data_nef_c18734_2lz0 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 SER middle . . 3 A 3 HIS middle . . 4 A 4 GLU middle . . 5 A 5 GLY middle . false 6 A 6 GLU middle . . 7 A 7 PRO middle . false 8 A 8 VAL middle . . 9 A 9 VAL middle . . 10 A 10 GLY middle . false 11 A 11 MET middle . . 12 A 12 ASP middle . . 13 A 13 LYS middle . . 14 A 14 SER middle . . 15 A 15 LEU middle . . 16 A 16 PHE middle . . 17 A 17 ALA middle . . 18 A 18 GLY middle . false 19 A 19 ASN middle . . 20 A 20 THR middle . . 21 A 21 VAL middle . . 22 A 22 ILE middle . . 23 A 23 ARG middle . . 24 A 24 GLU middle . . 25 A 25 ILE middle . . 26 A 26 THR middle . . 27 A 27 VAL middle . . 28 A 28 GLN middle . . 29 A 29 PRO middle . false 30 A 30 ASN middle . . 31 A 31 ILE middle . . 32 A 32 GLY middle . false 33 A 33 LEU middle . . 34 A 34 LEU middle . . 35 A 35 TYR middle . . 36 A 36 ASP middle . . 37 A 37 GLY middle . false 38 A 38 MET middle . . 39 A 39 PHE middle . . 40 A 40 SER middle . . 41 A 41 GLY middle . false 42 A 42 CYS middle . . 43 A 43 THR middle . . 44 A 44 ALA middle . . 45 A 45 LEU middle . . 46 A 46 GLU middle . . 47 A 47 LYS middle . . 48 A 48 LEU middle . . 49 A 49 ILE middle . . 50 A 50 LEU middle . . 51 A 51 THR middle . . 52 A 52 GLY middle . false 53 A 53 GLU middle . . 54 A 54 ASP middle . . 55 A 55 PRO middle . false 56 A 56 SER middle . . 57 A 57 ALA middle . . 58 A 58 TYR middle . . 59 A 59 SER middle . . 60 A 60 ALA middle . . 61 A 61 GLY middle . false 62 A 62 ASP middle . . 63 A 63 GLY middle . false 64 A 64 LEU middle . . 65 A 65 ARG middle . . 66 A 66 ASP middle . . 67 A 67 GLY middle . false 68 A 68 ALA middle . . 69 A 69 ASP middle . . 70 A 70 PHE middle . . 71 A 71 LEU middle . . 72 A 72 ILE middle . . 73 A 73 CYS middle . . 74 A 74 VAL middle . . 75 A 75 PRO middle . false 76 A 76 GLU middle . . 77 A 77 GLU middle . . 78 A 78 ALA middle . . 79 A 79 LEU middle . . 80 A 80 ASP middle . . 81 A 81 ARG middle . . 82 A 82 TYR middle . . 83 A 83 ARG middle . . 84 A 84 ARG middle . . 85 A 85 ASP middle . . 86 A 86 TYR middle . . 87 A 87 PHE middle . . 88 A 88 TRP middle . . 89 A 89 GLN middle . . 90 A 90 THR middle . . 91 A 91 TYR middle . . 92 A 92 ALA middle . . 93 A 93 ALA middle . . 94 A 94 TRP middle . . 95 A 95 ILE middle . . 96 A 96 GLN middle . . 97 A 97 PRO middle . false 98 A 98 MET middle . . 99 A 99 GLU middle . . 100 A 100 GLN end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 SER HA H 1 4.373 0.005 A 2 SER HB2 H 1 3.753 0.005 A 2 SER HB3 H 1 3.721 0.005 A 2 SER CA C 13 55.756 0.098 A 2 SER CB C 13 61.143 0.098 A 3 HIS HA H 1 4.613 0.005 A 3 HIS HB2 H 1 3.192 0.005 A 3 HIS HB3 H 1 3.043 0.005 A 3 HIS HD2 H 1 7.137 0.005 A 3 HIS CA C 13 52.991 0.098 A 3 HIS CB C 13 26.607 0.098 A 3 HIS CD2 C 13 117.491 0.098 A 4 GLU H H 1 8.415 0.005 A 4 GLU HA H 1 4.171 0.005 A 4 GLU HB2 H 1 1.850 0.005 A 4 GLU HB3 H 1 1.950 0.005 A 4 GLU HG2 H 1 2.157 0.005 A 4 GLU HG3 H 1 2.157 0.005 A 4 GLU CA C 13 54.441 0.098 A 4 GLU CB C 13 27.585 0.098 A 4 GLU CG C 13 33.605 0.098 A 4 GLU N N 15 122.124 0.148 A 5 GLY H H 1 8.488 0.005 A 5 GLY HA2 H 1 3.927 0.005 A 5 GLY HA3 H 1 3.826 0.005 A 5 GLY CA C 13 42.610 0.098 A 5 GLY N N 15 110.434 0.148 A 6 GLU H H 1 7.954 0.005 A 6 GLU HA H 1 4.560 0.005 A 6 GLU HB2 H 1 1.838 0.005 A 6 GLU HB3 H 1 2.029 0.005 A 6 GLU HG2 H 1 2.205 0.005 A 6 GLU HG3 H 1 2.205 0.005 A 6 GLU CA C 13 51.629 0.098 A 6 GLU CB C 13 26.998 0.098 A 6 GLU CG C 13 33.508 0.098 A 6 GLU N N 15 121.376 0.148 A 7 PRO HA H 1 4.464 0.005 A 7 PRO HB2 H 1 2.200 0.005 A 7 PRO HB3 H 1 1.922 0.005 A 7 PRO HD2 H 1 3.778 0.005 A 7 PRO HD3 H 1 3.690 0.005 A 7 PRO HG2 H 1 1.996 0.005 A 7 PRO HG3 H 1 1.966 0.005 A 7 PRO CA C 13 60.517 0.098 A 7 PRO CB C 13 29.486 0.098 A 7 PRO CD C 13 47.932 0.098 A 7 PRO CG C 13 25.093 0.098 A 8 VAL H H 1 8.177 0.005 A 8 VAL HA H 1 4.387 0.005 A 8 VAL HB H 1 1.933 0.005 A 8 VAL HG1% H 1 0.829 0.005 A 8 VAL HG2% H 1 0.829 0.005 A 8 VAL CA C 13 58.483 0.098 A 8 VAL CB C 13 31.177 0.098 A 8 VAL CG1 C 13 18.625 0.098 A 8 VAL CG2 C 13 18.477 0.098 A 8 VAL N N 15 120.493 0.148 A 9 VAL H H 1 8.246 0.005 A 9 VAL HA H 1 4.024 0.005 A 9 VAL HB H 1 2.015 0.005 A 9 VAL HG1% H 1 0.822 0.005 A 9 VAL HG2% H 1 0.935 0.005 A 9 VAL CA C 13 60.336 0.098 A 9 VAL CB C 13 29.995 0.098 A 9 VAL CG1 C 13 18.935 0.098 A 9 VAL CG2 C 13 19.479 0.098 A 9 VAL N N 15 124.516 0.148 A 10 GLY H H 1 8.595 0.005 A 10 GLY HA2 H 1 3.776 0.005 A 10 GLY HA3 H 1 4.139 0.005 A 10 GLY CA C 13 42.318 0.098 A 10 GLY N N 15 114.968 0.148 A 11 MET H H 1 8.320 0.005 A 11 MET HB2 H 1 1.994 0.005 A 11 MET HB3 H 1 1.994 0.005 A 11 MET HE% H 1 2.046 0.005 A 11 MET HG2 H 1 2.549 0.005 A 11 MET HG3 H 1 2.449 0.005 A 11 MET CA C 13 53.802 0.098 A 11 MET CB C 13 30.698 0.098 A 11 MET CE C 13 14.651 0.098 A 11 MET CG C 13 29.557 0.098 A 11 MET N N 15 120.532 0.148 A 12 ASP H H 1 8.261 0.005 A 12 ASP HA H 1 4.637 0.005 A 12 ASP HB2 H 1 2.746 0.005 A 12 ASP HB3 H 1 2.478 0.005 A 12 ASP CB C 13 38.090 0.098 A 12 ASP N N 15 120.515 0.148 A 13 LYS H H 1 8.579 0.005 A 13 LYS HA H 1 4.623 0.005 A 13 LYS HB2 H 1 1.817 0.005 A 13 LYS HB3 H 1 2.013 0.005 A 13 LYS HD2 H 1 1.670 0.005 A 13 LYS HD3 H 1 1.622 0.005 A 13 LYS HE2 H 1 2.800 0.005 A 13 LYS HE3 H 1 2.800 0.005 A 13 LYS HG2 H 1 1.353 0.005 A 13 LYS HG3 H 1 1.543 0.005 A 13 LYS CA C 13 50.898 0.098 A 13 LYS CB C 13 30.003 0.098 A 13 LYS CD C 13 26.774 0.098 A 13 LYS CE C 13 39.731 0.098 A 13 LYS CG C 13 23.164 0.098 A 13 LYS N N 15 123.685 0.148 A 14 SER H H 1 8.507 0.005 A 14 SER HA H 1 4.447 0.005 A 14 SER HB2 H 1 3.938 0.005 A 14 SER HB3 H 1 3.815 0.005 A 14 SER CA C 13 56.917 0.098 A 14 SER CB C 13 61.536 0.098 A 14 SER N N 15 115.048 0.148 A 15 LEU H H 1 6.908 0.005 A 15 LEU HA H 1 3.989 0.005 A 15 LEU HB2 H 1 1.137 0.005 A 15 LEU HB3 H 1 1.023 0.005 A 15 LEU HD1% H 1 0.637 0.005 A 15 LEU HD2% H 1 0.734 0.005 A 15 LEU HG H 1 1.221 0.005 A 15 LEU CA C 13 53.219 0.098 A 15 LEU CB C 13 39.813 0.098 A 15 LEU CD1 C 13 20.571 0.098 A 15 LEU CD2 C 13 22.415 0.098 A 15 LEU CG C 13 23.958 0.098 A 15 LEU N N 15 119.294 0.148 A 16 PHE H H 1 7.658 0.005 A 16 PHE HA H 1 4.397 0.005 A 16 PHE HB2 H 1 2.780 0.005 A 16 PHE HB3 H 1 3.167 0.005 A 16 PHE HD1 H 1 7.009 0.005 A 16 PHE HE1 H 1 7.239 0.005 A 16 PHE HZ H 1 7.306 0.005 A 16 PHE CA C 13 56.719 0.098 A 16 PHE CB C 13 37.917 0.098 A 16 PHE CD2 C 13 128.762 0.098 A 16 PHE CE2 C 13 128.810 0.098 A 16 PHE CZ C 13 127.626 0.098 A 16 PHE N N 15 117.103 0.148 A 17 ALA H H 1 7.514 0.005 A 17 ALA HA H 1 3.964 0.005 A 17 ALA HB% H 1 1.305 0.005 A 17 ALA CA C 13 51.840 0.098 A 17 ALA CB C 13 15.004 0.098 A 17 ALA N N 15 120.694 0.148 A 18 GLY H H 1 8.204 0.005 A 18 GLY HA2 H 1 3.497 0.005 A 18 GLY HA3 H 1 4.145 0.005 A 18 GLY CA C 13 43.150 0.098 A 18 GLY N N 15 110.007 0.148 A 19 ASN H H 1 8.124 0.005 A 19 ASN HA H 1 4.733 0.005 A 19 ASN HB2 H 1 3.319 0.005 A 19 ASN HB3 H 1 2.760 0.005 A 19 ASN HD21 H 1 7.189 0.005 A 19 ASN HD22 H 1 8.026 0.005 A 19 ASN CB C 13 36.020 0.098 A 19 ASN N N 15 119.323 0.148 A 19 ASN ND2 N 15 113.566 0.148 A 20 THR H H 1 8.400 0.005 A 20 THR HA H 1 4.243 0.005 A 20 THR HB H 1 4.534 0.005 A 20 THR HG2% H 1 1.365 0.005 A 20 THR CA C 13 60.224 0.098 A 20 THR CB C 13 66.167 0.098 A 20 THR CG2 C 13 19.576 0.098 A 20 THR N N 15 116.844 0.148 A 21 VAL H H 1 8.412 0.005 A 21 VAL HA H 1 4.161 0.005 A 21 VAL HB H 1 2.080 0.005 A 21 VAL HG1% H 1 0.860 0.005 A 21 VAL HG2% H 1 0.860 0.005 A 21 VAL CA C 13 59.739 0.098 A 21 VAL CB C 13 31.224 0.098 A 21 VAL CG1 C 13 18.356 0.098 A 21 VAL CG2 C 13 18.354 0.098 A 21 VAL N N 15 117.661 0.148 A 22 ILE H H 1 7.300 0.005 A 22 ILE HA H 1 3.873 0.005 A 22 ILE HB H 1 1.612 0.005 A 22 ILE HD1% H 1 0.996 0.005 A 22 ILE HG12 H 1 1.518 0.005 A 22 ILE HG13 H 1 0.994 0.005 A 22 ILE HG2% H 1 0.893 0.005 A 22 ILE CA C 13 59.860 0.098 A 22 ILE CB C 13 37.052 0.098 A 22 ILE CD1 C 13 12.437 0.098 A 22 ILE CG1 C 13 25.621 0.098 A 22 ILE CG2 C 13 14.621 0.098 A 22 ILE N N 15 120.465 0.148 A 23 ARG H H 1 8.328 0.005 A 23 ARG HA H 1 4.940 0.005 A 23 ARG HB2 H 1 1.860 0.005 A 23 ARG HB3 H 1 1.620 0.005 A 23 ARG HD2 H 1 3.194 0.005 A 23 ARG HD3 H 1 3.143 0.005 A 23 ARG HG2 H 1 1.602 0.005 A 23 ARG HG3 H 1 1.789 0.005 A 23 ARG CA C 13 54.175 0.098 A 23 ARG CB C 13 30.921 0.098 A 23 ARG CD C 13 41.133 0.098 A 23 ARG CG C 13 25.204 0.098 A 23 ARG N N 15 122.168 0.148 A 24 GLU H H 1 7.474 0.005 A 24 GLU HA H 1 5.100 0.005 A 24 GLU HB2 H 1 1.816 0.005 A 24 GLU HB3 H 1 1.691 0.005 A 24 GLU HG2 H 1 1.996 0.005 A 24 GLU HG3 H 1 1.996 0.005 A 24 GLU CA C 13 51.948 0.098 A 24 GLU CB C 13 30.737 0.098 A 24 GLU CG C 13 33.258 0.098 A 24 GLU N N 15 117.968 0.148 A 25 ILE H H 1 7.591 0.005 A 25 ILE HA H 1 4.205 0.005 A 25 ILE HB H 1 0.950 0.005 A 25 ILE HD1% H 1 0.145 0.005 A 25 ILE HG12 H 1 1.000 0.005 A 25 ILE HG13 H 1 0.560 0.005 A 25 ILE HG2% H 1 0.301 0.005 A 25 ILE CA C 13 57.149 0.098 A 25 ILE CB C 13 39.882 0.098 A 25 ILE CD1 C 13 12.298 0.098 A 25 ILE CG1 C 13 25.322 0.098 A 25 ILE CG2 C 13 14.831 0.098 A 25 ILE N N 15 121.135 0.148 A 26 THR H H 1 8.243 0.005 A 26 THR HA H 1 4.999 0.005 A 26 THR HB H 1 3.804 0.005 A 26 THR HG2% H 1 0.975 0.005 A 26 THR CA C 13 59.185 0.098 A 26 THR CB C 13 67.259 0.098 A 26 THR CG2 C 13 19.336 0.098 A 26 THR N N 15 122.935 0.148 A 27 VAL H H 1 9.216 0.005 A 27 VAL HA H 1 4.421 0.005 A 27 VAL HB H 1 2.158 0.005 A 27 VAL HG1% H 1 1.187 0.005 A 27 VAL HG2% H 1 0.692 0.005 A 27 VAL CA C 13 58.144 0.098 A 27 VAL CB C 13 30.727 0.098 A 27 VAL CG1 C 13 20.288 0.098 A 27 VAL CG2 C 13 18.899 0.098 A 27 VAL N N 15 124.220 0.148 A 28 GLN H H 1 8.782 0.005 A 28 GLN HA H 1 4.702 0.005 A 28 GLN HB2 H 1 2.130 0.005 A 28 GLN HB3 H 1 1.911 0.005 A 28 GLN HE21 H 1 6.872 0.005 A 28 GLN HE22 H 1 7.469 0.005 A 28 GLN HG2 H 1 2.391 0.005 A 28 GLN HG3 H 1 2.391 0.005 A 28 GLN CB C 13 25.480 0.098 A 28 GLN CG C 13 31.181 0.098 A 28 GLN N N 15 129.280 0.148 A 28 GLN NE2 N 15 112.261 0.148 A 29 PRO HA H 1 3.457 0.005 A 29 PRO HB2 H 1 1.677 0.005 A 29 PRO HB3 H 1 1.677 0.005 A 29 PRO HD2 H 1 3.668 0.005 A 29 PRO HD3 H 1 3.542 0.005 A 29 PRO HG2 H 1 1.775 0.005 A 29 PRO HG3 H 1 1.909 0.005 A 29 PRO CA C 13 60.712 0.098 A 29 PRO CB C 13 30.122 0.098 A 29 PRO CD C 13 47.739 0.098 A 29 PRO CG C 13 25.073 0.098 A 30 ASN H H 1 8.199 0.005 A 30 ASN HA H 1 4.329 0.005 A 30 ASN HB2 H 1 2.810 0.005 A 30 ASN HB3 H 1 2.810 0.005 A 30 ASN HD21 H 1 6.836 0.005 A 30 ASN HD22 H 1 7.559 0.005 A 30 ASN CA C 13 51.999 0.098 A 30 ASN CB C 13 34.627 0.098 A 30 ASN N N 15 113.396 0.148 A 30 ASN ND2 N 15 113.229 0.148 A 31 ILE H H 1 8.201 0.005 A 31 ILE HA H 1 4.395 0.005 A 31 ILE HB H 1 2.018 0.005 A 31 ILE HD1% H 1 0.889 0.005 A 31 ILE HG12 H 1 1.325 0.005 A 31 ILE HG13 H 1 1.392 0.005 A 31 ILE HG2% H 1 0.906 0.005 A 31 ILE CA C 13 57.434 0.098 A 31 ILE CB C 13 36.859 0.098 A 31 ILE CD1 C 13 12.365 0.098 A 31 ILE CG1 C 13 25.627 0.098 A 31 ILE CG2 C 13 16.298 0.098 A 31 ILE N N 15 115.907 0.148 A 32 GLY H H 1 7.998 0.005 A 32 GLY HA2 H 1 3.626 0.005 A 32 GLY HA3 H 1 4.205 0.005 A 32 GLY CA C 13 41.729 0.098 A 32 GLY N N 15 111.217 0.148 A 33 LEU H H 1 7.820 0.005 A 33 LEU HA H 1 3.880 0.005 A 33 LEU HB2 H 1 1.503 0.005 A 33 LEU HB3 H 1 1.287 0.005 A 33 LEU HD1% H 1 0.733 0.005 A 33 LEU HD2% H 1 0.540 0.005 A 33 LEU HG H 1 1.027 0.005 A 33 LEU CA C 13 53.595 0.098 A 33 LEU CB C 13 40.528 0.098 A 33 LEU CD1 C 13 23.165 0.098 A 33 LEU CD2 C 13 20.658 0.098 A 33 LEU CG C 13 24.306 0.098 A 33 LEU N N 15 120.007 0.148 A 34 LEU H H 1 8.551 0.005 A 34 LEU HA H 1 4.485 0.005 A 34 LEU HB2 H 1 2.268 0.005 A 34 LEU HB3 H 1 1.429 0.005 A 34 LEU HD1% H 1 1.121 0.005 A 34 LEU HD2% H 1 0.877 0.005 A 34 LEU HG H 1 2.273 0.005 A 34 LEU CA C 13 51.078 0.098 A 34 LEU CB C 13 37.447 0.098 A 34 LEU CD1 C 13 23.591 0.098 A 34 LEU CD2 C 13 21.027 0.098 A 34 LEU CG C 13 23.828 0.098 A 34 LEU N N 15 128.106 0.148 A 35 TYR H H 1 6.363 0.005 A 35 TYR HA H 1 4.240 0.005 A 35 TYR HB2 H 1 3.030 0.005 A 35 TYR HB3 H 1 2.763 0.005 A 35 TYR HD1 H 1 7.019 0.005 A 35 TYR HD2 H 1 7.019 0.005 A 35 TYR HE1 H 1 6.667 0.005 A 35 TYR HE2 H 1 6.667 0.005 A 35 TYR CA C 13 53.814 0.098 A 35 TYR CB C 13 36.868 0.098 A 35 TYR CD2 C 13 131.047 0.098 A 35 TYR CE2 C 13 115.512 0.098 A 35 TYR N N 15 121.473 0.148 A 36 ASP H H 1 8.573 0.005 A 36 ASP HA H 1 3.980 0.005 A 36 ASP HB2 H 1 2.517 0.005 A 36 ASP HB3 H 1 2.690 0.005 A 36 ASP CA C 13 52.760 0.098 A 36 ASP CB C 13 37.119 0.098 A 36 ASP N N 15 119.590 0.148 A 37 GLY H H 1 7.903 0.005 A 37 GLY HA2 H 1 4.145 0.005 A 37 GLY HA3 H 1 3.811 0.005 A 37 GLY CA C 13 44.335 0.098 A 37 GLY N N 15 108.636 0.148 A 38 MET H H 1 7.873 0.005 A 38 MET HA H 1 3.631 0.005 A 38 MET HB2 H 1 0.828 0.005 A 38 MET HB3 H 1 1.402 0.005 A 38 MET HE% H 1 1.781 0.005 A 38 MET HG2 H 1 1.002 0.005 A 38 MET HG3 H 1 1.586 0.005 A 38 MET CA C 13 56.101 0.098 A 38 MET CB C 13 29.166 0.098 A 38 MET CE C 13 14.738 0.098 A 38 MET CG C 13 28.691 0.098 A 38 MET N N 15 120.339 0.148 A 39 PHE H H 1 8.504 0.005 A 39 PHE HA H 1 4.908 0.005 A 39 PHE HB2 H 1 3.181 0.005 A 39 PHE HB3 H 1 2.583 0.005 A 39 PHE HD1 H 1 6.989 0.005 A 39 PHE HD2 H 1 6.989 0.005 A 39 PHE HE1 H 1 6.784 0.005 A 39 PHE HE2 H 1 6.784 0.005 A 39 PHE CA C 13 52.898 0.098 A 39 PHE CB C 13 36.647 0.098 A 39 PHE CD1 C 13 129.267 0.098 A 39 PHE CD2 C 13 129.267 0.098 A 39 PHE CE1 C 13 127.742 0.098 A 39 PHE CE2 C 13 127.742 0.098 A 39 PHE CZ C 13 127.775 0.098 A 39 PHE N N 15 115.430 0.148 A 40 SER H H 1 7.264 0.005 A 40 SER HA H 1 4.238 0.005 A 40 SER HB2 H 1 3.764 0.005 A 40 SER HB3 H 1 3.764 0.005 A 40 SER CA C 13 56.954 0.098 A 40 SER CB C 13 60.458 0.098 A 40 SER N N 15 113.647 0.148 A 41 GLY H H 1 9.110 0.005 A 41 GLY HA2 H 1 3.767 0.005 A 41 GLY HA3 H 1 4.175 0.005 A 41 GLY CA C 13 42.941 0.098 A 41 GLY N N 15 115.225 0.148 A 42 CYS H H 1 7.929 0.005 A 42 CYS HA H 1 4.761 0.005 A 42 CYS HB2 H 1 3.276 0.005 A 42 CYS HB3 H 1 2.839 0.005 A 42 CYS CB C 13 23.867 0.098 A 42 CYS N N 15 120.385 0.148 A 43 THR H H 1 7.495 0.005 A 43 THR HA H 1 3.863 0.005 A 43 THR HB H 1 4.245 0.005 A 43 THR HG2% H 1 1.175 0.005 A 43 THR CA C 13 61.663 0.098 A 43 THR CB C 13 66.027 0.098 A 43 THR CG2 C 13 19.994 0.098 A 43 THR N N 15 113.920 0.148 A 44 ALA H H 1 8.551 0.005 A 44 ALA HA H 1 4.477 0.005 A 44 ALA HB% H 1 1.067 0.005 A 44 ALA CA C 13 48.198 0.098 A 44 ALA CB C 13 17.096 0.098 A 44 ALA N N 15 123.479 0.148 A 45 LEU H H 1 6.819 0.005 A 45 LEU HA H 1 3.981 0.005 A 45 LEU HB2 H 1 1.915 0.005 A 45 LEU HB3 H 1 1.051 0.005 A 45 LEU HD1% H 1 -0.074 0.005 A 45 LEU HD2% H 1 0.214 0.005 A 45 LEU HG H 1 0.742 0.005 A 45 LEU CA C 13 53.838 