data_nef_c25638_2n39 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2N39 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 PRO middle . false 3 A 3 LEU middle . . 4 A 4 GLY middle . false 5 A 5 SER middle . . 6 A 6 LEU middle . . 7 A 7 ASP middle . . 8 A 8 GLN middle . . 9 A 9 LYS middle . . 10 A 10 THR middle . . 11 A 11 PHE middle . . 12 A 12 SER middle . . 13 A 13 ILE middle . . 14 A 14 CYS middle . . 15 A 15 LYS middle . . 16 A 16 GLU middle . . 17 A 17 ARG middle . . 18 A 18 MET middle . . 19 A 19 ARG middle . . 20 A 20 PRO middle . false 21 A 21 VAL middle . . 22 A 22 LYS middle . . 23 A 23 ALA middle . . 24 A 24 ALA middle . . 25 A 25 LEU middle . . 26 A 26 LYS middle . . 27 A 27 GLN middle . . 28 A 28 LEU middle . . 29 A 29 ASP middle . . 30 A 30 ARG middle . . 31 A 31 PRO middle . false 32 A 32 GLU middle . . 33 A 33 LYS middle . . 34 A 34 GLY middle . false 35 A 35 LEU middle . . 36 A 36 SER middle . . 37 A 37 GLU middle . . 38 A 38 ARG middle . . 39 A 39 GLU middle . . 40 A 40 GLN middle . . 41 A 41 LEU middle . . 42 A 42 GLU middle . . 43 A 43 HIS middle . . 44 A 44 THR middle . . 45 A 45 ARG middle . . 46 A 46 GLN middle . . 47 A 47 CYS middle . . 48 A 48 LEU middle . . 49 A 49 ILE middle . . 50 A 50 LYS middle . . 51 A 51 ILE middle . . 52 A 52 GLY middle . false 53 A 53 ASP middle . . 54 A 54 HIS middle . . 55 A 55 ILE middle . . 56 A 56 THR middle . . 57 A 57 GLU middle . . 58 A 58 CYS middle . . 59 A 59 LEU middle . . 60 A 60 LYS middle . . 61 A 61 GLU middle . . 62 A 62 TYR middle . . 63 A 63 THR middle . . 64 A 64 ASN middle . . 65 A 65 PRO middle . false 66 A 66 GLU middle . . 67 A 67 GLN middle . . 68 A 68 ILE middle . . 69 A 69 LYS middle . . 70 A 70 GLN middle . . 71 A 71 TRP middle . . 72 A 72 ARG middle . . 73 A 73 LYS middle . . 74 A 74 ASN middle . . 75 A 75 LEU middle . . 76 A 76 TRP middle . . 77 A 77 ILE middle . . 78 A 78 PHE middle . . 79 A 79 VAL middle . . 80 A 80 SER middle . . 81 A 81 LYS middle . . 82 A 82 PHE middle . . 83 A 83 THR middle . . 84 A 84 GLU middle . . 85 A 85 PHE middle . . 86 A 86 ASP middle . . 87 A 87 ALA middle . . 88 A 88 ARG middle . . 89 A 89 LYS middle . . 90 A 90 LEU middle . . 91 A 91 HIS middle . . 92 A 92 LYS middle . . 93 A 93 LEU middle . . 94 A 94 TYR middle . . 95 A 95 LYS middle . . 96 A 96 HIS middle . . 97 A 97 ALA middle . . 98 A 98 ILE middle . . 99 A 99 LYS middle . . 100 A 100 LYS middle . . 101 A 101 ARG middle . . 102 A 102 GLN middle . . 103 A 103 GLU middle . . 104 A 104 SER middle . . 105 A 105 GLN middle . . 106 A 106 GLN middle . . 107 A 107 ASN middle . . 108 A 108 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 PRO HA H 1 4.445 0.02 A 2 PRO HBx H 1 2.309 0.02 A 2 PRO HBy H 1 2.309 0.02 A 2 PRO HDx H 1 3.561 0.02 A 2 PRO HDy H 1 3.561 0.02 A 2 PRO HGy H 1 1.978 0.02 A 2 PRO HGx H 1 1.943 0.02 A 2 PRO C C 13 176.739 0.30 A 2 PRO CA C 13 63.306 0.30 A 2 PRO CB C 13 32.468 0.30 A 2 PRO CD C 13 50.052 0.30 A 2 PRO CG C 13 27.375 0.30 A 3 LEU H H 1 8.522 0.02 A 3 LEU HA H 1 4.297 0.02 A 3 LEU HBy H 1 1.683 0.02 A 3 LEU HBx H 1 1.614 0.02 A 3 LEU HDx% H 1 0.925 0.02 A 3 LEU HDy% H 1 0.849 0.02 A 3 LEU C C 13 177.526 0.30 A 3 LEU CA C 13 55.529 0.30 A 3 LEU CB C 13 42.150 0.30 A 3 LEU CDy C 13 25.124 0.30 A 3 LEU CDx C 13 23.739 0.30 A 3 LEU CG C 13 26.900 0.30 A 3 LEU N N 15 122.239 0.10 A 4 GLY H H 1 8.349 0.02 A 4 GLY HAx H 1 3.945 0.02 A 4 GLY HAy H 1 3.945 0.02 A 4 GLY C C 13 173.280 0.30 A 4 GLY CA C 13 45.333 0.30 A 4 GLY N N 15 109.572 0.10 A 5 SER H H 1 8.119 0.02 A 5 SER HA H 1 4.513 0.02 A 5 SER HBx H 1 3.802 0.02 A 5 SER HBy H 1 3.802 0.02 A 5 SER C C 13 173.317 0.30 A 5 SER CA C 13 57.801 0.30 A 5 SER CB C 13 64.536 0.30 A 5 SER N N 15 115.481 0.10 A 6 LEU H H 1 8.319 0.02 A 6 LEU HA H 1 4.654 0.02 A 6 LEU HBx H 1 1.474 0.02 A 6 LEU HBy H 1 1.894 0.02 A 6 LEU HDx% H 1 0.895 0.02 A 6 LEU HDy% H 1 1.141 0.02 A 6 LEU HG H 1 1.790 0.02 A 6 LEU C C 13 176.582 0.30 A 6 LEU CA C 13 53.922 0.30 A 6 LEU CB C 13 44.606 0.30 A 6 LEU CDx C 13 23.230 0.30 A 6 LEU CDy C 13 26.425 0.30 A 6 LEU CG C 13 26.420 0.30 A 6 LEU N N 15 121.895 0.10 A 7 ASP H H 1 8.318 0.02 A 7 ASP HA H 1 4.606 0.02 A 7 ASP HBx H 1 2.751 0.02 A 7 ASP HBy H 1 3.081 0.02 A 7 ASP C C 13 175.127 0.30 A 7 ASP CA C 13 53.218 0.30 A 7 ASP CB C 13 40.958 0.30 A 7 ASP N N 15 121.978 0.10 A 8 GLN H H 1 8.746 0.02 A 8 GLN HA H 1 4.086 0.02 A 8 GLN HBx H 1 2.170 0.02 A 8 GLN HBy H 1 2.170 0.02 A 8 GLN HGx H 1 2.498 0.02 A 8 GLN HGy H 1 2.498 0.02 A 8 GLN C C 13 178.360 0.30 A 8 GLN CA C 13 59.825 0.30 A 8 GLN CB C 13 28.484 0.30 A 8 GLN CG C 13 33.795 0.30 A 8 GLN N N 15 119.885 0.10 A 9 LYS H H 1 8.454 0.02 A 9 LYS HA H 1 4.197 0.02 A 9 LYS HBx H 1 1.948 0.02 A 9 LYS HBy H 1 1.948 0.02 A 9 LYS HDx H 1 1.757 0.02 A 9 LYS HDy H 1 1.757 0.02 A 9 LYS HGy H 1 1.568 0.02 A 9 LYS HGx H 1 1.483 0.02 A 9 LYS C C 13 178.983 0.30 A 9 LYS CA C 13 59.374 0.30 A 9 LYS CB C 13 31.957 0.30 A 9 LYS CD C 13 29.198 0.30 A 9 LYS CG C 13 24.952 0.30 A 9 LYS N N 15 120.863 0.10 A 10 THR H H 1 8.531 0.02 A 10 THR HA H 1 3.985 0.02 A 10 THR HB H 1 4.095 0.02 A 10 THR HG2% H 1 1.059 0.02 A 10 THR C C 13 176.554 0.30 A 10 THR CA C 13 67.618 0.30 A 10 THR CB C 13 67.523 0.30 A 10 THR CG2 C 13 22.810 0.30 A 10 THR N N 15 118.654 0.10 A 11 PHE H H 1 9.296 0.02 A 11 PHE HA H 1 3.994 0.02 A 11 PHE HBy H 1 3.362 0.02 A 11 PHE HBx H 1 3.149 0.02 A 11 PHE HDx H 1 7.350 0.02 A 11 PHE HDy H 1 7.350 0.02 A 11 PHE HEx H 1 7.429 0.02 A 11 PHE HEy H 1 7.429 0.02 A 11 PHE C C 13 176.326 0.30 A 11 PHE CA C 13 63.219 0.30 A 11 PHE CB C 13 39.346 0.30 A 11 PHE CDy C 13 131.665 0.30 A 11 PHE N N 15 123.876 0.10 A 12 SER H H 1 8.306 0.02 A 12 SER HA H 1 4.151 0.02 A 12 SER HBx H 1 3.989 0.02 A 12 SER HBy H 1 3.989 0.02 A 12 SER C C 13 176.572 0.30 A 12 SER CA C 13 62.899 0.30 A 12 SER CB C 13 63.194 0.30 A 12 SER N N 15 114.219 0.10 A 13 ILE H H 1 7.897 0.02 A 13 ILE HA H 1 3.837 0.02 A 13 ILE HB H 1 1.898 0.02 A 13 ILE HD1% H 1 0.816 0.02 A 13 ILE HG1x H 1 1.152 0.02 A 13 ILE HG1y H 1 1.152 0.02 A 13 ILE HG2% H 1 0.792 0.02 A 13 ILE C C 13 178.213 0.30 A 13 ILE CA C 13 65.100 0.30 A 13 ILE CB C 13 38.310 0.30 A 13 ILE CD1 C 13 14.005 0.30 A 13 ILE CG1 C 13 28.970 0.30 A 13 ILE CG2 C 13 18.023 0.30 A 13 ILE N N 15 123.613 0.10 A 14 CYS H H 1 8.329 0.02 A 14 CYS HA H 1 3.551 0.02 A 14 CYS HBx H 1 0.911 0.02 A 14 CYS HBy H 1 1.593 0.02 A 14 CYS C C 13 174.660 0.30 A 14 CYS CA C 13 64.572 0.30 A 14 CYS CB C 13 26.721 0.30 A 14 CYS N N 15 118.125 0.10 A 15 LYS H H 1 8.025 0.02 A 15 LYS HA H 1 3.149 0.02 A 15 LYS HBx H 1 1.821 0.02 A 15 LYS HBy H 1 1.821 0.02 A 15 LYS HGx H 1 1.306 0.02 A 15 LYS HGy H 1 1.491 0.02 A 15 LYS C C 13 179.846 0.30 A 15 LYS CA C 13 59.732 0.30 A 15 LYS CB C 13 32.092 0.30 A 15 LYS CG C 13 24.900 0.30 A 15 LYS N N 15 118.532 0.10 A 16 GLU H H 1 7.403 0.02 A 16 GLU HA H 1 4.027 0.02 A 16 GLU HBx H 1 2.119 0.02 A 16 GLU HBy H 1 2.119 0.02 A 16 GLU HGx H 1 2.304 0.02 A 16 GLU HGy H 1 2.304 0.02 A 16 GLU C C 13 179.609 0.30 A 16 GLU CA C 13 59.142 0.30 A 16 GLU CB C 13 29.113 0.30 A 16 GLU CG C 13 35.531 0.30 A 16 GLU N N 15 118.138 0.10 A 17 ARG H H 1 8.325 0.02 A 17 ARG HA H 1 4.063 0.02 A 17 ARG HBy H 1 1.897 0.02 A 17 ARG HBx H 1 1.752 0.02 A 17 ARG HDx H 1 2.878 0.02 A 17 ARG HDy H 1 2.940 0.02 A 17 ARG HGx H 1 1.733 0.02 A 17 ARG HGy H 1 1.733 0.02 A 17 ARG C C 13 178.194 0.30 A 17 ARG CA C 13 58.155 0.30 A 17 ARG CB C 13 29.967 0.30 A 17 ARG CD C 13 42.800 0.30 A 17 ARG CG C 13 27.113 0.30 A 17 ARG N N 15 117.969 0.10 A 18 MET H H 1 7.718 0.02 A 18 MET HA H 1 4.561 0.02 A 18 MET HBx H 1 1.739 0.02 A 18 MET HBy H 1 2.239 0.02 A 18 MET HE% H 1 1.790 0.02 A 18 MET HGx H 1 1.992 0.02 A 18 MET HGy H 1 2.436 0.02 A 18 MET C C 13 175.540 0.30 A 18 MET CA C 13 53.377 0.30 A 18 MET CB C 13 29.724 0.30 A 18 MET CE C 13 17.216 0.30 A 18 MET CG C 13 33.920 0.30 A 18 MET N N 15 113.332 0.10 A 19 ARG H H 1 7.152 0.02 A 19 ARG HA H 1 4.151 0.02 A 19 ARG HBx H 1 1.898 0.02 A 19 ARG HBy H 1 2.005 0.02 A 19 ARG HDx H 1 3.139 0.02 A 19 ARG HDy H 1 3.139 0.02 A 19 ARG HGx H 1 1.644 0.02 A 19 ARG HGy H 1 1.841 0.02 A 19 ARG C C 13 175.206 0.30 A 19 ARG CA C 13 61.133 0.30 A 19 ARG CB C 13 28.258 0.30 A 19 ARG CD C 13 43.791 0.30 A 19 ARG CG C 13 27.059 0.30 A 19 ARG N N 15 123.288 0.10 A 20 PRO HA H 1 4.343 0.02 A 20 PRO HBx H 1 0.952 0.02 A 20 PRO HBy H 1 2.405 0.02 A 20 PRO HDx H 1 3.147 0.02 A 20 PRO HDy H 1 3.147 0.02 A 20 PRO HGx H 1 1.940 0.02 A 20 PRO HGy H 1 1.940 0.02 A 20 PRO C C 13 177.496 0.30 A 20 PRO CA C 13 65.997 0.30 A 20 PRO CB C 13 31.840 0.30 A 20 PRO CD C 13 50.987 0.30 A 20 PRO CG C 13 28.339 0.30 A 21 VAL H H 1 7.352 0.02 A 21 VAL HA H 1 4.821 0.02 A 21 VAL HB H 1 2.392 0.02 A 21 VAL HGx% H 1 0.550 0.02 A 21 VAL HGy% H 1 0.675 0.02 A 21 VAL C C 13 174.911 0.30 A 21 VAL CA C 13 59.103 0.30 A 21 VAL CB C 13 30.856 0.30 A 21 VAL CGy C 13 21.154 0.30 A 21 VAL CGx C 13 20.069 0.30 A 21 VAL N N 15 105.802 0.10 A 22 LYS H H 1 7.640 0.02 A 22 LYS HA H 1 3.764 0.02 A 22 LYS HBx H 1 1.844 0.02 A 22 LYS HBy H 1 1.844 0.02 A 22 LYS HGx H 1 1.432 0.02 A 22 LYS HGy H 1 1.432 0.02 A 22 LYS C C 13 177.408 0.30 A 22 LYS CA C 13 60.332 0.30 A 22 LYS CB C 13 32.214 0.30 A 22 LYS CD C 13 29.750 0.30 A 22 LYS CG C 13 24.499 0.30 A 22 LYS N N 15 122.802 0.10 A 23 ALA H H 1 8.571 0.02 A 23 ALA HA H 1 4.075 0.02 A 23 ALA HB% H 1 1.370 0.02 A 23 ALA C C 13 179.648 0.30 A 23 ALA CA C 13 55.159 0.30 A 23 ALA CB C 13 17.914 0.30 A 23 ALA N N 15 120.067 0.10 A 24 ALA H H 1 7.320 0.02 A 24 ALA HA H 1 4.162 0.02 A 24 ALA HB% H 1 1.411 0.02 A 24 ALA C C 13 178.921 0.30 A 24 ALA CA C 13 54.756 0.30 A 24 ALA CB C 13 18.193 0.30 A 24 ALA N N 15 121.068 0.10 A 25 LEU H H 1 7.698 0.02 A 25 LEU HA H 1 3.711 0.02 A 25 LEU HBy H 1 1.532 0.02 A 25 LEU HBx H 1 0.508 0.02 A 25 LEU HDx% H 1 0.637 0.02 A 25 LEU HDy% H 1 0.636 0.02 A 25 LEU C C 13 178.174 0.30 A 25 LEU CA C 13 57.951 0.30 A 25 LEU CB C 13 40.630 0.30 A 25 LEU CDy C 13 25.647 0.30 A 25 LEU CDx C 13 25.033 0.30 A 25 LEU N N 15 117.214 0.10 A 26 LYS H H 1 7.675 0.02 A 26 LYS HA H 1 4.163 0.02 A 26 LYS HBy H 1 1.959 0.02 A 26 LYS HBx H 1 1.897 0.02 A 26 LYS HDx H 1 1.684 0.02 A 26 LYS HDy H 1 1.684 0.02 A 26 LYS HGx H 1 1.488 0.02 A 26 LYS HGy H 1 1.617 0.02 A 26 LYS C C 13 177.958 0.30 A 26 LYS CA C 13 58.414 0.30 A 26 LYS CB C 13 32.166 0.30 A 26 LYS CD C 13 29.188 0.30 A 26 LYS CG C 13 25.147 0.30 A 26 LYS N N 15 116.336 0.10 A 27 GLN H H 1 7.520 0.02 A 27 GLN HA H 1 4.275 0.02 A 27 GLN HBx H 1 2.265 0.02 A 27 GLN HBy H 1 2.265 0.02 A 27 GLN HE2y H 1 7.379 0.02 A 27 GLN HE2x H 1 6.858 0.02 A 27 GLN HGx H 1 2.488 0.02 A 27 GLN HGy H 1 2.610 0.02 A 27 GLN C C 13 177.329 0.30 A 27 GLN CA C 13 56.807 0.30 A 27 GLN CB C 13 30.020 0.30 A 27 GLN CG C 13 34.404 0.30 A 27 GLN N N 15 116.118 0.10 A 27 GLN NE2 N 15 111.555 0.10 A 28 LEU H H 1 7.506 0.02 A 28 LEU HA H 1 4.153 0.02 A 28 LEU HBx H 1 1.759 0.02 A 28 LEU HBy H 1 1.900 0.02 A 28 LEU HDx% H 1 0.892 0.02 A 28 LEU HDy% H 1 0.933 0.02 A 28 LEU HG H 1 1.790 0.02 A 28 LEU C C 13 176.818 0.30 A 28 LEU CA C 13 58.042 0.30 A 28 LEU CB C 13 41.911 0.30 A 28 LEU CDx C 13 25.306 0.30 A 28 LEU CDy C 13 25.614 0.30 A 28 LEU CG C 13 26.659 0.30 A 28 LEU N N 15 121.335 0.10 A 29 ASP H H 1 8.120 0.02 A 29 ASP HA H 1 4.914 0.02 A 29 ASP HBx H 1 2.833 0.02 A 29 ASP HBy H 1 2.879 0.02 A 29 ASP C C 13 175.422 0.30 A 29 ASP CA C 13 54.126 0.30 A 29 ASP CB C 13 42.715 0.30 A 29 ASP N N 15 117.486 0.10 A 30 ARG H H 1 7.701 0.02 A 30 ARG HA H 1 4.761 0.02 A 30 ARG HBx H 1 1.728 0.02 A 30 ARG HBy H 1 1.728 0.02 A 30 ARG C C 13 172.474 0.30 A 30 ARG CA C 13 53.231 0.30 A 30 ARG CB C 13 31.311 0.30 A 30 ARG N N 15 119.107 0.10 A 31 PRO HA H 1 4.266 0.02 A 31 PRO HBy H 1 2.137 0.02 A 31 PRO HBx H 1 1.823 0.02 A 31 PRO HDx H 1 3.596 0.02 A 31 PRO HDy H 1 3.596 0.02 A 31 PRO HGx H 1 1.985 0.02 A 31 PRO HGy H 1 1.985 0.02 A 31 PRO C C 13 176.700 0.30 A 31 PRO CA C 13 62.945 0.30 A 31 PRO CB C 13 32.014 0.30 A 31 PRO CD C 13 50.038 0.30 A 31 PRO CG C 13 27.354 0.30 A 32 GLU H H 1 8.454 0.02 A 32 GLU HA H 1 4.188 0.02 A 32 GLU HBx H 1 1.858 0.02 A 32 GLU HBy H 1 1.943 0.02 A 32 GLU HGx H 1 2.258 0.02 A 32 GLU HGy H 1 2.258 0.02 A 32 GLU C C 13 176.051 0.30 A 32 GLU CA C 13 56.389 0.30 A 32 GLU CB C 13 30.188 0.30 A 32 GLU CG C 13 35.990 0.30 A 32 GLU N N 15 122.391 0.10 A 33 LYS H H 1 8.338 0.02 A 33 LYS HA H 1 4.176 0.02 A 33 LYS HBx H 1 1.798 0.02 A 33 LYS HBy H 1 1.798 0.02 A 33 LYS HDx H 1 1.672 0.02 A 33 LYS HDy H 1 1.672 0.02 A 33 LYS HGx H 1 1.419 0.02 A 33 LYS HGy H 1 1.476 0.02 A 33 LYS C C 13 177.132 0.30 A 33 LYS CA C 13 57.127 0.30 A 33 LYS CB C 13 32.640 0.30 A 33 LYS CD C 13 28.997 0.30 A 33 LYS CG C 13 24.713 0.30 A 33 LYS N N 15 123.127 0.10 A 34 GLY H H 1 8.643 0.02 A 34 GLY HAy H 1 4.014 0.02 A 34 GLY HAx H 1 3.811 0.02 A 34 GLY C C 13 174.125 0.30 A 34 GLY CA C 13 45.318 0.30 A 34 GLY N N 15 109.507 0.10 A 35 LEU H H 1 7.480 0.02 A 35 LEU HA H 1 4.515 0.02 A 35 LEU HBx H 1 1.592 0.02 A 35 LEU HBy H 1 1.729 0.02 A 35 LEU HDx% H 1 0.749 0.02 A 35 LEU HDy% H 1 0.739 0.02 A 35 LEU HG H 1 1.609 0.02 A 35 LEU C C 13 177.447 0.30 A 35 LEU CA C 13 54.449 0.30 A 35 LEU CB C 13 43.116 0.30 A 35 LEU CDx C 13 22.461 0.30 A 35 LEU CDy C 13 25.565 0.30 A 35 LEU CG C 13 26.640 0.30 A 35 LEU N N 15 120.392 0.10 A 36 SER H H 1 8.838 0.02 A 36 SER HA H 1 4.471 