data_nef_c30492_6e26 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6E26 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 SER middle . . 3 A 3 ASP middle . . 4 A 4 TYR middle . . 5 A 5 GLU middle . . 6 A 6 ASN middle . . 7 A 7 ASP middle . . 8 A 8 ASP middle . . 9 A 9 GLU middle . . 10 A 10 CYS middle . . 11 A 11 TRP middle . . 12 A 12 SER middle . . 13 A 13 VAL middle . . 14 A 14 LEU middle . . 15 A 15 GLU middle . . 16 A 16 GLY middle . false 17 A 17 PHE middle . . 18 A 18 ARG middle . . 19 A 19 VAL middle . . 20 A 20 THR middle . . 21 A 21 LEU middle . . 22 A 22 THR middle . . 23 A 23 SER middle . . 24 A 24 VAL middle . . 25 A 25 ILE middle . . 26 A 26 ASP middle . . 27 A 27 PRO middle . false 28 A 28 SER middle . . 29 A 29 ARG middle . . 30 A 30 ILE middle . . 31 A 31 THR middle . . 32 A 32 PRO middle . false 33 A 33 TYR middle . . 34 A 34 LEU middle . . 35 A 35 ARG middle . . 36 A 36 GLN middle . . 37 A 37 CYS middle . . 38 A 38 LYS middle . . 39 A 39 VAL middle . . 40 A 40 LEU middle . . 41 A 41 ASN middle . . 42 A 42 PRO middle . false 43 A 43 ASP middle . . 44 A 44 ASP middle . . 45 A 45 GLU middle . . 46 A 46 GLU middle . . 47 A 47 GLN middle . . 48 A 48 VAL middle . . 49 A 49 LEU middle . . 50 A 50 SER middle . . 51 A 51 ASP middle . . 52 A 52 PRO middle . false 53 A 53 ASN middle . . 54 A 54 LEU middle . . 55 A 55 VAL middle . . 56 A 56 ILE middle . . 57 A 57 ARG middle . . 58 A 58 LYS middle . . 59 A 59 ARG middle . . 60 A 60 LYS middle . . 61 A 61 VAL middle . . 62 A 62 GLY middle . false 63 A 63 VAL middle . . 64 A 64 LEU middle . . 65 A 65 LEU middle . . 66 A 66 ASP middle . . 67 A 67 ILE middle . . 68 A 68 LEU middle . . 69 A 69 GLN middle . . 70 A 70 ARG middle . . 71 A 71 THR middle . . 72 A 72 GLY middle . false 73 A 73 HIS middle . . 74 A 74 LYS middle . . 75 A 75 GLY middle . false 76 A 76 TYR middle . . 77 A 77 VAL middle . . 78 A 78 ALA middle . . 79 A 79 PHE middle . . 80 A 80 LEU middle . . 81 A 81 GLU middle . . 82 A 82 SER middle . . 83 A 83 LEU middle . . 84 A 84 GLU middle . . 85 A 85 LEU middle . . 86 A 86 TYR middle . . 87 A 87 TYR middle . . 88 A 88 PRO middle . false 89 A 89 GLN middle . . 90 A 90 LEU middle . . 91 A 91 TYR middle . . 92 A 92 LYS middle . . 93 A 93 LYS middle . . 94 A 94 VAL middle . . 95 A 95 THR middle . . 96 A 96 GLY middle . false 97 A 97 LYS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 SER HA H 1 4.500 0.008 A 2 SER HBx H 1 3.835 0.011 A 2 SER HBy H 1 3.835 0.01 A 2 SER C C 13 174.217 . A 2 SER CA C 13 58.478 0.106 A 2 SER CB C 13 63.814 0.037 A 3 ASP H H 1 8.154 0.001 A 3 ASP HA H 1 4.533 0.006 A 3 ASP HBx H 1 2.501 0.018 A 3 ASP HBy H 1 2.577 0.015 A 3 ASP C C 13 175.793 . A 3 ASP CA C 13 54.919 0.097 A 3 ASP CB C 13 41.116 0.09 A 3 ASP N N 15 121.631 0.017 A 4 TYR H H 1 7.896 0.002 A 4 TYR HA H 1 4.571 0.011 A 4 TYR HBy H 1 3.083 0.02 A 4 TYR HBx H 1 2.932 0.014 A 4 TYR HD1 H 1 7.121 0.022 A 4 TYR HD2 H 1 7.121 0.022 A 4 TYR HE1 H 1 6.861 0.011 A 4 TYR HE2 H 1 6.861 0.011 A 4 TYR CA C 13 57.784 0.1 A 4 TYR CB C 13 38.764 0.076 A 4 TYR CD1 C 13 133.268 0.082 A 4 TYR CD2 C 13 133.268 0.082 A 4 TYR CE1 C 13 118.213 0.088 A 4 TYR CE2 C 13 118.213 0.088 A 4 TYR N N 15 118.975 0.068 A 5 GLU H H 1 8.183 0.007 A 5 GLU HA H 1 4.216 0.006 A 5 GLU HBx H 1 1.888 0.006 A 5 GLU HBy H 1 1.984 0.015 A 5 GLU HGx H 1 2.190 0.008 A 5 GLU HGy H 1 2.190 0.008 A 5 GLU C C 13 175.954 0.01 A 5 GLU CA C 13 56.700 0.066 A 5 GLU CB C 13 30.389 0.087 A 5 GLU CG C 13 36.294 0.028 A 5 GLU N N 15 121.735 0.039 A 6 ASN H H 1 8.205 0.001 A 6 ASN HA H 1 4.692 0.009 A 6 ASN HBy H 1 2.819 0.021 A 6 ASN HBx H 1 2.760 0.015 A 6 ASN HD21 H 1 6.901 0.001 A 6 ASN HD22 H 1 7.599 0.002 A 6 ASN C C 13 175.135 0.002 A 6 ASN CA C 13 53.322 0.052 A 6 ASN CB C 13 39.331 0.079 A 6 ASN N N 15 118.955 0.013 A 6 ASN ND2 N 15 113.097 0.038 A 7 ASP H H 1 8.372 0.002 A 7 ASP HA H 1 4.610 0.011 A 7 ASP HBx H 1 2.679 0.012 A 7 ASP HBy H 1 2.742 0.024 A 7 ASP C C 13 176.255 0.004 A 7 ASP CA C 13 55.260 0.017 A 7 ASP CB C 13 41.430 0.026 A 7 ASP N N 15 121.547 0.035 A 8 ASP H H 1 8.339 0.004 A 8 ASP HA H 1 4.690 0.011 A 8 ASP HBx H 1 2.782 0.013 A 8 ASP HBy H 1 2.787 0.012 A 8 ASP C C 13 177.539 0.006 A 8 ASP CA C 13 55.418 0.073 A 8 ASP CB C 13 41.453 0.032 A 8 ASP N N 15 119.585 0.036 A 9 GLU H H 1 8.364 0.004 A 9 GLU HA H 1 4.286 0.013 A 9 GLU HBx H 1 2.033 0.003 A 9 GLU HBy H 1 2.136 0.02 A 9 GLU HGx H 1 2.278 0.009 A 9 GLU HGy H 1 2.311 0.011 A 9 GLU C C 13 177.766 0.008 A 9 GLU CA C 13 57.837 0.056 A 9 GLU CB C 13 29.666 0.103 A 9 GLU CG C 13 36.368 0.108 A 9 GLU N N 15 121.316 0.031 A 10 CYS H H 1 7.881 0.006 A 10 CYS HA H 1 3.950 0.004 A 10 CYS HBy H 1 2.265 0.008 A 10 CYS HBx H 1 1.723 0.015 A 10 CYS C C 13 175.445 0.005 A 10 CYS CA C 13 59.947 0.065 A 10 CYS CB C 13 26.321 0.086 A 10 CYS N N 15 118.477 0.052 A 11 TRP H H 1 7.708 0.007 A 11 TRP HA H 1 4.291 0.01 A 11 TRP HBy H 1 3.432 0.007 A 11 TRP HBx H 1 3.236 0.005 A 11 TRP HD1 H 1 7.431 0.011 A 11 TRP HE1 H 1 9.652 0.004 A 11 TRP HE3 H 1 7.711 0.01 A 11 TRP HH2 H 1 6.556 0.008 A 11 TRP HZ2 H 1 7.014 0.009 A 11 TRP HZ3 H 1 6.629 0.014 A 11 TRP C C 13 178.613 0.004 A 11 TRP CA C 13 60.710 0.089 A 11 TRP CB C 13 29.127 0.065 A 11 TRP CD1 C 13 127.454 0.193 A 11 TRP CE3 C 13 120.628 0.149 A 11 TRP CH2 C 13 124.677 0.064 A 11 TRP CZ2 C 13 114.557 0.149 A 11 TRP CZ3 C 13 121.926 0.133 A 11 TRP N N 15 120.157 0.056 A 11 TRP NE1 N 15 128.148 0.025 A 12 SER H H 1 8.256 0.01 A 12 SER HA H 1 4.309 0.015 A 12 SER HBx H 1 4.051 0.004 A 12 SER HBy H 1 4.051 0.004 A 12 SER C C 13 177.211 . A 12 SER CA C 13 61.863 0.061 A 12 SER CB C 13 62.721 0.08 A 12 SER N N 15 116.697 0.039 A 13 VAL H H 1 7.610 0.008 A 13 VAL HA H 1 3.950 0.003 A 13 VAL HB H 1 2.303 0.007 A 13 VAL HG1% H 1 1.093 0.007 A 13 VAL HG2% H 1 1.103 0.006 A 13 VAL C C 13 178.438 0.008 A 13 VAL CA C 13 65.165 0.114 A 13 VAL CB C 13 31.888 0.04 A 13 VAL CG1 C 13 21.193 0.067 A 13 VAL CG2 C 13 22.042 0.072 A 13 VAL N N 15 120.924 0.036 A 14 LEU H H 1 7.561 0.004 A 14 LEU HA H 1 4.504 0.011 A 14 LEU HBy H 1 2.112 0.012 A 14 LEU HBx H 1 1.851 0.006 A 14 LEU HD1% H 1 0.977 0.013 A 14 LEU HD2% H 1 0.961 0.016 A 14 LEU HG H 1 1.990 0.005 A 14 LEU C C 13 179.172 0.003 A 14 LEU CA C 13 56.530 0.055 A 14 LEU CB C 13 42.053 0.041 A 14 LEU CD1 C 13 26.133 0.075 A 14 LEU CD2 C 13 24.036 0.055 A 14 LEU CG C 13 27.367 0.158 A 14 LEU N N 15 118.388 0.028 A 15 GLU H H 1 8.026 0.007 A 15 GLU HA H 1 4.179 0.007 A 15 GLU HBx H 1 2.147 0.008 A 15 GLU HBy H 1 2.259 0.014 A 15 GLU HGx H 1 2.427 0.008 A 15 GLU HGy H 1 2.427 0.008 A 15 GLU C C 13 179.638 0.001 A 15 GLU CA C 13 59.680 0.042 A 15 GLU CB C 13 29.524 0.041 A 15 GLU CG C 13 35.923 0.038 A 15 GLU N N 15 120.461 0.019 A 16 GLY H H 1 8.150 0.009 A 16 GLY HAy H 1 4.001 0.01 A 16 GLY HAx H 1 3.762 0.009 A 16 GLY C C 13 174.828 0.006 A 16 GLY CA C 13 46.212 0.068 A 16 GLY N N 15 105.789 0.028 A 17 PHE H H 1 7.952 0.007 A 17 PHE HA H 1 5.029 0.007 A 17 PHE HBx H 1 2.893 0.004 A 17 PHE HBy H 1 3.423 0.009 A 17 PHE HD1 H 1 7.334 0.013 A 17 PHE HD2 H 1 7.334 0.013 A 17 PHE C C 13 176.132 0.016 A 17 PHE CA C 13 57.513 0.053 A 17 PHE CB C 13 40.145 0.07 A 17 PHE CD1 C 13 131.857 0.228 A 17 PHE CD2 C 13 131.857 0.228 A 17 PHE N N 15 116.845 0.036 A 18 ARG H H 1 7.787 0.005 A 18 ARG HA H 1 3.799 0.012 A 18 ARG HBx H 1 1.944 0.005 A 18 ARG HBy H 1 2.203 0.014 A 18 ARG HDx H 1 3.255 0.011 A 18 ARG HDy H 1 3.317 0.021 A 18 ARG HGy H 1 1.595 0.011 A 18 ARG HGx H 1 1.575 0.012 A 18 ARG C C 13 178.060 0.0 A 18 ARG CA C 13 62.165 0.054 A 18 ARG CB C 13 30.885 0.074 A 18 ARG CD C 13 43.137 0.086 A 18 ARG CG C 13 29.084 0.052 A 18 ARG N N 15 122.989 0.042 A 19 VAL H H 1 8.650 0.003 A 19 VAL HA H 1 3.705 0.005 A 19 VAL HB H 1 2.119 0.006 A 19 VAL HG1% H 1 0.934 0.019 A 19 VAL HG2% H 1 1.036 0.014 A 19 VAL C C 13 178.407 0.008 A 19 VAL CA C 13 66.909 0.052 A 19 VAL CB C 13 31.096 0.101 A 19 VAL CG1 C 13 20.897 0.052 A 19 VAL CG2 C 13 22.545 0.056 A 19 VAL N N 15 118.554 0.01 A 20 THR H H 1 7.696 0.004 A 20 THR HA H 1 4.028 0.007 A 20 THR HB H 1 4.242 0.009 A 20 THR HG2% H 1 1.235 0.009 A 20 THR C C 13 176.054 0.008 A 20 THR CA C 13 66.933 0.051 A 20 THR CB C 13 69.045 0.098 A 20 THR CG2 C 13 22.064 0.034 A 20 THR N N 15 119.231 0.049 A 21 LEU H H 1 8.583 0.007 A 21 LEU HA H 1 3.899 0.013 A 21 LEU HBy H 1 2.086 0.013 A 21 LEU HBx H 1 1.355 0.015 A 21 LEU HD1% H 1 1.065 0.008 A 21 LEU HD2% H 1 0.938 0.011 A 21 LEU HG H 1 2.074 0.009 A 21 LEU C C 13 178.989 0.005 A 21 LEU CA C 13 58.944 0.095 A 21 LEU CB C 13 42.281 0.066 A 21 LEU CD1 C 13 26.564 0.071 A 21 LEU CD2 C 13 23.562 0.092 A 21 LEU CG C 13 26.705 0.083 A 21 LEU N N 15 118.562 0.014 A 22 THR H H 1 8.535 0.003 A 22 THR HA H 1 3.935 0.01 A 22 THR HB H 1 4.552 0.006 A 22 THR HG2% H 1 1.284 0.009 A 22 THR C C 13 175.343 0.003 A 22 THR CA C 13 64.519 0.068 A 22 THR CB C 13 69.191 0.036 A 22 THR CG2 C 13 21.646 0.073 A 22 THR N N 15 106.374 0.069 A 23 SER H H 1 7.566 0.007 A 23 SER HA H 1 4.445 0.005 A 23 SER HBx H 1 4.007 0.008 A 23 SER HBy H 1 4.104 0.018 A 23 SER C C 13 175.099 . A 23 SER CA C 13 60.955 0.13 A 23 SER CB C 13 64.063 0.076 A 23 SER N N 15 114.616 0.039 A 24 VAL H H 1 7.369 0.003 A 24 VAL HA H 1 4.065 0.008 A 24 VAL HB H 1 1.782 0.007 A 24 VAL HG1% H 1 0.844 0.01 A 24 VAL HG2% H 1 1.015 0.014 A 24 VAL C C 13 175.892 0.001 A 24 VAL CA C 13 64.195 0.065 A 24 VAL CB C 13 34.716 0.041 A 24 VAL CG1 C 13 22.019 0.039 A 24 VAL CG2 C 13 22.279 0.054 A 24 VAL N N 15 118.142 0.057 A 25 ILE H H 1 7.186 0.011 A 25 ILE HA H 1 3.030 0.012 A 25 ILE HB H 1 1.685 0.007 A 25 ILE HD1% H 1 0.735 0.006 A 25 ILE HG1y H 1 1.376 0.005 A 25 ILE HG1x H 1 0.238 0.01 A 25 ILE HG2% H 1 0.521 0.01 A 25 ILE C C 13 174.383 0.001 A 25 ILE CA C 13 63.448 0.071 A 25 ILE CB C 13 38.708 0.078 A 25 ILE CD1 C 13 14.759 0.035 A 25 ILE CG1 C 13 28.447 0.039 A 25 ILE CG2 C 13 16.213 0.068 A 25 ILE N N 15 116.669 0.041 A 26 ASP H H 1 8.020 0.004 A 26 ASP HA H 1 4.988 0.005 A 26 ASP HBy H 1 3.031 0.007 A 26 ASP HBx H 1 2.697 0.015 A 26 ASP C C 13 176.505 . A 26 ASP CA C 13 49.439 0.066 A 26 ASP CB C 13 41.469 0.062 A 26 ASP N N 15 124.490 0.046 A 27 PRO HA H 1 3.970 0.009 A 27 PRO HBy H 1 2.015 0.008 A 27 PRO HBx H 1 2.014 0.008 A 27 PRO HDy H 1 4.180 0.006 A 27 PRO HDx H 1 3.976 0.005 A 27 PRO HGx H 1 1.804 0.013 A 27 PRO HGy H 1 2.163 0.01 A 27 PRO C C 13 177.297 0.0 A 27 PRO CA C 13 65.005 0.058 A 27 PRO CB C 13 31.912 0.07 A 27 PRO CD C 13 50.294 0.057 A 27 PRO CG C 13 27.269 0.106 A 28 SER H H 1 8.174 0.01 A 28 SER HA H 1 4.229 0.006 A 28 SER HBx H 1 3.941 0.009 A 28 SER HBy H 1 3.941 0.009 A 28 SER C C 13 175.118 . A 28 SER CA C 13 61.332 0.076 A 28 SER CB C 13 63.006 0.105 A 28 SER N N 15 113.246 0.046 A 29 ARG H H 1 7.760 0.008 A 29 ARG HA H 1 4.067 0.013 A 29 ARG HBx H 1 1.928 0.006 A 29 ARG HBy H 1 1.928 0.006 A 29 ARG HDx H 1 3.151 0.013 A 29 ARG HDy H 1 3.157 0.013 A 29 ARG HGy H 1 1.559 0.017 A 29 ARG HGx H 1 1.483 0.017 A 29 ARG C C 13 177.180 0.003 A 29 ARG CA C 13 57.224 0.054 A 29 ARG CB C 13 31.146 0.09 A 29 ARG CD C 13 43.029 0.071 A 29 ARG CG C 13 27.036 0.104 A 29 ARG N N 15 118.929 0.033 A 30 ILE H H 1 6.951 0.009 A 30 ILE HA H 1 4.569 0.01 A 30 ILE HB H 1 2.259 0.008 A 30 ILE HD1% H 1 1.060 0.01 A 30 ILE HG1x H 1 1.218 0.011 A 30 ILE HG1y H 1 1.511 0.009 A 30 ILE HG2% H 1 1.028 0.008 A 30 ILE C C 13 175.973 0.002 A 30 ILE CA C 13 61.567 0.062 A 30 ILE CB C 13 39.930 0.075 A 30 ILE CD1 C 13 14.540 0.069 A 30 ILE CG1 C 13 26.460 0.064 A 30 ILE CG2 C 13 18.268 0.048 A 30 ILE N N 15 105.344 0.053 A 31 THR H H 1 8.246 0.008 A 31 THR HA H 1 4.003 0.009 A 31 THR HB H 1 4.244 0.005 A 31 THR HG2% H 1 1.198 0.012 A 31 THR CA C 13 68.670 0.054 A 31 THR CB C 13 67.696 0.102 A 31 THR CG2 C 13 22.690 0.028 A 31 THR N N 15 116.615 0.036 A 32 PRO HA H 1 4.217 0.01 A 32 PRO HBx H 1 1.926 0.006 A 32 PRO HBy H 1 2.327 0.009 A 32 PRO HDx H 1 3.230 0.006 A 32 PRO HDy H 1 4.075 0.008 A 32 PRO HGx H 1 1.877 0.011 A 32 PRO HGy H 1 2.053 0.006 A 32 PRO C C 13 179.813 0.003 A 32 PRO CA C 13 66.944 0.147 A 32 PRO CB C 13 30.676 0.071 A 32 PRO CD C 13 50.851 0.032 A 32 PRO CG C 13 28.837 0.094 A 33 TYR H H 1 7.708 0.006 A 33 TYR HA H 1 4.140 0.008 A 33 TYR HBx H 1 3.063 0.011 A 33 TYR HBy H 1 3.533 0.011 A 33 TYR HD1 H 1 6.986 0.013 A 33 TYR HD2 H 1 6.986 0.013 A 33 TYR HE1 H 1 6.878 0.018 A 33 TYR HE2 H 1 6.878 0.018 A 33 TYR C C 13 177.864 . A 33 TYR CA C 13 62.132 0.048 A 33 TYR CB C 13 39.081 0.063 A 33 TYR CD1 C 13 132.157 0.188 A 33 TYR CD2 C 13 132.157 0.188 A 33 TYR CE1 C 13 119.138 0.164 A 33 TYR CE2 C 13 119.138 0.164 A 33 TYR N N 15 119.284 0.025 A 34 LEU H H 1 7.902 0.005 A 34 LEU HA H 1 3.891 0.009 A 34 LEU HBx H 1 1.301 0.006 A 34 LEU HBy H 1 2.057 0.006 A 34 LEU HD1% H 1 1.088 0.012 A 34 LEU HD2% H 1 1.028 0.008 A 34 LEU HG H 1 2.288 0.005 A 34 LEU C C 13 179.455 0.006 A 34 LEU CA C 13 57.857 0.045 A 34 LEU CB C 13 41.626 0.065 A 34 LEU CD1 C 13 27.706 0.036 A 34 LEU CD2 C 13 22.165 0.111 A 34 LEU CG C 13 26.579 0.033 A 34 LEU N N 15 118.544 0.051 A 35 ARG H H 1 8.782 0.005 A 35 ARG HA H 1 4.377 0.007 A 35 ARG HBx H 1 1.917 0.014 A 35 ARG HBy H 1 1.949 0.012 A 35 ARG HDx H 1 3.042 0.01 A 35 ARG HDy H 1 3.117 0.019 A 35 ARG HGx H 1 1.490 0.011 A 35 ARG HGy H 1 1.732 0.01 A 35 ARG C C 13 181.043 0.001 A 35 ARG CA C 13 58.969 0.086 A 35 ARG CB C 13 29.700 0.028 A 35 ARG CD C 13 43.133 0.098 A 35 ARG CG C 13 27.170 0.104 A 35 ARG N N 15 120.147 0.04 A 36 GLN H H 1 8.171 0.003 A 36 GLN HA H 1 4.075 0.006 A 36 GLN HBx H 1 2.172 0.016 A 36 GLN HBy H 1 2.216 0.016 A 36 GLN HE21 H 1 6.794 0.002 A 36 GLN HE22 H 1 7.255 0.0 A 36 GLN HGy H 1 2.415 0.011 A 36 GLN HGx H 1 2.409 0.009 A 36 GLN C C 13 178.031 0.001 A 36 GLN CA C 13 59.043 0.083 A 36 GLN CB C 13 28.043 0.065 A 36 GLN CG C 13 33.846 . A 36 GLN N N 15 123.408 0.029 A 36 GLN NE2 N 15 111.179 0.035 A 37 CYS H H 1 7.521 0.005 A 37 CYS HA H 1 4.293 0.004 A 37 CYS HBy H 1 2.910 0.009 A 37 CYS HBx H 1 2.802 0.016 A 37 CYS C C 13 173.359 0.002 A 37 CYS CA C 13 60.395 0.084 A 37 CYS CB C 13 27.739 0.064 A 37 CYS N N 15 114.380 0.097 A 38 LYS H H 1 7.911 0.004 A 38 LYS HA H 1 4.022 0.007 A 38 LYS HBx H 1 2.041 0.015 A 38 LYS HBy H 1 2.146 0.008 A 38 LYS HDx H 1 1.668 0.004 A 38 LYS HDy H 1 1.757 0.011 A 38 LYS HE2 H 1 3.033 0.016 A 38 LYS HE3 H 1 3.033 0.016 A 38 LYS HGx H 1 1.359 0.016 A 38 LYS HGy H 1 1.380 0.013 A 38 LYS C C 13 176.127 0.009 A 38 LYS CA C 13 57.504 0.04 A 38 LYS CB C 13 28.429 0.092 A 38 LYS CD C 13 28.994 0.062 A 38 LYS CE C 13 42.621 . A 38 LYS CG C 13 25.135 0.113 A 38 LYS N N 15 112.562 0.03 A 39 VAL H H 1 7.421 0.005 A 39 VAL HA H 1 4.402 0.004 A 39 VAL HB H 1 2.359 0.007 A 39 VAL HG1% H 1 0.880 0.009 A 39 VAL HG2% H 1 0.880 0.009 A 39 VAL C C 13 173.813 0.002 A 39 VAL CA C 13 61.948 0.063 A 39 VAL CB C 13 31.998 0.041 A 39 VAL CG1 C 13 21.426 0.045 A 39 VAL CG2 C 13 21.426 0.045 A 39 VAL N N 15 109.997 0.043 A 40 LEU H H 1 6.684 0.006 A 40 LEU HA H 1 4.669 0.009 A 40 LEU HBx H 1 1.074 0.008 A 40 LEU HBy H 1 1.443 0.008 A 40 LEU HD1% H 1 0.838 0.009 A 40 LEU HD2% H 1 0.802 0.007 A 40 LEU HG H 1 1.497 0.014 A 40 LEU C C 13 175.320 0.003 A 40 LEU CA C 13 52.789 0.056 A 40 LEU CB C 13 46.130 0.038 A 40 LEU CD1 C 13 26.051 0.021 A 40 LEU CD2 C 13 25.583 0.019 A 40 LEU CG C 13 27.191 0.158 A 40 LEU N N 15 118.087 0.045 A 41 ASN H H 1 9.644 0.007 A 41 ASN HA H 1 4.998 0.007 A 41 ASN HBy H 1 2.948 0.021 A 41 ASN HBx H 1 2.861 0.013 A 41 ASN HD21 H 1 6.889 0.003 A 41 ASN HD22 H 1 7.694 0.016 A 41 ASN C C 13 174.662 . A 41 ASN CA C 13 51.518 0.086 A 41 ASN CB C 13 38.289 0.058 A 41 ASN N N 15 125.449 0.052 A 41 ASN ND2 N 15 114.191 0.02 A 42 PRO HA H 1 4.208 0.008 A 42 PRO HBx H 1 1.971 0.003 A 42 PRO HBy H 1 2.383 0.009 A 42 PRO HDx H 1 3.829 0.007 A 42 PRO HDy H 1 3.829 0.007 A 42 PRO HGy H 1 2.198 0.004 A 42 PRO HGx H 1 1.969 0.005 A 42 PRO C C 13 178.502 . A 42 PRO CA C 13 66.309 0.06 A 42 PRO CB C 13 31.873 0.114 A 42 PRO CD C 13 50.698 0.052 A 42 PRO CG C 13 28.094 0.047 A 43 ASP H H 1 8.337 0.01 A 43 ASP HA H 1 4.386 0.004 A 43 ASP HBx H 1 2.637 0.009 A 43 ASP HBy H 1 2.651 0.014 A 43 ASP C C 13 178.520 0.003 A 43 ASP CA C 13 56.764 0.046 A 43 ASP CB C 13 39.830 0.08 A 43 ASP N N 15 116.431 0.065 A 44 ASP H H 1 7.753 0.011 A 44 ASP HA H 1 4.394 0.009 A 44 ASP HBx H 1 2.554 0.007 A 44 ASP HBy H 1 2.905 0.012 A 44 ASP C C 13 177.857 . A 44 ASP CA C 13 56.880 0.043 A 44 ASP CB C 13 42.132 0.076 A 44 ASP N N 15 120.791 0.052 A 45 GLU H H 1 7.811 0.01 A 45 GLU HA H 1 3.676 0.008 A 45 GLU HBx H 1 1.779 0.007 A 45 GLU HBy H 1 2.234 0.005 A 45 GLU HGx H 1 2.032 0.014 A 45 GLU HGy H 1 2.118 0.01 A 45 GLU C C 13 177.668 0.003 A 45 GLU CA C 13 60.136 0.071 A 45 GLU CB C 13 30.241 0.084 A 45 GLU CG C 13 37.137 0.07 A 45 GLU N N 15 118.374 0.051 A 46 GLU H H 1 7.874 0.007 A 46 GLU HA H 1 3.988 0.013 A 46 GLU HBx H 1 2.103 0.012 A 46 GLU HBy H 1 2.103 0.012 A 46 GLU HGx H 1 2.246 0.006 A 46 GLU HGy H 1 2.351 0.011 A 46 GLU C C 13 178.688 0.007 A 46 GLU CA C 13 59.146 0.061 A 46 GLU CB C 13 29.668 0.026 A 46 GLU CG C 13 36.270 0.032 A 46 GLU N N 15 117.504 0.033 A 47 GLN H H 1 7.672 0.004 A 47 GLN HA H 1 4.114 0.009 A 47 GLN HBx H 1 2.200 0.008 A 47 GLN HBy H 1 2.200 0.008 A 47 GLN HE21 H 1 6.708 0.001 A 47 GLN HE22 H 1 7.361 0.001 A 47 GLN HGx H 1 2.384 0.004 A 47 GLN HGy H 1 2.525 0.005 A 47 GLN C C 13 177.089 0.006 A 47 GLN CA C 13 58.300 0.086 A 47 GLN CB C 13 28.942 0.058 A 47 GLN CG C 13 34.217 0.092 A 47 GLN N N 15 117.374 0.03 A 47 GLN NE2 N 15 111.551 0.067 A 48 VAL H H 1 7.525 0.01 A 48 VAL HA H 1 3.902 0.009 A 48 VAL HB H 1 2.171 0.009 A 48 VAL HG1% H 1 0.884 0.006 A 48 VAL HG2% H 1 0.951 0.015 A 48 VAL C C 13 176.164 0.003 A 48 VAL CA C 13 64.123 0.184 A 48 VAL CB C 13 32.487 0.025 A 48 VAL CG1 C 13 22.081 0.029 A 48 VAL CG2 C 13 22.085 0.12 A 48 VAL N N 15 114.847 0.059 A 49 LEU H H 1 7.823 0.006 A 49 LEU HA H 1 4.292 0.007 A 49 LEU HBy H 1 1.777 0.009 A 49 LEU HBx H 1 1.527 0.007 A 49 LEU HD1% H 1 0.868 0.017 A 49 LEU HD2% H 1 0.778 0.006 A 49 LEU HG H 1 1.780 0.006 A 49 LEU C C 13 178.788 . A 49 LEU CA C 13 55.941 0.063 A 49 LEU CB C 13 42.623 0.039 A 49 LEU CD1 C 13 25.630 0.079 A 49 LEU CD2 C 13 22.799 0.042 A 49 LEU CG C 13 26.634 0.068 A 49 LEU N N 15 115.569 0.024 A 50 SER H H 1 7.979 0.008 A 50 SER HA H 1 4.529 0.011 A 50 SER HBy H 1 3.945 