0.098 A 45 LEU CB C 13 40.243 0.098 A 45 LEU CD1 C 13 24.835 0.098 A 45 LEU CD2 C 13 20.511 0.098 A 45 LEU CG C 13 24.411 0.098 A 45 LEU N N 15 121.070 0.148 A 46 GLU H H 1 9.401 0.005 A 46 GLU HA H 1 4.511 0.005 A 46 GLU HB2 H 1 2.104 0.005 A 46 GLU HB3 H 1 2.027 0.005 A 46 GLU HG2 H 1 2.596 0.005 A 46 GLU HG3 H 1 2.234 0.005 A 46 GLU CA C 13 54.357 0.098 A 46 GLU CB C 13 29.883 0.098 A 46 GLU CG C 13 33.780 0.098 A 46 GLU N N 15 128.627 0.148 A 47 LYS H H 1 7.171 0.005 A 47 LYS HA H 1 5.128 0.005 A 47 LYS HB2 H 1 1.556 0.005 A 47 LYS HB3 H 1 1.434 0.005 A 47 LYS HD2 H 1 1.478 0.005 A 47 LYS HD3 H 1 1.560 0.005 A 47 LYS HE3 H 1 2.798 0.005 A 47 LYS HG2 H 1 1.269 0.005 A 47 LYS HG3 H 1 1.127 0.005 A 47 LYS CA C 13 52.808 0.098 A 47 LYS CB C 13 35.325 0.098 A 47 LYS CD C 13 27.133 0.098 A 47 LYS CE C 13 39.685 0.098 A 47 LYS CG C 13 23.024 0.098 A 47 LYS N N 15 116.297 0.148 A 48 LEU H H 1 8.715 0.005 A 48 LEU HA H 1 4.403 0.005 A 48 LEU HB2 H 1 1.426 0.005 A 48 LEU HB3 H 1 0.087 0.005 A 48 LEU HD1% H 1 0.387 0.005 A 48 LEU HD2% H 1 0.063 0.005 A 48 LEU HG H 1 0.840 0.005 A 48 LEU CA C 13 50.489 0.098 A 48 LEU CB C 13 41.991 0.098 A 48 LEU CD1 C 13 23.330 0.098 A 48 LEU CD2 C 13 21.979 0.098 A 48 LEU CG C 13 24.687 0.098 A 48 LEU N N 15 125.474 0.148 A 49 ILE H H 1 9.131 0.005 A 49 ILE HA H 1 4.145 0.005 A 49 ILE HB H 1 1.749 0.005 A 49 ILE HD1% H 1 0.551 0.005 A 49 ILE HG12 H 1 0.627 0.005 A 49 ILE HG13 H 1 1.146 0.005 A 49 ILE HG2% H 1 0.541 0.005 A 49 ILE CA C 13 58.314 0.098 A 49 ILE CB C 13 36.125 0.098 A 49 ILE CD1 C 13 11.599 0.098 A 49 ILE CG1 C 13 25.863 0.098 A 49 ILE CG2 C 13 15.435 0.098 A 49 ILE N N 15 127.246 0.148 A 50 LEU H H 1 8.553 0.005 A 50 LEU HA H 1 4.417 0.005 A 50 LEU HB2 H 1 0.324 0.005 A 50 LEU HB3 H 1 1.116 0.005 A 50 LEU HD1% H 1 -0.507 0.005 A 50 LEU HD2% H 1 -0.164 0.005 A 50 LEU HG H 1 0.740 0.005 A 50 LEU CA C 13 50.414 0.098 A 50 LEU CB C 13 36.390 0.098 A 50 LEU CD1 C 13 21.577 0.098 A 50 LEU CD2 C 13 19.179 0.098 A 50 LEU CG C 13 24.094 0.098 A 50 LEU N N 15 128.685 0.148 A 51 THR H H 1 6.964 0.005 A 51 THR HA H 1 3.935 0.005 A 51 THR HB H 1 4.164 0.005 A 51 THR HG2% H 1 1.008 0.005 A 51 THR CA C 13 60.194 0.098 A 51 THR CB C 13 66.107 0.098 A 51 THR CG2 C 13 20.239 0.098 A 51 THR N N 15 109.751 0.148 A 52 GLY H H 1 8.409 0.005 A 52 GLY HA2 H 1 4.242 0.005 A 52 GLY HA3 H 1 4.120 0.005 A 52 GLY CA C 13 42.432 0.098 A 52 GLY N N 15 108.656 0.148 A 53 GLU H H 1 8.741 0.005 A 53 GLU HA H 1 4.061 0.005 A 53 GLU HB2 H 1 1.923 0.005 A 53 GLU HB3 H 1 2.145 0.005 A 53 GLU HG2 H 1 2.126 0.005 A 53 GLU HG3 H 1 2.318 0.005 A 53 GLU CA C 13 54.296 0.098 A 53 GLU CB C 13 27.425 0.098 A 53 GLU CG C 13 33.540 0.098 A 53 GLU N N 15 119.733 0.148 A 54 ASP H H 1 8.309 0.005 A 54 ASP HA H 1 5.035 0.005 A 54 ASP HB2 H 1 2.868 0.005 A 54 ASP HB3 H 1 2.445 0.005 A 54 ASP CA C 13 46.882 0.098 A 54 ASP CB C 13 39.822 0.098 A 54 ASP N N 15 118.231 0.148 A 55 PRO HA H 1 3.920 0.005 A 55 PRO HB2 H 1 1.854 0.005 A 55 PRO HB3 H 1 1.744 0.005 A 55 PRO HD2 H 1 3.859 0.005 A 55 PRO HD3 H 1 3.629 0.005 A 55 PRO HG2 H 1 1.431 0.005 A 55 PRO HG3 H 1 -0.016 0.005 A 55 PRO CA C 13 61.140 0.098 A 55 PRO CB C 13 30.606 0.098 A 55 PRO CD C 13 48.244 0.098 A 55 PRO CG C 13 23.290 0.098 A 56 SER H H 1 7.998 0.005 A 56 SER HA H 1 4.494 0.005 A 56 SER HB2 H 1 4.006 0.005 A 56 SER HB3 H 1 4.006 0.005 A 56 SER CA C 13 57.752 0.098 A 56 SER CB C 13 60.574 0.098 A 56 SER N N 15 108.966 0.148 A 57 ALA H H 1 7.770 0.005 A 57 ALA HA H 1 4.197 0.005 A 57 ALA HB% H 1 1.196 0.005 A 57 ALA CA C 13 49.452 0.098 A 57 ALA CB C 13 17.341 0.098 A 57 ALA N N 15 123.346 0.148 A 58 TYR H H 1 7.878 0.005 A 58 TYR HA H 1 4.844 0.005 A 58 TYR HB2 H 1 3.130 0.005 A 58 TYR HB3 H 1 2.989 0.005 A 58 TYR HD1 H 1 7.057 0.005 A 58 TYR HD2 H 1 7.057 0.005 A 58 TYR HE1 H 1 6.494 0.005 A 58 TYR HE2 H 1 6.494 0.005 A 58 TYR CA C 13 54.841 0.098 A 58 TYR CB C 13 39.626 0.098 A 58 TYR CD2 C 13 131.203 0.098 A 58 TYR CE2 C 13 115.333 0.098 A 58 TYR N N 15 118.640 0.148 A 59 SER H H 1 9.289 0.005 A 59 SER HA H 1 4.584 0.005 A 59 SER HB2 H 1 3.597 0.005 A 59 SER HB3 H 1 3.477 0.005 A 59 SER CA C 13 54.332 0.098 A 59 SER CB C 13 62.866 0.098 A 59 SER N N 15 118.841 0.148 A 60 ALA H H 1 7.473 0.005 A 60 ALA HA H 1 4.726 0.005 A 60 ALA HB% H 1 1.587 0.005 A 60 ALA CB C 13 20.233 0.098 A 60 ALA N N 15 125.034 0.148 A 61 GLY H H 1 9.368 0.005 A 61 GLY HA2 H 1 4.000 0.005 A 61 GLY HA3 H 1 4.000 0.005 A 61 GLY CA C 13 41.504 0.098 A 61 GLY N N 15 109.267 0.148 A 62 ASP H H 1 9.236 0.005 A 62 ASP HA H 1 4.673 0.005 A 62 ASP HB2 H 1 2.705 0.005 A 62 ASP HB3 H 1 2.569 0.005 A 62 ASP CB C 13 38.468 0.098 A 62 ASP N N 15 121.898 0.148 A 63 GLY H H 1 8.774 0.005 A 63 GLY HA2 H 1 3.218 0.005 A 63 GLY HA3 H 1 4.656 0.005 A 63 GLY CA C 13 43.099 0.098 A 63 GLY N N 15 111.438 0.148 A 64 LEU H H 1 7.483 0.005 A 64 LEU HA H 1 4.169 0.005 A 64 LEU HB2 H 1 1.760 0.005 A 64 LEU HB3 H 1 1.425 0.005 A 64 LEU HD1% H 1 0.629 0.005 A 64 LEU HD2% H 1 1.128 0.005 A 64 LEU HG H 1 1.581 0.005 A 64 LEU CA C 13 56.103 0.098 A 64 LEU CB C 13 40.431 0.098 A 64 LEU CD1 C 13 23.858 0.098 A 64 LEU CD2 C 13 21.334 0.098 A 64 LEU CG C 13 24.897 0.098 A 64 LEU N N 15 125.900 0.148 A 65 ARG H H 1 8.071 0.005 A 65 ARG HA H 1 4.057 0.005 A 65 ARG HB2 H 1 1.087 0.005 A 65 ARG HB3 H 1 1.435 0.005 A 65 ARG HD2 H 1 2.275 0.005 A 65 ARG HD3 H 1 2.275 0.005 A 65 ARG HG2 H 1 0.259 0.005 A 65 ARG HG3 H 1 0.855 0.005 A 65 ARG CA C 13 51.787 0.098 A 65 ARG CB C 13 26.474 0.098 A 65 ARG CD C 13 39.962 0.098 A 65 ARG CG C 13 27.126 0.098 A 65 ARG N N 15 111.696 0.148 A 66 ASP H H 1 7.293 0.005 A 66 ASP HA H 1 4.121 0.005 A 66 ASP HB2 H 1 2.496 0.005 A 66 ASP HB3 H 1 2.496 0.005 A 66 ASP CA C 13 53.462 0.098 A 66 ASP CB C 13 37.557 0.098 A 66 ASP N N 15 120.559 0.148 A 67 GLY H H 1 8.695 0.005 A 67 GLY HA2 H 1 3.699 0.005 A 67 GLY HA3 H 1 4.091 0.005 A 67 GLY CA C 13 43.985 0.098 A 67 GLY N N 15 110.131 0.148 A 68 ALA H H 1 8.058 0.005 A 68 ALA HA H 1 4.385 0.005 A 68 ALA HB% H 1 1.464 0.005 A 68 ALA CA C 13 49.065 0.098 A 68 ALA CB C 13 19.402 0.098 A 68 ALA N N 15 123.462 0.148 A 69 ASP H H 1 8.721 0.005 A 69 ASP HA H 1 4.524 0.005 A 69 ASP HB2 H 1 2.220 0.005 A 69 ASP HB3 H 1 2.617 0.005 A 69 ASP CA C 13 51.240 0.098 A 69 ASP CB C 13 39.076 0.098 A 69 ASP N N 15 116.343 0.148 A 70 PHE H H 1 5.865 0.005 A 70 PHE HA H 1 4.648 0.005 A 70 PHE HB2 H 1 2.563 0.005 A 70 PHE HB3 H 1 2.518 0.005 A 70 PHE HD1 H 1 6.713 0.005 A 70 PHE HD2 H 1 6.713 0.005 A 70 PHE HE1 H 1 6.581 0.005 A 70 PHE HE2 H 1 6.581 0.005 A 70 PHE HZ H 1 6.467 0.005 A 70 PHE CA C 13 52.114 0.098 A 70 PHE CB C 13 38.375 0.098 A 70 PHE CD1 C 13 130.054 0.098 A 70 PHE CD2 C 13 130.054 0.098 A 70 PHE CE1 C 13 127.552 0.098 A 70 PHE CZ C 13 125.894 0.098 A 70 PHE N N 15 113.658 0.148 A 71 LEU H H 1 7.964 0.005 A 71 LEU HA H 1 4.915 0.005 A 71 LEU HB2 H 1 1.639 0.005 A 71 LEU HB3 H 1 1.429 0.005 A 71 LEU HD1% H 1 0.847 0.005 A 71 LEU HD2% H 1 1.054 0.005 A 71 LEU HG H 1 1.887 0.005 A 71 LEU CA C 13 50.797 0.098 A 71 LEU CB C 13 41.482 0.098 A 71 LEU CD1 C 13 23.022 0.098 A 71 LEU CD2 C 13 20.573 0.098 A 71 LEU CG C 13 24.507 0.098 A 71 LEU N N 15 119.766 0.148 A 72 ILE H H 1 9.073 0.005 A 72 ILE HA H 1 4.728 0.005 A 72 ILE HB H 1 1.619 0.005 A 72 ILE HD1% H 1 0.867 0.005 A 72 ILE HG12 H 1 0.871 0.005 A 72 ILE HG13 H 1 1.609 0.005 A 72 ILE HG2% H 1 0.358 0.005 A 72 ILE CB C 13 36.921 0.098 A 72 ILE CD1 C 13 12.792 0.098 A 72 ILE CG1 C 13 26.310 0.098 A 72 ILE CG2 C 13 15.089 0.098 A 72 ILE N N 15 123.675 0.148 A 73 CYS H H 1 9.060 0.005 A 73 CYS HA H 1 5.534 0.005 A 73 CYS HB2 H 1 2.359 0.005 A 73 CYS HB3 H 1 2.434 0.005 A 73 CYS CA C 13 54.056 0.098 A 73 CYS CB C 13 27.753 0.098 A 73 CYS N N 15 125.409 0.148 A 74 VAL H H 1 7.938 0.005 A 74 VAL HA H 1 4.951 0.005 A 74 VAL HB H 1 1.433 0.005 A 74 VAL HG1% H 1 -0.492 0.005 A 74 VAL HG2% H 1 0.190 0.005 A 74 VAL CA C 13 54.229 0.098 A 74 VAL CB C 13 29.675 0.098 A 74 VAL CG1 C 13 17.274 0.098 A 74 VAL CG2 C 13 14.841 0.098 A 74 VAL N N 15 114.408 0.148 A 75 PRO HA H 1 4.283 0.005 A 75 PRO HB2 H 1 2.419 0.005 A 75 PRO HB3 H 1 1.571 0.005 A 75 PRO HD2 H 1 4.092 0.005 A 75 PRO HD3 H 1 3.043 0.005 A 75 PRO HG2 H 1 1.644 0.005 A 75 PRO HG3 H 1 1.743 0.005 A 75 PRO CA C 13 60.889 0.098 A 75 PRO CB C 13 29.499 0.098 A 75 PRO CD C 13 47.950 0.098 A 75 PRO CG C 13 26.479 0.098 A 76 GLU H H 1 9.130 0.005 A 76 GLU HA H 1 3.664 0.005 A 76 GLU HB2 H 1 2.144 0.005 A 76 GLU HB3 H 1 1.995 0.005 A 76 GLU HG2 H 1 2.211 0.005 A 76 GLU HG3 H 1 2.184 0.005 A 76 GLU CA C 13 58.112 0.098 A 76 GLU CB C 13 26.894 0.098 A 76 GLU CG C 13 33.093 0.098 A 76 GLU N N 15 126.159 0.148 A 77 GLU H H 1 9.350 0.005 A 77 GLU HA H 1 4.100 0.005 A 77 GLU HB2 H 1 2.040 0.005 A 77 GLU HB3 H 1 1.977 0.005 A 77 GLU HG2 H 1 2.292 0.005 A 77 GLU HG3 H 1 2.292 0.005 A 77 GLU CA C 13 55.734 0.098 A 77 GLU CB C 13 26.315 0.098 A 77 GLU CG C 13 33.476 0.098 A 77 GLU N N 15 117.145 0.148 A 78 ALA H H 1 8.044 0.005 A 78 ALA HA H 1 4.699 0.005 A 78 ALA HB% H 1 1.602 0.005 A 78 ALA CB C 13 18.962 0.098 A 78 ALA N N 15 120.398 0.148 A 79 LEU H H 1 7.331 0.005 A 79 LEU HA H 1 3.710 0.005 A 79 LEU HB2 H 1 1.878 0.005 A 79 LEU HB3 H 1 1.345 0.005 A 79 LEU HD1% H 1 0.815 0.005 A 79 LEU HD2% H 1 0.552 0.005 A 79 LEU HG H 1 1.340 0.005 A 79 LEU CA C 13 56.837 0.098 A 79 LEU CB C 13 40.952 0.098 A 79 LEU CD1 C 13 23.354 0.098 A 79 LEU CD2 C 13 21.699 0.098 A 79 LEU CG C 13 24.104 0.098 A 79 LEU N N 15 122.497 0.148 A 80 ASP H H 1 8.305 0.005 A 80 ASP HA H 1 4.357 0.005 A 80 ASP HB2 H 1 2.525 0.005 A 80 ASP HB3 H 1 2.476 0.005 A 80 ASP CA C 13 54.751 0.098 A 80 ASP CB C 13 38.534 0.098 A 80 ASP N N 15 116.432 0.148 A 81 ARG H H 1 7.638 0.005 A 81 ARG HA H 1 3.894 0.005 A 81 ARG HB2 H 1 1.949 0.005 A 81 ARG HB3 H 1 1.825 0.005 A 81 ARG HD2 H 1 3.347 0.005 A 81 ARG HD3 H 1 3.276 0.005 A 81 ARG HG2 H 1 1.509 0.005 A 81 ARG HG3 H 1 1.714 0.005 A 81 ARG CA C 13 56.473 0.098 A 81 ARG CB C 13 27.481 0.098 A 81 ARG CD C 13 41.334 0.098 A 81 ARG CG C 13 24.969 0.098 A 81 ARG N N 15 119.433 0.148 A 82 TYR H H 1 8.198 0.005 A 82 TYR HA H 1 3.830 0.005 A 82 TYR HB2 H 1 2.966 0.005 A 82 TYR HB3 H 1 2.676 0.005 A 82 TYR CA C 13 61.170 0.098 A 82 TYR CB C 13 37.031 0.098 A 82 TYR N N 15 116.397 0.148 A 83 ARG H H 1 8.151 0.005 A 83 ARG HA H 1 3.728 0.005 A 83 ARG HB2 H 1 1.913 0.005 A 83 ARG HB3 H 1 1.811 0.005 A 83 ARG HD2 H 1 3.093 0.005 A 83 ARG HD3 H 1 3.093 0.005 A 83 ARG HG2 H 1 2.020 0.005 A 83 ARG HG3 H 1 1.441 0.005 A 83 ARG CA C 13 58.115 0.098 A 83 ARG CB C 13 28.107 0.098 A 83 ARG CD C 13 41.727 0.098 A 83 ARG CG C 13 26.575 0.098 A 83 ARG N N 15 113.114 0.148 A 84 ARG H H 1 7.571 0.005 A 84 ARG HA H 1 4.386 0.005 A 84 ARG HB2 H 1 1.658 0.005 A 84 ARG HB3 H 1 1.901 0.005 A 84 ARG HD2 H 1 3.038 0.005 A 84 ARG HD3 H 1 3.071 0.005 A 84 ARG HG2 H 1 1.555 0.005 A 84 ARG HG3 H 1 1.628 0.005 A 84 ARG CA C 13 52.335 0.098 A 84 ARG CB C 13 27.987 0.098 A 84 ARG CD C 13 40.968 0.098 A 84 ARG CG C 13 25.176 0.098 A 84 ARG N N 15 111.791 0.148 A 85 ASP H H 1 7.200 0.005 A 85 ASP HA H 1 4.373 0.005 A 85 ASP HB2 H 1 3.301 0.005 A 85 ASP HB3 H 1 2.904 0.005 A 85 ASP CA C 13 52.852 0.098 A 85 ASP CB C 13 42.482 0.098 A 85 ASP N N 15 123.157 0.148 A 86 TYR H H 1 8.440 0.005 A 86 TYR HA H 1 4.092 0.005 A 86 TYR HB2 H 1 3.138 0.005 A 86 TYR HB3 H 1 2.949 0.005 A 86 TYR HD1 H 1 7.094 0.005 A 86 TYR HD2 H 1 7.094 0.005 A 86 TYR HE1 H 1 6.835 0.005 A 86 TYR HE2 H 1 6.835 0.005 A 86 TYR CA C 13 58.674 0.098 A 86 TYR CB C 13 35.801 0.098 A 86 TYR CD1 C 13 130.427 0.098 A 86 TYR CE1 C 13 115.616 0.098 A 86 TYR N N 15 123.389 0.148 A 87 PHE H H 1 7.931 0.005 A 87 PHE HA H 1 4.378 0.005 A 87 PHE HB2 H 1 2.890 0.005 A 87 PHE HB3 H 1 2.720 0.005 A 87 PHE HD1 H 1 6.090 0.005 A 87 PHE HD2 H 1 6.090 0.005 A 87 PHE HE1 H 1 7.156 0.005 A 87 PHE HE2 H 1 7.156 0.005 A 87 PHE CA C 13 57.433 0.098 A 87 PHE CB C 13 37.442 0.098 A 87 PHE CD2 C 13 128.471 0.098 A 87 PHE CE2 C 13 128.106 0.098 A 87 PHE N N 15 117.092 0.148 A 88 TRP H H 1 9.757 0.005 A 88 TRP HA H 1 3.798 0.005 A 88 TRP HB2 H 1 3.597 0.005 A 88 TRP HB3 H 1 3.597 0.005 A 88 TRP HD1 H 1 7.508 0.005 A 88 TRP HE1 H 1 9.859 0.005 A 88 TRP HE3 H 1 7.614 0.005 A 88 TRP HH2 H 1 6.771 0.005 A 88 TRP HZ2 H 1 7.077 0.005 A 88 TRP HZ3 H 1 6.482 0.005 A 88 TRP CA C 13 59.544 0.098 A 88 TRP CB C 13 26.293 0.098 A 88 TRP CD1 C 13 125.538 0.098 A 88 TRP CE3 C 13 117.050 0.098 A 88 TRP CH2 C 13 120.967 0.098 A 88 TRP CZ2 C 13 111.248 0.098 A 88 TRP CZ3 C 13 118.663 0.098 A 88 TRP N N 15 121.396 0.148 A 88 TRP NE1 N 15 128.003 0.148 A 89 GLN H H 1 8.490 0.005 A 89 GLN HA H 1 4.393 0.005 A 89 GLN HB2 H 1 1.912 0.005 A 89 GLN HB3 H 1 2.292 0.005 A 89 GLN HE21 H 1 6.679 0.005 A 89 GLN HE22 H 1 7.172 0.005 A 89 GLN HG2 H 1 2.117 0.005 A 89 GLN HG3 H 1 1.993 0.005 A 89 GLN CA C 13 55.882 0.098 A 89 GLN CB C 13 30.198 0.098 A 89 GLN CG C 13 25.077 0.098 A 89 GLN N N 15 117.760 0.148 A 89 GLN NE2 N 15 111.323 0.148 A 90 THR H H 1 7.932 0.005 A 90 THR HA H 1 3.686 0.005 A 90 THR HB H 1 3.299 0.005 A 90 THR HG2% H 1 0.489 0.005 A 90 THR CA C 13 62.770 0.098 A 90 THR CB C 13 66.664 0.098 A 90 THR CG2 C 13 18.372 0.098 A 90 THR N N 15 118.285 0.148 A 91 TYR H H 1 8.009 0.005 A 91 TYR HA H 1 4.975 0.005 A 91 TYR HB2 H 1 2.842 0.005 A 91 TYR HB3 H 1 3.879 0.005 A 91 TYR HD1 H 1 6.791 0.005 A 91 TYR HD2 H 1 6.791 0.005 A 91 TYR HE1 H 1 6.590 0.005 A 91 TYR HE2 H 1 6.590 0.005 A 91 TYR CA C 13 55.511 0.098 A 91 TYR CB C 13 37.126 0.098 A 91 TYR CD2 C 13 130.000 0.098 A 91 TYR CE2 C 13 115.337 0.098 A 91 TYR N N 15 118.448 0.148 A 92 ALA H H 1 7.665 0.005 A 92 ALA HA H 1 3.843 0.005 A 92 ALA HB% H 1 1.589 0.005 A 92 ALA CA C 13 54.108 0.098 A 92 ALA CB C 13 16.505 0.098 A 92 ALA N N 15 122.351 0.148 A 93 ALA H H 1 8.275 0.005 A 93 ALA HA H 1 3.702 0.005 A 93 ALA HB% H 1 0.135 0.005 A 93 ALA CA C 13 51.371 0.098 A 93 ALA CB C 13 14.292 0.098 A 93 ALA N N 15 117.548 0.148 A 94 TRP H H 1 8.203 0.005 A 94 TRP HA H 1 4.669 0.005 A 94 TRP HB2 H 1 3.749 0.005 A 94 TRP HB3 H 1 2.954 0.005 A 94 TRP HD1 H 1 7.029 0.005 A 94 TRP HE1 H 1 9.966 0.005 A 94 TRP HE3 H 1 7.542 0.005 A 94 TRP HH2 H 1 7.124 0.005 A 94 TRP HZ2 H 1 7.349 0.005 A 94 TRP HZ3 H 1 7.128 0.005 A 94 TRP CB C 13 26.912 0.098 A 94 TRP CD1 C 13 123.531 0.098 A 94 TRP CE3 C 13 116.771 0.098 A 94 TRP CH2 C 13 121.566 0.098 A 94 TRP CZ2 C 13 112.035 0.098 A 94 TRP CZ3 C 13 118.881 0.098 A 94 TRP N N 15 115.303 0.148 A 94 TRP NE1 N 15 129.360 0.148 A 95 ILE H H 1 7.153 0.005 A 95 ILE HA H 1 5.325 0.005 A 95 ILE HB H 1 1.500 0.005 A 95 ILE HD1% H 1 0.892 0.005 A 95 ILE HG12 H 1 2.115 0.005 A 95 ILE HG13 H 1 0.676 0.005 A 95 ILE HG2% H 1 0.612 0.005 A 95 ILE CA C 13 57.930 0.098 A 95 ILE CB C 13 36.508 0.098 A 95 ILE CD1 C 13 11.932 0.098 A 95 ILE CG1 C 13 25.699 0.098 A 95 ILE CG2 C 13 16.037 0.098 A 95 ILE N N 15 120.680 0.148 A 96 GLN H H 1 9.189 0.005 A 96 GLN HA H 1 4.691 0.005 A 96 GLN HB2 H 1 1.620 0.005 A 96 GLN HB3 H 1 2.149 0.005 A 96 GLN HE21 H 1 7.089 0.005 A 96 GLN HE22 H 1 6.726 0.005 A 96 GLN HG2 H 1 2.153 0.005 A 96 GLN HG3 H 1 2.293 0.005 A 96 GLN CB C 13 28.885 0.098 A 96 GLN CG C 13 30.562 0.098 A 96 GLN N N 15 128.223 0.148 A 96 GLN NE2 N 15 110.954 0.148 A 97 PRO HA H 1 4.833 0.005 A 97 PRO HB2 H 1 1.963 0.005 A 97 PRO HB3 H 1 1.941 0.005 A 97 PRO HD2 H 1 3.819 0.005 A 97 PRO HD3 H 1 3.439 0.005 A 97 PRO HG2 H 1 2.158 0.005 A 97 PRO HG3 H 1 2.058 0.005 A 97 PRO CA C 13 59.122 0.098 A 97 PRO CB C 13 29.515 0.098 A 97 PRO CD C 13 46.907 0.098 A 97 PRO CG C 13 24.596 0.098 A 98 MET H H 1 8.551 0.005 A 98 MET HA H 1 4.116 0.005 A 98 MET HB2 H 1 1.761 0.005 A 98 MET HB3 H 1 1.642 0.005 A 98 MET HE% H 1 1.834 0.005 A 98 MET HG2 H 1 2.165 0.005 A 98 MET HG3 H 1 2.304 0.005 A 98 MET CA C 13 52.944 0.098 A 98 MET CB C 13 30.981 0.098 A 98 MET CE C 13 14.932 0.098 A 98 MET CG C 13 29.313 0.098 A 98 MET N N 15 120.815 0.148 A 99 GLU H H 1 8.532 0.005 A 99 GLU HA H 1 4.220 0.005 A 99 GLU HB2 H 1 1.952 0.005 A 99 GLU HB3 H 1 1.838 0.005 A 99 GLU HG2 H 1 2.198 0.005 A 99 GLU HG3 H 1 2.198 0.005 A 99 GLU CA C 13 53.952 0.098 A 99 GLU CB C 13 27.803 0.098 A 99 GLU CG C 13 33.675 0.098 A 99 GLU N N 15 124.677 0.148 A 100 GLN H H 1 8.019 0.005 A 100 GLN HA H 1 4.059 0.005 A 100 GLN HB2 H 1 2.010 0.005 A 100 GLN HB3 H 1 1.952 0.005 A 100 GLN HE21 H 1 6.779 0.005 A 100 GLN HE22 H 1 7.463 0.005 A 100 GLN HG2 H 1 2.204 0.005 A 100 GLN HG3 H 1 2.204 0.005 A 100 GLN CA C 13 54.668 0.098 A 100 GLN CB C 13 28.064 0.098 A 100 GLN CG C 13 31.864 0.098 A 100 GLN N N 15 126.610 0.148 A 100 GLN NE2 N 15 112.220 0.148 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 71 LEU HD2% A 94 TRP HE1 1.0 . 