0.02 A 36 SER HBx H 1 4.064 0.02 A 36 SER HBy H 1 4.315 0.02 A 36 SER C C 13 174.282 0.30 A 36 SER CA C 13 57.814 0.30 A 36 SER CB C 13 64.678 0.30 A 36 SER N N 15 118.629 0.10 A 37 GLU H H 1 9.018 0.02 A 37 GLU HA H 1 4.014 0.02 A 37 GLU HBx H 1 2.088 0.02 A 37 GLU HBy H 1 2.138 0.02 A 37 GLU HGy H 1 2.389 0.02 A 37 GLU HGx H 1 2.281 0.02 A 37 GLU C C 13 178.626 0.30 A 37 GLU CA C 13 60.578 0.30 A 37 GLU CB C 13 29.349 0.30 A 37 GLU CG C 13 36.441 0.30 A 37 GLU N N 15 122.722 0.10 A 38 ARG H H 1 8.509 0.02 A 38 ARG HA H 1 4.113 0.02 A 38 ARG HBx H 1 1.793 0.02 A 38 ARG HBy H 1 1.926 0.02 A 38 ARG HDx H 1 3.246 0.02 A 38 ARG HDy H 1 3.246 0.02 A 38 ARG HGx H 1 1.650 0.02 A 38 ARG HGy H 1 1.650 0.02 A 38 ARG C C 13 178.862 0.30 A 38 ARG CA C 13 59.448 0.30 A 38 ARG CB C 13 29.807 0.30 A 38 ARG CD C 13 43.183 0.30 A 38 ARG CG C 13 27.059 0.30 A 38 ARG N N 15 118.418 0.10 A 39 GLU H H 1 7.761 0.02 A 39 GLU HA H 1 4.090 0.02 A 39 GLU HBx H 1 2.030 0.02 A 39 GLU HBy H 1 2.030 0.02 A 39 GLU HGx H 1 2.297 0.02 A 39 GLU HGy H 1 2.297 0.02 A 39 GLU C C 13 179.179 0.30 A 39 GLU CA C 13 58.893 0.30 A 39 GLU CB C 13 30.557 0.30 A 39 GLU CG C 13 37.400 0.30 A 39 GLU N N 15 119.730 0.10 A 40 GLN H H 1 8.871 0.02 A 40 GLN HA H 1 4.044 0.02 A 40 GLN HBx H 1 2.239 0.02 A 40 GLN HBy H 1 2.239 0.02 A 40 GLN HE2x H 1 6.938 0.02 A 40 GLN HE2y H 1 7.286 0.02 A 40 GLN HGx H 1 2.375 0.02 A 40 GLN HGy H 1 2.485 0.02 A 40 GLN C C 13 178.410 0.30 A 40 GLN CA C 13 59.370 0.30 A 40 GLN CB C 13 28.488 0.30 A 40 GLN CG C 13 34.340 0.30 A 40 GLN N N 15 121.665 0.10 A 40 GLN NE2 N 15 112.221 0.10 A 41 LEU H H 1 8.140 0.02 A 41 LEU HA H 1 4.227 0.02 A 41 LEU HBx H 1 1.734 0.02 A 41 LEU HBy H 1 1.909 0.02 A 41 LEU HDx% H 1 0.961 0.02 A 41 LEU HDy% H 1 0.950 0.02 A 41 LEU HG H 1 1.759 0.02 A 41 LEU C C 13 179.491 0.30 A 41 LEU CA C 13 58.290 0.30 A 41 LEU CB C 13 41.601 0.30 A 41 LEU CDy C 13 24.764 0.30 A 41 LEU CDx C 13 24.225 0.30 A 41 LEU CG C 13 27.076 0.30 A 41 LEU N N 15 121.002 0.10 A 42 GLU H H 1 7.894 0.02 A 42 GLU HA H 1 4.234 0.02 A 42 GLU HBy H 1 2.135 0.02 A 42 GLU HBx H 1 2.012 0.02 A 42 GLU HGx H 1 2.425 0.02 A 42 GLU HGy H 1 2.425 0.02 A 42 GLU C C 13 178.253 0.30 A 42 GLU CA C 13 58.910 0.30 A 42 GLU CB C 13 28.967 0.30 A 42 GLU CG C 13 33.783 0.30 A 42 GLU N N 15 119.818 0.10 A 43 HIS H H 1 8.437 0.02 A 43 HIS HA H 1 4.421 0.02 A 43 HIS HBy H 1 3.413 0.02 A 43 HIS HBx H 1 3.288 0.02 A 43 HIS C C 13 177.790 0.30 A 43 HIS CA C 13 59.813 0.30 A 43 HIS CB C 13 29.444 0.30 A 43 HIS CD2 C 13 117.000 0.30 A 43 HIS N N 15 119.964 0.10 A 44 THR H H 1 8.589 0.02 A 44 THR HA H 1 3.884 0.02 A 44 THR HB H 1 4.372 0.02 A 44 THR HG2% H 1 1.345 0.02 A 44 THR C C 13 177.658 0.30 A 44 THR CA C 13 67.603 0.30 A 44 THR CB C 13 68.981 0.30 A 44 THR CG2 C 13 21.845 0.30 A 44 THR N N 15 117.768 0.10 A 45 ARG H H 1 8.255 0.02 A 45 ARG HA H 1 3.879 0.02 A 45 ARG HBx H 1 2.026 0.02 A 45 ARG HBy H 1 2.026 0.02 A 45 ARG HDx H 1 3.299 0.02 A 45 ARG HDy H 1 3.299 0.02 A 45 ARG HGy H 1 1.757 0.02 A 45 ARG HGx H 1 1.553 0.02 A 45 ARG C C 13 177.467 0.30 A 45 ARG CA C 13 60.859 0.30 A 45 ARG CB C 13 30.716 0.30 A 45 ARG CD C 13 43.635 0.30 A 45 ARG CG C 13 28.136 0.30 A 45 ARG N N 15 121.750 0.10 A 46 GLN H H 1 8.328 0.02 A 46 GLN HA H 1 4.024 0.02 A 46 GLN HBx H 1 2.186 0.02 A 46 GLN HBy H 1 2.256 0.02 A 46 GLN HGx H 1 2.542 0.02 A 46 GLN HGy H 1 2.642 0.02 A 46 GLN C C 13 179.668 0.30 A 46 GLN CA C 13 59.575 0.30 A 46 GLN CB C 13 27.755 0.30 A 46 GLN CG C 13 33.939 0.30 A 46 GLN N N 15 116.576 0.10 A 47 CYS H H 1 8.029 0.02 A 47 CYS HA H 1 4.083 0.02 A 47 CYS HBy H 1 3.181 0.02 A 47 CYS HBx H 1 2.700 0.02 A 47 CYS C C 13 175.894 0.30 A 47 CYS CA C 13 64.104 0.30 A 47 CYS CB C 13 27.063 0.30 A 47 CYS N N 15 118.569 0.10 A 48 LEU H H 1 8.539 0.02 A 48 LEU HA H 1 4.069 0.02 A 48 LEU HBy H 1 1.899 0.02 A 48 LEU HBx H 1 1.778 0.02 A 48 LEU HDx% H 1 1.080 0.02 A 48 LEU HDy% H 1 1.031 0.02 A 48 LEU HG H 1 1.925 0.02 A 48 LEU C C 13 178.489 0.30 A 48 LEU CA C 13 58.313 0.30 A 48 LEU CB C 13 42.225 0.30 A 48 LEU CDy C 13 25.560 0.30 A 48 LEU CDx C 13 25.090 0.30 A 48 LEU CG C 13 27.431 0.30 A 48 LEU N N 15 119.873 0.10 A 49 ILE H H 1 8.516 0.02 A 49 ILE HA H 1 3.970 0.02 A 49 ILE HB H 1 1.935 0.02 A 49 ILE HD1% H 1 0.830 0.02 A 49 ILE HG1x H 1 1.545 0.02 A 49 ILE HG1y H 1 1.545 0.02 A 49 ILE HG2% H 1 1.017 0.02 A 49 ILE C C 13 176.838 0.30 A 49 ILE CA C 13 66.211 0.30 A 49 ILE CB C 13 37.995 0.30 A 49 ILE CD1 C 13 13.704 0.30 A 49 ILE CG1 C 13 28.320 0.30 A 49 ILE CG2 C 13 17.721 0.30 A 49 ILE N N 15 119.523 0.10 A 50 LYS H H 1 7.522 0.02 A 50 LYS HA H 1 4.193 0.02 A 50 LYS HBx H 1 1.874 0.02 A 50 LYS HBy H 1 1.975 0.02 A 50 LYS HDx H 1 1.617 0.02 A 50 LYS HDy H 1 1.617 0.02 A 50 LYS HGx H 1 1.484 0.02 A 50 LYS HGy H 1 1.568 0.02 A 50 LYS C C 13 180.041 0.30 A 50 LYS CA C 13 59.547 0.30 A 50 LYS CB C 13 32.590 0.30 A 50 LYS CD C 13 29.426 0.30 A 50 LYS CG C 13 25.100 0.30 A 50 LYS N N 15 118.622 0.10 A 51 ILE H H 1 8.107 0.02 A 51 ILE HA H 1 3.449 0.02 A 51 ILE HB H 1 1.823 0.02 A 51 ILE HD1% H 1 0.732 0.02 A 51 ILE HG1x H 1 1.004 0.02 A 51 ILE HG1y H 1 1.004 0.02 A 51 ILE HG2% H 1 0.585 0.02 A 51 ILE C C 13 177.034 0.30 A 51 ILE CA C 13 65.767 0.30 A 51 ILE CB C 13 38.980 0.30 A 51 ILE CD1 C 13 15.369 0.30 A 51 ILE CG1 C 13 26.289 0.30 A 51 ILE CG2 C 13 19.065 0.30 A 51 ILE N N 15 119.288 0.10 A 52 GLY H H 1 9.224 0.02 A 52 GLY HAx H 1 2.458 0.02 A 52 GLY HAy H 1 3.208 0.02 A 52 GLY C C 13 176.818 0.30 A 52 GLY CA C 13 47.064 0.30 A 52 GLY N N 15 108.211 0.10 A 53 ASP H H 1 9.091 0.02 A 53 ASP HA H 1 4.534 0.02 A 53 ASP HBy H 1 3.055 0.02 A 53 ASP HBx H 1 2.748 0.02 A 53 ASP C C 13 178.626 0.30 A 53 ASP CA C 13 57.628 0.30 A 53 ASP CB C 13 39.282 0.30 A 53 ASP N N 15 124.013 0.10 A 54 HIS H H 1 7.664 0.02 A 54 HIS HA H 1 4.406 0.02 A 54 HIS HBy H 1 3.188 0.02 A 54 HIS HBx H 1 3.042 0.02 A 54 HIS C C 13 177.632 0.30 A 54 HIS CA C 13 60.460 0.30 A 54 HIS CB C 13 31.567 0.30 A 54 HIS N N 15 121.598 0.10 A 55 ILE H H 1 8.255 0.02 A 55 ILE HA H 1 3.184 0.02 A 55 ILE HB H 1 1.679 0.02 A 55 ILE HD1% H 1 -0.864 0.02 A 55 ILE HG1y H 1 1.498 0.02 A 55 ILE HG1x H 1 0.592 0.02 A 55 ILE HG2% H 1 0.673 0.02 A 55 ILE C C 13 176.838 0.30 A 55 ILE CA C 13 67.677 0.30 A 55 ILE CB C 13 37.244 0.30 A 55 ILE CD1 C 13 10.586 0.30 A 55 ILE CG1 C 13 30.129 0.30 A 55 ILE CG2 C 13 15.917 0.30 A 55 ILE N N 15 121.892 0.10 A 56 THR H H 1 8.047 0.02 A 56 THR HA H 1 3.759 0.02 A 56 THR HB H 1 4.534 0.02 A 56 THR HG2% H 1 1.313 0.02 A 56 THR C C 13 178.845 0.30 A 56 THR CA C 13 67.551 0.30 A 56 THR CB C 13 68.756 0.30 A 56 THR CG2 C 13 21.891 0.30 A 56 THR N N 15 115.458 0.10 A 57 GLU H H 1 7.591 0.02 A 57 GLU HA H 1 3.954 0.02 A 57 GLU HBx H 1 2.088 0.02 A 57 GLU HBy H 1 2.088 0.02 A 57 GLU HGy H 1 2.395 0.02 A 57 GLU HGx H 1 2.305 0.02 A 57 GLU C C 13 179.629 0.30 A 57 GLU CA C 13 59.379 0.30 A 57 GLU CB C 13 28.740 0.30 A 57 GLU CG C 13 35.438 0.30 A 57 GLU N N 15 121.544 0.10 A 58 CYS H H 1 8.206 0.02 A 58 CYS HA H 1 3.940 0.02 A 58 CYS HBx H 1 2.376 0.02 A 58 CYS HBy H 1 3.079 0.02 A 58 CYS C C 13 176.739 0.30 A 58 CYS CA C 13 63.222 0.30 A 58 CYS CB C 13 26.562 0.30 A 58 CYS N N 15 118.970 0.10 A 59 LEU H H 1 7.726 0.02 A 59 LEU HA H 1 4.251 0.02 A 59 LEU HBy H 1 1.968 0.02 A 59 LEU HBx H 1 1.723 0.02 A 59 LEU HDx% H 1 0.899 0.02 A 59 LEU HDy% H 1 0.929 0.02 A 59 LEU HG H 1 1.789 0.02 A 59 LEU C C 13 177.683 0.30 A 59 LEU CA C 13 56.039 0.30 A 59 LEU CB C 13 41.037 0.30 A 59 LEU CDx C 13 23.270 0.30 A 59 LEU CDy C 13 25.375 0.30 A 59 LEU CG C 13 27.191 0.30 A 59 LEU N N 15 116.873 0.10 A 60 LYS H H 1 7.298 0.02 A 60 LYS HA H 1 4.131 0.02 A 60 LYS HBy H 1 1.890 0.02 A 60 LYS HBx H 1 1.729 0.02 A 60 LYS HDx H 1 1.681 0.02 A 60 LYS HDy H 1 1.681 0.02 A 60 LYS HGx H 1 1.419 0.02 A 60 LYS HGy H 1 1.419 0.02 A 60 LYS C C 13 176.562 0.30 A 60 LYS CA C 13 58.537 0.30 A 60 LYS CB C 13 32.390 0.30 A 60 LYS CD C 13 29.650 0.30 A 60 LYS CG C 13 25.826 0.30 A 60 LYS N N 15 117.911 0.10 A 61 GLU H H 1 7.084 0.02 A 61 GLU HA H 1 3.889 0.02 A 61 GLU HBx H 1 1.366 0.02 A 61 GLU HBy H 1 1.507 0.02 A 61 GLU HGx H 1 1.692 0.02 A 61 GLU HGy H 1 1.692 0.02 A 61 GLU C C 13 175.226 0.30 A 61 GLU CA C 13 57.051 0.30 A 61 GLU CB C 13 29.734 0.30 A 61 GLU CG C 13 35.695 0.30 A 61 GLU N N 15 115.507 0.10 A 62 TYR H H 1 7.387 0.02 A 62 TYR HA H 1 4.706 0.02 A 62 TYR HBx H 1 2.871 0.02 A 62 TYR HBy H 1 3.047 0.02 A 62 TYR HDx H 1 7.005 0.02 A 62 TYR HDy H 1 7.005 0.02 A 62 TYR HEx H 1 6.275 0.02 A 62 TYR HEy H 1 6.275 0.02 A 62 TYR C C 13 174.585 0.30 A 62 TYR CA C 13 57.147 0.30 A 62 TYR CB C 13 40.385 0.30 A 62 TYR CDy C 13 132.271 0.30 A 62 TYR CEy C 13 117.607 0.30 A 62 TYR N N 15 118.581 0.10 A 63 THR H H 1 8.471 0.02 A 63 THR HA H 1 4.507 0.02 A 63 THR HB H 1 4.363 0.02 A 63 THR HG2% H 1 1.189 0.02 A 63 THR C C 13 174.538 0.30 A 63 THR CA C 13 61.684 0.30 A 63 THR CB C 13 70.092 0.30 A 63 THR CG2 C 13 21.652 0.30 A 63 THR N N 15 109.064 0.10 A 64 ASN H H 1 7.993 0.02 A 64 ASN HA H 1 5.171 0.02 A 64 ASN HBx H 1 3.011 0.02 A 64 ASN HBy H 1 3.011 0.02 A 64 ASN HD2y H 1 7.925 0.02 A 64 ASN HD2x H 1 7.321 0.02 A 64 ASN C C 13 174.145 0.30 A 64 ASN CA C 13 51.137 0.30 A 64 ASN CB C 13 39.680 0.30 A 64 ASN N N 15 123.204 0.10 A 64 ASN ND2 N 15 114.680 0.10 A 65 PRO HA H 1 4.270 0.02 A 65 PRO HBy H 1 2.472 0.02 A 65 PRO HBx H 1 2.257 0.02 A 65 PRO HDx H 1 3.956 0.02 A 65 PRO HDy H 1 4.210 0.02 A 65 PRO HGx H 1 2.104 0.02 A 65 PRO HGy H 1 2.163 0.02 A 65 PRO C C 13 178.529 0.30 A 65 PRO CA C 13 65.692 0.30 A 65 PRO CB C 13 32.399 0.30 A 65 PRO CD C 13 51.293 0.30 A 65 PRO CG C 13 27.670 0.30 A 66 GLU H H 1 8.297 0.02 A 66 GLU HA H 1 4.132 0.02 A 66 GLU HBx H 1 2.097 0.02 A 66 GLU HBy H 1 2.097 0.02 A 66 GLU HGx H 1 2.350 0.02 A 66 GLU HGy H 1 2.350 0.02 A 66 GLU C C 13 179.059 0.30 A 66 GLU CA C 13 59.374 0.30 A 66 GLU CB C 13 28.803 0.30 A 66 GLU CG C 13 36.471 0.30 A 66 GLU N N 15 118.060 0.10 A 67 GLN H H 1 7.738 0.02 A 67 GLN HA H 1 4.167 0.02 A 67 GLN HBx H 1 2.060 0.02 A 67 GLN HBy H 1 2.252 0.02 A 67 GLN HE2y H 1 7.654 0.02 A 67 GLN HE2x H 1 7.080 0.02 A 67 GLN HGx H 1 2.293 0.02 A 67 GLN HGy H 1 2.494 0.02 A 67 GLN C C 13 177.722 0.30 A 67 GLN CA C 13 58.828 0.30 A 67 GLN CB C 13 29.243 0.30 A 67 GLN CG C 13 34.766 0.30 A 67 GLN N N 15 120.531 0.10 A 67 GLN NE2 N 15 112.918 0.10 A 68 ILE H H 1 7.956 0.02 A 68 ILE HA H 1 3.548 0.02 A 68 ILE HB H 1 1.815 0.02 A 68 ILE HD1% H 1 0.981 0.02 A 68 ILE HG1x H 1 1.141 0.02 A 68 ILE HG1y H 1 1.141 0.02 A 68 ILE HG2% H 1 0.793 0.02 A 68 ILE C C 13 176.759 0.30 A 68 ILE CA C 13 66.597 0.30 A 68 ILE CB C 13 38.939 0.30 A 68 ILE CD1 C 13 13.894 0.30 A 68 ILE CG1 C 13 26.453 0.30 A 68 ILE CG2 C 13 18.129 0.30 A 68 ILE N N 15 119.632 0.10 A 69 LYS H H 1 7.665 0.02 A 69 LYS HA H 1 3.929 0.02 A 69 LYS HBx H 1 1.902 0.02 A 69 LYS HBy H 1 1.902 0.02 A 69 LYS C C 13 178.921 0.30 A 69 LYS CA C 13 59.921 0.30 A 69 LYS CB C 13 32.607 0.30 A 69 LYS N N 15 117.236 0.10 A 70 GLN H H 1 7.787 0.02 A 70 GLN HA H 1 3.855 0.02 A 70 GLN HBx H 1 1.861 0.02 A 70 GLN HBy H 1 1.884 0.02 A 70 GLN HE2y H 1 7.063 0.02 A 70 GLN HE2x H 1 6.789 0.02 A 70 GLN HGx H 1 1.861 0.02 A 70 GLN HGy H 1 1.931 0.02 A 70 GLN C C 13 177.781 0.30 A 70 GLN CA C 13 58.252 0.30 A 70 GLN CB C 13 28.677 0.30 A 70 GLN CG C 13 33.102 0.30 A 70 GLN N N 15 118.748 0.10 A 70 GLN NE2 N 15 112.600 0.10 A 71 TRP H H 1 8.374 0.02 A 71 TRP HA H 1 4.043 0.02 A 71 TRP HBx H 1 2.788 0.02 A 71 TRP HBy H 1 2.963 0.02 A 71 TRP HD1 H 1 6.622 0.02 A 71 TRP HE1 H 1 10.081 0.02 A 71 TRP HE3 H 1 7.485 0.02 A 71 TRP HH2 H 1 7.164 0.02 A 71 TRP HZ2 H 1 7.570 0.02 A 71 TRP HZ3 H 1 7.213 0.02 A 71 TRP C C 13 177.329 0.30 A 71 TRP CA C 13 61.949 0.30 A 71 TRP CB C 13 28.244 0.30 A 71 TRP CD1 C 13 127.781 0.30 A 71 TRP CE3 C 13 118.339 0.30 A 71 TRP CH2 C 13 124.177 0.30 A 71 TRP CZ2 C 13 115.568 0.30 A 71 TRP CZ3 C 13 121.373 0.30 A 71 TRP N N 15 118.896 0.10 A 71 TRP NE1 N 15 129.398 0.10 A 72 ARG H H 1 8.808 0.02 A 72 ARG HA H 1 3.819 0.02 A 72 ARG HBx H 1 2.043 0.02 A 72 ARG HBy H 1 2.043 0.02 A 72 ARG C C 13 177.211 0.30 A 72 ARG CA C 13 61.032 0.30 A 72 ARG CB C 13 30.269 0.30 A 72 ARG N N 15 122.698 0.10 A 73 LYS H H 1 7.380 0.02 A 73 LYS HA H 1 4.180 0.02 A 73 LYS HBx H 1 1.902 0.02 A 73 LYS HBy H 1 1.902 0.02 A 73 LYS HDx H 1 1.682 0.02 A 73 LYS HDy H 1 1.682 0.02 A 73 LYS HEx H 1 2.986 0.02 A 73 LYS HEy H 1 2.986 0.02 A 73 LYS HGx H 1 1.427 0.02 A 73 LYS HGy H 1 1.427 0.02 A 73 LYS C C 13 178.272 0.30 A 73 LYS CA C 13 59.535 0.30 A 73 LYS CB C 13 31.715 0.30 A 73 LYS CD C 13 29.570 0.30 A 73 LYS CE C 13 41.865 0.30 A 73 LYS CG C 13 24.910 0.30 A 73 LYS N N 15 116.946 0.10 A 74 ASN H H 1 8.309 0.02 A 74 ASN HA H 1 4.277 0.02 A 74 ASN HBx H 1 2.163 0.02 A 74 ASN HBy H 1 2.609 0.02 A 74 ASN HD2y H 1 6.364 0.02 A 74 ASN HD2x H 1 3.818 0.02 A 74 ASN C C 13 176.798 0.30 A 74 ASN CA C 13 55.863 0.30 A 74 ASN CB C 13 38.034 0.30 A 74 ASN N N 15 116.434 0.10 A 74 ASN ND2 N 15 105.800 0.10 A 75 LEU H H 1 8.635 0.02 A 75 LEU HA H 1 4.125 0.02 A 75 LEU HBy H 1 1.901 0.02 A 75 LEU HBx H 1 1.771 0.02 A 75 LEU HDx% H 1 0.961 0.02 A 75 LEU HDy% H 1 0.963 0.02 A 75 LEU HG H 1 1.790 0.02 A 75 LEU C C 13 178.901 0.30 A 75 LEU CA C 13 58.827 0.30 A 75 LEU CB C 13 40.984 0.30 A 75 LEU CDx C 13 24.534 0.30 A 75 LEU CDy C 13 24.679 0.30 A 75 LEU CG C 13 27.102 0.30 A 75 LEU N N 15 118.967 