.75 468 468 A 53 ILE HG1y A 52 GLY H 1.0 1.8 5.46 469 469 A 53 ILE HG1y A 54 LYS H 1.0 1.8 5.40 470 470 A 49 LYS H A 49 LYS HGy 1.0 1.8 4.90 471 471 A 51 PHE HBy A 53 ILE HG1y 1.0 1.8 5.01 472 472 A 84 ILE H A 84 ILE HG1y 1.0 1.8 4.88 473 473 A 11 ILE HG1x A 46 ALA HB% 1.0 1.8 5.45 474 474 A 11 ILE HG1x A 10 THR HG2% 1.0 1.8 5.73 475 475 A 11 ILE HG1x A 11 ILE HG2% 1.0 1.8 4.43 476 476 A 77 LEU HDy% A 12 ILE HG1x 1.0 1.8 5.77 477 477 A 30 ILE H A 30 ILE HG1x 1.0 1.8 4.99 478 478 A 77 LEU HDx% A 23 ILE HG1y 1.0 1.8 5.19 479 479 A 8 VAL HGy% A 9 ALA H 1.0 1.8 4.49 480 480 A 8 VAL HGy% A 8 VAL H 1.0 1.8 3.73 481 481 A 8 VAL HGy% A 51 PHE HEy 1.0 1.8 4.84 482 482 A 53 ILE HG1x A 48 ASP HA 1.0 1.8 4.97 483 483 A 8 VAL HGy% A 5 PHE HA 1.0 1.8 4.58 484 484 A 8 VAL HGy% A 8 VAL HA 1.0 1.8 3.78 485 485 A 51 PHE HBx A 53 ILE HG1x 1.0 1.8 5.84 486 486 A 51 PHE HBy A 53 ILE HG1x 1.0 1.8 5.16 487 487 A 8 VAL HGy% A 80 LEU HDx% 1.0 1.8 4.81 488 488 A 71 THR H A 70 THR HG2% 1.0 1.8 4.58 489 489 A 72 GLU H A 70 THR HG2% 1.0 1.8 4.97 490 490 A 10 THR HG2% A 13 ALA H 1.0 1.8 5.80 491 491 A 10 THR HG2% A 14 GLU H 1.0 1.8 5.57 492 492 A 70 THR HG2% A 70 THR H 1.0 1.8 3.84 493 493 A 10 THR HG2% A 10 THR H 1.0 1.8 4.69 494 494 A 70 THR HG2% A 73 GLN H 1.0 1.8 5.32 495 495 A 70 THR HG2% A 70 THR HA 1.0 1.8 3.86 496 496 A 7 ARG HA A 10 THR HG2% 1.0 1.8 4.44 497 497 A 10 THR HA A 10 THR HG2% 1.0 1.8 3.81 498 498 A 9 ALA HA A 10 THR HG2% 1.0 1.8 6.30 499 499 A 11 ILE HB A 10 THR HG2% 1.0 1.8 4.91 500 500 A 13 ALA HB% A 10 THR HG2% 1.0 1.8 5.18 501 501 A 9 ALA HB% A 10 THR HG2% 1.0 1.8 5.18 502 502 A 47 ILE H A 11 ILE HG2% 1.0 1.8 4.82 503 503 A 12 ILE H A 11 ILE HG2% 1.0 1.8 4.61 504 504 A 11 ILE HG2% A 15 THR H 1.0 1.8 5.26 505 505 A 11 ILE HG2% A 43 ILE H 1.0 1.8 6.33 506 506 A 11 ILE HA A 11 ILE HG2% 1.0 1.8 3.97 507 507 A 43 ILE HA A 11 ILE HG2% 1.0 1.8 4.19 508 508 A 12 ILE HA A 11 ILE HG2% 1.0 1.8 4.99 509 509 A 11 ILE HG1y A 11 ILE HG2% 1.0 1.8 4.05 510 510 A 50 ALA HB% A 11 ILE HG2% 1.0 1.8 4.32 511 511 A 12 ILE H A 12 ILE HG2% 1.0 1.8 4.57 512 512 A 12 ILE HG2% A 13 ALA H 1.0 1.8 4.65 513 513 A 15 THR HG2% A 15 THR H 1.0 1.8 4.63 514 514 A 42 ASP H A 15 THR HG2% 1.0 1.8 5.12 515 515 A 15 THR HG2% A 15 THR HA 1.0 1.8 3.44 516 516 A 15 THR HG2% A 43 ILE HA 1.0 1.8 4.32 517 517 A 12 ILE HA A 15 THR HG2% 1.0 1.8 5.07 518 518 A 15 THR HG2% A 42 ASP HBy 1.0 1.8 4.37 519 519 A 15 THR HG2% A 42 ASP HBx 1.0 1.8 4.37 520 520 A 22 THR HG2% A 21 GLU H 1.0 1.8 5.03 521 521 A 81 ALA H A 80 LEU HDx% 1.0 1.8 5.61 522 522 A 80 LEU HDx% A 83 ARG H 1.0 1.8 6.08 523 523 A 80 LEU HDx% A 80 LEU H 1.0 1.8 4.98 524 524 A 22 THR HG2% A 22 THR H 1.0 1.8 3.88 525 525 A 80 LEU HDx% A 60 TRP HZ2 1.0 1.8 6.33 526 526 A 80 LEU HDx% A 82 ALA H 1.0 1.8 6.33 527 527 A 80 LEU HDx% A 40 PHE HZ 1.0 1.8 4.77 528 528 A 80 LEU HDx% A 60 TRP HZ3 1.0 1.8 4.27 529 529 A 22 THR HG2% A 21 GLU HGy 1.0 1.8 4.27 530 530 A 22 THR HG2% A 19 PRO HGy 1.0 1.8 4.81 531 531 A 22 THR HG2% A 19 PRO HBy 1.0 1.8 3.73 532 532 A 80 LEU HDx% A 80 LEU HBx 1.0 1.8 4.30 533 533 A 80 LEU HDx% A 55 LEU HDx% 1.0 1.8 3.57 534 534 A 23 ILE HG2% A 24 THR H 1.0 1.8 4.42 535 535 A 23 ILE H A 23 ILE HG2% 1.0 1.8 4.60 536 536 A 5 PHE HEx A 23 ILE HG2% 1.0 1.8 4.49 537 537 A 5 PHE HDx A 23 ILE HG2% 1.0 1.8 6.33 538 538 A 5 PHE HDy A 23 ILE HG2% 1.0 1.8 6.33 539 539 A 24 THR HA A 23 ILE HG2% 1.0 1.8 5.32 540 540 A 23 ILE HA A 23 ILE HG2% 1.0 1.8 3.90 541 541 A 9 ALA HA A 23 ILE HG2% 1.0 1.8 4.04 542 542 A 77 LEU HBy A 23 ILE HG2% 1.0 1.8 5.32 543 543 A 23 ILE HG2% A 77 LEU HG 1.0 1.8 5.08 544 544 A 24 THR HG2% A 24 THR H 1.0 1.8 4.29 545 545 A 24 THR HG2% A 27 SER H 1.0 1.8 5.44 546 546 A 24 THR HA A 24 THR HG2% 1.0 1.8 3.78 547 547 A 25 PRO HDx A 24 THR HG2% 1.0 1.8 4.92 548 548 A 25 PRO HDy A 24 THR HG2% 1.0 1.8 4.44 549 549 A 25 PRO HGy A 24 THR HG2% 1.0 1.8 6.33 550 550 A 24 THR HG2% A 23 ILE HG2% 1.0 1.8 4.47 551 551 A 24 THR HG2% A 23 ILE HG1y 1.0 1.8 6.33 552 552 A 30 ILE H A 30 ILE HG2% 1.0 1.8 4.47 553 553 A 30 ILE HG2% A 35 ILE H 1.0 1.8 5.36 554 554 A 30 ILE HA A 30 ILE HG2% 1.0 1.8 3.66 555 555 A 30 ILE HG2% A 34 GLY HAy 1.0 1.8 5.01 556 556 A 30 ILE HD1% A 30 ILE HG2% 1.0 1.8 3.42 557 557 A 35 ILE HG2% A 36 ASP H 1.0 1.8 4.46 558 558 A 40 PHE H A 35 ILE HG2% 1.0 1.8 5.15 559 559 A 37 SER H A 35 ILE HG2% 1.0 1.8 6.00 560 560 A 35 ILE H A 35 ILE HG2% 1.0 1.8 4.85 561 561 A 35 ILE HG2% A 35 ILE HA 1.0 1.8 4.08 562 562 A 35 ILE HG2% A 35 ILE HG1y 1.0 1.8 4.14 563 563 A 35 ILE HG2% A 35 ILE HG1x 1.0 1.8 4.17 564 564 A 43 ILE HG2% A 47 ILE H 1.0 1.8 5.23 565 565 A 43 ILE HG2% A 43 ILE H 1.0 1.8 4.74 566 566 A 40 PHE HDx A 43 ILE HG2% 1.0 1.8 5.21 567 567 A 43 ILE HG2% A 40 PHE HEx 1.0 1.8 5.54 568 568 A 43 ILE HG2% A 40 PHE HZ 1.0 1.8 6.01 569 569 A 40 PHE HA A 43 ILE HG2% 1.0 1.8 5.14 570 570 A 43 ILE HG2% A 44 ALA HA 1.0 1.8 5.03 571 571 A 43 ILE HG2% A 47 ILE HG1x 1.0 1.8 4.63 572 572 A 43 ILE HG2% A 43 ILE HG1y 1.0 1.8 4.47 573 573 A 46 ALA HB% A 43 ILE HG2% 1.0 1.8 4.60 574 574 A 43 ILE HG2% A 44 ALA HB% 1.0 1.8 4.89 575 575 A 47 ILE HD1% A 43 ILE HG2% 1.0 1.8 3.21 576 576 A 50 ALA H A 47 ILE HG2% 1.0 1.8 5.68 577 577 A 47 ILE HG2% A 53 ILE H 1.0 1.8 5.32 578 578 A 48 ASP HA A 47 ILE HG2% 1.0 1.8 4.95 579 579 A 47 ILE HA A 47 ILE HG2% 1.0 1.8 4.01 580 580 A 8 VAL HA A 47 ILE HG2% 1.0 1.8 5.55 581 581 A 84 ILE HA A 47 ILE HG2% 1.0 1.8 5.68 582 582 A 51 PHE HBx A 47 ILE HG2% 1.0 1.8 5.06 583 583 A 51 PHE HBy A 47 ILE HG2% 1.0 1.8 4.69 584 584 A 55 LEU HBy A 47 ILE HG2% 1.0 1.8 4.70 585 585 A 80 LEU HDx% A 47 ILE HG2% 1.0 1.8 4.98 586 586 A 53 ILE HD1% A 47 ILE HG2% 1.0 1.8 3.29 587 587 A 84 ILE HD1% A 47 ILE HG2% 1.0 1.8 3.59 588 588 A 84 ILE HG2% A 47 ILE HG2% 1.0 1.8 4.42 589 589 A 53 ILE HG2% A 87 LEU H 1.0 1.8 5.80 590 590 A 51 PHE HDx A 53 ILE HG2% 1.0 1.8 5.21 591 591 A 53 ILE HG2% A 53 ILE HA 1.0 1.8 3.83 592 592 A 53 ILE HG2% A 87 LEU HA 1.0 1.8 5.15 593 593 A 53 ILE HG2% A 52 GLY HAx 1.0 1.8 5.46 594 594 A 53 ILE HG2% A 51 PHE HBx 1.0 1.8 4.35 595 595 A 53 ILE HG2% A 51 PHE HBy 1.0 1.8 4.67 596 596 A 53 ILE HG2% A 88 VAL HB 1.0 1.8 5.14 597 597 A 53 ILE HG2% A 91 LYS HBx 1.0 1.8 5.19 598 598 A 53 ILE HG2% A 53 ILE HG1y 1.0 1.8 3.90 599 599 A 53 ILE HG2% A 53 ILE HG1x 1.0 1.8 3.89 600 600 A 53 ILE HG2% A 84 ILE HG2% 1.0 1.8 4.82 601 601 A 61 THR HA A 61 THR HG2% 1.0 1.8 3.69 602 602 A 64 VAL HGy% A 75 PHE HEx 1.0 1.8 5.04 603 603 A 71 THR H A 71 THR HG2% 1.0 1.8 4.09 604 604 A 72 GLU H A 71 THR HG2% 1.0 1.8 5.01 605 605 A 71 THR HG2% A 70 THR HA 1.0 1.8 5.08 606 606 A 71 THR HG2% A 71 THR HA 1.0 1.8 4.04 607 607 A 64 VAL HGx% A 71 THR HG2% 1.0 1.8 3.67 608 608 A 64 VAL HGy% A 71 THR HG2% 1.0 1.8 3.99 609 609 A 30 ILE HD1% A 71 THR HG2% 1.0 1.8 4.55 610 610 A 29 ALA H A 76 VAL HGy% 1.0 1.8 5.16 611 611 A 77 LEU H A 76 VAL HGy% 1.0 1.8 4.76 612 612 A 79 ASN HD2y A 76 VAL HGy% 1.0 1.8 4.58 613 613 A 76 VAL HA A 76 VAL HGy% 1.0 1.8 4.01 614 614 A 26 GLU HA A 76 VAL HGy% 1.0 1.8 5.60 615 615 A 72 GLU HA A 76 VAL HGy% 1.0 1.8 3.90 616 616 A 28 HIS HBy A 76 VAL HGy% 1.0 1.8 4.53 617 617 A 76 VAL HGy% A 72 GLU HBx 1.0 1.8 4.43 618 618 A 7 ARG HGy A 51 PHE HEy 1.0 1.8 6.14 619 619 A 18 ILE HA A 19 PRO HGy 1.0 1.8 5.24 620 620 A 21 GLU HGx A 21 GLU H 1.0 1.8 4.77 621 621 A 86 GLU H A 86 GLU HGx 1.0 1.8 5.72 622 622 A 87 LEU H A 86 GLU HGx 1.0 1.8 6.33 623 623 A 21 GLU HGx A 22 THR H 1.0 1.8 5.35 624 624 A 21 GLU HGx A 22 THR HA 1.0 1.8 5.13 625 625 A 21 GLU HGx A 21 GLU HBy 1.0 1.8 3.31 626 626 A 13 ALA HB% A 14 GLU HGx 1.0 1.8 5.21 627 627 A 21 GLU HGx A 22 THR HG2% 1.0 1.8 4.49 628 628 A 81 ALA H A 80 LEU HG 1.0 1.8 5.27 629 629 A 25 PRO HGy A 5 PHE HEy 1.0 1.8 6.33 630 630 A 82 ALA H A 80 LEU HG 1.0 1.8 6.33 631 631 A 38 LEU HG A 37 SER HBy 1.0 1.8 6.33 632 632 A 38 LEU HG A 37 SER HBx 1.0 1.8 6.33 633 633 A 26 GLU HA A 26 GLU HGy 1.0 1.8 4.52 634 634 A 72 GLU HA A 72 GLU HGy 1.0 1.8 4.61 635 635 A 19 PRO HBy A 21 GLU HGy 1.0 1.8 3.30 636 636 A 58 GLU HGx A 57 LEU HBx 1.0 1.8 4.97 637 637 A 21 GLU HA A 21 GLU HGy 1.0 1.8 4.35 638 638 A 62 GLN HGx A 63 GLU H 1.0 1.8 5.23 639 639 A 62 GLN HGx A 62 GLN H 1.0 1.8 5.27 640 640 A 63 GLU HA A 62 GLN HGx 1.0 1.8 5.08 641 641 A 68 LYS HA A 68 LYS HGx 1.0 1.8 4.55 642 642 A 80 LEU HA A 83 ARG HGx 1.0 1.8 6.15 643 643 A 86 GLU H A 86 GLU HGy 1.0 1.8 5.72 644 644 A 86 GLU HA A 86 GLU HGy 1.0 1.8 4.55 645 645 A 7 ARG HA A 7 ARG HGx 1.0 1.8 4.40 646 646 A 7 ARG HGx A 2 THR HG2% 1.0 1.8 4.75 647 647 A 18 ILE HA A 19 PRO HGx 1.0 1.8 5.24 648 648 A 22 THR HG2% A 19 PRO HGx 1.0 1.8 4.81 649 649 A 26 GLU HA A 26 GLU HGx 1.0 1.8 4.52 650 650 A 49 LYS HGx A 49 LYS HA 1.0 1.8 4.54 651 651 A 49 LYS HGx A 48 ASP HBx 1.0 1.8 5.77 652 652 A 63 GLU H A 62 GLN HGy 1.0 1.8 5.23 653 653 A 62 GLN H A 62 GLN HGy 1.0 1.8 5.30 654 654 A 62 GLN HA A 62 GLN HGy 1.0 1.8 4.63 655 655 A 59 LYS HA A 58 GLU HGy 1.0 1.8 4.23 656 656 A 68 LYS H A 68 LYS HGy 1.0 1.8 4.67 657 657 A 72 GLU H A 72 GLU HGx 1.0 1.8 5.37 658 658 A 79 ASN HD2y A 72 GLU HGx 1.0 1.8 6.23 659 659 A 72 GLU HGx A 28 HIS HD2 1.0 1.8 5.46 660 660 A 79 ASN HD2x A 72 GLU HGx 1.0 1.8 5.70 661 661 A 72 GLU HA A 72 GLU HGx 1.0 1.8 4.58 662 662 A 76 VAL HGy% A 72 GLU HGx 1.0 1.8 4.49 663 663 A 91 LYS HA A 91 LYS HGx 1.0 1.8 4.51 664 664 A 47 ILE H A 11 ILE HD1% 1.0 1.8 5.66 665 665 A 12 ILE H A 12 ILE HD1% 1.0 1.8 4.30 666 666 A 8 VAL H A 11 ILE HD1% 1.0 1.8 6.33 667 667 A 30 ILE H A 35 ILE HD1% 1.0 1.8 6.33 668 668 A 35 ILE H A 35 ILE HD1% 1.0 1.8 4.76 669 669 A 51 PHE HDy A 11 ILE HD1% 1.0 1.8 4.99 670 670 A 18 ILE H A 18 ILE HD1% 1.0 1.8 4.85 671 671 A 35 ILE HD1% A 40 PHE HEy 1.0 1.8 5.03 672 672 A 18 ILE HA A 18 ILE HD1% 1.0 1.8 4.73 673 673 A 33 LEU HA A 18 ILE HD1% 1.0 1.8 4.58 674 674 A 35 ILE HA A 35 ILE HD1% 1.0 1.8 4.69 675 675 A 11 ILE HA A 11 ILE HD1% 1.0 1.8 4.16 676 676 A 47 ILE HA A 11 ILE HD1% 1.0 1.8 4.03 677 677 A 9 ALA HA A 12 ILE HD1% 1.0 1.8 4.43 678 678 A 8 VAL HA A 11 ILE HD1% 1.0 1.8 4.46 679 679 A 12 ILE HA A 12 ILE HD1% 1.0 1.8 4.58 680 680 A 18 ILE HD1% A 16 CYS HBy 1.0 1.8 4.34 681 681 A 18 ILE HD1% A 16 CYS HBx 1.0 1.8 4.34 682 682 A 33 LEU HBy A 18 ILE HD1% 1.0 1.8 4.74 683 683 A 33 LEU HBy A 35 ILE HD1% 1.0 1.8 4.78 684 684 A 29 ALA HB% A 35 ILE HD1% 1.0 1.8 3.31 685 685 A 18 ILE HB A 18 ILE HD1% 1.0 1.8 3.76 686 686 A 10 THR HG2% A 11 ILE HD1% 1.0 1.8 3.89 687 687 A 47 ILE HD1% A 47 ILE H 1.0 1.8 4.27 688 688 A 47 ILE HD1% A 44 ALA H 1.0 1.8 5.15 689 689 A 12 ILE H A 23 ILE HD1% 1.0 1.8 5.45 690 690 A 47 ILE HD1% A 43 ILE H 1.0 1.8 6.33 691 691 A 47 ILE HD1% A 45 PHE H 1.0 1.8 6.33 692 692 A 23 ILE HD1% A 22 THR H 1.0 1.8 5.73 693 693 A 23 ILE HD1% A 23 ILE H 1.0 1.8 4.51 694 694 A 23 ILE HD1% A 20 ARG HE 1.0 1.8 5.14 695 695 A 47 ILE HD1% A 51 PHE HEx 1.0 1.8 5.12 696 696 A 47 ILE HD1% A 40 PHE HEx 1.0 1.8 5.61 697 697 A 47 ILE HD1% A 40 PHE HZ 1.0 1.8 6.01 698 698 A 23 ILE HD1% A 23 ILE HA 1.0 1.8 4.32 699 699 A 23 ILE HD1% A 20 ARG HA 1.0 1.8 3.67 700 700 A 9 ALA HA A 23 ILE HD1% 1.0 1.8 4.29 701 701 A 47 ILE HD1% A 8 VAL HA 1.0 1.8 5.52 702 702 A 47 ILE HD1% A 43 ILE HA 1.0 1.8 5.92 703 703 A 23 ILE HD1% A 12 ILE HA 1.0 1.8 6.33 704 704 A 47 ILE HD1% A 12 ILE HA 1.0 1.8 6.33 705 705 A 23 ILE HD1% A 20 ARG HDx 1.0 1.8 5.05 706 706 A 23 ILE HD1% A 77 LEU HBy 1.0 1.8 6.33 707 707 A 23 ILE HD1% A 18 ILE HB 1.0 1.8 4.12 708 708 A 80 LEU HDx% A 47 ILE HD1% 1.0 1.8 4.22 709 709 A 47 ILE HD1% A 80 LEU HDy% 1.0 1.8 3.39 710 710 A 84 ILE HG2% A 47 ILE HD1% 1.0 1.8 5.37 711 711 A 30 ILE H A 30 ILE HD1% 1.0 1.8 4.72 712 712 A 30 ILE HD1% A 75 PHE HDy 1.0 1.8 4.61 713 713 A 30 ILE HD1% A 75 PHE HZ 1.0 1.8 4.83 714 714 A 30 ILE HD1% A 75 PHE HEy 1.0 1.8 5.39 715 715 A 30 ILE HA A 30 ILE HD1% 1.0 1.8 4.45 716 716 A 30 ILE HD1% A 30 ILE HB 1.0 1.8 4.27 717 717 A 53 ILE HD1% A 84 ILE H 1.0 1.8 5.27 718 718 A 43 ILE HD1% A 43 ILE H 1.0 1.8 4.50 719 719 A 53 ILE HD1% A 87 LEU H 1.0 1.8 5.00 720 720 A 53 ILE HD1% A 51 PHE HDy 1.0 1.8 5.70 721 721 A 51 PHE HDx A 53 ILE HD1% 1.0 1.8 5.95 722 722 A 42 ASP H A 43 ILE HD1% 1.0 1.8 6.21 723 723 A 43 ILE HD1% A 40 PHE HDy 1.0 1.8 4.88 724 724 A 53 ILE HD1% A 53 ILE HA 1.0 1.8 4.96 725 725 A 53 ILE HD1% A 55 LEU HA 1.0 1.8 5.01 726 726 A 43 ILE HA A 43 ILE HD1% 1.0 1.8 5.05 727 727 A 88 VAL HA A 53 ILE HD1% 1.0 1.8 5.44 728 728 A 84 ILE HA A 53 ILE HD1% 1.0 1.8 4.13 729 729 A 53 ILE HD1% A 87 LEU