data_nef_c34067_5mf9 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 34068 PDB 5MF9 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 ALA middle . . 3 A 3 MET middle . . 4 A 4 GLY middle . false 5 A 5 THR middle . . 6 A 6 LYS middle . . 7 A 7 TYR middle . . 8 A 8 ALA middle . . 9 A 9 VAL middle . . 10 A 10 PRO middle . false 11 A 11 ASP middle . . 12 A 12 THR middle . . 13 A 13 SER middle . . 14 A 14 THR middle . . 15 A 15 TYR middle . . 16 A 16 GLN middle . . 17 A 17 TYR middle . . 18 A 18 ASP middle . . 19 A 19 GLU middle . . 20 A 20 SER middle . . 21 A 21 SER middle . . 22 A 22 GLY middle . false 23 A 23 TYR middle . . 24 A 24 TYR middle . . 25 A 25 TYR middle . . 26 A 26 ASP middle . . 27 A 27 PRO middle . false 28 A 28 THR middle . . 29 A 29 THR middle . . 30 A 30 GLY middle . false 31 A 31 LEU middle . . 32 A 32 TYR middle . . 33 A 33 TYR middle . . 34 A 34 ASP middle . . 35 A 35 PRO middle . false 36 A 36 ASN middle . . 37 A 37 SER middle . . 38 A 38 GLN middle . . 39 A 39 TYR middle . . 40 A 40 TYR middle . . 41 A 41 TYR middle . . 42 A 42 ASN middle . . 43 A 43 SER middle . . 44 A 44 LEU middle . . 45 A 45 THR middle . . 46 A 46 GLN middle . . 47 A 47 GLN middle . . 48 A 48 TYR middle . . 49 A 49 LEU middle . . 50 A 50 TYR middle . . 51 A 51 TRP middle . . 52 A 52 ASP middle . . 53 A 53 GLY middle . false 54 A 54 GLU middle . . 55 A 55 LYS middle . . 56 A 56 GLU middle . . 57 A 57 THR middle . . 58 A 58 TYR middle . . 59 A 59 VAL middle . . 60 A 60 PRO middle . false 61 A 61 ALA middle . . 62 A 62 ALA middle . . 63 A 63 GLU middle . . 64 A 64 SER end . . 65 B 100 GLY start . false 66 B 101 MET middle . . 67 B 102 ARG middle . . 68 B 103 PRO middle . false 69 B 104 PRO middle . false 70 B 105 PRO middle . false 71 B 106 PRO middle . false 72 B 107 GLY middle . false 73 B 108 ILE middle . . 74 B 109 ARG middle . . 75 B 110 GLY end . false stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ALA HA H 1 4.314 . A 2 ALA HB% H 1 1.309 . A 2 ALA CA C 13 52.424 . A 2 ALA CB C 13 19.545 . A 3 MET H H 1 8.654 . A 3 MET HA H 1 4.461 . A 3 MET HBx H 1 2.066 . A 3 MET HE% H 1 1.752 . A 3 MET HGx H 1 2.500 . A 3 MET C C 13 176.792 . A 3 MET CA C 13 55.522 . A 3 MET CB C 13 32.700 . A 3 MET CE C 13 17.000 . A 3 MET CG C 13 32.000 . A 3 MET N N 15 119.798 . A 4 GLY H H 1 8.539 . A 4 GLY HAy H 1 3.963 . A 4 GLY HAx H 1 3.635 . A 4 GLY C C 13 174.170 . A 4 GLY CA C 13 45.291 . A 4 GLY N N 15 110.287 . A 5 THR H H 1 8.143 . A 5 THR HA H 1 4.220 . A 5 THR HB H 1 4.063 . A 5 THR HG2% H 1 1.033 . A 5 THR C C 13 174.087 . A 5 THR CA C 13 61.831 . A 5 THR CB C 13 69.852 . A 5 THR CG2 C 13 21.530 . A 5 THR N N 15 114.600 . A 6 LYS H H 1 8.359 . A 6 LYS HA H 1 4.377 . A 6 LYS HBy H 1 1.651 . A 6 LYS HBx H 1 1.632 . A 6 LYS HDy H 1 1.247 . A 6 LYS HDx H 1 1.223 . A 6 LYS HEx H 1 2.894 . A 6 LYS HGy H 1 1.601 . A 6 LYS HGx H 1 1.583 . A 6 LYS C C 13 175.838 . A 6 LYS CA C 13 56.082 . A 6 LYS CB C 13 33.508 . A 6 LYS CD C 13 24.699 . A 6 LYS CE C 13 41.806 . A 6 LYS CG C 13 29.024 . A 6 LYS N N 15 124.034 . A 7 TYR H H 1 8.438 . A 7 TYR HA H 1 4.613 . A 7 TYR HBy H 1 3.236 . A 7 TYR HBx H 1 2.845 . A 7 TYR HDy H 1 7.239 . A 7 TYR HDx H 1 7.232 . A 7 TYR HEx H 1 6.814 . A 7 TYR C C 13 175.180 . A 7 TYR CA C 13 57.319 . A 7 TYR CB C 13 40.364 . A 7 TYR CDx C 13 133.359 . A 7 TYR CEx C 13 117.954 . A 7 TYR N N 15 121.547 . A 8 ALA H H 1 8.383 . A 8 ALA HA H 1 4.315 . A 8 ALA HB% H 1 1.306 . A 8 ALA C C 13 176.477 . A 8 ALA CA C 13 51.534 . A 8 ALA CB C 13 19.310 . A 8 ALA N N 15 124.880 . A 9 VAL H H 1 8.036 . A 9 VAL HA H 1 3.799 . A 9 VAL HB H 1 1.864 . A 9 VAL HGx% H 1 0.960 . A 9 VAL HGy% H 1 0.888 . A 9 VAL CA C 13 59.888 . A 9 VAL CB C 13 32.333 . A 9 VAL CG1 C 13 20.781 . A 9 VAL CG2 C 13 20.948 . A 9 VAL N N 15 119.735 . A 10 PRO HA H 1 3.868 . A 10 PRO HBy H 1 1.805 . A 10 PRO HBx H 1 1.310 . A 10 PRO HDy H 1 2.461 . A 10 PRO HDx H 1 2.100 . A 10 PRO HGy H 1 1.137 . A 10 PRO HGx H 1 1.014 . A 10 PRO C C 13 176.049 . A 10 PRO CA C 13 62.999 . A 10 PRO CB C 13 32.249 . A 10 PRO CD C 13 49.850 . A 10 PRO CG C 13 26.568 . A 11 ASP H H 1 8.253 . A 11 ASP HA H 1 4.548 . A 11 ASP HBy H 1 2.665 . A 11 ASP HBx H 1 2.436 . A 11 ASP C C 13 176.912 . A 11 ASP CA C 13 52.531 . A 11 ASP CB C 13 40.615 . A 11 ASP N N 15 120.769 . A 12 THR H H 1 8.219 . A 12 THR HA H 1 2.470 . A 12 THR HB H 1 3.617 . A 12 THR HG2% H 1 0.590 . A 12 THR C C 13 176.412 . A 12 THR CA C 13 62.233 . A 12 THR CB C 13 68.189 . A 12 THR CG2 C 13 20.686 . A 12 THR N N 15 115.094 . A 13 SER H H 1 8.339 . A 13 SER HA H 1 4.131 . A 13 SER HBx H 1 3.863 . A 13 SER HBy H 1 3.896 . A 13 SER C C 13 175.578 . A 13 SER CA C 13 60.984 . A 13 SER CB C 13 62.920 . A 13 SER N N 15 118.749 . A 14 THR H H 1 7.536 . A 14 THR HA H 1 4.399 . A 14 THR HB H 1 4.450 . A 14 THR HG2% H 1 1.108 . A 14 THR CA C 13 61.607 . A 14 THR CB C 13 69.735 . A 14 THR CG2 C 13 21.515 . A 14 THR N N 15 110.557 . A 15 TYR H H 1 7.458 . A 15 TYR HA H 1 4.970 . A 15 TYR HBx H 1 3.209 . A 15 TYR HBy H 1 3.214 . A 15 TYR HDx H 1 6.818 . A 15 TYR HEx H 1 6.230 . A 15 TYR C C 13 176.310 . A 15 TYR CA C 13 55.260 . A 15 TYR CB C 13 37.518 . A 15 TYR CDx C 13 130.438 . A 15 TYR CEx C 13 118.616 . A 15 TYR N N 15 121.224 . A 16 GLN H H 1 9.435 . A 16 GLN HA H 1 4.886 . A 16 GLN HBy H 1 2.237 . A 16 GLN HBx H 1 2.230 . A 16 GLN HE2x H 1 7.026 . A 16 GLN HE2y H 1 7.751 . A 16 GLN HGx H 1 2.559 . A 16 GLN C C 13 175.921 . A 16 GLN CA C 13 54.264 . A 16 GLN CB C 13 31.010 . A 16 GLN CD C 13 180.187 . A 16 GLN CG C 13 33.554 . A 16 GLN N N 15 120.264 . A 16 GLN NE2 N 15 111.573 . A 17 TYR H H 1 9.480 . A 17 TYR HA H 1 3.943 . A 17 TYR HBy H 1 2.782 . A 17 TYR HBx H 1 2.744 . A 17 TYR HDx H 1 6.195 . A 17 TYR HDy H 1 6.197 . A 17 TYR HEx H 1 6.507 . A 17 TYR C C 13 174.151 . A 17 TYR CA C 13 59.160 . A 17 TYR CB C 13 38.748 . A 17 TYR CDx C 13 132.349 . A 17 TYR CEx C 13 117.602 . A 17 TYR N N 15 126.828 . A 18 ASP H H 1 8.197 . A 18 ASP HA H 1 4.734 . A 18 ASP HBy H 1 2.969 . A 18 ASP HBx H 1 2.352 . A 18 ASP C C 13 174.096 . A 18 ASP CA C 13 52.283 . A 18 ASP CB C 13 41.849 . A 18 ASP N N 15 129.093 . A 19 GLU H H 1 8.768 . A 19 GLU HA H 1 3.617 . A 19 GLU HBy H 1 2.004 . A 19 GLU HBx H 1 1.999 . A 19 GLU HGx H 1 2.319 . A 19 GLU C C 13 177.941 . A 19 GLU CA C 13 58.639 . A 19 GLU CB C 13 29.431 . A 19 GLU CG C 13 36.051 . A 19 GLU N N 15 125.322 . A 20 SER H H 1 8.207 . A 20 SER HA H 1 4.143 . A 20 SER HBy H 1 3.872 . A 20 SER HBx H 1 3.837 . A 20 SER C C 13 175.032 . A 20 SER CA C 13 61.028 . A 20 SER CB C 13 62.874 . A 20 SER N N 15 112.748 . A 21 SER H H 1 7.456 . A 21 SER HA H 1 4.315 . A 21 SER HBy H 1 3.501 . A 21 SER HBx H 1 3.485 . A 21 SER C C 13 175.615 . A 21 SER CA C 13 58.808 . A 21 SER CB C 13 65.422 . A 21 SER N N 15 113.278 . A 22 GLY H H 1 8.388 . A 22 GLY HAy H 1 4.056 . A 22 GLY HAx H 1 3.671 . A 22 GLY C C 13 173.392 . A 22 GLY CA C 13 45.290 . A 22 GLY N N 15 111.647 . A 23 TYR H H 1 8.006 . A 23 TYR HA H 1 5.155 . A 23 TYR HBy H 1 3.452 . A 23 TYR HBx H 1 3.100 . A 23 TYR HDx H 1 6.941 . A 23 TYR HEx H 1 6.559 . A 23 TYR C C 13 175.050 . A 23 TYR CA C 13 55.587 . A 23 TYR CB C 13 40.225 . A 23 TYR CDx C 13 131.681 . A 23 TYR CEx C 13 117.753 . A 23 TYR N N 15 118.416 . A 24 TYR H H 1 9.365 . A 24 TYR HA H 1 5.257 . A 24 TYR HBy H 1 3.352 . A 24 TYR HBx H 1 3.145 . A 24 TYR HDy H 1 7.238 . A 24 TYR HDx H 1 7.234 . A 24 TYR HEx H 1 6.980 . A 24 TYR C C 13 175.356 . A 24 TYR CA C 13 57.728 . A 24 TYR CB C 13 41.329 . A 24 TYR CDx C 13 132.518 . A 24 TYR CEx C 13 118.581 . A 24 TYR N N 15 116.532 . A 25 TYR H H 1 9.750 . A 25 TYR HA H 1 4.635 . A 25 TYR HBx H 1 2.699 . A 25 TYR HDx H 1 6.058 . A 25 TYR HDy H 1 6.086 . A 25 TYR HEx H 1 6.377 . A 25 TYR C C 13 173.142 . A 25 TYR CA C 13 56.943 . A 25 TYR CB C 13 41.575 . A 25 TYR CDx C 13 132.534 . A 25 TYR CEx C 13 117.309 . A 25 TYR N N 15 122.990 . A 26 ASP H H 1 7.961 . A 26 ASP HA H 1 4.649 . A 26 ASP HBy H 1 2.496 . A 26 ASP HBx H 1 2.082 . A 26 ASP CA C 13 48.964 . A 26 ASP CB C 13 41.534 . A 26 ASP N N 15 126.636 . A 27 PRO HA H 1 3.940 . A 27 PRO HBy H 1 2.379 . A 27 PRO HBx H 1 2.008 . A 27 PRO HDx H 1 4.025 . A 27 PRO HDy H 1 4.146 . A 27 PRO HGx H 1 2.072 . A 27 PRO C C 13 178.209 . A 27 PRO CA C 13 63.714 . A 27 PRO CB C 13 32.454 . A 27 PRO CD C 13 51.067 . A 27 PRO CG C 13 27.079 . A 28 THR H H 1 8.133 . A 28 THR HA H 1 4.057 . A 28 THR HB H 1 4.246 . A 28 THR HG2% H 1 1.212 . A 28 THR C C 13 175.828 . A 28 THR CA C 13 64.754 . A 28 THR CB C 13 68.415 . A 28 THR CG2 C 13 21.976 . A 28 THR N N 15 111.498 . A 29 THR H H 1 6.754 . A 29 THR HA H 1 4.244 . A 29 THR HB H 1 3.807 . A 29 THR HG2% H 1 1.031 . A 29 THR C C 13 176.310 . A 29 THR CA C 13 61.610 . A 29 THR CB C 13 71.250 . A 29 THR CG2 C 13 21.018 . A 29 THR N N 15 108.360 . A 30 GLY H H 1 8.455 . A 30 GLY HAy H 1 4.006 . A 30 GLY HAx H 1 3.529 . A 30 GLY C C 13 173.457 . A 30 GLY CA C 13 44.903 . A 30 GLY N N 15 111.359 . A 31 LEU H H 1 7.545 . A 31 LEU HA H 1 4.548 . A 31 LEU HBy H 1 1.684 . A 31 LEU HBx H 1 