0.10 A 76 TRP H H 1 8.006 0.02 A 76 TRP HA H 1 4.579 0.02 A 76 TRP HBx H 1 3.286 0.02 A 76 TRP HBy H 1 3.400 0.02 A 76 TRP HD1 H 1 7.337 0.02 A 76 TRP HE1 H 1 10.217 0.02 A 76 TRP HE3 H 1 7.484 0.02 A 76 TRP HH2 H 1 6.605 0.02 A 76 TRP HZ2 H 1 7.001 0.02 A 76 TRP HZ3 H 1 6.738 0.02 A 76 TRP C C 13 179.550 0.30 A 76 TRP CA C 13 61.416 0.30 A 76 TRP CB C 13 29.098 0.30 A 76 TRP CH2 C 13 123.399 0.30 A 76 TRP CZ2 C 13 113.906 0.30 A 76 TRP N N 15 118.544 0.10 A 76 TRP NE1 N 15 128.067 0.10 A 77 ILE H H 1 8.893 0.02 A 77 ILE HA H 1 3.831 0.02 A 77 ILE HB H 1 2.173 0.02 A 77 ILE HD1% H 1 0.856 0.02 A 77 ILE HG1x H 1 0.990 0.02 A 77 ILE HG1y H 1 0.990 0.02 A 77 ILE HG2% H 1 0.919 0.02 A 77 ILE C C 13 181.254 0.30 A 77 ILE CA C 13 66.041 0.30 A 77 ILE CB C 13 37.350 0.30 A 77 ILE CD1 C 13 14.333 0.30 A 77 ILE CG1 C 13 29.977 0.30 A 77 ILE CG2 C 13 18.054 0.30 A 77 ILE N N 15 121.982 0.10 A 78 PHE H H 1 8.753 0.02 A 78 PHE HA H 1 4.044 0.02 A 78 PHE HBy H 1 3.661 0.02 A 78 PHE HBx H 1 3.132 0.02 A 78 PHE HDx H 1 6.821 0.02 A 78 PHE HDy H 1 6.821 0.02 A 78 PHE HEx H 1 6.698 0.02 A 78 PHE HEy H 1 6.698 0.02 A 78 PHE HZ H 1 7.136 0.02 A 78 PHE C C 13 176.268 0.30 A 78 PHE CA C 13 63.080 0.30 A 78 PHE CB C 13 38.710 0.30 A 78 PHE CDx C 13 131.740 0.30 A 78 PHE CEx C 13 131.702 0.30 A 78 PHE CZ C 13 129.302 0.30 A 78 PHE N N 15 123.458 0.10 A 79 VAL H H 1 8.232 0.02 A 79 VAL HA H 1 3.479 0.02 A 79 VAL HB H 1 2.508 0.02 A 79 VAL HGx% H 1 1.000 0.02 A 79 VAL HGy% H 1 1.032 0.02 A 79 VAL C C 13 179.904 0.30 A 79 VAL CA C 13 66.813 0.30 A 79 VAL CB C 13 31.572 0.30 A 79 VAL CGy C 13 24.273 0.30 A 79 VAL CGx C 13 22.240 0.30 A 79 VAL N N 15 117.726 0.10 A 80 SER H H 1 8.353 0.02 A 80 SER HA H 1 4.339 0.02 A 80 SER HBx H 1 4.043 0.02 A 80 SER HBy H 1 4.043 0.02 A 80 SER C C 13 174.911 0.30 A 80 SER CA C 13 61.337 0.30 A 80 SER CB C 13 62.712 0.30 A 80 SER N N 15 114.568 0.10 A 81 LYS H H 1 7.481 0.02 A 81 LYS HA H 1 4.198 0.02 A 81 LYS HBx H 1 1.703 0.02 A 81 LYS HBy H 1 1.727 0.02 A 81 LYS HDx H 1 1.547 0.02 A 81 LYS HDy H 1 1.547 0.02 A 81 LYS HGy H 1 1.482 0.02 A 81 LYS HGx H 1 1.418 0.02 A 81 LYS C C 13 176.955 0.30 A 81 LYS CA C 13 57.104 0.30 A 81 LYS CB C 13 30.659 0.30 A 81 LYS CD C 13 28.008 0.30 A 81 LYS CG C 13 24.104 0.30 A 81 LYS N N 15 121.180 0.10 A 82 PHE H H 1 8.256 0.02 A 82 PHE HA H 1 4.397 0.02 A 82 PHE HBy H 1 3.492 0.02 A 82 PHE HBx H 1 2.963 0.02 A 82 PHE HDx H 1 7.319 0.02 A 82 PHE HDy H 1 7.319 0.02 A 82 PHE HEx H 1 6.737 0.02 A 82 PHE HEy H 1 6.737 0.02 A 82 PHE C C 13 173.437 0.30 A 82 PHE CA C 13 58.398 0.30 A 82 PHE CB C 13 38.937 0.30 A 82 PHE CDx C 13 132.649 0.30 A 82 PHE CEx C 13 131.446 0.30 A 82 PHE N N 15 117.950 0.10 A 83 THR H H 1 7.665 0.02 A 83 THR HA H 1 4.988 0.02 A 83 THR HB H 1 4.356 0.02 A 83 THR HG2% H 1 1.354 0.02 A 83 THR C C 13 172.788 0.30 A 83 THR CA C 13 59.609 0.30 A 83 THR CB C 13 71.080 0.30 A 83 THR CG2 C 13 21.809 0.30 A 83 THR N N 15 109.995 0.10 A 84 GLU H H 1 8.409 0.02 A 84 GLU HA H 1 4.395 0.02 A 84 GLU HBx H 1 1.686 0.02 A 84 GLU HBy H 1 1.686 0.02 A 84 GLU HGx H 1 1.922 0.02 A 84 GLU HGy H 1 1.922 0.02 A 84 GLU C C 13 176.562 0.30 A 84 GLU CA C 13 56.496 0.30 A 84 GLU CB C 13 29.522 0.30 A 84 GLU CG C 13 35.893 0.30 A 84 GLU N N 15 119.416 0.10 A 85 PHE H H 1 8.210 0.02 A 85 PHE HA H 1 4.891 0.02 A 85 PHE HBy H 1 3.147 0.02 A 85 PHE HBx H 1 2.848 0.02 A 85 PHE HDx H 1 7.213 0.02 A 85 PHE HDy H 1 7.213 0.02 A 85 PHE HEx H 1 7.380 0.02 A 85 PHE HEy H 1 7.380 0.02 A 85 PHE C C 13 174.459 0.30 A 85 PHE CA C 13 56.109 0.30 A 85 PHE CB C 13 41.188 0.30 A 85 PHE CDx C 13 131.104 0.30 A 85 PHE CEx C 13 131.054 0.30 A 85 PHE N N 15 120.265 0.10 A 86 ASP H H 1 8.119 0.02 A 86 ASP HA H 1 4.736 0.02 A 86 ASP HBx H 1 2.741 0.02 A 86 ASP HBy H 1 3.058 0.02 A 86 ASP C C 13 175.636 0.30 A 86 ASP CA C 13 53.183 0.30 A 86 ASP CB C 13 42.533 0.30 A 86 ASP N N 15 118.128 0.10 A 87 ALA H H 1 8.757 0.02 A 87 ALA HA H 1 3.989 0.02 A 87 ALA HB% H 1 1.524 0.02 A 87 ALA C C 13 179.028 0.30 A 87 ALA CA C 13 56.075 0.30 A 87 ALA CB C 13 20.207 0.30 A 87 ALA N N 15 121.912 0.10 A 88 ARG H H 1 8.147 0.02 A 88 ARG HA H 1 3.956 0.02 A 88 ARG HBx H 1 1.699 0.02 A 88 ARG HBy H 1 1.699 0.02 A 88 ARG C C 13 178.625 0.30 A 88 ARG CA C 13 59.252 0.30 A 88 ARG CB C 13 29.613 0.30 A 88 ARG CG C 13 27.541 0.30 A 88 ARG N N 15 117.072 0.10 A 89 LYS H H 1 8.022 0.02 A 89 LYS HA H 1 3.909 0.02 A 89 LYS HBx H 1 1.930 0.02 A 89 LYS HBy H 1 1.930 0.02 A 89 LYS HDy H 1 1.611 0.02 A 89 LYS HDx H 1 1.499 0.02 A 89 LYS HGx H 1 1.160 0.02 A 89 LYS HGy H 1 1.260 0.02 A 89 LYS C C 13 178.155 0.30 A 89 LYS CA C 13 58.986 0.30 A 89 LYS CB C 13 32.334 0.30 A 89 LYS CD C 13 29.233 0.30 A 89 LYS CG C 13 25.171 0.30 A 89 LYS N N 15 121.809 0.10 A 90 LEU H H 1 8.139 0.02 A 90 LEU HA H 1 3.744 0.02 A 90 LEU HBx H 1 1.768 0.02 A 90 LEU HBy H 1 1.899 0.02 A 90 LEU HDx% H 1 0.934 0.02 A 90 LEU HDy% H 1 0.989 0.02 A 90 LEU HG H 1 1.790 0.02 A 90 LEU C C 13 176.719 0.30 A 90 LEU CA C 13 58.043 0.30 A 90 LEU CB C 13 42.462 0.30 A 90 LEU CDy C 13 25.525 0.30 A 90 LEU CDx C 13 24.511 0.30 A 90 LEU CG C 13 27.120 0.30 A 90 LEU N N 15 118.429 0.10 A 91 HIS H H 1 7.379 0.02 A 91 HIS HA H 1 3.979 0.02 A 91 HIS HBx H 1 3.108 0.02 A 91 HIS HBy H 1 3.108 0.02 A 91 HIS C C 13 178.069 0.30 A 91 HIS CA C 13 58.178 0.30 A 91 HIS CB C 13 29.428 0.30 A 91 HIS N N 15 117.214 0.10 A 92 LYS H H 1 7.599 0.02 A 92 LYS HA H 1 3.635 0.02 A 92 LYS HBx H 1 1.818 0.02 A 92 LYS HBy H 1 1.818 0.02 A 92 LYS C C 13 178.960 0.30 A 92 LYS CA C 13 59.924 0.30 A 92 LYS CB C 13 32.365 0.30 A 92 LYS N N 15 118.466 0.10 A 93 LEU H H 1 8.351 0.02 A 93 LEU HA H 1 3.983 0.02 A 93 LEU HBy H 1 1.912 0.02 A 93 LEU HBx H 1 1.280 0.02 A 93 LEU HDx% H 1 0.539 0.02 A 93 LEU HDy% H 1 0.723 0.02 A 93 LEU HG H 1 1.644 0.02 A 93 LEU C C 13 179.919 0.30 A 93 LEU CA C 13 58.000 0.30 A 93 LEU CB C 13 42.339 0.30 A 93 LEU CDy C 13 25.496 0.30 A 93 LEU CDx C 13 22.800 0.30 A 93 LEU CG C 13 26.796 0.30 A 93 LEU N N 15 120.752 0.10 A 94 TYR H H 1 8.290 0.02 A 94 TYR HA H 1 4.136 0.02 A 94 TYR HBx H 1 3.161 0.02 A 94 TYR HBy H 1 3.202 0.02 A 94 TYR HDx H 1 7.133 0.02 A 94 TYR HDy H 1 7.133 0.02 A 94 TYR HEx H 1 7.055 0.02 A 94 TYR HEy H 1 7.055 0.02 A 94 TYR C C 13 175.439 0.30 A 94 TYR CA C 13 61.300 0.30 A 94 TYR CB C 13 38.578 0.30 A 94 TYR CDx C 13 133.511 0.30 A 94 TYR CEx C 13 119.117 0.30 A 94 TYR N N 15 122.311 0.10 A 95 LYS H H 1 8.180 0.02 A 95 LYS HA H 1 3.426 0.02 A 95 LYS HBx H 1 1.560 0.02 A 95 LYS HBy H 1 1.560 0.02 A 95 LYS HGx H 1 1.211 0.02 A 95 LYS HGy H 1 1.211 0.02 A 95 LYS C C 13 179.334 0.30 A 95 LYS CA C 13 59.379 0.30 A 95 LYS CB C 13 31.248 0.30 A 95 LYS CG C 13 25.066 0.30 A 95 LYS N N 15 117.851 0.10 A 96 HIS H H 1 8.049 0.02 A 96 HIS HA H 1 4.213 0.02 A 96 HIS HBx H 1 3.136 0.02 A 96 HIS HBy H 1 3.136 0.02 A 96 HIS C C 13 176.916 0.30 A 96 HIS CA C 13 59.274 0.30 A 96 HIS CB C 13 30.203 0.30 A 96 HIS N N 15 117.611 0.10 A 97 ALA H H 1 8.104 0.02 A 97 ALA HA H 1 4.091 0.02 A 97 ALA HB% H 1 1.543 0.02 A 97 ALA C C 13 180.002 0.30 A 97 ALA CA C 13 54.645 0.30 A 97 ALA CB C 13 17.769 0.30 A 97 ALA N N 15 122.617 0.10 A 98 ILE H H 1 7.636 0.02 A 98 ILE HA H 1 4.109 0.02 A 98 ILE HB H 1 1.952 0.02 A 98 ILE HD1% H 1 0.644 0.02 A 98 ILE HG1x H 1 1.030 0.02 A 98 ILE HG1y H 1 1.080 0.02 A 98 ILE HG2% H 1 0.720 0.02 A 98 ILE C C 13 177.211 0.30 A 98 ILE CA C 13 62.730 0.30 A 98 ILE CB C 13 37.646 0.30 A 98 ILE CD1 C 13 13.505 0.30 A 98 ILE CG1 C 13 25.245 0.30 A 98 ILE CG2 C 13 18.699 0.30 A 98 ILE N N 15 111.626 0.10 A 99 LYS H H 1 7.359 0.02 A 99 LYS HA H 1 4.045 0.02 A 99 LYS HBx H 1 1.828 0.02 A 99 LYS HBy H 1 1.828 0.02 A 99 LYS HDx H 1 1.618 0.02 A 99 LYS HDy H 1 1.618 0.02 A 99 LYS HEx H 1 2.915 0.02 A 99 LYS HEy H 1 2.915 0.02 A 99 LYS HGx H 1 1.365 0.02 A 99 LYS HGy H 1 1.475 0.02 A 99 LYS C C 13 177.761 0.30 A 99 LYS CA C 13 59.070 0.30 A 99 LYS CB C 13 32.172 0.30 A 99 LYS CD C 13 29.266 0.30 A 99 LYS CE C 13 42.036 0.30 A 99 LYS CG C 13 24.593 0.30 A 99 LYS N N 15 124.158 0.10 A 100 LYS H H 1 7.937 0.02 A 100 LYS HA H 1 4.143 0.02 A 100 LYS HBy H 1 1.828 0.02 A 100 LYS HBx H 1 1.724 0.02 A 100 LYS HDx H 1 1.614 0.02 A 100 LYS HDy H 1 1.614 0.02 A 100 LYS HEx H 1 2.912 0.02 A 100 LYS HEy H 1 2.912 0.02 A 100 LYS HGy H 1 1.368 0.02 A 100 LYS HGx H 1 1.336 0.02 A 100 LYS C C 13 177.761 0.30 A 100 LYS CA C 13 57.212 0.30 A 100 LYS CB C 13 31.742 0.30 A 100 LYS CD C 13 28.500 0.30 A 100 LYS CE C 13 41.798 0.30 A 100 LYS CG C 13 24.834 0.30 A 100 LYS N N 15 118.333 0.10 A 101 ARG H H 1 7.895 0.02 A 101 ARG HA H 1 4.129 0.02 A 101 ARG HBx H 1 1.866 0.02 A 101 ARG HBy H 1 2.016 0.02 A 101 ARG HDx H 1 3.128 0.02 A 101 ARG HDy H 1 3.214 0.02 A 101 ARG HGx H 1 1.653 0.02 A 101 ARG HGy H 1 1.735 0.02 A 101 ARG C C 13 177.191 0.30 A 101 ARG CA C 13 58.166 0.30 A 101 ARG CB C 13 30.591 0.30 A 101 ARG CD C 13 44.140 0.30 A 101 ARG CG C 13 26.937 0.30 A 101 ARG N N 15 121.125 0.10 A 102 GLN H H 1 8.167 0.02 A 102 GLN HA H 1 4.207 0.02 A 102 GLN HBy H 1 2.153 0.02 A 102 GLN HBx H 1 2.135 0.02 A 102 GLN HGx H 1 2.420 0.02 A 102 GLN HGy H 1 2.420 0.02 A 102 GLN C C 13 176.779 0.30 A 102 GLN CA C 13 56.912 0.30 A 102 GLN CB C 13 28.921 0.30 A 102 GLN CG C 13 35.639 0.30 A 102 GLN N N 15 119.756 0.10 A 103 GLU H H 1 8.189 0.02 A 103 GLU HA H 1 4.200 0.02 A 103 GLU HBx H 1 2.051 0.02 A 103 GLU HBy H 1 2.051 0.02 A 103 GLU HGx H 1 2.265 0.02 A 103 GLU HGy H 1 2.378 0.02 A 103 GLU C C 13 176.936 0.30 A 103 GLU CA C 13 57.505 0.30 A 103 GLU CB C 13 29.924 0.30 A 103 GLU CG C 13 36.422 0.30 A 103 GLU N N 15 120.553 0.10 A 104 SER H H 1 8.099 0.02 A 104 SER HA H 1 4.431 0.02 A 104 SER HBx H 1 3.926 0.02 A 104 SER HBy H 1 3.926 0.02 A 104 SER C C 13 174.400 0.30 A 104 SER CA C 13 59.154 0.30 A 104 SER CB C 13 63.456 0.30 A 104 SER N N 15 115.381 0.10 A 105 GLN H H 1 8.170 0.02 A 105 GLN HA H 1 4.335 0.02 A 105 GLN HBy H 1 2.137 0.02 A 105 GLN HBx H 1 2.030 0.02 A 105 GLN HGx H 1 2.381 0.02 A 105 GLN HGy H 1 2.409 0.02 A 105 GLN C C 13 177.008 0.30 A 105 GLN CA C 13 56.053 0.30 A 105 GLN CB C 13 29.128 0.30 A 105 GLN CG C 13 33.824 0.30 A 105 GLN N N 15 121.635 0.10 A 106 GLN H H 1 8.281 0.02 A 106 GLN HA H 1 4.331 0.02 A 106 GLN HBy H 1 2.131 0.02 A 106 GLN HBx H 1 2.008 0.02 A 106 GLN HGx H 1 2.385 0.02 A 106 GLN HGy H 1 2.385 0.02 A 106 GLN C C 13 175.363 0.30 A 106 GLN CA C 13 55.951 0.30 A 106 GLN CB C 13 29.254 0.30 A 106 GLN CG C 13 33.971 0.30 A 106 GLN N N 15 120.850 0.10 A 107 ASN H H 1 8.434 0.02 A 107 ASN HA H 1 4.790 0.02 A 107 ASN HBx H 1 2.748 0.02 A 107 ASN HBy H 1 2.857 0.02 A 107 ASN C C 13 173.987 0.30 A 107 ASN CA C 13 53.353 0.30 A 107 ASN CB C 13 39.094 0.30 A 107 ASN N N 15 120.271 0.10 A 108 SER H H 1 7.920 0.02 A 108 SER HA H 1 4.252 0.02 A 108 SER C C 13 178.253 0.30 A 108 SER CA C 13 60.136 0.30 A 108 SER CB C 13 64.866 0.30 A 108 SER N N 15 121.651 0.10 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 71 TRP H A 71 TRP HE1 1.0 . 5.25 2 2 A 71 TRP HE1 A 67 GLN HE2y 1.0 . 5.48 3 3 A 71 TRP HE1 A 67 GLN HE2x 1.0 . 5.36 4 4 A 71 TRP HE1 A 71 TRP HBx 1.0 . 5.07 5 5 A 71 TRP HE1 A 67 GLN HGy 1.0 . 5.20 6 6 A 71 TRP HE1 A 67 GLN HGx 1.0 . 5.09 7 7 A 71 TRP HE1 A 67 GLN HBx 1.0 . 4.62 8 8 A 10 THR H A 11 PHE H 1.0 . 3.55 9 9 A 11 PHE H A 12 SER H 1.0 . 3.46 10 10 A 11 PHE H A 13 ILE H 1.0 . 4.99 11 11 A 11 PHE H A 10 THR HB 1.0 . 3.30 12 12 A 11 PHE H A 11 PHE HBy 1.0 . 3.22 13 13 A 11 PHE H A 11 PHE HBx 1.0 . 3.18 14 14 A 11 PHE H A 6 LEU HBx 1.0 . 4.19 15 15 A 11 PHE H A 6 LEU HDy% 1.0 . 4.54 16 16 A 11 PHE H A 10 THR HG2% 1.0 . 4.27 17 17 A 11 PHE H A 7 ASP HBx 1.0 . 5.32 18 18 A 49 ILE H A 52 GLY H 1.0 . 5.10 19 19 A 52 GLY H A 50 LYS H 1.0 . 4.88 20 20 A 52 GLY H A 76 TRP HH2 1.0 . 4.24 21 21 A 52 GLY H A 48 LEU HA 1.0 . 4.23 22 22 A 52 GLY H A 53 ASP HBy 1.0 . 5.06 23 23 A 52 GLY H A 51 ILE HB 1.0 . 3.41 24 24 A 52 GLY H A 48 LEU HDx% 1.0 . 5.18 25 25 A 52 GLY H A 51 ILE HG1x 1.0 . 4.60 26 25 A 52 GLY H A 51 ILE HG1y 1.0 . 4.60 27 26 A 52 GLY H A 51 ILE HD1% 1.0 . 4.53 28 27 A 52 GLY H A 55 ILE HD1% 1.0 . 5.05 29 28 A 52 GLY H A 53 ASP H 1.0 . 3.67 30 29 A 53 ASP H A 51 ILE H 1.0 . 4.98 31 30 A 53 ASP H A 94 TYR HE% 1.0 . 3.70 32 31 A 53 ASP H A 54 HIS HA 1.0 . 5.47 33 32 A 53 ASP H A 50 LYS HA 1.0 . 4.16 34 33 A 53 ASP H A 49 ILE HA 1.0 . 4.56 35 34 A 53 ASP H A 51 ILE HA 1.0 . 5.16 36 35 A 53 ASP HBy A 53 ASP H 1.0 . 3.31 37 36 A 53 ASP H A 53 ASP HBx 1.0 . 3.46 38 37 A 53 ASP H A 21 VAL HGy% 1.0 . 5.46 39 38 A 53 ASP H A 51 ILE HG2% 1.0 . 5.42 40 39 A 53 ASP H A 55 ILE H 1.0 . 5.07 41 40 A 36 SER H A 37 GLU H 1.0 . 5.04 42 41 A 37 GLU H A 38 ARG H 1.0 . 4.04 43 42 A 37 GLU H A 36 SER HA 1.0 . 3.18 44 43 A 37 GLU H A 36 SER HBy 1.0 . 3.65 45 44 A 37 GLU H A 36 SER HBx 1.0 . 3.84 46 45 A 37 GLU H A 37 GLU HGy 1.0 . 4.27 47 46 A 37 GLU H A 37 GLU HBy 1.0 . 3.39 48 47 A 74 ASN HA A 77 ILE H 1.0 . 4.06 49 48 A 77 ILE H A 78 PHE HBy 1.0 . 5.31 50 49 A 77 ILE H A 76 TRP HBy 1.0 . 4.27 51 50 A 77 ILE H A 76 TRP HBx 1.0 . 4.24 52 51 A 77 ILE H A 77 ILE HB 1.0 . 3.21 53 52 A 77 ILE H A 87 ALA HB% 1.0 . 4.26 54 53 A 77 ILE H A 77 ILE HG1x 1.0 . 3.73 55 53 A 77 ILE H A 77 ILE HG1y 1.0 . 3.73 56 54 A 77 ILE H A 77 ILE HG2% 1.0 . 3.86 57 55 A 40 GLN H A 40 GLN HGy 1.0 . 3.54 58 56 A 40 GLN H A 40 GLN HGx 1.0 . 3.75 59 57 A 40 GLN H A 40 GLN HBx 1.0 . 2.92 60 57 A 40 GLN H A 40 GLN HBy 1.0 . 