data_nef_c19627_2mhd save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MHD stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 ASP middle . . 3 A 3 GLU middle . . 4 A 4 ASP middle . . 5 A 5 ASP middle . . 6 A 6 LYS middle . . 7 A 7 VAL middle . . 8 A 8 GLU middle . . 9 A 9 ILE middle . . 10 A 10 PRO middle . false 11 A 11 GLN middle . . 12 A 12 LEU middle . . 13 A 13 VAL middle . . 14 A 14 GLY middle . false 15 A 15 LYS middle . . 16 A 16 TRP middle . . 17 A 17 ILE middle . . 18 A 18 VAL middle . . 19 A 19 LYS middle . . 20 A 20 GLU middle . . 21 A 21 PRO middle . true 22 A 22 VAL middle . . 23 A 23 LEU middle . . 24 A 24 GLN middle . . 25 A 25 ASP middle . . 26 A 26 ASP middle . . 27 A 27 PHE middle . . 28 A 28 VAL middle . . 29 A 29 THR middle . . 30 A 30 CYS middle . . 31 A 31 TYR middle . . 32 A 32 THR middle . . 33 A 33 PHE middle . . 34 A 34 ASN middle . . 35 A 35 ALA middle . . 36 A 36 ASP middle . . 37 A 37 LYS middle . . 38 A 38 THR middle . . 39 A 39 TYR middle . . 40 A 40 GLU middle . . 41 A 41 VAL middle . . 42 A 42 TYR middle . . 43 A 43 THR middle . . 44 A 44 GLY middle . false 45 A 45 SER middle . . 46 A 46 PRO middle . false 47 A 47 LEU middle . . 48 A 48 SER middle . . 49 A 49 ASN middle . . 50 A 50 GLY middle . false 51 A 51 VAL middle . . 52 A 52 PRO middle . false 53 A 53 PHE middle . . 54 A 54 ARG middle . . 55 A 55 GLY middle . false 56 A 56 THR middle . . 57 A 57 TYR middle . . 58 A 58 ILE middle . . 59 A 59 ILE middle . . 60 A 60 SER middle . . 61 A 61 LEU middle . . 62 A 62 ASP middle . . 63 A 63 GLU middle . . 64 A 64 LYS middle . . 65 A 65 LEU middle . . 66 A 66 ILE middle . . 67 A 67 LYS middle . . 68 A 68 LEU middle . . 69 A 69 TYR middle . . 70 A 70 ASP middle . . 71 A 71 LYS middle . . 72 A 72 GLU middle . . 73 A 73 GLU middle . . 74 A 74 HIS middle . . 75 A 75 CYS middle . . 76 A 76 THR middle . . 77 A 77 GLU middle . . 78 A 78 GLN middle . . 79 A 79 TYR middle . . 80 A 80 HIS middle . . 81 A 81 ILE middle . . 82 A 82 LEU middle . . 83 A 83 LYS middle . . 84 A 84 LEU middle . . 85 A 85 THR middle . . 86 A 86 SER middle . . 87 A 87 LYS middle . . 88 A 88 GLU middle . . 89 A 89 MET middle . . 90 A 90 LYS middle . . 91 A 91 TRP middle . . 92 A 92 GLU middle . . 93 A 93 ASN middle . . 94 A 94 ALA middle . . 95 A 95 SER middle . . 96 A 96 PRO middle . false 97 A 97 LYS middle . . 98 A 98 ASP middle . . 99 A 99 GLY middle . false 100 A 100 ASN middle . . 101 A 101 SER middle . . 102 A 102 ASP middle . . 103 A 103 LYS middle . . 104 A 104 ARG middle . . 105 A 105 LEU middle . . 106 A 106 GLU middle . . 107 A 107 LYS middle . . 108 A 108 TYR middle . . 109 A 109 ASN middle . . 110 A 110 ASP 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 ASP HA H 1 4.520 0.006 A 2 ASP HB2 H 1 2.651 0.006 A 2 ASP HB3 H 1 2.651 0.006 A 2 ASP CA C 13 55.206 0.160 A 2 ASP CB C 13 41.225 0.160 A 3 GLU H H 1 8.707 0.006 A 3 GLU HA H 1 4.199 0.006 A 3 GLU HBx H 1 1.883 0.006 A 3 GLU HBy H 1 2.031 0.006 A 3 GLU HGx H 1 2.188 0.006 A 3 GLU HGy H 1 2.214 0.006 A 3 GLU CA C 13 57.029 0.160 A 3 GLU CB C 13 29.820 0.160 A 3 GLU CG C 13 36.316 0.160 A 3 GLU N N 15 119.869 0.102 A 4 ASP H H 1 8.053 0.006 A 4 ASP HA H 1 4.440 0.006 A 4 ASP HBx H 1 2.535 0.006 A 4 ASP HBy H 1 2.634 0.006 A 4 ASP CA C 13 55.118 0.160 A 4 ASP CB C 13 41.245 0.160 A 4 ASP N N 15 119.650 0.102 A 5 ASP H H 1 8.020 0.006 A 5 ASP HA H 1 4.630 0.006 A 5 ASP HB2 H 1 2.619 0.006 A 5 ASP HB3 H 1 2.619 0.006 A 5 ASP CA C 13 53.761 0.160 A 5 ASP CB C 13 40.866 0.160 A 5 ASP N N 15 119.339 0.102 A 6 LYS H H 1 7.711 0.006 A 6 LYS HA H 1 4.217 0.006 A 6 LYS HB2 H 1 1.709 0.006 A 6 LYS HB3 H 1 1.709 0.006 A 6 LYS HDx H 1 1.381 0.006 A 6 LYS HDy H 1 1.490 0.006 A 6 LYS HE2 H 1 2.939 0.006 A 6 LYS HE3 H 1 2.939 0.006 A 6 LYS HGy H 1 1.365 0.006 A 6 LYS HGx H 1 1.329 0.006 A 6 LYS CA C 13 56.109 0.160 A 6 LYS CB C 13 33.916 0.160 A 6 LYS CD C 13 28.528 0.160 A 6 LYS CE C 13 42.739 0.160 A 6 LYS CG C 13 24.939 0.160 A 6 LYS N N 15 121.265 0.102 A 7 VAL H H 1 8.340 0.006 A 7 VAL HA H 1 4.051 0.006 A 7 VAL HB H 1 1.934 0.006 A 7 VAL HGx% H 1 0.701 0.006 A 7 VAL HGy% H 1 0.672 0.006 A 7 VAL CA C 13 62.504 0.160 A 7 VAL CB C 13 33.738 0.160 A 7 VAL CGx C 13 21.363 0.160 A 7 VAL CGy C 13 21.529 0.160 A 7 VAL N N 15 122.743 0.102 A 8 GLU H H 1 8.996 0.006 A 8 GLU HA H 1 4.604 0.006 A 8 GLU HBx H 1 1.930 0.006 A 8 GLU HBy H 1 1.981 0.006 A 8 GLU HGy H 1 2.235 0.006 A 8 GLU HGx H 1 2.087 0.006 A 8 GLU CA C 13 54.083 0.160 A 8 GLU CB C 13 30.047 0.160 A 8 GLU CG C 13 36.408 0.160 A 8 GLU N N 15 129.254 0.102 A 9 ILE H H 1 8.478 0.006 A 9 ILE HA H 1 3.819 0.006 A 9 ILE HB H 1 2.100 0.006 A 9 ILE HD1% H 1 0.585 0.006 A 9 ILE HG1x H 1 1.410 0.006 A 9 ILE HG1y H 1 1.455 0.006 A 9 ILE HG2% H 1 0.851 0.006 A 9 ILE CA C 13 63.426 0.160 A 9 ILE CB C 13 34.840 0.160 A 9 ILE CD1 C 13 10.299 0.160 A 9 ILE CG1 C 13 28.144 0.160 A 9 ILE CG2 C 13 18.064 0.160 A 9 ILE N N 15 123.662 0.102 A 10 PRO HA H 1 4.338 0.006 A 10 PRO HBx H 1 1.688 0.006 A 10 PRO HBy H 1 2.395 0.006 A 10 PRO HDx H 1 3.324 0.006 A 10 PRO HDy H 1 3.784 0.006 A 10 PRO HGy H 1 2.064 0.006 A 10 PRO HGx H 1 1.905 0.006 A 10 PRO CA C 13 65.786 0.160 A 10 PRO CB C 13 31.859 0.160 A 10 PRO CD C 13 51.218 0.160 A 10 PRO CG C 13 28.631 0.160 A 11 GLN H H 1 7.987 0.006 A 11 GLN HA H 1 4.222 0.006 A 11 GLN HBx H 1 1.870 0.006 A 11 GLN HBy H 1 2.252 0.006 A 11 GLN HE2x H 1 6.716 0.006 A 11 GLN HE2y H 1 7.517 0.006 A 11 GLN HGx H 1 2.211 0.006 A 11 GLN HGy H 1 2.305 0.006 A 11 GLN C C 13 176.461 0.160 A 11 GLN CA C 13 55.805 0.160 A 11 GLN CB C 13 27.861 0.160 A 11 GLN CG C 13 32.946 0.160 A 11 GLN N N 15 112.602 0.102 A 11 GLN NE2 N 15 112.776 0.102 A 12 LEU H H 1 7.964 0.006 A 12 LEU HA H 1 3.908 0.006 A 12 LEU HBx H 1 1.326 0.006 A 12 LEU HBy H 1 1.637 0.006 A 12 LEU HDx% H 1 0.170 0.006 A 12 LEU HDy% H 1 -0.204 0.006 A 12 LEU HG H 1 0.997 0.006 A 12 LEU CA C 13 58.115 0.160 A 12 LEU CB C 13 43.303 0.160 A 12 LEU CDy C 13 26.891 0.160 A 12 LEU CDx C 13 23.310 0.160 A 12 LEU CG C 13 26.541 0.160 A 12 LEU N N 15 119.555 0.102 A 13 VAL H H 1 6.577 0.006 A 13 VAL HA H 1 3.752 0.006 A 13 VAL HB H 1 1.945 0.006 A 13 VAL HGx% H 1 1.095 0.006 A 13 VAL HGy% H 1 0.940 0.006 A 13 VAL CA C 13 64.717 0.160 A 13 VAL CB C 13 32.029 0.160 A 13 VAL CGx C 13 21.446 0.160 A 13 VAL CGy C 13 22.706 0.160 A 13 VAL N N 15 112.720 0.102 A 14 GLY H H 1 8.919 0.006 A 14 GLY HAy H 1 4.348 0.006 A 14 GLY CA C 13 43.751 0.160 A 14 GLY N N 15 116.042 0.102 A 15 LYS H H 1 8.395 0.006 A 15 LYS HA H 1 5.185 0.006 A 15 LYS HB2 H 1 1.566 0.006 A 15 LYS HB3 H 1 1.566 0.006 A 15 LYS HDx H 1 1.370 0.006 A 15 LYS HDy H 1 1.426 0.006 A 15 LYS HEy H 1 2.691 0.006 A 15 LYS HEx H 1 2.595 0.006 A 15 LYS HGy H 1 1.335 0.006 A 15 LYS HGx H 1 1.174 0.006 A 15 LYS CA C 13 55.797 0.160 A 15 LYS CB C 13 35.159 0.160 A 15 LYS CD C 13 29.859 0.160 A 15 LYS CE C 13 42.200 0.160 A 15 LYS CG C 13 25.832 0.160 A 15 LYS N N 15 120.788 0.102 A 16 TRP H H 1 9.550 0.006 A 16 TRP HA H 1 4.915 0.006 A 16 TRP HBy H 1 2.891 0.006 A 16 TRP HBx H 1 2.890 0.006 A 16 TRP HD1 H 1 7.336 0.006 A 16 TRP HE1 H 1 10.749 0.006 A 16 TRP HE3 H 1 6.667 0.006 A 16 TRP HH2 H 1 7.249 0.006 A 16 TRP HZ2 H 1 7.601 0.006 A 16 TRP HZ3 H 1 6.339 0.006 A 16 TRP CA C 13 55.800 0.160 A 16 TRP CB C 13 34.179 0.160 A 16 TRP CD1 C 13 124.398 0.160 A 16 TRP CE3 C 13 115.249 0.160 A 16 TRP CH2 C 13 122.175 0.160 A 16 TRP CZ2 C 13 113.054 0.160 A 16 TRP CZ3 C 13 119.847 0.160 A 16 TRP N N 15 123.983 0.102 A 16 TRP NE1 N 15 129.196 0.102 A 17 ILE H H 1 9.390 0.006 A 17 ILE HA H 1 4.892 0.006 A 17 ILE HB H 1 1.747 0.006 A 17 ILE HD1% H 1 0.653 0.006 A 17 ILE HG1y H 1 1.497 0.006 A 17 ILE HG1x H 1 1.116 0.006 A 17 ILE HG2% H 1 0.824 0.006 A 17 ILE CA C 13 58.782 0.160 A 17 ILE CB C 13 40.584 0.160 A 17 ILE CD1 C 13 13.057 0.160 A 17 ILE CG1 C 13 28.455 0.160 A 17 ILE CG2 C 13 17.354 0.160 A 17 ILE N N 15 122.229 0.102 A 18 VAL H H 1 8.739 0.006 A 18 VAL HA H 1 3.841 0.006 A 18 VAL HB H 1 2.276 0.006 A 18 VAL HGx% H 1 0.902 0.006 A 18 VAL HGy% H 1 0.943 0.006 A 18 VAL CA C 13 64.643 0.160 A 18 VAL CB C 13 31.568 0.160 A 18 VAL CGy C 13 23.523 0.160 A 18 VAL CGx C 13 23.160 0.160 A 18 VAL N N 15 126.326 0.102 A 19 LYS H H 1 9.195 0.006 A 19 LYS HA H 1 4.456 0.006 A 19 LYS HBx H 1 1.418 0.006 A 19 LYS HBy H 1 1.811 0.006 A 19 LYS HD2 H 1 1.376 0.006 A 19 LYS HD3 H 1 1.376 0.006 A 19 LYS HE2 H 1 2.945 0.006 A 19 LYS HE3 H 1 2.945 0.006 A 19 LYS HGy H 1 1.509 0.006 A 19 LYS HGx H 1 1.398 0.006 A 19 LYS CA C 13 54.524 0.160 A 19 LYS CB C 13 33.173 0.160 A 19 LYS CD C 13 28.859 0.160 A 19 LYS CE C 13 42.446 0.160 A 19 LYS CG C 13 23.881 0.160 A 19 LYS N N 15 129.061 0.102 A 20 GLU H H 1 7.661 0.006 A 20 GLU HA H 1 4.390 0.006 A 20 GLU HBx H 1 1.798 0.006 A 20 GLU HBy H 1 1.995 0.006 A 20 GLU HGy H 1 2.246 0.006 A 20 GLU HGx H 1 2.065 0.006 A 20 GLU CA C 13 54.118 0.160 A 20 GLU CB C 13 33.513 0.160 A 20 GLU CG C 13 36.742 0.160 A 20 GLU N N 15 118.305 0.102 A 21 PRO HA H 1 4.607 0.006 A 21 PRO HBy H 1 2.401 0.006 A 21 PRO HBx H 1 1.934 0.006 A 21 PRO HDy H 1 4.043 0.006 A 21 PRO HDx H 1 3.418 0.006 A 21 PRO HGy H 1 1.949 0.006 A 21 PRO HGx H 1 1.840 0.006 A 21 PRO CA C 13 62.630 0.160 A 21 PRO CB C 13 34.790 0.160 A 21 PRO CD C 13 50.294 0.160 A 21 PRO CG C 13 25.512 0.160 A 22 VAL H H 1 8.354 0.006 A 22 VAL HA H 1 4.017 0.006 A 22 VAL HB H 1 1.974 0.006 A 22 VAL HGx% H 1 0.948 0.006 A 22 VAL HGy% H 1 1.018 0.006 A 22 VAL CA C 13 62.374 0.160 A 22 VAL CB C 13 32.937 0.160 A 22 VAL CGy C 13 21.517 0.160 A 22 VAL CGx C 13 21.497 0.160 A 22 VAL N N 15 119.998 0.102 A 23 LEU H H 1 8.580 0.006 A 23 LEU HA H 1 4.447 0.006 A 23 LEU HBy H 1 1.839 0.006 A 23 LEU HBx H 1 1.464 0.006 A 23 LEU HDx% H 1 0.781 0.006 A 23 LEU HDy% H 1 0.737 0.006 A 23 LEU HG H 1 1.713 0.006 A 23 LEU CA C 13 54.190 0.160 A 23 LEU CB C 13 42.828 0.160 A 23 LEU CDy C 13 25.920 0.160 A 23 LEU CDx C 13 22.541 0.160 A 23 LEU CG C 13 27.121 0.160 A 23 LEU N N 15 128.343 0.102 A 24 GLN H H 1 8.142 0.006 A 24 GLN HA H 1 4.260 0.006 A 24 GLN HBy H 1 2.008 0.006 A 24 GLN HBx H 1 1.865 0.006 A 24 GLN HE2x H 1 6.754 0.006 A 24 GLN HE2y H 1 7.441 0.006 A 24 GLN HG2 H 1 2.260 0.006 A 24 GLN HG3 H 1 2.260 0.006 A 24 GLN CA C 13 55.598 0.160 A 24 GLN CB C 13 30.104 0.160 A 24 GLN CG C 13 34.165 0.160 A 24 GLN N N 15 117.971 0.102 A 24 GLN NE2 N 15 111.709 0.102 A 25 ASP H H 1 8.587 0.006 A 25 ASP HA H 1 4.206 0.006 A 25 ASP HBy H 1 2.701 0.006 A 25 ASP HBx H 1 2.572 0.006 A 25 ASP CA C 13 55.769 0.160 A 25 ASP CB C 13 39.962 0.160 A 25 ASP N N 15 117.501 0.102 A 26 ASP H H 1 8.336 0.006 A 26 ASP HA H 1 4.335 0.006 A 26 ASP HBx H 1 2.686 0.006 A 26 ASP HBy H 1 2.742 0.006 A 26 ASP CA C 13 55.159 0.160 A 26 ASP CB C 13 39.737 0.160 A 26 ASP N N 15 112.782 0.102 A 27 PHE H H 1 7.599 0.006 A 27 PHE HA H 1 4.427 0.006 A 27 PHE HBy H 1 3.020 0.006 A 27 PHE HBx H 1 2.638 0.006 A 27 PHE HDx H 1 7.082 0.006 A 27 PHE HDy H 1 7.082 0.006 A 27 PHE HEx H 1 7.269 0.006 A 27 PHE HEy H 1 7.269 0.006 A 27 PHE HZ H 1 7.212 0.006 A 27 PHE CA C 13 58.011 0.160 A 27 PHE CB C 13 40.533 0.160 A 27 PHE CDx C 13 128.390 0.160 A 27 PHE CEx C 13 128.443 0.160 A 27 PHE CZ C 13 127.000 0.160 A 27 PHE N N 15 118.623 0.102 A 28 VAL H H 1 8.567 0.006 A 28 VAL HA H 1 4.500 0.006 A 28 VAL HB H 1 1.940 0.006 A 28 VAL HGx% H 1 0.880 0.006 A 28 VAL HGy% H 1 0.905 0.006 A 28 VAL CA C 13 60.900 0.160 A 28 VAL CB C 13 36.175 0.160 A 28 VAL CGx C 13 21.030 0.160 A 28 VAL CGy C 13 21.846 0.160 A 28 VAL N N 15 119.117 0.102 A 29 THR H H 1 9.012 0.006 A 29 THR HA H 1 5.212 0.006 A 29 THR HB H 1 3.653 0.006 A 29 THR HG2% H 1 0.886 0.006 A 29 THR CA C 13 62.051 0.160 A 29 THR CB C 13 70.541 0.160 A 29 THR CG2 C 13 23.484 0.160 A 29 THR N N 15 124.304 0.102 A 30 CYS H H 1 8.859 0.006 A 30 CYS HA H 1 5.581 0.006 A 30 CYS HBx H 1 2.515 0.006 A 30 CYS HBy H 1 2.552 0.006 A 30 CYS CA C 13 56.066 0.160 A 30 CYS CB C 13 31.010 0.160 A 30 CYS N N 15 123.969 0.102 A 31 TYR H H 1 9.302 0.006 A 31 TYR HA H 1 5.165 0.006 A 31 TYR HBx H 1 2.295 0.006 A 31 TYR HBy H 1 2.565 0.006 A 31 TYR HDx H 1 6.578 0.006 A 31 TYR HDy H 1 6.578 0.006 A 31 TYR HEx H 1 6.479 0.006 A 31 TYR HEy H 1 6.479 0.006 A 31 TYR CA C 13 57.270 0.160 A 31 TYR CB C 13 43.631 0.160 A 31 TYR CDy C 13 129.978 0.160 A 31 TYR CEy C 13 115.734 0.160 A 31 TYR N N 15 125.131 0.102 A 32 THR H H 1 9.349 0.006 A 32 THR HA H 1 5.122 0.006 A 32 THR HB H 1 3.889 0.006 A 32 THR HG2% H 1 1.046 0.006 A 32 THR CA C 13 61.828 0.160 A 32 THR CB C 13 70.848 0.160 A 32 THR CG2 C 13 21.403 0.160 A 32 THR N N 15 118.682 0.102 A 33 PHE H H 1 9.177 0.006 A 33 PHE HA H 1 4.844 0.006 A 33 PHE HBy H 1 3.218 0.006 A 33 PHE HBx H 1 2.641 0.006 A 33 PHE HDx H 1 6.693 0.006 A 33 PHE HDy H 1 6.693 0.006 A 33 PHE CA C 13 57.983 0.160 A 33 PHE CB C 13 40.905 0.160 A 33 PHE CDx C 13 129.522 0.160 A 33 PHE N N 15 123.161 0.102 A 34 ASN H H 1 9.139 0.006 A 34 ASN HA H 1 5.355 0.006 A 34 ASN HBy H 1 3.265 0.006 A 34 ASN HBx H 1 2.871 0.006 A 34 ASN HD2y H 1 7.527 0.006 A 34 ASN HD2x H 1 6.906 0.006 A 34 ASN CA C 13 52.483 0.160 A 34 ASN CB C 13 41.443 0.160 A 34 ASN N N 15 119.699 0.102 A 34 ASN ND2 N 15 114.232 0.102 A 35 ALA H H 1 9.788 0.006 A 35 ALA HA H 1 4.167 0.006 A 35 ALA HB% H 1 1.525 0.006 A 35 ALA CA C 13 54.814 0.160 A 35 ALA CB C 13 18.405 0.160 A 35 ALA N N 15 128.044 0.102 A 36 ASP H H 1 7.872 0.006 A 36 ASP HA H 1 4.437 0.006 A 36 ASP HBy H 1 3.036 0.006 A 36 ASP HBx H 1 2.512 0.006 A 36 ASP CA C 13 53.395 0.160 A 36 ASP CB C 13 39.512 0.160 A 36 ASP N N 15 116.944 0.102 A 37 LYS H H 1 7.511 0.006 A 37 LYS HA H 1 3.264 0.006 A 37 LYS HBy H 1 2.141 0.006 A 37 LYS HBx H 1 1.988 0.006 A 37 LYS HDx H 1 1.375 0.006 A 37 LYS HDy H 1 1.495 0.006 A 37 LYS HE2 H 1 2.932 0.006 A 37 LYS HE3 H 1 2.932 0.006 A 37 LYS HGy H 1 1.217 0.006 A 37 LYS HGx H 1 1.040 0.006 A 37 LYS CA C 13 59.074 0.160 A 37 LYS CB C 13 27.597 0.160 A 37 LYS CD C 13 29.018 0.160 A 37 LYS CE C 13 42.583 0.160 A 37 LYS CG C 13 25.399 0.160 A 37 LYS N N 15 108.202 0.102 A 38 THR H H 1 7.823 0.006 A 38 THR HA H 1 5.403 0.006 A 38 THR HB H 1 4.430 0.006 A 38 THR HG2% H 1 1.128 0.006 A 38 THR CA C 13 61.011 0.160 A 38 THR CB C 13 72.829 0.160 A 38 THR CG2 C 13 22.265 0.160 A 38 THR N N 15 107.877 0.102 A 39 TYR H H 1 8.503 0.006 A 39 TYR HA H 1 5.714 0.006 A 39 TYR HB2 H 1 2.922 0.006 A 39 TYR HB3 H 1 2.922 0.006 A 39 TYR HDx H 1 6.680 0.006 A 39 TYR HDy H 1 6.680 0.006 A 39 TYR HEx H 1 7.081 0.006 A 39 TYR HEy H 1 7.081 0.006 A 39 TYR CA C 13 55.742 0.160 A 39 TYR CB C 13 43.579 0.160 A 39 TYR CDy C 13 129.570 0.160 A 39 TYR CEy C 13 115.951 0.160 A 39 TYR N N 15 117.837 0.102 A 40 GLU H H 1 8.816 0.006 A 40 GLU HA H 1 5.253 0.006 A 40 GLU HBx H 1 1.779 0.006 A 40 GLU HBy H 1 1.851 0.006 A 40 GLU HG2 H 1 2.041 0.006 A 40 GLU HG3 H 1 2.041 0.006 A 40 GLU CA C 13 54.059 0.160 A 40 GLU CB C 13 34.955 0.160 A 40 GLU CG C 13 36.941 0.160 A 40 GLU N N 15 118.677 0.102 A 41 VAL H H 1 9.097 0.006 A 41 VAL HA H 1 5.159 0.006 A 41 VAL HB H 1 1.684 0.006 A 41 VAL HGx% H 1 0.932 0.006 A 41 VAL HGy% H 1 0.136 0.006 A 41 VAL CA C 13 59.540 0.160 A 41 VAL CB C 13 35.324 0.160 A 41 VAL CGx C 13 20.283 0.160 A 41 VAL CGy C 13 20.948 0.160 A 41 VAL N N 15 121.838 0.102 A 42 TYR H H 1 8.381 0.006 A 42 TYR HA H 1 4.815 0.006 A 42 TYR HBy H 1 2.774 0.006 A 42 TYR HBx H 1 2.625 0.006 A 42 TYR HDx H 1 6.721 0.006 A 42 TYR HDy H 1 6.721 0.006 A 42 TYR HEx H 1 6.526 0.006 A 42 TYR HEy H 1 6.526 0.006 A 42 TYR CA C 13 56.841 0.160 A 42 TYR CB