HBy 1.0 1.8 4.14 730 730 A 53 ILE HD1% A 84 ILE HG1y 1.0 1.8 4.81 731 731 A 53 ILE HD1% A 55 LEU HBy 1.0 1.8 4.24 732 732 A 88 VAL HGx% A 53 ILE HD1% 1.0 1.8 3.89 733 733 A 88 VAL H A 53 ILE HD1% 1.0 1.8 4.96 734 734 A 40 PHE H A 43 ILE HD1% 1.0 1.8 5.27 735 735 A 53 ILE HD1% A 54 LYS H 1.0 1.8 4.44 736 736 A 53 ILE HD1% A 53 ILE H 1.0 1.8 4.61 737 737 A 43 ILE HD1% A 40 PHE HBy 1.0 1.8 4.81 738 738 A 51 PHE HBx A 53 ILE HD1% 1.0 1.8 5.12 739 739 A 51 PHE HBy A 53 ILE HD1% 1.0 1.8 4.34 740 740 A 53 ILE HD1% A 87 LEU HBx 1.0 1.8 4.14 741 741 A 53 ILE HD1% A 87 LEU HDx% 1.0 1.8 3.23 742 742 A 53 ILE HD1% A 84 ILE HD1% 1.0 1.8 3.94 743 743 A 57 LEU H A 57 LEU HDx% 1.0 1.8 4.68 744 744 A 60 TRP HE3 A 57 LEU HDx% 1.0 1.8 4.75 745 745 A 57 LEU HDx% A 37 SER HA 1.0 1.8 6.07 746 746 A 41 LEU HA A 57 LEU HDx% 1.0 1.8 5.61 747 747 A 57 LEU HA A 57 LEU HDx% 1.0 1.8 4.09 748 748 A 57 LEU HDx% A 40 PHE HBx 1.0 1.8 4.84 749 749 A 57 LEU HBy A 57 LEU HDx% 1.0 1.8 3.97 750 750 A 33 LEU HDx% A 77 LEU H 1.0 1.8 5.54 751 751 A 77 LEU HDx% A 77 LEU H 1.0 1.8 5.81 752 752 A 5 PHE HDx A 77 LEU HDx% 1.0 1.8 4.82 753 753 A 33 LEU HDx% A 33 LEU HA 1.0 1.8 4.70 754 754 A 33 LEU HDx% A 29 ALA HA 1.0 1.8 4.08 755 755 A 9 ALA HA A 77 LEU HDx% 1.0 1.8 4.97 756 756 A 33 LEU HDx% A 33 LEU HBy 1.0 1.8 4.27 757 757 A 23 ILE HG1x A 77 LEU HDx% 1.0 1.8 5.11 758 758 A 33 LEU HDx% A 33 LEU HBx 1.0 1.8 3.98 759 759 A 77 LEU HBx A 77 LEU HDx% 1.0 1.8 3.90 760 760 A 77 LEU HDx% A 23 ILE HG2% 1.0 1.8 3.24 761 761 A 87 LEU H A 87 LEU HDx% 1.0 1.8 4.65 762 762 A 87 LEU HA A 87 LEU HDx% 1.0 1.8 4.72 763 763 A 87 LEU HDx% A 56 PRO HDx 1.0 1.8 4.76 764 764 A 87 LEU HDx% A 55 LEU HG 1.0 1.8 4.80 765 765 A 44 ALA H A 57 LEU HDy% 1.0 1.8 5.49 766 766 A 57 LEU HDy% A 58 GLU H 1.0 1.8 6.26 767 767 A 43 ILE H A 57 LEU HDy% 1.0 1.8 6.33 768 768 A 45 PHE H A 57 LEU HDy% 1.0 1.8 6.33 769 769 A 60 TRP H A 55 LEU HDy% 1.0 1.8 6.33 770 770 A 41 LEU H A 57 LEU HDy% 1.0 1.8 5.51 771 771 A 57 LEU H A 55 LEU HDy% 1.0 1.8 4.54 772 772 A 55 LEU HDy% A 40 PHE HEx 1.0 1.8 4.80 773 773 A 60 TRP HE3 A 55 LEU HDy% 1.0 1.8 4.52 774 774 A 55 LEU HDy% A 60 TRP HZ3 1.0 1.8 4.61 775 775 A 56 PRO HA A 55 LEU HDy% 1.0 1.8 4.95 776 776 A 41 LEU HA A 57 LEU HDy% 1.0 1.8 4.65 777 777 A 55 LEU HDy% A 55 LEU HA 1.0 1.8 3.75 778 778 A 57 LEU HA A 55 LEU HDy% 1.0 1.8 3.91 779 779 A 55 LEU HDy% A 56 PRO HDx 1.0 1.8 4.98 780 780 A 55 LEU HDy% A 56 PRO HGy 1.0 1.8 4.72 781 781 A 44 ALA HB% A 57 LEU HDy% 1.0 1.8 3.55 782 782 A 57 LEU HDy% A 57 LEU HBx 1.0 1.8 3.53 783 783 A 80 LEU HDx% A 55 LEU HDy% 1.0 1.8 3.97 784 784 A 41 LEU HDy% A 57 LEU HDy% 1.0 1.8 3.14 785 785 A 29 ALA H A 77 LEU HDy% 1.0 1.8 5.07 786 786 A 77 LEU H A 77 LEU HDy% 1.0 1.8 4.35 787 787 A 33 LEU HDy% A 24 THR H 1.0 1.8 4.92 788 788 A 5 PHE HDx A 77 LEU HDy% 1.0 1.8 6.15 789 789 A 77 LEU HDy% A 40 PHE HEy 1.0 1.8 6.33 790 790 A 76 VAL HA A 77 LEU HDy% 1.0 1.8 4.73 791 791 A 33 LEU HDy% A 27 SER HA 1.0 1.8 5.64 792 792 A 33 LEU HDy% A 27 SER HBy 1.0 1.8 4.50 793 793 A 33 LEU HDy% A 27 SER HBx 1.0 1.8 4.50 794 794 A 33 LEU HDy% A 32 ASP HBx 1.0 1.8 4.92 795 795 A 33 LEU HDy% A 33 LEU HBy 1.0 1.8 4.19 796 796 A 77 LEU HDy% A 12 ILE HG1y 1.0 1.8 5.77 797 797 A 80 LEU HBx A 77 LEU HDy% 1.0 1.8 5.50 798 798 A 29 ALA HB% A 77 LEU HDy% 1.0 1.8 4.35 799 799 A 88 VAL H A 87 LEU HDy% 1.0 1.8 5.50 800 800 A 87 LEU H A 87 LEU HDy% 1.0 1.8 4.22 801 801 A 87 LEU HDy% A 54 LYS H 1.0 1.8 4.98 802 802 A 87 LEU HDy% A 60 TRP HZ2 1.0 1.8 5.43 803 803 A 87 LEU HA A 87 LEU HDy% 1.0 1.8 3.34 804 804 A 87 LEU HDy% A 55 LEU HA 1.0 1.8 4.89 805 805 A 84 ILE HA A 87 LEU HDy% 1.0 1.8 5.47 806 806 A 87 LEU HDy% A 87 LEU HBx 1.0 1.8 3.73 807 807 A 53 ILE HG2% A 87 LEU HDy% 1.0 1.8 5.20 808 808 A 53 ILE HD1% A 87 LEU HDy% 1.0 1.8 5.43 809 809 A 7 ARG H A 7 ARG HDy 1.0 1.8 5.54 810 810 A 83 ARG HDx A 60 TRP HZ2 1.0 1.8 6.03 811 811 A 60 TRP HH2 A 83 ARG HDx 1.0 1.8 6.33 812 812 A 83 ARG HDx A 74 TYR HDx 1.0 1.8 5.99 813 813 A 7 ARG HA A 7 ARG HDy 1.0 1.8 4.81 814 814 A 18 ILE HA A 19 PRO HDy 1.0 1.8 4.01 815 815 A 20 ARG HA A 20 ARG HDy 1.0 1.8 4.69 816 816 A 23 ILE HD1% A 20 ARG HDy 1.0 1.8 5.05 817 817 A 25 PRO HDx A 24 THR HB 1.0 1.8 4.26 818 818 A 25 PRO HDx A 23 ILE HG2% 1.0 1.8 4.73 819 819 A 46 ALA HA A 49 LYS HDy 1.0 1.8 6.33 820 820 A 46 ALA HA A 49 LYS HDx 1.0 1.8 6.33 821 821 A 49 LYS HA A 49 LYS HDy 1.0 1.8 6.23 822 822 A 49 LYS HA A 49 LYS HDx 1.0 1.8 6.23 823 823 A 59 LYS HA A 59 LYS HDx 1.0 1.8 6.23 824 824 A 59 LYS HA A 59 LYS HDy 1.0 1.8 6.23 825 825 A 78 LYS HA A 78 LYS HDy 1.0 1.8 5.53 826 826 A 7 ARG H A 7 ARG HDx 1.0 1.8 5.54 827 827 A 60 TRP HZ2 A 83 ARG HDy 1.0 1.8 6.33 828 828 A 7 ARG HA A 7 ARG HDx 1.0 1.8 4.81 829 829 A 18 ILE HA A 19 PRO HDx 1.0 1.8 4.01 830 830 A 25 PRO HDy A 5 PHE HEy 1.0 1.8 5.54 831 831 A 25 PRO HDy A 24 THR HB 1.0 1.8 4.42 832 832 A 78 LYS HDx A 78 LYS H 1.0 1.8 5.57 833 833 A 26 GLU HA A 78 LYS HDx 1.0 1.8 5.39 834 834 A 68 LYS HA A 68 LYS HEx 1.0 1.8 6.33 835 835 A 68 LYS HA A 68 LYS HEy 1.0 1.8 6.33 836 836 A 68 LYS HBx A 68 LYS HEx 1.0 1.8 6.33 837 837 A 68 LYS HBx A 68 LYS HEy 1.0 1.8 6.33 838 838 A 68 LYS HGx A 68 LYS HEx 1.0 1.8 4.78 839 839 A 68 LYS HGx A 68 LYS HEy 1.0 1.8 4.78 840 840 A 26 GLU HA A 78 LYS HEy 1.0 1.8 5.45 841 841 A 49 LYS HGy A 49 LYS HEx 1.0 1.8 4.66 842 842 A 76 VAL HGx% A 78 LYS HEy 1.0 1.8 4.70 843 843 A 4 THR H A 3 SER HBy 1.0 1.8 5.26 844 844 A 5 PHE HA A 9 ALA H 1.0 1.8 5.30 845 845 A 5 PHE HEx A 5 PHE HA 1.0 1.8 5.85 846 846 A 8 VAL HB A 5 PHE HA 1.0 1.8 4.61 847 847 A 4 THR HG2% A 5 PHE HA 1.0 1.8 5.44 848 848 A 9 ALA HB% A 5 PHE HA 1.0 1.8 5.08 849 849 A 81 ALA HB% A 4 THR HA 1.0 1.8 5.29 850 850 A 82 ALA H A 4 THR HB 1.0 1.8 6.33 851 851 A 87 LEU HDx% A 55 LEU HA 1.0 1.8 4.30 852 852 A 47 ILE H A 55 LEU HDx% 1.0 1.8 5.89 853 853 A 55 LEU HDx% A 48 ASP H 1.0 1.8 6.23 854 854 A 55 LEU HDx% A 60 TRP HZ3 1.0 1.8 5.07 855 855 A 44 ALA HA A 55 LEU HDx% 1.0 1.8 4.16 856 856 A 55 LEU HDx% A 56 PRO HDx 1.0 1.8 6.04 857 857 A 47 ILE HB A 55 LEU HDx% 1.0 1.8 4.73 858 858 A 84 ILE HD1% A 55 LEU HDx% 1.0 1.8 5.09 859 859 A 84 ILE HG2% A 55 LEU HDx% 1.0 1.8 5.45 860 860 A 55 LEU HA A 56 PRO HGy 1.0 1.8 5.38 861 861 A 4 THR HG2% A 5 PHE H 1.0 1.8 5.13 862 862 A 4 THR HG2% A 4 THR H 1.0 1.8 5.11 863 863 A 4 THR HG2% A 81 ALA H 1.0 1.8 6.01 864 864 A 85 ASP H A 4 THR HG2% 1.0 1.8 4.37 865 865 A 4 THR HG2% A 7 ARG H 1.0 1.8 6.08 866 866 A 4 THR HG2% A 86 GLU H 1.0 1.8 6.33 867 867 A 51 PHE HDx A 4 THR HG2% 1.0 1.8 5.39 868 868 A 4 THR HG2% A 4 THR HA 1.0 1.8 3.91 869 869 A 81 ALA HA A 4 THR HG2% 1.0 1.8 3.88 870 870 A 4 THR HG2% A 7 ARG HBy 1.0 1.8 4.93 871 871 A 4 THR HG2% A 84 ILE HB 1.0 1.8 4.13 872 872 A 4 THR HG2% A 7 ARG HGx 1.0 1.8 5.24 873 873 A 4 THR HG2% A 8 VAL HGy% 1.0 1.8 3.54 874 874 A 49 LYS HGy A 49 LYS HEy 1.0 1.8 4.66 875 875 A 33 LEU HDy% A 33 LEU H 1.0 1.8 4.35 876 876 A 33 LEU HDy% A 33 LEU HA 1.0 1.8 3.47 877 877 A 33 LEU HDy% A 32 ASP HBy 1.0 1.8 4.93 878 878 A 38 LEU HBy A 37 SER H 1.0 1.8 5.89 879 879 A 38 LEU HA A 37 SER H 1.0 1.8 6.24 880 880 A 41 LEU H A 38 LEU HA 1.0 1.8 5.15 881 881 A 38 LEU HA A 41 LEU HG 1.0 1.8 4.90 882 882 A 38 LEU HA A 38 LEU HG 1.0 1.8 4.84 883 883 A 2 THR HG2% A 2 THR HA 1.0 1.8 4.20 884 884 A 2 THR HG2% A 6 ASP HBy 1.0 1.8 4.76 885 885 A 2 THR HG2% A 6 ASP HBx 1.0 1.8 4.76 886 886 A 7 ARG HGy A 2 THR HG2% 1.0 1.8 5.18 887 887 A 60 TRP HE1 A 59 LYS HEx 1.0 1.8 6.33 888 888 A 60 TRP HE1 A 59 LYS HEy 1.0 1.8 6.33 889 889 A 84 ILE HG2% A 51 PHE HZ 1.0 1.8 5.30 890 890 A 55 LEU HBx A 55 LEU HDy% 1.0 1.8 3.32 891 891 A 54 LYS HA A 54 LYS HGx 1.0 1.8 4.53 892 892 A 55 LEU HBy A 55 LEU HDy% 1.0 1.8 3.71 893 893 A 43 ILE HG2% A 11 ILE HG2% 1.0 1.8 3.71 894 894 A 40 PHE HBy A 35 ILE HG2% 1.0 1.8 4.27 895 895 A 88 VAL HGy% A 86 GLU H 1.0 1.8 5.53 896 896 A 88 VAL HGy% A 87 LEU H 1.0 1.8 5.88 897 897 A 88 VAL HGy% A 53 ILE HD1% 1.0 1.8 4.85 898 898 A 55 LEU HDx% A 47 ILE HG2% 1.0 1.8 3.70 899 899 A 55 LEU HBx A 55 LEU HDx% 1.0 1.8 3.92 900 900 A 55 LEU HBy A 55 LEU HDx% 1.0 1.8 3.80 901 901 A 55 LEU HDx% A 55 LEU H 1.0 1.8 5.31 902 902 A 33 LEU HDx% A 35 ILE HD1% 1.0 1.8 3.19 903 903 A 23 ILE HA A 77 LEU HDx% 1.0 1.8 4.23 904 904 A 33 LEU HDx% A 32 ASP H 1.0 1.8 5.82 905 905 A 5 PHE HEx A 77 LEU HDy% 1.0 1.8 4.69 906 906 A 77 LEU HA A 77 LEU HDy% 1.0 1.8 3.55 907 907 A 33 LEU HDy% A 29 ALA HA 1.0 1.8 4.92 908 908 A 29 ALA HA A 77 LEU HDy% 1.0 1.8 5.32 909 909 A 77 LEU HBy A 77 LEU HDy% 1.0 1.8 4.20 910 910 A 33 LEU HDy% A 33 LEU HBx 1.0 1.8 3.93 911 911 A 77 LEU HBx A 77 LEU HDy% 1.0 1.8 4.22 912 912 A 40 PHE HDx A 80 LEU HDy% 1.0 1.8 6.33 913 913 A 80 LEU HDy% A 40 PHE HDy 1.0 1.8 6.33 914 914 A 49 LYS HGy A 49 LYS HA 1.0 1.8 4.19 915 915 A 59 LYS HA A 62 GLN H 1.0 1.8 4.68 916 916 A 90 ALA H A 86 GLU HA 1.0 1.8 4.91 917 917 A 89 ALA H A 86 GLU HA 1.0 1.8 4.85 918 918 A 61 THR HG2% A 65 ASN H 1.0 1.8 5.07 919 919 A 64 VAL H A 64 VAL HGx% 1.0 1.8 4.45 920 920 A 80 LEU HDy% A 8 VAL HGx% 1.0 1.8 3.44 921 921 A 80 LEU HDy% A 12 ILE HD1% 1.0 1.8 4.01 922 922 A 59 LYS H A 58 GLU HGy 1.0 1.8 5.34 923 923 A 79 ASN HD2y A 72 GLU HGy 1.0 1.8 5.49 924 924 A 84 ILE HD1% A 80 LEU HG 1.0 1.8 3.88 925 925 A 11 ILE HB A 11 ILE HD1% 1.0 1.8 3.96 926 926 A 47 ILE HG1x A 11 ILE HG2% 1.0 1.8 4.21 927 927 A 12 ILE HB A 12 ILE HD1% 1.0 1.8 3.60 928 928 A 12 ILE HD1% A 80 LEU HBy 1.0 1.8 5.04 929 929 A 12 ILE HD1% A 77 LEU HG 1.0 1.8 5.34 930 930 A 21 GLU HGx A 19 PRO HBy 1.0 1.8 4.59 931 931 A 22 THR HG2% A 22 THR HA 1.0 1.8 3.48 932 932 A 23 ILE HD1% A 23 ILE HB 1.0 1.8 3.68 933 933 A 23 ILE HG1x A 23 ILE HG2% 1.0 1.8 4.21 934 934 A 33 LEU HBx A 35 ILE HG1y 1.0 1.8 3.17 935 935 A 33 LEU HBx A 35 ILE HG1x 1.0 1.8 5.05 936 936 A 33 LEU HBy A 35 ILE HG1y 1.0 1.8 4.67 937 937 A 33 LEU HBy A 35 ILE HG1x 1.0 1.8 5.39 938 938 A 29 ALA HB% A 35 ILE HG1x 1.0 1.8 5.20 939 939 A 38 LEU HDx% A 36 ASP HBy 1.0 1.8 5.95 940 940 A 38 LEU HDy% A 36 ASP HBx 1.0 1.8 6.33 941 941 A 38 LEU HDx% A 36 ASP HBx 1.0 1.8 5.95 942 942 A 40 PHE HA A 43 ILE HD1% 1.0 1.8 4.06 943 943 A 47 ILE HD1% A 47 ILE HB 1.0 1.8 3.78 944 944 A 47 ILE HG1x A 47 ILE HG2% 1.0 1.8 4.14 945 945 A 53 ILE HD1% A 53 ILE HB 1.0 1.8 3.70 946 946 A 61 THR HA A 64 VAL HGx% 1.0 1.8 5.37 947 947 A 64 VAL HGy% A 64 VAL HA 1.0 1.8 3.75 948 948 A 64 VAL HGy% A 71 THR HA 1.0 1.8 4.22 949 949 A 76 VAL HGx% A 72 GLU HGx 1.0 1.8 5.14 950 950 A 76 VAL HGy% A 72 GLU HGy 1.0 1.8 4.20 951 951 A 77 LEU HBy A 77 LEU HDx% 1.0 1.8 4.45 952 952 A 78 LYS HDx A 78 LYS HBy 1.0 1.8 4.84 953 953 A 8 VAL HGy% A 51 PHE HZ 1.0 1.8 4.44 954 954 A 81 ALA HA A 8 VAL HGx% 1.0 1.8 5.36 955 955 A 81 ALA HB% A 4 THR HB 1.0 1.8 4.83 956 956 A 5 PHE HA A 81 ALA HB% 1.0 1.8 3.78 957 957 A 12 ILE HA A 43 ILE HG2% 1.0 1.8 4.77 958 958 A 35 ILE HB A 35 ILE HD1% 1.0 1.8 3.60 959 959 A 44 ALA HA A 55 LEU HBx 1.0 1.8 4.76 960 960 A 44 ALA HB% A 55 LEU HBx 1.0 1.8 4.42 961 961 A 76 VAL HGx% A 28 HIS HA 1.0 1.8 5.18 962 962 A 64 VAL HGx% A 70 THR HA 1.0 1.8 5.54 963 963 A 64 VAL HGy% A 70 THR HA 1.0 1.8 4.57 964 964 A 87 LEU HA A 90 ALA HB% 1.0 1.8 3.13 965 965 A 41 LEU HDy% A 41 LEU HBy 1.0 1.8 4.05 966 966 A 87 LEU HDy% A 87 LEU HBy 1.0 1.8 3.73 967 967 A 74 TYR HBx A 75 PHE HDx 1.0 1.8 4.88 968 968 A 45 PHE H A 45 PHE HDy 1.0 1.8 4.81 969 969 A 30 ILE H A 28 HIS HE1 1.0 1.8 4.13 970 970 A 60 TRP HA A 60 TRP HD1 1.0 1.8 3.97 971 971 A 59 LYS HBx A 60 TRP HD1 1.0 1.8 5.09 972 972 A 75 PHE HDx A 75 PHE HA 1.0 1.8 4.46 973 973 A 51 PHE HDy A 51 PHE HA 1.0 1.8 4.59 974 974 A 51 PHE HDx A 51 PHE HA 1.0 1.8 4.89 975 975 A 51 PHE HDx A 51 PHE HBx 1.0 1.8 3.71 976 976 A 51 PHE HBy A 51 PHE HDy 1.0 1.8 3.54 977 977 A 84 ILE HD1% A 51 PHE HDy 1.0 1.8 5.43 978 978 A 51 PHE HDx A 84 ILE HD1% 1.0 1.8 5.91 979 979 A 84 ILE HD1% A 51 PHE HEx 1.0 1.8 4.95 980 980 A 84 ILE HD1% A 51 PHE HEy 1.0 1.8 5.36 981 981 A 84 ILE HG2% A 51 PHE HEy 1.0 1.8 4.40 982 982 A 76 VAL HGy% A 28 HIS HD2 1.0 1.8 3.35 983 983 A 40 PHE HA A 40 PHE HDy 1.0 1.8 3.97 984 984 A 25 PRO HA A 5 PHE HEx 1.0 1.8 4.32 985 985 A 74 TYR HDx A 83 ARG HE 1.0 1.8 4.95 986 986 A 60 TRP HZ2 A 74 TYR HDx 1.0 1.8 5.44 987 987 A 60 TRP HE3 A 74 TYR HDx 1.0 1.8 5.03 988 988 A 60 TRP HH2 A 74 TYR HDx 1.0 1.8 5.42 989 989 A 74 TYR HDy A 74 TYR H 1.0 1.8 4.81 990 990 A 74 TYR HDx A 74 TYR HA 1.0 1.8 3.69 991 991 A 74 TYR HDx A 83 ARG HDy 1.0 1.8 4.84 992 