1.406 . A 31 LEU HDx% H 1 0.588 . A 31 LEU HDy% H 1 -0.079 . A 31 LEU HG H 1 1.172 . A 31 LEU C C 13 175.384 . A 31 LEU CA C 13 53.908 . A 31 LEU CB C 13 44.129 . A 31 LEU CD1 C 13 22.874 . A 31 LEU CD2 C 13 23.732 . A 31 LEU CG C 13 26.723 . A 31 LEU N N 15 119.267 . A 32 TYR H H 1 8.758 . A 32 TYR HA H 1 5.490 . A 32 TYR HBy H 1 3.103 . A 32 TYR HBx H 1 3.060 . A 32 TYR HDx H 1 7.278 . A 32 TYR HEx H 1 6.792 . A 32 TYR C C 13 175.810 . A 32 TYR CA C 13 57.189 . A 32 TYR CB C 13 41.325 . A 32 TYR CDx C 13 133.137 . A 32 TYR CEx C 13 118.173 . A 32 TYR N N 15 116.497 . A 33 TYR H H 1 9.865 . A 33 TYR HA H 1 4.873 . A 33 TYR HBy H 1 2.667 . A 33 TYR HBx H 1 2.465 . A 33 TYR HDx H 1 5.964 . A 33 TYR HEx H 1 6.367 . A 33 TYR C C 13 173.337 . A 33 TYR CA C 13 56.938 . A 33 TYR CB C 13 42.441 . A 33 TYR CDx C 13 132.502 . A 33 TYR CEx C 13 117.140 . A 33 TYR N N 15 121.602 . A 34 ASP H H 1 8.136 . A 34 ASP HA H 1 4.953 . A 34 ASP HBy H 1 2.790 . A 34 ASP HBx H 1 2.030 . A 34 ASP CA C 13 49.123 . A 34 ASP CB C 13 42.432 . A 34 ASP N N 15 127.424 . A 35 PRO HA H 1 3.943 . A 35 PRO HBy H 1 2.288 . A 35 PRO HBx H 1 2.069 . A 35 PRO HDy H 1 4.315 . A 35 PRO HDx H 1 4.077 . A 35 PRO HGx H 1 2.112 . A 35 PRO C C 13 177.302 . A 35 PRO CA C 13 63.727 . A 35 PRO CB C 13 32.329 . A 35 PRO CD C 13 51.201 . A 35 PRO CG C 13 27.267 . A 36 ASN H H 1 8.105 . A 36 ASN HA H 1 4.515 . A 36 ASN HBy H 1 2.999 . A 36 ASN HBx H 1 2.808 . A 36 ASN HD2x H 1 7.241 . A 36 ASN HD2y H 1 8.116 . A 36 ASN C C 13 175.504 . A 36 ASN CA C 13 55.695 . A 36 ASN CB C 13 38.516 . A 36 ASN N N 15 115.897 . A 36 ASN ND2 N 15 115.450 . A 37 SER H H 1 7.403 . A 37 SER HA H 1 4.198 . A 37 SER HBy H 1 3.699 . A 37 SER HBx H 1 3.674 . A 37 SER C C 13 174.550 . A 37 SER CA C 13 59.173 . A 37 SER CB C 13 64.350 . A 37 SER N N 15 112.833 . A 38 GLN H H 1 8.180 . A 38 GLN HA H 1 3.667 . A 38 GLN HBx H 1 2.437 . A 38 GLN HBy H 1 2.467 . A 38 GLN HE2x H 1 6.866 . A 38 GLN HE2y H 1 7.549 . A 38 GLN HGy H 1 2.240 . A 38 GLN HGx H 1 2.106 . A 38 GLN C C 13 174.235 . A 38 GLN CA C 13 57.972 . A 38 GLN CB C 13 25.694 . A 38 GLN CD C 13 181.474 . A 38 GLN CG C 13 34.546 . A 38 GLN N N 15 114.370 . A 38 GLN NE2 N 15 111.988 . A 39 TYR H H 1 7.648 . A 39 TYR HA H 1 5.331 . A 39 TYR HBy H 1 3.576 . A 39 TYR HBx H 1 3.041 . A 39 TYR HDx H 1 7.214 . A 39 TYR HEx H 1 6.741 . A 39 TYR C C 13 175.745 . A 39 TYR CA C 13 57.333 . A 39 TYR CB C 13 40.479 . A 39 TYR CDx C 13 132.709 . A 39 TYR CEx C 13 117.562 . A 39 TYR N N 15 115.513 . A 40 TYR H H 1 9.784 . A 40 TYR HA H 1 5.648 . A 40 TYR HBx H 1 2.897 . A 40 TYR HBy H 1 2.942 . A 40 TYR HDx H 1 7.240 . A 40 TYR HEx H 1 6.876 . A 40 TYR C C 13 175.801 . A 40 TYR CA C 13 57.072 . A 40 TYR CB C 13 41.587 . A 40 TYR CDx C 13 133.371 . A 40 TYR CEx C 13 117.980 . A 40 TYR N N 15 118.357 . A 41 TYR H H 1 9.623 . A 41 TYR HA H 1 5.058 . A 41 TYR HBy H 1 2.669 . A 41 TYR HBx H 1 2.469 . A 41 TYR HDx H 1 5.834 . A 41 TYR HDy H 1 5.899 . A 41 TYR HEx H 1 6.139 . A 41 TYR C C 13 173.617 . A 41 TYR CA C 13 56.721 . A 41 TYR CB C 13 42.205 . A 41 TYR CDx C 13 132.505 . A 41 TYR CEx C 13 116.693 . A 41 TYR N N 15 121.526 . A 42 ASN H H 1 8.247 . A 42 ASN HA H 1 4.824 . A 42 ASN HBy H 1 3.063 . A 42 ASN HBx H 1 2.036 . A 42 ASN HD2x H 1 7.256 . A 42 ASN HD2y H 1 7.318 . A 42 ASN C C 13 175.180 . A 42 ASN CA C 13 50.904 . A 42 ASN CB C 13 39.141 . A 42 ASN CG C 13 177.496 . A 42 ASN N N 15 125.860 . A 42 ASN ND2 N 15 113.477 . A 43 SER H H 1 9.110 . A 43 SER HA H 1 3.806 . A 43 SER HBy H 1 4.075 . A 43 SER HBx H 1 3.828 . A 43 SER C C 13 175.180 . A 43 SER CA C 13 60.169 . A 43 SER CB C 13 63.583 . A 43 SER N N 15 119.635 . A 44 LEU H H 1 8.312 . A 44 LEU HA H 1 4.295 . A 44 LEU HBy H 1 1.832 . A 44 LEU HBx H 1 1.635 . A 44 LEU HDx% H 1 0.899 . A 44 LEU HDy% H 1 0.854 . A 44 LEU HG H 1 1.613 . A 44 LEU C C 13 178.821 . A 44 LEU CA C 13 57.012 . A 44 LEU CB C 13 41.721 . A 44 LEU CD1 C 13 24.448 . A 44 LEU CD2 C 13 23.788 . A 44 LEU CG C 13 27.311 . A 44 LEU N N 15 122.318 . A 45 THR H H 1 7.183 . A 45 THR HA H 1 4.159 . A 45 THR HB H 1 4.191 . A 45 THR HG2% H 1 0.998 . A 45 THR C C 13 175.300 . A 45 THR CA C 13 60.894 . A 45 THR CB C 13 69.172 . A 45 THR CG2 C 13 21.680 . A 45 THR N N 15 107.043 . A 46 GLN H H 1 7.998 . A 46 GLN HA H 1 3.552 . A 46 GLN HBy H 1 2.354 . A 46 GLN HBx H 1 2.193 . A 46 GLN HE2x H 1 6.821 . A 46 GLN HE2y H 1 7.511 . A 46 GLN HGy H 1 2.189 . A 46 GLN HGx H 1 2.084 . A 46 GLN C C 13 174.207 . A 46 GLN CA C 13 56.969 . A 46 GLN CB C 13 25.554 . A 46 GLN CG C 13 34.316 . A 46 GLN N N 15 116.860 . A 46 GLN NE2 N 15 112.025 . A 47 GLN H H 1 7.040 . A 47 GLN HA H 1 4.628 . A 47 GLN HBy H 1 1.901 . A 47 GLN HBx H 1 1.627 . A 47 GLN HE2x H 1 7.093 . A 47 GLN HE2y H 1 7.888 . A 47 GLN HGx H 1 2.274 . A 47 GLN C C 13 174.380 . A 47 GLN CA C 13 54.400 . A 47 GLN CB C 13 32.985 . A 47 GLN CD C 13 181.029 . A 47 GLN CG C 13 33.976 . A 47 GLN N N 15 115.821 . A 47 GLN NE2 N 15 113.295 . A 48 TYR H H 1 8.870 . A 48 TYR HA H 1 5.582 . A 48 TYR HBy H 1 2.758 . A 48 TYR HBx H 1 2.724 . A 48 TYR HDy H 1 7.237 . A 48 TYR HDx H 1 7.182 . A 48 TYR HEx H 1 6.646 . A 48 TYR C C 13 176.597 . A 48 TYR CA C 13 57.959 . A 48 TYR CB C 13 39.863 . A 48 TYR CDx C 13 133.569 . A 48 TYR CEx C 13 117.955 . A 48 TYR N N 15 120.880 . A 49 LEU H H 1 9.699 . A 49 LEU HA H 1 5.477 . A 49 LEU HBy H 1 1.592 . A 49 LEU HBx H 1 1.472 . A 49 LEU HDx% H 1 0.634 . A 49 LEU HDy% H 1 0.680 . A 49 LEU HG H 1 1.464 . A 49 LEU C C 13 175.189 . A 49 LEU CA C 13 54.165 . A 49 LEU CB C 13 47.863 . A 49 LEU CD1 C 13 24.627 . A 49 LEU CD2 C 13 27.166 . A 49 LEU CG C 13 27.182 . A 49 LEU N N 15 122.078 . A 50 TYR H H 1 9.485 . A 50 TYR HA H 1 5.741 . A 50 TYR HBy H 1 3.301 . A 50 TYR HBx H 1 3.056 . A 50 TYR HDx H 1 6.998 . A 50 TYR HEx H 1 6.766 . A 50 TYR C C 13 174.235 . A 50 TYR CA C 13 55.576 . A 50 TYR CB C 13 41.712 . A 50 TYR CDx C 13 133.588 . A 50 TYR CEx C 13 117.896 . A 50 TYR N N 15 117.688 . A 51 TRP H H 1 9.350 . A 51 TRP HA H 1 4.353 . A 51 TRP HBy H 1 3.208 . A 51 TRP HBx H 1 2.852 . A 51 TRP HD1 H 1 6.911 . A 51 TRP HE1 H 1 10.215 . A 51 TRP HE3 H 1 5.364 . A 51 TRP HH2 H 1 6.686 . A 51 TRP HZ2 H 1 7.125 . A 51 TRP HZ3 H 1 6.134 . A 51 TRP C C 13 174.064 . A 51 TRP CA C 13 56.851 . A 51 TRP CB C 13 29.997 . A 51 TRP CD1 C 13 126.626 . A 51 TRP CE3 C 13 121.127 . A 51 TRP CH2 C 13 123.881 . A 51 TRP CZ2 C 13 112.522 . A 51 TRP CZ3 C 13 121.135 . A 51 TRP N N 15 122.362 . A 51 TRP NE1 N 15 127.845 . A 52 ASP H H 1 7.994 . A 52 ASP HA H 1 4.570 . A 52 ASP HBy H 1 2.529 . A 52 ASP HBx H 1 2.126 . A 52 ASP CA C 13 52.013 . A 52 ASP CB C 13 42.816 . A 52 ASP N N 15 129.340 . A 53 GLY H H 1 8.568 . A 53 GLY HAy H 1 3.781 . A 53 GLY HAx H 1 3.559 . A 53 GLY C C 13 174.893 . A 53 GLY CA C 13 46.357 . A 53 GLY N N 15 111.833 . A 54 GLU H H 1 8.206 . A 54 GLU HA H 1 4.121 . A 54 GLU HBx H 1 2.044 . A 54 GLU HGy H 1 2.247 . A 54 GLU HGx H 1 2.105 . A 54 GLU C C 13 178.135 . A 54 GLU CA C 13 58.098 . A 54 GLU CB C 13 29.696 . A 54 GLU CG C 13 36.622 . A 54 GLU N N 15 120.364 . A 55 LYS H H 1 7.684 . A 55 LYS HA H 1 3.966 . A 55 LYS HBy H 1 1.653 . A 55 LYS HBx H 1 1.084 . A 55 LYS HDy H 1 1.310 . A 55 LYS HDx H 1 1.207 . A 55 LYS HEx H 1 2.871 . A 55 LYS HGy H 1 1.486 . A 55 LYS HGx H 1 1.363 . A 55 LYS C C 13 175.680 . A 55 LYS CA C 13 56.264 . A 55 LYS CB C 13 33.808 . A 55 LYS CD C 13 25.575 . A 55 LYS CE C 13 41.714 . A 55 LYS CG C 13 28.887 . A 55 LYS N N 15 117.508 . A 56 GLU H H 1 7.866 . A 56 GLU HA H 1 2.988 . A 56 GLU HBy H 1 2.105 . A 56 GLU HBx H 1 2.095 . A 56 GLU HGx H 1 2.019 . A 56 GLU C C 13 174.105 . A 56 GLU CA C 13 56.801 . A 56 GLU CB C 13 26.457 . A 56 GLU CG C 13 37.184 . A 56 GLU N N 15 116.439 . A 57 THR H H 1 6.502 . A 57 THR HA H 1 4.195 . A 57 THR HB H 1 3.866 . A 57 THR HG2% H 1 0.749 . A 57 THR C C 13 171.150 . A 57 THR CA C 13 59.803 . A 57 THR CB C 13 69.517 . A 57 THR CG2 C 13 19.184 . A 57 THR N N 15 109.265 . A 58 TYR H H 1 7.597 . A 58 TYR HA H 1 4.895 . A 58 TYR HBx H 1 2.562 . A 58 TYR HBy H 1 2.578 . A 58 TYR HDx H 1 6.422 . A 58 TYR HEx H 1 5.797 . A 58 TYR C C 13 175.828 . A 58 TYR CA C 13 57.316 . A 58 TYR CB C 13 39.984 . A 58 TYR CDx C 13 132.292 . A 58 TYR CEx C 13 118.607 . A 58 TYR N N 15 120.660 . A 59 VAL H H 1 9.268 . A 59 VAL HA H 1 4.492 . A 59 VAL HB H 1 1.338 . A 59 VAL HGx% H 1 0.894 . A 59 VAL HGy% H 1 0.594 . A 59 VAL CA C 13 58.539 . A 59 VAL CB C 13 34.076 . A 59 VAL CG1 C 13 21.135 . A 59 VAL CG2 C 13 20.808 . A 59 VAL N N 15 124.060 . A 60 PRO HA H 1 4.691 . A 60 PRO HBy H 1 2.313 . A 60 PRO HBx H 1 1.933 . A 60 PRO HDy H 1 3.790 . A 60 PRO HDx H 1 3.646 . A 60 PRO HGy H 1 2.129 . A 60 PRO HGx H 1 1.834 . A 60 PRO C C 13 176.560 . A 60 PRO CA C 13 63.370 . A 60 PRO CB C 13 32.297 . A 60 PRO CD C 13 51.140 . A 60 PRO CG C 13 28.022 . A 61 ALA H H 1 8.794 . A 61 ALA HA H 1 4.470 . A 61 ALA HB% H 1 1.230 . A 61 ALA C C 13 177.311 . A 61 ALA CA C 13 52.243 . A 61 ALA CB C 13 19.666 . A 61 ALA N N 15 125.778 . A 62 ALA H H 1 8.563 . A 62 ALA HA H 1 4.411 . A 62 ALA HB% H 1 1.452 . A 62 ALA C C 13 177.468 . A 62 ALA CA C 13 52.263 . A 62 ALA CB C 13 19.652 . A 62 ALA N N 15 123.429 . A 63 GLU H H 1 8.597 . A 63 GLU HA H 1 4.333 . A 63 GLU HBy H 1 2.126 . A 63 GLU HBx H 1 1.948 . A 63 GLU HGy H 1 2.278 . A 63 GLU HGx H 1 2.118 . A 63 GLU C C 13 175.745 . A 63 GLU CA C 13 56.615 . A 63 GLU CB C 13 30.486 . A 63 GLU CG C 13 36.562 . A 63 GLU N N 15 120.633 . A 64 SER H H 1 8.081 . A 64 SER HA H 1 4.209 . A 64 SER HBx H 1 3.833 . A 64 SER CA C 13 59.788 . A 64 SER CB C 13 64.809 . A 64 SER N N 15 121.941 . B 100 GLY HAy H 1 3.791 . B 100 GLY CA C 13 44.588 . B 101 MET HA H 1 4.451 . B 101 MET HBy H 1 1.994 . B 101 MET HBx H 1 1.931 . B 101 MET HE% H 1 2.013 . B 101 MET HGy H 1 2.498 . B 101 MET HGx H 1 2.467 . B 101 MET CA C 13 56.259 . B 101 MET CB C 13 33.266 . B 101 MET CE C 13 16.925 . B 102 ARG H H 1 8.417 . B 102 ARG HA H 1 4.587 . B 102 ARG HBy H 1 1.771 . B 102 ARG HBx H 1 1.668 . B 102 ARG HDx H 1 3.095 . B 102 ARG HGx H 1 1.621 . B 102 ARG CA C 13 53.866 . B 102 ARG CB C 13 30.174 . B 102 ARG CD C 13 43.227 . B 103 PRO HA H 1 4.615 . B 103 PRO HBy H 1 2.261 . B 103 PRO HBx H 1 1.838 . B 103 PRO HDy H 1 3.762 . B 103 PRO HDx H 1 3.542 . B 103 PRO HGy H 1 1.976 . B 103 PRO HGx H 1 1.945 . B 103 PRO CA C 13 61.461 . B 103 PRO CB C 13 30.643 . B 103 PRO CD C 13 50.605 . B 103 PRO CG C 13 27.276 . B 104 PRO HA H 1 4.601 . B 104 PRO HBy H 1 2.198 . B 104 PRO HBx H 1 1.806 . B 104 PRO HDy H 1 3.727 . B 104 PRO HDx H 1 3.521 . B 104 PRO HGx H 1 1.940 . B 104 PRO CA C 13 61.258 . B 104 PRO CB C 13 32.036 . B 104 PRO CD C 13 50.278 . B 104 PRO CG C 13 27.293 . B 105 PRO HA H 1 4.544 . B 105 PRO HBy H 1 2.167 . B 105 PRO HBx H 1 1.782 . B 105 PRO HDy H 1 3.665 . B 105 PRO HDx H 1 3.449 . B 105 PRO HGx H 1 1.903 . B 105 PRO CA C 13 61.225 . B 105 PRO CB C 13 30.619 . B 105 PRO CD C 13 50.174 . B 105 PRO CG C 13 27.267 . B 106 PRO HA H 1 4.331 . B 106 PRO HBy H 1 2.182 . B 106 PRO HBx H 1 1.822 . B 106 PRO HDy H 1 3.654 . B 106 PRO HDx H 1 3.469 . B 106 PRO HGx H 1 1.925 . B 106 PRO CA C 13 63.170 . B 106 PRO CB C 13 30.499 . B 106 PRO CD C 13 50.242 . B 106 PRO CG C 13 27.227 . B 107 GLY H H 1 8.284 . B 107 GLY HAx H 1 3.878 . B 107 GLY CA C 13 45.013 . B 108 ILE H H 1 7.868 . B 108 ILE HA H 1 4.128 . B 108 ILE HB H 1 1.786 . B 108 ILE HD1% H 1 0.770 . B 108 ILE HG12 H 1 1.366 . B 108 ILE HG13 H 1 1.130 . B 108 ILE HG21 H 1 0.841 . B 108 ILE HG22 H 1 0.841 . B 108 ILE HG23 H 1 0.841 . B 108 ILE CA C 13 62.266 . B 108 ILE CB C 13 38.572 . B 108 ILE CD1 C 13 12.777 . B 108 ILE CG1 C 13 27.256 . B 108 ILE CG2 C 13 17.422 . B 109 ARG H H 1 8.366 . B 109 ARG HA H 1 4.339 . B 109 ARG HBy H 1 1.852 . B 109 ARG HBx H 1 1.718 . B 109 ARG HDx H 1 3.129 . B 109 ARG HGy H 1 1.610 . B 109 ARG HGx H 1 1.582 . B 109 ARG CA C 13 55.870 . B 109 ARG CB C 13 30.829 . B 109 ARG CD C 13 43.158 . B 109 ARG CG C 13 26.768 . B 110 GLY H H 1 7.902 . B 110 GLY HAy H 1 3.726 . B 110 GLY HAx H 1 3.685 . B 110 GLY CA C 13 45.951 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 50 TYR HA A 40 TYR HD% 1.0 0.0 6.0 2 2 A 50 TYR HA A 50 TYR HD% 1.0 1.9 4.5 3 3 A 50 TYR HA A 50 TYR HE% 1.0 0.0 6.0 4 4 A 50 TYR HA A 39 TYR HA 1.0 0.0 6.0 5 5 A 50 TYR HA A 50 TYR HBx 1.0 1.8 3.6 6 6 A 50 TYR HA A 50 TYR HBy 1.0 1.7 3.1 7 7 A 32 TYR HA A 32 TYR HD% 1.0 0.0 6.0 8 8 A 39 TYR HA A 39 TYR HD% 1.0 0.0 6.0 9 9 A 50 TYR HD% A 39 TYR HA 1.0 0.0 6.0 10 10 A 24 TYR HA A 24 TYR HE% 1.0 2.0 6.0 11 11 A 50 TYR HD% A 49 LEU HA 1.0 0.0 6.0 12 12 A 40 TYR HA A 40 TYR HE% 1.0 1.9 6.0 13 13 A 48 TYR HA A 48 TYR HE% 1.0 1.9 6.0 14 14 A 32 TYR HA A 32 TYR HE% 1.0 0.0 6.0 15 15 A 39 TYR HA A 39 TYR HE% 1.0 0.0 6.0 16 16 A 48 TYR HA A 41 TYR HE% 1.0 2.0 6.0 17 17 A 40 TYR HA A 33 TYR HD% 1.0 0.0 6.0 18 18 A 48 TYR HA A 41 TYR HD% 1.0 1.9 4.5 19 19 A 48 TYR HA A 41 TYR HA 1.0 1.7 3.3 20 20 A 32 TYR HA A 25 TYR HA 1.0 0.0 6.0 21 21 A 49 LEU HA A 60 PRO HA 1.0 1.6 3.0 22 22 A 24 TYR HA A 17 TYR HA 1.0 1.7 3.3 23 23 A 49 LEU HA A 60 PRO HDx 1.0 1.8 6.0 24 24 A 32 TYR HA A 23 TYR HBx 1.0 0.0 6.0 25 25 A 24 TYR HA A 24 TYR HBx 1.0 1.9 3.9 26 26 A 40 TYR HA A 40 TYR HBx 1.0 1.9 4.1 27 27 A 32 TYR HA A 32 TYR HBx 1.0 0.0 6.0 28 28 A 39 TYR HA A 39 TYR HBy 1.0 0.0 6.0 29 29 A 24 TYR HA A 24 TYR HBy 1.0 1.9 4.1 30 30 A 48 TYR HA A 48 TYR HBx 1.0 1.8 3.4 31 31 A 24 TYR HA A 17 TYR HBy 1.0 0.0 6.0 32 32 A 40 TYR HA A 33 TYR HBy 1.0 2.0 5.8 33 33 A 32 TYR HA A 41 TYR HBy 1.0 0.0 6.0 34 34 A 49 LEU HA A 58 TYR HBy 1.0 1.9 6.0 35 35 A 49 LEU HA A 60 PRO HBx 1.0 2.0 6.0 36 36 A 40 TYR HA A 49 LEU HBy 1.0 2.0 6.0 37 37 A 48 TYR HA A 49 LEU HG 1.0 1.9 5.5 38 38 A 49 LEU HA A 49 LEU HBx 1.0 1.7 3.5 39 39 A 49 LEU HA A 49 LEU HBy 1.0 1.8 3.6 40 40 A 48 TYR HA A 61 ALA HB% 1.0 0.0 6.0 41 41 A 49 LEU HA A 61 ALA HB% 1.0 0.0 6.0 42 42 A 48 TYR HA A 49 LEU HDy% 1.0 0.0 6.0 43 43 A 49 LEU HA A 49 LEU HDx% 1.0 1.9 3.9 44 44 A 40 TYR HD% A 33 TYR HA 1.0 1.9 5.1 45 45 A 41 TYR HA A 48 TYR HD% 1.0 0.0 6.0 46 46 A 15 TYR HA A 24 TYR HD% 1.0 2.0 6.0 47 47 A 24 TYR HD% A 16 GLN HA 1.0 2.0 5.4 48 48 A 23 TYR HA A 23 TYR HD% 1.0 0.0 6.0 49 49 A 24 TYR HE% A 16 GLN HA 1.0 1.9 6.0 50 50 A 23 TYR HD% A 34 ASP HA 1.0 0.0 6.0 51 51 A 15 TYR HA A 15 TYR HD% 1.0 1.8 3.4 52 52 A 15 TYR HD% A 26 ASP HA 1.0 2.0 5.4 53 53 A 15 TYR HA A 15 TYR HE% 1.0 2.0 5.6 54 54 A 26 ASP HA A 15 TYR HE% 1.0 2.0 6.0 55 55 A 41 TYR HD% A 41 TYR HA 1.0 1.8 3.6 56 56 A 33 TYR HD% A 33 TYR HA 1.0 0.0 6.0 57 57 A 40 TYR HA A 33 TYR HA 1.0 1.7 3.3 58 58 A 23 TYR HA A 34 ASP HA 1.0 2.0 4.8 59 59 A 58 TYR HA A 51 TRP HA 1.0 1.8 3.4 60 60 A 23 TYR HA A 35 PRO HDx 1.0 1.9 4.7 61 61 A 15 TYR HA A 27 PRO HDy 1.0 1.9 4.7 62 62 A 23 TYR HBx A 23 TYR HA 1.0 1.8 3.4 63 63 A 15 TYR HA A 15 TYR HBy 1.0 1.7 3.1 64 64 A 26 ASP HA A 15 TYR HBy 1.0 1.9 6.0 65 65 A 23 TYR HA A 23 TYR HBy 1.0 1.9 4.1 66 66 A 41 TYR HA A 32 TYR HBx 1.0 0.0 6.0 67 67 A 42 ASN HA A 42 ASN HBx 1.0 1.9 3.7 68 68 A 58 TYR HBy A 58 TYR HA 1.0 1.7 3.3 69 69 A 33 TYR HA A 33 TYR HBx 1.0 2.0 4.4 70 70 A 41 TYR HA A 41 TYR HBx 1.0 1.8 4.0 71 71 A 16 GLN HA A 16 GLN HGy 1.0 1.7 3.1 72 72 A 41 TYR HA A 41 TYR HBy 1.0 1.8 3.6 73 73 A 16 GLN HA A 16 GLN HBx 1.0 1.7 3.1 74 74 A 23 TYR HA A 35 PRO HGy 1.0 2.0 6.0 75 75 A 42 ASN HA A 42 ASN HBy 1.0 1.7 3.1 76 76 A 26 ASP HA A 27 PRO HGy 1.0 2.0 6.0 77 77 A 42 ASN HA A 47 GLN HBy 1.0 2.0 6.0 78 78 A 60 PRO HA A 49 LEU HBy 1.0 2.0 6.0 79 79 A 49 LEU HBx A 58 TYR HA 1.0 2.0 5.8 80 80 A 49 LEU HG A 58 TYR HA 1.0 1.9 6.0 81 81 A 41 TYR HA A 49 LEU HG 1.0 2.0 6.0 82 82 A 60 PRO HA A 61 ALA HB% 1.0 0.0 6.0 83 83 A 15 TYR HA A 26 ASP HBy 1.0 2.0 5.2 84 84 A 42 ASN HA A 45 THR HG2% 1.0 0.0 6.0 85 85 A 26 ASP HA A 26 ASP HBy 1.0 1.8 3.8 86 86 A 58 TYR HA A 59 VAL HGx% 1.0 2.0 6.0 87 87 A 41 TYR HA A 49 LEU HDy% 1.0 2.0 6.0 88 88 A 58 TYR HA A 59 VAL HGy% 1.0 2.0 5.4 89 89 A 42 ASN HA A 31 LEU HDx% 1.0 0.0 6.0 90 90 A 57 THR HA A 7 TYR HD% 1.0 0.0 6.0 91 91 A 7 TYR HD% A 7 TYR HA 1.0 0.0 6.0 92 92 A 32 TYR HD% A 31 LEU HA 1.0 0.0 6.0 93 93 A 23 TYR HD% A 21 SER HA 1.0 2.0 6.0 94 94 A 50 TYR HD% A 61 ALA HA 1.0 0.0 6.0 95 95 A 24 TYR HE% A 35 PRO HDx 1.0 2.0 5.2 96 96 A 15 TYR HD% A 14 THR HA 1.0 0.0 6.0 97 97 A 29 THR HA A 7 TYR HE% 1.0 0.0 6.0 98 98 A 51 TRP HA A 51 TRP HD1 1.0 2.0 6.0 99 99 A 50 TYR HE% A 61 ALA HA 1.0 0.0 6.0 100 100 A 51 TRP HA A 58 TYR HD% 1.0 2.0 5.4 101 101 A 35 PRO HDx A 23 TYR HE% 1.0 0.0 6.0 102 102 A 35 PRO HDx A 33 TYR HE% 1.0 2.0 6.0 103 103 A 51 TRP HA A 51 TRP HZ3 1.0 1.5 6.0 104 104 A 51 TRP HA A 51 TRP HE3 1.0 2.0 4.6 105 105 A 34 ASP HA A 35 PRO HDx 1.0 1.6 2.8 106 106 A 28 THR HB A 28 THR HA 1.0 1.6 2.8 107 107 A 29 THR HA A 29 THR HB 1.0 1.7 2.9 108 108 A 5 THR HA A 5 THR HB 1.0 1.6 2.8 109 109 A 13 SER HA A 13 SER HBy 1.0 1.6 2.6 110 110 A 37 SER HA A 37 SER HBx 1.0 1.7 2.9 111 111 A 60 PRO HDx A 59 VAL HA 1.0 1.6 2.6 112 112 A 59 VAL HA A 60 PRO HDy 1.0 1.7 3.1 113 113 A 21 SER HA A 21 SER HBx 1.0 1.6 2.6 114 114 A 57 THR HA A 7 TYR HBx 1.0 0.0 6.0 115 115 A 7 TYR HA A 7 TYR HBx 1.0 1.7 3.5 116 116 A 51 TRP HA A 51 TRP HBx 1.0 1.9 4.9 117 117 A 37 SER HA A 36 ASN HBx 1.0 2.0 6.0 118 118 A 36 ASN HBx A 36 ASN HA 1.0 1.7 3.3 119 119 A 7 TYR HA A 7 TYR HBy 1.0 1.9 4.1 120 120 A 25 TYR HA A 25 TYR HBy 1.0 1.9 4.1 121 121 A 36 ASN HA A 36 ASN HBy 1.0 1.7 3.3 122 122 A 51 TRP HA A 51 TRP HBy 1.0 1.8 3.8 123 123 A 11 ASP HA A 11 ASP HBx 1.0 1.8 3.6 124 124 A 45 THR HB A 47 GLN HGy 1.0 1.8 3.4 125 125 A 54 GLU HA A 54 GLU HGx 1.0 1.8 3.8 126 126 A 63 GLU HA A 63 GLU HGx 1.0 1.8 4.2 127 127 A 47 GLN HGy A 47 GLN HA 1.0 1.7 3.5 128 128 A 52 ASP HA A 52 ASP HBx 1.0 1.8 3.8 129 129 A 11 ASP HA A 11 ASP HBy 1.0 1.8 3.6 130 130 A 35 PRO HDx A 35 PRO HBx 1.0 1.9 5.3 131 131 A 59 VAL HA A 60 PRO HGx 1.0 2.0 6.0 132 132 A 54 GLU HA A 54 GLU HBy 1.0 1.5 2.7 133 133 A 3 MET HA A 3 MET HBy 1.0 1.8 3.6 134 134 A 63 GLU HA A 63 GLU HBx 1.0 1.7 3.5 135 135 A 63 GLU HA A 63 GLU HBy 1.0 1.9 4.1 136 136 A 52 ASP HA A 52 ASP HBy 1.0 1.7 3.3 137 137 A 35 PRO HDx A 35 PRO HBy 1.0 1.8 3.8 138 138 A 45 THR HB A 47 GLN HBx 1.0 2.0 6.0 