C 13 42.293 0.160 A 42 TYR CDy C 13 130.162 0.160 A 42 TYR CEy C 13 115.455 0.160 A 42 TYR N N 15 126.740 0.102 A 43 THR H H 1 7.957 0.006 A 43 THR HA H 1 5.126 0.006 A 43 THR HB H 1 3.641 0.006 A 43 THR HG2% H 1 0.980 0.006 A 43 THR CA C 13 60.915 0.160 A 43 THR CB C 13 70.667 0.160 A 43 THR CG2 C 13 21.661 0.160 A 43 THR N N 15 122.111 0.102 A 44 GLY H H 1 8.282 0.006 A 44 GLY HAy H 1 3.796 0.006 A 44 GLY CA C 13 45.038 0.160 A 44 GLY N N 15 112.123 0.102 A 45 SER H H 1 8.489 0.006 A 45 SER HA H 1 4.736 0.006 A 45 SER HBy H 1 3.818 0.006 A 45 SER HBx H 1 3.755 0.006 A 45 SER CA C 13 55.721 0.160 A 45 SER CB C 13 64.234 0.160 A 45 SER N N 15 118.181 0.102 A 46 PRO HA H 1 4.278 0.006 A 46 PRO HBx H 1 1.760 0.006 A 46 PRO HBy H 1 2.294 0.006 A 46 PRO HDy H 1 3.854 0.006 A 46 PRO HDx H 1 3.613 0.006 A 46 PRO HGy H 1 2.015 0.006 A 46 PRO HGx H 1 1.906 0.006 A 46 PRO CA C 13 64.903 0.160 A 46 PRO CB C 13 32.100 0.160 A 46 PRO CD C 13 51.050 0.160 A 46 PRO CG C 13 28.085 0.160 A 47 LEU H H 1 7.724 0.006 A 47 LEU HA H 1 4.276 0.006 A 47 LEU HBx H 1 1.479 0.006 A 47 LEU HBy H 1 1.528 0.006 A 47 LEU HDx% H 1 0.808 0.006 A 47 LEU HDy% H 1 0.752 0.006 A 47 LEU HG H 1 1.453 0.006 A 47 LEU CA C 13 54.820 0.160 A 47 LEU CB C 13 42.497 0.160 A 47 LEU CDy C 13 25.248 0.160 A 47 LEU CDx C 13 23.006 0.160 A 47 LEU CG C 13 27.361 0.160 A 47 LEU N N 15 115.053 0.102 A 48 SER H H 1 7.468 0.006 A 48 SER HA H 1 4.418 0.006 A 48 SER HBx H 1 3.756 0.006 A 48 SER HBy H 1 3.807 0.006 A 48 SER CA C 13 57.896 0.160 A 48 SER CB C 13 64.328 0.160 A 48 SER N N 15 114.930 0.102 A 49 ASN H H 1 8.561 0.006 A 49 ASN HA H 1 4.683 0.006 A 49 ASN HBy H 1 2.710 0.006 A 49 ASN HBx H 1 2.639 0.006 A 49 ASN HD2x H 1 6.758 0.006 A 49 ASN HD2y H 1 7.428 0.006 A 49 ASN CA C 13 53.247 0.160 A 49 ASN CB C 13 39.147 0.160 A 49 ASN N N 15 121.801 0.102 A 49 ASN ND2 N 15 112.533 0.102 A 50 GLY H H 1 7.886 0.006 A 50 GLY HAy H 1 4.131 0.006 A 50 GLY CA C 13 45.049 0.160 A 50 GLY N N 15 108.685 0.102 A 51 VAL H H 1 8.234 0.006 A 51 VAL HA H 1 4.394 0.006 A 51 VAL HB H 1 1.965 0.006 A 51 VAL HG1% H 1 0.899 0.006 A 51 VAL HG2% H 1 0.899 0.006 A 51 VAL CA C 13 59.658 0.160 A 51 VAL CB C 13 33.484 0.160 A 51 VAL CGx C 13 20.820 0.160 A 51 VAL CGy C 13 20.823 0.160 A 51 VAL N N 15 121.162 0.102 A 52 PRO HA H 1 4.661 0.006 A 52 PRO HBy H 1 2.014 0.006 A 52 PRO HBx H 1 1.635 0.006 A 52 PRO HDx H 1 3.613 0.006 A 52 PRO HDy H 1 3.790 0.006 A 52 PRO HGx H 1 1.774 0.006 A 52 PRO HGy H 1 1.838 0.006 A 52 PRO CA C 13 62.893 0.160 A 52 PRO CB C 13 32.896 0.160 A 52 PRO CD C 13 51.105 0.160 A 52 PRO CG C 13 27.290 0.160 A 53 PHE H H 1 8.846 0.006 A 53 PHE HA H 1 4.578 0.006 A 53 PHE HBy H 1 3.132 0.006 A 53 PHE HBx H 1 3.026 0.006 A 53 PHE HDx H 1 7.188 0.006 A 53 PHE HDy H 1 7.188 0.006 A 53 PHE HEx H 1 7.384 0.006 A 53 PHE HEy H 1 7.384 0.006 A 53 PHE HZ H 1 7.340 0.006 A 53 PHE CA C 13 57.762 0.160 A 53 PHE CB C 13 40.652 0.160 A 53 PHE CDx C 13 129.239 0.160 A 53 PHE CEx C 13 128.956 0.160 A 53 PHE CZ C 13 126.798 0.160 A 53 PHE N N 15 123.537 0.102 A 54 ARG H H 1 7.776 0.006 A 54 ARG HA H 1 4.894 0.006 A 54 ARG HBy H 1 1.718 0.006 A 54 ARG HBx H 1 1.426 0.006 A 54 ARG HD2 H 1 3.061 0.006 A 54 ARG HD3 H 1 3.061 0.006 A 54 ARG HG2 H 1 1.430 0.006 A 54 ARG HG3 H 1 1.430 0.006 A 54 ARG CA C 13 54.601 0.160 A 54 ARG CB C 13 33.401 0.160 A 54 ARG CD C 13 43.587 0.160 A 54 ARG CG C 13 28.520 0.160 A 54 ARG N N 15 124.570 0.102 A 55 GLY H H 1 7.142 0.006 A 55 GLY HAy H 1 4.107 0.006 A 55 GLY CA C 13 45.542 0.160 A 55 GLY N N 15 107.998 0.102 A 56 THR H H 1 8.522 0.006 A 56 THR HA H 1 5.777 0.006 A 56 THR HB H 1 4.354 0.006 A 56 THR HG2% H 1 1.121 0.006 A 56 THR CA C 13 60.409 0.160 A 56 THR CB C 13 72.641 0.160 A 56 THR CG2 C 13 22.395 0.160 A 56 THR N N 15 114.021 0.102 A 57 TYR H H 1 8.739 0.006 A 57 TYR HA H 1 6.256 0.006 A 57 TYR HBy H 1 2.900 0.006 A 57 TYR HBx H 1 2.844 0.006 A 57 TYR HDx H 1 6.808 0.006 A 57 TYR HDy H 1 6.808 0.006 A 57 TYR CA C 13 55.645 0.160 A 57 TYR CB C 13 43.352 0.160 A 57 TYR CDx C 13 130.714 0.160 A 57 TYR N N 15 115.684 0.102 A 58 ILE H H 1 8.972 0.006 A 58 ILE HA H 1 4.355 0.006 A 58 ILE HB H 1 1.718 0.006 A 58 ILE HD1% H 1 0.702 0.006 A 58 ILE HG1y H 1 1.446 0.006 A 58 ILE HG1x H 1 1.070 0.006 A 58 ILE HG2% H 1 0.824 0.006 A 58 ILE CA C 13 60.009 0.160 A 58 ILE CB C 13 42.925 0.160 A 58 ILE CD1 C 13 13.408 0.160 A 58 ILE CG1 C 13 27.948 0.160 A 58 ILE CG2 C 13 17.730 0.160 A 58 ILE N N 15 118.048 0.102 A 59 ILE H H 1 8.566 0.006 A 59 ILE HA H 1 5.004 0.006 A 59 ILE HB H 1 1.676 0.006 A 59 ILE HD1% H 1 0.698 0.006 A 59 ILE HG12 H 1 1.478 0.006 A 59 ILE HG13 H 1 1.478 0.006 A 59 ILE HG2% H 1 0.727 0.006 A 59 ILE CA C 13 58.275 0.160 A 59 ILE CB C 13 40.709 0.160 A 59 ILE CD1 C 13 14.010 0.160 A 59 ILE CG1 C 13 27.912 0.160 A 59 ILE CG2 C 13 16.677 0.160 A 59 ILE N N 15 124.887 0.102 A 60 SER H H 1 8.913 0.006 A 60 SER HA H 1 4.835 0.006 A 60 SER HBy H 1 3.915 0.006 A 60 SER HBx H 1 3.716 0.006 A 60 SER CA C 13 55.735 0.160 A 60 SER CB C 13 63.250 0.160 A 60 SER N N 15 122.768 0.102 A 61 LEU H H 1 8.943 0.006 A 61 LEU HA H 1 3.846 0.006 A 61 LEU HB2 H 1 1.641 0.006 A 61 LEU HB3 H 1 1.641 0.006 A 61 LEU HDx% H 1 0.907 0.006 A 61 LEU HDy% H 1 0.853 0.006 A 61 LEU HG H 1 1.641 0.006 A 61 LEU CA C 13 58.659 0.160 A 61 LEU CB C 13 41.962 0.160 A 61 LEU CDy C 13 24.563 0.160 A 61 LEU CDx C 13 24.214 0.160 A 61 LEU CG C 13 27.350 0.160 A 61 LEU N N 15 129.303 0.102 A 62 ASP H H 1 8.630 0.006 A 62 ASP HA H 1 4.303 0.006 A 62 ASP HB2 H 1 2.535 0.006 A 62 ASP HB3 H 1 2.535 0.006 A 62 ASP CA C 13 57.114 0.160 A 62 ASP CB C 13 40.178 0.160 A 62 ASP N N 15 118.454 0.102 A 63 GLU H H 1 7.505 0.006 A 63 GLU HA H 1 4.231 0.006 A 63 GLU HB2 H 1 2.117 0.006 A 63 GLU HB3 H 1 2.117 0.006 A 63 GLU HGx H 1 2.128 0.006 A 63 GLU CA C 13 55.915 0.160 A 63 GLU CB C 13 31.398 0.160 A 63 GLU CG C 13 37.173 0.160 A 63 GLU N N 15 115.083 0.102 A 64 LYS H H 1 7.833 0.006 A 64 LYS N N 15 117.578 0.102 A 65 LEU H H 1 7.498 0.006 A 65 LEU HA H 1 5.150 0.006 A 65 LEU HBy H 1 1.370 0.006 A 65 LEU HBx H 1 1.196 0.006 A 65 LEU HDx% H 1 0.568 0.006 A 65 LEU HDy% H 1 0.406 0.006 A 65 LEU HG H 1 1.159 0.006 A 65 LEU CA C 13 53.355 0.160 A 65 LEU CB C 13 47.627 0.160 A 65 LEU CDy C 13 25.610 0.160 A 65 LEU CDx C 13 24.079 0.160 A 65 LEU CG C 13 27.242 0.160 A 65 LEU N N 15 119.527 0.102 A 66 ILE H H 1 8.963 0.006 A 66 ILE HA H 1 5.003 0.006 A 66 ILE HB H 1 1.123 0.006 A 66 ILE HD1% H 1 -0.036 0.006 A 66 ILE HG1x H 1 0.489 0.006 A 66 ILE HG1y H 1 1.278 0.006 A 66 ILE HG2% H 1 0.179 0.006 A 66 ILE CA C 13 58.348 0.160 A 66 ILE CB C 13 42.093 0.160 A 66 ILE CD1 C 13 14.850 0.160 A 66 ILE CG1 C 13 28.991 0.160 A 66 ILE CG2 C 13 14.935 0.160 A 66 ILE N N 15 123.527 0.102 A 67 LYS H H 1 8.419 0.006 A 67 LYS HA H 1 4.407 0.006 A 67 LYS HBy H 1 1.604 0.006 A 67 LYS HBx H 1 1.407 0.006 A 67 LYS HD2 H 1 1.387 0.006 A 67 LYS HD3 H 1 1.387 0.006 A 67 LYS HE2 H 1 2.725 0.006 A 67 LYS HE3 H 1 2.725 0.006 A 67 LYS HGy H 1 1.172 0.006 A 67 LYS HGx H 1 0.980 0.006 A 67 LYS CA C 13 55.282 0.160 A 67 LYS CB C 13 36.248 0.160 A 67 LYS CD C 13 30.377 0.160 A 67 LYS CE C 13 42.090 0.160 A 67 LYS CG C 13 25.525 0.160 A 67 LYS N N 15 125.168 0.102 A 68 LEU H H 1 8.534 0.006 A 68 LEU HA H 1 4.798 0.006 A 68 LEU HBy H 1 1.485 0.006 A 68 LEU HBx H 1 1.427 0.006 A 68 LEU HDx% H 1 0.422 0.006 A 68 LEU HDy% H 1 0.188 0.006 A 68 LEU HG H 1 0.939 0.006 A 68 LEU CA C 13 54.830 0.160 A 68 LEU CB C 13 40.826 0.160 A 68 LEU CDx C 13 25.191 0.160 A 68 LEU CDy C 13 25.279 0.160 A 68 LEU CG C 13 28.940 0.160 A 68 LEU N N 15 123.218 0.102 A 69 TYR H H 1 9.511 0.006 A 69 TYR HA H 1 5.424 0.006 A 69 TYR HBy H 1 3.115 0.006 A 69 TYR HBx H 1 2.782 0.006 A 69 TYR HDx H 1 6.721 0.006 A 69 TYR HDy H 1 6.721 0.006 A 69 TYR HEx H 1 6.523 0.006 A 69 TYR HEy H 1 6.523 0.006 A 69 TYR CA C 13 57.166 0.160 A 69 TYR CB C 13 42.319 0.160 A 69 TYR CDx C 13 129.971 0.160 A 69 TYR CEx C 13 115.140 0.160 A 69 TYR N N 15 119.751 0.102 A 70 ASP H H 1 8.707 0.006 A 70 ASP HA H 1 5.042 0.006 A 70 ASP HBy H 1 3.563 0.006 A 70 ASP HBx H 1 2.933 0.006 A 70 ASP CA C 13 52.428 0.160 A 70 ASP CB C 13 42.210 0.160 A 70 ASP N N 15 120.335 0.102 A 71 LYS H H 1 8.553 0.006 A 71 LYS HA H 1 4.205 0.006 A 71 LYS HB2 H 1 1.889 0.006 A 71 LYS HB3 H 1 1.889 0.006 A 71 LYS HD2 H 1 1.617 0.006 A 71 LYS HD3 H 1 1.617 0.006 A 71 LYS HE2 H 1 2.902 0.006 A 71 LYS HE3 H 1 2.902 0.006 A 71 LYS HGy H 1 1.453 0.006 A 71 LYS HGx H 1 1.397 0.006 A 71 LYS CA C 13 58.189 0.160 A 71 LYS CB C 13 32.224 0.160 A 71 LYS CD C 13 29.308 0.160 A 71 LYS CE C 13 42.233 0.160 A 71 LYS CG C 13 24.829 0.160 A 71 LYS N N 15 117.975 0.102 A 72 GLU H H 1 8.067 0.006 A 72 GLU HA H 1 4.276 0.006 A 72 GLU HBx H 1 1.698 0.006 A 72 GLU HBy H 1 2.018 0.006 A 72 GLU HG2 H 1 2.116 0.006 A 72 GLU HG3 H 1 2.116 0.006 A 72 GLU CA C 13 55.823 0.160 A 72 GLU CB C 13 29.639 0.160 A 72 GLU CG C 13 37.121 0.160 A 72 GLU N N 15 119.779 0.102 A 73 GLU H H 1 8.163 0.006 A 73 GLU HA H 1 3.606 0.006 A 73 GLU HBx H 1 2.051 0.006 A 73 GLU HBy H 1 2.098 0.006 A 73 GLU HG2 H 1 1.946 0.006 A 73 GLU HG3 H 1 1.946 0.006 A 73 GLU CA C 13 58.091 0.160 A 73 GLU CB C 13 26.900 0.160 A 73 GLU CG C 13 36.945 0.160 A 73 GLU N N 15 112.572 0.102 A 74 HIS H H 1 8.663 0.006 A 74 HIS HA H 1 4.872 0.006 A 74 HIS HBy H 1 3.237 0.006 A 74 HIS HBx H 1 3.201 0.006 A 74 HIS HD2 H 1 7.165 0.006 A 74 HIS HE1 H 1 8.470 0.006 A 74 HIS CA C 13 54.491 0.160 A 74 HIS CB C 13 28.650 0.160 A 74 HIS CD2 C 13 116.752 0.160 A 74 HIS CE1 C 13 132.728 0.160 A 74 HIS N N 15 118.561 0.102 A 75 CYS H H 1 8.939 0.006 A 75 CYS HA H 1 4.050 0.006 A 75 CYS HBx H 1 2.378 0.006 A 75 CYS CA C 13 58.539 0.160 A 75 CYS CB C 13 26.305 0.160 A 75 CYS N N 15 126.459 0.102 A 76 THR H H 1 9.052 0.006 A 76 THR HA H 1 4.115 0.006 A 76 THR HB H 1 4.058 0.006 A 76 THR HG2% H 1 1.219 0.006 A 76 THR CA C 13 62.701 0.160 A 76 THR CB C 13 68.451 0.160 A 76 THR CG2 C 13 24.006 0.160 A 76 THR N N 15 123.868 0.102 A 77 GLU H H 1 7.257 0.006 A 77 GLU HA H 1 4.175 0.006 A 77 GLU HBy H 1 1.914 0.006 A 77 GLU HBx H 1 1.456 0.006 A 77 GLU HG2 H 1 2.194 0.006 A 77 GLU HG3 H 1 2.194 0.006 A 77 GLU CA C 13 54.697 0.160 A 77 GLU CB C 13 34.100 0.160 A 77 GLU CG C 13 36.378 0.160 A 77 GLU N N 15 120.185 0.102 A 78 GLN H H 1 8.845 0.006 A 78 GLN HA H 1 4.697 0.006 A 78 GLN HBy H 1 1.624 0.006 A 78 GLN HBx H 1 1.434 0.006 A 78 GLN HE2y H 1 7.249 0.006 A 78 GLN HE2x H 1 6.418 0.006 A 78 GLN HGx H 1 1.816 0.006 A 78 GLN HGy H 1 1.904 0.006 A 78 GLN CA C 13 53.933 0.160 A 78 GLN CB C 13 31.842 0.160 A 78 GLN CG C 13 33.276 0.160 A 78 GLN N N 15 118.401 0.102 A 78 GLN NE2 N 15 110.657 0.102 A 79 TYR H H 1 8.302 0.006 A 79 TYR HA H 1 4.850 0.006 A 79 TYR HBy H 1 2.107 0.006 A 79 TYR HBx H 1 1.137 0.006 A 79 TYR CA C 13 55.999 0.160 A 79 TYR CB C 13 41.813 0.160 A 79 TYR N N 15 116.069 0.102 A 80 HIS H H 1 9.440 0.006 A 80 HIS HA H 1 5.173 0.006 A 80 HIS HBy H 1 3.203 0.006 A 80 HIS HBx H 1 2.997 0.006 A 80 HIS HD2 H 1 7.231 0.006 A 80 HIS HE1 H 1 8.530 0.006 A 80 HIS CA C 13 55.121 0.160 A 80 HIS CB C 13 29.720 0.160 A 80 HIS CD2 C 13 117.086 0.160 A 80 HIS CE1 C 13 133.726 0.160 A 80 HIS N N 15 119.747 0.102 A 81 ILE H H 1 8.971 0.006 A 81 ILE HA H 1 4.220 0.006 A 81 ILE HB H 1 1.524 0.006 A 81 ILE HD1% H 1 0.419 0.006 A 81 ILE HG1y H 1 1.415 0.006 A 81 ILE HG1x H 1 0.517 0.006 A 81 ILE HG2% H 1 0.665 0.006 A 81 ILE CA C 13 61.739 0.160 A 81 ILE CB C 13 38.354 0.160 A 81 ILE CD1 C 13 13.377 0.160 A 81 ILE CG1 C 13 27.429 0.160 A 81 ILE CG2 C 13 20.222 0.160 A 81 ILE N N 15 126.268 0.102 A 82 LEU H H 1 8.274 0.006 A 82 LEU HA H 1 4.094 0.006 A 82 LEU HBx H 1 1.266 0.006 A 82 LEU HBy H 1 1.526 0.006 A 82 LEU HDx% H 1 0.625 0.006 A 82 LEU HDy% H 1 0.775 0.006 A 82 LEU HG H 1 1.480 0.006 A 82 LEU CA C 13 55.392 0.160 A 82 LEU CB C 13 43.115 0.160 A 82 LEU CDx C 13 22.764 0.160 A 82 LEU CDy C 13 25.676 0.160 A 82 LEU CG C 13 27.797 0.160 A 82 LEU N N 15 127.552 0.102 A 83 LYS H H 1 7.208 0.006 A 83 LYS HA H 1 4.200 0.006 A 83 LYS HBy H 1 1.891 0.006 A 83 LYS HBx H 1 1.200 0.006 A 83 LYS HDy H 1 1.623 0.006 A 83 LYS HDx H 1 1.390 0.006 A 83 LYS HEy H 1 2.974 0.006 A 83 LYS HEx H 1 2.775 0.006 A 83 LYS HGx H 1 1.204 0.006 A 83 LYS HGy H 1 1.444 0.006 A 83 LYS CA C 13 55.693 0.160 A 83 LYS CB C 13 36.922 0.160 A 83 LYS CD C 13 30.483 0.160 A 83 LYS CE C 13 42.977 0.160 A 83 LYS CG C 13 25.834 0.160 A 83 LYS N N 15 115.809 0.102 A 84 LEU H H 1 9.677 0.006 A 84 LEU HA H 1 4.834 0.006 A 84 LEU HBx H 1 1.446 0.006 A 84 LEU HBy H 1 1.480 0.006 A 84 LEU HDx% H 1 0.612 0.006 A 84 LEU HDy% H 1 0.838 0.006 A 84 LEU CA C 13 53.614 0.160 A 84 LEU CB C 13 43.767 0.160 A 84 LEU CDy C 13 26.856 0.160 A 84 LEU CDx C 13 24.425 0.160 A 84 LEU N N 15 129.953 0.102 A 85 THR H H 1 9.203 0.006 A 85 THR HA H 1 4.897 0.006 A 85 THR HG2% H 1 1.194 0.006 A 85 THR CA C 13 58.717 0.160 A 85 THR CB C 13 72.356 0.160 A 85 THR CG2 C 13 22.661 0.160 A 85 THR N N 15 119.648 0.102 A 86 SER H H 1 8.457 0.006 A 86 SER HA H 1 4.165 0.006 A 86 SER HBy H 1 3.913 0.006 A 86 SER HBx H 1 3.781 0.006 A 86 SER CA C 13 60.370 0.160 A 86 SER CB C 13 63.258 0.160 A 86 SER N N 15 108.790 0.102 A 87 LYS H H 1 7.873 0.006 A 87 LYS HA H 1 4.514 0.006 A 87 LYS HBy H 1 1.809 0.006 A 87 LYS HBx H 1 1.584 0.006 A 87 LYS HD2 H 1 1.575 0.006 A 87 LYS HD3 H 1 1.575 0.006 A 87 LYS HE2 H 1 2.867 0.006 A 87 LYS HE3 H 1 2.867 0.006 A 87 LYS HGx H 1 1.294 0.006 A 87 LYS HGy H 1 1.366 0.006 A 87 LYS CA C 13 56.479 0.160 A 87 LYS CB C 13 36.364 0.160 A 87 LYS CD C 13 29.140 0.160 A 87 LYS CE C 13 42.226 0.160 A 87 LYS CG C 13 25.000 0.160 A 87 LYS N N 15 116.161 0.102 A 88 GLU H H 1 7.879 0.006 A 88 GLU HA H 1 5.463 0.006 A 88 GLU HBy H 1 1.876 0.006 A 88 GLU HBx H 1 1.816 0.006 A 88 GLU HGx H 1 1.970 0.006 A 88 GLU HGy H 1 2.132 0.006 A 88 GLU CA C 13 55.595 0.160 A 88 GLU CB C 13 35.601 0.160 A 88 GLU CG C 13 37.546 0.160 A 88 GLU N N 15 119.485 0.102 A 89 MET H H 1 8.577 0.006 A 89 MET HA H 1 4.940 0.006 A 89 MET HBy H 1 0.989 0.006 A 89 MET HBx H 1 0.719 0.006 A 89 MET HE% H 1 0.012 0.006 A 89 MET HGx H 1 1.219 0.006 A 89 MET HGy H 1 2.121 0.006 A 89 MET CA C 13 53.785 0.160 A 89 MET CB C 13 36.210 0.160 A 89 MET CE C 13 12.651 0.160 A 89 MET CG C 13 28.541 0.160 A 89 MET N N 15 122.595 0.102 A 90 LYS H H 1 8.398 0.006 A 90 LYS HA H 1 4.795 0.006 A 90 LYS HBx H 1 1.440 0.006 A 90 LYS HBy H 1 1.810 0.006 A 90 LYS HD2 H 1 1.527 0.006 A 90 LYS HD3 H 1 1.527 0.006 A 90 LYS HE2 H 1 2.727 0.006 A 90 LYS HE3 H 1 2.727 0.006 A 90 LYS HGx H 1 1.185 0.006 A 90 LYS HGy H 1 1.239 0.006 A 90 LYS CA C 13 55.353 0.160 A 90 LYS CB C 13 36.763 0.160 A 90 LYS CD C 13 29.831 0.160 A 90 LYS CE C 13 42.226 0.160 A 90 LYS CG C 13 26.364 0.160 A 90 LYS N N 15 124.449 0.102 A 91 TRP H H 1 9.114 0.006 A 91 TRP HA H 1 5.514 0.006 A 91 TRP HBx H 1 2.587 0.006 A 91 TRP HBy H 1 2.590 0.006 A 91 TRP HD1 H 1 6.430 0.006 A 91 TRP HE1 H 1 8.705 0.006 A 91 TRP HE3 H 1 6.392 0.006 A 91 TRP HH2 H 1 6.704 0.006 A 91 TRP HZ2 H 1 6.207 0.006 A 91 TRP HZ3 H 1 5.524 0.006 A 91 TRP CA C 13 52.510 0.160 A 91 TRP CB C 13 34.752 0.160 A 91 TRP CD1 C 13 127.015 0.160 A 91 TRP CE3 C 13 117.658 0.160 A 91 TRP CH2 C 13 124.975 0.160 A 91 TRP CZ2 C 13 108.929 0.160 A 91 TRP CZ3 C 13 120.669 0.160 A 91 TRP N N 15 125.457 0.102 A 91 TRP NE1 N 15 122.222 0.102 A 92 GLU H H 1 9.129 0.006 A 92 GLU HA H 1 4.875 0.006 A 92 GLU HB2 H 1 2.008 0.006 A 92 GLU HB3 H 1 2.008 0.006 A 92 GLU HGy H 1 2.338 0.006 A 92 GLU HGx H 1 2.108 0.006 