data_nef_c19012_2m4l 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 BMRB 19033 BMRB 19034 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 GLU middle . . 3 A 3 ASP middle . . 4 A 4 TRP middle . . 5 A 5 THR middle . . 6 A 6 GLU middle . . 7 A 7 LEU middle . . 8 A 8 ASN middle . . 9 A 9 SER middle . . 10 A 10 ASN middle . . 11 A 11 ASN middle . . 12 A 12 ILE middle . . 13 A 13 ILE middle . . 14 A 14 GLY middle . false 15 A 15 TYR middle . . 16 A 16 TRP middle . . 17 A 17 SER middle . . 18 A 18 THR middle . . 19 A 19 GLY middle . false 20 A 20 ILE middle . . 21 A 21 GLU middle . . 22 A 22 GLY middle . false 23 A 23 THR middle . . 24 A 24 HIS middle . . 25 A 25 LYS middle . . 26 A 26 LEU middle . . 27 A 27 LEU middle . . 28 A 28 SER middle . . 29 A 29 PHE middle . . 30 A 30 ASP middle . . 31 A 31 GLU middle . . 32 A 32 ASP middle . . 33 A 33 GLY middle . false 34 A 34 THR middle . . 35 A 35 GLY middle . false 36 A 36 SER middle . . 37 A 37 PHE middle . . 38 A 38 GLY middle . false 39 A 39 ILE middle . . 40 A 40 TYR middle . . 41 A 41 SER middle . . 42 A 42 ASN middle . . 43 A 43 ALA middle . . 44 A 44 THR middle . . 45 A 45 PRO middle . false 46 A 46 ILE middle . . 47 A 47 SER middle . . 48 A 48 PHE middle . . 49 A 49 GLN middle . . 50 A 50 MET middle . . 51 A 51 PHE middle . . 52 A 52 ASP middle . . 53 A 53 TYR middle . . 54 A 54 LYS middle . . 55 A 55 ILE middle . . 56 A 56 GLU middle . . 57 A 57 GLU middle . . 58 A 58 GLY middle . false 59 A 59 ARG middle . . 60 A 60 ILE middle . . 61 A 61 TYR middle . . 62 A 62 ILE middle . . 63 A 63 TYR middle . . 64 A 64 ASP middle . . 65 A 65 VAL middle . . 66 A 66 TYR middle . . 67 A 67 PRO middle . true 68 A 68 ASP middle . . 69 A 69 GLU middle . . 70 A 70 LYS middle . . 71 A 71 THR middle . . 72 A 72 PRO middle . false 73 A 73 TYR middle . . 74 A 74 TYR middle . . 75 A 75 LEU middle . . 76 A 76 ASP middle . . 77 A 77 CYS middle . . 78 A 78 LYS middle . . 79 A 79 ILE middle . . 80 A 80 SER middle . . 81 A 81 GLY middle . false 82 A 82 THR middle . . 83 A 83 THR middle . . 84 A 84 LEU middle . . 85 A 85 LYS middle . . 86 A 86 VAL middle . . 87 A 87 GLU middle . . 88 A 88 THR middle . . 89 A 89 GLY middle . false 90 A 90 SER middle . . 91 A 91 GLU middle . . 92 A 92 ALA middle . . 93 A 93 GLY middle . false 94 A 94 THR middle . . 95 A 95 TYR middle . . 96 A 96 LYS middle . . 97 A 97 LYS middle . . 98 A 98 GLN middle . . 99 A 99 LYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY HAx H 1 3.744 0.006 A 1 GLY HAy H 1 3.744 0.006 A 1 GLY CA C 13 40.808 0.162 A 2 GLU H H 1 8.212 0.006 A 2 GLU HA H 1 4.009 0.006 A 2 GLU HBx H 1 1.332 0.006 A 2 GLU HBy H 1 1.353 0.006 A 2 GLU CA C 13 53.190 0.162 A 2 GLU CB C 13 27.574 0.162 A 2 GLU N N 15 119.968 0.121 A 3 ASP H H 1 8.209 0.006 A 3 ASP HA H 1 4.509 0.006 A 3 ASP HBy H 1 2.516 0.006 A 3 ASP HBx H 1 2.371 0.006 A 3 ASP CA C 13 50.691 0.162 A 3 ASP CB C 13 38.121 0.162 A 3 ASP N N 15 122.057 0.121 A 4 TRP H H 1 7.614 0.006 A 4 TRP HA H 1 4.749 0.006 A 4 TRP HBy H 1 3.336 0.006 A 4 TRP HBx H 1 2.983 0.006 A 4 TRP HD1 H 1 7.264 0.006 A 4 TRP HE1 H 1 10.080 0.006 A 4 TRP HE3 H 1 7.281 0.006 A 4 TRP HH2 H 1 6.966 0.006 A 4 TRP HZ2 H 1 7.387 0.006 A 4 TRP HZ3 H 1 6.713 0.006 A 4 TRP CA C 13 53.792 0.162 A 4 TRP CB C 13 27.994 0.162 A 4 TRP CD1 C 13 125.937 0.162 A 4 TRP CE3 C 13 119.044 0.162 A 4 TRP CH2 C 13 121.731 0.162 A 4 TRP CZ2 C 13 112.069 0.162 A 4 TRP CZ3 C 13 119.054 0.162 A 4 TRP N N 15 121.397 0.121 A 4 TRP NE1 N 15 129.070 0.121 A 5 THR H H 1 9.387 0.006 A 5 THR HA H 1 4.733 0.006 A 5 THR HB H 1 4.127 0.006 A 5 THR HG2% H 1 1.129 0.006 A 5 THR CA C 13 57.170 0.162 A 5 THR CB C 13 68.444 0.162 A 5 THR CG2 C 13 17.426 0.162 A 5 THR N N 15 117.669 0.121 A 6 GLU H H 1 8.027 0.006 A 6 GLU HA H 1 4.283 0.006 A 6 GLU HBx H 1 1.931 0.006 A 6 GLU HBy H 1 1.931 0.006 A 6 GLU HGx H 1 2.265 0.006 A 6 GLU HGy H 1 2.265 0.006 A 6 GLU CA C 13 53.743 0.162 A 6 GLU CB C 13 28.184 0.162 A 6 GLU CG C 13 33.885 0.162 A 6 GLU N N 15 121.359 0.121 A 7 LEU H H 1 8.626 0.006 A 7 LEU HA H 1 4.217 0.006 A 7 LEU HBx H 1 1.282 0.006 A 7 LEU HBy H 1 1.373 0.006 A 7 LEU HDx% H 1 0.397 0.006 A 7 LEU HDy% H 1 0.533 0.006 A 7 LEU HG H 1 1.274 0.006 A 7 LEU CA C 13 52.720 0.162 A 7 LEU CB C 13 40.595 0.162 A 7 LEU CDy C 13 23.335 0.162 A 7 LEU CDx C 13 22.423 0.162 A 7 LEU CG C 13 25.025 0.162 A 7 LEU N N 15 126.701 0.121 A 8 ASN H H 1 9.218 0.006 A 8 ASN HA H 1 4.611 0.006 A 8 ASN HBy H 1 3.095 0.006 A 8 ASN HBx H 1 2.768 0.006 A 8 ASN HD2y H 1 7.654 0.006 A 8 ASN HD2x H 1 6.865 0.006 A 8 ASN CA C 13 49.652 0.162 A 8 ASN CB C 13 38.102 0.162 A 8 ASN N N 15 121.528 0.121 A 8 ASN ND2 N 15 116.565 0.121 A 9 SER H H 1 8.268 0.006 A 9 SER HA H 1 4.045 0.006 A 9 SER HBx H 1 3.869 0.006 A 9 SER HBy H 1 3.929 0.006 A 9 SER CA C 13 58.381 0.162 A 9 SER CB C 13 60.521 0.162 A 9 SER N N 15 109.319 0.121 A 10 ASN H H 1 8.610 0.006 A 10 ASN HA H 1 4.872 0.006 A 10 ASN HBx H 1 2.714 0.006 A 10 ASN HBy H 1 2.714 0.006 A 10 ASN HD2y H 1 7.538 0.006 A 10 ASN HD2x H 1 6.902 0.006 A 10 ASN CA C 13 52.508 0.162 A 10 ASN CB C 13 37.905 0.162 A 10 ASN N N 15 117.403 0.121 A 10 ASN ND2 N 15 113.206 0.121 A 11 ASN H H 1 8.614 0.006 A 11 ASN HA H 1 4.396 0.006 A 11 ASN HBy H 1 3.051 0.006 A 11 ASN HBx H 1 2.810 0.006 A 11 ASN HD2x H 1 6.886 0.006 A 11 ASN HD2y H 1 7.130 0.006 A 11 ASN CA C 13 51.832 0.162 A 11 ASN CB C 13 34.355 0.162 A 11 ASN N N 15 119.053 0.121 A 11 ASN ND2 N 15 107.374 0.121 A 12 ILE H H 1 7.041 0.006 A 12 ILE HA H 1 4.185 0.006 A 12 ILE HB H 1 1.466 0.006 A 12 ILE HD1% H 1 -0.155 0.006 A 12 ILE HG1y H 1 0.287 0.006 A 12 ILE HG1x H 1 0.153 0.006 A 12 ILE HG2% H 1 0.586 0.006 A 12 ILE CA C 13 55.309 0.162 A 12 ILE CB C 13 36.651 0.162 A 12 ILE CD1 C 13 11.938 0.162 A 12 ILE CG1 C 13 25.699 0.162 A 12 ILE CG2 C 13 12.680 0.162 A 12 ILE N N 15 117.943 0.121 A 13 ILE H H 1 6.635 0.006 A 13 ILE HA H 1 3.800 0.006 A 13 ILE HB H 1 1.885 0.006 A 13 ILE HD1% H 1 0.910 0.006 A 13 ILE HG1x H 1 1.253 0.006 A 13 ILE HG1y H 1 1.724 0.006 A 13 ILE HG2% H 1 1.025 0.006 A 13 ILE CA C 13 58.469 0.162 A 13 ILE CB C 13 34.584 0.162 A 13 ILE CD1 C 13 9.697 0.162 A 13 ILE CG1 C 13 25.636 0.162 A 13 ILE CG2 C 13 14.946 0.162 A 13 ILE N N 15 118.354 0.121 A 14 GLY H H 1 8.842 0.006 A 14 GLY HAx H 1 3.719 0.006 A 14 GLY HAy H 1 4.233 0.006 A 14 GLY CA C 13 41.496 0.162 A 14 GLY N N 15 114.150 0.121 A 15 TYR H H 1 8.264 0.006 A 15 TYR HA H 1 4.961 0.006 A 15 TYR HBx H 1 2.775 0.006 A 15 TYR HBy H 1 2.775 0.006 A 15 TYR HDx H 1 7.037 0.006 A 15 TYR HDy H 1 7.037 0.006 A 15 TYR HEx H 1 6.769 0.006 A 15 TYR HEy H 1 6.769 0.006 A 15 TYR CA C 13 54.499 0.162 A 15 TYR CB C 13 38.075 0.162 A 15 TYR CDx C 13 130.346 0.162 A 15 TYR CDy C 13 130.346 0.162 A 15 TYR CEx C 13 115.917 0.162 A 15 TYR N N 15 119.014 0.121 A 16 TRP H H 1 9.497 0.006 A 16 TRP HA H 1 5.175 0.006 A 16 TRP HBx H 1 3.107 0.006 A 16 TRP HBy H 1 3.224 0.006 A 16 TRP HD1 H 1 7.083 0.006 A 16 TRP HE1 H 1 9.899 0.006 A 16 TRP HE3 H 1 7.036 0.006 A 16 TRP HH2 H 1 6.998 0.006 A 16 TRP HZ2 H 1 7.517 0.006 A 16 TRP HZ3 H 1 6.698 0.006 A 16 TRP CA C 13 52.970 0.162 A 16 TRP CB C 13 28.341 0.162 A 16 TRP CD1 C 13 125.600 0.162 A 16 TRP CE3 C 13 116.970 0.162 A 16 TRP CH2 C 13 121.564 0.162 A 16 TRP CZ2 C 13 111.977 0.162 A 16 TRP CZ3 C 13 120.427 0.162 A 16 TRP N N 15 124.101 0.121 A 16 TRP NE1 N 15 127.851 0.121 A 17 SER H H 1 9.182 0.006 A 17 SER HA H 1 6.272 0.006 A 17 SER HBx H 1 3.837 0.006 A 17 SER HBy H 1 3.837 0.006 A 17 SER CA C 13 53.039 0.162 A 17 SER CB C 13 63.415 0.162 A 17 SER N N 15 115.863 0.121 A 18 THR H H 1 8.996 0.006 A 18 THR HB H 1 4.491 0.006 A 18 THR HG2% H 1 0.397 0.006 A 18 THR CB C 13 67.199 0.162 A 18 THR CG2 C 13 17.202 0.162 A 18 THR N N 15 119.520 0.121 A 19 GLY H H 1 8.206 0.006 A 19 GLY HAx H 1 3.842 0.006 A 19 GLY HAy H 1 4.413 0.006 A 19 GLY CA C 13 42.615 0.162 A 19 GLY N N 15 110.006 0.121 A 20 ILE H H 1 7.953 0.006 A 20 ILE HA H 1 3.519 0.006 A 20 ILE HB H 1 1.667 0.006 A 20 ILE HD1% H 1 0.687 0.006 A 20 ILE HG1y H 1 1.114 0.006 A 20 ILE HG1x H 1 0.917 0.006 A 20 ILE HG2% H 1 0.657 0.006 A 20 ILE CA C 13 57.765 0.162 A 20 ILE CB C 13 37.839 0.162 A 20 ILE CD1 C 13 11.155 0.162 A 20 ILE CG1 C 13 24.250 0.162 A 20 ILE CG2 C 13 15.252 0.162 A 20 ILE N N 15 111.313 0.121 A 21 GLU H H 1 7.514 0.006 A 21 GLU HA H 1 4.463 0.006 A 21 GLU HBx H 1 1.932 0.006 A 21 GLU HBy H 1 1.932 0.006 A 21 GLU HGx H 1 2.119 0.006 A 21 GLU HGy H 1 2.119 0.006 A 21 GLU CA C 13 52.227 0.162 A 21 GLU CB C 13 29.468 0.162 A 21 GLU CG C 13 33.242 0.162 A 21 GLU N N 15 119.547 0.121 A 22 GLY H H 1 8.457 0.006 A 22 GLY HAx H 1 3.739 0.006 A 22 GLY HAy H 1 3.981 0.006 A 22 GLY CA C 13 43.582 0.162 A 22 GLY N N 15 109.534 0.121 A 23 THR H H 1 8.881 0.006 A 23 THR HA H 1 5.271 0.006 A 23 THR HB H 1 4.046 0.006 A 23 THR HG2% H 1 1.054 0.006 A 23 THR CA C 13 60.060 0.162 A 23 THR CB C 13 65.680 0.162 A 23 THR CG2 C 13 18.974 0.162 A 23 THR N N 15 124.632 0.121 A 24 HIS H H 1 8.919 0.006 A 24 HIS HA H 1 4.780 0.006 A 24 HIS HBx H 1 2.859 0.006 A 24 HIS HBy H 1 2.945 0.006 A 24 HIS HD2 H 1 7.152 0.006 A 24 HIS CA C 13 50.970 0.162 A 24 HIS CB C 13 27.898 0.162 A 24 HIS CD2 C 13 118.381 0.162 A 24 HIS N N 15 122.881 0.121 A 25 LYS H H 1 8.816 0.006 A 25 LYS HA H 1 5.437 0.006 A 25 LYS HBy H 1 2.386 0.006 A 25 LYS HBx H 1 1.926 0.006 A 25 LYS HDx H 1 1.608 0.006 A 25 LYS HDy H 1 1.843 0.006 A 25 LYS HEy H 1 3.014 0.006 A 25 LYS HEx H 1 2.857 0.006 A 25 LYS HGy H 1 1.424 0.006 A 25 LYS HGx H 1 1.318 0.006 A 25 LYS CA C 13 52.650 0.162 A 25 LYS CB C 13 33.277 0.162 A 25 LYS CD C 13 27.558 0.162 A 25 LYS CE C 13 40.192 0.162 A 25 LYS CG C 13 24.203 0.162 A 25 LYS N N 15 119.738 0.121 A 26 LEU H H 1 9.420 0.006 A 26 LEU HA H 1 5.825 0.006 A 26 LEU HBy H 1 1.969 0.006 A 26 LEU HBx H 1 1.657 0.006 A 26 LEU HDx% H 1 0.946 0.006 A 26 LEU HDy% H 1 1.004 0.006 A 26 LEU HG H 1 1.657 0.006 A 26 LEU CA C 13 51.614 0.162 A 26 LEU CB C 13 44.544 0.162 A 26 LEU CDx C 13 21.728 0.162 A 26 LEU CDy C 13 22.958 0.162 A 26 LEU CG C 13 25.420 0.162 A 26 LEU N N 15 126.017 0.121 A 27 LEU H H 1 9.475 0.006 A 27 LEU HA H 1 5.417 0.006 A 27 LEU HBx H 1 1.195 0.006 A 27 LEU HBy H 1 1.304 0.006 A 27 LEU HDx% H 1 0.120 0.006 A 27 LEU HDy% H 1 0.686 0.006 A 27 LEU HG H 1 1.525 0.006 A 27 LEU CA C 13 50.740 0.162 A 27 LEU CB C 13 44.569 0.162 A 27 LEU CDy C 13 22.303 0.162 A 27 LEU CDx C 13 21.580 0.162 A 27 LEU CG C 13 24.443 0.162 A 27 LEU N N 15 128.825 0.121 A 28 SER H H 1 8.859 0.006 A 28 SER HA H 1 5.337 0.006 A 28 SER HBx H 1 3.197 0.006 A 28 SER HBy H 1 3.250 0.006 A 28 SER CA C 13 53.530 0.162 A 28 SER CB C 13 63.368 0.162 A 28 SER N N 15 117.701 0.121 A 29 PHE H H 1 8.401 0.006 A 29 PHE HA H 1 4.679 0.006 A 29 PHE HBy H 1 2.987 0.006 A 29 PHE HBx H 1 2.616 0.006 A 29 PHE HDx H 1 6.222 0.006 A 29 PHE HDy H 1 6.222 0.006 A 29 PHE HEx H 1 6.374 0.006 A 29 PHE HEy H 1 6.374 0.006 A 29 PHE HZ H 1 6.781 0.006 A 29 PHE CA C 13 54.565 0.162 A 29 PHE CB C 13 39.104 0.162 A 29 PHE CDx C 13 129.900 0.162 A 29 PHE CEx C 13 127.122 0.162 A 29 PHE CZ C 13 127.788 0.162 A 29 PHE N N 15 117.319 0.121 A 30 ASP H H 1 9.573 0.006 A 30 ASP HA H 1 5.217 0.006 A 30 ASP HBy H 1 3.078 0.006 A 30 ASP HBx H 1 2.716 0.006 A 30 ASP CA C 13 50.408 0.162 A 30 ASP CB C 13 41.148 0.162 A 30 ASP N N 15 123.741 0.121 A 31 GLU H H 1 9.718 0.006 A 31 GLU HA H 1 4.127 0.006 A 31 GLU HBx H 1 2.129 0.006 A 31 GLU HBy H 1 2.129 0.006 A 31 GLU HGy H 1 2.385 0.006 A 31 GLU HGx H 1 2.345 0.006 A 31 GLU CA C 13 56.324 0.162 A 31 GLU CB C 13 27.283 0.162 A 31 GLU CG C 13 33.734 0.162 A 31 GLU N N 15 127.123 0.121 A 32 ASP H H 1 8.911 0.006 A 32 ASP HA H 1 4.443 0.006 A 32 ASP HBx H 1 2.598 0.006 A 32 ASP HBy H 1 3.013 0.006 A 32 ASP CA C 13 50.919 0.162 A 32 ASP CB C 13 37.344 0.162 A 32 ASP N N 15 119.011 0.121 A 33 GLY H H 1 7.781 0.006 A 33 GLY HAx H 1 3.069 0.006 A 33 GLY HAy H 1 4.066 0.006 A 33 GLY CA C 13 43.879 0.162 A 33 GLY N N 15 106.215 0.121 A 34 THR H H 1 7.863 0.006 A 34 THR HA H 1 5.474 0.006 A 34 THR HB H 1 4.261 0.006 A 34 THR HG2% H 1 1.102 0.006 A 34 THR CA C 13 57.389 0.162 A 34 THR CB C 13 69.991 0.162 A 34 THR CG2 C 13 18.611 0.162 A 34 THR N N 15 111.570 0.121 A 35 GLY H H 1 8.235 0.006 A 35 GLY HAx H 1 3.518 0.006 A 35 GLY HAy H 1 3.982 0.006 A 35 GLY CA C 13 43.233 0.162 A 35 GLY N N 15 106.781 0.121 A 36 SER H H 1 8.182 0.006 A 36 SER HA H 1 4.659 0.006 A 36 SER HBy H 1 3.626 0.006 A 36 SER HBx H 1 3.583 0.006 A 36 SER CA C 13 54.509 0.162 A 36 SER CB C 13 64.821 0.162 A 36 SER N N 15 113.807 0.121 A 37 PHE H H 1 8.829 0.006 A 37 PHE HA H 1 5.885 0.006 A 37 PHE HBy H 1 3.568 0.006 A 37 PHE HBx H 1 2.617 0.006 A 37 PHE HDx H 1 7.124 0.006 A 37 PHE HDy H 1 7.124 0.006 A 37 PHE HEx H 1 7.211 0.006 A 37 PHE HEy H 1 7.211 0.006 A 37 PHE CA C 13 52.308 0.162 A 37 PHE CB C 13 41.174 0.162 A 37 PHE CDx C 13 129.719 0.162 A 37 PHE CEx C 13 127.932 0.162 A 37 PHE N N 15 120.041 0.121 A 38 GLY H H 1 8.936 0.006 A 38 GLY HAx H 1 3.518 0.006 A 38 GLY HAy H 1 4.645 0.006 A 38 GLY CA C 13 42.092 0.162 A 38 GLY N N 15 115.263 0.121 A 39 ILE H H 1 7.724 0.006 A 39 ILE HA H 1 4.292 0.006 A 39 ILE HB H 1 1.252 0.006 A 39 ILE HD1% H 1 0.748 0.006 A 39 ILE HG1x H 1 0.477 0.006 A 39 ILE HG1y H 1 0.992 0.006 A 39 ILE HG2% H 1 0.656 0.006 A 39 ILE CA C 13 58.280 0.162 A 39 ILE CB C 13 36.838 0.162 A 39 ILE CD1 C 13 10.491 0.162 A 39 ILE CG1 C 13 25.769 0.162 A 39 ILE CG2 C 13 14.847 0.162 A 39 ILE N N 15 119.791 0.121 A 40 TYR H H 1 8.782 0.006 A 40 TYR HA H 1 4.742 0.006 A 40 TYR HBy H 1 2.455 0.006 A 40 TYR HBx H 1 1.074 0.006 A 40 TYR HDx H 1 6.497 0.006 A 40 TYR HDy H 1 6.497 0.006 A 40 TYR HEx H 1 6.605 0.006 A 40 TYR HEy H 1 6.605 0.006 A 40 TYR CA C 13 53.881 0.162 A 40 TYR CB C 13 39.894 0.162 A 40 TYR CDx C 13 130.069 0.162 A 40 TYR CDy C 13 130.069 0.162 A 40 TYR CEy C 13 115.567 0.162 A 40 TYR N N 15 125.748 0.121 A 41 SER H H 1 8.708 0.006 A 41 SER HA H 1 4.689 0.006 A 41 SER HBy H 1 3.668 0.006 A 41 SER HBx H 1 3.536 0.006 A 41 SER CA C 13 53.337 0.162 A 41 SER CB C 13 60.205 0.162 A 41 SER N N 15 114.721 0.121 A 42 ASN H H 1 9.239 0.006 A 42 ASN HA H 1 4.298 0.006 A 42 ASN HBy H 1 3.274 0.006 A 42 ASN HBx H 1 2.916 0.006 A 42 ASN HD2y H 1 7.695 0.006 A 42 ASN HD2x H 1 7.158 0.006 A 42 ASN CA C 13 54.083 0.162 A 42 ASN CB C 13 34.720 0.162 A 42 ASN N N 15 124.063 0.121 A 42 ASN ND2 N 15 115.884 0.121 A 43 ALA H H 1 8.468 0.006 A 43 ALA HA H 1 4.576 0.006 A 43 ALA HB% H 1 1.428 0.006 A 43 ALA CA C 13 50.170 0.162 A 43 ALA CB C 13 16.678 0.162 A 43 ALA N N 15 125.505 0.121 A 44 THR H H 1 8.420 0.006 A 44 THR HA H 1 4.550 0.006 A 44 THR HB H 1 4.253 0.006 A 44 THR HG2% H 1 1.136 0.006 A 44 THR CA C 13 58.028 0.162 A 44 THR CB C 13 68.176 0.162 A 44 THR CG2 C 13 18.653 0.162 A 44 THR N N 15 119.056 0.121 A 45 PRO HA H 1 3.797 0.006 A 45 PRO HBy H 1 1.659 0.006 A 45 PRO HBx H 1 1.575 0.006 A 45 PRO HDx H 1 3.766 0.006 A 45 PRO HDy H 1 4.058 0.006 A 45 PRO HGy H 1 2.068 0.006 A 45 PRO HGx H 1 1.884 0.006 A 45 PRO CA C 13 60.280 0.162 A 45 PRO CB C 13 28.488 0.162 A 45 PRO CD C 13 48.392 0.162 A 45 PRO CG C 13 24.793 0.162 A 46 ILE H H 1 8.998 0.006 A 46 ILE HA H 1 4.023 0.006 A 46 ILE HB H 1 1.488 0.006 A 46 ILE HD1% H 1 0.601 0.006 A 46 ILE HG1y H 1 1.122 0.006 A 46 ILE HG1x H 1 0.931 0.006 A 46 ILE HG2% H 1 0.710 0.006 A 46 ILE CA C 13 58.609 0.162 A 46 ILE CB C 13 35.652 0.162 A 46 ILE CD1 C 13 9.172 0.162 A 46 ILE CG1 C 13 24.299 0.162 A 46 ILE CG2 C 13 14.527 0.162 A 46 ILE N N 15 124.607 0.121 A 47 SER H H 1 7.439 0.006 A 47 SER HA H 1 4.474 0.006 A 47 SER HBy H 1 3.628 0.006 A 47 SER HBx H 1 3.463 0.006 A 47 SER CA C 13 54.926 0.162 A 47 SER CB C 13 62.419 0.162 A 47 SER N N 15 112.826 0.121 A 48 PHE H H 1 8.238 0.006 A 48 PHE HA H 1 5.194 0.006 A 48 PHE HBy H 1 2.910 0.006 A 48 PHE HBx H 1 2.701 0.006 A 48 PHE HDx H 1 7.024 0.006 A 48 PHE HDy H 1 7.024 0.006 A 48 PHE HEx H 1 7.234 0.006 A 48 PHE HEy H 1 7.234 0.006 A 48 PHE CA C 13 55.624 0.162 A 48 PHE CB C 13 40.000 0.162 A 48 PHE CDx C 13 129.169 0.162 A 48 PHE CDy C 13 129.169 0.162 A 48 PHE CEx C 13 128.945 0.162 A 48 PHE CEy C 13 128.945 0.162 A 48 PHE CZ C 13 127.093 0.162 A 48 PHE N N 15 123.266 0.121 A 49 GLN H H 1 8.607 