0.001 A 50 SER HBx H 1 3.911 0.029 A 50 SER C C 13 173.869 0.029 A 50 SER CA C 13 58.071 0.067 A 50 SER CB C 13 64.446 0.023 A 50 SER N N 15 113.467 0.035 A 51 ASP H H 1 7.943 0.005 A 51 ASP HA H 1 4.872 0.005 A 51 ASP HBx H 1 2.683 0.016 A 51 ASP HBy H 1 2.802 0.012 A 51 ASP C C 13 175.944 . A 51 ASP CA C 13 52.131 0.036 A 51 ASP CB C 13 43.036 0.065 A 51 ASP N N 15 123.307 0.025 A 52 PRO HA H 1 4.363 0.005 A 52 PRO HBy H 1 2.293 0.007 A 52 PRO HBx H 1 1.985 0.005 A 52 PRO HDy H 1 3.887 0.011 A 52 PRO HDx H 1 3.884 0.01 A 52 PRO HGy H 1 2.020 0.012 A 52 PRO HGx H 1 1.939 0.012 A 52 PRO C C 13 177.060 0.004 A 52 PRO CA C 13 64.028 0.125 A 52 PRO CB C 13 32.109 0.031 A 52 PRO CD C 13 51.263 0.06 A 52 PRO CG C 13 26.966 0.058 A 53 ASN H H 1 8.721 0.004 A 53 ASN HA H 1 4.665 0.003 A 53 ASN HBx H 1 2.823 0.013 A 53 ASN HBy H 1 2.825 0.013 A 53 ASN HD21 H 1 6.960 0.001 A 53 ASN HD22 H 1 7.952 0.003 A 53 ASN C C 13 175.621 0.003 A 53 ASN CA C 13 53.898 0.149 A 53 ASN CB C 13 39.171 0.109 A 53 ASN N N 15 116.656 0.043 A 53 ASN ND2 N 15 114.744 0.01 A 54 LEU H H 1 8.092 0.005 A 54 LEU HA H 1 4.365 0.012 A 54 LEU HBx H 1 1.628 0.013 A 54 LEU HBy H 1 1.728 0.003 A 54 LEU HD1% H 1 1.003 0.014 A 54 LEU HD2% H 1 0.917 0.014 A 54 LEU HG H 1 1.592 0.012 A 54 LEU C C 13 176.470 0.017 A 54 LEU CA C 13 55.611 0.04 A 54 LEU CB C 13 42.006 0.03 A 54 LEU CD1 C 13 25.247 0.048 A 54 LEU CD2 C 13 24.219 0.103 A 54 LEU CG C 13 27.118 0.028 A 54 LEU N N 15 124.039 0.044 A 55 VAL H H 1 7.942 0.004 A 55 VAL HA H 1 3.945 0.008 A 55 VAL HB H 1 2.215 0.006 A 55 VAL HG1% H 1 0.945 0.002 A 55 VAL HG2% H 1 0.980 0.002 A 55 VAL C C 13 177.264 0.01 A 55 VAL CA C 13 64.557 0.078 A 55 VAL CB C 13 32.490 0.101 A 55 VAL CG1 C 13 21.318 0.085 A 55 VAL CG2 C 13 21.114 0.008 A 55 VAL N N 15 117.894 0.032 A 56 ILE H H 1 7.647 0.004 A 56 ILE HA H 1 4.213 0.008 A 56 ILE HB H 1 1.995 0.007 A 56 ILE HD1% H 1 0.931 0.011 A 56 ILE HG1x H 1 1.306 0.007 A 56 ILE HG1y H 1 1.568 0.01 A 56 ILE HG2% H 1 1.060 0.009 A 56 ILE C C 13 177.485 . A 56 ILE CA C 13 61.370 0.073 A 56 ILE CB C 13 38.503 0.054 A 56 ILE CD1 C 13 12.524 0.042 A 56 ILE CG1 C 13 27.731 0.048 A 56 ILE CG2 C 13 18.224 0.03 A 56 ILE N N 15 120.023 0.028 A 57 ARG HA H 1 3.879 0.009 A 57 ARG HBx H 1 2.046 0.012 A 57 ARG HBy H 1 2.120 0.012 A 57 ARG HDx H 1 3.306 0.011 A 57 ARG HDy H 1 3.306 0.011 A 57 ARG HGx H 1 1.805 0.011 A 57 ARG HGy H 1 1.863 0.014 A 57 ARG C C 13 178.046 0.0 A 57 ARG CA C 13 60.920 0.048 A 57 ARG CB C 13 30.787 0.125 A 57 ARG CD C 13 43.876 0.026 A 57 ARG CG C 13 26.667 0.048 A 58 LYS H H 1 8.426 0.01 A 58 LYS HA H 1 4.401 0.008 A 58 LYS HBx H 1 1.800 0.011 A 58 LYS HBy H 1 1.811 0.015 A 58 LYS HDy H 1 1.687 0.005 A 58 LYS HDx H 1 1.686 0.004 A 58 LYS HE2 H 1 2.981 0.011 A 58 LYS HE3 H 1 2.981 0.011 A 58 LYS HGx H 1 1.459 0.014 A 58 LYS HGy H 1 1.482 0.018 A 58 LYS C C 13 179.743 0.002 A 58 LYS CA C 13 59.515 0.094 A 58 LYS CB C 13 32.922 0.13 A 58 LYS CD C 13 29.839 0.061 A 58 LYS CE C 13 42.120 0.037 A 58 LYS CG C 13 24.757 0.071 A 58 LYS N N 15 116.267 0.031 A 59 ARG H H 1 7.329 0.004 A 59 ARG HA H 1 4.231 0.009 A 59 ARG HBx H 1 2.022 0.004 A 59 ARG HBy H 1 2.022 0.004 A 59 ARG HDx H 1 3.286 0.015 A 59 ARG HDy H 1 3.286 0.015 A 59 ARG HGx H 1 1.671 0.004 A 59 ARG HGy H 1 1.808 0.001 A 59 ARG C C 13 179.243 . A 59 ARG CA C 13 58.348 0.115 A 59 ARG CB C 13 29.921 0.104 A 59 ARG CD C 13 43.328 0.1 A 59 ARG CG C 13 27.685 0.047 A 59 ARG N N 15 118.394 0.063 A 60 LYS H H 1 8.047 0.011 A 60 LYS HA H 1 4.091 0.01 A 60 LYS HBx H 1 1.947 0.01 A 60 LYS HBy H 1 2.209 0.007 A 60 LYS HDx H 1 1.670 0.016 A 60 LYS HDy H 1 1.778 0.007 A 60 LYS HEy H 1 3.015 0.02 A 60 LYS HEx H 1 2.952 0.011 A 60 LYS HGy H 1 1.643 0.013 A 60 LYS HGx H 1 1.577 0.009 A 60 LYS C C 13 178.701 0.005 A 60 LYS CA C 13 59.630 0.056 A 60 LYS CB C 13 32.861 0.096 A 60 LYS CD C 13 29.635 0.159 A 60 LYS CE C 13 42.699 0.177 A 60 LYS CG C 13 25.614 0.063 A 60 LYS N N 15 120.266 0.027 A 61 VAL H H 1 8.345 0.005 A 61 VAL HA H 1 3.474 0.006 A 61 VAL HB H 1 2.068 0.011 A 61 VAL HG1% H 1 0.869 0.012 A 61 VAL HG2% H 1 1.146 0.01 A 61 VAL C C 13 177.430 0.014 A 61 VAL CA C 13 66.744 0.046 A 61 VAL CB C 13 31.005 0.082 A 61 VAL CG1 C 13 22.013 0.067 A 61 VAL CG2 C 13 24.384 0.065 A 61 VAL N N 15 117.220 0.049 A 62 GLY H H 1 7.776 0.008 A 62 GLY HAx H 1 3.522 0.007 A 62 GLY HAy H 1 3.978 0.008 A 62 GLY C C 13 175.049 0.003 A 62 GLY CA C 13 47.901 0.069 A 62 GLY N N 15 106.931 0.033 A 63 VAL H H 1 7.635 0.003 A 63 VAL HA H 1 3.763 0.005 A 63 VAL HB H 1 2.140 0.006 A 63 VAL HG1% H 1 0.908 0.008 A 63 VAL HG2% H 1 1.102 0.004 A 63 VAL C C 13 177.687 0.008 A 63 VAL CA C 13 66.337 0.025 A 63 VAL CB C 13 31.557 0.053 A 63 VAL CG1 C 13 21.375 0.061 A 63 VAL CG2 C 13 23.267 0.043 A 63 VAL N N 15 121.467 0.074 A 64 LEU H H 1 7.867 0.005 A 64 LEU HA H 1 3.878 0.009 A 64 LEU HBy H 1 2.284 0.007 A 64 LEU HBx H 1 1.498 0.009 A 64 LEU HD1% H 1 0.889 0.007 A 64 LEU HD2% H 1 0.869 0.016 A 64 LEU HG H 1 1.492 0.007 A 64 LEU C C 13 177.859 0.004 A 64 LEU CA C 13 58.257 0.092 A 64 LEU CB C 13 41.101 0.054 A 64 LEU CD1 C 13 23.870 0.081 A 64 LEU CD2 C 13 26.094 0.075 A 64 LEU CG C 13 27.128 0.038 A 64 LEU N N 15 119.997 0.036 A 65 LEU H H 1 8.365 0.008 A 65 LEU HA H 1 3.551 0.008 A 65 LEU HBx H 1 1.216 0.004 A 65 LEU HBy H 1 1.856 0.013 A 65 LEU HD1% H 1 0.745 0.011 A 65 LEU HD2% H 1 0.420 0.011 A 65 LEU HG H 1 1.722 0.006 A 65 LEU C C 13 178.348 0.006 A 65 LEU CA C 13 58.188 0.056 A 65 LEU CB C 13 40.839 0.049 A 65 LEU CD1 C 13 26.066 0.073 A 65 LEU CD2 C 13 22.464 0.041 A 65 LEU CG C 13 26.837 0.094 A 65 LEU N N 15 117.570 0.038 A 66 ASP H H 1 7.839 0.01 A 66 ASP HA H 1 4.079 0.004 A 66 ASP HBx H 1 2.523 0.007 A 66 ASP HBy H 1 2.897 0.005 A 66 ASP C C 13 179.194 0.011 A 66 ASP CA C 13 57.509 0.043 A 66 ASP CB C 13 39.978 0.08 A 66 ASP N N 15 120.681 0.043 A 67 ILE H H 1 8.146 0.008 A 67 ILE HA H 1 3.475 0.005 A 67 ILE HB H 1 1.833 0.007 A 67 ILE HD1% H 1 0.708 0.012 A 67 ILE HG1y H 1 1.787 0.01 A 67 ILE HG1x H 1 0.913 0.006 A 67 ILE HG2% H 1 0.745 0.01 A 67 ILE C C 13 179.562 0.004 A 67 ILE CA C 13 65.556 0.071 A 67 ILE CB C 13 38.628 0.072 A 67 ILE CD1 C 13 14.665 0.064 A 67 ILE CG1 C 13 29.010 0.067 A 67 ILE CG2 C 13 17.298 0.041 A 67 ILE N N 15 120.875 0.032 A 68 LEU H H 1 8.384 0.006 A 68 LEU HA H 1 3.927 0.008 A 68 LEU HBy H 1 1.596 0.011 A 68 LEU HBx H 1 1.246 0.006 A 68 LEU HD1% H 1 0.711 0.012 A 68 LEU HD2% H 1 0.896 0.011 A 68 LEU HG H 1 1.824 0.005 A 68 LEU C C 13 179.915 0.004 A 68 LEU CA C 13 57.152 0.036 A 68 LEU CB C 13 42.289 0.055 A 68 LEU CD1 C 13 26.880 0.054 A 68 LEU CD2 C 13 23.423 0.125 A 68 LEU CG C 13 26.654 0.04 A 68 LEU N N 15 119.387 0.027 A 69 GLN H H 1 7.800 0.008 A 69 GLN HA H 1 2.427 0.009 A 69 GLN HBy H 1 1.546 0.009 A 69 GLN HBx H 1 1.356 0.008 A 69 GLN HE21 H 1 6.828 0.002 A 69 GLN HE22 H 1 6.661 0.001 A 69 GLN HGx H 1 1.447 0.005 A 69 GLN HGy H 1 1.645 0.004 A 69 GLN C C 13 178.039 0.001 A 69 GLN CA C 13 58.207 0.05 A 69 GLN CB C 13 27.151 0.043 A 69 GLN CG C 13 33.535 0.06 A 69 GLN N N 15 119.931 0.041 A 69 GLN NE2 N 15 109.417 0.047 A 70 ARG H H 1 7.182 0.01 A 70 ARG HA H 1 4.216 0.005 A 70 ARG HBy H 1 2.025 0.002 A 70 ARG HBx H 1 1.910 0.008 A 70 ARG HDx H 1 3.147 0.011 A 70 ARG HDy H 1 3.200 0.014 A 70 ARG HGx H 1 1.650 0.009 A 70 ARG HGy H 1 1.806 0.011 A 70 ARG C C 13 177.758 0.003 A 70 ARG CA C 13 57.972 0.083 A 70 ARG CB C 13 30.213 0.083 A 70 ARG CD C 13 43.866 0.037 A 70 ARG CG C 13 27.699 0.082 A 70 ARG N N 15 117.136 0.048 A 71 THR H H 1 7.754 0.006 A 71 THR HA H 1 4.528 0.005 A 71 THR HB H 1 4.500 0.007 A 71 THR HG1 H 1 5.456 0.01 A 71 THR HG2% H 1 1.384 0.011 A 71 THR C C 13 176.247 0.007 A 71 THR CA C 13 62.748 0.059 A 71 THR CB C 13 69.928 0.094 A 71 THR CG2 C 13 22.367 0.028 A 71 THR N N 15 109.103 0.042 A 72 GLY H H 1 7.909 0.004 A 72 GLY HAy H 1 4.355 0.009 A 72 GLY HAx H 1 4.171 0.007 A 72 GLY C C 13 175.282 . A 72 GLY CA C 13 46.307 0.083 A 72 GLY N N 15 109.543 0.053 A 73 HIS HA H 1 4.448 0.015 A 73 HIS HBx H 1 3.261 0.006 A 73 HIS HBy H 1 3.415 0.019 A 73 HIS HD2 H 1 7.189 0.02 A 73 HIS HE1 H 1 8.170 0.007 A 73 HIS C C 13 176.857 0.011 A 73 HIS CA C 13 60.458 0.072 A 73 HIS CB C 13 29.778 0.106 A 73 HIS CD2 C 13 120.104 0.097 A 73 HIS CE1 C 13 137.529 0.099 A 74 LYS H H 1 8.732 0.01 A 74 LYS HA H 1 4.088 0.003 A 74 LYS HBx H 1 1.878 0.01 A 74 LYS HBy H 1 2.026 0.006 A 74 LYS HDx H 1 1.807 0.005 A 74 LYS HDy H 1 1.807 0.005 A 74 LYS HEx H 1 3.092 0.006 A 74 LYS HEy H 1 3.092 0.006 A 74 LYS HGx H 1 1.531 0.017 A 74 LYS HGy H 1 1.581 0.01 A 74 LYS C C 13 179.758 0.009 A 74 LYS CA C 13 59.781 0.092 A 74 LYS CB C 13 32.379 0.08 A 74 LYS CD C 13 29.404 0.03 A 74 LYS CE C 13 42.153 0.127 A 74 LYS CG C 13 25.180 0.083 A 74 LYS N N 15 117.699 0.039 A 75 GLY H H 1 7.388 0.008 A 75 GLY HAx H 1 3.876 0.01 A 75 GLY HAy H 1 4.556 0.007 A 75 GLY C C 13 174.787 0.003 A 75 GLY CA C 13 47.540 0.096 A 75 GLY N N 15 107.254 0.036 A 76 TYR H H 1 7.811 0.006 A 76 TYR HA H 1 3.618 0.008 A 76 TYR HBx H 1 2.021 0.007 A 76 TYR HBy H 1 2.834 0.007 A 76 TYR HD1 H 1 5.877 0.014 A 76 TYR HD2 H 1 5.877 0.014 A 76 TYR HE1 H 1 6.440 0.019 A 76 TYR HE2 H 1 6.440 0.019 A 76 TYR C C 13 176.290 . A 76 TYR CA C 13 61.958 0.065 A 76 TYR CB C 13 38.587 0.055 A 76 TYR CD1 C 13 132.001 0.102 A 76 TYR CD2 C 13 132.001 0.102 A 76 TYR CE1 C 13 118.587 0.111 A 76 TYR CE2 C 13 118.587 0.111 A 76 TYR N N 15 124.114 0.05 A 77 VAL H H 1 8.148 0.011 A 77 VAL HA H 1 3.293 0.006 A 77 VAL HB H 1 1.977 0.008 A 77 VAL HG1% H 1 0.910 0.008 A 77 VAL HG2% H 1 0.900 0.009 A 77 VAL C C 13 178.603 0.004 A 77 VAL CA C 13 66.590 0.093 A 77 VAL CB C 13 32.017 0.08 A 77 VAL CG1 C 13 21.340 0.078 A 77 VAL CG2 C 13 22.633 0.121 A 77 VAL N N 15 117.714 0.048 A 78 ALA H H 1 7.514 0.003 A 78 ALA HA H 1 4.440 0.005 A 78 ALA HB% H 1 1.614 0.009 A 78 ALA C C 13 179.409 0.018 A 78 ALA CA C 13 54.930 0.059 A 78 ALA CB C 13 20.209 0.068 A 78 ALA N N 15 120.070 0.033 A 79 PHE H H 1 8.680 0.002 A 79 PHE HA H 1 4.382 0.01 A 79 PHE HBy H 1 3.463 0.009 A 79 PHE HBx H 1 3.175 0.007 A 79 PHE HD1 H 1 6.987 0.022 A 79 PHE HD2 H 1 6.987 0.022 A 79 PHE HE1 H 1 7.014 0.018 A 79 PHE HE2 H 1 7.014 0.018 A 79 PHE HZ H 1 6.984 0.01 A 79 PHE C C 13 178.704 0.005 A 79 PHE CA C 13 60.927 0.036 A 79 PHE CB C 13 39.625 0.062 A 79 PHE CD1 C 13 131.619 0.072 A 79 PHE CD2 C 13 131.619 0.072 A 79 PHE CE1 C 13 130.233 0.161 A 79 PHE CE2 C 13 130.233 0.161 A 79 PHE CZ C 13 128.897 0.074 A 79 PHE N N 15 118.116 0.041 A 80 LEU H H 1 8.515 0.005 A 80 LEU HA H 1 3.553 0.011 A 80 LEU HBx H 1 1.430 0.007 A 80 LEU HBy H 1 1.691 0.01 A 80 LEU HD1% H 1 0.425 0.001 A 80 LEU HD2% H 1 0.493 0.003 A 80 LEU HG H 1 1.255 0.005 A 80 LEU C C 13 179.411 0.015 A 80 LEU CA C 13 58.815 0.098 A 80 LEU CB C 13 40.984 0.045 A 80 LEU CD1 C 13 24.681 0.034 A 80 LEU CD2 C 13 22.798 0.069 A 80 LEU CG C 13 27.740 0.035 A 80 LEU N N 15 121.861 0.074 A 81 GLU H H 1 8.274 0.007 A 81 GLU HA H 1 3.832 0.007 A 81 GLU HBx H 1 1.785 0.009 A 81 GLU HBy H 1 2.570 0.008 A 81 GLU HGx H 1 2.197 0.007 A 81 GLU HGy H 1 2.571 0.003 A 81 GLU C C 13 179.564 0.004 A 81 GLU CA C 13 59.182 0.044 A 81 GLU CB C 13 29.717 0.024 A 81 GLU CG C 13 36.780 0.058 A 81 GLU N N 15 118.540 0.022 A 82 SER H H 1 8.290 0.004 A 82 SER HA H 1 3.661 0.009 A 82 SER HBx H 1 3.945 0.016 A 82 SER HBy H 1 4.181 0.007 A 82 SER HG H 1 4.867 . A 82 SER C C 13 175.793 . A 82 SER CA C 13 62.516 0.042 A 82 SER CB C 13 62.349 0.132 A 82 SER N N 15 117.191 0.032 A 83 LEU H H 1 7.650 0.004 A 83 LEU HA H 1 4.101 0.012 A 83 LEU HBx H 1 1.200 0.012 A 83 LEU HBy H 1 2.002 0.011 A 83 LEU HD1% H 1 0.416 0.019 A 83 LEU HD2% H 1 0.497 0.016 A 83 LEU HG H 1 1.325 0.009 A 83 LEU C C 13 177.999 0.005 A 83 LEU CA C 13 57.372 0.058 A 83 LEU CB C 13 41.286 0.072 A 83 LEU CD1 C 13 25.378 0.095 A 83 LEU CD2 C 13 22.173 0.069 A 83 LEU CG C 13 25.537 0.02 A 83 LEU N N 15 122.722 0.02 A 84 GLU H H 1 7.957 0.005 A 84 GLU HA H 1 2.844 0.004 A 84 GLU HBy H 1 1.498 0.006 A 84 GLU HBx H 1 0.605 0.006 A 84 GLU HGy H 1 1.497 0.008 A 84 GLU HGx H 1 1.327 0.009 A 84 GLU C C 13 177.310 0.006 A 84 GLU CA C 13 60.159 0.071 A 84 GLU CB C 13 28.664 0.056 A 84 GLU CG C 13 35.878 0.069 A 84 GLU N N 15 120.787 0.026 A 85 LEU H H 1 7.039 0.008 A 85 LEU HA H 1 3.643 0.005 A 85 LEU HBx H 1 0.204 0.006 A 85 LEU HBy H 1 0.937 0.012 A 85 LEU HD1% H 1 0.209 0.005 A 85 LEU HD2% H 1 0.414 0.011 A 85 LEU HG H 1 0.945 0.009 A 85 LEU C C 13 178.878 0.005 A 85 LEU CA C 13 56.863 0.032 A 85 LEU CB C 13 43.258 0.055 A 85 LEU CD1 C 13 24.415 0.063 A 85 LEU CD2 C 13 23.202 0.06 A 85 LEU CG C 13 26.443 0.064 A 85 LEU N N 15 113.377 0.03 A 86 TYR H H 1 7.664 0.007 A 86 TYR HA H 1 4.413 0.019 A 86 TYR HBx H 1 2.589 0.011 A 86 TYR HBy H 1 2.589 0.011 A 86 TYR HD1 H 1 7.180 0.016 A 86 TYR HD2 H 1 7.180 0.016 A 86 TYR HE1 H 1 6.656 0.011 A 86 TYR HE2 H 1 6.656 0.011 A 86 TYR C C 13 175.551 0.013 A 86 TYR CA C 13 59.609 0.128 A 86 TYR CB C 13 40.200 0.072 A 86 TYR CD1 C 13 133.314 0.134 A 86 TYR CD2 C 13 133.314 0.134 A 86 TYR CE1 C 13 118.272 0.142 A 86 TYR CE2 C 13 118.272 0.142 A 86 TYR N N 15 113.994 0.047 A 87 TYR H H 1 9.005 0.009 A 87 TYR HA H 1 4.950 0.007 A 87 TYR HBx H 1 2.561 0.012 A 87 TYR HBy H 1 3.322 0.007 A 87 TYR HD1 H 1 7.040 0.015 A 87 TYR HD2 H 1 7.040 0.015 A 87 TYR HE1 H 1 6.739 0.016 A 87 TYR HE2 H 1 6.739 0.016 A 87 TYR C C 13 173.455 . A 87 TYR CA C 13 56.893 0.052 A 87 TYR CB C 13 41.100 0.066 A 87 TYR CD1 C 13 133.563 0.083 A 87 TYR CD2 C 13 133.563 0.083 A 87 TYR CE1 C 13 118.514 0.154 A 87 TYR CE2 C 13 118.514 0.154 A 87 TYR N N 15 118.490 0.05 A 88 PRO HA H 1 4.152 0.012 A 88 PRO HBx H 1 1.965 0.008 A 88 PRO HBy H 1 2.439 0.01 A 88 PRO HDx H 1 3.070 0.006 A 88 PRO HDy H 1 3.551 0.007 A 88 PRO HG2 H 1 1.974 0.005 A 88 PRO HG3 H 1 1.974 0.005 A 88 PRO C C 13 179.552 0.003 A 88 PRO CA C 13 65.820 0.077 A 88 PRO CB C 13 31.572 0.067 A 88 PRO CD C 13 50.173 0.037 A 88 PRO CG C 13 27.776 0.081 A 89 GLN H H 1 8.737 0.005 A 89 GLN HA H 1 4.184 0.01 A 89 GLN HBx H 1 2.161 0.013 A 89 GLN HBy H 1 2.227 0.016 A 89 GLN HE21 H 1 6.919 0.001 A 89 GLN HE22 H 1 7.584 0.001 A 89 GLN HGx H 1 2.429 0.007 A 89 GLN HGy H 1 2.546 0.003 A 89 GLN C C 13 179.317 0.01 A 89 GLN CA C 13 59.159 0.106 A 89 GLN CB C 13 27.846 0.101 A 89 GLN CG C 13 34.282 0.038 A 89 GLN N N 15 117.150 0.113 A 89 GLN NE2 N 15 112.258 0.036 A 90 LEU H H 1 7.717 0.006 A 90 LEU HA H 1 4.127 0.008 A 90 LEU HBy H 1 1.950 0.008 A 90 LEU HBx H 1 1.639 0.012 A 90 LEU HD1% H 1 0.746 0.004 A 90 LEU HD2% H 1 0.742 . A 90 LEU HG H 1 1.651 0.007 A 90 LEU C C 13 178.264 0.009 A 90 LEU CA C 13 57.024 0.071 A 90 LEU CB C 13 42.035 0.039 A 90 LEU CD1 C 13 24.671 0.019 A 90 LEU CD2 C 13 24.423 0.016 A 90 LEU CG C 13 26.635 0.06 A 90 LEU N N 15 122.277 0.049 A 91 TYR H H 1 8.340 0.007 A 91 TYR HA H 1 3.652 0.014 A 91 TYR HBx H 1 2.534 0.006 A 91 TYR HBy H 1 3.046 0.01 A 91 TYR HD1 H 1 6.883 0.016 A 91 TYR HD2 H 1 6.883 0.016 A 91 TYR HE1 H 1 6.611 0.013 A 91 TYR HE2 H 1 6.611 0.013 A 91 TYR C C 13 177.894 . A 91 TYR CA C 13 62.120 0.089 A 91 TYR CB C 13 37.752 0.077 A 91 TYR CD1 C 13 132.583 0.085 A 91 TYR CD2 C 13 132.583 0.085 A 91 TYR CE1 C 13 119.151 0.118 A 91 TYR CE2 C 13 119.151 0.118 A 91 TYR N N 15 118.846 0.046 A 92 LYS H H 1 7.795 0.008 A 92 LYS HA H 1 3.568 0.007 A 92 LYS HBx H 1 1.835 0.007 A 92 LYS HBy H 1 1.835 0.007 A 92 LYS HD2 H 1 1.665 0.007 A 92 LYS HD3 H 1 1.665 0.007 A 92 LYS HE2 H 1 2.984 0.001 A 92 LYS HE3 H 1 2.984 0.001 A 92 LYS HGx H 1 1.392 0.007 A 92 LYS HGy H 1 1.666 0.007 A 92 LYS C C 13 178.049 0.004 A 92 LYS CA C 13 59.647 0.072 A 92 LYS CB C 13 32.319 0.102 A 92 LYS CD C 13 29.253 0.071 A 92 LYS CE C 13 42.071 . A 92 LYS CG C 13 25.396 0.077 A 92 LYS N N 15 118.653 0.08 A 93 LYS H H 1 7.284 0.008 A 93 LYS HA H 1 3.990 0.006 A 93 LYS HBx H 1 1.843 0.012 A 93 LYS HBy H 1 1.904 0.018 A 93 LYS HDy H 1 1.709 0.018 A 93 LYS HDx H 1 1.669 0.008 A 93 LYS HEx H 1 3.008 0.01 A 93 LYS HEy H 1 3.057 0.007 A 93 LYS HGx H 1 1.365 0.003 A 93 LYS HGy H 1 1.511 0.008 A 93 LYS C C 13 178.603 0.003 A 93 LYS CA C 13 59.038 0.091 A 93 LYS CB C 13 32.435 0.067 A 93 LYS CD C 13 29.153 0.149 A 93 LYS CE C 13 42.057 . A 93 LYS CG C 13 24.642 0.059 A 93 LYS N N 15 118.528 0.037 A 94 VAL H H 1 7.777 0.006 A 94 VAL HA H 1 3.171 0.004 A 94 VAL HB H 1 1.708 0.008 A 94 VAL HG1% H 1 0.409 0.015 A 94 VAL HG2% H 1 0.497 0.019 A 94 VAL C C 13 176.637 0.002 A 94 VAL CA C 13 63.652 0.08 A 94 VAL CB C 13 31.260 0.084 A 94 VAL CG1 C 13 20.728 0.071 A 94 VAL CG2 C 13 20.154 0.046 A 94 VAL N N 15 112.156 0.04 A 95 THR H H 1 7.227 0.008 A 95 THR HA H 1 4.197 0.006 A 95 THR HB H 1 3.991 0.003 A 95 THR HG2% H 1 0.664 0.006 A 95 THR C C 13 175.985 0.001 A 95 THR CA C 13 62.041 0.058 A 95 THR CB C 13 70.305 0.088 A 95 THR CG2 C 13 21.600 0.084 A 95 THR N N 15 106.825 0.038 A 96 GLY H H 1 7.584 0.006 A 96 GLY HAx H 1 3.924 0.004 A 96 GLY HAy H 1 3.924 0.004 A 96 GLY C C 13 173.743 0.005 A 96 GLY CA C 13 46.290 0.083 A 96 GLY N N 15 110.979 0.036 A 97 LYS H H 1 7.663 0.006 A 97 LYS HA H 1 4.134 0.007 A 97 LYS HBx H 1 1.548 0.005 A 97 LYS HBy H 1 1.878 0.008 A 97 LYS HDx H 1 1.597 0.014 A 97 LYS HDy H 1 1.657 0.01 A 97 LYS HEy H 1 2.996 0.015 A 97 LYS HEx H 1 2.972 0.019 A 97 LYS HG2 H 1 1.313 0.01 A 97 LYS HG3 H 1 1.313 0.01 A 97 LYS C C 13 181.044 . A 97 LYS CA C 13 57.376 0.04 A 97 LYS CB C 13 33.943 0.047 A 97 LYS CD C 13 29.078 0.043 A 97 LYS CE C 13 42.377 0.107 A 97 LYS CG C 13 25.281 0.099 A 97 LYS N N 15 125.964 0.041 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 40 LEU HA A 41 ASN H 1.0 0.300 3.300 2 2 A 41 ASN H A 40 LEU HD1% 1.0 0.401 4.411 3 3 A 11 TRP HE1 A 72 GLY H 1.0 0.439 4.829 4 4 A 35 ARG H A 36 GLN H 1.0 0.347 3.817 5 5 A 89 GLN H A 90 LEU H 1.0 0.383 4.213 6 6 A 74 LYS H A 75 GLY H 1.0 0.379 4.169 7 7 A 79 PHE H A 80 LEU H 1.0 0.363 3.993 8 8 A 20 THR H A 21 LEU H 1.0 0.375 4.125 9 9 A 22 THR H A 23 SER H 1.0 0.351 3.861 10 10 A 80 LEU H A 81 GLU H 1.0 0.361 3.971 11 11 A 67 ILE H A 68 LEU H 1.0 0.352 3.872 12 12 A 65 LEU H A 66 ASP H 1.0 0.344 3.784 13 13 A 91 TYR H A 92 LYS H 1.0 0.367 4.037 14 14 A 4 TYR H A 5 GLU H 1.0 0.467 5.137 15 15 A 28 SER H A 29 ARG H 1.0 0.374 4.114 16 16 A 36 GLN H A 37 CYS H 1.0 0.334 3.674 17 17 A 76 TYR H A 77 VAL H 1.0 0.361 3.971 18 18 A 67 ILE H A 66 ASP H 1.0 0.345 3.795 19 19 A 77 VAL H A 78 ALA