data_nef_c11532_2rtu save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 26 CYS SG 1 48 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 SER middle . . 3 A 3 HIS middle . . 4 A 4 MET middle . . 5 A 5 GLY middle . false 6 A 6 LYS middle . . 7 A 7 GLY middle . false 8 A 8 ASP middle . . 9 A 9 PRO middle . false 10 A 10 LYS middle . . 11 A 11 LYS middle . . 12 A 12 PRO middle . false 13 A 13 ARG middle . . 14 A 14 GLY middle . false 15 A 15 LYS middle . . 16 A 16 MET middle . . 17 A 17 SER middle . . 18 A 18 SER middle . . 19 A 19 TYR middle . . 20 A 20 ALA middle . . 21 A 21 PHE middle . . 22 A 22 PHE middle . . 23 A 23 VAL middle . . 24 A 24 GLN middle . . 25 A 25 THR middle . . 26 A 26 CYS middle -HG . 27 A 27 ARG middle . . 28 A 28 GLU middle . . 29 A 29 GLU middle . . 30 A 30 HIS middle . . 31 A 31 LYS middle . . 32 A 32 LYS middle . . 33 A 33 LYS middle . . 34 A 34 HIS middle . . 35 A 35 PRO middle . false 36 A 36 ASP middle . . 37 A 37 ALA middle . . 38 A 38 SER middle . . 39 A 39 VAL middle . . 40 A 40 ASN middle . . 41 A 41 PHE middle . . 42 A 42 SER middle . . 43 A 43 GLU middle . . 44 A 44 PHE middle . . 45 A 45 SER middle . . 46 A 46 LYS middle . . 47 A 47 LYS middle . . 48 A 48 CYS middle -HG . 49 A 49 SER middle . . 50 A 50 GLU middle . . 51 A 51 ARG middle . . 52 A 52 TRP middle . . 53 A 53 LYS middle . . 54 A 54 THR middle . . 55 A 55 MET middle . . 56 A 56 SER middle . . 57 A 57 ALA middle . . 58 A 58 LYS middle . . 59 A 59 GLU middle . . 60 A 60 LYS middle . . 61 A 61 GLY middle . false 62 A 62 LYS middle . . 63 A 63 PHE middle . . 64 A 64 GLU middle . . 65 A 65 ASP middle . . 66 A 66 MET middle . . 67 A 67 ALA middle . . 68 A 68 LYS middle . . 69 A 69 ALA middle . . 70 A 70 ASP middle . . 71 A 71 LYS middle . . 72 A 72 ALA middle . . 73 A 73 ARG middle . . 74 A 74 TYR middle . . 75 A 75 GLU middle . . 76 A 76 ARG middle . . 77 A 77 GLU middle . . 78 A 78 MET middle . . 79 A 79 LYS middle . . 80 A 80 THR middle . . 81 A 81 TYR middle . . 82 A 82 ILE middle . . 83 A 83 PRO middle . false 84 A 84 PRO middle . false 85 A 85 LYS middle . . 86 A 86 GLY middle . false 87 A 87 GLU 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 3 HIS HA H 1 4.720 0.030 A 3 HIS HBx H 1 3.162 0.030 A 3 HIS HBy H 1 3.266 0.030 A 3 HIS HD2 H 1 7.195 0.030 A 3 HIS HE1 H 1 8.291 0.030 A 3 HIS C C 13 174.977 0.300 A 3 HIS CA C 13 55.994 0.300 A 3 HIS CB C 13 29.658 0.300 A 3 HIS CD2 C 13 120.163 0.300 A 3 HIS CE1 C 13 137.323 0.300 A 4 MET H H 1 8.525 0.030 A 4 MET HA H 1 4.488 0.030 A 4 MET HB2 H 1 2.051 0.030 A 4 MET HB3 H 1 2.051 0.030 A 4 MET HE% H 1 2.110 0.030 A 4 MET C C 13 176.681 0.300 A 4 MET CA C 13 55.535 0.300 A 4 MET CB