0.006 A 49 GLN HA H 1 4.935 0.006 A 49 GLN HBx H 1 1.982 0.006 A 49 GLN HBy H 1 2.196 0.006 A 49 GLN HE2x H 1 6.631 0.006 A 49 GLN HE2y H 1 7.358 0.006 A 49 GLN HGx H 1 2.196 0.006 A 49 GLN HGy H 1 2.445 0.006 A 49 GLN CA C 13 51.294 0.162 A 49 GLN CB C 13 29.688 0.162 A 49 GLN CG C 13 30.860 0.162 A 49 GLN N N 15 123.564 0.121 A 49 GLN NE2 N 15 112.984 0.121 A 50 MET H H 1 9.071 0.006 A 50 MET HA H 1 4.637 0.006 A 50 MET HBx H 1 1.614 0.006 A 50 MET HBy H 1 2.143 0.006 A 50 MET HE% H 1 2.004 0.006 A 50 MET HGy H 1 2.477 0.006 A 50 MET HGx H 1 2.372 0.006 A 50 MET CA C 13 51.562 0.162 A 50 MET CB C 13 33.549 0.162 A 50 MET CE C 13 14.550 0.162 A 50 MET CG C 13 30.158 0.162 A 50 MET N N 15 120.626 0.121 A 51 PHE HA H 1 4.928 0.006 A 51 PHE HBx H 1 2.795 0.006 A 51 PHE HBy H 1 3.387 0.006 A 51 PHE CA C 13 53.899 0.162 A 51 PHE CB C 13 38.018 0.162 A 51 PHE N N 15 112.996 0.121 A 52 ASP H H 1 8.469 0.006 A 52 ASP HA H 1 5.640 0.006 A 52 ASP HBx H 1 0.830 0.006 A 52 ASP HBy H 1 2.181 0.006 A 52 ASP CA C 13 50.264 0.162 A 52 ASP CB C 13 38.971 0.162 A 52 ASP N N 15 118.727 0.121 A 53 TYR H H 1 8.725 0.006 A 53 TYR HA H 1 6.351 0.006 A 53 TYR HBx H 1 2.924 0.006 A 53 TYR HBy H 1 2.924 0.006 A 53 TYR HDx H 1 6.370 0.006 A 53 TYR HDy H 1 6.370 0.006 A 53 TYR CA C 13 53.296 0.162 A 53 TYR CB C 13 40.764 0.162 A 53 TYR CDx C 13 127.264 0.162 A 53 TYR CDy C 13 127.264 0.162 A 53 TYR N N 15 115.709 0.121 A 54 LYS H H 1 8.972 0.006 A 54 LYS HA H 1 4.445 0.006 A 54 LYS HBx H 1 1.725 0.006 A 54 LYS HBy H 1 1.919 0.006 A 54 LYS HDx H 1 1.500 0.006 A 54 LYS HDy H 1 1.500 0.006 A 54 LYS HEx H 1 2.686 0.006 A 54 LYS HEy H 1 2.686 0.006 A 54 LYS HGy H 1 1.498 0.006 A 54 LYS HGx H 1 1.387 0.006 A 54 LYS CA C 13 52.187 0.162 A 54 LYS CB C 13 34.819 0.162 A 54 LYS CD C 13 26.846 0.162 A 54 LYS CE C 13 37.499 0.162 A 54 LYS CG C 13 22.694 0.162 A 54 LYS N N 15 118.766 0.121 A 55 ILE H H 1 8.832 0.006 A 55 ILE HA H 1 4.796 0.006 A 55 ILE HB H 1 1.911 0.006 A 55 ILE HD1% H 1 0.517 0.006 A 55 ILE HG1y H 1 1.375 0.006 A 55 ILE HG1x H 1 1.140 0.006 A 55 ILE HG2% H 1 0.575 0.006 A 55 ILE CA C 13 56.172 0.162 A 55 ILE CB C 13 33.404 0.162 A 55 ILE CD1 C 13 9.038 0.162 A 55 ILE CG1 C 13 24.427 0.162 A 55 ILE CG2 C 13 14.795 0.162 A 55 ILE N N 15 122.406 0.121 A 56 GLU H H 1 8.787 0.006 A 56 GLU HA H 1 4.575 0.006 A 56 GLU HBy H 1 1.921 0.006 A 56 GLU HBx H 1 1.693 0.006 A 56 GLU HGy H 1 2.054 0.006 A 56 GLU HGx H 1 1.965 0.006 A 56 GLU CA C 13 52.300 0.162 A 56 GLU CB C 13 30.432 0.162 A 56 GLU CG C 13 33.331 0.162 A 56 GLU N N 15 128.507 0.121 A 57 GLU H H 1 9.296 0.006 A 57 GLU HA H 1 3.809 0.006 A 57 GLU HBy H 1 2.067 0.006 A 57 GLU HBx H 1 1.863 0.006 A 57 GLU HGx H 1 2.128 0.006 A 57 GLU HGy H 1 2.149 0.006 A 57 GLU CA C 13 54.254 0.162 A 57 GLU CB C 13 25.445 0.162 A 57 GLU CG C 13 33.845 0.162 A 57 GLU N N 15 125.606 0.121 A 58 GLY H H 1 8.267 0.006 A 58 GLY HAx H 1 3.615 0.006 A 58 GLY HAy H 1 4.047 0.006 A 58 GLY CA C 13 43.401 0.162 A 58 GLY N N 15 103.913 0.121 A 59 ARG H H 1 7.840 0.006 A 59 ARG HA H 1 4.787 0.006 A 59 ARG HBx H 1 1.767 0.006 A 59 ARG HBy H 1 1.833 0.006 A 59 ARG HDx H 1 2.729 0.006 A 59 ARG HDy H 1 2.842 0.006 A 59 ARG HGy H 1 1.601 0.006 A 59 ARG HGx H 1 1.568 0.006 A 59 ARG CA C 13 51.812 0.162 A 59 ARG CB C 13 32.023 0.162 A 59 ARG CD C 13 41.653 0.162 A 59 ARG CG C 13 24.189 0.162 A 59 ARG N N 15 119.125 0.121 A 60 ILE H H 1 8.150 0.006 A 60 ILE HA H 1 4.409 0.006 A 60 ILE HB H 1 1.506 0.006 A 60 ILE HD1% H 1 0.220 0.006 A 60 ILE HG1y H 1 1.350 0.006 A 60 ILE HG1x H 1 0.339 0.006 A 60 ILE HG2% H 1 0.605 0.006 A 60 ILE CA C 13 58.461 0.162 A 60 ILE CB C 13 36.943 0.162 A 60 ILE CD1 C 13 11.603 0.162 A 60 ILE CG1 C 13 24.969 0.162 A 60 ILE CG2 C 13 16.145 0.162 A 60 ILE N N 15 118.464 0.121 A 61 TYR H H 1 9.304 0.006 A 61 TYR HA H 1 4.399 0.006 A 61 TYR HBy H 1 2.696 0.006 A 61 TYR HBx H 1 2.466 0.006 A 61 TYR HDx H 1 5.720 0.006 A 61 TYR HDy H 1 5.720 0.006 A 61 TYR HEx H 1 5.856 0.006 A 61 TYR HEy H 1 5.856 0.006 A 61 TYR CA C 13 53.435 0.162 A 61 TYR CB C 13 37.443 0.162 A 61 TYR CDx C 13 130.199 0.162 A 61 TYR CEx C 13 114.697 0.162 A 61 TYR N N 15 130.267 0.121 A 62 ILE H H 1 8.326 0.006 A 62 ILE HA H 1 4.035 0.006 A 62 ILE HB H 1 0.260 0.006 A 62 ILE HD1% H 1 -0.436 0.006 A 62 ILE HG1x H 1 0.318 0.006 A 62 ILE HG1y H 1 0.594 0.006 A 62 ILE HG2% H 1 -0.121 0.006 A 62 ILE CA C 13 55.538 0.162 A 62 ILE CB C 13 33.654 0.162 A 62 ILE CD1 C 13 7.276 0.162 A 62 ILE CG1 C 13 23.324 0.162 A 62 ILE CG2 C 13 14.164 0.162 A 62 ILE N N 15 129.152 0.121 A 63 TYR H H 1 8.397 0.006 A 63 TYR HA H 1 4.563 0.006 A 63 TYR HBy H 1 2.707 0.006 A 63 TYR HBx H 1 2.274 0.006 A 63 TYR HDx H 1 6.729 0.006 A 63 TYR HDy H 1 6.729 0.006 A 63 TYR HEx H 1 6.436 0.006 A 63 TYR HEy H 1 6.436 0.006 A 63 TYR CA C 13 52.035 0.162 A 63 TYR CB C 13 36.267 0.162 A 63 TYR CDx C 13 132.416 0.162 A 63 TYR CDy C 13 132.416 0.162 A 63 TYR CEx C 13 115.368 0.162 A 63 TYR CEy C 13 115.368 0.162 A 63 TYR N N 15 119.836 0.121 A 64 ASP H H 1 8.570 0.006 A 64 ASP HA H 1 4.270 0.006 A 64 ASP HBy H 1 2.906 0.006 A 64 ASP HBx H 1 2.556 0.006 A 64 ASP CA C 13 51.384 0.162 A 64 ASP CB C 13 35.510 0.162 A 64 ASP N N 15 117.747 0.121 A 65 VAL H H 1 8.116 0.006 A 65 VAL HA H 1 4.329 0.006 A 65 VAL HB H 1 1.837 0.006 A 65 VAL HGx% H 1 0.882 0.006 A 65 VAL HGy% H 1 0.734 0.006 A 65 VAL CA C 13 61.015 0.162 A 65 VAL CB C 13 29.350 0.162 A 65 VAL CGy C 13 20.813 0.162 A 65 VAL CGx C 13 20.629 0.162 A 65 VAL N N 15 117.619 0.121 A 66 TYR H H 1 8.911 0.006 A 66 TYR HA H 1 4.567 0.006 A 66 TYR HBx H 1 2.786 0.006 A 66 TYR HBy H 1 2.884 0.006 A 66 TYR HDx H 1 7.067 0.006 A 66 TYR HDy H 1 7.067 0.006 A 66 TYR HEx H 1 6.785 0.006 A 66 TYR HEy H 1 6.785 0.006 A 66 TYR CA C 13 53.116 0.162 A 66 TYR CB C 13 39.090 0.162 A 66 TYR CDx C 13 131.203 0.162 A 66 TYR CEx C 13 116.083 0.162 A 66 TYR N N 15 127.317 0.121 A 67 PRO HA H 1 3.778 0.006 A 67 PRO HBx H 1 1.749 0.006 A 67 PRO HBy H 1 1.875 0.006 A 67 PRO HDy H 1 3.826 0.006 A 67 PRO HDx H 1 3.407 0.006 A 67 PRO HGx H 1 1.751 0.006 A 67 PRO HGy H 1 1.823 0.006 A 67 PRO CA C 13 60.736 0.162 A 67 PRO CB C 13 32.039 0.162 A 67 PRO CD C 13 47.785 0.162 A 67 PRO CG C 13 22.072 0.162 A 68 ASP H H 1 8.017 0.006 A 68 ASP HA H 1 4.595 0.006 A 68 ASP HBx H 1 2.511 0.006 A 68 ASP HBy H 1 2.511 0.006 A 68 ASP CA C 13 51.405 0.162 A 68 ASP CB C 13 37.732 0.162 A 68 ASP N N 15 122.446 0.121 A 69 GLU H H 1 8.109 0.006 A 69 GLU HA H 1 4.167 0.006 A 69 GLU HBx H 1 1.929 0.006 A 69 GLU HBy H 1 1.929 0.006 A 69 GLU HGx H 1 2.190 0.006 A 69 GLU HGy H 1 2.266 0.006 A 69 GLU CA C 13 54.191 0.162 A 69 GLU CB C 13 27.200 0.162 A 69 GLU CG C 13 33.643 0.162 A 69 GLU N N 15 121.842 0.121 A 70 LYS H H 1 7.646 0.006 A 70 LYS HA H 1 4.532 0.006 A 70 LYS HBy H 1 1.819 0.006 A 70 LYS HBx H 1 1.423 0.006 A 70 LYS HDx H 1 1.596 0.006 A 70 LYS HDy H 1 1.596 0.006 A 70 LYS HEx H 1 2.818 0.006 A 70 LYS HEy H 1 2.818 0.006 A 70 LYS HGx H 1 1.334 0.006 A 70 LYS HGy H 1 1.371 0.006 A 70 LYS CA C 13 52.097 0.162 A 70 LYS CB C 13 33.247 0.162 A 70 LYS CD C 13 26.985 0.162 A 70 LYS CE C 13 39.700 0.162 A 70 LYS CG C 13 21.910 0.162 A 70 LYS N N 15 121.975 0.121 A 71 THR H H 1 8.258 0.006 A 71 THR HA H 1 4.386 0.006 A 71 THR HB H 1 4.058 0.006 A 71 THR HG2% H 1 1.392 0.006 A 71 THR CA C 13 58.759 0.162 A 71 THR CB C 13 66.724 0.162 A 71 THR CG2 C 13 19.314 0.162 A 71 THR N N 15 120.177 0.121 A 72 PRO HA H 1 4.389 0.006 A 72 PRO HBy H 1 2.113 0.006 A 72 PRO HBx H 1 1.735 0.006 A 72 PRO HDy H 1 4.054 0.006 A 72 PRO HDx H 1 3.660 0.006 A 72 PRO HGy H 1 2.121 0.006 A 72 PRO HGx H 1 1.991 0.006 A 72 PRO CA C 13 61.688 0.162 A 72 PRO CB C 13 31.440 0.162 A 72 PRO CD C 13 48.734 0.162 A 72 PRO CG C 13 25.976 0.162 A 73 TYR H H 1 7.988 0.006 A 73 TYR HA H 1 4.857 0.006 A 73 TYR HBx H 1 2.865 0.006 A 73 TYR HBy H 1 2.915 0.006 A 73 TYR HDx H 1 6.966 0.006 A 73 TYR HDy H 1 6.966 0.006 A 73 TYR HEx H 1 6.276 0.006 A 73 TYR HEy H 1 6.276 0.006 A 73 TYR CA C 13 52.643 0.162 A 73 TYR CB C 13 37.470 0.162 A 73 TYR CDy C 13 131.585 0.162 A 73 TYR CEy C 13 114.787 0.162 A 73 TYR N N 15 118.747 0.121 A 74 TYR H H 1 8.370 0.006 A 74 TYR HA H 1 5.548 0.006 A 74 TYR HBy H 1 2.675 0.006 A 74 TYR HBx H 1 2.488 0.006 A 74 TYR HDx H 1 6.903 0.006 A 74 TYR HDy H 1 6.903 0.006 A 74 TYR HEx H 1 6.577 0.006 A 74 TYR HEy H 1 6.577 0.006 A 74 TYR CA C 13 53.855 0.162 A 74 TYR CB C 13 39.316 0.162 A 74 TYR CDx C 13 130.474 0.162 A 74 TYR CDy C 13 130.474 0.162 A 74 TYR CEx C 13 115.745 0.162 A 74 TYR CEy C 13 115.745 0.162 A 74 TYR N N 15 114.692 0.121 A 75 LEU H H 1 9.467 0.006 A 75 LEU HA H 1 4.456 0.006 A 75 LEU HBy H 1 1.478 0.006 A 75 LEU HBx H 1 0.976 0.006 A 75 LEU HDx% H 1 0.401 0.006 A 75 LEU HDy% H 1 0.714 0.006 A 75 LEU HG H 1 1.292 0.006 A 75 LEU CA C 13 50.648 0.162 A 75 LEU CB C 13 41.979 0.162 A 75 LEU CDy C 13 22.275 0.162 A 75 LEU CDx C 13 20.359 0.162 A 75 LEU CG C 13 23.380 0.162 A 75 LEU N N 15 120.717 0.121 A 76 ASP H H 1 7.825 0.006 A 76 ASP HA H 1 5.041 0.006 A 76 ASP HBx H 1 2.360 0.006 A 76 ASP HBy H 1 2.525 0.006 A 76 ASP CA C 13 51.324 0.162 A 76 ASP CB C 13 39.376 0.162 A 76 ASP N N 15 123.675 0.121 A 77 CYS H H 1 8.504 0.006 A 77 CYS HA H 1 5.514 0.006 A 77 CYS HBy H 1 2.510 0.006 A 77 CYS HBx H 1 2.356 0.006 A 77 CYS CA C 13 53.205 0.162 A 77 CYS CB C 13 30.347 0.162 A 77 CYS N N 15 118.147 0.121 A 78 LYS H H 1 8.483 0.006 A 78 LYS HA H 1 4.398 0.006 A 78 LYS HBy H 1 1.018 0.006 A 78 LYS HBx H 1 0.643 0.006 A 78 LYS HDy H 1 0.970 0.006 A 78 LYS HDx H 1 0.894 0.006 A 78 LYS HEy H 1 2.507 0.006 A 78 LYS HEx H 1 2.480 0.006 A 78 LYS HGy H 1 0.970 0.006 A 78 LYS HGx H 1 0.888 0.006 A 78 LYS CA C 13 52.033 0.162 A 78 LYS CB C 13 33.618 0.162 A 78 LYS CD C 13 26.072 0.162 A 78 LYS CE C 13 39.403 0.162 A 78 LYS CG C 13 22.036 0.162 A 78 LYS N N 15 119.791 0.121 A 79 ILE H H 1 8.923 0.006 A 79 ILE HA H 1 5.410 0.006 A 79 ILE HB H 1 1.171 0.006 A 79 ILE HD1% H 1 0.586 0.006 A 79 ILE HG1x H 1 1.138 0.006 A 79 ILE HG1y H 1 1.493 0.006 A 79 ILE HG2% H 1 0.669 0.006 A 79 ILE CA C 13 56.581 0.162 A 79 ILE CB C 13 41.302 0.162 A 79 ILE CD1 C 13 12.673 0.162 A 79 ILE CG1 C 13 26.813 0.162 A 79 ILE CG2 C 13 13.204 0.162 A 79 ILE N N 15 122.179 0.121 A 80 SER H H 1 9.150 0.006 A 80 SER HA H 1 4.760 0.006 A 80 SER HBx H 1 3.187 0.006 A 80 SER HBy H 1 3.526 0.006 A 80 SER CB C 13 62.504 0.162 A 80 SER N N 15 122.640 0.121 A 81 GLY H H 1 8.832 0.006 A 81 GLY HAx H 1 3.843 0.006 A 81 GLY HAy H 1 4.095 0.006 A 81 GLY CA C 13 44.910 0.162 A 81 GLY N N 15 111.781 0.121 A 82 THR H H 1 8.284 0.006 A 82 THR HA H 1 4.541 0.006 A 82 THR HG2% H 1 1.151 0.006 A 82 THR CA C 13 58.833 0.162 A 82 THR CG2 C 13 19.028 0.162 A 82 THR N N 15 110.902 0.121 A 83 THR H H 1 8.178 0.006 A 83 THR HA H 1 5.576 0.006 A 83 THR HB H 1 4.119 0.006 A 83 THR HG2% H 1 1.346 0.006 A 83 THR CA C 13 59.711 0.162 A 83 THR CB C 13 68.486 0.162 A 83 THR CG2 C 13 19.768 0.162 A 83 THR N N 15 119.808 0.121 A 84 LEU H H 1 9.103 0.006 A 84 LEU HA H 1 4.787 0.006 A 84 LEU HBy H 1 0.973 0.006 A 84 LEU HBx H 1 -0.224 0.006 A 84 LEU HDx% H 1 0.065 0.006 A 84 LEU HDy% H 1 -0.637 0.006 A 84 LEU HG H 1 0.690 0.006 A 84 LEU CA C 13 50.979 0.162 A 84 LEU CB C 13 43.114 0.162 A 84 LEU CDx C 13 20.221 0.162 A 84 LEU CDy C 13 22.440 0.162 A 84 LEU CG C 13 24.380 0.162 A 84 LEU N N 15 128.946 0.121 A 85 LYS H H 1 9.336 0.006 A 85 LYS HA H 1 5.220 0.006 A 85 LYS HBx H 1 1.382 0.006 A 85 LYS HBy H 1 1.433 0.006 A 85 LYS HDy H 1 1.450 0.006 A 85 LYS HDx H 1 1.309 0.006 A 85 LYS HEy H 1 2.713 0.006 A 85 LYS HEx H 1 2.610 0.006 A 85 LYS HGy H 1 1.245 0.006 A 85 LYS HGx H 1 0.926 0.006 A 85 LYS CA C 13 52.028 0.162 A 85 LYS CB C 13 32.656 0.162 A 85 LYS CD C 13 27.209 0.162 A 85 LYS CE C 13 39.426 0.162 A 85 LYS CG C 13 22.897 0.162 A 85 LYS N N 15 129.439 0.121 A 86 VAL H H 1 9.122 0.006 A 86 VAL HA H 1 4.279 0.006 A 86 VAL HB H 1 2.278 0.006 A 86 VAL HGx% H 1 0.915 0.006 A 86 VAL HGy% H 1 0.514 0.006 A 86 VAL CA C 13 59.179 0.162 A 86 VAL CB C 13 29.826 0.162 A 86 VAL CGy C 13 20.304 0.162 A 86 VAL CGx C 13 18.557 0.162 A 86 VAL N N 15 127.719 0.121 A 87 GLU H H 1 8.960 0.006 A 87 GLU HA H 1 4.215 0.006 A 87 GLU HBx H 1 1.726 0.006 A 87 GLU HBy H 1 2.097 0.006 A 87 GLU HGx H 1 1.873 0.006 A 87 GLU HGy H 1 2.026 0.006 A 87 GLU CA C 13 55.427 0.162 A 87 GLU CB C 13 29.038 0.162 A 87 GLU CG C 13 33.627 0.162 A 87 GLU N N 15 126.504 0.121 A 88 THR H H 1 7.079 0.006 A 88 THR HA H 1 4.560 0.006 A 88 THR HB H 1 4.196 0.006 A 88 THR HG2% H 1 1.200 0.006 A 88 THR CA C 13 57.802 0.162 A 88 THR CB C 13 69.805 0.162 A 88 THR CG2 C 13 19.800 0.162 A 88 THR N N 15 109.146 0.121 A 89 GLY H H 1 7.984 0.006 A 89 GLY HAx H 1 3.723 0.006 A 89 GLY HAy H 1 4.140 0.006 A 89 GLY CA C 13 42.083 0.162 A 89 GLY N N 15 102.665 0.121 A 90 SER H H 1 8.854 0.006 A 90 SER HA H 1 4.103 0.006 A 90 SER HBy H 1 3.768 0.006 A 90 SER HBx H 1 3.632 0.006 A 90 SER CA C 13 58.840 0.162 A 90 SER CB C 13 60.079 0.162 A 90 SER N N 15 118.973 0.121 A 91 GLU H H 1 10.220 0.006 A 91 GLU HA H 1 3.676 0.006 A 91 GLU HBy H 1 1.706 0.006 A 91 GLU HBx H 1 1.430 0.006 A 91 GLU HGy H 1 1.445 0.006 A 91 GLU HGx H 1 -0.096 0.006 A 91 GLU CA C 13 54.571 0.162 A 91 GLU CB C 13 26.627 0.162 A 91 GLU CG C 13 32.307 0.162 A 91 GLU N N 15 120.699 0.121 A 92 ALA H H 1 7.014 0.006 A 92 ALA HA H 1 3.691 0.006 A 92 ALA HB% H 1 1.082 0.006 A 92 ALA CA C 13 50.916 0.162 A 92 ALA CB C 13 16.118 0.162 A 92 ALA N N 15 121.411 0.121 A 93 GLY H H 1 8.706 0.006 A 93 GLY HAx H 1 3.891 0.006 A 93 GLY HAy H 1 3.940 0.006 A 93 GLY CA C 13 42.601 0.162 A 93 GLY N N 15 109.056 0.121 A 94 THR H H 1 8.637 0.006 A 94 THR HA H 1 4.831 0.006 A 94 THR HB H 1 4.514 0.006 A 94 THR HG2% H 1 0.404 0.006 A 94 THR CA C 13 60.491 0.162 A 94 THR CB C 13 66.403 0.162 A 94 THR CG2 C 13 17.228 0.162 A 94 THR N N 15 117.255 0.121 A 95 TYR H H 1 10.060 0.006 A 95 TYR HA H 1 4.564 0.006 A 95 TYR HBx H 1 3.089 0.006 A 95 TYR HBy H 1 3.416 0.006 A 95 TYR HDx H 1 6.981 0.006 A 95 TYR HDy H 1 6.981 0.006 A 95 TYR HEx H 1 7.034 0.006 A 95 TYR HEy H 1 7.034 0.006 A 95 TYR CA C 13 53.889 0.162 A 95 TYR CB C 13 39.733 0.162 A 95 TYR CDx C 13 131.177 0.162 A 95 TYR CEx C 13 116.901 0.162 A 95 TYR N N 15 127.051 0.121 A 96 LYS H H 1 8.960 0.006 A 96 LYS HA H 1 5.668 0.006 A 96 LYS HBx H 1 1.903 0.006 A 96 LYS HBy H 1 1.903 0.006 A 96 LYS HDy H 1 1.798 0.006 A 96 LYS HDx H 1 1.709 0.006 A 96 LYS HEx H 1 2.970 0.006 A 96 LYS HEy H 1 2.970 0.006 A 96 LYS HGx H 1 1.570 0.006 A 96 LYS HGy H 1 1.570 0.006 A 96 LYS CA C 13 50.781 0.162 A 96 LYS CB C 13 31.840 0.162 A 96 LYS CD C 13 25.950 0.162 A 96 LYS CE C 13 39.657 0.162 A 96 LYS CG C 13 22.005 0.162 A 96 LYS N N 15 119.487 0.121 A 97 LYS H H 1 8.729 0.006 A 97 LYS HA H 1 3.701 0.006 A 97 LYS HBx H 1 0.960 0.006 A 97 LYS HBy H 1 1.342 0.006 A 97 LYS HDx H 1 1.148 0.006 A 97 LYS HDy H 1 1.148 0.006 A 97 LYS HEx H 1 2.658 0.006 A 97 LYS HEy H 1 2.658 0.006 A 97 LYS HGx H 1 -0.201 0.006 A 97 LYS HGy H 1 0.890 0.006 A 97 LYS CA C 13 55.022 0.162 A 97 LYS CB C 13 30.744 0.162 A 97 LYS CD C 13 26.745 0.162 A 97 LYS CE C 13 40.195 0.162 A 97 LYS CG C 13 22.580 0.162 A 97 LYS N N 15 128.866 0.121 A 98 GLN H H 1 8.992 0.006 A 98 GLN HA H 1 4.244 0.006 A 98 GLN HBx H 1 1.819 0.006 A 98 GLN HBy H 1 2.050 0.006 A 98 GLN HE2x H 1 6.901 0.006 A 98 GLN HE2y H 1 7.149 0.006 A 98 GLN HGx H 1 2.234 0.006 A 98 GLN HGy H 1 2.234 0.006 A 98 GLN CA C 13 52.689 0.162 A 98 GLN CB C 13 28.065 0.162 A 98 GLN CG C 13 31.742 0.162 A 98 GLN N N 15 127.056 0.121 A 98 GLN NE2 N 15 113.603 0.121 A 99 LYS H H 1 7.888 0.006 A 99 LYS HA H 1 4.020 0.006 A 99 LYS HBy H 1 1.715 0.006 A 99 LYS HBx H 1 1.627 0.006 A 99 LYS HDx H 1 1.496 0.006 A 99 LYS HDy H 1 1.496 0.006 A 99 LYS HEx H 1 2.755 0.006 A 99 LYS HEy H 1 2.755 0.006 A 99 LYS HGx H 1 1.252 0.006 A 99 LYS HGy H 1 1.252 0.006 A 99 LYS CA C 13 55.137 0.162 A 99 LYS CB C 13 31.233 0.162 A 99 LYS CD C 13 26.806 0.162 A 99 LYS CE C 13 39.526 0.162 A 99 LYS CG C 13 22.220 0.162 A 99 LYS N N 15 126.828 0.121 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 60 ILE HB A 61 TYR H 1.0 . 5.04 2 2 A 61 TYR H A 54 LYS H 1.0 . 3.85 3 3 A 61 TYR H A 74 TYR HE% 1.0 . 5.46 4 4 A 61 TYR H A 53 TYR HA 1.0 . 