A 92 GLU C C 13 176.109 0.160 A 92 GLU CA C 13 53.610 0.160 A 92 GLU CB C 13 33.384 0.160 A 92 GLU CG C 13 36.922 0.160 A 92 GLU N N 15 123.111 0.102 A 93 ASN H H 1 9.676 0.006 A 93 ASN HA H 1 4.403 0.006 A 93 ASN HBx H 1 2.542 0.006 A 93 ASN HBy H 1 2.975 0.006 A 93 ASN HD2y H 1 7.952 0.006 A 93 ASN HD2x H 1 7.647 0.006 A 93 ASN CA C 13 54.992 0.160 A 93 ASN CB C 13 37.603 0.160 A 93 ASN N N 15 126.757 0.102 A 93 ASN ND2 N 15 116.812 0.102 A 94 ALA H H 1 8.563 0.006 A 94 ALA HA H 1 4.205 0.006 A 94 ALA HB% H 1 0.738 0.006 A 94 ALA CA C 13 52.062 0.160 A 94 ALA CB C 13 19.010 0.160 A 94 ALA N N 15 130.509 0.102 A 95 SER H H 1 8.343 0.006 A 95 SER HA H 1 4.545 0.006 A 95 SER HBx H 1 3.457 0.006 A 95 SER HBy H 1 3.628 0.006 A 95 SER CA C 13 54.544 0.160 A 95 SER CB C 13 63.081 0.160 A 95 SER N N 15 114.601 0.102 A 96 PRO HA H 1 4.304 0.006 A 96 PRO HBx H 1 1.864 0.006 A 96 PRO HBy H 1 2.269 0.006 A 96 PRO HDy H 1 3.503 0.006 A 96 PRO HDx H 1 3.277 0.006 A 96 PRO HG2 H 1 1.877 0.006 A 96 PRO HG3 H 1 1.877 0.006 A 96 PRO CA C 13 64.589 0.160 A 96 PRO CB C 13 32.258 0.160 A 96 PRO CD C 13 50.304 0.160 A 96 PRO CG C 13 27.420 0.160 A 97 LYS H H 1 8.267 0.006 A 97 LYS HA H 1 4.148 0.006 A 97 LYS HBy H 1 1.771 0.006 A 97 LYS HBx H 1 1.699 0.006 A 97 LYS HDx H 1 1.567 0.006 A 97 LYS HDy H 1 1.771 0.006 A 97 LYS HE2 H 1 2.973 0.006 A 97 LYS HE3 H 1 2.973 0.006 A 97 LYS HG2 H 1 1.292 0.006 A 97 LYS HG3 H 1 1.292 0.006 A 97 LYS CA C 13 57.447 0.160 A 97 LYS CB C 13 31.991 0.160 A 97 LYS CD C 13 29.482 0.160 A 97 LYS CE C 13 42.509 0.160 A 97 LYS CG C 13 25.003 0.160 A 97 LYS N N 15 118.117 0.102 A 98 ASP H H 1 8.333 0.006 A 98 ASP HA H 1 4.325 0.006 A 98 ASP HBy H 1 2.875 0.006 A 98 ASP HBx H 1 2.541 0.006 A 98 ASP CA C 13 54.598 0.160 A 98 ASP CB C 13 40.782 0.160 A 98 ASP N N 15 119.820 0.102 A 99 GLY H H 1 7.907 0.006 A 99 GLY HAy H 1 4.091 0.006 A 99 GLY CA C 13 45.636 0.160 A 99 GLY N N 15 107.593 0.102 A 100 ASN H H 1 8.557 0.006 A 100 ASN HA H 1 4.720 0.006 A 100 ASN HBy H 1 2.897 0.006 A 100 ASN HBx H 1 2.650 0.006 A 100 ASN HD2x H 1 6.824 0.006 A 100 ASN HD2y H 1 7.799 0.006 A 100 ASN C C 13 175.832 0.160 A 100 ASN CA C 13 53.853 0.160 A 100 ASN CB C 13 38.772 0.160 A 100 ASN N N 15 119.859 0.102 A 100 ASN ND2 N 15 115.644 0.102 A 101 SER H H 1 8.526 0.006 A 101 SER HA H 1 4.533 0.006 A 101 SER HBx H 1 3.923 0.006 A 101 SER HBy H 1 3.989 0.006 A 101 SER C C 13 175.075 0.160 A 101 SER CA C 13 57.658 0.160 A 101 SER CB C 13 64.927 0.160 A 101 SER N N 15 117.380 0.102 A 102 ASP H H 1 8.474 0.006 A 102 ASP HA H 1 4.606 0.006 A 102 ASP HBx H 1 2.559 0.006 A 102 ASP HBy H 1 3.049 0.006 A 102 ASP C C 13 177.297 0.160 A 102 ASP CA C 13 55.558 0.160 A 102 ASP CB C 13 40.668 0.160 A 102 ASP N N 15 123.193 0.102 A 103 LYS H H 1 8.159 0.006 A 103 LYS HA H 1 5.397 0.006 A 103 LYS HBx H 1 1.206 0.006 A 103 LYS HBy H 1 1.530 0.006 A 103 LYS HDy H 1 1.610 0.006 A 103 LYS HDx H 1 1.428 0.006 A 103 LYS HEx H 1 3.200 0.006 A 103 LYS HEy H 1 3.387 0.006 A 103 LYS HGx H 1 1.357 0.006 A 103 LYS HGy H 1 1.612 0.006 A 103 LYS CA C 13 55.561 0.160 A 103 LYS CB C 13 39.951 0.160 A 103 LYS CD C 13 30.018 0.160 A 103 LYS CE C 13 43.134 0.160 A 103 LYS CG C 13 25.995 0.160 A 103 LYS N N 15 117.188 0.102 A 104 ARG H H 1 8.714 0.006 A 104 ARG HA H 1 4.808 0.006 A 104 ARG HBx H 1 1.602 0.006 A 104 ARG HBy H 1 1.751 0.006 A 104 ARG HDx H 1 2.796 0.006 A 104 ARG HDy H 1 2.952 0.006 A 104 ARG HGx H 1 1.516 0.006 A 104 ARG HGy H 1 1.656 0.006 A 104 ARG C C 13 174.517 0.160 A 104 ARG CA C 13 55.684 0.160 A 104 ARG CB C 13 33.949 0.160 A 104 ARG CD C 13 41.555 0.160 A 104 ARG CG C 13 27.215 0.160 A 104 ARG N N 15 122.088 0.102 A 105 LEU H H 1 9.414 0.006 A 105 LEU HA H 1 5.489 0.006 A 105 LEU HBy H 1 1.664 0.006 A 105 LEU HBx H 1 0.907 0.006 A 105 LEU HD1% H 1 -0.954 0.006 A 105 LEU HD2% H 1 -0.186 0.006 A 105 LEU HG H 1 0.926 0.006 A 105 LEU CA C 13 55.142 0.160 A 105 LEU CB C 13 45.852 0.160 A 105 LEU CDx C 13 24.914 0.160 A 105 LEU CDy C 13 28.426 0.160 A 105 LEU CG C 13 28.766 0.160 A 105 LEU N N 15 126.226 0.102 A 106 GLU H H 1 9.087 0.006 A 106 GLU HA H 1 5.345 0.006 A 106 GLU HBy H 1 2.027 0.006 A 106 GLU HBx H 1 1.725 0.006 A 106 GLU HGy H 1 2.342 0.006 A 106 GLU HGx H 1 2.214 0.006 A 106 GLU CA C 13 54.248 0.160 A 106 GLU CB C 13 34.552 0.160 A 106 GLU CG C 13 37.333 0.160 A 106 GLU N N 15 120.408 0.102 A 107 LYS H H 1 7.497 0.006 A 107 LYS HA H 1 3.474 0.006 A 107 LYS HBy H 1 1.198 0.006 A 107 LYS HBx H 1 0.147 0.006 A 107 LYS HDy H 1 1.004 0.006 A 107 LYS HDx H 1 0.946 0.006 A 107 LYS HEx H 1 2.422 0.006 A 107 LYS HEy H 1 2.615 0.006 A 107 LYS HG2 H 1 0.078 0.006 A 107 LYS HG3 H 1 0.078 0.006 A 107 LYS CA C 13 56.904 0.160 A 107 LYS CB C 13 32.373 0.160 A 107 LYS CD C 13 28.600 0.160 A 107 LYS CE C 13 42.965 0.160 A 107 LYS CG C 13 25.063 0.160 A 107 LYS N N 15 127.864 0.102 A 108 TYR H H 1 8.699 0.006 A 108 TYR HA H 1 4.441 0.006 A 108 TYR HBy H 1 2.671 0.006 A 108 TYR HBx H 1 2.637 0.006 A 108 TYR HDx H 1 6.913 0.006 A 108 TYR HDy H 1 6.913 0.006 A 108 TYR HEx H 1 6.682 0.006 A 108 TYR HEy H 1 6.682 0.006 A 108 TYR CA C 13 57.519 0.160 A 108 TYR CB C 13 40.123 0.160 A 108 TYR CDx C 13 130.035 0.160 A 108 TYR CEx C 13 115.692 0.160 A 108 TYR N N 15 127.870 0.102 A 109 ASN H H 1 8.065 0.006 A 109 ASN HA H 1 4.576 0.006 A 109 ASN HBx H 1 2.404 0.006 A 109 ASN HBy H 1 2.608 0.006 A 109 ASN HD2x H 1 6.732 0.006 A 109 ASN HD2y H 1 7.440 0.006 A 109 ASN CA C 13 53.020 0.160 A 109 ASN CB C 13 40.596 0.160 A 109 ASN N N 15 123.534 0.102 A 109 ASN ND2 N 15 113.078 0.102 A 110 ASP H H 1 7.432 0.006 A 110 ASP HA H 1 4.201 0.006 A 110 ASP HBy H 1 2.539 0.006 A 110 ASP HBx H 1 2.346 0.006 A 110 ASP CA C 13 55.702 0.160 A 110 ASP CB C 13 42.256 0.160 A 110 ASP N N 15 125.826 0.102 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 93 ASN HA A 94 ALA H 1.0 . 3.55 2 2 A 84 LEU H A 7 VAL HGy% 1.0 . 4.77 3 3 A 84 LEU H A 83 LYS HBy 1.0 . 5.50 4 4 A 61 LEU H A 62 ASP HA 1.0 . 5.50 5 5 A 16 TRP HE1 A 33 PHE HBy 1.0 . 5.50 6 6 A 84 LEU H A 8 GLU H 1.0 . 4.96 7 7 A 8 GLU H A 84 LEU HBy 1.0 . 3.86 8 8 A 8 GLU H A 85 THR HG2% 1.0 . 5.50 9 9 A 8 GLU H A 7 VAL HGy% 1.0 . 4.59 10 10 A 16 TRP HE1 A 84 LEU HDx% 1.0 . 5.50 11 11 A 16 TRP HE1 A 14 GLY HAy 1.0 . 5.50 12 12 A 16 TRP HE1 A 14 GLY H 1.0 . 5.48 13 13 A 16 TRP HE1 A 107 LYS HEx 1.0 . 4.98 14 14 A 16 TRP HE1 A 12 LEU HG 1.0 . 5.10 15 15 A 16 TRP HE1 A 107 LYS HEy 1.0 . 5.50 16 16 A 18 VAL H A 19 LYS H 1.0 . 5.13 17 17 A 19 LYS H A 18 VAL HA 1.0 . 3.21 18 18 A 19 LYS H A 19 LYS HBx 1.0 . 3.57 19 19 A 19 LYS H A 18 VAL HB 1.0 . 5.50 20 20 A 19 LYS H A 105 LEU HD2% 1.0 . 5.50 21 21 A 19 LYS H A 105 LEU HD1% 1.0 . 5.50 22 22 A 23 LEU H A 23 LEU HBy 1.0 . 3.38 23 23 A 34 ASN HBy A 35 ALA H 1.0 . 4.52 24 24 A 35 ALA H A 34 ASN HBx 1.0 . 3.84 25 25 A 35 ALA H A 13 VAL HGy% 1.0 . 5.18 26 26 A 107 LYS H A 108 TYR H 1.0 . 5.46 27 27 A 108 TYR H A 108 TYR HD% 1.0 . 4.70 28 28 A 108 TYR H A 16 TRP HE3 1.0 . 5.50 29 29 A 108 TYR H A 107 LYS HBy 1.0 . 5.00 30 30 A 108 TYR H A 15 LYS HB2 1.0 . 5.06 31 30 A 108 TYR H A 15 LYS HB3 1.0 . 5.06 32 31 A 107 LYS H A 87 LYS HA 1.0 . 4.26 33 32 A 107 LYS H A 106 GLU HBx 1.0 . 4.64 34 33 A 107 LYS H A 17 ILE HG2% 1.0 . 5.50 35 34 A 82 LEU H A 90 LYS HBy 1.0 . 5.50 36 35 A 94 ALA H A 93 ASN H 1.0 . 4.98 37 36 A 93 ASN H A 93 ASN HD2x 1.0 . 5.50 38 37 A 93 ASN H A 93 ASN HBx 1.0 . 3.36 39 38 A 93 ASN H A 92 GLU HGy 1.0 . 4.40 40 39 A 93 ASN H A 92 GLU HB2 1.0 . 3.97 41 39 A 93 ASN H A 92 GLU HB3 1.0 . 3.97 42 40 A 30 CYS H A 42 TYR H 1.0 . 3.75 43 41 A 42 TYR H A 42 TYR HBy 1.0 . 4.13 44 42 A 42 TYR H A 42 TYR HBx 1.0 . 3.85 45 43 A 42 TYR H A 41 VAL HB 1.0 . 4.64 46 44 A 42 TYR H A 29 THR HG2% 1.0 . 4.40 47 45 A 42 TYR H A 43 THR H 1.0 . 5.08 48 46 A 75 CYS H A 76 THR HG2% 1.0 . 5.50 49 47 A 75 CYS H A 74 HIS HBy 1.0 . 4.35 50 48 A 75 CYS H A 74 HIS H 1.0 . 5.07 51 49 A 18 VAL H A 29 THR HB 1.0 . 4.44 52 50 A 18 VAL H A 18 VAL HGx% 1.0 . 4.77 53 51 A 18 VAL H A 17 ILE HD1% 1.0 . 5.13 54 52 A 105 LEU HD2% A 105 LEU H 1.0 . 5.50 55 53 A 18 VAL HA A 105 LEU H 1.0 . 5.50 56 54 A 105 LEU H A 103 LYS HGx 1.0 . 4.13 57 55 A 105 LEU H A 105 LEU HBx 1.0 . 3.83 58 56 A 105 LEU H A 91 TRP H 1.0 . 4.94 59 57 A 16 TRP HE3 A 105 LEU H 1.0 . 5.50 60 58 A 105 LEU H A 89 MET HBx 1.0 . 5.30 61 59 A 18 VAL H A 31 TYR HD% 1.0 . 5.50 62 60 A 18 VAL H A 17 ILE HB 1.0 . 5.10 63 61 A 105 LEU H A 16 TRP HZ3 1.0 . 5.50 64 62 A 80 HIS H A 81 ILE H 1.0 . 5.50 65 63 A 109 ASN H A 110 ASP H 1.0 . 3.88 66 64 A 110 ASP H A 110 ASP HBx 1.0 . 3.47 67 65 A 91 TRP H A 89 MET HGy 1.0 . 5.50 68 66 A 91 TRP H A 82 LEU HDy% 1.0 . 5.50 69 67 A 91 TRP H A 102 ASP HA 1.0 . 5.39 70 68 A 91 TRP H A 103 LYS H 1.0 . 4.98 71 69 A 91 TRP H A 90 LYS HA 1.0 . 3.28 72 70 A 91 TRP H A 91 TRP HBx 1.0 . 3.59 73 71 A 90 LYS HBy A 91 TRP H 1.0 . 4.70 74 72 A 91 TRP H A 90 LYS HBx 1.0 . 4.72 75 73 A 91 TRP H A 89 MET HGx 1.0 . 4.34 76 74 A 66 ILE HG2% A 67 LYS H 1.0 . 5.50 77 75 A 16 TRP H A 31 TYR H 1.0 . 4.08 78 76 A 31 TYR H A 17 ILE HA 1.0 . 4.33 79 77 A 29 THR HG2% A 31 TYR H 1.0 . 5.15 80 78 A 105 LEU HD2% A 31 TYR H 1.0 . 5.13 81 79 A 31 TYR H A 16 TRP HBy 1.0 . 4.34 82 80 A 67 LYS H A 58 ILE H 1.0 . 4.05 83 81 A 67 LYS H A 67 LYS HBy 1.0 . 4.04 84 82 A 67 LYS H A 67 LYS HGy 1.0 . 4.18 85 83 A 31 TYR H A 41 VAL HGy% 1.0 . 5.50 86 84 A 67 LYS H A 69 TYR HE% 1.0 . 5.50 87 85 A 53 PHE H A 54 ARG H 1.0 . 5.38 88 86 A 54 ARG H A 54 ARG HBy 1.0 . 4.14 89 87 A 54 ARG H A 54 ARG HG2 1.0 . 3.40 90 87 A 54 ARG H A 54 ARG HG3 1.0 . 3.40 91 88 A 54 ARG H A 41 VAL HGx% 1.0 . 5.50 92 89 A 105 LEU H A 90 LYS H 1.0 . 5.50 93 90 A 90 LYS H A 81 ILE HA 1.0 . 5.24 94 91 A 91 TRP H A 90 LYS H 1.0 . 5.50 95 92 A 54 ARG H A 54 ARG HD2 1.0 . 4.37 96 92 A 54 ARG H A 54 ARG HD3 1.0 . 4.37 97 93 A 90 LYS H A 83 LYS H 1.0 . 3.72 98 94 A 90 LYS HBy A 90 LYS H 1.0 . 4.07 99 95 A 90 LYS HBx A 90 LYS H 1.0 . 3.70 100 96 A 89 MET HGx A 90 LYS H 1.0 . 3.53 101 97 A 90 LYS H A 89 MET HBy 1.0 . 4.67 102 98 A 90 LYS H A 91 TRP HE3 1.0 . 5.50 103 99 A 90 LYS H A 81 ILE HG2% 1.0 . 4.73 104 100 A 19 LYS H A 29 THR H 1.0 . 5.02 105 101 A 18 VAL H A 29 THR H 1.0 . 4.97 106 102 A 29 THR H A 28 VAL H 1.0 . 5.01 107 103 A 29 THR HB A 29 THR H 1.0 . 3.35 108 104 A 18 VAL HB A 29 THR H 1.0 . 4.26 109 105 A 105 LEU HD1% A 90 LYS H 1.0 . 5.50 110 106 A 30 CYS H A 29 THR H 1.0 . 4.77 111 107 A 16 TRP H A 16 TRP HBy 1.0 . 3.53 112 108 A 16 TRP H A 15 LYS HB2 1.0 . 4.21 113 108 A 15 LYS HB3 A 16 TRP H 1.0 . 4.21 114 109 A 16 TRP H A 15 LYS HGx 1.0 . 5.17 115 110 A 16 TRP H A 15 LYS HGy 1.0 . 4.60 116 111 A 30 CYS H A 31 TYR H 1.0 . 5.50 117 112 A 30 CYS H A 29 THR HB 1.0 . 5.02 118 113 A 105 LEU HD2% A 16 TRP H 1.0 . 5.50 119 114 A 75 CYS HBx A 76 THR H 1.0 . 4.47 120 115 A 76 THR H A 77 GLU HBx 1.0 . 5.50 121 116 A 76 THR H A 68 LEU H 1.0 . 5.23 122 117 A 76 THR H A 75 CYS HA 1.0 . 2.93 123 118 A 76 THR H A 69 TYR HD% 1.0 . 5.50 124 119 A 9 ILE H A 9 ILE HG1x 1.0 . 4.57 125 120 A 109 ASN H A 107 LYS HA 1.0 . 5.50 126 121 A 53 PHE H A 53 PHE HD% 1.0 . 5.36 127 122 A 53 PHE H A 42 TYR HD% 1.0 . 5.50 128 123 A 9 ILE H A 9 ILE HD1% 1.0 . 5.50 129 124 A 109 ASN H A 108 TYR HE% 1.0 . 5.50 130 125 A 109 ASN H A 109 ASN HBy 1.0 . 3.66 131 126 A 17 ILE HG2% A 109 ASN H 1.0 . 5.35 132 127 A 109 ASN H A 107 LYS HG2 1.0 . 5.50 133 127 A 109 ASN H A 107 LYS HG3 1.0 . 5.50 134 128 A 108 TYR H A 109 ASN H 1.0 . 4.31 135 129 A 109 ASN H A 109 ASN HBx 1.0 . 3.50 136 130 A 68 LEU H A 69 TYR H 1.0 . 5.50 137 131 A 68 LEU H A 68 LEU HDy% 1.0 . 5.50 138 132 A 16 TRP HE1 A 33 PHE H 1.0 . 5.50 139 133 A 33 PHE H A 12 LEU HDy% 1.0 . 5.50 140 134 A 93 ASN H A 92 GLU H 1.0 . 5.50 141 135 A 91 TRP HE3 A 92 GLU H 1.0 . 5.50 142 136 A 68 LEU H A 68 LEU HG 1.0 . 4.35 143 137 A 68 LEU H A 78 GLN HA 1.0 . 4.44 144 138 A 92 GLU HA A 102 ASP H 1.0 . 5.50 145 139 A 102 ASP H A 102 ASP HBy 1.0 . 3.77 146 140 A 102 ASP H A 103 LYS HDy 1.0 . 5.50 147 141 A 93 ASN H A 102 ASP H 1.0 . 5.26 148 142 A 102 ASP H A 101 SER HBy 1.0 . 3.32 149 143 A 102 ASP H A 102 ASP HBx 1.0 . 3.28 150 144 A 33 PHE H A 39 TYR HB2 1.0 . 5.50 151 144 A 33 PHE H A 39 TYR HB3 1.0 . 5.50 152 145 A 92 GLU H A 80 HIS HBx 1.0 . 5.50 153 146 A 92 GLU H A 91 TRP HBy 1.0 . 4.54 154 147 A 92 GLU H A 82 LEU HG 1.0 . 5.41 155 148 A 80 HIS H A 92 GLU H 1.0 . 4.40 156 149 A 82 LEU H A 92 GLU H 1.0 . 5.50 157 150 A 92 GLU H A 82 LEU HDx% 1.0 . 5.50 158 151 A 59 ILE HB A 60 SER H 1.0 . 5.50 159 152 A 60 SER H A 59 ILE HG2% 1.0 . 5.05 160 153 A 60 SER H A 65 LEU H 1.0 . 5.11 161 154 A 60 SER H A 65 LEU HBy 1.0 . 5.50 162 155 A 7 VAL H A 6 LYS HB2 1.0 . 3.85 163 155 A 6 LYS HB3 A 7 VAL H 1.0 . 3.85 164 156 A 7 VAL H A 7 VAL HGy% 1.0 . 3.94 165 157 A 8 GLU H A 7 VAL H 1.0 . 5.06 166 158 A 88 GLU H A 89 MET H 1.0 . 5.50 167 159 A 105 LEU H A 89 MET H 1.0 . 4.02 168 160 A 89 MET HBx A 89 MET H 1.0 . 3.87 169 161 A 89 MET H A 89 MET HE% 1.0 . 5.50 170 162 A 90 LYS H A 89 MET H 1.0 . 4.65 171 163 A 17 ILE H A 105 LEU HA 1.0 . 5.33 172 164 A 17 ILE HD1% A 17 ILE H 1.0 . 5.15 173 165 A 18 VAL HA A 17 ILE H 1.0 . 5.50 174 166 A 17 ILE H A 16 TRP HBx 1.0 . 4.06 175 167 A 17 ILE H A 17 ILE HG1x 1.0 . 4.50 176 168 A 16 TRP H A 17 ILE H 1.0 . 4.44 177 169 A 19 LYS H A 17 ILE H 1.0 . 5.04 178 170 A 108 TYR H A 17 ILE H 1.0 . 4.43 179 171 A 79 TYR HBy A 91 TRP HE1 1.0 . 5.36 180 172 A 103 LYS HBx A 104 ARG H 1.0 . 3.92 181 173 A 43 THR H A 44 GLY HAy 1.0 . 5.50 182 174 A 42 TYR HBx A 43 THR H 1.0 . 4.38 183 175 A 103 LYS HGx A 104 ARG H 1.0 . 4.35 184 176 A 104 ARG H A 21 PRO HDx 1.0 . 5.50 185 177 A 12 LEU HDy% A 91 TRP HE1 1.0 . 5.50 186 178 A 43 THR H A 42 TYR HE% 1.0 . 5.50 187 179 A 43 THR H A 43 THR HB 1.0 . 3.41 188 180 A 42 TYR HBy A 43 THR H 1.0 . 4.10 189 181 A 43 THR H A 41 VAL HGy% 1.0 . 5.50 190 182 A 105 LEU H A 104 ARG H 1.0 . 5.26 191 183 A 41 VAL H A 40 GLU HG2 1.0 . 4.23 192 183 A 40 GLU HG3 A 41 VAL H 1.0 . 4.23 193 184 A 53 PHE H A 41 VAL H 1.0 . 3.77 194 185 A 42 TYR H A 41 VAL H 1.0 . 5.22 195 186 A 41 VAL H A 40 GLU HBx 1.0 . 3.97 196 187 A 41 VAL HB A 41 VAL H 1.0 . 3.92 197 188 A 41 VAL H A 52 PRO HA 1.0 . 5.50 198 189 A 41 VAL H A 39 TYR HE% 1.0 . 5.14 199 190 A 41 VAL H A 39 TYR HD% 1.0 . 5.46 200 191 A 41 VAL H A 54 ARG HA 1.0 . 4.60 201 192 A 48 SER H A 49 ASN H 1.0 . 4.43 202 193 A 49 ASN H A 48 SER HA 1.0 . 2.97 203 194 A 49 ASN H A 48 SER HBx 1.0 . 3.97 204 195 A 49 ASN H A 49 ASN HBx 1.0 . 3.60 205 196 A 7 VAL H A 6 LYS H 1.0 . 4.37 206 197 A 6 LYS H A 4 ASP HA 1.0 . 5.50 207 198 A 6 LYS H A 5 ASP HB2 1.0 . 4.28 208 198 A 6 LYS H A 5 ASP HB3 1.0 . 4.28 209 199 A 85 THR HG2% A 6 LYS H 1.0 . 4.63 210 200 A 42 TYR HD% A 51 VAL H 1.0 . 5.50 211 201 A 16 TRP HE1 A 15 LYS H 1.0 . 5.50 212 202 A 15 LYS HGx A 15 LYS H 1.0 . 5.25 213 203 A 16 TRP H A 15 LYS H 1.0 . 4.95 214 204 A 14 GLY H A 15 LYS H 1.0 . 4.87 215 205 A 108 TYR H A 15 LYS H 1.0 . 5.14 216 206 A 107 LYS HEy A 15 LYS H 1.0 . 4.31 217 207 A 15 LYS H A 15 LYS HB2 1.0 . 3.21 218 207 A 15 LYS HB3 A 15 LYS H 1.0 . 3.21 219 208 A 15 LYS HGy A 15 LYS H 1.0 . 4.22 220 209 A 15 LYS H A 32 THR HG2% 1.0 . 5.04 221 210 A 15 LYS H A 107 LYS HG2 1.0 . 5.30 222 210 A 107 LYS HG3 A 15 LYS H 1.0 . 5.30 223 211 A 18 VAL HA A 106 GLU H 1.0 . 4.77 224 212 A 106 GLU H A 16 TRP HBx 1.0 . 5.10 225 213 A 17 ILE H A 106 GLU H 1.0 . 3.72 226 214 A 105 LEU HBx A 106 GLU H 1.0 . 4.44 227 215 A 105 LEU HD2% A 106 GLU H 1.0 . 5.34 228 216 A 70 ASP H A 73 GLU H 1.0 . 5.50 229 217 A 16 TRP HZ3 A 106 GLU H 1.0 . 