992 A 74 TYR HDx A 83 ARG HGy 1.0 1.8 4.84 993 993 A 74 TYR HDy A 74 TYR HBy 1.0 1.8 4.11 994 994 A 74 TYR HDx A 74 TYR HBx 1.0 1.8 3.74 995 995 A 64 VAL HGy% A 74 TYR HDy 1.0 1.8 3.93 996 996 A 60 TRP HE1 A 74 TYR HEx 1.0 1.8 5.50 997 997 A 83 ARG HDy A 74 TYR HEx 1.0 1.8 5.39 998 998 A 74 TYR HEy A 63 GLU HBy 1.0 1.8 5.37 999 999 A 69 ALA HB% A 74 TYR HEy 1.0 1.8 3.78 1000 1000 A 64 VAL HGy% A 74 TYR HEy 1.0 1.8 4.61 1001 1001 A 60 TRP HZ2 A 83 ARG HBy 1.0 1.8 4.93 1002 1002 A 60 TRP HZ2 A 83 ARG HBx 1.0 1.8 4.93 1003 1003 A 87 LEU HDx% A 60 TRP HZ2 1.0 1.8 4.28 1004 1004 A 55 LEU HDy% A 60 TRP HZ2 1.0 1.8 5.08 1005 1005 A 60 TRP HD1 A 61 THR H 1.0 1.8 5.66 1006 1006 A 60 TRP H A 60 TRP HD1 1.0 1.8 4.76 1007 1007 A 60 TRP HD1 A 59 LYS HEx 1.0 1.8 6.33 1008 1008 A 60 TRP HD1 A 59 LYS HEy 1.0 1.8 6.33 1009 1009 A 60 TRP HD1 A 56 PRO HGx 1.0 1.8 6.19 1010 1010 A 60 TRP HH2 A 83 ARG H 1.0 1.8 6.08 1011 1011 A 60 TRP HH2 A 83 ARG HBy 1.0 1.8 4.47 1012 1012 A 60 TRP HH2 A 83 ARG HBx 1.0 1.8 4.47 1013 1013 A 60 TRP HH2 A 55 LEU HBy 1.0 1.8 6.33 1014 1014 A 60 TRP HH2 A 83 ARG HGx 1.0 1.8 5.34 1015 1015 A 80 LEU HDx% A 60 TRP HH2 1.0 1.8 3.84 1016 1016 A 60 TRP HH2 A 55 LEU HDx% 1.0 1.8 3.91 1017 1017 A 60 TRP HH2 A 55 LEU HDy% 1.0 1.8 3.88 1018 1018 A 75 PHE HDy A 28 HIS HE1 1.0 1.8 4.63 1019 1019 A 71 THR HB A 28 HIS HE1 1.0 1.8 5.05 1020 1020 A 30 ILE HA A 28 HIS HE1 1.0 1.8 6.10 1021 1021 A 28 HIS HE1 A 75 PHE HBy 1.0 1.8 5.01 1022 1022 A 28 HIS HE1 A 75 PHE HBx 1.0 1.8 5.01 1023 1023 A 30 ILE HB A 28 HIS HE1 1.0 1.8 3.44 1024 1024 A 29 ALA HB% A 28 HIS HE1 1.0 1.8 5.36 1025 1025 A 28 HIS HE1 A 30 ILE HG1y 1.0 1.8 4.65 1026 1026 A 28 HIS HE1 A 30 ILE HG1x 1.0 1.8 4.65 1027 1027 A 30 ILE HG2% A 28 HIS HE1 1.0 1.8 4.47 1028 1028 A 30 ILE HD1% A 28 HIS HE1 1.0 1.8 3.91 1029 1029 A 40 PHE HDx A 44 ALA H 1.0 1.8 5.32 1030 1030 A 40 PHE H A 40 PHE HDx 1.0 1.8 6.08 1031 1031 A 40 PHE H A 40 PHE HDy 1.0 1.8 6.33 1032 1032 A 40 PHE HDx A 43 ILE H 1.0 1.8 5.47 1033 1033 A 75 PHE H A 75 PHE HDx 1.0 1.8 5.22 1034 1034 A 71 THR HB A 75 PHE HDx 1.0 1.8 5.09 1035 1035 A 40 PHE HDx A 40 PHE HBx 1.0 1.8 3.85 1036 1036 A 29 ALA HB% A 75 PHE HDy 1.0 1.8 3.94 1037 1037 A 40 PHE HDx A 57 LEU HDx% 1.0 1.8 3.61 1038 1038 A 35 ILE HG2% A 40 PHE HDy 1.0 1.8 3.70 1039 1039 A 40 PHE HDx A 57 LEU HDy% 1.0 1.8 4.00 1040 1040 A 30 ILE HG2% A 75 PHE HEy 1.0 1.8 5.72 1041 1041 A 5 PHE HZ A 24 THR H 1.0 1.8 5.16 1042 1042 A 24 THR HA A 5 PHE HZ 1.0 1.8 3.86 1043 1043 A 5 PHE HZ A 24 THR HB 1.0 1.8 6.05 1044 1044 A 25 PRO HA A 5 PHE HZ 1.0 1.8 4.67 1045 1045 A 25 PRO HDx A 5 PHE HZ 1.0 1.8 4.82 1046 1046 A 25 PRO HDy A 5 PHE HZ 1.0 1.8 4.42 1047 1047 A 77 LEU HBy A 5 PHE HZ 1.0 1.8 5.34 1048 1048 A 23 ILE HB A 5 PHE HZ 1.0 1.8 5.92 1049 1049 A 77 LEU HBx A 5 PHE HZ 1.0 1.8 5.06 1050 1050 A 77 LEU HDx% A 5 PHE HZ 1.0 1.8 4.29 1051 1051 A 5 PHE HZ A 23 ILE HG2% 1.0 1.8 3.61 1052 1052 A 25 PRO HGx A 5 PHE HZ 1.0 1.8 5.28 1053 1053 A 47 ILE H A 51 PHE HDy 1.0 1.8 6.33 1054 1054 A 51 PHE HDy A 48 ASP H 1.0 1.8 6.33 1055 1055 A 51 PHE H A 51 PHE HDy 1.0 1.8 3.69 1056 1056 A 50 ALA H A 51 PHE HDy 1.0 1.8 4.52 1057 1057 A 47 ILE HA A 51 PHE HDy 1.0 1.8 3.70 1058 1058 A 47 ILE HB A 51 PHE HDy 1.0 1.8 5.46 1059 1059 A 53 ILE HG1y A 51 PHE HDy 1.0 1.8 5.69 1060 1060 A 51 PHE HDx A 53 ILE HG1y 1.0 1.8 6.22 1061 1061 A 51 PHE HDy A 50 ALA HB% 1.0 1.8 3.28 1062 1062 A 51 PHE HDx A 88 VAL HGx% 1.0 1.8 3.57 1063 1063 A 51 PHE HDy A 47 ILE HG2% 1.0 1.8 3.17 1064 1064 A 51 PHE HDx A 84 ILE HG2% 1.0 1.8 3.96 1065 1065 A 8 VAL H A 51 PHE HEx 1.0 1.8 6.19 1066 1066 A 8 VAL H A 51 PHE HEy 1.0 1.8 6.33 1067 1067 A 4 THR HA A 51 PHE HEy 1.0 1.8 5.34 1068 1068 A 47 ILE HA A 51 PHE HEx 1.0 1.8 4.62 1069 1069 A 51 PHE HBy A 51 PHE HEx 1.0 1.8 5.66 1070 1070 A 51 PHE HEy A 7 ARG HBy 1.0 1.8 4.45 1071 1071 A 7 ARG HBx A 51 PHE HEx 1.0 1.8 5.26 1072 1072 A 7 ARG HBx A 51 PHE HEy 1.0 1.8 5.42 1073 1073 A 51 PHE HEy A 7 ARG HGx 1.0 1.8 5.16 1074 1074 A 4 THR HG2% A 51 PHE HEy 1.0 1.8 3.88 1075 1075 A 8 VAL HGy% A 51 PHE HEx 1.0 1.8 3.99 1076 1076 A 47 ILE HG2% A 51 PHE HEx 1.0 1.8 4.16 1077 1077 A 11 ILE HD1% A 51 PHE HEx 1.0 1.8 3.90 1078 1078 A 7 ARG HGx A 51 PHE HZ 1.0 1.8 5.20 1079 1079 A 40 PHE HA A 40 PHE HEx 1.0 1.8 6.33 1080 1080 A 40 PHE HA A 40 PHE HEy 1.0 1.8 6.33 1081 1081 A 29 ALA HB% A 40 PHE HEy 1.0 1.8 4.37 1082 1082 A 80 LEU HDy% A 40 PHE HEx 1.0 1.8 4.98 1083 1083 A 80 LEU HDy% A 40 PHE HEy 1.0 1.8 5.21 1084 1084 A 57 LEU HDx% A 40 PHE HEx 1.0 1.8 3.77 1085 1085 A 43 ILE HD1% A 40 PHE HEy 1.0 1.8 4.20 1086 1086 A 57 LEU HDy% A 40 PHE HEx 1.0 1.8 4.53 1087 1087 A 40 PHE HZ A 80 LEU HBy 1.0 1.8 4.83 1088 1088 A 80 LEU HDy% A 40 PHE HZ 1.0 1.8 4.29 1089 1089 A 43 ILE HD1% A 40 PHE HZ 1.0 1.8 4.78 1090 1090 A 31 ASP H A 28 HIS HD2 1.0 1.8 6.20 1091 1091 A 76 VAL HA A 28 HIS HD2 1.0 1.8 4.13 1092 1092 A 72 GLU HA A 28 HIS HD2 1.0 1.8 4.29 1093 1093 A 28 HIS HBy A 28 HIS HD2 1.0 1.8 3.74 1094 1094 A 72 GLU HGy A 28 HIS HD2 1.0 1.8 4.07 1095 1095 A 72 GLU HBy A 28 HIS HD2 1.0 1.8 5.93 1096 1096 A 45 PHE HA A 45 PHE HDy 1.0 1.8 4.12 1097 1097 A 46 ALA HA A 45 PHE HDx 1.0 1.8 5.21 1098 1098 A 45 PHE HBx A 45 PHE HDx 1.0 1.8 3.89 1099 1099 A 48 ASP HBy A 45 PHE HDy 1.0 1.8 5.57 1100 1100 A 45 PHE HDx A 49 LYS HDy 1.0 1.8 5.29 1101 1101 A 45 PHE HDx A 49 LYS HDx 1.0 1.8 5.29 1102 1102 A 49 LYS HGx A 45 PHE HDx 1.0 1.8 5.34 1103 1103 A 5 PHE HDx A 78 LYS HA 1.0 1.8 5.22 1104 1104 A 5 PHE HDx A 5 PHE HA 1.0 1.8 4.15 1105 1105 A 5 PHE HDy A 5 PHE HBx 1.0 1.8 4.23 1106 1106 A 5 PHE HDx A 8 VAL HB 1.0 1.8 5.40 1107 1107 A 5 PHE HDx A 81 ALA HB% 1.0 1.8 4.72 1108 1108 A 24 THR HA A 5 PHE HEy 1.0 1.8 5.19 1109 1109 A 5 PHE HEx A 77 LEU HBy 1.0 1.8 4.63 1110 1110 A 60 TRP HH2 A 87 LEU HDx% 1.0 1.8 4.65 1111 1111 A 60 TRP HZ2 A 56 PRO HGy 1.0 1.8 5.57 1112 1112 A 74 TYR HEy A 63 GLU HBx 1.0 1.8 5.37 1113 1113 A 74 TYR HA A 74 TYR HEx 1.0 1.8 5.53 1114 1114 A 72 GLU HBx A 28 HIS HD2 1.0 1.8 4.58 1115 1115 A 60 TRP HH2 A 83 ARG HGy 1.0 1.8 5.34 1116 1116 A 50 ALA HB% A 51 PHE HEx 1.0 1.8 3.94 1117 1117 A 74 TYR HDx A 83 ARG HGx 1.0 1.8 4.84 1118 1118 A 24 THR HG2% A 5 PHE HZ 1.0 1.8 5.66 1119 1119 A 5 PHE HDx A 9 ALA H 1.0 1.8 5.53 1120 1120 A 5 PHE HDx A 9 ALA HB% 1.0 1.8 4.85 1121 1121 A 5 PHE HEx A 9 ALA HB% 1.0 1.8 4.40 1122 1122 A 5 PHE HEx A 77 LEU HDx% 1.0 1.8 4.14 1123 1123 A 7 ARG HBy A 51 PHE HZ 1.0 1.8 4.88 1124 1124 A 7 ARG HBx A 51 PHE HZ 1.0 1.8 4.83 1125 1125 A 75 PHE HDx A 74 TYR HBy 1.0 1.8 4.76 1126 1126 A 71 THR HG2% A 75 PHE HDx 1.0 1.8 4.57 1127 1127 A 75 PHE HDy A 30 ILE HB 1.0 1.8 5.61 1128 1128 A 59 LYS HBx A 60 TRP HE1 1.0 1.8 5.22 1129 1129 A 60 TRP HE1 A 56 PRO HGx 1.0 1.8 4.69 1130 1130 A 62 GLN HA A 62 GLN HE2y 1.0 1.8 5.42 1131 1131 A 62 GLN HBy A 62 GLN HE2y 1.0 1.8 5.51 1132 1132 A 62 GLN HA A 65 ASN HD2x 1.0 1.8 5.11 1133 1133 A 65 ASN HBx A 65 ASN HD2x 1.0 1.8 4.44 1134 1134 A 61 THR HG2% A 65 ASN HD2x 1.0 1.8 4.38 1135 1135 A 69 ALA HB% A 73 GLN HE2y 1.0 1.8 4.69 1136 1136 A 62 GLN HA A 65 ASN HD2y 1.0 1.8 5.11 1137 1137 A 61 THR HG2% A 65 ASN HD2y 1.0 1.8 4.38 1138 1138 A 69 ALA HB% A 73 GLN HE2x 1.0 1.8 4.69 1139 1139 A 77 LEU H A 78 LYS H 1.0 1.8 4.92 1140 1140 A 79 ASN H A 78 LYS H 1.0 1.8 4.34 1141 1141 A 25 PRO HA A 78 LYS H 1.0 1.8 4.74 1142 1142 A 77 LEU HBy A 78 LYS H 1.0 1.8 4.84 1143 1143 A 77 LEU HBx A 78 LYS H 1.0 1.8 4.04 1144 1144 A 78 LYS HDy A 78 LYS H 1.0 1.8 5.93 1145 1145 A 81 ALA HB% A 78 LYS H 1.0 1.8 6.33 1146 1146 A 76 VAL HGx% A 78 LYS H 1.0 1.8 3.78 1147 1147 A 57 LEU H A 58 GLU H 1.0 1.8 4.19 1148 1148 A 58 GLU HGx A 58 GLU H 1.0 1.8 4.54 1149 1149 A 58 GLU HBy A 58 GLU H 1.0 1.8 3.81 1150 1150 A 57 LEU HBx A 58 GLU H 1.0 1.8 4.51 1151 1151 A 57 LEU HBy A 58 GLU H 1.0 1.8 4.93 1152 1152 A 81 ALA H A 80 LEU H 1.0 1.8 4.13 1153 1153 A 81 ALA H A 78 LYS HA 1.0 1.8 4.65 1154 1154 A 81 ALA H A 80 LEU HBx 1.0 1.8 3.99 1155 1155 A 81 ALA H A 82 ALA HB% 1.0 1.8 5.13 1156 1156 A 81 ALA H A 81 ALA HB% 1.0 1.8 3.44 1157 1157 A 8 VAL HGy% A 81 ALA H 1.0 1.8 4.77 1158 1158 A 82 ALA H A 83 ARG H 1.0 1.8 4.21 1159 1159 A 80 LEU HA A 83 ARG H 1.0 1.8 4.89 1160 1160 A 83 ARG H A 83 ARG HGy 1.0 1.8 4.53 1161 1161 A 83 ARG H A 83 ARG HGx 1.0 1.8 4.53 1162 1162 A 63 GLU HA A 66 ASP H 1.0 1.8 4.36 1163 1163 A 66 ASP H A 65 ASN HBx 1.0 1.8 4.23 1164 1164 A 66 ASP H A 66 ASP HBx 1.0 1.8 4.22 1165 1165 A 64 VAL H A 63 GLU H 1.0 1.8 3.84 1166 1166 A 63 GLU H A 62 GLN H 1.0 1.8 3.99 1167 1167 A 68 LYS H A 69 ALA H 1.0 1.8 3.65 1168 1168 A 63 GLU H A 63 GLU HBy 1.0 1.8 4.30 1169 1169 A 62 GLN HBx A 63 GLU H 1.0 1.8 3.54 1170 1170 A 63 GLU H A 63 GLU HBx 1.0 1.8 4.30 1171 1171 A 68 LYS H A 68 LYS HBy 1.0 1.8 3.67 1172 1172 A 68 LYS H A 68 LYS HGx 1.0 1.8 4.39 1173 1173 A 68 LYS H A 69 ALA HB% 1.0 1.8 5.11 1174 1174 A 64 VAL HGy% A 63 GLU H 1.0 1.8 6.14 1175 1175 A 68 LYS H A 64 VAL HGy% 1.0 1.8 6.33 1176 1176 A 44 ALA HA A 48 ASP H 1.0 1.8 5.29 1177 1177 A 48 ASP HBy A 48 ASP H 1.0 1.8 3.94 1178 1178 A 47 ILE HB A 48 ASP H 1.0 1.8 4.47 1179 1179 A 49 LYS HBx A 48 ASP H 1.0 1.8 5.47 1180 1180 A 46 ALA HB% A 48 ASP H 1.0 1.8 5.50 1181 1181 A 48 ASP H A 47 ILE HG2% 1.0 1.8 4.55 1182 1182 A 8 VAL H A 9 ALA H 1.0 1.8 3.93 1183 1183 A 9 ALA H A 7 ARG H 1.0 1.8 4.91 1184 1184 A 10 THR H A 9 ALA H 1.0 1.8 4.14 1185 1185 A 6 ASP HA A 9 ALA H 1.0 1.8 4.20 1186 1186 A 8 VAL HB A 9 ALA H 1.0 1.8 3.83 1187 1187 A 81 ALA HB% A 9 ALA H 1.0 1.8 5.96 1188 1188 A 9 ALA HB% A 9 ALA H 1.0 1.8 3.34 1189 1189 A 88 VAL H A 87 LEU H 1.0 1.8 3.98 1190 1190 A 88 VAL H A 90 ALA H 1.0 1.8 5.29 1191 1191 A 88 VAL H A 90 ALA HB% 1.0 1.8 6.04 1192 1192 A 88 VAL H A 87 LEU HBx 1.0 1.8 5.32 1193 1193 A 88 VAL H A 88 VAL HGx% 1.0 1.8 3.65 1194 1194 A 88 VAL H A 53 ILE HG2% 1.0 1.8 4.63 1195 1195 A 88 VAL H A 84 ILE HG2% 1.0 1.8 5.28 1196 1196 A 4 THR H A 5 PHE H 1.0 1.8 4.95 1197 1197 A 4 THR H A 4 THR HB 1.0 1.8 4.77 1198 1198 A 21 GLU H A 20 ARG H 1.0 1.8 4.38 1199 1199 A 22 THR H A 21 GLU H 1.0 1.8 4.19 1200 1200 A 23 ILE H A 21 GLU H 1.0 1.8 5.31 1201 1201 A 21 GLU H A 21 GLU HGy 1.0 1.8 4.09 1202 1202 A 21 GLU HBx A 21 GLU H 1.0 1.8 3.50 1203 1203 A 21 GLU H A 20 ARG HBx 1.0 1.8 5.05 1204 1204 A 21 GLU H A 20 ARG HBy 1.0 1.8 5.05 1205 1205 A 18 ILE HG2% A 21 GLU H 1.0 1.8 6.33 1206 1206 A 23 ILE HD1% A 21 GLU H 1.0 1.8 6.33 1207 1207 A 55 LEU HBy A 55 LEU H 1.0 1.8 4.31 1208 1208 A 55 LEU HDy% A 55 LEU H 1.0 1.8 5.12 1209 1209 A 31 ASP H A 28 HIS H 1.0 1.8 5.66 1210 1210 A 32 ASP H A 28 HIS H 1.0 1.8 6.12 1211 1211 A 27 SER HA A 28 HIS H 1.0 1.8 4.07 1212 1212 A 28 HIS HBy A 28 HIS H 1.0 1.8 4.31 1213 1213 A 28 HIS HBx A 28 HIS H 1.0 1.8 4.66 1214 1214 A 32 ASP HBy A 28 HIS H 1.0 1.8 6.04 1215 1215 A 76 VAL HGy% A 28 HIS H 1.0 1.8 5.69 1216 1216 A 77 LEU H A 77 LEU HG 1.0 1.8 4.55 1217 1217 A 19 PRO HA A 20 ARG H 1.0 1.8 3.52 1218 1218 A 19 PRO HBx A 20 ARG H 1.0 1.8 4.66 1219 1219 A 13 ALA HB% A 20 ARG H 1.0 1.8 4.30 1220 1220 A 23 ILE HD1% A 20 ARG H 1.0 1.8 5.01 1221 1221 A 29 ALA H A 30 ILE H 1.0 1.8 4.97 1222 1222 A 29 ALA H A 28 HIS HA 1.0 1.8 3.94 1223 1223 A 33 LEU HDx% A 29 ALA H 1.0 1.8 4.69 1224 1224 A 37 SER H A 36 ASP H 1.0 1.8 5.36 1225 1225 A 36 ASP H A 35 ILE HA 1.0 1.8 4.11 1226 1226 A 35 ILE HB A 36 ASP H 1.0 1.8 5.45 1227 1227 A 71 THR H A 64 VAL HGy% 1.0 1.8 5.24 1228 1228 A 51 PHE HBy A 51 PHE H 1.0 1.8 4.68 1229 1229 A 51 PHE H A 47 ILE HG2% 1.0 1.8 5.15 1230 1230 A 51 PHE H A 11 ILE HD1% 1.0 1.8 6.33 1231 1231 A 53 ILE HG2% A 51 PHE H 1.0 1.8 6.33 1232 1232 A 53 ILE HD1% A 51 PHE H 1.0 1.8 6.33 1233 1233 A 30 ILE H A 30 ILE HB 1.0 1.8 4.42 1234 1234 A 30 ILE H A 30 ILE HG1y 1.0 1.8 4.99 1235 1235 A 60 TRP H A 61 THR H 1.0 1.8 4.63 1236 1236 A 61 THR HB A 61 THR H 1.0 1.8 4.40 1237 1237 A 61 THR H A 60 TRP HBy 1.0 1.8 5.21 1238 1238 A 62 GLN HBx A 61 THR H 1.0 1.8 5.68 1239 1239 A 61 THR H A 60 TRP HBx 1.0 1.8 5.21 1240 1240 A 61 THR HG2% A 61 THR H 1.0 1.8 4.45 1241 1241 A 32 ASP HBx A 32 ASP H 1.0 1.8 4.34 1242 1242 A 32 ASP HBy A 32 ASP H 1.0 1.8 4.76 1243 1243 A 32 ASP H A 31 ASP HBy 1.0 1.8 4.99 1244 1244 A 32 ASP H A 31 ASP HBx 1.0 1.8 4.99 1245 1245 A 33 LEU HBx A 32 ASP H 1.0 1.8 5.29 1246 1246 A 33 LEU HDy% A 32 ASP H 1.0 1.8 5.26 1247 1247 A 15 THR H A 16 CYS H 1.0 1.8 4.28 1248 1248 A 17 ASP H A 15 THR H 1.0 1.8 5.09 1249 1249 A 15 THR HB A 15 THR H 1.0 1.8 4.05 1250 1250 A 12 