139 139 A 47 GLN HBy A 45 THR HA 1.0 2.0 6.0 140 140 A 59 VAL HA A 60 PRO HGy 1.0 2.0 6.0 141 141 A 21 SER HA B 108 ILE HB 1.0 1.9 6.0 142 142 A 44 LEU HA A 44 LEU HBx 1.0 1.7 3.3 143 143 A 44 LEU HA A 44 LEU HG 1.0 1.7 3.1 144 144 A 47 GLN HA A 47 GLN HBx 1.0 1.7 3.1 145 145 A 47 GLN HBy A 47 GLN HA 1.0 1.8 3.8 146 146 A 31 LEU HA A 31 LEU HBx 1.0 1.9 3.9 147 147 A 7 TYR HA A 8 ALA HB% 1.0 2.0 6.0 148 148 A 59 VAL HA A 59 VAL HB 1.0 1.8 3.6 149 149 A 62 ALA HA A 62 ALA HB% 1.0 1.6 2.8 150 150 A 8 ALA HB% A 8 ALA HA 1.0 1.5 2.5 151 151 A 14 THR HB A 14 THR HG2% 1.0 1.6 2.6 152 152 A 45 THR HG2% A 45 THR HB 1.0 1.6 2.6 153 153 A 28 THR HB A 28 THR HG2% 1.0 1.6 2.8 154 154 A 14 THR HA A 14 THR HG2% 1.0 0.0 6.0 155 155 A 29 THR HA A 29 THR HG2% 1.0 0.0 6.0 156 156 A 45 THR HG2% A 45 THR HA 1.0 1.6 3.0 157 157 A 7 TYR HA A 29 THR HG2% 1.0 0.0 6.0 158 158 A 31 LEU HA A 31 LEU HG 1.0 1.9 3.9 159 159 A 61 ALA HB% A 61 ALA HA 1.0 0.0 6.0 160 160 A 57 THR HA A 57 THR HG2% 1.0 1.9 4.1 161 161 A 59 VAL HGx% A 59 VAL HA 1.0 1.7 3.1 162 162 A 59 VAL HA A 57 THR HG2% 1.0 1.9 4.9 163 163 A 44 LEU HA A 44 LEU HDy% 1.0 1.7 3.3 164 164 A 59 VAL HGx% A 52 ASP HA 1.0 0.0 6.0 165 165 A 59 VAL HGy% A 59 VAL HA 1.0 0.0 6.0 166 166 A 31 LEU HDx% A 31 LEU HA 1.0 0.0 6.0 167 167 A 59 VAL HGy% A 52 ASP HA 1.0 0.0 6.0 168 168 A 29 THR HA A 31 LEU HDy% 1.0 0.0 6.0 169 169 A 31 LEU HA A 31 LEU HDy% 1.0 1.9 5.3 170 170 A 32 TYR HD% A 43 SER HBx 1.0 0.0 6.0 171 171 A 32 TYR HD% A 43 SER HBy 1.0 0.0 6.0 172 172 A 32 TYR HD% A 43 SER HA 1.0 0.0 6.0 173 173 A 24 TYR HD% A 35 PRO HDy 1.0 2.0 5.2 174 174 A 39 TYR HD% A 37 SER HBx 1.0 0.0 6.0 175 175 A 24 TYR HE% A 17 TYR HA 1.0 0.0 6.0 176 176 A 24 TYR HE% A 35 PRO HDy 1.0 1.9 5.5 177 177 A 23 TYR HD% A 22 GLY HAx 1.0 2.0 6.0 178 178 A 53 GLY HAx A 51 TRP HZ2 1.0 1.9 6.0 179 179 A 23 TYR HD% A 22 GLY HAy 1.0 1.9 6.0 180 180 A 51 TRP HZ2 A 53 GLY HAy 1.0 2.0 4.8 181 181 A 39 TYR HD% A 39 TYR HBx 1.0 1.8 3.6 182 182 A 7 TYR HE% A 29 THR HB 1.0 0.0 6.0 183 183 A 32 TYR HE% A 43 SER HBx 1.0 0.0 6.0 184 184 A 39 TYR HE% A 37 SER HBx 1.0 0.0 6.0 185 185 A 32 TYR HE% A 43 SER HA 1.0 0.0 6.0 186 186 A 9 VAL HA A 51 TRP HH2 1.0 2.0 6.0 187 187 A 39 TYR HE% A 39 TYR HBx 1.0 1.9 6.0 188 188 A 33 TYR HE% A 35 PRO HA 1.0 0.0 6.0 189 189 A 17 TYR HA A 17 TYR HE% 1.0 2.0 6.0 190 190 A 33 TYR HE% A 38 GLN HA 1.0 0.0 6.0 191 191 A 17 TYR HE% A 19 GLU HA 1.0 1.7 3.3 192 192 A 22 GLY HAy A 17 TYR HE% 1.0 1.8 4.2 193 193 A 41 TYR HE% A 43 SER HBx 1.0 1.9 3.9 194 194 A 41 TYR HE% A 43 SER HBy 1.0 2.0 4.6 195 195 A 41 TYR HE% A 43 SER HA 1.0 1.7 2.9 196 196 A 19 GLU HA A 17 TYR HD% 1.0 1.9 4.9 197 197 A 27 PRO HDy A 25 TYR HD% 1.0 0.0 6.0 198 198 A 29 THR HB A 58 TYR HE% 1.0 0.0 6.0 199 199 A 33 TYR HD% A 35 PRO HA 1.0 2.0 6.0 200 200 A 41 TYR HD% A 43 SER HBy 1.0 2.0 6.0 201 201 A 33 TYR HD% A 38 GLN HA 1.0 0.0 6.0 202 202 A 49 LEU HA A 60 PRO HDy 1.0 2.0 5.0 203 203 A 48 TYR HA A 39 TYR HBx 1.0 1.8 6.0 204 204 A 23 TYR HA A 35 PRO HDy 1.0 2.0 4.6 205 205 A 23 TYR HA A 22 GLY HAx 1.0 2.0 6.0 206 206 A 23 TYR HA A 22 GLY HAy 1.0 2.0 6.0 207 207 A 39 TYR HA A 39 TYR HBx 1.0 1.9 3.9 208 208 A 42 ASN HA A 43 SER HBx 1.0 1.8 6.0 209 209 A 42 ASN HA A 43 SER HA 1.0 2.0 6.0 210 210 A 34 ASP HA A 35 PRO HDy 1.0 1.7 3.3 211 211 A 43 SER HA B 102 ARG HA 1.0 1.8 6.0 212 212 A 26 ASP HA A 27 PRO HDy 1.0 1.5 2.5 213 213 A 57 THR HA A 57 THR HB 1.0 1.7 3.3 214 214 A 35 PRO HDx A 35 PRO HDy 1.0 1.5 2.5 215 215 A 43 SER HBx A 43 SER HA 1.0 1.6 3.0 216 216 A 35 PRO HA A 38 GLN HA 1.0 1.9 4.3 217 217 A 22 GLY HAx A 22 GLY HAy 1.0 1.4 2.4 218 218 A 43 SER HBx A 46 GLN HA 1.0 1.9 6.0 219 219 A 60 PRO HDx A 60 PRO HDy 1.0 1.4 2.2 220 220 A 53 GLY HAx A 53 GLY HAy 1.0 1.5 2.5 221 221 A 27 PRO HDy A 15 TYR HBy 1.0 1.9 6.0 222 222 A 43 SER HBx B 102 ARG HDy 1.0 2.0 6.0 223 223 A 55 LYS HA A 55 LYS HEy 1.0 2.0 6.0 224 224 A 53 GLY HAy A 56 GLU HA 1.0 1.9 4.9 225 225 A 39 TYR HBy A 39 TYR HBx 1.0 1.6 2.6 226 226 A 17 TYR HA A 17 TYR HBx 1.0 1.9 4.1 227 227 A 48 TYR HBx A 39 TYR HBx 1.0 2.0 5.4 228 228 A 12 THR HB A 12 THR HA 1.0 1.8 3.8 229 229 A 35 PRO HBx A 35 PRO HA 1.0 1.6 3.0 230 230 A 9 VAL HA A 10 PRO HDx 1.0 1.7 3.3 231 231 A 38 GLN HA A 38 GLN HBy 1.0 1.6 3.0 232 232 A 19 GLU HA A 19 GLU HGy 1.0 1.8 3.4 233 233 A 52 ASP HBx A 55 LYS HA 1.0 1.8 6.0 234 234 A 60 PRO HDx A 60 PRO HBx 1.0 2.0 4.8 235 235 A 60 PRO HBx A 60 PRO HDy 1.0 1.9 5.1 236 236 A 35 PRO HBy A 35 PRO HA 1.0 1.7 3.3 237 237 A 9 VAL HA A 10 PRO HDy 1.0 1.8 3.8 238 238 A 38 GLN HA A 38 GLN HGy 1.0 1.7 3.5 239 239 A 19 GLU HA A 19 GLU HBx 1.0 1.6 2.8 240 240 A 27 PRO HDy A 27 PRO HGy 1.0 1.5 2.5 241 241 A 60 PRO HDx A 60 PRO HGx 1.0 1.7 3.3 242 242 A 60 PRO HDy A 60 PRO HGx 1.0 1.8 3.8 243 243 A 29 THR HB A 31 LEU HBx 1.0 2.0 6.0 244 244 A 57 THR HB A 55 LYS HBx 1.0 1.9 6.0 245 245 A 43 SER HBx B 103 PRO HBy 1.0 0.0 6.0 246 246 A 43 SER HBx B 102 ARG HGy 1.0 2.0 6.0 247 247 A 10 PRO HA A 10 PRO HBx 1.0 1.6 3.0 248 248 A 37 SER HBy B 106 PRO HGy 1.0 1.9 6.0 249 249 A 9 VAL HA A 9 VAL HB 1.0 1.8 3.8 250 250 A 29 THR HB A 31 LEU HBy 1.0 2.0 5.4 251 251 A 10 PRO HA A 10 PRO HBy 1.0 1.8 4.0 252 252 A 60 PRO HDx A 59 VAL HB 1.0 2.0 5.8 253 253 A 60 PRO HDy A 59 VAL HB 1.0 1.8 4.0 254 254 A 29 THR HB A 29 THR HG2% 1.0 1.6 2.8 255 255 A 55 LYS HA A 55 LYS HDy 1.0 1.8 3.6 256 256 A 55 LYS HA A 55 LYS HBy 1.0 1.9 4.1 257 257 A 27 PRO HDy A 26 ASP HBy 1.0 2.0 6.0 258 258 A 57 THR HG2% A 57 THR HB 1.0 1.6 2.8 259 259 A 44 LEU HDy% A 43 SER HBx 1.0 0.0 6.0 260 260 A 9 VAL HA A 9 VAL HGx% 1.0 1.8 3.6 261 261 A 57 THR HG2% A 55 LYS HA 1.0 2.0 6.0 262 262 A 31 LEU HDx% A 29 THR HB 1.0 2.0 4.4 263 263 A 10 PRO HA A 12 THR HG2% 1.0 0.0 6.0 264 264 A 29 THR HB A 31 LEU HDy% 1.0 0.0 6.0 265 265 A 32 TYR HD% A 23 TYR HBx 1.0 2.0 6.0 266 266 A 23 TYR HD% A 21 SER HBx 1.0 1.9 4.5 267 267 A 23 TYR HBx A 23 TYR HD% 1.0 1.9 4.5 268 268 A 50 TYR HE% A 50 TYR HBx 1.0 2.0 6.0 269 269 A 50 TYR HE% A 50 TYR HBy 1.0 2.0 5.6 270 270 A 15 TYR HD% A 15 TYR HBy 1.0 1.8 3.6 271 271 A 23 TYR HE% A 21 SER HBx 1.0 0.0 6.0 272 272 A 23 TYR HBx A 23 TYR HE% 1.0 1.9 6.0 273 273 A 58 TYR HD% A 7 TYR HBx 1.0 0.0 6.0 274 274 A 41 TYR HD% A 46 GLN HA 1.0 2.0 6.0 275 275 A 41 TYR HD% A 32 TYR HBx 1.0 0.0 6.0 276 276 A 7 TYR HBx A 58 TYR HE% 1.0 0.0 6.0 277 277 A 51 TRP HE3 A 51 TRP HBx 1.0 1.9 6.0 278 278 A 23 TYR HBx A 34 ASP HA 1.0 2.0 6.0 279 279 A 34 ASP HA A 23 TYR HBy 1.0 1.6 6.0 280 280 A 58 TYR HA A 51 TRP HBx 1.0 1.7 6.0 281 281 A 17 TYR HA A 24 TYR HBx 1.0 1.9 6.0 282 282 A 23 TYR HBx A 23 TYR HBy 1.0 1.5 2.5 283 283 A 7 TYR HBx A 7 TYR HBy 1.0 0.0 6.0 284 284 A 46 GLN HA A 46 GLN HBx 1.0 1.8 3.8 285 285 A 24 TYR HBx A 33 TYR HBy 1.0 2.0 6.0 286 286 A 32 TYR HBx A 41 TYR HBy 1.0 0.0 6.0 287 287 A 46 GLN HA A 46 GLN HGx 1.0 1.6 2.8 288 288 A 42 ASN HBx A 42 ASN HBy 1.0 1.5 2.3 289 289 A 21 SER HBx B 104 PRO HGy 1.0 1.9 6.0 290 290 A 42 ASN HBx A 47 GLN HBy 1.0 1.8 4.0 291 291 A 21 SER HBx B 108 ILE HG13 1.0 1.7 6.0 292 292 A 21 SER HBx B 108 ILE HD1% 1.0 1.9 6.0 293 293 A 7 TYR HBx A 29 THR HG2% 1.0 0.0 6.0 294 294 A 42 ASN HBx A 45 THR HG2% 1.0 1.9 5.5 295 295 A 51 TRP HBx A 10 PRO HGx 1.0 1.9 6.0 296 296 A 21 SER HBx B 108 ILE HG21 1.0 1.9 6.0 297 297 A 31 LEU HDx% A 30 GLY HAy 1.0 1.9 6.0 298 298 A 42 ASN HBx A 31 LEU HDx% 1.0 1.9 4.7 299 299 A 42 ASN HBx A 31 LEU HDy% 1.0 0.0 6.0 300 300 A 40 TYR HD% A 40 TYR HBx 1.0 1.8 3.8 301 301 A 48 TYR HBx A 48 TYR HD% 1.0 0.0 6.0 302 302 A 23 TYR HD% A 34 ASP HBx 1.0 2.0 6.0 303 303 A 50 TYR HD% A 52 ASP HBx 1.0 0.0 6.0 304 304 A 24 TYR HE% A 17 TYR HBx 1.0 2.0 5.6 305 305 A 32 TYR HE% A 18 ASP HBx 1.0 0.0 6.0 306 306 A 40 TYR HE% A 33 TYR HBx 1.0 2.0 5.6 307 307 A 51 TRP HD1 A 51 TRP HBy 1.0 1.9 5.3 308 308 A 23 TYR HE% A 34 ASP HBx 1.0 0.0 6.0 309 309 A 58 TYR HD% A 7 TYR HBy 1.0 0.0 6.0 310 310 A 58 TYR HBy A 58 TYR HD% 1.0 1.9 3.9 311 311 A 17 TYR HE% A 17 TYR HBx 1.0 2.0 6.0 312 312 A 51 TRP HZ3 A 7 TYR HBy 1.0 1.9 4.9 313 313 A 17 TYR HD% A 17 TYR HBx 1.0 1.8 3.4 314 314 A 16 GLN HGy A 25 TYR HD% 1.0 0.0 6.0 315 315 A 33 TYR HD% A 33 TYR HBx 1.0 1.8 3.8 316 316 A 41 TYR HD% A 41 TYR HBx 1.0 1.7 3.5 317 317 A 7 TYR HBy A 58 TYR HE% 1.0 2.0 6.0 318 318 A 58 TYR HBy A 58 TYR HE% 1.0 2.0 6.0 319 319 A 32 TYR HA A 25 TYR HBy 1.0 0.0 6.0 320 320 A 40 TYR HA A 33 TYR HBx 1.0 0.0 6.0 321 321 A 51 TRP HE3 A 51 TRP HBy 1.0 2.0 5.4 322 322 A 34 ASP HA A 34 ASP HBx 1.0 1.9 4.1 323 323 A 58 TYR HA A 51 TRP HBy 1.0 2.0 6.0 324 324 A 18 ASP HBx A 18 ASP HA 1.0 1.8 3.8 325 325 A 26 ASP HA A 26 ASP HBx 1.0 1.9 4.3 326 326 A 35 PRO HDy A 34 ASP HBx 1.0 2.0 6.0 327 327 A 24 TYR HBx A 33 TYR HBx 1.0 2.0 5.6 328 328 A 51 TRP HBx A 51 TRP HBy 1.0 1.5 2.7 329 329 A 32 TYR HBx A 41 TYR HBx 1.0 0.0 6.0 330 330 A 36 ASN HBx A 36 ASN HBy 1.0 1.3 2.2 331 331 A 18 ASP HBx A 18 ASP HBy 1.0 1.5 2.5 332 332 A 11 ASP HBx A 11 ASP HBy 1.0 1.5 2.5 333 333 A 16 GLN HGy A 16 GLN HBx 1.0 1.7 3.1 334 334 A 56 GLU HA A 56 GLU HBx 1.0 1.8 3.4 335 335 A 34 ASP HBx A 34 ASP HBy 1.0 1.5 2.3 336 336 A 52 ASP HBx A 52 ASP HBy 1.0 1.5 2.5 337 337 