C 13 32.559 0.300 A 4 MET CE C 13 16.926 0.300 A 4 MET CG C 13 31.853 0.300 A 4 MET N N 15 121.965 0.300 A 5 GLY H H 1 8.549 0.030 A 5 GLY HA2 H 1 4.003 0.030 A 5 GLY HA3 H 1 4.003 0.030 A 5 GLY C C 13 174.169 0.300 A 5 GLY CA C 13 45.339 0.300 A 5 GLY N N 15 110.637 0.300 A 6 LYS H H 1 8.335 0.030 A 6 LYS HA H 1 4.358 0.030 A 6 LYS HBy H 1 1.844 0.030 A 6 LYS C C 13 177.196 0.300 A 6 LYS CA C 13 56.428 0.300 A 6 LYS CB C 13 33.171 0.300 A 6 LYS CD C 13 29.315 0.300 A 6 LYS CE C 13 42.168 0.300 A 6 LYS CG C 13 24.945 0.300 A 6 LYS N N 15 121.033 0.300 A 7 GLY H H 1 8.497 0.030 A 7 GLY HA2 H 1 3.951 0.030 A 7 GLY HA3 H 1 3.951 0.030 A 7 GLY C C 13 173.408 0.300 A 7 GLY CA C 13 44.905 0.300 A 7 GLY N N 15 110.177 0.300 A 8 ASP H H 1 8.367 0.030 A 8 ASP HA H 1 4.912 0.030 A 8 ASP HBx H 1 2.615 0.030 A 8 ASP HBy H 1 2.817 0.030 A 8 ASP C C 13 175.299 0.300 A 8 ASP CA C 13 52.044 0.300 A 8 ASP CB C 13 41.401 0.300 A 8 ASP N N 15 121.667 0.300 A 9 PRO HA H 1 4.470 0.030 A 9 PRO HBy H 1 2.333 0.030 A 9 PRO HBx H 1 2.015 0.030 A 9 PRO HDx H 1 3.915 0.030 A 9 PRO HDy H 1 3.942 0.030 A 9 PRO HG2 H 1 2.070 0.030 A 9 PRO HG3 H 1 2.070 0.030 A 9 PRO C C 13 177.191 0.300 A 9 PRO CA C 13 63.638 0.300 A 9 PRO CB C 13 32.377 0.300 A 9 PRO CD C 13 50.963 0.300 A 9 PRO CG C 13 27.402 0.300 A 10 LYS H H 1 8.354 0.030 A 10 LYS HA H 1 4.290 0.030 A 10 LYS HB2 H 1 1.899 0.030 A 10 LYS HB3 H 1 1.899 0.030 A 10 LYS HD2 H 1 1.710 0.030 A 10 LYS HD3 H 1 1.710 0.030 A 10 LYS HE2 H 1 3.013 0.030 A 10 LYS HE3 H 1 3.013 0.030 A 10 LYS HGx H 1 1.436 0.030 A 10 LYS HGy H 1 1.495 0.030 A 10 LYS C C 13 175.997 0.300 A 10 LYS CA C 13 55.860 0.300 A 10 LYS CB C 13 32.553 0.300 A 10 LYS CD C 13 29.058 0.300 A 10 LYS CE C 13 42.168 0.300 A 10 LYS CG C 13 25.115 0.300 A 10 LYS N N 15 119.850 0.300 A 11 LYS H H 1 7.859 0.030 A 11 LYS HA H 1 3.812 0.030 A 11 LYS HBx H 1 1.609 0.030 A 11 LYS HBy H 1 1.680 0.030 A 11 LYS HD2 H 1 1.677 0.030 A 11 LYS HD3 H 1 1.677 0.030 A 11 LYS HEy H 1 3.015 0.030 A 11 LYS HGx H 1 1.047 0.030 A 11 LYS HGy H 1 1.354 0.030 A 11 LYS C C 13 174.407 0.300 A 11 LYS CA C 13 54.651 0.300 A 11 LYS CB C 13 33.016 0.300 A 11 LYS CD C 13 29.276 0.300 A 11 LYS CE C 13 42.194 0.300 A 11 LYS CG C 13 24.292 0.300 A 11 LYS N N 15 123.718 0.300 A 12 PRO HA H 1 4.234 0.030 A 12 PRO HBy H 1 2.418 0.030 A 12 PRO HBx H 1 1.515 0.030 A 12 PRO HDx H 1 2.909 0.030 A 12 PRO HDy H 1 3.321 0.030 A 12 PRO HGx H 1 1.539 0.030 A 12 PRO HGy H 1 1.649 0.030 A 12 PRO C C 13 176.162 0.300 A 12 PRO CA C 13 62.963 0.300 A 12 PRO CB C 13 31.722 0.300 A 12 PRO CD C 13 50.856 0.300 A 12 PRO CG C 13 28.057 0.300 A 13 ARG H H 1 8.977 0.030 A 13 ARG HA H 1 4.170 0.030 A 13 ARG HB2 H 1 