5.50 2 2 A 94 TRP HE1 A 93 ALA HB% 1.0 . 5.31 3 3 A 28 GLN H A 58 TYR HE% 1.0 . 5.50 4 4 A 28 GLN H A 28 GLN HB2 1.0 . 3.82 5 5 A 50 LEU H A 51 THR H 1.0 . 5.30 6 6 A 50 LEU H A 50 LEU HB3 1.0 . 3.67 7 7 A 50 LEU H A 50 LEU HB2 1.0 . 4.09 8 8 A 24 GLU HA A 46 GLU H 1.0 . 4.64 9 9 A 46 GLU H A 46 GLU HB3 1.0 . 4.10 10 10 A 46 GLU H A 23 ARG HG2 1.0 . 5.50 11 11 A 46 GLU H A 45 LEU HB3 1.0 . 4.69 12 12 A 50 LEU H A 52 GLY H 1.0 . 5.26 13 13 A 96 GLN H A 97 PRO HD2 1.0 . 5.50 14 14 A 96 GLN H A 73 CYS H 1.0 . 5.02 15 15 A 96 GLN H A 97 PRO HD3 1.0 . 5.50 16 16 A 96 GLN H A 96 GLN HG2 1.0 . 3.91 17 17 A 96 GLN H A 74 VAL HG2% 1.0 . 5.50 18 18 A 96 GLN H A 74 VAL H 1.0 . 4.48 19 19 A 96 GLN H A 71 LEU HD1% 1.0 . 5.50 20 20 A 34 LEU H A 59 SER H 1.0 . 5.15 21 21 A 34 LEU H A 60 ALA HA 1.0 . 3.83 22 22 A 34 LEU H A 34 LEU HB2 1.0 . 3.16 23 23 A 34 LEU H A 60 ALA HB% 1.0 . 4.78 24 24 A 34 LEU H A 34 LEU HB3 1.0 . 4.00 25 25 A 55 PRO HA A 88 TRP HE1 1.0 . 5.28 26 26 A 88 TRP HE1 A 58 TYR H 1.0 . 4.65 27 27 A 88 TRP HE1 A 87 PHE HD% 1.0 . 4.65 28 28 A 88 TRP HE1 A 58 TYR HB2 1.0 . 4.11 29 29 A 88 TRP HE1 A 58 TYR HB3 1.0 . 3.75 30 30 A 88 TRP HE1 A 55 PRO HB3 1.0 . 4.91 31 31 A 88 TRP HE1 A 50 LEU HD1% 1.0 . 5.50 32 32 A 88 TRP HE1 A 59 SER HA 1.0 . 5.30 33 33 A 50 LEU H A 49 ILE H 1.0 . 5.32 34 34 A 49 ILE H A 48 LEU H 1.0 . 5.41 35 35 A 49 ILE H A 25 ILE H 1.0 . 4.65 36 36 A 49 ILE H A 26 THR HA 1.0 . 3.77 37 37 A 49 ILE H A 26 THR HG2% 1.0 . 5.35 38 38 A 99 GLU H A 100 GLN H 1.0 . 4.33 39 39 A 100 GLN H A 99 GLU HG2 1.0 . 4.02 40 39 A 100 GLN H A 99 GLU HG3 1.0 . 4.02 41 40 A 100 GLN H A 99 GLU HB2 1.0 . 3.86 42 41 A 100 GLN H A 99 GLU HB3 1.0 . 3.54 43 42 A 76 GLU H A 97 PRO HA 1.0 . 5.50 44 43 A 76 GLU H A 98 MET H 1.0 . 4.26 45 44 A 76 GLU H A 78 ALA H 1.0 . 4.94 46 45 A 76 GLU H A 77 GLU HA 1.0 . 5.46 47 46 A 76 GLU H A 76 GLU HB2 1.0 . 3.19 48 47 A 76 GLU H A 76 GLU HB3 1.0 . 3.69 49 48 A 76 GLU H A 98 MET HB2 1.0 . 4.57 50 49 A 64 LEU H A 64 LEU HB2 1.0 . 3.44 51 50 A 64 LEU H A 91 TYR HE% 1.0 . 4.56 52 51 A 60 ALA HB% A 64 LEU H 1.0 . 4.49 53 52 A 64 LEU H A 64 LEU HB3 1.0 . 3.41 54 53 A 48 LEU H A 47 LYS H 1.0 . 4.82 55 54 A 48 LEU H A 70 PHE HD% 1.0 . 4.38 56 55 A 48 LEU H A 72 ILE HA 1.0 . 4.00 57 56 A 48 LEU H A 47 LYS HD3 1.0 . 4.15 58 57 A 48 LEU H A 48 LEU HB2 1.0 . 3.53 59 58 A 48 LEU H A 47 LYS HG3 1.0 . 5.29 60 59 A 48 LEU H A 48 LEU HG 1.0 . 4.88 61 60 A 48 LEU H A 48 LEU HB3 1.0 . 3.81 62 61 A 73 CYS H A 48 LEU H 1.0 . 4.68 63 62 A 50 LEU H A 73 CYS H 1.0 . 4.43 64 63 A 73 CYS H A 72 ILE HA 1.0 . 3.13 65 64 A 73 CYS H A 73 CYS HB3 1.0 . 3.64 66 65 A 73 CYS H A 48 LEU HB2 1.0 . 4.58 67 66 A 73 CYS H A 72 ILE HG12 1.0 . 5.10 68 67 A 34 LEU H A 60 ALA H 1.0 . 5.08 69 68 A 34 LEU HB2 A 60 ALA H 1.0 . 5.42 70 69 A 59 SER H A 60 ALA H 1.0 . 4.69 71 70 A 99 GLU H A 98 MET HG3 1.0 . 4.70 72 71 A 99 GLU H A 99 GLU HG2 1.0 . 3.71 73 71 A 99 GLU H A 99 GLU HG3 1.0 . 3.71 74 72 A 99 GLU H A 99 GLU HB2 1.0 . 3.65 75 73 A 99 GLU H A 99 GLU HB3 1.0 . 3.28 76 74 A 99 GLU H A 49 ILE HG2% 1.0 . 5.50 77 75 A 9 VAL H A 25 ILE HG2% 1.0 . 5.37 78 76 A 9 VAL H A 10 GLY H 1.0 . 5.40 79 77 A 26 THR H A 27 VAL H 1.0 . 5.06 80 78 A 28 GLN H A 27 VAL H 1.0 . 5.00 81 79 A 27 VAL H A 49 ILE HB 1.0 . 4.24 82 80 A 27 VAL H A 9 VAL HG1% 1.0 . 5.50 83 81 A 49 ILE HG2% A 27 VAL H 1.0 . 5.17 84 82 A 51 THR H A 27 VAL H 1.0 . 4.90 85 83 A 72 ILE H A 72 ILE HB 1.0 . 3.17 86 84 A 72 ILE H A 72 ILE HG2% 1.0 . 4.98 87 85 A 72 ILE H A 95 ILE H 1.0 . 5.50 88 86 A 12 ASP H A 13 LYS H 1.0 . 5.04 89 87 A 13 LYS H A 12 ASP HA 1.0 . 3.29 90 88 A 13 LYS H A 12 ASP HB2 1.0 . 5.49 91 89 A 13 LYS H A 12 ASP HB3 1.0 . 4.77 92 90 A 13 LYS H A 13 LYS HB2 1.0 . 3.60 93 91 A 13 LYS H A 13 LYS HG3 1.0 . 4.01 94 92 A 66 ASP H A 68 ALA H 1.0 . 5.49 95 93 A 68 ALA H A 66 ASP HB2 1.0 . 5.28 96 93 A 68 ALA H A 66 ASP HB3 1.0 . 5.28 97 94 A 20 THR HA A 44 ALA H 1.0 . 3.82 98 95 A 44 ALA H A 42 CYS HB2 1.0 . 5.37 99 96 A 86 TYR H A 88 TRP H 1.0 . 5.34 100 97 A 86 TYR H A 86 TYR HD% 1.0 . 4.30 101 98 A 86 TYR H A 85 ASP HB2 1.0 . 4.51 102 99 A 68 ALA H A 67 GLY H 1.0 . 3.27 103 100 A 68 ALA H A 69 ASP HA 1.0 . 5.50 104 101 A 68 ALA H A 40 SER HA 1.0 . 4.79 105 102 A 54 ASP HA A 57 ALA H 1.0 . 5.50 106 103 A 57 ALA H A 58 TYR HD% 1.0 . 4.54 107 104 A 57 ALA H A 54 ASP HB3 1.0 . 5.50 108 105 A 85 ASP H A 89 GLN H 1.0 . 4.29 109 106 A 85 ASP H A 83 ARG H 1.0 . 4.66 110 107 A 85 ASP H A 84 ARG H 1.0 . 3.23 111 108 A 85 ASP H A 84 ARG HA 1.0 . 3.34 112 109 A 85 ASP H A 88 TRP HB2 1.0 . 4.31 113 109 A 85 ASP H A 88 TRP HB3 1.0 . 4.31 114 110 A 85 ASP HB2 A 85 ASP H 1.0 . 3.33 115 111 A 85 ASP H A 85 ASP HB3 1.0 . 3.37 116 112 A 26 THR H A 26 THR HB 1.0 . 3.43 117 113 A 26 THR H A 49 ILE HD1% 1.0 . 5.50 118 114 A 26 THR H A 9 VAL HG1% 1.0 . 5.50 119 115 A 78 ALA H A 79 LEU H 1.0 . 3.03 120 116 A 79 LEU H A 81 ARG H 1.0 . 5.50 121 117 A 79 LEU H A 79 LEU HB2 1.0 . 3.27 122 118 A 79 LEU H A 79 LEU HB3 1.0 . 3.10 123 119 A 92 ALA H A 93 ALA H 1.0 . 3.65 124 120 A 92 ALA H A 91 TYR H 1.0 . 3.11 125 121 A 92 ALA H A 94 TRP HE3 1.0 . 4.65 126 122 A 92 ALA H A 91 TYR HD% 1.0 . 5.50 127 123 A 92 ALA H A 90 THR HA 1.0 . 4.21 128 124 A 92 ALA H A 91 TYR HB2 1.0 . 4.90 129 125 A 92 ALA H A 95 ILE HG12 1.0 . 5.28 130 126 A 92 ALA H A 95 ILE HD1% 1.0 . 4.92 131 127 A 92 ALA H A 90 THR HG2% 1.0 . 5.50 132 128 A 24 GLU HA A 23 ARG H 1.0 . 5.50 133 129 A 3 HIS HB2 A 4 GLU H 1.0 . 5.04 134 130 A 4 GLU H A 3 HIS HB3 1.0 . 5.12 135 131 A 4 GLU H A 4 GLU HB2 1.0 . 3.72 136 132 A 23 ARG H A 23 ARG HD3 1.0 . 5.50 137 133 A 23 ARG H A 22 ILE H 1.0 . 5.11 138 134 A 23 ARG H A 24 GLU HG2 1.0 . 5.46 139 134 A 23 ARG H A 24 GLU HG3 1.0 . 5.46 140 135 A 23 ARG H A 23 ARG HB3 1.0 . 3.39 141 136 A 23 ARG H A 22 ILE HG13 1.0 . 4.42 142 137 A 23 ARG H A 22 ILE HG2% 1.0 . 4.87 143 138 A 61 GLY H A 62 ASP H 1.0 . 4.23 144 139 A 64 LEU H A 62 ASP H 1.0 . 5.48 145 140 A 62 ASP H A 61 GLY HA2 1.0 . 3.13 146 140 A 62 ASP H A 61 GLY HA3 1.0 . 3.13 147 141 A 62 ASP H A 63 GLY HA2 1.0 . 4.89 148 142 A 62 ASP H A 62 ASP HB3 1.0 . 3.35 149 143 A 34 LEU H A 35 TYR H 1.0 . 4.85 150 144 A 34 LEU HB2 A 35 TYR H 1.0 . 5.04 151 145 A 35 TYR H A 38 MET HE% 1.0 . 5.50 152 146 A 35 TYR H A 34 LEU HD2% 1.0 . 5.44 153 147 A 88 TRP H A 89 GLN H 1.0 . 3.78 154 148 A 88 TRP H A 87 PHE H 1.0 . 3.25 155 149 A 88 TRP H A 88 TRP HD1 1.0 . 4.12 156 150 A 88 TRP H A 85 ASP H 1.0 . 5.38 157 151 A 87 PHE HD% A 88 TRP H 1.0 . 4.27 158 152 A 88 TRP H A 88 TRP HB2 1.0 . 3.45 159 152 A 88 TRP H A 88 TRP HB3 1.0 . 3.45 160 153 A 88 TRP H A 85 ASP HB3 1.0 . 3.40 161 154 A 88 TRP H A 87 PHE HB3 1.0 . 3.65 162 155 A 4 GLU HA A 6 GLU H 1.0 . 5.21 163 156 A 6 GLU H A 5 GLY H 1.0 . 3.92 164 157 A 6 GLU H A 5 GLY HA3 1.0 . 3.50 165 158 A 6 GLU H A 6 GLU HB2 1.0 . 3.32 166 159 A 25 ILE H A 47 LYS H 1.0 . 4.91 167 160 A 25 ILE H A 47 LYS HB3 1.0 . 5.50 168 161 A 25 ILE H A 26 THR H 1.0 . 4.88 169 162 A 25 ILE H A 24 GLU HB2 1.0 . 4.35 170 163 A 25 ILE H A 49 ILE HG13 1.0 . 5.50 171 164 A 46 GLU H A 45 LEU H 1.0 . 4.93 172 165 A 44 ALA H A 45 LEU H 1.0 . 3.06 173 166 A 45 LEU H A 43 THR H 1.0 . 4.83 174 167 A 45 LEU H A 23 ARG HA 1.0 . 5.50 175 168 A 45 LEU H A 45 LEU HB2 1.0 . 3.35 176 169 A 45 LEU HB3 A 45 LEU H 1.0 . 3.26 177 170 A 45 LEU H A 45 LEU HG 1.0 . 5.34 178 171 A 45 LEU H A 45 LEU HD2% 1.0 . 5.09 179 172 A 45 LEU H A 45 LEU HD1% 1.0 . 4.89 180 173 A 74 VAL H A 98 MET H 1.0 . 3.90 181 174 A 98 MET H A 73 CYS HA 1.0 . 5.08 182 175 A 98 MET H A 76 GLU HA 1.0 . 4.61 183 176 A 98 MET H A 98 MET HG2 1.0 . 3.89 184 177 A 98 MET H A 97 PRO HB2 1.0 . 3.65 185 178 A 98 MET H A 98 MET HB3 1.0 . 3.81 186 179 A 98 MET H A 79 LEU HD2% 1.0 . 5.20 187 180 A 16 PHE H A 17 ALA H 1.0 . 3.16 188 181 A 17 ALA H A 16 PHE HB2 1.0 . 3.96 189 182 A 96 GLN H A 95 ILE H 1.0 . 4.94 190 183 A 12 ASP H A 10 GLY HA3 1.0 . 5.50 191 184 A 6 GLU H A 8 VAL H 1.0 . 5.31 192 185 A 66 ASP H A 65 ARG H 1.0 . 3.28 193 186 A 66 ASP H A 37 GLY H 1.0 . 4.26 194 187 A 66 ASP H A 66 ASP HB2 1.0 . 3.01 195 187 A 66 ASP H A 66 ASP HB3 1.0 . 3.01 196 188 A 10 GLY H A 11 MET H 1.0 . 4.36 197 189 A 10 GLY HA3 A 11 MET H 1.0 . 3.50 198 190 A 11 MET H A 10 GLY HA2 1.0 . 3.24 199 191 A 11 MET H A 11 MET HG3 1.0 . 4.25 200 192 A 11 MET H A 11 MET HB2 1.0 . 3.21 201 192 A 11 MET H A 11 MET HB3 1.0 . 3.21 202 193 A 11 MET H A 31 ILE HD1% 1.0 . 5.50 203 194 A 12 ASP H A 10 GLY HA2 1.0 . 5.37 204 195 A 10 GLY H A 12 ASP H 1.0 . 4.46 205 196 A 12 ASP H A 12 ASP HB2 1.0 . 3.43 206 197 A 12 ASP H A 12 ASP HB3 1.0 . 3.40 207 198 A 12 ASP H A 11 MET HB2 1.0 . 3.81 208 198 A 12 ASP H A 11 MET HB3 1.0 . 3.81 209 199 A 8 VAL H A 7 PRO HD2 1.0 . 5.50 210 200 A 8 VAL H A 7 PRO HB2 1.0 . 4.60 211 201 A 8 VAL H A 8 VAL HB 1.0 . 3.38 212 202 A 8 VAL H A 22 ILE HD1% 1.0 . 5.50 213 203 A 8 VAL H A 8 VAL HG1% 1.0 . 3.72 214 203 A 8 VAL H A 8 VAL HG2% 1.0 . 3.72 215 204 A 78 ALA H A 79 LEU HB3 1.0 . 4.53 216 205 A 74 VAL HG2% A 78 ALA H 1.0 . 5.50 217 206 A 78 ALA H A 75 PRO HD3 1.0 . 5.50 218 207 A 78 ALA H A 75 PRO HB2 1.0 . 4.77 219 208 A 78 ALA H A 77 GLU HG2 1.0 . 4.86 220 208 A 78 ALA H A 77 GLU HG3 1.0 . 4.86 221 209 A 41 GLY H A 42 CYS H 1.0 . 3.30 222 210 A 43 THR H A 42 CYS H 1.0 . 4.55 223 211 A 42 CYS H A 68 ALA HA 1.0 . 5.42 224 212 A 40 SER HA A 42 CYS H 1.0 . 3.77 225 213 A 42 CYS HB2 A 42 CYS H 1.0 . 3.81 226 214 A 42 CYS H A 42 CYS HB3 1.0 . 3.25 227 215 A 45 LEU HB3 A 42 CYS H 1.0 . 5.47 228 216 A 45 LEU HD1% A 42 CYS H 1.0 . 5.48 229 217 A 38 MET H A 39 PHE H 1.0 . 3.60 230 218 A 38 MET H A 35 TYR HD% 1.0 . 4.46 231 219 A 38 MET H A 36 ASP HA 1.0 . 4.25 232 220 A 38 MET H A 38 MET HG3 1.0 . 3.80 233 221 A 38 MET H A 38 MET HB3 1.0 . 3.50 234 222 A 38 MET H A 38 MET HG2 1.0 . 4.26 235 223 A 38 MET H A 38 MET HB2 1.0 . 3.48 236 224 A 32 GLY H A 33 LEU H 1.0 . 4.36 237 225 A 33 LEU H A 32 GLY HA3 1.0 . 3.24 238 226 A 33 LEU H A 32 GLY HA2 1.0 . 3.28 239 227 A 33 LEU H A 33 LEU HB2 1.0 . 3.19 240 228 A 33 LEU H A 33 LEU HB3 1.0 . 3.12 241 229 A 33 LEU H A 33 LEU HG 1.0 . 4.81 242 230 A 34 LEU H A 33 LEU H 1.0 . 4.74 243 231 A 72 ILE H A 71 LEU H 1.0 . 5.08 244 232 A 71 LEU H A 70 PHE HE% 1.0 . 5.50 245 233 A 71 LEU H A 70 PHE H 1.0 . 5.07 246 234 A 71 LEU H A 70 PHE HB3 1.0 . 3.32 247 235 A 71 LEU H A 71 LEU HB2 1.0 . 3.57 248 236 A 71 LEU H A 71 LEU HB3 1.0 . 4.01 249 237 A 71 LEU HD2% A 71 LEU H 1.0 . 4.97 250 238 A 58 TYR HE% A 53 GLU H 1.0 . 5.45 251 239 A 53 GLU H A 52 GLY HA3 1.0 . 2.96 252 240 A 53 GLU H A 54 ASP HB2 1.0 . 5.08 253 241 A 53 GLU H A 53 GLU HB2 1.0 . 3.49 254 242 A 48 LEU H A 71 LEU H 1.0 . 4.63 255 243 A 37 GLY H A 36 ASP H 1.0 . 4.50 256 244 A 35 TYR H A 36 ASP H 1.0 . 4.84 257 245 A 36 ASP H A 35 TYR HB2 1.0 . 3.43 258 246 A 36 ASP H A 36 ASP HB2 1.0 . 3.34 259 247 A 36 ASP H A 33 LEU HD1% 1.0 . 5.40 260 248 A 81 ARG H A 80 ASP H 1.0 . 3.20 261 249 A 81 ARG H A 82 TYR H 1.0 . 3.33 262 250 A 81 ARG H A 78 ALA HA 1.0 . 4.07 263 251 A 81 ARG H A 82 TYR HB2 1.0 . 5.21 264 252 A 81 ARG H A 81 ARG HB2 1.0 . 3.17 265 253 A 81 ARG H A 81 ARG HB3 1.0 . 3.37 266 254 A 19 ASN H A 20 THR H 1.0 . 4.79 267 255 A 17 ALA H A 19 ASN H 1.0 . 5.37 268 256 A 19 ASN H A 16 PHE HA 1.0 . 5.32 269 257 A 19 ASN H A 17 ALA HA 1.0 . 4.19 270 258 A 19 ASN H A 19 ASN HB2 1.0 . 3.27 271 259 A 19 ASN H A 19 ASN HB3 1.0 . 3.33 272 260 A 7 PRO HB2 A 19 ASN H 1.0 . 3.34 273 261 A 19 ASN H A 17 ALA HB% 1.0 . 5.32 274 262 A 22 ILE HD1% A 19 ASN H 1.0 . 5.50 275 263 A 22 ILE HG2% A 19 ASN H 1.0 . 5.41 276 264 A 59 SER H A 33 LEU HA 1.0 . 5.01 277 265 A 59 SER H A 34 LEU HD2% 1.0 . 5.50 278 266 A 59 SER H A 58 TYR HB2 1.0 . 4.33 279 267 A 59 SER H A 34 LEU HB2 1.0 . 4.85 280 268 A 55 PRO HA A 58 TYR H 1.0 . 5.50 281 269 A 58 TYR H A 56 SER H 1.0 . 4.72 282 270 A 58 TYR H A 58 TYR HD% 1.0 . 3.94 283 271 A 58 TYR H A 58 TYR HB2 1.0 . 4.13 284 272 A 58 TYR H A 58 TYR HB3 1.0 . 3.71 285 273 A 58 TYR H A 57 ALA HB% 1.0 . 4.47 286 274 A 59 SER H A 58 TYR H 1.0 . 5.12 287 275 A 91 TYR HE% A 91 TYR H 1.0 . 5.50 288 276 A 91 TYR H A 89 GLN HA 1.0 . 4.59 289 277 A 89 GLN H A 91 TYR H 1.0 . 5.50 290 278 A 91 TYR H A 91 TYR HB3 1.0 . 3.90 291 279 A 91 TYR H A 91 TYR HB2 1.0 . 3.57 292 280 A 91 TYR H A 92 ALA HB% 1.0 . 4.75 293 281 A 91 TYR H A 95 ILE HD1% 1.0 . 4.79 294 282 A 91 TYR H A 90 THR HG2% 1.0 . 4.83 295 283 A 53 GLU H A 54 ASP H 1.0 . 3.36 296 284 A 58 TYR HE% A 54 ASP H 1.0 . 5.28 297 285 A 54 ASP H A 52 GLY HA2 1.0 . 4.35 298 286 A 54 ASP H A 55 PRO HD2 1.0 . 