5.50 230 218 A 107 LYS H A 106 GLU H 1.0 . 5.41 231 219 A 105 LEU HD1% A 106 GLU H 1.0 . 5.50 232 220 A 69 TYR H A 70 ASP H 1.0 . 4.95 233 221 A 69 TYR HD% A 70 ASP H 1.0 . 5.37 234 222 A 70 ASP H A 74 HIS HA 1.0 . 5.24 235 223 A 70 ASP H A 69 TYR HBy 1.0 . 4.22 236 224 A 70 ASP H A 69 TYR HBx 1.0 . 3.73 237 225 A 76 THR H A 70 ASP H 1.0 . 4.64 238 226 A 75 CYS HA A 70 ASP H 1.0 . 4.36 239 227 A 68 LEU H A 77 GLU H 1.0 . 4.14 240 228 A 77 GLU H A 69 TYR HA 1.0 . 5.41 241 229 A 77 GLU HBx A 77 GLU H 1.0 . 3.46 242 230 A 77 GLU H A 67 LYS HA 1.0 . 5.50 243 231 A 22 VAL H A 23 LEU HDy% 1.0 . 5.50 244 232 A 77 GLU H A 68 LEU HDx% 1.0 . 5.50 245 233 A 76 THR H A 77 GLU H 1.0 . 3.11 246 234 A 78 GLN HA A 77 GLU H 1.0 . 4.88 247 235 A 76 THR HG2% A 77 GLU H 1.0 . 4.67 248 236 A 77 GLU H A 78 GLN H 1.0 . 5.18 249 237 A 22 VAL H A 20 GLU HA 1.0 . 3.58 250 238 A 3 GLU H A 4 ASP HBx 1.0 . 4.85 251 239 A 3 GLU H A 3 GLU HGx 1.0 . 5.44 252 240 A 80 HIS H A 82 LEU HG 1.0 . 5.50 253 241 A 80 HIS H A 91 TRP HBy 1.0 . 5.50 254 242 A 3 GLU H A 2 ASP HA 1.0 . 3.50 255 243 A 3 GLU H A 3 GLU HBx 1.0 . 3.67 256 244 A 99 GLY H A 100 ASN H 1.0 . 3.24 257 245 A 93 ASN HD2x A 100 ASN H 1.0 . 3.87 258 246 A 100 ASN H A 100 ASN HD2x 1.0 . 5.38 259 247 A 100 ASN H A 100 ASN HBy 1.0 . 3.25 260 248 A 100 ASN H A 100 ASN HBx 1.0 . 3.85 261 249 A 100 ASN H A 96 PRO HA 1.0 . 5.50 262 250 A 93 ASN HD2x A 98 ASP H 1.0 . 5.50 263 251 A 98 ASP H A 99 GLY HAx 1.0 . 4.86 264 252 A 98 ASP H A 95 SER HBx 1.0 . 5.50 265 253 A 98 ASP H A 98 ASP HBy 1.0 . 3.80 266 254 A 98 ASP H A 98 ASP HBx 1.0 . 3.49 267 255 A 98 ASP H A 97 LYS HBx 1.0 . 4.22 268 256 A 98 ASP H A 97 LYS HG2 1.0 . 4.72 269 256 A 98 ASP H A 97 LYS HG3 1.0 . 4.72 270 257 A 69 TYR H A 56 THR H 1.0 . 4.09 271 258 A 69 TYR H A 56 THR HB 1.0 . 5.50 272 259 A 69 TYR H A 68 LEU HBx 1.0 . 4.17 273 260 A 69 TYR H A 68 LEU HG 1.0 . 5.50 274 261 A 69 TYR H A 68 LEU HDy% 1.0 . 5.39 275 262 A 69 TYR H A 68 LEU HDx% 1.0 . 5.50 276 263 A 80 HIS H A 65 LEU HDy% 1.0 . 5.50 277 264 A 93 ASN H A 80 HIS H 1.0 . 5.49 278 265 A 94 ALA H A 80 HIS H 1.0 . 4.49 279 266 A 80 HIS H A 79 TYR HBy 1.0 . 3.95 280 267 A 80 HIS H A 79 TYR HBx 1.0 . 4.66 281 268 A 80 HIS H A 94 ALA HB% 1.0 . 4.62 282 269 A 34 ASN H A 34 ASN HD2x 1.0 . 4.83 283 270 A 34 ASN H A 33 PHE HBx 1.0 . 4.49 284 271 A 35 ALA H A 34 ASN H 1.0 . 5.50 285 272 A 34 ASN H A 33 PHE HD% 1.0 . 5.24 286 273 A 34 ASN HBy A 34 ASN H 1.0 . 3.55 287 274 A 34 ASN HBx A 34 ASN H 1.0 . 3.92 288 275 A 34 ASN H A 13 VAL HA 1.0 . 5.50 289 276 A 32 THR HG2% A 34 ASN H 1.0 . 5.50 290 277 A 70 ASP HBx A 72 GLU H 1.0 . 5.50 291 278 A 72 GLU H A 70 ASP HA 1.0 . 5.43 292 279 A 72 GLU H A 70 ASP HBy 1.0 . 4.33 293 280 A 72 GLU H A 71 LYS HB2 1.0 . 4.08 294 280 A 72 GLU H A 71 LYS HB3 1.0 . 4.08 295 281 A 80 HIS H A 66 ILE HG2% 1.0 . 5.50 296 282 A 89 MET HBy A 85 THR H 1.0 . 5.28 297 283 A 84 LEU H A 85 THR H 1.0 . 4.64 298 284 A 90 LYS H A 85 THR H 1.0 . 5.48 299 285 A 88 GLU H A 85 THR H 1.0 . 3.72 300 286 A 85 THR H A 84 LEU HA 1.0 . 2.99 301 287 A 85 THR H A 84 LEU HBx 1.0 . 4.51 302 288 A 84 LEU HDx% A 85 THR H 1.0 . 5.06 303 289 A 34 ASN H A 38 THR H 1.0 . 4.70 304 290 A 34 ASN H A 34 ASN HD2y 1.0 . 4.38 305 291 A 4 ASP H A 5 ASP H 1.0 . 2.40 306 292 A 3 GLU H A 4 ASP H 1.0 . 3.39 307 293 A 4 ASP HBx A 4 ASP H 1.0 . 3.23 308 294 A 12 LEU H A 84 LEU HDy% 1.0 . 5.50 309 295 A 88 GLU H A 86 SER H 1.0 . 5.50 310 296 A 65 LEU H A 64 LYS H 1.0 . 4.42 311 297 A 3 GLU HBx A 5 ASP H 1.0 . 5.50 312 298 A 88 GLU H A 88 GLU HBx 1.0 . 3.60 313 299 A 88 GLU H A 87 LYS HBx 1.0 . 4.67 314 300 A 65 LEU H A 65 LEU HG 1.0 . 5.50 315 301 A 5 ASP H A 6 LYS HGy 1.0 . 5.34 316 302 A 5 ASP H A 3 GLU HA 1.0 . 4.57 317 303 A 6 LYS H A 5 ASP H 1.0 . 3.31 318 304 A 5 ASP H A 5 ASP HB2 1.0 . 3.19 319 304 A 5 ASP HB3 A 5 ASP H 1.0 . 3.19 320 305 A 85 THR HG2% A 5 ASP H 1.0 . 5.50 321 306 A 28 VAL H A 44 GLY HAy 1.0 . 5.43 322 307 A 28 VAL H A 43 THR HA 1.0 . 5.15 323 308 A 28 VAL H A 27 PHE HBx 1.0 . 4.06 324 309 A 28 VAL H A 28 VAL HB 1.0 . 3.79 325 310 A 28 VAL H A 27 PHE HBy 1.0 . 5.12 326 311 A 32 THR H A 39 TYR HA 1.0 . 5.50 327 312 A 41 VAL HGy% A 32 THR H 1.0 . 5.50 328 313 A 32 THR H A 31 TYR HA 1.0 . 2.91 329 314 A 32 THR H A 32 THR HB 1.0 . 3.44 330 315 A 32 THR H A 39 TYR HB2 1.0 . 5.30 331 315 A 39 TYR HB3 A 32 THR H 1.0 . 5.30 332 316 A 32 THR H A 31 TYR HBy 1.0 . 5.12 333 317 A 32 THR H A 31 TYR HBx 1.0 . 4.54 334 318 A 32 THR H A 40 GLU H 1.0 . 3.70 335 319 A 40 GLU H A 39 TYR H 1.0 . 5.50 336 320 A 40 GLU H A 33 PHE HA 1.0 . 5.04 337 321 A 32 THR HB A 40 GLU H 1.0 . 3.79 338 322 A 40 GLU H A 39 TYR HB2 1.0 . 3.40 339 322 A 39 TYR HB3 A 40 GLU H 1.0 . 3.40 340 323 A 40 GLU HBx A 40 GLU H 1.0 . 3.84 341 324 A 32 THR HG2% A 40 GLU H 1.0 . 5.25 342 325 A 74 HIS H A 74 HIS HD2 1.0 . 5.50 343 326 A 74 HIS H A 69 TYR HE% 1.0 . 5.50 344 327 A 74 HIS H A 69 TYR HA 1.0 . 5.09 345 328 A 28 VAL H A 27 PHE H 1.0 . 4.29 346 329 A 27 PHE H A 26 ASP H 1.0 . 3.46 347 330 A 27 PHE H A 27 PHE HD% 1.0 . 4.12 348 331 A 27 PHE HBy A 27 PHE H 1.0 . 3.13 349 332 A 27 PHE HBx A 27 PHE H 1.0 . 3.53 350 333 A 23 LEU HBy A 27 PHE H 1.0 . 4.50 351 334 A 27 PHE H A 23 LEU HBx 1.0 . 5.06 352 335 A 27 PHE H A 23 LEU HDx% 1.0 . 5.50 353 336 A 74 HIS H A 75 CYS HA 1.0 . 5.50 354 337 A 74 HIS H A 72 GLU HA 1.0 . 5.33 355 338 A 74 HIS H A 74 HIS HBx 1.0 . 3.24 356 339 A 74 HIS H A 69 TYR HBx 1.0 . 4.80 357 340 A 74 HIS H A 73 GLU HBx 1.0 . 4.79 358 341 A 74 HIS H A 72 GLU HBx 1.0 . 4.59 359 342 A 76 THR HG2% A 74 HIS H 1.0 . 5.50 360 343 A 22 VAL H A 20 GLU H 1.0 . 5.50 361 344 A 27 PHE H A 28 VAL HGx% 1.0 . 5.50 362 345 A 78 GLN H A 79 TYR H 1.0 . 5.42 363 346 A 78 GLN H A 78 GLN HE2y 1.0 . 5.34 364 347 A 78 GLN H A 77 GLU HBy 1.0 . 3.54 365 348 A 78 GLN H A 78 GLN HBx 1.0 . 4.09 366 349 A 62 ASP H A 63 GLU H 1.0 . 5.29 367 350 A 62 ASP H A 61 LEU HB2 1.0 . 4.63 368 350 A 62 ASP H A 61 LEU HB3 1.0 . 4.63 369 351 A 19 LYS H A 20 GLU H 1.0 . 3.46 370 352 A 18 VAL HA A 20 GLU H 1.0 . 4.18 371 353 A 20 GLU H A 20 GLU HGy 1.0 . 5.15 372 354 A 20 GLU H A 20 GLU HBy 1.0 . 4.09 373 355 A 18 VAL HGx% A 20 GLU H 1.0 . 3.66 374 356 A 58 ILE H A 68 LEU HA 1.0 . 5.48 375 357 A 99 GLY H A 97 LYS H 1.0 . 5.00 376 358 A 97 LYS H A 95 SER HA 1.0 . 4.78 377 359 A 97 LYS H A 96 PRO HDx 1.0 . 5.11 378 360 A 97 LYS HBx A 97 LYS H 1.0 . 3.19 379 361 A 97 LYS H A 97 LYS HG2 1.0 . 3.65 380 361 A 97 LYS HG3 A 97 LYS H 1.0 . 3.65 381 362 A 58 ILE H A 69 TYR H 1.0 . 5.50 382 363 A 58 ILE H A 69 TYR HD% 1.0 . 4.66 383 364 A 58 ILE H A 69 TYR HE% 1.0 . 4.91 384 365 A 58 ILE H A 66 ILE HA 1.0 . 5.14 385 366 A 58 ILE H A 58 ILE HG1y 1.0 . 4.52 386 367 A 58 ILE H A 58 ILE HG2% 1.0 . 5.06 387 368 A 53 PHE HD% A 71 LYS H 1.0 . 5.50 388 369 A 72 GLU H A 71 LYS H 1.0 . 3.67 389 370 A 71 LYS H A 71 LYS HD2 1.0 . 4.63 390 370 A 71 LYS H A 71 LYS HD3 1.0 . 4.63 391 371 A 27 PHE HBy A 24 GLN H 1.0 . 5.11 392 372 A 23 LEU H A 24 GLN H 1.0 . 4.37 393 373 A 24 GLN H A 24 GLN HBy 1.0 . 3.71 394 374 A 24 GLN H A 24 GLN HBx 1.0 . 3.11 395 375 A 23 LEU HBx A 24 GLN H 1.0 . 3.30 396 376 A 39 TYR H A 40 GLU HG2 1.0 . 5.50 397 376 A 40 GLU HG3 A 39 TYR H 1.0 . 5.50 398 377 A 39 TYR H A 56 THR HA 1.0 . 3.58 399 378 A 39 TYR H A 39 TYR HB2 1.0 . 4.06 400 378 A 39 TYR HB3 A 39 TYR H 1.0 . 4.06 401 379 A 54 ARG HBy A 39 TYR H 1.0 . 5.50 402 380 A 39 TYR H A 38 THR HG2% 1.0 . 4.20 403 381 A 64 LYS H A 63 GLU H 1.0 . 4.53 404 382 A 27 PHE H A 25 ASP H 1.0 . 5.50 405 383 A 24 GLN H A 25 ASP H 1.0 . 4.69 406 384 A 24 GLN HBy A 25 ASP H 1.0 . 3.61 407 385 A 64 LYS H A 63 GLU HB2 1.0 . 5.50 408 385 A 64 LYS H A 63 GLU HB3 1.0 . 5.50 409 386 A 103 LYS H A 101 SER H 1.0 . 5.50 410 387 A 93 ASN HD2x A 101 SER H 1.0 . 5.43 411 388 A 101 SER H A 100 ASN HA 1.0 . 2.87 412 389 A 100 ASN HBy A 101 SER H 1.0 . 4.55 413 390 A 64 LYS H A 62 ASP HB2 1.0 . 5.50 414 390 A 64 LYS H A 62 ASP HB3 1.0 . 5.50 415 391 A 93 ASN H A 103 LYS H 1.0 . 5.50 416 392 A 103 LYS H A 104 ARG H 1.0 . 5.43 417 393 A 103 LYS H A 102 ASP H 1.0 . 5.26 418 394 A 103 LYS H A 92 GLU HA 1.0 . 5.18 419 395 A 103 LYS H A 102 ASP HBy 1.0 . 4.48 420 396 A 103 LYS HGx A 103 LYS H 1.0 . 4.63 421 397 A 103 LYS H A 103 LYS HBx 1.0 . 3.89 422 398 A 105 LEU HD1% A 103 LYS H 1.0 . 5.50 423 399 A 35 ALA H A 36 ASP H 1.0 . 3.57 424 400 A 36 ASP H A 37 LYS H 1.0 . 3.33 425 401 A 36 ASP H A 34 ASN HA 1.0 . 4.65 426 402 A 34 ASN HBy A 36 ASP H 1.0 . 3.69 427 403 A 36 ASP H A 36 ASP HBy 1.0 . 3.96 428 404 A 34 ASN HBx A 36 ASP H 1.0 . 3.47 429 405 A 36 ASP H A 36 ASP HBx 1.0 . 3.53 430 406 A 36 ASP H A 13 VAL HGx% 1.0 . 5.45 431 407 A 34 ASN H A 36 ASP H 1.0 . 5.50 432 408 A 93 ASN HD2x A 100 ASN HA 1.0 . 5.50 433 409 A 93 ASN HD2y A 95 SER H 1.0 . 4.83 434 410 A 100 ASN H A 93 ASN HD2y 1.0 . 4.12 435 411 A 93 ASN HD2x A 95 SER H 1.0 . 4.78 436 412 A 93 ASN HD2x A 93 ASN HBx 1.0 . 4.07 437 413 A 93 ASN HD2x A 96 PRO HBy 1.0 . 5.50 438 414 A 87 LYS H A 107 LYS HDy 1.0 . 5.50 439 415 A 87 LYS H A 86 SER HBy 1.0 . 5.03 440 416 A 87 LYS H A 87 LYS HBy 1.0 . 3.98 441 417 A 87 LYS HBx A 87 LYS H 1.0 . 3.49 442 418 A 87 LYS H A 87 LYS HGy 1.0 . 4.30 443 419 A 84 LEU HDy% A 87 LYS H 1.0 . 5.50 444 420 A 14 GLY H A 16 TRP HD1 1.0 . 5.50 445 421 A 14 GLY H A 13 VAL H 1.0 . 4.94 446 422 A 79 TYR H A 66 ILE H 1.0 . 4.16 447 423 A 78 GLN HA A 79 TYR H 1.0 . 3.07 448 424 A 67 LYS HA A 79 TYR H 1.0 . 4.29 449 425 A 79 TYR H A 78 GLN HBy 1.0 . 4.60 450 426 A 79 TYR HBx A 79 TYR H 1.0 . 4.03 451 427 A 79 TYR H A 67 LYS HGx 1.0 . 5.29 452 428 A 94 ALA HB% A 79 TYR H 1.0 . 5.50 453 429 A 65 LEU HDy% A 79 TYR H 1.0 . 4.77 454 430 A 80 HIS H A 79 TYR H 1.0 . 4.98 455 431 A 79 TYR H A 78 GLN HBx 1.0 . 4.04 456 432 A 85 THR H A 87 LYS H 1.0 . 4.90 457 433 A 87 LYS H A 86 SER HBx 1.0 . 5.04 458 434 A 14 GLY H A 107 LYS HEy 1.0 . 5.28 459 435 A 14 GLY H A 13 VAL HB 1.0 . 4.72 460 436 A 14 GLY H A 13 VAL HGx% 1.0 . 3.90 461 437 A 14 GLY H A 13 VAL HGy% 1.0 . 4.40 462 438 A 91 TRP HE1 A 79 TYR H 1.0 . 5.50 463 439 A 83 LYS H A 91 TRP HE3 1.0 . 5.50 464 440 A 89 MET HGy A 83 LYS H 1.0 . 5.50 465 441 A 84 LEU H A 83 LYS H 1.0 . 5.33 466 442 A 82 LEU H A 83 LYS H 1.0 . 3.23 467 443 A 83 LYS H A 89 MET HA 1.0 . 5.50 468 444 A 90 LYS HBx A 83 LYS H 1.0 . 3.68 469 445 A 83 LYS H A 91 TRP HZ3 1.0 . 5.50 470 446 A 57 TYR H A 57 TYR HD% 1.0 . 4.19 471 447 A 68 LEU HDy% A 57 TYR H 1.0 . 5.50 472 448 A 78 GLN H A 100 ASN HD2y 1.0 . 4.98 473 449 A 100 ASN H A 100 ASN HD2y 1.0 . 4.74 474 450 A 93 ASN HD2y A 100 ASN HD2y 1.0 . 5.23 475 451 A 93 ASN HD2x A 100 ASN HD2y 1.0 . 4.86 476 452 A 100 ASN HD2y A 78 GLN HE2x 1.0 . 5.50 477 453 A 100 ASN HD2y A 77 GLU HG2 1.0 . 4.89 478 453 A 100 ASN HD2y A 77 GLU HG3 1.0 . 4.89 479 454 A 77 GLU HBy A 100 ASN HD2y 1.0 . 5.14 480 455 A 78 GLN H A 100 ASN HD2x 1.0 . 5.24 481 456 A 100 ASN HD2x A 93 ASN HD2y 1.0 . 5.23 482 457 A 93 ASN HD2x A 100 ASN HD2x 1.0 . 5.06 483 458 A 100 ASN HD2x A 100 ASN HA 1.0 . 4.88 484 459 A 100 ASN HD2x A 100 ASN HBy 1.0 . 4.09 485 460 A 100 ASN HD2x A 77 GLU HG2 1.0 . 4.48 486 460 A 100 ASN HD2x A 77 GLU HG3 1.0 . 4.48 487 461 A 77 GLU HBx A 100 ASN HD2x 1.0 . 5.50 488 462 A 78 GLN HE2y A 100 ASN HD2y 1.0 . 5.50 489 463 A 63 GLU H A 62 ASP HB2 1.0 . 5.50 490 463 A 63 GLU H A 62 ASP HB3 1.0 . 5.50 491 464 A 63 GLU H A 61 LEU HB2 1.0 . 5.50 492 464 A 63 GLU H A 61 LEU HB3 1.0 . 5.50 493 465 A 45 SER HA A 47 LEU H 1.0 . 5.07 494 466 A 47 LEU H A 46 PRO HGy 1.0 . 5.50 495 467 A 47 LEU H A 47 LEU HBx 1.0 . 3.25 496 468 A 47 LEU H A 47 LEU HDy% 1.0 . 4.96 497 469 A 47 LEU H A 46 PRO HBx 1.0 . 4.61 498 470 A 47 LEU H A 45 SER H 1.0 . 5.50 499 471 A 48 SER H A 45 SER HA 1.0 . 4.47 500 472 A 48 SER H A 47 LEU HDy% 1.0 . 5.50 501 473 A 48 SER H A 47 LEU H 1.0 . 3.09 502 474 A 48 SER H A 47 LEU HBx 1.0 . 3.86 503 475 A 95 SER H A 79 TYR HA 1.0 . 5.50 504 476 A 95 SER HBx A 95 SER H 1.0 . 3.85 505 477 A 96 PRO HDx A 95 SER H 1.0 . 4.48 506 478 A 93 ASN H A 95 SER H 1.0 . 5.50 507 479 A 78 GLN H A 95 SER H 1.0 . 5.50 508 480 A 94 ALA H A 95 SER H 1.0 . 3.66 509 481 A 95 SER H A 95 SER HBy 1.0 . 3.73 510 482 A 95 SER H A 93 ASN HBy 1.0 . 5.32 511 483 A 93 ASN HBx A 95 SER H 1.0 . 5.50 512 484 A 95 SER H A 78 GLN HGx 1.0 . 4.66 513 485 A 94 ALA HB% A 95 SER H 1.0 . 4.39 514 486 A 40 GLU HBx A 34 ASN HD2x 1.0 . 5.50 515 487 A 34 ASN HD2y A 40 GLU H 1.0 . 5.50 516 488 A 38 THR H A 34 ASN HD2y 1.0 . 5.36 517 489 A 34 ASN HBy A 34 ASN HD2y 1.0 . 3.67 518 490 A 32 THR HG2% A 34 ASN HD2y 1.0 . 5.50 519 491 A 34 ASN HD2x A 38 THR H 1.0 . 5.50 520 492 A 34 ASN HD2x A 39 TYR HA 1.0 . 5.50 521 493 A 34 ASN HD2x A 34 ASN HA 1.0 . 5.50 522 494 A 34 ASN HBy A 34 ASN HD2x 1.0 . 4.04 523 495 A 34 ASN HD2x A 40 GLU HG2 1.0 . 5.50 524 495 A 40 GLU HG3 A 34 ASN HD2x 1.0 . 5.50 525 496 A 56 THR H A 55 GLY HAx 1.0 . 3.33 526 497 A 56 THR H A 56 THR HG2% 1.0 . 4.75 527 498 A 39 TYR HD% A 56 THR H 1.0 . 4.75 528 499 A 56 THR H A 38 THR HA 1.0 . 5.50 529 500 A 109 ASN HA A 109 ASN HD2y 1.0 . 5.50 530 501 A 109 ASN H A 109 ASN HD2y 1.0 . 5.50 531 502 A 26 ASP H A 25 ASP HBx 1.0 . 3.78 532 503 A 26 ASP H A 24 GLN HBy 1.0 . 5.50 533 504 A 26 ASP H A 25 ASP H 1.0 . 3.81 534 505 A 11 GLN HBx A 11 GLN HE2y 1.0 . 5.50 535 506 A 11 GLN HE2y A 11 GLN HBy 1.0 . 4.11 536 507 A 11 GLN HBy A 11 GLN HE2x 1.0 . 5.23 537 508 A 14 GLY HAy A 13 VAL H 1.0 . 5.50 538 509 A 12 LEU HDy% A 13 VAL H 1.0 . 5.50 539 510 A 12 LEU H A 13 VAL H 1.0 . 3.99 540 511 A 13 VAL H A 11 GLN HA 1.0 . 5.40 541 512 A 13 VAL H A 12 LEU HBy 1.0 . 3.94 542 513 A 13 VAL H A 12 LEU HBx 1.0 . 4.71 543 514 A 13 VAL H A 12 LEU HDx% 1.0 . 5.50 544 515 A 9 ILE HA A 11 GLN H 1.0 . 5.50 545 516 A 11 GLN HBy A 11 GLN H 1.0 . 4.12 546 517 A 11 GLN H A 9 ILE HG2% 1.0 . 5.50 547 518 A 84 LEU HDx% A 11 GLN H 1.0 . 5.50 548 519 A 49 ASN H A 49 ASN HD2x 1.0 . 5.50 549 520 A 49 ASN HD2x A 49 ASN HA 1.0 . 5.50 550 521 A 74 HIS H A 73 GLU H 1.0 . 3.51 551 522 A 73 GLU H A 69 TYR HBx 1.0 . 5.31 552 523 A 73 GLU H A 73 GLU HG2 1.0 . 3.91 553 523 A 73 GLU H A 73 GLU HG3 1.0 . 3.91 554 524 A 73 GLU H A 72 GLU HBx 1.0 . 4.62 555 525 A 49 ASN H A 49 ASN HD2y 1.0 . 5.05 556 526 A 49 ASN HA A 49 ASN HD2y 1.0 . 4.72 557 527 A 49 ASN HBx A 49 ASN HD2y 1.0 . 4.03 558 528 A 27 PHE HD% A 44 GLY H 1.0 . 5.50 559 529 A 43 THR HB A 44 GLY H 1.0 . 4.35 560 530 A 27 PHE HBx A 44 GLY H 1.0 . 5.01 561 531 A 28 VAL H A 44 GLY H 1.0 . 3.52 562 532 A 43 THR H A 44 GLY H 1.0 . 5.16 563 533 A 42 TYR HD% A 44 GLY H 1.0 . 5.33 564 534 A 44 GLY H A 27 PHE HA 1.0 . 4.79 565 535 A 27 PHE HBy A 44 GLY H 1.0 . 5.50 566 536 A 24 GLN HA A 24 GLN HE2y 1.0 . 5.50 567 537 A 24 GLN HBx A 24 GLN HE2x 1.0 . 5.50 568 538 A 24 GLN HE2y A 25 ASP HA 1.0 . 5.48 569 539 A 24 GLN HE2y A 24 GLN HG2 1.0 . 3.83 570 539 A 24 GLN HE2y A 24 GLN HG3 1.0 . 3.83 571 540 A 24 GLN HE2x A 25 ASP HA 1.0 . 5.30 572 541 A 78 GLN HA A 78 GLN HE2y 1.0 . 5.50 573 542 A 78 GLN HE2y A 67 LYS HGx 1.0 . 5.50 574 543 A 78 GLN HE2y A 95 SER H 1.0 . 5.50 575 544 A 78 GLN HE2y A 67 LYS HE2 1.0 . 5.50 576 544 A 78 GLN HE2y A 67 LYS HE3 1.0 . 5.50 577 545 A 78 GLN HBx A 78 GLN HE2x 1.0 . 5.50 578 546 A 78 GLN HE2x A 67 LYS HE2 1.0 . 5.50 579 546 A 78 GLN HE2x A 67 LYS HE3 1.0 . 5.50 580 547 A 78 GLN HBy A 78 GLN HE2x 1.0 . 5.50 581 548 A 95 SER H A 78 GLN HE2x 1.0 . 5.50 582 549 A 78 GLN HE2y A 78 GLN HBy 1.0 . 5.22 583 550 A 78 GLN HE2y A 78 GLN HBx 1.0 . 5.50 584 551 A 95 SER HA A 78 GLN HE2x 1.0 . 5.50 585 552 A 94 ALA HB% A 78 GLN HE2x 1.0 . 5.50 586 553 A 78 GLN HE2x A 95 SER HBy 1.0 . 