2.92 61 58 A 40 GLN H A 41 LEU HBy 1.0 . 4.61 62 59 A 40 GLN H A 38 ARG HBx 1.0 . 5.16 63 60 A 40 GLN H A 40 GLN HE2x 1.0 . 5.50 64 61 A 40 GLN H A 39 GLU HBx 1.0 . 3.74 65 61 A 40 GLN H A 39 GLU HBy 1.0 . 3.74 66 62 A 36 SER H A 36 SER HBx 1.0 . 3.31 67 63 A 36 SER H A 36 SER HA 1.0 . 2.76 68 64 A 36 SER H A 36 SER HBy 1.0 . 3.74 69 65 A 36 SER H A 35 LEU HBy 1.0 . 3.66 70 66 A 36 SER H A 35 LEU HBx 1.0 . 3.39 71 67 A 36 SER H A 35 LEU HDy% 1.0 . 3.77 72 67 A 36 SER H A 35 LEU HDx% 1.0 . 3.77 73 68 A 72 ARG H A 73 LYS H 1.0 . 3.60 74 69 A 72 ARG H A 69 LYS HA 1.0 . 4.34 75 70 A 72 ARG H A 68 ILE HA 1.0 . 4.89 76 71 A 72 ARG H A 71 TRP HBy 1.0 . 4.37 77 72 A 71 TRP HBx A 72 ARG H 1.0 . 4.11 78 73 A 72 ARG H A 72 ARG HBx 1.0 . 3.36 79 73 A 72 ARG H A 72 ARG HBy 1.0 . 3.36 80 74 A 72 ARG H A 59 LEU HDy% 1.0 . 3.68 81 75 A 87 ALA H A 88 ARG H 1.0 . 3.58 82 76 A 87 ALA HB% A 87 ALA H 1.0 . 3.26 83 77 A 77 ILE H A 78 PHE H 1.0 . 3.55 84 78 A 78 PHE H A 79 VAL H 1.0 . 3.64 85 79 A 78 PHE H A 75 LEU HA 1.0 . 4.09 86 80 A 78 PHE HBy A 78 PHE H 1.0 . 3.40 87 81 A 78 PHE H A 78 PHE HBx 1.0 . 3.31 88 82 A 87 ALA H A 86 ASP HBy 1.0 . 3.23 89 83 A 6 LEU HDy% A 78 PHE H 1.0 . 3.93 90 84 A 77 ILE HG2% A 78 PHE H 1.0 . 3.73 91 85 A 74 ASN HA A 78 PHE H 1.0 . 4.95 92 86 A 8 GLN H A 8 GLN HBx 1.0 . 3.14 93 86 A 8 GLN H A 8 GLN HBy 1.0 . 3.14 94 87 A 8 GLN H A 9 LYS H 1.0 . 4.99 95 88 A 8 GLN H A 7 ASP HA 1.0 . 3.33 96 89 A 8 GLN H A 8 GLN HGx 1.0 . 4.21 97 89 A 8 GLN H A 8 GLN HGy 1.0 . 4.21 98 90 A 77 ILE H A 75 LEU H 1.0 . 5.29 99 91 A 75 LEU H A 74 ASN H 1.0 . 3.72 100 92 A 75 LEU H A 76 TRP H 1.0 . 3.68 101 93 A 71 TRP HBy A 75 LEU H 1.0 . 5.20 102 94 A 75 LEU H A 74 ASN HBy 1.0 . 3.82 103 95 A 34 GLY H A 32 GLU HGx 1.0 . 3.42 104 95 A 32 GLU HGy A 34 GLY H 1.0 . 3.42 105 96 A 75 LEU H A 74 ASN HBx 1.0 . 4.00 106 97 A 75 LEU H A 75 LEU HBy 1.0 . 3.59 107 98 A 75 LEU H A 55 ILE HG2% 1.0 . 5.18 108 99 A 55 ILE HD1% A 75 LEU H 1.0 . 5.40 109 100 A 34 GLY H A 35 LEU H 1.0 . 3.59 110 101 A 34 GLY H A 33 LYS HA 1.0 . 3.13 111 102 A 75 LEU H A 75 LEU HBx 1.0 . 3.96 112 103 A 41 LEU HA A 44 THR H 1.0 . 3.94 113 104 A 44 THR H A 43 HIS HBy 1.0 . 3.60 114 105 A 44 THR H A 43 HIS HBx 1.0 . 3.71 115 106 A 22 LYS H A 23 ALA H 1.0 . 4.32 116 107 A 23 ALA H A 24 ALA H 1.0 . 3.75 117 108 A 23 ALA H A 21 VAL HA 1.0 . 4.33 118 109 A 44 THR H A 44 THR HB 1.0 . 3.12 119 110 A 23 ALA H A 23 ALA HB% 1.0 . 3.33 120 111 A 47 CYS H A 48 LEU H 1.0 . 3.37 121 112 A 48 LEU H A 45 ARG HA 1.0 . 3.52 122 113 A 10 THR H A 11 PHE HBy 1.0 . 5.39 123 114 A 48 LEU H A 47 CYS HBy 1.0 . 3.43 124 115 A 48 LEU H A 47 CYS HBx 1.0 . 3.68 125 116 A 10 THR H A 10 THR HB 1.0 . 2.93 126 117 A 10 THR H A 9 LYS HGx 1.0 . 4.55 127 118 A 49 ILE H A 49 ILE HG1x 1.0 . 4.45 128 118 A 49 ILE H A 49 ILE HG1y 1.0 . 4.45 129 119 A 3 LEU H A 3 LEU HDx% 1.0 . 3.94 130 120 A 49 ILE H A 50 LYS H 1.0 . 3.51 131 121 A 49 ILE H A 94 TYR HD% 1.0 . 4.42 132 122 A 49 ILE H A 94 TYR HE% 1.0 . 4.68 133 123 A 38 ARG H A 38 ARG HBy 1.0 . 2.69 134 124 A 38 ARG H A 40 GLN H 1.0 . 4.54 135 125 A 38 ARG H A 36 SER HBy 1.0 . 3.91 136 126 A 38 ARG H A 37 GLU HGy 1.0 . 4.99 137 127 A 38 ARG H A 39 GLU HGx 1.0 . 4.04 138 127 A 38 ARG H A 39 GLU HGy 1.0 . 4.04 139 128 A 38 ARG H A 37 GLU HBx 1.0 . 3.54 140 129 A 38 ARG H A 38 ARG HBx 1.0 . 3.29 141 130 A 62 TYR HA A 63 THR H 1.0 . 3.41 142 131 A 63 THR H A 62 TYR HBy 1.0 . 3.97 143 132 A 63 THR H A 62 TYR HBx 1.0 . 4.66 144 133 A 63 THR H A 63 THR HG2% 1.0 . 4.12 145 134 A 11 PHE H A 9 LYS H 1.0 . 4.73 146 135 A 10 THR H A 9 LYS H 1.0 . 3.38 147 136 A 9 LYS H A 7 ASP HA 1.0 . 4.96 148 137 A 7 ASP HBx A 9 LYS H 1.0 . 4.74 149 138 A 9 LYS H A 8 GLN HGx 1.0 . 4.61 150 138 A 9 LYS H A 8 GLN HGy 1.0 . 4.61 151 139 A 31 PRO HBy A 32 GLU H 1.0 . 3.17 152 140 A 9 LYS H A 9 LYS HBx 1.0 . 2.67 153 140 A 9 LYS H A 9 LYS HBy 1.0 . 2.67 154 141 A 32 GLU H A 32 GLU HBx 1.0 . 2.98 155 142 A 9 LYS H A 9 LYS HGy 1.0 . 4.19 156 143 A 9 LYS H A 9 LYS HGx 1.0 . 4.65 157 144 A 32 GLU H A 31 PRO HA 1.0 . 2.65 158 145 A 44 THR H A 43 HIS H 1.0 . 3.67 159 146 A 43 HIS H A 42 GLU H 1.0 . 3.46 160 147 A 43 HIS HBy A 43 HIS H 1.0 . 3.23 161 148 A 43 HIS HBx A 43 HIS H 1.0 . 3.13 162 149 A 43 HIS H A 42 GLU HGx 1.0 . 4.55 163 149 A 43 HIS H A 42 GLU HGy 1.0 . 4.55 164 150 A 40 GLN H A 43 HIS H 1.0 . 5.50 165 151 A 84 GLU H A 84 GLU HA 1.0 . 2.94 166 152 A 84 GLU H A 85 PHE H 1.0 . 3.71 167 153 A 84 GLU H A 83 THR HA 1.0 . 3.11 168 154 A 84 GLU H A 85 PHE HBx 1.0 . 5.14 169 155 A 71 TRP H A 72 ARG H 1.0 . 3.44 170 156 A 71 TRP H A 70 GLN H 1.0 . 3.50 171 157 A 71 TRP H A 71 TRP HBy 1.0 . 3.48 172 158 A 71 TRP H A 71 TRP HBx 1.0 . 3.29 173 159 A 71 TRP H A 70 GLN HBy 1.0 . 3.26 174 160 A 93 LEU H A 93 LEU HBx 1.0 . 3.81 175 161 A 47 CYS H A 46 GLN H 1.0 . 3.09 176 162 A 13 ILE H A 14 CYS H 1.0 . 3.34 177 163 A 46 GLN H A 46 GLN HGy 1.0 . 3.55 178 164 A 46 GLN H A 46 GLN HGx 1.0 . 3.57 179 165 A 46 GLN H A 46 GLN HBy 1.0 . 3.02 180 166 A 46 GLN H A 46 GLN HBx 1.0 . 3.58 181 167 A 46 GLN H A 45 ARG HBx 1.0 . 3.26 182 167 A 46 GLN H A 45 ARG HBy 1.0 . 3.26 183 168 A 33 LYS HA A 33 LYS H 1.0 . 2.83 184 169 A 7 ASP HBx A 7 ASP H 1.0 . 3.37 185 170 A 7 ASP H A 6 LEU HA 1.0 . 2.82 186 171 A 14 CYS H A 14 CYS HBx 1.0 . 3.16 187 172 A 74 ASN H A 74 ASN HD2y 1.0 . 4.83 188 173 A 64 ASN HA A 66 GLU H 1.0 . 4.40 189 174 A 66 GLU H A 65 PRO HGx 1.0 . 3.00 190 175 A 94 TYR HD% A 94 TYR H 1.0 . 4.13 191 176 A 105 GLN HA A 106 GLN H 1.0 . 3.49 192 177 A 55 ILE H A 54 HIS HBx 1.0 . 3.92 193 178 A 55 ILE H A 55 ILE HB 1.0 . 3.37 194 179 A 55 ILE H A 55 ILE HG1x 1.0 . 3.65 195 180 A 55 ILE HD1% A 55 ILE H 1.0 . 3.97 196 181 A 44 THR H A 45 ARG H 1.0 . 3.54 197 182 A 44 THR HB A 45 ARG H 1.0 . 3.00 198 183 A 45 ARG H A 42 GLU HA 1.0 . 3.54 199 184 A 45 ARG H A 45 ARG HBx 1.0 . 2.91 200 184 A 45 ARG HBy A 45 ARG H 1.0 . 2.91 201 185 A 45 ARG H A 45 ARG HGx 1.0 . 3.84 202 186 A 55 ILE H A 55 ILE HG1y 1.0 . 3.63 203 187 A 45 ARG H A 44 THR HG2% 1.0 . 3.68 204 188 A 55 ILE H A 55 ILE HG2% 1.0 . 3.88 205 189 A 82 PHE H A 82 PHE HBy 1.0 . 3.67 206 190 A 82 PHE H A 82 PHE HBx 1.0 . 3.49 207 191 A 77 ILE H A 79 VAL H 1.0 . 5.17 208 192 A 79 VAL H A 76 TRP HA 1.0 . 3.92 209 193 A 78 PHE HBy A 79 VAL H 1.0 . 3.76 210 194 A 79 VAL H A 79 VAL HB 1.0 . 3.32 211 195 A 79 VAL H A 79 VAL HGx% 1.0 . 3.17 212 196 A 57 GLU H A 58 CYS H 1.0 . 3.31 213 197 A 58 CYS H A 56 THR HA 1.0 . 4.70 214 198 A 58 CYS H A 58 CYS HBy 1.0 . 3.26 215 199 A 85 PHE H A 85 PHE HBy 1.0 . 3.81 216 200 A 85 PHE H A 85 PHE HBx 1.0 . 3.35 217 201 A 85 PHE H A 83 THR HG2% 1.0 . 3.87 218 202 A 102 GLN HA A 103 GLU H 1.0 . 2.98 219 203 A 105 GLN H A 105 GLN HBx 1.0 . 3.10 220 204 A 101 ARG HA A 102 GLN H 1.0 . 3.49 221 205 A 102 GLN H A 102 GLN HBy 1.0 . 3.19 222 205 A 102 GLN H A 102 GLN HBx 1.0 . 3.19 223 206 A 89 LYS H A 90 LEU H 1.0 . 3.12 224 207 A 87 ALA HB% A 88 ARG H 1.0 . 3.48 225 208 A 90 LEU H A 91 HIS H 1.0 . 3.78 226 209 A 41 LEU H A 40 GLN HBx 1.0 . 3.36 227 209 A 40 GLN HBy A 41 LEU H 1.0 . 3.36 228 210 A 41 LEU HBy A 41 LEU H 1.0 . 2.78 229 211 A 90 LEU H A 90 LEU HBx 1.0 . 4.05 230 212 A 40 GLN H A 41 LEU H 1.0 . 3.32 231 213 A 85 PHE HA A 86 ASP H 1.0 . 2.73 232 214 A 86 ASP HBy A 86 ASP H 1.0 . 3.54 233 215 A 29 ASP H A 29 ASP HBx 1.0 . 3.21 234 216 A 86 ASP H A 86 ASP HBx 1.0 . 3.41 235 217 A 97 ALA H A 96 HIS HBx 1.0 . 2.91 236 217 A 96 HIS HBy A 97 ALA H 1.0 . 2.91 237 218 A 97 ALA H A 97 ALA HB% 1.0 . 3.03 238 219 A 52 GLY H A 51 ILE H 1.0 . 3.63 239 220 A 103 GLU HA A 104 SER H 1.0 . 3.12 240 221 A 51 ILE H A 50 LYS HBy 1.0 . 3.60 241 222 A 51 ILE HB A 51 ILE H 1.0 . 2.82 242 223 A 51 ILE HD1% A 51 ILE H 1.0 . 3.62 243 224 A 51 ILE H A 51 ILE HG2% 1.0 . 3.96 244 225 A 51 ILE H A 21 VAL HB 1.0 . 4.57 245 226 A 96 HIS H A 96 HIS HBx 1.0 . 2.87 246 226 A 96 HIS HBy A 96 HIS H 1.0 . 2.87 247 227 A 55 ILE HB A 56 THR H 1.0 . 3.61 248 228 A 97 ALA HB% A 96 HIS H 1.0 . 4.48 249 229 A 57 GLU H A 56 THR H 1.0 . 3.61 250 230 A 56 THR H A 56 THR HB 1.0 . 3.02 251 231 A 56 THR H A 56 THR HG2% 1.0 . 3.90 252 232 A 55 ILE HG2% A 56 THR H 1.0 . 4.02 253 233 A 55 ILE HG1x A 56 THR H 1.0 . 5.17 254 234 A 55 ILE HD1% A 56 THR H 1.0 . 4.84 255 235 A 47 CYS H A 43 HIS HA 1.0 . 4.48 256 236 A 47 CYS H A 47 CYS HBy 1.0 . 2.89 257 237 A 47 CYS H A 47 CYS HBx 1.0 . 3.37 258 238 A 47 CYS H A 46 GLN HGx 1.0 . 5.07 259 239 A 47 CYS H A 46 GLN HBx 1.0 . 3.75 260 240 A 14 CYS HBx A 15 LYS H 1.0 . 4.20 261 241 A 15 LYS H A 78 PHE HZ 1.0 . 4.91 262 242 A 15 LYS H A 78 PHE HD% 1.0 . 4.80 263 243 A 47 CYS H A 46 GLN HBy 1.0 . 3.45 264 244 A 89 LYS H A 89 LYS HDy 1.0 . 3.93 265 245 A 89 LYS H A 89 LYS HDx 1.0 . 3.33 266 246 A 77 ILE H A 76 TRP H 1.0 . 3.60 267 247 A 76 TRP H A 76 TRP HD1 1.0 . 3.97 268 248 A 76 TRP HBy A 76 TRP H 1.0 . 3.60 269 249 A 76 TRP HBx A 76 TRP H 1.0 . 3.47 270 250 A 63 THR HG2% A 64 ASN H 1.0 . 4.33 271 251 A 55 ILE HD1% A 76 TRP H 1.0 . 4.69 272 252 A 63 THR H A 64 ASN H 1.0 . 3.93 273 253 A 64 ASN H A 63 THR HB 1.0 . 5.16 274 254 A 64 ASN H A 64 ASN HBx 1.0 . 3.23 275 254 A 64 ASN H A 64 ASN HBy 1.0 . 3.23 276 255 A 68 ILE H A 69 LYS H 1.0 . 3.57 277 256 A 68 ILE H A 62 TYR HD% 1.0 . 4.95 278 257 A 68 ILE H A 68 ILE HG1x 1.0 . 3.76 279 257 A 68 ILE H A 68 ILE HG1y 1.0 . 3.76 280 258 A 100 LYS H A 99 LYS HBx 1.0 . 2.95 281 258 A 99 LYS HBy A 100 LYS H 1.0 . 2.95 282 259 A 100 LYS H A 100 LYS HBx 1.0 . 3.21 283 260 A 100 LYS H A 100 LYS HDx 1.0 . 5.01 284 260 A 100 LYS H A 100 LYS HDy 1.0 . 5.01 285 261 A 64 ASN HA A 64 ASN HD2y 1.0 . 4.54 286 262 A 64 ASN HD2y A 64 ASN HBx 1.0 . 3.86 287 262 A 64 ASN HBy A 64 ASN HD2y 1.0 . 3.86 288 263 A 12 SER H A 13 ILE H 1.0 . 3.19 289 264 A 42 GLU H A 41 LEU H 1.0 . 3.46 290 265 A 101 ARG HA A 101 ARG H 1.0 . 2.92 291 266 A 13 ILE H A 12 SER HBx 1.0 . 3.87 292 266 A 13 ILE H A 12 SER HBy 1.0 . 3.87 293 267 A 101 ARG H A 101 ARG HDx 1.0 . 4.65 294 268 A 13 ILE H A 13 ILE HB 1.0 . 3.14 295 269 A 42 GLU H A 41 LEU HBx 1.0 . 3.28 296 270 A 13 ILE H A 13 ILE HG1x 1.0 . 3.62 297 270 A 13 ILE H A 13 ILE HG1y 1.0 . 3.62 298 271 A 101 ARG H A 101 ARG HBy 1.0 . 3.34 299 272 A 101 ARG H A 100 LYS HBy 1.0 . 3.06 300 273 A 101 ARG H A 100 LYS HDx 1.0 . 4.19 301 273 A 100 LYS HDy A 101 ARG H 1.0 . 4.19 302 274 A 70 GLN H A 69 LYS H 1.0 . 3.78 303 275 A 40 GLN H A 39 GLU H 1.0 . 3.21 304 276 A 38 ARG H A 39 GLU H 1.0 . 3.64 305 277 A 39 GLU H A 39 GLU HGx 1.0 . 2.92 306 277 A 39 GLU HGy A 39 GLU H 1.0 . 2.92 307 278 A 66 GLU H A 67 GLN H 1.0 . 3.15 308 279 A 68 ILE H A 67 GLN H 1.0 . 3.52 309 280 A 64 ASN HA A 67 GLN H 1.0 . 5.02 310 281 A 67 GLN H A 67 GLN HBy 1.0 . 3.08 311 282 A 56 THR HA A 59 LEU H 1.0 . 3.84 312 283 A 59 LEU H A 59 LEU HBy 1.0 . 2.72 313 284 A 59 LEU H A 58 CYS HBx 1.0 . 3.15 314 285 A 17 ARG HBy A 18 MET H 1.0 . 3.35 315 286 A 30 ARG H A 30 ARG HBx 1.0 . 2.89 316 286 A 30 ARG H A 30 ARG HBy 1.0 . 2.89 317 287 A 29 ASP H A 30 ARG H 1.0 . 3.40 318 288 A 21 VAL HA A 25 LEU H 1.0 . 4.90 319 289 A 23 ALA H A 25 LEU H 1.0 . 5.50 320 290 A 25 LEU H A 22 LYS HA 1.0 . 3.67 321 291 A 25 LEU H A 24 ALA HB% 1.0 . 3.26 322 292 A 25 LEU H A 25 LEU HBx 1.0 . 3.42 323 293 A 25 LEU H A 25 LEU HBy 1.0 . 3.82 324 294 A 26 LYS H A 26 LYS HBy 1.0 . 3.51 325 295 A 69 LYS H A 69 LYS HBx 1.0 . 2.91 326 295 A 69 LYS H A 69 LYS HBy 1.0 . 2.91 327 296 A 83 THR HG2% A 83 THR H 1.0 . 3.50 328 297 A 55 ILE H A 54 HIS H 1.0 . 3.05 329 298 A 52 GLY H A 54 HIS H 1.0 . 5.04 330 299 A 53 ASP H A 54 HIS H 1.0 . 3.49 331 300 A 51 ILE HA A 54 HIS H 1.0 . 3.73 332 301 A 54 HIS H A 54 HIS HBy 1.0 . 3.11 333 302 A 53 ASP HBx A 54 HIS H 1.0 . 3.85 334 303 A 22 LYS H A 21 VAL HGx% 1.0 . 3.84 335 304 A 67 GLN HE2y A 67 GLN HGy 1.0 . 3.78 336 305 A 22 LYS H A 21 VAL HB 1.0 . 4.50 337 306 A 67 GLN HE2y A 67 GLN HGx 1.0 . 3.98 338 307 A 97 ALA H A 98 ILE H 1.0 . 3.45 339 308 A 22 LYS H A 21 VAL H 1.0 . 3.17 340 309 A 22 LYS H A 21 VAL HA 1.0 . 3.52 341 310 A 97 ALA HB% A 98 ILE H 1.0 . 3.49 342 311 A 69 LYS H A 68 ILE HD1% 1.0 . 3.38 343 312 A 57 GLU H A 56 THR HB 1.0 . 3.27 344 313 A 54 HIS HA A 57 GLU H 1.0 . 3.64 345 314 A 57 GLU H A 55 ILE HA 1.0 . 4.63 346 315 A 57 GLU H A 58 CYS HBy 1.0 . 4.66 347 316 A 57 GLU H A 57 GLU HGy 1.0 . 3.52 348 317 A 57 GLU H A 57 GLU HGx 1.0 . 3.96 349 318 A 57 GLU H A 56 THR HG2% 1.0 . 3.94 350 319 A 10 THR HG2% A 71 TRP HZ2 1.0 . 4.32 351 320 A 71 TRP HZ2 A 13 ILE HG2% 1.0 . 4.11 352 321 A 50 LYS H A 50 LYS HBy 1.0 . 3.13 353 322 A 50 LYS H A 51 ILE H 1.0 . 3.28 354 323 A 26 LYS H A 27 GLN H 1.0 . 3.18 355 324 A 28 LEU H A 29 ASP HA 1.0 . 5.40 356 325 A 28 LEU H A 28 LEU HA 1.0 . 2.87 357 326 A 27 GLN H A 27 GLN HGy 1.0 . 3.63 358 327 A 27 GLN H A 27 GLN HGx 1.0 . 3.87 359 328 A 27 GLN H A 27 GLN HBx 1.0 . 2.78 360 328 A 27 GLN H A 27 GLN HBy 1.0 . 2.78 361 329 A 50 LYS H A 50 LYS HBx 1.0 . 2.96 362 330 A 82 PHE H A 81 LYS H 1.0 . 3.27 363 331 A 74 ASN HBy A 71 TRP HE3 1.0 . 3.90 364 332 A 23 ALA HB% A 27 GLN H 1.0 . 4.41 365 333 A 36 SER H A 35 LEU H 1.0 . 4.14 366 334 A 81 LYS H A 80 SER H 1.0 . 3.58 367 335 A 74 ASN HD2y A 71 TRP HE3 1.0 . 4.62 368 336 A 76 TRP HA A 76 TRP HE3 1.0 . 3.20 369 337 A 71 TRP HE3 A 71 TRP HA 1.0 . 3.16 370 338 A 35 LEU H A 34 GLY HAy 1.0 . 3.37 371 339 A 81 LYS H A 79 VAL HA 1.0 . 3.96 372 340 A 76 TRP HBy A 76 TRP HE3 1.0 . 3.80 373 341 A 71 TRP HBy A 71 TRP HE3 1.0 . 