1.819 0.030 A 13 ARG HB3 H 1 1.819 0.030 A 13 ARG HDx H 1 3.218 0.030 A 13 ARG HDy H 1 3.281 0.030 A 13 ARG HE H 1 7.307 0.030 A 13 ARG HGy H 1 1.929 0.030 A 13 ARG HGx H 1 1.717 0.030 A 13 ARG C C 13 177.878 0.300 A 13 ARG CA C 13 56.631 0.300 A 13 ARG CB C 13 30.335 0.300 A 13 ARG CD C 13 43.227 0.300 A 13 ARG CG C 13 26.976 0.300 A 13 ARG N N 15 124.656 0.300 A 13 ARG NE N 15 84.236 0.300 A 14 GLY H H 1 8.652 0.030 A 14 GLY HAx H 1 3.700 0.030 A 14 GLY HAy H 1 3.903 0.030 A 14 GLY C C 13 173.632 0.300 A 14 GLY CA C 13 45.332 0.300 A 14 GLY N N 15 111.003 0.300 A 15 LYS H H 1 7.682 0.030 A 15 LYS HA H 1 4.062 0.030 A 15 LYS HB2 H 1 1.556 0.030 A 15 LYS HB3 H 1 1.556 0.030 A 15 LYS HDy H 1 1.599 0.030 A 15 LYS HDx H 1 1.508 0.030 A 15 LYS HEy H 1 2.824 0.030 A 15 LYS HEx H 1 2.581 0.030 A 15 LYS HGy H 1 1.201 0.030 A 15 LYS HGx H 1 0.857 0.030 A 15 LYS C C 13 177.038 0.300 A 15 LYS CA C 13 56.605 0.300 A 15 LYS CB C 13 32.077 0.300 A 15 LYS CD C 13 29.154 0.300 A 15 LYS CE C 13 41.568 0.300 A 15 LYS CG C 13 24.340 0.300 A 15 LYS N N 15 120.368 0.300 A 16 MET H H 1 9.091 0.030 A 16 MET HA H 1 4.407 0.030 A 16 MET HBx H 1 1.414 0.030 A 16 MET HBy H 1 1.583 0.030 A 16 MET HE% H 1 1.288 0.030 A 16 MET HGx H 1 2.111 0.030 A 16 MET HGy H 1 2.204 0.030 A 16 MET C C 13 175.547 0.300 A 16 MET CA C 13 54.950 0.300 A 16 MET CB C 13 35.030 0.300 A 16 MET CE C 13 15.565 0.300 A 16 MET CG C 13 32.008 0.300 A 16 MET N N 15 125.085 0.300 A 17 SER H H 1 8.196 0.030 A 17 SER HA H 1 4.638 0.030 A 17 SER HBy H 1 4.543 0.030 A 17 SER HBx H 1 4.106 0.030 A 17 SER C C 13 174.571 0.300 A 17 SER CA C 13 57.206 0.300 A 17 SER CB C 13 65.687 0.300 A 17 SER N N 15 119.373 0.300 A 18 SER H H 1 9.344 0.030 A 18 SER HA H 1 4.379 0.030 A 18 SER HBx H 1 4.119 0.030 A 18 SER HBy H 1 4.166 0.030 A 18 SER C C 13 176.245 0.300 A 18 SER CA C 13 61.486 0.300 A 18 SER CB C 13 62.334 0.300 A 18 SER N N 15 116.538 0.300 A 19 TYR H H 1 7.944 0.030 A 19 TYR HA H 1 2.866 0.030 A 19 TYR HBx H 1 2.435 0.030 A 19 TYR HBy H 1 2.591 0.030 A 19 TYR HD1 H 1 5.877 0.030 A 19 TYR HD2 H 1 5.877 0.030 A 19 TYR HE1 H 1 6.456 0.030 A 19 TYR HE2 H 1 6.456 0.030 A 19 TYR C C 13 175.835 0.300 A 19 TYR CA C 13 60.294 0.300 A 19 TYR CB C 13 38.175 0.300 A 19 TYR CD1 C 13 132.665 0.300 A 19 TYR CD2 C 13 132.665 0.300 A 19 TYR CE1 C 13 117.770 0.300 A 19 TYR CE2 C 13 117.770 0.300 A 19 TYR N N 15 121.859 0.300 A 20 ALA H H 1 7.873 0.030 A 20 ALA HA H 1 3.689 0.030 A 20 ALA HB% H 1 1.373 0.030 A 20 ALA C C 13 181.805 0.300 A 20 ALA CA C 13 55.155 0.300 A 20 ALA CB C 13 18.121 0.300 A 20 ALA N N 15 121.893 0.300 A 21 PHE H H 1 8.190 0.030 A 21 PHE HA H 1 4.175 0.030 A 21 PHE HBx H 1 3.386 0.030 A 21 PHE