ILE HA A 15 THR H 1.0 1.8 5.31 1251 1251 A 12 ILE HG2% A 15 THR H 1.0 1.8 5.38 1252 1252 A 37 SER H A 36 ASP HBy 1.0 1.8 4.76 1253 1253 A 37 SER H A 36 ASP HBx 1.0 1.8 4.76 1254 1254 A 11 ILE HA A 14 GLU H 1.0 1.8 4.72 1255 1255 A 14 GLU H A 14 GLU HGy 1.0 1.8 4.40 1256 1256 A 14 GLU H A 14 GLU HGx 1.0 1.8 4.40 1257 1257 A 14 GLU H A 14 GLU HBy 1.0 1.8 4.43 1258 1258 A 13 ALA HB% A 14 GLU H 1.0 1.8 3.83 1259 1259 A 12 ILE HG2% A 14 GLU H 1.0 1.8 6.33 1260 1260 A 23 ILE HD1% A 14 GLU H 1.0 1.8 6.33 1261 1261 A 16 CYS H A 17 ASP HA 1.0 1.8 5.57 1262 1262 A 15 THR HB A 16 CYS H 1.0 1.8 4.46 1263 1263 A 16 CYS H A 16 CYS HBy 1.0 1.8 4.76 1264 1264 A 16 CYS H A 16 CYS HBx 1.0 1.8 4.76 1265 1265 A 15 THR HG2% A 16 CYS H 1.0 1.8 5.04 1266 1266 A 18 ILE HD1% A 16 CYS H 1.0 1.8 4.95 1267 1267 A 24 THR H A 27 SER H 1.0 1.8 5.09 1268 1268 A 26 GLU H A 27 SER H 1.0 1.8 3.86 1269 1269 A 27 SER H A 27 SER HBy 1.0 1.8 4.43 1270 1270 A 27 SER H A 27 SER HBx 1.0 1.8 4.43 1271 1271 A 27 SER H A 26 GLU HBy 1.0 1.8 5.12 1272 1272 A 27 SER H A 26 GLU HBx 1.0 1.8 5.12 1273 1273 A 77 LEU HDx% A 27 SER H 1.0 1.8 5.09 1274 1274 A 33 LEU HDy% A 27 SER H 1.0 1.8 5.76 1275 1275 A 49 LYS H A 48 ASP H 1.0 1.8 4.23 1276 1276 A 49 LYS H A 46 ALA HA 1.0 1.8 4.62 1277 1277 A 49 LYS H A 48 ASP HBy 1.0 1.8 3.90 1278 1278 A 49 LYS H A 49 LYS HBx 1.0 1.8 3.42 1279 1279 A 49 LYS H A 49 LYS HDy 1.0 1.8 6.33 1280 1280 A 49 LYS H A 49 LYS HDx 1.0 1.8 6.33 1281 1281 A 49 LYS H A 49 LYS HGx 1.0 1.8 4.38 1282 1282 A 7 ARG HA A 10 THR H 1.0 1.8 5.05 1283 1283 A 11 ILE HB A 10 THR H 1.0 1.8 5.84 1284 1284 A 9 ALA HB% A 10 THR H 1.0 1.8 3.99 1285 1285 A 51 PHE H A 52 GLY H 1.0 1.8 3.99 1286 1286 A 52 GLY H A 53 ILE H 1.0 1.8 4.23 1287 1287 A 48 ASP HA A 52 GLY H 1.0 1.8 5.14 1288 1288 A 51 PHE HBx A 52 GLY H 1.0 1.8 5.40 1289 1289 A 51 PHE HBy A 52 GLY H 1.0 1.8 4.92 1290 1290 A 50 ALA HB% A 52 GLY H 1.0 1.8 5.08 1291 1291 A 47 ILE HG2% A 52 GLY H 1.0 1.8 5.74 1292 1292 A 53 ILE HG1x A 52 GLY H 1.0 1.8 6.22 1293 1293 A 53 ILE HG2% A 52 GLY H 1.0 1.8 5.16 1294 1294 A 70 THR H A 69 ALA H 1.0 1.8 5.14 1295 1295 A 69 ALA HA A 70 THR H 1.0 1.8 3.52 1296 1296 A 69 ALA HB% A 70 THR H 1.0 1.8 3.71 1297 1297 A 64 VAL HGy% A 70 THR H 1.0 1.8 5.13 1298 1298 A 23 ILE H A 22 THR H 1.0 1.8 3.78 1299 1299 A 22 THR H A 19 PRO HBx 1.0 1.8 6.05 1300 1300 A 22 THR H A 21 GLU HGy 1.0 1.8 4.81 1301 1301 A 22 THR H A 21 GLU HBy 1.0 1.8 5.29 1302 1302 A 22 THR H A 21 GLU HBx 1.0 1.8 5.60 1303 1303 A 22 THR H A 19 PRO HBy 1.0 1.8 4.44 1304 1304 A 18 ILE HG2% A 22 THR H 1.0 1.8 4.95 1305 1305 A 62 GLN HA A 62 GLN HE2x 1.0 1.8 5.42 1306 1306 A 62 GLN HBy A 62 GLN HE2x 1.0 1.8 5.51 1307 1307 A 33 LEU H A 32 ASP H 1.0 1.8 4.09 1308 1308 A 29 ALA HA A 33 LEU H 1.0 1.8 4.66 1309 1309 A 32 ASP HBx A 33 LEU H 1.0 1.8 4.57 1310 1310 A 32 ASP HBy A 33 LEU H 1.0 1.8 4.80 1311 1311 A 33 LEU HBy A 33 LEU H 1.0 1.8 4.52 1312 1312 A 33 LEU H A 33 LEU HG 1.0 1.8 4.16 1313 1313 A 33 LEU HDx% A 33 LEU H 1.0 1.8 4.75 1314 1314 A 79 ASN HD2y A 76 VAL HB 1.0 1.8 4.51 1315 1315 A 79 ASN HD2x A 76 VAL HB 1.0 1.8 4.65 1316 1316 A 6 ASP HA A 20 ARG HE 1.0 1.8 6.33 1317 1317 A 10 THR HA A 20 ARG HE 1.0 1.8 6.33 1318 1318 A 20 ARG HA A 20 ARG HE 1.0 1.8 6.33 1319 1319 A 9 ALA HB% A 20 ARG HE 1.0 1.8 4.95 1320 1320 A 24 THR HA A 26 GLU H 1.0 1.8 5.18 1321 1321 A 24 THR HB A 26 GLU H 1.0 1.8 4.62 1322 1322 A 25 PRO HDx A 26 GLU H 1.0 1.8 4.80 1323 1323 A 25 PRO HDy A 26 GLU H 1.0 1.8 5.13 1324 1324 A 26 GLU H A 26 GLU HGy 1.0 1.8 4.26 1325 1325 A 24 THR HG2% A 26 GLU H 1.0 1.8 4.91 1326 1326 A 76 VAL HGx% A 26 GLU H 1.0 1.8 6.27 1327 1327 A 77 LEU HDx% A 26 GLU H 1.0 1.8 6.33 1328 1328 A 48 ASP HA A 53 ILE H 1.0 1.8 4.51 1329 1329 A 51 PHE HBy A 53 ILE H 1.0 1.8 5.46 1330 1330 A 53 ILE HG1y A 53 ILE H 1.0 1.8 4.72 1331 1331 A 53 ILE HG1x A 53 ILE H 1.0 1.8 4.49 1332 1332 A 53 ILE HG2% A 53 ILE H 1.0 1.8 4.51 1333 1333 A 68 LYS H A 67 GLY H 1.0 1.8 3.45 1334 1334 A 65 ASN HA A 67 GLY H 1.0 1.8 5.07 1335 1335 A 67 GLY H A 66 ASP HBy 1.0 1.8 4.90 1336 1336 A 67 GLY H A 66 ASP HBx 1.0 1.8 4.90 1337 1337 A 68 LYS HBy A 67 GLY H 1.0 1.8 5.76 1338 1338 A 68 LYS HGy A 67 GLY H 1.0 1.8 5.43 1339 1339 A 64 VAL HGx% A 67 GLY H 1.0 1.8 5.57 1340 1340 A 64 VAL HGy% A 67 GLY H 1.0 1.8 6.33 1341 1341 A 75 PHE H A 74 TYR H 1.0 1.8 4.24 1342 1342 A 75 PHE H A 74 TYR HBx 1.0 1.8 5.23 1343 1343 A 91 LYS H A 92 GLY H 1.0 1.8 3.93 1344 1344 A 89 ALA HA A 92 GLY H 1.0 1.8 4.23 1345 1345 A 91 LYS HBx A 92 GLY H 1.0 1.8 4.93 1346 1346 A 92 GLY H A 91 LYS HGy 1.0 1.8 4.93 1347 1347 A 92 GLY H A 91 LYS HGx 1.0 1.8 4.93 1348 1348 A 32 ASP H A 34 GLY H 1.0 1.8 5.54 1349 1349 A 35 ILE H A 34 GLY H 1.0 1.8 4.57 1350 1350 A 30 ILE HA A 34 GLY H 1.0 1.8 4.88 1351 1351 A 33 LEU HG A 34 GLY H 1.0 1.8 5.03 1352 1352 A 33 LEU HDx% A 34 GLY H 1.0 1.8 5.84 1353 1353 A 33 LEU HDy% A 34 GLY H 1.0 1.8 5.18 1354 1354 A 18 ILE HD1% A 34 GLY H 1.0 1.8 6.33 1355 1355 A 35 ILE HD1% A 34 GLY H 1.0 1.8 6.33 1356 1356 A 72 GLU H A 73 GLN H 1.0 1.8 4.30 1357 1357 A 73 GLN H A 74 TYR H 1.0 1.8 4.54 1358 1358 A 73 GLN H A 72 GLU HGx 1.0 1.8 5.08 1359 1359 A 72 GLU HBy A 73 GLN H 1.0 1.8 4.89 1360 1360 A 73 GLN H A 72 GLU HBx 1.0 1.8 4.82 1361 1361 A 73 GLN H A 73 GLN HBy 1.0 1.8 4.07 1362 1362 A 73 GLN H A 73 GLN HBx 1.0 1.8 4.07 1363 1363 A 64 VAL HGy% A 73 GLN H 1.0 1.8 6.12 1364 1364 A 76 VAL HGy% A 73 GLN H 1.0 1.8 6.33 1365 1365 A 18 ILE H A 17 ASP H 1.0 1.8 4.27 1366 1366 A 18 ILE H A 17 ASP HA 1.0 1.8 4.01 1367 1367 A 18 ILE H A 18 ILE HB 1.0 1.8 4.08 1368 1368 A 18 ILE H A 18 ILE HG1x 1.0 1.8 4.99 1369 1369 A 18 ILE HG2% A 18 ILE H 1.0 1.8 4.60 1370 1370 A 81 ALA H A 82 ALA H 1.0 1.8 3.94 1371 1371 A 84 ILE H A 82 ALA H 1.0 1.8 4.84 1372 1372 A 82 ALA H A 79 ASN HA 1.0 1.8 4.65 1373 1373 A 80 LEU HA A 82 ALA H 1.0 1.8 5.27 1374 1374 A 82 ALA H A 81 ALA HB% 1.0 1.8 3.82 1375 1375 A 17 ASP H A 16 CYS H 1.0 1.8 4.14 1376 1376 A 17 ASP H A 14 GLU HA 1.0 1.8 4.89 1377 1377 A 17 ASP H A 16 CYS HBy 1.0 1.8 5.34 1378 1378 A 17 ASP H A 17 ASP HBy 1.0 1.8 4.76 1379 1379 A 17 ASP H A 16 CYS HBx 1.0 1.8 5.34 1380 1380 A 90 ALA H A 91 LYS H 1.0 1.8 3.83 1381 1381 A 91 LYS H A 92 GLY HAx 1.0 1.8 6.33 1382 1382 A 92 GLY HAy A 91 LYS H 1.0 1.8 6.33 1383 1383 A 88 VAL HA A 91 LYS H 1.0 1.8 4.76 1384 1384 A 91 LYS H A 91 LYS HBx 1.0 1.8 3.51 1385 1385 A 91 LYS H A 91 LYS HGy 1.0 1.8 4.38 1386 1386 A 91 LYS H A 90 ALA HB% 1.0 1.8 3.76 1387 1387 A 91 LYS H A 91 LYS HGx 1.0 1.8 4.38 1388 1388 A 53 ILE HB A 54 LYS H 1.0 1.8 3.71 1389 1389 A 94 LEU H A 94 LEU HG 1.0 1.8 3.39 1390 1390 A 54 LYS H A 54 LYS HBx 1.0 1.8 4.38 1391 1391 A 87 LEU HDx% A 54 LYS H 1.0 1.8 4.60 1392 1392 A 53 ILE HG2% A 54 LYS H 1.0 1.8 4.12 1393 1393 A 7 ARG H A 6 ASP HBy 1.0 1.8 5.05 1394 1394 A 7 ARG H A 6 ASP HBx 1.0 1.8 5.05 1395 1395 A 7 ARG H A 7 ARG HBy 1.0 1.8 4.34 1396 1396 A 7 ARG HBx A 7 ARG H 1.0 1.8 4.43 1397 1397 A 7 ARG HGx A 7 ARG H 1.0 1.8 5.01 1398 1398 A 88 VAL HB A 90 ALA H 1.0 1.8 6.33 1399 1399 A 90 ALA H A 90 ALA HB% 1.0 1.8 3.17 1400 1400 A 90 ALA H A 87 LEU HDy% 1.0 1.8 5.97 1401 1401 A 95 GLU H A 94 LEU H 1.0 1.8 3.85 1402 1402 A 95 GLU H A 94 LEU HBy 1.0 1.8 4.99 1403 1403 A 95 GLU H A 94 LEU HG 1.0 1.8 5.69 1404 1404 A 95 GLU H A 94 LEU HBx 1.0 1.8 4.99 1405 1405 A 95 GLU H A 93 ALA HB% 1.0 1.8 5.45 1406 1406 A 64 VAL H A 63 GLU HBy 1.0 1.8 4.53 1407 1407 A 64 VAL H A 64 VAL HB 1.0 1.8 3.62 1408 1408 A 64 VAL H A 63 GLU HBx 1.0 1.8 4.53 1409 1409 A 64 VAL H A 69 ALA HB% 1.0 1.8 4.92 1410 1410 A 64 VAL H A 64 VAL HGy% 1.0 1.8 3.52 1411 1411 A 75 PHE H A 76 VAL H 1.0 1.8 4.21 1412 1412 A 79 ASN HD2y A 76 VAL H 1.0 1.8 4.77 1413 1413 A 76 VAL H A 74 TYR H 1.0 1.8 5.21 1414 1414 A 72 GLU HA A 76 VAL H 1.0 1.8 4.62 1415 1415 A 76 VAL HB A 76 VAL H 1.0 1.8 3.82 1416 1416 A 76 VAL HGy% A 76 VAL H 1.0 1.8 3.85 1417 1417 A 69 ALA H A 67 GLY H 1.0 1.8 4.68 1418 1418 A 64 VAL HA A 69 ALA H 1.0 1.8 4.14 1419 1419 A 68 LYS HBx A 69 ALA H 1.0 1.8 4.96 1420 1420 A 68 LYS HBy A 69 ALA H 1.0 1.8 4.44 1421 1421 A 68 LYS HGx A 69 ALA H 1.0 1.8 6.08 1422 1422 A 69 ALA HB% A 69 ALA H 1.0 1.8 3.88 1423 1423 A 64 VAL HGy% A 69 ALA H 1.0 1.8 4.77 1424 1424 A 81 ALA H A 79 ASN H 1.0 1.8 5.14 1425 1425 A 79 ASN H A 80 LEU H 1.0 1.8 3.94 1426 1426 A 79 ASN H A 76 VAL HB 1.0 1.8 5.01 1427 1427 A 79 ASN H A 78 LYS HDy 1.0 1.8 5.24 1428 1428 A 58 GLU HGx A 59 LYS H 1.0 1.8 5.43 1429 1429 A 59 LYS H A 59 LYS HBy 1.0 1.8 3.70 1430 1430 A 59 LYS H A 59 LYS HBx 1.0 1.8 4.07 1431 1431 A 20 ARG HH1x A 20 ARG HGy 1.0 1.8 5.43 1432 1432 A 20 ARG HH1x A 20 ARG HGx 1.0 1.8 5.43 1433 1433 A 9 ALA HB% A 20 ARG HH1x 1.0 1.8 5.20 1434 1434 A 62 GLN H A 61 THR H 1.0 1.8 3.97 1435 1435 A 60 TRP H A 62 GLN H 1.0 1.8 5.34 1436 1436 A 64 VAL H A 62 GLN H 1.0 1.8 5.83 1437 1437 A 61 THR HB A 62 GLN H 1.0 1.8 4.19 1438 1438 A 62 GLN HBy A 62 GLN H 1.0 1.8 3.75 1439 1439 A 62 GLN HBx A 62 GLN H 1.0 1.8 3.92 1440 1440 A 61 THR HG2% A 62 GLN H 1.0 1.8 4.39 1441 1441 A 93 ALA H A 92 GLY H 1.0 1.8 3.70 1442 1442 A 93 ALA H A 91 LYS H 1.0 1.8 5.06 1443 1443 A 93 ALA H A 92 GLY HAx 1.0 1.8 3.75 1444 1444 A 93 ALA H A 91 LYS HBy 1.0 1.8 6.33 1445 1445 A 93 ALA H A 94 LEU HG 1.0 1.8 5.04 1446 1446 A 93 ALA H A 93 ALA HB% 1.0 1.8 3.21 1447 1447 A 20 ARG HA A 23 ILE H 1.0 1.8 5.22 1448 1448 A 23 ILE HB A 23 ILE H 1.0 1.8 3.74 1449 1449 A 23 ILE H A 22 THR HG2% 1.0 1.8 4.96 1450 1450 A 13 ALA H A 11 ILE H 1.0 1.8 5.35 1451 1451 A 10 THR HB A 11 ILE H 1.0 1.8 4.68 1452 1452 A 8 VAL HA A 11 ILE H 1.0 1.8 4.66 1453 1453 A 11 ILE HB A 11 ILE H 1.0 1.8 3.82 1454 1454 A 11 ILE HG1y A 11 ILE H 1.0 1.8 4.01 1455 1455 A 10 THR HG2% A 11 ILE H 1.0 1.8 4.57 1456 1456 A 11 ILE HG1x A 11 ILE H 1.0 1.8 4.40 1457 1457 A 11 ILE HG2% A 11 ILE H 1.0 1.8 4.53 1458 1458 A 11 ILE HD1% A 11 ILE H 1.0 1.8 4.09 1459 1459 A 46 ALA H A 47 ILE H 1.0 1.8 4.21 1460 1460 A 45 PHE H A 46 ALA H 1.0 1.8 4.42 1461 1461 A 45 PHE HBx A 46 ALA H 1.0 1.8 4.19 1462 1462 A 90 ALA H A 89 ALA H 1.0 1.8 3.84 1463 1463 A 89 ALA H A 91 LYS H 1.0 1.8 5.54 1464 1464 A 88 VAL HB A 89 ALA H 1.0 1.8 4.27 1465 1465 A 89 ALA H A 89 ALA HB% 1.0 1.8 3.19 1466 1466 A 88 VAL HGx% A 89 ALA H 1.0 1.8 4.54 1467 1467 A 88 VAL HGy% A 89 ALA H 1.0 1.8 4.16 1468 1468 A 53 ILE HG2% A 89 ALA H 1.0 1.8 5.45 1469 1469 A 42 ASP H A 43 ILE H 1.0 1.8 4.59 1470 1470 A 85 ASP HA A 87 LEU H 1.0 1.8 5.55 1471 1471 A 43 ILE H A 42 ASP HBy 1.0 1.8 5.16 1472 1472 A 43 ILE H A 42 ASP HBx 1.0 1.8 5.16 1473 1473 A 87 LEU H A 86 GLU HGy 1.0 1.8 6.33 1474 1474 A 87 LEU H A 86 GLU HBy 1.0 1.8 4.53 1475 1475 A 87 LEU H A 86 GLU HBx 1.0 1.8 4.26 1476 1476 A 87 LEU H A 87 LEU HG 1.0 1.8 4.40 1477 1477 A 43 ILE HB A 43 ILE H 1.0 1.8 3.98 1478 1478 A 89 ALA HB% A 87 LEU H 1.0 1.8 6.14 1479 1479 A 87 LEU H A 90 ALA HB% 1.0 1.8 6.33 1480 1480 A 87 LEU H A 87 LEU HBx 1.0 1.8 4.70 1481 1481 A 15 THR HG2% A 43 ILE H 1.0 1.8 4.85 1482 1482 A 43 ILE HG1x A 43 ILE H 1.0 1.8 4.05 1483 1483 A 83 ARG HA A 86 GLU H 1.0 1.8 4.74 1484 1484 A 86 GLU H A 85 ASP HBy 1.0 1.8 5.12 1485 1485 A 86 GLU H A 86 GLU HBy 1.0 1.8 3.71 1486 1486 A 86 GLU H A 86 GLU HBx 1.0 1.8 4.06 1487 1487 A 89 ALA HB% A 86 GLU H 1.0 1.8 5.57 1488 1488 A 30 ILE HA A 35 ILE H 1.0 1.8 4.76 1489 1489 A 35 ILE HB A 35 ILE H 1.0 1.8 4.24 1490 1490 A 35 ILE H A 35 ILE HG1y 1.0 1.8 4.63 1491 1491 A 35 ILE H A 35 ILE HG1x 1.0 1.8 4.84 1492 1492 A 84 ILE H A 83 ARG H 1.0 1.8 4.35 1493 1493 A 85 ASP HA A 84 ILE H 1.0 1.8 6.29 1494 1494 A 84 ILE H A 82 ALA HA 1.0 1.8 5.14 1495 1495 A 81 ALA HA A 84 ILE H 1.0 1.8 4.97 1496 1496 A 84 ILE H A 83 ARG HBy 1.0 1.8 5.08 1497 1497 A 84 ILE H A 83 ARG HBx 1.0 1.8 5.08 1498 1498 A 84 ILE H A 84 ILE HB 1.0 1.8 3.78 1499 1499 A 84 ILE H A 82 ALA HB% 1.0 1.8 5.30 1500 1500 A 88 VAL HGx% A 84 ILE H 1.0 1.8 6.33 1501 1501 A 4 THR HG2% A 84 ILE H 1.0 1.8 5.28 1502 1502 A 84 ILE H A 87 LEU HDx% 1.0 1.8 5.39 1503 1503 A 84 ILE H A 84 ILE HG1x 1.0 1.8 4.88 1504 1504 A 84 ILE HG2% A 84 ILE H 1.0 1.8 4.74 1505 1505 A 12 ILE H A 13 ALA H 1.0 1.8 4.17 1506 1506 A 10 THR HA A 13 ALA H 1.0 1.8 4.88 1507 1507 A 12 ILE HB A 13 ALA H 1.0 1.8 4.09 1508 1508 A 23 ILE HD1% A 13 ALA H 1.0 1.8 4.00 1509 1509 A 85 ASP H A 83 ARG H 1.0 1.8 5.22 1510 1510 A 85 ASP H A 86 GLU H 1.0 1.8 4.04 1511 1511 A 85 ASP H A 82 ALA HA 1.0 1.8 4.45 1512 1512 A 85 ASP H A 81 ALA HA 1.0 1.8 5.11 1513 1513 A 85 