3.45 374 342 A 79 VAL HB A 76 TRP HE3 1.0 . 3.47 375 343 A 74 ASN HBx A 71 TRP HE3 1.0 . 3.98 376 344 A 28 LEU H A 28 LEU HBx 1.0 . 2.86 377 345 A 35 LEU HBx A 35 LEU H 1.0 . 2.90 378 346 A 71 TRP HE3 A 75 LEU HDx% 1.0 . 3.26 379 346 A 71 TRP HE3 A 75 LEU HDy% 1.0 . 3.26 380 347 A 28 LEU H A 28 LEU HDx% 1.0 . 3.25 381 348 A 35 LEU H A 35 LEU HDy% 1.0 . 3.72 382 348 A 35 LEU HDx% A 35 LEU H 1.0 . 3.72 383 349 A 55 ILE HD1% A 76 TRP HE3 1.0 . 4.68 384 350 A 73 LYS H A 74 ASN H 1.0 . 3.07 385 351 A 15 LYS H A 16 GLU H 1.0 . 3.52 386 352 A 16 GLU H A 13 ILE HA 1.0 . 3.61 387 353 A 16 GLU H A 16 GLU HBx 1.0 . 2.85 388 353 A 16 GLU H A 16 GLU HBy 1.0 . 2.85 389 354 A 73 LYS H A 73 LYS HBx 1.0 . 3.10 390 354 A 73 LYS H A 73 LYS HBy 1.0 . 3.10 391 355 A 16 GLU H A 15 LYS HBx 1.0 . 3.17 392 355 A 16 GLU H A 15 LYS HBy 1.0 . 3.17 393 356 A 6 LEU HDy% A 11 PHE HE% 1.0 . 4.69 394 357 A 61 GLU HA A 62 TYR H 1.0 . 3.53 395 358 A 62 TYR H A 59 LEU HA 1.0 . 4.12 396 359 A 62 TYR HBy A 62 TYR H 1.0 . 3.62 397 360 A 62 TYR HBx A 62 TYR H 1.0 . 3.47 398 361 A 62 TYR H A 61 GLU HBy 1.0 . 3.61 399 362 A 85 PHE HE% A 89 LYS HGx 1.0 . 5.09 400 363 A 62 TYR H A 61 GLU HBx 1.0 . 3.43 401 364 A 100 LYS H A 99 LYS H 1.0 . 3.60 402 365 A 99 LYS H A 99 LYS HBx 1.0 . 2.80 403 365 A 99 LYS HBy A 99 LYS H 1.0 . 2.80 404 366 A 98 ILE H A 99 LYS H 1.0 . 3.21 405 367 A 11 PHE H A 11 PHE HD% 1.0 . 4.25 406 368 A 78 PHE HD% A 11 PHE HD% 1.0 . 3.80 407 369 A 21 VAL H A 18 MET HA 1.0 . 4.95 408 370 A 11 PHE HD% A 11 PHE HA 1.0 . 3.51 409 371 A 11 PHE HD% A 6 LEU HBy 1.0 . 3.72 410 372 A 6 LEU HBx A 11 PHE HD% 1.0 . 3.70 411 373 A 6 LEU HDy% A 11 PHE HD% 1.0 . 3.60 412 374 A 21 VAL HGy% A 21 VAL H 1.0 . 3.24 413 375 A 55 ILE HD1% A 76 TRP HD1 1.0 . 5.40 414 376 A 82 PHE H A 82 PHE HD% 1.0 . 3.19 415 377 A 64 ASN HA A 64 ASN HD2x 1.0 . 4.74 416 378 A 82 PHE HD% A 82 PHE HA 1.0 . 3.37 417 379 A 24 ALA H A 24 ALA HB% 1.0 . 2.95 418 380 A 82 PHE HD% A 25 LEU HDy% 1.0 . 3.50 419 380 A 82 PHE HD% A 25 LEU HDx% 1.0 . 3.50 420 381 A 57 GLU HA A 60 LYS H 1.0 . 3.75 421 382 A 40 GLN H A 40 GLN HE2y 1.0 . 5.08 422 383 A 40 GLN HGy A 40 GLN HE2y 1.0 . 3.60 423 384 A 40 GLN HGx A 40 GLN HE2y 1.0 . 3.79 424 385 A 40 GLN HE2y A 40 GLN HBx 1.0 . 4.64 425 385 A 40 GLN HBy A 40 GLN HE2y 1.0 . 4.64 426 386 A 84 GLU H A 85 PHE HD% 1.0 . 4.53 427 387 A 85 PHE H A 85 PHE HD% 1.0 . 3.90 428 388 A 86 ASP H A 85 PHE HD% 1.0 . 3.90 429 389 A 85 PHE HA A 85 PHE HD% 1.0 . 3.03 430 390 A 89 LYS HGx A 85 PHE HD% 1.0 . 4.24 431 391 A 71 TRP HZ3 A 75 LEU HDx% 1.0 . 3.43 432 391 A 75 LEU HDy% A 71 TRP HZ3 1.0 . 3.43 433 392 A 85 PHE HD% A 93 LEU HDx% 1.0 . 4.12 434 393 A 71 TRP HZ3 A 14 CYS HA 1.0 . 4.77 435 394 A 10 THR HG2% A 71 TRP HZ3 1.0 . 3.88 436 395 A 75 LEU H A 71 TRP HZ3 1.0 . 5.50 437 396 A 71 TRP HA A 71 TRP HZ3 1.0 . 4.57 438 397 A 74 ASN HBy A 71 TRP HZ3 1.0 . 4.74 439 398 A 74 ASN HBx A 71 TRP HZ3 1.0 . 3.84 440 399 A 13 ILE HG2% A 71 TRP HZ3 1.0 . 3.74 441 400 A 18 MET HBy A 19 ARG H 1.0 . 4.64 442 401 A 13 ILE H A 71 TRP HH2 1.0 . 4.56 443 402 A 74 ASN HD2y A 71 TRP HH2 1.0 . 5.34 444 403 A 10 THR HG2% A 71 TRP HH2 1.0 . 3.73 445 404 A 13 ILE HG2% A 71 TRP HH2 1.0 . 3.55 446 405 A 14 CYS H A 71 TRP HH2 1.0 . 4.42 447 406 A 13 ILE HA A 71 TRP HH2 1.0 . 5.04 448 407 A 19 ARG H A 19 ARG HBy 1.0 . 3.12 449 408 A 13 ILE HB A 71 TRP HH2 1.0 . 3.49 450 409 A 19 ARG H A 18 MET HBx 1.0 . 4.32 451 410 A 78 PHE HZ A 15 LYS HGy 1.0 . 4.00 452 411 A 52 GLY H A 94 TYR HD% 1.0 . 4.27 453 412 A 94 TYR HD% A 95 LYS H 1.0 . 3.98 454 413 A 94 TYR HD% A 94 TYR HA 1.0 . 3.31 455 414 A 49 ILE HA A 94 TYR HD% 1.0 . 3.08 456 415 A 94 TYR HD% A 95 LYS HA 1.0 . 4.55 457 416 A 94 TYR HD% A 52 GLY HAy 1.0 . 4.60 458 417 A 94 TYR HD% A 49 ILE HG2% 1.0 . 3.89 459 418 A 94 TYR HD% A 98 ILE HG2% 1.0 . 4.15 460 419 A 53 ASP H A 94 TYR HD% 1.0 . 4.49 461 420 A 59 LEU H A 61 GLU H 1.0 . 4.22 462 421 A 67 GLN HE2x A 62 TYR HBy 1.0 . 3.59 463 422 A 62 TYR HBx A 61 GLU H 1.0 . 5.20 464 423 A 59 LEU HBy A 61 GLU H 1.0 . 4.87 465 424 A 59 LEU HA A 61 GLU H 1.0 . 4.19 466 425 A 61 GLU HBy A 61 GLU H 1.0 . 3.01 467 426 A 61 GLU HBx A 61 GLU H 1.0 . 3.25 468 427 A 74 ASN HD2y A 70 GLN HE2y 1.0 . 5.11 469 428 A 76 TRP HH2 A 94 TYR HE% 1.0 . 5.14 470 429 A 94 TYR HE% A 53 ASP HA 1.0 . 4.37 471 430 A 94 TYR HE% A 53 ASP HBx 1.0 . 5.46 472 431 A 70 GLN HE2y A 70 GLN HGy 1.0 . 3.71 473 432 A 94 TYR HE% A 76 TRP HE1 1.0 . 5.50 474 433 A 52 GLY H A 94 TYR HE% 1.0 . 4.20 475 434 A 94 TYR HE% A 49 ILE HA 1.0 . 3.03 476 435 A 94 TYR HE% A 52 GLY HAx 1.0 . 3.60 477 436 A 53 ASP HBy A 94 TYR HE% 1.0 . 4.47 478 437 A 94 TYR HE% A 52 GLY HAy 1.0 . 4.25 479 438 A 94 TYR HE% A 98 ILE HG2% 1.0 . 3.74 480 439 A 94 TYR HE% A 98 ILE HD1% 1.0 . 3.83 481 440 A 71 TRP HE1 A 62 TYR HD% 1.0 . 5.50 482 441 A 52 GLY HAy A 76 TRP HZ2 1.0 . 3.74 483 442 A 55 ILE HG2% A 76 TRP HZ2 1.0 . 4.97 484 443 A 55 ILE HD1% A 76 TRP HZ2 1.0 . 4.36 485 444 A 63 THR H A 62 TYR HD% 1.0 . 4.46 486 445 A 67 GLN HE2y A 62 TYR HD% 1.0 . 4.82 487 446 A 62 TYR HA A 62 TYR HD% 1.0 . 3.19 488 447 A 62 TYR HD% A 59 LEU HA 1.0 . 2.97 489 448 A 68 ILE HA A 62 TYR HD% 1.0 . 3.89 490 449 A 62 TYR HD% A 67 GLN HBy 1.0 . 4.77 491 450 A 67 GLN HBx A 62 TYR HD% 1.0 . 4.11 492 451 A 62 TYR HD% A 59 LEU HBx 1.0 . 3.49 493 452 A 59 LEU HDy% A 62 TYR HD% 1.0 . 3.46 494 453 A 27 GLN HE2x A 27 GLN HBx 1.0 . 4.99 495 453 A 27 GLN HBy A 27 GLN HE2x 1.0 . 4.99 496 454 A 79 VAL H A 78 PHE HD% 1.0 . 3.70 497 455 A 75 LEU HA A 78 PHE HD% 1.0 . 4.02 498 456 A 78 PHE HD% A 78 PHE HA 1.0 . 3.24 499 457 A 78 PHE HD% A 79 VAL HA 1.0 . 3.74 500 458 A 78 PHE HD% A 18 MET HBy 1.0 . 3.70 501 459 A 78 PHE HD% A 18 MET HGx 1.0 . 5.00 502 460 A 78 PHE HD% A 14 CYS HBy 1.0 . 3.90 503 461 A 6 LEU HDy% A 78 PHE HD% 1.0 . 3.66 504 462 A 79 VAL HGx% A 78 PHE HD% 1.0 . 3.65 505 463 A 14 CYS HBx A 78 PHE HD% 1.0 . 3.65 506 464 A 78 PHE HD% A 25 LEU HDy% 1.0 . 3.74 507 464 A 78 PHE HD% A 25 LEU HDx% 1.0 . 3.74 508 465 A 55 ILE HD1% A 78 PHE HD% 1.0 . 5.50 509 466 A 52 GLY H A 76 TRP HZ3 1.0 . 5.50 510 467 A 82 PHE H A 82 PHE HE% 1.0 . 4.46 511 468 A 82 PHE HE% A 26 LYS HA 1.0 . 5.05 512 469 A 76 TRP HZ3 A 90 LEU HA 1.0 . 4.56 513 470 A 79 VAL HB A 76 TRP HZ3 1.0 . 4.39 514 471 A 76 TRP HZ3 A 90 LEU HG 1.0 . 4.10 515 472 A 76 TRP HZ3 A 90 LEU HDy% 1.0 . 3.23 516 473 A 55 ILE HD1% A 76 TRP HZ3 1.0 . 4.91 517 474 A 82 PHE HA A 82 PHE HE% 1.0 . 5.16 518 475 A 15 LYS HGx A 78 PHE HE% 1.0 . 5.40 519 476 A 15 LYS H A 78 PHE HE% 1.0 . 4.35 520 477 A 18 MET HA A 78 PHE HE% 1.0 . 5.18 521 478 A 78 PHE HE% A 15 LYS HA 1.0 . 3.49 522 479 A 78 PHE HE% A 18 MET HGy 1.0 . 4.59 523 480 A 18 MET HBy A 78 PHE HE% 1.0 . 4.18 524 481 A 18 MET HGx A 78 PHE HE% 1.0 . 4.32 525 482 A 15 LYS HGy A 78 PHE HE% 1.0 . 3.69 526 483 A 78 PHE HE% A 25 LEU HDy% 1.0 . 3.38 527 483 A 25 LEU HDx% A 78 PHE HE% 1.0 . 3.38 528 484 A 71 TRP H A 71 TRP HD1 1.0 . 3.42 529 485 A 68 ILE H A 71 TRP HD1 1.0 . 5.50 530 486 A 67 GLN HE2y A 71 TRP HD1 1.0 . 5.12 531 487 A 71 TRP HD1 A 62 TYR HE% 1.0 . 4.23 532 488 A 59 LEU HA A 71 TRP HD1 1.0 . 5.41 533 489 A 71 TRP HD1 A 67 GLN HA 1.0 . 3.45 534 490 A 68 ILE HA A 71 TRP HD1 1.0 . 4.52 535 491 A 62 TYR HBy A 71 TRP HD1 1.0 . 4.46 536 492 A 71 TRP HBy A 71 TRP HD1 1.0 . 3.57 537 493 A 71 TRP HBx A 71 TRP HD1 1.0 . 3.39 538 494 A 67 GLN HGy A 71 TRP HD1 1.0 . 3.81 539 495 A 67 GLN HGx A 71 TRP HD1 1.0 . 3.83 540 496 A 67 GLN HBx A 71 TRP HD1 1.0 . 3.25 541 497 A 59 LEU HDy% A 71 TRP HD1 1.0 . 4.31 542 498 A 76 TRP HH2 A 94 TYR H 1.0 . 4.44 543 499 A 76 TRP HH2 A 95 LYS H 1.0 . 5.50 544 500 A 76 TRP HH2 A 94 TYR HD% 1.0 . 3.93 545 501 A 76 TRP HH2 A 94 TYR HBy 1.0 . 3.36 546 502 A 76 TRP HH2 A 48 LEU HDx% 1.0 . 3.96 547 503 A 76 TRP HH2 A 55 ILE HD1% 1.0 . 4.84 548 504 A 75 LEU H A 74 ASN HD2y 1.0 . 5.50 549 505 A 74 ASN HD2y A 71 TRP HZ2 1.0 . 5.35 550 506 A 74 ASN HD2y A 71 TRP HZ3 1.0 . 5.14 551 507 A 74 ASN HA A 74 ASN HD2y 1.0 . 5.02 552 508 A 74 ASN HD2y A 71 TRP HA 1.0 . 4.21 553 509 A 74 ASN HBy A 74 ASN HD2y 1.0 . 3.95 554 510 A 74 ASN HBx A 74 ASN HD2y 1.0 . 3.97 555 511 A 74 ASN HD2y A 70 GLN HGy 1.0 . 4.39 556 512 A 70 GLN HBy A 74 ASN HD2y 1.0 . 4.41 557 513 A 71 TRP HE1 A 62 TYR HE% 1.0 . 4.55 558 514 A 71 TRP H A 62 TYR HE% 1.0 . 5.38 559 515 A 59 LEU H A 62 TYR HE% 1.0 . 4.94 560 516 A 67 GLN HE2y A 62 TYR HE% 1.0 . 4.97 561 517 A 71 TRP HE3 A 62 TYR HE% 1.0 . 5.14 562 518 A 62 TYR H A 62 TYR HE% 1.0 . 4.54 563 519 A 59 LEU HA A 62 TYR HE% 1.0 . 3.46 564 520 A 68 ILE HA A 62 TYR HE% 1.0 . 4.81 565 521 A 71 TRP HBy A 62 TYR HE% 1.0 . 3.90 566 522 A 71 TRP HBx A 62 TYR HE% 1.0 . 3.99 567 523 A 67 GLN HGy A 62 TYR HE% 1.0 . 5.50 568 524 A 67 GLN HBx A 62 TYR HE% 1.0 . 4.97 569 525 A 59 LEU HDy% A 62 TYR HE% 1.0 . 3.56 570 526 A 62 TYR HE% A 68 ILE HG2% 1.0 . 5.50 571 527 A 71 TRP HZ2 A 62 TYR HE% 1.0 . 5.50 572 528 A 67 GLN HE2x A 62 TYR HE% 1.0 . 4.94 573 529 A 61 GLU HBx A 62 TYR HE% 1.0 . 4.55 574 530 A 64 ASN HA A 65 PRO HGx 1.0 . 5.07 575 531 A 64 ASN HA A 67 GLN HBy 1.0 . 4.92 576 532 A 83 THR HA A 82 PHE HBy 1.0 . 4.76 577 533 A 62 TYR HA A 62 TYR HE% 1.0 . 4.54 578 534 A 36 SER HA A 37 GLU HA 1.0 . 4.68 579 535 A 90 LEU HDy% A 80 SER HA 1.0 . 4.26 580 536 A 3 LEU HA A 3 LEU HDy% 1.0 . 4.77 581 537 A 68 ILE HG2% A 65 PRO HA 1.0 . 4.17 582 538 A 59 LEU HDy% A 59 LEU HA 1.0 . 3.75 583 539 A 64 ASN HA A 65 PRO HDy 1.0 . 3.75 584 540 A 50 LYS HA A 49 ILE HD1% 1.0 . 5.50 585 541 A 50 LYS HA A 51 ILE HG1x 1.0 . 5.15 586 541 A 51 ILE HG1y A 50 LYS HA 1.0 . 5.15 587 542 A 33 LYS H A 32 GLU HA 1.0 . 3.16 588 543 A 24 ALA HA A 27 GLN HBx 1.0 . 3.25 589 543 A 27 GLN HBy A 24 ALA HA 1.0 . 3.25 590 544 A 67 GLN HA A 64 ASN HBx 1.0 . 5.30 591 544 A 64 ASN HBy A 67 GLN HA 1.0 . 5.30 592 545 A 26 LYS HA A 29 ASP HBy 1.0 . 5.47 593 546 A 78 PHE HBy A 75 LEU HA 1.0 . 4.80 594 547 A 97 ALA HB% A 94 TYR HA 1.0 . 4.47 595 548 A 55 ILE HD1% A 75 LEU HA 1.0 . 5.50 596 549 A 66 GLU HA A 66 GLU HGx 1.0 . 4.10 597 549 A 66 GLU HA A 66 GLU HGy 1.0 . 4.10 598 550 A 60 LYS HA A 60 LYS HGx 1.0 . 3.73 599 550 A 60 LYS HA A 60 LYS HGy 1.0 . 3.73 600 551 A 11 PHE HBy A 8 GLN HA 1.0 . 3.85 601 552 A 27 GLN H A 23 ALA HA 1.0 . 4.70 602 553 A 17 ARG HA A 17 ARG HDy 1.0 . 4.42 603 554 A 40 GLN HGx A 40 GLN HA 1.0 . 4.11 604 555 A 6 LEU HDy% A 78 PHE HA 1.0 . 4.45 605 556 A 98 ILE HG2% A 99 LYS HA 1.0 . 3.95 606 557 A 74 ASN HBy A 71 TRP HA 1.0 . 4.43 607 558 A 71 TRP HA A 75 LEU HDx% 1.0 . 4.34 608 558 A 71 TRP HA A 75 LEU HDy% 1.0 . 4.34 609 559 A 37 GLU HGy A 37 GLU HA 1.0 . 4.17 610 560 A 78 PHE HD% A 11 PHE HA 1.0 . 4.68 611 561 A 90 LEU HBx A 87 ALA HA 1.0 . 4.34 612 562 A 12 SER H A 12 SER HBx 1.0 . 3.64 613 562 A 12 SER H A 12 SER HBy 1.0 . 3.64 614 563 A 64 ASN HA A 65 PRO HDx 1.0 . 3.42 615 564 A 57 GLU HA A 60 LYS HDx 1.0 . 3.50 616 564 A 57 GLU HA A 60 LYS HDy 1.0 . 3.50 617 565 A 57 GLU HA A 60 LYS HGx 1.0 . 5.14 618 565 A 57 GLU HA A 60 LYS HGy 1.0 . 5.14 619 566 A 57 GLU HGy A 57 GLU HA 1.0 . 3.40 620 567 A 89 LYS HA A 89 LYS HGy 1.0 . 4.21 621 568 A 47 CYS HBy A 44 THR HA 1.0 . 4.41 622 569 A 47 CYS HBx A 44 THR HA 1.0 . 4.07 623 570 A 61 GLU HA A 61 GLU HGx 1.0 . 3.96 624 570 A 61 GLU HA A 61 GLU HGy 1.0 . 3.96 625 571 A 70 GLN HE2y A 70 GLN HA 1.0 . 4.43 626 572 A 76 TRP H A 72 ARG HA 1.0 . 4.84 627 573 A 71 TRP HZ3 A 74 ASN HD2x 1.0 . 5.37 628 574 A 34 GLY HAy A 32 GLU HGx 1.0 . 5.50 629 574 A 32 GLU HGy A 34 GLY HAy 1.0 . 5.50 630 575 A 59 LEU HBx A 72 ARG HA 1.0 . 4.18 631 576 A 76 TRP HD1 A 72 ARG HA 1.0 . 4.59 632 577 A 5 SER HA A 5 SER HBx 1.0 . 2.99 633 577 A 5 SER HA A 5 SER HBy 1.0 . 2.99 634 578 A 22 LYS HA A 22 LYS HGx 1.0 . 3.78 635 578 A 22 LYS HA A 22 LYS HGy 1.0 . 3.78 636 579 A 55 ILE HB A 56 THR HA 1.0 . 4.42 637 580 A 94 TYR H A 90 LEU HA 1.0 . 4.82 638 581 A 21 VAL HB A 22 LYS HA 1.0 . 4.94 639 582 A 56 THR HA A 59 LEU HBy 1.0 . 3.34 640 583 A 90 LEU HA A 90 LEU HDy% 1.0 . 4.59 641 584 A 85 PHE HBx A 90 LEU HA 1.0 . 4.75 642 585 A 28 LEU H A 25 LEU HA 1.0 . 4.21 643 586 A 24 ALA H A 25 LEU HA 1.0 . 5.32 644 587 A 24 ALA HB% A 25 LEU HA 1.0 . 4.08 645 588 A 32 GLU H A 31 PRO HDx 1.0 . 5.33 646 588 A 32 GLU H A 31 PRO HDy 1.0 . 5.33 647 589 A 30 ARG H A 31 PRO HDx 1.0 . 4.33 648 589 A 30 ARG H A 31 PRO HDy 1.0 . 4.33 649 590 A 18 MET H A 14 CYS HA 1.0 . 4.20 650 591 A 16 GLU H A 14 CYS HA 1.0 . 4.63 651 592 A 68 ILE HA A 62 TYR HBy 1.0 . 4.61 652 593 A 78 PHE HD% A 14 CYS HA 1.0 . 4.81 653 594 A 68 ILE HA A 62 TYR HBx 1.0 . 4.03 654 595 A 68 ILE HA A 67 GLN HBy 1.0 . 5.17 655 596 A 68 ILE HA A 68 ILE HG1x 1.0 . 3.61 656 596 A 68 ILE HA A 68 ILE HG1y 1.0 . 3.61 657 597 A 68 ILE HA A 68 ILE HG2% 1.0 . 3.76 658 598 A 83 THR HG2% A 79 VAL HA 1.0 . 4.39 659 599 A 79 VAL HGx% A 79 VAL HA 1.0 . 3.09 660 600 A 55 ILE HD1% A 79 VAL HA 1.0 . 5.50 661 601 A 51 ILE HA A 54 HIS HBy 1.0 . 4.25 662 602 A 51 ILE HA A 21 VAL HB 1.0 . 4.02 663 603 A 51 ILE HA A 24 ALA HB% 1.0 . 4.09 664 604 A 51 ILE HA A 21 VAL HGy% 1.0 . 3.20 665 605 A 98 ILE H A 95 LYS HA 1.0 . 3.88 666 606 A 51 ILE HA A 51 ILE HG1x 1.0 . 3.54 667 606 A 51 ILE HG1y A 51 ILE HA 1.0 . 3.54 668 607 A 43 HIS HBy A 40 GLN HA 1.0 . 3.98 669 608 A 43 HIS HBy A 40 GLN HBx 1.0 . 4.96 670 608 A 40 GLN HBy A 43 HIS HBy 1.0 . 4.96 671 609 A 45 ARG H A 45 ARG HDx 1.0 . 5.12 672 609 A 45 ARG H A 45 ARG HDy 1.0 . 5.12 673 610 A 43 HIS HBx A 42 GLU H 1.0 . 5.26 674 611 A 43 HIS HBx A 40 GLN HA 1.0 . 