A 52 ASP HBx A 55 LYS HGy 1.0 1.9 4.7 338 338 A 48 TYR HBx A 49 LEU HBx 1.0 0.0 6.0 339 339 A 58 TYR HBy A 49 LEU HBx 1.0 1.8 3.8 340 340 A 58 TYR HBy A 49 LEU HBy 1.0 1.9 5.1 341 341 A 26 ASP HBy A 26 ASP HBx 1.0 1.5 2.7 342 342 A 48 TYR HBx A 61 ALA HB% 1.0 0.0 6.0 343 343 A 11 ASP HBx A 14 THR HG2% 1.0 1.9 4.7 344 344 A 51 TRP HBy A 10 PRO HGy 1.0 0.0 6.0 345 345 A 59 VAL HGx% A 52 ASP HBx 1.0 0.0 6.0 346 346 A 52 ASP HBx A 57 THR HG2% 1.0 0.0 6.0 347 347 A 59 VAL HGy% A 52 ASP HBx 1.0 0.0 6.0 348 348 A 48 TYR HBx A 49 LEU HDx% 1.0 0.0 6.0 349 349 A 58 TYR HBy A 49 LEU HDx% 1.0 1.8 3.6 350 350 A 58 TYR HBy A 31 LEU HDy% 1.0 2.0 5.6 351 351 A 50 TYR HD% A 52 ASP HBy 1.0 0.0 6.0 352 352 A 23 TYR HD% A 34 ASP HBy 1.0 2.0 5.2 353 353 A 51 TRP HZ2 A 56 GLU HGy 1.0 2.0 5.6 354 354 A 24 TYR HD% A 35 PRO HGy 1.0 2.0 4.6 355 355 A 15 TYR HD% A 12 THR HA 1.0 2.0 5.4 356 356 A 40 TYR HE% A 33 TYR HBy 1.0 1.9 4.7 357 357 A 32 TYR HE% A 18 ASP HBy 1.0 0.0 6.0 358 358 A 50 TYR HE% A 52 ASP HBy 1.0 0.0 6.0 359 359 A 33 TYR HBy A 33 TYR HE% 1.0 2.0 6.0 360 360 A 23 TYR HE% A 34 ASP HBy 1.0 0.0 6.0 361 361 A 33 TYR HE% A 38 GLN HGx 1.0 0.0 6.0 362 362 A 33 TYR HE% A 38 GLN HGy 1.0 0.0 6.0 363 363 A 27 PRO HBx A 25 TYR HE% 1.0 0.0 6.0 364 364 A 33 TYR HE% A 38 GLN HBy 1.0 0.0 6.0 365 365 A 27 PRO HGy A 25 TYR HE% 1.0 0.0 6.0 366 366 A 15 TYR HE% A 12 THR HA 1.0 0.0 6.0 367 367 A 25 TYR HD% A 18 ASP HBy 1.0 0.0 6.0 368 368 A 17 TYR HD% A 19 GLU HGy 1.0 0.0 6.0 369 369 A 41 TYR HE% A 46 GLN HGx 1.0 2.0 6.0 370 370 A 16 GLN HBx A 25 TYR HD% 1.0 0.0 6.0 371 371 A 27 PRO HGy A 25 TYR HD% 1.0 0.0 6.0 372 372 A 33 TYR HD% A 33 TYR HBy 1.0 1.9 4.3 373 373 A 33 TYR HD% A 35 PRO HBy 1.0 0.0 6.0 374 374 A 33 TYR HD% A 35 PRO HGy 1.0 1.9 5.5 375 375 A 49 LEU HA A 60 PRO HGx 1.0 1.7 6.0 376 376 A 33 TYR HBy A 33 TYR HA 1.0 1.9 4.1 377 377 A 18 ASP HA A 18 ASP HBy 1.0 1.8 3.6 378 378 A 60 PRO HA A 60 PRO HBx 1.0 1.6 3.0 379 379 A 60 PRO HA A 60 PRO HBy 1.0 1.8 3.8 380 380 A 54 GLU HA A 54 GLU HGy 1.0 1.9 4.3 381 381 A 35 PRO HDx A 35 PRO HGy 1.0 1.6 3.0 382 382 A 35 PRO HA A 38 GLN HGx 1.0 2.0 5.6 383 383 A 27 PRO HBx A 27 PRO HA 1.0 1.6 3.0 384 384 A 35 PRO HA A 38 GLN HBy 1.0 1.9 6.0 385 385 A 38 GLN HA A 38 GLN HGx 1.0 1.9 3.9 386 386 A 46 GLN HA A 46 GLN HGy 1.0 1.8 3.4 387 387 A 60 PRO HDy A 60 PRO HBy 1.0 1.9 4.5 388 388 A 46 GLN HA A 46 GLN HBy 1.0 1.7 3.5 389 389 A 56 GLU HA A 56 GLU HGy 1.0 1.9 4.3 390 390 A 33 TYR HBy A 33 TYR HBx 1.0 1.6 2.6 391 391 A 10 PRO HDx A 10 PRO HDy 1.0 1.7 3.3 392 392 A 19 GLU HGy A 19 GLU HBx 1.0 1.8 3.4 393 393 A 63 GLU HGx A 63 GLU HGy 1.0 1.3 2.2 394 394 A 63 GLU HBx A 63 GLU HGy 1.0 0.0 6.0 395 395 A 63 GLU HBx A 63 GLU HBy 1.0 1.4 2.2 396 396 A 46 GLN HBx A 46 GLN HBy 1.0 1.5 2.3 397 397 A 10 PRO HDx A 9 VAL HB 1.0 2.0 5.8 398 398 A 10 PRO HDy A 9 VAL HB 1.0 2.0 6.0 399 399 A 52 ASP HBy A 55 LYS HBx 1.0 2.0 6.0 400 400 A 47 GLN HBy A 47 GLN HGy 1.0 1.7 3.1 401 401 A 52 ASP HBy A 55 LYS HGy 1.0 2.0 5.4 402 402 A 49 LEU HG A 42 ASN HBy 1.0 2.0 6.0 403 403 A 10 PRO HDx A 10 PRO HGy 1.0 2.0 5.0 404 404 A 52 ASP HBy A 55 LYS HBy 1.0 2.0 5.2 405 405 A 42 ASN HBy A 45 THR HG2% 1.0 0.0 6.0 406 406 A 59 VAL HGx% A 52 ASP HBy 1.0 1.9 5.1 407 407 A 52 ASP HBy A 57 THR HG2% 1.0 0.0 6.0 408 408 A 12 THR HA A 12 THR HG2% 1.0 1.9 3.9 409 409 A 42 ASN HBy A 31 LEU HDx% 1.0 1.7 3.3 410 410 A 49 LEU HDx% A 47 GLN HGy 1.0 0.0 6.0 411 411 A 40 TYR HD% A 31 LEU HBx 1.0 0.0 6.0 412 412 A 40 TYR HD% A 31 LEU HBy 1.0 2.0 5.6 413 413 A 40 TYR HE% A 31 LEU HBy 1.0 0.0 6.0 414 414 A 40 TYR HA A 49 LEU HBx 1.0 1.8 6.0 415 415 A 49 LEU HA A 60 PRO HGy 1.0 1.8 6.0 416 416 A 49 LEU HBy A 58 TYR HA 1.0 1.7 6.0 417 417 A 60 PRO HA A 49 LEU HBx 1.0 1.9 6.0 418 418 A 31 LEU HA A 31 LEU HBy 1.0 1.9 3.9 419 419 A 44 LEU HA A 44 LEU HBy 1.0 1.7 3.5 420 420 A 6 LYS HBx A 6 LYS HA 1.0 1.8 3.8 421 421 A 6 LYS HA A 6 LYS HGx 1.0 2.0 5.2 422 422 A 55 LYS HA A 55 LYS HBx 1.0 1.8 3.4 423 423 A 55 LYS HA A 55 LYS HGx 1.0 2.0 5.8 424 424 A 60 PRO HDx A 60 PRO HGy 1.0 1.9 4.1 425 425 A 55 LYS HEy A 55 LYS HGx 1.0 1.8 3.4 426 426 A 49 LEU HG A 42 ASN HBx 1.0 2.0 6.0 427 427 A 58 TYR HBy A 49 LEU HG 1.0 2.0 6.0 428 428 A 60 PRO HBx A 60 PRO HGy 1.0 1.9 3.9 429 429 A 60 PRO HGx A 60 PRO HGy 1.0 1.4 2.4 430 430 A 31 LEU HBx A 31 LEU HBy 1.0 1.5 2.7 431 431 A 44 LEU HBx A 44 LEU HBy 1.0 1.4 2.2 432 432 A 47 GLN HBy A 47 GLN HBx 1.0 1.4 2.4 433 433 A 44 LEU HBx A 44 LEU HG 1.0 1.7 3.1 434 434 A 49 LEU HBy A 49 LEU HBx 1.0 1.6 2.6 435 435 A 10 PRO HBx A 10 PRO HBy 1.0 1.4 2.4 436 436 A 31 LEU HG A 31 LEU HBy 1.0 1.9 4.3 437 437 A 10 PRO HBx A 10 PRO HGx 1.0 1.8 3.4 438 438 A 44 LEU HDy% A 44 LEU HBy 1.0 1.9 3.9 439 439 A 9 VAL HB A 9 VAL HGx% 1.0 1.6 3.0 440 440 A 9 VAL HB A 9 VAL HGy% 1.0 1.6 3.0 441 441 A 59 VAL HGx% A 60 PRO HGy 1.0 2.0 6.0 442 442 A 44 LEU HG A 44 LEU HDy% 1.0 1.6 3.0 443 443 A 31 LEU HDx% A 31 LEU HBx 1.0 2.0 5.0 444 444 A 31 LEU HDx% A 31 LEU HBy 1.0 0.0 6.0 445 445 A 10 PRO HBx A 12 THR HG2% 1.0 2.0 5.8 446 446 A 59 VAL HGy% A 55 LYS HGx 1.0 0.0 6.0 447 447 A 49 LEU HG A 49 LEU HDy% 1.0 1.6 2.8 448 448 A 49 LEU HBx A 31 LEU HDy% 1.0 1.9 6.0 449 449 A 31 LEU HBx A 31 LEU HDy% 1.0 1.8 3.6 450 450 A 31 LEU HDy% A 31 LEU HBy 1.0 1.9 3.9 451 451 A 50 TYR HD% A 59 VAL HB 1.0 0.0 6.0 452 452 A 61 ALA HB% A 48 TYR HD% 1.0 0.0 6.0 453 453 A 50 TYR HD% A 61 ALA HB% 1.0 0.0 6.0 454 454 A 51 TRP HZ2 A 9 VAL HGx% 1.0 0.0 6.0 455 455 A 50 TYR HD% A 59 VAL HGx% 1.0 0.0 6.0 456 456 A 15 TYR HD% A 26 ASP HBy 1.0 2.0 5.8 457 457 A 50 TYR HE% A 59 VAL HB 1.0 2.0 5.6 458 458 A 40 TYR HE% A 10 PRO HBy 1.0 1.9 6.0 459 459 A 40 TYR HE% A 10 PRO HGx 1.0 2.0 6.0 460 460 A 40 TYR HE% A 10 PRO HGy 1.0 1.9 6.0 461 461 A 50 TYR HE% A 61 ALA HB% 1.0 0.0 6.0 462 462 A 15 TYR HE% A 10 PRO HGx 1.0 1.8 6.0 463 463 A 29 THR HG2% A 58 TYR HE% 1.0 0.0 6.0 464 464 A 6 LYS HA A 6 LYS HDx 1.0 2.0 5.2 465 465 A 2 ALA HB% A 2 ALA HA 1.0 0.0 6.0 466 466 A 55 LYS HA A 55 LYS HGy 1.0 1.9 4.7 467 467 A 55 LYS HA A 55 LYS HDx 1.0 1.8 3.8 468 468 A 44 LEU HDy% A 43 SER HBy 1.0 0.0 6.0 469 469 A 28 THR HA A 28 THR HG2% 1.0 1.7 3.3 470 470 A 9 VAL HA A 9 VAL HGy% 1.0 1.7 3.3 471 471 A 55 LYS HEy A 55 LYS HDx 1.0 1.8 4.0 472 472 A 55 LYS HEy A 55 LYS HDy 1.0 1.9 3.7 473 473 A 10 PRO HDx A 10 PRO HBy 1.0 2.0 5.6 474 474 A 10 PRO HDx A 10 PRO HGx 1.0 1.8 3.8 475 475 A 45 THR HG2% A 47 GLN HGy 1.0 2.0 5.4 476 476 A 10 PRO HDy A 10 PRO HBy 1.0 1.9 5.3 477 477 A 10 PRO HDy A 10 PRO HGx 1.0 2.0 5.2 478 478 A 10 PRO HDy A 10 PRO HGy 1.0 1.9 4.3 479 479 A 44 LEU HBx A 44 LEU HDx% 1.0 1.8 3.6 480 480 A 44 LEU HBx A 44 LEU HDy% 1.0 0.0 6.0 481 481 A 47 GLN HBy A 45 THR HG2% 1.0 0.0 6.0 482 482 A 10 PRO HBy A 10 PRO HGx 1.0 1.8 3.8 483 483 A 10 PRO HBy A 10 PRO HGy 1.0 1.8 3.6 484 484 A 59 VAL HGx% A 59 VAL HB 1.0 1.7 3.1 485 485 A 10 PRO HBy A 12 THR HG2% 1.0 0.0 6.0 486 486 A 59 VAL HGy% A 55 LYS HGy 1.0 0.0 6.0 487 487 A 31 LEU HDx% A 31 LEU HG 1.0 1.7 3.1 488 488 A 31 LEU HG A 31 LEU HDy% 1.0 1.7 3.3 489 489 A 40 TYR HD% A 31 LEU HDx% 1.0 0.0 6.0 490 490 A 7 TYR HD% A 57 THR HG2% 1.0 0.0 6.0 491 491 A 7 TYR HE% A 57 THR HG2% 1.0 0.0 6.0 492 492 A 33 TYR HD% A 12 THR HG2% 1.0 2.0 5.6 493 493 A 49 LEU HA A 49 LEU HDy% 1.0 1.9 4.5 494 494 A 58 TYR HA A 57 THR HG2% 1.0 2.0 6.0 495 495 A 60 PRO HA A 49 LEU HDy% 1.0 0.0 6.0 496 496 A 60 PRO HA A 49 LEU HDx% 1.0 1.8 3.8 497 497 A 31 LEU HDx% A 29 THR HA 1.0 1.9 6.0 498 498 A 31 LEU HDx% A 30 GLY HAx 1.0 0.0 6.0 499 499 A 60 PRO HDx A 49 LEU HDx% 1.0 2.0 4.4 500 500 A 49 LEU HDx% A 60 PRO HDy 1.0 2.0 6.0 501 501 A 60 PRO HDx A 59 VAL HGy% 1.0 1.9 5.5 502 502 A 12 THR HB A 12 THR HG2% 1.0 1.7 2.9 503 503 A 58 TYR HBy A 49 LEU HDy% 1.0 1.9 3.9 504 504 A 60 PRO HBx A 49 LEU HDx% 1.0 1.9 4.1 505 505 A 49 LEU HDx% A 60 PRO HGx 1.0 2.0 5.0 506 506 A 59 VAL HGy% A 52 ASP HBy 1.0 1.7 3.5 507 507 A 49 LEU HDx% A 60 PRO HBy 1.0 0.0 6.0 508 508 A 49 LEU HDx% A 60 PRO HGy 1.0 0.0 6.0 509 509 A 57 THR HG2% A 55 LYS HBx 1.0 1.7 3.1 510 510 A 49 LEU HBx A 49 LEU HDy% 1.0 1.7 3.3 511 511 A 49 LEU HBx A 49 LEU HDx% 1.0 0.0 6.0 512 512 A 49 LEU HBy A 49 LEU HDx% 1.0 0.0 6.0 513 513 A 59 VAL HGy% A 59 VAL HB 1.0 1.6 3.0 514 514 A 57 THR HG2% A 55 LYS HBy 1.0 1.8 3.6 515 515 A 59 VAL HGx% A 59 VAL HGy% 1.0 0.0 6.0 516 516 A 49 LEU HDy% A 31 LEU HDy% 1.0 0.0 6.0 517 517 A 31 LEU HDx% A 31 LEU HDy% 1.0 1.7 3.1 518 518 A 31 LEU HDy% A 58 TYR HE% 1.0 2.0 5.0 519 519 A 40 TYR HA A 31 LEU HDy% 1.0 1.9 6.0 520 520 A 40 TYR HBx A 31 LEU HDy% 1.0 2.0 5.4 521 521 A 42 ASN HBy A 31 LEU HDy% 1.0 2.0 6.0 522 522 A 29 THR HG2% A 31 LEU HDy% 1.0 0.0 6.0 523 523 A 31 LEU HBx A 31 LEU HG 1.0 1.8 3.6 524 524 A 44 LEU HA A 44 LEU HDx% 1.0 0.0 6.0 525 525 A 60 PRO HA A 49 LEU HG 1.0 2.0 5.0 526 526 A 49 LEU HA A 49 LEU HG 1.0 1.9 4.3 527 527 A 60 PRO HA A 60 PRO HGy 1.0 2.0 5.0 528 528 A 60 PRO HA A 60 PRO HGx 1.0 1.9 4.9 529 529 A 16 GLN HBx A 16 GLN HBy 1.0 1.2 2.2 530 530 A 22 GLY HAx A 17 TYR HE% 1.0 2.0 5.4 531 531 A 30 GLY HAy A 30 GLY HAx 1.0 1.5 2.5 532 532 A 51 TRP HD1 A 53 GLY HAy 1.0 2.0 6.0 533 533 A 53 GLY