ASP H A 85 ASP HBy 1.0 1.8 4.17 1514 1514 A 85 ASP H A 85 ASP HBx 1.0 1.8 4.17 1515 1515 A 85 ASP H A 84 ILE HB 1.0 1.8 4.13 1516 1516 A 85 ASP H A 81 ALA HB% 1.0 1.8 5.38 1517 1517 A 85 ASP H A 8 VAL HGy% 1.0 1.8 6.33 1518 1518 A 85 ASP H A 84 ILE HD1% 1.0 1.8 5.97 1519 1519 A 80 LEU H A 79 ASN HBy 1.0 1.8 5.54 1520 1520 A 80 LEU HBx A 80 LEU H 1.0 1.8 4.31 1521 1521 A 80 LEU H A 80 LEU HG 1.0 1.8 5.20 1522 1522 A 76 VAL HGx% A 80 LEU H 1.0 1.8 5.08 1523 1523 A 80 LEU H A 77 LEU HDy% 1.0 1.8 6.13 1524 1524 A 41 LEU H A 40 PHE H 1.0 1.8 5.04 1525 1525 A 41 LEU H A 42 ASP H 1.0 1.8 4.83 1526 1526 A 41 LEU H A 40 PHE HBx 1.0 1.8 5.12 1527 1527 A 41 LEU H A 41 LEU HG 1.0 1.8 4.29 1528 1528 A 41 LEU H A 41 LEU HBx 1.0 1.8 4.60 1529 1529 A 64 VAL H A 65 ASN H 1.0 1.8 3.88 1530 1530 A 62 GLN HA A 65 ASN H 1.0 1.8 4.23 1531 1531 A 65 ASN HBx A 65 ASN H 1.0 1.8 3.44 1532 1532 A 64 VAL HB A 65 ASN H 1.0 1.8 3.83 1533 1533 A 64 VAL HGx% A 65 ASN H 1.0 1.8 3.88 1534 1534 A 8 VAL H A 7 ARG H 1.0 1.8 4.31 1535 1535 A 8 VAL H A 5 PHE HA 1.0 1.8 5.04 1536 1536 A 8 VAL H A 8 VAL HB 1.0 1.8 3.73 1537 1537 A 4 THR HG2% A 8 VAL H 1.0 1.8 5.18 1538 1538 A 8 VAL H A 8 VAL HGx% 1.0 1.8 4.43 1539 1539 A 12 ILE H A 11 ILE H 1.0 1.8 4.35 1540 1540 A 12 ILE H A 12 ILE HG1y 1.0 1.8 4.23 1541 1541 A 12 ILE H A 12 ILE HB 1.0 1.8 3.90 1542 1542 A 12 ILE H A 12 ILE HG1x 1.0 1.8 4.23 1543 1543 A 71 THR H A 72 GLU H 1.0 1.8 4.59 1544 1544 A 44 ALA H A 43 ILE H 1.0 1.8 4.30 1545 1545 A 45 PHE H A 44 ALA H 1.0 1.8 4.66 1546 1546 A 41 LEU HA A 44 ALA H 1.0 1.8 4.92 1547 1547 A 72 GLU H A 72 GLU HBy 1.0 1.8 4.35 1548 1548 A 47 ILE HG1x A 44 ALA H 1.0 1.8 5.75 1549 1549 A 72 GLU H A 72 GLU HBx 1.0 1.8 4.44 1550 1550 A 43 ILE HB A 44 ALA H 1.0 1.8 4.32 1551 1551 A 72 GLU H A 70 THR HA 1.0 1.8 6.03 1552 1552 A 72 GLU H A 72 GLU HGy 1.0 1.8 5.16 1553 1553 A 38 LEU H A 37 SER H 1.0 1.8 4.05 1554 1554 A 38 LEU H A 37 SER HBy 1.0 1.8 5.91 1555 1555 A 38 LEU H A 37 SER HBx 1.0 1.8 5.91 1556 1556 A 38 LEU H A 38 LEU HBy 1.0 1.8 4.20 1557 1557 A 38 LEU H A 38 LEU HG 1.0 1.8 4.30 1558 1558 A 5 PHE HDy A 5 PHE H 1.0 1.8 5.27 1559 1559 A 5 PHE HBy A 5 PHE H 1.0 1.8 4.43 1560 1560 A 5 PHE HBx A 5 PHE H 1.0 1.8 4.35 1561 1561 A 81 ALA HB% A 5 PHE H 1.0 1.8 4.86 1562 1562 A 23 ILE HA A 24 THR H 1.0 1.8 3.97 1563 1563 A 60 TRP H A 59 LYS H 1.0 1.8 4.21 1564 1564 A 54 LYS H A 55 LEU H 1.0 1.8 5.47 1565 1565 A 53 ILE HA A 54 LYS H 1.0 1.8 3.90 1566 1566 A 56 PRO HA A 57 LEU H 1.0 1.8 3.78 1567 1567 A 57 LEU H A 57 LEU HBx 1.0 1.8 3.73 1568 1568 A 57 LEU H A 57 LEU HBy 1.0 1.8 4.05 1569 1569 A 51 PHE H A 50 ALA H 1.0 1.8 4.28 1570 1570 A 49 LYS H A 50 ALA H 1.0 1.8 4.03 1571 1571 A 49 LYS HBx A 50 ALA H 1.0 1.8 3.89 1572 1572 A 50 ALA H A 11 ILE HD1% 1.0 1.8 5.68 1573 1573 A 66 ASP H A 67 GLY H 1.0 1.8 3.47 1574 1574 A 66 ASP H A 65 ASN H 1.0 1.8 3.11 1575 1575 A 94 LEU H A 93 ALA H 1.0 1.8 3.28 1576 1576 A 88 VAL H A 89 ALA H 1.0 1.8 3.84 1577 1577 A 60 TRP HH2 A 83 ARG HE 1.0 1.8 4.99 1578 1578 A 52 GLY H A 49 LYS HA 1.0 1.8 4.68 1579 1579 A 83 ARG HA A 83 ARG HE 1.0 1.8 4.55 1580 1580 A 51 PHE HDy A 52 GLY H 1.0 1.8 4.77 1581 1581 A 23 ILE H A 23 ILE HG1y 1.0 1.8 4.68 1582 1582 A 41 LEU H A 41 LEU HBy 1.0 1.8 4.60 1583 1583 A 23 ILE HG1x A 23 ILE H 1.0 1.8 3.91 1584 1584 A 76 VAL H A 28 HIS HD2 1.0 1.8 4.98 1585 1585 A 75 PHE H A 74 TYR HBy 1.0 1.8 5.39 1586 1586 A 75 PHE H A 76 VAL HGy% 1.0 1.8 5.42 1587 1587 A 75 PHE H A 76 VAL HB 1.0 1.8 5.69 1588 1588 A 47 ILE H A 44 ALA H 1.0 1.8 5.64 1589 1589 A 71 THR H A 70 THR H 1.0 1.8 5.64 1590 1590 A 70 THR H A 73 GLN H 1.0 1.8 5.62 1591 1591 A 64 VAL HB A 66 ASP H 1.0 1.8 5.73 1592 1592 A 13 ALA H A 14 GLU H 1.0 1.8 4.04 1593 1593 A 56 PRO HGy A 60 TRP HE1 1.0 1.8 4.92 1594 1594 A 33 LEU HDy% A 28 HIS H 1.0 1.8 6.33 1595 1595 A 28 HIS H A 27 SER HBx 1.0 1.8 5.39 1596 1596 A 28 HIS H A 27 SER HBy 1.0 1.8 5.39 1597 1597 A 59 LYS H A 58 GLU H 1.0 1.8 4.42 1598 1598 A 58 GLU HBx A 59 LYS H 1.0 1.8 4.19 1599 1599 A 7 ARG HGy A 7 ARG H 1.0 1.8 4.44 1600 1600 A 54 LYS H A 54 LYS HBy 1.0 1.8 4.38 1601 1601 A 51 PHE H A 53 ILE H 1.0 1.8 5.78 1602 1602 A 47 ILE HD1% A 48 ASP H 1.0 1.8 5.92 1603 1603 A 45 PHE HA A 48 ASP H 1.0 1.8 5.00 1604 1604 A 47 ILE H A 47 ILE HB 1.0 1.8 3.89 1605 1605 A 47 ILE H A 47 ILE HG2% 1.0 1.8 4.59 1606 1606 A 45 PHE H A 45 PHE HBy 1.0 1.8 4.05 1607 1607 A 44 ALA H A 55 LEU HDx% 1.0 1.8 6.33 1608 1608 A 44 ALA H A 57 LEU HDx% 1.0 1.8 6.33 1609 1609 A 43 ILE HG2% A 44 ALA H 1.0 1.8 4.43 1610 1610 A 12 ILE H A 8 VAL HGx% 1.0 1.8 4.43 1611 1611 A 40 PHE HA A 43 ILE H 1.0 1.8 4.55 1612 1612 A 38 LEU H A 41 LEU H 1.0 1.8 5.65 1613 1613 A 33 LEU HBx A 34 GLY H 1.0 1.8 5.36 1614 1614 A 33 LEU H A 34 GLY H 1.0 1.8 3.93 1615 1615 A 35 ILE H A 33 LEU H 1.0 1.8 6.33 1616 1616 A 33 LEU HBx A 33 LEU H 1.0 1.8 4.24 1617 1617 A 30 ILE H A 31 ASP H 1.0 1.8 3.86 1618 1618 A 29 ALA H A 77 LEU H 1.0 1.8 5.74 1619 1619 A 29 ALA H A 28 HIS HD2 1.0 1.8 5.78 1620 1620 A 24 THR HA A 27 SER H 1.0 1.8 5.62 1621 1621 A 26 GLU H A 26 GLU HGx 1.0 1.8 4.26 1622 1622 A 40 PHE H A 37 SER H 1.0 1.8 5.82 1623 1623 A 14 GLU H A 15 THR H 1.0 1.8 3.82 1624 1624 A 13 ALA H A 18 ILE H 1.0 1.8 5.83 1625 1625 A 10 THR H A 11 ILE H 1.0 1.8 3.80 1626 1626 A 23 ILE HB A 20 ARG HH1x 1.0 1.8 6.33 1627 1627 A 10 THR HB A 20 ARG HH1x 1.0 1.8 6.33 1628 1628 A 20 ARG HH1y A 10 THR HB 1.0 1.8 6.33 1629 1629 A 47 ILE H A 47 ILE HG1y 1.0 1.8 4.68 1630 1630 A 47 ILE H A 47 ILE HG1x 1.0 1.8 4.05 1631 1631 A 79 ASN H A 79 ASN HBy 1.0 1.8 4.34 1632 1632 A 79 ASN H A 79 ASN HBx 1.0 1.8 4.34 1633 1633 A 18 ILE H A 13 ALA HA 1.0 1.8 6.33 1634 1634 A 2 THR HA A 6 ASP HBx 1.0 1.8 5.38 1635 1634 A 2 THR HA A 6 ASP HBy 1.0 1.8 5.38 1636 1635 A 2 THR HG2% A 7 ARG HDx 1.0 1.8 5.14 1637 1635 A 2 THR HG2% A 7 ARG HDy 1.0 1.8 5.14 1638 1636 A 4 THR H A 3 SER HBy 1.0 1.8 4.43 1639 1636 A 4 THR H A 3 SER HBx 1.0 1.8 4.43 1640 1637 A 4 THR HA A 3 SER HBy 1.0 1.8 5.60 1641 1637 A 4 THR HA A 3 SER HBx 1.0 1.8 5.60 1642 1638 A 5 PHE H A 3 SER HBy 1.0 1.8 5.20 1643 1638 A 5 PHE H A 3 SER HBx 1.0 1.8 5.20 1644 1639 A 5 PHE HBy A 78 LYS HBx 1.0 1.8 5.38 1645 1639 A 5 PHE HBy A 78 LYS HBy 1.0 1.8 5.38 1646 1640 A 7 ARG H A 6 ASP HBx 1.0 1.8 4.40 1647 1640 A 7 ARG H A 6 ASP HBy 1.0 1.8 4.40 1648 1641 A 7 ARG HA A 7 ARG HDx 1.0 1.8 4.21 1649 1641 A 7 ARG HA A 7 ARG HDy 1.0 1.8 4.21 1650 1642 A 10 THR HG2% A 7 ARG HDx 1.0 1.8 6.14 1651 1642 A 10 THR HG2% A 7 ARG HDy 1.0 1.8 6.14 1652 1643 A 51 PHE HZ A 7 ARG HDx 1.0 1.8 5.31 1653 1643 A 51 PHE HZ A 7 ARG HDy 1.0 1.8 5.31 1654 1644 A 51 PHE HEy A 7 ARG HDx 1.0 1.8 5.82 1655 1644 A 51 PHE HEy A 7 ARG HDy 1.0 1.8 5.82 1656 1645 A 8 VAL HGy% A 84 ILE HG1x 1.0 1.8 5.13 1657 1645 A 8 VAL HGy% A 84 ILE HG1y 1.0 1.8 5.13 1658 1646 A 9 ALA HB% A 20 ARG HDx 1.0 1.8 4.17 1659 1646 A 9 ALA HB% A 20 ARG HDy 1.0 1.8 4.17 1660 1647 A 10 THR HA A 20 ARG HDx 1.0 1.8 4.65 1661 1647 A 10 THR HA A 20 ARG HDy 1.0 1.8 4.65 1662 1648 A 10 THR HB A 20 ARG HDx 1.0 1.8 5.18 1663 1648 A 10 THR HB A 20 ARG HDy 1.0 1.8 5.18 1664 1649 A 20 ARG HH2x A 10 THR HB 1.0 1.8 6.14 1665 1649 A 20 ARG HH2y A 10 THR HB 1.0 1.8 6.14 1666 1650 A 10 THR HG2% A 14 GLU HGx 1.0 1.8 4.36 1667 1650 A 10 THR HG2% A 14 GLU HGy 1.0 1.8 4.36 1668 1651 A 10 THR HG2% A 20 ARG HDx 1.0 1.8 6.14 1669 1651 A 10 THR HG2% A 20 ARG HDy 1.0 1.8 6.14 1670 1652 A 11 ILE HA A 14 GLU HBy 1.0 1.8 5.22 1671 1652 A 11 ILE HA A 14 GLU HBx 1.0 1.8 5.22 1672 1653 A 11 ILE HG2% A 12 ILE HG1x 1.0 1.8 4.95 1673 1653 A 11 ILE HG2% A 12 ILE HG1y 1.0 1.8 4.95 1674 1654 A 12 ILE H A 12 ILE HG1x 1.0 1.8 3.48 1675 1654 A 12 ILE H A 12 ILE HG1y 1.0 1.8 3.48 1676 1655 A 12 ILE HA A 12 ILE HG1x 1.0 1.8 4.21 1677 1655 A 12 ILE HA A 12 ILE HG1y 1.0 1.8 4.21 1678 1656 A 43 ILE HG2% A 12 ILE HG1x 1.0 1.8 4.61 1679 1656 A 43 ILE HG2% A 12 ILE HG1y 1.0 1.8 4.61 1680 1657 A 43 ILE HG1y A 12 ILE HG1x 1.0 1.8 5.11 1681 1657 A 43 ILE HG1y A 12 ILE HG1y 1.0 1.8 5.11 1682 1658 A 43 ILE HD1% A 12 ILE HG1x 1.0 1.8 4.61 1683 1658 A 43 ILE HD1% A 12 ILE HG1y 1.0 1.8 4.61 1684 1659 A 77 LEU HDy% A 12 ILE HG1x 1.0 1.8 4.81 1685 1659 A 77 LEU HDy% A 12 ILE HG1y 1.0 1.8 4.81 1686 1660 A 13 ALA HB% A 14 GLU HGx 1.0 1.8 4.55 1687 1660 A 13 ALA HB% A 14 GLU HGy 1.0 1.8 4.55 1688 1661 A 13 ALA HB% A 20 ARG HBy 1.0 1.8 4.83 1689 1661 A 13 ALA HB% A 20 ARG HBx 1.0 1.8 4.83 1690 1662 A 13 ALA HB% A 20 ARG HDx 1.0 1.8 4.06 1691 1662 A 13 ALA HB% A 20 ARG HDy 1.0 1.8 4.06 1692 1663 A 14 GLU H A 14 GLU HBy 1.0 1.8 3.86 1693 1663 A 14 GLU H A 14 GLU HBx 1.0 1.8 3.86 1694 1664 A 14 GLU H A 14 GLU HGx 1.0 1.8 3.76 1695 1664 A 14 GLU H A 14 GLU HGy 1.0 1.8 3.76 1696 1665 A 14 GLU HA A 14 GLU HGx 1.0 1.8 4.08 1697 1665 A 14 GLU HA A 14 GLU HGy 1.0 1.8 4.08 1698 1666 A 15 THR H A 14 GLU HBy 1.0 1.8 4.63 1699 1666 A 15 THR H A 14 GLU HBx 1.0 1.8 4.63 1700 1667 A 15 THR H A 14 GLU HGx 1.0 1.8 5.21 1701 1667 A 15 THR H A 14 GLU HGy 1.0 1.8 5.21 1702 1668 A 15 THR HG2% A 42 ASP HBx 1.0 1.8 3.80 1703 1668 A 15 THR HG2% A 42 ASP HBy 1.0 1.8 3.80 1704 1669 A 16 CYS H A 16 CYS HBx 1.0 1.8 4.07 1705 1669 A 16 CYS H A 16 CYS HBy 1.0 1.8 4.07 1706 1670 A 18 ILE H A 16 CYS HBx 1.0 1.8 5.16 1707 1670 A 18 ILE H A 16 CYS HBy 1.0 1.8 5.16 1708 1671 A 18 ILE HB A 16 CYS HBx 1.0 1.8 5.08 1709 1671 A 18 ILE HB A 16 CYS HBy 1.0 1.8 5.08 1710 1672 A 16 CYS HBx A 18 ILE HG1x 1.0 1.8 4.58 1711 1672 A 16 CYS HBy A 18 ILE HG1x 1.0 1.8 4.58 1712 1672 A 18 ILE HG1y A 16 CYS HBx 1.0 1.8 4.58 1713 1672 A 16 CYS HBy A 18 ILE HG1y 1.0 1.8 4.58 1714 1673 A 18 ILE HD1% A 16 CYS HBx 1.0 1.8 3.81 1715 1673 A 18 ILE HD1% A 16 CYS HBy 1.0 1.8 3.81 1716 1674 A 17 ASP H A 17 ASP HBx 1.0 1.8 4.17 1717 1674 A 17 ASP H A 17 ASP HBy 1.0 1.8 4.17 1718 1675 A 18 ILE H A 17 ASP HBx 1.0 1.8 4.91 1719 1675 A 18 ILE H A 17 ASP HBy 1.0 1.8 4.91 1720 1676 A 18 ILE HA A 19 PRO HDy 1.0 1.8 3.51 1721 1676 A 18 ILE HA A 19 PRO HDx 1.0 1.8 3.51 1722 1677 A 18 ILE HB A 19 PRO HDy 1.0 1.8 5.55 1723 1677 A 18 ILE HB A 19 PRO HDx 1.0 1.8 5.55 1724 1678 A 18 ILE HG2% A 18 ILE HG1x 1.0 1.8 3.51 1725 1678 A 18 ILE HG2% A 18 ILE HG1y 1.0 1.8 3.51 1726 1679 A 18 ILE HG2% A 19 PRO HGx 1.0 1.8 5.28 1727 1679 A 18 ILE HG2% A 19 PRO HGy 1.0 1.8 5.28 1728 1680 A 18 ILE HG2% A 19 PRO HDy 1.0 1.8 3.57 1729 1680 A 18 ILE HG2% A 19 PRO HDx 1.0 1.8 3.57 1730 1681 A 18 ILE HG1y A 19 PRO HDy 1.0 1.8 4.80 1731 1681 A 18 ILE HG1x A 19 PRO HDy 1.0 1.8 4.80 1732 1681 A 19 PRO HDx A 18 ILE HG1x 1.0 1.8 4.80 1733 1681 A 18 ILE HG1y A 19 PRO HDx 1.0 1.8 4.80 1734 1682 A 19 PRO HA A 20 ARG HBy 1.0 1.8 5.28 1735 1682 A 19 PRO HA A 20 ARG HBx 1.0 1.8 5.28 1736 1683 A 22 THR HG2% A 19 PRO HGx 1.0 1.8 3.85 1737 1683 A 22 THR HG2% A 19 PRO HGy 1.0 1.8 3.85 1738 1684 A 22 THR HG2% A 19 PRO HDy 1.0 1.8 4.82 1739 1684 A 22 THR HG2% A 19 PRO HDx 1.0 1.8 4.82 1740 1685 A 20 ARG H A 20 ARG HBy 1.0 1.8 3.55 1741 1685 A 20 ARG H A 20 ARG HBx 1.0 1.8 3.55 1742 1686 A 20 ARG H A 20 ARG HGx 1.0 1.8 5.22 1743 1686 A 20 ARG H A 20 ARG HGy 1.0 1.8 5.22 1744 1687 A 20 ARG HA A 20 ARG HDx 1.0 1.8 4.08 1745 1687 A 20 ARG HA A 20 ARG HDy 1.0 1.8 4.08 1746 1688 A 20 ARG HBx A 20 ARG HDx 1.0 1.8 3.82 1747 1688 A 20 ARG HBy A 20 ARG HDx 1.0 1.8 3.82 1748 1688 A 20 ARG HDy A 20 ARG HBy 1.0 1.8 3.82 1749 1688 A 20 ARG HDy A 20 ARG HBx 1.0 1.8 3.82 1750 1689 A 20 ARG HE A 20 ARG HBy 1.0 1.8 5.08 1751 1689 A 20 ARG HE A 20 ARG HBx 1.0 1.8 5.08 1752 1690 A 21 GLU H A 20 ARG HBy 1.0 1.8 4.37 1753 1690 A 21 GLU H A 20 ARG HBx 1.0 1.8 4.37 1754 1691 A 20 ARG HH1x A 20 ARG HGx 1.0 1.8 4.73 1755 1691 A 20 ARG HH1x A 20 ARG HGy 1.0 1.8 4.73 1756 1692 A 21 GLU H A 20 ARG HGx 1.0 1.8 5.60 1757 1692 A 21 GLU H A 20 ARG HGy 1.0 1.8 5.60 1758 1693 A 23 ILE HD1% A 20 ARG HDx 1.0 1.8 4.24 1759 1693 A 23 ILE HD1% A 20 ARG HDy 1.0 1.8 4.24 1760 1694 A 24 THR HG2% A 27 SER HBx 1.0 1.8 5.39 1761 1694 A 24 THR HG2% A 27 SER HBy 1.0 1.8 5.39 1762 1695 A 26 GLU H A 25 PRO HBx 1.0 1.8 4.36 1763 1695 A 26 GLU H A 25 PRO HBy 1.0 1.8 4.36 1764 1696 A 78 LYS H A 25 PRO HBx 1.0 1.8 4.37 1765 1696 A 78 LYS H A 25 PRO HBy 1.0 1.8 4.37 1766 1697 A 25 PRO HBy A 78 LYS HBx 1.0 1.8 4.22 1767 1697 A 78 LYS HBy A 25 PRO HBx 1.0 1.8 4.22 1768 1697 A 78 LYS HBy A 25 PRO HBy 1.0 1.8 4.22 1769 1697 A 25 PRO HBx A 78 LYS HBx 1.0 1.8 4.22 1770 1698 A 25 PRO HBy A 78 LYS HGy 1.0 1.8 4.78 1771 1698 A 25 PRO HBx A 78 LYS HGy 1.0 1.8 