5.02 299 287 A 54 ASP HB2 A 54 ASP H 1.0 . 3.40 300 288 A 54 ASP HB3 A 54 ASP H 1.0 . 3.55 301 289 A 54 ASP H A 53 GLU HB3 1.0 . 4.57 302 290 A 53 GLU HB2 A 54 ASP H 1.0 . 4.60 303 291 A 57 ALA HB% A 54 ASP H 1.0 . 5.38 304 292 A 91 TYR HD% A 90 THR H 1.0 . 5.44 305 293 A 90 THR H A 89 GLN HG2 1.0 . 4.86 306 294 A 90 THR H A 90 THR HB 1.0 . 3.24 307 295 A 90 THR H A 89 GLN HB3 1.0 . 3.96 308 296 A 90 THR H A 89 GLN HB2 1.0 . 3.78 309 297 A 54 ASP H A 55 PRO HD3 1.0 . 5.50 310 298 A 23 ARG H A 24 GLU H 1.0 . 3.04 311 299 A 22 ILE H A 24 GLU H 1.0 . 5.33 312 300 A 24 GLU H A 24 GLU HG2 1.0 . 4.17 313 300 A 24 GLU HG3 A 24 GLU H 1.0 . 4.17 314 301 A 24 GLU HB2 A 24 GLU H 1.0 . 4.00 315 302 A 23 ARG HB3 A 24 GLU H 1.0 . 4.25 316 303 A 22 ILE HG13 A 24 GLU H 1.0 . 3.95 317 304 A 89 GLN H A 90 THR H 1.0 . 3.44 318 305 A 89 GLN H A 89 GLN HE22 1.0 . 4.42 319 306 A 89 GLN H A 86 TYR HA 1.0 . 5.50 320 307 A 89 GLN H A 88 TRP HB2 1.0 . 4.23 321 307 A 89 GLN H A 88 TRP HB3 1.0 . 4.23 322 308 A 85 ASP HB2 A 89 GLN H 1.0 . 4.54 323 309 A 89 GLN H A 85 ASP HB3 1.0 . 4.12 324 310 A 89 GLN H A 89 GLN HB3 1.0 . 3.32 325 311 A 89 GLN H A 89 GLN HG2 1.0 . 3.68 326 312 A 89 GLN H A 89 GLN HG3 1.0 . 3.34 327 313 A 89 GLN H A 90 THR HG2% 1.0 . 5.50 328 314 A 19 ASN HB2 A 21 VAL H 1.0 . 5.50 329 315 A 44 ALA H A 21 VAL H 1.0 . 4.90 330 316 A 22 ILE H A 21 VAL H 1.0 . 2.96 331 317 A 21 VAL H A 19 ASN HA 1.0 . 4.15 332 318 A 21 VAL H A 20 THR HB 1.0 . 5.18 333 319 A 21 VAL H A 22 ILE HA 1.0 . 5.31 334 320 A 21 VAL H A 22 ILE HB 1.0 . 5.24 335 321 A 22 ILE HD1% A 21 VAL H 1.0 . 5.50 336 322 A 21 VAL H A 20 THR HG2% 1.0 . 5.13 337 323 A 95 ILE H A 93 ALA H 1.0 . 4.53 338 324 A 93 ALA HB% A 93 ALA H 1.0 . 3.28 339 325 A 93 ALA H A 94 TRP HB3 1.0 . 5.50 340 326 A 76 GLU H A 77 GLU H 1.0 . 3.67 341 327 A 78 ALA H A 77 GLU H 1.0 . 3.37 342 328 A 79 LEU H A 77 GLU H 1.0 . 4.68 343 329 A 78 ALA HA A 77 GLU H 1.0 . 5.42 344 330 A 77 GLU H A 77 GLU HG2 1.0 . 3.64 345 330 A 77 GLU HG3 A 77 GLU H 1.0 . 3.64 346 331 A 77 GLU H A 76 GLU HG3 1.0 . 3.76 347 332 A 77 GLU H A 77 GLU HB3 1.0 . 2.92 348 333 A 77 GLU H A 75 PRO HB3 1.0 . 4.07 349 334 A 86 TYR H A 87 PHE H 1.0 . 3.81 350 335 A 87 PHE H A 88 TRP HD1 1.0 . 5.50 351 336 A 87 PHE HD% A 87 PHE H 1.0 . 4.73 352 337 A 87 PHE H A 88 TRP HA 1.0 . 5.35 353 338 A 87 PHE H A 88 TRP HB2 1.0 . 4.83 354 338 A 88 TRP HB3 A 87 PHE H 1.0 . 4.83 355 339 A 85 ASP HB3 A 87 PHE H 1.0 . 3.42 356 340 A 87 PHE H A 87 PHE HB3 1.0 . 3.48 357 341 A 16 PHE H A 15 LEU H 1.0 . 3.87 358 342 A 16 PHE H A 16 PHE HB2 1.0 . 3.73 359 343 A 16 PHE H A 17 ALA HB% 1.0 . 5.20 360 344 A 16 PHE H A 15 LEU HB2 1.0 . 4.68 361 345 A 16 PHE H A 15 LEU HB3 1.0 . 4.61 362 346 A 16 PHE H A 15 LEU HD1% 1.0 . 5.50 363 347 A 20 THR H A 19 ASN HA 1.0 . 2.89 364 348 A 20 THR H A 20 THR HB 1.0 . 4.19 365 349 A 20 THR H A 19 ASN HB2 1.0 . 4.87 366 350 A 20 THR H A 21 VAL HG1% 1.0 . 4.63 367 350 A 20 THR H A 21 VAL HG2% 1.0 . 4.63 368 351 A 22 ILE H A 20 THR H 1.0 . 5.41 369 352 A 20 THR H A 19 ASN HD21 1.0 . 5.50 370 353 A 80 ASP H A 78 ALA HA 1.0 . 5.01 371 354 A 80 ASP H A 81 ARG HA 1.0 . 5.39 372 355 A 68 ALA H A 69 ASP H 1.0 . 5.03 373 356 A 83 ARG H A 80 ASP H 1.0 . 4.99 374 357 A 79 LEU H A 80 ASP H 1.0 . 3.64 375 358 A 77 GLU HA A 80 ASP H 1.0 . 5.50 376 359 A 80 ASP H A 80 ASP HB2 1.0 . 2.93 377 360 A 79 LEU HB2 A 80 ASP H 1.0 . 3.22 378 361 A 74 VAL HG2% A 80 ASP H 1.0 . 5.50 379 362 A 82 TYR H A 82 TYR HB2 1.0 . 3.28 380 363 A 82 TYR H A 81 ARG HB2 1.0 . 3.88 381 364 A 82 TYR H A 81 ARG HB3 1.0 . 3.82 382 365 A 82 TYR H A 95 ILE HG2% 1.0 . 5.50 383 366 A 74 VAL HG2% A 82 TYR H 1.0 . 5.25 384 367 A 82 TYR H A 55 PRO HG3 1.0 . 5.50 385 368 A 82 TYR H A 74 VAL HG1% 1.0 . 5.50 386 369 A 47 LYS H A 45 LEU HD1% 1.0 . 5.50 387 370 A 70 PHE HD% A 69 ASP H 1.0 . 4.36 388 371 A 70 PHE H A 69 ASP H 1.0 . 3.61 389 372 A 46 GLU H A 47 LYS H 1.0 . 3.18 390 373 A 47 LYS H A 45 LEU HA 1.0 . 4.09 391 374 A 47 LYS H A 47 LYS HB3 1.0 . 3.96 392 375 A 47 LYS H A 47 LYS HG3 1.0 . 5.50 393 376 A 47 LYS H A 45 LEU HG 1.0 . 4.72 394 377 A 47 LYS H A 71 LEU H 1.0 . 5.07 395 378 A 32 GLY HA3 A 31 ILE H 1.0 . 5.50 396 379 A 31 ILE H A 30 ASN HB2 1.0 . 4.69 397 379 A 31 ILE H A 30 ASN HB3 1.0 . 4.69 398 380 A 31 ILE H A 29 PRO HA 1.0 . 4.75 399 381 A 39 PHE H A 38 MET HB2 1.0 . 4.98 400 382 A 39 PHE H A 39 PHE HB3 1.0 . 3.81 401 383 A 39 PHE H A 38 MET HG2 1.0 . 5.09 402 384 A 95 ILE H A 94 TRP H 1.0 . 3.24 403 385 A 94 TRP H A 91 TYR HA 1.0 . 5.17 404 386 A 94 TRP HB3 A 94 TRP H 1.0 . 3.76 405 387 A 92 ALA HB% A 94 TRP H 1.0 . 5.26 406 388 A 94 TRP H A 95 ILE HB 1.0 . 4.70 407 389 A 93 ALA HB% A 94 TRP H 1.0 . 4.45 408 390 A 68 ALA H A 41 GLY H 1.0 . 5.44 409 391 A 40 SER HA A 41 GLY H 1.0 . 2.94 410 392 A 41 GLY H A 42 CYS HB3 1.0 . 5.50 411 393 A 41 GLY H A 43 THR HG2% 1.0 . 5.50 412 394 A 41 GLY H A 42 CYS HA 1.0 . 5.38 413 395 A 41 GLY H A 68 ALA HA 1.0 . 4.98 414 396 A 15 LEU H A 14 SER H 1.0 . 3.62 415 397 A 14 SER H A 14 SER HB3 1.0 . 3.53 416 398 A 14 SER H A 14 SER HB2 1.0 . 3.79 417 399 A 13 LYS HB2 A 14 SER H 1.0 . 4.65 418 400 A 14 SER H A 15 LEU HG 1.0 . 5.49 419 401 A 12 ASP HB2 A 14 SER H 1.0 . 5.28 420 402 A 10 GLY H A 16 PHE HZ 1.0 . 5.42 421 403 A 10 GLY H A 9 VAL HB 1.0 . 4.65 422 404 A 14 SER H A 13 LYS HB3 1.0 . 5.05 423 405 A 73 CYS H A 74 VAL H 1.0 . 4.93 424 406 A 74 VAL H A 96 GLN HB2 1.0 . 5.39 425 407 A 74 VAL H A 98 MET HA 1.0 . 4.85 426 408 A 74 VAL H A 96 GLN HA 1.0 . 5.39 427 409 A 44 ALA H A 43 THR H 1.0 . 3.64 428 410 A 43 THR H A 42 CYS HA 1.0 . 3.03 429 411 A 43 THR H A 20 THR HB 1.0 . 4.36 430 412 A 42 CYS HB2 A 43 THR H 1.0 . 4.68 431 413 A 43 THR H A 42 CYS HB3 1.0 . 4.81 432 414 A 41 GLY H A 40 SER H 1.0 . 4.82 433 415 A 40 SER H A 68 ALA HB% 1.0 . 5.50 434 416 A 39 PHE H A 40 SER H 1.0 . 3.12 435 417 A 38 MET H A 40 SER H 1.0 . 4.58 436 418 A 17 ALA HA A 40 SER H 1.0 . 4.64 437 419 A 40 SER H A 40 SER HB2 1.0 . 2.90 438 419 A 40 SER H A 40 SER HB3 1.0 . 2.90 439 420 A 40 SER H A 39 PHE HB2 1.0 . 4.95 440 421 A 39 PHE HB3 A 40 SER H 1.0 . 4.85 441 422 A 19 ASN HA A 19 ASN HD21 1.0 . 5.50 442 423 A 7 PRO HD2 A 19 ASN HD21 1.0 . 5.50 443 424 A 19 ASN HD21 A 21 VAL HB 1.0 . 5.42 444 425 A 19 ASN HA A 19 ASN HD22 1.0 . 5.11 445 426 A 22 ILE HB A 19 ASN HD22 1.0 . 4.79 446 427 A 22 ILE HB A 19 ASN HD21 1.0 . 4.38 447 428 A 19 ASN HD21 A 21 VAL HG1% 1.0 . 4.68 448 428 A 21 VAL HG2% A 19 ASN HD21 1.0 . 4.68 449 429 A 30 ASN H A 31 ILE HG2% 1.0 . 5.50 450 430 A 58 TYR HE% A 30 ASN H 1.0 . 5.50 451 431 A 30 ASN HD22 A 57 ALA HA 1.0 . 5.50 452 432 A 30 ASN H A 30 ASN HD22 1.0 . 5.42 453 433 A 30 ASN HD22 A 30 ASN HA 1.0 . 4.98 454 434 A 30 ASN HD22 A 29 PRO HG3 1.0 . 5.50 455 435 A 30 ASN HD22 A 29 PRO HB2 1.0 . 4.87 456 435 A 30 ASN HD22 A 29 PRO HB3 1.0 . 4.87 457 436 A 30 ASN HA A 30 ASN HD21 1.0 . 5.50 458 437 A 29 PRO HG3 A 30 ASN HD21 1.0 . 5.50 459 438 A 30 ASN HD21 A 29 PRO HB2 1.0 . 5.28 460 438 A 29 PRO HB3 A 30 ASN HD21 1.0 . 5.28 461 439 A 30 ASN H A 30 ASN HD21 1.0 . 5.50 462 440 A 57 ALA HB% A 30 ASN HD22 1.0 . 5.40 463 441 A 83 ARG H A 82 TYR HB2 1.0 . 3.77 464 442 A 83 ARG H A 82 TYR HB3 1.0 . 4.18 465 443 A 83 ARG H A 83 ARG HB2 1.0 . 3.35 466 444 A 83 ARG H A 95 ILE HD1% 1.0 . 5.50 467 445 A 74 VAL HG2% A 83 ARG H 1.0 . 5.50 468 446 A 28 GLN HA A 28 GLN HE22 1.0 . 4.84 469 447 A 28 GLN HE22 A 28 GLN HG2 1.0 . 3.95 470 447 A 28 GLN HE22 A 28 GLN HG3 1.0 . 3.95 471 448 A 26 THR HG2% A 28 GLN HE22 1.0 . 4.71 472 449 A 28 GLN HE21 A 51 THR HG2% 1.0 . 5.08 473 450 A 83 ARG H A 84 ARG H 1.0 . 3.53 474 451 A 84 ARG H A 81 ARG HA 1.0 . 4.39 475 452 A 85 ASP HB2 A 84 ARG H 1.0 . 5.03 476 453 A 84 ARG H A 84 ARG HD3 1.0 . 5.50 477 454 A 84 ARG H A 83 ARG HB2 1.0 . 3.49 478 455 A 84 ARG H A 84 ARG HB2 1.0 . 3.14 479 456 A 84 ARG H A 80 ASP HB3 1.0 . 5.50 480 457 A 63 GLY HA2 A 65 ARG H 1.0 . 5.28 481 458 A 65 ARG H A 64 LEU HD1% 1.0 . 5.50 482 459 A 65 ARG H A 65 ARG HG2 1.0 . 4.66 483 460 A 64 LEU H A 65 ARG H 1.0 . 3.78 484 461 A 91 TYR HD% A 65 ARG H 1.0 . 5.49 485 462 A 65 ARG H A 63 GLY HA3 1.0 . 5.25 486 463 A 65 ARG H A 65 ARG HD2 1.0 . 5.02 487 463 A 65 ARG H A 65 ARG HD3 1.0 . 5.02 488 464 A 64 LEU HB2 A 65 ARG H 1.0 . 4.41 489 465 A 65 ARG H A 64 LEU HG 1.0 . 4.76 490 466 A 64 LEU HB3 A 65 ARG H 1.0 . 3.55 491 467 A 65 ARG H A 65 ARG HB2 1.0 . 3.66 492 468 A 65 ARG H A 65 ARG HG3 1.0 . 4.04 493 469 A 61 GLY H A 63 GLY H 1.0 . 5.09 494 470 A 62 ASP H A 63 GLY H 1.0 . 3.26 495 471 A 64 LEU H A 63 GLY H 1.0 . 3.62 496 472 A 63 GLY H A 64 LEU HA 1.0 . 5.50 497 473 A 63 GLY H A 61 GLY HA2 1.0 . 3.98 498 473 A 61 GLY HA3 A 63 GLY H 1.0 . 3.98 499 474 A 63 GLY H A 62 ASP HB2 1.0 . 4.30 500 475 A 62 ASP HB3 A 63 GLY H 1.0 . 4.24 501 476 A 90 THR H A 89 GLN HE22 1.0 . 5.42 502 477 A 89 GLN HA A 89 GLN HE22 1.0 . 5.36 503 478 A 89 GLN HB3 A 89 GLN HE22 1.0 . 3.91 504 479 A 89 GLN HB2 A 89 GLN HE21 1.0 . 5.12 505 480 A 32 GLY H A 31 ILE H 1.0 . 3.49 506 481 A 32 GLY H A 13 LYS HE2 1.0 . 5.39 507 481 A 32 GLY H A 13 LYS HE3 1.0 . 5.39 508 482 A 32 GLY H A 31 ILE HB 1.0 . 4.56 509 483 A 32 GLY H A 13 LYS HG2 1.0 . 5.17 510 484 A 71 LEU HD2% A 96 GLN HE22 1.0 . 5.50 511 485 A 96 GLN HA A 96 GLN HE21 1.0 . 5.49 512 486 A 96 GLN HE21 A 96 GLN HB3 1.0 . 3.90 513 487 A 96 GLN HB2 A 96 GLN HE21 1.0 . 5.50 514 488 A 71 LEU HD2% A 96 GLN HE21 1.0 . 5.50 515 489 A 71 LEU HD1% A 96 GLN HE21 1.0 . 5.50 516 490 A 5 GLY H A 4 GLU HB3 1.0 . 4.84 517 491 A 4 GLU HB2 A 5 GLY H 1.0 . 4.87 518 492 A 5 GLY H A 4 GLU HG2 1.0 . 5.50 519 492 A 5 GLY H A 4 GLU HG3 1.0 . 5.50 520 493 A 66 ASP H A 67 GLY H 1.0 . 4.66 521 494 A 67 GLY H A 66 ASP HB2 1.0 . 3.80 522 494 A 66 ASP HB3 A 67 GLY H 1.0 . 3.80 523 495 A 67 GLY H A 68 ALA HB% 1.0 . 5.50 524 496 A 7 PRO HB2 A 18 GLY H 1.0 . 4.59 525 497 A 17 ALA H A 18 GLY H 1.0 . 4.73 526 498 A 19 ASN HA A 18 GLY H 1.0 . 5.11 527 499 A 58 TYR HE% A 51 THR H 1.0 . 4.74 528 500 A 51 THR H A 28 GLN HA 1.0 . 4.38 529 501 A 51 THR H A 27 VAL HB 1.0 . 5.27 530 502 A 51 THR H A 50 LEU HB2 1.0 . 4.63 531 503 A 51 THR H A 50 LEU HD2% 1.0 . 5.19 532 504 A 51 THR H A 50 LEU HD1% 1.0 . 5.50 533 505 A 34 LEU H A 61 GLY H 1.0 . 5.20 534 506 A 60 ALA HA A 61 GLY H 1.0 . 3.31 535 507 A 61 GLY H A 35 TYR HA 1.0 . 5.46 536 508 A 64 LEU HB2 A 61 GLY H 1.0 . 5.43 537 509 A 61 GLY H A 33 LEU HD2% 1.0 . 5.38 538 510 A 60 ALA H A 61 GLY H 1.0 . 5.06 539 511 A 61 GLY H A 34 LEU HD1% 1.0 . 5.50 540 512 A 56 SER H A 54 ASP H 1.0 . 5.50 541 513 A 57 ALA H A 56 SER H 1.0 . 3.23 542 514 A 56 SER H A 56 SER HB2 1.0 . 3.16 543 514 A 56 SER H A 56 SER HB3 1.0 . 3.16 544 515 A 56 SER H A 55 PRO HD3 1.0 . 4.00 545 516 A 54 ASP HB2 A 56 SER H 1.0 . 5.05 546 517 A 54 ASP HB3 A 56 SER H 1.0 . 5.50 547 518 A 56 SER H A 55 PRO HB2 1.0 . 4.18 548 519 A 56 SER H A 55 PRO HG2 1.0 . 5.15 549 520 A 56 SER H A 57 ALA HB% 1.0 . 4.95 550 521 A 51 THR H A 52 GLY H 1.0 . 3.47 551 522 A 58 TYR HE% A 52 GLY H 1.0 . 3.79 552 523 A 52 GLY H A 28 GLN HA 1.0 . 4.65 553 524 A 52 GLY H A 50 LEU HA 1.0 . 4.53 554 525 A 52 GLY H A 29 PRO HD2 1.0 . 4.91 555 526 A 52 GLY H A 29 PRO HG2 1.0 . 4.80 556 527 A 50 LEU HB2 A 52 GLY H 1.0 . 4.91 557 528 A 52 GLY H A 53 GLU H 1.0 . 4.87 558 529 A 63 GLY HA2 A 37 GLY H 1.0 . 4.98 559 530 A 37 GLY H A 36 ASP HB3 1.0 . 4.29 560 531 A 37 GLY H A 66 ASP HB2 1.0 . 3.64 561 531 A 66 ASP HB3 A 37 GLY H 1.0 . 3.64 562 532 A 37 GLY HA2 A 66 ASP HB2 1.0 . 3.96 563 532 A 66 ASP HB3 A 37 GLY HA2 1.0 . 3.96 564 533 A 40 SER H A 37 GLY HA3 1.0 . 4.46 565 534 A 41 GLY H A 67 GLY HA3 1.0 . 4.03 566 535 A 67 GLY HA3 A 66 ASP HB2 1.0 . 4.44 567 535 A 66 ASP HB3 A 67 GLY HA3 1.0 . 4.44 568 536 A 40 SER HA A 67 GLY HA2 1.0 . 3.85 569 537 A 17 ALA HB% A 18 GLY HA3 1.0 . 4.88 570 538 A 63 GLY HA2 A 36 ASP HB3 1.0 . 3.92 571 539 A 43 THR HG2% A 41 GLY HA3 1.0 . 5.07 572 540 A 66 ASP H A 63 GLY HA2 1.0 . 4.72 573 541 A 43 THR HG2% A 41 GLY HA2 1.0 . 4.67 574 542 A 43 THR H A 41 GLY HA2 1.0 . 4.77 575 543 A 52 GLY HA3 A 29 PRO HG2 1.0 . 4.30 576 544 A 6 GLU H A 5 GLY HA2 1.0 . 3.51 577 545 A 53 GLU H A 52 GLY HA2 1.0 . 3.30 578 546 A 58 TYR HE% A 52 GLY HA2 1.0 . 4.15 579 547 A 52 GLY HA2 A 29 PRO HG3 1.0 . 4.46 580 548 A 10 GLY HA3 A 31 ILE HD1% 1.0 . 4.59 581 549 A 58 TYR HE% A 52 GLY HA3 1.0 . 4.13 582 550 A 88 TRP H A 85 ASP HB2 1.0 . 4.05 583 551 A 85 ASP HB2 A 82 TYR HA 1.0 . 3.73 584 552 A 85 ASP HB2 A 88 TRP HB2 1.0 . 3.53 585 552 A 85 ASP HB2 A 88 TRP HB3 1.0 . 3.53 586 553 A 10 GLY HA2 A 11 MET HB2 1.0 . 4.48 587 553 A 10 GLY HA2 A 11 MET HB3 1.0 . 4.48 588 554 A 10 GLY HA2 A 31 ILE HD1% 1.0 . 5.31 589 555 A 72 ILE HA A 48 LEU HB3 1.0 . 4.49 590 556 A 72 ILE HA A 48 LEU HB2 1.0 . 3.84 591 557 A 49 ILE H A 48 LEU HB3 1.0 . 4.82 592 558 A 48 LEU HB3 A 48 LEU HD1% 1.0 . 3.86 593 559 A 48 LEU HB3 A 47 LYS HA 1.0 . 5.01 594 560 A 32 GLY HA3 A 31 ILE HG2% 1.0 . 5.19 595 561 A 79 LEU HD2% A 83 ARG HD2 1.0 . 4.27 596 561 A 79 LEU HD2% A 83 ARG HD3 1.0 . 4.27 597 562 A 83 ARG H A 83 ARG HD2 1.0 . 4.39 598 562 A 83 ARG H A 83 ARG HD3 1.0 . 4.39 599 563 A 83 ARG HA A 83 ARG HD2 1.0 . 4.25 600 563 A 83 ARG HD3 A 83 ARG HA 1.0 . 4.25 601 564 A 62 ASP HB3 A 61 GLY HA2 1.0 . 5.02 602 564 A 61 GLY HA3 A 62 ASP HB3 1.0 . 5.02 603 565 A 60 ALA HB% A 61 GLY HA2 1.0 . 5.31 604 565 A 60 ALA HB% A 61 GLY HA3 1.0 . 5.31 605 566 A 72 ILE H A 71 LEU HB2 1.0 . 4.12 606 567 A 71 LEU HB2 A 47 LYS HA 1.0 . 4.63 607 568 A 72 ILE H A 71 LEU HB3 1.0 . 3.79 608 569 A 81 ARG HA A 81 ARG HD2 1.0 . 4.81 609 570 A 54 ASP HA A 81 ARG HD2 1.0 . 4.74 610 571 A 78 ALA HA A 81 ARG HD2 1.0 . 4.07 611 572 A 23 ARG HA A 23 ARG HD2 1.0 . 5.04 612 573 A 23 ARG HD3 A 44 ALA HB% 1.0 . 5.34 613 574 A 23 ARG HD3 A 23 ARG HA 1.0 . 4.84 614 575 A 84 ARG HD3 A 80 ASP HB3 1.0 . 4.59 615 576 A 84 ARG HD3 A 84 ARG HB3 1.0 . 3.77 616 577 A 84 ARG HA A 84 ARG HD2 1.0 . 4.52 617 578 A 78 ALA H A 79 LEU HB2 1.0 . 4.92 618 579 A 84 ARG HB3 A 84 ARG HD2 1.0 . 3.75 619 580 A 74 VAL HG2% A 79 LEU HB2 1.0 . 5.24 620 581 A 79 LEU HB2 A 79 LEU HD2% 1.0 . 4.10 621 582 A 79 LEU HB2 A 80 ASP HB2 1.0 . 4.66 622 583 A 79 LEU HB3 A 80 ASP H 1.0 . 3.83 623 584 A 79 LEU HB3 A 79 LEU HD1% 1.0 . 3.65 624 585 A 74 VAL HG2% A 79 LEU HB3 1.0 . 4.71 625 586 A 79 LEU HB3 A 79 LEU HD2% 1.0 . 3.75 626 587 A 34 LEU H A 33 LEU HB2 1.0 . 4.67 627 588 A 34 LEU H A 33 LEU HB3 1.0 . 4.45 628 589 A 32 GLY HA2 A 33 LEU HB3 1.0 . 5.19 629 590 A 64 LEU HB2 A 91 TYR HE% 1.0 . 5.06 630 591 A 60 ALA HA A 64 LEU HB2 1.0 . 4.28 631 592 A 60 ALA HB% A 64 LEU HB2 1.0 . 3.34 632 593 A 33 LEU HB2 A 33 LEU HD2% 1.0 . 4.22 633 594 A 64 LEU HB3 A 64 LEU HD1% 1.0 . 