5.00 587 554 A 85 THR H A 86 SER H 1.0 . 5.21 588 555 A 86 SER H A 87 LYS H 1.0 . 3.46 589 556 A 86 SER H A 86 SER HBx 1.0 . 3.43 590 557 A 42 TYR HD% A 50 GLY H 1.0 . 5.41 591 558 A 50 GLY H A 51 VAL HA 1.0 . 5.50 592 559 A 50 GLY H A 51 VAL HG1% 1.0 . 5.50 593 559 A 50 GLY H A 51 VAL HG2% 1.0 . 5.50 594 560 A 49 ASN H A 50 GLY H 1.0 . 4.04 595 561 A 51 VAL H A 50 GLY H 1.0 . 4.46 596 562 A 49 ASN HA A 50 GLY H 1.0 . 3.09 597 563 A 50 GLY H A 49 ASN HBy 1.0 . 4.18 598 564 A 37 LYS H A 35 ALA HA 1.0 . 5.12 599 565 A 34 ASN H A 37 LYS H 1.0 . 5.50 600 566 A 38 THR H A 37 LYS H 1.0 . 3.06 601 567 A 34 ASN HBy A 37 LYS H 1.0 . 2.95 602 568 A 37 LYS H A 36 ASP HBx 1.0 . 5.50 603 569 A 37 LYS H A 37 LYS HDy 1.0 . 4.67 604 570 A 37 LYS H A 37 LYS HGx 1.0 . 4.38 605 571 A 35 ALA H A 37 LYS H 1.0 . 5.50 606 572 A 56 THR HA A 55 GLY H 1.0 . 5.50 607 573 A 55 GLY H A 54 ARG HD2 1.0 . 5.49 608 573 A 54 ARG HD3 A 55 GLY H 1.0 . 5.49 609 574 A 38 THR H A 57 TYR H 1.0 . 5.50 610 575 A 38 THR H A 37 LYS HDy 1.0 . 5.50 611 576 A 38 THR H A 39 TYR H 1.0 . 5.50 612 577 A 40 GLU H A 55 GLY H 1.0 . 5.50 613 578 A 39 TYR H A 55 GLY H 1.0 . 3.55 614 579 A 55 GLY H A 40 GLU HA 1.0 . 4.24 615 580 A 70 ASP HA A 55 GLY H 1.0 . 5.50 616 581 A 55 GLY H A 39 TYR HB2 1.0 . 5.50 617 581 A 39 TYR HB3 A 55 GLY H 1.0 . 5.50 618 582 A 54 ARG HBy A 55 GLY H 1.0 . 3.95 619 583 A 55 GLY H A 54 ARG HG2 1.0 . 5.10 620 583 A 54 ARG HG3 A 55 GLY H 1.0 . 5.10 621 584 A 54 ARG H A 55 GLY H 1.0 . 5.13 622 585 A 55 GLY H A 40 GLU HG2 1.0 . 5.50 623 585 A 40 GLU HG3 A 55 GLY H 1.0 . 5.50 624 586 A 38 THR HG2% A 55 GLY H 1.0 . 5.50 625 587 A 34 ASN HBy A 38 THR H 1.0 . 3.41 626 588 A 38 THR H A 37 LYS HBy 1.0 . 5.32 627 589 A 38 THR H A 37 LYS HBx 1.0 . 5.50 628 590 A 99 GLY H A 98 ASP HBx 1.0 . 5.01 629 591 A 99 GLY H A 97 LYS HG2 1.0 . 5.50 630 591 A 99 GLY H A 97 LYS HG3 1.0 . 5.50 631 592 A 99 GLY H A 100 ASN HA 1.0 . 5.07 632 593 A 99 GLY H A 97 LYS HBx 1.0 . 5.50 633 594 A 99 GLY H A 98 ASP H 1.0 . 3.36 634 595 A 93 ASN HD2x A 99 GLY H 1.0 . 4.78 635 596 A 99 GLY H A 98 ASP HBy 1.0 . 4.68 636 597 A 65 LEU HBy A 60 SER HBy 1.0 . 5.20 637 598 A 65 LEU HBy A 60 SER HBx 1.0 . 5.14 638 599 A 38 THR HA A 55 GLY HAy 1.0 . 5.50 639 600 A 106 GLU H A 105 LEU HBy 1.0 . 4.38 640 601 A 105 LEU HBy A 16 TRP HBx 1.0 . 3.60 641 601 A 105 LEU HBy A 16 TRP HBy 1.0 . 3.60 642 602 A 56 THR H A 55 GLY HAy 1.0 . 3.24 643 603 A 51 VAL H A 50 GLY HAy 1.0 . 3.01 644 604 A 50 GLY HAy A 51 VAL HG1% 1.0 . 4.56 645 604 A 51 VAL HG2% A 50 GLY HAy 1.0 . 4.56 646 605 A 45 SER H A 44 GLY HAx 1.0 . 3.29 647 606 A 44 GLY HAy A 45 SER H 1.0 . 3.40 648 607 A 44 GLY HAy A 45 SER HA 1.0 . 4.87 649 608 A 51 VAL H A 50 GLY HAx 1.0 . 3.46 650 609 A 50 GLY HAx A 51 VAL HG1% 1.0 . 4.77 651 609 A 51 VAL HG2% A 50 GLY HAx 1.0 . 4.77 652 610 A 51 VAL HA A 50 GLY HAx 1.0 . 4.55 653 611 A 49 ASN HA A 50 GLY HAy 1.0 . 5.10 654 612 A 14 GLY HAx A 15 LYS HEx 1.0 . 4.43 655 613 A 14 GLY HAy A 15 LYS H 1.0 . 3.01 656 614 A 13 VAL HGx% A 14 GLY HAx 1.0 . 4.98 657 615 A 15 LYS H A 14 GLY HAx 1.0 . 3.17 658 616 A 15 LYS HGx A 14 GLY HAx 1.0 . 4.95 659 617 A 32 THR HG2% A 14 GLY HAx 1.0 . 4.60 660 618 A 31 TYR HBy A 16 TRP HBx 1.0 . 4.28 661 618 A 31 TYR HBy A 16 TRP HBy 1.0 . 4.28 662 619 A 31 TYR H A 31 TYR HBy 1.0 . 3.87 663 620 A 8 GLU H A 84 LEU HBx 1.0 . 5.02 664 621 A 84 LEU HBx A 7 VAL HA 1.0 . 4.05 665 622 A 81 ILE HG2% A 84 LEU HBx 1.0 . 3.53 666 623 A 15 LYS HGy A 14 GLY HAx 1.0 . 5.50 667 624 A 54 ARG HA A 54 ARG HD2 1.0 . 4.65 668 624 A 54 ARG HD3 A 54 ARG HA 1.0 . 4.65 669 625 A 40 GLU HG3 A 54 ARG HD2 1.0 . 4.27 670 625 A 40 GLU HG2 A 54 ARG HD2 1.0 . 4.27 671 625 A 54 ARG HD3 A 40 GLU HG2 1.0 . 4.27 672 625 A 54 ARG HD3 A 40 GLU HG3 1.0 . 4.27 673 626 A 54 ARG HBy A 54 ARG HD2 1.0 . 3.07 674 626 A 54 ARG HBy A 54 ARG HD3 1.0 . 3.07 675 627 A 54 ARG HD2 A 54 ARG HG2 1.0 . 2.65 676 627 A 54 ARG HD3 A 54 ARG HG2 1.0 . 2.65 677 627 A 54 ARG HG3 A 54 ARG HD2 1.0 . 2.65 678 627 A 54 ARG HG3 A 54 ARG HD3 1.0 . 2.65 679 628 A 38 THR HG2% A 54 ARG HD2 1.0 . 5.22 680 628 A 54 ARG HD3 A 38 THR HG2% 1.0 . 5.22 681 629 A 31 TYR HBy A 40 GLU H 1.0 . 5.46 682 630 A 31 TYR H A 31 TYR HBx 1.0 . 3.95 683 631 A 31 TYR HBx A 16 TRP HBx 1.0 . 4.19 684 631 A 31 TYR HBx A 16 TRP HBy 1.0 . 4.19 685 632 A 56 THR H A 39 TYR HB2 1.0 . 5.50 686 632 A 39 TYR HB3 A 56 THR H 1.0 . 5.50 687 633 A 68 LEU HDy% A 57 TYR HBy 1.0 . 4.32 688 634 A 33 PHE HBx A 57 TYR HBx 1.0 . 5.14 689 635 A 103 LYS HBx A 103 LYS HEx 1.0 . 5.25 690 636 A 58 ILE H A 57 TYR HBy 1.0 . 3.98 691 637 A 58 ILE H A 57 TYR HBx 1.0 . 3.66 692 638 A 84 LEU HDy% A 12 LEU HBy 1.0 . 5.50 693 639 A 84 LEU HDx% A 12 LEU HBy 1.0 . 4.94 694 640 A 12 LEU H A 12 LEU HBy 1.0 . 3.73 695 641 A 12 LEU H A 12 LEU HBx 1.0 . 3.58 696 642 A 84 LEU HDy% A 12 LEU HBx 1.0 . 4.52 697 643 A 84 LEU HDx% A 12 LEU HBx 1.0 . 3.97 698 644 A 103 LYS HGy A 103 LYS HEy 1.0 . 3.35 699 645 A 103 LYS HGx A 103 LYS HEy 1.0 . 3.10 700 646 A 103 LYS HEy A 18 VAL HGy% 1.0 . 4.40 701 647 A 103 LYS HEx A 18 VAL HGy% 1.0 . 4.30 702 648 A 103 LYS HEx A 31 TYR HE% 1.0 . 5.11 703 649 A 107 LYS HEx A 16 TRP HBx 1.0 . 5.38 704 649 A 107 LYS HEx A 16 TRP HBy 1.0 . 5.38 705 650 A 83 LYS H A 82 LEU HBx 1.0 . 4.14 706 651 A 90 LYS HBy A 82 LEU HBx 1.0 . 3.83 707 652 A 82 LEU H A 82 LEU HBx 1.0 . 3.67 708 653 A 107 LYS HEy A 16 TRP HZ2 1.0 . 5.50 709 654 A 14 GLY HAy A 107 LYS HEy 1.0 . 3.96 710 655 A 107 LYS HEy A 16 TRP HH2 1.0 . 5.28 711 656 A 107 LYS HEy A 107 LYS HG2 1.0 . 4.09 712 656 A 107 LYS HEy A 107 LYS HG3 1.0 . 4.09 713 657 A 107 LYS HEx A 15 LYS H 1.0 . 5.18 714 658 A 107 LYS HEx A 16 TRP HH2 1.0 . 4.27 715 659 A 107 LYS HEx A 14 GLY HAx 1.0 . 5.38 716 660 A 107 LYS HEx A 107 LYS HG2 1.0 . 3.84 717 660 A 107 LYS HEx A 107 LYS HG3 1.0 . 3.84 718 661 A 14 GLY HAy A 107 LYS HEx 1.0 . 3.95 719 662 A 23 LEU HBy A 24 GLN H 1.0 . 3.88 720 663 A 58 ILE H A 58 ILE HB 1.0 . 3.48 721 664 A 58 ILE HB A 59 ILE H 1.0 . 4.06 722 665 A 67 LYS H A 58 ILE HB 1.0 . 4.74 723 666 A 23 LEU HBy A 23 LEU HDx% 1.0 . 3.43 724 667 A 23 LEU H A 23 LEU HBx 1.0 . 3.87 725 668 A 23 LEU HBx A 23 LEU HDx% 1.0 . 3.12 726 669 A 7 VAL HB A 83 LYS HEy 1.0 . 4.00 727 670 A 37 LYS HGx A 37 LYS HE2 1.0 . 3.91 728 670 A 37 LYS HGx A 37 LYS HE3 1.0 . 3.91 729 671 A 47 LEU HBy A 47 LEU HDx% 1.0 . 3.39 730 672 A 69 TYR HBy A 55 GLY HAy 1.0 . 5.50 731 673 A 83 LYS HEy A 7 VAL HGy% 1.0 . 3.96 732 673 A 83 LYS HEy A 7 VAL HGx% 1.0 . 3.96 733 674 A 70 ASP HBx A 71 LYS HD2 1.0 . 2.84 734 674 A 70 ASP HBx A 71 LYS HD3 1.0 . 2.84 735 675 A 37 LYS HGy A 37 LYS HE2 1.0 . 3.56 736 675 A 37 LYS HE3 A 37 LYS HGy 1.0 . 3.56 737 676 A 69 TYR HE% A 67 LYS HE2 1.0 . 5.50 738 676 A 69 TYR HE% A 67 LYS HE3 1.0 . 5.50 739 677 A 47 LEU H A 47 LEU HBy 1.0 . 4.02 740 678 A 69 TYR H A 69 TYR HBy 1.0 . 3.63 741 679 A 69 TYR HBy A 73 GLU HA 1.0 . 4.35 742 680 A 69 TYR HBy A 56 THR H 1.0 . 4.38 743 681 A 70 ASP H A 70 ASP HBx 1.0 . 3.81 744 682 A 70 ASP HBx A 71 LYS H 1.0 . 3.46 745 683 A 87 LYS HD3 A 87 LYS HE2 1.0 . 2.79 746 683 A 87 LYS HD2 A 87 LYS HE2 1.0 . 2.79 747 683 A 87 LYS HE3 A 87 LYS HD2 1.0 . 2.79 748 683 A 87 LYS HD3 A 87 LYS HE3 1.0 . 2.79 749 684 A 88 GLU HGx A 87 LYS HE2 1.0 . 5.50 750 684 A 87 LYS HE3 A 88 GLU HGx 1.0 . 5.50 751 685 A 69 TYR HBx A 56 THR H 1.0 . 4.85 752 686 A 69 TYR H A 69 TYR HBx 1.0 . 4.06 753 687 A 42 TYR HBy A 52 PRO HBy 1.0 . 4.06 754 688 A 67 LYS HGx A 67 LYS HE2 1.0 . 4.23 755 688 A 67 LYS HGx A 67 LYS HE3 1.0 . 4.23 756 689 A 65 LEU HDx% A 67 LYS HE2 1.0 . 4.20 757 689 A 67 LYS HE3 A 65 LEU HDx% 1.0 . 4.20 758 690 A 42 TYR HBx A 52 PRO HBy 1.0 . 4.93 759 691 A 15 LYS HGx A 15 LYS HEx 1.0 . 4.17 760 692 A 70 ASP HBy A 71 LYS H 1.0 . 3.25 761 693 A 70 ASP H A 70 ASP HBy 1.0 . 4.20 762 694 A 71 LYS HD3 A 71 LYS HE2 1.0 . 3.00 763 694 A 71 LYS HD2 A 71 LYS HE2 1.0 . 3.00 764 694 A 71 LYS HE3 A 71 LYS HD2 1.0 . 3.00 765 694 A 71 LYS HD3 A 71 LYS HE3 1.0 . 3.00 766 695 A 87 LYS HGx A 87 LYS HE2 1.0 . 3.38 767 695 A 87 LYS HE3 A 87 LYS HGx 1.0 . 3.38 768 696 A 82 LEU HDy% A 90 LYS HE2 1.0 . 4.10 769 696 A 82 LEU HDy% A 90 LYS HE3 1.0 . 4.10 770 697 A 90 LYS HBy A 90 LYS HE2 1.0 . 4.02 771 697 A 90 LYS HBy A 90 LYS HE3 1.0 . 4.02 772 698 A 90 LYS HD2 A 90 LYS HE2 1.0 . 2.87 773 698 A 90 LYS HE3 A 90 LYS HD2 1.0 . 2.87 774 698 A 90 LYS HE3 A 90 LYS HD3 1.0 . 2.87 775 698 A 90 LYS HD3 A 90 LYS HE2 1.0 . 2.87 776 699 A 90 LYS HGx A 90 LYS HE2 1.0 . 3.14 777 699 A 90 LYS HE3 A 90 LYS HGx 1.0 . 3.14 778 700 A 110 ASP H A 110 ASP HBy 1.0 . 3.86 779 701 A 67 LYS H A 66 ILE HB 1.0 . 4.74 780 702 A 71 LYS HB3 A 71 LYS HE2 1.0 . 4.90 781 702 A 71 LYS HB2 A 71 LYS HE2 1.0 . 4.90 782 702 A 71 LYS HE3 A 71 LYS HB2 1.0 . 4.90 783 702 A 71 LYS HB3 A 71 LYS HE3 1.0 . 4.90 784 703 A 61 LEU H A 61 LEU HB2 1.0 . 3.43 785 703 A 61 LEU H A 61 LEU HB3 1.0 . 3.43 786 704 A 61 LEU HDy% A 61 LEU HB2 1.0 . 3.42 787 704 A 61 LEU HB3 A 61 LEU HDy% 1.0 . 3.42 788 705 A 80 HIS HBx A 79 TYR HBx 1.0 . 5.38 789 706 A 66 ILE HB A 59 ILE HD1% 1.0 . 4.18 790 707 A 79 TYR HBy A 91 TRP HBy 1.0 . 3.73 791 707 A 79 TYR HBy A 91 TRP HBx 1.0 . 3.73 792 708 A 92 GLU H A 79 TYR HBy 1.0 . 5.50 793 709 A 79 TYR HBx A 91 TRP HBy 1.0 . 4.43 794 709 A 79 TYR HBx A 91 TRP HBx 1.0 . 4.43 795 710 A 79 TYR HBx A 91 TRP HA 1.0 . 4.91 796 711 A 34 ASN HBx A 37 LYS H 1.0 . 3.84 797 712 A 34 ASN HBx A 38 THR H 1.0 . 4.02 798 713 A 33 PHE HBy A 12 LEU HDy% 1.0 . 5.20 799 714 A 33 PHE HBy A 13 VAL HA 1.0 . 3.68 800 715 A 33 PHE HBy A 12 LEU HG 1.0 . 3.81 801 716 A 33 PHE HBy A 33 PHE H 1.0 . 3.54 802 717 A 102 ASP HBy A 92 GLU HB2 1.0 . 5.37 803 717 A 92 GLU HB3 A 102 ASP HBy 1.0 . 5.37 804 718 A 33 PHE H A 33 PHE HBx 1.0 . 3.87 805 719 A 33 PHE HBx A 13 VAL HA 1.0 . 3.90 806 720 A 68 LEU H A 68 LEU HBx 1.0 . 3.90 807 721 A 53 PHE H A 53 PHE HBy 1.0 . 3.41 808 722 A 54 ARG H A 53 PHE HBy 1.0 . 4.85 809 723 A 41 VAL H A 53 PHE HBy 1.0 . 4.46 810 724 A 41 VAL H A 53 PHE HBx 1.0 . 4.17 811 725 A 53 PHE H A 53 PHE HBx 1.0 . 3.48 812 726 A 41 VAL HGx% A 53 PHE HBx 1.0 . 3.40 813 727 A 27 PHE HBy A 23 LEU HBx 1.0 . 3.96 814 728 A 23 LEU HBy A 27 PHE HBx 1.0 . 4.06 815 729 A 27 PHE HBx A 23 LEU HBx 1.0 . 4.27 816 730 A 92 GLU HA A 102 ASP HBx 1.0 . 5.50 817 731 A 17 ILE HB A 108 TYR HBy 1.0 . 4.78 818 732 A 59 ILE HB A 81 ILE HD1% 1.0 . 5.50 819 733 A 59 ILE HB A 59 ILE H 1.0 . 4.21 820 734 A 41 VAL HB A 53 PHE HBx 1.0 . 4.35 821 735 A 54 ARG H A 53 PHE HBx 1.0 . 4.63 822 736 A 23 LEU HBy A 27 PHE HBy 1.0 . 3.84 823 737 A 27 PHE HBy A 23 LEU HDx% 1.0 . 3.95 824 738 A 109 ASN HBy A 109 ASN HD2y 1.0 . 3.67 825 739 A 109 ASN HBx A 109 ASN HD2y 1.0 . 3.63 826 740 A 17 ILE HB A 17 ILE H 1.0 . 3.28 827 741 A 109 ASN H A 108 TYR HBy 1.0 . 4.52 828 742 A 27 PHE HD% A 25 ASP HBy 1.0 . 5.26 829 743 A 27 PHE H A 26 ASP HBx 1.0 . 4.82 830 743 A 27 PHE H A 26 ASP HBy 1.0 . 4.82 831 744 A 108 TYR H A 108 TYR HBy 1.0 . 3.37 832 745 A 108 TYR HBx A 15 LYS HB2 1.0 . 3.64 833 745 A 15 LYS HB3 A 108 TYR HBx 1.0 . 3.64 834 746 A 108 TYR H A 108 TYR HBx 1.0 . 3.27 835 747 A 25 ASP H A 25 ASP HBx 1.0 . 4.10 836 748 A 24 GLN HBy A 25 ASP HBx 1.0 . 5.44 837 749 A 27 PHE HD% A 25 ASP HBx 1.0 . 4.50 838 750 A 105 LEU HD1% A 103 LYS HBy 1.0 . 5.19 839 751 A 105 LEU HD1% A 103 LYS HBx 1.0 . 4.85 840 752 A 26 ASP H A 26 ASP HBx 1.0 . 3.57 841 752 A 26 ASP H A 26 ASP HBy 1.0 . 3.57 842 753 A 18 VAL HGx% A 103 LYS HBy 1.0 . 4.14 843 754 A 18 VAL HGx% A 103 LYS HBx 1.0 . 4.86 844 755 A 104 ARG H A 103 LYS HBy 1.0 . 5.07 845 756 A 36 ASP HBy A 35 ALA HB% 1.0 . 5.22 846 757 A 49 ASN H A 49 ASN HBy 1.0 . 3.91 847 758 A 49 ASN HBy A 50 GLY HAx 1.0 . 5.50 848 759 A 100 ASN HBx A 101 SER H 1.0 . 3.41 849 760 A 100 ASN HBy A 93 ASN HD2y 1.0 . 3.69 850 761 A 93 ASN HD2x A 100 ASN HBy 1.0 . 4.08 851 762 A 100 ASN HBx A 100 ASN HD2y 1.0 . 3.99 852 763 A 93 ASN HD2x A 100 ASN HBx 1.0 . 5.41 853 764 A 82 LEU H A 81 ILE HB 1.0 . 5.50 854 765 A 81 ILE HD1% A 81 ILE HB 1.0 . 4.13 855 766 A 89 MET H A 88 GLU HGx 1.0 . 4.52 856 767 A 93 ASN H A 93 ASN HBy 1.0 . 3.39 857 768 A 93 ASN HD2x A 93 ASN HBy 1.0 . 4.04 858 769 A 89 MET H A 88 GLU HGy 1.0 . 4.05 859 770 A 85 THR HG2% A 88 GLU HGx 1.0 . 5.50 860 771 A 93 ASN HBx A 92 GLU HA 1.0 . 5.50 861 772 A 107 LYS H A 106 GLU HGy 1.0 . 4.89 862 773 A 107 LYS H A 106 GLU HGx 1.0 . 4.63 863 774 A 88 GLU H A 88 GLU HGy 1.0 . 5.50 864 775 A 85 THR HG2% A 88 GLU HGy 1.0 . 4.84 865 776 A 106 GLU H A 106 GLU HGy 1.0 . 5.25 866 777 A 63 GLU H A 63 GLU HGx 1.0 . 4.10 867 778 A 65 LEU HDy% A 63 GLU HGx 1.0 . 5.50 868 779 A 72 GLU HBx A 72 GLU HG2 1.0 . 2.66 869 779 A 72 GLU HBx A 72 GLU HG3 1.0 . 2.66 870 780 A 92 GLU HGy A 92 GLU HA 1.0 . 4.09 871 781 A 72 GLU H A 72 GLU HG2 1.0 . 3.52 872 781 A 72 GLU H A 72 GLU HG3 1.0 . 3.52 873 782 A 72 GLU HA A 72 GLU HG2 1.0 . 2.90 874 782 A 72 GLU HA A 72 GLU HG3 1.0 . 2.90 875 783 A 82 LEU HDy% A 92 GLU HGx 1.0 . 5.00 876 784 A 40 GLU H A 40 GLU HG2 1.0 . 3.93 877 784 A 40 GLU HG3 A 40 GLU H 1.0 . 3.93 878 785 A 40 GLU HBy A 40 GLU HG2 1.0 . 2.44 879 785 A 40 GLU HG3 A 40 GLU HBy 1.0 . 2.44 880 786 A 92 GLU HGy A 93 ASN HBy 1.0 . 5.50 881 787 A 20 GLU HA A 20 GLU HGy 1.0 . 3.61 882 788 A 93 ASN H A 92 GLU HGx 1.0 . 5.50 883 789 A 20 GLU HA A 20 GLU HGx 1.0 . 3.83 884 790 A 32 THR HG2% A 40 GLU HG2 1.0 . 5.14 885 790 A 40 GLU HG3 A 32 THR HG2% 1.0 . 5.14 886 791 A 54 ARG HA A 40 GLU HG2 1.0 . 4.76 887 791 A 40 GLU HG3 A 54 ARG HA 1.0 . 4.76 888 792 A 54 ARG H A 40 GLU HG2 1.0 . 5.50 889 792 A 54 ARG H A 40 GLU HG3 1.0 . 5.50 890 793 A 83 LYS HBy A 83 LYS HDy 1.0 . 3.46 891 794 A 90 LYS H A 83 LYS HBx 1.0 . 4.80 892 795 A 20 GLU H A 20 GLU HGx 1.0 . 5.11 893 796 A 90 LYS HBy A 83 LYS H 1.0 . 4.11 894 797 A 90 LYS HBy A 90 LYS HGy 1.0 . 2.92 895 798 A 90 LYS HBx A 90 LYS HGx 1.0 . 2.80 896 799 A 77 GLU H A 77 GLU HG2 1.0 . 5.06 897 799 A 77 GLU H A 77 GLU HG3 1.0 . 5.06 898 800 A 8 GLU H A 8 GLU HGy 1.0 . 4.04 899 801 A 8 GLU HGy A 8 GLU HA 1.0 . 3.74 900 802 A 77 GLU HA A 77 GLU HG2 1.0 . 3.58 901 802 A 77 GLU HG3 A 77 GLU HA 1.0 . 3.58 902 803 A 100 ASN HA A 77 GLU HG2 1.0 . 4.02 903 803 A 100 ASN HA A 77 GLU HG3 1.0 . 4.02 904 804 A 3 GLU H A 3 GLU HGy 1.0 . 5.07 905 804 A 3 GLU H A 3 GLU HGx 1.0 . 5.07 906 805 A 8 GLU H A 8 GLU HGx 1.0 . 4.29 907 806 A 8 GLU HA A 8 GLU HGx 1.0 . 3.79 908 807 A 8 GLU HGx A 10 PRO HDx 1.0 . 5.50 909 808 A 67 LYS HBy A 78 GLN HA 1.0 . 4.28 910 809 A 78 GLN HA A 67 LYS HBx 1.0 . 4.78 911 810 A 29 THR H A 28 VAL HB 1.0 . 3.80 912 811 A 68 LEU H A 67 LYS HBx 1.0 . 5.03 913 812 A 67 LYS HBx A 66 ILE HG1x 1.0 . 5.50 914 813 A 89 MET HBy A 89 MET HE% 1.0 . 4.39 915 814 A 89 MET H A 88 GLU HBx 1.0 . 4.51 916 815 A 89 MET H A 88 GLU HBy 1.0 . 4.99 917 816 A 41 VAL HB A 31 TYR HBy 1.0 . 5.50 918 817 A 108 TYR HBy A 15 LYS HB2 1.0 . 3.32 919 817 A 15 LYS HB3 A 108 TYR HBy 1.0 . 3.32 920 818 A 15 LYS HDx A 15 LYS HB2 1.0 . 2.91 921 818 A 15 LYS HB3 A 15 LYS HDx 1.0 . 2.91 922 819 A 10 PRO HDx A 9 ILE HB 1.0 . 5.14 923 820 A 20 GLU HA A 21 PRO HBx 1.0 . 5.13 924 821 A 32 THR HB A 40 GLU HBy 1.0 . 4.06 925 822 A 40 GLU HBx A 40 GLU HG2 1.0 . 2.84 926 822 A 40 GLU HG3 A 40 GLU HBx 1.0 . 2.84 927 823 A 91 TRP H A 91 TRP HBy 1.0 . 3.32 928 823 A 91 TRP H A 91 TRP HBx 1.0 . 3.32 929 824 A 22 VAL H A 21 PRO HBy 1.0 . 3.63 930 825 A 20 GLU HA A 21 PRO HBy 1.0 . 5.03 931 826 A 9 ILE H A 9 ILE HB 1.0 . 3.45 932 827 A 8 GLU HA A 9 ILE HB 1.0 . 4.62 933 828 A 22 VAL H A 21 PRO HBx 1.0 . 3.51 934 829 A 41 VAL H A 40 GLU HBy 1.0 . 5.50 935 830 A 103 LYS H A 91 TRP HBy 1.0 . 