4.40 675 612 A 45 ARG HA A 45 ARG HDx 1.0 . 4.57 676 612 A 45 ARG HA A 45 ARG HDy 1.0 . 4.57 677 613 A 38 ARG HBy A 38 ARG HDx 1.0 . 3.63 678 613 A 38 ARG HBy A 38 ARG HDy 1.0 . 3.63 679 614 A 101 ARG HBy A 101 ARG HDy 1.0 . 3.73 680 615 A 51 ILE HB A 52 GLY HAx 1.0 . 4.38 681 616 A 76 TRP HZ2 A 94 TYR HBy 1.0 . 3.63 682 617 A 76 TRP HZ3 A 94 TYR HBy 1.0 . 4.82 683 618 A 59 LEU H A 55 ILE HA 1.0 . 4.64 684 619 A 53 ASP HA A 52 GLY HAx 1.0 . 4.52 685 620 A 55 ILE HG1x A 55 ILE HA 1.0 . 3.19 686 621 A 55 ILE HD1% A 55 ILE HA 1.0 . 3.85 687 622 A 15 LYS HGy A 15 LYS HA 1.0 . 3.24 688 623 A 95 LYS H A 94 TYR HBx 1.0 . 3.39 689 624 A 18 MET HA A 20 PRO HDx 1.0 . 4.72 690 624 A 18 MET HA A 20 PRO HDy 1.0 . 4.72 691 625 A 85 PHE HBy A 90 LEU HA 1.0 . 3.40 692 626 A 96 HIS HA A 96 HIS HBx 1.0 . 3.02 693 626 A 96 HIS HBy A 96 HIS HA 1.0 . 3.02 694 627 A 7 ASP H A 7 ASP HBy 1.0 . 3.72 695 628 A 58 CYS HBy A 59 LEU H 1.0 . 3.88 696 629 A 55 ILE HG2% A 58 CYS HBy 1.0 . 5.12 697 630 A 8 GLN H A 7 ASP HBy 1.0 . 3.41 698 631 A 62 TYR HBy A 68 ILE HG2% 1.0 . 4.46 699 632 A 67 GLN HBx A 62 TYR HBy 1.0 . 3.70 700 633 A 62 TYR HBy A 64 ASN H 1.0 . 3.87 701 634 A 62 TYR HBy A 67 GLN H 1.0 . 4.90 702 635 A 67 GLN HE2y A 62 TYR HBy 1.0 . 3.45 703 636 A 53 ASP HBy A 50 LYS HA 1.0 . 3.51 704 637 A 62 TYR HBy A 67 GLN HBy 1.0 . 3.71 705 638 A 54 HIS HBx A 21 VAL HGx% 1.0 . 3.52 706 639 A 67 GLN HBx A 64 ASN HBx 1.0 . 3.91 707 639 A 67 GLN HBx A 64 ASN HBy 1.0 . 3.91 708 640 A 71 TRP HBy A 62 TYR HD% 1.0 . 4.75 709 641 A 73 LYS HEx A 73 LYS HGx 1.0 . 3.84 710 641 A 73 LYS HEy A 73 LYS HGx 1.0 . 3.84 711 641 A 73 LYS HGy A 73 LYS HEx 1.0 . 3.84 712 641 A 73 LYS HGy A 73 LYS HEy 1.0 . 3.84 713 642 A 82 PHE HBx A 25 LEU HDy% 1.0 . 4.50 714 642 A 82 PHE HBx A 25 LEU HDx% 1.0 . 4.50 715 643 A 83 THR HA A 82 PHE HBx 1.0 . 5.45 716 644 A 73 LYS HBy A 73 LYS HEx 1.0 . 3.89 717 644 A 73 LYS HBx A 73 LYS HEx 1.0 . 3.89 718 644 A 73 LYS HEy A 73 LYS HBx 1.0 . 3.89 719 644 A 73 LYS HBy A 73 LYS HEy 1.0 . 3.89 720 645 A 82 PHE HBx A 83 THR HG2% 1.0 . 4.07 721 646 A 13 ILE HG2% A 17 ARG HDx 1.0 . 4.03 722 647 A 30 ARG H A 29 ASP HBy 1.0 . 4.00 723 648 A 29 ASP H A 29 ASP HBy 1.0 . 3.45 724 649 A 62 TYR HBx A 68 ILE H 1.0 . 4.58 725 650 A 107 ASN HBy A 106 GLN HGx 1.0 . 4.80 726 650 A 106 GLN HGy A 107 ASN HBy 1.0 . 4.80 727 651 A 85 PHE HBx A 93 LEU HDx% 1.0 . 4.87 728 652 A 62 TYR HBx A 68 ILE HB 1.0 . 4.37 729 653 A 83 THR HA A 29 ASP HBx 1.0 . 4.42 730 654 A 71 TRP HBx A 62 TYR HD% 1.0 . 4.84 731 655 A 50 LYS HA A 53 ASP HBx 1.0 . 4.08 732 656 A 85 PHE HA A 86 ASP HBx 1.0 . 4.30 733 657 A 7 ASP HBx A 8 GLN H 1.0 . 3.88 734 658 A 86 ASP HBx A 89 LYS HGx 1.0 . 4.59 735 659 A 10 THR H A 7 ASP HBx 1.0 . 5.18 736 660 A 89 LYS H A 86 ASP HBx 1.0 . 3.96 737 661 A 47 CYS HBx A 28 LEU HDx% 1.0 . 4.28 738 662 A 46 GLN HGy A 43 HIS HA 1.0 . 4.75 739 663 A 27 GLN HGy A 27 GLN HA 1.0 . 3.53 740 664 A 74 ASN HBy A 74 ASN HD2x 1.0 . 4.05 741 665 A 46 GLN HGx A 43 HIS HA 1.0 . 4.95 742 666 A 46 GLN HGx A 46 GLN HA 1.0 . 4.00 743 667 A 76 TRP HA A 79 VAL HB 1.0 . 3.46 744 668 A 67 GLN HGy A 67 GLN HA 1.0 . 3.55 745 669 A 67 GLN HGy A 64 ASN HBx 1.0 . 4.22 746 669 A 67 GLN HGy A 64 ASN HBy 1.0 . 4.22 747 670 A 55 ILE HD1% A 79 VAL HB 1.0 . 5.14 748 671 A 64 ASN HA A 65 PRO HBx 1.0 . 4.80 749 672 A 40 GLN HGy A 41 LEU H 1.0 . 5.12 750 673 A 36 SER HA A 40 GLN HGy 1.0 . 5.28 751 674 A 40 GLN HGy A 40 GLN HA 1.0 . 3.92 752 675 A 51 ILE HB A 52 GLY HAy 1.0 . 4.69 753 676 A 40 GLN HGy A 35 LEU HBx 1.0 . 4.07 754 677 A 55 ILE HG1y A 52 GLY HAy 1.0 . 4.04 755 678 A 65 PRO HBx A 68 ILE HG1x 1.0 . 5.22 756 678 A 68 ILE HG1y A 65 PRO HBx 1.0 . 5.22 757 679 A 76 TRP HH2 A 52 GLY HAy 1.0 . 4.26 758 680 A 55 ILE HB A 52 GLY HAy 1.0 . 5.50 759 681 A 55 ILE HD1% A 52 GLY HAy 1.0 . 4.61 760 682 A 78 PHE HD% A 18 MET HGy 1.0 . 4.41 761 683 A 18 MET HA A 18 MET HGy 1.0 . 4.17 762 684 A 42 GLU HA A 42 GLU HGx 1.0 . 3.43 763 684 A 42 GLU HGy A 42 GLU HA 1.0 . 3.43 764 685 A 21 VAL H A 20 PRO HBy 1.0 . 3.66 765 686 A 104 SER H A 103 GLU HGy 1.0 . 4.83 766 687 A 21 VAL HA A 21 VAL HB 1.0 . 2.92 767 688 A 16 GLU H A 16 GLU HGx 1.0 . 3.44 768 688 A 16 GLU H A 16 GLU HGy 1.0 . 3.44 769 689 A 16 GLU HA A 16 GLU HGx 1.0 . 3.54 770 689 A 16 GLU HGy A 16 GLU HA 1.0 . 3.54 771 690 A 13 ILE HA A 16 GLU HGx 1.0 . 4.01 772 690 A 13 ILE HA A 16 GLU HGy 1.0 . 4.01 773 691 A 16 GLU HBx A 16 GLU HGx 1.0 . 2.64 774 691 A 16 GLU HBy A 16 GLU HGx 1.0 . 2.64 775 691 A 16 GLU HGy A 16 GLU HBx 1.0 . 2.64 776 691 A 16 GLU HBy A 16 GLU HGy 1.0 . 2.64 777 692 A 36 SER HBx A 39 GLU HGx 1.0 . 2.96 778 692 A 36 SER HBx A 39 GLU HGy 1.0 . 2.96 779 693 A 39 GLU HBx A 39 GLU HGx 1.0 . 2.60 780 693 A 39 GLU HBy A 39 GLU HGx 1.0 . 2.60 781 693 A 39 GLU HGy A 39 GLU HBx 1.0 . 2.60 782 693 A 39 GLU HBy A 39 GLU HGy 1.0 . 2.60 783 694 A 37 GLU H A 39 GLU HGx 1.0 . 4.69 784 694 A 37 GLU H A 39 GLU HGy 1.0 . 4.69 785 695 A 3 LEU H A 2 PRO HBx 1.0 . 4.17 786 695 A 3 LEU H A 2 PRO HBy 1.0 . 4.17 787 696 A 35 LEU HBx A 39 GLU HGx 1.0 . 4.80 788 696 A 35 LEU HBx A 39 GLU HGy 1.0 . 4.80 789 697 A 35 LEU HDy% A 39 GLU HGx 1.0 . 3.74 790 697 A 35 LEU HDx% A 39 GLU HGx 1.0 . 3.74 791 697 A 39 GLU HGy A 35 LEU HDy% 1.0 . 3.74 792 697 A 35 LEU HDx% A 39 GLU HGy 1.0 . 3.74 793 698 A 46 GLN HBy A 43 HIS HA 1.0 . 3.94 794 699 A 27 GLN HA A 27 GLN HBx 1.0 . 2.85 795 699 A 27 GLN HBy A 27 GLN HA 1.0 . 2.85 796 700 A 24 ALA HB% A 27 GLN HBx 1.0 . 4.90 797 700 A 24 ALA HB% A 27 GLN HBy 1.0 . 4.90 798 701 A 67 GLN HBy A 64 ASN HBx 1.0 . 3.69 799 701 A 64 ASN HBy A 67 GLN HBy 1.0 . 3.69 800 702 A 18 MET HBy A 18 MET HE% 1.0 . 4.06 801 703 A 46 GLN HBx A 43 HIS HA 1.0 . 4.53 802 704 A 74 ASN HA A 74 ASN HBx 1.0 . 2.82 803 705 A 7 ASP HBy A 8 GLN HBx 1.0 . 4.63 804 705 A 8 GLN HBy A 7 ASP HBy 1.0 . 4.63 805 706 A 74 ASN H A 74 ASN HBx 1.0 . 3.56 806 707 A 7 ASP HA A 8 GLN HBx 1.0 . 4.62 807 707 A 8 GLN HBy A 7 ASP HA 1.0 . 4.62 808 708 A 11 PHE HBy A 8 GLN HBx 1.0 . 5.25 809 708 A 11 PHE HBy A 8 GLN HBy 1.0 . 5.25 810 709 A 67 GLN H A 66 GLU HBx 1.0 . 3.54 811 709 A 67 GLN H A 66 GLU HBy 1.0 . 3.54 812 710 A 13 ILE HA A 16 GLU HBx 1.0 . 3.23 813 710 A 13 ILE HA A 16 GLU HBy 1.0 . 3.23 814 711 A 37 GLU H A 37 GLU HBx 1.0 . 3.80 815 712 A 57 GLU HGy A 57 GLU HBx 1.0 . 2.92 816 712 A 57 GLU HGy A 57 GLU HBy 1.0 . 2.92 817 713 A 54 HIS HA A 57 GLU HBx 1.0 . 3.81 818 713 A 54 HIS HA A 57 GLU HBy 1.0 . 3.81 819 714 A 39 GLU H A 39 GLU HBx 1.0 . 3.08 820 714 A 39 GLU HBy A 39 GLU H 1.0 . 3.08 821 715 A 35 LEU HDx% A 39 GLU HBx 1.0 . 3.73 822 715 A 35 LEU HDy% A 39 GLU HBx 1.0 . 3.73 823 715 A 39 GLU HBy A 35 LEU HDy% 1.0 . 3.73 824 715 A 39 GLU HBy A 35 LEU HDx% 1.0 . 3.73 825 716 A 45 ARG HA A 45 ARG HBx 1.0 . 2.88 826 716 A 45 ARG HA A 45 ARG HBy 1.0 . 2.88 827 717 A 45 ARG HBx A 45 ARG HDx 1.0 . 3.37 828 717 A 45 ARG HBy A 45 ARG HDx 1.0 . 3.37 829 717 A 45 ARG HDy A 45 ARG HBx 1.0 . 3.37 830 717 A 45 ARG HBy A 45 ARG HDy 1.0 . 3.37 831 718 A 42 GLU HA A 42 GLU HBx 1.0 . 2.95 832 719 A 19 ARG HBy A 20 PRO HDx 1.0 . 3.28 833 719 A 19 ARG HBy A 20 PRO HDy 1.0 . 3.28 834 720 A 105 GLN HBx A 104 SER HA 1.0 . 4.75 835 721 A 18 MET HA A 18 MET HGx 1.0 . 3.97 836 722 A 98 ILE H A 98 ILE HB 1.0 . 3.76 837 723 A 9 LYS HA A 9 LYS HBx 1.0 . 2.76 838 723 A 9 LYS HBy A 9 LYS HA 1.0 . 2.76 839 724 A 99 LYS H A 98 ILE HB 1.0 . 3.90 840 725 A 84 GLU HA A 84 GLU HGx 1.0 . 3.08 841 725 A 84 GLU HA A 84 GLU HGy 1.0 . 3.08 842 726 A 83 THR HA A 84 GLU HGx 1.0 . 4.45 843 726 A 83 THR HA A 84 GLU HGy 1.0 . 4.45 844 727 A 89 LYS H A 89 LYS HBx 1.0 . 3.38 845 727 A 89 LYS H A 89 LYS HBy 1.0 . 3.38 846 728 A 90 LEU HA A 93 LEU HBy 1.0 . 3.42 847 729 A 50 LYS H A 49 ILE HB 1.0 . 3.89 848 730 A 17 ARG HBy A 17 ARG HDy 1.0 . 4.03 849 731 A 76 TRP H A 75 LEU HBy 1.0 . 3.39 850 732 A 70 GLN HA A 70 GLN HBx 1.0 . 2.84 851 733 A 13 ILE HB A 13 ILE HG1x 1.0 . 2.80 852 733 A 13 ILE HB A 13 ILE HG1y 1.0 . 2.80 853 734 A 70 GLN HBy A 71 TRP HD1 1.0 . 4.54 854 735 A 29 ASP HA A 28 LEU HBy 1.0 . 4.79 855 736 A 55 ILE HD1% A 75 LEU HBy 1.0 . 4.25 856 737 A 101 ARG HDy A 101 ARG HBx 1.0 . 3.83 857 738 A 27 GLN H A 26 LYS HBx 1.0 . 3.20 858 739 A 51 ILE HB A 76 TRP HZ3 1.0 . 4.69 859 740 A 51 ILE HB A 51 ILE HG1x 1.0 . 2.81 860 740 A 51 ILE HB A 51 ILE HG1y 1.0 . 2.81 861 741 A 22 LYS H A 22 LYS HBx 1.0 . 3.25 862 741 A 22 LYS H A 22 LYS HBy 1.0 . 3.25 863 742 A 78 PHE HD% A 18 MET HE% 1.0 . 3.87 864 743 A 6 LEU HA A 6 LEU HG 1.0 . 4.08 865 744 A 18 MET HA A 18 MET HE% 1.0 . 3.89 866 745 A 51 ILE HA A 18 MET HE% 1.0 . 4.15 867 746 A 55 ILE HG2% A 75 LEU HBx 1.0 . 2.73 868 747 A 55 ILE HG1x A 18 MET HE% 1.0 . 2.94 869 748 A 55 ILE HD1% A 18 MET HE% 1.0 . 3.62 870 749 A 55 ILE H A 18 MET HE% 1.0 . 4.61 871 750 A 45 ARG HA A 45 ARG HGy 1.0 . 3.72 872 751 A 45 ARG H A 45 ARG HGy 1.0 . 4.32 873 752 A 78 PHE HD% A 18 MET HBx 1.0 . 4.75 874 753 A 18 MET HBx A 78 PHE HE% 1.0 . 3.97 875 754 A 59 LEU HBx A 62 TYR HE% 1.0 . 4.51 876 755 A 61 GLU H A 61 GLU HGx 1.0 . 3.72 877 755 A 61 GLU H A 61 GLU HGy 1.0 . 3.72 878 756 A 84 GLU H A 84 GLU HBx 1.0 . 3.68 879 756 A 84 GLU H A 84 GLU HBy 1.0 . 3.68 880 757 A 55 ILE HD1% A 55 ILE HB 1.0 . 3.71 881 758 A 55 ILE HB A 55 ILE HA 1.0 . 2.92 882 759 A 93 LEU H A 93 LEU HG 1.0 . 4.88 883 760 A 38 ARG H A 38 ARG HGx 1.0 . 4.43 884 760 A 38 ARG H A 38 ARG HGy 1.0 . 4.43 885 761 A 49 ILE HD1% A 50 LYS HDx 1.0 . 3.79 886 761 A 49 ILE HD1% A 50 LYS HDy 1.0 . 3.79 887 762 A 101 ARG HDy A 100 LYS HDx 1.0 . 3.47 888 762 A 100 LYS HDy A 101 ARG HDy 1.0 . 3.47 889 763 A 86 ASP HBx A 89 LYS HDy 1.0 . 3.35 890 764 A 35 LEU HA A 35 LEU HG 1.0 . 3.48 891 765 A 40 GLN HE2x A 35 LEU HBx 1.0 . 5.50 892 766 A 9 LYS HGy A 9 LYS HA 1.0 . 3.14 893 767 A 94 TYR HD% A 97 ALA HB% 1.0 . 4.37 894 768 A 87 ALA HB% A 76 TRP HA 1.0 . 5.32 895 769 A 87 ALA HB% A 77 ILE HA 1.0 . 3.44 896 770 A 76 TRP HBy A 87 ALA HB% 1.0 . 3.93 897 771 A 87 ALA HB% A 86 ASP HBy 1.0 . 4.94 898 772 A 87 ALA HB% A 77 ILE HG1x 1.0 . 3.49 899 772 A 87 ALA HB% A 77 ILE HG1y 1.0 . 3.49 900 773 A 22 LYS HGy A 25 LEU HDy% 1.0 . 3.20 901 773 A 22 LYS HGx A 25 LEU HDy% 1.0 . 3.20 902 773 A 25 LEU HDx% A 22 LYS HGx 1.0 . 3.20 903 773 A 25 LEU HDx% A 22 LYS HGy 1.0 . 3.20 904 774 A 51 ILE H A 24 ALA HB% 1.0 . 4.79 905 775 A 21 VAL HA A 24 ALA HB% 1.0 . 3.90 906 776 A 24 ALA HB% A 47 CYS HA 1.0 . 3.65 907 777 A 47 CYS HBx A 24 ALA HB% 1.0 . 4.06 908 778 A 21 VAL HB A 24 ALA HB% 1.0 . 3.35 909 779 A 51 ILE HD1% A 24 ALA HB% 1.0 . 3.70 910 780 A 81 LYS H A 81 LYS HGx 1.0 . 4.19 911 781 A 24 ALA H A 23 ALA HB% 1.0 . 3.41 912 782 A 23 ALA HB% A 27 GLN HE2x 1.0 . 5.37 913 783 A 21 VAL HA A 23 ALA HB% 1.0 . 4.66 914 784 A 23 ALA HB% A 22 LYS HA 1.0 . 5.50 915 785 A 23 ALA HB% A 27 GLN HGy 1.0 . 5.41 916 786 A 84 GLU H A 83 THR HG2% 1.0 . 4.14 917 787 A 83 THR HG2% A 85 PHE HD% 1.0 . 5.50 918 788 A 83 THR HA A 83 THR HG2% 1.0 . 3.37 919 789 A 83 THR HG2% A 85 PHE HA 1.0 . 4.75 920 790 A 100 LYS HEy A 100 LYS HGx 1.0 . 3.82 921 790 A 100 LYS HEx A 100 LYS HGx 1.0 . 3.82 922 790 A 100 LYS HGy A 100 LYS HEx 1.0 . 3.82 923 790 A 100 LYS HGy A 100 LYS HEy 1.0 . 3.82 924 791 A 85 PHE HBx A 83 THR HG2% 1.0 . 4.11 925 792 A 82 PHE H A 83 THR HG2% 1.0 . 4.52 926 793 A 100 LYS H A 100 LYS HGx 1.0 . 4.50 927 793 A 100 LYS H A 100 LYS HGy 1.0 . 4.50 928 794 A 83 THR HG2% A 86 ASP HA 1.0 . 4.96 929 795 A 100 LYS HA A 100 LYS HGx 1.0 . 3.53 930 795 A 100 LYS HGy A 100 LYS HA 1.0 . 3.53 931 796 A 44 THR HG2% A 44 THR HA 1.0 . 2.98 932 797 A 85 PHE HBy A 83 THR HG2% 1.0 . 4.62 933 798 A 47 CYS HBx A 44 THR HG2% 1.0 . 5.38 934 799 A 44 THR HG2% A 28 LEU HDx% 1.0 . 3.56 935 800 A 44 THR H A 44 THR HG2% 1.0 . 3.91 936 801 A 56 THR HG2% A 57 GLU HGy 1.0 . 5.50 937 802 A 56 THR HG2% A 57 GLU HA 1.0 . 4.32 938 803 A 56 THR HA A 56 THR HG2% 1.0 . 3.15 939 804 A 63 THR HG2% A 62 TYR H 1.0 . 5.50 940 805 A 62 TYR HA A 63 THR HG2% 1.0 . 4.75 941 806 A 63 THR HG2% A 63 THR HA 1.0 . 3.02 942 807 A 62 TYR HBx A 63 THR HG2% 1.0 . 5.43 943 808 A 63 THR HG2% A 64 ASN HA 1.0 . 5.50 944 809 A 13 ILE HA A 13 ILE HG1x 1.0 . 3.37 945 809 A 13 ILE HG1y A 13 ILE HA 1.0 . 3.37 946 810 A 6 LEU HDy% A 77 ILE H 1.0 . 5.12 947 811 A 6 LEU HDy% A 79 VAL H 1.0 . 5.43 948 812 A 6 LEU HDy% A 78 PHE HE% 1.0 . 5.04 949 813 A 6 LEU HDy% A 6 LEU HA 1.0 . 4.09 950 814 A 6 LEU HDy% A 5 SER HA 1.0 . 5.50 951 815 A 65 PRO HA A 68 ILE HG1x 1.0 . 4.00 952 815 A 68 ILE HG1y A 65 PRO HA 1.0 . 4.00 953 816 A 6 LEU HDy% A 11 PHE HA 1.0 . 3.70 954 817 A 6 LEU HDy% A 78 PHE HBy 1.0 . 4.46 955 818 A 11 PHE HBy A 6 LEU HDy% 1.0 . 5.05 956 819 A 6 LEU HDy% A 78 PHE HBx 1.0 . 3.78 957 820 A 6 LEU HDy% A 77 ILE HB 1.0 . 3.66 958 821 A 6 LEU HBx A 6 LEU HDy% 1.0 . 3.67 959 822 A 62 TYR HD% A 68 ILE HG1x 1.0 . 5.23 960 822 A 62 TYR HD% A 68 ILE HG1y 1.0 . 5.23 961 823 A 62 TYR HBx A 68 ILE HG1x 1.0 . 4.19 962 823 A 62 TYR HBx A 68 ILE HG1y 1.0 . 4.19 963 824 A 48 LEU HDx% A 94 TYR H 1.0 . 4.79 964 825 A 48 LEU HDx% A 76 TRP HZ2 1.0 . 5.50 965 826 A 48 LEU HDx% A 76 TRP HZ3 1.0 . 3.76 966 827 A 48 LEU HDx% A 94 TYR HBy 1.0 . 4.21 967 828 A 10 THR HG2% A 7 ASP HBy 1.0 . 5.33 968 829 A 10 THR H A 10 THR HG2% 1.0 . 4.06 969 830 A 10 THR HG2% A 7 ASP H 1.0 . 4.18 970 831 A 13 ILE H A 10 THR HG2% 1.0 . 5.06 971 832 A 10 THR HG2% A 74 ASN HD2y 1.0 . 3.99 972 833 A 10 THR HG2% A 6 LEU HA 1.0 . 