4.89 5 5 A 61 TYR H A 61 TYR HD% 1.0 . 4.74 6 6 A 61 TYR H A 55 ILE HA 1.0 . 4.51 7 7 A 61 TYR H A 61 TYR HBy 1.0 . 3.46 8 8 A 61 TYR H A 62 ILE H 1.0 . 5.06 9 9 A 61 TYR H A 74 TYR HD% 1.0 . 5.46 10 10 A 84 LEU HDy% A 85 LYS H 1.0 . 5.48 11 11 A 85 LYS H A 77 CYS HBy 1.0 . 5.40 12 12 A 85 LYS H A 85 LYS HBy 1.0 . 3.42 13 13 A 85 LYS H A 84 LEU HBy 1.0 . 4.73 14 14 A 85 LYS H A 84 LEU HBx 1.0 . 4.69 15 15 A 62 ILE H A 75 LEU H 1.0 . 5.30 16 16 A 62 ILE H A 74 TYR HA 1.0 . 4.16 17 17 A 62 ILE H A 61 TYR HBx 1.0 . 4.69 18 18 A 62 ILE H A 62 ILE HD1% 1.0 . 5.09 19 19 A 61 TYR HBy A 62 ILE H 1.0 . 5.03 20 20 A 62 ILE H A 62 ILE HG1y 1.0 . 3.86 21 21 A 62 ILE H A 62 ILE HG2% 1.0 . 4.80 22 22 A 4 TRP HE1 A 85 LYS HDx 1.0 . 4.44 23 23 A 84 LEU H A 95 TYR HA 1.0 . 5.34 24 24 A 84 LEU H A 83 THR HB 1.0 . 4.63 25 25 A 84 LEU H A 95 TYR HBy 1.0 . 4.21 26 26 A 84 LEU H A 95 TYR HBx 1.0 . 4.97 27 27 A 84 LEU HBy A 84 LEU H 1.0 . 3.56 28 28 A 84 LEU H A 84 LEU HDx% 1.0 . 5.43 29 29 A 84 LEU HBx A 84 LEU H 1.0 . 3.82 30 30 A 84 LEU H A 83 THR H 1.0 . 5.26 31 31 A 27 LEU H A 27 LEU HDy% 1.0 . 5.50 32 32 A 27 LEU H A 16 TRP HBx 1.0 . 4.59 33 33 A 27 LEU H A 26 LEU HBy 1.0 . 5.09 34 34 A 27 LEU H A 26 LEU HBx 1.0 . 4.50 35 35 A 82 THR HA A 97 LYS H 1.0 . 5.04 36 36 A 54 LYS H A 56 GLU H 1.0 . 5.30 37 37 A 56 GLU H A 55 ILE HG1y 1.0 . 5.38 38 38 A 56 GLU H A 57 GLU H 1.0 . 4.25 39 39 A 56 GLU H A 58 GLY H 1.0 . 5.13 40 40 A 56 GLU H A 56 GLU HBy 1.0 . 3.60 41 41 A 56 GLU H A 55 ILE HG2% 1.0 . 3.73 42 42 A 15 TYR HA A 16 TRP HE1 1.0 . 5.50 43 43 A 16 TRP HE1 A 14 GLY H 1.0 . 4.76 44 44 A 16 TRP HE1 A 12 ILE HA 1.0 . 4.12 45 45 A 16 TRP HE1 A 12 ILE HG1y 1.0 . 5.50 46 46 A 84 LEU HDy% A 16 TRP HE1 1.0 . 5.32 47 47 A 16 TRP HE1 A 12 ILE HG2% 1.0 . 5.50 48 48 A 16 TRP HE1 A 28 SER HA 1.0 . 5.50 49 49 A 86 VAL H A 95 TYR H 1.0 . 4.79 50 50 A 86 VAL H A 95 TYR HD% 1.0 . 4.89 51 51 A 86 VAL H A 94 THR HA 1.0 . 4.10 52 52 A 86 VAL H A 92 ALA HA 1.0 . 4.44 53 53 A 86 VAL H A 85 LYS HGy 1.0 . 4.63 54 54 A 86 VAL H A 85 LYS HGx 1.0 . 4.03 55 55 A 86 VAL H A 84 LEU HG 1.0 . 5.50 56 56 A 51 PHE HBy A 66 TYR H 1.0 . 5.50 57 57 A 66 TYR H A 51 PHE HA 1.0 . 4.56 58 58 A 66 TYR H A 49 GLN HBx 1.0 . 5.50 59 59 A 66 TYR H A 67 PRO HA 1.0 . 5.43 60 60 A 30 ASP H A 31 GLU H 1.0 . 4.67 61 61 A 31 GLU H A 31 GLU HGx 1.0 . 5.30 62 62 A 84 LEU H A 95 TYR H 1.0 . 3.82 63 63 A 95 TYR H A 96 LYS H 1.0 . 4.97 64 64 A 95 TYR H A 95 TYR HD% 1.0 . 3.67 65 65 A 95 TYR H A 94 THR HA 1.0 . 2.98 66 66 A 95 TYR HBy A 95 TYR H 1.0 . 3.72 67 67 A 84 LEU HBy A 95 TYR H 1.0 . 4.55 68 68 A 84 LEU HDy% A 95 TYR H 1.0 . 5.50 69 69 A 7 LEU H A 58 GLY HAx 1.0 . 4.88 70 70 A 7 LEU H A 7 LEU HBx 1.0 . 3.03 71 71 A 7 LEU H A 79 ILE HG2% 1.0 . 4.60 72 72 A 98 GLN H A 99 LYS H 1.0 . 5.27 73 73 A 7 LEU H A 8 ASN H 1.0 . 5.01 74 74 A 76 ASP H A 87 GLU H 1.0 . 5.06 75 75 A 86 VAL H A 87 GLU H 1.0 . 4.84 76 76 A 87 GLU H A 77 CYS H 1.0 . 5.00 77 77 A 25 LYS H A 26 LEU H 1.0 . 4.79 78 78 A 26 LEU H A 24 HIS HD2 1.0 . 4.88 79 79 A 26 LEU H A 39 ILE HA 1.0 . 4.65 80 80 A 26 LEU H A 38 GLY HAx 1.0 . 5.32 81 81 A 26 LEU H A 25 LYS HBy 1.0 . 3.96 82 82 A 26 LEU H A 26 LEU HDy% 1.0 . 5.31 83 83 A 24 HIS H A 40 TYR H 1.0 . 3.88 84 84 A 40 TYR H A 25 LYS HA 1.0 . 4.26 85 85 A 40 TYR H A 23 THR HA 1.0 . 4.95 86 86 A 40 TYR H A 40 TYR HBy 1.0 . 4.05 87 87 A 40 TYR H A 40 TYR HBx 1.0 . 3.52 88 88 A 57 GLU H A 56 GLU HA 1.0 . 2.82 89 89 A 57 GLU H A 56 GLU HBx 1.0 . 4.51 90 90 A 42 ASN HD2y A 43 ALA H 1.0 . 5.27 91 91 A 43 ALA H A 42 ASN HBy 1.0 . 3.40 92 92 A 23 THR H A 23 THR HG2% 1.0 . 4.88 93 93 A 40 TYR HD% A 46 ILE H 1.0 . 5.22 94 94 A 46 ILE H A 40 TYR HA 1.0 . 3.66 95 95 A 46 ILE H A 47 SER HA 1.0 . 5.47 96 96 A 40 TYR HBy A 46 ILE H 1.0 . 5.50 97 97 A 46 ILE H A 46 ILE HG1y 1.0 . 4.59 98 98 A 23 THR H A 22 GLY HAy 1.0 . 3.02 99 99 A 16 TRP H A 26 LEU HA 1.0 . 5.50 100 100 A 16 TRP H A 26 LEU HG 1.0 . 5.50 101 101 A 16 TRP H A 26 LEU HDx% 1.0 . 5.31 102 102 A 43 ALA H A 42 ASN H 1.0 . 5.14 103 103 A 42 ASN H A 22 GLY HAx 1.0 . 5.50 104 104 A 30 ASP H A 36 SER H 1.0 . 5.50 105 105 A 30 ASP H A 29 PHE HD% 1.0 . 5.14 106 106 A 30 ASP H A 35 GLY HAy 1.0 . 4.32 107 107 A 30 ASP H A 35 GLY HAx 1.0 . 4.54 108 108 A 76 ASP H A 77 CYS HA 1.0 . 5.50 109 109 A 76 ASP H A 75 LEU HDx% 1.0 . 5.50 110 110 A 75 LEU H A 76 ASP H 1.0 . 5.03 111 111 A 37 PHE H A 49 GLN H 1.0 . 3.78 112 112 A 49 GLN H A 38 GLY HAy 1.0 . 4.50 113 113 A 49 GLN H A 49 GLN HGx 1.0 . 4.04 114 114 A 76 ASP H A 88 THR HB 1.0 . 4.62 115 115 A 76 ASP H A 76 ASP HBy 1.0 . 3.74 116 116 A 76 ASP H A 76 ASP HBx 1.0 . 3.30 117 117 A 76 ASP H A 75 LEU HBx 1.0 . 3.90 118 118 A 49 GLN H A 50 MET H 1.0 . 5.22 119 119 A 47 SER HBy A 48 PHE H 1.0 . 3.53 120 120 A 48 PHE H A 47 SER HBx 1.0 . 4.00 121 121 A 49 GLN H A 48 PHE H 1.0 . 5.31 122 122 A 48 PHE H A 47 SER H 1.0 . 4.75 123 123 A 48 PHE H A 48 PHE HD% 1.0 . 5.08 124 124 A 48 PHE H A 48 PHE HBx 1.0 . 3.64 125 125 A 48 PHE H A 49 GLN HBy 1.0 . 5.50 126 126 A 24 HIS H A 40 TYR HBy 1.0 . 5.50 127 127 A 24 HIS H A 23 THR HB 1.0 . 4.89 128 128 A 85 LYS H A 80 SER H 1.0 . 5.23 129 129 A 83 THR H A 80 SER H 1.0 . 4.38 130 130 A 83 THR HB A 80 SER H 1.0 . 4.65 131 131 A 79 ILE HG2% A 80 SER H 1.0 . 4.99 132 132 A 84 LEU HDx% A 80 SER H 1.0 . 5.50 133 133 A 54 LYS H A 55 ILE H 1.0 . 4.75 134 134 A 55 ILE H A 55 ILE HB 1.0 . 2.95 135 135 A 55 ILE HG2% A 55 ILE H 1.0 . 4.14 136 136 A 66 TYR HD% A 68 ASP H 1.0 . 5.50 137 137 A 68 ASP H A 67 PRO HDy 1.0 . 3.67 138 138 A 68 ASP H A 67 PRO HGx 1.0 . 3.69 139 139 A 68 ASP H A 65 VAL HGx% 1.0 . 4.74 140 140 A 84 LEU HDx% A 79 ILE H 1.0 . 5.50 141 141 A 79 ILE H A 5 THR H 1.0 . 4.22 142 142 A 79 ILE H A 4 TRP HE3 1.0 . 4.32 143 143 A 79 ILE H A 79 ILE HB 1.0 . 3.80 144 144 A 79 ILE H A 78 LYS HBy 1.0 . 3.78 145 145 A 3 ASP H A 4 TRP H 1.0 . 4.09 146 146 A 3 ASP H A 4 TRP HD1 1.0 . 5.49 147 147 A 3 ASP H A 3 ASP HBy 1.0 . 3.75 148 148 A 3 ASP H A 3 ASP HBx 1.0 . 3.34 149 149 A 3 ASP H A 2 GLU HBx 1.0 . 4.14 150 150 A 65 VAL H A 70 LYS H 1.0 . 4.06 151 151 A 70 LYS H A 68 ASP HBx 1.0 . 5.50 152 151 A 70 LYS H A 68 ASP HBy 1.0 . 5.50 153 152 A 70 LYS H A 65 VAL HB 1.0 . 3.25 154 153 A 70 LYS H A 70 LYS HGy 1.0 . 3.39 155 154 A 70 LYS H A 69 GLU H 1.0 . 4.55 156 155 A 69 GLU H A 68 ASP HBx 1.0 . 3.66 157 155 A 68 ASP HBy A 69 GLU H 1.0 . 3.66 158 156 A 69 GLU H A 69 GLU HGy 1.0 . 3.78 159 157 A 69 GLU H A 70 LYS HGx 1.0 . 5.50 160 158 A 65 VAL HGx% A 69 GLU H 1.0 . 5.50 161 159 A 8 ASN H A 11 ASN H 1.0 . 4.01 162 160 A 8 ASN H A 11 ASN HD2y 1.0 . 4.54 163 161 A 8 ASN H A 11 ASN HD2x 1.0 . 3.91 164 162 A 8 ASN H A 7 LEU HG 1.0 . 3.98 165 163 A 11 ASN HD2x A 6 GLU H 1.0 . 5.50 166 164 A 79 ILE HG2% A 6 GLU H 1.0 . 5.50 167 165 A 4 TRP HE1 A 4 TRP H 1.0 . 5.50 168 166 A 5 THR H A 4 TRP H 1.0 . 4.73 169 167 A 4 TRP H A 2 GLU HA 1.0 . 5.50 170 168 A 91 GLU H A 92 ALA H 1.0 . 3.29 171 169 A 92 ALA H A 90 SER H 1.0 . 4.58 172 170 A 92 ALA H A 89 GLY H 1.0 . 5.41 173 171 A 92 ALA H A 88 THR HA 1.0 . 5.50 174 172 A 92 ALA H A 90 SER HA 1.0 . 3.86 175 173 A 92 ALA H A 91 GLU HA 1.0 . 3.08 176 174 A 92 ALA H A 86 VAL HB 1.0 . 4.94 177 175 A 92 ALA H A 91 GLU HBy 1.0 . 4.29 178 176 A 92 ALA H A 91 GLU HBx 1.0 . 4.50 179 177 A 92 ALA H A 86 VAL HGx% 1.0 . 4.32 180 178 A 6 GLU H A 5 THR HA 1.0 . 2.95 181 179 A 6 GLU H A 6 GLU HGx 1.0 . 3.86 182 179 A 6 GLU H A 6 GLU HGy 1.0 . 3.86 183 180 A 7 LEU H A 6 GLU H 1.0 . 4.48 184 181 A 11 ASN HD2y A 6 GLU H 1.0 . 5.50 185 182 A 91 GLU H A 37 PHE HE% 1.0 . 5.46 186 183 A 91 GLU H A 90 SER H 1.0 . 3.20 187 184 A 91 GLU H A 89 GLY H 1.0 . 5.31 188 185 A 91 GLU H A 91 GLU HBy 1.0 . 3.32 189 186 A 91 GLU H A 91 GLU HBx 1.0 . 3.77 190 187 A 91 GLU H A 91 GLU HGx 1.0 . 4.20 191 188 A 74 TYR HD% A 75 LEU H 1.0 . 4.83 192 189 A 75 LEU H A 74 TYR HBy 1.0 . 4.55 193 190 A 75 LEU H A 74 TYR HBx 1.0 . 4.12 194 191 A 75 LEU H A 75 LEU HBy 1.0 . 3.56 195 192 A 75 LEU H A 74 TYR H 1.0 . 5.03 196 193 A 66 TYR H A 50 MET H 1.0 . 4.08 197 194 A 50 MET H A 67 PRO HDy 1.0 . 5.08 198 195 A 50 MET H A 49 GLN HBy 1.0 . 4.26 199 196 A 49 GLN HBx A 50 MET H 1.0 . 3.75 200 197 A 70 LYS H A 71 THR H 1.0 . 4.46 201 198 A 71 THR H A 73 TYR HD% 1.0 . 5.50 202 199 A 71 THR H A 72 PRO HDx 1.0 . 5.17 203 200 A 71 THR H A 70 LYS HBy 1.0 . 3.45 204 201 A 71 THR H A 71 THR HG2% 1.0 . 3.60 205 202 A 37 PHE H A 49 GLN HGx 1.0 . 4.97 206 203 A 37 PHE H A 49 GLN HE2x 1.0 . 5.50 207 204 A 37 PHE H A 37 PHE HD% 1.0 . 5.50 208 205 A 37 PHE H A 48 PHE HA 1.0 . 5.23 209 206 A 37 PHE H A 36 SER HA 1.0 . 3.25 210 207 A 37 PHE H A 36 SER HBy 1.0 . 3.30 211 208 A 37 PHE H A 37 PHE HBx 1.0 . 3.88 212 209 A 37 PHE H A 49 GLN HGy 1.0 . 5.33 213 210 A 36 SER H A 37 PHE H 1.0 . 5.09 214 211 A 25 LYS H A 17 SER HA 1.0 . 5.50 215 212 A 53 TYR HA A 63 TYR H 1.0 . 5.04 216 213 A 63 TYR H A 64 ASP HBy 1.0 . 5.13 217 214 A 63 TYR H A 62 ILE HB 1.0 . 5.50 218 215 A 51 PHE HBy A 63 TYR H 1.0 . 4.30 219 216 A 46 ILE H A 39 ILE H 1.0 . 4.50 220 217 A 40 TYR H A 39 ILE H 1.0 . 5.07 221 218 A 25 LYS HA A 39 ILE H 1.0 . 5.50 222 219 A 48 PHE HA A 39 ILE H 1.0 . 4.38 223 220 A 25 LYS H A 18 THR H 1.0 . 4.13 224 221 A 25 LYS H A 24 HIS HA 1.0 . 3.29 225 222 A 25 LYS H A 24 HIS HBy 1.0 . 3.64 226 223 A 25 LYS H A 25 LYS HBx 1.0 . 3.97 227 224 A 25 LYS H A 25 LYS HGy 1.0 . 4.54 228 225 A 85 LYS H A 78 LYS H 1.0 . 3.63 229 226 A 87 GLU H A 78 LYS H 1.0 . 4.40 230 227 A 85 LYS HBy A 78 LYS H 1.0 . 3.87 231 228 A 78 LYS H A 78 LYS HGy 1.0 . 3.88 232 229 A 78 LYS H A 78 LYS HBx 1.0 . 3.68 233 230 A 83 THR H A 79 ILE HA 1.0 . 5.48 234 231 A 83 THR H A 79 ILE HG1x 1.0 . 5.16 235 232 A 83 THR H A 16 TRP HZ3 1.0 . 5.50 236 233 A 47 SER H A 39 ILE H 1.0 . 3.84 237 234 A 19 GLY HAx A 21 GLU H 1.0 . 5.05 238 235 A 18 THR H A 17 SER HBx 1.0 . 5.10 239 235 A 18 THR H A 17 SER HBy 1.0 . 5.10 240 236 A 96 LYS H A 16 TRP HA 1.0 . 5.43 241 237 A 21 GLU H A 20 ILE H 1.0 . 3.18 242 238 A 21 GLU H A 20 ILE HB 1.0 . 4.74 243 239 A 21 GLU H A 20 ILE HG1y 1.0 . 4.87 244 240 A 21 GLU H A 20 ILE HG2% 1.0 . 4.93 245 241 A 30 ASP H A 32 ASP H 1.0 . 5.29 246 242 A 43 ALA HB% A 44 THR H 1.0 . 5.17 247 243 A 40 TYR HD% A 44 THR H 1.0 . 5.50 248 244 A 42 ASN HBy A 44 THR H 1.0 . 4.99 249 245 A 57 GLU H A 59 ARG H 1.0 . 4.80 250 246 A 56 GLU H A 59 ARG H 1.0 . 4.02 251 247 A 58 GLY H A 59 ARG H 1.0 . 3.42 252 248 A 74 TYR HD% A 59 ARG H 1.0 . 5.46 253 249 A 59 ARG H A 59 ARG HDy 1.0 . 5.50 254 250 A 59 ARG H A 59 ARG HDx 1.0 . 5.14 255 251 A 59 ARG H A 59 ARG HGy 1.0 . 3.60 256 252 A 32 ASP H A 13 ILE HD1% 1.0 . 5.50 257 253 A 31 GLU H A 32 ASP H 1.0 . 3.39 258 254 A 32 ASP H A 33 GLY H 1.0 . 3.40 259 255 A 32 ASP H A 30 ASP HA 1.0 . 4.60 260 256 A 32 ASP H A 30 ASP HBy 1.0 . 3.35 261 257 A 32 ASP H A 31 GLU HBx 1.0 . 3.76 262 257 A 32 ASP H A 31 GLU HBy 1.0 . 3.76 263 258 A 90 SER H A 90 SER HA 1.0 . 2.93 264 259 A 90 SER H A 89 GLY HAx 1.0 . 3.01 265 260 A 90 SER H A 91 GLU HBy 1.0 . 5.24 266 261 A 90 SER H A 75 LEU HDy% 1.0 . 5.21 267 262 A 11 ASN H A 11 ASN HD2x 1.0 . 4.45 268 263 A 11 ASN H A 7 LEU HA 1.0 . 5.30 269 264 A 11 ASN H A 10 ASN HBx 1.0 . 3.25 270 264 A 11 ASN H A 10 ASN HBy 1.0 . 3.25 271 265 A 40 TYR HA A 44 THR H 1.0 . 4.89 272 266 A 44 THR H A 42 ASN HBx 1.0 . 5.50 273 267 A 40 TYR HBy A 44 THR H 1.0 . 5.50 274 268 A 99 LYS H A 15 TYR H 1.0 . 5.50 275 269 A 54 LYS H A 53 TYR HBx 1.0 . 3.42 276 269 A 54 LYS H A 53 TYR HBy 1.0 . 3.42 277 270 A 54 LYS H A 54 LYS HGy 1.0 . 4.41 278 271 A 52 ASP H A 53 TYR H 1.0 . 5.32 279 272 A 52 ASP H A 51 PHE HBx 1.0 . 3.95 280 273 A 52 ASP H A 52 ASP HBx 1.0 . 3.78 281 274 A 62 ILE HG2% A 52 ASP H 1.0 . 5.19 282 275 A 62 ILE H A 73 TYR H 1.0 . 4.01 283 276 A 74 TYR HA A 73 TYR H 1.0 . 5.50 284 277 A 73 TYR H A 63 TYR HA 1.0 . 5.14 285 278 A 73 TYR H A 72 PRO HA 1.0 . 2.96 286 279 A 73 TYR H A 72 PRO HBy 1.0 . 4.03 287 280 A 73 TYR H A 72 PRO HBx 1.0 . 4.45 288 281 A 62 ILE HG2% A 73 TYR H 1.0 . 5.06 289 282 A 61 TYR HD% A 73 TYR H 1.0 . 5.46 290 283 A 75 LEU H A 60 ILE H 1.0 . 3.88 291 284 A 74 TYR HA A 60 ILE H 1.0 . 5.17 292 285 A 60 ILE H A 60 ILE HG1x 1.0 . 4.15 293 286 A 74 TYR HBx A 60 ILE H 1.0 . 5.20 294 287 A 59 ARG H A 60 ILE H 1.0 . 5.24 295 288 A 59 ARG HDx A 60 ILE H 1.0 . 5.50 296 289 A 60 ILE H A 59 ARG HBy 1.0 . 3.49 297 290 A 60 ILE HB A 60 ILE H 1.0 . 3.30 298 291 A 61 TYR H A 60 ILE H 1.0 . 4.84 299 292 A 60 ILE H A 76 ASP HA 1.0 . 5.14 300 293 A 11 ASN H A 13 ILE H 1.0 . 4.78 301 294 A 13 ILE H A 12 ILE HD1% 1.0 . 5.50 302 295 A 14 GLY H A 13 ILE H 1.0 . 4.59 303 296 A 13 ILE H A 16 TRP HZ2 1.0 . 5.50 304 297 A 13 ILE H A 10 ASN HA 1.0 . 4.56 305 298 A 76 ASP H A 77 CYS H 1.0 . 4.73 306 299 A 77 CYS H A 76 ASP HBy 1.0 . 3.58 307 300 A 77 CYS H A 78 LYS HGy 1.0 . 5.50 308 301 A 77 CYS H A 7 LEU HDy% 1.0 . 5.50 309 302 A 77 CYS H A 78 LYS HA 1.0 . 5.50 310 303 A 77 CYS H A 86 VAL HA 1.0 . 5.19 311 304 A 8 ASN H A 12 ILE H 1.0 . 4.38 312 305 A 11 ASN H A 12 ILE H 1.0 . 3.23 313 306 A 13 ILE H A 12 ILE H 1.0 . 3.42 314 307 A 12 ILE H A 11 ASN HBy 1.0 . 5.20 315 308 A 12 ILE H A 12 ILE HB 1.0 . 3.07 316 309 A 12 ILE HD1% A 12 ILE H 1.0 . 4.92 317 310 A 63 TYR HD% A 64 ASP H 1.0 . 4.35 318 311 A 64 ASP H A 65 VAL HGy% 1.0 . 5.50 319 312 A 5 THR H A 6 GLU H 1.0 . 4.46 320 313 A 5 THR H A 4 TRP HE3 1.0 . 4.25 321 314 A 5 THR H A 79 ILE HA 1.0 . 5.50 322 315 A 5 THR H A 4 TRP HA 1.0 . 2.79 323 316 A 5 THR H A 80 SER HBy 1.0 . 5.38 324 317 A 5 THR H A 4 TRP HBy 1.0 . 3.79 325 318 A 5 THR H A 80 SER HBx 1.0 . 5.00 326 319 A 79 ILE HG2% A 5 THR H 1.0 . 4.47 327 320 A 27 LEU H A 28 SER H 1.0 . 4.77 328 321 A 28 SER H A 37 PHE HA 1.0 . 4.44 329 322 A 28 SER H A 29 PHE HA 1.0 . 5.50 330 323 A 28 SER H A 37 PHE HBy 1.0 . 5.50 331 324 A 28 SER H A 27 LEU HDx% 1.0 . 4.75 332 325 A 28 SER H A 29 PHE H 1.0 . 5.50 333 326 A 28 SER H A 29 PHE HE% 1.0 . 4.86 334 327 A 28 SER H A 27 LEU HA 1.0 . 2.91 335 328 A 28 SER H A 28 SER HBx 1.0 . 3.76 336 329 A 65 VAL H A 64 ASP H 1.0 . 3.73 337 330 A 65 VAL H A 64 ASP HA 1.0 . 3.27 338 331 A 62 ILE HG2% A 65 VAL H 1.0 . 5.50 339 332 A 66 TYR H A 65 VAL H 1.0 . 5.50 340 333 A 8 ASN H A 10 ASN H 1.0 . 4.97 341 334 A 10 ASN H A 8 ASN HD2y 1.0 . 5.50 342 335 A 12 ILE H A 10 ASN H 1.0 . 4.49 343 336 A 10 ASN H A 8 ASN HA 1.0 . 5.50 344 337 A 10 ASN H A 10 ASN HBx 1.0 . 3.02 345 337 A 10 ASN HBy A 10 ASN H 1.0 . 3.02 346 338 A 15 TYR HA A 29 PHE H 1.0 . 4.53 347 339 A 16 TRP HE1 A 29 PHE H 1.0 . 5.35 348 340 A 30 ASP H A 29 PHE H 1.0 . 4.96 349 341 A 29 PHE H A 29 PHE HE% 1.0 . 5.50 350 342 A 29 PHE H A 28 SER HBx 1.0 . 3.74 351 343 A 29 PHE H A 29 PHE HBy 1.0 . 3.87 352 344 A 95 TYR H A 94 THR H 1.0 . 4.78 353 345 A 94 THR H A 85 LYS HA 1.0 . 5.50 354 346 A 94 THR H A 93 GLY HAy 1.0 . 2.76 355 347 A 8 ASN H A 8 ASN HD2y 1.0 . 5.50 356 348 A 8 ASN HD2y A 6 GLU HBx 1.0 . 5.50 357 348 A 8 ASN HD2y A 6 GLU HBy 1.0 . 5.50 358 349 A 8 ASN HBx A 8 ASN HD2x 1.0 . 3.80 359 350 A 8 ASN H A 8 ASN HD2x 1.0 . 5.50 360 351 A 11 ASN HD2y A 8 ASN HD2x 1.0 . 5.02 361 352 A 8 ASN HA A 8 ASN HD2x 1.0 . 5.50 362 353 A 8 ASN HD2y A 8 ASN HA 1.0 . 5.13 363 354 A 8 ASN HD2y A 6 GLU HGx 1.0 . 5.50 364 354 A 6 GLU HGy A 8 ASN HD2y 1.0 . 5.50 365 355 A 42 ASN HA A 42 ASN HD2x 1.0 . 5.50 366 356 A 42 ASN H A 42 ASN HD2x 1.0 . 5.50 367 357 A 96 LYS H A 17 SER H 1.0 . 3.71 368 358 A 17 SER H A 16 TRP HE3 1.0 . 4.56 369 359 A 95 TYR HA A 17 SER H 1.0 . 4.91 370 360 A 17 SER H A 16 TRP HBy 1.0 . 4.72 371 361 A 17 SER H A 96 LYS HBx 1.0 . 4.97 372 361 A 17 SER H A 96 LYS HBy 1.0 . 4.97 373 362 A 17 SER H A 98 GLN HE2y 1.0 . 5.14 374 363 A 17 SER H A 17 SER HBx 1.0 . 3.59 375 363 A 17 SER HBy A 17 SER H 1.0 . 3.59 376 364 A 95 TYR HBy A 17 SER H 1.0 . 5.50 377 365 A 95 TYR HBx A 17 SER H 1.0 . 4.21 378 366 A 26 LEU HDx% A 17 SER H 1.0 . 5.50 379 367 A 42 ASN HD2y A 22 GLY H 1.0 . 4.48 380 368 A 42 ASN HD2y A 42 ASN HA 1.0 . 5.32 381 369 A 42 ASN HD2y A 42 ASN HBy 1.0 . 3.54 382 370 A 42 ASN HD2y A 42 ASN HBx 1.0 . 4.08 383 371 A 22 GLY HAx A 42 ASN HD2x 1.0 . 4.95 384 372 A 53 TYR H A 52 ASP HBx 1.0 . 4.34 385 373 A 53 TYR H A 34 THR HA 1.0 . 4.01 386 374 A 53 TYR H A 53 TYR HBx 1.0 . 4.13 387 374 A 53 TYR HBy A 53 TYR H 1.0 . 4.13 388 375 A 53 TYR H A 52 ASP HBy 1.0 . 3.75 389 376 A 42 ASN HD2y A 42 ASN H 1.0 . 