3.90 936 830 A 103 LYS H A 91 TRP HBx 1.0 . 3.90 937 831 A 23 LEU HDy% A 21 PRO HBy 1.0 . 5.50 938 832 A 107 LYS HBy A 106 GLU HBy 1.0 . 4.89 939 833 A 107 LYS H A 106 GLU HBy 1.0 . 5.07 940 834 A 106 GLU HBx A 106 GLU H 1.0 . 3.76 941 835 A 23 LEU HBx A 24 GLN HG2 1.0 . 5.43 942 835 A 23 LEU HBx A 24 GLN HG3 1.0 . 5.43 943 836 A 16 TRP H A 16 TRP HBx 1.0 . 3.87 944 836 A 16 TRP H A 16 TRP HBy 1.0 . 3.87 945 837 A 105 LEU HBx A 16 TRP HBx 1.0 . 3.98 946 837 A 105 LEU HBx A 16 TRP HBy 1.0 . 3.98 947 838 A 25 ASP H A 24 GLN HG2 1.0 . 4.02 948 838 A 25 ASP H A 24 GLN HG3 1.0 . 4.02 949 839 A 24 GLN H A 24 GLN HG2 1.0 . 3.37 950 839 A 24 GLN H A 24 GLN HG3 1.0 . 3.37 951 840 A 24 GLN HBy A 24 GLN HG2 1.0 . 2.82 952 840 A 24 GLN HBy A 24 GLN HG3 1.0 . 2.82 953 841 A 24 GLN HBx A 24 GLN HG2 1.0 . 2.83 954 841 A 24 GLN HBx A 24 GLN HG3 1.0 . 2.83 955 842 A 78 GLN HA A 77 GLU HBy 1.0 . 4.22 956 843 A 77 GLU HBx A 68 LEU HDx% 1.0 . 4.40 957 844 A 105 LEU H A 104 ARG HBy 1.0 . 5.11 958 845 A 6 LYS H A 6 LYS HB2 1.0 . 3.17 959 845 A 6 LYS HB3 A 6 LYS H 1.0 . 3.17 960 846 A 7 VAL H A 7 VAL HB 1.0 . 3.19 961 847 A 92 GLU H A 92 GLU HB2 1.0 . 3.56 962 847 A 92 GLU HB3 A 92 GLU H 1.0 . 3.56 963 848 A 82 LEU HG A 92 GLU HB2 1.0 . 3.73 964 848 A 92 GLU HB3 A 82 LEU HG 1.0 . 3.73 965 849 A 80 HIS H A 92 GLU HB2 1.0 . 5.48 966 849 A 92 GLU HB3 A 80 HIS H 1.0 . 5.48 967 850 A 80 HIS HBx A 92 GLU HB2 1.0 . 3.70 968 850 A 92 GLU HB3 A 80 HIS HBx 1.0 . 3.70 969 851 A 51 VAL H A 51 VAL HB 1.0 . 3.08 970 852 A 51 VAL HB A 52 PRO HDx 1.0 . 5.20 971 853 A 20 GLU H A 20 GLU HBx 1.0 . 3.85 972 854 A 54 ARG HBx A 54 ARG HD2 1.0 . 3.62 973 854 A 54 ARG HD3 A 54 ARG HBx 1.0 . 3.62 974 855 A 78 GLN H A 78 GLN HGy 1.0 . 4.71 975 856 A 79 TYR HA A 78 GLN HGx 1.0 . 5.40 976 857 A 20 GLU HBx A 21 PRO HA 1.0 . 4.30 977 858 A 54 ARG H A 54 ARG HBx 1.0 . 3.73 978 859 A 77 GLU HA A 78 GLN HGy 1.0 . 4.89 979 860 A 78 GLN HE2y A 78 GLN HGy 1.0 . 3.88 980 861 A 19 LYS H A 19 LYS HBy 1.0 . 3.99 981 862 A 78 GLN HE2y A 78 GLN HGx 1.0 . 4.05 982 863 A 78 GLN HA A 78 GLN HGx 1.0 . 3.97 983 864 A 78 GLN HBy A 78 GLN HGx 1.0 . 2.96 984 865 A 78 GLN H A 78 GLN HGx 1.0 . 4.72 985 866 A 19 LYS HBy A 19 LYS HE2 1.0 . 4.25 986 866 A 19 LYS HBy A 19 LYS HE3 1.0 . 4.25 987 867 A 53 PHE H A 52 PRO HBy 1.0 . 4.14 988 868 A 23 LEU H A 22 VAL HB 1.0 . 3.93 989 869 A 11 GLN H A 11 GLN HGx 1.0 . 4.93 990 870 A 11 GLN HGx A 86 SER HA 1.0 . 4.24 991 871 A 22 VAL H A 22 VAL HB 1.0 . 2.95 992 872 A 53 PHE H A 52 PRO HBx 1.0 . 4.05 993 873 A 108 TYR HBx A 107 LYS HBx 1.0 . 5.42 994 874 A 87 LYS HA A 107 LYS HBx 1.0 . 4.10 995 875 A 107 LYS H A 107 LYS HBy 1.0 . 3.45 996 876 A 107 LYS HBy A 87 LYS HA 1.0 . 3.84 997 877 A 107 LYS HBx A 107 LYS HDx 1.0 . 3.88 998 878 A 107 LYS H A 107 LYS HBx 1.0 . 3.79 999 879 A 71 LYS H A 71 LYS HB2 1.0 . 2.92 1000 879 A 71 LYS HB3 A 71 LYS H 1.0 . 2.92 1001 880 A 71 LYS HGx A 71 LYS HB2 1.0 . 2.86 1002 880 A 71 LYS HB3 A 71 LYS HGx 1.0 . 2.86 1003 881 A 97 LYS H A 96 PRO HBx 1.0 . 4.66 1004 882 A 39 TYR H A 38 THR HB 1.0 . 3.80 1005 883 A 47 LEU HBx A 46 PRO HBy 1.0 . 5.50 1006 884 A 13 VAL H A 13 VAL HB 1.0 . 2.88 1007 885 A 67 LYS HA A 78 GLN HBx 1.0 . 5.11 1008 886 A 56 THR HB A 57 TYR H 1.0 . 3.52 1009 887 A 13 VAL HGy% A 10 PRO HBy 1.0 . 5.41 1010 888 A 67 LYS HA A 78 GLN HBy 1.0 . 4.79 1011 889 A 18 VAL H A 18 VAL HB 1.0 . 3.23 1012 890 A 18 VAL HB A 29 THR HB 1.0 . 3.28 1013 891 A 18 VAL HB A 103 LYS HEy 1.0 . 5.50 1014 892 A 65 LEU HDy% A 78 GLN HBx 1.0 . 5.50 1015 893 A 56 THR HB A 57 TYR HA 1.0 . 4.67 1016 894 A 29 THR HG2% A 30 CYS HBy 1.0 . 4.99 1017 895 A 17 ILE HD1% A 30 CYS HBy 1.0 . 5.28 1018 896 A 30 CYS H A 30 CYS HBx 1.0 . 3.51 1019 897 A 108 TYR HE% A 30 CYS HBx 1.0 . 5.00 1020 898 A 31 TYR H A 30 CYS HBy 1.0 . 4.38 1021 899 A 17 ILE HD1% A 30 CYS HBx 1.0 . 4.86 1022 900 A 29 THR HG2% A 30 CYS HBx 1.0 . 5.08 1023 901 A 83 LYS HBy A 83 LYS HDx 1.0 . 3.93 1024 902 A 83 LYS HDx A 7 VAL HGy% 1.0 . 5.50 1025 902 A 7 VAL HGx% A 83 LYS HDx 1.0 . 5.50 1026 903 A 32 THR HG2% A 15 LYS HDx 1.0 . 5.50 1027 904 A 78 GLN HA A 67 LYS HD2 1.0 . 4.17 1028 904 A 78 GLN HA A 67 LYS HD3 1.0 . 4.17 1029 905 A 83 LYS HDx A 83 LYS HGx 1.0 . 3.01 1030 906 A 10 PRO HDx A 8 GLU HBy 1.0 . 5.50 1031 907 A 10 PRO HDx A 8 GLU HBx 1.0 . 5.26 1032 908 A 24 GLN HBx A 25 ASP H 1.0 . 3.72 1033 909 A 24 GLN HBx A 23 LEU HA 1.0 . 5.50 1034 910 A 32 THR HB A 40 GLU HG2 1.0 . 3.87 1035 910 A 40 GLU HG3 A 32 THR HB 1.0 . 3.87 1036 911 A 40 GLU HBx A 32 THR HB 1.0 . 3.52 1037 912 A 8 GLU H A 8 GLU HBy 1.0 . 3.74 1038 913 A 8 GLU H A 8 GLU HBx 1.0 . 3.64 1039 914 A 39 TYR HA A 32 THR HB 1.0 . 5.19 1040 915 A 80 HIS H A 80 HIS HBy 1.0 . 3.62 1041 916 A 80 HIS H A 80 HIS HBx 1.0 . 3.60 1042 917 A 3 GLU HBy A 3 GLU HGy 1.0 . 2.40 1043 917 A 3 GLU HGx A 3 GLU HBy 1.0 . 2.40 1044 918 A 72 GLU H A 72 GLU HBy 1.0 . 3.67 1045 919 A 3 GLU HBx A 3 GLU HGy 1.0 . 2.55 1046 919 A 3 GLU HBx A 3 GLU HGx 1.0 . 2.55 1047 920 A 18 VAL HGx% A 103 LYS HDy 1.0 . 3.85 1048 921 A 29 THR HB A 18 VAL HGy% 1.0 . 3.03 1049 922 A 81 ILE H A 80 HIS HBy 1.0 . 4.46 1050 923 A 80 HIS HBy A 92 GLU HB2 1.0 . 3.67 1051 923 A 92 GLU HB3 A 80 HIS HBy 1.0 . 3.67 1052 924 A 94 ALA HB% A 80 HIS HBy 1.0 . 5.50 1053 925 A 81 ILE H A 80 HIS HBx 1.0 . 5.20 1054 926 A 82 LEU HDy% A 80 HIS HBx 1.0 . 5.50 1055 927 A 72 GLU H A 72 GLU HBx 1.0 . 3.45 1056 928 A 71 LYS HB2 A 71 LYS HD2 1.0 . 2.99 1057 928 A 71 LYS HB3 A 71 LYS HD2 1.0 . 2.99 1058 928 A 71 LYS HD3 A 71 LYS HB2 1.0 . 2.99 1059 928 A 71 LYS HB3 A 71 LYS HD3 1.0 . 2.99 1060 929 A 71 LYS HGy A 71 LYS HD2 1.0 . 2.40 1061 929 A 71 LYS HD3 A 71 LYS HGy 1.0 . 2.40 1062 930 A 71 LYS HA A 71 LYS HD2 1.0 . 3.88 1063 930 A 71 LYS HD3 A 71 LYS HA 1.0 . 3.88 1064 931 A 57 TYR HD% A 66 ILE HG1y 1.0 . 5.50 1065 932 A 18 VAL HA A 105 LEU HG 1.0 . 4.26 1066 933 A 87 LYS HGy A 87 LYS HD2 1.0 . 2.46 1067 933 A 87 LYS HGy A 87 LYS HD3 1.0 . 2.46 1068 934 A 67 LYS H A 66 ILE HG1y 1.0 . 4.05 1069 935 A 68 LEU HG A 57 TYR HBx 1.0 . 5.35 1070 936 A 67 LYS H A 66 ILE HG1x 1.0 . 4.13 1071 937 A 66 ILE HA A 66 ILE HG1x 1.0 . 4.03 1072 938 A 37 LYS HA A 37 LYS HDx 1.0 . 4.68 1073 939 A 59 ILE HD1% A 66 ILE HG1y 1.0 . 4.27 1074 940 A 66 ILE H A 66 ILE HG1x 1.0 . 5.25 1075 941 A 66 ILE HG2% A 66 ILE HG1x 1.0 . 3.77 1076 942 A 74 HIS H A 74 HIS HBx 1.0 . 3.42 1077 942 A 74 HIS H A 74 HIS HBy 1.0 . 3.42 1078 943 A 75 CYS H A 74 HIS HBx 1.0 . 5.22 1079 943 A 75 CYS H A 74 HIS HBy 1.0 . 5.22 1080 944 A 72 GLU HBx A 74 HIS HBx 1.0 . 5.34 1081 944 A 72 GLU HBx A 74 HIS HBy 1.0 . 5.34 1082 945 A 89 MET HGy A 81 ILE HG2% 1.0 . 4.08 1083 946 A 89 MET HGy A 90 LYS H 1.0 . 3.90 1084 947 A 17 ILE HA A 17 ILE HG1y 1.0 . 3.93 1085 948 A 54 ARG HA A 54 ARG HG2 1.0 . 3.77 1086 948 A 54 ARG HG3 A 54 ARG HA 1.0 . 3.77 1087 949 A 54 ARG HBy A 54 ARG HG2 1.0 . 2.93 1088 949 A 54 ARG HBy A 54 ARG HG3 1.0 . 2.93 1089 950 A 105 LEU HD1% A 89 MET HGx 1.0 . 5.28 1090 951 A 107 LYS HDy A 16 TRP HZ2 1.0 . 5.02 1091 952 A 107 LYS HDy A 86 SER HA 1.0 . 5.21 1092 953 A 18 VAL H A 105 LEU HD2% 1.0 . 5.50 1093 954 A 105 LEU HD2% A 31 TYR HBx 1.0 . 5.50 1094 955 A 18 VAL H A 17 ILE HG1y 1.0 . 4.41 1095 956 A 18 VAL H A 17 ILE HG1x 1.0 . 4.36 1096 957 A 17 ILE HG2% A 17 ILE HG1x 1.0 . 3.71 1097 958 A 105 LEU HD2% A 17 ILE H 1.0 . 5.50 1098 959 A 105 LEU HD2% A 16 TRP HD1 1.0 . 5.50 1099 960 A 105 LEU HD2% A 105 LEU HA 1.0 . 3.97 1100 961 A 18 VAL HA A 105 LEU HD2% 1.0 . 4.77 1101 962 A 105 LEU HD2% A 16 TRP HBx 1.0 . 3.33 1102 962 A 105 LEU HD2% A 16 TRP HBy 1.0 . 3.33 1103 963 A 105 LEU HD2% A 31 TYR HBy 1.0 . 4.75 1104 964 A 105 LEU HD2% A 105 LEU HBy 1.0 . 3.38 1105 965 A 9 ILE H A 9 ILE HG1y 1.0 . 4.41 1106 965 A 9 ILE H A 9 ILE HG1x 1.0 . 4.41 1107 966 A 11 GLN HBx A 11 GLN H 1.0 . 3.75 1108 967 A 59 ILE H A 59 ILE HG12 1.0 . 4.85 1109 967 A 59 ILE H A 59 ILE HG13 1.0 . 4.85 1110 968 A 69 TYR HE% A 58 ILE HG1y 1.0 . 4.71 1111 969 A 69 TYR HE% A 58 ILE HG1x 1.0 . 5.04 1112 970 A 58 ILE HG1x A 58 ILE HA 1.0 . 3.60 1113 971 A 58 ILE H A 58 ILE HG1x 1.0 . 5.25 1114 972 A 76 THR HB A 77 GLU HG2 1.0 . 4.95 1115 972 A 77 GLU HG3 A 76 THR HB 1.0 . 4.95 1116 973 A 37 LYS HBy A 37 LYS HE2 1.0 . 5.50 1117 973 A 37 LYS HBy A 37 LYS HE3 1.0 . 5.50 1118 974 A 82 LEU H A 82 LEU HG 1.0 . 3.75 1119 975 A 11 GLN HBx A 11 GLN HE2x 1.0 . 5.50 1120 976 A 95 SER HA A 96 PRO HG2 1.0 . 5.50 1121 976 A 95 SER HA A 96 PRO HG3 1.0 . 5.50 1122 977 A 97 LYS H A 96 PRO HG2 1.0 . 4.34 1123 977 A 97 LYS H A 96 PRO HG3 1.0 . 4.34 1124 978 A 61 LEU H A 61 LEU HG 1.0 . 4.36 1125 979 A 62 ASP H A 61 LEU HG 1.0 . 5.49 1126 980 A 47 LEU H A 47 LEU HG 1.0 . 3.84 1127 981 A 81 ILE H A 81 ILE HG1y 1.0 . 4.20 1128 982 A 91 TRP HE1 A 81 ILE HG1x 1.0 . 5.40 1129 983 A 66 ILE HG2% A 81 ILE HG1x 1.0 . 4.69 1130 984 A 81 ILE H A 81 ILE HG1x 1.0 . 5.08 1131 985 A 51 VAL HA A 52 PRO HGy 1.0 . 4.71 1132 986 A 51 VAL HA A 52 PRO HGx 1.0 . 5.06 1133 987 A 65 LEU HG A 66 ILE H 1.0 . 4.87 1134 988 A 23 LEU H A 23 LEU HG 1.0 . 3.34 1135 989 A 23 LEU HA A 23 LEU HG 1.0 . 4.23 1136 990 A 8 GLU H A 84 LEU HDx% 1.0 . 4.50 1137 991 A 84 LEU HDx% A 84 LEU HBx 1.0 . 3.26 1138 992 A 12 LEU HDx% A 59 ILE HG12 1.0 . 4.55 1139 992 A 12 LEU HDx% A 59 ILE HG13 1.0 . 4.55 1140 993 A 12 LEU HBx A 12 LEU HDx% 1.0 . 3.33 1141 994 A 12 LEU HDx% A 59 ILE HD1% 1.0 . 3.49 1142 995 A 12 LEU HG A 66 ILE HD1% 1.0 . 5.15 1143 996 A 84 LEU HDx% A 12 LEU H 1.0 . 5.01 1144 997 A 84 LEU HDx% A 84 LEU HA 1.0 . 4.70 1145 998 A 84 LEU HDx% A 11 GLN HBy 1.0 . 5.27 1146 999 A 33 PHE HBx A 12 LEU HDx% 1.0 . 4.42 1147 1000 A 12 LEU HBy A 12 LEU HDx% 1.0 . 3.19 1148 1001 A 12 LEU HDx% A 12 LEU HA 1.0 . 4.66 1149 1002 A 33 PHE HBy A 12 LEU HDx% 1.0 . 4.37 1150 1003 A 82 LEU HDy% A 90 LYS HGy 1.0 . 4.96 1151 1004 A 90 LYS HA A 90 LYS HGy 1.0 . 3.77 1152 1005 A 91 TRP H A 90 LYS HGx 1.0 . 5.50 1153 1006 A 90 LYS HA A 90 LYS HGx 1.0 . 4.21 1154 1007 A 12 LEU HG A 33 PHE HBx 1.0 . 4.87 1155 1008 A 75 CYS H A 75 CYS HBx 1.0 . 3.34 1156 1009 A 90 LYS H A 90 LYS HGy 1.0 . 5.16 1157 1010 A 90 LYS HGy A 90 LYS HE2 1.0 . 4.16 1158 1010 A 90 LYS HE3 A 90 LYS HGy 1.0 . 4.16 1159 1011 A 18 VAL HGx% A 103 LYS HGy 1.0 . 4.53 1160 1012 A 103 LYS HGx A 21 PRO HDx 1.0 . 4.63 1161 1013 A 18 VAL HGx% A 103 LYS HGx 1.0 . 4.36 1162 1014 A 15 LYS HGy A 15 LYS HB2 1.0 . 2.77 1163 1014 A 15 LYS HB3 A 15 LYS HGy 1.0 . 2.77 1164 1015 A 27 PHE HBx A 23 LEU HDx% 1.0 . 3.50 1165 1016 A 90 LYS HBy A 82 LEU HDy% 1.0 . 3.03 1166 1017 A 84 LEU H A 83 LYS HGy 1.0 . 5.18 1167 1018 A 84 LEU H A 83 LYS HGx 1.0 . 5.01 1168 1019 A 67 LYS HGy A 78 GLN HA 1.0 . 4.53 1169 1020 A 23 LEU H A 23 LEU HDx% 1.0 . 4.61 1170 1021 A 82 LEU HDy% A 82 LEU HA 1.0 . 5.50 1171 1022 A 78 GLN HA A 67 LYS HGx 1.0 . 5.12 1172 1023 A 92 GLU HGy A 82 LEU HDy% 1.0 . 5.19 1173 1024 A 82 LEU HDy% A 92 GLU H 1.0 . 5.11 1174 1025 A 82 LEU HDy% A 92 GLU HB2 1.0 . 3.00 1175 1025 A 92 GLU HB3 A 82 LEU HDy% 1.0 . 3.00 1176 1026 A 82 LEU HDy% A 82 LEU HBx 1.0 . 3.40 1177 1027 A 65 LEU HDx% A 65 LEU HA 1.0 . 3.91 1178 1028 A 78 GLN HA A 65 LEU HDx% 1.0 . 4.86 1179 1029 A 65 LEU HBy A 65 LEU HDx% 1.0 . 3.46 1180 1030 A 66 ILE HG2% A 65 LEU HDx% 1.0 . 4.79 1181 1031 A 67 LYS HGy A 65 LEU HDx% 1.0 . 3.96 1182 1032 A 66 ILE H A 67 LYS HGx 1.0 . 5.38 1183 1033 A 58 ILE H A 68 LEU HDy% 1.0 . 5.01 1184 1034 A 68 LEU HDx% A 66 ILE HG1y 1.0 . 5.46 1185 1035 A 68 LEU HDy% A 39 TYR HD% 1.0 . 3.43 1186 1036 A 68 LEU HDy% A 68 LEU HA 1.0 . 3.54 1187 1037 A 68 LEU HDy% A 57 TYR HBx 1.0 . 3.21 1188 1038 A 68 LEU HDy% A 68 LEU HBx 1.0 . 3.21 1189 1039 A 76 THR HG2% A 68 LEU HDy% 1.0 . 5.41 1190 1040 A 47 LEU HBx A 47 LEU HDx% 1.0 . 2.62 1191 1041 A 47 LEU HDx% A 47 LEU HA 1.0 . 4.20 1192 1042 A 68 LEU H A 68 LEU HDx% 1.0 . 3.91 1193 1043 A 68 LEU HDx% A 31 TYR HE% 1.0 . 3.36 1194 1044 A 78 GLN HA A 68 LEU HDx% 1.0 . 3.87 1195 1045 A 68 LEU HDx% A 57 TYR HBy 1.0 . 4.53 1196 1046 A 68 LEU HDx% A 68 LEU HBx 1.0 . 3.01 1197 1047 A 68 LEU HDx% A 66 ILE HD1% 1.0 . 3.86 1198 1048 A 68 LEU HDy% A 56 THR H 1.0 . 5.50 1199 1049 A 68 LEU HDy% A 57 TYR HA 1.0 . 4.23 1200 1050 A 87 LYS H A 87 LYS HGx 1.0 . 4.42 1201 1051 A 97 LYS HDx A 97 LYS HG2 1.0 . 2.45 1202 1051 A 97 LYS HG3 A 97 LYS HDx 1.0 . 2.45 1203 1052 A 108 TYR H A 107 LYS HG2 1.0 . 3.85 1204 1052 A 108 TYR H A 107 LYS HG3 1.0 . 3.85 1205 1053 A 107 LYS H A 107 LYS HG2 1.0 . 5.03 1206 1053 A 107 LYS H A 107 LYS HG3 1.0 . 5.03 1207 1054 A 18 VAL HA A 105 LEU HD1% 1.0 . 4.93 1208 1055 A 105 LEU HD1% A 89 MET HBx 1.0 . 3.84 1209 1056 A 71 LYS H A 71 LYS HGy 1.0 . 4.69 1210 1057 A 6 LYS H A 6 LYS HGy 1.0 . 4.64 1211 1058 A 6 LYS HGy A 6 LYS HA 1.0 . 3.90 1212 1059 A 7 VAL H A 6 LYS HGy 1.0 . 5.50 1213 1060 A 6 LYS HGy A 6 LYS HE2 1.0 . 4.20 1214 1060 A 6 LYS HGy A 6 LYS HE3 1.0 . 4.20 1215 1061 A 6 LYS H A 6 LYS HGx 1.0 . 4.38 1216 1062 A 6 LYS HA A 6 LYS HGx 1.0 . 3.87 1217 1063 A 6 LYS HGx A 6 LYS HE2 1.0 . 4.13 1218 1063 A 6 LYS HE3 A 6 LYS HGx 1.0 . 4.13 1219 1064 A 105 LEU HD1% A 91 TRP HD1 1.0 . 5.50 1220 1065 A 105 LEU HD1% A 105 LEU H 1.0 . 3.23 1221 1066 A 105 LEU HD1% A 91 TRP H 1.0 . 4.37 1222 1067 A 105 LEU HD1% A 89 MET H 1.0 . 5.19 1223 1068 A 105 LEU HD1% A 16 TRP HE3 1.0 . 5.50 1224 1069 A 105 LEU HD1% A 105 LEU HA 1.0 . 3.68 1225 1070 A 105 LEU HD1% A 103 LYS HGy 1.0 . 3.65 1226 1071 A 105 LEU HD1% A 104 ARG H 1.0 . 4.26 1227 1072 A 105 LEU HD1% A 104 ARG HA 1.0 . 3.55 1228 1073 A 105 LEU HD1% A 91 TRP HBy 1.0 . 4.33 1229 1073 A 105 LEU HD1% A 91 TRP HBx 1.0 . 4.33 1230 1074 A 105 LEU HD1% A 89 MET HGy 1.0 . 4.83 1231 1075 A 61 LEU HA A 61 LEU HDx% 1.0 . 4.00 1232 1076 A 61 LEU H A 61 LEU HDx% 1.0 . 4.57 1233 1077 A 84 LEU HA A 84 LEU HDy% 1.0 . 3.44 1234 1078 A 85 THR H A 84 LEU HDy% 1.0 . 3.63 1235 1079 A 84 LEU HDy% A 11 GLN HBy 1.0 . 4.23 1236 1080 A 84 LEU HDy% A 11 GLN HBx 1.0 . 4.14 1237 1081 A 76 THR HG2% A 77 GLU HG2 1.0 . 5.50 1238 1081 A 76 THR HG2% A 77 GLU HG3 1.0 . 5.50 1239 1082 A 61 LEU HDy% A 61 LEU HA 1.0 . 3.22 1240 1083 A 102 ASP H A 101 SER HBx 1.0 . 3.92 1241 1084 A 19 LYS H A 19 LYS HGx 1.0 . 4.68 1242 1085 A 76 THR HG2% A 76 THR H 1.0 . 3.52 1243 1086 A 76 THR HG2% A 70 ASP H 1.0 . 3.88 1244 1087 A 76 THR HG2% A 53 PHE HD% 1.0 . 5.08 1245 1088 A 76 THR HG2% A 70 ASP HA 1.0 . 4.74 1246 1089 A 76 THR HG2% A 70 ASP HBy 1.0 . 4.09 1247 1090 A 65 LEU HDy% A 66 ILE H 1.0 . 4.56 1248 1091 A 65 LEU HDy% A 65 LEU HA 1.0 . 3.67 1249 1092 A 78 GLN HA A 65 LEU HDy% 1.0 . 5.39 1250 1093 A 65 LEU HDy% A 67 LYS HE2 1.0 . 5.50 1251 1093 A 65 LEU HDy% A 67 LYS HE3 1.0 . 5.50 1252 1094 A 96 PRO HA A 93 ASN HBy 1.0 . 5.50 1253 1095 A 93 ASN HBx A 96 PRO HA 1.0 . 5.13 1254 1096 A 14 GLY H A 13 VAL HA 1.0 . 3.41 1255 1097 A 19 LYS HGy A 22 VAL HGy% 1.0 . 4.84 1256 1098 A 20 GLU HBy A 19 LYS HGx 1.0 . 5.09 1257 1099 A 76 THR HG2% A 69 TYR HA 1.0 . 4.07 1258 1100 A 76 THR HG2% A 69 TYR HBx 1.0 . 5.32 1259 1101 A 96 PRO HA A 93 ASN HD2y 1.0 . 5.26 1260 1102 A 47 LEU H A 45 SER HBy 1.0 . 4.67 1261 1103 A 48 SER HBx A 49 ASN HBx 1.0 . 5.19 1262 1104 A 18 VAL HGx% A 103 LYS H 1.0 . 5.50 1263 1105 A 19 LYS H A 18 VAL HGx% 1.0 . 4.20 1264 1106 A 18 VAL HA A 18 VAL HGy% 1.0 . 3.54 1265 1107 A 30 CYS H A 29 THR HG2% 1.0 . 3.57 1266 1108 A 29 THR HG2% A 43 THR H 1.0 . 5.50 1267 1109 A 29 THR HG2% A 29 THR HA 1.0 . 3.33 1268 1110 A 29 THR HG2% A 41 VAL HGy% 1.0 . 3.29 1269 1111 A 48 SER H A 48 SER HBy 1.0 . 3.96 1270 1112 A 47 LEU H A 45 SER HBx 1.0 . 5.43 1271 1113 A 48 SER H A 48 SER HBx 1.0 . 3.78 1272 1114 A 12 LEU HDy% A 12 LEU H 1.0 . 