4.52 973 834 A 10 THR HG2% A 74 ASN HA 1.0 . 4.93 974 835 A 10 THR HG2% A 10 THR HA 1.0 . 3.17 975 836 A 10 THR HG2% A 74 ASN HD2x 1.0 . 4.03 976 837 A 10 THR HG2% A 74 ASN HBy 1.0 . 4.32 977 838 A 10 THR HG2% A 74 ASN HBx 1.0 . 3.70 978 839 A 49 ILE H A 49 ILE HG2% 1.0 . 3.60 979 840 A 45 ARG HA A 49 ILE HG2% 1.0 . 4.72 980 841 A 94 TYR HE% A 49 ILE HG2% 1.0 . 3.72 981 842 A 49 ILE HA A 49 ILE HG2% 1.0 . 3.21 982 843 A 68 ILE HA A 68 ILE HD1% 1.0 . 3.65 983 844 A 78 PHE H A 77 ILE HG1x 1.0 . 4.00 984 844 A 77 ILE HG1y A 78 PHE H 1.0 . 4.00 985 845 A 90 LEU H A 90 LEU HDy% 1.0 . 3.89 986 846 A 76 TRP HA A 79 VAL HGx% 1.0 . 3.68 987 847 A 55 ILE HD1% A 79 VAL HGx% 1.0 . 3.65 988 848 A 77 ILE HA A 77 ILE HG1x 1.0 . 3.12 989 848 A 77 ILE HG1y A 77 ILE HA 1.0 . 3.12 990 849 A 85 PHE HBy A 90 LEU HDy% 1.0 . 3.88 991 850 A 85 PHE HBx A 90 LEU HDy% 1.0 . 3.73 992 851 A 90 LEU H A 90 LEU HDx% 1.0 . 4.76 993 852 A 41 LEU HA A 41 LEU HDy% 1.0 . 2.93 994 852 A 41 LEU HA A 41 LEU HDx% 1.0 . 2.93 995 853 A 59 LEU HDy% A 59 LEU H 1.0 . 3.51 996 854 A 90 LEU HA A 90 LEU HDx% 1.0 . 4.84 997 855 A 71 TRP HBy A 59 LEU HDy% 1.0 . 3.60 998 856 A 71 TRP HBx A 59 LEU HDy% 1.0 . 3.77 999 857 A 55 ILE HA A 59 LEU HDx% 1.0 . 4.39 1000 858 A 55 ILE HD1% A 59 LEU HDx% 1.0 . 4.17 1001 859 A 6 LEU HA A 6 LEU HDx% 1.0 . 3.17 1002 860 A 74 ASN HA A 6 LEU HDx% 1.0 . 3.32 1003 861 A 74 ASN HBy A 6 LEU HDx% 1.0 . 4.71 1004 862 A 28 LEU HDx% A 27 GLN HBx 1.0 . 2.98 1005 862 A 27 GLN HBy A 28 LEU HDx% 1.0 . 2.98 1006 863 A 14 CYS HBx A 78 PHE HE% 1.0 . 4.97 1007 864 A 28 LEU HA A 28 LEU HDx% 1.0 . 2.92 1008 865 A 28 LEU HDx% A 44 THR HA 1.0 . 4.31 1009 866 A 77 ILE H A 77 ILE HD1% 1.0 . 3.96 1010 867 A 76 TRP H A 77 ILE HD1% 1.0 . 5.50 1011 868 A 77 ILE HA A 77 ILE HD1% 1.0 . 3.85 1012 869 A 77 ILE HB A 77 ILE HD1% 1.0 . 3.36 1013 870 A 78 PHE H A 77 ILE HD1% 1.0 . 4.81 1014 871 A 74 ASN HA A 77 ILE HD1% 1.0 . 3.34 1015 872 A 3 LEU HDy% A 3 LEU HBx 1.0 . 3.40 1016 873 A 74 ASN H A 77 ILE HD1% 1.0 . 5.14 1017 874 A 50 LYS H A 49 ILE HD1% 1.0 . 5.01 1018 875 A 49 ILE HD1% A 46 GLN HA 1.0 . 3.53 1019 876 A 76 TRP HBx A 77 ILE HD1% 1.0 . 4.90 1020 877 A 46 GLN HGy A 49 ILE HD1% 1.0 . 5.50 1021 878 A 46 GLN HGx A 49 ILE HD1% 1.0 . 5.17 1022 879 A 49 ILE H A 49 ILE HD1% 1.0 . 3.74 1023 880 A 94 TYR HE% A 49 ILE HD1% 1.0 . 4.78 1024 881 A 67 GLN HBy A 68 ILE HG2% 1.0 . 5.19 1025 882 A 68 ILE H A 68 ILE HG2% 1.0 . 3.75 1026 883 A 67 GLN H A 68 ILE HG2% 1.0 . 5.18 1027 884 A 69 LYS H A 68 ILE HG2% 1.0 . 4.75 1028 885 A 62 TYR HD% A 68 ILE HG2% 1.0 . 4.99 1029 886 A 64 ASN HA A 68 ILE HG2% 1.0 . 5.43 1030 887 A 68 ILE HG2% A 63 THR HA 1.0 . 3.80 1031 888 A 68 ILE HG2% A 68 ILE HG1x 1.0 . 3.31 1032 888 A 68 ILE HG1y A 68 ILE HG2% 1.0 . 3.31 1033 889 A 62 TYR HBx A 68 ILE HG2% 1.0 . 3.97 1034 890 A 11 PHE H A 13 ILE HD1% 1.0 . 5.50 1035 891 A 14 CYS H A 13 ILE HG2% 1.0 . 4.00 1036 892 A 13 ILE H A 13 ILE HD1% 1.0 . 3.87 1037 893 A 13 ILE HG2% A 71 TRP HE3 1.0 . 5.45 1038 894 A 10 THR HA A 13 ILE HD1% 1.0 . 5.16 1039 895 A 13 ILE HG2% A 13 ILE HA 1.0 . 3.17 1040 896 A 13 ILE HG2% A 17 ARG HDy 1.0 . 4.49 1041 897 A 13 ILE HG2% A 16 GLU HGx 1.0 . 5.35 1042 897 A 13 ILE HG2% A 16 GLU HGy 1.0 . 5.35 1043 898 A 39 GLU H A 35 LEU HDy% 1.0 . 5.43 1044 898 A 35 LEU HDx% A 39 GLU H 1.0 . 5.43 1045 899 A 35 LEU HA A 35 LEU HDy% 1.0 . 2.98 1046 899 A 35 LEU HDx% A 35 LEU HA 1.0 . 2.98 1047 900 A 43 HIS HBx A 35 LEU HDy% 1.0 . 5.04 1048 900 A 35 LEU HDx% A 43 HIS HBx 1.0 . 5.04 1049 901 A 32 GLU HGx A 35 LEU HDy% 1.0 . 3.65 1050 901 A 32 GLU HGy A 35 LEU HDy% 1.0 . 3.65 1051 901 A 35 LEU HDx% A 32 GLU HGx 1.0 . 3.65 1052 901 A 35 LEU HDx% A 32 GLU HGy 1.0 . 3.65 1053 902 A 35 LEU HBy A 35 LEU HDy% 1.0 . 3.75 1054 902 A 35 LEU HBy A 35 LEU HDx% 1.0 . 3.75 1055 903 A 43 HIS H A 35 LEU HDy% 1.0 . 5.50 1056 903 A 35 LEU HDx% A 43 HIS H 1.0 . 5.50 1057 904 A 93 LEU H A 93 LEU HDy% 1.0 . 4.22 1058 905 A 51 ILE HD1% A 76 TRP HZ3 1.0 . 5.30 1059 906 A 93 LEU HDy% A 93 LEU HA 1.0 . 3.02 1060 907 A 51 ILE HD1% A 25 LEU HA 1.0 . 3.50 1061 908 A 51 ILE HD1% A 47 CYS HBx 1.0 . 3.91 1062 909 A 51 ILE HD1% A 48 LEU H 1.0 . 4.83 1063 910 A 48 LEU HA A 51 ILE HD1% 1.0 . 2.95 1064 911 A 95 LYS HA A 98 ILE HG2% 1.0 . 3.61 1065 912 A 93 LEU HDy% A 96 HIS HBx 1.0 . 4.62 1066 912 A 96 HIS HBy A 93 LEU HDy% 1.0 . 4.62 1067 913 A 51 ILE HB A 51 ILE HD1% 1.0 . 2.87 1068 914 A 98 ILE H A 98 ILE HG2% 1.0 . 3.57 1069 915 A 99 LYS H A 98 ILE HG2% 1.0 . 4.40 1070 916 A 51 ILE HD1% A 21 VAL HB 1.0 . 4.37 1071 917 A 51 ILE HD1% A 28 LEU HBx 1.0 . 3.51 1072 918 A 55 ILE HG2% A 76 TRP HE1 1.0 . 4.42 1073 919 A 52 GLY H A 21 VAL HGy% 1.0 . 5.07 1074 920 A 21 VAL HGy% A 21 VAL HA 1.0 . 3.54 1075 921 A 75 LEU HA A 55 ILE HG2% 1.0 . 4.56 1076 922 A 21 VAL HGy% A 54 HIS HBy 1.0 . 3.25 1077 923 A 21 VAL HGy% A 54 HIS HBx 1.0 . 4.30 1078 924 A 55 ILE HG2% A 59 LEU HDx% 1.0 . 3.36 1079 925 A 55 ILE HD1% A 55 ILE HG2% 1.0 . 3.35 1080 926 A 21 VAL HGy% A 54 HIS H 1.0 . 3.87 1081 927 A 55 ILE HG2% A 56 THR HA 1.0 . 3.73 1082 928 A 98 ILE HD1% A 98 ILE HA 1.0 . 3.68 1083 929 A 98 ILE HD1% A 98 ILE HB 1.0 . 3.18 1084 930 A 25 LEU H A 25 LEU HDy% 1.0 . 3.47 1085 930 A 25 LEU H A 25 LEU HDx% 1.0 . 3.47 1086 931 A 78 PHE HZ A 25 LEU HDy% 1.0 . 3.89 1087 931 A 78 PHE HZ A 25 LEU HDx% 1.0 . 3.89 1088 932 A 18 MET HA A 25 LEU HDy% 1.0 . 4.66 1089 932 A 18 MET HA A 25 LEU HDx% 1.0 . 4.66 1090 933 A 22 LYS HA A 25 LEU HDy% 1.0 . 3.30 1091 933 A 22 LYS HA A 25 LEU HDx% 1.0 . 3.30 1092 934 A 25 LEU HA A 25 LEU HDy% 1.0 . 3.12 1093 934 A 25 LEU HDx% A 25 LEU HA 1.0 . 3.12 1094 935 A 79 VAL HA A 25 LEU HDy% 1.0 . 3.27 1095 935 A 79 VAL HA A 25 LEU HDx% 1.0 . 3.27 1096 936 A 18 MET HBy A 25 LEU HDy% 1.0 . 4.81 1097 936 A 25 LEU HDx% A 18 MET HBy 1.0 . 4.81 1098 937 A 25 LEU HBy A 25 LEU HDy% 1.0 . 3.17 1099 937 A 25 LEU HBy A 25 LEU HDx% 1.0 . 3.17 1100 938 A 79 VAL HGx% A 25 LEU HDy% 1.0 . 3.04 1101 938 A 79 VAL HGx% A 25 LEU HDx% 1.0 . 3.04 1102 939 A 82 PHE H A 25 LEU HDy% 1.0 . 4.36 1103 939 A 82 PHE H A 25 LEU HDx% 1.0 . 4.36 1104 940 A 79 VAL HB A 25 LEU HDy% 1.0 . 4.78 1105 940 A 79 VAL HB A 25 LEU HDx% 1.0 . 4.78 1106 941 A 51 ILE HG2% A 76 TRP HE3 1.0 . 5.10 1107 942 A 51 ILE HG2% A 78 PHE HD% 1.0 . 5.50 1108 943 A 51 ILE HG2% A 76 TRP HZ3 1.0 . 4.20 1109 944 A 48 LEU HA A 51 ILE HG2% 1.0 . 4.43 1110 945 A 51 ILE HA A 51 ILE HG2% 1.0 . 3.36 1111 946 A 51 ILE HG2% A 79 VAL HB 1.0 . 4.71 1112 947 A 51 ILE HD1% A 51 ILE HG2% 1.0 . 3.40 1113 948 A 52 GLY H A 51 ILE HG2% 1.0 . 4.08 1114 949 A 51 ILE HG2% A 54 HIS H 1.0 . 4.83 1115 950 A 76 TRP HH2 A 51 ILE HG2% 1.0 . 4.53 1116 951 A 51 ILE HG2% A 76 TRP HA 1.0 . 5.48 1117 952 A 55 ILE HD1% A 51 ILE HG2% 1.0 . 3.47 1118 953 A 51 ILE HA A 21 VAL HGx% 1.0 . 3.63 1119 954 A 54 HIS HBy A 21 VAL HGx% 1.0 . 3.55 1120 955 A 51 ILE H A 21 VAL HGx% 1.0 . 5.50 1121 956 A 21 VAL HGx% A 21 VAL H 1.0 . 3.65 1122 957 A 21 VAL HGx% A 18 MET HA 1.0 . 5.50 1123 958 A 24 ALA HB% A 21 VAL HGx% 1.0 . 4.42 1124 959 A 94 TYR H A 93 LEU HDx% 1.0 . 4.46 1125 960 A 93 LEU HDx% A 93 LEU HBy 1.0 . 3.77 1126 961 A 93 LEU H A 93 LEU HDx% 1.0 . 4.20 1127 962 A 93 LEU HDx% A 93 LEU HA 1.0 . 4.00 1128 963 A 93 LEU HDx% A 90 LEU HA 1.0 . 3.50 1129 964 A 93 LEU HBx A 93 LEU HDx% 1.0 . 3.85 1130 965 A 55 ILE HD1% A 76 TRP HA 1.0 . 4.59 1131 966 A 55 ILE HD1% A 51 ILE HA 1.0 . 5.50 1132 967 A 71 TRP HE1 A 71 TRP HA 1.0 . 5.50 1133 968 A 71 TRP HE1 A 67 GLN HA 1.0 . 5.16 1134 969 A 55 ILE HD1% A 76 TRP HE1 1.0 . 5.24 1135 970 A 76 TRP HE1 A 72 ARG HA 1.0 . 5.50 1136 971 A 99 LYS H A 95 LYS HA 1.0 . 4.82 1137 972 A 99 LYS H A 96 HIS HBx 1.0 . 5.10 1138 972 A 96 HIS HBy A 99 LYS H 1.0 . 5.10 1139 973 A 99 LYS H A 99 LYS HGy 1.0 . 4.54 1140 974 A 99 LYS H A 99 LYS HGx 1.0 . 4.44 1141 975 A 99 LYS H A 99 LYS HEx 1.0 . 5.50 1142 975 A 99 LYS H A 99 LYS HEy 1.0 . 5.50 1143 976 A 11 PHE H A 6 LEU HA 1.0 . 5.35 1144 977 A 11 PHE H A 6 LEU HBy 1.0 . 4.97 1145 978 A 11 PHE H A 6 LEU HDx% 1.0 . 5.16 1146 979 A 13 ILE H A 13 ILE HG2% 1.0 . 4.05 1147 980 A 13 ILE H A 16 GLU H 1.0 . 5.06 1148 981 A 78 PHE H A 78 PHE HD% 1.0 . 4.22 1149 982 A 78 PHE H A 76 TRP HA 1.0 . 5.24 1150 983 A 77 ILE HB A 78 PHE H 1.0 . 3.85 1151 984 A 87 ALA HB% A 78 PHE H 1.0 . 5.50 1152 985 A 64 ASN H A 68 ILE HG2% 1.0 . 5.50 1153 986 A 78 PHE H A 76 TRP H 1.0 . 5.08 1154 987 A 33 LYS H A 35 LEU HDy% 1.0 . 5.50 1155 988 A 19 ARG H A 17 ARG H 1.0 . 5.45 1156 989 A 19 ARG H A 17 ARG HA 1.0 . 4.19 1157 990 A 19 ARG H A 20 PRO HDx 1.0 . 3.98 1158 990 A 19 ARG H A 20 PRO HDy 1.0 . 3.98 1159 991 A 19 ARG H A 20 PRO HBy 1.0 . 5.50 1160 992 A 19 ARG H A 20 PRO HBx 1.0 . 5.21 1161 993 A 33 LYS H A 34 GLY HAx 1.0 . 5.26 1162 994 A 33 LYS H A 32 GLU HGx 1.0 . 4.07 1163 994 A 32 GLU HGy A 33 LYS H 1.0 . 4.07 1164 995 A 33 LYS H A 33 LYS HBx 1.0 . 3.00 1165 995 A 33 LYS H A 33 LYS HBy 1.0 . 3.00 1166 996 A 33 LYS H A 33 LYS HGy 1.0 . 3.84 1167 997 A 64 ASN H A 67 GLN HBy 1.0 . 5.05 1168 998 A 67 GLN HBx A 64 ASN H 1.0 . 5.41 1169 999 A 21 VAL HGy% A 22 LYS H 1.0 . 4.41 1170 1000 A 37 GLU H A 37 GLU HGx 1.0 . 5.37 1171 1001 A 72 ARG H A 70 GLN HBy 1.0 . 4.83 1172 1002 A 72 ARG H A 59 LEU HBx 1.0 . 4.54 1173 1003 A 97 ALA H A 95 LYS HA 1.0 . 5.22 1174 1004 A 22 LYS H A 20 PRO HA 1.0 . 5.11 1175 1005 A 22 LYS H A 22 LYS HGx 1.0 . 3.77 1176 1005 A 22 LYS H A 22 LYS HGy 1.0 . 3.77 1177 1006 A 72 ARG H A 71 TRP HD1 1.0 . 5.19 1178 1007 A 97 ALA H A 99 LYS H 1.0 . 4.71 1179 1008 A 97 ALA H A 49 ILE HG2% 1.0 . 4.80 1180 1009 A 97 ALA H A 98 ILE HG2% 1.0 . 5.50 1181 1010 A 97 ALA H A 98 ILE HB 1.0 . 5.43 1182 1011 A 94 TYR H A 92 LYS H 1.0 . 5.50 1183 1012 A 10 THR H A 7 ASP H 1.0 . 5.50 1184 1013 A 93 LEU HBx A 94 TYR H 1.0 . 4.26 1185 1014 A 94 TYR H A 48 LEU HDy% 1.0 . 4.40 1186 1015 A 94 TYR H A 94 TYR HBx 1.0 . 3.32 1187 1016 A 94 TYR H A 93 LEU HBy 1.0 . 3.81 1188 1017 A 94 TYR H A 93 LEU HDy% 1.0 . 5.48 1189 1018 A 40 GLN HE2x A 32 GLU H 1.0 . 5.21 1190 1019 A 52 GLY H A 55 ILE H 1.0 . 5.22 1191 1020 A 77 ILE H A 78 PHE HBx 1.0 . 5.21 1192 1021 A 87 ALA H A 77 ILE HA 1.0 . 4.84 1193 1022 A 87 ALA H A 86 ASP HBx 1.0 . 3.81 1194 1023 A 87 ALA H A 90 LEU HBy 1.0 . 5.20 1195 1024 A 6 LEU H A 5 SER HBx 1.0 . 5.10 1196 1024 A 5 SER HBy A 6 LEU H 1.0 . 5.10 1197 1025 A 6 LEU HBx A 6 LEU H 1.0 . 4.03 1198 1026 A 7 ASP H A 6 LEU HDx% 1.0 . 4.13 1199 1027 A 11 PHE HD% A 6 LEU H 1.0 . 5.50 1200 1028 A 55 ILE H A 53 ASP HA 1.0 . 4.78 1201 1029 A 51 ILE HG2% A 55 ILE H 1.0 . 4.05 1202 1030 A 55 ILE H A 59 LEU HDx% 1.0 . 5.30 1203 1031 A 87 ALA H A 89 LYS H 1.0 . 5.40 1204 1032 A 89 LYS H A 90 LEU HA 1.0 . 5.50 1205 1033 A 40 GLN H A 35 LEU HDy% 1.0 . 4.62 1206 1034 A 87 ALA H A 80 SER H 1.0 . 5.50 1207 1035 A 105 GLN H A 104 SER HBx 1.0 . 4.86 1208 1035 A 105 GLN H A 104 SER HBy 1.0 . 4.86 1209 1036 A 55 ILE HB A 54 HIS H 1.0 . 5.08 1210 1037 A 55 ILE HG1y A 54 HIS H 1.0 . 5.50 1211 1038 A 105 GLN H A 105 GLN HGx 1.0 . 4.82 1212 1039 A 53 ASP HBy A 54 HIS H 1.0 . 3.29 1213 1040 A 54 HIS H A 21 VAL HGx% 1.0 . 4.70 1214 1041 A 50 LYS HA A 54 HIS H 1.0 . 5.32 1215 1042 A 57 GLU H A 57 GLU HBx 1.0 . 3.20 1216 1042 A 57 GLU H A 57 GLU HBy 1.0 . 3.20 1217 1043 A 57 GLU H A 59 LEU HDx% 1.0 . 5.25 1218 1044 A 57 GLU H A 60 LYS HDx 1.0 . 4.58 1219 1044 A 57 GLU H A 60 LYS HDy 1.0 . 4.58 1220 1045 A 28 LEU H A 27 GLN HBx 1.0 . 3.87 1221 1045 A 28 LEU H A 27 GLN HBy 1.0 . 3.87 1222 1046 A 28 LEU H A 28 LEU HBy 1.0 . 3.45 1223 1047 A 29 ASP HBx A 28 LEU H 1.0 . 5.45 1224 1048 A 101 ARG H A 99 LYS H 1.0 . 5.16 1225 1049 A 29 ASP H A 28 LEU H 1.0 . 3.81 1226 1050 A 81 LYS H A 82 PHE HA 1.0 . 5.50 1227 1051 A 79 VAL HB A 81 LYS H 1.0 . 5.37 1228 1052 A 102 GLN H A 101 ARG H 1.0 . 4.52 1229 1053 A 101 ARG H A 100 LYS HGx 1.0 . 5.50 1230 1054 A 81 LYS H A 82 PHE HD% 1.0 . 4.63 1231 1055 A 81 LYS H A 80 SER HBx 1.0 . 4.37 1232 1055 A 81 LYS H A 80 SER HBy 1.0 . 4.37 1233 1056 A 81 LYS H A 81 LYS HBx 1.0 . 3.59 1234 1057 A 81 LYS H A 81 LYS HDx 1.0 . 3.50 1235 1057 A 81 LYS H A 81 LYS HDy 1.0 . 3.50 1236 1058 A 79 VAL HGx% A 81 LYS H 1.0 . 5.36 1237 1059 A 24 ALA H A 21 VAL HB 1.0 . 4.37 1238 1060 A 43 HIS HBy A 41 LEU H 1.0 . 5.50 1239 1061 A 41 LEU H A 41 LEU HBx 1.0 . 3.21 1240 1062 A 41 LEU H A 41 LEU HDx% 1.0 . 4.02 1241 1063 A 82 PHE HBx A 81 LYS H 1.0 . 5.50 1242 1064 A 78 PHE H A 81 LYS H 1.0 . 5.50 1243 1065 A 24 ALA H A 25 LEU H 1.0 . 3.29 1244 1066 A 24 ALA H A 21 VAL HA 1.0 . 4.06 1245 1067 A 24 ALA H A 22 LYS HA 1.0 . 4.44 1246 1068 A 9 LYS H A 7 ASP HBy 1.0 . 5.06 1247 1069 A 106 GLN H A 105 GLN HGx 1.0 . 4.72 1248 1070 A 106 GLN H A 106 GLN HBx 1.0 . 4.14 1249 1071 A 93 LEU H A 91 HIS H 1.0 . 5.42 1250 1072 A 93 LEU H A 90 LEU HA 1.0 . 4.43 1251 1073 A 93 LEU H A 96 HIS HBx 1.0 . 4.94 1252 1073 A 93 LEU H A 96 HIS HBy 1.0 . 4.94 1253 1074 A 93 LEU H A 93 LEU HBy 1.0 . 3.59 1254 1075 A 93 LEU H A 92 LYS HBx 1.0 . 3.65 1255 1075 A 93 LEU H A 92 LYS HBy 1.0 . 3.65 1256 1076 A 103 GLU H A 103 GLU HGx 1.0 . 4.42 1257 1077 A 103 GLU H A 103 GLU HGy 1.0 . 3.77 1258 1078 A 103 GLU H A 103 GLU HBx 1.0 . 3.27 1259 1078 A 103 GLU H A 103 GLU HBy 1.0 . 3.27 1260 1079 A 68 ILE HA A 67 GLN H 1.0 . 5.50 1261 1080 A 67 GLN H A 64 ASN HBx 1.0 . 3.82 1262 1080 A 64 ASN HBy A 67 GLN H 1.0 . 3.82 1263 1081 A 67 GLN HGy A 67 GLN H 1.0 . 3.79 1264 1082 A 67 GLN HBx A 67 GLN H 1.0 . 3.25 1265 1083 A 67 GLN H A 68 ILE HG1x 1.0 . 