3.91 634 595 A 33 LEU HB3 A 33 LEU HD1% 1.0 . 3.81 635 596 A 33 LEU HB3 A 33 LEU HD2% 1.0 . 3.94 636 597 A 32 GLY HA3 A 33 LEU HB3 1.0 . 5.50 637 598 A 46 GLU H A 45 LEU HB2 1.0 . 4.78 638 599 A 44 ALA H A 45 LEU HB2 1.0 . 5.01 639 600 A 45 LEU HB2 A 42 CYS HB3 1.0 . 4.03 640 601 A 45 LEU HB3 A 45 LEU HD2% 1.0 . 4.20 641 602 A 31 ILE HG2% A 13 LYS HE2 1.0 . 3.58 642 602 A 31 ILE HG2% A 13 LYS HE3 1.0 . 3.58 643 603 A 13 LYS HG2 A 13 LYS HE2 1.0 . 4.02 644 603 A 13 LYS HE3 A 13 LYS HG2 1.0 . 4.02 645 604 A 91 TYR HD% A 65 ARG HD2 1.0 . 4.44 646 604 A 91 TYR HD% A 65 ARG HD3 1.0 . 4.44 647 605 A 70 PHE H A 65 ARG HD2 1.0 . 3.76 648 605 A 70 PHE H A 65 ARG HD3 1.0 . 3.76 649 606 A 15 LEU HB2 A 15 LEU HD2% 1.0 . 4.14 650 607 A 25 ILE H A 25 ILE HB 1.0 . 3.51 651 608 A 25 ILE HB A 48 LEU HA 1.0 . 4.16 652 609 A 25 ILE HB A 25 ILE HD1% 1.0 . 3.74 653 610 A 58 TYR HB2 A 50 LEU HD1% 1.0 . 5.00 654 611 A 58 TYR HB3 A 50 LEU HD1% 1.0 . 4.98 655 612 A 57 ALA H A 54 ASP HB2 1.0 . 4.66 656 613 A 47 LYS HG2 A 47 LYS HE3 1.0 . 3.58 657 614 A 47 LYS HG3 A 47 LYS HE3 1.0 . 3.54 658 615 A 54 ASP HB3 A 55 PRO HD3 1.0 . 4.97 659 616 A 15 LEU H A 15 LEU HB2 1.0 . 3.83 660 617 A 15 LEU H A 15 LEU HB3 1.0 . 3.90 661 618 A 58 TYR HB2 A 34 LEU HD1% 1.0 . 4.71 662 619 A 59 SER H A 58 TYR HB3 1.0 . 4.67 663 620 A 70 PHE H A 69 ASP HB2 1.0 . 4.91 664 621 A 68 ALA HA A 69 ASP HB2 1.0 . 4.89 665 622 A 69 ASP H A 69 ASP HB3 1.0 . 3.65 666 623 A 70 PHE H A 69 ASP HB3 1.0 . 4.65 667 624 A 68 ALA HA A 69 ASP HB3 1.0 . 4.58 668 625 A 69 ASP H A 69 ASP HB2 1.0 . 3.65 669 626 A 68 ALA HB% A 69 ASP HB3 1.0 . 5.21 670 627 A 62 ASP H A 62 ASP HB2 1.0 . 3.54 671 628 A 46 GLU HA A 70 PHE HB2 1.0 . 3.97 672 629 A 81 ARG H A 80 ASP HB2 1.0 . 3.71 673 630 A 81 ARG H A 80 ASP HB3 1.0 . 3.63 674 631 A 69 ASP H A 70 PHE HB2 1.0 . 4.27 675 632 A 71 LEU H A 70 PHE HB2 1.0 . 3.62 676 633 A 45 LEU HD2% A 70 PHE HB3 1.0 . 5.38 677 634 A 45 LEU HG A 70 PHE HB3 1.0 . 3.93 678 635 A 45 LEU HD1% A 70 PHE HB3 1.0 . 4.87 679 636 A 80 ASP H A 80 ASP HB3 1.0 . 2.97 680 637 A 12 ASP HB3 A 15 LEU HD2% 1.0 . 4.24 681 638 A 12 ASP HB2 A 15 LEU HG 1.0 . 4.48 682 639 A 17 ALA HA A 16 PHE HB3 1.0 . 5.02 683 640 A 16 PHE H A 16 PHE HB3 1.0 . 4.17 684 641 A 16 PHE HB3 A 16 PHE HD1 1.0 . 3.43 685 642 A 22 ILE HD1% A 16 PHE HB3 1.0 . 4.73 686 643 A 16 PHE HB2 A 38 MET HG2 1.0 . 5.17 687 644 A 17 ALA H A 16 PHE HB3 1.0 . 4.40 688 645 A 65 ARG H A 66 ASP HB2 1.0 . 4.37 689 645 A 66 ASP HB3 A 65 ARG H 1.0 . 4.37 690 646 A 88 TRP H A 87 PHE HB2 1.0 . 3.97 691 647 A 87 PHE H A 87 PHE HB2 1.0 . 3.59 692 648 A 37 GLY HA3 A 66 ASP HB2 1.0 . 3.57 693 648 A 66 ASP HB3 A 37 GLY HA3 1.0 . 3.57 694 649 A 34 LEU HB2 A 33 LEU HA 1.0 . 5.00 695 650 A 34 LEU HB2 A 34 LEU HD1% 1.0 . 3.50 696 651 A 34 LEU HB2 A 34 LEU HD2% 1.0 . 4.15 697 652 A 34 LEU HB3 A 35 TYR H 1.0 . 4.50 698 653 A 34 LEU HB3 A 34 LEU HD2% 1.0 . 4.01 699 654 A 60 ALA HA A 34 LEU HB2 1.0 . 4.24 700 655 A 36 ASP H A 36 ASP HB3 1.0 . 3.73 701 656 A 24 GLU H A 22 ILE HB 1.0 . 4.66 702 657 A 19 ASN HB2 A 22 ILE HB 1.0 . 4.88 703 658 A 91 TYR HB3 A 88 TRP HE3 1.0 . 4.95 704 659 A 74 VAL HG2% A 82 TYR HB2 1.0 . 4.53 705 660 A 82 TYR H A 82 TYR HB3 1.0 . 3.52 706 661 A 74 VAL HG2% A 82 TYR HB3 1.0 . 4.62 707 662 A 23 ARG H A 22 ILE HB 1.0 . 4.67 708 663 A 72 ILE HB A 71 LEU HA 1.0 . 4.94 709 664 A 22 ILE H A 22 ILE HB 1.0 . 3.32 710 665 A 35 TYR H A 35 TYR HB2 1.0 . 3.95 711 666 A 82 TYR HB2 A 74 VAL HG1% 1.0 . 4.95 712 667 A 35 TYR H A 35 TYR HB3 1.0 . 3.88 713 668 A 36 ASP H A 35 TYR HB3 1.0 . 3.74 714 669 A 33 LEU HD1% A 35 TYR HB3 1.0 . 4.33 715 670 A 31 ILE H A 31 ILE HB 1.0 . 3.44 716 671 A 33 LEU HG A 35 TYR HB2 1.0 . 4.95 717 672 A 39 PHE H A 39 PHE HB2 1.0 . 4.12 718 673 A 45 LEU HD1% A 39 PHE HB2 1.0 . 3.93 719 674 A 45 LEU HD1% A 39 PHE HB3 1.0 . 4.43 720 675 A 95 ILE HB A 83 ARG HD2 1.0 . 4.94 721 675 A 95 ILE HB A 83 ARG HD3 1.0 . 4.94 722 676 A 95 ILE H A 95 ILE HB 1.0 . 3.34 723 677 A 95 ILE HB A 92 ALA HA 1.0 . 3.60 724 678 A 95 ILE HD1% A 95 ILE HB 1.0 . 3.83 725 679 A 50 LEU HB3 A 74 VAL HA 1.0 . 4.37 726 680 A 26 THR H A 49 ILE HB 1.0 . 4.63 727 681 A 51 THR H A 50 LEU HB3 1.0 . 4.76 728 682 A 50 LEU HB2 A 50 LEU HD2% 1.0 . 4.17 729 683 A 50 LEU HB2 A 50 LEU HD1% 1.0 . 3.62 730 684 A 49 ILE H A 49 ILE HB 1.0 . 3.37 731 685 A 50 LEU H A 49 ILE HB 1.0 . 4.77 732 686 A 49 ILE HB A 48 LEU HA 1.0 . 4.78 733 687 A 19 ASN HB2 A 19 ASN HD22 1.0 . 3.97 734 688 A 7 PRO HB2 A 19 ASN HB2 1.0 . 4.05 735 689 A 19 ASN HB3 A 19 ASN HD22 1.0 . 3.55 736 690 A 7 PRO HB2 A 19 ASN HB3 1.0 . 4.22 737 691 A 20 THR H A 19 ASN HB3 1.0 . 4.46 738 692 A 86 TYR HB3 A 87 PHE HA 1.0 . 4.94 739 693 A 85 ASP HA A 86 TYR HB2 1.0 . 4.34 740 694 A 86 TYR H A 86 TYR HB2 1.0 . 3.27 741 695 A 87 PHE H A 86 TYR HB2 1.0 . 4.15 742 696 A 86 TYR H A 86 TYR HB3 1.0 . 3.28 743 697 A 87 PHE H A 86 TYR HB3 1.0 . 3.92 744 698 A 49 ILE HD1% A 47 LYS HB2 1.0 . 5.08 745 699 A 47 LYS HB2 A 24 GLU HG2 1.0 . 4.57 746 699 A 24 GLU HG3 A 47 LYS HB2 1.0 . 4.57 747 700 A 48 LEU H A 47 LYS HB2 1.0 . 4.47 748 701 A 47 LYS HB3 A 47 LYS HE3 1.0 . 5.14 749 702 A 48 LEU H A 47 LYS HB3 1.0 . 4.44 750 703 A 49 ILE HD1% A 47 LYS HB3 1.0 . 5.11 751 704 A 29 PRO HB2 A 30 ASN HB2 1.0 . 4.52 752 704 A 29 PRO HB3 A 30 ASN HB2 1.0 . 4.52 753 704 A 30 ASN HB3 A 29 PRO HB2 1.0 . 4.52 754 704 A 30 ASN HB3 A 29 PRO HB3 1.0 . 4.52 755 705 A 30 ASN H A 30 ASN HB2 1.0 . 3.46 756 705 A 30 ASN HB3 A 30 ASN H 1.0 . 3.46 757 706 A 30 ASN HD22 A 30 ASN HB2 1.0 . 3.30 758 706 A 30 ASN HB3 A 30 ASN HD22 1.0 . 3.30 759 707 A 30 ASN HD21 A 30 ASN HB2 1.0 . 3.88 760 707 A 30 ASN HB3 A 30 ASN HD21 1.0 . 3.88 761 708 A 30 ASN HA A 30 ASN HB2 1.0 . 2.86 762 708 A 30 ASN HB3 A 30 ASN HA 1.0 . 2.86 763 709 A 57 ALA HB% A 30 ASN HB2 1.0 . 5.12 764 709 A 57 ALA HB% A 30 ASN HB3 1.0 . 5.12 765 710 A 29 PRO HG3 A 30 ASN HB2 1.0 . 4.76 766 710 A 30 ASN HB3 A 29 PRO HG3 1.0 . 4.76 767 711 A 46 GLU H A 46 GLU HG2 1.0 . 3.85 768 712 A 46 GLU HA A 46 GLU HG2 1.0 . 3.82 769 713 A 23 ARG HG2 A 46 GLU HG2 1.0 . 5.20 770 714 A 45 LEU HA A 46 GLU HG2 1.0 . 4.97 771 715 A 23 ARG HD3 A 46 GLU HG2 1.0 . 5.33 772 716 A 46 GLU H A 46 GLU HG3 1.0 . 4.18 773 717 A 45 LEU HA A 46 GLU HG3 1.0 . 5.40 774 718 A 3 HIS HA A 4 GLU HG2 1.0 . 5.47 775 718 A 4 GLU HG3 A 3 HIS HA 1.0 . 5.47 776 719 A 23 ARG HA A 46 GLU HG2 1.0 . 4.80 777 720 A 53 GLU H A 53 GLU HG3 1.0 . 3.84 778 721 A 46 GLU HA A 46 GLU HG3 1.0 . 3.61 779 722 A 4 GLU HA A 4 GLU HG2 1.0 . 3.62 780 722 A 4 GLU HA A 4 GLU HG3 1.0 . 3.62 781 723 A 4 GLU HB3 A 4 GLU HG2 1.0 . 2.58 782 723 A 4 GLU HB3 A 4 GLU HG3 1.0 . 2.58 783 724 A 4 GLU H A 4 GLU HG2 1.0 . 4.42 784 724 A 4 GLU H A 4 GLU HG3 1.0 . 4.42 785 725 A 53 GLU HA A 53 GLU HG2 1.0 . 3.69 786 726 A 53 GLU HG3 A 53 GLU HA 1.0 . 3.39 787 727 A 6 GLU HB2 A 6 GLU HG2 1.0 . 2.83 788 727 A 6 GLU HB2 A 6 GLU HG3 1.0 . 2.83 789 728 A 6 GLU H A 6 GLU HG2 1.0 . 3.63 790 728 A 6 GLU H A 6 GLU HG3 1.0 . 3.63 791 729 A 6 GLU HA A 6 GLU HG2 1.0 . 3.45 792 729 A 6 GLU HG3 A 6 GLU HA 1.0 . 3.45 793 730 A 7 PRO HD2 A 6 GLU HG2 1.0 . 5.03 794 730 A 7 PRO HD2 A 6 GLU HG3 1.0 . 5.03 795 731 A 6 GLU HB3 A 6 GLU HG2 1.0 . 2.50 796 731 A 6 GLU HG3 A 6 GLU HB3 1.0 . 2.50 797 732 A 78 ALA HA A 53 GLU HG2 1.0 . 5.50 798 733 A 49 ILE HD1% A 24 GLU HG2 1.0 . 4.15 799 733 A 49 ILE HD1% A 24 GLU HG3 1.0 . 4.15 800 734 A 23 ARG HA A 24 GLU HG2 1.0 . 4.92 801 734 A 24 GLU HG3 A 23 ARG HA 1.0 . 4.92 802 735 A 24 GLU HA A 24 GLU HG2 1.0 . 3.62 803 735 A 24 GLU HA A 24 GLU HG3 1.0 . 3.62 804 736 A 24 GLU HB2 A 24 GLU HG2 1.0 . 2.70 805 736 A 24 GLU HG3 A 24 GLU HB2 1.0 . 2.70 806 737 A 47 LYS HB3 A 24 GLU HG2 1.0 . 3.70 807 737 A 24 GLU HG3 A 47 LYS HB3 1.0 . 3.70 808 738 A 47 LYS HG3 A 24 GLU HG2 1.0 . 4.86 809 738 A 47 LYS HG3 A 24 GLU HG3 1.0 . 4.86 810 739 A 25 ILE H A 24 GLU HG2 1.0 . 4.49 811 739 A 25 ILE H A 24 GLU HG3 1.0 . 4.49 812 740 A 47 LYS H A 24 GLU HG2 1.0 . 4.80 813 740 A 47 LYS H A 24 GLU HG3 1.0 . 4.80 814 741 A 45 LEU HD2% A 24 GLU HG2 1.0 . 5.41 815 741 A 24 GLU HG3 A 45 LEU HD2% 1.0 . 5.41 816 742 A 77 GLU HA A 76 GLU HG2 1.0 . 4.93 817 743 A 76 GLU HA A 76 GLU HG2 1.0 . 3.71 818 744 A 77 GLU H A 76 GLU HG2 1.0 . 4.22 819 745 A 76 GLU HA A 76 GLU HG3 1.0 . 3.82 820 746 A 76 GLU H A 76 GLU HG2 1.0 . 4.00 821 747 A 76 GLU H A 76 GLU HG3 1.0 . 4.10 822 748 A 100 GLN H A 100 GLN HG2 1.0 . 4.09 823 748 A 100 GLN H A 100 GLN HG3 1.0 . 4.09 824 749 A 100 GLN HA A 100 GLN HG2 1.0 . 3.87 825 749 A 100 GLN HG3 A 100 GLN HA 1.0 . 3.87 826 750 A 100 GLN HB2 A 100 GLN HG2 1.0 . 2.52 827 750 A 100 GLN HG3 A 100 GLN HB2 1.0 . 2.52 828 751 A 27 VAL HA A 28 GLN HG2 1.0 . 4.95 829 751 A 28 GLN HG3 A 27 VAL HA 1.0 . 4.95 830 752 A 21 VAL H A 21 VAL HB 1.0 . 3.28 831 753 A 28 GLN H A 28 GLN HG2 1.0 . 3.43 832 753 A 28 GLN H A 28 GLN HG3 1.0 . 3.43 833 754 A 28 GLN HA A 28 GLN HG2 1.0 . 3.49 834 754 A 28 GLN HA A 28 GLN HG3 1.0 . 3.49 835 755 A 29 PRO HD2 A 28 GLN HG2 1.0 . 4.69 836 755 A 28 GLN HG3 A 29 PRO HD2 1.0 . 4.69 837 756 A 29 PRO HD3 A 28 GLN HG2 1.0 . 4.31 838 756 A 28 GLN HG3 A 29 PRO HD3 1.0 . 4.31 839 757 A 26 THR HG2% A 28 GLN HG2 1.0 . 4.29 840 757 A 26 THR HG2% A 28 GLN HG3 1.0 . 4.29 841 758 A 97 PRO HA A 98 MET HB2 1.0 . 5.12 842 759 A 23 ARG HD3 A 23 ARG HB2 1.0 . 4.01 843 760 A 44 ALA HB% A 23 ARG HB2 1.0 . 5.28 844 761 A 98 MET H A 98 MET HB2 1.0 . 3.32 845 762 A 98 MET HB3 A 75 PRO HA 1.0 . 4.25 846 763 A 99 GLU H A 98 MET HB3 1.0 . 3.31 847 764 A 49 ILE HG2% A 98 MET HB3 1.0 . 4.87 848 765 A 27 VAL H A 27 VAL HB 1.0 . 3.58 849 766 A 28 GLN H A 27 VAL HB 1.0 . 4.36 850 767 A 23 ARG H A 23 ARG HB2 1.0 . 3.90 851 768 A 47 LYS H A 23 ARG HB2 1.0 . 5.31 852 769 A 49 ILE HD1% A 24 GLU HB3 1.0 . 4.17 853 770 A 23 ARG HD3 A 23 ARG HB3 1.0 . 3.92 854 771 A 96 GLN HG2 A 71 LEU HD1% 1.0 . 3.93 855 772 A 88 TRP HD1 A 55 PRO HB2 1.0 . 3.72 856 773 A 24 GLU H A 24 GLU HB3 1.0 . 3.93 857 774 A 25 ILE H A 24 GLU HB3 1.0 . 4.14 858 775 A 96 GLN HA A 96 GLN HG3 1.0 . 4.00 859 776 A 96 GLN H A 96 GLN HG3 1.0 . 4.42 860 777 A 97 PRO HD2 A 96 GLN HG3 1.0 . 4.81 861 778 A 71 LEU HD2% A 96 GLN HG2 1.0 . 4.53 862 779 A 96 GLN HG2 A 96 GLN HA 1.0 . 4.01 863 780 A 97 PRO HD2 A 96 GLN HG2 1.0 . 4.61 864 781 A 89 GLN HB3 A 89 GLN HE21 1.0 . 4.19 865 782 A 90 THR HG2% A 89 GLN HB3 1.0 . 5.32 866 783 A 89 GLN H A 89 GLN HB2 1.0 . 3.79 867 784 A 89 GLN HB2 A 89 GLN HE22 1.0 . 4.34 868 785 A 13 LYS HB2 A 13 LYS HE2 1.0 . 4.57 869 785 A 13 LYS HB2 A 13 LYS HE3 1.0 . 4.57 870 786 A 13 LYS HB2 A 35 TYR HE% 1.0 . 4.59 871 787 A 30 ASN H A 29 PRO HB2 1.0 . 4.06 872 787 A 30 ASN H A 29 PRO HB3 1.0 . 4.06 873 788 A 57 ALA HB% A 29 PRO HB2 1.0 . 3.71 874 788 A 57 ALA HB% A 29 PRO HB3 1.0 . 3.71 875 789 A 46 GLU H A 46 GLU HB2 1.0 . 3.71 876 790 A 47 LYS H A 46 GLU HB2 1.0 . 4.50 877 791 A 47 LYS HG2 A 46 GLU HB2 1.0 . 4.44 878 792 A 47 LYS HG3 A 46 GLU HB2 1.0 . 5.05 879 793 A 13 LYS H A 13 LYS HB3 1.0 . 3.79 880 794 A 9 VAL H A 9 VAL HB 1.0 . 3.27 881 795 A 58 TYR HE% A 29 PRO HB2 1.0 . 5.10 882 795 A 58 TYR HE% A 29 PRO HB3 1.0 . 5.10 883 796 A 75 PRO HD3 A 74 VAL HB 1.0 . 3.32 884 797 A 11 MET H A 11 MET HG2 1.0 . 4.39 885 798 A 27 VAL H A 26 THR HB 1.0 . 4.84 886 799 A 31 ILE HD1% A 11 MET HG2 1.0 . 5.26 887 800 A 11 MET HG3 A 31 ILE HD1% 1.0 . 5.15 888 801 A 75 PRO HB2 A 77 GLU H 1.0 . 4.44 889 802 A 76 GLU H A 75 PRO HB2 1.0 . 4.04 890 803 A 76 GLU HA A 97 PRO HB2 1.0 . 3.46 891 803 A 76 GLU HA A 97 PRO HB3 1.0 . 3.46 892 804 A 79 LEU HD2% A 97 PRO HB2 1.0 . 4.41 893 804 A 79 LEU HD2% A 97 PRO HB3 1.0 . 4.41 894 805 A 98 MET H A 97 PRO HB2 1.0 . 3.87 895 805 A 98 MET H A 97 PRO HB3 1.0 . 3.87 896 806 A 74 VAL HG2% A 97 PRO HB2 1.0 . 5.02 897 806 A 74 VAL HG2% A 97 PRO HB3 1.0 . 5.02 898 807 A 78 ALA H A 75 PRO HB3 1.0 . 4.16 899 808 A 98 MET H A 98 MET HG3 1.0 . 3.69 900 809 A 98 MET HG3 A 75 PRO HA 1.0 . 4.18 901 810 A 98 MET HG3 A 49 ILE HG2% 1.0 . 4.42 902 811 A 76 GLU H A 98 MET HG3 1.0 . 5.04 903 812 A 98 MET HG3 A 98 MET HA 1.0 . 4.16 904 813 A 99 GLU H A 98 MET HG2 1.0 . 3.74 905 814 A 49 ILE HG2% A 98 MET HG2 1.0 . 4.54 906 815 A 38 MET HB3 A 39 PHE HD% 1.0 . 5.12 907 816 A 38 MET HB2 A 39 PHE HD% 1.0 . 4.85 908 817 A 38 MET HE% A 38 MET HB2 1.0 . 5.26 909 818 A 73 CYS HA A 96 GLN HB2 1.0 . 4.65 910 819 A 97 PRO HD3 A 96 GLN HB2 1.0 . 4.42 911 820 A 35 TYR H A 38 MET HB2 1.0 . 5.06 912 821 A 96 GLN H A 96 GLN HB3 1.0 . 4.04 913 822 A 97 PRO HD3 A 96 GLN HB3 1.0 . 4.14 914 823 A 71 LEU HD2% A 96 GLN HB3 1.0 . 5.50 915 824 A 71 LEU HD1% A 96 GLN HB3 1.0 . 4.76 916 825 A 97 PRO HD2 A 96 GLN HB3 1.0 . 3.52 917 826 A 96 GLN H A 96 GLN HB2 1.0 . 3.81 918 827 A 97 PRO HD2 A 96 GLN HB2 1.0 . 3.85 919 828 A 91 TYR HD% A 90 THR HB 1.0 . 4.90 920 829 A 35 TYR HD% A 38 MET HG3 1.0 . 4.80 921 830 A 38 MET HG2 A 39 PHE HD% 1.0 . 5.50 922 831 A 20 THR HB A 21 VAL HG1% 1.0 . 4.81 923 831 A 20 THR HB A 21 VAL HG2% 1.0 . 4.81 924 832 A 51 THR HB A 98 MET HE% 1.0 . 4.89 925 833 A 83 ARG HB2 A 83 ARG HD2 1.0 . 3.54 926 833 A 83 ARG HB2 A 83 ARG HD3 1.0 . 3.54 927 834 A 80 ASP HA A 83 ARG HB3 1.0 . 3.84 928 835 A 83 ARG H A 83 ARG HB3 1.0 . 3.83 929 836 A 83 ARG HB3 A 83 ARG HD2 1.0 . 3.68 930 836 A 83 ARG HD3 A 83 ARG HB3 1.0 . 3.68 931 837 A 44 ALA H A 43 THR HB 1.0 . 5.20 932 838 A 100 GLN H A 100 GLN HB2 1.0 . 4.11 933 839 A 84 ARG H A 84 ARG HB3 1.0 . 3.67 934 840 A 99 GLU HB3 A 99 GLU HG2 1.0 . 2.79 935 840 A 99 GLU HG3 A 99 GLU HB3 1.0 . 2.79 936 841 A 84 ARG HB2 A 84 ARG HD2 1.0 . 3.88 937 842 A 73 CYS HB3 A 49 ILE HB 1.0 . 4.78 938 843 A 81 ARG HA A 84 ARG HB2 1.0 . 4.68 939 844 A 72 ILE HA A 73 CYS HB3 1.0 . 4.73 940 845 A 74 VAL H A 73 CYS HB3 1.0 . 4.36 941 846 A 50 LEU H A 73 CYS HB3 1.0 . 4.38 942 847 A 73 CYS HB3 A 49 ILE HA 1.0 . 3.45 943 848 A 73 CYS HB3 A 49 ILE HG13 1.0 . 4.52 944 849 A 49 ILE HG13 A 73 CYS HB2 1.0 . 4.56 945 850 A 73 CYS H A 73 CYS HB2 1.0 . 3.87 946 851 A 74 VAL H A 73 CYS HB2 1.0 . 4.08 947 852 A 98 MET HB2 A 73 CYS HB2 1.0 . 4.80 948 853 A 81 ARG HB2 A 81 ARG HD3 1.0 . 4.14 949 854 A 4 GLU HB2 A 4 GLU HG2 1.0 . 2.77 950 854 A 4 GLU HB2 A 4 GLU HG3 1.0 . 2.77 951 855 A 53 GLU H A 53 GLU HB3 1.0 . 3.75 952 856 A 53 GLU HB3 A 78 ALA HB% 1.0 . 4.33 953 857 A 78 ALA HA A 81 ARG HB2 1.0 . 4.12 954 858 A 78 ALA HA A 81 ARG HB3 1.0 . 4.33 955 859 A 81 ARG HB3 A 81 ARG HD3 1.0 . 4.19 956 860 A 47 LYS HD3 A 49 ILE HD1% 1.0 . 4.63 957 861 A 47 LYS HA A 47 LYS HD2 1.0 . 5.08 958 862 A 72 ILE HB A 94 TRP HB3 1.0 . 4.93 959 863 A 49 ILE HD1% A 47 LYS HD2 1.0 . 4.58 960 864 A 70 PHE H A 65 ARG HG3 1.0 . 4.78 961 865 A 91 TYR HD% A 65 ARG HG2 1.0 . 4.85 962 866 A 91 TYR HE% A 65 ARG HG2 1.0 . 