H 1.0 0.358 3.938 20 20 A 16 GLY H A 17 PHE H 1.0 0.386 4.246 21 21 A 53 ASN H A 54 LEU H 1.0 0.403 4.433 22 22 A 59 ARG H A 60 LYS H 1.0 0.383 4.213 23 23 A 60 LYS H A 61 VAL H 1.0 0.369 4.059 24 24 A 14 LEU H A 15 GLU H 1.0 0.339 3.729 25 25 A 17 PHE H A 18 ARG H 1.0 0.324 3.564 26 26 A 83 LEU H A 84 GLU H 1.0 0.347 3.817 27 27 A 38 LYS H A 40 LEU H 1.0 0.450 4.950 28 28 A 37 CYS H A 38 LYS H 1.0 0.336 3.696 29 29 A 35 ARG H A 34 LEU H 1.0 0.353 3.883 30 30 A 34 LEU H A 33 TYR H 1.0 0.342 3.762 31 31 A 63 VAL H A 64 LEU H 1.0 0.343 3.773 32 32 A 65 LEU H A 64 LEU H 1.0 0.353 3.883 33 33 A 11 TRP HE1 A 76 TYR H 1.0 0.407 4.477 34 34 A 48 VAL H A 49 LEU H 1.0 0.343 3.773 35 35 A 49 LEU H A 50 SER H 1.0 0.353 3.883 36 36 A 68 LEU H A 69 GLN H 1.0 0.355 3.905 37 37 A 92 LYS H A 93 LYS H 1.0 0.324 3.564 38 38 A 63 VAL H A 62 GLY H 1.0 0.345 3.795 39 39 A 61 VAL H A 62 GLY H 1.0 0.355 3.905 40 40 A 69 GLN H A 70 ARG H 1.0 0.347 3.817 41 41 A 94 VAL H A 96 GLY H 1.0 0.440 4.840 42 42 A 94 VAL H A 95 THR H 1.0 0.341 3.751 43 43 A 43 ASP H A 44 ASP H 1.0 0.347 3.817 44 44 A 72 GLY H A 71 THR H 1.0 0.328 3.608 45 45 A 90 LEU H A 91 TYR H 1.0 0.323 3.553 46 46 A 10 CYS H A 11 TRP H 1.0 0.377 4.147 47 47 A 11 TRP H A 12 SER H 1.0 0.380 4.180 48 48 A 86 TYR H A 87 TYR H 1.0 0.327 3.597 49 49 A 46 GLU H A 47 GLN H 1.0 0.349 3.839 50 50 A 48 VAL H A 47 GLN H 1.0 0.333 3.663 51 51 A 55 VAL H A 56 ILE H 1.0 0.361 3.971 52 52 A 83 LEU H A 82 SER H 1.0 0.364 4.004 53 53 A 12 SER H A 13 VAL H 1.0 0.369 4.059 54 54 A 79 PHE H A 78 ALA H 1.0 0.351 3.861 55 55 A 11 TRP H A 11 TRP HD1 1.0 0.399 4.389 56 56 A 40 LEU H A 39 VAL H 1.0 0.303 3.333 57 57 A 38 LYS H A 39 VAL H 1.0 0.350 3.850 58 58 A 75 GLY H A 76 TYR H 1.0 0.346 3.806 59 59 A 23 SER H A 24 VAL H 1.0 0.331 3.641 60 60 A 59 ARG H A 58 LYS H 1.0 0.412 4.532 61 61 A 17 PHE H A 17 PHE HD% 1.0 0.403 4.433 62 62 A 93 LYS H A 94 VAL H 1.0 0.341 3.751 63 63 A 96 GLY H A 95 THR H 1.0 0.328 3.608 64 64 A 24 VAL H A 25 ILE H 1.0 0.323 3.553 65 65 A 86 TYR H A 86 TYR HD% 1.0 0.382 4.202 66 66 A 70 ARG H A 71 THR H 1.0 0.339 3.729 67 67 A 84 GLU H A 85 LEU H 1.0 0.368 4.048 68 68 A 87 TYR H A 87 TYR HD% 1.0 0.423 4.653 69 69 A 86 TYR H A 85 LEU H 1.0 0.343 3.773 70 70 A 76 TYR H A 11 TRP HZ2 1.0 0.447 4.917 71 71 A 33 TYR H A 33 TYR HD% 1.0 0.432 4.752 72 72 A 34 LEU H A 33 TYR HD% 1.0 0.422 4.642 73 73 A 82 SER H A 33 TYR HD% 1.0 0.459 5.049 74 74 A 29 ARG H A 30 ILE H 1.0 0.337 3.707 75 75 A 30 ILE H A 31 THR H 1.0 0.319 3.509 76 76 A 84 GLU H A 91 TYR HD% 1.0 0.452 4.972 77 77 A 92 LYS H A 91 TYR HD% 1.0 0.419 4.609 78 78 A 82 SER H A 33 TYR HE% 1.0 0.432 4.752 79 79 A 77 VAL H A 76 TYR HD% 1.0 0.406 4.466 80 80 A 71 THR H A 71 THR HG1 1.0 0.457 5.027 81 81 A 17 PHE H A 14 LEU HA 1.0 0.431 4.741 82 82 A 71 THR H A 71 THR HB 1.0 0.408 4.488 83 83 A 76 TYR H A 73 HIS HA 1.0 0.441 4.851 84 84 A 81 GLU H A 78 ALA HA 1.0 0.407 4.477 85 85 A 82 SER H A 78 ALA HA 1.0 0.475 5.225 86 86 A 40 LEU H A 35 ARG HA 1.0 0.388 4.268 87 87 A 46 GLU H A 43 ASP HA 1.0 0.404 4.444 88 88 A 47 GLN H A 44 ASP HA 1.0 0.407 4.477 89 89 A 39 VAL H A 35 ARG HA 1.0 0.417 4.587 90 90 A 55 VAL H A 54 LEU HA 1.0 0.350 3.850 91 91 A 38 LYS H A 35 ARG HA 1.0 0.404 4.444 92 92 A 15 GLU H A 12 SER HA 1.0 0.420 4.620 93 93 A 14 LEU H A 11 TRP HA 1.0 0.409 4.499 94 94 A 20 THR H A 20 THR HB 1.0 0.354 3.894 95 95 A 21 LEU H A 20 THR HB 1.0 0.357 3.927 96 96 A 59 ARG H A 56 ILE HA 1.0 0.459 5.049 97 97 A 62 GLY H A 59 ARG HA 1.0 0.410 4.510 98 98 A 35 ARG H A 32 PRO HA 1.0 0.416 4.576 99 99 A 18 ARG H A 15 GLU HA 1.0 0.430 4.730 100 100 A 42 PRO HA A 45 GLU H 1.0 0.392 4.312 101 101 A 92 LYS H A 89 GLN HA 1.0 0.429 4.719 102 102 A 91 TYR H A 88 PRO HA 1.0 0.409 4.499 103 103 A 93 LYS H A 90 LEU HA 1.0 0.377 4.147 104 104 A 87 TYR H A 83 LEU HA 1.0 0.365 4.015 105 105 A 23 SER H A 23 SER HBx 1.0 0.413 4.543 106 106 A 63 VAL H A 60 LYS HA 1.0 0.392 4.312 107 107 A 69 GLN H A 66 ASP HA 1.0 0.424 4.664 108 108 A 77 VAL H A 74 LYS HA 1.0 0.428 4.708 109 109 A 13 VAL H A 12 SER HBx 1.0 0.387 4.257 110 109 A 13 VAL H A 12 SER HBy 1.0 0.387 4.257 111 110 A 12 SER H A 12 SER HBx 1.0 0.319 3.509 112 110 A 12 SER H A 12 SER HBy 1.0 0.319 3.509 113 111 A 40 LEU H A 38 LYS HA 1.0 0.400 4.400 114 112 A 38 LYS H A 38 LYS HA 1.0 0.289 3.179 115 113 A 34 LEU H A 31 THR HA 1.0 0.405 4.455 116 114 A 23 SER H A 20 THR HA 1.0 0.398 4.378 117 115 A 23 SER H A 23 SER HBy 1.0 0.413 4.543 118 116 A 95 THR H A 93 LYS HA 1.0 0.465 5.115 119 117 A 30 ILE H A 27 PRO HA 1.0 0.399 4.389 120 118 A 29 ARG H A 28 SER HBx 1.0 0.409 4.499 121 118 A 29 ARG H A 28 SER HBy 1.0 0.409 4.499 122 119 A 50 SER H A 50 SER HBy 1.0 0.412 4.532 123 120 A 50 SER H A 50 SER HBx 1.0 0.412 4.532 124 121 A 28 SER H A 28 SER HBx 1.0 0.346 3.806 125 121 A 28 SER H A 28 SER HBy 1.0 0.346 3.806 126 122 A 97 LYS H A 96 GLY HAx 1.0 0.346 3.806 127 122 A 96 GLY HAy A 97 LYS H 1.0 0.346 3.806 128 123 A 82 SER H A 82 SER HBx 1.0 0.394 4.334 129 124 A 96 GLY H A 96 GLY HAx 1.0 0.285 3.135 130 124 A 96 GLY H A 96 GLY HAy 1.0 0.285 3.135 131 125 A 71 THR H A 68 LEU HA 1.0 0.417 4.587 132 126 A 24 VAL H A 21 LEU HA 1.0 0.431 4.741 133 127 A 25 ILE H A 21 LEU HA 1.0 0.411 4.521 134 128 A 67 ILE H A 64 LEU HA 1.0 0.421 4.631 135 129 A 84 GLU H A 81 GLU HA 1.0 0.421 4.631 136 130 A 43 ASP H A 42 PRO HDx 1.0 0.405 4.455 137 130 A 43 ASP H A 42 PRO HDy 1.0 0.405 4.455 138 131 A 21 LEU H A 18 ARG HA 1.0 0.415 4.565 139 132 A 66 ASP H A 63 VAL HA 1.0 0.402 4.422 140 133 A 82 SER H A 82 SER HBy 1.0 0.394 4.334 141 134 A 83 LEU H A 80 LEU HA 1.0 0.387 4.257 142 135 A 68 LEU H A 65 LEU HA 1.0 0.407 4.477 143 136 A 95 THR H A 92 LYS HA 1.0 0.429 4.719 144 137 A 33 TYR H A 33 TYR HBy 1.0 0.341 3.751 145 138 A 34 LEU H A 33 TYR HBy 1.0 0.435 4.785 146 139 A 64 LEU H A 61 VAL HA 1.0 0.408 4.488 147 140 A 79 PHE H A 79 PHE HBx 1.0 0.339 3.729 148 141 A 70 ARG H A 67 ILE HA 1.0 0.445 4.895 149 142 A 21 LEU H A 17 PHE HBy 1.0 0.430 4.730 150 143 A 17 PHE H A 17 PHE HBy 1.0 0.403 4.433 151 144 A 90 LEU H A 87 TYR HBy 1.0 0.417 4.587 152 145 A 80 LEU H A 77 VAL HA 1.0 0.409 4.499 153 146 A 74 LYS H A 73 HIS HBx 1.0 0.449 4.939 154 147 A 11 TRP H A 11 TRP HBx 1.0 0.391 4.301 155 148 A 33 TYR H A 32 PRO HDx 1.0 0.393 4.323 156 149 A 31 THR H A 32 PRO HDx 1.0 0.375 4.125 157 150 A 80 LEU H A 79 PHE HBy 1.0 0.365 4.015 158 151 A 79 PHE H A 79 PHE HBy 1.0 0.342 3.762 159 152 A 33 TYR H A 33 TYR HBx 1.0 0.341 3.751 160 153 A 4 TYR H A 4 TYR HBy 1.0 0.400 4.400 161 154 A 34 LEU H A 33 TYR HBx 1.0 0.435 4.785 162 155 A 87 TYR H A 88 PRO HDy 1.0 0.387 4.257 163 156 A 25 ILE HA A 26 ASP H 1.0 0.294 3.234 164 157 A 91 TYR H A 91 TYR HBy 1.0 0.340 3.740 165 158 A 92 LYS H A 91 TYR HBy 1.0 0.350 3.850 166 159 A 4 TYR H A 4 TYR HBx 1.0 0.400 4.400 167 160 A 37 CYS H A 37 CYS HBx 1.0 0.374 4.114 168 161 A 67 ILE H A 66 ASP HBx 1.0 0.415 4.565 169 162 A 66 ASP H A 66 ASP HBx 1.0 0.370 4.070 170 163 A 45 GLU H A 44 ASP HBx 1.0 0.377 4.147 171 164 A 17 PHE H A 17 PHE HBx 1.0 0.339 3.729 172 165 A 76 TYR H A 76 TYR HBy 1.0 0.341 3.751 173 166 A 51 ASP H A 51 ASP HBx 1.0 0.384 4.224 174 167 A 8 ASP H A 8 ASP HBx 1.0 0.396 4.356 175 168 A 8 ASP H A 8 ASP HBy 1.0 0.396 4.356 176 169 A 37 CYS H A 37 CYS HBy 1.0 0.374 4.114 177 170 A 51 ASP H A 51 ASP HBy 1.0 0.384 4.224 178 171 A 44 ASP H A 43 ASP HBx 1.0 0.451 4.961 179 172 A 44 ASP H A 43 ASP HBy 1.0 0.451 4.961 180 173 A 87 TYR H A 86 TYR HBx 1.0 0.368 4.048 181 173 A 87 TYR H A 86 TYR HBy 1.0 0.368 4.048 182 174 A 82 SER H A 81 GLU HBx 1.0 0.356 3.916 183 175 A 86 TYR H A 86 TYR HBx 1.0 0.327 3.597 184 175 A 86 TYR H A 86 TYR HBy 1.0 0.327 3.597 185 176 A 41 ASN H A 44 ASP HBy 1.0 0.478 5.258 186 177 A 90 LEU H A 87 TYR HBx 1.0 0.480 5.280 187 178 A 90 LEU H A 89 GLN HGx 1.0 0.518 5.698 188 179 A 81 GLU H A 81 GLU HBx 1.0 0.306 3.366 189 180 A 45 GLU H A 44 ASP HBy 1.0 0.377 4.147 190 181 A 67 ILE H A 66 ASP HBy 1.0 0.415 4.565 191 182 A 84 GLU H A 91 TYR HBx 1.0 0.436 4.796 192 183 A 66 ASP H A 66 ASP HBy 1.0 0.370 4.070 193 184 A 91 TYR H A 91 TYR HBx 1.0 0.340 3.740 194 185 A 11 TRP HE1 A 69 GLN HA 1.0 0.432 4.752 195 186 A 36 GLN H A 36 GLN HGy 1.0 0.539 5.929 196 187 A 36 GLN H A 36 GLN HGx 1.0 0.539 5.929 197 188 A 40 LEU H A 39 VAL HB 1.0 0.413 4.543 198 189 A 46 GLU H A 46 GLU HGx 1.0 0.477 5.247 199 190 A 39 VAL H A 39 VAL HB 1.0 0.377 4.147 200 191 A 9 GLU H A 9 GLU HGx 1.0 0.516 5.676 201 192 A 9 GLU H A 9 GLU HGy 1.0 0.516 5.676 202 193 A 13 VAL H A 13 VAL HB 1.0 0.323 3.553 203 194 A 14 LEU H A 13 VAL HB 1.0 0.356 3.916 204 195 A 64 LEU H A 64 LEU HBx 1.0 0.339 3.729 205 196 A 34 LEU H A 34 LEU HG 1.0 0.316 3.476 206 197 A 65 LEU H A 64 LEU HBx 1.0 0.419 4.609 207 198 A 90 LEU H A 89 GLN HBx 1.0 0.416 4.576 208 199 A 15 GLU H A 15 GLU HBx 1.0 0.384 4.224 209 200 A 31 THR H A 30 ILE HB 1.0 0.519 5.709 210 201 A 36 GLN H A 36 GLN HBx 1.0 0.388 4.268 211 202 A 56 ILE H A 55 VAL HB 1.0 0.394 4.334 212 203 A 45 GLU H A 45 GLU HBx 1.0 0.383 4.213 213 204 A 55 VAL H A 55 VAL HB 1.0 0.383 4.213 214 205 A 46 GLU H A 45 GLU HBx 1.0 0.407 4.477 215 206 A 18 ARG H A 18 ARG HBx 1.0 0.369 4.059 216 207 A 81 GLU H A 81 GLU HGy 1.0 0.403 4.433 217 208 A 47 GLN H A 47 GLN HBx 1.0 0.310 3.410 218 208 A 47 GLN H A 47 GLN HBy 1.0 0.310 3.410 219 209 A 49 LEU H A 48 VAL HB 1.0 0.393 4.323 220 210 A 48 VAL H A 47 GLN HBx 1.0 0.401 4.411 221 210 A 48 VAL H A 47 GLN HBy 1.0 0.401 4.411 222 211 A 48 VAL H A 48 VAL HB 1.0 0.380 4.180 223 212 A 90 LEU H A 89 GLN HBy 1.0 0.416 4.576 224 213 A 9 GLU H A 9 GLU HBx 1.0 0.404 4.444 225 214 A 63 VAL H A 63 VAL HB 1.0 0.318 3.498 226 215 A 15 GLU H A 14 LEU HBy 1.0 0.357 3.927 227 216 A 15 GLU H A 15 GLU HBy 1.0 0.384 4.224 228 217 A 64 LEU H A 63 VAL HB 1.0 0.358 3.938 229 218 A 38 LYS H A 38 LYS HBx 1.0 0.410 4.510 230 219 A 14 LEU H A 14 LEU HBy 1.0 0.323 3.553 231 220 A 20 THR H A 19 VAL HB 1.0 0.434 4.774 232 221 A 20 THR H A 21 LEU HG 1.0 0.500 5.500 233 222 A 45 GLU H A 46 GLU HBx 1.0 0.536 5.896 234 222 A 45 GLU H A 46 GLU HBy 1.0 0.536 5.896 235 223 A 46 GLU H A 46 GLU HBx 1.0 0.297 3.267 236 223 A 46 GLU H A 46 GLU HBy 1.0 0.297 3.267 237 224 A 47 GLN H A 46 GLU HBx 1.0 0.349 3.839 238 224 A 47 GLN H A 46 GLU HBy 1.0 0.349 3.839 239 225 A 22 THR H A 21 LEU HBy 1.0 0.353 3.883 240 226 A 21 LEU H A 21 LEU HG 1.0 0.301 3.311 241 227 A 61 VAL H A 61 VAL HB 1.0 0.342 3.762 242 228 A 62 GLY H A 61 VAL HB 1.0 0.369 4.059 243 229 A 34 LEU H A 34 LEU HBx 1.0 0.404 4.444 244 230 A 38 LYS H A 38 LYS HBy 1.0 0.410 4.510 245 231 A 11 TRP HE1 A 76 TYR HBx 1.0 0.470 5.170 246 232 A 76 TYR H A 76 TYR HBx 1.0 0.341 3.751 247 233 A 9 GLU H A 9 GLU HBy 1.0 0.404 4.444 248 234 A 60 LYS H A 59 ARG HBx 1.0 0.377 4.147 249 234 A 60 LYS H A 59 ARG HBy 1.0 0.377 4.147 250 235 A 59 ARG H A 59 ARG HBx 1.0 0.338 3.718 251 235 A 59 ARG H A 59 ARG HBy 1.0 0.338 3.718 252 236 A 74 LYS H A 74 LYS HBx 1.0 0.366 4.026 253 237 A 70 ARG H A 70 ARG HBx 1.0 0.367 4.037 254 238 A 28 SER H A 27 PRO HBy 1.0 0.423 4.653 255 238 A 28 SER H A 27 PRO HBx 1.0 0.423 4.653 256 239 A 75 GLY H A 74 LYS HBx 1.0 0.392 4.312 257 240 A 83 LEU H A 83 LEU HBx 1.0 0.358 3.938 258 241 A 84 GLU H A 83 LEU HBx 1.0 0.375 4.125 259 242 A 56 ILE H A 56 ILE HB 1.0 0.348 3.828 260 243 A 14 LEU H A 14 LEU HG 1.0 0.369 4.059 261 244 A 78 ALA H A 77 VAL HB 1.0 0.339 3.729 262 245 A 77 VAL H A 77 VAL HB 1.0 0.319 3.509 263 246 A 89 GLN H A 88 PRO HG2 1.0 0.400 4.400 264 246 A 89 GLN H A 88 PRO HG3 1.0 0.400 4.400 265 247 A 18 ARG H A 18 ARG HBy 1.0 0.369 4.059 266 248 A 90 LEU H A 90 LEU HBx 1.0 0.335 3.685 267 249 A 91 TYR H A 90 LEU HBx 1.0 0.380 4.180 268 250 A 36 GLN H A 35 ARG HBx 1.0 0.433 4.763 269 251 A 29 ARG H A 29 ARG HBx 1.0 0.311 3.421 270 251 A 29 ARG H A 29 ARG HBy 1.0 0.311 3.421 271 252 A 70 ARG H A 70 ARG HBy 1.0 0.367 4.037 272 253 A 31 THR H A 29 ARG HBx 1.0 0.506 5.566 273 253 A 31 THR H A 29 ARG HBy 1.0 0.506 5.566 274 254 A 71 THR H A 70 ARG HBy 1.0 0.436 4.796 275 255 A 30 ILE H A 29 ARG HBx 1.0 0.387 4.257 276 255 A 30 ILE H A 29 ARG HBy 1.0 0.387 4.257 277 256 A 97 LYS H A 97 LYS HBx 1.0 0.386 4.246 278 257 A 66 ASP H A 65 LEU HBx 1.0 0.355 3.905 279 258 A 74 LYS H A 74 LYS HBy 1.0 0.366 4.026 280 259 A 65 LEU H A 65 LEU HBx 1.0 0.336 3.696 281 260 A 75 GLY H A 74 LYS HBy 1.0 0.392 4.312 282 261 A 15 GLU H A 14 LEU HBx 1.0 0.417 4.587 283 262 A 69 GLN H A 67 ILE HB 1.0 0.548 6.028 284 263 A 69 GLN H A 68 LEU HG 1.0 0.550 6.050 285 264 A 92 LYS H A 92 LYS HBx 1.0 0.295 3.245 286 264 A 92 LYS H A 92 LYS HBy 1.0 0.295 3.245 287 265 A 93 LYS H A 92 LYS HBx 1.0 0.324 3.564 288 265 A 93 LYS H A 92 LYS HBy 1.0 0.324 3.564 289 266 A 93 LYS H A 93 LYS HBy 1.0 0.367 4.037 290 267 A 14 LEU H A 14 LEU HBx 1.0 0.365 4.015 291 268 A 67 ILE H A 67 ILE HB 1.0 0.301 3.311 292 269 A 68 LEU H A 67 ILE HB 1.0 0.303 3.333 293 270 A 59 ARG H A 58 LYS HBx 1.0 0.421 4.631 294 271 A 59 ARG H A 58 LYS HBy 1.0 0.421 4.631 295 272 A 58 LYS H A 58 LYS HBx 1.0 0.401 4.411 296 273 A 58 LYS H A 58 LYS HBy 1.0 0.401 4.411 297 274 A 24 VAL H A 24 VAL HB 1.0 0.322 3.542 298 275 A 25 ILE H A 24 VAL HB 1.0 0.327 3.597 299 276 A 81 GLU H A 81 GLU HBy 1.0 0.377 4.147 300 277 A 46 GLU H A 45 GLU HBy 1.0 0.407 4.477 301 278 A 82 SER H A 81 GLU HBy 1.0 0.404 4.444 302 279 A 49 LEU H A 49 LEU HG 1.0 0.355 3.905 303 280 A 50 SER H A 49 LEU HBx 1.0 0.388 4.268 304 281 A 35 ARG H A 35 ARG HGx 1.0 0.394 4.334 305 282 A 11 TRP H A 10 CYS HBy 1.0 0.432 4.752 306 283 A 65 LEU H A 65 LEU HG 1.0 0.325 3.575 307 284 A 94 VAL H A 94 VAL HB 1.0 0.362 3.982 308 285 A 95 THR H A 94 VAL HB 1.0 0.390 4.290 309 286 A 80 LEU H A 80 LEU HBx 1.0 0.325 3.575 310 287 A 81 GLU H A 80 LEU HBx 1.0 0.375 4.125 311 288 A 26 ASP H A 25 ILE HB 1.0 0.430 4.730 312 289 A 92 LYS H A 92 LYS HD2 1.0 0.483 5.313 313 289 A 92 LYS H A 92 LYS HD3 1.0 0.483 5.313 314 290 A 59 ARG H A 58 LYS HDy 1.0 0.490 5.390 315 290 A 59 ARG H A 58 LYS HDx 1.0 0.490 5.390 316 291 A 25 ILE H A 25 ILE HB 1.0 0.314 3.454 317 292 A 90 LEU H A 90 LEU HBy 1.0 0.333 3.663 318 293 A 91 TYR H A 90 LEU HBy 1.0 0.380 4.180 319 294 A 78 ALA H A 78 ALA HB% 1.0 0.298 3.278 320 295 A 79 PHE H A 78 ALA HB% 1.0 0.346 3.806 321 296 A 68 LEU H A 68 LEU HBx 1.0 0.355 3.905 322 297 A 55 VAL H A 54 LEU HBy 1.0 0.451 4.961 323 298 A 56 ILE H A 56 ILE HG1y 1.0 0.393 4.323 324 299 A 69 GLN H A 69 GLN HBx 1.0 0.333 3.663 325 300 A 74 LYS H A 74 LYS HGx 1.0 0.527 5.797 326 301 A 74 LYS H A 74 LYS HGy 1.0 0.527 5.797 327 302 A 75 GLY H A 78 ALA HB% 1.0 0.527 5.797 328 303 A 97 LYS H A 97 LYS HBy 1.0 0.386 4.246 329 304 A 50 SER H A 49 LEU HBy 1.0 0.438 4.818 330 305 A 93 LYS H A 93 LYS HGx 1.0 0.472 5.192 331 306 A 31 THR H A 30 ILE HG1y 1.0 0.430 4.730 332 307 A 30 ILE H A 30 ILE HG1y 1.0 0.383 4.213 333 308 A 84 GLU H A 84 GLU HBx 1.0 0.331 3.641 334 309 A 35 ARG H A 35 ARG HGy 1.0 0.394 4.334 335 310 A 64 LEU H A 64 LEU HBy 1.0 0.339 3.729 336 311 A 29 ARG H A 29 ARG HGx 1.0 0.452 4.972 337 312 A 65 LEU H A 64 LEU HBy 1.0 0.419 4.609 338 313 A 85 LEU H A 84 GLU HBx 1.0 0.351 3.861 339 314 A 41 ASN H A 40 LEU HBx 1.0 0.459 5.049 340 315 A 40 LEU H A 40 LEU HBx 1.0 0.369 4.059 341 316 A 80 LEU H A 80 LEU HBy 1.0 0.390 4.290 342 317 A 81 GLU H A 80 LEU HBy 1.0 0.402 4.422 343 318 A 92 LYS H A 92 LYS HGy 1.0 0.455 5.005 344 319 A 25 ILE H A 25 ILE HG1x 1.0 0.328 3.608 345 320 A 71 THR H A 71 THR HG2% 1.0 0.332 3.652 346 321 A 69 GLN H A 69 GLN HBy 1.0 0.333 3.663 347 322 A 21 LEU H A 21 LEU HBx 1.0 0.398 4.378 348 323 A 94 VAL H A 93 LYS HGy 1.0 0.496 5.456 349 324 A 83 LEU H A 83 LEU HG 1.0 0.332 3.652 350 325 A 84 GLU H A 83 LEU HG 1.0 0.488 5.368 351 326 A 97 LYS H A 97 LYS HG2 1.0 0.356 3.916 352 326 A 97 LYS H A 97 LYS HG3 1.0 0.356 3.916 353 327 A 56 ILE H A 56 ILE HG1x 1.0 0.393 4.323 354 328 A 34 LEU H A 34 LEU HBy 1.0 0.399 4.389 355 329 A 35 ARG H A 34 LEU HBy 1.0 0.429 4.719 356 330 A 62 GLY H A 22 THR HG2% 1.0 0.401 4.411 357 331 A 22 THR H A 22 THR HG2% 1.0 0.334 3.674 358 332 A 80 LEU H A 80 LEU HG 1.0 0.366 4.026 359 333 A 68 LEU H A 68 LEU HBy 1.0 0.396 4.356 360 334 A 21 LEU H A 20 THR HG2% 1.0 0.402 4.422 361 335 A 83 LEU H A 83 LEU HBy 1.0 0.398 4.378 362 336 A 66 ASP H A 65 LEU HBy 1.0 0.411 4.521 363 337 A 65 LEU H A 65 LEU HBy 1.0 0.390 4.290 364 338 A 31 THR H A 31 THR HG2% 1.0 0.330 3.630 365 339 A 30 ILE H A 30 ILE HG1x 1.0 0.343 3.773 366 340 A 84 GLU H A 83 LEU HBy 1.0 0.434 4.774 367 341 A 91 TYR H A 83 LEU HBy 1.0 0.428 4.708 368 342 A 61 VAL H A 61 VAL HG2% 1.0 0.324 3.564 369 343 A 62 GLY H A 61 VAL HG2% 1.0 0.436 4.796 370 344 A 62 GLY H A 63 VAL HG2% 1.0 0.490 5.390 371 345 A 63 VAL H A 63 VAL HG2% 1.0 0.311 3.421 372 346 A 13 VAL H A 13 VAL HG2% 1.0 0.308 3.388 373 347 A 64 LEU H A 63 VAL HG2% 1.0 0.432 4.752 374 348 A 14 LEU H A 13 VAL HG1% 1.0 0.390 4.290 375 349 A 14 LEU H A 13 VAL HG2% 1.0 0.439 4.829 376 350 A 40 LEU H A 40 LEU HBy 1.0 0.369 4.059 377 351 A 12 SER H A 13 VAL HG2% 1.0 0.419 4.609 378 352 A 18 ARG H A 21 LEU HD1% 1.0 0.428 4.708 379 353 A 56 ILE H A 56 ILE HG2% 1.0 0.425 4.675 380 354 A 21 LEU H A 21 LEU HD1% 1.0 0.388 4.268 381 355 A 34 LEU H A 34 LEU HD1% 1.0 0.415 4.565 382 356 A 59 ARG H A 56 ILE HG2% 1.0 0.407 4.477 383 357 A 58 LYS H A 56 ILE HG2% 1.0 0.472 5.192 384 358 A 79 PHE H A 34 LEU HD2% 1.0 0.491 5.401 385 359 A 24 VAL H A 24 VAL HG2% 1.0 0.336 3.696 386 360 A 82 SER H A 34 LEU HD2% 1.0 0.537 5.907 387 361 A 25 ILE H A 24 VAL HG2% 1.0 0.433 4.763 388 362 A 30 ILE H A 30 ILE HG2% 1.0 0.361 3.971 389 363 A 14 LEU H A 14 LEU HD1% 1.0 0.434 4.774 390 364 A 14 LEU H A 14 LEU HD2% 1.0 0.452 4.972 391 365 A 48 VAL H A 48 VAL HG2% 1.0 0.327 3.597 392 366 A 20 THR H A 19 VAL HG1% 1.0 0.460 5.060 393 367 A 21 LEU H A 21 LEU HD2% 1.0 0.398 4.378 394 368 A 86 TYR H A 85 LEU HBx 1.0 0.354 3.894 395 369 A 85 LEU H A 85 LEU HBx 1.0 0.332 3.652 396 370 A 85 LEU H A 85 LEU HG 1.0 0.348 3.828 397 371 A 76 TYR H A 39 VAL HG1% 1.0 0.526 5.786 398 371 A 76 TYR H A 39 VAL HG2% 1.0 0.526 5.786 399 372 A 76 TYR H A 77 VAL HG2% 1.0 0.550 6.050 400 373 A 63 VAL H A 63 VAL HG1% 1.0 0.391 4.301 401 374 A 67 ILE H A 67 ILE HG1x 1.0 0.403 4.433 402 375 A 66 ASP H A 63 VAL HG1% 1.0 0.479 5.269 403 376 A 64 LEU H A 63 VAL HG1% 1.0 0.386 4.246 404 377 A 78 ALA H A 39 VAL HG1% 1.0 0.402 4.422 405 377 A 78 ALA H A 39 VAL HG2% 1.0 0.402 