5.15 1266 1083 A 68 ILE HG1y A 67 GLN H 1.0 . 5.15 1267 1084 A 67 GLN H A 68 ILE HD1% 1.0 . 5.50 1268 1085 A 35 LEU H A 33 LYS HA 1.0 . 4.38 1269 1086 A 62 TYR HBx A 67 GLN H 1.0 . 5.50 1270 1087 A 35 LEU H A 32 GLU HGx 1.0 . 4.55 1271 1087 A 32 GLU HGy A 35 LEU H 1.0 . 4.55 1272 1088 A 35 LEU HBy A 35 LEU H 1.0 . 3.97 1273 1089 A 43 HIS H A 41 LEU HBx 1.0 . 5.13 1274 1090 A 43 HIS H A 35 LEU HDy% 1.0 . 5.10 1275 1091 A 85 PHE H A 83 THR H 1.0 . 5.50 1276 1092 A 85 PHE H A 85 PHE HE% 1.0 . 5.16 1277 1093 A 85 PHE H A 90 LEU HDy% 1.0 . 4.55 1278 1094 A 35 LEU H A 33 LYS H 1.0 . 5.50 1279 1095 A 40 GLN HGy A 35 LEU H 1.0 . 5.50 1280 1096 A 43 HIS H A 40 GLN HA 1.0 . 3.95 1281 1097 A 43 HIS H A 42 GLU HBy 1.0 . 3.70 1282 1098 A 84 GLU HA A 85 PHE H 1.0 . 3.56 1283 1099 A 36 SER HA A 39 GLU H 1.0 . 5.10 1284 1100 A 48 LEU H A 44 THR HG2% 1.0 . 5.01 1285 1101 A 49 ILE H A 48 LEU HBy 1.0 . 2.87 1286 1102 A 44 THR HB A 48 LEU H 1.0 . 5.50 1287 1103 A 42 GLU H A 43 HIS HA 1.0 . 5.41 1288 1104 A 42 GLU H A 39 GLU HA 1.0 . 3.71 1289 1105 A 43 HIS HBy A 42 GLU H 1.0 . 4.88 1290 1106 A 42 GLU H A 45 ARG HDx 1.0 . 4.64 1291 1106 A 42 GLU H A 45 ARG HDy 1.0 . 4.64 1292 1107 A 42 GLU H A 42 GLU HBy 1.0 . 3.16 1293 1108 A 41 LEU HBy A 42 GLU H 1.0 . 3.78 1294 1109 A 42 GLU H A 41 LEU HDy% 1.0 . 4.57 1295 1110 A 41 LEU H A 39 GLU H 1.0 . 4.90 1296 1111 A 102 GLN H A 102 GLN HGx 1.0 . 4.33 1297 1111 A 102 GLN H A 102 GLN HGy 1.0 . 4.33 1298 1112 A 102 GLN H A 102 GLN HBx 1.0 . 3.55 1299 1113 A 40 GLN H A 42 GLU H 1.0 . 4.65 1300 1114 A 38 ARG HBy A 39 GLU H 1.0 . 4.07 1301 1115 A 38 ARG HBx A 39 GLU H 1.0 . 3.78 1302 1116 A 68 ILE H A 65 PRO HA 1.0 . 4.03 1303 1117 A 69 LYS HA A 68 ILE H 1.0 . 5.50 1304 1118 A 68 ILE H A 67 GLN HBy 1.0 . 3.93 1305 1119 A 67 GLN HBx A 68 ILE H 1.0 . 3.88 1306 1120 A 68 ILE H A 68 ILE HB 1.0 . 3.61 1307 1121 A 68 ILE H A 68 ILE HD1% 1.0 . 4.21 1308 1122 A 66 GLU H A 68 ILE H 1.0 . 4.93 1309 1123 A 68 ILE H A 64 ASN HBx 1.0 . 4.36 1310 1123 A 64 ASN HBy A 68 ILE H 1.0 . 4.36 1311 1124 A 67 GLN HGy A 68 ILE H 1.0 . 4.86 1312 1125 A 102 GLN H A 101 ARG HDy 1.0 . 5.50 1313 1126 A 84 GLU H A 84 GLU HGx 1.0 . 3.62 1314 1126 A 84 GLU H A 84 GLU HGy 1.0 . 3.62 1315 1127 A 37 GLU H A 39 GLU H 1.0 . 5.50 1316 1128 A 48 LEU HA A 51 ILE H 1.0 . 4.05 1317 1129 A 51 ILE H A 21 VAL HGy% 1.0 . 3.89 1318 1130 A 49 ILE H A 51 ILE H 1.0 . 4.75 1319 1131 A 51 ILE H A 51 ILE HG1x 1.0 . 5.47 1320 1131 A 51 ILE HG1y A 51 ILE H 1.0 . 5.47 1321 1132 A 51 ILE H A 52 GLY HAx 1.0 . 5.03 1322 1133 A 30 ARG H A 27 GLN HA 1.0 . 4.24 1323 1134 A 30 ARG H A 29 ASP HA 1.0 . 3.57 1324 1135 A 29 ASP HBx A 30 ARG H 1.0 . 3.80 1325 1136 A 71 TRP H A 67 GLN HA 1.0 . 4.53 1326 1137 A 71 TRP H A 59 LEU HDy% 1.0 . 4.33 1327 1138 A 58 CYS H A 59 LEU H 1.0 . 3.68 1328 1139 A 58 CYS H A 59 LEU HDx% 1.0 . 5.36 1329 1140 A 58 CYS H A 56 THR HB 1.0 . 5.23 1330 1141 A 54 HIS HA A 58 CYS H 1.0 . 4.95 1331 1142 A 58 CYS H A 58 CYS HBx 1.0 . 3.54 1332 1143 A 58 CYS H A 57 GLU HBx 1.0 . 3.43 1333 1143 A 58 CYS H A 57 GLU HBy 1.0 . 3.43 1334 1144 A 58 CYS H A 60 LYS HDx 1.0 . 5.22 1335 1144 A 58 CYS H A 60 LYS HDy 1.0 . 5.22 1336 1145 A 51 ILE H A 94 TYR HE% 1.0 . 5.50 1337 1146 A 75 LEU H A 71 TRP HE3 1.0 . 4.79 1338 1147 A 73 LYS H A 75 LEU H 1.0 . 4.75 1339 1148 A 75 LEU H A 72 ARG HA 1.0 . 4.74 1340 1149 A 71 TRP HBx A 75 LEU H 1.0 . 5.50 1341 1150 A 71 TRP H A 68 ILE HA 1.0 . 4.69 1342 1151 A 10 THR H A 11 PHE HBx 1.0 . 5.10 1343 1152 A 70 GLN H A 68 ILE H 1.0 . 4.77 1344 1153 A 72 ARG H A 70 GLN H 1.0 . 4.60 1345 1154 A 70 GLN H A 71 TRP HD1 1.0 . 5.42 1346 1155 A 70 GLN H A 67 GLN HA 1.0 . 3.66 1347 1156 A 68 ILE HA A 70 GLN H 1.0 . 5.50 1348 1157 A 71 TRP HBx A 70 GLN H 1.0 . 4.94 1349 1158 A 70 GLN H A 70 GLN HBx 1.0 . 2.78 1350 1159 A 50 LYS H A 51 ILE HA 1.0 . 5.31 1351 1160 A 36 SER H A 39 GLU H 1.0 . 4.65 1352 1161 A 36 SER H A 39 GLU HGx 1.0 . 3.59 1353 1161 A 36 SER H A 39 GLU HGy 1.0 . 3.59 1354 1162 A 36 SER H A 39 GLU HBx 1.0 . 4.17 1355 1162 A 36 SER H A 39 GLU HBy 1.0 . 4.17 1356 1163 A 36 SER H A 35 LEU HDy% 1.0 . 3.99 1357 1164 A 10 THR H A 9 LYS HBx 1.0 . 3.43 1358 1164 A 10 THR H A 9 LYS HBy 1.0 . 3.43 1359 1165 A 90 LEU H A 85 PHE HD% 1.0 . 5.50 1360 1166 A 50 LYS H A 49 ILE HG2% 1.0 . 4.38 1361 1167 A 50 LYS H A 50 LYS HDx 1.0 . 3.98 1362 1167 A 50 LYS H A 50 LYS HDy 1.0 . 3.98 1363 1168 A 63 THR H A 62 TYR H 1.0 . 5.03 1364 1169 A 68 ILE HA A 62 TYR H 1.0 . 4.93 1365 1170 A 90 LEU H A 93 LEU HDx% 1.0 . 5.50 1366 1171 A 47 CYS H A 44 THR HA 1.0 . 4.02 1367 1172 A 15 LYS H A 15 LYS HBx 1.0 . 3.37 1368 1172 A 15 LYS H A 15 LYS HBy 1.0 . 3.37 1369 1173 A 76 TRP H A 76 TRP HE3 1.0 . 4.79 1370 1174 A 76 TRP H A 76 TRP HE1 1.0 . 5.50 1371 1175 A 90 LEU H A 92 LYS H 1.0 . 5.14 1372 1176 A 89 LYS HA A 92 LYS H 1.0 . 4.08 1373 1177 A 59 LEU H A 62 TYR H 1.0 . 5.50 1374 1178 A 62 TYR H A 61 GLU HGx 1.0 . 4.55 1375 1178 A 62 TYR H A 61 GLU HGy 1.0 . 4.55 1376 1179 A 62 TYR H A 61 GLU H 1.0 . 3.27 1377 1180 A 62 TYR H A 60 LYS HA 1.0 . 4.02 1378 1181 A 38 ARG H A 36 SER HA 1.0 . 5.11 1379 1182 A 38 ARG H A 38 ARG HDx 1.0 . 5.07 1380 1182 A 38 ARG H A 38 ARG HDy 1.0 . 5.07 1381 1183 A 85 PHE HBx A 90 LEU H 1.0 . 5.05 1382 1184 A 93 LEU H A 92 LYS H 1.0 . 3.73 1383 1185 A 91 HIS H A 92 LYS H 1.0 . 3.98 1384 1186 A 92 LYS H A 92 LYS HBx 1.0 . 3.16 1385 1186 A 92 LYS H A 92 LYS HBy 1.0 . 3.16 1386 1187 A 100 LYS H A 98 ILE HG2% 1.0 . 5.50 1387 1188 A 14 CYS H A 15 LYS H 1.0 . 4.11 1388 1189 A 87 ALA H A 86 ASP H 1.0 . 4.94 1389 1190 A 90 LEU H A 90 LEU HBy 1.0 . 4.15 1390 1191 A 15 LYS HA A 17 ARG H 1.0 . 4.47 1391 1192 A 17 ARG H A 16 GLU HBx 1.0 . 3.38 1392 1192 A 16 GLU HBy A 17 ARG H 1.0 . 3.38 1393 1193 A 66 GLU H A 65 PRO HBx 1.0 . 4.11 1394 1194 A 66 GLU H A 66 GLU HGx 1.0 . 3.60 1395 1194 A 66 GLU H A 66 GLU HGy 1.0 . 3.60 1396 1195 A 16 GLU H A 17 ARG H 1.0 . 3.48 1397 1196 A 13 ILE HG2% A 16 GLU H 1.0 . 5.50 1398 1197 A 14 CYS H A 13 ILE HB 1.0 . 3.80 1399 1198 A 17 ARG H A 16 GLU HGx 1.0 . 4.67 1400 1198 A 16 GLU HGy A 17 ARG H 1.0 . 4.67 1401 1199 A 66 GLU H A 65 PRO HDx 1.0 . 4.55 1402 1200 A 82 PHE H A 81 LYS HDx 1.0 . 4.46 1403 1200 A 82 PHE H A 81 LYS HDy 1.0 . 4.46 1404 1201 A 82 PHE H A 81 LYS HBy 1.0 . 4.20 1405 1202 A 83 THR HA A 82 PHE H 1.0 . 5.44 1406 1203 A 82 PHE H A 25 LEU HDy% 1.0 . 5.50 1407 1204 A 96 HIS H A 98 ILE HG2% 1.0 . 5.50 1408 1205 A 58 CYS H A 60 LYS H 1.0 . 4.79 1409 1206 A 59 LEU H A 60 LYS H 1.0 . 3.52 1410 1207 A 60 LYS H A 61 GLU H 1.0 . 3.43 1411 1208 A 60 LYS H A 60 LYS HDx 1.0 . 3.08 1412 1208 A 60 LYS H A 60 LYS HDy 1.0 . 3.08 1413 1209 A 60 LYS H A 60 LYS HGx 1.0 . 3.68 1414 1209 A 60 LYS H A 60 LYS HGy 1.0 . 3.68 1415 1210 A 60 LYS H A 59 LEU HDx% 1.0 . 4.55 1416 1211 A 95 LYS H A 92 LYS HA 1.0 . 4.19 1417 1212 A 95 LYS H A 95 LYS HBx 1.0 . 3.72 1418 1212 A 95 LYS H A 95 LYS HBy 1.0 . 3.72 1419 1213 A 95 LYS H A 95 LYS HGx 1.0 . 4.13 1420 1213 A 95 LYS H A 95 LYS HGy 1.0 . 4.13 1421 1214 A 96 HIS H A 93 LEU HA 1.0 . 4.19 1422 1215 A 96 HIS H A 92 LYS HA 1.0 . 5.16 1423 1216 A 96 HIS H A 95 LYS HBx 1.0 . 3.80 1424 1216 A 96 HIS H A 95 LYS HBy 1.0 . 3.80 1425 1217 A 96 HIS H A 95 LYS HGx 1.0 . 4.87 1426 1217 A 96 HIS H A 95 LYS HGy 1.0 . 4.87 1427 1218 A 58 CYS HBy A 60 LYS H 1.0 . 5.42 1428 1219 A 44 THR H A 45 ARG HDx 1.0 . 4.11 1429 1219 A 44 THR H A 45 ARG HDy 1.0 . 4.11 1430 1220 A 44 THR H A 41 LEU HDy% 1.0 . 5.11 1431 1221 A 79 VAL H A 81 LYS H 1.0 . 4.26 1432 1222 A 79 VAL H A 78 PHE HBx 1.0 . 4.06 1433 1223 A 79 VAL H A 81 LYS HDx 1.0 . 5.35 1434 1223 A 79 VAL H A 81 LYS HDy 1.0 . 5.35 1435 1224 A 51 ILE HG2% A 79 VAL H 1.0 . 5.50 1436 1225 A 44 THR H A 40 GLN HA 1.0 . 4.69 1437 1226 A 44 THR H A 45 ARG HBx 1.0 . 5.27 1438 1226 A 44 THR H A 45 ARG HBy 1.0 . 5.27 1439 1227 A 55 ILE HD1% A 79 VAL H 1.0 . 5.50 1440 1228 A 29 ASP H A 27 GLN HA 1.0 . 5.50 1441 1229 A 29 ASP H A 28 LEU HBx 1.0 . 4.28 1442 1230 A 91 HIS H A 76 TRP HZ3 1.0 . 4.90 1443 1231 A 76 TRP HH2 A 91 HIS H 1.0 . 5.29 1444 1232 A 29 ASP H A 28 LEU HDx% 1.0 . 5.50 1445 1233 A 25 LEU H A 27 GLN H 1.0 . 4.85 1446 1234 A 25 LEU H A 27 GLN HBx 1.0 . 5.50 1447 1234 A 25 LEU H A 27 GLN HBy 1.0 . 5.50 1448 1235 A 88 ARG H A 91 HIS H 1.0 . 5.50 1449 1236 A 21 VAL HB A 25 LEU H 1.0 . 5.02 1450 1237 A 25 LEU H A 25 LEU HDx% 1.0 . 3.89 1451 1238 A 69 LYS H A 65 PRO HA 1.0 . 4.44 1452 1239 A 88 ARG H A 89 LYS H 1.0 . 3.38 1453 1240 A 88 ARG H A 86 ASP HBx 1.0 . 5.13 1454 1241 A 88 ARG H A 86 ASP HA 1.0 . 4.93 1455 1242 A 88 ARG H A 86 ASP HBy 1.0 . 4.59 1456 1243 A 55 ILE HG2% A 59 LEU H 1.0 . 5.21 1457 1244 A 91 HIS H A 90 LEU HBy 1.0 . 3.08 1458 1245 A 73 LYS H A 73 LYS HDx 1.0 . 4.47 1459 1245 A 73 LYS H A 73 LYS HDy 1.0 . 4.47 1460 1246 A 87 ALA HB% A 91 HIS H 1.0 . 4.75 1461 1247 A 73 LYS H A 59 LEU HDy% 1.0 . 5.07 1462 1248 A 73 LYS H A 76 TRP H 1.0 . 5.50 1463 1249 A 76 TRP HBx A 73 LYS H 1.0 . 5.03 1464 1250 A 48 LEU H A 46 GLN H 1.0 . 4.50 1465 1251 A 46 GLN H A 43 HIS HA 1.0 . 4.09 1466 1252 A 47 CYS HBy A 46 GLN H 1.0 . 4.93 1467 1253 A 46 GLN H A 45 ARG HDx 1.0 . 4.90 1468 1253 A 46 GLN H A 45 ARG HDy 1.0 . 4.90 1469 1254 A 46 GLN H A 44 THR HG2% 1.0 . 5.50 1470 1255 A 46 GLN H A 42 GLU HA 1.0 . 4.31 1471 1256 A 46 GLN H A 45 ARG HGx 1.0 . 4.91 1472 1257 A 76 TRP HBx A 74 ASN H 1.0 . 5.50 1473 1258 A 74 ASN H A 71 TRP HA 1.0 . 3.69 1474 1259 A 74 ASN H A 74 ASN HBy 1.0 . 3.70 1475 1260 A 71 TRP HBy A 74 ASN H 1.0 . 5.23 1476 1261 A 74 ASN H A 76 TRP H 1.0 . 5.41 1477 1262 A 26 LYS H A 26 LYS HBx 1.0 . 3.39 1478 1263 A 25 LEU HBy A 26 LYS H 1.0 . 3.68 1479 1264 A 26 LYS H A 25 LEU HDy% 1.0 . 4.69 1480 1265 A 25 LEU HBx A 26 LYS H 1.0 . 4.20 1481 1266 A 24 ALA H A 26 LYS H 1.0 . 5.08 1482 1267 A 26 LYS H A 27 GLN HBx 1.0 . 4.77 1483 1267 A 26 LYS H A 27 GLN HBy 1.0 . 4.77 1484 1268 A 29 ASP H A 26 LYS H 1.0 . 5.50 1485 1269 A 29 ASP H A 27 GLN H 1.0 . 5.27 1486 1270 A 27 GLN H A 26 LYS HA 1.0 . 3.49 1487 1271 A 24 ALA HB% A 27 GLN H 1.0 . 5.08 1488 1272 A 27 GLN H A 28 LEU HDx% 1.0 . 5.50 1489 1273 A 27 GLN H A 25 LEU HA 1.0 . 5.09 1490 1274 A 55 ILE HG1y A 56 THR H 1.0 . 5.19 1491 1275 A 55 ILE H A 56 THR H 1.0 . 4.11 1492 1276 A 56 THR H A 57 GLU HGy 1.0 . 5.35 1493 1277 A 56 THR H A 57 GLU HBx 1.0 . 5.50 1494 1277 A 56 THR H A 57 GLU HBy 1.0 . 5.50 1495 1278 A 104 SER H A 104 SER HBx 1.0 . 3.84 1496 1278 A 104 SER H A 104 SER HBy 1.0 . 3.84 1497 1279 A 104 SER H A 103 GLU HBx 1.0 . 4.20 1498 1279 A 104 SER H A 103 GLU HBy 1.0 . 4.20 1499 1280 A 61 GLU H A 62 TYR HE% 1.0 . 5.44 1500 1281 A 64 ASN HD2x A 66 GLU HBx 1.0 . 5.41 1501 1281 A 64 ASN HD2x A 66 GLU HBy 1.0 . 5.41 1502 1282 A 79 VAL HB A 80 SER H 1.0 . 4.04 1503 1283 A 79 VAL HGx% A 80 SER H 1.0 . 3.87 1504 1284 A 64 ASN HD2x A 65 PRO HDx 1.0 . 5.50 1505 1285 A 80 SER H A 80 SER HBx 1.0 . 3.73 1506 1285 A 80 SER H A 80 SER HBy 1.0 . 3.73 1507 1286 A 87 ALA HB% A 80 SER H 1.0 . 4.90 1508 1287 A 12 SER H A 13 ILE HA 1.0 . 5.41 1509 1288 A 12 SER H A 11 PHE HD% 1.0 . 4.20 1510 1289 A 12 SER H A 12 SER HA 1.0 . 2.85 1511 1290 A 12 SER H A 11 PHE HBy 1.0 . 3.52 1512 1291 A 12 SER H A 11 PHE HBx 1.0 . 3.68 1513 1292 A 12 SER H A 13 ILE HB 1.0 . 4.83 1514 1293 A 18 MET H A 17 ARG H 1.0 . 3.82 1515 1294 A 18 MET H A 25 LEU HDx% 1.0 . 5.20 1516 1295 A 18 MET H A 19 ARG H 1.0 . 3.73 1517 1296 A 18 MET H A 15 LYS HA 1.0 . 4.58 1518 1297 A 18 MET H A 78 PHE HE% 1.0 . 5.50 1519 1298 A 67 GLN HE2y A 67 GLN HA 1.0 . 5.50 1520 1299 A 74 ASN HBy A 70 GLN HE2y 1.0 . 5.50 1521 1300 A 74 ASN H A 70 GLN HE2y 1.0 . 5.50 1522 1301 A 70 GLN HA A 70 GLN HE2x 1.0 . 5.50 1523 1302 A 33 LYS HA A 40 GLN HE2y 1.0 . 5.22 1524 1303 A 40 GLN HE2y A 40 GLN HA 1.0 . 4.90 1525 1304 A 35 LEU HBy A 40 GLN HE2y 1.0 . 5.27 1526 1305 A 40 GLN HE2y A 35 LEU HDy% 1.0 . 5.50 1527 1306 A 35 LEU HBx A 40 GLN HE2y 1.0 . 5.50 1528 1307 A 40 GLN HE2x A 33 LYS HA 1.0 . 5.34 1529 1308 A 40 GLN HE2x A 40 GLN HA 1.0 . 5.03 1530 1309 A 98 ILE H A 99 LYS HBx 1.0 . 4.59 1531 1309 A 99 LYS HBy A 98 ILE H 1.0 . 4.59 1532 1310 A 98 ILE H A 96 HIS HBx 1.0 . 5.20 1533 1310 A 96 HIS HBy A 98 ILE H 1.0 . 5.20 1534 1311 A 98 ILE H A 49 ILE HG2% 1.0 . 3.62 1535 1312 A 27 GLN HE2y A 27 GLN HBx 1.0 . 5.47 1536 1312 A 27 GLN HBy A 27 GLN HE2y 1.0 . 5.47 1537 1313 A 23 ALA HB% A 27 GLN HE2y 1.0 . 5.34 1538 1314 A 82 PHE HBy A 83 THR H 1.0 . 4.51 1539 1315 A 84 GLU H A 83 THR H 1.0 . 4.56 1540 1316 A 82 PHE H A 83 THR H 1.0 . 3.50 1541 1317 A 83 THR H A 83 THR HB 1.0 . 3.62 1542 1318 A 83 THR H A 81 LYS HA 1.0 . 4.48 1543 1319 A 82 PHE HBx A 83 THR H 1.0 . 4.66 1544 1320 A 83 THR H A 90 LEU HDy% 1.0 . 5.50 1545 1321 A 34 GLY H A 33 LYS HBx 1.0 . 4.67 1546 1321 A 34 GLY H A 33 LYS HBy 1.0 . 4.67 1547 1322 A 34 GLY H A 33 LYS H 1.0 . 5.46 1548 1323 A 35 LEU HBx A 34 GLY H 1.0 . 5.50 1549 1324 A 52 GLY H A 53 ASP HA 1.0 . 5.50 1550 1325 A 52 GLY H A 49 ILE HA 1.0 . 5.00 1551 1326 A 52 GLY H A 55 ILE HB 1.0 . 5.29 1552 1327 A 21 VAL H A 20 PRO HDx 1.0 . 4.58 1553 1327 A 21 VAL H A 20 PRO HDy 1.0 . 4.58 1554 1328 A 21 VAL H A 18 MET HE% 1.0 . 4.87 1555 1329 A 71 TRP HA A 74 ASN HD2x 1.0 . 5.25 1556 1330 A 74 ASN H A 74 ASN HD2x 1.0 . 5.50 1557 1331 A 21 VAL H A 20 PRO HBx 1.0 . 4.60 1558 1332 A 21 VAL H A 19 ARG HA 1.0 . 4.58 1559 1333 A 74 ASN HD2y A 6 LEU HDx% 1.0 . 5.50 1560 1334 A 70 GLN HGy A 74 ASN HD2x 1.0 . 5.50 1561 1335 A 74 ASN HD2x A 6 LEU HDx% 1.0 . 5.50 stop_ save_