4.78 1772 1698 A 78 LYS HGx A 25 PRO HBx 1.0 1.8 4.78 1773 1698 A 25 PRO HBy A 78 LYS HGx 1.0 1.8 4.78 1774 1699 A 78 LYS HDx A 25 PRO HBx 1.0 1.8 5.19 1775 1699 A 78 LYS HDx A 25 PRO HBy 1.0 1.8 5.19 1776 1700 A 26 GLU H A 26 GLU HBy 1.0 1.8 3.67 1777 1700 A 26 GLU H A 26 GLU HBx 1.0 1.8 3.67 1778 1701 A 26 GLU H A 26 GLU HGx 1.0 1.8 3.65 1779 1701 A 26 GLU H A 26 GLU HGy 1.0 1.8 3.65 1780 1702 A 26 GLU HA A 78 LYS HEy 1.0 1.8 4.70 1781 1702 A 26 GLU HA A 78 LYS HEx 1.0 1.8 4.70 1782 1703 A 27 SER H A 26 GLU HBy 1.0 1.8 4.49 1783 1703 A 27 SER H A 26 GLU HBx 1.0 1.8 4.49 1784 1704 A 27 SER H A 26 GLU HGx 1.0 1.8 4.73 1785 1704 A 27 SER H A 26 GLU HGy 1.0 1.8 4.73 1786 1705 A 27 SER H A 27 SER HBx 1.0 1.8 3.74 1787 1705 A 27 SER H A 27 SER HBy 1.0 1.8 3.74 1788 1706 A 32 ASP HBx A 27 SER HBx 1.0 1.8 6.14 1789 1706 A 32 ASP HBx A 27 SER HBy 1.0 1.8 6.14 1790 1707 A 33 LEU HDx% A 27 SER HBx 1.0 1.8 4.75 1791 1707 A 33 LEU HDx% A 27 SER HBy 1.0 1.8 4.75 1792 1708 A 77 LEU HDx% A 27 SER HBx 1.0 1.8 5.22 1793 1708 A 77 LEU HDx% A 27 SER HBy 1.0 1.8 5.22 1794 1709 A 28 HIS HBy A 31 ASP HBx 1.0 1.8 5.21 1795 1709 A 28 HIS HBy A 31 ASP HBy 1.0 1.8 5.21 1796 1710 A 28 HIS HBx A 31 ASP HBx 1.0 1.8 4.65 1797 1710 A 28 HIS HBx A 31 ASP HBy 1.0 1.8 4.65 1798 1711 A 28 HIS HE1 A 30 ILE HG1x 1.0 1.8 3.96 1799 1711 A 28 HIS HE1 A 30 ILE HG1y 1.0 1.8 3.96 1800 1712 A 29 ALA HB% A 30 ILE HG1x 1.0 1.8 4.00 1801 1712 A 29 ALA HB% A 30 ILE HG1y 1.0 1.8 4.00 1802 1713 A 29 ALA HB% A 75 PHE HBy 1.0 1.8 4.26 1803 1713 A 29 ALA HB% A 75 PHE HBx 1.0 1.8 4.26 1804 1714 A 30 ILE HA A 30 ILE HG1x 1.0 1.8 4.11 1805 1714 A 30 ILE HA A 30 ILE HG1y 1.0 1.8 4.11 1806 1715 A 30 ILE HG2% A 30 ILE HG1x 1.0 1.8 3.88 1807 1715 A 30 ILE HG2% A 30 ILE HG1y 1.0 1.8 3.88 1808 1716 A 75 PHE HEy A 30 ILE HG1x 1.0 1.8 4.86 1809 1716 A 75 PHE HEy A 30 ILE HG1y 1.0 1.8 4.86 1810 1717 A 75 PHE HDy A 30 ILE HG1x 1.0 1.8 3.96 1811 1717 A 75 PHE HDy A 30 ILE HG1y 1.0 1.8 3.96 1812 1718 A 37 SER H A 36 ASP HBx 1.0 1.8 4.00 1813 1718 A 37 SER H A 36 ASP HBy 1.0 1.8 4.00 1814 1719 A 36 ASP HBx A 37 SER HBy 1.0 1.8 5.96 1815 1719 A 36 ASP HBy A 37 SER HBy 1.0 1.8 5.96 1816 1719 A 37 SER HBx A 36 ASP HBx 1.0 1.8 5.96 1817 1719 A 36 ASP HBy A 37 SER HBx 1.0 1.8 5.96 1818 1720 A 38 LEU H A 36 ASP HBx 1.0 1.8 5.37 1819 1720 A 38 LEU H A 36 ASP HBy 1.0 1.8 5.37 1820 1721 A 38 LEU HBy A 36 ASP HBx 1.0 1.8 3.90 1821 1721 A 38 LEU HBy A 36 ASP HBy 1.0 1.8 3.90 1822 1722 A 38 LEU HDx% A 36 ASP HBx 1.0 1.8 5.05 1823 1722 A 38 LEU HDx% A 36 ASP HBy 1.0 1.8 5.05 1824 1723 A 38 LEU HDy% A 36 ASP HBx 1.0 1.8 5.35 1825 1723 A 38 LEU HDy% A 36 ASP HBy 1.0 1.8 5.35 1826 1724 A 40 PHE H A 36 ASP HBx 1.0 1.8 5.61 1827 1724 A 40 PHE H A 36 ASP HBy 1.0 1.8 5.61 1828 1725 A 38 LEU H A 37 SER HBy 1.0 1.8 5.08 1829 1725 A 38 LEU H A 37 SER HBx 1.0 1.8 5.08 1830 1726 A 38 LEU HA A 41 LEU HBx 1.0 1.8 5.20 1831 1726 A 38 LEU HA A 41 LEU HBy 1.0 1.8 5.20 1832 1727 A 41 LEU H A 41 LEU HBx 1.0 1.8 3.97 1833 1727 A 41 LEU H A 41 LEU HBy 1.0 1.8 3.97 1834 1728 A 41 LEU HDx% A 41 LEU HBx 1.0 1.8 3.47 1835 1728 A 41 LEU HDx% A 41 LEU HBy 1.0 1.8 3.47 1836 1729 A 42 ASP H A 41 LEU HBx 1.0 1.8 4.70 1837 1729 A 42 ASP H A 41 LEU HBy 1.0 1.8 4.70 1838 1730 A 42 ASP HA A 41 LEU HBx 1.0 1.8 4.81 1839 1730 A 42 ASP HA A 41 LEU HBy 1.0 1.8 4.81 1840 1731 A 43 ILE H A 42 ASP HBx 1.0 1.8 4.49 1841 1731 A 43 ILE H A 42 ASP HBy 1.0 1.8 4.49 1842 1732 A 45 PHE HA A 49 LYS HDx 1.0 1.8 6.14 1843 1732 A 45 PHE HA A 49 LYS HDy 1.0 1.8 6.14 1844 1733 A 45 PHE HDx A 49 LYS HDx 1.0 1.8 4.44 1845 1733 A 45 PHE HDx A 49 LYS HDy 1.0 1.8 4.44 1846 1734 A 45 PHE HDx A 49 LYS HEx 1.0 1.8 6.10 1847 1734 A 45 PHE HDx A 49 LYS HEy 1.0 1.8 6.10 1848 1735 A 45 PHE HEx A 49 LYS HDx 1.0 1.8 5.23 1849 1735 A 49 LYS HDy A 45 PHE HEx 1.0 1.8 5.23 1850 1736 A 45 PHE HEx A 49 LYS HEx 1.0 1.8 6.14 1851 1736 A 49 LYS HEy A 45 PHE HEx 1.0 1.8 6.14 1852 1737 A 47 ILE HG2% A 84 ILE HG1x 1.0 1.8 4.31 1853 1737 A 47 ILE HG2% A 84 ILE HG1y 1.0 1.8 4.31 1854 1738 A 49 LYS HA A 49 LYS HDx 1.0 1.8 5.39 1855 1738 A 49 LYS HA A 49 LYS HDy 1.0 1.8 5.39 1856 1739 A 49 LYS HA A 49 LYS HEx 1.0 1.8 5.55 1857 1739 A 49 LYS HA A 49 LYS HEy 1.0 1.8 5.55 1858 1740 A 49 LYS HBx A 49 LYS HDx 1.0 1.8 3.90 1859 1740 A 49 LYS HBx A 49 LYS HDy 1.0 1.8 3.90 1860 1741 A 49 LYS HBy A 49 LYS HDx 1.0 1.8 3.99 1861 1741 A 49 LYS HBy A 49 LYS HDy 1.0 1.8 3.99 1862 1742 A 49 LYS HBy A 49 LYS HEx 1.0 1.8 5.43 1863 1742 A 49 LYS HBy A 49 LYS HEy 1.0 1.8 5.43 1864 1743 A 51 PHE HBx A 91 LYS HEy 1.0 1.8 5.98 1865 1743 A 51 PHE HBx A 91 LYS HEx 1.0 1.8 5.98 1866 1744 A 52 GLY HAx A 91 LYS HEy 1.0 1.8 6.14 1867 1744 A 52 GLY HAx A 91 LYS HEx 1.0 1.8 6.14 1868 1745 A 53 ILE HA A 54 LYS HBx 1.0 1.8 5.28 1869 1745 A 53 ILE HA A 54 LYS HBy 1.0 1.8 5.28 1870 1746 A 53 ILE HB A 54 LYS HBx 1.0 1.8 6.14 1871 1746 A 53 ILE HB A 54 LYS HBy 1.0 1.8 6.14 1872 1747 A 53 ILE HB A 87 LEU HBy 1.0 1.8 4.63 1873 1747 A 53 ILE HB A 87 LEU HBx 1.0 1.8 4.63 1874 1748 A 53 ILE HG2% A 87 LEU HBy 1.0 1.8 4.38 1875 1748 A 53 ILE HG2% A 87 LEU HBx 1.0 1.8 4.38 1876 1749 A 53 ILE HG2% A 91 LYS HGx 1.0 1.8 5.43 1877 1749 A 53 ILE HG2% A 91 LYS HGy 1.0 1.8 5.43 1878 1750 A 53 ILE HG2% A 91 LYS HDx 1.0 1.8 4.14 1879 1750 A 53 ILE HG2% A 91 LYS HDy 1.0 1.8 4.14 1880 1751 A 53 ILE HG2% A 91 LYS HEy 1.0 1.8 4.45 1881 1751 A 53 ILE HG2% A 91 LYS HEx 1.0 1.8 4.45 1882 1752 A 53 ILE HD1% A 84 ILE HG1x 1.0 1.8 3.88 1883 1752 A 53 ILE HD1% A 84 ILE HG1y 1.0 1.8 3.88 1884 1753 A 54 LYS H A 54 LYS HBx 1.0 1.8 3.66 1885 1753 A 54 LYS H A 54 LYS HBy 1.0 1.8 3.66 1886 1754 A 54 LYS H A 54 LYS HGx 1.0 1.8 4.95 1887 1754 A 54 LYS H A 54 LYS HGy 1.0 1.8 4.95 1888 1755 A 54 LYS HA A 54 LYS HGx 1.0 1.8 3.96 1889 1755 A 54 LYS HA A 54 LYS HGy 1.0 1.8 3.96 1890 1756 A 54 LYS HA A 54 LYS HDy 1.0 1.8 5.50 1891 1756 A 54 LYS HA A 54 LYS HDx 1.0 1.8 5.50 1892 1757 A 55 LEU H A 54 LYS HBx 1.0 1.8 5.11 1893 1757 A 55 LEU H A 54 LYS HBy 1.0 1.8 5.11 1894 1758 A 54 LYS HEy A 54 LYS HGx 1.0 1.8 3.81 1895 1758 A 54 LYS HEx A 54 LYS HGx 1.0 1.8 3.81 1896 1758 A 54 LYS HGy A 54 LYS HEy 1.0 1.8 3.81 1897 1758 A 54 LYS HGy A 54 LYS HEx 1.0 1.8 3.81 1898 1759 A 55 LEU HDx% A 84 ILE HG1x 1.0 1.8 4.77 1899 1759 A 55 LEU HDx% A 84 ILE HG1y 1.0 1.8 4.77 1900 1760 A 56 PRO HGx A 59 LYS HEy 1.0 1.8 6.01 1901 1760 A 56 PRO HGx A 59 LYS HEx 1.0 1.8 6.01 1902 1761 A 57 LEU HA A 60 TRP HBy 1.0 1.8 4.59 1903 1761 A 57 LEU HA A 60 TRP HBx 1.0 1.8 4.59 1904 1762 A 57 LEU HDx% A 60 TRP HBy 1.0 1.8 5.27 1905 1762 A 57 LEU HDx% A 60 TRP HBx 1.0 1.8 5.27 1906 1763 A 59 LYS HA A 59 LYS HDy 1.0 1.8 5.31 1907 1763 A 59 LYS HA A 59 LYS HDx 1.0 1.8 5.31 1908 1764 A 59 LYS HA A 59 LYS HEy 1.0 1.8 6.14 1909 1764 A 59 LYS HA A 59 LYS HEx 1.0 1.8 6.14 1910 1765 A 59 LYS HBx A 59 LYS HDy 1.0 1.8 3.75 1911 1765 A 59 LYS HBx A 59 LYS HDx 1.0 1.8 3.75 1912 1766 A 59 LYS HEx A 59 LYS HGy 1.0 1.8 3.70 1913 1766 A 59 LYS HGx A 59 LYS HEy 1.0 1.8 3.70 1914 1766 A 59 LYS HEx A 59 LYS HGx 1.0 1.8 3.70 1915 1766 A 59 LYS HEy A 59 LYS HGy 1.0 1.8 3.70 1916 1767 A 60 TRP H A 59 LYS HGy 1.0 1.8 5.68 1917 1767 A 60 TRP H A 59 LYS HGx 1.0 1.8 5.68 1918 1768 A 60 TRP HD1 A 59 LYS HGy 1.0 1.8 5.04 1919 1768 A 60 TRP HD1 A 59 LYS HGx 1.0 1.8 5.04 1920 1769 A 59 LYS HGx A 63 GLU HGy 1.0 1.8 5.29 1921 1769 A 59 LYS HGy A 63 GLU HGy 1.0 1.8 5.29 1922 1769 A 63 GLU HGx A 59 LYS HGy 1.0 1.8 5.29 1923 1769 A 59 LYS HGx A 63 GLU HGx 1.0 1.8 5.29 1924 1770 A 59 LYS HEx A 63 GLU HGy 1.0 1.8 5.51 1925 1770 A 59 LYS HEy A 63 GLU HGy 1.0 1.8 5.51 1926 1770 A 63 GLU HGx A 59 LYS HEy 1.0 1.8 5.51 1927 1770 A 59 LYS HEx A 63 GLU HGx 1.0 1.8 5.51 1928 1771 A 61 THR H A 60 TRP HBy 1.0 1.8 4.46 1929 1771 A 61 THR H A 60 TRP HBx 1.0 1.8 4.46 1930 1772 A 60 TRP HZ2 A 83 ARG HBx 1.0 1.8 4.26 1931 1772 A 60 TRP HZ2 A 83 ARG HBy 1.0 1.8 4.26 1932 1773 A 60 TRP HZ2 A 83 ARG HGy 1.0 1.8 5.38 1933 1773 A 60 TRP HZ2 A 83 ARG HGx 1.0 1.8 5.38 1934 1774 A 60 TRP HH2 A 83 ARG HBx 1.0 1.8 3.91 1935 1774 A 60 TRP HH2 A 83 ARG HBy 1.0 1.8 3.91 1936 1775 A 60 TRP HH2 A 83 ARG HGy 1.0 1.8 4.62 1937 1775 A 60 TRP HH2 A 83 ARG HGx 1.0 1.8 4.62 1938 1776 A 61 THR HG2% A 65 ASN HD2y 1.0 1.8 3.71 1939 1776 A 61 THR HG2% A 65 ASN HD2x 1.0 1.8 3.71 1940 1777 A 62 GLN HA A 62 GLN HE2y 1.0 1.8 4.66 1941 1777 A 62 GLN HA A 62 GLN HE2x 1.0 1.8 4.66 1942 1778 A 62 GLN HA A 65 ASN HD2y 1.0 1.8 4.37 1943 1778 A 62 GLN HA A 65 ASN HD2x 1.0 1.8 4.37 1944 1779 A 62 GLN HGx A 62 GLN HE2y 1.0 1.8 3.92 1945 1779 A 62 GLN HGx A 62 GLN HE2x 1.0 1.8 3.92 1946 1780 A 65 ASN HBx A 62 GLN HE2y 1.0 1.8 4.74 1947 1780 A 65 ASN HBx A 62 GLN HE2x 1.0 1.8 4.74 1948 1781 A 63 GLU H A 63 GLU HBy 1.0 1.8 3.62 1949 1781 A 63 GLU H A 63 GLU HBx 1.0 1.8 3.62 1950 1782 A 63 GLU H A 63 GLU HGy 1.0 1.8 3.73 1951 1782 A 63 GLU H A 63 GLU HGx 1.0 1.8 3.73 1952 1783 A 63 GLU HA A 63 GLU HGy 1.0 1.8 4.13 1953 1783 A 63 GLU HA A 63 GLU HGx 1.0 1.8 4.13 1954 1784 A 63 GLU HA A 66 ASP HBx 1.0 1.8 4.54 1955 1784 A 63 GLU HA A 66 ASP HBy 1.0 1.8 4.54 1956 1785 A 63 GLU HA A 68 LYS HEy 1.0 1.8 6.14 1957 1785 A 63 GLU HA A 68 LYS HEx 1.0 1.8 6.14 1958 1786 A 64 VAL HGy% A 63 GLU HBy 1.0 1.8 5.04 1959 1786 A 64 VAL HGy% A 63 GLU HBx 1.0 1.8 5.04 1960 1787 A 65 ASN H A 63 GLU HBy 1.0 1.8 6.14 1961 1787 A 65 ASN H A 63 GLU HBx 1.0 1.8 6.14 1962 1788 A 68 LYS H A 63 GLU HBy 1.0 1.8 5.32 1963 1788 A 68 LYS H A 63 GLU HBx 1.0 1.8 5.32 1964 1789 A 69 ALA HB% A 63 GLU HBy 1.0 1.8 3.75 1965 1789 A 69 ALA HB% A 63 GLU HBx 1.0 1.8 3.75 1966 1790 A 74 TYR HEy A 63 GLU HBy 1.0 1.8 4.67 1967 1790 A 74 TYR HEy A 63 GLU HBx 1.0 1.8 4.67 1968 1791 A 64 VAL H A 63 GLU HGy 1.0 1.8 5.06 1969 1791 A 64 VAL H A 63 GLU HGx 1.0 1.8 5.06 1970 1792 A 68 LYS HBy A 63 GLU HGy 1.0 1.8 5.50 1971 1792 A 68 LYS HBy A 63 GLU HGx 1.0 1.8 5.50 1972 1793 A 69 ALA HB% A 63 GLU HGy 1.0 1.8 5.16 1973 1793 A 69 ALA HB% A 63 GLU HGx 1.0 1.8 5.16 1974 1794 A 65 ASN H A 65 ASN HD2y 1.0 1.8 5.05 1975 1794 A 65 ASN H A 65 ASN HD2x 1.0 1.8 5.05 1976 1795 A 65 ASN HA A 65 ASN HD2y 1.0 1.8 5.36 1977 1795 A 65 ASN HA A 65 ASN HD2x 1.0 1.8 5.36 1978 1796 A 65 ASN HBx A 65 ASN HD2y 1.0 1.8 3.70 1979 1796 A 65 ASN HBx A 65 ASN HD2x 1.0 1.8 3.70 1980 1797 A 65 ASN HBy A 65 ASN HD2y 1.0 1.8 4.00 1981 1797 A 65 ASN HBy A 65 ASN HD2x 1.0 1.8 4.00 1982 1798 A 66 ASP H A 66 ASP HBx 1.0 1.8 3.40 1983 1798 A 66 ASP H A 66 ASP HBy 1.0 1.8 3.40 1984 1799 A 67 GLY H A 66 ASP HBx 1.0 1.8 4.27 1985 1799 A 67 GLY H A 66 ASP HBy 1.0 1.8 4.27 1986 1800 A 68 LYS HBy A 66 ASP HBx 1.0 1.8 4.93 1987 1800 A 68 LYS HBy A 66 ASP HBy 1.0 1.8 4.93 1988 1801 A 68 LYS HGy A 66 ASP HBx 1.0 1.8 5.44 1989 1801 A 68 LYS HGy A 66 ASP HBy 1.0 1.8 5.44 1990 1802 A 68 LYS HGx A 66 ASP HBx 1.0 1.8 5.08 1991 1802 A 68 LYS HGx A 66 ASP HBy 1.0 1.8 5.08 1992 1803 A 66 ASP HBy A 68 LYS HDx 1.0 1.8 5.31 1993 1803 A 66 ASP HBx A 68 LYS HDx 1.0 1.8 5.31 1994 1803 A 68 LYS HDy A 66 ASP HBx 1.0 1.8 5.31 1995 1803 A 66 ASP HBy A 68 LYS HDy 1.0 1.8 5.31 1996 1804 A 66 ASP HBy A 68 LYS HEy 1.0 1.8 5.43 1997 1804 A 66 ASP HBx A 68 LYS HEy 1.0 1.8 5.43 1998 1804 A 68 LYS HEx A 66 ASP HBx 1.0 1.8 5.43 1999 1804 A 66 ASP HBy A 68 LYS HEx 1.0 1.8 5.43 2000 1805 A 68 LYS HA A 67 GLY HAy 1.0 1.8 5.38 2001 1805 A 68 LYS HA A 67 GLY HAx 1.0 1.8 5.38 2002 1806 A 67 GLY HAx A 68 LYS HDx 1.0 1.8 5.96 2003 1806 A 67 GLY HAy A 68 LYS HDx 1.0 1.8 5.96 2004 1806 A 68 LYS HDy A 67 GLY HAy 1.0 1.8 5.96 2005 1806 A 68 LYS HDy A 67 GLY HAx 1.0 1.8 5.96 2006 1807 A 69 ALA H A 67 GLY HAy 1.0 1.8 5.37 2007 1807 A 69 ALA H A 67 GLY HAx 1.0 1.8 5.37 2008 1808 A 68 LYS H A 68 LYS HDx 1.0 1.8 4.72 2009 1808 A 68 LYS H A 68 LYS HDy 1.0 1.8 4.72 2010 1809 A 68 LYS HA A 68 LYS HDx 1.0 1.8 4.01 2011 1809 A 68 LYS HA A 68 LYS HDy 1.0 1.8 4.01 2012 1810 A 68 LYS HA A 68 LYS HEy 1.0 1.8 5.38 2013 1810 A 68 LYS HA A 68 LYS HEx 1.0 1.8 5.38 2014 1811 A 68 LYS HBx A 68 LYS HDx 1.0 1.8 4.13 2015 1811 A 68 LYS HBx A 68 LYS HDy 1.0 1.8 4.13 2016 1812 A 68 LYS HBx A 68 LYS HEy 1.0 1.8 5.45 2017 1812 A 68 LYS HBx A 68 LYS HEx 1.0 1.8 5.45 2018 1813 A 68 LYS HGx A 68 LYS HDx 1.0 1.8 2.97 2019 1813 A 68 LYS HGx A 68 LYS HDy 1.0 1.8 2.97 2020 1814 A 68 LYS HGx A 68 LYS HEy 1.0 1.8 4.20 2021 1814 A 68 LYS HGx A 68 LYS HEx 1.0 1.8 4.20 2022 1815 A 69 ALA HA A 73 GLN HE2y 1.0 1.8 5.22 2023 1815 A 69 ALA HA A 73 GLN HE2x 1.0 1.8 5.22 2024 1816 A 69 