5.50 390 377 A 39 ILE H A 38 GLY H 1.0 . 5.02 391 378 A 38 GLY H A 39 ILE HG1y 1.0 . 5.45 392 379 A 26 LEU H A 38 GLY H 1.0 . 3.81 393 380 A 27 LEU HA A 38 GLY H 1.0 . 4.36 394 381 A 37 PHE HBx A 38 GLY H 1.0 . 5.26 395 382 A 26 LEU HBy A 38 GLY H 1.0 . 4.38 396 383 A 27 LEU HDy% A 38 GLY H 1.0 . 5.42 397 384 A 44 THR H A 41 SER H 1.0 . 4.25 398 385 A 40 TYR HD% A 41 SER H 1.0 . 4.85 399 386 A 40 TYR HA A 41 SER H 1.0 . 3.08 400 387 A 41 SER H A 41 SER HBy 1.0 . 3.50 401 388 A 46 ILE HG1y A 41 SER H 1.0 . 3.99 402 389 A 41 SER H A 44 THR HB 1.0 . 4.00 403 390 A 42 ASN H A 41 SER H 1.0 . 5.47 404 391 A 46 ILE H A 41 SER H 1.0 . 4.23 405 392 A 41 SER H A 41 SER HBx 1.0 . 3.82 406 393 A 23 THR HA A 41 SER H 1.0 . 5.50 407 394 A 40 TYR HBy A 41 SER H 1.0 . 3.79 408 395 A 41 SER H A 46 ILE HG2% 1.0 . 5.05 409 396 A 74 TYR HE% A 74 TYR H 1.0 . 5.46 410 397 A 74 TYR H A 73 TYR HBx 1.0 . 3.34 411 398 A 74 TYR HBy A 74 TYR H 1.0 . 3.60 412 399 A 14 GLY H A 29 PHE H 1.0 . 3.71 413 400 A 14 GLY H A 16 TRP HD1 1.0 . 5.41 414 401 A 14 GLY H A 29 PHE HD% 1.0 . 5.05 415 402 A 14 GLY H A 28 SER HA 1.0 . 5.00 416 403 A 14 GLY H A 30 ASP HA 1.0 . 5.19 417 404 A 14 GLY H A 29 PHE HBy 1.0 . 3.88 418 405 A 14 GLY H A 13 ILE HB 1.0 . 4.85 419 406 A 14 GLY H A 13 ILE HG1y 1.0 . 5.50 420 407 A 36 SER H A 28 SER H 1.0 . 3.20 421 408 A 36 SER H A 29 PHE HE% 1.0 . 4.42 422 409 A 36 SER H A 27 LEU HA 1.0 . 4.57 423 410 A 36 SER H A 35 GLY HAx 1.0 . 3.18 424 411 A 27 LEU HDy% A 36 SER H 1.0 . 5.50 425 412 A 9 SER HBx A 10 ASN HD2y 1.0 . 5.50 426 413 A 13 ILE HD1% A 10 ASN HD2y 1.0 . 5.50 427 414 A 10 ASN H A 10 ASN HD2y 1.0 . 4.71 428 415 A 10 ASN HA A 10 ASN HD2y 1.0 . 4.50 429 416 A 10 ASN HA A 10 ASN HD2x 1.0 . 5.22 430 417 A 62 ILE HG2% A 49 GLN HE2x 1.0 . 5.30 431 418 A 37 PHE HBy A 49 GLN HE2y 1.0 . 5.40 432 419 A 37 PHE HBx A 49 GLN HE2y 1.0 . 5.20 433 420 A 65 VAL HGy% A 49 GLN HE2y 1.0 . 5.50 434 421 A 62 ILE HG2% A 49 GLN HE2y 1.0 . 5.21 435 422 A 49 GLN HE2x A 37 PHE HD% 1.0 . 5.45 436 423 A 47 SER H A 46 ILE HG1x 1.0 . 4.78 437 424 A 46 ILE H A 47 SER H 1.0 . 2.97 438 425 A 40 TYR HA A 47 SER H 1.0 . 5.10 439 426 A 47 SER HBx A 47 SER H 1.0 . 4.00 440 427 A 47 SER H A 46 ILE HG2% 1.0 . 4.29 441 428 A 80 SER H A 81 GLY H 1.0 . 5.50 442 429 A 79 ILE HG1x A 81 GLY H 1.0 . 4.94 443 430 A 80 SER HBy A 81 GLY H 1.0 . 4.04 444 431 A 80 SER HBx A 81 GLY H 1.0 . 4.66 445 432 A 79 ILE HG2% A 81 GLY H 1.0 . 5.50 446 433 A 30 ASP H A 34 THR H 1.0 . 4.63 447 434 A 34 THR H A 52 ASP HA 1.0 . 5.42 448 435 A 80 SER HBy A 82 THR H 1.0 . 5.50 449 436 A 81 GLY H A 82 THR H 1.0 . 4.41 450 437 A 25 LYS H A 19 GLY H 1.0 . 5.19 451 438 A 20 ILE H A 19 GLY H 1.0 . 4.83 452 439 A 17 SER HA A 19 GLY H 1.0 . 4.66 453 440 A 24 HIS HBy A 19 GLY H 1.0 . 4.28 454 441 A 19 GLY H A 18 THR HG2% 1.0 . 5.48 455 442 A 42 ASN H A 22 GLY H 1.0 . 4.45 456 443 A 23 THR H A 22 GLY H 1.0 . 4.76 457 444 A 21 GLU H A 22 GLY H 1.0 . 4.86 458 445 A 42 ASN HD2x A 22 GLY H 1.0 . 4.52 459 446 A 22 GLY H A 21 GLU HBx 1.0 . 3.46 460 446 A 22 GLY H A 21 GLU HBy 1.0 . 3.46 461 447 A 8 ASN H A 9 SER H 1.0 . 5.02 462 448 A 10 ASN H A 9 SER H 1.0 . 3.46 463 449 A 8 ASN HD2y A 9 SER H 1.0 . 5.45 464 450 A 9 SER HBx A 9 SER H 1.0 . 3.19 465 451 A 9 SER H A 8 ASN HBy 1.0 . 3.02 466 452 A 8 ASN HBx A 9 SER H 1.0 . 3.44 467 453 A 9 SER H A 55 ILE HG1x 1.0 . 5.20 468 454 A 55 ILE HG2% A 9 SER H 1.0 . 4.52 469 455 A 77 CYS HA A 88 THR H 1.0 . 5.50 470 456 A 87 GLU H A 88 THR H 1.0 . 3.15 471 457 A 76 ASP H A 88 THR H 1.0 . 4.29 472 458 A 88 THR HB A 88 THR H 1.0 . 3.50 473 459 A 92 ALA HA A 88 THR H 1.0 . 4.89 474 460 A 88 THR H A 87 GLU HBx 1.0 . 3.82 475 461 A 88 THR H A 92 ALA HB% 1.0 . 4.34 476 462 A 75 LEU HDy% A 88 THR H 1.0 . 5.23 477 463 A 86 VAL H A 93 GLY H 1.0 . 3.64 478 464 A 92 ALA H A 93 GLY H 1.0 . 4.32 479 465 A 85 LYS HA A 93 GLY H 1.0 . 4.83 480 466 A 86 VAL HB A 93 GLY H 1.0 . 3.24 481 467 A 93 GLY H A 86 VAL HGy% 1.0 . 4.70 482 468 A 11 ASN H A 11 ASN HD2y 1.0 . 5.41 483 469 A 11 ASN HD2y A 8 ASN HD2y 1.0 . 5.50 484 470 A 11 ASN HD2y A 11 ASN HA 1.0 . 5.11 485 471 A 11 ASN HD2y A 7 LEU HA 1.0 . 4.38 486 472 A 11 ASN HD2x A 11 ASN HA 1.0 . 5.50 487 473 A 11 ASN HD2x A 8 ASN HD2y 1.0 . 5.50 488 474 A 30 ASP H A 35 GLY H 1.0 . 5.50 489 475 A 52 ASP HA A 35 GLY H 1.0 . 4.08 490 476 A 36 SER HA A 35 GLY H 1.0 . 5.46 491 477 A 35 GLY H A 34 THR HB 1.0 . 3.18 492 478 A 33 GLY H A 34 THR HA 1.0 . 5.50 493 479 A 33 GLY H A 31 GLU HBx 1.0 . 5.23 494 479 A 33 GLY H A 31 GLU HBy 1.0 . 5.23 495 480 A 33 GLY H A 34 THR HG2% 1.0 . 5.30 496 481 A 31 GLU H A 33 GLY H 1.0 . 5.02 497 482 A 30 ASP H A 33 GLY H 1.0 . 5.13 498 483 A 58 GLY H A 7 LEU HBy 1.0 . 5.45 499 484 A 55 ILE HA A 58 GLY H 1.0 . 5.50 500 485 A 58 GLY H A 57 GLU HBy 1.0 . 4.19 501 486 A 58 GLY H A 57 GLU HBx 1.0 . 4.30 502 487 A 58 GLY H A 7 LEU HDx% 1.0 . 5.50 503 488 A 57 GLU H A 58 GLY H 1.0 . 3.59 504 489 A 58 GLY H A 56 GLU HA 1.0 . 4.71 505 490 A 90 SER H A 89 GLY H 1.0 . 4.33 506 491 A 89 GLY H A 88 THR H 1.0 . 4.64 507 492 A 89 GLY H A 89 GLY HAx 1.0 . 2.95 508 493 A 89 GLY H A 75 LEU HDy% 1.0 . 5.49 509 494 A 82 THR H A 81 GLY HAy 1.0 . 3.52 510 495 A 79 ILE HG1x A 81 GLY HAx 1.0 . 4.34 511 496 A 81 GLY HAy A 82 THR HG2% 1.0 . 4.59 512 497 A 81 GLY HAx A 79 ILE HD1% 1.0 . 5.50 513 498 A 26 LEU HBy A 38 GLY HAx 1.0 . 4.90 514 499 A 29 PHE HD% A 27 LEU HBy 1.0 . 5.41 515 500 A 26 LEU HA A 27 LEU HBy 1.0 . 4.72 516 501 A 26 LEU HBy A 25 LYS HA 1.0 . 5.35 517 502 A 26 LEU HBy A 26 LEU H 1.0 . 3.60 518 503 A 26 LEU HBy A 40 TYR HE% 1.0 . 3.80 519 504 A 26 LEU HBx A 26 LEU H 1.0 . 3.57 520 505 A 26 LEU HBx A 38 GLY H 1.0 . 4.51 521 506 A 26 LEU HBx A 27 LEU HA 1.0 . 5.12 522 507 A 26 LEU HBx A 26 LEU HDx% 1.0 . 3.57 523 508 A 26 LEU HBx A 40 TYR HE% 1.0 . 3.85 524 509 A 28 SER H A 27 LEU HBy 1.0 . 4.71 525 510 A 16 TRP HD1 A 27 LEU HBy 1.0 . 4.67 526 511 A 27 LEU H A 27 LEU HBy 1.0 . 3.78 527 512 A 29 PHE HE% A 27 LEU HBy 1.0 . 4.12 528 513 A 16 TRP HBx A 27 LEU HBy 1.0 . 3.79 529 514 A 27 LEU HDy% A 27 LEU HBy 1.0 . 4.00 530 515 A 84 LEU HDy% A 27 LEU HBy 1.0 . 5.13 531 516 A 16 TRP HBx A 27 LEU HBx 1.0 . 3.88 532 517 A 27 LEU HDy% A 27 LEU HBx 1.0 . 3.92 533 518 A 27 LEU H A 27 LEU HBx 1.0 . 3.90 534 519 A 29 PHE HE% A 27 LEU HBx 1.0 . 3.95 535 520 A 29 PHE HD% A 27 LEU HBx 1.0 . 5.31 536 521 A 27 LEU HDx% A 27 LEU HBx 1.0 . 3.87 537 522 A 84 LEU HDy% A 27 LEU HBx 1.0 . 5.16 538 523 A 28 SER H A 27 LEU HBx 1.0 . 4.45 539 524 A 32 ASP H A 33 GLY HAy 1.0 . 4.99 540 525 A 34 THR HA A 33 GLY HAx 1.0 . 5.24 541 526 A 32 ASP H A 33 GLY HAx 1.0 . 5.38 542 527 A 23 THR H A 22 GLY HAx 1.0 . 3.52 543 528 A 23 THR HA A 22 GLY HAx 1.0 . 4.91 544 529 A 22 GLY HAx A 21 GLU HA 1.0 . 4.67 545 530 A 22 GLY HAy A 42 ASN HD2x 1.0 . 5.08 546 531 A 35 GLY HAx A 28 SER H 1.0 . 4.98 547 532 A 35 GLY HAx A 29 PHE HE% 1.0 . 5.35 548 533 A 58 GLY HAy A 6 GLU HGx 1.0 . 5.05 549 533 A 6 GLU HGy A 58 GLY HAy 1.0 . 5.05 550 534 A 36 SER H A 35 GLY HAy 1.0 . 3.26 551 535 A 35 GLY HAx A 29 PHE HA 1.0 . 3.80 552 536 A 84 LEU HBy A 95 TYR HD% 1.0 . 4.22 553 536 A 84 LEU HBy A 95 TYR HE% 1.0 . 4.22 554 537 A 84 LEU HBx A 95 TYR H 1.0 . 5.34 555 538 A 84 LEU HBx A 84 LEU HDx% 1.0 . 4.09 556 539 A 84 LEU HDy% A 84 LEU HBx 1.0 . 3.85 557 540 A 19 GLY HAx A 20 ILE HG1x 1.0 . 4.89 558 541 A 20 ILE H A 19 GLY HAy 1.0 . 3.33 559 542 A 20 ILE HG2% A 19 GLY HAy 1.0 . 4.44 560 543 A 21 GLU H A 19 GLY HAy 1.0 . 4.21 561 544 A 94 THR H A 93 GLY HAx 1.0 . 3.08 562 545 A 93 GLY HAx A 94 THR HG2% 1.0 . 4.13 563 546 A 92 ALA HB% A 93 GLY HAx 1.0 . 5.50 564 547 A 19 GLY HAx A 20 ILE H 1.0 . 3.26 565 548 A 19 GLY HAx A 18 THR HG2% 1.0 . 5.50 566 549 A 38 GLY HAy A 39 ILE H 1.0 . 3.21 567 550 A 38 GLY HAx A 49 GLN H 1.0 . 5.06 568 551 A 91 GLU H A 89 GLY HAy 1.0 . 3.94 569 552 A 90 SER H A 89 GLY HAy 1.0 . 3.23 570 553 A 92 ALA H A 89 GLY HAy 1.0 . 4.75 571 554 A 91 GLU H A 89 GLY HAx 1.0 . 4.16 572 555 A 38 GLY HAx A 39 ILE H 1.0 . 3.34 573 556 A 38 GLY HAx A 37 PHE HA 1.0 . 4.73 574 557 A 38 GLY HAx A 48 PHE HE% 1.0 . 5.50 575 558 A 75 LEU HBy A 60 ILE H 1.0 . 4.57 576 559 A 76 ASP H A 75 LEU HBy 1.0 . 4.62 577 560 A 75 LEU HBy A 60 ILE HD1% 1.0 . 5.14 578 561 A 75 LEU H A 75 LEU HBx 1.0 . 4.13 579 562 A 75 LEU HBx A 60 ILE H 1.0 . 4.74 580 563 A 75 LEU HDx% A 75 LEU HBx 1.0 . 3.90 581 564 A 75 LEU H A 59 ARG HDy 1.0 . 5.48 582 565 A 74 TYR HD% A 59 ARG HDx 1.0 . 5.14 583 566 A 13 ILE HG2% A 14 GLY HAy 1.0 . 5.04 584 567 A 74 TYR HD% A 59 ARG HDy 1.0 . 5.37 585 568 A 59 ARG HDy A 59 ARG HA 1.0 . 5.11 586 569 A 59 ARG HDy A 59 ARG HBx 1.0 . 3.60 587 570 A 59 ARG HDx A 59 ARG HBx 1.0 . 3.67 588 571 A 15 TYR H A 14 GLY HAy 1.0 . 3.38 589 572 A 15 TYR HA A 14 GLY HAy 1.0 . 4.81 590 573 A 13 ILE HG2% A 14 GLY HAx 1.0 . 4.77 591 574 A 15 TYR H A 14 GLY HAx 1.0 . 3.45 592 575 A 14 GLY HAx A 97 LYS HEx 1.0 . 4.55 593 575 A 14 GLY HAx A 97 LYS HEy 1.0 . 4.55 594 576 A 37 PHE H A 37 PHE HBy 1.0 . 4.13 595 577 A 49 GLN HGx A 37 PHE HBx 1.0 . 4.27 596 578 A 80 SER H A 79 ILE HB 1.0 . 4.22 597 579 A 79 ILE HB A 84 LEU HA 1.0 . 4.15 598 580 A 79 ILE HB A 7 LEU HDx% 1.0 . 4.62 599 581 A 91 GLU HGx A 37 PHE HBy 1.0 . 5.19 600 582 A 37 PHE HBy A 27 LEU HDx% 1.0 . 4.75 601 583 A 31 GLU H A 30 ASP HBy 1.0 . 3.35 602 584 A 30 ASP H A 30 ASP HBy 1.0 . 3.42 603 585 A 30 ASP HBy A 34 THR H 1.0 . 3.83 604 586 A 31 GLU H A 30 ASP HBx 1.0 . 3.96 605 587 A 30 ASP H A 30 ASP HBx 1.0 . 3.15 606 588 A 32 ASP H A 30 ASP HBx 1.0 . 3.87 607 589 A 34 THR H A 30 ASP HBx 1.0 . 3.94 608 590 A 37 PHE HBx A 49 GLN HGy 1.0 . 4.24 609 591 A 36 SER HA A 37 PHE HBx 1.0 . 4.63 610 592 A 49 GLN H A 37 PHE HBx 1.0 . 5.30 611 593 A 60 ILE HA A 53 TYR HBx 1.0 . 5.08 612 593 A 53 TYR HBy A 60 ILE HA 1.0 . 5.08 613 594 A 8 ASN H A 7 LEU HBy 1.0 . 4.09 614 595 A 7 LEU H A 7 LEU HBy 1.0 . 3.16 615 596 A 58 GLY HAx A 7 LEU HBy 1.0 . 4.39 616 597 A 7 LEU HDy% A 7 LEU HBy 1.0 . 3.65 617 598 A 7 LEU HBy A 7 LEU HDx% 1.0 . 3.64 618 599 A 7 LEU HBx A 11 ASN HD2x 1.0 . 5.47 619 600 A 7 LEU HBx A 7 LEU HDy% 1.0 . 3.58 620 601 A 7 LEU HBx A 7 LEU HDx% 1.0 . 3.61 621 602 A 7 LEU HBx A 6 GLU HBx 1.0 . 5.35 622 602 A 7 LEU HBx A 6 GLU HBy 1.0 . 5.35 623 603 A 7 LEU HBx A 58 GLY HAy 1.0 . 4.99 624 604 A 58 GLY HAx A 7 LEU HBx 1.0 . 4.38 625 605 A 97 LYS HDx A 97 LYS HEx 1.0 . 2.95 626 605 A 97 LYS HDy A 97 LYS HEx 1.0 . 2.95 627 605 A 97 LYS HEy A 97 LYS HDx 1.0 . 2.95 628 605 A 97 LYS HEy A 97 LYS HDy 1.0 . 2.95 629 606 A 97 LYS HGy A 97 LYS HEx 1.0 . 3.42 630 606 A 97 LYS HEy A 97 LYS HGy 1.0 . 3.42 631 607 A 97 LYS HGx A 97 LYS HEx 1.0 . 3.45 632 607 A 97 LYS HEy A 97 LYS HGx 1.0 . 3.45 633 608 A 25 LYS HGy A 25 LYS HEy 1.0 . 3.89 634 609 A 49 GLN H A 48 PHE HBx 1.0 . 4.50 635 610 A 16 TRP HE1 A 97 LYS HEx 1.0 . 4.88 636 610 A 16 TRP HE1 A 97 LYS HEy 1.0 . 4.88 637 611 A 16 TRP HH2 A 97 LYS HEx 1.0 . 4.06 638 611 A 97 LYS HEy A 16 TRP HH2 1.0 . 4.06 639 612 A 14 GLY HAy A 97 LYS HEx 1.0 . 3.60 640 612 A 14 GLY HAy A 97 LYS HEy 1.0 . 3.60 641 613 A 97 LYS HA A 97 LYS HEx 1.0 . 3.97 642 613 A 97 LYS HEy A 97 LYS HA 1.0 . 3.97 643 614 A 49 GLN H A 48 PHE HBy 1.0 . 4.36 644 615 A 48 PHE H A 48 PHE HBy 1.0 . 3.82 645 616 A 24 HIS H A 40 TYR HBx 1.0 . 4.67 646 617 A 24 HIS HD2 A 40 TYR HBx 1.0 . 5.29 647 618 A 95 TYR HBy A 96 LYS H 1.0 . 4.70 648 619 A 84 LEU HBy A 95 TYR HBx 1.0 . 4.04 649 620 A 95 TYR HBx A 95 TYR H 1.0 . 4.13 650 621 A 84 LEU HBx A 95 TYR HBx 1.0 . 4.85 651 622 A 70 LYS H A 70 LYS HEx 1.0 . 4.91 652 622 A 70 LYS H A 70 LYS HEy 1.0 . 4.91 653 623 A 95 TYR HBy A 94 THR HA 1.0 . 5.20 654 624 A 84 LEU HBx A 95 TYR HBy 1.0 . 4.16 655 625 A 95 TYR HBy A 16 TRP HA 1.0 . 4.97 656 626 A 84 LEU HBy A 95 TYR HBy 1.0 . 3.66 657 627 A 95 TYR HBy A 84 LEU HG 1.0 . 4.98 658 628 A 84 LEU HDy% A 95 TYR HBy 1.0 . 4.44 659 629 A 95 TYR HBx A 16 TRP HA 1.0 . 4.60 660 630 A 95 TYR HBx A 96 LYS H 1.0 . 4.19 661 631 A 96 LYS HEx A 96 LYS HGx 1.0 . 3.96 662 631 A 96 LYS HGy A 96 LYS HEx 1.0 . 3.96 663 631 A 96 LYS HGy A 96 LYS HEy 1.0 . 3.96 664 631 A 96 LYS HEy A 96 LYS HGx 1.0 . 3.96 665 632 A 70 LYS HEx A 70 LYS HGy 1.0 . 3.16 666 632 A 70 LYS HEy A 70 LYS HGy 1.0 . 3.16 667 632 A 70 LYS HGx A 70 LYS HEx 1.0 . 3.16 668 632 A 70 LYS HEy A 70 LYS HGx 1.0 . 3.16 669 633 A 73 TYR HE% A 70 LYS HEx 1.0 . 4.74 670 633 A 70 LYS HEy A 73 TYR HE% 1.0 . 4.74 671 634 A 96 LYS HA A 96 LYS HEx 1.0 . 5.09 672 634 A 96 LYS HEy A 96 LYS HA 1.0 . 5.09 673 635 A 85 LYS HGx A 85 LYS HEy 1.0 . 3.96 674 636 A 85 LYS HGx A 85 LYS HEx 1.0 . 3.91 675 637 A 87 GLU H A 76 ASP HBx 1.0 . 5.19 676 638 A 76 ASP HBx A 75 LEU HA 1.0 . 4.85 677 639 A 87 GLU H A 76 ASP HBy 1.0 . 4.63 678 640 A 76 ASP HBy A 87 GLU HBx 1.0 . 3.91 679 641 A 76 ASP HBy A 88 THR H 1.0 . 4.94 680 642 A 76 ASP HBy A 88 THR HG2% 1.0 . 4.22 681 643 A 74 TYR HBx A 74 TYR H 1.0 . 4.09 682 644 A 78 LYS HA A 78 LYS HEy 1.0 . 4.86 683 644 A 78 LYS HA A 78 LYS HEx 1.0 . 4.86 684 645 A 76 ASP HBx A 88 THR H 1.0 . 5.26 685 646 A 77 CYS H A 76 ASP HBx 1.0 . 4.53 686 647 A 76 ASP HBx A 87 GLU HBx 1.0 . 3.81 687 648 A 66 TYR H A 66 TYR HBy 1.0 . 3.91 688 649 A 4 TRP HE1 A 78 LYS HEy 1.0 . 5.44 689 649 A 4 TRP HE1 A 78 LYS HEx 1.0 . 5.44 690 650 A 16 TRP HE1 A 29 PHE HBy 1.0 . 4.85 691 651 A 30 ASP H A 29 PHE HBy 1.0 . 4.87 692 652 A 12 ILE HG2% A 29 PHE HBy 1.0 . 4.81 693 653 A 66 TYR HBy A 65 VAL HA 1.0 . 5.48 694 654 A 66 TYR H A 66 TYR HBx 1.0 . 3.75 695 655 A 30 ASP H A 29 PHE HBx 1.0 . 4.53 696 656 A 29 PHE HBx A 12 ILE HG1x 1.0 . 4.95 697 657 A 14 GLY H A 29 PHE HBx 1.0 . 4.30 698 658 A 12 ILE HG2% A 29 PHE HBx 1.0 . 4.51 699 659 A 12 ILE HG1y A 29 PHE HBx 1.0 . 4.63 700 660 A 52 ASP H A 52 ASP HBy 1.0 . 4.21 701 661 A 63 TYR HD% A 52 ASP HBy 1.0 . 5.36 702 662 A 52 ASP HBy A 63 TYR HE% 1.0 . 4.45 703 663 A 64 ASP HBy A 52 ASP HBy 1.0 . 5.33 704 664 A 99 LYS HA A 15 TYR HBx 1.0 . 5.46 705 664 A 15 TYR HBy A 99 LYS HA 1.0 . 5.46 706 665 A 51 PHE HBy A 62 ILE HA 1.0 . 5.19 707 666 A 10 ASN H A 8 ASN HBy 1.0 . 4.16 708 667 A 9 SER HBx A 8 ASN HBy 1.0 . 5.31 709 668 A 8 ASN HD2y A 8 ASN HBx 1.0 . 3.50 710 669 A 4 TRP H A 3 ASP HBy 1.0 . 4.24 711 670 A 4 TRP H A 3 ASP HBx 1.0 . 4.34 712 671 A 51 PHE HBy A 52 ASP H 1.0 . 3.44 713 672 A 51 PHE HBy A 65 VAL HA 1.0 . 4.31 714 673 A 8 ASN HD2y A 8 ASN HBy 1.0 . 3.74 715 674 A 55 ILE HG2% A 8 ASN HBy 1.0 . 5.23 716 675 A 51 PHE HBx A 65 VAL HGy% 1.0 . 4.12 717 676 A 16 TRP H A 15 TYR HBx 1.0 . 4.19 718 676 A 16 TRP H A 15 TYR HBy 1.0 . 4.19 719 677 A 15 TYR H A 15 TYR HBx 1.0 . 3.07 720 677 A 15 TYR H A 15 TYR HBy 1.0 . 3.07 721 678 A 15 TYR HBx A 99 LYS HGx 1.0 . 4.38 722 678 A 15 TYR HBy A 99 LYS HGx 1.0 . 4.38 723 678 A 99 LYS HGy A 15 TYR HBx 1.0 . 4.38 724 678 A 15 TYR HBy A 99 LYS HGy 1.0 . 4.38 725 679 A 99 LYS H A 15 TYR HBx 1.0 . 4.77 726 679 A 99 LYS H A 15 TYR HBy 1.0 . 4.77 727 680 A 98 GLN HA A 15 TYR HBx 1.0 . 5.09 728 680 A 15 TYR HBy A 98 GLN HA 1.0 . 5.09 729 681 A 13 ILE HD1% A 10 ASN HBx 1.0 . 4.84 730 681 A 13 ILE HD1% A 10 ASN HBy 1.0 . 4.84 731 682 A 10 ASN HD2x A 10 ASN HBx 1.0 . 3.92 732 682 A 10 ASN HBy A 10 ASN HD2x 1.0 . 3.92 733 683 A 10 ASN HD2y A 10 ASN HBx 1.0 . 3.65 734 683 A 10 ASN HBy A 10 ASN HD2y 1.0 . 3.65 735 684 A 10 ASN HA A 10 ASN HBx 1.0 . 2.76 736 684 A 10 ASN HBy A 10 ASN HA 1.0 . 2.76 737 685 A 68 ASP H A 68 ASP HBx 1.0 . 2.88 738 685 A 68 ASP H A 68 ASP HBy 1.0 . 2.88 739 686 A 68 ASP HA A 68 ASP HBx 1.0 . 2.73 740 686 A 68 ASP HBy A 68 ASP HA 1.0 . 2.73 741 687 A 68 ASP HBy A 70 LYS HGy 1.0 . 3.94 742 687 A 68 ASP HBx A 70 LYS HGy 1.0 . 3.94 743 687 A 70 LYS HGx A 68 ASP HBx 1.0 . 3.94 744 687 A 68 ASP HBy A 70 LYS HGx 1.0 . 3.94 745 688 A 65 VAL HGx% A 68 ASP HBx 1.0 . 4.42 746 688 A 65 VAL HGx% A 68 ASP HBy 1.0 . 4.42 747 689 A 20 ILE H A 20 ILE HB 1.0 . 4.08 748 690 A 74 TYR H A 73 TYR HBy 1.0 . 3.55 749 691 A 61 TYR HBx A 54 LYS HBx 1.0 . 4.30 750 692 A 74 TYR HD% A 61 TYR HBx 1.0 . 5.21 751 693 A 54 LYS H A 61 TYR HBy 1.0 . 4.20 752 694 A 61 TYR HBy A 54 LYS HBx 1.0 . 4.16 753 695 A 32 ASP H A 32 ASP HBx 1.0 . 3.54 754 696 A 54 LYS H A 61 TYR HBx 1.0 . 4.36 755 697 A 74 TYR HE% A 61 TYR HBx 1.0 . 3.93 756 698 A 61 TYR H A 61 TYR HBx 1.0 . 3.53 757 699 A 32 ASP H A 32 ASP HBy 1.0 . 