HAx A 56 GLU HA 1.0 1.9 6.0 534 534 A 51 TRP HD1 A 53 GLY HAx 1.0 2.0 6.0 535 535 A 39 TYR HD% A 37 SER HA 1.0 0.0 6.0 536 536 A 43 SER HBx A 43 SER HBy 1.0 1.4 2.2 537 537 A 64 SER HA A 64 SER HBy 1.0 1.7 3.1 538 538 A 34 ASP HA A 34 ASP HBy 1.0 1.8 3.4 539 539 A 47 GLN HGy A 47 GLN HBx 1.0 1.7 3.5 540 540 A 51 TRP HH2 A 56 GLU HBx 1.0 2.0 5.4 541 541 A 6 LYS HBx A 6 LYS HBy 1.0 1.2 2.2 542 542 A 55 LYS HEy A 55 LYS HGy 1.0 1.8 3.6 543 543 A 6 LYS HGx A 6 LYS HEy 1.0 1.9 4.3 544 544 A 6 LYS HGx A 6 LYS HBy 1.0 0.0 6.0 545 545 A 6 LYS HDx A 6 LYS HEy 1.0 1.9 4.1 546 546 A 27 PRO HA A 27 PRO HBy 1.0 1.8 4.0 547 547 A 58 TYR HBy A 58 TYR HBx 1.0 1.4 2.2 548 548 A 50 TYR HBx A 50 TYR HBy 1.0 1.6 2.6 549 549 A 41 TYR HBy A 41 TYR HBx 1.0 1.5 2.3 550 550 A 41 TYR HBy A 48 TYR HD% 1.0 0.0 6.0 551 551 A 48 TYR HD% A 41 TYR HBx 1.0 2.0 5.6 552 552 A 40 TYR HD% A 40 TYR HA 1.0 1.9 4.3 553 553 A 15 TYR HBy A 15 TYR HBx 1.0 1.4 2.2 554 554 A 24 TYR HBx A 24 TYR HBy 1.0 1.6 2.8 555 555 A 23 TYR HD% A 23 TYR HBy 1.0 1.9 4.1 556 556 A 42 ASN HA A 31 LEU HA 1.0 1.8 4.0 557 557 A 43 SER HA A 46 GLN HA 1.0 1.9 3.7 558 558 A 15 TYR HA A 26 ASP HA 1.0 1.8 3.4 559 559 A 15 TYR HE% A 15 TYR HBy 1.0 2.0 6.0 560 560 A 27 PRO HDy A 15 TYR HBx 1.0 1.7 6.0 561 561 A 15 TYR HBy A 12 THR HB 1.0 1.9 6.0 562 562 A 15 TYR HBy A 12 THR HA 1.0 1.8 6.0 563 563 A 26 ASP HBy A 15 TYR HBx 1.0 1.7 6.0 564 564 A 24 TYR HD% A 17 TYR HBx 1.0 0.0 6.0 565 565 A 25 TYR HBy A 25 TYR HE% 1.0 2.0 6.0 566 566 A 32 TYR HE% A 25 TYR HBy 1.0 0.0 6.0 567 567 A 32 TYR HD% A 25 TYR HBy 1.0 2.0 6.0 568 568 A 32 TYR HD% A 32 TYR HBx 1.0 0.0 6.0 569 569 A 32 TYR HE% A 32 TYR HBx 1.0 0.0 6.0 570 570 A 37 SER HBx A 36 ASN HBy 1.0 2.0 6.0 571 571 A 37 SER HBy B 106 PRO HBy 1.0 2.0 5.8 572 572 A 21 SER HA A 23 TYR HE% 1.0 2.0 6.0 573 573 A 32 TYR HE% A 43 SER HBy 1.0 0.0 6.0 574 574 A 51 TRP HZ2 A 9 VAL HB 1.0 2.0 6.0 575 575 A 60 PRO HGx A 59 VAL HB 1.0 1.9 6.0 576 576 A 50 TYR HE% A 59 VAL HGx% 1.0 0.0 6.0 577 577 A 59 VAL HGx% A 60 PRO HGx 1.0 2.0 6.0 578 578 A 60 PRO HDx A 59 VAL HGx% 1.0 1.9 4.3 579 579 A 59 VAL HGx% A 60 PRO HDy 1.0 1.9 4.1 580 580 A 37 SER HA A 36 ASN HBy 1.0 2.0 6.0 581 581 A 42 ASN HA A 31 LEU HDy% 1.0 2.0 6.0 582 582 A 11 ASP HBy A 14 THR HG2% 1.0 1.9 4.3 583 583 A 11 ASP HA A 14 THR HG2% 1.0 0.0 6.0 584 584 A 27 PRO HDy A 26 ASP HBx 1.0 1.9 6.0 585 585 A 15 TYR HD% A 26 ASP HBx 1.0 1.9 6.0 586 586 A 35 PRO HDx A 34 ASP HBx 1.0 2.0 6.0 587 587 A 35 PRO HDy A 34 ASP HBy 1.0 1.9 6.0 588 588 A 35 PRO HDx A 34 ASP HBy 1.0 1.9 6.0 589 589 A 34 ASP HA A 23 TYR HE% 1.0 0.0 6.0 590 590 A 52 ASP HBx A 55 LYS HBx 1.0 2.0 6.0 591 591 A 50 TYR HE% A 52 ASP HBx 1.0 0.0 6.0 592 592 A 50 TYR HD% A 52 ASP HA 1.0 0.0 6.0 593 593 A 57 THR HB A 55 LYS HBy 1.0 1.9 6.0 594 594 A 47 GLN HBy A 45 THR HB 1.0 2.0 5.6 595 595 A 7 TYR HE% A 29 THR HG2% 1.0 0.0 6.0 596 596 A 7 TYR HD% A 29 THR HG2% 1.0 0.0 6.0 597 597 A 15 TYR HD% A 14 THR HB 1.0 0.0 6.0 598 598 A 15 TYR HE% A 12 THR HB 1.0 0.0 6.0 599 599 A 15 TYR HD% A 12 THR HB 1.0 0.0 6.0 600 600 A 15 TYR HE% A 12 THR HG2% 1.0 0.0 6.0 601 601 A 15 TYR HE% A 10 PRO HBy 1.0 2.0 6.0 602 602 A 40 TYR HE% A 10 PRO HBx 1.0 2.0 6.0 603 603 A 58 TYR HE% A 10 PRO HGy 1.0 1.9 6.0 604 604 A 40 TYR HE% A 10 PRO HDx 1.0 0.0 6.0 605 605 A 51 TRP HZ2 A 10 PRO HDx 1.0 1.9 6.0 606 606 A 49 LEU HA A 60 PRO HBy 1.0 1.8 6.0 607 607 A 33 TYR HD% A 35 PRO HBx 1.0 1.9 6.0 608 608 A 25 TYR HE% A 27 PRO HBy 1.0 0.0 6.0 609 609 A 27 PRO HDy A 25 TYR HE% 1.0 0.0 6.0 610 610 A 31 LEU HDx% A 58 TYR HE% 1.0 0.0 6.0 611 611 A 31 LEU HDx% A 58 TYR HD% 1.0 0.0 6.0 612 612 A 40 TYR HE% A 31 LEU HDx% 1.0 0.0 6.0 613 613 A 40 TYR HE% A 31 LEU HBx 1.0 2.0 6.0 614 614 A 49 LEU HBy A 31 LEU HDy% 1.0 0.0 6.0 615 615 A 49 LEU HG A 31 LEU HDy% 1.0 0.0 6.0 616 616 A 49 LEU HDx% A 31 LEU HDy% 1.0 0.0 6.0 617 617 A 49 LEU HDy% A 58 TYR HD% 1.0 1.9 6.0 618 618 A 16 GLN HBx A 25 TYR HE% 1.0 0.0 6.0 619 619 A 27 PRO HDy A 16 GLN HGy 1.0 0.0 6.0 620 620 A 27 PRO HDy A 16 GLN HBx 1.0 2.0 5.6 621 621 A 24 TYR HD% A 16 GLN HBy 1.0 0.0 6.0 622 622 A 35 PRO HA A 38 GLN HGy 1.0 1.9 5.3 623 623 A 49 LEU HDx% A 47 GLN HBy 1.0 0.0 6.0 624 624 A 49 LEU HDx% A 47 GLN HBx 1.0 1.9 4.5 625 625 A 57 THR HG2% A 55 LYS HGy 1.0 2.0 6.0 626 626 A 57 THR HG2% A 55 LYS HGx 1.0 2.0 5.4 627 627 A 57 THR HG2% A 55 LYS HDx 1.0 2.0 6.0 628 628 A 57 THR HG2% A 55 LYS HDy 1.0 2.0 6.0 629 629 A 50 TYR HD% A 50 TYR HBy 1.0 1.8 3.8 630 630 A 40 TYR HD% A 50 TYR HBx 1.0 0.0 6.0 631 631 A 40 TYR HD% A 32 TYR HBy 1.0 0.0 6.0 632 632 A 48 TYR HBx A 49 LEU HG 1.0 0.0 6.0 633 633 A 41 TYR HE% A 41 TYR HA 1.0 2.0 6.0 634 634 A 48 TYR HE% A 41 TYR HA 1.0 0.0 6.0 635 635 A 40 TYR HD% A 33 TYR HBy 1.0 0.0 6.0 636 636 A 40 TYR HE% A 33 TYR HA 1.0 2.0 6.0 637 637 A 40 TYR HA A 33 TYR HE% 1.0 0.0 6.0 638 638 A 23 TYR HBx A 32 TYR HBx 1.0 0.0 6.0 639 639 A 32 TYR HA A 25 TYR HD% 1.0 0.0 6.0 640 640 A 25 TYR HD% A 27 PRO HBy 1.0 0.0 6.0 641 641 A 32 TYR HD% A 25 TYR HA 1.0 0.0 6.0 642 642 A 24 TYR HE% A 12 THR HG2% 1.0 2.0 5.0 643 643 A 23 TYR HA A 23 TYR HE% 1.0 0.0 6.0 644 644 A 17 TYR HA A 24 TYR HBy 1.0 2.0 6.0 645 645 A 24 TYR HA A 17 TYR HBx 1.0 2.0 6.0 646 646 A 15 TYR HBy A 26 ASP HBy 1.0 1.6 6.0 647 647 A 7 TYR HE% A 7 TYR HBx 1.0 0.0 6.0 648 648 A 7 TYR HA A 7 TYR HE% 1.0 0.0 6.0 649 649 A 57 THR HA A 7 TYR HBy 1.0 0.0 6.0 650 650 A 7 TYR HBx A 8 ALA HB% 1.0 2.0 6.0 651 651 A 7 TYR HBx A 8 ALA HA 1.0 2.0 6.0 652 652 A 8 ALA HA A 9 VAL HGx% 1.0 0.0 6.0 653 653 A 8 ALA HA A 9 VAL HGy% 1.0 0.0 6.0 654 654 A 57 THR HA A 7 TYR HE% 1.0 0.0 6.0 655 655 A 7 TYR HD% A 7 TYR HBx 1.0 0.0 6.0 656 656 A 7 TYR HD% A 7 TYR HBy 1.0 0.0 6.0 657 657 A 51 TRP HD1 A 8 ALA HB% 1.0 0.0 6.0 658 658 A 57 THR HA A 51 TRP HH2 1.0 2.0 5.6 659 659 A 57 THR HA A 51 TRP HZ3 1.0 1.9 4.1 660 660 A 57 THR HA A 51 TRP HE3 1.0 1.9 6.0 661 661 A 51 TRP HH2 A 9 VAL HGx% 1.0 0.0 6.0 662 662 A 51 TRP HBy A 10 PRO HGx 1.0 2.0 6.0 663 663 A 51 TRP HBx A 10 PRO HGy 1.0 1.8 6.0 664 664 A 51 TRP HZ3 A 51 TRP HBy 1.0 1.6 6.0 665 665 A 51 TRP HZ3 A 51 TRP HBx 1.0 0.0 6.0 666 666 A 7 TYR HE% A 57 THR HB 1.0 0.0 6.0 667 667 A 7 TYR HD% A 57 THR HB 1.0 0.0 6.0 668 668 A 21 SER HBx B 108 ILE HG12 1.0 1.7 6.0 669 669 A 21 SER HA B 108 ILE HG21 1.0 1.7 6.0 670 670 A 21 SER HA B 108 ILE HD1% 1.0 1.5 6.0 671 671 A 21 SER HBx B 108 ILE HB 1.0 1.9 6.0 672 672 A 21 SER HA B 107 GLY HAy 1.0 0.0 6.0 673 673 A 21 SER HA B 108 ILE HA 1.0 2.0 4.6 674 674 A 21 SER HBx B 108 ILE HA 1.0 2.0 6.0 675 675 A 36 ASN HBy A 37 SER HBy 1.0 1.9 6.0 676 676 A 43 SER HA B 102 ARG HGy 1.0 1.8 6.0 677 677 A 43 SER HBy B 102 ARG HGy 1.0 0.0 6.0 678 678 A 43 SER HBx B 103 PRO HGx 1.0 1.8 6.0 679 679 A 43 SER HBy B 102 ARG HDy 1.0 2.0 6.0 680 680 A 41 TYR HD% A 46 GLN HGx 1.0 0.0 6.0 681 681 A 41 TYR HE% A 32 TYR HBx 1.0 0.0 6.0 682 682 A 48 TYR HA B 103 PRO HBx 1.0 1.7 6.0 683 683 A 37 SER HA B 106 PRO HBy 1.0 0.0 6.0 684 684 A 36 ASN HBy B 109 ARG HDy 1.0 0.0 6.0 685 685 A 36 ASN HBx B 109 ARG HDy 1.0 0.0 6.0 686 686 A 34 ASP H A 39 TYR H 1.0 0.0 6.0 687 687 A 40 TYR HA A 34 ASP H 1.0 0.0 6.0 688 688 A 33 TYR HA A 34 ASP H 1.0 0.0 6.0 689 689 A 34 ASP HBx A 34 ASP H 1.0 0.0 6.0 690 690 A 34 ASP HBy A 34 ASP H 1.0 0.0 6.0 691 691 A 26 ASP H A 25 TYR H 1.0 2.0 5.8 692 692 A 16 GLN HA A 17 TYR H 1.0 1.5 2.7 693 693 A 26 ASP HA A 26 ASP H 1.0 1.6 3.0 694 694 A 17 TYR HA A 17 TYR H 1.0 1.9 4.7 695 695 A 17 TYR HBx A 17 TYR H 1.0 1.8 3.6 696 696 A 25 TYR HBy A 26 ASP H 1.0 0.0 6.0 697 697 A 26 ASP HBx A 26 ASP H 1.0 1.8 3.6 698 698 A 26 ASP HBy A 26 ASP H 1.0 1.9 4.1 699 699 A 61 ALA H A 50 TYR H 1.0 2.0 5.8 700 700 A 42 ASN H A 43 SER H 1.0 2.0 6.0 701 701 A 41 TYR HA A 42 ASN H 1.0 1.6 2.8 702 702 A 60 PRO HA A 61 ALA H 1.0 1.6 2.8 703 703 A 61 ALA HA A 61 ALA H 1.0 0.0 6.0 704 704 A 42 ASN HBx A 42 ASN H 1.0 0.0 6.0 705 705 A 42 ASN HBy A 42 ASN H 1.0 1.9 4.3 706 706 A 19 GLU H A 22 GLY H 1.0 2.0 6.0 707 707 A 19 GLU H A 20 SER H 1.0 1.7 3.3 708 708 A 8 ALA HA A 8 ALA H 1.0 1.8 4.0 709 709 A 7 TYR HBx A 8 ALA H 1.0 0.0 6.0 710 710 A 19 GLU HBx A 19 GLU H 1.0 1.8 3.4 711 711 A 8 ALA H A 6 LYS HGy 1.0 0.0 6.0 712 712 A 8 ALA HB% A 8 ALA H 1.0 1.7 3.3 713 713 A 58 TYR HA A 59 VAL H 1.0 1.8 3.8 714 714 A 59 VAL HA A 59 VAL H 1.0 1.9 4.9 715 715 A 58 TYR HBy A 59 VAL H 1.0 2.0 6.0 716 716 A 6 LYS HBx A 6 LYS H 1.0 1.9 4.1 717 717 A 59 VAL HGx% A 59 VAL H 1.0 0.0 6.0 718 718 A 59 VAL HGy% A 59 VAL H 1.0 1.9 4.5 719 719 A 25 TYR H A 16 GLN H 1.0 1.8 3.4 720 720 A 61 ALA H A 62 ALA H 1.0 1.8 3.8 721 721 A 24 TYR HA A 25 TYR H 1.0 1.7 3.1 722 722 A 62 ALA HA A 62 ALA H 1.0 1.7 3.1 723 723 A 25 TYR HBy A 25 TYR H 1.0 0.0 6.0 724 724 A 62 ALA HB% A 62 ALA H 1.0 1.7 3.3 725 725 A 61 ALA HB% A 62 ALA H 1.0 0.0 6.0 726 726 A 44 LEU H A 46 GLN H 1.0 1.9 4.5 727 727 A 44 LEU H A 45 THR H 1.0 1.6 2.8 728 728 A 25 TYR HA A 25 TYR H 1.0 1.9 4.3 729 729 A 49 LEU HDx% A 49 LEU H 1.0 0.0 6.0 730 730 A 33 TYR H A 24 TYR H 1.0 1.8 3.8 731 731 A 49 LEU H A 48 TYR H 1.0 2.0 6.0 732 732 A 41 TYR H A 32 TYR H 1.0 1.9 3.9 733 733 A 64 SER H A 63 GLU H 