4.67 1273 1115 A 12 LEU HDy% A 12 LEU HA 1.0 . 3.26 1274 1116 A 84 LEU HDx% A 12 LEU HDy% 1.0 . 3.83 1275 1117 A 12 LEU HDy% A 66 ILE HD1% 1.0 . 3.15 1276 1118 A 16 TRP HE1 A 12 LEU HDy% 1.0 . 4.34 1277 1119 A 12 LEU HDy% A 91 TRP HH2 1.0 . 4.12 1278 1120 A 12 LEU HDy% A 12 LEU HBy 1.0 . 3.77 1279 1121 A 12 LEU HDy% A 12 LEU HBx 1.0 . 3.41 1280 1122 A 12 LEU HDy% A 84 LEU HDy% 1.0 . 3.99 1281 1123 A 47 LEU HDy% A 47 LEU HA 1.0 . 2.85 1282 1124 A 13 VAL HGy% A 13 VAL H 1.0 . 2.93 1283 1125 A 13 VAL HGy% A 13 VAL HA 1.0 . 3.08 1284 1126 A 13 VAL HGy% A 12 LEU HDx% 1.0 . 4.93 1285 1127 A 82 LEU H A 82 LEU HDx% 1.0 . 4.08 1286 1128 A 82 LEU HDx% A 82 LEU HA 1.0 . 2.88 1287 1129 A 82 LEU HDx% A 92 GLU HB2 1.0 . 3.37 1288 1129 A 92 GLU HB3 A 82 LEU HDx% 1.0 . 3.37 1289 1130 A 82 LEU HDx% A 82 LEU HBx 1.0 . 3.62 1290 1131 A 82 LEU HDx% A 80 HIS HBy 1.0 . 4.10 1291 1132 A 80 HIS HBx A 82 LEU HDx% 1.0 . 4.37 1292 1133 A 84 LEU H A 85 THR HG2% 1.0 . 4.09 1293 1134 A 85 THR HG2% A 85 THR H 1.0 . 3.50 1294 1135 A 85 THR HG2% A 86 SER H 1.0 . 4.03 1295 1136 A 85 THR HG2% A 88 GLU H 1.0 . 4.27 1296 1137 A 85 THR HG2% A 83 LYS HEy 1.0 . 3.48 1297 1138 A 85 THR HG2% A 83 LYS HEx 1.0 . 3.61 1298 1139 A 85 THR HG2% A 88 GLU HBy 1.0 . 3.92 1299 1140 A 85 THR HG2% A 84 LEU HDy% 1.0 . 4.21 1300 1141 A 38 THR HG2% A 37 LYS HGx 1.0 . 2.40 1301 1142 A 13 VAL HGy% A 10 PRO HA 1.0 . 4.50 1302 1143 A 13 VAL HGy% A 35 ALA HA 1.0 . 3.12 1303 1144 A 13 VAL HGy% A 35 ALA HB% 1.0 . 3.58 1304 1145 A 23 LEU HDy% A 23 LEU HA 1.0 . 2.76 1305 1146 A 60 SER HBy A 61 LEU HB2 1.0 . 5.12 1306 1146 A 61 LEU HB3 A 60 SER HBy 1.0 . 5.12 1307 1147 A 60 SER H A 60 SER HBy 1.0 . 3.78 1308 1148 A 86 SER HBy A 87 LYS HGy 1.0 . 3.86 1309 1149 A 86 SER H A 86 SER HBy 1.0 . 3.80 1310 1150 A 65 LEU H A 60 SER HBy 1.0 . 4.44 1311 1151 A 86 SER HBx A 11 GLN HGx 1.0 . 5.29 1312 1152 A 57 TYR H A 56 THR HG2% 1.0 . 3.83 1313 1153 A 56 THR HA A 56 THR HG2% 1.0 . 3.06 1314 1154 A 38 THR HG2% A 37 LYS HDx 1.0 . 3.43 1315 1155 A 23 LEU H A 23 LEU HDy% 1.0 . 4.02 1316 1156 A 23 LEU HDy% A 24 GLN H 1.0 . 3.97 1317 1157 A 86 SER HBx A 11 GLN HE2x 1.0 . 5.50 1318 1158 A 87 LYS HGy A 86 SER HBx 1.0 . 5.50 1319 1159 A 78 GLN HE2y A 95 SER HBy 1.0 . 4.64 1320 1160 A 95 SER HBx A 96 PRO HDx 1.0 . 4.56 1321 1161 A 95 SER HBx A 78 GLN HE2x 1.0 . 4.94 1322 1162 A 95 SER HBx A 98 ASP HBx 1.0 . 5.19 1323 1163 A 95 SER HBx A 78 GLN HGy 1.0 . 4.92 1324 1164 A 95 SER HBx A 78 GLN HE2y 1.0 . 4.61 1325 1165 A 38 THR HG2% A 37 LYS H 1.0 . 4.90 1326 1166 A 38 THR HG2% A 37 LYS HBy 1.0 . 5.26 1327 1167 A 38 THR H A 38 THR HG2% 1.0 . 3.54 1328 1168 A 38 THR HG2% A 38 THR HA 1.0 . 3.17 1329 1169 A 38 THR HG2% A 37 LYS HBx 1.0 . 5.33 1330 1170 A 98 ASP HBx A 95 SER HBy 1.0 . 5.25 1331 1171 A 38 THR HG2% A 37 LYS HA 1.0 . 5.16 1332 1172 A 53 PHE H A 52 PRO HA 1.0 . 2.90 1333 1173 A 42 TYR HBx A 52 PRO HA 1.0 . 4.29 1334 1174 A 28 VAL HA A 28 VAL HGy% 1.0 . 3.21 1335 1175 A 22 VAL H A 21 PRO HA 1.0 . 2.79 1336 1176 A 20 GLU HGy A 21 PRO HA 1.0 . 4.46 1337 1177 A 76 THR HG2% A 76 THR HA 1.0 . 3.29 1338 1178 A 27 PHE HA A 43 THR HG2% 1.0 . 4.90 1339 1179 A 29 THR H A 28 VAL HGy% 1.0 . 3.66 1340 1180 A 84 LEU HBy A 7 VAL HA 1.0 . 3.27 1341 1181 A 7 VAL HA A 7 VAL HGy% 1.0 . 3.16 1342 1181 A 7 VAL HA A 7 VAL HGx% 1.0 . 3.16 1343 1182 A 84 LEU H A 7 VAL HA 1.0 . 3.21 1344 1183 A 8 GLU H A 7 VAL HA 1.0 . 2.92 1345 1184 A 32 THR HG2% A 16 TRP HBx 1.0 . 5.50 1346 1184 A 32 THR HG2% A 16 TRP HBy 1.0 . 5.50 1347 1185 A 28 VAL H A 43 THR HG2% 1.0 . 4.19 1348 1186 A 44 GLY H A 43 THR HG2% 1.0 . 3.55 1349 1187 A 27 PHE HBy A 43 THR HG2% 1.0 . 4.18 1350 1188 A 43 THR H A 43 THR HG2% 1.0 . 4.38 1351 1189 A 43 THR HA A 43 THR HG2% 1.0 . 3.43 1352 1190 A 44 GLY HAy A 43 THR HG2% 1.0 . 4.31 1353 1191 A 27 PHE HBx A 43 THR HG2% 1.0 . 3.54 1354 1192 A 83 LYS H A 7 VAL HGy% 1.0 . 5.47 1355 1192 A 83 LYS H A 7 VAL HGx% 1.0 . 5.47 1356 1193 A 84 LEU H A 7 VAL HGy% 1.0 . 3.85 1357 1193 A 84 LEU H A 7 VAL HGx% 1.0 . 3.85 1358 1194 A 23 LEU HG A 22 VAL HA 1.0 . 4.21 1359 1195 A 23 LEU H A 22 VAL HA 1.0 . 2.58 1360 1196 A 13 VAL HGx% A 13 VAL H 1.0 . 4.13 1361 1197 A 13 VAL HA A 13 VAL HGx% 1.0 . 3.19 1362 1198 A 13 VAL HGx% A 12 LEU HDx% 1.0 . 5.32 1363 1199 A 32 THR HG2% A 32 THR HA 1.0 . 3.10 1364 1200 A 32 THR HG2% A 15 LYS HB2 1.0 . 4.53 1365 1200 A 15 LYS HB3 A 32 THR HG2% 1.0 . 4.53 1366 1201 A 22 VAL H A 22 VAL HGy% 1.0 . 3.10 1367 1202 A 21 PRO HA A 22 VAL HGy% 1.0 . 3.95 1368 1203 A 20 GLU HA A 22 VAL HGy% 1.0 . 3.82 1369 1204 A 19 LYS HBy A 22 VAL HGy% 1.0 . 5.21 1370 1205 A 23 LEU H A 22 VAL HGy% 1.0 . 3.89 1371 1206 A 20 GLU HGy A 22 VAL HGy% 1.0 . 4.20 1372 1207 A 23 LEU H A 22 VAL HGx% 1.0 . 3.48 1373 1208 A 22 VAL H A 22 VAL HGx% 1.0 . 4.12 1374 1209 A 22 VAL HA A 22 VAL HGx% 1.0 . 3.05 1375 1210 A 7 VAL H A 7 VAL HGy% 1.0 . 3.58 1376 1210 A 7 VAL H A 7 VAL HGx% 1.0 . 3.58 1377 1211 A 8 GLU H A 7 VAL HGy% 1.0 . 4.75 1378 1211 A 8 GLU H A 7 VAL HGx% 1.0 . 4.75 1379 1212 A 84 LEU HBx A 7 VAL HGy% 1.0 . 3.62 1380 1212 A 84 LEU HBx A 7 VAL HGx% 1.0 . 3.62 1381 1213 A 35 ALA H A 13 VAL HGx% 1.0 . 4.06 1382 1214 A 32 THR HG2% A 32 THR H 1.0 . 4.31 1383 1215 A 33 PHE H A 32 THR HG2% 1.0 . 3.41 1384 1216 A 32 THR HG2% A 34 ASN HD2x 1.0 . 4.73 1385 1217 A 30 CYS H A 29 THR HA 1.0 . 2.85 1386 1218 A 33 PHE HD% A 32 THR HA 1.0 . 4.98 1387 1219 A 16 TRP H A 32 THR HA 1.0 . 4.67 1388 1220 A 52 PRO HDx A 51 VAL HG1% 1.0 . 3.47 1389 1220 A 51 VAL HG2% A 52 PRO HDx 1.0 . 3.47 1390 1221 A 29 THR H A 28 VAL HGx% 1.0 . 4.72 1391 1222 A 28 VAL H A 28 VAL HGx% 1.0 . 3.56 1392 1223 A 28 VAL HGx% A 28 VAL HA 1.0 . 3.34 1393 1224 A 41 VAL HGy% A 39 TYR HE% 1.0 . 4.32 1394 1225 A 42 TYR HBx A 41 VAL HGy% 1.0 . 5.06 1395 1226 A 41 VAL HGy% A 41 VAL H 1.0 . 4.64 1396 1227 A 42 TYR H A 41 VAL HGy% 1.0 . 3.42 1397 1228 A 32 THR HA A 15 LYS HB2 1.0 . 4.67 1398 1228 A 15 LYS HB3 A 32 THR HA 1.0 . 4.67 1399 1229 A 33 PHE H A 32 THR HA 1.0 . 2.93 1400 1230 A 81 ILE HA A 82 LEU HG 1.0 . 4.27 1401 1231 A 82 LEU H A 81 ILE HA 1.0 . 2.98 1402 1232 A 81 ILE HA A 83 LYS H 1.0 . 4.47 1403 1233 A 81 ILE HA A 91 TRP HZ3 1.0 . 5.21 1404 1234 A 51 VAL H A 51 VAL HG1% 1.0 . 3.06 1405 1234 A 51 VAL H A 51 VAL HG2% 1.0 . 3.06 1406 1235 A 51 VAL HA A 51 VAL HG1% 1.0 . 2.79 1407 1235 A 51 VAL HA A 51 VAL HG2% 1.0 . 2.79 1408 1236 A 30 CYS H A 41 VAL HGy% 1.0 . 4.40 1409 1237 A 41 VAL HGy% A 41 VAL HA 1.0 . 3.12 1410 1238 A 53 PHE H A 41 VAL HGx% 1.0 . 4.56 1411 1239 A 41 VAL HGx% A 53 PHE HBy 1.0 . 3.28 1412 1240 A 57 TYR H A 38 THR HA 1.0 . 4.03 1413 1241 A 39 TYR H A 38 THR HA 1.0 . 2.98 1414 1242 A 56 THR HG2% A 38 THR HA 1.0 . 3.17 1415 1243 A 38 THR HA A 55 GLY H 1.0 . 4.77 1416 1244 A 29 THR HB A 28 VAL HA 1.0 . 4.58 1417 1245 A 41 VAL HGx% A 41 VAL H 1.0 . 3.27 1418 1246 A 84 LEU H A 81 ILE HG2% 1.0 . 5.07 1419 1247 A 81 ILE H A 81 ILE HG2% 1.0 . 4.41 1420 1248 A 82 LEU H A 81 ILE HG2% 1.0 . 3.95 1421 1249 A 83 LYS H A 81 ILE HG2% 1.0 . 3.30 1422 1250 A 81 ILE HA A 81 ILE HG2% 1.0 . 3.15 1423 1251 A 43 THR HA A 44 GLY H 1.0 . 2.87 1424 1252 A 29 THR H A 28 VAL HA 1.0 . 2.72 1425 1253 A 43 THR HA A 44 GLY HAx 1.0 . 5.11 1426 1254 A 84 LEU HDy% A 86 SER HA 1.0 . 5.14 1427 1255 A 56 THR HA A 57 TYR H 1.0 . 3.01 1428 1256 A 56 THR HA A 57 TYR HD% 1.0 . 4.51 1429 1257 A 39 TYR HD% A 56 THR HA 1.0 . 3.99 1430 1258 A 56 THR HA A 38 THR HA 1.0 . 2.88 1431 1259 A 87 LYS HA A 86 SER HA 1.0 . 5.12 1432 1260 A 38 THR H A 56 THR HA 1.0 . 5.05 1433 1261 A 86 SER HBy A 86 SER HA 1.0 . 2.93 1434 1262 A 86 SER HBx A 86 SER HA 1.0 . 3.01 1435 1263 A 86 SER HA A 11 GLN HGy 1.0 . 3.24 1436 1264 A 58 ILE HG1y A 58 ILE HA 1.0 . 4.06 1437 1265 A 59 ILE H A 58 ILE HA 1.0 . 2.64 1438 1266 A 94 ALA H A 94 ALA HB% 1.0 . 3.47 1439 1267 A 94 ALA HB% A 78 GLN HBx 1.0 . 4.59 1440 1268 A 94 ALA HB% A 78 GLN HGx 1.0 . 4.08 1441 1269 A 32 THR H A 41 VAL HA 1.0 . 4.54 1442 1270 A 42 TYR H A 41 VAL HA 1.0 . 2.81 1443 1271 A 41 VAL HGx% A 41 VAL HA 1.0 . 4.04 1444 1272 A 51 VAL HA A 52 PRO HDx 1.0 . 2.91 1445 1273 A 94 ALA HB% A 79 TYR HA 1.0 . 4.80 1446 1274 A 36 ASP H A 35 ALA HB% 1.0 . 3.72 1447 1275 A 35 ALA H A 35 ALA HB% 1.0 . 3.21 1448 1276 A 13 VAL HGx% A 35 ALA HB% 1.0 . 3.41 1449 1277 A 37 LYS HGx A 37 LYS HA 1.0 . 3.66 1450 1278 A 37 LYS HDy A 37 LYS HA 1.0 . 4.13 1451 1279 A 37 LYS HGy A 37 LYS HA 1.0 . 4.02 1452 1280 A 86 SER H A 85 THR HA 1.0 . 3.23 1453 1281 A 18 VAL H A 17 ILE HA 1.0 . 2.82 1454 1282 A 17 ILE HA A 30 CYS HA 1.0 . 3.12 1455 1283 A 17 ILE HA A 16 TRP HBx 1.0 . 5.06 1456 1283 A 17 ILE HA A 16 TRP HBy 1.0 . 5.06 1457 1284 A 9 ILE H A 9 ILE HG2% 1.0 . 4.46 1458 1285 A 9 ILE HA A 9 ILE HG2% 1.0 . 3.20 1459 1286 A 85 THR HG2% A 85 THR HA 1.0 . 3.26 1460 1287 A 58 ILE HG2% A 59 ILE H 1.0 . 3.54 1461 1288 A 58 ILE HG2% A 58 ILE HA 1.0 . 3.26 1462 1289 A 67 LYS H A 66 ILE HA 1.0 . 3.00 1463 1290 A 66 ILE HA A 66 ILE HG1y 1.0 . 3.64 1464 1291 A 75 CYS HA A 77 GLU H 1.0 . 4.50 1465 1292 A 58 ILE HG2% A 58 ILE HG1x 1.0 . 2.93 1466 1293 A 17 ILE HG2% A 17 ILE HD1% 1.0 . 2.89 1467 1294 A 69 TYR HE% A 58 ILE HG2% 1.0 . 4.16 1468 1295 A 60 SER H A 59 ILE HA 1.0 . 2.91 1469 1296 A 59 ILE HG2% A 59 ILE HA 1.0 . 3.64 1470 1297 A 17 ILE HG2% A 17 ILE HG1y 1.0 . 3.15 1471 1298 A 33 PHE HA A 39 TYR HB2 1.0 . 4.34 1472 1298 A 39 TYR HB3 A 33 PHE HA 1.0 . 4.34 1473 1299 A 34 ASN HD2y A 33 PHE HA 1.0 . 5.00 1474 1300 A 33 PHE HA A 32 THR HA 1.0 . 4.61 1475 1301 A 71 LYS HA A 71 LYS HB2 1.0 . 2.66 1476 1301 A 71 LYS HB3 A 71 LYS HA 1.0 . 2.66 1477 1302 A 84 LEU HDx% A 12 LEU HA 1.0 . 4.01 1478 1303 A 16 TRP HE1 A 12 LEU HA 1.0 . 3.75 1479 1304 A 12 LEU HG A 12 LEU HA 1.0 . 3.79 1480 1305 A 84 LEU HDy% A 12 LEU HA 1.0 . 3.67 1481 1306 A 17 ILE HG2% A 17 ILE H 1.0 . 3.51 1482 1307 A 18 VAL H A 17 ILE HG2% 1.0 . 3.65 1483 1308 A 17 ILE HG2% A 17 ILE HA 1.0 . 3.39 1484 1309 A 17 ILE HG2% A 106 GLU HBy 1.0 . 4.83 1485 1310 A 34 ASN H A 33 PHE HA 1.0 . 2.89 1486 1311 A 28 VAL H A 27 PHE HA 1.0 . 2.58 1487 1312 A 74 HIS H A 73 GLU HA 1.0 . 3.52 1488 1313 A 73 GLU H A 73 GLU HA 1.0 . 2.81 1489 1314 A 69 TYR HBx A 73 GLU HA 1.0 . 3.63 1490 1315 A 73 GLU HBx A 73 GLU HA 1.0 . 2.92 1491 1316 A 73 GLU HA A 73 GLU HG2 1.0 . 3.25 1492 1316 A 73 GLU HG3 A 73 GLU HA 1.0 . 3.25 1493 1317 A 48 SER HA A 48 SER HBx 1.0 . 2.84 1494 1318 A 54 ARG H A 53 PHE HA 1.0 . 2.79 1495 1319 A 102 ASP H A 101 SER HA 1.0 . 2.63 1496 1320 A 101 SER HBy A 101 SER HA 1.0 . 2.84 1497 1321 A 100 ASN HBx A 101 SER HA 1.0 . 5.47 1498 1322 A 102 ASP HBx A 101 SER HA 1.0 . 5.35 1499 1323 A 17 ILE HG2% A 108 TYR HA 1.0 . 5.50 1500 1324 A 59 ILE HG2% A 65 LEU H 1.0 . 5.07 1501 1325 A 99 GLY H A 97 LYS HA 1.0 . 4.67 1502 1326 A 41 VAL HB A 31 TYR HA 1.0 . 4.59 1503 1327 A 41 VAL H A 31 TYR HA 1.0 . 5.30 1504 1328 A 109 ASN H A 108 TYR HA 1.0 . 2.78 1505 1329 A 97 LYS HA A 97 LYS HG2 1.0 . 3.31 1506 1329 A 97 LYS HG3 A 97 LYS HA 1.0 . 3.31 1507 1330 A 41 VAL HGy% A 31 TYR HA 1.0 . 4.60 1508 1331 A 42 TYR H A 31 TYR HA 1.0 . 5.26 1509 1332 A 76 THR H A 69 TYR HA 1.0 . 3.49 1510 1333 A 70 ASP H A 69 TYR HA 1.0 . 2.96 1511 1334 A 75 CYS HA A 69 TYR HA 1.0 . 3.22 1512 1335 A 62 ASP HA A 61 LEU HB2 1.0 . 5.26 1513 1335 A 62 ASP HA A 61 LEU HB3 1.0 . 5.26 1514 1336 A 4 ASP H A 3 GLU HA 1.0 . 3.15 1515 1337 A 3 GLU HA A 3 GLU HGy 1.0 . 3.49 1516 1337 A 3 GLU HA A 3 GLU HGx 1.0 . 3.49 1517 1338 A 87 LYS HA A 107 LYS HA 1.0 . 4.28 1518 1339 A 75 CYS HBx A 69 TYR HA 1.0 . 5.17 1519 1340 A 43 THR H A 42 TYR HA 1.0 . 2.95 1520 1341 A 107 LYS HA A 16 TRP HBx 1.0 . 5.37 1521 1341 A 107 LYS HA A 16 TRP HBy 1.0 . 5.37 1522 1342 A 108 TYR H A 107 LYS HA 1.0 . 2.76 1523 1343 A 107 LYS HA A 16 TRP HA 1.0 . 3.14 1524 1344 A 107 LYS HEy A 107 LYS HA 1.0 . 4.62 1525 1345 A 17 ILE HG2% A 107 LYS HA 1.0 . 4.65 1526 1346 A 107 LYS HA A 107 LYS HG2 1.0 . 3.15 1527 1346 A 107 LYS HA A 107 LYS HG3 1.0 . 3.15 1528 1347 A 107 LYS HA A 17 ILE H 1.0 . 4.09 1529 1348 A 16 TRP HZ3 A 107 LYS HA 1.0 . 5.50 1530 1349 A 17 ILE HD1% A 30 CYS HA 1.0 . 4.84 1531 1350 A 31 TYR H A 30 CYS HA 1.0 . 2.83 1532 1351 A 18 VAL H A 30 CYS HA 1.0 . 3.89 1533 1352 A 31 TYR HD% A 30 CYS HA 1.0 . 4.78 1534 1353 A 31 TYR HA A 30 CYS HA 1.0 . 4.65 1535 1354 A 80 HIS H A 79 TYR HA 1.0 . 3.02 1536 1355 A 7 VAL H A 6 LYS HA 1.0 . 2.50 1537 1356 A 6 LYS HA A 6 LYS HB2 1.0 . 2.81 1538 1356 A 6 LYS HB3 A 6 LYS HA 1.0 . 2.81 1539 1357 A 17 ILE HB A 30 CYS HA 1.0 . 5.05 1540 1358 A 16 TRP H A 30 CYS HA 1.0 . 4.83 1541 1359 A 33 PHE H A 15 LYS HA 1.0 . 4.89 1542 1360 A 66 ILE HG2% A 91 TRP HE1 1.0 . 5.18 1543 1361 A 57 TYR HA A 66 ILE HD1% 1.0 . 5.50 1544 1362 A 34 ASN H A 39 TYR HA 1.0 . 3.89 1545 1363 A 39 TYR HA A 40 GLU HA 1.0 . 5.35 1546 1364 A 39 TYR HA A 40 GLU HG2 1.0 . 4.85 1547 1364 A 40 GLU HG3 A 39 TYR HA 1.0 . 4.85 1548 1365 A 39 TYR HA A 40 GLU H 1.0 . 2.94 1549 1366 A 39 TYR HD% A 39 TYR HA 1.0 . 3.84 1550 1367 A 39 TYR HA A 33 PHE HA 1.0 . 3.51 1551 1368 A 39 TYR HA A 39 TYR HB2 1.0 . 2.90 1552 1368 A 39 TYR HB3 A 39 TYR HA 1.0 . 2.90 1553 1369 A 32 THR HG2% A 39 TYR HA 1.0 . 5.31 1554 1370 A 89 MET HBx A 88 GLU HA 1.0 . 5.40 1555 1371 A 16 TRP H A 15 LYS HA 1.0 . 2.91 1556 1372 A 32 THR HG2% A 15 LYS HA 1.0 . 4.19 1557 1373 A 17 ILE H A 16 TRP HA 1.0 . 2.88 1558 1374 A 108 TYR H A 16 TRP HA 1.0 . 3.78 1559 1375 A 108 TYR HBy A 16 TRP HA 1.0 . 4.95 1560 1376 A 104 ARG HA A 104 ARG HGx 1.0 . 3.61 1561 1377 A 93 ASN H A 102 ASP HA 1.0 . 3.97 1562 1378 A 24 GLN HBy A 24 GLN HA 1.0 . 2.72 1563 1379 A 11 GLN HBy A 11 GLN HA 1.0 . 2.89 1564 1380 A 25 ASP H A 25 ASP HA 1.0 . 2.71 1565 1381 A 25 ASP HA A 25 ASP HBy 1.0 . 2.96 1566 1382 A 11 GLN HBx A 11 GLN HA 1.0 . 2.97 1567 1383 A 110 ASP HBy A 110 ASP HA 1.0 . 2.99 1568 1384 A 84 LEU H A 83 LYS HA 1.0 . 2.90 1569 1385 A 83 LYS HGy A 83 LYS HA 1.0 . 3.39 1570 1386 A 66 ILE HG2% A 66 ILE H 1.0 . 3.18 1571 1387 A 66 ILE HG2% A 79 TYR H 1.0 . 3.61 1572 1388 A 66 ILE HG2% A 66 ILE HA 1.0 . 4.04 1573 1389 A 66 ILE HG2% A 79 TYR HBy 1.0 . 4.09 1574 1390 A 66 ILE HG2% A 59 ILE HD1% 1.0 . 4.60 1575 1391 A 66 ILE HG2% A 81 ILE HD1% 1.0 . 3.31 1576 1392 A 66 ILE HG2% A 65 LEU HA 1.0 . 4.58 1577 1393 A 66 ILE HG2% A 81 ILE HG1y 1.0 . 4.02 1578 1394 A 58 ILE H A 66 ILE HD1% 1.0 . 5.50 1579 1395 A 58 ILE HB A 57 TYR HA 1.0 . 5.24 1580 1396 A 69 TYR HD% A 57 TYR HA 1.0 . 3.62 1581 1397 A 68 LEU HA A 57 TYR HA 1.0 . 3.54 1582 1398 A 69 TYR H A 57 TYR HA 1.0 . 4.01 1583 1399 A 58 ILE H A 57 TYR HA 1.0 . 2.90 1584 1400 A 57 TYR HBx A 57 TYR HA 1.0 . 2.93 1585 1401 A 58 ILE HG1y A 57 TYR HA 1.0 . 4.73 1586 1402 A 39 TYR HA A 55 GLY H 1.0 . 5.38 1587 1403 A 34 ASN HD2y A 39 TYR HA 1.0 . 5.04 1588 1404 A 89 MET H A 88 GLU HA 1.0 . 2.81 1589 1405 A 16 TRP HZ3 A 88 GLU HA 1.0 . 3.33 1590 1406 A 88 GLU HGy A 88 GLU HA 1.0 . 3.87 1591 1407 A 104 ARG H A 103 LYS HA 1.0 . 2.88 1592 1408 A 103 LYS HA A 21 PRO HDy 1.0 . 3.66 1593 1409 A 103 LYS HA A 21 PRO HGy 1.0 . 5.48 1594 1410 A 103 LYS HGx A 103 LYS HA 1.0 . 3.68 1595 1411 A 105 LEU H A 104 ARG HA 1.0 . 3.20 1596 1412 A 103 LYS HGx A 104 ARG HA 1.0 . 3.76 1597 1413 A 102 ASP HA A 103 LYS H 1.0 . 3.12 1598 1414 A 25 ASP H A 24 GLN HA 1.0 . 2.63 1599 1415 A 24 GLN HBx A 24 GLN HA 1.0 . 3.02 1600 1416 A 24 GLN HA A 24 GLN HG2 1.0 . 3.23 1601 1416 A 24 GLN HA A 24 GLN HG3 1.0 . 3.23 1602 1417 A 13 VAL HGy% A 11 GLN HA 1.0 . 5.50 1603 1418 A 11 GLN HA A 12 LEU HA 1.0 . 4.69 1604 1419 A 91 TRP HE1 A 66 ILE HD1% 1.0 . 5.01 1605 1420 A 67 LYS H A 66 ILE HD1% 1.0 . 5.40 1606 1421 A 66 ILE HB A 66 ILE HD1% 1.0 . 