ALA HB% A 73 GLN HE2y 1.0 1.8 4.12 2025 1816 A 69 ALA HB% A 73 GLN HE2x 1.0 1.8 4.12 2026 1817 A 70 THR H A 73 GLN HBx 1.0 1.8 5.00 2027 1817 A 70 THR H A 73 GLN HBy 1.0 1.8 5.00 2028 1818 A 70 THR H A 73 GLN HGy 1.0 1.8 6.14 2029 1818 A 70 THR H A 73 GLN HGx 1.0 1.8 6.14 2030 1819 A 72 GLU HA A 75 PHE HBy 1.0 1.8 5.18 2031 1819 A 72 GLU HA A 75 PHE HBx 1.0 1.8 5.18 2032 1820 A 73 GLN H A 73 GLN HGy 1.0 1.8 5.00 2033 1820 A 73 GLN H A 73 GLN HGx 1.0 1.8 5.00 2034 1821 A 73 GLN HA A 79 ASN HBx 1.0 1.8 4.92 2035 1821 A 73 GLN HA A 79 ASN HBy 1.0 1.8 4.92 2036 1822 A 74 TYR H A 73 GLN HBx 1.0 1.8 4.80 2037 1822 A 74 TYR H A 73 GLN HBy 1.0 1.8 4.80 2038 1823 A 74 TYR HA A 83 ARG HGy 1.0 1.8 5.68 2039 1823 A 74 TYR HA A 83 ARG HGx 1.0 1.8 5.68 2040 1824 A 74 TYR HDx A 83 ARG HBx 1.0 1.8 5.52 2041 1824 A 74 TYR HDx A 83 ARG HBy 1.0 1.8 5.52 2042 1825 A 74 TYR HDx A 83 ARG HGy 1.0 1.8 3.88 2043 1825 A 74 TYR HDx A 83 ARG HGx 1.0 1.8 3.88 2044 1826 A 74 TYR HEx A 83 ARG HGy 1.0 1.8 5.24 2045 1826 A 74 TYR HEx A 83 ARG HGx 1.0 1.8 5.24 2046 1827 A 75 PHE H A 75 PHE HBy 1.0 1.8 4.24 2047 1827 A 75 PHE H A 75 PHE HBx 1.0 1.8 4.24 2048 1828 A 76 VAL H A 79 ASN HBx 1.0 1.8 4.90 2049 1828 A 76 VAL H A 79 ASN HBy 1.0 1.8 4.90 2050 1829 A 76 VAL HB A 79 ASN HBx 1.0 1.8 5.29 2051 1829 A 76 VAL HB A 79 ASN HBy 1.0 1.8 5.29 2052 1830 A 76 VAL HGx% A 78 LYS HBx 1.0 1.8 4.66 2053 1830 A 76 VAL HGx% A 78 LYS HBy 1.0 1.8 4.66 2054 1831 A 76 VAL HGx% A 78 LYS HGy 1.0 1.8 3.35 2055 1831 A 76 VAL HGx% A 78 LYS HGx 1.0 1.8 3.35 2056 1832 A 76 VAL HGx% A 78 LYS HEy 1.0 1.8 4.07 2057 1832 A 76 VAL HGx% A 78 LYS HEx 1.0 1.8 4.07 2058 1833 A 76 VAL HGx% A 79 ASN HBx 1.0 1.8 5.28 2059 1833 A 76 VAL HGx% A 79 ASN HBy 1.0 1.8 5.28 2060 1834 A 78 LYS H A 78 LYS HGy 1.0 1.8 3.94 2061 1834 A 78 LYS H A 78 LYS HGx 1.0 1.8 3.94 2062 1835 A 78 LYS HDy A 78 LYS HBx 1.0 1.8 4.09 2063 1835 A 78 LYS HDy A 78 LYS HBy 1.0 1.8 4.09 2064 1836 A 78 LYS HBy A 78 LYS HEy 1.0 1.8 5.21 2065 1836 A 78 LYS HBx A 78 LYS HEy 1.0 1.8 5.21 2066 1836 A 78 LYS HEx A 78 LYS HBx 1.0 1.8 5.21 2067 1836 A 78 LYS HBy A 78 LYS HEx 1.0 1.8 5.21 2068 1837 A 79 ASN H A 78 LYS HBx 1.0 1.8 4.65 2069 1837 A 79 ASN H A 78 LYS HBy 1.0 1.8 4.65 2070 1838 A 78 LYS HEx A 78 LYS HGy 1.0 1.8 3.60 2071 1838 A 78 LYS HGx A 78 LYS HEy 1.0 1.8 3.60 2072 1838 A 78 LYS HGx A 78 LYS HEx 1.0 1.8 3.60 2073 1838 A 78 LYS HEy A 78 LYS HGy 1.0 1.8 3.60 2074 1839 A 79 ASN H A 78 LYS HGy 1.0 1.8 4.54 2075 1839 A 79 ASN H A 78 LYS HGx 1.0 1.8 4.54 2076 1840 A 79 ASN H A 78 LYS HEy 1.0 1.8 4.99 2077 1840 A 79 ASN H A 78 LYS HEx 1.0 1.8 4.99 2078 1841 A 79 ASN HD2x A 78 LYS HEy 1.0 1.8 5.19 2079 1841 A 79 ASN HD2x A 78 LYS HEx 1.0 1.8 5.19 2080 1842 A 80 LEU H A 79 ASN HBx 1.0 1.8 4.80 2081 1842 A 80 LEU H A 79 ASN HBy 1.0 1.8 4.80 2082 1843 A 80 LEU HA A 79 ASN HBx 1.0 1.8 5.84 2083 1843 A 80 LEU HA A 79 ASN HBy 1.0 1.8 5.84 2084 1844 A 80 LEU HA A 83 ARG HGy 1.0 1.8 5.14 2085 1844 A 80 LEU HA A 83 ARG HGx 1.0 1.8 5.14 2086 1845 A 80 LEU HDx% A 83 ARG HBx 1.0 1.8 4.31 2087 1845 A 80 LEU HDx% A 83 ARG HBy 1.0 1.8 4.31 2088 1846 A 80 LEU HDx% A 84 ILE HG1x 1.0 1.8 4.23 2089 1846 A 80 LEU HDx% A 84 ILE HG1y 1.0 1.8 4.23 2090 1847 A 82 ALA HA A 85 ASP HBx 1.0 1.8 4.09 2091 1847 A 82 ALA HA A 85 ASP HBy 1.0 1.8 4.09 2092 1848 A 83 ARG H A 83 ARG HBx 1.0 1.8 4.19 2093 1848 A 83 ARG H A 83 ARG HBy 1.0 1.8 4.19 2094 1849 A 83 ARG H A 83 ARG HGy 1.0 1.8 3.96 2095 1849 A 83 ARG H A 83 ARG HGx 1.0 1.8 3.96 2096 1850 A 83 ARG HDx A 83 ARG HBx 1.0 1.8 4.21 2097 1850 A 83 ARG HDx A 83 ARG HBy 1.0 1.8 4.21 2098 1851 A 83 ARG HE A 83 ARG HBx 1.0 1.8 5.37 2099 1851 A 83 ARG HE A 83 ARG HBy 1.0 1.8 5.37 2100 1852 A 84 ILE H A 83 ARG HBx 1.0 1.8 4.44 2101 1852 A 84 ILE H A 83 ARG HBy 1.0 1.8 4.44 2102 1853 A 84 ILE HA A 83 ARG HBx 1.0 1.8 5.32 2103 1853 A 84 ILE HA A 83 ARG HBy 1.0 1.8 5.32 2104 1854 A 84 ILE H A 84 ILE HG1x 1.0 1.8 3.89 2105 1854 A 84 ILE H A 84 ILE HG1y 1.0 1.8 3.89 2106 1855 A 84 ILE HA A 84 ILE HG1x 1.0 1.8 3.86 2107 1855 A 84 ILE HA A 84 ILE HG1y 1.0 1.8 3.86 2108 1856 A 84 ILE HG2% A 87 LEU HBy 1.0 1.8 5.30 2109 1856 A 84 ILE HG2% A 87 LEU HBx 1.0 1.8 5.30 2110 1857 A 85 ASP H A 84 ILE HG1x 1.0 1.8 5.35 2111 1857 A 85 ASP H A 84 ILE HG1y 1.0 1.8 5.35 2112 1858 A 87 LEU HDx% A 84 ILE HG1x 1.0 1.8 4.70 2113 1858 A 87 LEU HDx% A 84 ILE HG1y 1.0 1.8 4.70 2114 1859 A 85 ASP H A 85 ASP HBx 1.0 1.8 3.63 2115 1859 A 85 ASP H A 85 ASP HBy 1.0 1.8 3.63 2116 1860 A 86 GLU H A 85 ASP HBx 1.0 1.8 4.24 2117 1860 A 86 GLU H A 85 ASP HBy 1.0 1.8 4.24 2118 1861 A 86 GLU HA A 86 GLU HGx 1.0 1.8 3.98 2119 1861 A 86 GLU HA A 86 GLU HGy 1.0 1.8 3.98 2120 1862 A 87 LEU H A 86 GLU HGx 1.0 1.8 5.36 2121 1862 A 87 LEU H A 86 GLU HGy 1.0 1.8 5.36 2122 1863 A 89 ALA HB% A 86 GLU HGx 1.0 1.8 5.70 2123 1863 A 89 ALA HB% A 86 GLU HGy 1.0 1.8 5.70 2124 1864 A 87 LEU H A 87 LEU HBy 1.0 1.8 4.12 2125 1864 A 87 LEU H A 87 LEU HBx 1.0 1.8 4.12 2126 1865 A 87 LEU HDx% A 87 LEU HBy 1.0 1.8 3.80 2127 1865 A 87 LEU HDx% A 87 LEU HBx 1.0 1.8 3.80 2128 1866 A 88 VAL H A 87 LEU HBy 1.0 1.8 4.50 2129 1866 A 88 VAL H A 87 LEU HBx 1.0 1.8 4.50 2130 1867 A 88 VAL HGx% A 87 LEU HBy 1.0 1.8 5.40 2131 1867 A 88 VAL HGx% A 87 LEU HBx 1.0 1.8 5.40 2132 1868 A 88 VAL HA A 91 LYS HGx 1.0 1.8 4.93 2133 1868 A 88 VAL HA A 91 LYS HGy 1.0 1.8 4.93 2134 1869 A 88 VAL HA A 91 LYS HDx 1.0 1.8 4.80 2135 1869 A 88 VAL HA A 91 LYS HDy 1.0 1.8 4.80 2136 1870 A 88 VAL HA A 91 LYS HEy 1.0 1.8 4.72 2137 1870 A 88 VAL HA A 91 LYS HEx 1.0 1.8 4.72 2138 1871 A 88 VAL HGx% A 91 LYS HEy 1.0 1.8 4.92 2139 1871 A 88 VAL HGx% A 91 LYS HEx 1.0 1.8 4.92 2140 1872 A 89 ALA HA A 91 LYS HEy 1.0 1.8 6.14 2141 1872 A 89 ALA HA A 91 LYS HEx 1.0 1.8 6.14 2142 1873 A 91 LYS H A 91 LYS HGx 1.0 1.8 3.81 2143 1873 A 91 LYS H A 91 LYS HGy 1.0 1.8 3.81 2144 1874 A 91 LYS HBy A 91 LYS HDx 1.0 1.8 4.28 2145 1874 A 91 LYS HBy A 91 LYS HDy 1.0 1.8 4.28 2146 1875 A 91 LYS HBy A 91 LYS HEy 1.0 1.8 5.54 2147 1875 A 91 LYS HBy A 91 LYS HEx 1.0 1.8 5.54 2148 1876 A 91 LYS HBx A 91 LYS HEy 1.0 1.8 5.09 2149 1876 A 91 LYS HBx A 91 LYS HEx 1.0 1.8 5.09 2150 1877 A 91 LYS HEy A 91 LYS HGx 1.0 1.8 3.62 2151 1877 A 91 LYS HEx A 91 LYS HGx 1.0 1.8 3.62 2152 1877 A 91 LYS HGy A 91 LYS HEy 1.0 1.8 3.62 2153 1877 A 91 LYS HEx A 91 LYS HGy 1.0 1.8 3.62 2154 1878 A 92 GLY H A 91 LYS HGx 1.0 1.8 4.19 2155 1878 A 92 GLY H A 91 LYS HGy 1.0 1.8 4.19 2156 1879 A 92 GLY HAx A 91 LYS HGx 1.0 1.8 6.14 2157 1879 A 92 GLY HAx A 91 LYS HGy 1.0 1.8 6.14 2158 1880 A 92 GLY HAy A 95 GLU HBx 1.0 1.8 5.23 2159 1880 A 92 GLY HAy A 95 GLU HBy 1.0 1.8 5.23 2160 1881 A 93 ALA HA A 95 GLU HBx 1.0 1.8 6.04 2161 1881 A 93 ALA HA A 95 GLU HBy 1.0 1.8 6.04 2162 1882 A 95 GLU H A 94 LEU HBx 1.0 1.8 4.17 2163 1882 A 95 GLU H A 94 LEU HBy 1.0 1.8 4.17 2164 1883 A 95 GLU H A 95 GLU HBx 1.0 1.8 3.39 2165 1883 A 95 GLU H A 95 GLU HBy 1.0 1.8 3.39 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 THR N A 2 THR CA A 2 THR C 1.0 -149.4 -40.8 PHI 2 2 A 2 THR N A 2 THR CA A 2 THR C A 3 SER N 1.0 103.5 155.4 PSI 3 3 A 2 THR C A 3 SER N A 3 SER CA A 3 SER C 1.0 -144.9 -40.7 PHI 4 4 A 3 SER N A 3 SER CA A 3 SER C A 4 THR N 1.0 97.9 192.3 PSI 5 5 A 3 SER C A 4 THR N A 4 THR CA A 4 THR C 1.0 -79.9 -39.9 PHI 6 6 A 4 THR N A 4 THR CA A 4 THR C A 5 PHE N 1.0 -60.7 -10.4 PSI 7 7 A 4 THR C A 5 PHE N A 5 PHE CA A 5 PHE C 1.0 -80.1 -40.1 PHI 8 8 A 5 PHE N A 5 PHE CA A 5 PHE C A 6 ASP N 1.0 -67.6 -27.6 PSI 9 9 A 5 PHE C A 6 ASP N A 6 ASP CA A 6 ASP C 1.0 -77.2 -37.2 PHI 10 10 A 6 ASP N A 6 ASP CA A 6 ASP C A 7 ARG N 1.0 -66.1 -26.1 PSI 11 11 A 6 ASP C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -86.0 -46.0 PHI 12 12 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 VAL N 1.0 -60.3 -20.3 PSI 13 13 A 7 ARG C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -83.9 -43.9 PHI 14 14 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 ALA N 1.0 -64.8 -24.8 PSI 15 15 A 8 VAL C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -81.7 -41.7 PHI 16 16 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 THR N 1.0 -61.7 -21.7 PSI 17 17 A 9 ALA C A 10 THR N A 10 THR CA A 10 THR C 1.0 -85.4 -45.4 PHI 18 18 A 10 THR N A 10 THR CA A 10 THR C A 11 ILE N 1.0 -63.2 -23.2 PSI 19 19 A 10 THR C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -82.2 -42.2 PHI 20 20 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 ILE N 1.0 -60.4 -20.4 PSI 21 21 A 11 ILE C A 12 ILE N A 12 ILE CA A 12 ILE C 1.0 -85.6 -45.6 PHI 22 22 A 12 ILE N A 12 ILE CA A 12 ILE C A 13 ALA N 1.0 -64.4 -24.4 PSI 23 23 A 12 ILE C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -77.8 -37.8 PHI 24 24 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 GLU N 1.0 -64.5 -24.5 PSI 25 25 A 13 ALA C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -86.5 -46.5 PHI 26 26 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 THR N 1.0 -62.0 -20.0 PSI 27 27 A 14 GLU C A 15 THR N A 15 THR CA A 15 THR C 1.0 -88.4 -45.6 PHI 28 28 A 15 THR N A 15 THR CA A 15 THR C A 16 CYS N 1.0 -62.0 -22.0 PSI 29 29 A 15 THR C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -117.0 -77.0 PHI 30 30 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 ASP N 1.0 -18.0 22.0 PSI 31 31 A 17 ASP C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -169.4 -78.0 PHI 32 32 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 PRO N 1.0 55.8 182.3 PSI 33 33 A 19 PRO N A 19 PRO CA A 19 PRO C A 20 ARG N 1.0 119.9 159.9 PSI 34 34 A 19 PRO C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -76.3 -36.3 PHI 35 35 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 GLU N 1.0 -56.3 -16.3 PSI 36 36 A 20 ARG C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -89.7 -49.7 PHI 37 37 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 THR N 1.0 -49.1 6.5 PSI 38 38 A 21 GLU C A 22 THR N A 22 THR CA A 22 THR C 1.0 -122.4 -81.2 PHI 39 39 A 22 THR N A 22 THR CA A 22 THR C A 23 ILE N 1.0 -34.3 26.8 PSI 40 40 A 22 THR C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -129.9 -31.2 PHI 41 41 A 23 ILE N A 23 ILE CA A 23 ILE C A 24 THR N 1.0 104.5 166.3 PSI 42 42 A 23 ILE C A 24 THR N A 24 THR CA A 24 THR C 1.0 -151.9 -47.5 PHI 43 43 A 24 THR N A 24 THR CA A 24 THR C A 25 PRO N 1.0 109.6 187.9 PSI 44 44 A 25 PRO N A 25 PRO CA A 25 PRO C A 26 GLU N 1.0 -41.6 -1.6 PSI 45 45 A 25 PRO C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -111.4 -71.4 PHI 46 46 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 SER N 1.0 -27.7 19.8 PSI 47 47 A 26 GLU C A 27 SER N A 27 SER CA A 27 SER C 1.0 -138.2 -3.9 PHI 48 48 A 27 SER N A 27 SER CA A 27 SER C A 28 HIS N 1.0 52.2 188.0 PSI 49 49 A 27 SER C A 28 HIS N A 28 HIS CA A 28 HIS C 1.0 -151.1 -21.5 PHI 50 50 A 28 HIS N A 28 HIS CA A 28 HIS C A 29 ALA N 1.0 89.4 156.9 PSI 51 51 A 28 HIS C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -76.0 -36.0 PHI 52 52 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 ILE N 1.0 -64.0 -18.0 PSI 53 53 A 29 ALA C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -85.3 -45.3 PHI 54 54 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 ASP N 1.0 -61.5 -6.1 PSI 55 55 A 34 GLY C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -144.2 -4.2 PHI 56 56 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 ASP N 1.0 99.9 169.3 PSI 57 57 A 35 ILE C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -129.0 -46.0 PHI 58 58 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 SER N 1.0 142.6 187.5 PSI 59 59 A 36 ASP C A 37 SER N A 37 SER CA A 37 SER C 1.0 -79.2 -39.2 PHI 60 60 A 37 SER N A 37 SER CA A 37 SER C A 38 LEU N 1.0 -58.6 -18.6 PSI 61 61 A 37 SER C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -85.0 -45.0 PHI 62 62 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 ASP N 1.0 -60.7 -20.7 PSI 63 63 A 38 LEU C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -83.8 -43.8 PHI 64 64 A 39 ASP N A 39 ASP CA A 39 ASP C A 40 PHE N 1.0 -62.8 -22.8 PSI 65 65 A 39 ASP C A 40 PHE N A 40 PHE CA A 40 PHE C 1.0 -83.0 -43.0 PHI 66 66 A 40 PHE N A 40 PHE CA A 40 PHE C A 41 LEU N 1.0 -65.2 -25.2 PSI 67 67 A 40 PHE C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -80.6 -40.6 PHI 68 68 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 ASP N 1.0 -64.6 -24.6 PSI 69 69 A 41 LEU C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -86.3 -46.3 PHI 70 70 