5.36 963 867 A 94 TRP H A 94 TRP HB2 1.0 . 4.09 964 868 A 72 ILE H A 94 TRP HB2 1.0 . 4.37 965 869 A 95 ILE H A 94 TRP HB2 1.0 . 4.92 966 870 A 72 ILE H A 94 TRP HB3 1.0 . 4.76 967 871 A 95 ILE H A 94 TRP HB3 1.0 . 4.82 968 872 A 76 GLU HB2 A 77 GLU H 1.0 . 4.06 969 873 A 6 GLU H A 6 GLU HB3 1.0 . 3.91 970 874 A 6 GLU HB2 A 7 PRO HD3 1.0 . 4.29 971 875 A 72 ILE HB A 94 TRP HB2 1.0 . 4.67 972 876 A 94 TRP HB2 A 72 ILE HD1% 1.0 . 4.75 973 877 A 94 TRP HB3 A 72 ILE HD1% 1.0 . 4.60 974 878 A 83 ARG H A 83 ARG HG2 1.0 . 3.79 975 879 A 95 ILE HG2% A 83 ARG HG2 1.0 . 4.31 976 880 A 74 VAL HA A 75 PRO HG3 1.0 . 5.00 977 881 A 83 ARG H A 83 ARG HG3 1.0 . 4.18 978 882 A 92 ALA HA A 83 ARG HG3 1.0 . 4.12 979 883 A 82 TYR HB3 A 88 TRP HB2 1.0 . 4.47 980 883 A 88 TRP HB3 A 82 TYR HB3 1.0 . 4.47 981 884 A 89 GLN HA A 88 TRP HB2 1.0 . 4.51 982 884 A 88 TRP HB3 A 89 GLN HA 1.0 . 4.51 983 885 A 85 ASP HB3 A 88 TRP HB2 1.0 . 3.41 984 885 A 88 TRP HB3 A 85 ASP HB3 1.0 . 3.41 985 886 A 78 ALA H A 77 GLU HB2 1.0 . 4.68 986 887 A 77 GLU H A 77 GLU HB2 1.0 . 3.34 987 888 A 78 ALA H A 77 GLU HB3 1.0 . 4.29 988 889 A 74 VAL HA A 75 PRO HG2 1.0 . 4.93 989 890 A 72 ILE HA A 72 ILE HG13 1.0 . 3.84 990 891 A 71 LEU HA A 72 ILE HG13 1.0 . 4.82 991 892 A 65 ARG HB2 A 65 ARG HD2 1.0 . 4.22 992 892 A 65 ARG HD3 A 65 ARG HB2 1.0 . 4.22 993 893 A 48 LEU HB2 A 72 ILE HG12 1.0 . 3.98 994 894 A 72 ILE HG12 A 64 LEU HD1% 1.0 . 3.90 995 895 A 50 LEU HD1% A 72 ILE HG12 1.0 . 5.26 996 896 A 72 ILE H A 72 ILE HG13 1.0 . 3.82 997 897 A 72 ILE HG2% A 72 ILE HG13 1.0 . 3.98 998 898 A 70 PHE HD% A 72 ILE HG13 1.0 . 3.91 999 899 A 72 ILE HG12 A 72 ILE H 1.0 . 3.95 1000 900 A 72 ILE HA A 72 ILE HG12 1.0 . 3.62 1001 901 A 48 LEU HB3 A 72 ILE HG13 1.0 . 4.81 1002 902 A 49 ILE H A 49 ILE HG13 1.0 . 3.71 1003 903 A 26 THR HA A 49 ILE HG13 1.0 . 4.80 1004 904 A 49 ILE HG13 A 48 LEU HA 1.0 . 4.50 1005 905 A 47 LYS HD3 A 49 ILE HG13 1.0 . 4.14 1006 906 A 73 CYS HB3 A 49 ILE HG12 1.0 . 4.39 1007 907 A 49 ILE H A 49 ILE HG12 1.0 . 4.92 1008 908 A 50 LEU H A 49 ILE HG12 1.0 . 4.95 1009 909 A 49 ILE HA A 49 ILE HG12 1.0 . 3.94 1010 910 A 95 ILE HG12 A 94 TRP H 1.0 . 4.61 1011 911 A 95 ILE H A 95 ILE HG12 1.0 . 3.95 1012 912 A 95 ILE HG12 A 92 ALA HA 1.0 . 4.07 1013 913 A 72 ILE HB A 95 ILE HG12 1.0 . 4.18 1014 914 A 91 TYR HB2 A 95 ILE HG12 1.0 . 5.15 1015 915 A 23 ARG H A 22 ILE HG12 1.0 . 4.15 1016 916 A 24 GLU H A 22 ILE HG12 1.0 . 4.40 1017 917 A 22 ILE H A 22 ILE HG12 1.0 . 4.58 1018 918 A 45 LEU HD2% A 22 ILE HG12 1.0 . 4.74 1019 919 A 31 ILE HG13 A 13 LYS HE2 1.0 . 4.85 1020 919 A 13 LYS HE3 A 31 ILE HG13 1.0 . 4.85 1021 920 A 31 ILE HA A 31 ILE HG12 1.0 . 4.13 1022 921 A 31 ILE HG12 A 13 LYS HE2 1.0 . 4.97 1023 921 A 13 LYS HE3 A 31 ILE HG12 1.0 . 4.97 1024 922 A 95 ILE HA A 95 ILE HG13 1.0 . 3.92 1025 923 A 92 ALA HA A 95 ILE HG13 1.0 . 4.87 1026 924 A 72 ILE HB A 95 ILE HG13 1.0 . 3.76 1027 925 A 72 ILE HG2% A 95 ILE HG13 1.0 . 4.67 1028 926 A 74 VAL HG1% A 95 ILE HG13 1.0 . 5.50 1029 927 A 95 ILE H A 95 ILE HG13 1.0 . 4.57 1030 928 A 28 GLN H A 28 GLN HB3 1.0 . 3.57 1031 929 A 32 GLY H A 31 ILE HG12 1.0 . 5.28 1032 930 A 22 ILE HA A 22 ILE HG12 1.0 . 3.58 1033 931 A 26 THR H A 25 ILE HG12 1.0 . 4.93 1034 932 A 25 ILE H A 25 ILE HG13 1.0 . 4.71 1035 933 A 90 THR H A 89 GLN HG3 1.0 . 5.50 1036 934 A 30 ASN H A 29 PRO HG3 1.0 . 5.01 1037 935 A 52 GLY HA3 A 29 PRO HG3 1.0 . 4.55 1038 936 A 23 ARG H A 23 ARG HG3 1.0 . 4.18 1039 937 A 24 GLU H A 23 ARG HG3 1.0 . 5.11 1040 938 A 23 ARG HA A 23 ARG HG3 1.0 . 4.18 1041 939 A 44 ALA HB% A 23 ARG HG3 1.0 . 4.81 1042 940 A 84 ARG H A 84 ARG HG3 1.0 . 3.91 1043 941 A 84 ARG HA A 84 ARG HG3 1.0 . 3.75 1044 942 A 23 ARG HG2 A 23 ARG H 1.0 . 4.25 1045 943 A 23 ARG HG2 A 23 ARG HA 1.0 . 3.83 1046 944 A 81 ARG HA A 84 ARG HG2 1.0 . 5.33 1047 945 A 84 ARG H A 84 ARG HG2 1.0 . 3.94 1048 946 A 84 ARG HA A 84 ARG HG2 1.0 . 3.68 1049 947 A 25 ILE H A 25 ILE HG12 1.0 . 4.40 1050 948 A 25 ILE HG12 A 25 ILE HA 1.0 . 3.91 1051 949 A 34 LEU H A 59 SER HB2 1.0 . 4.74 1052 950 A 59 SER H A 59 SER HB2 1.0 . 3.93 1053 951 A 60 ALA H A 59 SER HB2 1.0 . 3.89 1054 952 A 33 LEU HA A 59 SER HB2 1.0 . 3.99 1055 953 A 33 LEU HD1% A 59 SER HB2 1.0 . 5.09 1056 954 A 59 SER H A 59 SER HB3 1.0 . 3.81 1057 955 A 60 ALA H A 59 SER HB3 1.0 . 3.90 1058 956 A 33 LEU HA A 59 SER HB3 1.0 . 4.06 1059 957 A 34 LEU H A 59 SER HB3 1.0 . 4.49 1060 958 A 22 ILE HB A 7 PRO HG2 1.0 . 5.00 1061 958 A 22 ILE HB A 7 PRO HG3 1.0 . 5.00 1062 959 A 22 ILE HD1% A 7 PRO HG2 1.0 . 5.32 1063 959 A 22 ILE HD1% A 7 PRO HG3 1.0 . 5.32 1064 960 A 8 VAL H A 7 PRO HG2 1.0 . 5.49 1065 960 A 8 VAL H A 7 PRO HG3 1.0 . 5.49 1066 961 A 57 ALA HB% A 29 PRO HG3 1.0 . 4.59 1067 962 A 28 GLN HA A 29 PRO HG2 1.0 . 4.58 1068 963 A 58 TYR HE% A 29 PRO HG2 1.0 . 5.13 1069 964 A 52 GLY HA2 A 29 PRO HG2 1.0 . 4.21 1070 965 A 57 ALA HB% A 29 PRO HG2 1.0 . 4.74 1071 966 A 78 ALA HA A 81 ARG HG3 1.0 . 4.75 1072 967 A 64 LEU H A 64 LEU HG 1.0 . 5.34 1073 968 A 83 ARG H A 84 ARG HG2 1.0 . 5.50 1074 969 A 55 PRO HG3 A 81 ARG HG2 1.0 . 4.93 1075 970 A 82 TYR H A 81 ARG HG2 1.0 . 5.32 1076 971 A 7 PRO HG2 A 8 VAL HG1% 1.0 . 4.95 1077 971 A 7 PRO HG3 A 8 VAL HG1% 1.0 . 4.95 1078 971 A 8 VAL HG2% A 7 PRO HG2 1.0 . 4.95 1079 971 A 8 VAL HG2% A 7 PRO HG3 1.0 . 4.95 1080 972 A 81 ARG H A 81 ARG HG3 1.0 . 4.27 1081 973 A 23 ARG HG2 A 45 LEU H 1.0 . 5.50 1082 974 A 81 ARG H A 81 ARG HG2 1.0 . 4.43 1083 975 A 45 LEU HD1% A 42 CYS HA 1.0 . 4.49 1084 976 A 45 LEU HD1% A 45 LEU HA 1.0 . 4.46 1085 977 A 45 LEU HB3 A 45 LEU HD1% 1.0 . 3.53 1086 978 A 96 GLN HA A 97 PRO HG3 1.0 . 5.50 1087 979 A 48 LEU HG A 48 LEU HA 1.0 . 4.11 1088 980 A 48 LEU HG A 50 LEU HD2% 1.0 . 4.22 1089 981 A 50 LEU HD1% A 48 LEU HG 1.0 . 4.96 1090 982 A 46 GLU H A 45 LEU HD1% 1.0 . 5.15 1091 983 A 45 LEU HD1% A 39 PHE HA 1.0 . 4.93 1092 984 A 45 LEU HD1% A 70 PHE HB2 1.0 . 4.24 1093 985 A 45 LEU HB2 A 45 LEU HD1% 1.0 . 3.51 1094 986 A 79 LEU HD1% A 97 PRO HG2 1.0 . 4.42 1095 987 A 79 LEU HD2% A 97 PRO HG2 1.0 . 5.37 1096 988 A 79 LEU HD2% A 97 PRO HG3 1.0 . 4.88 1097 989 A 79 LEU HD1% A 97 PRO HG3 1.0 . 4.14 1098 990 A 49 ILE H A 48 LEU HG 1.0 . 4.24 1099 991 A 71 LEU HA A 71 LEU HG 1.0 . 4.27 1100 992 A 35 TYR H A 33 LEU HG 1.0 . 5.04 1101 993 A 60 ALA HA A 33 LEU HG 1.0 . 4.71 1102 994 A 34 LEU H A 33 LEU HG 1.0 . 4.23 1103 995 A 33 LEU HG A 35 TYR HB3 1.0 . 4.35 1104 996 A 70 PHE HD% A 45 LEU HG 1.0 . 4.69 1105 997 A 45 LEU HG A 70 PHE HB2 1.0 . 3.74 1106 998 A 46 GLU H A 45 LEU HG 1.0 . 4.66 1107 999 A 45 LEU HB3 A 45 LEU HG 1.0 . 2.77 1108 1000 A 79 LEU HG A 83 ARG HD2 1.0 . 4.47 1109 1000 A 83 ARG HD3 A 79 LEU HG 1.0 . 4.47 1110 1001 A 80 ASP H A 79 LEU HG 1.0 . 4.46 1111 1002 A 80 ASP HA A 79 LEU HG 1.0 . 4.90 1112 1003 A 74 VAL HG2% A 79 LEU HG 1.0 . 5.48 1113 1004 A 83 ARG H A 79 LEU HG 1.0 . 5.12 1114 1005 A 79 LEU HG A 79 LEU HA 1.0 . 3.87 1115 1006 A 49 ILE HA A 50 LEU HG 1.0 . 5.14 1116 1007 A 15 LEU H A 15 LEU HG 1.0 . 3.77 1117 1008 A 15 LEU HG A 15 LEU HA 1.0 . 4.10 1118 1009 A 27 VAL HB A 50 LEU HG 1.0 . 4.96 1119 1010 A 50 LEU H A 50 LEU HG 1.0 . 3.76 1120 1011 A 45 LEU H A 43 THR HA 1.0 . 4.50 1121 1012 A 43 THR HB A 43 THR HA 1.0 . 2.96 1122 1013 A 42 CYS HB2 A 45 LEU HB2 1.0 . 3.91 1123 1014 A 45 LEU HB3 A 42 CYS HB2 1.0 . 3.62 1124 1015 A 42 CYS HB2 A 45 LEU H 1.0 . 4.30 1125 1016 A 42 CYS HB2 A 45 LEU HD1% 1.0 . 4.29 1126 1017 A 45 LEU HD1% A 42 CYS HB3 1.0 . 4.32 1127 1018 A 45 LEU H A 42 CYS HB3 1.0 . 4.50 1128 1019 A 45 LEU HB3 A 42 CYS HB3 1.0 . 4.02 1129 1020 A 34 LEU H A 34 LEU HG 1.0 . 3.70 1130 1021 A 64 LEU H A 64 LEU HD1% 1.0 . 4.63 1131 1022 A 64 LEU HD1% A 64 LEU HA 1.0 . 4.58 1132 1023 A 64 LEU HB2 A 64 LEU HD1% 1.0 . 3.73 1133 1024 A 64 LEU HD1% A 48 LEU HD2% 1.0 . 5.50 1134 1025 A 60 ALA HA A 34 LEU HG 1.0 . 4.68 1135 1026 A 34 LEU H A 34 LEU HD1% 1.0 . 3.91 1136 1027 A 15 LEU H A 14 SER HB3 1.0 . 4.95 1137 1028 A 59 SER H A 34 LEU HD1% 1.0 . 5.11 1138 1029 A 58 TYR HD% A 34 LEU HD1% 1.0 . 3.98 1139 1030 A 60 ALA HA A 34 LEU HD1% 1.0 . 4.10 1140 1031 A 34 LEU HD1% A 34 LEU HA 1.0 . 4.20 1141 1032 A 34 LEU HD1% A 48 LEU HD1% 1.0 . 4.42 1142 1033 A 34 LEU HD1% A 48 LEU HD2% 1.0 . 4.79 1143 1034 A 50 LEU HD2% A 34 LEU HD1% 1.0 . 4.30 1144 1035 A 50 LEU HD1% A 34 LEU HD1% 1.0 . 5.04 1145 1036 A 55 PRO HA A 58 TYR HB3 1.0 . 4.91 1146 1037 A 84 ARG H A 82 TYR HA 1.0 . 5.14 1147 1038 A 34 LEU HB3 A 34 LEU HD1% 1.0 . 3.33 1148 1039 A 80 ASP H A 79 LEU HD1% 1.0 . 4.47 1149 1040 A 79 LEU H A 79 LEU HD1% 1.0 . 4.19 1150 1041 A 97 PRO HA A 79 LEU HD1% 1.0 . 4.40 1151 1042 A 97 PRO HD2 A 79 LEU HD1% 1.0 . 4.09 1152 1043 A 79 LEU HD1% A 79 LEU HA 1.0 . 3.79 1153 1044 A 97 PRO HD3 A 79 LEU HD1% 1.0 . 3.56 1154 1045 A 79 LEU HD1% A 83 ARG HD2 1.0 . 4.67 1155 1045 A 83 ARG HD3 A 79 LEU HD1% 1.0 . 4.67 1156 1046 A 79 LEU HB2 A 79 LEU HD1% 1.0 . 3.27 1157 1047 A 74 VAL HG2% A 79 LEU HD1% 1.0 . 5.29 1158 1048 A 49 ILE H A 48 LEU HD1% 1.0 . 4.92 1159 1049 A 48 LEU H A 48 LEU HD1% 1.0 . 5.17 1160 1050 A 70 PHE HE% A 48 LEU HD1% 1.0 . 4.11 1161 1051 A 48 LEU HD1% A 72 ILE HG13 1.0 . 4.66 1162 1052 A 64 LEU HD1% A 48 LEU HD1% 1.0 . 4.04 1163 1053 A 55 PRO HA A 88 TRP HD1 1.0 . 5.33 1164 1054 A 85 ASP H A 82 TYR HA 1.0 . 4.31 1165 1055 A 82 TYR HA A 88 TRP HB2 1.0 . 4.52 1166 1055 A 88 TRP HB3 A 82 TYR HA 1.0 . 4.52 1167 1056 A 55 PRO HB3 A 82 TYR HA 1.0 . 4.11 1168 1057 A 55 PRO HG2 A 82 TYR HA 1.0 . 3.82 1169 1058 A 95 ILE HD1% A 82 TYR HA 1.0 . 5.30 1170 1059 A 55 PRO HG3 A 82 TYR HA 1.0 . 3.83 1171 1060 A 85 ASP HB2 A 55 PRO HG2 1.0 . 4.18 1172 1061 A 54 ASP HA A 55 PRO HG2 1.0 . 4.53 1173 1062 A 96 GLN HA A 79 LEU HD1% 1.0 . 4.10 1174 1063 A 72 ILE HA A 48 LEU HD1% 1.0 . 4.82 1175 1064 A 48 LEU HD1% A 48 LEU HA 1.0 . 4.26 1176 1065 A 48 LEU HB2 A 48 LEU HD1% 1.0 . 3.60 1177 1066 A 50 LEU HD2% A 48 LEU HD1% 1.0 . 4.54 1178 1067 A 50 LEU HD1% A 48 LEU HD1% 1.0 . 5.05 1179 1068 A 85 ASP HB2 A 55 PRO HG3 1.0 . 4.70 1180 1069 A 77 GLU H A 75 PRO HA 1.0 . 4.39 1181 1070 A 76 GLU H A 75 PRO HA 1.0 . 2.73 1182 1071 A 98 MET H A 75 PRO HA 1.0 . 4.12 1183 1072 A 13 LYS HG3 A 13 LYS HE2 1.0 . 4.19 1184 1072 A 13 LYS HG3 A 13 LYS HE3 1.0 . 4.19 1185 1073 A 13 LYS H A 13 LYS HG2 1.0 . 4.09 1186 1074 A 47 LYS HA A 47 LYS HG2 1.0 . 4.17 1187 1075 A 71 LEU HD1% A 96 GLN HE22 1.0 . 5.11 1188 1076 A 35 TYR H A 33 LEU HD1% 1.0 . 4.90 1189 1077 A 60 ALA HA A 33 LEU HD1% 1.0 . 5.50 1190 1078 A 33 LEU HD1% A 33 LEU HA 1.0 . 4.50 1191 1079 A 35 TYR HB2 A 33 LEU HD1% 1.0 . 4.37 1192 1080 A 33 LEU HB2 A 33 LEU HD1% 1.0 . 3.25 1193 1081 A 33 LEU H A 33 LEU HD1% 1.0 . 4.59 1194 1082 A 33 LEU HD1% A 35 TYR HA 1.0 . 4.04 1195 1083 A 98 MET HA A 75 PRO HA 1.0 . 5.24 1196 1084 A 98 MET HB2 A 75 PRO HA 1.0 . 3.58 1197 1085 A 76 GLU HA A 75 PRO HA 1.0 . 4.61 1198 1086 A 47 LYS H A 47 LYS HG2 1.0 . 4.69 1199 1087 A 71 LEU HD1% A 71 LEU H 1.0 . 4.46 1200 1088 A 71 LEU HD1% A 47 LYS HE3 1.0 . 4.51 1201 1089 A 71 LEU HD1% A 96 GLN HG3 1.0 . 3.81 1202 1090 A 71 LEU HD1% A 71 LEU HB2 1.0 . 3.24 1203 1091 A 71 LEU HD1% A 71 LEU HB3 1.0 . 3.61 1204 1092 A 71 LEU HD1% A 94 TRP HA 1.0 . 5.34 1205 1093 A 7 PRO HA A 8 VAL HG1% 1.0 . 4.91 1206 1093 A 8 VAL HG2% A 7 PRO HA 1.0 . 4.91 1207 1094 A 29 PRO HA A 30 ASN H 1.0 . 3.02 1208 1095 A 29 PRO HA A 28 GLN HA 1.0 . 4.39 1209 1096 A 29 PRO HA A 30 ASN HA 1.0 . 4.61 1210 1097 A 8 VAL H A 7 PRO HA 1.0 . 2.71 1211 1098 A 57 ALA H A 56 SER HB2 1.0 . 4.69 1212 1098 A 57 ALA H A 56 SER HB3 1.0 . 4.69 1213 1099 A 10 GLY HA2 A 9 VAL HA 1.0 . 4.44 1214 1100 A 12 ASP HB2 A 15 LEU HD2% 1.0 . 3.62 1215 1101 A 10 GLY H A 9 VAL HA 1.0 . 2.88 1216 1102 A 16 PHE HZ A 9 VAL HA 1.0 . 3.92 1217 1103 A 41 GLY H A 40 SER HB2 1.0 . 4.47 1218 1103 A 41 GLY H A 40 SER HB3 1.0 . 4.47 1219 1104 A 15 LEU HD2% A 15 LEU HA 1.0 . 4.02 1220 1105 A 12 ASP H A 15 LEU HD2% 1.0 . 4.85 1221 1106 A 20 THR HA A 21 VAL H 1.0 . 3.32 1222 1107 A 20 THR HA A 43 THR H 1.0 . 3.51 1223 1108 A 20 THR HA A 42 CYS HA 1.0 . 2.98 1224 1109 A 50 LEU H A 51 THR HA 1.0 . 5.02 1225 1110 A 28 GLN HA A 51 THR HA 1.0 . 4.86 1226 1111 A 49 ILE HG2% A 51 THR HA 1.0 . 4.34 1227 1112 A 23 ARG H A 22 ILE HA 1.0 . 2.65 1228 1113 A 24 GLU H A 22 ILE HA 1.0 . 3.63 1229 1114 A 22 ILE HA A 23 ARG HG3 1.0 . 5.01 1230 1115 A 22 ILE HG13 A 22 ILE HA 1.0 . 3.54 1231 1116 A 21 VAL HA A 21 VAL HG1% 1.0 . 3.16 1232 1116 A 21 VAL HG2% A 21 VAL HA 1.0 . 3.16 1233 1117 A 49 ILE H A 48 LEU HD2% 1.0 . 3.82 1234 1118 A 48 LEU H A 48 LEU HD2% 1.0 . 4.97 1235 1119 A 25 ILE H A 48 LEU HD2% 1.0 . 4.63 1236 1120 A 70 PHE HE% A 48 LEU HD2% 1.0 . 4.02 1237 1121 A 48 LEU HA A 48 LEU HD2% 1.0 . 3.26 1238 1122 A 27 VAL HB A 48 LEU HD2% 1.0 . 4.87 1239 1123 A 79 LEU H A 79 LEU HD2% 1.0 . 4.31 1240 1124 A 79 LEU HD2% A 96 GLN HA 1.0 . 3.54 1241 1125 A 79 LEU HD2% A 74 VAL HG1% 1.0 . 5.06 1242 1126 A 91 TYR HD% A 88 TRP HA 1.0 . 4.07 1243 1127 A 90 THR H A 88 TRP HA 1.0 . 4.66 1244 1128 A 87 PHE HD% A 88 TRP HA 1.0 . 4.13 1245 1129 A 85 ASP HB3 A 88 TRP HA 1.0 . 4.56 1246 1130 A 95 ILE HD1% A 88 TRP HA 1.0 . 4.95 1247 1131 A 79 LEU HD2% A 80 ASP H 1.0 . 4.99 1248 1132 A 74 VAL H A 79 LEU HD2% 1.0 . 4.94 1249 1133 A 97 PRO HA A 79 LEU HD2% 1.0 . 3.92 1250 1134 A 79 LEU HD2% A 79 LEU HA 1.0 . 3.15 1251 1135 A 97 PRO HD3 A 79 LEU HD2% 1.0 . 3.80 1252 1136 A 74 VAL HG2% A 79 LEU HD2% 1.0 . 3.51 1253 1137 A 50 LEU H A 50 LEU HD1% 1.0 . 4.46 1254 1138 A 58 TYR HE% A 50 LEU HD1% 1.0 . 4.70 1255 1139 A 50 LEU HD1% A 50 LEU HA 1.0 . 4.25 1256 1140 A 50 LEU HD1% A 72 ILE HB 1.0 . 5.03 1257 1141 A 50 LEU HB3 A 50 LEU HD1% 1.0 . 3.32 1258 1142 A 97 PRO HA A 96 GLN HB2 1.0 . 4.91 1259 1143 A 50 LEU HD1% A 27 VAL HB 1.0 . 4.83 1260 1144 A 50 LEU HD1% A 48 LEU HD2% 1.0 . 4.98 1261 1145 A 26 THR HA A 27 VAL H 1.0 . 2.94 1262 1146 A 26 THR HA A 49 ILE HB 1.0 . 3.10 1263 1147 A 26 THR HA A 49 ILE HD1% 1.0 . 4.07 1264 1148 A 97 PRO HA A 98 MET H 1.0 . 2.73 1265 1149 A 97 PRO HA A 76 GLU HA 1.0 . 3.88 1266 1150 A 74 VAL H A 97 PRO HA 1.0 . 3.55 1267 1151 A 64 LEU H A 64 LEU HD2% 1.0 . 4.52 1268 1152 A 39 PHE HD% A 64 LEU HD2% 1.0 . 3.81 1269 1153 A 64 LEU HD2% A 39 PHE HE% 1.0 . 4.24 1270 1154 A 64 LEU HA A 64 LEU HD2% 1.0 . 3.20 1271 1155 A 64 LEU HB2 A 64 LEU HD2% 1.0 . 3.71 1272 1156 A 64 LEU HB3 A 64 LEU HD2% 1.0 . 3.56 1273 1157 A 48 LEU HD1% A 64 LEU HD2% 1.0 . 4.13 1274 1158 A 48 LEU HD2% A 64 LEU HD2% 1.0 . 5.02 1275 1159 A 74 VAL HG2% A 97 PRO HA 1.0 . 3.81 1276 1160 A 34 LEU H A 34 LEU HD2% 1.0 . 4.15 1277 1161 A 58 TYR HD% A 34 LEU HD2% 1.0 . 5.18 1278 1162 A 34 LEU HD2% A 34 LEU HA 1.0 . 3.15 1279 1163 A 34 LEU HD2% A 64 LEU HD1% 1.0 . 