3.73 758 700 A 60 ILE HB A 75 LEU HBx 1.0 . 4.13 759 701 A 60 ILE HB A 59 ARG HA 1.0 . 5.28 760 702 A 60 ILE HB A 75 LEU H 1.0 . 4.09 761 703 A 60 ILE HB A 62 ILE HD1% 1.0 . 4.80 762 704 A 39 ILE H A 39 ILE HB 1.0 . 3.53 763 705 A 46 ILE H A 39 ILE HB 1.0 . 4.74 764 706 A 40 TYR HA A 39 ILE HB 1.0 . 4.94 765 707 A 47 SER HBx A 39 ILE HB 1.0 . 3.97 766 708 A 39 ILE HB A 46 ILE HB 1.0 . 3.68 767 709 A 13 ILE H A 12 ILE HB 1.0 . 4.70 768 710 A 40 TYR H A 39 ILE HB 1.0 . 4.92 769 711 A 11 ASN H A 12 ILE HB 1.0 . 5.12 770 712 A 61 TYR HE% A 63 TYR HBy 1.0 . 4.89 771 713 A 63 TYR HBy A 72 PRO HGx 1.0 . 4.39 772 714 A 72 PRO HBy A 63 TYR HBy 1.0 . 3.50 773 715 A 72 PRO HBy A 63 TYR HBx 1.0 . 3.61 774 716 A 72 PRO HBx A 63 TYR HBx 1.0 . 4.95 775 717 A 52 ASP HBy A 64 ASP HBx 1.0 . 4.71 776 718 A 46 ILE H A 46 ILE HB 1.0 . 3.35 777 719 A 46 ILE HB A 45 PRO HA 1.0 . 4.92 778 720 A 40 TYR HA A 46 ILE HB 1.0 . 4.58 779 721 A 65 VAL H A 64 ASP HBy 1.0 . 4.98 780 722 A 63 TYR HD% A 64 ASP HBx 1.0 . 4.93 781 723 A 52 ASP H A 64 ASP HBx 1.0 . 3.97 782 724 A 63 TYR HE% A 64 ASP HBx 1.0 . 5.50 783 725 A 52 ASP HBx A 64 ASP HBx 1.0 . 3.79 784 726 A 41 SER H A 46 ILE HB 1.0 . 5.29 785 727 A 43 ALA H A 42 ASN HBx 1.0 . 3.27 786 728 A 54 LYS H A 54 LYS HBy 1.0 . 3.99 787 729 A 61 TYR HD% A 54 LYS HBy 1.0 . 4.43 788 730 A 54 LYS HBy A 54 LYS HEx 1.0 . 4.02 789 730 A 54 LYS HBy A 54 LYS HEy 1.0 . 4.02 790 731 A 54 LYS HBy A 54 LYS HDx 1.0 . 3.55 791 731 A 54 LYS HBy A 54 LYS HDy 1.0 . 3.55 792 732 A 55 ILE H A 54 LYS HBy 1.0 . 3.54 793 733 A 55 ILE H A 54 LYS HBx 1.0 . 4.14 794 734 A 61 TYR H A 54 LYS HBx 1.0 . 5.25 795 735 A 54 LYS H A 54 LYS HBx 1.0 . 3.99 796 736 A 43 ALA HB% A 42 ASN HBx 1.0 . 5.06 797 737 A 10 ASN HA A 13 ILE HB 1.0 . 4.70 798 738 A 12 ILE H A 13 ILE HB 1.0 . 5.10 799 739 A 13 ILE H A 13 ILE HB 1.0 . 2.95 800 740 A 79 ILE HG1x A 11 ASN HBy 1.0 . 5.50 801 741 A 8 ASN HD2y A 11 ASN HBx 1.0 . 5.21 802 742 A 79 ILE HG1x A 11 ASN HBx 1.0 . 5.04 803 743 A 11 ASN H A 11 ASN HBy 1.0 . 3.83 804 744 A 11 ASN HD2y A 11 ASN HBy 1.0 . 3.64 805 745 A 11 ASN H A 11 ASN HBx 1.0 . 3.69 806 746 A 11 ASN HD2y A 11 ASN HBx 1.0 . 3.59 807 747 A 8 ASN H A 11 ASN HBx 1.0 . 4.88 808 748 A 11 ASN HD2x A 11 ASN HBx 1.0 . 4.03 809 749 A 79 ILE HD1% A 11 ASN HBx 1.0 . 4.52 810 750 A 8 ASN H A 11 ASN HBy 1.0 . 5.15 811 751 A 58 GLY HAx A 6 GLU HGx 1.0 . 4.86 812 751 A 58 GLY HAx A 6 GLU HGy 1.0 . 4.86 813 752 A 31 GLU H A 31 GLU HGy 1.0 . 3.81 814 752 A 31 GLU H A 31 GLU HGx 1.0 . 3.81 815 753 A 6 GLU HBx A 6 GLU HGx 1.0 . 2.75 816 753 A 6 GLU HBy A 6 GLU HGx 1.0 . 2.75 817 753 A 6 GLU HGy A 6 GLU HBx 1.0 . 2.75 818 753 A 6 GLU HGy A 6 GLU HBy 1.0 . 2.75 819 754 A 7 LEU H A 6 GLU HGx 1.0 . 3.72 820 754 A 7 LEU H A 6 GLU HGy 1.0 . 3.72 821 755 A 69 GLU HGy A 68 ASP HA 1.0 . 4.94 822 756 A 57 GLU HA A 57 GLU HGx 1.0 . 3.40 823 757 A 88 THR H A 87 GLU HGy 1.0 . 5.06 824 758 A 78 LYS H A 87 GLU HGx 1.0 . 5.44 825 759 A 32 ASP H A 31 GLU HGy 1.0 . 5.23 826 759 A 32 ASP H A 31 GLU HGx 1.0 . 5.23 827 760 A 69 GLU HGy A 69 GLU HA 1.0 . 3.82 828 761 A 69 GLU H A 69 GLU HGx 1.0 . 3.73 829 762 A 70 LYS H A 69 GLU HGx 1.0 . 4.38 830 763 A 69 GLU HA A 69 GLU HGx 1.0 . 3.88 831 764 A 50 MET HBy A 50 MET HGx 1.0 . 2.55 832 765 A 87 GLU H A 87 GLU HGy 1.0 . 3.51 833 766 A 77 CYS HA A 87 GLU HGy 1.0 . 4.13 834 767 A 87 GLU HGy A 87 GLU HA 1.0 . 3.47 835 768 A 87 GLU HBx A 87 GLU HGy 1.0 . 2.89 836 769 A 77 CYS H A 87 GLU HGy 1.0 . 4.91 837 770 A 87 GLU H A 87 GLU HGx 1.0 . 3.53 838 771 A 88 THR H A 87 GLU HGx 1.0 . 4.97 839 772 A 77 CYS HA A 87 GLU HGx 1.0 . 4.10 840 773 A 78 LYS HBy A 4 TRP HBy 1.0 . 4.79 841 774 A 4 TRP HE3 A 78 LYS HBy 1.0 . 4.74 842 775 A 85 LYS HBy A 78 LYS HBx 1.0 . 3.84 843 776 A 79 ILE H A 78 LYS HBx 1.0 . 4.44 844 777 A 62 ILE HB A 75 LEU HG 1.0 . 5.31 845 778 A 62 ILE HB A 73 TYR H 1.0 . 3.88 846 779 A 62 ILE HB A 73 TYR HE% 1.0 . 4.40 847 780 A 62 ILE HB A 72 PRO HA 1.0 . 4.22 848 781 A 62 ILE H A 62 ILE HB 1.0 . 3.18 849 782 A 73 TYR HD% A 62 ILE HB 1.0 . 4.72 850 783 A 25 LYS HBy A 25 LYS HDx 1.0 . 4.08 851 784 A 50 MET H A 50 MET HBy 1.0 . 4.10 852 785 A 25 LYS HBx A 25 LYS HGx 1.0 . 2.86 853 786 A 58 GLY H A 55 ILE HB 1.0 . 5.15 854 787 A 50 MET H A 50 MET HBx 1.0 . 3.70 855 788 A 66 TYR HBx A 50 MET HBx 1.0 . 5.33 856 789 A 51 PHE HA A 50 MET HBx 1.0 . 5.24 857 790 A 66 TYR H A 50 MET HBx 1.0 . 5.45 858 791 A 78 LYS HBx A 4 TRP HZ3 1.0 . 5.50 859 792 A 21 GLU HBx A 21 GLU HGx 1.0 . 2.51 860 792 A 21 GLU HBy A 21 GLU HGx 1.0 . 2.51 861 792 A 21 GLU HGy A 21 GLU HBx 1.0 . 2.51 862 792 A 21 GLU HBy A 21 GLU HGy 1.0 . 2.51 863 793 A 74 TYR HE% A 56 GLU HGy 1.0 . 5.21 864 794 A 57 GLU H A 56 GLU HGy 1.0 . 4.66 865 795 A 56 GLU HA A 56 GLU HGy 1.0 . 3.95 866 796 A 56 GLU HA A 56 GLU HGx 1.0 . 3.89 867 797 A 37 PHE HE% A 25 LYS HBx 1.0 . 4.22 868 798 A 56 GLU HA A 55 ILE HB 1.0 . 5.21 869 799 A 26 LEU H A 25 LYS HBx 1.0 . 5.09 870 800 A 55 ILE HB A 54 LYS HA 1.0 . 5.01 871 801 A 55 ILE HB A 9 SER H 1.0 . 4.68 872 802 A 70 LYS H A 70 LYS HBy 1.0 . 3.82 873 803 A 70 LYS HBx A 70 LYS HEx 1.0 . 4.72 874 803 A 70 LYS HEy A 70 LYS HBx 1.0 . 4.72 875 804 A 71 THR H A 70 LYS HBx 1.0 . 4.14 876 805 A 69 GLU HA A 70 LYS HBx 1.0 . 5.01 877 806 A 70 LYS H A 70 LYS HBx 1.0 . 3.60 878 807 A 73 TYR HE% A 70 LYS HBx 1.0 . 4.76 879 808 A 20 ILE H A 21 GLU HGx 1.0 . 4.66 880 808 A 20 ILE H A 21 GLU HGy 1.0 . 4.66 881 809 A 22 GLY H A 21 GLU HGx 1.0 . 4.03 882 809 A 22 GLY H A 21 GLU HGy 1.0 . 4.03 883 810 A 21 GLU H A 21 GLU HGx 1.0 . 3.61 884 810 A 21 GLU H A 21 GLU HGy 1.0 . 3.61 885 811 A 22 GLY HAy A 21 GLU HGx 1.0 . 5.22 886 811 A 22 GLY HAy A 21 GLU HGy 1.0 . 5.22 887 812 A 20 ILE HG1y A 21 GLU HGx 1.0 . 4.24 888 812 A 20 ILE HG1y A 21 GLU HGy 1.0 . 4.24 889 813 A 70 LYS HBy A 70 LYS HEx 1.0 . 4.30 890 813 A 70 LYS HBy A 70 LYS HEy 1.0 . 4.30 891 814 A 70 LYS HBy A 70 LYS HDy 1.0 . 4.12 892 815 A 73 TYR HD% A 70 LYS HBy 1.0 . 5.03 893 816 A 85 LYS HBy A 4 TRP HH2 1.0 . 4.46 894 817 A 78 LYS H A 85 LYS HBx 1.0 . 4.56 895 818 A 85 LYS H A 85 LYS HBx 1.0 . 3.63 896 819 A 4 TRP HH2 A 85 LYS HBx 1.0 . 4.13 897 820 A 86 VAL H A 85 LYS HBx 1.0 . 4.50 898 821 A 4 TRP HZ3 A 85 LYS HBx 1.0 . 4.94 899 822 A 85 LYS HBy A 86 VAL H 1.0 . 4.59 900 823 A 78 LYS HBx A 85 LYS HBx 1.0 . 4.16 901 824 A 91 GLU H A 91 GLU HGy 1.0 . 4.62 902 825 A 27 LEU HDy% A 91 GLU HGy 1.0 . 3.47 903 826 A 75 LEU HDx% A 91 GLU HGx 1.0 . 5.49 904 827 A 91 GLU HA A 91 GLU HGy 1.0 . 3.98 905 828 A 66 TYR HA A 67 PRO HBy 1.0 . 4.62 906 829 A 68 ASP H A 67 PRO HBy 1.0 . 3.91 907 830 A 74 TYR HA A 59 ARG HBy 1.0 . 5.06 908 831 A 59 ARG H A 59 ARG HBy 1.0 . 4.01 909 832 A 74 TYR HD% A 59 ARG HBy 1.0 . 4.03 910 833 A 60 ILE H A 59 ARG HBx 1.0 . 3.83 911 834 A 59 ARG H A 59 ARG HBx 1.0 . 3.89 912 835 A 74 TYR HBx A 59 ARG HBx 1.0 . 4.30 913 836 A 95 TYR HA A 96 LYS HBx 1.0 . 4.52 914 836 A 95 TYR HA A 96 LYS HBy 1.0 . 4.52 915 837 A 97 LYS H A 96 LYS HBx 1.0 . 4.34 916 837 A 97 LYS H A 96 LYS HBy 1.0 . 4.34 917 838 A 96 LYS HBx A 96 LYS HEx 1.0 . 4.80 918 838 A 96 LYS HBy A 96 LYS HEx 1.0 . 4.80 919 838 A 96 LYS HEy A 96 LYS HBx 1.0 . 4.80 920 838 A 96 LYS HBy A 96 LYS HEy 1.0 . 4.80 921 839 A 96 LYS H A 96 LYS HBx 1.0 . 3.66 922 839 A 96 LYS H A 96 LYS HBy 1.0 . 3.66 923 840 A 98 GLN HE2y A 96 LYS HBx 1.0 . 4.98 924 840 A 96 LYS HBy A 98 GLN HE2y 1.0 . 4.98 925 841 A 98 GLN HE2x A 96 LYS HBx 1.0 . 4.72 926 841 A 96 LYS HBy A 98 GLN HE2x 1.0 . 4.72 927 842 A 66 TYR HA A 67 PRO HBx 1.0 . 4.58 928 843 A 17 SER H A 98 GLN HGx 1.0 . 3.92 929 843 A 17 SER H A 98 GLN HGy 1.0 . 3.92 930 844 A 99 LYS H A 98 GLN HGx 1.0 . 4.52 931 844 A 99 LYS H A 98 GLN HGy 1.0 . 4.52 932 845 A 98 GLN HE2y A 98 GLN HGx 1.0 . 3.41 933 845 A 98 GLN HE2y A 98 GLN HGy 1.0 . 3.41 934 846 A 16 TRP HA A 98 GLN HGx 1.0 . 4.22 935 846 A 16 TRP HA A 98 GLN HGy 1.0 . 4.22 936 847 A 98 GLN HA A 98 GLN HGx 1.0 . 3.66 937 847 A 98 GLN HA A 98 GLN HGy 1.0 . 3.66 938 848 A 17 SER HBy A 98 GLN HGx 1.0 . 3.62 939 848 A 98 GLN HGy A 17 SER HBx 1.0 . 3.62 940 848 A 17 SER HBy A 98 GLN HGy 1.0 . 3.62 941 848 A 17 SER HBx A 98 GLN HGx 1.0 . 3.62 942 849 A 15 TYR HBx A 98 GLN HGx 1.0 . 4.07 943 849 A 15 TYR HBy A 98 GLN HGx 1.0 . 4.07 944 849 A 98 GLN HGy A 15 TYR HBx 1.0 . 4.07 945 849 A 15 TYR HBy A 98 GLN HGy 1.0 . 4.07 946 850 A 98 GLN HBy A 98 GLN HGx 1.0 . 2.79 947 850 A 98 GLN HGy A 98 GLN HBy 1.0 . 2.79 948 851 A 98 GLN HBx A 98 GLN HGx 1.0 . 2.99 949 851 A 98 GLN HGy A 98 GLN HBx 1.0 . 2.99 950 852 A 26 LEU HDx% A 98 GLN HGx 1.0 . 4.86 951 852 A 26 LEU HDx% A 98 GLN HGy 1.0 . 4.86 952 853 A 98 GLN H A 98 GLN HGx 1.0 . 3.58 953 853 A 98 GLN H A 98 GLN HGy 1.0 . 3.58 954 854 A 61 TYR HD% A 72 PRO HBy 1.0 . 5.14 955 855 A 72 PRO HBy A 61 TYR HE% 1.0 . 4.33 956 856 A 63 TYR HA A 72 PRO HBy 1.0 . 4.08 957 857 A 72 PRO HBy A 63 TYR HD% 1.0 . 5.45 958 858 A 99 LYS HBy A 99 LYS HEx 1.0 . 4.81 959 858 A 99 LYS HBy A 99 LYS HEy 1.0 . 4.81 960 859 A 15 TYR H A 99 LYS HBx 1.0 . 5.24 961 860 A 99 LYS H A 99 LYS HBx 1.0 . 3.98 962 861 A 99 LYS HBx A 15 TYR HBx 1.0 . 4.48 963 861 A 15 TYR HBy A 99 LYS HBx 1.0 . 4.48 964 862 A 99 LYS HBx A 15 TYR HD% 1.0 . 5.11 965 863 A 49 GLN H A 49 GLN HGy 1.0 . 3.97 966 864 A 37 PHE HD% A 49 GLN HGy 1.0 . 4.20 967 865 A 65 VAL HGx% A 49 GLN HGy 1.0 . 5.04 968 866 A 49 GLN HGx A 50 MET H 1.0 . 4.91 969 867 A 49 GLN HGx A 49 GLN HE2y 1.0 . 3.84 970 868 A 49 GLN HGx A 36 SER HA 1.0 . 4.66 971 869 A 49 GLN HGx A 65 VAL HGx% 1.0 . 4.34 972 870 A 49 GLN HGx A 37 PHE HBy 1.0 . 4.56 973 871 A 50 MET H A 49 GLN HGy 1.0 . 5.07 974 872 A 49 GLN HGx A 49 GLN HA 1.0 . 4.05 975 873 A 97 LYS H A 97 LYS HBy 1.0 . 3.57 976 874 A 82 THR HA A 97 LYS HBy 1.0 . 3.55 977 875 A 97 LYS HBy A 97 LYS HDx 1.0 . 3.92 978 875 A 97 LYS HDy A 97 LYS HBy 1.0 . 3.92 979 876 A 16 TRP HH2 A 97 LYS HBy 1.0 . 5.44 980 877 A 97 LYS HBy A 97 LYS HEx 1.0 . 5.09 981 877 A 97 LYS HEy A 97 LYS HBy 1.0 . 5.09 982 878 A 97 LYS H A 97 LYS HBx 1.0 . 3.64 983 879 A 16 TRP HH2 A 97 LYS HBx 1.0 . 4.51 984 880 A 82 THR HA A 97 LYS HBx 1.0 . 3.81 985 881 A 97 LYS HBx A 97 LYS HEx 1.0 . 4.67 986 881 A 97 LYS HEy A 97 LYS HBx 1.0 . 4.67 987 882 A 98 GLN H A 97 LYS HBx 1.0 . 4.70 988 883 A 96 LYS HA A 97 LYS HBx 1.0 . 5.10 989 884 A 97 LYS HBx A 97 LYS HDx 1.0 . 3.76 990 884 A 97 LYS HDy A 97 LYS HBx 1.0 . 3.76 991 885 A 16 TRP HZ3 A 97 LYS HBy 1.0 . 5.25 992 886 A 77 CYS HBy A 87 GLU H 1.0 . 4.47 993 887 A 77 CYS HBy A 78 LYS H 1.0 . 3.51 994 888 A 77 CYS HBy A 86 VAL HA 1.0 . 3.63 995 889 A 77 CYS HBy A 86 VAL HGy% 1.0 . 3.80 996 890 A 77 CYS HBy A 7 LEU HDx% 1.0 . 4.57 997 891 A 49 GLN HA A 50 MET HGy 1.0 . 5.08 998 892 A 78 LYS H A 77 CYS HBx 1.0 . 3.13 999 893 A 86 VAL HA A 77 CYS HBx 1.0 . 3.80 1000 894 A 84 LEU HG A 77 CYS HBx 1.0 . 5.04 1001 895 A 84 LEU HDy% A 77 CYS HBx 1.0 . 5.50 1002 896 A 85 LYS H A 77 CYS HBx 1.0 . 5.07 1003 897 A 57 GLU H A 56 GLU HBy 1.0 . 4.07 1004 898 A 74 TYR HD% A 56 GLU HBy 1.0 . 5.15 1005 899 A 56 GLU H A 56 GLU HBx 1.0 . 3.60 1006 900 A 84 LEU HDy% A 77 CYS HBy 1.0 . 5.24 1007 901 A 48 PHE HE% A 50 MET HGy 1.0 . 3.98 1008 902 A 50 MET HGy A 50 MET HA 1.0 . 3.66 1009 903 A 66 TYR HD% A 50 MET HGy 1.0 . 5.02 1010 904 A 87 GLU H A 77 CYS HBx 1.0 . 5.42 1011 905 A 86 VAL HGy% A 77 CYS HBx 1.0 . 3.79 1012 906 A 60 ILE HD1% A 77 CYS HBx 1.0 . 5.05 1013 907 A 50 MET H A 50 MET HGy 1.0 . 4.34 1014 908 A 50 MET H A 50 MET HGx 1.0 . 4.09 1015 909 A 48 PHE HE% A 50 MET HGx 1.0 . 3.89 1016 910 A 66 TYR HD% A 50 MET HGx 1.0 . 4.86 1017 911 A 50 MET HGx A 50 MET HA 1.0 . 3.65 1018 912 A 86 VAL H A 86 VAL HB 1.0 . 3.39 1019 913 A 49 GLN HBy A 49 GLN HE2y 1.0 . 4.51 1020 914 A 49 GLN HBy A 37 PHE HD% 1.0 . 5.02 1021 915 A 49 GLN HBy A 67 PRO HDy 1.0 . 5.11 1022 916 A 49 GLN HBy A 65 VAL HGx% 1.0 . 4.57 1023 917 A 49 GLN HBy A 49 GLN HE2x 1.0 . 4.85 1024 918 A 49 GLN HBx A 67 PRO HDy 1.0 . 4.99 1025 919 A 20 ILE H A 21 GLU HBx 1.0 . 4.69 1026 919 A 20 ILE H A 21 GLU HBy 1.0 . 4.69 1027 920 A 21 GLU H A 21 GLU HBx 1.0 . 3.71 1028 920 A 21 GLU H A 21 GLU HBy 1.0 . 3.71 1029 921 A 20 ILE HG1y A 21 GLU HBx 1.0 . 4.91 1030 921 A 20 ILE HG1y A 21 GLU HBy 1.0 . 4.91 1031 922 A 66 TYR H A 65 VAL HB 1.0 . 4.55 1032 923 A 65 VAL H A 65 VAL HB 1.0 . 3.14 1033 924 A 65 VAL HB A 69 GLU HA 1.0 . 3.90 1034 925 A 87 GLU H A 87 GLU HBy 1.0 . 3.67 1035 926 A 86 VAL HGx% A 87 GLU HBx 1.0 . 5.30 1036 927 A 77 CYS H A 87 GLU HBx 1.0 . 5.50 1037 928 A 88 THR HG2% A 87 GLU HBy 1.0 . 4.16 1038 929 A 88 THR H A 87 GLU HBy 1.0 . 4.12 1039 930 A 87 GLU H A 87 GLU HBx 1.0 . 3.32 1040 931 A 87 GLU HBx A 88 THR HG2% 1.0 . 4.25 1041 932 A 40 TYR HA A 45 PRO HBy 1.0 . 5.05 1042 933 A 88 THR HB A 89 GLY H 1.0 . 3.78 1043 934 A 40 TYR HE% A 45 PRO HBy 1.0 . 4.20 1044 935 A 46 ILE H A 45 PRO HBy 1.0 . 4.31 1045 936 A 46 ILE H A 45 PRO HBx 1.0 . 4.38 1046 937 A 47 SER H A 45 PRO HBx 1.0 . 4.78 1047 938 A 40 TYR HE% A 45 PRO HBx 1.0 . 4.50 1048 939 A 88 THR HB A 75 LEU HDy% 1.0 . 4.85 1049 940 A 16 TRP H A 16 TRP HBy 1.0 . 3.93 1050 941 A 16 TRP HBy A 27 LEU HBy 1.0 . 4.07 1051 942 A 84 LEU HDy% A 16 TRP HBy 1.0 . 4.67 1052 943 A 16 TRP HBx A 16 TRP H 1.0 . 3.69 1053 944 A 84 LEU HDy% A 16 TRP HBx 1.0 . 5.16 1054 945 A 16 TRP HBx A 17 SER H 1.0 . 4.91 1055 946 A 26 LEU HDx% A 98 GLN HBy 1.0 . 5.50 1056 947 A 8 ASN HBx A 6 GLU HBx 1.0 . 5.01 1057 947 A 6 GLU HBy A 8 ASN HBx 1.0 . 5.01 1058 948 A 11 ASN HD2y A 6 GLU HBx 1.0 . 5.04 1059 948 A 11 ASN HD2y A 6 GLU HBy 1.0 . 5.04 1060 949 A 47 SER H A 45 PRO HBy 1.0 . 4.98 1061 950 A 40 TYR HA A 45 PRO HBx 1.0 . 5.25 1062 951 A 18 THR HG2% A 24 HIS HBx 1.0 . 5.50 1063 952 A 98 GLN HE2y A 98 GLN HBy 1.0 . 5.47 1064 953 A 98 GLN HBy A 15 TYR HD% 1.0 . 5.18 1065 954 A 98 GLN H A 98 GLN HBy 1.0 . 3.92 1066 955 A 99 LYS H A 98 GLN HBy 1.0 . 4.56 1067 956 A 98 GLN HBy A 15 TYR HBx 1.0 . 3.77 1068 956 A 15 TYR HBy A 98 GLN HBy 1.0 . 3.77 1069 957 A 7 LEU H A 6 GLU HBx 1.0 . 3.30 1070 957 A 7 LEU H A 6 GLU HBy 1.0 . 3.30 1071 958 A 6 GLU H A 6 GLU HBx 1.0 . 2.75 1072 958 A 6 GLU H A 6 GLU HBy 1.0 . 2.75 1073 959 A 8 ASN HD2x A 6 GLU HBx 1.0 . 4.57 1074 959 A 6 GLU HBy A 8 ASN HD2x 1.0 . 4.57 1075 960 A 5 THR HA A 6 GLU HBx 1.0 . 4.42 1076 960 A 5 THR HA A 6 GLU HBy 1.0 . 4.42 1077 961 A 98 GLN H A 98 GLN HBx 1.0 . 3.85 1078 962 A 99 LYS H A 98 GLN HBx 1.0 . 4.29 1079 963 A 98 GLN HBx A 15 TYR HBx 1.0 . 3.60 1080 963 A 15 TYR HBy A 98 GLN HBx 1.0 . 3.60 1081 964 A 79 ILE H A 4 TRP HBy 1.0 . 4.55 1082 965 A 4 TRP H A 4 TRP HBy 1.0 . 3.81 1083 966 A 4 TRP HE3 A 4 TRP HBy 1.0 . 3.71 1084 967 A 5 THR H A 4 TRP HBx 1.0 . 4.00 1085 968 A 4 TRP H A 4 TRP HBx 1.0 . 3.48 1086 969 A 79 ILE H A 4 TRP HBx 1.0 . 4.64 1087 970 A 8 ASN H A 6 GLU HBx 1.0 . 4.85 1088 970 A 8 ASN H A 6 GLU HBy 1.0 . 4.85 1089 971 A 24 HIS HBy A 19 GLY HAy 1.0 . 5.20 1090 972 A 25 LYS HA A 24 HIS HBy 1.0 . 5.25 1091 973 A 19 GLY H A 24 HIS HBx 1.0 . 4.83 1092 974 A 25 LYS H A 24 HIS HBx 1.0 . 3.96 1093 975 A 19 GLY HAy A 24 HIS HBx 1.0 . 4.73 1094 976 A 25 LYS HA A 25 LYS HDy 1.0 . 5.35 1095 977 A 18 THR HG2% A 25 LYS HDy 1.0 . 5.26 1096 978 A 37 PHE HE% A 25 LYS HDx 1.0 . 4.76 1097 979 A 4 TRP HE1 A 2 GLU HBy 1.0 . 4.61 1098 979 A 4 TRP HE1 A 2 GLU HBx 1.0 . 4.61 1099 980 A 3 ASP H A 2 GLU HBy 1.0 . 4.15 1100 980 A 3 ASP H A 2 GLU HBx 1.0 . 4.15 1101 981 A 79 ILE HG2% A 5 THR HB 1.0 . 5.48 1102 982 A 31 GLU H A 31 GLU HBx 1.0 . 2.95 1103 982 A 31 GLU H A 31 GLU HBy 1.0 . 2.95 1104 983 A 31 GLU HBy A 31 GLU HGy 1.0 . 2.66 1105 983 A 31 GLU HBx A 31 GLU HGy 1.0 . 2.66 1106 983 A 31 GLU HGx A 31 GLU HBx 1.0 . 2.66 1107 983 A 31 GLU HBy A 31 GLU HGx 1.0 . 2.66 1108 984 A 30 ASP HBy A 31 GLU HBx 1.0 . 4.72 1109 984 A 30 ASP HBy A 31 GLU HBy 1.0 . 4.72 1110 985 A 5 THR HB A 6 GLU HBx 1.0 . 3.96 1111 985 A 6 GLU HBy A 5 THR HB 1.0 . 3.96 1112 986 A 5 THR H A 5 THR HB 1.0 . 3.87 1113 987 A 6 GLU H A 5 THR HB 1.0 . 3.20 1114 988 A 83 THR HB A 83 THR H 1.0 . 3.64 1115 989 A 70 LYS H A 69 GLU HBx 1.0 . 3.66 1116 989 A 70 LYS H A 69 GLU HBy 1.0 . 3.66 1117 990 A 69 GLU H A 69 GLU HBx 1.0 . 2.85 1118 990 A 69 GLU H A 69 GLU HBy 1.0 . 2.85 1119 991 A 69 GLU HGx A 69 GLU HBx 1.0 . 2.96 1120 991 A 69 GLU HGx A 69 GLU HBy 1.0 . 2.96 1121 992 A 68 ASP HA A 69 GLU HBx 1.0 . 4.50 1122 992 A 68 ASP HA A 69 GLU HBy 1.0 . 