3.49 1607 1422 A 59 ILE HD1% A 66 ILE HD1% 1.0 . 3.95 1608 1423 A 66 ILE HG2% A 66 ILE HD1% 1.0 . 2.93 1609 1424 A 66 ILE HA A 66 ILE HD1% 1.0 . 4.31 1610 1425 A 57 TYR HBy A 66 ILE HD1% 1.0 . 4.16 1611 1426 A 21 PRO HDx A 103 LYS HA 1.0 . 4.05 1612 1427 A 61 LEU HDy% A 60 SER HA 1.0 . 3.94 1613 1428 A 2 ASP HA A 2 ASP HB2 1.0 . 2.94 1614 1428 A 2 ASP HA A 2 ASP HB3 1.0 . 2.94 1615 1429 A 78 GLN HA A 67 LYS HA 1.0 . 3.01 1616 1430 A 67 LYS HGy A 67 LYS HA 1.0 . 3.86 1617 1431 A 67 LYS HA A 67 LYS HGx 1.0 . 3.59 1618 1432 A 66 ILE HG2% A 67 LYS HA 1.0 . 5.02 1619 1433 A 93 ASN HA A 94 ALA HB% 1.0 . 5.50 1620 1434 A 82 LEU HA A 82 LEU HBy 1.0 . 2.98 1621 1435 A 105 LEU HA A 106 GLU H 1.0 . 2.99 1622 1436 A 18 VAL HA A 105 LEU HA 1.0 . 3.22 1623 1437 A 65 LEU HDx% A 80 HIS HA 1.0 . 4.43 1624 1438 A 81 ILE H A 80 HIS HA 1.0 . 3.07 1625 1439 A 79 TYR HBy A 80 HIS HA 1.0 . 5.08 1626 1440 A 65 LEU HDy% A 80 HIS HA 1.0 . 5.18 1627 1441 A 45 SER HA A 46 PRO HDy 1.0 . 3.40 1628 1442 A 4 ASP HA A 5 ASP H 1.0 . 2.84 1629 1443 A 4 ASP HA A 4 ASP HBy 1.0 . 2.92 1630 1444 A 67 LYS HA A 68 LEU HDx% 1.0 . 4.39 1631 1445 A 68 LEU H A 67 LYS HA 1.0 . 2.63 1632 1446 A 93 ASN HA A 95 SER H 1.0 . 4.02 1633 1447 A 26 ASP H A 26 ASP HA 1.0 . 2.72 1634 1448 A 26 ASP HA A 26 ASP HBx 1.0 . 2.85 1635 1448 A 26 ASP HBy A 26 ASP HA 1.0 . 2.85 1636 1449 A 94 ALA HB% A 80 HIS HA 1.0 . 4.94 1637 1450 A 93 ASN HA A 80 HIS H 1.0 . 4.53 1638 1451 A 69 TYR H A 68 LEU HA 1.0 . 3.07 1639 1452 A 13 VAL HGx% A 35 ALA HA 1.0 . 3.93 1640 1453 A 59 ILE HD1% A 59 ILE HA 1.0 . 4.08 1641 1454 A 59 ILE HD1% A 81 ILE HD1% 1.0 . 3.91 1642 1455 A 57 TYR HD% A 59 ILE HD1% 1.0 . 4.86 1643 1456 A 54 ARG HA A 55 GLY H 1.0 . 2.85 1644 1457 A 68 LEU HA A 57 TYR H 1.0 . 4.92 1645 1458 A 100 ASN HD2x A 77 GLU HA 1.0 . 3.95 1646 1459 A 78 GLN H A 77 GLU HA 1.0 . 2.89 1647 1460 A 100 ASN HD2y A 77 GLU HA 1.0 . 4.03 1648 1461 A 75 CYS H A 74 HIS HA 1.0 . 3.03 1649 1462 A 74 HIS HA A 74 HIS HBx 1.0 . 2.93 1650 1462 A 74 HIS HA A 74 HIS HBy 1.0 . 2.93 1651 1463 A 90 LYS HA A 91 TRP HE3 1.0 . 4.10 1652 1464 A 95 SER HA A 96 PRO HDy 1.0 . 2.82 1653 1465 A 95 SER HA A 96 PRO HDx 1.0 . 3.18 1654 1466 A 18 VAL HA A 19 LYS HA 1.0 . 4.64 1655 1467 A 98 ASP HBy A 98 ASP HA 1.0 . 2.88 1656 1468 A 98 ASP HBx A 98 ASP HA 1.0 . 2.91 1657 1469 A 107 LYS H A 106 GLU HA 1.0 . 2.85 1658 1470 A 16 TRP HZ3 A 106 GLU HA 1.0 . 3.99 1659 1471 A 106 GLU HGy A 106 GLU HA 1.0 . 3.57 1660 1472 A 106 GLU HGx A 106 GLU HA 1.0 . 3.82 1661 1473 A 107 LYS HBy A 106 GLU HA 1.0 . 5.19 1662 1474 A 107 LYS HBx A 106 GLU HA 1.0 . 4.91 1663 1475 A 8 GLU HA A 10 PRO HDx 1.0 . 4.19 1664 1476 A 19 LYS HBy A 19 LYS HA 1.0 . 2.98 1665 1477 A 23 LEU HBx A 23 LEU HA 1.0 . 2.77 1666 1478 A 91 TRP HE3 A 81 ILE HD1% 1.0 . 5.35 1667 1479 A 12 LEU HDy% A 81 ILE HD1% 1.0 . 4.42 1668 1480 A 107 LYS HDy A 106 GLU HA 1.0 . 5.50 1669 1481 A 41 VAL HGx% A 40 GLU HA 1.0 . 4.68 1670 1482 A 39 TYR HD% A 40 GLU HA 1.0 . 4.66 1671 1483 A 24 GLN H A 23 LEU HA 1.0 . 2.78 1672 1484 A 20 GLU HA A 21 PRO HA 1.0 . 2.84 1673 1485 A 58 ILE HA A 58 ILE HD1% 1.0 . 4.25 1674 1486 A 58 ILE HB A 58 ILE HD1% 1.0 . 3.39 1675 1487 A 17 ILE HD1% A 108 TYR HA 1.0 . 5.00 1676 1488 A 81 ILE HG2% A 81 ILE HD1% 1.0 . 2.95 1677 1489 A 66 ILE HB A 81 ILE HD1% 1.0 . 3.47 1678 1490 A 81 ILE HA A 81 ILE HD1% 1.0 . 5.42 1679 1491 A 41 VAL H A 40 GLU HA 1.0 . 2.77 1680 1492 A 54 ARG HA A 40 GLU HA 1.0 . 3.02 1681 1493 A 40 GLU HA A 40 GLU HG2 1.0 . 3.46 1682 1493 A 40 GLU HG3 A 40 GLU HA 1.0 . 3.46 1683 1494 A 9 ILE H A 8 GLU HA 1.0 . 3.02 1684 1495 A 90 LYS HBx A 89 MET HA 1.0 . 4.56 1685 1496 A 90 LYS HBy A 92 GLU HA 1.0 . 5.41 1686 1497 A 100 ASN HA A 100 ASN HD2y 1.0 . 3.97 1687 1498 A 6 LYS H A 5 ASP HA 1.0 . 3.08 1688 1499 A 5 ASP HA A 5 ASP HB2 1.0 . 2.74 1689 1499 A 5 ASP HB3 A 5 ASP HA 1.0 . 2.74 1690 1500 A 17 ILE HD1% A 17 ILE HA 1.0 . 4.17 1691 1501 A 17 ILE HD1% A 17 ILE HB 1.0 . 3.59 1692 1502 A 30 CYS H A 17 ILE HD1% 1.0 . 5.50 1693 1503 A 89 MET HE% A 89 MET HA 1.0 . 4.87 1694 1504 A 90 LYS H A 89 MET HA 1.0 . 2.94 1695 1505 A 89 MET HGx A 89 MET HA 1.0 . 3.88 1696 1506 A 89 MET HGy A 89 MET HA 1.0 . 3.90 1697 1507 A 93 ASN H A 92 GLU HA 1.0 . 2.94 1698 1508 A 92 GLU HA A 102 ASP HBy 1.0 . 3.81 1699 1509 A 85 THR H A 89 MET HA 1.0 . 4.11 1700 1510 A 93 ASN HA A 92 GLU HA 1.0 . 4.36 1701 1511 A 89 MET HE% A 16 TRP HZ2 1.0 . 5.50 1702 1512 A 89 MET HGy A 89 MET HE% 1.0 . 4.10 1703 1513 A 89 MET HBx A 89 MET HE% 1.0 . 3.20 1704 1514 A 16 TRP HE1 A 89 MET HE% 1.0 . 4.91 1705 1515 A 105 LEU H A 89 MET HE% 1.0 . 5.01 1706 1516 A 89 MET HE% A 91 TRP HE1 1.0 . 3.55 1707 1517 A 16 TRP HE3 A 89 MET HE% 1.0 . 3.74 1708 1518 A 89 MET HE% A 16 TRP HBx 1.0 . 3.98 1709 1518 A 89 MET HE% A 16 TRP HBy 1.0 . 3.98 1710 1519 A 89 MET HE% A 105 LEU HBy 1.0 . 4.31 1711 1520 A 89 MET HGx A 89 MET HE% 1.0 . 3.69 1712 1521 A 105 LEU HD2% A 89 MET HE% 1.0 . 2.98 1713 1522 A 105 LEU HD1% A 89 MET HE% 1.0 . 3.50 1714 1523 A 89 MET HE% A 91 TRP HBy 1.0 . 5.50 1715 1523 A 89 MET HE% A 91 TRP HBx 1.0 . 5.50 1716 1524 A 66 ILE H A 65 LEU HA 1.0 . 3.08 1717 1525 A 36 ASP HBy A 36 ASP HA 1.0 . 2.87 1718 1526 A 36 ASP HBx A 36 ASP HA 1.0 . 2.93 1719 1527 A 17 ILE HG2% A 109 ASN HA 1.0 . 4.84 1720 1528 A 110 ASP H A 109 ASN HA 1.0 . 2.95 1721 1529 A 79 TYR HBy A 91 TRP HA 1.0 . 4.70 1722 1530 A 89 MET HGx A 91 TRP HA 1.0 . 4.89 1723 1531 A 92 GLU H A 91 TRP HA 1.0 . 2.89 1724 1532 A 82 LEU H A 91 TRP HA 1.0 . 4.04 1725 1533 A 81 ILE HA A 91 TRP HA 1.0 . 3.88 1726 1534 A 82 LEU HG A 91 TRP HA 1.0 . 4.59 1727 1535 A 80 HIS H A 91 TRP HA 1.0 . 5.46 1728 1536 A 35 ALA H A 34 ASN HA 1.0 . 3.17 1729 1537 A 34 ASN HA A 35 ALA HB% 1.0 . 4.59 1730 1538 A 34 ASN HA A 13 VAL HGx% 1.0 . 3.43 1731 1539 A 70 ASP HA A 71 LYS H 1.0 . 3.11 1732 1540 A 70 ASP HA A 53 PHE HE% 1.0 . 4.12 1733 1541 A 70 ASP HA A 70 ASP HBy 1.0 . 3.01 1734 1542 A 70 ASP HBx A 70 ASP HA 1.0 . 3.02 1735 1543 A 70 ASP HA A 55 GLY HAy 1.0 . 4.37 1736 1544 A 69 TYR HA A 70 ASP HA 1.0 . 4.58 1737 1545 A 70 ASP HA A 71 LYS HA 1.0 . 4.45 1738 1546 A 70 ASP HA A 71 LYS HD2 1.0 . 4.90 1739 1546 A 70 ASP HA A 71 LYS HD3 1.0 . 4.90 1740 1547 A 10 PRO HDy A 9 ILE HG1y 1.0 . 5.50 1741 1547 A 9 ILE HG1x A 10 PRO HDy 1.0 . 5.50 1742 1548 A 9 ILE H A 10 PRO HDx 1.0 . 4.06 1743 1549 A 11 GLN H A 10 PRO HDx 1.0 . 4.43 1744 1550 A 47 LEU H A 46 PRO HDy 1.0 . 5.01 1745 1551 A 52 PRO HDy A 51 VAL HG1% 1.0 . 3.91 1746 1551 A 51 VAL HG2% A 52 PRO HDy 1.0 . 3.91 1747 1552 A 9 ILE HB A 10 PRO HDy 1.0 . 3.12 1748 1553 A 9 ILE HD1% A 10 PRO HDy 1.0 . 5.50 1749 1554 A 9 ILE H A 10 PRO HDy 1.0 . 3.89 1750 1555 A 47 LEU HBx A 46 PRO HDx 1.0 . 4.74 1751 1556 A 9 ILE HG2% A 10 PRO HDx 1.0 . 4.79 1752 1557 A 10 PRO HDx A 9 ILE HG1y 1.0 . 5.50 1753 1557 A 10 PRO HDx A 9 ILE HG1x 1.0 . 5.50 1754 1558 A 9 ILE HD1% A 10 PRO HDx 1.0 . 5.45 1755 1559 A 9 ILE HD1% A 9 ILE HA 1.0 . 3.22 1756 1560 A 9 ILE HD1% A 9 ILE HB 1.0 . 3.94 1757 1561 A 9 ILE HD1% A 9 ILE HG2% 1.0 . 3.11 1758 1562 A 51 VAL HA A 52 PRO HDy 1.0 . 2.84 1759 1563 A 47 LEU H A 46 PRO HDx 1.0 . 4.38 1760 1564 A 97 LYS H A 96 PRO HDy 1.0 . 4.02 1761 1565 A 21 PRO HDx A 103 LYS HGy 1.0 . 4.51 1762 1566 A 96 PRO HDx A 97 LYS HE2 1.0 . 5.50 1763 1566 A 96 PRO HDx A 97 LYS HE3 1.0 . 5.50 1764 1567 A 104 ARG H A 21 PRO HDy 1.0 . 4.94 1765 1568 A 103 LYS HBx A 21 PRO HDx 1.0 . 4.68 1766 1569 A 66 ILE HG2% A 91 TRP HZ2 1.0 . 3.72 1767 1570 A 66 ILE HD1% A 91 TRP HZ2 1.0 . 2.99 1768 1571 A 12 LEU HDy% A 91 TRP HZ2 1.0 . 3.64 1769 1572 A 81 ILE HG2% A 91 TRP HZ2 1.0 . 5.29 1770 1573 A 80 HIS HE1 A 63 GLU HB2 1.0 . 5.43 1771 1573 A 63 GLU HB3 A 80 HIS HE1 1.0 . 5.43 1772 1574 A 94 ALA HB% A 80 HIS HE1 1.0 . 4.93 1773 1575 A 74 HIS HE1 A 74 HIS HBx 1.0 . 4.98 1774 1576 A 72 GLU HBy A 74 HIS HE1 1.0 . 4.54 1775 1577 A 72 GLU HBx A 74 HIS HE1 1.0 . 3.80 1776 1578 A 57 TYR HD% A 59 ILE HG12 1.0 . 5.07 1777 1578 A 57 TYR HD% A 59 ILE HG13 1.0 . 5.07 1778 1579 A 38 THR H A 57 TYR HD% 1.0 . 5.27 1779 1580 A 57 TYR HD% A 58 ILE HA 1.0 . 5.29 1780 1581 A 68 LEU HDy% A 57 TYR HD% 1.0 . 5.28 1781 1582 A 42 TYR H A 42 TYR HD% 1.0 . 3.99 1782 1583 A 43 THR H A 42 TYR HD% 1.0 . 3.75 1783 1584 A 29 THR HG2% A 42 TYR HD% 1.0 . 3.89 1784 1585 A 30 CYS H A 42 TYR HD% 1.0 . 4.41 1785 1586 A 42 TYR HD% A 45 SER HBy 1.0 . 4.08 1786 1587 A 42 TYR HD% A 52 PRO HBy 1.0 . 3.62 1787 1588 A 108 TYR HD% A 108 TYR HA 1.0 . 3.20 1788 1589 A 108 TYR HD% A 17 ILE HB 1.0 . 3.88 1789 1590 A 108 TYR HD% A 109 ASN H 1.0 . 4.01 1790 1591 A 108 TYR HD% A 15 LYS HDx 1.0 . 3.67 1791 1592 A 75 CYS H A 69 TYR HD% 1.0 . 4.09 1792 1593 A 69 TYR HD% A 73 GLU HA 1.0 . 3.68 1793 1594 A 31 TYR HD% A 68 LEU HDx% 1.0 . 4.12 1794 1595 A 108 TYR HD% A 17 ILE HD1% 1.0 . 3.44 1795 1596 A 108 TYR HD% A 17 ILE H 1.0 . 4.02 1796 1597 A 74 HIS H A 69 TYR HD% 1.0 . 4.23 1797 1598 A 69 TYR HD% A 58 ILE HG1y 1.0 . 3.87 1798 1599 A 31 TYR HD% A 31 TYR H 1.0 . 3.44 1799 1600 A 31 TYR HD% A 31 TYR HA 1.0 . 3.70 1800 1601 A 41 VAL HB A 31 TYR HD% 1.0 . 3.56 1801 1602 A 31 TYR HD% A 41 VAL HGy% 1.0 . 3.42 1802 1603 A 105 LEU HD2% A 31 TYR HD% 1.0 . 3.13 1803 1604 A 31 TYR HD% A 16 TRP HBx 1.0 . 4.27 1804 1604 A 31 TYR HD% A 16 TRP HBy 1.0 . 4.27 1805 1605 A 69 TYR HD% A 69 TYR H 1.0 . 3.31 1806 1606 A 69 TYR HD% A 73 GLU H 1.0 . 4.70 1807 1607 A 69 TYR HD% A 69 TYR HA 1.0 . 3.63 1808 1608 A 75 CYS HA A 69 TYR HD% 1.0 . 3.84 1809 1609 A 69 TYR HD% A 58 ILE HD1% 1.0 . 4.94 1810 1610 A 39 TYR HD% A 39 TYR H 1.0 . 3.27 1811 1611 A 33 PHE HD% A 33 PHE HA 1.0 . 3.29 1812 1612 A 39 TYR HD% A 40 GLU H 1.0 . 3.52 1813 1613 A 41 VAL HB A 39 TYR HD% 1.0 . 3.95 1814 1614 A 16 TRP HE1 A 33 PHE HD% 1.0 . 3.63 1815 1615 A 33 PHE H A 33 PHE HD% 1.0 . 3.43 1816 1616 A 33 PHE HD% A 12 LEU HDx% 1.0 . 3.28 1817 1617 A 12 LEU HDy% A 33 PHE HD% 1.0 . 3.54 1818 1618 A 39 TYR HD% A 38 THR HA 1.0 . 4.75 1819 1619 A 39 TYR HD% A 55 GLY HAx 1.0 . 5.13 1820 1620 A 39 TYR HD% A 56 THR HB 1.0 . 5.32 1821 1621 A 54 ARG H A 53 PHE HD% 1.0 . 3.96 1822 1622 A 53 PHE HD% A 53 PHE HA 1.0 . 3.70 1823 1623 A 41 VAL HGx% A 53 PHE HD% 1.0 . 3.30 1824 1624 A 41 VAL HGx% A 53 PHE HE% 1.0 . 4.38 1825 1625 A 70 ASP H A 53 PHE HE% 1.0 . 5.50 1826 1626 A 70 ASP HBy A 53 PHE HE% 1.0 . 4.99 1827 1627 A 53 PHE HA A 53 PHE HE% 1.0 . 4.85 1828 1628 A 76 THR HG2% A 53 PHE HE% 1.0 . 4.47 1829 1629 A 71 LYS H A 53 PHE HE% 1.0 . 5.38 1830 1630 A 27 PHE HA A 27 PHE HE% 1.0 . 4.43 1831 1631 A 44 GLY HAy A 27 PHE HE% 1.0 . 3.71 1832 1632 A 25 ASP HBx A 27 PHE HE% 1.0 . 4.08 1833 1633 A 43 THR HG2% A 27 PHE HE% 1.0 . 3.67 1834 1634 A 27 PHE HD% A 27 PHE HA 1.0 . 3.89 1835 1635 A 44 GLY HAy A 27 PHE HD% 1.0 . 3.55 1836 1636 A 27 PHE HD% A 43 THR HG2% 1.0 . 3.36 1837 1637 A 27 PHE HD% A 23 LEU HDx% 1.0 . 4.60 1838 1638 A 28 VAL H A 27 PHE HD% 1.0 . 4.31 1839 1639 A 44 GLY HAy A 27 PHE HZ 1.0 . 4.23 1840 1640 A 91 TRP HD1 A 91 TRP HBy 1.0 . 3.71 1841 1640 A 91 TRP HBx A 91 TRP HD1 1.0 . 3.71 1842 1641 A 68 LEU HDx% A 91 TRP HD1 1.0 . 3.99 1843 1642 A 70 ASP H A 53 PHE HZ 1.0 . 5.50 1844 1643 A 71 LYS H A 53 PHE HZ 1.0 . 5.11 1845 1644 A 70 ASP HA A 53 PHE HZ 1.0 . 4.02 1846 1645 A 70 ASP HBy A 53 PHE HZ 1.0 . 3.83 1847 1646 A 70 ASP HBx A 53 PHE HZ 1.0 . 3.49 1848 1647 A 43 THR HG2% A 27 PHE HZ 1.0 . 5.20 1849 1648 A 66 ILE HG2% A 91 TRP HH2 1.0 . 3.87 1850 1649 A 66 ILE HD1% A 91 TRP HH2 1.0 . 4.94 1851 1650 A 16 TRP HD1 A 15 LYS HB2 1.0 . 4.85 1852 1650 A 15 LYS HB3 A 16 TRP HD1 1.0 . 4.85 1853 1651 A 16 TRP H A 16 TRP HD1 1.0 . 3.70 1854 1652 A 33 PHE H A 16 TRP HD1 1.0 . 3.95 1855 1653 A 33 PHE HD% A 16 TRP HD1 1.0 . 2.92 1856 1654 A 16 TRP HD1 A 14 GLY HAx 1.0 . 5.44 1857 1655 A 16 TRP HD1 A 16 TRP HBx 1.0 . 3.46 1858 1655 A 16 TRP HD1 A 16 TRP HBy 1.0 . 3.46 1859 1656 A 32 THR HG2% A 16 TRP HD1 1.0 . 5.11 1860 1657 A 89 MET HE% A 16 TRP HD1 1.0 . 4.81 1861 1658 A 107 LYS HEy A 16 TRP HD1 1.0 . 5.03 1862 1659 A 16 TRP HD1 A 15 LYS HA 1.0 . 3.96 1863 1660 A 16 TRP HH2 A 88 GLU HA 1.0 . 4.81 1864 1661 A 89 MET H A 16 TRP HH2 1.0 . 4.62 1865 1662 A 84 LEU HA A 16 TRP HH2 1.0 . 5.20 1866 1663 A 88 GLU H A 16 TRP HH2 1.0 . 4.54 1867 1664 A 89 MET HE% A 16 TRP HH2 1.0 . 5.29 1868 1665 A 85 THR H A 16 TRP HH2 1.0 . 4.51 1869 1666 A 84 LEU HDy% A 16 TRP HH2 1.0 . 3.22 1870 1667 A 84 LEU HDx% A 16 TRP HH2 1.0 . 4.47 1871 1668 A 66 ILE HG2% A 91 TRP HZ3 1.0 . 5.11 1872 1669 A 91 TRP HZ3 A 81 ILE HD1% 1.0 . 5.37 1873 1670 A 107 LYS HBy A 16 TRP HZ3 1.0 . 4.96 1874 1671 A 107 LYS H A 16 TRP HZ3 1.0 . 3.70 1875 1672 A 16 TRP HZ3 A 107 LYS HG2 1.0 . 5.34 1876 1672 A 16 TRP HZ3 A 107 LYS HG3 1.0 . 5.34 1877 1673 A 16 TRP HZ3 A 89 MET H 1.0 . 3.64 1878 1674 A 16 TRP HZ3 A 84 LEU HDy% 1.0 . 4.31 1879 1675 A 87 LYS HA A 16 TRP HZ3 1.0 . 4.87 1880 1676 A 16 TRP HZ3 A 88 GLU H 1.0 . 4.25 1881 1677 A 91 TRP H A 91 TRP HE3 1.0 . 4.01 1882 1678 A 82 LEU H A 91 TRP HE3 1.0 . 4.37 1883 1679 A 89 MET HGy A 91 TRP HE3 1.0 . 4.24 1884 1680 A 90 LYS HBx A 91 TRP HE3 1.0 . 4.56 1885 1681 A 91 TRP HE3 A 91 TRP HA 1.0 . 3.13 1886 1682 A 81 ILE HA A 91 TRP HE3 1.0 . 3.22 1887 1683 A 91 TRP HE3 A 81 ILE HG2% 1.0 . 4.10 1888 1684 A 91 TRP HE3 A 81 ILE HG1x 1.0 . 4.17 1889 1685 A 105 LEU HD1% A 91 TRP HE3 1.0 . 5.50 1890 1686 A 66 ILE HG2% A 91 TRP HE3 1.0 . 5.34 1891 1687 A 89 MET HGx A 91 TRP HE3 1.0 . 3.93 1892 1688 A 65 LEU HDy% A 80 HIS HD2 1.0 . 5.46 1893 1689 A 80 HIS HA A 80 HIS HD2 1.0 . 4.49 1894 1690 A 74 HIS HD2 A 74 HIS HBy 1.0 . 3.77 1895 1691 A 76 THR HG2% A 74 HIS HD2 1.0 . 4.14 1896 1692 A 39 TYR HE% A 68 LEU HBx 1.0 . 4.30 1897 1693 A 41 VAL HGx% A 39 TYR HE% 1.0 . 3.41 1898 1694 A 68 LEU HDy% A 39 TYR HE% 1.0 . 3.88 1899 1695 A 69 TYR H A 39 TYR HE% 1.0 . 3.54 1900 1696 A 39 TYR HE% A 56 THR H 1.0 . 3.66 1901 1697 A 39 TYR HE% A 55 GLY HAx 1.0 . 4.36 1902 1698 A 41 VAL HB A 39 TYR HE% 1.0 . 4.21 1903 1699 A 39 TYR HE% A 68 LEU HDx% 1.0 . 4.65 1904 1700 A 39 TYR HE% A 40 GLU H 1.0 . 4.99 1905 1701 A 39 TYR HE% A 55 GLY HAy 1.0 . 4.70 1906 1702 A 108 TYR HE% A 30 CYS HBy 1.0 . 3.57 1907 1703 A 17 ILE HD1% A 108 TYR HE% 1.0 . 4.16 1908 1704 A 103 LYS HEy A 31 TYR HE% 1.0 . 4.42 1909 1705 A 41 VAL HB A 31 TYR HE% 1.0 . 3.62 1910 1706 A 41 VAL HGy% A 31 TYR HE% 1.0 . 3.11 1911 1707 A 16 TRP HE3 A 17 ILE H 1.0 . 4.40 1912 1708 A 107 LYS H A 16 TRP HE3 1.0 . 4.18 1913 1709 A 69 TYR HE% A 75 CYS HBx 1.0 . 3.34 1914 1710 A 69 TYR HE% A 58 ILE HD1% 1.0 . 3.64 1915 1711 A 16 TRP HE3 A 16 TRP HBx 1.0 . 3.18 1916 1711 A 16 TRP HE3 A 16 TRP HBy 1.0 . 3.18 1917 1712 A 16 TRP HE3 A 105 LEU HBy 1.0 . 3.36 1918 1713 A 16 TRP HE3 A 105 LEU HBx 1.0 . 3.26 1919 1714 A 16 TRP HE3 A 89 MET HBx 1.0 . 4.49 1920 1715 A 105 LEU HD2% A 16 TRP HE3 1.0 . 4.33 1921 1716 A 16 TRP HE3 A 89 MET H 1.0 . 4.92 1922 1717 A 16 TRP HE3 A 16 TRP HA 1.0 . 3.84 1923 1718 A 75 CYS H A 69 TYR HE% 1.0 . 3.67 1924 1719 A 69 TYR HE% A 58 ILE HB 1.0 . 3.09 1925 1720 A 69 TYR HE% A 74 HIS HA 1.0 . 4.02 1926 1721 A 16 TRP HE3 A 106 GLU H 1.0 . 4.39 1927 1722 A 16 TRP HE3 A 105 LEU HA 1.0 . 4.17 1928 1723 A 16 TRP HE3 A 106 GLU HA 1.0 . 4.06 1929 1724 A 16 TRP HE3 A 107 LYS HA 1.0 . 4.01 1930 1725 A 69 TYR HE% A 67 LYS HA 1.0 . 5.26 1931 1726 A 42 TYR HE% A 49 ASN HA 1.0 . 2.69 1932 1727 A 42 TYR HE% A 50 GLY H 1.0 . 4.25 1933 1728 A 42 TYR HE% A 45 SER HBy 1.0 . 3.49 1934 1729 A 107 LYS HEx A 16 TRP HZ2 1.0 . 4.12 1935 1730 A 84 LEU HDy% A 16 TRP HZ2 1.0 . 3.12 1936 1731 A 84 LEU HDx% A 16 TRP HZ2 1.0 . 3.98 1937 1732 A 12 LEU HDy% A 16 TRP HZ2 1.0 . 4.27 1938 1733 A 16 TRP HZ2 A 12 LEU HA 1.0 . 3.15 stop_ save_