4.422 406 378 A 78 ALA H A 77 VAL HG1% 1.0 0.446 4.906 407 379 A 68 LEU H A 64 LEU HD1% 1.0 0.371 4.081 408 380 A 77 VAL H A 77 VAL HG2% 1.0 0.305 3.355 409 381 A 79 PHE H A 39 VAL HG1% 1.0 0.411 4.521 410 381 A 79 PHE H A 39 VAL HG2% 1.0 0.411 4.521 411 382 A 40 LEU H A 39 VAL HG1% 1.0 0.356 3.916 412 382 A 40 LEU H A 39 VAL HG2% 1.0 0.356 3.916 413 383 A 61 VAL H A 61 VAL HG1% 1.0 0.381 4.191 414 384 A 49 LEU H A 49 LEU HD1% 1.0 0.496 5.456 415 385 A 39 VAL H A 39 VAL HG1% 1.0 0.306 3.366 416 385 A 39 VAL H A 39 VAL HG2% 1.0 0.306 3.366 417 386 A 75 GLY H A 39 VAL HG1% 1.0 0.396 4.356 418 386 A 75 GLY H A 39 VAL HG2% 1.0 0.396 4.356 419 387 A 62 GLY H A 61 VAL HG1% 1.0 0.419 4.609 420 388 A 22 THR H A 61 VAL HG1% 1.0 0.420 4.620 421 389 A 24 VAL H A 24 VAL HG1% 1.0 0.393 4.323 422 390 A 25 ILE H A 24 VAL HG1% 1.0 0.391 4.301 423 391 A 35 ARG H A 40 LEU HD2% 1.0 0.458 5.038 424 392 A 40 LEU HD1% A 45 GLU H 1.0 0.473 5.203 425 393 A 45 GLU H A 40 LEU HD2% 1.0 0.496 5.456 426 394 A 90 LEU H A 90 LEU HD1% 1.0 0.407 4.477 427 395 A 21 LEU H A 25 ILE HD1% 1.0 0.501 5.511 428 396 A 21 LEU H A 90 LEU HD2% 1.0 0.532 5.852 429 397 A 65 LEU H A 65 LEU HD1% 1.0 0.401 4.411 430 398 A 67 ILE H A 67 ILE HG2% 1.0 0.410 4.510 431 399 A 68 LEU H A 67 ILE HG2% 1.0 0.408 4.488 432 400 A 68 LEU H A 68 LEU HD1% 1.0 0.446 4.906 433 401 A 24 VAL H A 90 LEU HD2% 1.0 0.441 4.851 434 402 A 25 ILE H A 25 ILE HD1% 1.0 0.426 4.686 435 403 A 25 ILE H A 90 LEU HD2% 1.0 0.446 4.906 436 404 A 95 THR H A 95 THR HG2% 1.0 0.347 3.817 437 405 A 84 GLU H A 84 GLU HBy 1.0 0.327 3.597 438 406 A 85 LEU H A 84 GLU HBy 1.0 0.431 4.741 439 407 A 26 ASP H A 25 ILE HG2% 1.0 0.354 3.894 440 408 A 25 ILE H A 25 ILE HG2% 1.0 0.397 4.367 441 409 A 83 LEU H A 83 LEU HD2% 1.0 0.382 4.202 442 410 A 91 TYR H A 94 VAL HG2% 1.0 0.433 4.763 443 411 A 94 VAL H A 94 VAL HG2% 1.0 0.311 3.421 444 412 A 95 THR H A 94 VAL HG2% 1.0 0.370 4.070 445 413 A 80 LEU H A 80 LEU HD1% 1.0 0.393 4.323 446 414 A 83 LEU H A 83 LEU HD1% 1.0 0.408 4.488 447 415 A 85 LEU H A 85 LEU HD2% 1.0 0.441 4.851 448 416 A 94 VAL H A 94 VAL HG1% 1.0 0.333 3.663 449 417 A 95 THR H A 94 VAL HG1% 1.0 0.414 4.554 450 418 A 25 ILE H A 25 ILE HG1y 1.0 0.381 4.191 451 419 A 86 TYR H A 85 LEU HBy 1.0 0.400 4.400 452 420 A 86 TYR H A 85 LEU HD1% 1.0 0.442 4.862 453 421 A 85 LEU H A 85 LEU HBy 1.0 0.409 4.499 454 422 A 11 TRP HE1 A 76 TYR HBy 1.0 0.470 5.170 455 423 A 80 LEU H A 79 PHE HD% 1.0 0.450 4.950 456 424 A 83 LEU H A 85 LEU H 1.0 0.453 4.983 457 425 A 10 CYS H A 9 GLU H 1.0 0.448 4.928 458 426 A 41 ASN H A 44 ASP H 1.0 0.456 5.016 459 427 A 81 GLU H A 84 GLU H 1.0 0.501 5.511 460 428 A 84 GLU H A 82 SER H 1.0 0.522 5.742 461 429 A 36 GLN H A 34 LEU H 1.0 0.487 5.357 462 430 A 26 ASP H A 87 TYR HE% 1.0 0.445 4.895 463 431 A 79 PHE H A 77 VAL H 1.0 0.459 5.049 464 432 A 79 PHE H A 81 GLU H 1.0 0.452 4.972 465 433 A 79 PHE H A 79 PHE HD% 1.0 0.448 4.928 466 434 A 91 TYR H A 91 TYR HD% 1.0 0.452 4.972 467 435 A 72 GLY H A 75 GLY H 1.0 0.489 5.379 468 436 A 41 ASN H A 40 LEU HBy 1.0 0.459 5.049 469 437 A 26 ASP H A 25 ILE HG1x 1.0 0.487 5.357 470 438 A 54 LEU H A 54 LEU HG 1.0 0.500 5.500 471 439 A 76 TYR H A 76 TYR HD% 1.0 0.448 4.928 472 440 A 83 LEU H A 86 TYR HBx 1.0 0.466 5.126 473 440 A 83 LEU H A 86 TYR HBy 1.0 0.466 5.126 474 441 A 80 LEU H A 77 VAL HG1% 1.0 0.510 5.610 475 442 A 80 LEU H A 83 LEU HBx 1.0 0.550 6.050 476 443 A 84 GLU H A 85 LEU HG 1.0 0.465 5.115 477 444 A 11 TRP H A 10 CYS HBx 1.0 0.432 4.752 478 445 A 60 LYS H A 57 ARG HA 1.0 0.442 4.862 479 446 A 15 GLU H A 13 VAL HA 1.0 0.476 5.236 480 447 A 35 ARG H A 34 LEU HD1% 1.0 0.508 5.588 481 448 A 35 ARG H A 34 LEU HG 1.0 0.472 5.192 482 449 A 44 ASP H A 45 GLU HBy 1.0 0.525 5.775 483 450 A 69 GLN H A 65 LEU HA 1.0 0.446 4.906 484 451 A 60 LYS H A 56 ILE HG2% 1.0 0.458 5.038 485 452 A 87 TYR H A 88 PRO HDx 1.0 0.438 4.818 486 453 A 79 PHE H A 68 LEU HD1% 1.0 0.541 5.951 487 454 A 81 GLU H A 77 VAL HA 1.0 0.456 5.016 488 455 A 34 LEU H A 40 LEU HD2% 1.0 0.524 5.764 489 456 A 24 VAL H A 25 ILE HG1x 1.0 0.499 5.489 490 457 A 68 LEU H A 71 THR HG2% 1.0 0.543 5.973 491 458 A 69 GLN H A 68 LEU HD2% 1.0 0.473 5.203 492 459 A 87 TYR H A 85 LEU HBx 1.0 0.530 5.830 493 460 A 87 TYR H A 83 LEU HD2% 1.0 0.466 5.126 494 461 A 81 GLU H A 77 VAL HG1% 1.0 0.442 4.862 495 462 A 91 TYR H A 92 LYS HBx 1.0 0.467 5.137 496 462 A 91 TYR H A 92 LYS HBy 1.0 0.467 5.137 497 463 A 61 VAL H A 27 PRO HDx 1.0 0.481 5.291 498 464 A 84 GLU H A 83 LEU HD1% 1.0 0.484 5.324 499 465 A 64 LEU H A 67 ILE HD1% 1.0 0.514 5.654 500 466 A 87 TYR H A 83 LEU HBx 1.0 0.491 5.401 501 467 A 61 VAL H A 57 ARG HA 1.0 0.507 5.577 502 468 A 74 LYS H A 73 HIS HBy 1.0 0.449 4.939 503 469 A 55 VAL H A 56 ILE HB 1.0 0.504 5.544 504 470 A 55 VAL H A 54 LEU HBx 1.0 0.451 4.961 505 471 A 47 GLN H A 48 VAL HG2% 1.0 0.457 5.027 506 472 A 53 ASN H A 54 LEU HG 1.0 0.549 6.039 507 473 A 31 THR H A 32 PRO HGy 1.0 0.486 5.346 508 474 A 77 VAL H A 78 ALA HA 1.0 0.539 5.929 509 475 A 17 PHE H A 15 GLU HA 1.0 0.447 4.917 510 476 A 70 ARG H A 70 ARG HDx 1.0 0.526 5.786 511 477 A 70 ARG H A 70 ARG HDy 1.0 0.526 5.786 512 478 A 48 VAL H A 49 LEU HG 1.0 0.499 5.489 513 479 A 85 LEU H A 86 TYR HBx 1.0 0.444 4.884 514 479 A 85 LEU H A 86 TYR HBy 1.0 0.444 4.884 515 480 A 85 LEU H A 83 LEU HA 1.0 0.457 5.027 516 481 A 50 SER H A 48 VAL HG1% 1.0 0.529 5.819 517 482 A 50 SER H A 49 LEU HD1% 1.0 0.550 6.050 518 483 A 28 SER H A 27 PRO HGx 1.0 0.445 4.895 519 484 A 38 LYS H A 37 CYS HBy 1.0 0.487 5.357 520 485 A 86 TYR H A 83 LEU HA 1.0 0.436 4.796 521 486 A 48 VAL H A 45 GLU HA 1.0 0.462 5.082 522 487 A 38 LYS H A 39 VAL HG1% 1.0 0.449 4.939 523 487 A 38 LYS H A 39 VAL HG2% 1.0 0.449 4.939 524 488 A 39 VAL H A 38 LYS HBy 1.0 0.494 5.434 525 489 A 39 VAL H A 37 CYS HBy 1.0 0.490 5.390 526 490 A 39 VAL H A 78 ALA HB% 1.0 0.455 5.005 527 491 A 72 GLY H A 69 GLN HA 1.0 0.466 5.126 528 492 A 72 GLY H A 71 THR HG2% 1.0 0.444 4.884 529 493 A 71 THR H A 68 LEU HD2% 1.0 0.461 5.071 530 494 A 71 THR H A 70 ARG HBx 1.0 0.436 4.796 531 495 A 71 THR H A 69 GLN HA 1.0 0.452 4.972 532 496 A 22 THR H A 19 VAL HA 1.0 0.460 5.060 533 497 A 16 GLY H A 15 GLU HBx 1.0 0.469 5.159 534 498 A 30 ILE H A 28 SER HA 1.0 0.445 4.895 535 499 A 4 TYR H A 4 TYR HD% 1.0 0.480 5.280 536 500 A 5 GLU H A 5 GLU HGx 1.0 0.462 5.082 537 500 A 5 GLU H A 5 GLU HGy 1.0 0.462 5.082 538 501 A 4 TYR H A 3 ASP H 1.0 0.520 5.720 539 502 A 16 GLY H A 15 GLU HBy 1.0 0.469 5.159 540 503 A 17 PHE H A 21 LEU HD1% 1.0 0.461 5.071 541 504 A 17 PHE H A 14 LEU HD2% 1.0 0.495 5.445 542 505 A 18 ARG H A 19 VAL H 1.0 0.470 5.170 543 506 A 18 ARG H A 17 PHE HBx 1.0 0.496 5.456 544 507 A 20 THR H A 20 THR HG2% 1.0 0.440 4.840 545 508 A 20 THR H A 19 VAL HG2% 1.0 0.460 5.060 546 509 A 21 LEU H A 17 PHE HBx 1.0 0.489 5.379 547 510 A 22 THR H A 18 ARG HA 1.0 0.462 5.082 548 511 A 22 THR H A 21 LEU HD1% 1.0 0.458 5.038 549 512 A 22 THR H A 25 ILE HD1% 1.0 0.550 6.050 550 513 A 22 THR H A 65 LEU HD1% 1.0 0.550 6.050 551 514 A 22 THR H A 18 ARG HGy 1.0 0.550 6.050 552 515 A 22 THR H A 18 ARG HGx 1.0 0.550 6.050 553 516 A 23 SER H A 24 VAL HB 1.0 0.526 5.786 554 517 A 23 SER H A 20 THR HG2% 1.0 0.505 5.555 555 518 A 23 SER H A 24 VAL HG2% 1.0 0.466 5.126 556 519 A 23 SER H A 61 VAL HG1% 1.0 0.513 5.643 557 520 A 23 SER H A 90 LEU HD2% 1.0 0.550 6.050 558 521 A 22 THR H A 24 VAL H 1.0 0.542 5.962 559 522 A 24 VAL H A 25 ILE HB 1.0 0.509 5.599 560 523 A 23 SER H A 25 ILE H 1.0 0.504 5.544 561 524 A 25 ILE H A 26 ASP H 1.0 0.487 5.357 562 525 A 26 ASP H A 25 ILE HD1% 1.0 0.508 5.588 563 526 A 26 ASP H A 25 ILE HG1y 1.0 0.474 5.214 564 527 A 29 ARG H A 29 ARG HDx 1.0 0.550 6.050 565 528 A 29 ARG H A 29 ARG HDy 1.0 0.550 6.050 566 529 A 29 ARG H A 30 ILE HG1x 1.0 0.492 5.412 567 530 A 29 ARG H A 30 ILE HG2% 1.0 0.492 5.412 568 531 A 33 TYR H A 86 TYR HE% 1.0 0.550 6.050 569 532 A 20 THR H A 21 LEU HA 1.0 0.550 6.050 570 533 A 33 TYR H A 34 LEU HA 1.0 0.550 6.050 571 534 A 35 ARG H A 31 THR HA 1.0 0.457 5.027 572 535 A 37 CYS H A 36 GLN HGy 1.0 0.550 6.050 573 536 A 37 CYS H A 36 GLN HGx 1.0 0.550 6.050 574 537 A 36 GLN H A 38 LYS H 1.0 0.435 4.785 575 538 A 39 VAL H A 37 CYS HBx 1.0 0.490 5.390 576 539 A 39 VAL H A 38 LYS HBx 1.0 0.494 5.434 577 540 A 39 VAL H A 34 LEU HBy 1.0 0.499 5.489 578 541 A 39 VAL H A 34 LEU HD2% 1.0 0.532 5.852 579 542 A 40 LEU H A 34 LEU HBx 1.0 0.528 5.808 580 543 A 40 LEU H A 34 LEU HBy 1.0 0.474 5.214 581 544 A 41 ASN H A 40 LEU H 1.0 0.498 5.478 582 545 A 41 ASN H A 42 PRO HDx 1.0 0.473 5.203 583 545 A 41 ASN H A 42 PRO HDy 1.0 0.473 5.203 584 546 A 44 ASP H A 42 PRO HA 1.0 0.490 5.390 585 547 A 44 ASP H A 42 PRO HDx 1.0 0.466 5.126 586 547 A 44 ASP H A 42 PRO HDy 1.0 0.466 5.126 587 548 A 44 ASP H A 45 GLU HBx 1.0 0.525 5.775 588 549 A 44 ASP H A 47 GLN HBx 1.0 0.550 6.050 589 549 A 44 ASP H A 47 GLN HBy 1.0 0.550 6.050 590 550 A 40 LEU HD1% A 44 ASP H 1.0 0.550 6.050 591 551 A 44 ASP H A 40 LEU HD2% 1.0 0.549 6.039 592 552 A 41 ASN H A 45 GLU H 1.0 0.480 5.280 593 553 A 45 GLU H A 40 LEU HG 1.0 0.452 4.972 594 554 A 48 VAL H A 50 SER H 1.0 0.503 5.533 595 555 A 50 SER H A 49 LEU HD2% 1.0 0.520 5.720 596 556 A 53 ASN H A 51 ASP HA 1.0 0.470 5.170 597 557 A 67 ILE HD1% A 47 GLN HE22 1.0 0.494 5.434 598 558 A 67 ILE HD1% A 47 GLN HE21 1.0 0.494 5.434 599 559 A 48 VAL H A 49 LEU HBy 1.0 0.481 5.291 600 560 A 61 VAL H A 22 THR HG2% 1.0 0.510 5.610 601 561 A 65 LEU H A 68 LEU HBy 1.0 0.550 6.050 602 562 A 60 LYS H A 62 GLY H 1.0 0.489 5.379 603 563 A 62 GLY H A 58 LYS HA 1.0 0.550 6.050 604 564 A 62 GLY H A 65 LEU HD1% 1.0 0.523 5.753 605 565 A 61 VAL H A 63 VAL H 1.0 0.484 5.324 606 566 A 65 LEU H A 63 VAL H 1.0 0.515 5.665 607 567 A 63 VAL H A 65 LEU HBx 1.0 0.550 6.050 608 568 A 64 LEU H A 60 LYS HA 1.0 0.461 5.071 609 569 A 67 ILE H A 63 VAL HA 1.0 0.550 6.050 610 570 A 66 ASP H A 64 LEU HA 1.0 0.467 5.137 611 571 A 66 ASP H A 65 LEU HD1% 1.0 0.466 5.126 612 572 A 67 ILE H A 69 GLN H 1.0 0.466 5.126 613 573 A 69 GLN H A 67 ILE HA 1.0 0.482 5.302 614 574 A 71 THR H A 67 ILE HG2% 1.0 0.529 5.819 615 575 A 72 GLY H A 70 ARG H 1.0 0.497 5.467 616 576 A 72 GLY H A 71 THR HG1 1.0 0.499 5.489 617 577 A 75 GLY H A 77 VAL H 1.0 0.514 5.654 618 578 A 75 GLY H A 71 THR HG2% 1.0 0.504 5.544 619 579 A 76 TYR H A 73 HIS H 1.0 0.533 5.863 620 580 A 74 LYS H A 76 TYR H 1.0 0.550 6.050 621 581 A 77 VAL H A 78 ALA HB% 1.0 0.484 5.324 622 582 A 78 ALA H A 79 PHE HBy 1.0 0.515 5.665 623 583 A 79 PHE H A 76 TYR HA 1.0 0.454 4.994 624 584 A 79 PHE H A 80 LEU HG 1.0 0.472 5.192 625 585 A 80 LEU H A 81 GLU HBx 1.0 0.499 5.489 626 586 A 81 GLU H A 80 LEU HD1% 1.0 0.487 5.357 627 587 A 82 SER H A 85 LEU HD1% 1.0 0.521 5.731 628 588 A 83 LEU H A 87 TYR H 1.0 0.522 5.742 629 589 A 83 LEU H A 33 TYR HE% 1.0 0.550 6.050 630 590 A 83 LEU H A 79 PHE HA 1.0 0.469 5.159 631 591 A 83 LEU H A 81 GLU HA 1.0 0.462 5.082 632 592 A 83 LEU H A 30 ILE HG2% 1.0 0.525 5.775 633 593 A 83 LEU H A 30 ILE HD1% 1.0 0.550 6.050 634 594 A 84 GLU H A 91 TYR HE% 1.0 0.506 5.566 635 595 A 84 GLU H A 85 LEU HA 1.0 0.550 6.050 636 596 A 84 GLU H A 80 LEU HA 1.0 0.492 5.412 637 597 A 87 TYR H A 85 LEU H 1.0 0.479 5.269 638 598 A 85 LEU H A 81 GLU HA 1.0 0.498 5.478 639 599 A 86 TYR H A 88 PRO HDy 1.0 0.473 5.203 640 600 A 86 TYR H A 85 LEU HD2% 1.0 0.481 5.291 641 601 A 87 TYR H A 83 LEU HD1% 1.0 0.508 5.588 642 602 A 90 LEU H A 91 TYR HA 1.0 0.546 6.006 643 603 A 90 LEU H A 91 TYR HBy 1.0 0.466 5.126 644 604 A 90 LEU H A 89 GLN HGy 1.0 0.518 5.698 645 605 A 91 TYR H A 90 LEU HD1% 1.0 0.516 5.676 646 606 A 91 TYR H A 90 LEU HD2% 1.0 0.544 5.984 647 607 A 91 TYR H A 83 LEU HD1% 1.0 0.532 5.852 648 608 A 91 TYR H A 94 VAL HG1% 1.0 0.550 6.050 649 609 A 91 TYR H A 93 LYS H 1.0 0.468 5.148 650 610 A 93 LYS H A 94 VAL HG1% 1.0 0.468 5.148 651 611 A 93 LYS H A 90 LEU HD1% 1.0 0.512 5.632 652 612 A 91 TYR H A 94 VAL H 1.0 0.504 5.544 653 613 A 94 VAL H A 90 LEU HA 1.0 0.486 5.346 654 614 A 94 VAL H A 93 LYS HGx 1.0 0.496 5.456 655 615 A 94 VAL H A 14 LEU HD2% 1.0 0.496 5.456 656 616 A 94 VAL H A 90 LEU HD1% 1.0 0.477 5.247 657 617 A 95 THR H A 92 LYS HBx 1.0 0.534 5.874 658 617 A 95 THR H A 92 LYS HBy 1.0 0.534 5.874 659 618 A 96 GLY H A 92 LYS HA 1.0 0.468 5.148 660 619 A 96 GLY H A 95 THR HG2% 1.0 0.472 5.192 661 620 A 36 GLN H A 34 LEU HA 1.0 0.486 5.346 662 621 A 14 LEU HD1% A 11 TRP HE3 1.0 0.423 4.653 663 622 A 11 TRP HD1 A 11 TRP HA 1.0 0.448 4.928 664 623 A 11 TRP HD1 A 69 GLN HA 1.0 0.469 5.159 665 624 A 4 TYR HD% A 4 TYR HA 1.0 0.403 4.433 666 625 A 33 TYR HD% A 33 TYR HA 1.0 0.371 4.081 667 626 A 33 TYR HD% A 82 SER HA 1.0 0.421 4.631 668 627 A 83 LEU HD1% A 79 PHE HD% 1.0 0.358 3.938 669 628 A 34 LEU HD2% A 79 PHE HD% 1.0 0.331 3.641 670 629 A 34 LEU HD2% A 79 PHE HE% 1.0 0.348 3.828 671 630 A 83 LEU HD2% A 79 PHE HE% 1.0 0.385 4.235 672 631 A 83 LEU HD1% A 79 PHE HZ 1.0 0.414 4.554 673 632 A 68 LEU HBx A 11 TRP HH2 1.0 0.411 4.521 674 633 A 68 LEU HD1% A 11 TRP HH2 1.0 0.412 4.532 675 634 A 11 TRP HZ2 A 75 GLY HAy 1.0 0.485 5.335 676 635 A 11 TRP HZ2 A 68 LEU HBx 1.0 0.418 4.598 677 636 A 87 TYR HE% A 29 ARG HBx 1.0 0.411 4.521 678 636 A 29 ARG HBy A 87 TYR HE% 1.0 0.411 4.521 679 637 A 87 TYR HE% A 86 TYR HBx 1.0 0.403 4.433 680 637 A 86 TYR HBy A 87 TYR HE% 1.0 0.403 4.433 681 638 A 30 ILE HG2% A 86 TYR HE% 1.0 0.400 4.400 682 639 A 85 LEU HD1% A 86 TYR HE% 1.0 0.396 4.356 683 640 A 14 LEU HBy A 11 TRP HE3 1.0 0.464 5.104 684 641 A 68 LEU HBy A 11 TRP HH2 1.0 0.437 4.807 685 642 A 24 VAL HG1% A 87 TYR HE% 1.0 0.397 4.367 686 643 A 25 ILE HG2% A 87 TYR HE% 1.0 0.403 4.433 687 644 A 83 LEU HD2% A 87 TYR HE% 1.0 0.440 4.840 688 645 A 17 PHE HD% A 17 PHE HA 1.0 0.380 4.180 689 646 A 87 TYR HD% A 87 TYR HA 1.0 0.393 4.323 690 647 A 26 ASP HA A 27 PRO HDy 1.0 0.353 3.883 691 648 A 27 PRO HDx A 26 ASP HA 1.0 0.351 3.861 692 649 A 41 ASN HA A 42 PRO HDx 1.0 0.313 3.443 693 649 A 42 PRO HDy A 41 ASN HA 1.0 0.313 3.443 694 650 A 49 LEU HD2% A 31 THR HB 1.0 0.390 4.290 695 651 A 88 PRO HA A 91 TYR HBy 1.0 0.375 4.125 696 652 A 88 PRO HA A 84 GLU HA 1.0 0.406 4.466 697 653 A 63 VAL HA A 66 ASP HBx 1.0 0.444 4.884 698 654 A 19 VAL HA A 19 VAL HG2% 1.0 0.341 3.751 699 655 A 67 ILE HA A 67 ILE HG1x 1.0 0.409 4.499 700 656 A 61 VAL HA A 64 LEU HBx 1.0 0.393 4.323 701 657 A 61 VAL HA A 64 LEU HBy 1.0 0.393 4.323 702 658 A 77 VAL HA A 77 VAL HG1% 1.0 0.339 3.729 703 659 A 25 ILE HA A 25 ILE HG1x 1.0 0.398 4.378 704 660 A 94 VAL HG1% A 94 VAL HA 1.0 0.335 3.685 705 661 A 25 ILE HA A 25 ILE HG1y 1.0 0.382 4.202 706 662 A 91 TYR HBy A 84 GLU HA 1.0 0.399 4.389 707 663 A 91 TYR HBx A 84 GLU HA 1.0 0.395 4.345 708 664 A 84 GLU HA A 84 GLU HGx 1.0 0.418 4.598 709 665 A 84 GLU HA A 84 GLU HGy 1.0 0.418 4.598 710 666 A 48 VAL HB A 45 GLU HA 1.0 0.402 4.422 711 667 A 92 LYS HA A 92 LYS HGx 1.0 0.383 4.213 712 668 A 85 LEU HG A 85 LEU HA 1.0 0.411 4.521 713 669 A 65 LEU HA A 68 LEU HD1% 1.0 0.383 4.213 714 670 A 91 TYR HD% A 91 TYR HA 1.0 0.458 5.038 715 671 A 94 VAL HG2% A 91 TYR HA 1.0 0.352 3.872 716 672 A 18 ARG HA A 18 ARG HGy 1.0 0.414 4.554 717 673 A 18 ARG HA A 21 LEU HD1% 1.0 0.372 4.092 718 674 A 47 GLN HA A 48 VAL HA 1.0 0.465 5.115 719 675 A 49 LEU HD2% A 28 SER HBx 1.0 0.391 4.301 720 675 A 28 SER HBy A 49 LEU HD2% 1.0 0.391 4.301 721 676 A 27 PRO HA A 30 ILE HG1y 1.0 0.415 4.565 722 677 A 13 VAL HG1% A 13 VAL HA 1.0 0.346 3.806 723 678 A 13 VAL HG2% A 13 VAL HA 1.0 0.374 4.114 724 679 A 71 THR HG2% A 71 THR HA 1.0 0.342 3.762 725 680 A 79 PHE HD% A 79 PHE HA 1.0 0.359 3.949 726 681 A 11 TRP HA A 11 TRP HE3 1.0 0.417 4.587 727 682 A 57 ARG HA A 57 ARG HGy 1.0 0.412 4.532 728 683 A 81 GLU HA A 81 GLU HGy 1.0 0.418 4.598 729 684 A 81 GLU HA A 84 GLU HBx 1.0 0.389 4.279 730 685 A 64 LEU HA A 67 ILE HB 1.0 0.374 4.114 731 686 A 64 LEU HA A 64 LEU HG 1.0 0.419 4.609 732 687 A 68 LEU HA A 68 LEU HG 1.0 0.395 4.345 733 688 A 83 LEU HA A 87 TYR HBx 1.0 0.397 4.367 734 689 A 49 LEU H A 46 GLU HA 1.0 0.426 4.686 735 690 A 89 GLN HA A 92 LYS HD2 1.0 0.448 4.928 736 690 A 89 GLN HA A 92 LYS HD3 1.0 0.448 4.928 737 691 A 49 LEU HG A 49 LEU HA 1.0 0.414 4.554 738 692 A 43 ASP HA A 46 GLU HBx 1.0 0.341 3.751 739 692 A 43 ASP HA A 46 GLU HBy 1.0 0.341 3.751 740 693 A 17 PHE HD% A 14 LEU HA 1.0 0.389 4.279 741 694 A 78 ALA HA A 81 GLU HBx 1.0 0.387 4.257 742 695 A 78 ALA HA A 39 VAL HG1% 1.0 0.445 4.895 743 695 A 78 ALA HA A 39 VAL HG2% 1.0 0.445 4.895 744 696 A 78 ALA HA A 77 VAL HG1% 1.0 0.471 5.181 745 697 A 40 LEU HA A 40 LEU HG 1.0 0.422 4.642 746 698 A 31 THR H A 32 PRO HDy 1.0 0.410 4.510 747 699 A 61 VAL HG2% A 27 PRO HDy 1.0 0.412 4.532 748 700 A 42 PRO HDy A 41 ASN HBx 1.0 0.365 4.015 749 700 A 41 ASN HBx A 42 PRO HDx 1.0 0.365 4.015 750 701 A 88 PRO HDx A 87 TYR HA 1.0 0.352 3.872 751 702 A 88 PRO HDy A 87 TYR HA 1.0 0.388 4.268 752 703 A 86 TYR HD% A 86 TYR HA 1.0 0.372 4.092 753 704 A 20 THR HA A 24 VAL HG2% 1.0 0.405 4.455 754 705 A 31 THR HA A 40 LEU HD2% 1.0 0.437 4.807 755 706 A 97 LYS HA A 96 GLY HAx 1.0 0.409 4.499 756 706 A 96 GLY HAy A 97 LYS HA 1.0 0.409 4.499 757 707 A 87 TYR HBy A 90 LEU HBy 1.0 0.392 4.312 758 708 A 34 LEU HBx A 34 LEU HD1% 1.0 0.357 3.927 759 709 A 34 LEU HBy A 34 LEU HD1% 1.0 0.372 4.092 760 710 A 14 LEU HBx A 14 LEU HD2% 1.0 0.416 4.576 761 711 A 54 LEU HD2% A 54 LEU HBy 1.0 0.374 4.114 762 712 A 68 LEU HBy A 64 LEU HD1% 1.0 0.440 4.840 763 713 A 40 LEU HD1% A 34 LEU HBx 1.0 0.534 5.874 764 714 A 34 LEU HBy A 39 VAL HG1% 1.0 0.376 4.136 765 714 A 34 LEU HBy A 39 VAL HG2% 1.0 0.376 4.136 766 715 A 64 LEU HD2% A 64 LEU HBy 1.0 0.344 3.784 767 716 A 90 LEU HBx A 90 LEU HD2% 1.0 0.376 4.136 768 717 A 65 LEU HBy A 65 LEU HD1% 1.0 0.393 4.323 769 718 A 68 LEU HBx A 68 LEU HD1% 1.0 0.372 4.092 770 719 A 68 LEU HBy A 68 LEU HD1% 1.0 0.392 4.312 771 720 A 80 LEU HBx A 80 LEU HD1% 1.0 0.385 4.235 772 721 A 80 LEU HBy A 80 LEU HD1% 1.0 0.400 4.400 773 722 A 40 LEU HD1% A 40 LEU HBx 1.0 0.396 4.356 774 723 A 40 LEU HD2% A 40 LEU HBx 1.0 0.413 4.543 775 724 A 40 LEU HD1% A 40 LEU HBy 1.0 0.396 4.356 776 725 A 40 LEU HD2% A 40 LEU HBy 1.0 0.413 4.543 777 726 A 85 LEU HD2% A 85 LEU HBy 1.0 0.395 4.345 778 727 A 42 PRO HDy A 41 ASN HBy 1.0 0.365 4.015 779 727 A 41 ASN HBy A 42 PRO HDx 1.0 0.365 4.015 780 728 A 17 PHE HBx A 14 LEU HD2% 1.0 0.400 4.400 781 729 A 67 ILE HG2% A 