4.50 1123 993 A 85 LYS HA A 85 LYS HDy 1.0 . 4.80 1124 994 A 85 LYS HDx A 4 TRP HZ2 1.0 . 4.74 1125 995 A 85 LYS HDx A 4 TRP HH2 1.0 . 4.91 1126 996 A 85 LYS HDx A 85 LYS HA 1.0 . 4.68 1127 997 A 83 THR HB A 79 ILE HG1y 1.0 . 5.31 1128 998 A 85 LYS HDy A 4 TRP HZ2 1.0 . 5.12 1129 999 A 44 THR H A 44 THR HB 1.0 . 3.20 1130 1000 A 41 SER HBy A 44 THR HB 1.0 . 3.84 1131 1001 A 54 LYS HA A 54 LYS HDx 1.0 . 4.71 1132 1001 A 54 LYS HDy A 54 LYS HA 1.0 . 4.71 1133 1002 A 63 TYR HE% A 54 LYS HDx 1.0 . 4.81 1134 1002 A 63 TYR HE% A 54 LYS HDy 1.0 . 4.81 1135 1003 A 61 TYR HD% A 54 LYS HDx 1.0 . 4.83 1136 1003 A 61 TYR HD% A 54 LYS HDy 1.0 . 4.83 1137 1004 A 85 LYS H A 79 ILE HG1y 1.0 . 4.76 1138 1005 A 80 SER H A 79 ILE HG1y 1.0 . 3.72 1139 1006 A 16 TRP HH2 A 79 ILE HG1y 1.0 . 5.07 1140 1007 A 16 TRP HZ3 A 97 LYS HDx 1.0 . 4.90 1141 1007 A 16 TRP HZ3 A 97 LYS HDy 1.0 . 4.90 1142 1008 A 97 LYS HA A 97 LYS HDx 1.0 . 4.34 1143 1008 A 97 LYS HDy A 97 LYS HA 1.0 . 4.34 1144 1009 A 16 TRP HZ2 A 97 LYS HDx 1.0 . 4.83 1145 1009 A 16 TRP HZ2 A 97 LYS HDy 1.0 . 4.83 1146 1010 A 80 SER H A 79 ILE HG1x 1.0 . 3.95 1147 1011 A 16 TRP HH2 A 97 LYS HDx 1.0 . 4.19 1148 1011 A 97 LYS HDy A 16 TRP HH2 1.0 . 4.19 1149 1012 A 84 LEU HDx% A 79 ILE HG1x 1.0 . 5.27 1150 1013 A 27 LEU HDy% A 91 GLU HBy 1.0 . 4.26 1151 1014 A 4 TRP HZ3 A 79 ILE HG1y 1.0 . 5.50 1152 1015 A 84 LEU HBx A 79 ILE HG1y 1.0 . 4.51 1153 1016 A 75 LEU HDx% A 91 GLU HBx 1.0 . 5.42 1154 1017 A 27 LEU HDy% A 91 GLU HBx 1.0 . 4.55 1155 1018 A 91 GLU HBx A 27 LEU HDx% 1.0 . 4.66 1156 1019 A 82 THR HA A 97 LYS HDx 1.0 . 4.20 1157 1019 A 82 THR HA A 97 LYS HDy 1.0 . 4.20 1158 1020 A 96 LYS H A 18 THR HB 1.0 . 5.50 1159 1021 A 63 TYR HA A 72 PRO HGx 1.0 . 4.25 1160 1022 A 4 TRP HE1 A 78 LYS HDx 1.0 . 5.50 1161 1023 A 78 LYS HA A 78 LYS HDx 1.0 . 4.29 1162 1024 A 4 TRP HD1 A 78 LYS HDx 1.0 . 5.50 1163 1025 A 95 TYR HD% A 18 THR HB 1.0 . 5.00 1164 1025 A 95 TYR HE% A 18 THR HB 1.0 . 5.00 1165 1026 A 61 TYR HE% A 72 PRO HGy 1.0 . 5.21 1166 1027 A 96 LYS HA A 96 LYS HDy 1.0 . 3.82 1167 1028 A 96 LYS HDy A 96 LYS HGx 1.0 . 2.98 1168 1028 A 96 LYS HGy A 96 LYS HDy 1.0 . 2.98 1169 1029 A 96 LYS HA A 96 LYS HDx 1.0 . 3.81 1170 1030 A 96 LYS HDx A 96 LYS HGx 1.0 . 2.91 1171 1030 A 96 LYS HGy A 96 LYS HDx 1.0 . 2.91 1172 1031 A 78 LYS H A 78 LYS HDx 1.0 . 5.19 1173 1032 A 39 ILE H A 39 ILE HG1x 1.0 . 4.71 1174 1033 A 39 ILE HG1x A 25 LYS HEx 1.0 . 5.32 1175 1034 A 18 THR H A 18 THR HB 1.0 . 4.11 1176 1035 A 13 ILE HG1y A 31 GLU HA 1.0 . 4.52 1177 1036 A 39 ILE H A 39 ILE HG1y 1.0 . 4.11 1178 1037 A 47 SER HBx A 39 ILE HG1y 1.0 . 5.31 1179 1038 A 40 TYR H A 39 ILE HG1x 1.0 . 5.13 1180 1039 A 37 PHE HE% A 39 ILE HG1x 1.0 . 4.96 1181 1040 A 25 LYS HA A 39 ILE HG1x 1.0 . 5.50 1182 1041 A 25 LYS HBy A 39 ILE HG1x 1.0 . 5.20 1183 1042 A 12 ILE HG1y A 29 PHE HD% 1.0 . 4.66 1184 1043 A 12 ILE HG1y A 12 ILE H 1.0 . 4.95 1185 1044 A 12 ILE HG1y A 29 PHE HE% 1.0 . 5.10 1186 1045 A 29 PHE HE% A 12 ILE HG1x 1.0 . 5.43 1187 1046 A 29 PHE HD% A 12 ILE HG1x 1.0 . 4.85 1188 1047 A 29 PHE HBy A 12 ILE HG1x 1.0 . 5.00 1189 1048 A 12 ILE HG2% A 12 ILE HG1x 1.0 . 3.85 1190 1049 A 12 ILE H A 12 ILE HG1x 1.0 . 4.80 1191 1050 A 13 ILE H A 13 ILE HG1y 1.0 . 3.30 1192 1051 A 10 ASN HA A 13 ILE HG1y 1.0 . 4.15 1193 1052 A 12 ILE HG2% A 13 ILE HG1y 1.0 . 4.76 1194 1053 A 12 ILE H A 13 ILE HG1y 1.0 . 5.26 1195 1054 A 10 ASN HA A 13 ILE HG1x 1.0 . 4.23 1196 1055 A 87 GLU HGx A 78 LYS HDx 1.0 . 4.13 1197 1056 A 12 ILE HG1y A 29 PHE HBy 1.0 . 4.87 1198 1057 A 84 LEU HDy% A 12 ILE HG1y 1.0 . 5.50 1199 1058 A 71 THR H A 71 THR HB 1.0 . 2.95 1200 1059 A 72 PRO HDx A 71 THR HB 1.0 . 4.07 1201 1060 A 57 GLU H A 57 GLU HBy 1.0 . 4.14 1202 1061 A 59 ARG HDx A 57 GLU HBy 1.0 . 5.50 1203 1062 A 59 ARG H A 57 GLU HBy 1.0 . 5.36 1204 1063 A 57 GLU H A 57 GLU HBx 1.0 . 4.09 1205 1064 A 59 ARG H A 57 GLU HBx 1.0 . 5.02 1206 1065 A 26 LEU HG A 15 TYR HD% 1.0 . 5.14 1207 1066 A 26 LEU HG A 40 TYR HE% 1.0 . 4.43 1208 1067 A 26 LEU HA A 26 LEU HG 1.0 . 3.91 1209 1068 A 40 TYR HE% A 45 PRO HGy 1.0 . 4.82 1210 1069 A 60 ILE H A 60 ILE HG1y 1.0 . 3.62 1211 1070 A 60 ILE HA A 60 ILE HG1y 1.0 . 3.99 1212 1071 A 12 ILE HD1% A 60 ILE HG1y 1.0 . 5.50 1213 1072 A 7 LEU HG A 12 ILE HD1% 1.0 . 5.24 1214 1073 A 58 GLY HAx A 7 LEU HG 1.0 . 5.18 1215 1074 A 7 LEU HG A 8 ASN HA 1.0 . 5.41 1216 1075 A 61 TYR H A 60 ILE HG1x 1.0 . 5.16 1217 1076 A 60 ILE HG1x A 53 TYR HD% 1.0 . 5.36 1218 1077 A 60 ILE HG1x A 59 ARG HA 1.0 . 4.88 1219 1078 A 45 PRO HGy A 44 THR HA 1.0 . 4.59 1220 1079 A 44 THR HA A 45 PRO HGx 1.0 . 4.34 1221 1080 A 46 ILE H A 45 PRO HGx 1.0 . 5.30 1222 1081 A 59 ARG HA A 60 ILE HG1y 1.0 . 4.33 1223 1082 A 77 CYS HBy A 84 LEU HG 1.0 . 5.50 1224 1083 A 23 THR H A 23 THR HB 1.0 . 3.53 1225 1084 A 29 PHE HE% A 27 LEU HG 1.0 . 4.36 1226 1085 A 27 LEU HA A 27 LEU HG 1.0 . 4.09 1227 1086 A 27 LEU H A 27 LEU HG 1.0 . 4.54 1228 1087 A 37 PHE HA A 27 LEU HG 1.0 . 5.14 1229 1088 A 55 ILE HG1y A 9 SER HA 1.0 . 4.21 1230 1089 A 55 ILE HG1y A 55 ILE H 1.0 . 3.57 1231 1090 A 55 ILE H A 55 ILE HG1x 1.0 . 3.97 1232 1091 A 55 ILE HG1x A 9 SER HA 1.0 . 3.58 1233 1092 A 95 TYR HD% A 84 LEU HG 1.0 . 5.50 1234 1092 A 84 LEU HG A 95 TYR HE% 1.0 . 5.50 1235 1093 A 84 LEU HG A 86 VAL HGy% 1.0 . 3.72 1236 1094 A 85 LYS H A 84 LEU HG 1.0 . 4.14 1237 1095 A 84 LEU H A 84 LEU HG 1.0 . 4.41 1238 1096 A 59 ARG HGy A 76 ASP HA 1.0 . 4.52 1239 1097 A 60 ILE H A 59 ARG HGx 1.0 . 5.12 1240 1098 A 39 ILE HA A 25 LYS HGy 1.0 . 4.88 1241 1099 A 20 ILE H A 20 ILE HG1y 1.0 . 4.03 1242 1100 A 41 SER HBx A 46 ILE HG1x 1.0 . 4.65 1243 1101 A 46 ILE H A 46 ILE HG1x 1.0 . 3.84 1244 1102 A 41 SER H A 46 ILE HG1x 1.0 . 4.33 1245 1103 A 46 ILE HG1x A 45 PRO HA 1.0 . 5.29 1246 1104 A 40 TYR HA A 46 ILE HG1x 1.0 . 4.06 1247 1105 A 20 ILE H A 20 ILE HG1x 1.0 . 3.72 1248 1106 A 20 ILE HG1x A 21 GLU HGx 1.0 . 4.88 1249 1106 A 20 ILE HG1x A 21 GLU HGy 1.0 . 4.88 1250 1107 A 21 GLU H A 20 ILE HG1x 1.0 . 4.68 1251 1108 A 59 ARG HA A 59 ARG HGx 1.0 . 3.84 1252 1109 A 39 ILE HA A 25 LYS HGx 1.0 . 4.92 1253 1110 A 25 LYS HGx A 25 LYS HEx 1.0 . 4.21 1254 1111 A 25 LYS HEy A 25 LYS HGx 1.0 . 4.24 1255 1112 A 36 SER HBy A 50 MET HGy 1.0 . 5.24 1256 1113 A 73 TYR HE% A 75 LEU HG 1.0 . 4.50 1257 1114 A 75 LEU H A 75 LEU HG 1.0 . 3.89 1258 1115 A 74 TYR HA A 75 LEU HG 1.0 . 4.81 1259 1116 A 75 LEU HA A 75 LEU HG 1.0 . 4.13 1260 1117 A 8 ASN H A 7 LEU HDx% 1.0 . 5.40 1261 1118 A 61 TYR HA A 62 ILE HG1x 1.0 . 5.11 1262 1119 A 62 ILE HG1y A 73 TYR HE% 1.0 . 5.50 1263 1120 A 62 ILE HG1y A 62 ILE HG2% 1.0 . 4.24 1264 1121 A 62 ILE HG1y A 75 LEU HG 1.0 . 4.57 1265 1122 A 7 LEU H A 7 LEU HDx% 1.0 . 4.22 1266 1123 A 59 ARG H A 7 LEU HDx% 1.0 . 4.43 1267 1124 A 7 LEU HDx% A 59 ARG HA 1.0 . 3.94 1268 1125 A 78 LYS HA A 7 LEU HDx% 1.0 . 4.14 1269 1126 A 7 LEU HDx% A 58 GLY HAy 1.0 . 5.20 1270 1127 A 58 GLY HAx A 7 LEU HDx% 1.0 . 4.17 1271 1128 A 12 ILE HD1% A 7 LEU HDx% 1.0 . 3.75 1272 1129 A 77 CYS H A 7 LEU HDx% 1.0 . 5.09 1273 1130 A 7 LEU HA A 7 LEU HDx% 1.0 . 3.82 1274 1131 A 7 LEU HDx% A 77 CYS HBx 1.0 . 3.95 1275 1132 A 73 TYR HE% A 62 ILE HG1x 1.0 . 4.44 1276 1133 A 62 ILE H A 62 ILE HG1x 1.0 . 4.13 1277 1134 A 75 LEU HG A 62 ILE HG1x 1.0 . 4.66 1278 1135 A 62 ILE HG2% A 62 ILE HG1x 1.0 . 3.90 1279 1136 A 85 LYS HGy A 85 LYS HA 1.0 . 3.79 1280 1137 A 85 LYS H A 85 LYS HGy 1.0 . 4.81 1281 1138 A 27 LEU H A 26 LEU HDy% 1.0 . 4.16 1282 1139 A 26 LEU HDy% A 15 TYR HE% 1.0 . 5.22 1283 1140 A 26 LEU HDy% A 40 TYR HE% 1.0 . 4.31 1284 1141 A 26 LEU HDy% A 17 SER HA 1.0 . 4.41 1285 1142 A 26 LEU HDy% A 26 LEU HA 1.0 . 3.83 1286 1143 A 26 LEU HDy% A 17 SER HBx 1.0 . 3.96 1287 1143 A 26 LEU HDy% A 17 SER HBy 1.0 . 3.96 1288 1144 A 26 LEU HDy% A 15 TYR HBx 1.0 . 4.66 1289 1144 A 26 LEU HDy% A 15 TYR HBy 1.0 . 4.66 1290 1145 A 26 LEU HBy A 26 LEU HDy% 1.0 . 3.37 1291 1146 A 85 LYS HGx A 78 LYS H 1.0 . 5.12 1292 1147 A 85 LYS HGx A 85 LYS HA 1.0 . 4.00 1293 1148 A 85 LYS HGx A 87 GLU HGx 1.0 . 4.58 1294 1149 A 61 TYR HBx A 54 LYS HGy 1.0 . 5.24 1295 1150 A 54 LYS HGy A 63 TYR HE% 1.0 . 4.08 1296 1151 A 61 TYR HD% A 54 LYS HGy 1.0 . 4.60 1297 1152 A 54 LYS HGy A 54 LYS HA 1.0 . 4.04 1298 1153 A 54 LYS HGy A 54 LYS HEx 1.0 . 3.74 1299 1153 A 54 LYS HGy A 54 LYS HEy 1.0 . 3.74 1300 1154 A 55 ILE H A 54 LYS HGx 1.0 . 4.82 1301 1155 A 54 LYS HGx A 54 LYS HEx 1.0 . 3.88 1302 1155 A 54 LYS HEy A 54 LYS HGx 1.0 . 3.88 1303 1156 A 85 LYS HGy A 86 VAL HA 1.0 . 5.26 1304 1157 A 85 LYS HGy A 87 GLU HGy 1.0 . 5.46 1305 1158 A 85 LYS HGx A 87 GLU HA 1.0 . 5.04 1306 1159 A 54 LYS HGy A 63 TYR HD% 1.0 . 5.46 1307 1160 A 63 TYR HD% A 54 LYS HGx 1.0 . 5.30 1308 1161 A 54 LYS H A 54 LYS HGx 1.0 . 4.73 1309 1162 A 54 LYS HA A 54 LYS HGx 1.0 . 4.17 1310 1163 A 61 TYR HD% A 54 LYS HGx 1.0 . 4.52 1311 1164 A 85 LYS HGy A 85 LYS HBx 1.0 . 2.90 1312 1165 A 99 LYS H A 97 LYS HGy 1.0 . 4.59 1313 1166 A 97 LYS HGy A 97 LYS HA 1.0 . 4.01 1314 1167 A 97 LYS HGy A 98 GLN HA 1.0 . 5.41 1315 1168 A 98 GLN H A 97 LYS HGx 1.0 . 5.06 1316 1169 A 99 LYS H A 97 LYS HGx 1.0 . 5.42 1317 1170 A 85 LYS HGx A 93 GLY H 1.0 . 5.50 1318 1171 A 98 GLN H A 97 LYS HGy 1.0 . 4.58 1319 1172 A 8 ASN H A 7 LEU HDy% 1.0 . 3.61 1320 1173 A 7 LEU HDy% A 12 ILE H 1.0 . 4.41 1321 1174 A 11 ASN HD2x A 7 LEU HDy% 1.0 . 5.22 1322 1175 A 7 LEU HDy% A 59 ARG HA 1.0 . 4.48 1323 1176 A 7 LEU HDy% A 77 CYS HBx 1.0 . 4.07 1324 1177 A 7 LEU HDy% A 12 ILE HB 1.0 . 3.24 1325 1178 A 79 ILE HG2% A 7 LEU HDy% 1.0 . 2.98 1326 1179 A 84 LEU HDx% A 7 LEU HDy% 1.0 . 3.64 1327 1180 A 7 LEU H A 7 LEU HDy% 1.0 . 4.07 1328 1181 A 78 LYS H A 7 LEU HDy% 1.0 . 5.35 1329 1182 A 7 LEU HDy% A 78 LYS HA 1.0 . 4.16 1330 1183 A 7 LEU HA A 7 LEU HDy% 1.0 . 3.15 1331 1184 A 84 LEU HDy% A 84 LEU H 1.0 . 4.77 1332 1185 A 84 LEU HDy% A 16 TRP HE3 1.0 . 4.20 1333 1186 A 84 LEU HDy% A 29 PHE HE% 1.0 . 3.66 1334 1187 A 84 LEU HDy% A 95 TYR HBx 1.0 . 4.73 1335 1188 A 84 LEU HDy% A 84 LEU HBy 1.0 . 3.46 1336 1189 A 82 THR HA A 97 LYS HGy 1.0 . 5.46 1337 1190 A 75 LEU HDx% A 89 GLY HAy 1.0 . 5.50 1338 1191 A 75 LEU HDx% A 91 GLU H 1.0 . 5.32 1339 1192 A 75 LEU H A 75 LEU HDx% 1.0 . 4.53 1340 1193 A 75 LEU HDx% A 75 LEU HA 1.0 . 4.24 1341 1194 A 75 LEU HDx% A 91 GLU HBy 1.0 . 4.07 1342 1195 A 75 LEU HDx% A 75 LEU HBy 1.0 . 3.05 1343 1196 A 62 ILE HD1% A 75 LEU HDx% 1.0 . 3.68 1344 1197 A 27 LEU H A 27 LEU HDx% 1.0 . 5.14 1345 1198 A 27 LEU HDx% A 29 PHE HE% 1.0 . 3.32 1346 1199 A 27 LEU HDx% A 27 LEU HA 1.0 . 4.05 1347 1200 A 16 TRP HBx A 27 LEU HDx% 1.0 . 4.88 1348 1201 A 27 LEU HDx% A 27 LEU HBy 1.0 . 3.36 1349 1202 A 27 LEU HDx% A 86 VAL HGy% 1.0 . 3.76 1350 1203 A 84 LEU HDy% A 27 LEU HDx% 1.0 . 3.72 1351 1204 A 91 GLU HBy A 27 LEU HDx% 1.0 . 5.39 1352 1205 A 86 VAL HGx% A 27 LEU HDx% 1.0 . 5.50 1353 1206 A 15 TYR HD% A 28 SER HBy 1.0 . 4.70 1354 1207 A 15 TYR HA A 28 SER HBy 1.0 . 4.66 1355 1208 A 15 TYR HA A 28 SER HBx 1.0 . 4.17 1356 1209 A 36 SER H A 28 SER HBx 1.0 . 4.59 1357 1210 A 68 ASP H A 67 PRO HGy 1.0 . 4.17 1358 1211 A 67 PRO HGy A 68 ASP HBx 1.0 . 5.09 1359 1211 A 68 ASP HBy A 67 PRO HGy 1.0 . 5.09 1360 1212 A 67 PRO HGx A 68 ASP HBx 1.0 . 4.82 1361 1212 A 67 PRO HGx A 68 ASP HBy 1.0 . 4.82 1362 1213 A 99 LYS HEx A 99 LYS HGx 1.0 . 3.60 1363 1213 A 99 LYS HEy A 99 LYS HGx 1.0 . 3.60 1364 1213 A 99 LYS HGy A 99 LYS HEx 1.0 . 3.60 1365 1213 A 99 LYS HGy A 99 LYS HEy 1.0 . 3.60 1366 1214 A 99 LYS H A 99 LYS HGx 1.0 . 4.41 1367 1214 A 99 LYS H A 99 LYS HGy 1.0 . 4.41 1368 1215 A 15 TYR HE% A 28 SER HBy 1.0 . 5.50 1369 1216 A 29 PHE H A 28 SER HBy 1.0 . 4.25 1370 1217 A 36 SER H A 28 SER HBy 1.0 . 5.06 1371 1218 A 67 PRO HGx A 68 ASP HA 1.0 . 5.16 1372 1219 A 96 LYS H A 96 LYS HGx 1.0 . 4.40 1373 1219 A 96 LYS H A 96 LYS HGy 1.0 . 4.40 1374 1220 A 96 LYS HA A 96 LYS HGx 1.0 . 4.03 1375 1220 A 96 LYS HGy A 96 LYS HA 1.0 . 4.03 1376 1221 A 70 LYS H A 70 LYS HGy 1.0 . 3.80 1377 1221 A 70 LYS H A 70 LYS HGx 1.0 . 3.80 1378 1222 A 69 GLU H A 70 LYS HGy 1.0 . 4.90 1379 1222 A 69 GLU H A 70 LYS HGx 1.0 . 4.90 1380 1223 A 78 LYS HGy A 78 LYS HEy 1.0 . 4.03 1381 1223 A 78 LYS HGy A 78 LYS HEx 1.0 . 4.03 1382 1224 A 78 LYS H A 78 LYS HGx 1.0 . 4.43 1383 1225 A 78 LYS HA A 78 LYS HGx 1.0 . 3.88 1384 1226 A 84 LEU H A 96 LYS HGx 1.0 . 5.50 1385 1226 A 84 LEU H A 96 LYS HGy 1.0 . 5.50 1386 1227 A 73 TYR HE% A 70 LYS HGy 1.0 . 4.82 1387 1227 A 70 LYS HGx A 73 TYR HE% 1.0 . 4.82 1388 1228 A 71 THR H A 70 LYS HGy 1.0 . 4.45 1389 1228 A 71 THR H A 70 LYS HGx 1.0 . 4.45 1390 1229 A 26 LEU HDx% A 38 GLY H 1.0 . 4.64 1391 1230 A 4 TRP HD1 A 78 LYS HGx 1.0 . 5.50 1392 1231 A 78 LYS HGx A 78 LYS HEy 1.0 . 4.10 1393 1231 A 78 LYS HEx A 78 LYS HGx 1.0 . 4.10 1394 1232 A 27 LEU H A 26 LEU HDx% 1.0 . 3.54 1395 1233 A 26 LEU HDx% A 17 SER HA 1.0 . 3.99 1396 1234 A 26 LEU HA A 26 LEU HDx% 1.0 . 3.37 1397 1235 A 15 TYR HA A 26 LEU HDx% 1.0 . 5.43 1398 1236 A 26 LEU HDx% A 17 SER HBx 1.0 . 3.49 1399 1236 A 26 LEU HDx% A 17 SER HBy 1.0 . 3.49 1400 1237 A 26 LEU HDx% A 15 TYR HBx 1.0 . 3.77 1401 1237 A 26 LEU HDx% A 15 TYR HBy 1.0 . 3.77 1402 1238 A 26 LEU HBy A 26 LEU HDx% 1.0 . 3.79 1403 1239 A 27 LEU HDy% A 37 PHE HBy 1.0 . 3.43 1404 1240 A 27 LEU HDy% A 37 PHE HBx 1.0 . 4.04 1405 1241 A 84 LEU HDy% A 27 LEU HDy% 1.0 . 4.42 1406 1242 A 27 LEU HDy% A 91 GLU HGx 1.0 . 4.49 1407 1243 A 27 LEU HDy% A 28 SER H 1.0 . 3.87 1408 1244 A 27 LEU HDy% A 29 PHE HE% 1.0 . 3.35 1409 1245 A 27 LEU HDy% A 37 PHE HA 1.0 . 3.66 1410 1246 A 27 LEU HDy% A 27 LEU HA 1.0 . 3.22 1411 1247 A 83 THR HB A 80 SER HBx 1.0 . 5.13 1412 1248 A 47 SER HBy A 46 ILE HG2% 1.0 . 4.55 1413 1249 A 47 SER HBx A 39 ILE H 1.0 . 5.21 1414 1250 A 80 SER HBx A 83 THR HG2% 1.0 . 5.50 1415 1251 A 47 SER HBy A 39 ILE HB 1.0 . 4.43 1416 1252 A 4 TRP HE3 A 80 SER HBy 1.0 . 5.50 1417 1253 A 50 MET H A 65 VAL HGx% 1.0 . 4.91 1418 1254 A 66 TYR H A 65 VAL HGx% 1.0 . 3.40 1419 1255 A 65 VAL HGx% A 65 VAL H 1.0 . 3.88 1420 1256 A 65 VAL HGx% A 70 LYS H 1.0 . 4.10 1421 1257 A 65 VAL HGx% A 49 GLN HE2y 1.0 . 4.83 1422 1258 A 65 VAL HGx% A 49 GLN HE2x 1.0 . 4.53 1423 1259 A 51 PHE HA A 65 VAL HGx% 1.0 . 4.38 1424 1260 A 65 VAL HGx% A 66 TYR HA 1.0 . 4.35 1425 1261 A 65 VAL HGx% A 65 VAL HA 1.0 . 3.26 1426 1262 A 65 VAL HGx% A 69 GLU HA 1.0 . 4.47 1427 1263 A 51 PHE HBy A 65 VAL HGx% 1.0 . 4.62 1428 1264 A 65 VAL HGx% A 51 PHE HBx 1.0 . 3.92 1429 1265 A 49 GLN HBx A 65 VAL HGx% 1.0 . 3.07 1430 1266 A 70 LYS HDy A 70 LYS HGy 1.0 . 2.78 1431 1266 A 70 LYS HGx A 70 LYS HDy 1.0 . 2.78 1432 1267 A 62 ILE HG2% A 65 VAL HGx% 1.0 . 4.37 1433 1268 A 66 TYR H A 65 VAL HGy% 1.0 . 4.29 1434 1269 A 65 VAL H A 65 VAL HGy% 1.0 . 3.00 1435 1270 A 70 LYS H A 65 VAL HGy% 1.0 . 4.18 1436 1271 A 49 GLN HE2x A 65 VAL HGy% 1.0 . 5.20 1437 1272 A 65 VAL HGy% A 65 VAL HA 1.0 . 3.24 1438 1273 A 51 PHE HBy A 65 VAL HGy% 1.0 . 3.84 1439 1274 A 62 ILE HG2% A 65 VAL HGy% 1.0 . 3.13 1440 1275 A 72 PRO HA A 63 TYR HBx 1.0 . 4.91 1441 1276 A 86 VAL H A 86 VAL HGx% 1.0 . 4.89 1442 1277 A 87 GLU H A 86 VAL HGx% 1.0 . 3.53 1443 1278 A 86 VAL HGx% A 88 THR H 1.0 . 3.09 1444 1279 A 86 VAL HGx% A 86 VAL HA 1.0 . 3.18 1445 1280 A 92 ALA HA A 86 VAL HGx% 1.0 . 3.11 1446 1281 A 77 CYS HBy A 86 VAL HGx% 1.0 . 4.27 1447 1282 A 91 GLU HBy A 86 VAL HGx% 1.0 . 3.38 1448 1283 A 65 VAL HGy% A 70 LYS HBx 1.0 . 3.73 1449 1284 A 91 GLU H A 75 LEU HDy% 1.0 . 4.40 1450 1285 A 75 LEU H A 75 LEU HDy% 1.0 . 4.52 1451 1286 A 76 ASP H A 75 LEU HDy% 1.0 . 3.91 1452 1287 A 75 LEU HDy% A 75 LEU HA 1.0 . 3.00 1453 1288 A 75 LEU HDy% A 89 GLY HAy 1.0 . 3.46 1454 1289 A 89 GLY HAx A 75 LEU HDy% 1.0 . 4.20 1455 1290 A 62 ILE HD1% A 75 LEU HDy% 1.0 . 4.82 1456 1291 A 91 GLU H A 86 VAL HGx% 1.0 . 4.93 1457 1292 A 86 VAL HGx% A 93 GLY H 1.0 . 4.03 1458 1293 A 76 ASP H A 86 VAL HGx% 1.0 . 4.52 1459 1294 A 85 LYS H A 84 LEU HDx% 1.0 . 3.46 1460 1295 A 84 LEU HDx% A 86 VAL H 1.0 . 4.50 1461 1296 A 84 LEU HDx% A 78 LYS H 1.0 . 4.09 1462 1297 A 84 LEU HDx% A 95 TYR HD% 1.0 . 4.67 1463 1297 A 84 LEU HDx% A 95 TYR HE% 1.0 . 4.67 1464 1298 A 84 LEU HDx% A 29 PHE HE% 1.0 . 5.27 1465 1299 A 84 LEU HDx% A 79 ILE HA 1.0 . 4.02 1466 1300 A 84 LEU HDx% A 84 LEU HA 1.0 . 3.15 1467 1301 A 84 LEU HDx% A 78 LYS HA 1.0 . 5.39 1468 1302 A 77 CYS HBy A 84 LEU HDx% 1.0 . 