1.0 1.9 5.1 734 734 A 48 TYR HA A 49 LEU H 1.0 1.7 3.3 735 735 A 32 TYR HA A 33 TYR H 1.0 0.0 6.0 736 736 A 41 TYR HA A 41 TYR H 1.0 1.9 4.1 737 737 A 33 TYR HA A 33 TYR H 1.0 1.9 4.1 738 738 A 7 TYR HA A 7 TYR H 1.0 1.7 3.1 739 739 A 6 LYS HA A 7 TYR H 1.0 1.7 3.3 740 740 A 64 SER HBy A 64 SER H 1.0 1.9 4.9 741 741 A 7 TYR HBx A 7 TYR H 1.0 0.0 6.0 742 742 A 41 TYR HBx A 41 TYR H 1.0 0.0 6.0 743 743 A 7 TYR HBy A 7 TYR H 1.0 0.0 6.0 744 744 A 33 TYR HBy A 33 TYR H 1.0 0.0 6.0 745 745 A 41 TYR HBy A 41 TYR H 1.0 2.0 5.2 746 746 A 58 TYR H A 57 THR H 1.0 0.0 6.0 747 747 A 15 TYR HA A 15 TYR H 1.0 0.0 6.0 748 748 A 11 ASP HA A 11 ASP H 1.0 1.9 4.1 749 749 A 26 ASP HA A 15 TYR H 1.0 0.0 6.0 750 750 A 58 TYR HA A 58 TYR H 1.0 1.9 4.7 751 751 A 10 PRO HA A 11 ASP H 1.0 1.6 2.8 752 752 A 15 TYR HBy A 15 TYR H 1.0 0.0 6.0 753 753 A 58 TYR HBy A 58 TYR H 1.0 0.0 6.0 754 754 A 63 GLU HBy A 63 GLU H 1.0 1.8 4.0 755 755 A 10 PRO HBx A 11 ASP H 1.0 2.0 5.6 756 756 A 57 THR HG2% A 58 TYR H 1.0 2.0 5.6 757 757 A 54 GLU H A 53 GLY H 1.0 1.8 3.6 758 758 A 8 ALA H A 9 VAL H 1.0 2.0 5.0 759 759 A 54 GLU H A 56 GLU H 1.0 1.9 4.5 760 760 A 54 GLU H A 55 LYS H 1.0 1.6 2.8 761 761 A 24 TYR HA A 16 GLN H 1.0 1.9 4.5 762 762 A 26 ASP HA A 16 GLN H 1.0 2.0 5.8 763 763 A 9 VAL HA A 9 VAL H 1.0 1.8 3.8 764 764 A 16 GLN HBx A 16 GLN H 1.0 1.9 3.9 765 765 A 54 GLU HGx A 54 GLU H 1.0 0.0 6.0 766 766 A 54 GLU HGy A 54 GLU H 1.0 0.0 6.0 767 767 A 9 VAL HB A 9 VAL H 1.0 1.7 3.3 768 768 A 8 ALA HB% A 9 VAL H 1.0 1.8 3.4 769 769 A 9 VAL HGx% A 9 VAL H 1.0 1.7 3.5 770 770 A 43 SER H A 32 TYR H 1.0 2.0 6.0 771 771 A 43 SER H A 45 THR H 1.0 2.0 6.0 772 772 A 31 LEU H A 29 THR H 1.0 2.0 4.8 773 773 A 31 LEU HA A 31 LEU H 1.0 1.9 4.1 774 774 A 43 SER HBx A 43 SER H 1.0 1.8 3.4 775 775 A 43 SER HA A 43 SER H 1.0 1.8 3.6 776 776 A 24 TYR H A 23 TYR H 1.0 2.0 5.8 777 777 A 22 GLY H A 23 TYR H 1.0 1.7 2.9 778 778 A 40 TYR HA A 40 TYR H 1.0 0.0 6.0 779 779 A 23 TYR HA A 23 TYR H 1.0 0.0 6.0 780 780 A 13 SER HBy A 13 SER H 1.0 1.8 3.6 781 781 A 23 TYR HBx A 23 TYR H 1.0 2.0 5.0 782 782 A 23 TYR HBy A 23 TYR H 1.0 1.7 3.5 783 783 A 40 TYR H A 40 TYR HBy 1.0 2.0 6.0 784 784 A 12 THR HA A 13 SER H 1.0 2.0 4.8 785 785 A 14 THR HG2% A 13 SER H 1.0 2.0 6.0 786 786 A 50 TYR H A 59 VAL H 1.0 1.8 3.8 787 787 A 56 GLU H A 55 LYS H 1.0 1.8 3.4 788 788 A 55 LYS HDx A 55 LYS H 1.0 2.0 4.6 789 789 A 46 GLN HA A 46 GLN H 1.0 1.6 2.8 790 790 A 24 TYR HBx A 24 TYR H 1.0 2.0 4.6 791 791 A 24 TYR HBy A 24 TYR H 1.0 1.9 3.9 792 792 A 46 GLN HGy A 46 GLN H 1.0 2.0 5.2 793 793 A 48 TYR H A 47 GLN H 1.0 2.0 5.8 794 794 A 42 ASN H A 47 GLN H 1.0 1.9 4.1 795 795 A 46 GLN H A 47 GLN H 1.0 1.6 3.2 796 796 A 57 THR H A 56 GLU H 1.0 2.0 4.4 797 797 A 32 TYR HA A 32 TYR H 1.0 0.0 6.0 798 798 A 36 ASN HA A 36 ASN H 1.0 0.0 6.0 799 799 A 32 TYR HBx A 32 TYR H 1.0 0.0 6.0 800 800 A 56 GLU HA A 56 GLU H 1.0 1.9 3.9 801 801 A 36 ASN HBx A 36 ASN H 1.0 0.0 6.0 802 802 A 36 ASN HBy A 36 ASN H 1.0 0.0 6.0 803 803 A 56 GLU HBx A 56 GLU H 1.0 2.0 5.8 804 804 A 47 GLN HGy A 47 GLN H 1.0 1.9 4.3 805 805 A 47 GLN HBx A 47 GLN H 1.0 2.0 4.8 806 806 A 47 GLN HBy A 47 GLN H 1.0 1.8 3.8 807 807 A 39 TYR H A 40 TYR H 1.0 2.0 6.0 808 808 A 39 TYR H A 38 GLN H 1.0 1.7 3.1 809 809 A 39 TYR HA A 39 TYR H 1.0 0.0 6.0 810 810 A 38 GLN HA A 39 TYR H 1.0 1.9 3.9 811 811 A 39 TYR HBy A 39 TYR H 1.0 1.9 4.5 812 812 A 38 GLN H A 37 SER H 1.0 1.6 2.8 813 813 A 5 THR HA A 5 THR H 1.0 1.8 3.8 814 814 A 38 GLN HA A 38 GLN H 1.0 1.6 3.0 815 815 A 38 GLN HGx A 38 GLN H 1.0 0.0 6.0 816 816 A 22 GLY H A 21 SER H 1.0 1.5 2.5 817 817 A 20 SER H A 21 SER H 1.0 1.7 3.1 818 818 A 21 SER HA A 21 SER H 1.0 1.8 3.8 819 819 A 21 SER HBx A 21 SER H 1.0 1.9 4.3 820 820 A 37 SER HA A 37 SER H 1.0 1.9 3.9 821 821 A 20 SER H A 20 SER HA 1.0 1.7 3.1 822 822 A 19 GLU HA A 20 SER H 1.0 1.9 4.7 823 823 A 31 LEU H A 30 GLY H 1.0 1.7 3.3 824 824 A 29 THR H A 30 GLY H 1.0 1.5 2.7 825 825 A 29 THR H A 28 THR H 1.0 1.7 3.1 826 826 A 22 GLY HAx A 22 GLY H 1.0 1.9 4.1 827 827 A 28 THR HA A 28 THR H 1.0 1.7 3.5 828 828 A 28 THR HG2% A 28 THR H 1.0 0.0 6.0 829 829 A 13 SER H A 14 THR H 1.0 1.8 3.4 830 830 A 14 THR HA A 14 THR H 1.0 1.8 4.0 831 831 A 29 THR HA A 29 THR H 1.0 1.8 3.6 832 832 A 29 THR HB A 29 THR H 1.0 2.0 5.4 833 833 A 29 THR HG2% A 29 THR H 1.0 1.8 3.8 834 834 A 46 GLN H A 45 THR H 1.0 1.6 2.6 835 835 A 44 LEU HA A 44 LEU H 1.0 1.9 4.5 836 836 A 28 THR HB A 28 THR H 1.0 1.8 3.6 837 837 A 45 THR HA A 45 THR H 1.0 1.9 4.3 838 838 A 45 THR HG2% A 45 THR H 1.0 1.9 4.3 839 839 A 13 SER HA A 13 SER H 1.0 1.8 3.6 840 840 A 37 SER HBx A 37 SER H 1.0 1.9 4.1 841 841 A 42 ASN HA A 42 ASN H 1.0 0.0 6.0 842 842 A 11 ASP HBx A 11 ASP H 1.0 1.9 4.1 843 843 A 11 ASP HBy A 11 ASP H 1.0 1.8 3.6 844 844 A 25 TYR H A 18 ASP H 1.0 2.0 5.2 845 845 A 17 TYR H A 18 ASP H 1.0 2.0 6.0 846 846 A 19 GLU H A 18 ASP H 1.0 2.0 6.0 847 847 A 24 TYR HA A 18 ASP H 1.0 1.9 4.3 848 848 A 18 ASP HA A 18 ASP H 1.0 1.9 4.7 849 849 A 17 TYR HA A 18 ASP H 1.0 1.7 3.1 850 850 A 18 ASP HBx A 18 ASP H 1.0 1.9 4.7 851 851 A 18 ASP HBy A 18 ASP H 1.0 0.0 6.0 852 852 A 53 GLY H A 52 ASP H 1.0 2.0 5.8 853 853 A 52 ASP HA A 52 ASP H 1.0 2.0 4.6 854 854 A 51 TRP HA A 52 ASP H 1.0 1.7 3.3 855 855 A 52 ASP HBy A 52 ASP H 1.0 1.9 4.5 856 856 A 16 GLN HA A 16 GLN H 1.0 0.0 6.0 857 857 A 47 GLN HA A 47 GLN H 1.0 1.9 4.5 858 858 A 19 GLU HA A 19 GLU H 1.0 1.9 4.3 859 859 A 54 GLU HA A 54 GLU H 1.0 1.8 3.8 860 860 A 49 LEU HG A 49 LEU H 1.0 1.9 4.3 861 861 A 50 TYR HA A 50 TYR H 1.0 1.8 4.0 862 862 A 50 TYR HBy A 50 TYR H 1.0 2.0 6.0 863 863 A 50 TYR HBx A 50 TYR H 1.0 2.0 4.8 864 864 A 48 TYR HA A 48 TYR H 1.0 0.0 6.0 865 865 A 39 TYR HA A 40 TYR H 1.0 0.0 6.0 866 866 A 30 GLY HAy A 30 GLY H 1.0 1.7 3.5 867 867 A 30 GLY HAx A 30 GLY H 1.0 1.9 4.5 868 868 A 30 GLY H A 28 THR H 1.0 1.9 4.5 869 869 A 22 GLY HAy A 22 GLY H 1.0 1.7 3.3 870 870 A 7 TYR HBy A 8 ALA H 1.0 2.0 5.6 871 871 A 60 PRO HBx A 61 ALA H 1.0 2.0 5.6 872 872 A 36 ASN H A 37 SER H 1.0 0.0 6.0 873 873 A 10 PRO HBy A 11 ASP H 1.0 2.0 5.4 874 874 A 34 ASP H A 33 TYR H 1.0 1.9 6.0 875 875 A 61 ALA HB% A 61 ALA H 1.0 0.0 6.0 876 876 A 23 TYR H A 21 SER H 1.0 2.0 5.6 877 877 A 7 TYR HD% A 7 TYR HE% 1.0 0.0 6.0 878 878 A 40 TYR HD% A 33 TYR HE% 1.0 0.0 6.0 879 879 A 48 TYR HD% B 106 PRO HBx 1.0 0.0 6.0 880 880 A 32 TYR HD% B 108 ILE HG21 1.0 0.0 6.0 881 881 A 32 TYR HD% B 108 ILE HD1% 1.0 0.0 6.0 882 882 A 24 TYR HA A 24 TYR HD% 1.0 2.0 5.0 883 883 A 24 TYR HD% A 35 PRO HDx 1.0 1.9 4.7 884 884 A 24 TYR HBx A 24 TYR HD% 1.0 1.9 4.1 885 885 A 51 TRP HZ2 A 51 TRP HH2 1.0 1.8 3.4 886 886 A 51 TRP HZ3 A 51 TRP HZ2 1.0 2.0 6.0 887 887 A 51 TRP HZ2 A 56 GLU HA 1.0 2.0 4.6 888 888 A 50 TYR HD% A 50 TYR HE% 1.0 1.5 2.5 889 889 A 50 TYR HD% A 51 TRP HA 1.0 2.0 6.0 890 890 A 50 TYR HD% A 50 TYR HBx 1.0 1.8 3.4 891 891 A 50 TYR HD% A 59 VAL HGy% 1.0 1.9 4.5 892 892 A 23 TYR HD% A 23 TYR HE% 1.0 0.0 6.0 893 893 A 51 TRP HD1 A 51 TRP HBx 1.0 1.8 3.8 894 894 A 51 TRP HE3 A 51 TRP HH2 1.0 1.8 6.0 895 895 A 51 TRP HH2 A 56 GLU HA 1.0 1.9 4.9 896 896 A 7 TYR HBy A 51 TRP HH2 1.0 2.0 5.2 897 897 A 51 TRP HH2 A 56 GLU HBy 1.0 2.0 5.6 898 898 A 24 TYR HE% A 24 TYR HD% 1.0 1.5 2.5 899 899 A 40 TYR HD% A 40 TYR HE% 1.0 1.5 2.5 900 900 A 32 TYR HD% A 32 TYR HE% 1.0 0.0 6.0 901 901 A 48 TYR HE% A 48 TYR HD% 1.0 1.5 2.5 902 902 A 24 TYR HE% A 17 TYR HE% 1.0 0.0 6.0 903 903 A 24 TYR HE% A 17 TYR HD% 1.0 0.0 6.0 904 904 A 40 TYR HE% A 33 TYR HD% 1.0 1.9 4.9 905 905 A 40 TYR HE% A 58 TYR HE% 1.0 2.0 4.8 906 906 A 50 TYR HA A 40 TYR HE% 1.0 2.0 6.0 907 907 A 48 TYR HE% A 41 TYR HD% 1.0 0.0 6.0 908 908 A 50 TYR HE% A 52 ASP HA 1.0 1.9 4.1 909 909 A 48 TYR HE% B 104 PRO HDx 1.0 0.0 6.0 910 910 A 48 TYR HE% A 39 TYR HBx 1.0 0.0 6.0 911 911 A 24 TYR HE% A 24 TYR HBx 1.0 1.9 6.0 912 912 A 24 TYR HE% A 24 TYR HBy 1.0 2.0 6.0 913 913 A 40 TYR HE% A 51 TRP HBx 1.0 1.9 4.5 914 914 A 40 TYR HE% A 51 TRP HBy 1.0 1.9 4.3 915 915 A 24 TYR HE% A 35 PRO HBx 1.0 2.0 5.8 916 916 A 48 TYR HE% A 41 TYR HBx 1.0 2.0 4.8 917 917 A 48 TYR HE% A 41 TYR HBy 1.0 2.0 5.0 918 918 A 24 TYR HE% A 35 PRO HGy 1.0 1.9 4.1 919 919 A 48 TYR HE% B 104 PRO HGy 1.0 0.0 6.0 920 920 A 48 TYR HE% B 102 ARG HBy 1.0 0.0 6.0 921 921 A 40 TYR HE% A 31 LEU HDy% 1.0 2.0 5.8 922 922 A 23 TYR HE% B 105 PRO HA 1.0 0.0 6.0 923 923 A 23 TYR HE% B 105 PRO HDy 1.0 0.0 6.0 924 924 A 23 TYR HBy A 23 TYR HE% 1.0 0.0 6.0 925 925 A 39 TYR HE% B 109 ARG HGx 1.0 0.0 6.0 926 926 A 23 TYR HE% B 104 PRO HGy 1.0 0.0 6.0 927 927 A 23 TYR HE% B 104 PRO HBy 1.0 0.0 6.0 928 928 A 50 TYR HE% A 59 VAL HGy% 1.0 1.8 4.0 929 929 A 23 TYR HE% B 108 ILE HG21 1.0 0.0 6.0 930 930 A 40 TYR HE% A 58 TYR HD% 1.0 0.0 6.0 931 931 A 17 TYR HE% A 17 TYR HD% 1.0 1.6 2.8 932 932 A 58 TYR HD% A 58 TYR HE% 1.0 1.7 3.3 933 933 A 24 TYR HA A 17 TYR HD% 1.0 2.0 5.0 934 934 A 17 TYR HA A 17 TYR HD% 1.0 1.8 3.6 935 935 A 58 TYR HD% A 51 TRP HBy 1.0 1.9 4.9 936 936 A 17 TYR HBy A 17 TYR HD% 1.0 1.8 3.6 937 937 A 49 LEU HBx A 58 TYR HD% 1.0 1.9 5.3 938 938 A 49 LEU HDx% A 58 TYR HD% 1.0 2.0 5.8 