44 ASP HBy 1.0 0.404 4.444 782 730 A 81 GLU H A 81 GLU HGx 1.0 0.403 4.433 783 731 A 47 GLN H A 47 GLN HGy 1.0 0.481 5.291 784 732 A 15 GLU H A 15 GLU HGx 1.0 0.403 4.433 785 732 A 15 GLU H A 15 GLU HGy 1.0 0.403 4.433 786 733 A 25 ILE HB A 21 LEU HBx 1.0 0.446 4.906 787 734 A 67 ILE HB A 67 ILE HD1% 1.0 0.396 4.356 788 735 A 93 LYS H A 93 LYS HBx 1.0 0.367 4.037 789 736 A 88 PRO HBx A 92 LYS HBx 1.0 0.486 5.346 790 736 A 92 LYS HBy A 88 PRO HBx 1.0 0.486 5.346 791 737 A 61 VAL HG2% A 27 PRO HBy 1.0 0.396 4.356 792 737 A 27 PRO HBx A 61 VAL HG2% 1.0 0.396 4.356 793 738 A 67 ILE HD1% A 47 GLN HBx 1.0 0.439 4.829 794 738 A 47 GLN HBy A 67 ILE HD1% 1.0 0.439 4.829 795 739 A 36 GLN H A 36 GLN HBy 1.0 0.388 4.268 796 740 A 78 ALA HB% A 37 CYS HBx 1.0 0.413 4.543 797 741 A 78 ALA HB% A 37 CYS HBy 1.0 0.413 4.543 798 742 A 39 VAL HG2% A 37 CYS HBx 1.0 0.398 4.378 799 742 A 37 CYS HBx A 39 VAL HG1% 1.0 0.398 4.378 800 743 A 11 TRP H A 11 TRP HBy 1.0 0.391 4.301 801 744 A 67 ILE H A 67 ILE HG1y 1.0 0.403 4.433 802 745 A 45 GLU H A 45 GLU HBy 1.0 0.383 4.213 803 746 A 38 LYS HA A 38 LYS HDy 1.0 0.411 4.521 804 747 A 29 ARG HA A 29 ARG HGy 1.0 0.425 4.675 805 748 A 29 ARG HGx A 29 ARG HA 1.0 0.404 4.444 806 749 A 34 LEU HG A 30 ILE HG1y 1.0 0.460 5.060 807 750 A 30 ILE HG1y A 34 LEU HD1% 1.0 0.359 3.949 808 751 A 25 ILE HG1x A 90 LEU HD2% 1.0 0.409 4.499 809 752 A 30 ILE HG1x A 30 ILE HG2% 1.0 0.357 3.927 810 753 A 83 LEU HD2% A 25 ILE HG1y 1.0 0.465 5.115 811 754 A 31 THR HG2% A 49 LEU HD1% 1.0 0.273 3.003 812 755 A 96 GLY H A 95 THR HB 1.0 0.498 5.478 813 756 A 17 PHE HD% A 94 VAL HA 1.0 0.418 4.598 814 757 A 25 ILE HA A 87 TYR HE% 1.0 0.452 4.972 815 758 A 82 SER H A 79 PHE HA 1.0 0.471 5.181 816 759 A 11 TRP HZ2 A 76 TYR HA 1.0 0.401 4.411 817 760 A 94 VAL H A 91 TYR HA 1.0 0.424 4.664 818 761 A 36 GLN H A 33 TYR HA 1.0 0.454 4.994 819 762 A 31 THR H A 28 SER HA 1.0 0.445 4.895 820 763 A 73 HIS HA A 73 HIS HD2 1.0 0.444 4.884 821 764 A 91 TYR HD% A 84 GLU HA 1.0 0.447 4.917 822 765 A 91 TYR HD% A 92 LYS HA 1.0 0.476 5.236 823 766 A 68 LEU H A 64 LEU HA 1.0 0.550 6.050 824 767 A 51 ASP H A 49 LEU HA 1.0 0.485 5.335 825 768 A 11 TRP HA A 11 TRP HZ3 1.0 0.516 5.676 826 769 A 72 GLY H A 70 ARG HA 1.0 0.448 4.928 827 770 A 76 TYR HD% A 76 TYR HA 1.0 0.428 4.708 828 771 A 76 TYR HA A 11 TRP HH2 1.0 0.533 5.863 829 772 A 11 TRP HZ2 A 75 GLY HAx 1.0 0.485 5.335 830 773 A 33 TYR H A 32 PRO HDy 1.0 0.511 5.621 831 774 A 20 THR HB A 17 PHE HA 1.0 0.446 4.906 832 775 A 71 THR HB A 68 LEU HD2% 1.0 0.446 4.906 833 776 A 77 VAL HA A 80 LEU HD1% 1.0 0.441 4.851 834 777 A 77 VAL HA A 80 LEU HBx 1.0 0.413 4.543 835 778 A 63 VAL HA A 66 ASP HBy 1.0 0.444 4.884 836 779 A 44 ASP HA A 67 ILE HD1% 1.0 0.401 4.411 837 780 A 81 GLU HA A 84 GLU HBy 1.0 0.418 4.598 838 781 A 80 LEU HA A 83 LEU HBx 1.0 0.413 4.543 839 782 A 61 VAL HG1% A 58 LYS HA 1.0 0.545 5.995 840 783 A 32 PRO HGy A 31 THR HB 1.0 0.485 5.335 841 784 A 24 VAL HG2% A 23 SER HBy 1.0 0.454 4.994 842 785 A 12 SER HA A 15 GLU HGx 1.0 0.427 4.697 843 785 A 12 SER HA A 15 GLU HGy 1.0 0.427 4.697 844 786 A 77 VAL HA A 80 LEU HBy 1.0 0.454 4.994 845 787 A 91 TYR HA A 90 LEU HG 1.0 0.507 5.577 846 788 A 84 GLU HBx A 85 LEU HA 1.0 0.503 5.533 847 789 A 14 LEU HA A 17 PHE HBx 1.0 0.455 5.005 848 790 A 48 VAL HB A 49 LEU HA 1.0 0.438 4.818 849 791 A 18 ARG HA A 65 LEU HD1% 1.0 0.428 4.708 850 792 A 85 LEU HA A 84 GLU HA 1.0 0.471 5.181 851 793 A 81 GLU HA A 84 GLU HA 1.0 0.528 5.808 852 794 A 32 PRO HDx A 30 ILE HA 1.0 0.465 5.115 853 795 A 27 PRO HDx A 57 ARG HDx 1.0 0.468 5.148 854 795 A 27 PRO HDx A 57 ARG HDy 1.0 0.468 5.148 855 796 A 61 VAL HG1% A 27 PRO HDx 1.0 0.460 5.060 856 797 A 95 THR H A 96 GLY HAx 1.0 0.466 5.126 857 797 A 95 THR H A 96 GLY HAy 1.0 0.466 5.126 858 798 A 30 ILE H A 32 PRO HDx 1.0 0.515 5.665 859 799 A 78 ALA HB% A 75 GLY HAy 1.0 0.453 4.983 860 800 A 39 VAL HB A 75 GLY HAy 1.0 0.461 5.071 861 801 A 39 VAL HB A 75 GLY HAx 1.0 0.461 5.071 862 802 A 71 THR HG2% A 75 GLY HAx 1.0 0.513 5.643 863 803 A 25 ILE HG2% A 27 PRO HDy 1.0 0.513 5.643 864 804 A 32 PRO HDx A 30 ILE HG2% 1.0 0.499 5.489 865 805 A 18 ARG HBx A 18 ARG HDx 1.0 0.415 4.565 866 806 A 51 ASP HBx A 52 PRO HDx 1.0 0.550 6.050 867 807 A 83 LEU HA A 87 TYR HBy 1.0 0.548 6.028 868 808 A 90 LEU HA A 87 TYR HBy 1.0 0.550 6.050 869 809 A 86 TYR HE% A 33 TYR HBy 1.0 0.462 5.082 870 810 A 22 THR H A 21 LEU HBx 1.0 0.498 5.478 871 811 A 49 LEU H A 49 LEU HBx 1.0 0.412 4.532 872 812 A 11 TRP HZ2 A 68 LEU HBy 1.0 0.465 5.115 873 813 A 74 LYS HEy A 74 LYS HGx 1.0 0.410 4.510 874 813 A 74 LYS HEx A 74 LYS HGx 1.0 0.410 4.510 875 814 A 87 TYR HBy A 90 LEU HBx 1.0 0.418 4.598 876 815 A 87 TYR HBy A 83 LEU HD2% 1.0 0.433 4.763 877 816 A 87 TYR HBx A 83 LEU HD2% 1.0 0.413 4.543 878 817 A 87 TYR HBx A 25 ILE HD1% 1.0 0.484 5.324 879 818 A 87 TYR HBx A 90 LEU HBx 1.0 0.413 4.543 880 819 A 17 PHE HBx A 21 LEU HG 1.0 0.415 4.565 881 820 A 17 PHE HBy A 21 LEU HG 1.0 0.413 4.543 882 821 A 17 PHE HBy A 21 LEU HD1% 1.0 0.407 4.477 883 822 A 29 ARG HGy A 86 TYR HBx 1.0 0.543 5.973 884 822 A 86 TYR HBy A 29 ARG HGy 1.0 0.543 5.973 885 823 A 79 PHE HBx A 14 LEU HD1% 1.0 0.484 5.324 886 824 A 79 PHE HBx A 34 LEU HD2% 1.0 0.537 5.907 887 825 A 54 LEU HD2% A 53 ASN HBx 1.0 0.550 6.050 888 826 A 54 LEU HD2% A 53 ASN HBy 1.0 0.550 6.050 889 827 A 46 GLU H A 46 GLU HGy 1.0 0.477 5.247 890 828 A 47 GLN H A 47 GLN HGx 1.0 0.481 5.291 891 829 A 69 GLN H A 69 GLN HGx 1.0 0.488 5.368 892 830 A 92 LYS H A 91 TYR HBx 1.0 0.433 4.763 893 831 A 79 PHE HBx A 11 TRP HH2 1.0 0.468 5.148 894 832 A 91 TYR HD% A 83 LEU HBx 1.0 0.424 4.664 895 833 A 54 LEU HD1% A 51 ASP HBy 1.0 0.453 4.983 896 834 A 85 LEU HBx A 86 TYR HBx 1.0 0.481 5.291 897 834 A 86 TYR HBy A 85 LEU HBx 1.0 0.481 5.291 898 835 A 90 LEU HBy A 94 VAL HG1% 1.0 0.487 5.357 899 836 A 79 PHE HBy A 68 LEU HD1% 1.0 0.457 5.027 900 837 A 91 TYR HBx A 83 LEU HBy 1.0 0.433 4.763 901 838 A 91 TYR HBx A 83 LEU HBx 1.0 0.419 4.609 902 839 A 88 PRO HA A 91 TYR HBx 1.0 0.406 4.466 903 840 A 81 GLU HA A 81 GLU HGx 1.0 0.418 4.598 904 841 A 73 HIS HA A 76 TYR HBy 1.0 0.444 4.884 905 842 A 30 ILE HB A 33 TYR HBx 1.0 0.473 5.203 906 843 A 30 ILE HB A 33 TYR HBy 1.0 0.473 5.203 907 844 A 65 LEU HA A 68 LEU HBx 1.0 0.435 4.785 908 845 A 17 PHE HBx A 94 VAL HG1% 1.0 0.449 4.939 909 846 A 48 VAL HG2% A 47 GLN HGx 1.0 0.448 4.928 910 847 A 60 LYS HA A 63 VAL HB 1.0 0.409 4.499 911 848 A 91 TYR HBy A 83 LEU HBy 1.0 0.463 5.093 912 849 A 69 GLN H A 69 GLN HGy 1.0 0.488 5.368 913 850 A 33 TYR HD% A 30 ILE HB 1.0 0.506 5.566 914 851 A 41 ASN H A 44 ASP HBx 1.0 0.478 5.258 915 852 A 36 GLN H A 35 ARG HBy 1.0 0.433 4.763 916 853 A 38 LYS H A 37 CYS HBx 1.0 0.487 5.357 917 854 A 34 LEU HD1% A 79 PHE HD% 1.0 0.435 4.785 918 855 A 14 LEU HG A 76 TYR HE% 1.0 0.476 5.236 919 856 A 29 ARG H A 29 ARG HGy 1.0 0.472 5.192 920 857 A 68 LEU H A 68 LEU HG 1.0 0.519 5.709 921 858 A 14 LEU HD1% A 79 PHE HD% 1.0 0.361 3.971 922 859 A 11 TRP HZ2 A 68 LEU HD1% 1.0 0.409 4.499 923 860 A 68 LEU HD1% A 79 PHE HD% 1.0 0.470 5.170 924 861 A 65 LEU H A 68 LEU HD1% 1.0 0.493 5.423 925 862 A 69 GLN H A 68 LEU HD1% 1.0 0.499 5.489 926 863 A 21 LEU HD1% A 79 PHE HE% 1.0 0.425 4.675 927 864 A 92 LYS H A 92 LYS HGx 1.0 0.455 5.005 928 865 A 93 LYS H A 93 LYS HGy 1.0 0.472 5.192 929 866 A 90 LEU H A 90 LEU HG 1.0 0.476 5.236 930 867 A 14 LEU HD1% A 76 TYR HE% 1.0 0.401 4.411 931 868 A 14 LEU HD1% A 11 TRP HZ3 1.0 0.409 4.499 932 869 A 94 VAL HB A 14 LEU HD2% 1.0 0.429 4.719 933 870 A 34 LEU HA A 37 CYS HBx 1.0 0.469 5.159 934 871 A 27 PRO HA A 30 ILE HG1x 1.0 0.419 4.609 935 872 A 44 ASP HA A 47 GLN HBx 1.0 0.410 4.510 936 872 A 44 ASP HA A 47 GLN HBy 1.0 0.410 4.510 937 873 A 94 VAL HG2% A 90 LEU HG 1.0 0.410 4.510 938 874 A 67 ILE HA A 67 ILE HG1y 1.0 0.409 4.499 939 875 A 84 GLU HBy A 91 TYR HE% 1.0 0.474 5.214 940 876 A 27 PRO HA A 34 LEU HD1% 1.0 0.381 4.191 941 877 A 68 LEU HA A 68 LEU HD1% 1.0 0.421 4.631 942 878 A 49 LEU HBy A 49 LEU HD1% 1.0 0.334 3.674 943 879 A 64 LEU HD2% A 64 LEU HBx 1.0 0.344 3.784 944 880 A 14 LEU HBy A 14 LEU HD1% 1.0 0.336 3.696 945 881 A 21 LEU HBy A 21 LEU HD1% 1.0 0.328 3.608 946 882 A 14 LEU HBx A 14 LEU HD1% 1.0 0.349 3.839 947 883 A 14 LEU HD1% A 83 LEU HD1% 1.0 0.347 3.817 948 884 A 65 LEU HD1% A 62 GLY HAy 1.0 0.429 4.719 949 885 A 85 LEU H A 85 LEU HD1% 1.0 0.410 4.510 950 886 A 95 THR HG2% A 91 TYR HE% 1.0 0.402 4.422 951 887 A 79 PHE HE% A 65 LEU HD2% 1.0 0.448 4.928 952 888 A 24 VAL H A 20 THR HG2% 1.0 0.418 4.598 953 889 A 25 ILE HD1% A 79 PHE HE% 1.0 0.336 3.696 954 890 A 25 ILE HD1% A 79 PHE HZ 1.0 0.384 4.224 955 891 A 30 ILE HD1% A 79 PHE HE% 1.0 0.328 3.608 956 892 A 33 TYR HD% A 30 ILE HG2% 1.0 0.387 4.257 957 893 A 30 ILE HG2% A 87 TYR HE% 1.0 0.348 3.828 958 894 A 93 LYS H A 94 VAL HG2% 1.0 0.386 4.246 959 895 A 34 LEU H A 34 LEU HD2% 1.0 0.401 4.411 960 896 A 21 LEU HD2% A 79 PHE HE% 1.0 0.345 3.795 961 897 A 25 ILE HG2% A 79 PHE HZ 1.0 0.412 4.532 962 898 A 67 ILE H A 67 ILE HD1% 1.0 0.424 4.664 963 899 A 56 ILE H A 56 ILE HD1% 1.0 0.452 4.972 964 900 A 56 ILE HB A 56 ILE HD1% 1.0 0.351 3.861 965 901 A 54 LEU HA A 54 LEU HD1% 1.0 0.394 4.334 966 902 A 33 TYR H A 30 ILE HG2% 1.0 0.548 6.028 967 903 A 31 THR H A 30 ILE HG2% 1.0 0.455 5.005 968 904 A 38 LYS H A 78 ALA HB% 1.0 0.550 6.050 969 905 A 91 TYR HD% A 95 THR HG2% 1.0 0.434 4.774 970 906 A 30 ILE H A 31 THR HG2% 1.0 0.479 5.269 971 907 A 94 VAL HG2% A 94 VAL HA 1.0 0.356 3.916 972 908 A 30 ILE HB A 30 ILE HD1% 1.0 0.383 4.213 973 909 A 25 ILE HB A 25 ILE HD1% 1.0 0.332 3.652 974 910 A 21 LEU HBx A 25 ILE HD1% 1.0 0.342 3.762 975 911 A 21 LEU HA A 25 ILE HD1% 1.0 0.384 4.224 976 912 A 27 PRO HA A 30 ILE HD1% 1.0 0.425 4.675 977 913 A 21 LEU HBy A 25 ILE HD1% 1.0 0.414 4.554 978 914 A 21 LEU HG A 25 ILE HD1% 1.0 0.438 4.818 979 915 A 83 LEU HD2% A 30 ILE HD1% 1.0 0.379 4.169 980 916 A 30 ILE HD1% A 27 PRO HBy 1.0 0.463 5.093 981 916 A 27 PRO HBx A 30 ILE HD1% 1.0 0.463 5.093 982 917 A 30 ILE HD1% A 86 TYR HBx 1.0 0.463 5.093 983 917 A 86 TYR HBy A 30 ILE HD1% 1.0 0.463 5.093 984 918 A 25 ILE HG2% A 30 ILE HD1% 1.0 0.327 3.597 985 919 A 25 ILE HA A 25 ILE HG2% 1.0 0.363 3.993 986 920 A 25 ILE HG2% A 26 ASP HA 1.0 0.467 5.137 987 921 A 30 ILE HG1y A 30 ILE HG2% 1.0 0.341 3.751 988 922 A 30 ILE HG2% A 86 TYR HBx 1.0 0.352 3.872 989 922 A 86 TYR HBy A 30 ILE HG2% 1.0 0.352 3.872 990 923 A 30 ILE HG2% A 29 ARG HBx 1.0 0.349 3.839 991 923 A 29 ARG HBy A 30 ILE HG2% 1.0 0.349 3.839 992 924 A 30 ILE HG2% A 30 ILE HA 1.0 0.337 3.707 993 925 A 56 ILE HA A 56 ILE HG2% 1.0 0.360 3.960 994 926 A 30 ILE HG2% A 82 SER HBx 1.0 0.437 4.807 995 927 A 68 LEU HA A 71 THR HG2% 1.0 0.356 3.916 996 928 A 22 THR HG2% A 22 THR HA 1.0 0.332 3.652 997 929 A 22 THR HG2% A 62 GLY HAx 1.0 0.386 4.246 998 930 A 39 VAL HA A 39 VAL HG1% 1.0 0.309 3.399 999 930 A 39 VAL HG2% A 39 VAL HA 1.0 0.309 3.399 1000 931 A 34 LEU HD2% A 79 PHE HA 1.0 0.338 3.718 1001 932 A 24 VAL HG2% A 24 VAL HA 1.0 0.303 3.333 1002 933 A 34 LEU HD2% A 34 LEU HA 1.0 0.311 3.421 1003 934 A 13 VAL HG2% A 10 CYS HA 1.0 0.357 3.927 1004 935 A 48 VAL HG2% A 48 VAL HA 1.0 0.317 3.487 1005 936 A 63 VAL HA A 63 VAL HG1% 1.0 0.327 3.597 1006 937 A 61 VAL HA A 61 VAL HG1% 1.0 0.331 3.641 1007 938 A 95 THR HG2% A 95 THR HA 1.0 0.331 3.641 1008 939 A 83 LEU HA A 83 LEU HD2% 1.0 0.338 3.718 1009 940 A 24 VAL HG1% A 24 VAL HA 1.0 0.327 3.597 1010 941 A 21 LEU HA A 21 LEU HD2% 1.0 0.317 3.487 1011 942 A 68 LEU HA A 68 LEU HD2% 1.0 0.297 3.267 1012 943 A 49 LEU HD2% A 49 LEU HA 1.0 0.313 3.443 1013 944 A 80 LEU HA A 80 LEU HD2% 1.0 0.334 3.674 1014 945 A 83 LEU HD2% A 86 TYR HBx 1.0 0.409 4.499 1015 945 A 86 TYR HBy A 83 LEU HD2% 1.0 0.409 4.499 1016 946 A 77 VAL HA A 77 VAL HG2% 1.0 0.331 3.641 1017 947 A 31 THR HA A 31 THR HG2% 1.0 0.326 3.586 1018 948 A 14 LEU HA A 14 LEU HD2% 1.0 0.344 3.784 1019 949 A 54 LEU HA A 54 LEU HD2% 1.0 0.356 3.916 1020 950 A 61 VAL HG2% A 27 PRO HDx 1.0 0.332 3.652 1021 951 A 61 VAL HA A 61 VAL HG2% 1.0 0.352 3.872 1022 952 A 63 VAL HA A 63 VAL HG2% 1.0 0.328 3.608 1023 953 A 55 VAL HA A 55 VAL HG1% 1.0 0.357 3.927 1024 954 A 55 VAL HA A 55 VAL HG2% 1.0 0.357 3.927 1025 955 A 68 LEU HA A 67 ILE HG2% 1.0 0.400 4.400 1026 956 A 60 LYS HA A 63 VAL HG2% 1.0 0.385 4.235 1027 957 A 31 THR HG2% A 45 GLU HA 1.0 0.430 4.730 1028 958 A 85 LEU HD1% A 85 LEU HA 1.0 0.400 4.400 1029 959 A 85 LEU HD2% A 85 LEU HA 1.0 0.330 3.630 1030 960 A 49 LEU HD1% A 31 THR HB 1.0 0.385 4.235 1031 961 A 30 ILE HG2% A 83 LEU HD2% 1.0 0.353 3.883 1032 962 A 61 VAL HB A 22 THR HG2% 1.0 0.340 3.740 1033 963 A 71 THR HG2% A 68 LEU HD2% 1.0 0.317 3.487 1034 964 A 22 THR HG2% A 61 VAL HG1% 1.0 0.294 3.234 1035 965 A 48 VAL HG1% A 27 PRO HGx 1.0 0.305 3.355 1036 966 A 49 LEU HBx A 49 LEU HD2% 1.0 0.326 3.586 1037 967 A 49 LEU HBy A 49 LEU HD2% 1.0 0.327 3.597 1038 968 A 78 ALA HB% A 39 VAL HG1% 1.0 0.284 3.124 1039 968 A 78 ALA HB% A 39 VAL HG2% 1.0 0.284 3.124 1040 969 A 34 LEU HBx A 34 LEU HD2% 1.0 0.346 3.806 1041 970 A 78 ALA HB% A 34 LEU HD2% 1.0 0.299 3.289 1042 971 A 21 LEU HD2% A 94 VAL HG1% 1.0 0.299 3.289 1043 972 A 61 VAL HG2% A 27 PRO HGy 1.0 0.323 3.553 1044 973 A 21 LEU HBx A 21 LEU HD2% 1.0 0.318 3.498 1045 974 A 61 VAL HG2% A 25 ILE HG2% 1.0 0.419 4.609 1046 975 A 85 LEU HBx A 85 LEU HD1% 1.0 0.334 3.674 1047 976 A 67 ILE HG2% A 44 ASP HBx 1.0 0.404 4.444 1048 977 A 56 ILE HG2% A 59 ARG HDx 1.0 0.436 4.796 1049 977 A 56 ILE HG2% A 59 ARG HDy 1.0 0.436 4.796 1050 978 A 25 ILE HB A 83 LEU HD2% 1.0 0.411 4.521 1051 979 A 83 LEU HBx A 83 LEU HD2% 1.0 0.371 4.081 1052 980 A 49 LEU HG A 31 THR HG2% 1.0 0.350 3.850 1053 981 A 39 VAL HB A 71 THR HG2% 1.0 0.376 4.136 1054 982 A 54 LEU HD1% A 54 LEU HBy 1.0 0.368 4.048 1055 983 A 21 LEU HD2% A 83 LEU HD1% 1.0 0.433 4.763 1056 984 A 34 LEU HBx A 40 LEU HD2% 1.0 0.375 4.125 1057 985 A 30 ILE HG2% A 33 TYR HBx 1.0 0.474 5.214 1058 986 A 30 ILE HD1% A 30 ILE HA 1.0 0.442 4.862 1059 987 A 21 LEU H A 17 PHE HA 1.0 0.520 5.720 1060 988 A 65 LEU H A 65 LEU HD2% 1.0 0.419 4.609 1061 989 A 76 TYR HD% A 14 LEU HD1% 1.0 0.424 4.664 1062 990 A 15 GLU HA A 15 GLU HGx 1.0 0.367 4.037 1063 990 A 15 GLU HA A 15 GLU HGy 1.0 0.367 4.037 1064 991 A 17 PHE HBy A 94 VAL HG1% 1.0 0.448 4.928 1065 992 A 18 ARG HA A 65 LEU HD2% 1.0 0.519 5.709 1066 993 A 49 LEU H A 48 VAL HG2% 1.0 0.384 4.224 1067 994 A 17 PHE HBy A 20 THR HG2% 1.0 0.434 4.774 1068 995 A 21 LEU HBy A 65 LEU HD2% 1.0 0.486 5.346 1069 996 A 17 PHE HBx A 21 LEU HD1% 1.0 0.423 4.653 1070 997 A 21 LEU HBx A 21 LEU HD1% 1.0 0.348 3.828 1071 998 A 23 SER H A 22 THR HG2% 1.0 0.481 5.291 1072 999 A 25 ILE HB A 22 THR HA 1.0 0.465 5.115 1073 1000 A 25 ILE HG1x A 25 ILE HG2% 1.0 0.354 3.894 1074 1001 A 25 ILE HA A 25 ILE HD1% 1.0 0.443 4.873 1075 1002 A 27 PRO HDy A 26 ASP HBy 1.0 0.513 5.643 1076 1003 A 30 ILE HG1x A 83 LEU HD2% 1.0 0.454 4.994 1077 1004 A 82 SER H A 30 ILE HD1% 1.0 0.496 5.456 1078 1005 A 30 ILE HD1% A 82 SER HG 1.0 0.469 5.159 1079 1006 A 30 ILE HD1% A 82 SER HA 1.0 0.550 6.050 1080 1007 A 31 THR HA A 34 LEU HBx 1.0 0.393 4.323 1081 1008 A 31 THR HG2% A 28 SER HA 1.0 0.354 3.894 1082 1009 A 31 THR HG2% A 32 PRO HDy 1.0 0.458 5.038 1083 1010 A 35 ARG H A 34 LEU HBx 1.0 0.480 5.280 1084 1011 A 42 PRO HA A 45 GLU HBy 1.0 0.437 4.807 1085 1012 A 81 GLU HBy A 82 SER HA 1.0 0.484 5.324 1086 1013 A 31 THR HB A 45 GLU HGy 1.0 0.480 5.280 1087 1014 A 49 LEU HD1% A 45 GLU HGx 1.0 0.391 4.301 1088 1015 A 49 LEU H A 49 LEU HD2% 1.0 0.425 4.675 1089 1016 A 49 LEU HD1% A 46 GLU HA 1.0 0.372 4.092 1090 1017 A 49 LEU HBx A 49 LEU HD1% 1.0 0.346 3.806 1091 1018 A 54 LEU HD1% A 54 LEU HBx 1.0 0.368 4.048 1092 1019 A 57 ARG HA A 57 ARG HDx 1.0 0.469 5.159 1093 1019 A 57 ARG HA A 57 ARG HDy 1.0 0.469 5.159 1094 1020 A 57 ARG HA A 57 ARG HGx 1.0 0.412 4.532 1095 1021 A 59 ARG HA A 59 ARG HDx 1.0 0.418 4.598 1096 1021 A 59 ARG HA A 59 ARG HDy 1.0 0.418 4.598 1097 1022 A 27 PRO HDy A 57 ARG HDx 1.0 0.411 4.521 1098 1022 A 27 PRO HDy A 57 ARG HDy 1.0 0.411 4.521 1099 1023 A 61 VAL HB A 58 LYS HA 1.0 0.490 5.390 1100 1024 A 74 LYS HA A 39 VAL HG1% 1.0 0.395 4.345 1101 1024 A 74 LYS HA A 39 VAL HG2% 1.0 0.395 4.345 1102 1025 A 74 LYS HA A 77 VAL HG2% 1.0 0.425 4.675 1103 1026 A 61 VAL HA A 27 PRO HGy 1.0 0.457 5.027 1104 1027 A 61 VAL HA A 27 PRO HBy 1.0 0.487 5.357 1105 1027 A 61 VAL HA A 27 PRO HBx 1.0 0.487 5.357 1106 1028 A 49 LEU H A 48 VAL HG1% 1.0 0.393 4.323 1107 1029 A 65 LEU HA A 65 LEU HD2% 1.0 0.324 3.564 1108 1030 A 69 GLN H A 67 ILE HG2% 1.0 0.502 5.522 1109 1031 A 71 THR HG1 A 68 LEU HA 1.0 0.550 6.050 1110 1032 A 71 THR HG2% A 75 GLY HAy 1.0 0.513 5.643 1111 1033 A 76 TYR HD% A 77 VAL HA 1.0 0.485 5.335 1112 1034 A 81 GLU H A 78 ALA HB% 1.0 0.532 5.852 1113 1035 A 82 SER H A 78 ALA HB% 1.0 0.550 6.050 1114 1036 A 78 ALA HB% A 34 LEU HA 1.0 0.402 4.422 1115 1037 A 80 LEU HG A 91 TYR HE% 1.0 0.483 5.313 1116 1038 A 91 TYR HD% A 80 LEU HG 1.0 0.550 6.050 1117 1039 A 91 TYR HE% A 80 LEU HD2% 1.0 0.421 4.631 1118 1040 A 87 TYR HD% A 83 LEU HA 1.0 0.403 4.433 1119 1041 A 87 TYR HBx A 83 LEU HBy 1.0 0.461 5.071 1120 1042 A 80 LEU HA A 83 LEU HG 1.0 0.449 4.939 1121 1043 A 25 ILE HD1% A 25 ILE HG2% 1.0 0.299 3.289 1122 1044 A 25 ILE HD1% A 83 LEU HD2% 1.0 0.294 3.234 1123 1045 A 83 LEU HD1% A 79 PHE HE% 1.0 0.451 4.961 1124 1046 A 83 LEU HBx A 83 LEU HD1% 1.0 0.363 3.993 1125 1047 A 91 TYR H A 84 GLU HA 1.0 0.547 6.017 1126 1048 A 91 TYR HE% A 84 GLU HA 1.0 0.550 6.050 1127 1049 A 83 LEU HBx A 84 GLU HA 1.0 0.471 5.181 1128 1050 A 84 GLU H A 84 GLU HGx 1.0 0.478 5.258 1129 1051 A 84 GLU H A 84 GLU HGy 1.0 0.478 5.258 1130 1052 A 91 TYR HD% A 84 GLU HGx 1.0 0.514 5.654 1131 1053 A 91 TYR HD% A 84 GLU HGy 1.0 0.514 5.654 1132 1054 A 85 LEU HBy A 86 TYR HE% 1.0 0.529 5.819 1133 1055 A 33 TYR HE% A 85 LEU HD1% 1.0 0.416 4.576 1134 1056 A 86 TYR HE% A 86 TYR HA 1.0 0.481 5.291 1135 1057 A 90 LEU H A 87 TYR HA 1.0 0.486 5.346 1136 1058 A 92 LYS H A 88 PRO HA 1.0 0.476 5.236 1137 1059 A 90 LEU HBx A 91 TYR HA 1.0 0.426 4.686 1138 1060 A 14 LEU HD2% A 94 VAL HG2% 1.0 0.324 3.564 1139 1061 A 94 VAL H A 95 THR HG2% 1.0 0.460 5.060 1140 1062 A 92 LYS HA A 95 THR HG2% 1.0 0.415 4.565 1141 1063 A 91 TYR HBy A 95 THR HG2% 1.0 0.524 5.764 1142 1064 A 56 ILE HB A 55 VAL HA 1.0 0.550 6.050 1143 1065 A 34 LEU HG