3.48 1469 1303 A 84 LEU HDx% A 77 CYS HBx 1.0 . 3.54 1470 1304 A 84 LEU HDx% A 79 ILE HG1y 1.0 . 3.91 1471 1305 A 84 LEU HDx% A 79 ILE HB 1.0 . 3.42 1472 1306 A 89 GLY HAx A 88 THR HG2% 1.0 . 4.60 1473 1307 A 87 GLU H A 88 THR HG2% 1.0 . 4.79 1474 1308 A 89 GLY H A 88 THR HG2% 1.0 . 3.75 1475 1309 A 76 ASP H A 88 THR HG2% 1.0 . 4.02 1476 1310 A 88 THR H A 88 THR HG2% 1.0 . 3.63 1477 1311 A 88 THR HA A 88 THR HG2% 1.0 . 3.13 1478 1312 A 76 ASP HBx A 88 THR HG2% 1.0 . 3.83 1479 1313 A 66 TYR H A 65 VAL HA 1.0 . 2.93 1480 1314 A 51 PHE HBx A 65 VAL HA 1.0 . 3.68 1481 1315 A 95 TYR H A 83 THR HG2% 1.0 . 4.23 1482 1316 A 85 LYS H A 83 THR HG2% 1.0 . 4.30 1483 1317 A 84 LEU H A 83 THR HG2% 1.0 . 3.19 1484 1318 A 83 THR H A 83 THR HG2% 1.0 . 4.50 1485 1319 A 83 THR HG2% A 83 THR HA 1.0 . 3.16 1486 1320 A 85 LYS HA A 83 THR HG2% 1.0 . 5.34 1487 1321 A 86 VAL HGx% A 88 THR HG2% 1.0 . 3.83 1488 1322 A 75 LEU HDy% A 88 THR HG2% 1.0 . 3.73 1489 1323 A 51 PHE HA A 65 VAL HA 1.0 . 3.55 1490 1324 A 55 ILE HG1y A 9 SER HBy 1.0 . 5.29 1491 1325 A 55 ILE HG1x A 9 SER HBy 1.0 . 5.17 1492 1326 A 55 ILE HG1y A 9 SER HBx 1.0 . 5.26 1493 1327 A 67 PRO HA A 66 TYR HBy 1.0 . 3.42 1494 1328 A 71 THR HG2% A 70 LYS HA 1.0 . 4.40 1495 1329 A 71 THR HG2% A 71 THR HA 1.0 . 3.09 1496 1330 A 71 THR HG2% A 72 PRO HGy 1.0 . 4.79 1497 1331 A 10 ASN H A 9 SER HBy 1.0 . 4.46 1498 1332 A 9 SER H A 9 SER HBy 1.0 . 3.48 1499 1333 A 55 ILE HB A 9 SER HBy 1.0 . 5.16 1500 1334 A 55 ILE HB A 9 SER HBx 1.0 . 4.59 1501 1335 A 55 ILE HG2% A 9 SER HBx 1.0 . 4.94 1502 1336 A 71 THR HG2% A 73 TYR HBx 1.0 . 5.10 1503 1337 A 82 THR H A 82 THR HG2% 1.0 . 3.91 1504 1338 A 82 THR HA A 82 THR HG2% 1.0 . 2.63 1505 1339 A 23 THR HG2% A 25 LYS HEy 1.0 . 4.67 1506 1340 A 23 THR HG2% A 41 SER HBx 1.0 . 4.72 1507 1341 A 46 ILE H A 45 PRO HA 1.0 . 2.87 1508 1342 A 47 SER H A 45 PRO HA 1.0 . 3.95 1509 1343 A 40 TYR HA A 45 PRO HA 1.0 . 3.10 1510 1344 A 41 SER H A 45 PRO HA 1.0 . 4.46 1511 1345 A 46 ILE HG1y A 41 SER HBy 1.0 . 4.27 1512 1346 A 42 ASN H A 41 SER HBx 1.0 . 4.86 1513 1347 A 46 ILE HG1y A 41 SER HBx 1.0 . 4.17 1514 1348 A 24 HIS H A 23 THR HG2% 1.0 . 3.49 1515 1349 A 23 THR HG2% A 41 SER HA 1.0 . 3.25 1516 1350 A 23 THR HA A 23 THR HG2% 1.0 . 3.21 1517 1351 A 23 THR HA A 42 ASN H 1.0 . 4.91 1518 1352 A 24 HIS H A 23 THR HA 1.0 . 2.88 1519 1353 A 23 THR HA A 41 SER HA 1.0 . 3.17 1520 1354 A 40 TYR HBy A 45 PRO HA 1.0 . 4.77 1521 1355 A 45 PRO HA A 44 THR HG2% 1.0 . 4.72 1522 1356 A 91 GLU H A 90 SER HBy 1.0 . 3.93 1523 1357 A 90 SER H A 90 SER HBy 1.0 . 3.58 1524 1358 A 37 PHE HE% A 90 SER HBy 1.0 . 4.02 1525 1359 A 41 SER HBy A 46 ILE HG1x 1.0 . 5.22 1526 1360 A 91 GLU H A 90 SER HBx 1.0 . 3.79 1527 1361 A 90 SER H A 90 SER HBx 1.0 . 3.36 1528 1362 A 91 GLU HGx A 90 SER HBx 1.0 . 5.06 1529 1363 A 23 THR HA A 41 SER HBx 1.0 . 5.44 1530 1364 A 44 THR HB A 41 SER HBx 1.0 . 4.27 1531 1365 A 41 SER H A 44 THR HG2% 1.0 . 5.23 1532 1366 A 82 THR HG2% A 97 LYS HBx 1.0 . 3.09 1533 1367 A 52 ASP HBy A 34 THR HG2% 1.0 . 5.24 1534 1368 A 46 ILE H A 44 THR HG2% 1.0 . 5.14 1535 1369 A 44 THR H A 44 THR HG2% 1.0 . 4.17 1536 1370 A 44 THR HG2% A 45 PRO HDy 1.0 . 3.90 1537 1371 A 44 THR HG2% A 45 PRO HDx 1.0 . 3.50 1538 1372 A 45 PRO HGy A 44 THR HG2% 1.0 . 4.98 1539 1373 A 44 THR HG2% A 46 ILE HD1% 1.0 . 3.92 1540 1374 A 35 GLY H A 34 THR HG2% 1.0 . 4.06 1541 1375 A 34 THR H A 34 THR HG2% 1.0 . 3.45 1542 1376 A 52 ASP HA A 34 THR HG2% 1.0 . 3.84 1543 1377 A 34 THR HA A 34 THR HG2% 1.0 . 3.17 1544 1378 A 34 THR HG2% A 33 GLY HAx 1.0 . 4.44 1545 1379 A 53 TYR H A 34 THR HG2% 1.0 . 5.11 1546 1380 A 85 LYS HA A 86 VAL HGy% 1.0 . 4.15 1547 1381 A 86 VAL H A 86 VAL HGy% 1.0 . 3.44 1548 1382 A 87 GLU H A 86 VAL HGy% 1.0 . 4.92 1549 1383 A 95 TYR HD% A 86 VAL HGy% 1.0 . 4.53 1550 1383 A 86 VAL HGy% A 95 TYR HE% 1.0 . 4.53 1551 1384 A 86 VAL HA A 86 VAL HGy% 1.0 . 3.17 1552 1385 A 92 ALA HA A 86 VAL HGy% 1.0 . 4.12 1553 1386 A 91 GLU HBx A 86 VAL HGy% 1.0 . 4.88 1554 1387 A 84 LEU HDx% A 86 VAL HGy% 1.0 . 3.31 1555 1388 A 84 LEU HDy% A 86 VAL HGy% 1.0 . 3.45 1556 1389 A 77 CYS HA A 86 VAL HGy% 1.0 . 4.39 1557 1390 A 16 TRP HE3 A 83 THR HA 1.0 . 4.73 1558 1391 A 84 LEU H A 83 THR HA 1.0 . 2.82 1559 1392 A 96 LYS HDy A 83 THR HA 1.0 . 4.53 1560 1393 A 95 TYR H A 83 THR HA 1.0 . 5.01 1561 1394 A 87 GLU H A 86 VAL HA 1.0 . 2.82 1562 1395 A 78 LYS H A 86 VAL HA 1.0 . 3.94 1563 1396 A 86 VAL HA A 87 GLU HBx 1.0 . 4.85 1564 1397 A 82 THR HA A 16 TRP HH2 1.0 . 4.19 1565 1398 A 71 THR HA A 72 PRO HDy 1.0 . 2.84 1566 1399 A 72 PRO HDx A 71 THR HA 1.0 . 3.04 1567 1400 A 72 PRO HGy A 71 THR HA 1.0 . 4.39 1568 1401 A 90 SER HA A 92 ALA HB% 1.0 . 4.66 1569 1402 A 80 SER HBx A 5 THR HG2% 1.0 . 5.50 1570 1403 A 5 THR H A 5 THR HG2% 1.0 . 3.26 1571 1404 A 6 GLU H A 5 THR HG2% 1.0 . 3.57 1572 1405 A 11 ASN HD2y A 5 THR HG2% 1.0 . 3.94 1573 1406 A 5 THR HA A 5 THR HG2% 1.0 . 2.96 1574 1407 A 80 SER HBy A 5 THR HG2% 1.0 . 5.47 1575 1408 A 5 THR HG2% A 6 GLU HBx 1.0 . 4.76 1576 1408 A 6 GLU HBy A 5 THR HG2% 1.0 . 4.76 1577 1409 A 46 ILE HG1x A 46 ILE HA 1.0 . 3.76 1578 1410 A 29 PHE HA A 13 ILE HA 1.0 . 5.04 1579 1411 A 95 TYR HD% A 18 THR HG2% 1.0 . 4.50 1580 1411 A 18 THR HG2% A 95 TYR HE% 1.0 . 4.50 1581 1412 A 25 LYS HA A 18 THR HG2% 1.0 . 5.20 1582 1413 A 55 ILE HA A 60 ILE HA 1.0 . 3.58 1583 1414 A 12 ILE HG2% A 9 SER HA 1.0 . 3.55 1584 1415 A 14 GLY H A 13 ILE HA 1.0 . 2.75 1585 1416 A 29 PHE HBy A 13 ILE HA 1.0 . 3.47 1586 1417 A 13 ILE HG1x A 13 ILE HA 1.0 . 3.90 1587 1418 A 16 TRP HE1 A 13 ILE HA 1.0 . 5.13 1588 1419 A 29 PHE H A 13 ILE HA 1.0 . 4.32 1589 1420 A 29 PHE HBx A 13 ILE HA 1.0 . 3.85 1590 1421 A 13 ILE HG1y A 13 ILE HA 1.0 . 4.00 1591 1422 A 12 ILE HG2% A 13 ILE HA 1.0 . 4.28 1592 1423 A 30 ASP HA A 13 ILE HA 1.0 . 5.03 1593 1424 A 95 TYR H A 94 THR HG2% 1.0 . 5.01 1594 1425 A 18 THR H A 18 THR HG2% 1.0 . 3.48 1595 1426 A 25 LYS H A 18 THR HG2% 1.0 . 4.10 1596 1427 A 94 THR H A 94 THR HG2% 1.0 . 3.93 1597 1428 A 94 THR HA A 94 THR HG2% 1.0 . 3.26 1598 1429 A 93 GLY HAy A 94 THR HG2% 1.0 . 3.67 1599 1430 A 25 LYS HBy A 18 THR HG2% 1.0 . 4.19 1600 1431 A 25 LYS HBx A 18 THR HG2% 1.0 . 3.36 1601 1432 A 18 THR HG2% A 25 LYS HDx 1.0 . 4.65 1602 1433 A 25 LYS HGy A 18 THR HG2% 1.0 . 5.50 1603 1434 A 61 TYR H A 60 ILE HA 1.0 . 2.82 1604 1435 A 60 ILE HG1x A 60 ILE HA 1.0 . 3.75 1605 1436 A 39 ILE HA A 39 ILE HG1x 1.0 . 3.91 1606 1437 A 39 ILE HA A 40 TYR H 1.0 . 3.05 1607 1438 A 55 ILE H A 9 SER HA 1.0 . 5.16 1608 1439 A 12 ILE H A 9 SER HA 1.0 . 4.52 1609 1440 A 9 SER HBx A 9 SER HA 1.0 . 2.73 1610 1441 A 43 ALA HB% A 44 THR HA 1.0 . 4.59 1611 1442 A 42 ASN HBy A 43 ALA HB% 1.0 . 5.12 1612 1443 A 44 THR HA A 44 THR HG2% 1.0 . 3.09 1613 1444 A 40 TYR HD% A 43 ALA HB% 1.0 . 5.50 1614 1445 A 43 ALA H A 43 ALA HB% 1.0 . 3.81 1615 1446 A 89 GLY H A 88 THR HA 1.0 . 2.67 1616 1447 A 62 ILE H A 60 ILE HG2% 1.0 . 5.10 1617 1448 A 34 THR HA A 52 ASP HBy 1.0 . 4.85 1618 1449 A 91 GLU H A 92 ALA HB% 1.0 . 4.95 1619 1450 A 92 ALA HB% A 93 GLY H 1.0 . 3.40 1620 1451 A 89 GLY H A 92 ALA HB% 1.0 . 4.35 1621 1452 A 92 ALA H A 92 ALA HB% 1.0 . 2.77 1622 1453 A 88 THR HA A 92 ALA HB% 1.0 . 3.64 1623 1454 A 86 VAL HB A 92 ALA HB% 1.0 . 4.20 1624 1455 A 86 VAL HGx% A 92 ALA HB% 1.0 . 3.80 1625 1456 A 75 LEU H A 60 ILE HG2% 1.0 . 5.00 1626 1457 A 61 TYR H A 60 ILE HG2% 1.0 . 3.44 1627 1458 A 54 LYS H A 60 ILE HG2% 1.0 . 4.16 1628 1459 A 60 ILE H A 60 ILE HG2% 1.0 . 4.48 1629 1460 A 60 ILE HA A 60 ILE HG2% 1.0 . 3.11 1630 1461 A 60 ILE HG2% A 53 TYR HBx 1.0 . 3.29 1631 1461 A 53 TYR HBy A 60 ILE HG2% 1.0 . 3.29 1632 1462 A 60 ILE HG1y A 60 ILE HG2% 1.0 . 3.57 1633 1463 A 60 ILE HD1% A 60 ILE HG2% 1.0 . 3.34 1634 1464 A 12 ILE HD1% A 60 ILE HG2% 1.0 . 4.62 1635 1465 A 62 ILE HD1% A 60 ILE HG2% 1.0 . 3.30 1636 1466 A 61 TYR HBy A 60 ILE HG2% 1.0 . 5.04 1637 1467 A 34 THR HA A 35 GLY H 1.0 . 3.04 1638 1468 A 34 THR HA A 52 ASP HA 1.0 . 3.10 1639 1469 A 34 THR HA A 34 THR HB 1.0 . 3.01 1640 1470 A 85 LYS H A 79 ILE HA 1.0 . 3.74 1641 1471 A 79 ILE HA A 4 TRP HZ3 1.0 . 4.01 1642 1472 A 20 ILE HG2% A 19 GLY H 1.0 . 4.64 1643 1473 A 20 ILE HG2% A 21 GLU HGx 1.0 . 5.40 1644 1473 A 20 ILE HG2% A 21 GLU HGy 1.0 . 5.40 1645 1474 A 80 SER H A 79 ILE HA 1.0 . 2.89 1646 1475 A 79 ILE HA A 84 LEU HA 1.0 . 3.12 1647 1476 A 79 ILE HA A 79 ILE HG1y 1.0 . 3.36 1648 1477 A 79 ILE HA A 79 ILE HG1x 1.0 . 3.15 1649 1478 A 20 ILE H A 20 ILE HG2% 1.0 . 3.94 1650 1479 A 19 GLY HAx A 20 ILE HG2% 1.0 . 3.96 1651 1480 A 20 ILE HG2% A 20 ILE HA 1.0 . 3.67 1652 1481 A 30 ASP HA A 31 GLU HA 1.0 . 4.40 1653 1482 A 31 GLU HA A 13 ILE HG1x 1.0 . 4.31 1654 1483 A 33 GLY H A 31 GLU HA 1.0 . 4.29 1655 1484 A 31 GLU HA A 31 GLU HGy 1.0 . 3.50 1656 1484 A 31 GLU HGx A 31 GLU HA 1.0 . 3.50 1657 1485 A 31 GLU HA A 31 GLU HBx 1.0 . 2.72 1658 1485 A 31 GLU HBy A 31 GLU HA 1.0 . 2.72 1659 1486 A 40 TYR HA A 39 ILE HG2% 1.0 . 3.92 1660 1487 A 55 ILE HA A 56 GLU H 1.0 . 2.80 1661 1488 A 31 GLU H A 13 ILE HG2% 1.0 . 3.76 1662 1489 A 14 GLY H A 13 ILE HG2% 1.0 . 3.41 1663 1490 A 13 ILE H A 13 ILE HG2% 1.0 . 3.78 1664 1491 A 30 ASP HA A 13 ILE HG2% 1.0 . 3.58 1665 1492 A 10 ASN HA A 13 ILE HG2% 1.0 . 5.38 1666 1493 A 13 ILE HG2% A 13 ILE HA 1.0 . 3.27 1667 1494 A 29 PHE HBy A 13 ILE HG2% 1.0 . 5.48 1668 1495 A 13 ILE HG2% A 31 GLU HGy 1.0 . 3.83 1669 1495 A 13 ILE HG2% A 31 GLU HGx 1.0 . 3.83 1670 1496 A 13 ILE HG2% A 31 GLU HBx 1.0 . 3.71 1671 1496 A 31 GLU HBy A 13 ILE HG2% 1.0 . 3.71 1672 1497 A 13 ILE HG1y A 13 ILE HG2% 1.0 . 3.36 1673 1498 A 13 ILE HG2% A 13 ILE HG1x 1.0 . 3.23 1674 1499 A 23 THR HA A 39 ILE HG2% 1.0 . 4.99 1675 1500 A 24 HIS H A 39 ILE HG2% 1.0 . 4.59 1676 1501 A 40 TYR H A 39 ILE HG2% 1.0 . 3.39 1677 1502 A 39 ILE H A 39 ILE HG2% 1.0 . 4.53 1678 1503 A 37 PHE HE% A 39 ILE HG2% 1.0 . 5.50 1679 1504 A 25 LYS HA A 39 ILE HG2% 1.0 . 4.72 1680 1505 A 39 ILE HA A 39 ILE HG2% 1.0 . 3.35 1681 1506 A 25 LYS HEy A 39 ILE HG2% 1.0 . 4.78 1682 1507 A 25 LYS HEx A 39 ILE HG2% 1.0 . 4.55 1683 1508 A 46 ILE HB A 39 ILE HG2% 1.0 . 3.62 1684 1509 A 23 THR HG2% A 39 ILE HG2% 1.0 . 3.32 1685 1510 A 58 GLY H A 55 ILE HG2% 1.0 . 3.48 1686 1511 A 55 ILE HA A 55 ILE HG2% 1.0 . 3.15 1687 1512 A 55 ILE HG2% A 8 ASN HA 1.0 . 3.28 1688 1513 A 55 ILE HG2% A 60 ILE HA 1.0 . 5.11 1689 1514 A 55 ILE HG2% A 8 ASN HBx 1.0 . 4.89 1690 1515 A 55 ILE HG1y A 55 ILE HG2% 1.0 . 3.63 1691 1516 A 55 ILE HG2% A 7 LEU HG 1.0 . 3.88 1692 1517 A 55 ILE HG2% A 7 LEU HDx% 1.0 . 3.43 1693 1518 A 57 GLU H A 55 ILE HG2% 1.0 . 4.25 1694 1519 A 55 ILE HG2% A 58 GLY HAy 1.0 . 4.21 1695 1520 A 55 ILE HG2% A 59 ARG H 1.0 . 4.17 1696 1521 A 55 ILE HG2% A 58 GLY HAx 1.0 . 4.02 1697 1522 A 55 ILE HA A 55 ILE HG1y 1.0 . 3.64 1698 1523 A 50 MET HA A 50 MET HE% 1.0 . 4.66 1699 1524 A 50 MET H A 50 MET HE% 1.0 . 4.41 1700 1525 A 48 PHE HE% A 50 MET HE% 1.0 . 3.83 1701 1526 A 66 TYR HD% A 50 MET HE% 1.0 . 3.75 1702 1527 A 50 MET HE% A 66 TYR HE% 1.0 . 4.31 1703 1528 A 50 MET HBy A 50 MET HE% 1.0 . 2.58 1704 1529 A 46 ILE H A 46 ILE HG2% 1.0 . 4.07 1705 1530 A 46 ILE HG2% A 46 ILE HA 1.0 . 3.20 1706 1531 A 46 ILE HG2% A 46 ILE HG1x 1.0 . 3.92 1707 1532 A 47 SER HA A 46 ILE HG2% 1.0 . 4.67 1708 1533 A 49 GLN H A 48 PHE HA 1.0 . 2.85 1709 1534 A 38 GLY HAy A 48 PHE HA 1.0 . 3.28 1710 1535 A 38 GLY HAx A 48 PHE HA 1.0 . 3.69 1711 1536 A 63 TYR H A 62 ILE HA 1.0 . 2.85 1712 1537 A 62 ILE HG1y A 62 ILE HA 1.0 . 4.07 1713 1538 A 62 ILE HG2% A 63 TYR HA 1.0 . 5.36 1714 1539 A 62 ILE HG2% A 63 TYR H 1.0 . 3.64 1715 1540 A 62 ILE HG2% A 73 TYR HD% 1.0 . 5.50 1716 1541 A 62 ILE HG2% A 73 TYR HE% 1.0 . 3.93 1717 1542 A 62 ILE HG2% A 62 ILE HA 1.0 . 3.40 1718 1543 A 62 ILE HG2% A 51 PHE HBy 1.0 . 3.54 1719 1544 A 62 ILE HG2% A 51 PHE HBx 1.0 . 3.72 1720 1545 A 62 ILE HG2% A 65 VAL HB 1.0 . 5.50 1721 1546 A 86 VAL HGx% A 87 GLU HA 1.0 . 4.48 1722 1547 A 87 GLU HA A 87 GLU HBy 1.0 . 2.92 1723 1548 A 87 GLU HGx A 87 GLU HA 1.0 . 3.35 1724 1549 A 92 ALA HB% A 87 GLU HA 1.0 . 4.38 1725 1550 A 62 ILE HA A 53 TYR HBx 1.0 . 4.33 1726 1550 A 53 TYR HBy A 62 ILE HA 1.0 . 4.33 1727 1551 A 12 ILE HA A 12 ILE HB 1.0 . 3.01 1728 1552 A 63 TYR HA A 62 ILE HA 1.0 . 4.53 1729 1553 A 99 LYS HA A 99 LYS HGx 1.0 . 3.93 1730 1553 A 99 LYS HA A 99 LYS HGy 1.0 . 3.93 1731 1554 A 99 LYS HA A 99 LYS HDx 1.0 . 5.03 1732 1554 A 99 LYS HA A 99 LYS HDy 1.0 . 5.03 1733 1555 A 98 GLN H A 97 LYS HA 1.0 . 3.14 1734 1556 A 97 LYS HA A 98 GLN HGx 1.0 . 4.80 1735 1556 A 97 LYS HA A 98 GLN HGy 1.0 . 4.80 1736 1557 A 97 LYS HGx A 97 LYS HA 1.0 . 3.62 1737 1558 A 47 SER HA A 48 PHE H 1.0 . 2.68 1738 1559 A 15 TYR HA A 98 GLN H 1.0 . 5.08 1739 1560 A 15 TYR HA A 28 SER HA 1.0 . 3.45 1740 1561 A 30 ASP H A 29 PHE HA 1.0 . 2.88 1741 1562 A 91 GLU HA A 37 PHE HE% 1.0 . 3.85 1742 1563 A 27 LEU HDy% A 91 GLU HA 1.0 . 4.89 1743 1564 A 91 GLU HA A 91 GLU HGx 1.0 . 3.48 1744 1565 A 79 ILE HG2% A 79 ILE H 1.0 . 3.12 1745 1566 A 79 ILE HG2% A 11 ASN HD2y 1.0 . 4.36 1746 1567 A 79 ILE HG2% A 79 ILE HA 1.0 . 3.95 1747 1568 A 79 ILE HG2% A 7 LEU HA 1.0 . 3.05 1748 1569 A 79 ILE HG2% A 79 ILE HG1x 1.0 . 3.18 1749 1570 A 79 ILE HG2% A 7 LEU HDx% 1.0 . 4.46 1750 1571 A 84 LEU HDx% A 79 ILE HG2% 1.0 . 4.44 1751 1572 A 79 ILE HG2% A 11 ASN HBy 1.0 . 4.75 1752 1573 A 15 TYR HA A 16 TRP H 1.0 . 2.93 1753 1574 A 79 ILE HG2% A 11 ASN HD2x 1.0 . 3.86 1754 1575 A 35 GLY HAy A 29 PHE HA 1.0 . 3.05 1755 1576 A 70 LYS H A 69 GLU HA 1.0 . 2.59 1756 1577 A 69 GLU HA A 66 TYR HA 1.0 . 4.03 1757 1578 A 69 GLU HA A 69 GLU HBx 1.0 . 2.82 1758 1578 A 69 GLU HA A 69 GLU HBy 1.0 . 2.82 1759 1579 A 69 GLU HA A 70 LYS HGy 1.0 . 4.13 1760 1579 A 70 LYS HGx A 69 GLU HA 1.0 . 4.13 1761 1580 A 65 VAL HGy% A 69 GLU HA 1.0 . 5.50 1762 1581 A 59 ARG H A 57 GLU HA 1.0 . 4.60 1763 1582 A 57 GLU H A 57 GLU HA 1.0 . 2.67 1764 1583 A 58 GLY H A 57 GLU HA 1.0 . 3.00 1765 1584 A 57 GLU HBy A 57 GLU HA 1.0 . 2.76 1766 1585 A 62 ILE HG2% A 51 PHE HA 1.0 . 4.90 1767 1586 A 42 ASN HA A 22 GLY H 1.0 . 4.15 1768 1587 A 12 ILE HG2% A 10 ASN HA 1.0 . 5.21 1769 1588 A 79 ILE HA A 79 ILE HD1% 1.0 . 4.33 1770 1589 A 12 ILE HA A 79 ILE HD1% 1.0 . 3.24 1771 1590 A 12 ILE HD1% A 79 ILE HD1% 1.0 . 3.89 1772 1591 A 80 SER H A 79 ILE HD1% 1.0 . 4.46 1773 1592 A 11 ASN HBy A 79 ILE HD1% 1.0 . 4.10 1774 1593 A 74 TYR HA A 75 LEU HBy 1.0 . 4.75 1775 1594 A 51 PHE HA A 52 ASP H 1.0 . 3.16 1776 1595 A 51 PHE HA A 64 ASP HBx 1.0 . 4.72 1777 1596 A 51 PHE HA A 65 VAL HGy% 1.0 . 4.84 1778 1597 A 11 ASN HA A 79 ILE HD1% 1.0 . 4.74 1779 1598 A 84 LEU HDy% A 79 ILE HD1% 1.0 . 5.50 1780 1599 A 79 ILE HD1% A 84 LEU HA 1.0 . 4.66 1781 1600 A 74 TYR HA A 60 ILE HG2% 1.0 . 5.50 1782 1601 A 75 LEU H A 74 TYR HA 1.0 . 2.88 1783 1602 A 74 TYR HA A 61 TYR HA 1.0 . 3.30 1784 1603 A 95 TYR HA A 96 LYS H 1.0 . 3.08 1785 1604 A 7 LEU H A 6 GLU HA 1.0 . 2.51 1786 1605 A 6 GLU HA A 6 GLU HGx 1.0 . 3.47 1787 1605 A 6 GLU HGy A 6 GLU HA 1.0 . 3.47 1788 1606 A 6 GLU HA A 6 GLU HBx 1.0 . 2.79 1789 1606 A 6 GLU HBy A 6 GLU HA 1.0 . 2.79 1790 1607 A 79 ILE HG2% A 6 GLU HA 1.0 . 5.30 1791 1608 A 28 SER HA A 29 PHE H 1.0 . 2.84 1792 1609 A 53 TYR HA A 54 LYS HA 1.0 . 4.84 1793 1610 A 28 SER HA A 16 TRP H 1.0 . 3.94 1794 1611 A 62 ILE H A 61 TYR HA 1.0 . 2.86 1795 1612 A 54 LYS H A 53 TYR HA 1.0 . 2.93 1796 1613 A 53 TYR HA A 62 ILE HA 1.0 . 3.66 1797 1614 A 53 TYR HA A 53 TYR HBx 1.0 . 2.92 1798 1614 A 53 TYR HA A 53 TYR HBy 1.0 . 2.92 1799 1615 A 53 TYR HA A 60 ILE HG2% 1.0 . 4.78 1800 1616 A 53 TYR HA A 63 TYR HD% 1.0 . 3.98 1801 1617 A 53 TYR HA A 54 LYS HEx 1.0 . 5.46 1802 1617 A 53 TYR HA A 54 LYS HEy 1.0 . 5.46 1803 1618 A 86 VAL H A 77 CYS HA 1.0 . 5.16 1804 1619 A 75 LEU H A 61 TYR HA 1.0 . 4.01 1805 1620 A 12 ILE HD1% A 29 PHE HBx 1.0 . 5.50 1806 1621 A 16 TRP HE1 A 12 ILE HD1% 1.0 . 4.17 1807 1622 A 12 ILE HA A 12 ILE HD1% 1.0 . 2.98 1808 1623 A 84 LEU HDy% A 12 ILE HD1% 1.0 . 3.64 1809 1624 A 12 ILE HD1% A 12 ILE HB 1.0 . 3.37 1810 1625 A 12 ILE HD1% A 7 LEU HDy% 1.0 . 3.16 1811 1626 A 87 GLU H A 77 CYS HA 1.0 . 3.46 1812 1627 A 77 CYS HA A 78 LYS H 1.0 . 2.67 1813 1628 A 77 CYS HA A 86 VAL HGx% 1.0 . 4.25 1814 1629 A 77 CYS HA A 86 VAL HA 1.0 . 3.07 1815 1630 A 84 LEU HDx% A 77 CYS HA 1.0 . 4.90 1816 1631 A 67 PRO HA A 66 TYR HA 1.0 . 2.78 1817 1632 A 66 TYR HD% A 66 TYR HA 1.0 . 