939 939 A 58 TYR HD% A 31 LEU HDy% 1.0 2.0 5.2 940 940 A 51 TRP HZ3 A 51 TRP HE3 1.0 1.9 4.7 941 941 A 24 TYR HD% A 15 TYR HE% 1.0 0.0 6.0 942 942 A 15 TYR HD% A 15 TYR HE% 1.0 1.6 2.8 943 943 A 15 TYR HE% A 33 TYR HBx 1.0 1.9 4.5 944 944 A 15 TYR HE% A 26 ASP HBx 1.0 1.9 4.7 945 945 A 15 TYR HE% A 10 PRO HBx 1.0 2.0 6.0 946 946 A 15 TYR HE% A 26 ASP HBy 1.0 2.0 4.6 947 947 A 40 TYR HE% A 33 TYR HE% 1.0 0.0 6.0 948 948 A 15 TYR HD% A 25 TYR HE% 1.0 0.0 6.0 949 949 A 48 TYR HE% A 41 TYR HE% 1.0 0.0 6.0 950 950 A 25 TYR HD% A 25 TYR HE% 1.0 1.5 2.7 951 951 A 33 TYR HD% A 33 TYR HE% 1.0 1.6 3.0 952 952 A 33 TYR HA A 33 TYR HE% 1.0 2.0 6.0 953 953 A 25 TYR HA A 25 TYR HE% 1.0 2.0 6.0 954 954 A 41 TYR HE% A 47 GLN HA 1.0 2.0 5.6 955 955 A 41 TYR HE% B 106 PRO HA 1.0 0.0 6.0 956 956 A 30 GLY HAy A 25 TYR HE% 1.0 1.8 3.8 957 957 A 41 TYR HE% B 104 PRO HDx 1.0 0.0 6.0 958 958 A 41 TYR HE% B 102 ARG HDy 1.0 2.0 6.0 959 959 A 17 TYR HBy A 17 TYR HE% 1.0 2.0 6.0 960 960 A 17 TYR HE% A 19 GLU HGy 1.0 1.8 3.8 961 961 A 33 TYR HBx A 33 TYR HE% 1.0 2.0 6.0 962 962 A 33 TYR HE% A 35 PRO HBx 1.0 1.9 4.1 963 963 A 41 TYR HE% A 41 TYR HBx 1.0 2.0 6.0 964 964 A 41 TYR HE% A 41 TYR HBy 1.0 2.0 6.0 965 965 A 41 TYR HE% A 46 GLN HBx 1.0 2.0 6.0 966 966 A 17 TYR HE% A 19 GLU HBx 1.0 1.9 4.5 967 967 B 102 ARG HGy A 25 TYR HE% 1.0 2.0 6.0 968 968 A 33 TYR HE% A 35 PRO HBy 1.0 2.0 5.0 969 969 A 41 TYR HE% A 46 GLN HGy 1.0 2.0 6.0 970 970 A 41 TYR HE% B 103 PRO HBy 1.0 1.9 4.7 971 971 A 33 TYR HE% A 12 THR HG2% 1.0 1.8 4.2 972 972 A 41 TYR HE% B 108 ILE HD1% 1.0 2.0 6.0 973 973 A 32 TYR HD% A 25 TYR HD% 1.0 2.0 4.6 974 974 A 32 TYR HE% A 25 TYR HD% 1.0 2.0 4.8 975 975 A 25 TYR HA A 25 TYR HD% 1.0 1.9 3.9 976 976 A 41 TYR HD% A 47 GLN HA 1.0 2.0 6.0 977 977 A 41 TYR HD% A 43 SER HBx 1.0 2.0 6.0 978 978 A 25 TYR HD% A 30 GLY HAy 1.0 2.0 6.0 979 979 A 41 TYR HD% A 43 SER HA 1.0 2.0 5.0 980 980 A 41 TYR HD% B 103 PRO HDy 1.0 2.0 6.0 981 981 A 41 TYR HD% B 106 PRO HDy 1.0 1.9 6.0 982 982 A 33 TYR HD% A 24 TYR HBx 1.0 2.0 5.8 983 983 A 25 TYR HBy A 25 TYR HD% 1.0 1.7 3.3 984 984 A 41 TYR HD% A 41 TYR HBy 1.0 1.8 3.8 985 985 A 41 TYR HD% B 103 PRO HGx 1.0 0.0 6.0 986 986 A 41 TYR HD% B 104 PRO HGy 1.0 0.0 6.0 987 987 A 41 TYR HD% B 103 PRO HBy 1.0 2.0 6.0 988 988 A 40 TYR HD% A 58 TYR HE% 1.0 2.0 4.6 989 989 A 58 TYR HE% A 10 PRO HGx 1.0 1.9 5.5 990 990 A 58 TYR HA A 58 TYR HD% 1.0 1.9 4.1 991 991 A 48 TYR HA A 48 TYR HD% 1.0 1.8 3.8 992 992 A 48 TYR HE% B 105 PRO HA 1.0 0.0 6.0 993 993 A 48 TYR HE% A 48 TYR HBx 1.0 2.0 6.0 994 994 A 48 TYR HE% B 106 PRO HBx 1.0 2.0 5.6 995 995 A 41 TYR HE% A 41 TYR HD% 1.0 1.6 2.6 996 996 A 33 TYR HD% A 15 TYR HD% 1.0 2.0 6.0 997 997 A 15 TYR HD% A 27 PRO HDy 1.0 1.9 6.0 998 998 A 15 TYR HD% A 12 THR HG2% 1.0 1.9 6.0 999 999 A 23 TYR HE% B 108 ILE HD1% 1.0 0.0 6.0 1000 1000 A 41 TYR HE% B 102 ARG HGy 1.0 2.0 6.0 1001 1001 A 41 TYR HE% B 108 ILE HG21 1.0 0.0 6.0 1002 1002 A 41 TYR HE% B 104 PRO HGy 1.0 2.0 5.8 1003 1003 A 24 TYR HD% A 17 TYR HD% 1.0 0.0 6.0 1004 1004 A 17 TYR HD% A 19 GLU HBx 1.0 2.0 6.0 1005 1005 A 23 TYR HE% B 105 PRO HGy 1.0 0.0 6.0 1006 1006 A 40 TYR HD% A 31 LEU HDy% 1.0 1.9 4.7 1007 1007 A 25 TYR HE% A 30 GLY HAx 1.0 2.0 4.8 1008 1008 A 25 TYR HD% A 30 GLY HAx 1.0 2.0 6.0 1009 1009 A 23 TYR HD% A 21 SER HBy 1.0 1.9 4.3 1010 1010 A 39 TYR HE% A 37 SER HBy 1.0 0.0 6.0 1011 1011 A 39 TYR HD% A 37 SER HBy 1.0 0.0 6.0 1012 1012 A 51 TRP HZ2 A 9 VAL HA 1.0 2.0 4.8 1013 1013 A 49 LEU HBy A 58 TYR HD% 1.0 2.0 5.8 1014 1014 A 41 TYR HE% A 46 GLN HA 1.0 1.8 4.0 1015 1015 A 41 TYR HE% A 46 GLN HBy 1.0 2.0 6.0 1016 1016 A 51 TRP HZ2 A 56 GLU HBx 1.0 2.0 5.0 1017 1017 A 51 TRP HH2 A 56 GLU HGy 1.0 2.0 6.0 1018 1018 A 51 TRP HBy A 58 TYR HE% 1.0 1.9 4.3 1019 1019 A 51 TRP HBx A 58 TYR HE% 1.0 1.9 4.3 1020 1020 A 40 TYR HD% A 58 TYR HD% 1.0 2.0 5.2 1021 1021 A 51 TRP HA A 58 TYR HE% 1.0 1.9 6.0 1022 1022 A 40 TYR HD% A 33 TYR HBx 1.0 2.0 5.8 1023 1023 A 40 TYR HD% A 33 TYR HD% 1.0 0.0 6.0 1024 1024 A 15 TYR HD% A 33 TYR HE% 1.0 0.0 6.0 1025 1025 A 32 TYR HD% A 25 TYR HE% 1.0 0.0 6.0 1026 1026 A 17 TYR HA A 24 TYR HD% 1.0 2.0 5.6 1027 1027 A 24 TYR HD% A 12 THR HG2% 1.0 2.0 5.4 1028 1028 A 24 TYR HD% A 15 TYR HBy 1.0 1.8 3.8 1029 1029 A 24 TYR HD% A 15 TYR HD% 1.0 1.9 6.0 1030 1030 A 33 TYR HBy A 15 TYR HE% 1.0 1.9 4.7 1031 1031 A 15 TYR HD% A 33 TYR HBx 1.0 2.0 6.0 1032 1032 A 51 TRP HZ3 A 7 TYR HBx 1.0 1.9 6.0 1033 1033 A 7 TYR HBx A 51 TRP HH2 1.0 2.0 6.0 1034 1034 A 32 TYR HE% A 41 TYR HD% 1.0 0.0 6.0 1035 1035 A 8 ALA HB% A 51 TRP HZ2 1.0 1.9 6.0 1036 1036 A 58 TYR HD% A 51 TRP HBx 1.0 2.0 4.8 1037 1037 A 23 TYR HE% B 109 ARG HGx 1.0 0.0 6.0 1038 1038 A 41 TYR HD% B 106 PRO HBx 1.0 1.8 6.0 1039 1039 A 41 TYR HE% B 103 PRO HGy 1.0 1.9 4.9 1040 1040 A 41 TYR HD% B 108 ILE HD1% 1.0 2.0 6.0 1041 1041 A 48 TYR HE% B 103 PRO HBx 1.0 1.8 6.0 1042 1042 A 41 TYR HE% B 102 ARG HBy 1.0 2.0 6.0 1043 1043 A 41 TYR HE% B 104 PRO HBy 1.0 2.0 5.8 1044 1044 A 41 TYR HE% B 103 PRO HGx 1.0 2.0 6.0 1045 1045 A 41 TYR HE% B 103 PRO HBx 1.0 1.9 6.0 1046 1046 A 41 TYR HE% B 101 MET HGx 1.0 0.0 6.0 1047 1047 A 41 TYR HE% B 104 PRO HDy 1.0 0.0 6.0 1048 1048 A 41 TYR HE% B 106 PRO HDy 1.0 0.0 6.0 1049 1049 A 41 TYR HE% B 103 PRO HDy 1.0 1.7 3.3 1050 1050 A 41 TYR HE% B 104 PRO HA 1.0 0.0 6.0 1051 1051 A 41 TYR HE% B 105 PRO HA 1.0 0.0 6.0 1052 1052 A 41 TYR HD% B 104 PRO HDx 1.0 0.0 6.0 1053 1053 A 48 TYR HE% B 108 ILE HG21 1.0 0.0 6.0 1054 1054 A 48 TYR HE% B 108 ILE HD1% 1.0 1.8 6.0 1055 1055 A 48 TYR HE% B 102 ARG HGy 1.0 0.0 6.0 1056 1056 A 48 TYR HE% B 104 PRO HBy 1.0 2.0 6.0 1057 1057 A 48 TYR HE% B 103 PRO HBy 1.0 0.0 6.0 1058 1058 A 48 TYR HE% B 103 PRO HGx 1.0 0.0 6.0 1059 1059 A 48 TYR HE% B 106 PRO HDy 1.0 0.0 6.0 1060 1060 A 48 TYR HE% B 104 PRO HA 1.0 0.0 6.0 1061 1061 A 48 TYR HD% B 105 PRO HA 1.0 0.0 6.0 1062 1062 A 48 TYR HD% B 104 PRO HDx 1.0 0.0 6.0 1063 1063 A 23 TYR HE% B 106 PRO HDy 1.0 0.0 6.0 1064 1064 A 23 TYR HE% B 105 PRO HDx 1.0 0.0 6.0 1065 1065 A 25 TYR HE% B 102 ARG HBy 1.0 0.0 6.0 1066 1066 A 25 TYR HE% B 105 PRO HGy 1.0 0.0 6.0 1067 1067 B 102 ARG HDy A 25 TYR HE% 1.0 2.0 6.0 1068 1068 A 32 TYR HE% B 103 PRO HGx 1.0 0.0 6.0 1069 1069 A 32 TYR HE% B 105 PRO HGy 1.0 0.0 6.0 1070 1070 A 32 TYR HE% B 103 PRO HBy 1.0 0.0 6.0 1071 1071 A 32 TYR HE% B 102 ARG HGy 1.0 0.0 6.0 1072 1072 A 32 TYR HE% B 108 ILE HD1% 1.0 0.0 6.0 1073 1073 A 32 TYR HE% B 108 ILE HG21 1.0 0.0 6.0 1074 1074 A 32 TYR HD% B 103 PRO HGx 1.0 0.0 6.0 1075 1075 A 32 TYR HE% B 104 PRO HBx 1.0 0.0 6.0 1076 1076 A 32 TYR HD% B 104 PRO HBx 1.0 0.0 6.0 1077 1077 A 32 TYR HE% B 102 ARG HDy 1.0 0.0 6.0 1078 1078 A 32 TYR HE% B 103 PRO HDy 1.0 0.0 6.0 1079 1079 A 32 TYR HE% B 104 PRO HDx 1.0 0.0 6.0 1080 1080 A 39 TYR HE% B 103 PRO HGy 1.0 0.0 6.0 1081 1081 A 39 TYR HE% B 106 PRO HGy 1.0 0.0 6.0 1082 1082 A 39 TYR HE% B 106 PRO HBy 1.0 0.0 6.0 1083 1083 A 39 TYR HE% B 108 ILE HD1% 1.0 0.0 6.0 1084 1084 A 39 TYR HE% B 103 PRO HBy 1.0 0.0 6.0 1085 1085 A 39 TYR HE% B 103 PRO HGx 1.0 0.0 6.0 1086 1086 A 39 TYR HE% B 106 PRO HBx 1.0 0.0 6.0 1087 1087 A 39 TYR HE% B 109 ARG HDy 1.0 0.0 6.0 1088 1088 A 39 TYR HE% B 106 PRO HDy 1.0 0.0 6.0 1089 1089 A 39 TYR HE% B 105 PRO HA 1.0 0.0 6.0 1090 1090 B 102 ARG H B 101 MET HA 1.0 1.7 3.3 1091 1091 B 102 ARG HBy B 102 ARG H 1.0 2.0 5.2 1092 1092 B 102 ARG HGy B 102 ARG H 1.0 2.0 5.8 1093 1093 B 102 ARG H B 102 ARG HBx 1.0 1.9 4.5 1094 1094 B 108 ILE HB B 109 ARG H 1.0 1.9 5.3 1095 1095 B 109 ARG H B 109 ARG HBy 1.0 1.8 4.0 1096 1096 B 109 ARG HGx B 109 ARG H 1.0 1.9 4.5 1097 1097 B 108 ILE HA B 109 ARG H 1.0 1.6 3.0 1098 1098 B 108 ILE HG21 B 109 ARG H 1.0 0.0 6.0 1099 1099 B 106 PRO HA B 107 GLY H 1.0 1.5 2.7 1100 1100 B 107 GLY HAy B 107 GLY H 1.0 1.6 3.0 1101 1101 B 106 PRO HBx B 107 GLY H 1.0 2.0 5.4 1102 1102 B 106 PRO HGy B 107 GLY H 1.0 0.0 6.0 1103 1103 B 106 PRO HBy B 107 GLY H 1.0 2.0 5.0 1104 1104 B 110 GLY H B 109 ARG HA 1.0 1.7 3.3 1105 1105 B 110 GLY H B 110 GLY HAx 1.0 1.8 4.0 1106 1106 B 110 GLY H B 110 GLY HAy 1.0 1.9 3.9 1107 1107 B 108 ILE HA B 108 ILE H 1.0 1.7 3.3 1108 1108 B 107 GLY HAy B 108 ILE H 1.0 1.5 2.5 1109 1109 B 108 ILE HB B 108 ILE H 1.0 1.8 3.8 1110 1110 B 108 ILE HG13 B 108 ILE H 1.0 2.0 5.2 1111 1111 B 108 ILE HG12 B 108 ILE H 1.0 1.9 4.1 1112 1112 B 108 ILE HG21 B 108 ILE H 1.0 2.0 4.8 1113 1113 B 108 ILE HD1% B 108 ILE H 1.0 2.0 5.6 1114 1114 B 107 GLY H B 108 ILE H 1.0 2.0 4.8 1115 1115 B 109 ARG H B 108 ILE H 1.0 1.9 4.3 1116 1116 B 108 ILE HD1% B 109 ARG H 1.0 0.0 6.0 1117 1117 B 108 ILE HD1% B 107 GLY H 1.0 1.6 6.0 1118 1118 B 108 ILE HG21 B 107 GLY H 1.0 1.5 6.0 1119 1119 B 108 ILE HG12 B 109 ARG H 1.0 2.0 6.0 1120 1120 B 108 ILE HG13 B 109 ARG H 1.0 0.0 6.0 1121 1121 B 109 ARG H B 109 ARG HBx 1.0 2.0 6.0 1122 1122 B 109 ARG HDy B 109 ARG H 1.0 1.7 6.0 1123 1123 B 109 ARG HGx B 110 GLY H 1.0 1.8 6.0 1124 1124 B 109 ARG HBy B 110 GLY H 1.0 2.0 6.0 1125 1125 B 101 MET HGx B 102 ARG H 1.0 2.0 6.0 1126 1126 B 102 ARG H B 101 MET HBy 1.0 2.0 6.0 1127 1127 B 102 ARG HDy B 102 ARG H 1.0 1.9 6.0 stop_ save_