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 ILE N 1.0 -57.1 -16.5 PSI 71 71 A 42 ASP C A 43 ILE N A 43 ILE CA A 43 ILE C 1.0 -85.4 -45.4 PHI 72 72 A 43 ILE N A 43 ILE CA A 43 ILE C A 44 ALA N 1.0 -62.9 -22.9 PSI 73 73 A 43 ILE C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -81.0 -41.0 PHI 74 74 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 PHE N 1.0 -60.9 -20.9 PSI 75 75 A 44 ALA C A 45 PHE N A 45 PHE CA A 45 PHE C 1.0 -84.4 -44.4 PHI 76 76 A 45 PHE N A 45 PHE CA A 45 PHE C A 46 ALA N 1.0 -63.3 -23.3 PSI 77 77 A 45 PHE C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -84.8 -44.8 PHI 78 78 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 ILE N 1.0 -59.3 -19.3 PSI 79 79 A 46 ALA C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -89.1 -49.1 PHI 80 80 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 ASP N 1.0 -61.2 -21.2 PSI 81 81 A 47 ILE C A 48 ASP N A 48 ASP CA A 48 ASP C 1.0 -80.5 -40.5 PHI 82 82 A 48 ASP N A 48 ASP CA A 48 ASP C A 49 LYS N 1.0 -64.2 -24.2 PSI 83 83 A 48 ASP C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -82.9 -42.9 PHI 84 84 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 ALA N 1.0 -59.4 -16.8 PSI 85 85 A 49 LYS C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -88.1 -45.8 PHI 86 86 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 PHE N 1.0 -58.0 -18.0 PSI 87 87 A 50 ALA C A 51 PHE N A 51 PHE CA A 51 PHE C 1.0 -146.8 -63.4 PHI 88 88 A 51 PHE N A 51 PHE CA A 51 PHE C A 52 GLY N 1.0 -27.0 16.1 PSI 89 89 A 51 PHE C A 52 GLY N A 52 GLY CA A 52 GLY C 1.0 47.3 91.3 PHI 90 90 A 52 GLY N A 52 GLY CA A 52 GLY C A 53 ILE N 1.0 -11.6 73.6 PSI 91 91 A 52 GLY C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -183.7 -69.8 PHI 92 92 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 LYS N 1.0 136.6 187.4 PSI 93 93 A 53 ILE C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -139.0 -56.0 PHI 94 94 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 LEU N 1.0 88.5 152.6 PSI 95 95 A 54 LYS C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -134.0 -56.9 PHI 96 96 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 PRO N 1.0 85.5 160.4 PSI 97 97 A 56 PRO N A 56 PRO CA A 56 PRO C A 57 LEU N 1.0 86.9 191.6 PSI 98 98 A 56 PRO C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -74.7 -34.7 PHI 99 99 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 GLU N 1.0 -61.0 -19.9 PSI 100 100 A 57 LEU C A 58 GLU N A 58 GLU CA A 58 GLU C 1.0 -81.6 -41.6 PHI 101 101 A 58 GLU N A 58 GLU CA A 58 GLU C A 59 LYS N 1.0 -59.8 -19.8 PSI 102 102 A 58 GLU C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -84.9 -44.9 PHI 103 103 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 TRP N 1.0 -59.2 -19.2 PSI 104 104 A 59 LYS C A 60 TRP N A 60 TRP CA A 60 TRP C 1.0 -82.1 -42.1 PHI 105 105 A 60 TRP N A 60 TRP CA A 60 TRP C A 61 THR N 1.0 -63.7 -23.7 PSI 106 106 A 60 TRP C A 61 THR N A 61 THR CA A 61 THR C 1.0 -84.0 -44.0 PHI 107 107 A 61 THR N A 61 THR CA A 61 THR C A 62 GLN N 1.0 -59.0 -19.0 PSI 108 108 A 61 THR C A 62 GLN N A 62 GLN CA A 62 GLN C 1.0 -84.3 -44.3 PHI 109 109 A 62 GLN N A 62 GLN CA A 62 GLN C A 63 GLU N 1.0 -61.8 -21.8 PSI 110 110 A 62 GLN C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -86.3 -46.3 PHI 111 111 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 VAL N 1.0 -59.1 -19.1 PSI 112 112 A 63 GLU C A 64 VAL N A 64 VAL CA A 64 VAL C 1.0 -85.9 -45.9 PHI 113 113 A 64 VAL N A 64 VAL CA A 64 VAL C A 65 ASN N 1.0 -62.5 -22.5 PSI 114 114 A 64 VAL C A 65 ASN N A 65 ASN CA A 65 ASN C 1.0 -85.7 -45.7 PHI 115 115 A 65 ASN N A 65 ASN CA A 65 ASN C A 66 ASP N 1.0 -47.8 -7.8 PSI 116 116 A 65 ASN C A 66 ASP N A 66 ASP CA A 66 ASP C 1.0 -111.6 -70.5 PHI 117 117 A 66 ASP N A 66 ASP CA A 66 ASP C A 67 GLY N 1.0 -18.3 21.7 PSI 118 118 A 66 ASP C A 67 GLY N A 67 GLY CA A 67 GLY C 1.0 56.3 116.7 PHI 119 119 A 67 GLY N A 67 GLY CA A 67 GLY C A 68 LYS N 1.0 -16.1 46.6 PSI 120 120 A 68 LYS C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -173.8 -88.1 PHI 121 121 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 THR N 1.0 126.5 186.2 PSI 122 122 A 69 ALA C A 70 THR N A 70 THR CA A 70 THR C 1.0 -130.9 -56.7 PHI 123 123 A 70 THR N A 70 THR CA A 70 THR C A 71 THR N 1.0 144.7 184.7 PSI 124 124 A 70 THR C A 71 THR N A 71 THR CA A 71 THR C 1.0 -79.3 -39.3 PHI 125 125 A 71 THR N A 71 THR CA A 71 THR C A 72 GLU N 1.0 -55.8 -15.8 PSI 126 126 A 71 THR C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 -87.5 -47.5 PHI 127 127 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 GLN N 1.0 -62.9 -18.9 PSI 128 128 A 72 GLU C A 73 GLN N A 73 GLN CA A 73 GLN C 1.0 -102.4 -38.4 PHI 129 129 A 73 GLN N A 73 GLN CA A 73 GLN C A 74 TYR N 1.0 -57.1 -2.5 PSI 130 130 A 76 VAL C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -80.0 -40.0 PHI 131 131 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 LYS N 1.0 -61.3 -21.3 PSI 132 132 A 77 LEU C A 78 LYS N A 78 LYS CA A 78 LYS C 1.0 -80.3 -40.3 PHI 133 133 A 78 LYS N A 78 LYS CA A 78 LYS C A 79 ASN N 1.0 -68.4 -5.6 PSI 134 134 A 78 LYS C A 79 ASN N A 79 ASN CA A 79 ASN C 1.0 -86.4 -46.4 PHI 135 135 A 79 ASN N A 79 ASN CA A 79 ASN C A 80 LEU N 1.0 -62.3 -22.3 PSI 136 136 A 79 ASN C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -82.1 -42.1 PHI 137 137 A 80 LEU N A 80 LEU CA A 80 LEU C A 81 ALA N 1.0 -61.5 -21.5 PSI 138 138 A 80 LEU C A 81 ALA N A 81 ALA CA A 81 ALA C 1.0 -80.1 -40.1 PHI 139 139 A 81 ALA N A 81 ALA CA A 81 ALA C A 82 ALA N 1.0 -60.9 -20.9 PSI 140 140 A 81 ALA C A 82 ALA N A 82 ALA CA A 82 ALA C 1.0 -82.9 -42.9 PHI 141 141 A 82 ALA N A 82 ALA CA A 82 ALA C A 83 ARG N 1.0 -62.2 -22.2 PSI 142 142 A 82 ALA C A 83 ARG N A 83 ARG CA A 83 ARG C 1.0 -83.3 -43.3 PHI 143 143 A 83 ARG N A 83 ARG CA A 83 ARG C A 84 ILE N 1.0 -62.2 -22.2 PSI 144 144 A 83 ARG C A 84 ILE N A 84 ILE CA A 84 ILE C 1.0 -83.7 -43.7 PHI 145 145 A 84 ILE N A 84 ILE CA A 84 ILE C A 85 ASP N 1.0 -61.8 -21.8 PSI 146 146 A 84 ILE C A 85 ASP N A 85 ASP CA A 85 ASP C 1.0 -81.4 -41.4 PHI 147 147 A 85 ASP N A 85 ASP CA A 85 ASP C A 86 GLU N 1.0 -59.6 -19.6 PSI 148 148 A 85 ASP C A 86 GLU N A 86 GLU CA A 86 GLU C 1.0 -84.7 -44.7 PHI 149 149 A 86 GLU N A 86 GLU CA A 86 GLU C A 87 LEU N 1.0 -59.9 -19.9 PSI 150 150 A 86 GLU C A 87 LEU N A 87 LEU CA A 87 LEU C 1.0 -86.2 -46.2 PHI 151 151 A 87 LEU N A 87 LEU CA A 87 LEU C A 88 VAL N 1.0 -62.7 -16.9 PSI 152 152 A 87 LEU C A 88 VAL N A 88 VAL CA A 88 VAL C 1.0 -90.4 -45.3 PHI 153 153 A 88 VAL N A 88 VAL CA A 88 VAL C A 89 ALA N 1.0 -60.9 -20.9 PSI 154 154 A 88 VAL C A 89 ALA N A 89 ALA CA A 89 ALA C 1.0 -85.3 -45.3 PHI 155 155 A 89 ALA N A 89 ALA CA A 89 ALA C A 90 ALA N 1.0 -61.1 -21.1 PSI 156 156 A 89 ALA C A 90 ALA N A 90 ALA CA A 90 ALA C 1.0 -84.3 -44.3 PHI 157 157 A 90 ALA N A 90 ALA CA A 90 ALA C A 91 LYS N 1.0 -59.9 -19.9 PSI 158 158 A 90 ALA C A 91 LYS N A 91 LYS CA A 91 LYS C 1.0 -86.8 -46.8 PHI 159 159 A 91 LYS N A 91 LYS CA A 91 LYS C A 92 GLY N 1.0 -55.6 -12.9 PSI 160 160 A 91 LYS C A 92 GLY N A 92 GLY CA A 92 GLY C 1.0 -86.5 -46.5 PHI 161 161 A 92 GLY N A 92 GLY CA A 92 GLY C A 93 ALA N 1.0 -54.3 -14.0 PSI 162 162 A 92 GLY C A 93 ALA N A 93 ALA CA A 93 ALA C 1.0 -86.5 -44.7 PHI 163 163 A 93 ALA N A 93 ALA CA A 93 ALA C A 94 LEU N 1.0 -63.4 -14.0 PSI 164 164 A 93 ALA C A 94 LEU N A 94 LEU CA A 94 LEU C 1.0 -101.5 -38.0 PHI 165 165 A 94 LEU N A 94 LEU CA A 94 LEU C A 95 GLU N 1.0 -77.1 16.3 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 7 ARG N A 7 ARG H 1.0 . . . 2 2 A 8 VAL N A 8 VAL H 1.0 . . . 3 3 A 9 ALA N A 9 ALA H 1.0 . . . 4 4 A 10 THR N A 10 THR H 1.0 . . . 5 5 A 11 ILE N A 11 ILE H 1.0 . . . 6 6 A 12 ILE N A 12 ILE H 1.0 . . . 7 7 A 13 ALA N A 13 ALA H 1.0 . . . 8 8 A 14 GLU N A 14 GLU H 1.0 . . . 9 9 A 15 THR N A 15 THR H 1.0 . . . 10 10 A 16 CYS N A 16 CYS H 1.0 . . . 11 11 A 17 ASP N A 17 ASP H 1.0 . . . 12 12 A 23 ILE N A 23 ILE H 1.0 . . . 13 13 A 26 GLU N A 26 GLU H 1.0 . . . 14 14 A 27 SER N A 27 SER H 1.0 . . . 15 15 A 28 HIS N A 28 HIS H 1.0 . . . 16 16 A 29 ALA N A 29 ALA H 1.0 . . . 17 17 A 36 ASP N A 36 ASP H 1.0 . . . 18 18 A 37 SER N A 37 SER H 1.0 . . . 19 19 A 41 LEU N A 41 LEU H 1.0 . . . 20 20 A 44 ALA N A 44 ALA H 1.0 . . . 21 21 A 45 PHE N A 45 PHE H 1.0 . . . 22 22 A 46 ALA N A 46 ALA H 1.0 . . . 23 23 A 48 ASP N A 48 ASP H 1.0 . . . 24 24 A 49 LYS N A 49 LYS H 1.0 . . . 25 25 A 51 PHE N A 51 PHE H 1.0 . . . 26 26 A 57 LEU N A 57 LEU H 1.0 . . . 27 27 A 58 GLU N A 58 GLU H 1.0 . . . 28 28 A 59 LYS N A 59 LYS H 1.0 . . . 29 29 A 61 THR N A 61 THR H 1.0 . . . 30 30 A 62 GLN N A 62 GLN H 1.0 . . . 31 31 A 63 GLU N A 63 GLU H 1.0 . . . 32 32 A 64 VAL N A 64 VAL H 1.0 . . . 33 33 A 65 ASN N A 65 ASN H 1.0 . . . 34 34 A 66 ASP N A 66 ASP H 1.0 . . . 35 35 A 67 GLY N A 67 GLY H 1.0 . . . 36 36 A 68 LYS N A 68 LYS H 1.0 . . . 37 37 A 69 ALA N A 69 ALA H 1.0 . . . 38 38 A 70 THR N A 70 THR H 1.0 . . . 39 39 A 71 THR N A 71 THR H 1.0 . . . 40 40 A 72 GLU N A 72 GLU H 1.0 . . . 41 41 A 74 TYR N A 74 TYR H 1.0 . . . 42 42 A 75 PHE N A 75 PHE H 1.0 . . . 43 43 A 77 LEU N A 77 LEU H 1.0 . . . 44 44 A 78 LYS N A 78 LYS H 1.0 . . . 45 45 A 79 ASN N A 79 ASN H 1.0 . . . 46 46 A 80 LEU N A 80 LEU H 1.0 . . . 47 47 A 81 ALA N A 81 ALA H 1.0 . . . 48 48 A 82 ALA N A 82 ALA H 1.0 . . . 49 49 A 83 ARG N A 83 ARG H 1.0 . . . 50 50 A 84 ILE N A 84 ILE H 1.0 . . . 51 51 A 85 ASP N A 85 ASP H 1.0 . . . 52 52 A 86 GLU N A 86 GLU H 1.0 . . . 53 53 A 87 LEU N A 87 LEU H 1.0 . . . 54 54 A 88 VAL N A 88 VAL H 1.0 . . . 55 55 A 89 ALA N A 89 ALA H 1.0 . . . 56 56 A 90 ALA N A 90 ALA H 1.0 . . . 57 57 A 91 LYS N A 91 LYS H 1.0 . . . 58 58 A 92 GLY N A 92 GLY H 1.0 . . . 59 59 A 93 ALA N A 93 ALA H 1.0 . . . 60 60 A 94 LEU N A 94 LEU H 1.0 . . . 61 61 A 4 THR N A 3 SER C 1.0 . . . 62 62 A 5 PHE N A 4 THR C 1.0 . . . 63 63 A 7 ARG N A 6 ASP C 1.0 . . . 64 64 A 8 VAL N A 7 ARG C 1.0 . . . 65 65 A 9 ALA N A 8 VAL C 1.0 . . . 66 66 A 10 THR N A 9 ALA C 1.0 . . . 67 67 A 11 ILE N A 10 THR C 1.0 . . . 68 68 A 12 ILE N A 11 ILE C 1.0 . . . 69 69 A 13 ALA N A 12 ILE C 1.0 . . . 70 70 A 14 GLU N A 13 ALA C 1.0 . . . 71 71 A 15 THR N A 14 GLU C 1.0 . . . 72 72 A 16 CYS N A 15 THR C 1.0 . . . 73 73 A 28 HIS N A 27 SER C 1.0 . . . 74 74 A 29 ALA N A 28 HIS C 1.0 . . . 75 75 A 38 LEU N A 37 SER C 1.0 . . . 76 76 A 41 LEU N A 40 PHE C 1.0 . . . 77 77 A 42 ASP N A 41 LEU C 1.0 . . . 78 78 A 44 ALA N A 43 ILE C 1.0 . . . 79 79 A 45 PHE N A 44 ALA C 1.0 . . . 80 80 A 46 ALA N A 45 PHE C 1.0 . . . 81 81 A 48 ASP N A 47 ILE C 1.0 . . . 82 82 A 49 LYS N A 48 ASP C 1.0 . . . 83 83 A 50 ALA N A 49 LYS C 1.0 . . . 84 84 A 51 PHE N A 50 ALA C 1.0 . . . 85 85 A 52 GLY N A 51 PHE C 1.0 . . . 86 86 A 53 ILE N A 52 GLY C 1.0 . . . 87 87 A 55 LEU N A 54 LYS C 1.0 . . . 88 88 A 57 LEU N A 56 PRO C 1.0 . . . 89 89 A 58 GLU N A 57 LEU C 1.0 . . . 90 90 A 59 LYS N A 58 GLU C 1.0 . . . 91 91 A 61 THR N A 60 TRP C 1.0 . . . 92 92 A 62 GLN N A 61 THR C 1.0 . . . 93 93 A 64 VAL N A 63 GLU C 1.0 . . . 94 94 A 65 ASN N A 64 VAL C 1.0 . . . 95 95 A 66 ASP N A 65 ASN C 1.0 . . . 96 96 A 67 GLY N A 66 ASP C 1.0 . . . 97 97 A 69 ALA N A 68 LYS C 1.0 . . . 98 98 A 70 THR N A 69 ALA C 1.0 . . . 99 99 A 71 THR N A 70 THR C 1.0 . . . 100 100 A 72 GLU N A 71 THR C 1.0 . . . 101 101 A 73 GLN N A 72 GLU C 1.0 . . . 102 102 A 74 TYR N A 73 GLN C 1.0 . . . 103 103 A 75 PHE N A 74 TYR C 1.0 . . . 104 104 A 76 VAL N A 75 PHE C 1.0 . . . 105 105 A 77 LEU N A 76 VAL C 1.0 . . . 106 106 A 78 LYS N A 77 LEU C 1.0 . . . 107 107 A 79 ASN N A 78 LYS C 1.0 . . . 108 108 A 80 LEU N A 79 ASN C 1.0 . . . 109 109 A 81 ALA N A 80 LEU C 1.0 . . . 110 110 A 82 ALA N A 81 ALA C 1.0 . . . 111 111 A 83 ARG N A 82 ALA C 1.0 . . . 112 112 A 84 ILE N A 83 ARG C 1.0 . . . 113 113 A 85 ASP N A 84 ILE C 1.0 . . . 114 114 A 86 GLU N A 85 ASP C 1.0 . . . 115 115 A 87 LEU N A 86 GLU C 1.0 . . . 116 116 A 88 VAL N A 87 LEU C 1.0 . . . 117 117 A 89 ALA N A 88 VAL C 1.0 . . . 118 118 A 90 ALA N A 89 ALA C 1.0 . . . 119 119 A 91 LYS N A 90 ALA C 1.0 . . . 120 120 A 92 GLY N A 91 LYS C 1.0 . . . 121 121 A 93 ALA N A 92 GLY C 1.0 . . . 122 122 A 94 LEU N A 93 ALA C 1.0 . . . stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 14 2 13C 75 3 1H 14 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 14 2 13C 50 3 1H 14 stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 14 2 15N 100 3 1H 14 stop_ save_