3.86 1280 1164 A 34 LEU HD2% A 48 LEU HD1% 1.0 . 5.31 1281 1165 A 34 LEU HD2% A 48 LEU HD2% 1.0 . 5.17 1282 1166 A 89 GLN HE22 A 86 TYR HA 1.0 . 3.46 1283 1167 A 86 TYR HA A 89 GLN HE21 1.0 . 3.89 1284 1168 A 89 GLN HB3 A 86 TYR HA 1.0 . 4.35 1285 1169 A 35 TYR HA A 33 LEU HD2% 1.0 . 4.33 1286 1170 A 33 LEU HD2% A 59 SER HB2 1.0 . 3.81 1287 1171 A 33 LEU HD2% A 59 SER HB3 1.0 . 3.92 1288 1172 A 33 LEU HD2% A 35 TYR HB3 1.0 . 4.91 1289 1173 A 9 VAL H A 8 VAL HA 1.0 . 2.93 1290 1174 A 9 VAL HA A 8 VAL HA 1.0 . 4.38 1291 1175 A 26 THR HA A 49 ILE HA 1.0 . 4.90 1292 1176 A 71 LEU HD2% A 72 ILE H 1.0 . 4.06 1293 1177 A 71 LEU HD2% A 94 TRP H 1.0 . 5.01 1294 1178 A 71 LEU HD2% A 71 LEU HA 1.0 . 3.07 1295 1179 A 71 LEU HD2% A 94 TRP HA 1.0 . 3.45 1296 1180 A 71 LEU HD2% A 94 TRP HB2 1.0 . 3.69 1297 1181 A 71 LEU HD2% A 94 TRP HB3 1.0 . 4.32 1298 1182 A 71 LEU HD2% A 96 GLN HG3 1.0 . 4.35 1299 1183 A 15 LEU H A 15 LEU HD1% 1.0 . 4.29 1300 1184 A 12 ASP HB2 A 15 LEU HD1% 1.0 . 4.60 1301 1185 A 12 ASP HB3 A 15 LEU HD1% 1.0 . 5.15 1302 1186 A 34 LEU H A 33 LEU HD2% 1.0 . 3.37 1303 1187 A 33 LEU H A 33 LEU HD2% 1.0 . 4.54 1304 1188 A 60 ALA H A 33 LEU HD2% 1.0 . 4.25 1305 1189 A 33 LEU HA A 33 LEU HD2% 1.0 . 3.17 1306 1190 A 34 LEU HB2 A 33 LEU HD2% 1.0 . 4.55 1307 1191 A 46 GLU H A 45 LEU HD2% 1.0 . 3.46 1308 1192 A 25 ILE H A 45 LEU HD2% 1.0 . 3.66 1309 1193 A 45 LEU HD2% A 24 GLU H 1.0 . 4.16 1310 1194 A 47 LYS H A 45 LEU HD2% 1.0 . 3.51 1311 1195 A 24 GLU HA A 45 LEU HD2% 1.0 . 3.33 1312 1196 A 45 LEU HD2% A 45 LEU HA 1.0 . 3.17 1313 1197 A 45 LEU HD2% A 70 PHE HB2 1.0 . 4.37 1314 1198 A 45 LEU HD2% A 25 ILE HG12 1.0 . 3.12 1315 1199 A 9 VAL HG1% A 27 VAL HA 1.0 . 4.46 1316 1200 A 50 LEU H A 49 ILE HA 1.0 . 2.91 1317 1201 A 72 ILE HA A 49 ILE HA 1.0 . 4.74 1318 1202 A 49 ILE HG13 A 49 ILE HA 1.0 . 3.82 1319 1203 A 73 CYS H A 49 ILE HA 1.0 . 3.55 1320 1204 A 48 LEU H A 49 ILE HA 1.0 . 4.92 1321 1205 A 28 GLN H A 27 VAL HA 1.0 . 2.87 1322 1206 A 83 ARG HA A 83 ARG HG3 1.0 . 3.53 1323 1207 A 95 ILE HD1% A 83 ARG HA 1.0 . 4.19 1324 1208 A 76 GLU HA A 75 PRO HB3 1.0 . 5.10 1325 1209 A 79 LEU H A 76 GLU HA 1.0 . 4.00 1326 1210 A 76 GLU HB2 A 76 GLU HA 1.0 . 2.89 1327 1211 A 76 GLU HB3 A 76 GLU HA 1.0 . 2.89 1328 1212 A 79 LEU HB3 A 76 GLU HA 1.0 . 3.50 1329 1213 A 74 VAL HG2% A 76 GLU HA 1.0 . 4.88 1330 1214 A 78 ALA H A 76 GLU HA 1.0 . 4.34 1331 1215 A 60 ALA HB% A 61 GLY H 1.0 . 3.22 1332 1216 A 60 ALA HB% A 60 ALA H 1.0 . 3.59 1333 1217 A 34 LEU HB2 A 60 ALA HB% 1.0 . 3.29 1334 1218 A 60 ALA HB% A 34 LEU HD1% 1.0 . 3.32 1335 1219 A 60 ALA HB% A 64 LEU HD1% 1.0 . 3.77 1336 1220 A 28 GLN H A 27 VAL HG1% 1.0 . 3.79 1337 1221 A 58 TYR HD% A 27 VAL HG1% 1.0 . 3.98 1338 1222 A 27 VAL HA A 27 VAL HG1% 1.0 . 3.22 1339 1223 A 9 VAL HB A 27 VAL HG1% 1.0 . 3.65 1340 1224 A 48 LEU HD2% A 27 VAL HG1% 1.0 . 5.09 1341 1225 A 50 LEU HD2% A 27 VAL HG1% 1.0 . 4.39 1342 1226 A 50 LEU HD1% A 27 VAL HG1% 1.0 . 5.50 1343 1227 A 27 VAL H A 27 VAL HG1% 1.0 . 4.51 1344 1228 A 52 GLY H A 51 THR HG2% 1.0 . 4.61 1345 1229 A 28 GLN HE22 A 51 THR HG2% 1.0 . 5.13 1346 1230 A 51 THR H A 51 THR HG2% 1.0 . 3.24 1347 1231 A 28 GLN HA A 51 THR HG2% 1.0 . 3.47 1348 1232 A 51 THR HG2% A 50 LEU HA 1.0 . 4.27 1349 1233 A 51 THR HG2% A 51 THR HA 1.0 . 3.11 1350 1234 A 51 THR HG2% A 28 GLN HG2 1.0 . 4.48 1351 1234 A 28 GLN HG3 A 51 THR HG2% 1.0 . 4.48 1352 1235 A 49 ILE HG2% A 51 THR HG2% 1.0 . 3.56 1353 1236 A 26 THR HA A 51 THR HG2% 1.0 . 5.42 1354 1237 A 96 GLN H A 95 ILE HA 1.0 . 2.91 1355 1238 A 95 ILE HG12 A 95 ILE HA 1.0 . 3.90 1356 1239 A 72 ILE HB A 95 ILE HA 1.0 . 3.31 1357 1240 A 72 ILE H A 95 ILE HA 1.0 . 3.94 1358 1241 A 76 GLU HA A 79 LEU HD1% 1.0 . 4.90 1359 1242 A 27 VAL H A 51 THR HG2% 1.0 . 4.39 1360 1243 A 96 GLN HA A 95 ILE HA 1.0 . 4.73 1361 1244 A 44 ALA H A 43 THR HG2% 1.0 . 5.15 1362 1245 A 43 THR HG2% A 43 THR HA 1.0 . 3.04 1363 1246 A 43 THR H A 43 THR HG2% 1.0 . 3.16 1364 1247 A 56 SER HA A 56 SER HB2 1.0 . 2.73 1365 1247 A 56 SER HB3 A 56 SER HA 1.0 . 2.73 1366 1248 A 58 TYR H A 56 SER HA 1.0 . 3.87 1367 1249 A 87 PHE HA A 87 PHE HE% 1.0 . 5.31 1368 1250 A 87 PHE HD% A 87 PHE HA 1.0 . 3.61 1369 1251 A 44 ALA H A 20 THR HG2% 1.0 . 5.01 1370 1252 A 31 ILE HB A 31 ILE HA 1.0 . 3.01 1371 1253 A 31 ILE HG13 A 31 ILE HA 1.0 . 3.68 1372 1254 A 31 ILE HG2% A 31 ILE HA 1.0 . 3.10 1373 1255 A 32 GLY H A 31 ILE HA 1.0 . 3.53 1374 1256 A 20 THR H A 20 THR HG2% 1.0 . 3.22 1375 1257 A 43 THR H A 20 THR HG2% 1.0 . 3.58 1376 1258 A 20 THR HA A 20 THR HG2% 1.0 . 3.12 1377 1259 A 20 THR HG2% A 18 GLY HA2 1.0 . 4.98 1378 1260 A 27 VAL HA A 9 VAL HG2% 1.0 . 4.80 1379 1261 A 10 GLY H A 9 VAL HG2% 1.0 . 3.83 1380 1262 A 9 VAL HG2% A 16 PHE HE1 1.0 . 4.63 1381 1263 A 9 VAL HA A 9 VAL HG2% 1.0 . 3.39 1382 1264 A 9 VAL HG2% A 13 LYS HE2 1.0 . 3.97 1383 1264 A 13 LYS HE3 A 9 VAL HG2% 1.0 . 3.97 1384 1265 A 38 MET HE% A 9 VAL HG2% 1.0 . 4.43 1385 1266 A 13 LYS HG2 A 9 VAL HG2% 1.0 . 3.96 1386 1267 A 27 VAL HG1% A 9 VAL HG2% 1.0 . 4.05 1387 1268 A 41 GLY H A 68 ALA HB% 1.0 . 4.54 1388 1269 A 69 ASP H A 68 ALA HB% 1.0 . 3.08 1389 1270 A 68 ALA H A 68 ALA HB% 1.0 . 3.47 1390 1271 A 42 CYS H A 68 ALA HB% 1.0 . 4.06 1391 1272 A 68 ALA HB% A 39 PHE HD% 1.0 . 5.14 1392 1273 A 70 PHE HD% A 68 ALA HB% 1.0 . 3.10 1393 1274 A 70 PHE H A 68 ALA HB% 1.0 . 4.01 1394 1275 A 68 ALA HB% A 67 GLY HA3 1.0 . 4.82 1395 1276 A 68 ALA HB% A 39 PHE HB2 1.0 . 4.28 1396 1277 A 42 CYS HB3 A 68 ALA HB% 1.0 . 4.24 1397 1278 A 39 PHE HB3 A 68 ALA HB% 1.0 . 3.76 1398 1279 A 26 THR HG2% A 27 VAL H 1.0 . 3.46 1399 1280 A 26 THR HG2% A 26 THR H 1.0 . 4.00 1400 1281 A 26 THR HA A 26 THR HG2% 1.0 . 3.32 1401 1282 A 26 THR HG2% A 50 LEU HA 1.0 . 4.21 1402 1283 A 26 THR HG2% A 49 ILE HB 1.0 . 3.54 1403 1284 A 9 VAL H A 9 VAL HG2% 1.0 . 4.30 1404 1285 A 40 SER HA A 68 ALA HB% 1.0 . 4.63 1405 1286 A 26 THR H A 25 ILE HA 1.0 . 2.97 1406 1287 A 25 ILE HG13 A 25 ILE HA 1.0 . 3.83 1407 1288 A 51 THR H A 26 THR HG2% 1.0 . 4.64 1408 1289 A 50 LEU H A 50 LEU HD2% 1.0 . 4.41 1409 1290 A 50 LEU HD2% A 50 LEU HA 1.0 . 3.26 1410 1291 A 72 ILE HG2% A 50 LEU HD2% 1.0 . 3.28 1411 1292 A 50 LEU HD2% A 48 LEU HD2% 1.0 . 3.41 1412 1293 A 16 PHE H A 14 SER HA 1.0 . 4.97 1413 1294 A 40 SER HA A 17 ALA HB% 1.0 . 5.50 1414 1295 A 78 ALA HB% A 79 LEU HA 1.0 . 5.28 1415 1296 A 27 VAL H A 50 LEU HD2% 1.0 . 4.59 1416 1297 A 27 VAL HB A 50 LEU HD2% 1.0 . 3.33 1417 1298 A 50 LEU HB3 A 50 LEU HD2% 1.0 . 3.29 1418 1299 A 14 SER HA A 13 LYS HA 1.0 . 4.45 1419 1300 A 81 ARG H A 79 LEU HA 1.0 . 4.63 1420 1301 A 82 TYR H A 79 LEU HA 1.0 . 4.17 1421 1302 A 82 TYR HB2 A 79 LEU HA 1.0 . 4.42 1422 1303 A 78 ALA H A 79 LEU HA 1.0 . 4.85 1423 1304 A 77 GLU H A 78 ALA HB% 1.0 . 4.86 1424 1305 A 82 TYR H A 78 ALA HB% 1.0 . 4.55 1425 1306 A 81 ARG H A 78 ALA HB% 1.0 . 4.82 1426 1307 A 79 LEU H A 78 ALA HB% 1.0 . 3.94 1427 1308 A 54 ASP H A 78 ALA HB% 1.0 . 4.93 1428 1309 A 78 ALA H A 78 ALA HB% 1.0 . 3.19 1429 1310 A 53 GLU HG2 A 78 ALA HB% 1.0 . 3.90 1430 1311 A 9 VAL HG1% A 16 PHE HE1 1.0 . 4.16 1431 1312 A 9 VAL H A 9 VAL HG1% 1.0 . 3.08 1432 1313 A 9 VAL HG1% A 9 VAL HA 1.0 . 3.26 1433 1314 A 27 VAL H A 27 VAL HG2% 1.0 . 3.36 1434 1315 A 28 GLN H A 27 VAL HG2% 1.0 . 4.41 1435 1316 A 26 THR H A 27 VAL HG2% 1.0 . 4.63 1436 1317 A 58 TYR HD% A 27 VAL HG2% 1.0 . 5.07 1437 1318 A 58 TYR HE% A 27 VAL HG2% 1.0 . 4.01 1438 1319 A 26 THR HA A 27 VAL HG2% 1.0 . 4.27 1439 1320 A 27 VAL HA A 27 VAL HG2% 1.0 . 3.24 1440 1321 A 9 VAL HB A 27 VAL HG2% 1.0 . 3.95 1441 1322 A 25 ILE HG2% A 27 VAL HG2% 1.0 . 3.67 1442 1323 A 48 LEU HD2% A 27 VAL HG2% 1.0 . 3.39 1443 1324 A 50 LEU HD2% A 27 VAL HG2% 1.0 . 3.56 1444 1325 A 50 LEU HD1% A 27 VAL HG2% 1.0 . 4.66 1445 1326 A 16 PHE HA A 16 PHE HD1 1.0 . 3.52 1446 1327 A 81 ARG HA A 84 ARG HD3 1.0 . 5.02 1447 1328 A 53 GLU H A 78 ALA HB% 1.0 . 5.07 1448 1329 A 8 VAL HA A 8 VAL HG1% 1.0 . 3.49 1449 1329 A 8 VAL HG2% A 8 VAL HA 1.0 . 3.49 1450 1330 A 9 VAL HG1% A 27 VAL HG2% 1.0 . 3.21 1451 1331 A 81 ARG HA A 81 ARG HD3 1.0 . 4.60 1452 1332 A 81 ARG HA A 81 ARG HG3 1.0 . 3.51 1453 1333 A 81 ARG HA A 81 ARG HG2 1.0 . 3.80 1454 1334 A 81 ARG HA A 80 ASP HB3 1.0 . 4.49 1455 1335 A 19 ASN HA A 21 VAL HG1% 1.0 . 4.08 1456 1335 A 19 ASN HA A 21 VAL HG2% 1.0 . 4.08 1457 1336 A 21 VAL H A 21 VAL HG1% 1.0 . 3.13 1458 1336 A 21 VAL H A 21 VAL HG2% 1.0 . 3.13 1459 1337 A 22 ILE H A 21 VAL HG1% 1.0 . 3.83 1460 1337 A 22 ILE H A 21 VAL HG2% 1.0 . 3.83 1461 1338 A 20 THR HG2% A 21 VAL HG1% 1.0 . 4.96 1462 1338 A 20 THR HG2% A 21 VAL HG2% 1.0 . 4.96 1463 1339 A 44 ALA HB% A 21 VAL HG1% 1.0 . 3.19 1464 1339 A 21 VAL HG2% A 44 ALA HB% 1.0 . 3.19 1465 1340 A 90 THR HG2% A 90 THR H 1.0 . 3.71 1466 1341 A 90 THR HG2% A 87 PHE HE% 1.0 . 4.78 1467 1342 A 91 TYR HD% A 90 THR HG2% 1.0 . 4.44 1468 1343 A 91 TYR HE% A 90 THR HG2% 1.0 . 4.34 1469 1344 A 90 THR HA A 90 THR HG2% 1.0 . 3.23 1470 1345 A 90 THR HG2% A 89 GLN HB2 1.0 . 4.92 1471 1346 A 60 ALA HA A 64 LEU HA 1.0 . 3.93 1472 1347 A 64 LEU HG A 64 LEU HA 1.0 . 3.80 1473 1348 A 38 MET HG2 A 38 MET HA 1.0 . 3.91 1474 1349 A 90 THR HG2% A 89 GLN HA 1.0 . 5.09 1475 1350 A 92 ALA H A 89 GLN HA 1.0 . 4.24 1476 1351 A 89 GLN HA A 89 GLN HG2 1.0 . 3.10 1477 1352 A 89 GLN HA A 89 GLN HG3 1.0 . 3.10 1478 1353 A 77 GLU HA A 79 LEU H 1.0 . 4.34 1479 1354 A 77 GLU HA A 77 GLU HG2 1.0 . 3.46 1480 1354 A 77 GLU HA A 77 GLU HG3 1.0 . 3.46 1481 1355 A 93 ALA H A 91 TYR HA 1.0 . 4.34 1482 1356 A 57 ALA HB% A 30 ASN H 1.0 . 3.49 1483 1357 A 57 ALA H A 57 ALA HB% 1.0 . 3.09 1484 1358 A 58 TYR HD% A 57 ALA HB% 1.0 . 4.35 1485 1359 A 57 ALA HB% A 30 ASN HD21 1.0 . 4.42 1486 1360 A 58 TYR HE% A 57 ALA HB% 1.0 . 4.41 1487 1361 A 57 ALA HB% A 29 PRO HA 1.0 . 3.77 1488 1362 A 54 ASP HB2 A 57 ALA HB% 1.0 . 3.87 1489 1363 A 54 ASP HB3 A 57 ALA HB% 1.0 . 4.55 1490 1364 A 74 VAL HG1% A 82 TYR HB3 1.0 . 4.66 1491 1365 A 96 GLN H A 74 VAL HG1% 1.0 . 5.09 1492 1366 A 73 CYS H A 74 VAL HG1% 1.0 . 4.83 1493 1367 A 50 LEU H A 74 VAL HG1% 1.0 . 4.16 1494 1368 A 74 VAL H A 74 VAL HG1% 1.0 . 3.69 1495 1369 A 74 VAL HG1% A 74 VAL HA 1.0 . 3.25 1496 1370 A 74 VAL HG1% A 75 PRO HD2 1.0 . 4.15 1497 1371 A 74 VAL HG1% A 78 ALA HB% 1.0 . 4.48 1498 1372 A 50 LEU HB3 A 74 VAL HG1% 1.0 . 3.32 1499 1373 A 74 VAL HG1% A 50 LEU HG 1.0 . 3.66 1500 1374 A 72 ILE HG2% A 74 VAL HG1% 1.0 . 3.35 1501 1375 A 74 VAL HG1% A 50 LEU HD2% 1.0 . 4.18 1502 1376 A 44 ALA H A 44 ALA HB% 1.0 . 3.24 1503 1377 A 43 THR H A 44 ALA HB% 1.0 . 5.31 1504 1378 A 22 ILE H A 44 ALA HB% 1.0 . 4.70 1505 1379 A 45 LEU H A 44 ALA HB% 1.0 . 3.97 1506 1380 A 23 ARG HA A 44 ALA HB% 1.0 . 4.07 1507 1381 A 44 ALA HB% A 21 VAL HA 1.0 . 3.47 1508 1382 A 59 SER H A 58 TYR HA 1.0 . 3.02 1509 1383 A 23 ARG HD2 A 44 ALA HB% 1.0 . 4.68 1510 1384 A 44 ALA HB% A 46 GLU HG2 1.0 . 5.31 1511 1385 A 80 ASP HA A 83 ARG HD2 1.0 . 3.99 1512 1385 A 83 ARG HD3 A 80 ASP HA 1.0 . 3.99 1513 1386 A 83 ARG H A 80 ASP HA 1.0 . 3.61 1514 1387 A 80 ASP HB2 A 80 ASP HA 1.0 . 2.94 1515 1388 A 83 ARG HB2 A 80 ASP HA 1.0 . 3.38 1516 1389 A 100 GLN HA A 100 GLN HB2 1.0 . 3.01 1517 1390 A 71 LEU H A 46 GLU HA 1.0 . 4.54 1518 1391 A 4 GLU HA A 5 GLY H 1.0 . 3.12 1519 1392 A 53 GLU HB3 A 53 GLU HA 1.0 . 3.01 1520 1393 A 95 ILE H A 92 ALA HB% 1.0 . 5.08 1521 1394 A 92 ALA H A 92 ALA HB% 1.0 . 2.99 1522 1395 A 92 ALA HB% A 83 ARG HA 1.0 . 3.50 1523 1396 A 95 ILE HD1% A 92 ALA HB% 1.0 . 5.11 1524 1397 A 50 LEU H A 74 VAL HA 1.0 . 4.00 1525 1398 A 74 VAL HA A 75 PRO HD2 1.0 . 3.10 1526 1399 A 75 PRO HD3 A 74 VAL HA 1.0 . 3.54 1527 1400 A 23 ARG HA A 45 LEU HD2% 1.0 . 3.87 1528 1401 A 47 LYS H A 23 ARG HA 1.0 . 4.67 1529 1402 A 59 SER HA A 60 ALA H 1.0 . 2.77 1530 1403 A 60 ALA HB% A 59 SER HA 1.0 . 4.55 1531 1404 A 53 GLU HA A 78 ALA HB% 1.0 . 3.24 1532 1405 A 93 ALA H A 92 ALA HB% 1.0 . 3.56 1533 1406 A 89 GLN HA A 92 ALA HB% 1.0 . 3.23 1534 1407 A 92 ALA HB% A 83 ARG HD2 1.0 . 4.23 1535 1407 A 92 ALA HB% A 83 ARG HD3 1.0 . 4.23 1536 1408 A 92 ALA HB% A 83 ARG HG3 1.0 . 3.43 1537 1409 A 93 ALA HB% A 92 ALA HB% 1.0 . 5.02 1538 1410 A 74 VAL H A 73 CYS HA 1.0 . 2.83 1539 1411 A 97 PRO HA A 73 CYS HA 1.0 . 4.97 1540 1412 A 72 ILE HA A 73 CYS HA 1.0 . 4.42 1541 1413 A 72 ILE HB A 73 CYS HA 1.0 . 5.03 1542 1414 A 50 LEU H A 73 CYS HA 1.0 . 5.31 1543 1415 A 73 CYS HA A 98 MET HA 1.0 . 4.91 1544 1416 A 46 GLU H A 23 ARG HA 1.0 . 3.43 1545 1417 A 23 ARG HA A 45 LEU HA 1.0 . 3.01 1546 1418 A 22 ILE HG2% A 45 LEU HA 1.0 . 5.50 1547 1419 A 95 ILE H A 92 ALA HA 1.0 . 3.96 1548 1420 A 95 ILE HG2% A 92 ALA HA 1.0 . 4.89 1549 1421 A 58 TYR HE% A 31 ILE HG2% 1.0 . 4.76 1550 1422 A 28 GLN H A 31 ILE HG2% 1.0 . 4.59 1551 1423 A 31 ILE H A 31 ILE HG2% 1.0 . 3.37 1552 1424 A 32 GLY H A 31 ILE HG2% 1.0 . 4.01 1553 1425 A 58 TYR HD% A 31 ILE HG2% 1.0 . 4.92 1554 1426 A 31 ILE HG2% A 28 GLN HA 1.0 . 3.99 1555 1427 A 31 ILE HG2% A 28 GLN HG2 1.0 . 5.29 1556 1427 A 31 ILE HG2% A 28 GLN HG3 1.0 . 5.29 1557 1428 A 31 ILE HG2% A 31 ILE HG12 1.0 . 3.30 1558 1429 A 96 GLN H A 73 CYS HA 1.0 . 3.65 1559 1430 A 73 CYS HA A 74 VAL HA 1.0 . 4.67 1560 1431 A 73 CYS HA A 74 VAL HG1% 1.0 . 4.48 1561 1432 A 96 GLN HG2 A 73 CYS HA 1.0 . 4.78 1562 1433 A 100 GLN H A 99 GLU HA 1.0 . 2.75 1563 1434 A 99 GLU HA A 99 GLU HG2 1.0 . 3.29 1564 1434 A 99 GLU HG3 A 99 GLU HA 1.0 . 3.29 1565 1435 A 23 ARG HG2 A 45 LEU HA 1.0 . 5.07 1566 1436 A 95 ILE H A 95 ILE HG2% 1.0 . 4.30 1567 1437 A 82 TYR HB2 A 95 ILE HG2% 1.0 . 4.01 1568 1438 A 95 ILE HG2% A 82 TYR HB3 1.0 . 3.90 1569 1439 A 95 ILE HG12 A 95 ILE HG2% 1.0 . 3.90 1570 1440 A 95 ILE HD1% A 95 ILE HG2% 1.0 . 3.36 1571 1441 A 36 ASP H A 35 TYR HA 1.0 . 2.92 1572 1442 A 33 LEU HG A 35 TYR HA 1.0 . 3.87 1573 1443 A 46 GLU H A 45 LEU HA 1.0 . 2.91 1574 1444 A 96 GLN H A 95 ILE HG2% 1.0 . 3.53 1575 1445 A 83 ARG H A 95 ILE HG2% 1.0 . 5.07 1576 1446 A 95 ILE HG2% A 95 ILE HA 1.0 . 3.46 1577 1447 A 95 ILE HG2% A 96 GLN HA 1.0 . 4.42 1578 1448 A 74 VAL HG2% A 95 ILE HG2% 1.0 . 3.40 1579 1449 A 95 ILE HG2% A 74 VAL HG1% 1.0 . 3.46 1580 1450 A 74 VAL H A 95 ILE HG2% 1.0 . 4.53 1581 1451 A 73 CYS HA A 95 ILE HG2% 1.0 . 4.71 1582 1452 A 67 GLY H A 66 ASP HA 1.0 . 2.73 1583 1453 A 68 ALA H A 66 ASP HA 1.0 . 3.91 1584 1454 A 33 LEU HA A 34 LEU HG 1.0 . 4.42 1585 1455 A 34 LEU H A 33 LEU HA 1.0 . 2.88 1586 1456 A 66 ASP HA A 66 ASP HB2 1.0 . 3.00 1587 1456 A 66 ASP HB3 A 66 ASP HA 1.0 . 3.00 1588 1457 A 50 LEU HD1% A 49 ILE HG2% 1.0 . 5.50 1589 1458 A 15 LEU HD1% A 15 LEU HA 1.0 . 3.35 1590 1459 A 49 ILE H A 49 ILE HG2% 1.0 . 4.48 1591 1460 A 50 LEU H A 49 ILE HG2% 1.0 . 3.59 1592 1461 A 51 THR H A 49 ILE HG2% 1.0 . 