3.78 1818 1633 A 3 ASP H A 2 GLU HA 1.0 . 2.78 1819 1634 A 2 GLU HA A 2 GLU HBy 1.0 . 2.94 1820 1634 A 2 GLU HA A 2 GLU HBx 1.0 . 2.94 1821 1635 A 27 LEU H A 17 SER HA 1.0 . 4.32 1822 1636 A 17 SER HA A 18 THR H 1.0 . 3.08 1823 1637 A 95 TYR HD% A 17 SER HA 1.0 . 3.81 1824 1637 A 17 SER HA A 95 TYR HE% 1.0 . 3.81 1825 1638 A 17 SER HA A 18 THR HG2% 1.0 . 4.69 1826 1639 A 26 LEU HBy A 17 SER HA 1.0 . 5.28 1827 1640 A 16 TRP HA A 17 SER H 1.0 . 2.96 1828 1641 A 16 TRP HA A 97 LYS HA 1.0 . 3.28 1829 1642 A 26 LEU HDx% A 16 TRP HA 1.0 . 4.76 1830 1643 A 98 GLN H A 16 TRP HA 1.0 . 4.47 1831 1644 A 60 ILE H A 60 ILE HD1% 1.0 . 4.26 1832 1645 A 60 ILE HD1% A 59 ARG HA 1.0 . 5.32 1833 1646 A 12 ILE HD1% A 60 ILE HD1% 1.0 . 3.64 1834 1647 A 75 LEU H A 60 ILE HD1% 1.0 . 5.17 1835 1648 A 61 TYR H A 60 ILE HD1% 1.0 . 5.24 1836 1649 A 29 PHE HE% A 60 ILE HD1% 1.0 . 3.40 1837 1650 A 60 ILE HD1% A 60 ILE HA 1.0 . 4.15 1838 1651 A 77 CYS HBy A 60 ILE HD1% 1.0 . 4.54 1839 1652 A 60 ILE HB A 60 ILE HD1% 1.0 . 3.23 1840 1653 A 84 LEU HDx% A 60 ILE HD1% 1.0 . 3.85 1841 1654 A 84 LEU HDy% A 60 ILE HD1% 1.0 . 5.05 1842 1655 A 24 HIS H A 25 LYS HA 1.0 . 5.13 1843 1656 A 8 ASN H A 7 LEU HA 1.0 . 2.72 1844 1657 A 11 ASN HD2x A 7 LEU HA 1.0 . 3.42 1845 1658 A 7 LEU HG A 7 LEU HA 1.0 . 3.20 1846 1659 A 26 LEU H A 25 LYS HA 1.0 . 2.97 1847 1660 A 39 ILE HA A 25 LYS HA 1.0 . 3.43 1848 1661 A 74 TYR H A 73 TYR HA 1.0 . 3.04 1849 1662 A 73 TYR HBx A 73 TYR HA 1.0 . 2.82 1850 1663 A 99 LYS H A 98 GLN HA 1.0 . 3.41 1851 1664 A 37 PHE HA A 27 LEU HDx% 1.0 . 4.94 1852 1665 A 19 GLY HAx A 20 ILE HD1% 1.0 . 5.24 1853 1666 A 20 ILE HA A 20 ILE HD1% 1.0 . 4.53 1854 1667 A 20 ILE HB A 20 ILE HD1% 1.0 . 3.63 1855 1668 A 20 ILE H A 20 ILE HD1% 1.0 . 4.18 1856 1669 A 37 PHE HA A 38 GLY H 1.0 . 2.95 1857 1670 A 37 PHE HA A 27 LEU HA 1.0 . 3.42 1858 1671 A 42 ASN HD2x A 21 GLU HA 1.0 . 4.59 1859 1672 A 22 GLY H A 21 GLU HA 1.0 . 2.80 1860 1673 A 21 GLU HA A 21 GLU HGx 1.0 . 3.43 1861 1673 A 21 GLU HA A 21 GLU HGy 1.0 . 3.43 1862 1674 A 21 GLU HA A 21 GLU HBx 1.0 . 2.74 1863 1674 A 21 GLU HBy A 21 GLU HA 1.0 . 2.74 1864 1675 A 42 ASN HBx A 21 GLU HA 1.0 . 5.29 1865 1676 A 77 CYS HA A 78 LYS HA 1.0 . 4.64 1866 1677 A 36 SER HA A 37 PHE HA 1.0 . 4.93 1867 1678 A 95 TYR H A 85 LYS HA 1.0 . 3.90 1868 1679 A 71 THR H A 70 LYS HA 1.0 . 2.64 1869 1680 A 70 LYS HA A 70 LYS HGy 1.0 . 3.20 1870 1680 A 70 LYS HGx A 70 LYS HA 1.0 . 3.20 1871 1681 A 20 ILE HG1y A 21 GLU HA 1.0 . 4.47 1872 1682 A 55 ILE H A 54 LYS HA 1.0 . 2.67 1873 1683 A 79 ILE H A 78 LYS HA 1.0 . 2.82 1874 1684 A 78 LYS HGy A 78 LYS HA 1.0 . 3.35 1875 1685 A 13 ILE H A 11 ASN HA 1.0 . 4.39 1876 1686 A 85 LYS HBy A 78 LYS HA 1.0 . 4.74 1877 1687 A 86 VAL H A 85 LYS HA 1.0 . 2.75 1878 1688 A 85 LYS HA A 4 TRP HH2 1.0 . 5.16 1879 1689 A 63 TYR HA A 64 ASP H 1.0 . 3.36 1880 1690 A 60 ILE H A 59 ARG HA 1.0 . 3.17 1881 1691 A 11 ASN HBy A 11 ASN HA 1.0 . 2.92 1882 1692 A 11 ASN HA A 11 ASN HBx 1.0 . 2.91 1883 1693 A 25 LYS HA A 39 ILE HD1% 1.0 . 5.40 1884 1694 A 25 LYS HEy A 39 ILE HD1% 1.0 . 4.71 1885 1695 A 39 ILE H A 39 ILE HD1% 1.0 . 4.37 1886 1696 A 37 PHE HE% A 39 ILE HD1% 1.0 . 3.81 1887 1697 A 39 ILE HA A 39 ILE HD1% 1.0 . 4.47 1888 1698 A 47 SER HBy A 39 ILE HD1% 1.0 . 3.95 1889 1699 A 47 SER HBx A 39 ILE HD1% 1.0 . 4.13 1890 1700 A 25 LYS HEx A 39 ILE HD1% 1.0 . 4.14 1891 1701 A 25 LYS HDy A 39 ILE HD1% 1.0 . 4.91 1892 1702 A 39 ILE HB A 39 ILE HD1% 1.0 . 3.50 1893 1703 A 27 LEU H A 26 LEU HA 1.0 . 2.80 1894 1704 A 26 LEU HA A 17 SER HA 1.0 . 3.32 1895 1705 A 26 LEU HA A 17 SER HBx 1.0 . 4.43 1896 1705 A 26 LEU HA A 17 SER HBy 1.0 . 4.43 1897 1706 A 59 ARG HGy A 59 ARG HA 1.0 . 3.69 1898 1707 A 37 PHE H A 50 MET HA 1.0 . 3.99 1899 1708 A 26 LEU HA A 18 THR H 1.0 . 4.93 1900 1709 A 67 PRO HA A 68 ASP HA 1.0 . 4.61 1901 1710 A 64 ASP HA A 63 TYR HBy 1.0 . 5.33 1902 1711 A 77 CYS H A 76 ASP HA 1.0 . 2.69 1903 1712 A 76 ASP HA A 59 ARG HGx 1.0 . 3.98 1904 1713 A 76 ASP HA A 88 THR HG2% 1.0 . 5.10 1905 1714 A 50 MET H A 49 GLN HA 1.0 . 2.78 1906 1715 A 49 GLN HA A 67 PRO HDx 1.0 . 3.78 1907 1716 A 69 GLU H A 68 ASP HA 1.0 . 2.56 1908 1717 A 65 VAL HGy% A 64 ASP HA 1.0 . 5.06 1909 1718 A 85 LYS H A 84 LEU HA 1.0 . 2.83 1910 1719 A 84 LEU HDy% A 84 LEU HA 1.0 . 4.24 1911 1720 A 12 ILE HG2% A 13 ILE HD1% 1.0 . 4.14 1912 1721 A 31 GLU H A 13 ILE HD1% 1.0 . 4.07 1913 1722 A 14 GLY H A 13 ILE HD1% 1.0 . 4.37 1914 1723 A 13 ILE HD1% A 13 ILE H 1.0 . 3.78 1915 1724 A 13 ILE HD1% A 30 ASP HA 1.0 . 4.20 1916 1725 A 13 ILE HD1% A 10 ASN HA 1.0 . 3.48 1917 1726 A 13 ILE HD1% A 31 GLU HA 1.0 . 3.07 1918 1727 A 13 ILE HD1% A 13 ILE HA 1.0 . 3.42 1919 1728 A 13 ILE HD1% A 31 GLU HGy 1.0 . 3.78 1920 1728 A 13 ILE HD1% A 31 GLU HGx 1.0 . 3.78 1921 1729 A 13 ILE HD1% A 31 GLU HBx 1.0 . 3.40 1922 1729 A 13 ILE HD1% A 31 GLU HBy 1.0 . 3.40 1923 1730 A 13 ILE HD1% A 13 ILE HB 1.0 . 3.38 1924 1731 A 13 ILE HD1% A 13 ILE HG2% 1.0 . 2.93 1925 1732 A 13 ILE HD1% A 30 ASP HBx 1.0 . 5.03 1926 1733 A 96 LYS HA A 97 LYS HBy 1.0 . 5.16 1927 1734 A 32 ASP HBy A 32 ASP HA 1.0 . 2.84 1928 1735 A 32 ASP HBx A 32 ASP HA 1.0 . 2.90 1929 1736 A 92 ALA HA A 93 GLY H 1.0 . 2.72 1930 1737 A 92 ALA HA A 86 VAL HB 1.0 . 3.07 1931 1738 A 37 PHE HBy A 27 LEU HA 1.0 . 4.73 1932 1739 A 84 LEU HG A 84 LEU HA 1.0 . 3.48 1933 1740 A 23 THR HG2% A 24 HIS HA 1.0 . 4.08 1934 1741 A 4 TRP H A 3 ASP HA 1.0 . 2.66 1935 1742 A 60 ILE H A 75 LEU HA 1.0 . 5.40 1936 1743 A 62 ILE HD1% A 55 ILE HD1% 1.0 . 5.50 1937 1744 A 16 TRP HZ3 A 96 LYS HA 1.0 . 4.87 1938 1745 A 76 ASP H A 75 LEU HA 1.0 . 2.76 1939 1746 A 40 TYR HA A 46 ILE HD1% 1.0 . 4.29 1940 1747 A 41 SER HBx A 46 ILE HD1% 1.0 . 3.62 1941 1748 A 46 ILE H A 46 ILE HD1% 1.0 . 4.50 1942 1749 A 41 SER H A 46 ILE HD1% 1.0 . 4.53 1943 1750 A 44 THR HB A 46 ILE HD1% 1.0 . 4.40 1944 1751 A 46 ILE HD1% A 46 ILE HA 1.0 . 3.39 1945 1752 A 41 SER HBy A 46 ILE HD1% 1.0 . 3.82 1946 1753 A 46 ILE HB A 46 ILE HD1% 1.0 . 3.72 1947 1754 A 47 SER H A 46 ILE HD1% 1.0 . 5.11 1948 1755 A 53 TYR H A 52 ASP HA 1.0 . 3.02 1949 1756 A 31 GLU H A 30 ASP HA 1.0 . 2.74 1950 1757 A 30 ASP HA A 31 GLU HBx 1.0 . 4.24 1951 1757 A 30 ASP HA A 31 GLU HBy 1.0 . 4.24 1952 1758 A 61 TYR H A 55 ILE HD1% 1.0 . 5.00 1953 1759 A 54 LYS H A 55 ILE HD1% 1.0 . 5.38 1954 1760 A 55 ILE H A 55 ILE HD1% 1.0 . 3.69 1955 1761 A 12 ILE H A 55 ILE HD1% 1.0 . 5.07 1956 1762 A 55 ILE HA A 55 ILE HD1% 1.0 . 3.15 1957 1763 A 8 ASN HA A 55 ILE HD1% 1.0 . 4.81 1958 1764 A 60 ILE HA A 55 ILE HD1% 1.0 . 3.50 1959 1765 A 9 SER HA A 55 ILE HD1% 1.0 . 4.00 1960 1766 A 55 ILE HB A 55 ILE HD1% 1.0 . 3.73 1961 1767 A 60 ILE HG1x A 55 ILE HD1% 1.0 . 3.10 1962 1768 A 12 ILE HD1% A 55 ILE HD1% 1.0 . 4.36 1963 1769 A 58 GLY H A 55 ILE HD1% 1.0 . 4.99 1964 1770 A 52 ASP HA A 53 TYR HBx 1.0 . 4.70 1965 1770 A 53 TYR HBy A 52 ASP HA 1.0 . 4.70 1966 1771 A 52 ASP HA A 34 THR HB 1.0 . 4.47 1967 1772 A 44 THR H A 43 ALA HA 1.0 . 3.44 1968 1773 A 41 SER H A 43 ALA HA 1.0 . 5.30 1969 1774 A 8 ASN HA A 9 SER H 1.0 . 3.01 1970 1775 A 71 THR H A 72 PRO HDy 1.0 . 5.33 1971 1776 A 72 PRO HDx A 71 THR HG2% 1.0 . 3.72 1972 1777 A 54 LYS H A 62 ILE HD1% 1.0 . 5.28 1973 1778 A 62 ILE HD1% A 75 LEU HBy 1.0 . 4.06 1974 1779 A 62 ILE HD1% A 75 LEU HG 1.0 . 4.20 1975 1780 A 62 ILE HD1% A 63 TYR H 1.0 . 4.07 1976 1781 A 53 TYR HA A 62 ILE HD1% 1.0 . 3.45 1977 1782 A 62 ILE HD1% A 62 ILE HA 1.0 . 3.32 1978 1783 A 62 ILE HD1% A 53 TYR HBx 1.0 . 3.55 1979 1783 A 62 ILE HD1% A 53 TYR HBy 1.0 . 3.55 1980 1784 A 62 ILE HD1% A 62 ILE HG2% 1.0 . 3.21 1981 1785 A 62 ILE HD1% A 51 PHE HBy 1.0 . 5.19 1982 1786 A 44 THR HA A 45 PRO HDy 1.0 . 3.05 1983 1787 A 40 TYR HD% A 45 PRO HDx 1.0 . 5.31 1984 1788 A 44 THR HA A 45 PRO HDx 1.0 . 3.11 1985 1789 A 45 PRO HDx A 46 ILE HD1% 1.0 . 5.50 1986 1790 A 50 MET H A 67 PRO HDx 1.0 . 4.98 1987 1791 A 66 TYR HD% A 67 PRO HDy 1.0 . 4.88 1988 1792 A 67 PRO HDy A 49 GLN HA 1.0 . 3.66 1989 1793 A 68 ASP H A 67 PRO HDx 1.0 . 4.40 1990 1794 A 65 VAL HGx% A 67 PRO HDx 1.0 . 5.46 1991 1795 A 63 TYR H A 63 TYR HD% 1.0 . 3.10 1992 1796 A 61 TYR HD% A 63 TYR HD% 1.0 . 3.44 1993 1797 A 63 TYR HD% A 62 ILE HA 1.0 . 3.81 1994 1798 A 64 ASP HBy A 63 TYR HD% 1.0 . 4.17 1995 1799 A 52 ASP HBx A 63 TYR HD% 1.0 . 4.73 1996 1800 A 62 ILE HG2% A 63 TYR HD% 1.0 . 4.57 1997 1801 A 54 LYS H A 63 TYR HD% 1.0 . 4.41 1998 1802 A 74 TYR H A 73 TYR HD% 1.0 . 3.80 1999 1803 A 73 TYR HD% A 73 TYR H 1.0 . 3.47 2000 1804 A 73 TYR HD% A 72 PRO HA 1.0 . 3.92 2001 1805 A 73 TYR HD% A 75 LEU HG 1.0 . 4.29 2002 1806 A 73 TYR HD% A 75 LEU HDy% 1.0 . 3.33 2003 1807 A 73 TYR HD% A 73 TYR HA 1.0 . 3.87 2004 1808 A 50 MET H A 66 TYR HD% 1.0 . 4.37 2005 1809 A 66 TYR HD% A 50 MET HBx 1.0 . 4.00 2006 1810 A 66 TYR H A 66 TYR HD% 1.0 . 3.88 2007 1811 A 67 PRO HA A 66 TYR HD% 1.0 . 3.14 2008 1812 A 66 TYR HD% A 67 PRO HDx 1.0 . 3.87 2009 1813 A 49 GLN HBx A 66 TYR HD% 1.0 . 4.57 2010 1814 A 61 TYR HD% A 74 TYR HD% 1.0 . 4.21 2011 1815 A 74 TYR HD% A 73 TYR HA 1.0 . 3.92 2012 1816 A 74 TYR HD% A 61 TYR HA 1.0 . 3.73 2013 1817 A 74 TYR HD% A 59 ARG HBx 1.0 . 3.05 2014 1818 A 74 TYR HD% A 74 TYR H 1.0 . 3.22 2015 1819 A 74 TYR HD% A 60 ILE H 1.0 . 4.66 2016 1820 A 74 TYR HD% A 74 TYR HA 1.0 . 3.43 2017 1821 A 16 TRP H A 15 TYR HD% 1.0 . 4.20 2018 1822 A 14 GLY HAx A 15 TYR HD% 1.0 . 4.54 2019 1823 A 15 TYR H A 15 TYR HD% 1.0 . 3.67 2020 1824 A 15 TYR HA A 15 TYR HD% 1.0 . 3.62 2021 1825 A 28 SER HBx A 15 TYR HD% 1.0 . 3.43 2022 1826 A 26 LEU HDx% A 15 TYR HD% 1.0 . 3.29 2023 1827 A 28 SER HA A 15 TYR HD% 1.0 . 4.64 2024 1828 A 15 TYR HD% A 98 GLN HGx 1.0 . 4.47 2025 1828 A 98 GLN HGy A 15 TYR HD% 1.0 . 4.47 2026 1829 A 54 LYS H A 61 TYR HD% 1.0 . 4.98 2027 1830 A 61 TYR HD% A 61 TYR HA 1.0 . 3.12 2028 1831 A 61 TYR HD% A 62 ILE H 1.0 . 3.69 2029 1832 A 61 TYR HD% A 54 LYS HBx 1.0 . 3.85 2030 1833 A 25 LYS HA A 40 TYR HD% 1.0 . 3.90 2031 1834 A 40 TYR HD% A 45 PRO HBy 1.0 . 3.60 2032 1835 A 40 TYR H A 40 TYR HD% 1.0 . 3.24 2033 1836 A 40 TYR HD% A 44 THR HA 1.0 . 4.23 2034 1837 A 39 ILE HA A 40 TYR HD% 1.0 . 4.15 2035 1838 A 40 TYR HD% A 45 PRO HA 1.0 . 3.34 2036 1839 A 26 LEU H A 40 TYR HD% 1.0 . 4.09 2037 1840 A 84 LEU HDy% A 29 PHE HD% 1.0 . 4.94 2038 1841 A 29 PHE HD% A 29 PHE H 1.0 . 3.76 2039 1842 A 29 PHE HD% A 12 ILE HD1% 1.0 . 4.07 2040 1843 A 16 TRP HE1 A 29 PHE HD% 1.0 . 3.29 2041 1844 A 28 SER HA A 29 PHE HD% 1.0 . 4.39 2042 1845 A 29 PHE HD% A 29 PHE HA 1.0 . 3.60 2043 1846 A 29 PHE HD% A 28 SER H 1.0 . 4.29 2044 1847 A 26 LEU H A 37 PHE HD% 1.0 . 4.85 2045 1848 A 37 PHE HD% A 38 GLY H 1.0 . 3.52 2046 1849 A 37 PHE HD% A 37 PHE HA 1.0 . 3.21 2047 1850 A 37 PHE HD% A 27 LEU HA 1.0 . 4.02 2048 1851 A 37 PHE HD% A 27 LEU HG 1.0 . 3.50 2049 1852 A 27 LEU HDy% A 37 PHE HD% 1.0 . 3.23 2050 1853 A 37 PHE HD% A 27 LEU HDx% 1.0 . 3.91 2051 1854 A 91 GLU HGx A 37 PHE HD% 1.0 . 4.33 2052 1855 A 49 GLN HGx A 37 PHE HD% 1.0 . 4.26 2053 1856 A 48 PHE HD% A 48 PHE HA 1.0 . 3.67 2054 1857 A 38 GLY HAx A 48 PHE HD% 1.0 . 3.73 2055 1858 A 49 GLN H A 48 PHE HD% 1.0 . 4.41 2056 1859 A 48 PHE HA A 48 PHE HE% 1.0 . 4.44 2057 1860 A 48 PHE HD% A 50 MET HGx 1.0 . 4.64 2058 1861 A 25 LYS HBy A 37 PHE HE% 1.0 . 3.37 2059 1862 A 37 PHE HE% A 25 LYS HDy 1.0 . 3.63 2060 1863 A 37 PHE HE% A 39 ILE HG1y 1.0 . 4.92 2061 1864 A 37 PHE HE% A 91 GLU HGx 1.0 . 4.36 2062 1865 A 25 LYS HA A 37 PHE HE% 1.0 . 4.50 2063 1866 A 37 PHE HE% A 90 SER HBx 1.0 . 3.39 2064 1867 A 27 LEU HDx% A 29 PHE HZ 1.0 . 4.60 2065 1868 A 27 LEU HDy% A 29 PHE HZ 1.0 . 3.88 2066 1869 A 16 TRP HE1 A 29 PHE HE% 1.0 . 4.27 2067 1870 A 53 TYR HD% A 60 ILE HG2% 1.0 . 3.06 2068 1871 A 12 ILE HD1% A 29 PHE HE% 1.0 . 3.54 2069 1872 A 62 ILE HD1% A 53 TYR HD% 1.0 . 4.01 2070 1873 A 4 TRP H A 4 TRP HD1 1.0 . 3.48 2071 1874 A 4 TRP HD1 A 4 TRP HA 1.0 . 4.08 2072 1875 A 4 TRP HD1 A 3 ASP HA 1.0 . 4.62 2073 1876 A 4 TRP HD1 A 4 TRP HBx 1.0 . 3.00 2074 1877 A 4 TRP HD1 A 2 GLU HBx 1.0 . 4.19 2075 1878 A 12 ILE HD1% A 16 TRP HD1 1.0 . 4.65 2076 1879 A 16 TRP H A 16 TRP HD1 1.0 . 3.96 2077 1880 A 29 PHE H A 16 TRP HD1 1.0 . 4.12 2078 1881 A 29 PHE HE% A 16 TRP HD1 1.0 . 3.51 2079 1882 A 29 PHE HD% A 16 TRP HD1 1.0 . 3.02 2080 1883 A 28 SER HA A 16 TRP HD1 1.0 . 3.65 2081 1884 A 15 TYR HA A 16 TRP HD1 1.0 . 3.76 2082 1885 A 84 LEU HDy% A 16 TRP HD1 1.0 . 4.14 2083 1886 A 27 LEU HDx% A 16 TRP HD1 1.0 . 4.77 2084 1887 A 28 SER H A 16 TRP HD1 1.0 . 4.80 2085 1888 A 16 TRP HD1 A 27 LEU HBx 1.0 . 4.14 2086 1889 A 85 LYS H A 4 TRP HH2 1.0 . 5.14 2087 1890 A 4 TRP HH2 A 83 THR HG2% 1.0 . 2.74 2088 1891 A 84 LEU HBx A 16 TRP HH2 1.0 . 4.35 2089 1892 A 80 SER H A 4 TRP HH2 1.0 . 4.81 2090 1893 A 83 THR HB A 4 TRP HH2 1.0 . 4.22 2091 1894 A 84 LEU H A 16 TRP HH2 1.0 . 4.72 2092 1895 A 79 ILE HG1x A 16 TRP HH2 1.0 . 3.70 2093 1896 A 79 ILE HD1% A 16 TRP HH2 1.0 . 3.30 2094 1897 A 84 LEU H A 16 TRP HZ3 1.0 . 3.84 2095 1898 A 97 LYS H A 16 TRP HZ3 1.0 . 4.08 2096 1899 A 16 TRP HZ3 A 83 THR HA 1.0 . 3.65 2097 1900 A 82 THR HA A 16 TRP HZ3 1.0 . 4.08 2098 1901 A 16 TRP HZ3 A 97 LYS HBx 1.0 . 3.47 2099 1902 A 16 TRP HZ3 A 97 LYS HA 1.0 . 5.01 2100 1903 A 79 ILE HG1x A 16 TRP HZ3 1.0 . 4.75 2101 1904 A 84 LEU HBx A 16 TRP HZ3 1.0 . 3.95 2102 1905 A 80 SER H A 4 TRP HE3 1.0 . 4.70 2103 1906 A 4 TRP HE3 A 79 ILE HA 1.0 . 4.12 2104 1907 A 4 TRP HE3 A 4 TRP HA 1.0 . 3.38 2105 1908 A 4 TRP HE3 A 80 SER HBx 1.0 . 4.39 2106 1909 A 4 TRP HE3 A 78 LYS HBx 1.0 . 4.26 2107 1910 A 85 LYS H A 4 TRP HZ3 1.0 . 4.64 2108 1911 A 80 SER H A 4 TRP HZ3 1.0 . 4.54 2109 1912 A 83 THR HB A 4 TRP HZ3 1.0 . 4.09 2110 1913 A 4 TRP HZ3 A 83 THR HG2% 1.0 . 3.63 2111 1914 A 78 LYS HBy A 4 TRP HZ3 1.0 . 4.82 2112 1915 A 24 HIS HD2 A 24 HIS H 1.0 . 4.28 2113 1916 A 24 HIS HD2 A 26 LEU HDy% 1.0 . 4.20 2114 1917 A 84 LEU H A 16 TRP HE3 1.0 . 4.18 2115 1918 A 16 TRP HE3 A 97 LYS HA 1.0 . 3.68 2116 1919 A 95 TYR HBy A 16 TRP HE3 1.0 . 3.63 2117 1920 A 16 TRP HE3 A 16 TRP HBy 1.0 . 3.27 2118 1921 A 95 TYR HBx A 16 TRP HE3 1.0 . 3.27 2119 1922 A 16 TRP HE3 A 97 LYS HBx 1.0 . 4.54 2120 1923 A 84 LEU HBx A 16 TRP HE3 1.0 . 3.65 2121 1924 A 16 TRP HA A 16 TRP HE3 1.0 . 3.73 2122 1925 A 97 LYS H A 16 TRP HE3 1.0 . 3.98 2123 1926 A 66 TYR HE% A 67 PRO HDx 1.0 . 4.57 2124 1927 A 49 GLN HA A 66 TYR HE% 1.0 . 4.82 2125 1928 A 67 PRO HA A 66 TYR HE% 1.0 . 3.90 2126 1929 A 50 MET HBx A 66 TYR HE% 1.0 . 4.50 2127 1930 A 28 SER HBx A 15 TYR HE% 1.0 . 3.57 2128 1931 A 74 TYR HE% A 56 GLU HBy 1.0 . 3.22 2129 1932 A 74 TYR HE% A 61 TYR HD% 1.0 . 3.56 2130 1933 A 74 TYR HE% A 61 TYR HBy 1.0 . 4.43 2131 1934 A 74 TYR HE% A 61 TYR HA 1.0 . 4.73 2132 1935 A 26 LEU H A 40 TYR HE% 1.0 . 4.08 2133 1936 A 38 GLY H A 40 TYR HE% 1.0 . 4.69 2134 1937 A 40 TYR HE% A 45 PRO HDy 1.0 . 4.26 2135 1938 A 38 GLY HAx A 40 TYR HE% 1.0 . 3.36 2136 1939 A 63 TYR HE% A 54 LYS HBx 1.0 . 4.23 2137 1940 A 63 TYR HE% A 54 LYS HA 1.0 . 4.66 2138 1941 A 54 LYS H A 63 TYR HE% 1.0 . 3.94 2139 1942 A 53 TYR H A 63 TYR HE% 1.0 . 4.31 2140 1943 A 63 TYR HE% A 53 TYR HBx 1.0 . 5.26 2141 1943 A 53 TYR HBy A 63 TYR HE% 1.0 . 5.26 2142 1944 A 63 TYR HE% A 54 LYS HEx 1.0 . 3.61 2143 1944 A 63 TYR HE% A 54 LYS HEy 1.0 . 3.61 2144 1945 A 63 TYR HE% A 54 LYS HGx 1.0 . 3.17 2145 1946 A 52 ASP HBx A 63 TYR HE% 1.0 . 3.86 2146 1947 A 63 TYR H A 63 TYR HE% 1.0 . 4.68 2147 1948 A 73 TYR H A 61 TYR HE% 1.0 . 4.71 2148 1949 A 73 TYR H A 73 TYR HE% 1.0 . 5.11 2149 1950 A 70 LYS HBy A 73 TYR HE% 1.0 . 3.79 2150 1951 A 73 TYR HE% A 70 LYS HDy 1.0 . 4.01 2151 1952 A 75 LEU HDy% A 73 TYR HE% 1.0 . 2.67 2152 1953 A 62 ILE HD1% A 73 TYR HE% 1.0 . 4.47 2153 1954 A 62 ILE H A 61 TYR HE% 1.0 . 5.14 2154 1955 A 63 TYR HD% A 61 TYR HE% 1.0 . 4.17 2155 1956 A 72 PRO HBx A 61 TYR HE% 1.0 . 3.47 2156 1957 A 61 TYR HE% A 63 TYR HBx 1.0 . 3.96 2157 1958 A 85 LYS HGx A 4 TRP HZ2 1.0 . 4.80 2158 1959 A 4 TRP HZ2 A 83 THR HG2% 1.0 . 3.38 2159 1960 A 12 ILE HA A 16 TRP HZ2 1.0 . 3.03 2160 1961 A 16 TRP HZ2 A 97 LYS HEx 1.0 . 3.50 2161 1961 A 16 TRP HZ2 A 97 LYS HEy 1.0 . 3.50 2162 1962 A 16 TRP HZ2 A 79 ILE HD1% 1.0 . 3.17 2163 1963 A 84 LEU HDy% A 16 TRP HZ2 1.0 . 4.38 2164 1964 A 16 TRP HZ2 A 12 ILE HB 1.0 . 4.59 2165 1965 A 84 LEU HDx% A 16 TRP HZ2 1.0 . 5.06 2166 1966 A 12 ILE HD1% A 16 TRP HZ2 1.0 . 3.52 stop_ save_