A 79 PHE HD% 1.0 0.490 5.390 1144 1066 A 34 LEU HG A 79 PHE HE% 1.0 0.544 5.984 1145 1067 A 61 VAL HB A 22 THR HB 1.0 0.426 4.686 1146 1068 A 67 ILE HA A 67 ILE HG2% 1.0 0.349 3.839 1147 1069 A 24 VAL HG2% A 23 SER HBx 1.0 0.454 4.994 1148 1070 A 61 VAL HB A 22 THR HA 1.0 0.336 3.696 1149 1071 A 27 PRO HA A 25 ILE HG2% 1.0 0.464 5.104 1150 1072 A 18 ARG HA A 22 THR HG2% 1.0 0.427 4.697 1151 1073 A 71 THR HG2% A 39 VAL HA 1.0 0.427 4.697 1152 1074 A 49 LEU HD1% A 45 GLU HA 1.0 0.424 4.664 1153 1075 A 34 LEU HA A 37 CYS HBy 1.0 0.469 5.159 1154 1076 A 93 LYS HA A 92 LYS HA 1.0 0.504 5.544 1155 1077 A 83 LEU HA A 86 TYR HA 1.0 0.517 5.687 1156 1078 A 29 ARG HA A 29 ARG HDx 1.0 0.465 5.115 1157 1079 A 29 ARG HA A 29 ARG HDy 1.0 0.465 5.115 1158 1080 A 38 LYS HA A 38 LYS HDx 1.0 0.411 4.521 1159 1081 A 97 LYS HA A 97 LYS HG2 1.0 0.357 3.927 1160 1081 A 97 LYS HG3 A 97 LYS HA 1.0 0.357 3.927 1161 1082 A 83 LEU HA A 83 LEU HG 1.0 0.373 4.103 1162 1083 A 89 GLN HA A 92 LYS HBx 1.0 0.364 4.004 1163 1083 A 89 GLN HA A 92 LYS HBy 1.0 0.364 4.004 1164 1084 A 73 HIS HA A 76 TYR HBx 1.0 0.444 4.884 1165 1085 A 35 ARG HA A 38 LYS HA 1.0 0.414 4.554 1166 1086 A 49 LEU HA A 50 SER HA 1.0 0.494 5.434 1167 1087 A 44 ASP HA A 67 ILE HG2% 1.0 0.449 4.939 1168 1088 A 40 LEU HA A 39 VAL HA 1.0 0.469 5.159 1169 1089 A 40 LEU HA A 40 LEU HD1% 1.0 0.341 3.751 1170 1090 A 26 ASP HA A 57 ARG HDx 1.0 0.408 4.488 1171 1090 A 26 ASP HA A 57 ARG HDy 1.0 0.408 4.488 1172 1091 A 26 ASP HA A 27 PRO HGy 1.0 0.444 4.884 1173 1092 A 5 GLU HA A 5 GLU HGx 1.0 0.415 4.565 1174 1092 A 5 GLU HGy A 5 GLU HA 1.0 0.415 4.565 1175 1093 A 18 ARG HDy A 18 ARG HBx 1.0 0.415 4.565 1176 1094 A 59 ARG HBy A 59 ARG HDx 1.0 0.332 3.652 1177 1094 A 59 ARG HBx A 59 ARG HDx 1.0 0.332 3.652 1178 1094 A 59 ARG HDy A 59 ARG HBx 1.0 0.332 3.652 1179 1094 A 59 ARG HBy A 59 ARG HDy 1.0 0.332 3.652 1180 1095 A 18 ARG HBy A 18 ARG HDx 1.0 0.415 4.565 1181 1096 A 18 ARG HBy A 18 ARG HDy 1.0 0.415 4.565 1182 1097 A 74 LYS HGy A 74 LYS HEx 1.0 0.410 4.510 1183 1097 A 74 LYS HEy A 74 LYS HGy 1.0 0.410 4.510 1184 1098 A 79 PHE HBx A 68 LEU HD1% 1.0 0.499 5.489 1185 1099 A 87 TYR HBx A 90 LEU HBy 1.0 0.423 4.653 1186 1100 A 34 LEU HBx A 39 VAL HG1% 1.0 0.430 4.730 1187 1100 A 34 LEU HBx A 39 VAL HG2% 1.0 0.430 4.730 1188 1101 A 65 LEU HBx A 65 LEU HD1% 1.0 0.392 4.312 1189 1102 A 90 LEU HBx A 94 VAL HG2% 1.0 0.427 4.697 1190 1103 A 25 ILE HB A 61 VAL HG2% 1.0 0.509 5.599 1191 1104 A 49 LEU HD1% A 45 GLU HGy 1.0 0.391 4.301 1192 1105 A 33 TYR HE% A 81 GLU HBx 1.0 0.419 4.609 1193 1106 A 27 PRO HGx A 28 SER HBx 1.0 0.442 4.862 1194 1106 A 28 SER HBy A 27 PRO HGx 1.0 0.442 4.862 1195 1107 A 57 ARG HDy A 57 ARG HBx 1.0 0.411 4.521 1196 1107 A 57 ARG HBx A 57 ARG HDx 1.0 0.411 4.521 1197 1108 A 57 ARG HDy A 57 ARG HBy 1.0 0.411 4.521 1198 1108 A 57 ARG HBy A 57 ARG HDx 1.0 0.411 4.521 1199 1109 A 61 VAL HG2% A 27 PRO HGx 1.0 0.421 4.631 1200 1110 A 25 ILE HG1x A 83 LEU HD2% 1.0 0.473 5.203 1201 1111 A 29 ARG HGx A 30 ILE HG2% 1.0 0.359 3.949 1202 1112 A 34 LEU HA A 39 VAL HG1% 1.0 0.312 3.432 1203 1112 A 39 VAL HG2% A 34 LEU HA 1.0 0.312 3.432 1204 1113 A 19 VAL HA A 19 VAL HG1% 1.0 0.341 3.751 1205 1114 A 20 THR HA A 20 THR HG2% 1.0 0.327 3.597 1206 1115 A 20 THR HG2% A 90 LEU HG 1.0 0.345 3.795 1207 1116 A 20 THR HG2% A 90 LEU HD1% 1.0 0.314 3.454 1208 1117 A 20 THR HG2% A 90 LEU HD2% 1.0 0.353 3.883 1209 1118 A 48 VAL HG1% A 27 PRO HGy 1.0 0.341 3.751 1210 1119 A 80 LEU HBx A 77 VAL HG2% 1.0 0.457 5.027 1211 1120 A 67 ILE HB A 64 LEU HD1% 1.0 0.344 3.784 1212 1121 A 68 LEU HG A 64 LEU HD1% 1.0 0.361 3.971 1213 1122 A 25 ILE HB A 21 LEU HD2% 1.0 0.400 4.400 1214 1123 A 94 VAL HB A 21 LEU HD2% 1.0 0.432 4.752 1215 1124 A 68 LEU HBx A 68 LEU HD2% 1.0 0.324 3.564 1216 1125 A 61 VAL HG1% A 22 THR HA 1.0 0.316 3.476 1217 1126 A 48 VAL HG1% A 48 VAL HA 1.0 0.363 3.993 1218 1127 A 61 VAL HG1% A 22 THR HB 1.0 0.443 4.873 1219 1128 A 20 THR HB A 21 LEU HG 1.0 0.463 5.093 1220 1129 A 20 THR HB A 17 PHE HBx 1.0 0.493 5.423 1221 1130 A 31 THR HA A 34 LEU HG 1.0 0.472 5.192 1222 1131 A 17 PHE HD% A 20 THR HB 1.0 0.489 5.379 1223 1132 A 91 TYR HE% A 91 TYR HA 1.0 0.550 6.050 1224 1133 A 76 TYR HD% A 73 HIS HA 1.0 0.540 5.940 1225 1134 A 76 TYR HD% A 11 TRP HA 1.0 0.459 5.049 1226 1135 A 11 TRP HA A 76 TYR HE% 1.0 0.469 5.159 1227 1136 A 33 TYR HE% A 78 ALA HA 1.0 0.435 4.785 1228 1137 A 91 TYR HD% A 83 LEU HBy 1.0 0.466 5.126 1229 1138 A 80 LEU HBy A 91 TYR HE% 1.0 0.447 4.917 1230 1139 A 80 LEU HBx A 91 TYR HE% 1.0 0.501 5.511 1231 1140 A 86 TYR HE% A 33 TYR HBx 1.0 0.462 5.082 1232 1141 A 79 PHE HBy A 11 TRP HH2 1.0 0.487 5.357 1233 1142 A 33 TYR HE% A 81 GLU HBy 1.0 0.448 4.928 1234 1143 A 34 LEU HD1% A 79 PHE HE% 1.0 0.453 4.983 1235 1144 A 14 LEU HD1% A 79 PHE HE% 1.0 0.457 5.027 1236 1145 A 91 TYR HD% A 80 LEU HD1% 1.0 0.550 6.050 1237 1146 A 87 TYR HD% A 90 LEU HD2% 1.0 0.413 4.543 1238 1147 A 11 TRP HZ2 A 68 LEU HD2% 1.0 0.409 4.499 1239 1148 A 25 ILE HG2% A 79 PHE HE% 1.0 0.450 4.950 1240 1149 A 87 TYR HD% A 25 ILE HG2% 1.0 0.513 5.643 1241 1150 A 67 ILE HA A 67 ILE HD1% 1.0 0.405 4.455 1242 1151 A 25 ILE HG2% A 27 PRO HDx 1.0 0.426 4.686 1243 1152 A 30 ILE HG2% A 82 SER HA 1.0 0.396 4.356 1244 1153 A 17 PHE HD% A 94 VAL HG1% 1.0 0.414 4.554 1245 1154 A 17 PHE HD% A 94 VAL HG2% 1.0 0.452 4.972 1246 1155 A 17 PHE HD% A 13 VAL HG1% 1.0 0.422 4.642 1247 1156 A 71 THR HB A 70 ARG HBy 1.0 0.470 5.170 1248 1157 A 20 THR HA A 19 VAL HB 1.0 0.550 6.050 1249 1158 A 20 THR HA A 21 LEU HG 1.0 0.550 6.050 1250 1159 A 94 VAL HB A 91 TYR HA 1.0 0.498 5.478 1251 1160 A 11 TRP HA A 14 LEU HBy 1.0 0.419 4.609 1252 1161 A 87 TYR HA A 88 PRO HG2 1.0 0.427 4.697 1253 1161 A 88 PRO HG3 A 87 TYR HA 1.0 0.427 4.697 1254 1162 A 11 TRP HA A 14 LEU HD1% 1.0 0.420 4.620 1255 1163 A 51 ASP HA A 52 PRO HGy 1.0 0.433 4.763 1256 1164 A 48 VAL HG1% A 27 PRO HDy 1.0 0.489 5.379 1257 1165 A 61 VAL HG1% A 27 PRO HDy 1.0 0.550 6.050 1258 1166 A 78 ALA HB% A 75 GLY HAx 1.0 0.453 4.983 1259 1167 A 90 LEU HBy A 87 TYR HA 1.0 0.489 5.379 1260 1168 A 84 GLU HA A 88 PRO HBy 1.0 0.468 5.148 1261 1169 A 39 VAL HG2% A 74 LYS HEx 1.0 0.406 4.466 1262 1169 A 39 VAL HG1% A 74 LYS HEx 1.0 0.406 4.466 1263 1169 A 74 LYS HEy A 39 VAL HG1% 1.0 0.406 4.466 1264 1169 A 39 VAL HG2% A 74 LYS HEy 1.0 0.406 4.466 1265 1170 A 52 PRO HDy A 51 ASP HBx 1.0 0.550 6.050 1266 1171 A 52 PRO HDy A 51 ASP HBy 1.0 0.550 6.050 1267 1172 A 51 ASP HBy A 52 PRO HDx 1.0 0.550 6.050 1268 1173 A 65 LEU HA A 68 LEU HBy 1.0 0.472 5.192 1269 1174 A 49 LEU HBx A 46 GLU HA 1.0 0.476 5.236 1270 1175 A 49 LEU HBy A 50 SER HBy 1.0 0.550 6.050 1271 1176 A 49 LEU HBy A 50 SER HBx 1.0 0.550 6.050 1272 1177 A 80 LEU HBx A 77 VAL HG1% 1.0 0.471 5.181 1273 1178 A 17 PHE HBx A 94 VAL HG2% 1.0 0.539 5.929 1274 1179 A 29 ARG HGx A 86 TYR HBx 1.0 0.476 5.236 1275 1179 A 86 TYR HBy A 29 ARG HGx 1.0 0.476 5.236 1276 1180 A 25 ILE HG1y A 86 TYR HBx 1.0 0.550 6.050 1277 1180 A 86 TYR HBy A 25 ILE HG1y 1.0 0.550 6.050 1278 1181 A 85 LEU HBy A 86 TYR HBx 1.0 0.550 6.050 1279 1181 A 86 TYR HBy A 85 LEU HBy 1.0 0.550 6.050 1280 1182 A 85 LEU HD1% A 86 TYR HBx 1.0 0.550 6.050 1281 1182 A 86 TYR HBy A 85 LEU HD1% 1.0 0.550 6.050 1282 1183 A 79 PHE HBy A 83 LEU HD1% 1.0 0.508 5.588 1283 1184 A 86 TYR HD% A 85 LEU HBy 1.0 0.524 5.764 1284 1185 A 86 TYR HD% A 85 LEU HBx 1.0 0.531 5.841 1285 1186 A 91 TYR HBx A 83 LEU HD2% 1.0 0.517 5.687 1286 1187 A 91 TYR HBx A 94 VAL HG2% 1.0 0.483 5.313 1287 1188 A 91 TYR HBy A 83 LEU HBx 1.0 0.520 5.720 1288 1189 A 91 TYR HBy A 88 PRO HBy 1.0 0.550 6.050 1289 1190 A 91 TYR HBy A 90 LEU HBx 1.0 0.550 6.050 1290 1191 A 30 ILE HB A 33 TYR HA 1.0 0.516 5.676 1291 1192 A 48 VAL HG2% A 47 GLN HGy 1.0 0.448 4.928 1292 1193 A 48 VAL HG2% A 47 GLN HBx 1.0 0.386 4.246 1293 1193 A 47 GLN HBy A 48 VAL HG2% 1.0 0.386 4.246 1294 1194 A 21 LEU HD1% A 65 LEU HD2% 1.0 0.422 4.642 1295 1195 A 21 LEU HD1% A 94 VAL HG1% 1.0 0.461 5.071 1296 1196 A 21 LEU HBy A 65 LEU HD1% 1.0 0.428 4.708 1297 1197 A 33 TYR HA A 32 PRO HGx 1.0 0.428 4.708 1298 1198 A 18 ARG HA A 18 ARG HGx 1.0 0.414 4.554 1299 1199 A 40 LEU HA A 40 LEU HD2% 1.0 0.402 4.422 1300 1200 A 49 LEU HD1% A 49 LEU HA 1.0 0.442 4.862 1301 1201 A 14 LEU HD1% A 94 VAL HG2% 1.0 0.354 3.894 1302 1202 A 14 LEU HA A 14 LEU HD1% 1.0 0.443 4.873 1303 1203 A 61 VAL HA A 64 LEU HD2% 1.0 0.428 4.708 1304 1204 A 40 LEU HD2% A 44 ASP HBy 1.0 0.438 4.818 1305 1205 A 40 LEU HD2% A 44 ASP HBx 1.0 0.438 4.818 1306 1206 A 25 ILE HB A 83 LEU HD1% 1.0 0.422 4.642 1307 1207 A 54 LEU HD1% A 51 ASP HBx 1.0 0.453 4.983 1308 1208 A 61 VAL HG2% A 58 LYS HA 1.0 0.408 4.488 1309 1209 A 87 TYR HBx A 90 LEU HD2% 1.0 0.393 4.323 1310 1210 A 21 LEU HA A 90 LEU HD2% 1.0 0.376 4.136 1311 1211 A 90 LEU HA A 90 LEU HD1% 1.0 0.332 3.652 1312 1212 A 87 TYR HBy A 90 LEU HD2% 1.0 0.400 4.400 1313 1213 A 22 THR HG2% A 62 GLY HAy 1.0 0.386 4.246 1314 1214 A 56 ILE HA A 56 ILE HD1% 1.0 0.424 4.664 1315 1215 A 94 VAL HB A 95 THR HG2% 1.0 0.404 4.444 1316 1216 A 14 LEU HA A 13 VAL HG1% 1.0 0.455 5.005 1317 1217 A 14 LEU HA A 94 VAL HG1% 1.0 0.499 5.489 1318 1218 A 14 LEU HA A 94 VAL HG2% 1.0 0.527 5.797 1319 1219 A 14 LEU HA A 17 PHE HBy 1.0 0.550 6.050 1320 1220 A 17 PHE HD% A 14 LEU HD1% 1.0 0.534 5.874 1321 1221 A 18 ARG HA A 17 PHE HA 1.0 0.550 6.050 1322 1222 A 21 LEU HG A 17 PHE HA 1.0 0.491 5.401 1323 1223 A 20 THR HG2% A 17 PHE HA 1.0 0.548 6.028 1324 1224 A 20 THR HB A 17 PHE HBy 1.0 0.454 4.994 1325 1225 A 22 THR HG2% A 19 VAL HA 1.0 0.463 5.093 1326 1226 A 20 THR HB A 94 VAL HG1% 1.0 0.522 5.742 1327 1227 A 20 THR HB A 90 LEU HD1% 1.0 0.529 5.819 1328 1228 A 20 THR HB A 90 LEU HD2% 1.0 0.550 6.050 1329 1229 A 21 LEU HBx A 65 LEU HD2% 1.0 0.550 6.050 1330 1230 A 21 LEU HBx A 83 LEU HD1% 1.0 0.550 6.050 1331 1231 A 21 LEU HD2% A 94 VAL HG2% 1.0 0.346 3.806 1332 1232 A 15 GLU HA A 21 LEU HD1% 1.0 0.504 5.544 1333 1233 A 87 TYR HD% A 24 VAL HG1% 1.0 0.414 4.554 1334 1234 A 61 VAL HB A 26 ASP HA 1.0 0.539 5.929 1335 1235 A 27 PRO HDy A 26 ASP HBx 1.0 0.513 5.643 1336 1236 A 30 ILE HA A 29 ARG HBx 1.0 0.493 5.423 1337 1236 A 29 ARG HBy A 30 ILE HA 1.0 0.493 5.423 1338 1237 A 30 ILE HG1x A 27 PRO HBy 1.0 0.510 5.610 1339 1237 A 27 PRO HBx A 30 ILE HG1x 1.0 0.510 5.610 1340 1238 A 30 ILE HG1x A 25 ILE HG2% 1.0 0.480 5.280 1341 1239 A 30 ILE HG2% A 82 SER HBy 1.0 0.437 4.807 1342 1240 A 30 ILE HG2% A 25 ILE HG1y 1.0 0.550 6.050 1343 1241 A 30 ILE HG2% A 85 LEU HD1% 1.0 0.550 6.050 1344 1242 A 30 ILE HG2% A 33 TYR HBy 1.0 0.474 5.214 1345 1243 A 33 TYR HD% A 34 LEU HA 1.0 0.492 5.412 1346 1244 A 39 VAL HG2% A 37 CYS HBy 1.0 0.398 4.378 1347 1244 A 37 CYS HBy A 39 VAL HG1% 1.0 0.398 4.378 1348 1245 A 40 LEU HG A 41 ASN HA 1.0 0.526 5.786 1349 1246 A 42 PRO HA A 45 GLU HBx 1.0 0.437 4.807 1350 1247 A 31 THR HB A 45 GLU HGx 1.0 0.480 5.280 1351 1248 A 51 ASP HA A 52 PRO HBx 1.0 0.550 6.050 1352 1249 A 52 PRO HBy A 53 ASN HA 1.0 0.501 5.511 1353 1250 A 52 PRO HGy A 53 ASN HA 1.0 0.550 6.050 1354 1251 A 54 LEU HD2% A 53 ASN HA 1.0 0.550 6.050 1355 1252 A 54 LEU HD2% A 54 LEU HBx 1.0 0.374 4.114 1356 1253 A 56 ILE HD1% A 59 ARG HDx 1.0 0.494 5.434 1357 1253 A 56 ILE HD1% A 59 ARG HDy 1.0 0.494 5.434 1358 1254 A 61 VAL HA A 27 PRO HGx 1.0 0.517 5.687 1359 1255 A 61 VAL HG2% A 26 ASP HA 1.0 0.447 4.917 1360 1256 A 61 VAL HA A 64 LEU HG 1.0 0.511 5.621 1361 1257 A 65 LEU HD1% A 62 GLY HAx 1.0 0.429 4.719 1362 1258 A 71 THR HB A 70 ARG HBx 1.0 0.470 5.170 1363 1259 A 76 TYR HD% A 77 VAL HG2% 1.0 0.408 4.488 1364 1260 A 79 PHE HBy A 76 TYR HA 1.0 0.435 4.785 1365 1261 A 33 TYR HE% A 78 ALA HB% 1.0 0.465 5.115 1366 1262 A 78 ALA HB% A 79 PHE HA 1.0 0.466 5.126 1367 1263 A 83 LEU HD2% A 79 PHE HA 1.0 0.500 5.500 1368 1264 A 91 TYR HD% A 80 LEU HA 1.0 0.483 5.313 1369 1265 A 80 LEU HA A 91 TYR HE% 1.0 0.485 5.335 1370 1266 A 30 ILE HB A 82 SER HA 1.0 0.531 5.841 1371 1267 A 91 TYR HD% A 84 GLU HBy 1.0 0.510 5.610 1372 1268 A 85 LEU HBx A 86 TYR HE% 1.0 0.529 5.819 1373 1269 A 29 ARG HBx A 86 TYR HBx 1.0 0.491 5.401 1374 1269 A 29 ARG HBy A 86 TYR HBx 1.0 0.491 5.401 1375 1269 A 86 TYR HBy A 29 ARG HBx 1.0 0.491 5.401 1376 1269 A 86 TYR HBy A 29 ARG HBy 1.0 0.491 5.401 1377 1270 A 87 TYR HE% A 87 TYR HA 1.0 0.501 5.511 1378 1271 A 83 LEU HA A 87 TYR HA 1.0 0.537 5.907 1379 1272 A 83 LEU HD2% A 87 TYR HA 1.0 0.533 5.863 1380 1273 A 90 LEU HD2% A 87 TYR HA 1.0 0.547 6.017 1381 1274 A 91 TYR HD% A 88 PRO HA 1.0 0.489 5.379 1382 1275 A 87 TYR HD% A 90 LEU HBy 1.0 0.497 5.467 1383 1276 A 87 TYR HD% A 90 LEU HBx 1.0 0.493 5.423 1384 1277 A 25 ILE HA A 90 LEU HD2% 1.0 0.437 4.807 1385 1278 A 83 LEU HBy A 91 TYR HA 1.0 0.451 4.961 1386 1279 A 92 LYS HA A 92 LYS HGy 1.0 0.383 4.213 1387 1280 A 21 LEU HD2% A 94 VAL HA 1.0 0.550 6.050 1388 1281 A 17 PHE HD% A 94 VAL HB 1.0 0.549 6.039 1389 1282 A 94 VAL HG1% A 91 TYR HA 1.0 0.489 5.379 1390 1283 A 61 VAL HA A 22 THR HA 1.0 0.546 6.006 1391 1284 A 64 LEU HA A 61 VAL HA 1.0 0.550 6.050 1392 1285 A 33 TYR HD% A 34 LEU HG 1.0 0.526 5.786 1393 1286 A 34 LEU HG A 30 ILE HD1% 1.0 0.405 4.455 1394 1287 A 5 GLU H A 5 GLU HBx 1.0 0.360 3.960 1395 1287 A 5 GLU H A 5 GLU HBy 1.0 0.360 3.960 1396 1288 A 7 ASP HBy A 72 GLY HAy 1.0 0.405 4.455 1397 1288 A 7 ASP HBx A 72 GLY HAy 1.0 0.405 4.455 1398 1288 A 72 GLY HAx A 7 ASP HBx 1.0 0.405 4.455 1399 1288 A 7 ASP HBy A 72 GLY HAx 1.0 0.405 4.455 1400 1289 A 8 ASP H A 8 ASP HBx 1.0 0.325 3.575 1401 1289 A 8 ASP H A 8 ASP HBy 1.0 0.325 3.575 1402 1290 A 9 GLU H A 9 GLU HBy 1.0 0.335 3.685 1403 1290 A 9 GLU H A 9 GLU HBx 1.0 0.335 3.685 1404 1291 A 9 GLU H A 9 GLU HGy 1.0 0.439 4.829 1405 1291 A 9 GLU H A 9 GLU HGx 1.0 0.439 4.829 1406 1292 A 10 CYS H A 9 GLU HBy 1.0 0.383 4.213 1407 1292 A 10 CYS H A 9 GLU HBx 1.0 0.383 4.213 1408 1293 A 11 TRP H A 11 TRP HBx 1.0 0.328 3.608 1409 1293 A 11 TRP H A 11 TRP HBy 1.0 0.328 3.608 1410 1294 A 12 SER H A 11 TRP HBx 1.0 0.439 4.829 1411 1294 A 12 SER H A 11 TRP HBy 1.0 0.439 4.829 1412 1295 A 11 TRP HD1 A 72 GLY HAy 1.0 0.505 5.555 1413 1295 A 11 TRP HD1 A 72 GLY HAx 1.0 0.505 5.555 1414 1296 A 11 TRP HE1 A 72 GLY HAy 1.0 0.423 4.653 1415 1296 A 11 TRP HE1 A 72 GLY HAx 1.0 0.423 4.653 1416 1297 A 11 TRP HE1 A 76 TYR HBy 1.0 0.382 4.202 1417 1297 A 11 TRP HE1 A 76 TYR HBx 1.0 0.382 4.202 1418 1298 A 11 TRP HZ2 A 75 GLY HAx 1.0 0.398 4.378 1419 1298 A 11 TRP HZ2 A 75 GLY HAy 1.0 0.398 4.378 1420 1299 A 12 SER H A 15 GLU HBy 1.0 0.478 5.258 1421 1299 A 12 SER H A 15 GLU HBx 1.0 0.478 5.258 1422 1300 A 12 SER HA A 15 GLU HBy 1.0 0.413 4.543 1423 1300 A 12 SER HA A 15 GLU HBx 1.0 0.413 4.543 1424 1301 A 12 SER HBx A 15 GLU HBy 1.0 0.472 5.192 1425 1301 A 12 SER HBy A 15 GLU HBy 1.0 0.472 5.192 1426 1301 A 15 GLU HBx A 12 SER HBx 1.0 0.472 5.192 1427 1301 A 12 SER HBy A 15 GLU HBx 1.0 0.472 5.192 1428 1302 A 15 GLU H A 15 GLU HBy 1.0 0.306 3.366 1429 1302 A 15 GLU H A 15 GLU HBx 1.0 0.306 3.366 1430 1303 A 15 GLU HA A 18 ARG HBx 1.0 0.319 3.509 1431 1303 A 15 GLU HA A 18 ARG HBy 1.0 0.319 3.509 1432 1304 A 17 PHE HA A 16 GLY HAy 1.0 0.533 5.863 1433 1304 A 17 PHE HA A 16 GLY HAx 1.0 0.533 5.863 1434 1305 A 18 ARG H A 16 GLY HAy 1.0 0.465 5.115 1435 1305 A 18 ARG H A 16 GLY HAx 1.0 0.465 5.115 1436 1306 A 17 PHE H A 18 ARG HBx 1.0 0.478 5.258 1437 1306 A 17 PHE H A 18 ARG HBy 1.0 0.478 5.258 1438 1307 A 18 ARG H A 18 ARG HBx 1.0 0.307 3.377 1439 1307 A 18 ARG H A 18 ARG HBy 1.0 0.307 3.377 1440 1308 A 18 ARG H A 18 ARG HGx 1.0 0.452 4.972 1441 1308 A 18 ARG H A 18 ARG HGy 1.0 0.452 4.972 1442 1309 A 18 ARG H A 18 ARG HDx 1.0 0.468 5.148 1443 1309 A 18 ARG H A 18 ARG HDy 1.0 0.468 5.148 1444 1310 A 18 ARG HA A 18 ARG HDx 1.0 0.451 4.961 1445 1310 A 18 ARG HA A 18 ARG HDy 1.0 0.451 4.961 1446 1311 A 18 ARG HBy A 18 ARG HDx 1.0 0.319 3.509 1447 1311 A 18 ARG HDy A 18 ARG HBx 1.0 0.319 3.509 1448 1311 A 18 ARG HBy A 18 ARG HDy 1.0 0.319 3.509 1449 1311 A 18 ARG HBx A 18 ARG HDx 1.0 0.319 3.509 1450 1312 A 19 VAL HA A 18 ARG HGx 1.0 0.532 5.852 1451 1312 A 19 VAL HA A 18 ARG HGy 1.0 0.532 5.852 1452 1313 A 19 VAL H A 19 VAL HG2% 1.0 0.422 4.642 1453 1313 A 19 VAL H A 19 VAL HG1% 1.0 0.422 4.642 1454 1314 A 20 THR H A 19 VAL HG2% 1.0 0.390 4.290 1455 1314 A 20 THR H A 19 VAL HG1% 1.0 0.390 4.290 1456 1315 A 20 THR HA A 19 VAL HG2% 1.0 0.374 4.114 1457 1315 A 20 THR HA A 19 VAL HG1% 1.0 0.374 4.114 1458 1316 A 23 SER H A 23 SER HBy 1.0 0.326 3.586 1459 1316 A 23 SER H A 23 SER HBx 1.0 0.326 3.586 1460 1317 A 24 VAL H A 23 SER HBy 1.0 0.354 3.894 1461 1317 A 24 VAL H A 23 SER HBx 1.0 0.354 3.894 1462 1318 A 24 VAL HG2% A 23 SER HBy 1.0 0.373 4.103 1463 1318 A 24 VAL HG2% A 23 SER HBx 1.0 0.373 4.103 1464 1319 A 26 ASP H A 26 ASP HBy 1.0 0.360 3.960 1465 1319 A 26 ASP H A 26 ASP HBx 1.0 0.360 3.960 1466 1320 A 27 PRO HGy A 26 ASP HBy 1.0 0.525 5.775 1467 1320 A 27 PRO HGy A 26 ASP HBx 1.0 0.525 5.775 1468 1321 A 27 PRO HDy A 26 ASP HBy 1.0 0.445 4.895 1469 1321 A 27 PRO HDy A 26 ASP HBx 1.0 0.445 4.895 1470 1322 A 27 PRO HDx A 26 ASP HBy 1.0 0.483 5.313 1471 1322 A 27 PRO HDx A 26 ASP HBx 1.0 0.483 5.313 1472 1323 A 29 ARG H A 26 ASP HBy 1.0 0.414 4.554 1473 1323 A 29 ARG H A 26 ASP HBx 1.0 0.414 4.554 1474 1324 A 26 ASP HBy A 29 ARG HBx 1.0 0.446 4.906 1475 1324 A 26 ASP HBx A 29 ARG HBx 1.0 0.446 4.906 1476 1324 A 29 ARG HBy A 26 ASP HBy 1.0 0.446 4.906 1477 1324 A 29 ARG HBy A 26 ASP HBx 1.0 0.446 4.906 1478 1325 A 29 ARG HGy A 26 ASP HBy 1.0 0.534 5.874 1479 1325 A 29 ARG HGy A 26 ASP HBx 1.0 0.534 5.874 1480 1326 A 29 ARG HA A 29 ARG HDx 1.0 0.397 4.367 1481 1326 A 29 ARG HA A 29 ARG HDy 1.0 0.397 4.367 1482 1327 A 30 ILE HA A 33 TYR HBy 1.0 0.445 4.895 1483 1327 A 30 ILE HA A 33 TYR HBx 1.0 0.445 4.895 1484 1328 A 30 ILE HB A 33 TYR HBy 1.0 0.407 4.477 1485 1328 A 30 ILE HB A 33 TYR HBx 1.0 0.407 4.477 1486 1329 A 30 ILE HB A 82 SER HBy 1.0 0.424 4.664 1487 1329 A 30 ILE HB A 82 SER HBx 1.0 0.424 4.664 1488 1330 A 30 ILE HG2% A 33 TYR HBy 1.0 0.407 4.477 1489 1330 A 30 ILE HG2% A 33 TYR HBx 1.0 0.407 4.477 1490 1331 A 30 ILE HG2% A 82 SER HBy 1.0 0.349 3.839 1491 1331 A 30 ILE HG2% A 82 SER HBx 1.0 0.349 3.839 1492 1332 A 30 ILE HD1% A 33 TYR HBy 1.0 0.487 5.357 1493 1332 A 30 ILE HD1% A 33 TYR HBx 1.0 0.487 5.357 1494 1333 A 30 ILE HD1% A 82 SER HBy 1.0 0.433 4.763 1495 1333 A 30 ILE HD1% A 82 SER HBx 1.0 0.433 4.763 1496 1334 A 31 THR HG2% A 45 