4.80 1593 1462 A 26 THR HA A 49 ILE HG2% 1.0 . 3.93 1594 1463 A 49 ILE HG2% A 50 LEU HA 1.0 . 4.71 1595 1464 A 49 ILE HG2% A 49 ILE HA 1.0 . 3.29 1596 1465 A 49 ILE HG2% A 49 ILE HG13 1.0 . 4.13 1597 1466 A 26 THR HG2% A 49 ILE HG2% 1.0 . 3.51 1598 1467 A 4 GLU HA A 3 HIS HA 1.0 . 4.28 1599 1468 A 70 PHE HD% A 47 LYS HA 1.0 . 4.51 1600 1469 A 16 PHE HB2 A 39 PHE HA 1.0 . 4.39 1601 1470 A 86 TYR H A 85 ASP HA 1.0 . 2.85 1602 1471 A 99 GLU H A 98 MET HA 1.0 . 2.63 1603 1472 A 98 MET HA A 73 CYS HB2 1.0 . 3.26 1604 1473 A 98 MET HG2 A 98 MET HA 1.0 . 4.07 1605 1474 A 49 ILE HG2% A 98 MET HA 1.0 . 5.50 1606 1475 A 17 ALA HB% A 38 MET HA 1.0 . 4.71 1607 1476 A 39 PHE H A 17 ALA HB% 1.0 . 5.09 1608 1477 A 96 GLN H A 72 ILE HG2% 1.0 . 4.80 1609 1478 A 73 CYS H A 72 ILE HG2% 1.0 . 3.48 1610 1479 A 50 LEU H A 72 ILE HG2% 1.0 . 4.71 1611 1480 A 72 ILE HG2% A 88 TRP HH2 1.0 . 4.57 1612 1481 A 72 ILE HG2% A 73 CYS HA 1.0 . 4.96 1613 1482 A 72 ILE HG2% A 95 ILE HA 1.0 . 4.26 1614 1483 A 72 ILE HA A 72 ILE HG2% 1.0 . 3.36 1615 1484 A 72 ILE HG2% A 95 ILE HG12 1.0 . 4.32 1616 1485 A 48 LEU HB2 A 72 ILE HG2% 1.0 . 4.32 1617 1486 A 72 ILE HG12 A 72 ILE HG2% 1.0 . 2.91 1618 1487 A 72 ILE HG2% A 50 LEU HG 1.0 . 3.22 1619 1488 A 72 ILE HG2% A 95 ILE HG2% 1.0 . 3.76 1620 1489 A 50 LEU HD1% A 72 ILE HG2% 1.0 . 3.08 1621 1490 A 48 LEU H A 47 LYS HA 1.0 . 2.89 1622 1491 A 71 LEU H A 47 LYS HA 1.0 . 3.61 1623 1492 A 70 PHE HB3 A 47 LYS HA 1.0 . 3.81 1624 1493 A 47 LYS HG3 A 47 LYS HA 1.0 . 3.76 1625 1494 A 37 GLY H A 36 ASP HA 1.0 . 3.00 1626 1495 A 63 GLY HA2 A 36 ASP HA 1.0 . 4.39 1627 1496 A 74 VAL HA A 98 MET HE% 1.0 . 4.55 1628 1497 A 75 PRO HA A 98 MET HE% 1.0 . 4.23 1629 1498 A 98 MET HE% A 75 PRO HD2 1.0 . 3.95 1630 1499 A 98 MET HE% A 51 THR HA 1.0 . 3.98 1631 1500 A 98 MET HG2 A 98 MET HE% 1.0 . 3.54 1632 1501 A 74 VAL HB A 98 MET HE% 1.0 . 4.65 1633 1502 A 51 THR HG2% A 98 MET HE% 1.0 . 4.20 1634 1503 A 49 ILE HG2% A 98 MET HE% 1.0 . 3.24 1635 1504 A 74 VAL HG1% A 98 MET HE% 1.0 . 5.50 1636 1505 A 17 ALA HB% A 18 GLY H 1.0 . 3.69 1637 1506 A 17 ALA H A 17 ALA HB% 1.0 . 3.13 1638 1507 A 17 ALA HB% A 40 SER H 1.0 . 4.26 1639 1508 A 17 ALA HB% A 39 PHE HA 1.0 . 5.31 1640 1509 A 17 ALA HB% A 40 SER HB2 1.0 . 4.12 1641 1509 A 17 ALA HB% A 40 SER HB3 1.0 . 4.12 1642 1510 A 38 MET HE% A 16 PHE HB2 1.0 . 4.06 1643 1511 A 38 MET HE% A 34 LEU HD2% 1.0 . 3.38 1644 1512 A 25 ILE HG2% A 26 THR H 1.0 . 3.52 1645 1513 A 25 ILE H A 25 ILE HG2% 1.0 . 4.29 1646 1514 A 25 ILE HG2% A 25 ILE HA 1.0 . 3.54 1647 1515 A 25 ILE HG2% A 9 VAL HB 1.0 . 5.09 1648 1516 A 25 ILE HG2% A 27 VAL HG1% 1.0 . 4.50 1649 1517 A 25 ILE HG2% A 9 VAL HG1% 1.0 . 3.54 1650 1518 A 25 ILE HG2% A 25 ILE HG13 1.0 . 3.59 1651 1519 A 25 ILE HG2% A 25 ILE HD1% 1.0 . 3.30 1652 1520 A 74 VAL HG2% A 98 MET H 1.0 . 4.56 1653 1521 A 74 VAL HG2% A 74 VAL H 1.0 . 3.23 1654 1522 A 74 VAL HG2% A 79 LEU H 1.0 . 4.38 1655 1523 A 74 VAL HG2% A 73 CYS HA 1.0 . 4.40 1656 1524 A 74 VAL HG2% A 74 VAL HA 1.0 . 4.04 1657 1525 A 74 VAL HG2% A 79 LEU HA 1.0 . 3.13 1658 1526 A 74 VAL HG2% A 78 ALA HB% 1.0 . 4.31 1659 1527 A 74 VAL HG2% A 96 GLN HA 1.0 . 5.50 1660 1528 A 74 VAL HG2% A 75 PRO HD2 1.0 . 4.59 1661 1529 A 84 ARG HA A 83 ARG HA 1.0 . 4.83 1662 1530 A 31 ILE HA A 11 MET HE% 1.0 . 4.87 1663 1531 A 11 MET HG2 A 11 MET HE% 1.0 . 4.38 1664 1532 A 11 MET HG3 A 11 MET HE% 1.0 . 4.54 1665 1533 A 31 ILE HD1% A 11 MET HE% 1.0 . 3.88 1666 1534 A 38 MET HE% A 34 LEU HA 1.0 . 3.98 1667 1535 A 38 MET HE% A 38 MET HA 1.0 . 5.03 1668 1536 A 38 MET HE% A 13 LYS HB3 1.0 . 3.07 1669 1537 A 38 MET HE% A 13 LYS HD3 1.0 . 3.04 1670 1538 A 13 LYS HG3 A 38 MET HE% 1.0 . 3.47 1671 1539 A 38 MET HE% A 38 MET HB3 1.0 . 3.19 1672 1540 A 22 ILE HG2% A 21 VAL H 1.0 . 4.19 1673 1541 A 22 ILE HG2% A 19 ASN HD22 1.0 . 4.65 1674 1542 A 22 ILE HG2% A 24 GLU H 1.0 . 4.88 1675 1543 A 22 ILE H A 22 ILE HG2% 1.0 . 3.30 1676 1544 A 22 ILE HG2% A 22 ILE HA 1.0 . 3.61 1677 1545 A 22 ILE HG2% A 19 ASN HB2 1.0 . 3.94 1678 1546 A 22 ILE HG2% A 19 ASN HB3 1.0 . 4.37 1679 1547 A 22 ILE HG2% A 7 PRO HB2 1.0 . 4.58 1680 1548 A 71 LEU H A 70 PHE HA 1.0 . 3.06 1681 1549 A 24 GLU HA A 47 LYS HB3 1.0 . 4.18 1682 1550 A 30 ASN H A 30 ASN HA 1.0 . 2.80 1683 1551 A 24 GLU HA A 25 ILE H 1.0 . 2.86 1684 1552 A 24 GLU HA A 47 LYS H 1.0 . 3.91 1685 1553 A 32 GLY H A 30 ASN HA 1.0 . 4.54 1686 1554 A 17 ALA HA A 18 GLY HA2 1.0 . 4.51 1687 1555 A 17 ALA HA A 39 PHE HA 1.0 . 3.90 1688 1556 A 65 ARG HA A 65 ARG HD2 1.0 . 5.21 1689 1556 A 65 ARG HD3 A 65 ARG HA 1.0 . 5.21 1690 1557 A 39 PHE HD% A 65 ARG HA 1.0 . 4.54 1691 1558 A 65 ARG HG2 A 65 ARG HA 1.0 . 3.76 1692 1559 A 17 ALA HA A 18 GLY H 1.0 . 2.84 1693 1560 A 16 PHE H A 17 ALA HA 1.0 . 5.38 1694 1561 A 7 PRO HD2 A 6 GLU HA 1.0 . 2.91 1695 1562 A 5 GLY HA2 A 6 GLU HA 1.0 . 4.77 1696 1563 A 35 TYR HD% A 34 LEU HA 1.0 . 4.39 1697 1564 A 92 ALA H A 93 ALA HA 1.0 . 5.11 1698 1565 A 95 ILE H A 93 ALA HA 1.0 . 4.52 1699 1566 A 92 ALA HB% A 93 ALA HA 1.0 . 4.72 1700 1567 A 69 ASP HA A 68 ALA HB% 1.0 . 5.35 1701 1568 A 69 ASP HA A 70 PHE H 1.0 . 3.13 1702 1569 A 13 LYS H A 13 LYS HA 1.0 . 2.93 1703 1570 A 34 LEU HG A 34 LEU HA 1.0 . 3.52 1704 1571 A 35 TYR H A 34 LEU HA 1.0 . 3.03 1705 1572 A 72 ILE H A 71 LEU HA 1.0 . 3.12 1706 1573 A 71 LEU HA A 94 TRP HB2 1.0 . 3.76 1707 1574 A 71 LEU HD1% A 71 LEU HA 1.0 . 4.54 1708 1575 A 38 MET HG3 A 34 LEU HA 1.0 . 4.91 1709 1576 A 94 TRP HB3 A 71 LEU HA 1.0 . 3.91 1710 1577 A 71 LEU HA A 72 ILE HD1% 1.0 . 4.68 1711 1578 A 64 LEU HD1% A 72 ILE HD1% 1.0 . 3.55 1712 1579 A 72 ILE HG2% A 72 ILE HD1% 1.0 . 3.22 1713 1580 A 72 ILE HA A 72 ILE HD1% 1.0 . 3.79 1714 1581 A 58 TYR HE% A 50 LEU HA 1.0 . 5.09 1715 1582 A 49 ILE H A 48 LEU HA 1.0 . 2.95 1716 1583 A 72 ILE H A 72 ILE HD1% 1.0 . 4.03 1717 1584 A 88 TRP HE3 A 72 ILE HD1% 1.0 . 4.92 1718 1585 A 72 ILE HD1% A 95 ILE HA 1.0 . 4.90 1719 1586 A 91 TYR HB3 A 72 ILE HD1% 1.0 . 3.56 1720 1587 A 91 TYR HB2 A 72 ILE HD1% 1.0 . 3.88 1721 1588 A 50 LEU HD1% A 72 ILE HD1% 1.0 . 4.70 1722 1589 A 51 THR H A 50 LEU HA 1.0 . 3.10 1723 1590 A 27 VAL HB A 50 LEU HA 1.0 . 4.12 1724 1591 A 25 ILE H A 48 LEU HA 1.0 . 3.83 1725 1592 A 22 ILE HD1% A 25 ILE HD1% 1.0 . 3.69 1726 1593 A 23 ARG H A 22 ILE HD1% 1.0 . 4.96 1727 1594 A 22 ILE HD1% A 19 ASN HD22 1.0 . 4.97 1728 1595 A 22 ILE HD1% A 16 PHE HA 1.0 . 4.67 1729 1596 A 22 ILE HD1% A 25 ILE HA 1.0 . 4.83 1730 1597 A 22 ILE HD1% A 22 ILE HA 1.0 . 4.08 1731 1598 A 22 ILE HD1% A 19 ASN HB2 1.0 . 4.45 1732 1599 A 7 PRO HB2 A 22 ILE HD1% 1.0 . 4.72 1733 1600 A 22 ILE HD1% A 25 ILE HG13 1.0 . 3.53 1734 1601 A 28 GLN H A 31 ILE HD1% 1.0 . 4.60 1735 1602 A 31 ILE HD1% A 31 ILE HA 1.0 . 3.33 1736 1603 A 31 ILE HD1% A 31 ILE HB 1.0 . 3.21 1737 1604 A 16 PHE HB2 A 25 ILE HD1% 1.0 . 4.96 1738 1605 A 45 LEU HD1% A 25 ILE HD1% 1.0 . 4.13 1739 1606 A 25 ILE H A 25 ILE HD1% 1.0 . 5.49 1740 1607 A 25 ILE HD1% A 25 ILE HA 1.0 . 4.28 1741 1608 A 25 ILE HD1% A 16 PHE HB3 1.0 . 4.33 1742 1609 A 95 ILE HD1% A 94 TRP H 1.0 . 4.20 1743 1610 A 91 TYR HB2 A 95 ILE HD1% 1.0 . 3.69 1744 1611 A 95 ILE HD1% A 88 TRP HE3 1.0 . 3.76 1745 1612 A 95 ILE H A 95 ILE HD1% 1.0 . 4.37 1746 1613 A 95 ILE HD1% A 92 ALA HA 1.0 . 3.16 1747 1614 A 95 ILE HD1% A 88 TRP HB2 1.0 . 3.68 1748 1614 A 88 TRP HB3 A 95 ILE HD1% 1.0 . 3.68 1749 1615 A 95 ILE HD1% A 82 TYR HB2 1.0 . 4.03 1750 1616 A 95 ILE HD1% A 82 TYR HB3 1.0 . 3.59 1751 1617 A 72 ILE HG2% A 95 ILE HD1% 1.0 . 4.53 1752 1618 A 95 ILE HD1% A 74 VAL HG1% 1.0 . 4.41 1753 1619 A 95 ILE HD1% A 95 ILE HA 1.0 . 4.46 1754 1620 A 30 ASN H A 57 ALA HA 1.0 . 4.42 1755 1621 A 50 LEU H A 49 ILE HD1% 1.0 . 5.34 1756 1622 A 57 ALA HA A 30 ASN HD21 1.0 . 5.07 1757 1623 A 49 ILE HD1% A 48 LEU HA 1.0 . 5.12 1758 1624 A 49 ILE H A 49 ILE HD1% 1.0 . 4.13 1759 1625 A 25 ILE H A 49 ILE HD1% 1.0 . 4.71 1760 1626 A 49 ILE HD1% A 49 ILE HA 1.0 . 4.07 1761 1627 A 49 ILE HD1% A 47 LYS HE3 1.0 . 4.95 1762 1628 A 73 CYS HB3 A 49 ILE HD1% 1.0 . 4.83 1763 1629 A 49 ILE HB A 49 ILE HD1% 1.0 . 3.35 1764 1630 A 26 THR HG2% A 49 ILE HD1% 1.0 . 3.81 1765 1631 A 68 ALA HA A 69 ASP H 1.0 . 2.99 1766 1632 A 56 SER H A 55 PRO HD2 1.0 . 4.67 1767 1633 A 54 ASP HB3 A 55 PRO HD2 1.0 . 4.69 1768 1634 A 74 VAL HB A 75 PRO HD2 1.0 . 3.55 1769 1635 A 6 GLU HA A 7 PRO HD3 1.0 . 3.15 1770 1636 A 74 VAL HG2% A 75 PRO HD3 1.0 . 4.78 1771 1637 A 75 PRO HD3 A 78 ALA HB% 1.0 . 3.73 1772 1638 A 75 PRO HD3 A 74 VAL HG1% 1.0 . 4.66 1773 1639 A 6 GLU H A 7 PRO HD2 1.0 . 5.01 1774 1640 A 7 PRO HD2 A 22 ILE HD1% 1.0 . 5.49 1775 1641 A 28 GLN HA A 29 PRO HD2 1.0 . 3.12 1776 1642 A 28 GLN HB2 A 29 PRO HD2 1.0 . 3.79 1777 1643 A 28 GLN HA A 29 PRO HD3 1.0 . 3.28 1778 1644 A 28 GLN HB2 A 29 PRO HD3 1.0 . 3.48 1779 1645 A 51 THR HG2% A 29 PRO HD2 1.0 . 5.50 1780 1646 A 54 ASP HA A 56 SER H 1.0 . 4.43 1781 1647 A 54 ASP HA A 55 PRO HG3 1.0 . 4.42 1782 1648 A 54 ASP HA A 55 PRO HD2 1.0 . 3.09 1783 1649 A 54 ASP HA A 55 PRO HD3 1.0 . 3.28 1784 1650 A 54 ASP HA A 81 ARG HD3 1.0 . 4.59 1785 1651 A 97 PRO HD2 A 96 GLN HA 1.0 . 3.38 1786 1652 A 97 PRO HD2 A 79 LEU HD2% 1.0 . 4.38 1787 1653 A 97 PRO HD3 A 96 GLN HA 1.0 . 3.31 1788 1654 A 54 ASP HA A 78 ALA HA 1.0 . 4.88 1789 1655 A 88 TRP HE1 A 58 TYR HD% 1.0 . 4.86 1790 1656 A 58 TYR HD% A 58 TYR HA 1.0 . 3.51 1791 1657 A 55 PRO HA A 58 TYR HD% 1.0 . 3.51 1792 1658 A 50 LEU HD1% A 58 TYR HD% 1.0 . 4.06 1793 1659 A 58 TYR HD% A 50 LEU HD2% 1.0 . 3.80 1794 1660 A 59 SER H A 58 TYR HD% 1.0 . 4.38 1795 1661 A 35 TYR HD% A 36 ASP H 1.0 . 3.75 1796 1662 A 35 TYR H A 35 TYR HD% 1.0 . 2.97 1797 1663 A 35 TYR HD% A 35 TYR HA 1.0 . 3.79 1798 1664 A 35 TYR HD% A 38 MET HG2 1.0 . 4.75 1799 1665 A 35 TYR HD% A 33 LEU HD1% 1.0 . 4.20 1800 1666 A 35 TYR HD% A 38 MET HA 1.0 . 4.38 1801 1667 A 86 TYR HD% A 87 PHE H 1.0 . 4.17 1802 1668 A 86 TYR HD% A 87 PHE HA 1.0 . 4.41 1803 1669 A 86 TYR HD% A 86 TYR HA 1.0 . 3.31 1804 1670 A 64 LEU HB3 A 91 TYR HD% 1.0 . 4.91 1805 1671 A 70 PHE HD% A 72 ILE H 1.0 . 4.34 1806 1672 A 70 PHE HD% A 71 LEU H 1.0 . 3.97 1807 1673 A 70 PHE HD% A 70 PHE H 1.0 . 3.18 1808 1674 A 70 PHE HD% A 70 PHE HA 1.0 . 3.76 1809 1675 A 70 PHE HD% A 48 LEU HB2 1.0 . 2.81 1810 1676 A 70 PHE HD% A 48 LEU HB3 1.0 . 3.84 1811 1677 A 70 PHE HD% A 45 LEU HD1% 1.0 . 3.26 1812 1678 A 91 TYR H A 91 TYR HD% 1.0 . 3.63 1813 1679 A 87 PHE HD% A 91 TYR HD% 1.0 . 4.26 1814 1680 A 91 TYR HD% A 91 TYR HA 1.0 . 3.33 1815 1681 A 91 TYR HD% A 72 ILE HD1% 1.0 . 3.41 1816 1682 A 70 PHE HE% A 39 PHE HD% 1.0 . 2.83 1817 1683 A 39 PHE HD% A 39 PHE HA 1.0 . 3.17 1818 1684 A 25 ILE HD1% A 16 PHE HD1 1.0 . 3.63 1819 1685 A 45 LEU HD1% A 39 PHE HD% 1.0 . 3.48 1820 1686 A 39 PHE H A 39 PHE HD% 1.0 . 3.96 1821 1687 A 39 PHE HD% A 65 ARG HB3 1.0 . 4.74 1822 1688 A 16 PHE HB2 A 16 PHE HD1 1.0 . 3.47 1823 1689 A 22 ILE HD1% A 16 PHE HD1 1.0 . 3.68 1824 1690 A 9 VAL HA A 16 PHE HE1 1.0 . 4.12 1825 1691 A 8 VAL HA A 16 PHE HE1 1.0 . 4.01 1826 1692 A 38 MET HE% A 16 PHE HE1 1.0 . 4.01 1827 1693 A 25 ILE HG2% A 16 PHE HE1 1.0 . 4.76 1828 1694 A 25 ILE HD1% A 16 PHE HE1 1.0 . 4.25 1829 1695 A 60 ALA HB% A 87 PHE HE% 1.0 . 4.05 1830 1696 A 39 PHE HA A 39 PHE HE% 1.0 . 5.07 1831 1697 A 64 LEU HD1% A 87 PHE HE% 1.0 . 5.11 1832 1698 A 16 PHE HZ A 9 VAL HB 1.0 . 4.64 1833 1699 A 16 PHE HD1 A 39 PHE HE% 1.0 . 2.81 1834 1700 A 16 PHE HB3 A 39 PHE HE% 1.0 . 4.20 1835 1701 A 39 PHE HE% A 65 ARG HA 1.0 . 3.81 1836 1702 A 16 PHE HZ A 8 VAL HA 1.0 . 5.01 1837 1703 A 70 PHE HE% A 39 PHE HB2 1.0 . 4.58 1838 1704 A 72 ILE HG2% A 70 PHE HE% 1.0 . 4.29 1839 1705 A 48 LEU HB3 A 70 PHE HE% 1.0 . 3.44 1840 1706 A 48 LEU HD2% A 70 PHE HZ 1.0 . 3.51 1841 1707 A 39 PHE HD% A 70 PHE HZ 1.0 . 4.08 1842 1708 A 88 TRP HD1 A 88 TRP HB2 1.0 . 3.46 1843 1708 A 88 TRP HB3 A 88 TRP HD1 1.0 . 3.46 1844 1709 A 85 ASP HB3 A 88 TRP HD1 1.0 . 3.79 1845 1710 A 88 TRP HD1 A 87 PHE HB3 1.0 . 4.07 1846 1711 A 55 PRO HB3 A 88 TRP HD1 1.0 . 3.09 1847 1712 A 88 TRP HD1 A 55 PRO HG3 1.0 . 4.80 1848 1713 A 94 TRP HA A 94 TRP HD1 1.0 . 3.60 1849 1714 A 94 TRP HB2 A 94 TRP HD1 1.0 . 3.52 1850 1715 A 94 TRP HB3 A 94 TRP HD1 1.0 . 3.88 1851 1716 A 71 LEU HD2% A 94 TRP HD1 1.0 . 3.17 1852 1717 A 93 ALA HB% A 94 TRP HH2 1.0 . 4.41 1853 1718 A 58 TYR HB2 A 88 TRP HH2 1.0 . 4.82 1854 1719 A 34 LEU HD1% A 88 TRP HH2 1.0 . 3.41 1855 1720 A 72 ILE HD1% A 88 TRP HH2 1.0 . 4.25 1856 1721 A 64 LEU HD1% A 88 TRP HH2 1.0 . 3.28 1857 1722 A 50 LEU HD1% A 88 TRP HH2 1.0 . 4.28 1858 1723 A 93 ALA HB% A 94 TRP HZ3 1.0 . 4.65 1859 1724 A 91 TYR HA A 94 TRP HZ3 1.0 . 3.54 1860 1725 A 91 TYR HB2 A 88 TRP HZ3 1.0 . 4.60 1861 1726 A 72 ILE HD1% A 88 TRP HZ3 1.0 . 3.33 1862 1727 A 64 LEU HD1% A 88 TRP HZ3 1.0 . 3.18 1863 1728 A 72 ILE HG2% A 88 TRP HZ3 1.0 . 3.91 1864 1729 A 50 LEU HD1% A 88 TRP HZ3 1.0 . 4.30 1865 1730 A 3 HIS HB3 A 3 HIS HD2 1.0 . 3.80 1866 1731 A 88 TRP HA A 88 TRP HE3 1.0 . 3.33 1867 1732 A 88 TRP HE3 A 88 TRP HB2 1.0 . 3.29 1868 1732 A 88 TRP HB3 A 88 TRP HE3 1.0 . 3.29 1869 1733 A 91 TYR HB2 A 88 TRP HE3 1.0 . 3.45 1870 1734 A 72 ILE HG2% A 88 TRP HE3 1.0 . 4.82 1871 1735 A 64 LEU HD1% A 88 TRP HE3 1.0 . 4.80 1872 1736 A 94 TRP HE3 A 72 ILE HD1% 1.0 . 4.33 1873 1737 A 93 ALA HB% A 94 TRP HE3 1.0 . 5.18 1874 1738 A 94 TRP HE3 A 94 TRP H 1.0 . 3.66 1875 1739 A 94 TRP HE3 A 91 TYR HD% 1.0 . 4.00 1876 1740 A 94 TRP HE3 A 91 TYR HA 1.0 . 3.34 1877 1741 A 94 TRP HE3 A 94 TRP HA 1.0 . 4.71 1878 1742 A 94 TRP HE3 A 94 TRP HB3 1.0 . 3.55 1879 1743 A 38 MET H A 35 TYR HE% 1.0 . 4.48 1880 1744 A 14 SER HB3 A 35 TYR HE% 1.0 . 4.96 1881 1745 A 35 TYR HE% A 14 SER HA 1.0 . 4.87 1882 1746 A 35 TYR HE% A 38 MET HA 1.0 . 3.44 1883 1747 A 13 LYS HB3 A 35 TYR HE% 1.0 . 3.92 1884 1748 A 91 TYR HE% A 65 ARG H 1.0 . 3.74 1885 1749 A 91 TYR HE% A 91 TYR HA 1.0 . 4.78 1886 1750 A 91 TYR HE% A 65 ARG HG3 1.0 . 3.59 1887 1751 A 58 TYR HE% A 50 LEU HB2 1.0 . 3.87 1888 1752 A 58 TYR HE% A 50 LEU HD2% 1.0 . 3.62 1889 1753 A 91 TYR HE% A 87 PHE HE% 1.0 . 2.91 1890 1754 A 91 TYR HE% A 65 ARG HD2 1.0 . 3.79 1891 1754 A 91 TYR HE% A 65 ARG HD3 1.0 . 3.79 1892 1755 A 91 TYR HE% A 64 LEU HB3 1.0 . 3.56 1893 1756 A 58 TYR HE% A 29 PRO HA 1.0 . 3.88 1894 1757 A 58 TYR HE% A 27 VAL HB 1.0 . 3.28 1895 1758 A 58 TYR HE% A 27 VAL HG1% 1.0 . 2.87 1896 1759 A 93 ALA HB% A 94 TRP HZ2 1.0 . 4.14 1897 1760 A 64 LEU HD1% A 88 TRP HZ2 1.0 . 4.83 1898 1761 A 50 LEU HD1% A 88 TRP HZ2 1.0 . 4.69 1899 1762 A 58 TYR HB2 A 88 TRP HZ2 1.0 . 3.10 1900 1763 A 58 TYR HB3 A 88 TRP HZ2 1.0 . 3.24 1901 1764 A 60 ALA HB% A 88 TRP HZ2 1.0 . 3.73 1902 1765 A 34 LEU HD1% A 88 TRP HZ2 1.0 . 3.83 1903 1766 A 59 SER H A 88 TRP HZ2 1.0 . 4.32 stop_ save_