GLU HGy 1.0 0.317 3.487 1497 1334 A 31 THR HG2% A 45 GLU HGx 1.0 0.317 3.487 1498 1335 A 33 TYR H A 32 PRO HBx 1.0 0.346 3.806 1499 1335 A 33 TYR H A 32 PRO HBy 1.0 0.346 3.806 1500 1336 A 33 TYR HA A 36 GLN HBy 1.0 0.330 3.630 1501 1336 A 33 TYR HA A 36 GLN HBx 1.0 0.330 3.630 1502 1337 A 33 TYR HBy A 82 SER HBy 1.0 0.435 4.785 1503 1337 A 33 TYR HBx A 82 SER HBy 1.0 0.435 4.785 1504 1337 A 82 SER HBx A 33 TYR HBy 1.0 0.435 4.785 1505 1337 A 33 TYR HBx A 82 SER HBx 1.0 0.435 4.785 1506 1338 A 33 TYR HD% A 82 SER HBy 1.0 0.379 4.169 1507 1338 A 33 TYR HD% A 82 SER HBx 1.0 0.379 4.169 1508 1339 A 33 TYR HE% A 82 SER HBy 1.0 0.431 4.741 1509 1339 A 33 TYR HE% A 82 SER HBx 1.0 0.431 4.741 1510 1340 A 34 LEU H A 35 ARG HGy 1.0 0.490 5.390 1511 1340 A 34 LEU H A 35 ARG HGx 1.0 0.490 5.390 1512 1341 A 34 LEU HA A 37 CYS HBx 1.0 0.394 4.334 1513 1341 A 34 LEU HA A 37 CYS HBy 1.0 0.394 4.334 1514 1342 A 34 LEU HBx A 40 LEU HBy 1.0 0.468 5.148 1515 1342 A 34 LEU HBx A 40 LEU HBx 1.0 0.468 5.148 1516 1343 A 34 LEU HBy A 40 LEU HBy 1.0 0.414 4.554 1517 1343 A 34 LEU HBy A 40 LEU HBx 1.0 0.414 4.554 1518 1344 A 35 ARG H A 35 ARG HBx 1.0 0.303 3.333 1519 1344 A 35 ARG H A 35 ARG HBy 1.0 0.303 3.333 1520 1345 A 35 ARG H A 40 LEU HBy 1.0 0.526 5.786 1521 1345 A 35 ARG H A 40 LEU HBx 1.0 0.526 5.786 1522 1346 A 35 ARG HA A 35 ARG HGy 1.0 0.351 3.861 1523 1346 A 35 ARG HA A 35 ARG HGx 1.0 0.351 3.861 1524 1347 A 35 ARG HA A 35 ARG HDx 1.0 0.397 4.367 1525 1347 A 35 ARG HA A 35 ARG HDy 1.0 0.397 4.367 1526 1348 A 35 ARG HA A 40 LEU HBy 1.0 0.404 4.444 1527 1348 A 35 ARG HA A 40 LEU HBx 1.0 0.404 4.444 1528 1349 A 35 ARG HBx A 35 ARG HDx 1.0 0.331 3.641 1529 1349 A 35 ARG HBy A 35 ARG HDx 1.0 0.331 3.641 1530 1349 A 35 ARG HDy A 35 ARG HBx 1.0 0.331 3.641 1531 1349 A 35 ARG HBy A 35 ARG HDy 1.0 0.331 3.641 1532 1350 A 36 GLN HA A 35 ARG HBx 1.0 0.490 5.390 1533 1350 A 35 ARG HBy A 36 GLN HA 1.0 0.490 5.390 1534 1351 A 36 GLN H A 35 ARG HGy 1.0 0.496 5.456 1535 1351 A 36 GLN H A 35 ARG HGx 1.0 0.496 5.456 1536 1352 A 36 GLN H A 36 GLN HBy 1.0 0.303 3.333 1537 1352 A 36 GLN H A 36 GLN HBx 1.0 0.303 3.333 1538 1353 A 36 GLN H A 36 GLN HGy 1.0 0.463 5.093 1539 1353 A 36 GLN H A 36 GLN HGx 1.0 0.463 5.093 1540 1354 A 37 CYS H A 36 GLN HBy 1.0 0.334 3.674 1541 1354 A 37 CYS H A 36 GLN HBx 1.0 0.334 3.674 1542 1355 A 37 CYS H A 36 GLN HGy 1.0 0.476 5.236 1543 1355 A 37 CYS H A 36 GLN HGx 1.0 0.476 5.236 1544 1356 A 37 CYS H A 37 CYS HBx 1.0 0.313 3.443 1545 1356 A 37 CYS H A 37 CYS HBy 1.0 0.313 3.443 1546 1357 A 37 CYS HA A 38 LYS HGx 1.0 0.457 5.027 1547 1357 A 37 CYS HA A 38 LYS HGy 1.0 0.457 5.027 1548 1358 A 38 LYS H A 37 CYS HBx 1.0 0.416 4.576 1549 1358 A 38 LYS H A 37 CYS HBy 1.0 0.416 4.576 1550 1359 A 39 VAL H A 37 CYS HBx 1.0 0.409 4.499 1551 1359 A 39 VAL H A 37 CYS HBy 1.0 0.409 4.499 1552 1360 A 37 CYS HBx A 39 VAL HG1% 1.0 0.329 3.619 1553 1360 A 37 CYS HBy A 39 VAL HG1% 1.0 0.329 3.619 1554 1360 A 39 VAL HG2% A 37 CYS HBx 1.0 0.329 3.619 1555 1360 A 39 VAL HG2% A 37 CYS HBy 1.0 0.329 3.619 1556 1361 A 38 LYS H A 38 LYS HBy 1.0 0.359 3.949 1557 1361 A 38 LYS H A 38 LYS HBx 1.0 0.359 3.949 1558 1362 A 38 LYS H A 38 LYS HGx 1.0 0.359 3.949 1559 1362 A 38 LYS H A 38 LYS HGy 1.0 0.359 3.949 1560 1363 A 38 LYS H A 38 LYS HDy 1.0 0.448 4.928 1561 1363 A 38 LYS H A 38 LYS HDx 1.0 0.448 4.928 1562 1364 A 38 LYS HA A 38 LYS HGx 1.0 0.343 3.773 1563 1364 A 38 LYS HA A 38 LYS HGy 1.0 0.343 3.773 1564 1365 A 38 LYS HA A 38 LYS HDy 1.0 0.357 3.927 1565 1365 A 38 LYS HA A 38 LYS HDx 1.0 0.357 3.927 1566 1366 A 38 LYS HBy A 38 LYS HDy 1.0 0.311 3.421 1567 1366 A 38 LYS HDx A 38 LYS HBy 1.0 0.311 3.421 1568 1366 A 38 LYS HBx A 38 LYS HDx 1.0 0.311 3.421 1569 1366 A 38 LYS HBx A 38 LYS HDy 1.0 0.311 3.421 1570 1367 A 38 LYS HBx A 38 LYS HE2 1.0 0.442 4.862 1571 1367 A 38 LYS HBy A 38 LYS HE2 1.0 0.442 4.862 1572 1367 A 38 LYS HE3 A 38 LYS HBy 1.0 0.442 4.862 1573 1367 A 38 LYS HBx A 38 LYS HE3 1.0 0.442 4.862 1574 1368 A 39 VAL H A 38 LYS HBy 1.0 0.421 4.631 1575 1368 A 39 VAL H A 38 LYS HBx 1.0 0.421 4.631 1576 1369 A 39 VAL H A 40 LEU HBy 1.0 0.488 5.368 1577 1369 A 39 VAL H A 40 LEU HBx 1.0 0.488 5.368 1578 1370 A 39 VAL HG1% A 74 LYS HBy 1.0 0.309 3.399 1579 1370 A 39 VAL HG2% A 74 LYS HBy 1.0 0.309 3.399 1580 1370 A 74 LYS HBx A 39 VAL HG1% 1.0 0.309 3.399 1581 1370 A 39 VAL HG2% A 74 LYS HBx 1.0 0.309 3.399 1582 1371 A 39 VAL HG2% A 74 LYS HGx 1.0 0.390 4.290 1583 1371 A 39 VAL HG1% A 74 LYS HGx 1.0 0.390 4.290 1584 1371 A 74 LYS HGy A 39 VAL HG1% 1.0 0.390 4.290 1585 1371 A 39 VAL HG2% A 74 LYS HGy 1.0 0.390 4.290 1586 1372 A 39 VAL HG1% A 75 GLY HAx 1.0 0.390 4.290 1587 1372 A 39 VAL HG2% A 75 GLY HAx 1.0 0.390 4.290 1588 1372 A 75 GLY HAy A 39 VAL HG1% 1.0 0.390 4.290 1589 1372 A 39 VAL HG2% A 75 GLY HAy 1.0 0.390 4.290 1590 1373 A 41 ASN H A 40 LEU HBy 1.0 0.398 4.378 1591 1373 A 41 ASN H A 40 LEU HBx 1.0 0.398 4.378 1592 1374 A 40 LEU HBx A 44 ASP HBx 1.0 0.447 4.917 1593 1374 A 40 LEU HBy A 44 ASP HBx 1.0 0.447 4.917 1594 1374 A 44 ASP HBy A 40 LEU HBy 1.0 0.447 4.917 1595 1374 A 40 LEU HBx A 44 ASP HBy 1.0 0.447 4.917 1596 1375 A 40 LEU HG A 44 ASP HBx 1.0 0.440 4.840 1597 1375 A 40 LEU HG A 44 ASP HBy 1.0 0.440 4.840 1598 1376 A 40 LEU HD1% A 44 ASP HBx 1.0 0.421 4.631 1599 1376 A 40 LEU HD1% A 44 ASP HBy 1.0 0.421 4.631 1600 1377 A 40 LEU HD2% A 44 ASP HBx 1.0 0.381 4.191 1601 1377 A 40 LEU HD2% A 44 ASP HBy 1.0 0.381 4.191 1602 1378 A 40 LEU HD2% A 45 GLU HBy 1.0 0.348 3.828 1603 1378 A 40 LEU HD2% A 45 GLU HBx 1.0 0.348 3.828 1604 1379 A 40 LEU HD2% A 45 GLU HGy 1.0 0.421 4.631 1605 1379 A 40 LEU HD2% A 45 GLU HGx 1.0 0.421 4.631 1606 1380 A 41 ASN H A 41 ASN HBx 1.0 0.333 3.663 1607 1380 A 41 ASN H A 41 ASN HBy 1.0 0.333 3.663 1608 1381 A 41 ASN H A 41 ASN HD22 1.0 0.505 5.555 1609 1381 A 41 ASN H A 41 ASN HD21 1.0 0.505 5.555 1610 1382 A 41 ASN H A 44 ASP HBx 1.0 0.404 4.444 1611 1382 A 41 ASN H A 44 ASP HBy 1.0 0.404 4.444 1612 1383 A 41 ASN HA A 42 PRO HGy 1.0 0.451 4.961 1613 1383 A 41 ASN HA A 42 PRO HGx 1.0 0.451 4.961 1614 1384 A 41 ASN HBx A 41 ASN HD22 1.0 0.316 3.476 1615 1384 A 41 ASN HBy A 41 ASN HD22 1.0 0.316 3.476 1616 1384 A 41 ASN HD21 A 41 ASN HBx 1.0 0.316 3.476 1617 1384 A 41 ASN HBy A 41 ASN HD21 1.0 0.316 3.476 1618 1385 A 41 ASN HBx A 42 PRO HGy 1.0 0.474 5.214 1619 1385 A 41 ASN HBy A 42 PRO HGy 1.0 0.474 5.214 1620 1385 A 42 PRO HGx A 41 ASN HBx 1.0 0.474 5.214 1621 1385 A 41 ASN HBy A 42 PRO HGx 1.0 0.474 5.214 1622 1386 A 41 ASN HBy A 42 PRO HDx 1.0 0.311 3.421 1623 1386 A 41 ASN HBx A 42 PRO HDx 1.0 0.311 3.421 1624 1386 A 42 PRO HDy A 41 ASN HBx 1.0 0.311 3.421 1625 1386 A 42 PRO HDy A 41 ASN HBy 1.0 0.311 3.421 1626 1387 A 43 ASP H A 41 ASN HBx 1.0 0.420 4.620 1627 1387 A 43 ASP H A 41 ASN HBy 1.0 0.420 4.620 1628 1388 A 44 ASP H A 41 ASN HBx 1.0 0.394 4.334 1629 1388 A 44 ASP H A 41 ASN HBy 1.0 0.394 4.334 1630 1389 A 41 ASN HD22 A 42 PRO HDx 1.0 0.516 5.676 1631 1389 A 41 ASN HD21 A 42 PRO HDx 1.0 0.516 5.676 1632 1389 A 42 PRO HDy A 41 ASN HD22 1.0 0.516 5.676 1633 1389 A 42 PRO HDy A 41 ASN HD21 1.0 0.516 5.676 1634 1390 A 42 PRO HA A 45 GLU HBy 1.0 0.377 4.147 1635 1390 A 42 PRO HA A 45 GLU HBx 1.0 0.377 4.147 1636 1391 A 43 ASP H A 42 PRO HGy 1.0 0.368 4.048 1637 1391 A 43 ASP H A 42 PRO HGx 1.0 0.368 4.048 1638 1392 A 43 ASP H A 43 ASP HBx 1.0 0.332 3.652 1639 1392 A 43 ASP H A 43 ASP HBy 1.0 0.332 3.652 1640 1393 A 44 ASP H A 43 ASP HBx 1.0 0.374 4.114 1641 1393 A 44 ASP H A 43 ASP HBy 1.0 0.374 4.114 1642 1394 A 44 ASP H A 44 ASP HBx 1.0 0.325 3.575 1643 1394 A 44 ASP H A 44 ASP HBy 1.0 0.325 3.575 1644 1395 A 44 ASP H A 45 GLU HBy 1.0 0.454 4.994 1645 1395 A 44 ASP H A 45 GLU HBx 1.0 0.454 4.994 1646 1396 A 45 GLU H A 44 ASP HBx 1.0 0.326 3.586 1647 1396 A 45 GLU H A 44 ASP HBy 1.0 0.326 3.586 1648 1397 A 67 ILE HG2% A 44 ASP HBx 1.0 0.334 3.674 1649 1397 A 67 ILE HG2% A 44 ASP HBy 1.0 0.334 3.674 1650 1398 A 67 ILE HD1% A 44 ASP HBx 1.0 0.342 3.762 1651 1398 A 67 ILE HD1% A 44 ASP HBy 1.0 0.342 3.762 1652 1399 A 45 GLU H A 45 GLU HBy 1.0 0.317 3.487 1653 1399 A 45 GLU H A 45 GLU HBx 1.0 0.317 3.487 1654 1400 A 45 GLU H A 45 GLU HGy 1.0 0.451 4.961 1655 1400 A 45 GLU H A 45 GLU HGx 1.0 0.451 4.961 1656 1401 A 46 GLU H A 45 GLU HBy 1.0 0.319 3.509 1657 1401 A 46 GLU H A 45 GLU HBx 1.0 0.319 3.509 1658 1402 A 49 LEU HD1% A 45 GLU HBy 1.0 0.424 4.664 1659 1402 A 49 LEU HD1% A 45 GLU HBx 1.0 0.424 4.664 1660 1403 A 49 LEU HG A 45 GLU HGy 1.0 0.439 4.829 1661 1403 A 49 LEU HG A 45 GLU HGx 1.0 0.439 4.829 1662 1404 A 49 LEU HD2% A 45 GLU HGy 1.0 0.386 4.246 1663 1404 A 49 LEU HD2% A 45 GLU HGx 1.0 0.386 4.246 1664 1405 A 46 GLU H A 46 GLU HGy 1.0 0.417 4.587 1665 1405 A 46 GLU H A 46 GLU HGx 1.0 0.417 4.587 1666 1406 A 46 GLU HA A 46 GLU HGy 1.0 0.373 4.103 1667 1406 A 46 GLU HA A 46 GLU HGx 1.0 0.373 4.103 1668 1407 A 47 GLN H A 46 GLU HGy 1.0 0.489 5.379 1669 1407 A 47 GLN H A 46 GLU HGx 1.0 0.489 5.379 1670 1408 A 47 GLN H A 47 GLN HGx 1.0 0.408 4.488 1671 1408 A 47 GLN H A 47 GLN HGy 1.0 0.408 4.488 1672 1409 A 47 GLN HA A 47 GLN HGx 1.0 0.365 4.015 1673 1409 A 47 GLN HA A 47 GLN HGy 1.0 0.365 4.015 1674 1410 A 48 VAL HG1% A 47 GLN HGx 1.0 0.524 5.764 1675 1410 A 48 VAL HG1% A 47 GLN HGy 1.0 0.524 5.764 1676 1411 A 48 VAL HG2% A 47 GLN HE21 1.0 0.476 5.236 1677 1411 A 48 VAL HG2% A 47 GLN HE22 1.0 0.476 5.236 1678 1412 A 50 SER H A 50 SER HBx 1.0 0.356 3.916 1679 1412 A 50 SER H A 50 SER HBy 1.0 0.356 3.916 1680 1413 A 51 ASP H A 52 PRO HDx 1.0 0.439 4.829 1681 1413 A 51 ASP H A 52 PRO HDy 1.0 0.439 4.829 1682 1414 A 51 ASP HA A 52 PRO HDx 1.0 0.304 3.344 1683 1414 A 51 ASP HA A 52 PRO HDy 1.0 0.304 3.344 1684 1415 A 51 ASP HBy A 52 PRO HDx 1.0 0.415 4.565 1685 1415 A 52 PRO HDy A 51 ASP HBx 1.0 0.415 4.565 1686 1415 A 52 PRO HDy A 51 ASP HBy 1.0 0.415 4.565 1687 1415 A 51 ASP HBx A 52 PRO HDx 1.0 0.415 4.565 1688 1416 A 51 ASP HBx A 54 LEU HBy 1.0 0.367 4.037 1689 1416 A 51 ASP HBy A 54 LEU HBy 1.0 0.367 4.037 1690 1416 A 54 LEU HBx A 51 ASP HBx 1.0 0.367 4.037 1691 1416 A 51 ASP HBy A 54 LEU HBx 1.0 0.367 4.037 1692 1417 A 54 LEU HG A 51 ASP HBx 1.0 0.417 4.587 1693 1417 A 54 LEU HG A 51 ASP HBy 1.0 0.417 4.587 1694 1418 A 54 LEU HD1% A 51 ASP HBx 1.0 0.383 4.213 1695 1418 A 54 LEU HD1% A 51 ASP HBy 1.0 0.383 4.213 1696 1419 A 53 ASN H A 52 PRO HDx 1.0 0.394 4.334 1697 1419 A 53 ASN H A 52 PRO HDy 1.0 0.394 4.334 1698 1420 A 53 ASN H A 53 ASN HBy 1.0 0.316 3.476 1699 1420 A 53 ASN H A 53 ASN HBx 1.0 0.316 3.476 1700 1421 A 53 ASN H A 53 ASN HD22 1.0 0.464 5.104 1701 1421 A 53 ASN H A 53 ASN HD21 1.0 0.464 5.104 1702 1422 A 53 ASN H A 54 LEU HBy 1.0 0.513 5.643 1703 1422 A 53 ASN H A 54 LEU HBx 1.0 0.513 5.643 1704 1423 A 53 ASN HBy A 53 ASN HD22 1.0 0.321 3.531 1705 1423 A 53 ASN HBx A 53 ASN HD22 1.0 0.321 3.531 1706 1423 A 53 ASN HD21 A 53 ASN HBy 1.0 0.321 3.531 1707 1423 A 53 ASN HBx A 53 ASN HD21 1.0 0.321 3.531 1708 1424 A 54 LEU HD1% A 54 LEU HBy 1.0 0.289 3.179 1709 1424 A 54 LEU HD1% A 54 LEU HBx 1.0 0.289 3.179 1710 1425 A 54 LEU HD2% A 54 LEU HBy 1.0 0.321 3.531 1711 1425 A 54 LEU HD2% A 54 LEU HBx 1.0 0.321 3.531 1712 1426 A 55 VAL H A 54 LEU HBy 1.0 0.394 4.334 1713 1426 A 55 VAL H A 54 LEU HBx 1.0 0.394 4.334 1714 1427 A 55 VAL H A 55 VAL HG2% 1.0 0.340 3.740 1715 1427 A 55 VAL H A 55 VAL HG1% 1.0 0.340 3.740 1716 1428 A 56 ILE H A 55 VAL HG2% 1.0 0.452 4.972 1717 1428 A 56 ILE H A 55 VAL HG1% 1.0 0.452 4.972 1718 1429 A 56 ILE HG2% A 60 LYS HGy 1.0 0.383 4.213 1719 1429 A 56 ILE HG2% A 60 LYS HGx 1.0 0.383 4.213 1720 1430 A 57 ARG HA A 57 ARG HGy 1.0 0.341 3.751 1721 1430 A 57 ARG HA A 57 ARG HGx 1.0 0.341 3.751 1722 1431 A 57 ARG HBx A 57 ARG HDx 1.0 0.357 3.927 1723 1431 A 57 ARG HBy A 57 ARG HDx 1.0 0.357 3.927 1724 1431 A 57 ARG HDy A 57 ARG HBx 1.0 0.357 3.927 1725 1431 A 57 ARG HDy A 57 ARG HBy 1.0 0.357 3.927 1726 1432 A 58 LYS H A 57 ARG HBx 1.0 0.377 4.147 1727 1432 A 58 LYS H A 57 ARG HBy 1.0 0.377 4.147 1728 1433 A 58 LYS HA A 57 ARG HBx 1.0 0.455 5.005 1729 1433 A 58 LYS HA A 57 ARG HBy 1.0 0.455 5.005 1730 1434 A 58 LYS H A 57 ARG HGy 1.0 0.490 5.390 1731 1434 A 58 LYS H A 57 ARG HGx 1.0 0.490 5.390 1732 1435 A 58 LYS H A 58 LYS HBy 1.0 0.336 3.696 1733 1435 A 58 LYS H A 58 LYS HBx 1.0 0.336 3.696 1734 1436 A 58 LYS H A 58 LYS HGx 1.0 0.446 4.906 1735 1436 A 58 LYS H A 58 LYS HGy 1.0 0.446 4.906 1736 1437 A 58 LYS HA A 58 LYS HGx 1.0 0.374 4.114 1737 1437 A 58 LYS HA A 58 LYS HGy 1.0 0.374 4.114 1738 1438 A 59 ARG H A 58 LYS HBy 1.0 0.361 3.971 1739 1438 A 59 ARG H A 58 LYS HBx 1.0 0.361 3.971 1740 1439 A 59 ARG H A 58 LYS HGx 1.0 0.424 4.664 1741 1439 A 59 ARG H A 58 LYS HGy 1.0 0.424 4.664 1742 1440 A 59 ARG H A 59 ARG HGx 1.0 0.507 5.577 1743 1440 A 59 ARG H A 59 ARG HGy 1.0 0.507 5.577 1744 1441 A 59 ARG H A 60 LYS HGy 1.0 0.445 4.895 1745 1441 A 59 ARG H A 60 LYS HGx 1.0 0.445 4.895 1746 1442 A 62 GLY H A 59 ARG HGx 1.0 0.517 5.687 1747 1442 A 62 GLY H A 59 ARG HGy 1.0 0.517 5.687 1748 1443 A 60 LYS H A 60 LYS HBx 1.0 0.368 4.048 1749 1443 A 60 LYS H A 60 LYS HBy 1.0 0.368 4.048 1750 1444 A 60 LYS H A 60 LYS HGy 1.0 0.350 3.850 1751 1444 A 60 LYS H A 60 LYS HGx 1.0 0.350 3.850 1752 1445 A 60 LYS HA A 60 LYS HDx 1.0 0.389 4.279 1753 1445 A 60 LYS HA A 60 LYS HDy 1.0 0.389 4.279 1754 1446 A 60 LYS HBx A 60 LYS HDx 1.0 0.319 3.509 1755 1446 A 60 LYS HBy A 60 LYS HDx 1.0 0.319 3.509 1756 1446 A 60 LYS HDy A 60 LYS HBx 1.0 0.319 3.509 1757 1446 A 60 LYS HBy A 60 LYS HDy 1.0 0.319 3.509 1758 1447 A 60 LYS HBx A 60 LYS HEy 1.0 0.429 4.719 1759 1447 A 60 LYS HEx A 60 LYS HBx 1.0 0.429 4.719 1760 1447 A 60 LYS HBy A 60 LYS HEx 1.0 0.429 4.719 1761 1447 A 60 LYS HBy A 60 LYS HEy 1.0 0.429 4.719 1762 1448 A 61 VAL H A 60 LYS HBx 1.0 0.357 3.927 1763 1448 A 61 VAL H A 60 LYS HBy 1.0 0.357 3.927 1764 1449 A 61 VAL H A 62 GLY HAx 1.0 0.534 5.874 1765 1449 A 61 VAL H A 62 GLY HAy 1.0 0.534 5.874 1766 1450 A 61 VAL HA A 64 LEU HBx 1.0 0.345 3.795 1767 1450 A 61 VAL HA A 64 LEU HBy 1.0 0.345 3.795 1768 1451 A 61 VAL HG1% A 64 LEU HBx 1.0 0.381 4.191 1769 1451 A 61 VAL HG1% A 64 LEU HBy 1.0 0.381 4.191 1770 1452 A 65 LEU H A 62 GLY HAx 1.0 0.534 5.874 1771 1452 A 65 LEU H A 62 GLY HAy 1.0 0.534 5.874 1772 1453 A 65 LEU HBx A 62 GLY HAx 1.0 0.437 4.807 1773 1453 A 65 LEU HBx A 62 GLY HAy 1.0 0.437 4.807 1774 1454 A 65 LEU HG A 62 GLY HAx 1.0 0.462 5.082 1775 1454 A 65 LEU HG A 62 GLY HAy 1.0 0.462 5.082 1776 1455 A 65 LEU HD1% A 62 GLY HAx 1.0 0.364 4.004 1777 1455 A 65 LEU HD1% A 62 GLY HAy 1.0 0.364 4.004 1778 1456 A 63 VAL H A 64 LEU HBx 1.0 0.461 5.071 1779 1456 A 63 VAL H A 64 LEU HBy 1.0 0.461 5.071 1780 1457 A 63 VAL HA A 66 ASP HBx 1.0 0.361 3.971 1781 1457 A 63 VAL HA A 66 ASP HBy 1.0 0.361 3.971 1782 1458 A 63 VAL HG1% A 66 ASP HBx 1.0 0.372 4.092 1783 1458 A 63 VAL HG1% A 66 ASP HBy 1.0 0.372 4.092 1784 1459 A 64 LEU HA A 67 ILE HG1x 1.0 0.504 5.544 1785 1459 A 64 LEU HA A 67 ILE HG1y 1.0 0.504 5.544 1786 1460 A 64 LEU HD1% A 64 LEU HBx 1.0 0.333 3.663 1787 1460 A 64 LEU HD1% A 64 LEU HBy 1.0 0.333 3.663 1788 1461 A 64 LEU HD2% A 64 LEU HBx 1.0 0.299 3.289 1789 1461 A 64 LEU HD2% A 64 LEU HBy 1.0 0.299 3.289 1790 1462 A 65 LEU H A 64 LEU HBx 1.0 0.360 3.960 1791 1462 A 65 LEU H A 64 LEU HBy 1.0 0.360 3.960 1792 1463 A 65 LEU H A 66 ASP HBx 1.0 0.507 5.577 1793 1463 A 65 LEU H A 66 ASP HBy 1.0 0.507 5.577 1794 1464 A 66 ASP H A 66 ASP HBx 1.0 0.307 3.377 1795 1464 A 66 ASP H A 66 ASP HBy 1.0 0.307 3.377 1796 1465 A 66 ASP H A 67 ILE HG1x 1.0 0.510 5.610 1797 1465 A 66 ASP H A 67 ILE HG1y 1.0 0.510 5.610 1798 1466 A 66 ASP HA A 69 GLN HBx 1.0 0.457 5.027 1799 1466 A 66 ASP HA A 69 GLN HBy 1.0 0.457 5.027 1800 1467 A 67 ILE H A 66 ASP HBx 1.0 0.351 3.861 1801 1467 A 67 ILE H A 66 ASP HBy 1.0 0.351 3.861 1802 1468 A 67 ILE H A 67 ILE HG1x 1.0 0.339 3.729 1803 1468 A 67 ILE H A 67 ILE HG1y 1.0 0.339 3.729 1804 1469 A 67 ILE HA A 67 ILE HG1x 1.0 0.335 3.685 1805 1469 A 67 ILE HA A 67 ILE HG1y 1.0 0.335 3.685 1806 1470 A 67 ILE HA A 70 ARG HDx 1.0 0.457 5.027 1807 1470 A 67 ILE HA A 70 ARG HDy 1.0 0.457 5.027 1808 1471 A 67 ILE HG2% A 67 ILE HG1x 1.0 0.338 3.718 1809 1471 A 67 ILE HG2% A 67 ILE HG1y 1.0 0.338 3.718 1810 1472 A 68 LEU H A 69 GLN HBx 1.0 0.497 5.467 1811 1472 A 68 LEU H A 69 GLN HBy 1.0 0.497 5.467 1812 1473 A 68 LEU HD1% A 75 GLY HAx 1.0 0.484 5.324 1813 1473 A 68 LEU HD1% A 75 GLY HAy 1.0 0.484 5.324 1814 1474 A 68 LEU HD2% A 75 GLY HAx 1.0 0.360 3.960 1815 1474 A 68 LEU HD2% A 75 GLY HAy 1.0 0.360 3.960 1816 1475 A 69 GLN H A 69 GLN HGx 1.0 0.414 4.554 1817 1475 A 69 GLN H A 69 GLN HGy 1.0 0.414 4.554 1818 1476 A 70 ARG H A 69 GLN HBx 1.0 0.390 4.290 1819 1476 A 70 ARG H A 69 GLN HBy 1.0 0.390 4.290 1820 1477 A 70 ARG H A 70 ARG HBy 1.0 0.305 3.355 1821 1477 A 70 ARG H A 70 ARG HBx 1.0 0.305 3.355 1822 1478 A 70 ARG H A 70 ARG HGx 1.0 0.400 4.400 1823 1478 A 70 ARG H A 70 ARG HGy 1.0 0.400 4.400 1824 1479 A 70 ARG H A 70 ARG HDx 1.0 0.447 4.917 1825 1479 A 70 ARG H A 70 ARG HDy 1.0 0.447 4.917 1826 1480 A 70 ARG HA A 70 ARG HDx 1.0 0.436 4.796 1827 1480 A 70 ARG HA A 70 ARG HDy 1.0 0.436 4.796 1828 1481 A 71 THR H A 70 ARG HBy 1.0 0.375 4.125 1829 1481 A 71 THR H A 70 ARG HBx 1.0 0.375 4.125 1830 1482 A 71 THR HB A 70 ARG HBy 1.0 0.407 4.477 1831 1482 A 71 THR HB A 70 ARG HBx 1.0 0.407 4.477 1832 1483 A 72 GLY H A 70 ARG HBy 1.0 0.497 5.467 1833 1483 A 72 GLY H A 70 ARG HBx 1.0 0.497 5.467 1834 1484 A 71 THR HG2% A 75 GLY HAx 1.0 0.443 4.873 1835 1484 A 71 THR HG2% A 75 GLY HAy 1.0 0.443 4.873 1836 1485 A 75 GLY H A 72 GLY HAy 1.0 0.529 5.819 1837 1485 A 75 GLY H A 72 GLY HAx 1.0 0.529 5.819 1838 1486 A 73 HIS HA A 76 TYR HBy 1.0 0.385 4.235 1839 1486 A 73 HIS HA A 76 TYR HBx 1.0 0.385 4.235 1840 1487 A 74 LYS H A 73 HIS HBx 1.0 0.381 4.191 1841 1487 A 74 LYS H A 73 HIS HBy 1.0 0.381 4.191 1842 1488 A 74 LYS H A 74 LYS HBy 1.0 0.316 3.476 1843 1488 A 74 LYS H A 74 LYS HBx 1.0 0.316 3.476 1844 1489 A 74 LYS H A 74 LYS HGx 1.0 0.442 4.862 1845 1489 A 74 LYS H A 74 LYS HGy 1.0 0.442 4.862 1846 1490 A 74 LYS HA A 75 GLY HAx 1.0 0.502 5.522 1847 1490 A 74 LYS HA A 75 GLY HAy 1.0 0.502 5.522 1848 1491 A 74 LYS HBy A 74 LYS HDx 1.0 0.328 3.608 1849 1491 A 74 LYS HBx A 74 LYS HDx 1.0 0.328 3.608 1850 1491 A 74 LYS HDy A 74 LYS HBy 1.0 0.328 3.608 1851 1491 A 74 LYS HBx A 74 LYS HDy 1.0 0.328 3.608 1852 1492 A 74 LYS HEy A 74 LYS HGx 1.0 0.335 3.685 1853 1492 A 74 LYS HEx A 74 LYS HGx 1.0 0.335 3.685 1854 1492 A 74 LYS HGy A 74 LYS HEx 1.0 0.335 3.685 1855 1492 A 74 LYS HEy A 74 LYS HGy 1.0 0.335 3.685 1856 1493 A 75 GLY H A 74 LYS HGx 1.0 0.488 5.368 1857 1493 A 75 GLY H A 74 LYS HGy 1.0 0.488 5.368 1858 1494 A 78 ALA H A 75 GLY HAx 1.0 0.482 5.302 1859 1494 A 78 ALA H A 75 GLY HAy 1.0 0.482 5.302 1860 1495 A 78 ALA HB% A 75 GLY HAx 1.0 0.385 4.235 1861 1495 A 78 ALA HB% A 75 GLY HAy 1.0 0.385 4.235 1862 1496 A 79 PHE H A 75 GLY HAx 1.0 0.462 5.082 1863 1496 A 79 PHE H A 75 GLY HAy 1.0 0.462 5.082 1864 1497 A 77 VAL H A 76 TYR HBy 1.0 0.347 3.817 1865 1497 A 77 VAL H A 76 TYR HBx 1.0 0.347 3.817 1866 1498 A 77 VAL HA A 76 TYR HBy 1.0 0.534 5.874 1867 1498 A 77 VAL HA A 76 TYR HBx 1.0 0.534 5.874 1868 1499 A 77 VAL HG1% A 81 GLU HGy 1.0 0.444 4.884 1869 1499 A 77 VAL HG1% A 81 GLU HGx 1.0 0.444 4.884 1870 1500 A 81 GLU HA A 81 GLU HGy 1.0 0.349 3.839 1871 1500 A 81 GLU HA A 81 GLU HGx 1.0 0.349 3.839 1872 1501 A 82 SER H A 82 SER HBy 1.0 0.341 3.751 1873 1501 A 82 SER H A 82 SER HBx 1.0 0.341 3.751 1874 1502 A 83 LEU H A 82 SER HBy 1.0 0.422 4.642 1875 1502 A 83 LEU H A 82 SER HBx 1.0 0.422 4.642 1876 1503 A 85 LEU HD1% A 82 SER HBy 1.0 0.534 5.874 1877 1503 A 85 LEU HD1% A 82 SER HBx 1.0 0.534 5.874 1878 1504 A 86 TYR HE% A 82 SER HBy 1.0 0.522 5.742 1879 1504 A 86 TYR HE% A 82 SER HBx 1.0 0.522 5.742 1880 1505 A 84 GLU H A 84 GLU HGx 1.0 0.420 4.620 1881 1505 A 84 GLU H A 84 GLU HGy 1.0 0.420 4.620 1882 1506 A 84 GLU HA A 84 GLU HGx 1.0 0.351 3.861 1883 1506 A 84 GLU HA A 84 GLU HGy 1.0 0.351 3.861 1884 1507 A 85 LEU H A 84 GLU HGx 1.0 0.469 5.159 1885 1507 A 85 LEU H A 84 GLU HGy 1.0 0.469 5.159 1886 1508 A 85 LEU HA A 84 GLU HGx 1.0 0.534 5.874 1887 1508 A 85 LEU HA A 84 GLU HGy 1.0 0.534 5.874 1888 1509 A 91 TYR HE% A 84 GLU HGx 1.0 0.504 5.544 1889 1509 A 91 TYR HE% A 84 GLU HGy 1.0 0.504 5.544 1890 1510 A 89 GLN H A 89 GLN HBy 1.0 0.368 4.048 1891 1510 A 89 GLN H A 89 GLN HBx 1.0 0.368 4.048 1892 1511 A 89 GLN H A 89 GLN HGx 1.0 0.496 5.456 1893 1511 A 89 GLN H A 89 GLN HGy 1.0 0.496 5.456 1894 1512 A 89 GLN HA A 89 GLN HGx 1.0 0.355 3.905 1895 1512 A 89 GLN HA A 89 GLN HGy 1.0 0.355 3.905 1896 1513 A 90 LEU H A 89 GLN HBy 1.0 0.358 3.938 1897 1513 A 90 LEU H A 89 GLN HBx 1.0 0.358 3.938 1898 1514 A 90 LEU H A 89 GLN HGx 1.0 0.435 4.785 1899 1514 A 90 LEU H A 89 GLN HGy 1.0 0.435 4.785 1900 1515 A 90 LEU HA A 93 LYS HBy 1.0 0.352 3.872 1901 1515 A 90 LEU HA A 93 LYS HBx 1.0 0.352 3.872 1902 1516 A 91 TYR HD% A 92 LYS HGx 1.0 0.458 5.038 1903 1516 A 91 TYR HD% A 92 LYS HGy 1.0 0.458 5.038 1904 1517 A 92 LYS H A 92 LYS HGx 1.0 0.388 4.268 1905 1517 A 92 LYS H A 92 LYS HGy 1.0 0.388 4.268 1906 1518 A 93 LYS H A 92 LYS HGx 1.0 0.495 5.445 1907 1518 A 93 LYS H A 92 LYS HGy 1.0 0.495 5.445 1908 1519 A 93 LYS H A 93 LYS HBy 1.0 0.314 3.454 1909 1519 A 93 LYS H A 93 LYS HBx 1.0 0.314 3.454 1910 1520 A 93 LYS H A 93 LYS HGx 1.0 0.414 4.554 1911 1520 A 93 LYS H A 93 LYS HGy 1.0 0.414 4.554 1912 1521 A 93 LYS HA A 93 LYS HGx 1.0 0.374 4.114 1913 1521 A 93 LYS HA A 93 LYS HGy 1.0 0.374 4.114 1914 1522 A 93 LYS HA A 93 LYS HDy 1.0 0.396 4.356 1915 1522 A 93 LYS HA A 93 LYS HDx 1.0 0.396 4.356 1916 1523 A 93 LYS HA A 93 LYS HEx 1.0 0.481 5.291 1917 1523 A 93 LYS HA A 93 LYS HEy 1.0 0.481 5.291 1918 1524 A 94 VAL H A 93 LYS HBy 1.0 0.330 3.630 1919 1524 A 94 VAL H A 93 LYS HBx 1.0 0.330 3.630 1920 1525 A 94 VAL HG1% A 93 LYS HBy 1.0 0.489 5.379 1921 1525 A 94 VAL HG1% A 93 LYS HBx 1.0 0.489 5.379 1922 1526 A 95 THR H A 93 LYS HBy 1.0 0.534 5.874 1923 1526 A 95 THR H A 93 LYS HBx 1.0 0.534 5.874 1924 1527 A 97 LYS H A 97 LYS HBy 1.0 0.314 3.454 1925 1527 A 97 LYS H A 97 LYS HBx 1.0 0.314 3.454 1926 1528 A 97 LYS H A 97 LYS HDx 1.0 0.452 4.972 1927 1528 A 97 LYS H A 97 LYS HDy 1.0 0.452 4.972 1928 1529 A 97 LYS HBx A 97 LYS HDx 1.0 0.319 3.509 1929 1529 A 97 LYS HBy A 97 LYS HDx 1.0 0.319 3.509 1930 1529 A 97 LYS HDy A 97 LYS HBy 1.0 0.319 3.509 1931 1529 A 97 LYS HBx A 97 LYS HDy 1.0 0.319 3.509 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _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 17 PHE H A 14 LEU O 1.0 0.0 2.0 2 2 A 14 LEU O A 17 PHE N 1.0 0.0 3.0 3 3 A 18 ARG H A 15 GLU O 1.0 0.0 2.0 4 4 A 15 GLU O A 18 ARG N 1.0 0.0 3.0 5 5 A 21 LEU H A 17 PHE O 1.0 0.0 2.0 6 6 A 17 PHE O A 21 LEU N 1.0 0.0 3.0 7 7 A 22 THR H A 18 ARG O 1.0 0.0 2.0 8 8 A 18 ARG O A 22 THR N 1.0 0.0 3.0 9 9 A 24 VAL H A 20 THR O 1.0 0.0 2.0 10 10 A 20 THR O A 24 VAL N 1.0 0.0 3.0 11 11 A 34 LEU H A 30 ILE O 1.0 0.0 2.0 12 12 A 30 ILE O A 34 LEU N 1.0 0.0 3.0 13 13 A 35 ARG H A 31 THR O 1.0 0.0 2.0 14 14 A 31 THR O A 35 ARG N 1.0 0.0 3.0 15 15 A 36 GLN H A 32 PRO O 1.0 0.0 2.0 16 16 A 32 PRO O A 36 GLN N 1.0 0.0 3.0 17 17 A 38 LYS H A 35 ARG O 1.0 0.0 2.0 18 18 A 35 ARG O A 38 LYS N 1.0 0.0 3.0 19 19 A 45 GLU H A 41 ASN O 1.0 0.0 2.0 20 20 A 41 ASN O A 45 GLU N 1.0 0.0 3.0 21 21 A 46 GLU H A 42 PRO O 1.0 0.0 2.0 22 22 A 42 PRO O A 46 GLU N 1.0 0.0 3.0 23 23 A 49 LEU H A 45 GLU O 1.0 0.0 2.0 24 24 A 45 GLU O A 49 LEU N 1.0 0.0 3.0 25 25 A 50 SER H A 46 GLU O 1.0 0.0 2.0 26 26 A 46 GLU O A 50 SER N 1.0 0.0 3.0 27 27 A 60 LYS H A 56 ILE O 1.0 0.0 2.0 28 28 A 56 ILE O A 60 LYS N 1.0 0.0 3.0 29 29 A 61 VAL H A 57 ARG O 1.0 0.0 2.0 30 30 A 57 ARG O A 61 VAL N 1.0 0.0 3.0 31 31 A 63 VAL H A 59 ARG O 1.0 0.0 2.0 32 32 A 59 ARG O A 63 VAL N 1.0 0.0 3.0 33 33 A 64 LEU H A 60 LYS O 1.0 0.0 2.0 34 34 A 60 LYS O A 64 LEU N 1.0 0.0 3.0 35 35 A 68 LEU H A 64 LEU O 1.0 0.0 2.0 36 36 A 64 LEU O A 68 LEU N 1.0 0.0 3.0 37 37 A 69 GLN H A 65 LEU O 1.0 0.0 2.0 38 38 A 65 LEU O A 69 GLN N 1.0 0.0 3.0 39 39 A 72 GLY H A 69 GLN O 1.0 0.0 2.0 40 40 A 69 GLN O A 72 GLY N 1.0 0.0 3.0 41 41 A 76 TYR H A 72 GLY O 1.0 0.0 2.0 42 42 A 72 GLY O A 76 TYR N 1.0 0.0 3.0 43 43 A 78 ALA H A 74 LYS O 1.0 0.0 2.0 44 44 A 74 LYS O A 78 ALA N 1.0 0.0 3.0 45 45 A 79 PHE H A 75 GLY O 1.0 0.0 2.0 46 46 A 75 GLY O A 79 PHE N 1.0 0.0 3.0 47 47 A 80 LEU H A 76 TYR O 1.0 0.0 2.0 48 48 A 76 TYR O A 80 LEU N 1.0 0.0 3.0 49 49 A 81 GLU H A 77 VAL O 1.0 0.0 2.0 50 50 A 77 VAL O A 81 GLU N 1.0 0.0 3.0 51 51 A 82 SER H A 78 ALA O 1.0 0.0 2.0 52 52 A 78 ALA O A 82 SER N 1.0 0.0 3.0 53 53 A 83 LEU H A 79 PHE O 1.0 0.0 2.0 54 54 A 79 PHE O A 83 LEU N 1.0 0.0 3.0 55 55 A 84 GLU H A 80 LEU O 1.0 0.0 2.0 56 56 A 80 LEU O A 84 GLU N 1.0 0.0 3.0 57 57 A 86 TYR H A 82 SER O 1.0 0.0 2.0 58 58 A 82 SER O A 86 TYR N 1.0 0.0 3.0 59 59 A 91 TYR H A 87 TYR O 1.0 0.0 2.0 60 60 A 87 TYR O A 91 TYR N 1.0 0.0 3.0 61 61 A 92 LYS H A 88 PRO O 1.0 0.0 2.0 62 62 A 88 PRO O A 92 LYS N 1.0 0.0 3.0 63 63 A 93 LYS H A 89 GLN O 1.0 0.0 2.0 64 64 A 89 GLN O A 93 LYS N 1.0 0.0 3.0 65 65 A 94 VAL H A 90 LEU O 1.0 0.0 2.0 66 66 A 90 LEU O A 94 VAL N 1.0 0.0 3.0 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 6 ASN C A 7 ASP N A 7 ASP CA A 7 ASP C 1.0 -82.8 -42.8 PHI 2 2 A 7 ASP N A 7 ASP CA A 7 ASP C A 8 ASP N 1.0 -58.0 -15.6 PSI 3 3 A 7 ASP C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -85.1 -45.1 PHI 4 4 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 GLU N 1.0 -60.8 -15.0 PSI 5 5 A 8 ASP C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -82.8 -42.8 PHI 6 6 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 CYS N 1.0 -60.7 -14.1 PSI 7 7 A 9 GLU C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -85.0 -45.0 PHI 8 8 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 TRP N 1.0 -65.6 -14.0 PSI 9 9 A 10 CYS C A 11 TRP N A 11 TRP CA A 11 TRP C 1.0 -82.9 -42.9 PHI 10 10 A 11 TRP N A 11 TRP CA A 11 TRP C A 12 SER N 1.0 -57.5 -17.5 PSI 11 11 A 11 TRP C A 12 SER N A 12 SER CA A 12 SER C 1.0 -85.0 -45.0 PHI 12 12 A 12 SER N A 12 SER CA A 12 SER C A 13 VAL N 1.0 -61.0 -21.0 PSI 13 13 A 12 SER C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -88.5 -48.5 PHI 14 14 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 LEU N 1.0 -63.7 -23.7 PSI 15 15 A 13 VAL C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -86.8 -46.8 PHI 16 16 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 GLU N 1.0 -60.2 -10.6 PSI 17 17 A 14 LEU C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -85.5 -45.5 PHI 18 18 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 GLY N 1.0 -57.6 -17.6 PSI 19 19 A 15 GLU C A 16 GLY N A 16 GLY CA A 16 GLY C 1.0 -89.1 -46.9 PHI 20 20 A 16 GLY N A 16 GLY CA A 16 GLY C A 17 PHE N 1.0 -54.9 10.5 PSI 21 21 A 16 GLY C A 17 PHE N A 17 PHE CA A 17 PHE C 1.0 -138.5 -75.9 PHI 22 22 A 17 PHE N A 17 PHE CA A 17 PHE C A 18 ARG N 1.0 -32.0 40.4 PSI 23 23 A 17 PHE C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -75.6 -35.6 PHI 24 24 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 VAL N 1.0 -66.2 -26.2 PSI 25 25 A 18 ARG C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -86.1 -46.1 PHI 26 26 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 THR N 1.0 -61.6 -11.6 PSI 27 27 A 19 VAL C A 20 THR N A 20 THR CA A 20 THR C 1.0 -91.6 -47.6 PHI 28 28 A 20 THR N A 20 THR CA A 20 THR C A 21 LEU N 1.0 -64.0 -16.2 PSI 29 29 A 20 THR C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -91.8 -48.2 PHI 30 30 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 THR N 1.0 -64.3 -24.3 PSI 31 31 A 21 LEU C A 22 THR N A 22 THR CA A 22 THR C 1.0 -86.1 -41.9 PHI 32 32 A 22 THR N A 22 THR CA A 22 THR C A 23 SER N 1.0 -65.9 7.1 PSI 33 33 A 27 PRO C A 28 SER N A 28 SER CA A 28 SER C 1.0 -86.9 -46.9 PHI 34 34 A 28 SER N A 28 SER CA A 28 SER C A 29 ARG N 1.0 -45.7 -5.7 PSI 35 35 A 28 SER C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -104.7 -44.3 PHI 36 36 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 ILE N 1.0 -71.8 5.2 PSI 37 37 A 32 PRO C A 33 TYR N A 33 TYR CA A 33 TYR C 1.0 -83.6 -43.6 PHI 38 38 A 33 TYR N A 33 TYR CA A 33 TYR C A 34 LEU N 1.0 -62.9 -22.9 PSI 39 39 A 33 TYR C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -84.8 -44.8 PHI 40 40 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 ARG N 1.0 -59.1 -19.1 PSI 41 41 A 34 LEU C A 35 ARG N A 35 ARG CA A 35 ARG C 1.0 -85.1 -45.1 PHI 42 42 A 35 ARG N A 35 ARG CA A 35 ARG C A 36 GLN N 1.0 -60.0 -20.0 PSI 43 43 A 35 ARG C A 36 GLN N A 36 GLN CA A 36 GLN C 1.0 -83.2 -43.2 PHI 44 44 A 36 GLN N A 36 GLN CA A 36 GLN C A 37 CYS N 1.0 -52.8 -12.8 PSI 45 45 A 39 VAL C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -171.2 -89.0 PHI 46 46 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 ASN N 1.0 119.3 166.3 PSI 47 47 A 40 LEU C A 41 ASN N A 41 ASN CA A 41 ASN C 1.0 -117.7 -49.9 PHI 48 48 A 41 ASN N A 41 ASN CA A 41 ASN C A 42 PRO N 1.0 95.3 176.3 PSI 49 49 A 42 PRO C A 43 ASP N A 43 ASP CA A 43 ASP C 1.0 -86.1 -46.1 PHI 50 50 A 43 ASP N A 43 ASP CA A 43 ASP C A 44 ASP N 1.0 -54.9 -14.9 PSI 51 51 A 43 ASP C A 44 ASP N A 44 ASP CA A 44 ASP C 1.0 -84.4 -44.4 PHI 52 52 A 44 ASP N A 44 ASP CA A 44 ASP C A 45 GLU N 1.0 -65.5 -25.5 PSI 53 53 A 44 ASP C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -86.2 -46.2 PHI 54 54 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 GLU N 1.0 -58.2 -18.2 PSI 55 55 A 45 GLU C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -83.0 -43.0 PHI 56 56 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 GLN N 1.0 -59.0 -19.0 PSI 57 57 A 46 GLU C A 47 GLN N A 47 GLN CA A 47 GLN C 1.0 -86.5 -46.5 PHI 58 58 A 47 GLN N A 47 GLN CA A 47 GLN C A 48 VAL N 1.0 -57.5 -17.5 PSI 59 59 A 47 GLN C A 48 VAL N A 48 VAL CA A 48 VAL C 1.0 -90.0 -46.8 PHI 60 60 A 48 VAL N A 48 VAL CA A 48 VAL C A 49 LEU N 1.0 -61.2 -20.0 PSI 61 61 A 48 VAL C A 49 LEU N A 49 LEU CA A 49 LEU C 1.0 -107.1 -37.9 PHI 62 62 A 49 LEU N A 49 LEU CA A 49 LEU C A 50 SER N 1.0 -58.7 -12.3 PSI 63 63 A 49 LEU C A 50 SER N A 50 SER CA A 50 SER C 1.0 -119.9 -68.5 PHI 64 64 A 50 SER N A 50 SER CA A 50 SER C A 51 ASP N 1.0 -33.7 6.3 PSI 65 65 A 54 LEU C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -89.7 -49.7 PHI 66 66 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 ILE N 1.0 -60.4 -11.4 PSI 67 67 A 55 VAL C A 56 ILE N A 56 ILE CA A 56 ILE C 1.0 -117.0 -39.0 PHI 68 68 A 56 ILE N A 56 ILE CA A 56 ILE C A 57 ARG N 1.0 -62.4 21.2 PSI 69 69 A 56 ILE C A 57 ARG N A 57 ARG CA A 57 ARG C 1.0 -76.4 -36.4 PHI 70 70 A 57 ARG N A 57 ARG CA A 57 ARG C A 58 LYS N 1.0 -66.7 -26.7 PSI 71 71 A 57 ARG C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -78.3 -38.3 PHI 72 72 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 ARG N 1.0 -60.5 -20.5 PSI 73 73 A 58 LYS C A 59 ARG N A 59 ARG CA A 59 ARG C 1.0 -85.8 -45.8 PHI 74 74 A 59 ARG N A 59 ARG CA A 59 ARG C A 60 LYS N 1.0 -62.9 -22.9 PSI 75 75 A 59 ARG C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -83.3 -43.3 PHI 76 76 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 VAL N 1.0 -66.1 -26.1 PSI 77 77 A 60 LYS C A 61 VAL N A 61 VAL CA A 61 VAL C 1.0 -84.1 -44.1 PHI 78 78 A 61 VAL N A 61 VAL CA A 61 VAL C A 62 GLY N 1.0 -61.5 -21.5 PSI 79 79 A 61 VAL C A 62 GLY N A 62 GLY CA A 62 GLY C 1.0 -83.7 -43.7 PHI 80 80 A 62 GLY N A 62 GLY CA A 62 GLY C A 63 VAL N 1.0 -61.6 -21.6 PSI 81 81 A 62 GLY C A 63 VAL N A 63 VAL CA A 63 VAL C 1.0 -82.0 -42.0 PHI 82 82 A 63 VAL N A 63 VAL CA A 63 VAL C A 64 LEU N 1.0 -65.7 -25.7 PSI 83 83 A 63 VAL C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -84.4 -44.4 PHI 84 84 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 LEU N 1.0 -62.2 -22.2 PSI 85 85 A 64 LEU C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -80.8 -40.8 PHI 86 86 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 ASP N 1.0 -60.3 -20.3 PSI 87 87 A 65 LEU C A 66 ASP N A 66 ASP CA A 66 ASP C 1.0 -85.3 -45.3 PHI 88 88 A 66 ASP N A 66 ASP CA A 66 ASP C A 67 ILE N 1.0 -60.1 -20.1 PSI 89 89 A 66 ASP C A 67 ILE N A 67 ILE CA A 67 ILE C 1.0 -90.3 -43.7 PHI 90 90 A 67 ILE N A 67 ILE CA A 67 ILE C A 68 LEU N 1.0 -61.6 -21.6 PSI 91 91 A 67 ILE C A 68 LEU N A 68 LEU CA A 68 LEU C 1.0 -80.9 -40.9 PHI 92 92 A 68 LEU N A 68 LEU CA A 68 LEU C A 69 GLN N 1.0 -60.5 -20.5 PSI 93 93 A 68 LEU C A 69 GLN N A 69 GLN CA A 69 GLN C 1.0 -85.7 -45.7 PHI 94 94 A 69 GLN N A 69 GLN CA A 69 GLN C A 70 ARG N 1.0 -57.5 -17.5 PSI 95 95 A 69 GLN C A 70 ARG N A 70 ARG CA A 70 ARG C 1.0 -93.6 -52.8 PHI 96 96 A 70 ARG N A 70 ARG CA A 70 ARG C A 71 THR N 1.0 -57.2 -13.0 PSI 97 97 A 70 ARG C A 71 THR N A 71 THR CA A 71 THR C 1.0 -108.7 -41.7 PHI 98 98 A 71 THR N A 71 THR CA A 71 THR C A 72 GLY N 1.0 -65.0 18.2 PSI 99 99 A 71 THR C A 72 GLY N A 72 GLY CA A 72 GLY C 1.0 -108.8 -35.2 PHI 100 100 A 72 GLY N A 72 GLY CA A 72 GLY C A 73 HIS N 1.0 -70.3 11.9 PSI 101 101 A 73 HIS C A 74 LYS N A 74 LYS CA A 74 LYS C 1.0 -83.0 -43.0 PHI 102 102 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 GLY N 1.0 -58.8 -18.6 PSI 103 103 A 74 LYS C A 75 GLY N A 75 GLY CA A 75 GLY C 1.0 -84.1 -44.1 PHI 104 104 A 75 GLY N A 75 GLY CA A 75 GLY C A 76 TYR N 1.0 -62.2 -22.2 PSI 105 105 A 75 GLY C A 76 TYR N A 76 TYR CA A 76 TYR C 1.0 -85.0 -45.0 PHI 106 106 A 76 TYR N A 76 TYR CA A 76 TYR C A 77 VAL N 1.0 -64.6 -24.6 PSI 107 107 A 76 TYR C A 77 VAL N A 77 VAL CA A 77 VAL C 1.0 -78.9 -38.9 PHI 108 108 A 77 VAL N A 77 VAL CA A 77 VAL C A 78 ALA N 1.0 -60.4 -20.4 PSI 109 109 A 77 VAL C A 78 ALA N A 78 ALA CA A 78 ALA C 1.0 -83.2 -43.2 PHI 110 110 A 78 ALA N A 78 ALA CA A 78 ALA C A 79 PHE N 1.0 -66.0 -26.0 PSI 111 111 A 78 ALA C A 79 PHE N A 79 PHE CA A 79 PHE C 1.0 -84.9 -44.9 PHI 112 112 A 79 PHE N A 79 PHE CA A 79 PHE C A 80 LEU N 1.0 -62.3 -22.3 PSI 113 113 A 79 PHE C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -82.8 -42.8 PHI 114 114 A 80 LEU N A 80 LEU CA A 80 LEU C A 81 GLU N 1.0 -64.0 -24.0 PSI 115 115 A 80 LEU C A 81 GLU N A 81 GLU CA A 81 GLU C 1.0 -83.6 -43.6 PHI 116 116 A 81 GLU N A 81 GLU CA A 81 GLU C A 82 SER N 1.0 -59.1 -19.1 PSI 117 117 A 81 GLU C A 82 SER N A 82 SER CA A 82 SER C 1.0 -85.7 -45.7 PHI 118 118 A 82 SER N A 82 SER CA A 82 SER C A 83 LEU N 1.0 -59.5 -19.5 PSI 119 119 A 82 SER C A 83 LEU N A 83 LEU CA A 83 LEU C 1.0 -85.5 -45.5 PHI 120 120 A 83 LEU N A 83 LEU CA A 83 LEU C A 84 GLU N 1.0 -61.0 -21.0 PSI 121 121 A 83 LEU C A 84 GLU N A 84 GLU CA A 84 GLU C 1.0 -83.9 -43.9 PHI 122 122 A 84 GLU N A 84 GLU CA A 84 GLU C A 85 LEU N 1.0 -61.6 -21.6 PSI 123 123 A 84 GLU C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -102.4 -35.8 PHI 124 124 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 TYR N 1.0 -54.9 -14.9 PSI 125 125 A 85 LEU C A 86 TYR N A 86 TYR CA A 86 TYR C 1.0 -112.1 -53.1 PHI 126 126 A 86 TYR N A 86 TYR CA A 86 TYR C A 87 TYR N 1.0 -66.4 29.6 PSI 127 127 A 88 PRO C A 89 GLN N A 89 GLN CA A 89 GLN C 1.0 -84.3 -44.3 PHI 128 128 A 89 GLN N A 89 GLN CA A 89 GLN C A 90 LEU N 1.0 -54.2 -14.2 PSI 129 129 A 89 GLN C A 90 LEU N A 90 LEU CA A 90 LEU C 1.0 -84.2 -44.2 PHI 130 130 A 90 LEU N A 90 LEU CA A 90 LEU C A 91 TYR N 1.0 -64.4 -24.4 PSI 131 131 A 90 LEU C A 91 TYR N A 91 TYR CA A 91 TYR C 1.0 -81.6 -41.6 PHI 132 132 A 91 TYR N A 91 TYR CA A 91 TYR C A 92 LYS N 1.0 -61.7 -21.7 PSI 133 133 A 91 TYR C A 92 LYS N A 92 LYS CA A 92 LYS C 1.0 -80.5 -40.5 PHI 134 134 A 92 LYS N A 92 LYS CA A 92 LYS C A 93 LYS N 1.0 -64.1 -24.1 PSI 135 135 A 92 LYS C A 93 LYS N A 93 LYS CA A 93 LYS C 1.0 -89.9 -49.9 PHI 136 136 A 93 LYS N A 93 LYS CA A 93 LYS C A 94 VAL N 1.0 -67.1 -27.1 PSI 137 137 A 93 LYS C A 94 VAL N A 94 VAL CA A 94 VAL C 1.0 -89.8 -37.4 PHI 138 138 A 94 VAL N A 94 VAL CA A 94 VAL C A 95 THR N 1.0 -58.1 -4.9 PSI 139 139 A 94 VAL C A 95 THR N A 95 THR CA A 95 THR C 1.0 -126.0 -81.0 PHI 140 140 A 95 THR N A 95 THR CA A 95 THR C A 96 GLY N 1.0 -36.7 36.5 PSI 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.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 13.0204 . aliased . . 2 ppm . . 28.0324 . aliased . . 3 ppm . . 13.0204 . aliased . . 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.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 13.9505 . aliased . . 2 ppm . . 40.4797 . aliased . . 3 ppm . . 13.9505 . aliased . . 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.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 13.9505 . aliased . . 2 ppm . . 40.4797 . aliased . . 3 ppm . . 13.9505 . aliased . . stop_ save_ save_spectral_peak_list_4 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_4 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 13.9505 . aliased . . 2 ppm . . 30.0146 . aliased . . 3 ppm . . 13.9505 . aliased . . stop_ save_