HBy H 1 3.636 0.030 A 21 PHE HD1 H 1 7.362 0.030 A 21 PHE HD2 H 1 7.362 0.030 A 21 PHE HE1 H 1 7.313 0.030 A 21 PHE HE2 H 1 7.313 0.030 A 21 PHE HZ H 1 7.110 0.030 A 21 PHE C C 13 179.013 0.300 A 21 PHE CA C 13 63.372 0.300 A 21 PHE CB C 13 40.002 0.300 A 21 PHE CD1 C 13 132.339 0.300 A 21 PHE CD2 C 13 132.339 0.300 A 21 PHE CE1 C 13 131.868 0.300 A 21 PHE CE2 C 13 131.868 0.300 A 21 PHE CZ C 13 129.457 0.300 A 21 PHE N N 15 117.407 0.300 A 22 PHE H H 1 8.132 0.030 A 22 PHE HA H 1 3.554 0.030 A 22 PHE HBy H 1 2.360 0.030 A 22 PHE HBx H 1 2.089 0.030 A 22 PHE HD1 H 1 6.431 0.030 A 22 PHE HD2 H 1 6.431 0.030 A 22 PHE HE1 H 1 7.493 0.030 A 22 PHE HE2 H 1 7.493 0.030 A 22 PHE HZ H 1 7.309 0.030 A 22 PHE C C 13 177.200 0.300 A 22 PHE CA C 13 61.420 0.300 A 22 PHE CB C 13 38.645 0.300 A 22 PHE CD1 C 13 132.344 0.300 A 22 PHE CD2 C 13 132.344 0.300 A 22 PHE CE1 C 13 131.318 0.300 A 22 PHE CE2 C 13 131.318 0.300 A 22 PHE CZ C 13 129.622 0.300 A 22 PHE N N 15 123.212 0.300 A 23 VAL H H 1 8.758 0.030 A 23 VAL HA H 1 2.851 0.030 A 23 VAL HB H 1 1.585 0.030 A 23 VAL HGx% H 1 0.700 0.030 A 23 VAL HGy% H 1 0.367 0.030 A 23 VAL C C 13 177.393 0.300 A 23 VAL CA C 13 67.040 0.300 A 23 VAL CB C 13 30.955 0.300 A 23 VAL CGx C 13 21.344 0.300 A 23 VAL CGy C 13 23.187 0.300 A 23 VAL N N 15 121.720 0.300 A 24 GLN H H 1 7.320 0.030 A 24 GLN HA H 1 3.923 0.030 A 24 GLN HB2 H 1 2.173 0.030 A 24 GLN HB3 H 1 2.173 0.030 A 24 GLN HE2x H 1 6.821 0.030 A 24 GLN HE2y H 1 7.661 0.030 A 24 GLN HGx H 1 2.350 0.030 A 24 GLN HGy H 1 2.409 0.030 A 24 GLN C C 13 178.500 0.300 A 24 GLN CA C 13 59.409 0.300 A 24 GLN CB C 13 28.493 0.300 A 24 GLN CG C 13 33.723 0.300 A 24 GLN N N 15 117.919 0.300 A 24 GLN NE2 N 15 111.687 0.300 A 25 THR H H 1 7.532 0.030 A 25 THR HA H 1 4.123 0.030 A 25 THR HB H 1 4.277 0.030 A 25 THR HG2% H 1 1.471 0.030 A 25 THR C C 13 175.708 0.300 A 25 THR CA C 13 66.349 0.300 A 25 THR CB C 13 69.088 0.300 A 25 THR CG2 C 13 21.761 0.300 A 25 THR N N 15 115.625 0.300 A 26 CYS H H 1 8.482 0.030 A 26 CYS HA H 1 3.991 0.030 A 26 CYS HBx H 1 2.707 0.030 A 26 CYS HBy H 1 2.754 0.030 A 26 CYS C C 13 177.319 0.300 A 26 CYS CA C 13 59.131 0.300 A 26 CYS CB C 13 44.206 0.300 A 26 CYS N N 15 123.281 0.300 A 27 ARG H H 1 8.677 0.030 A 27 ARG HA H 1 3.854 0.030 A 27 ARG HB2 H 1 1.823 0.030 A 27 ARG HB3 H 1 1.823 0.030 A 27 ARG HD2 H 1 2.981 0.030 A 27 ARG HD3 H 1 2.981 0.030 A 27 ARG HE H 1 7.134 0.030 A 27 ARG HGy H 1 1.581 0.030 A 27 ARG HGx H 1 1.371 0.030 A 27 ARG C C 13 178.296 0.300 A 27 ARG CA C 13 59.974 0.300 A 27 ARG CB C 13 30.329 0.300 A 27 ARG CD C 13 43.581 0.300 A 27 ARG CG C 13 27.856 0.300 A 27 ARG N N 15 120.770 0.300 A 27 ARG NE N 15 84.262 0.300 A 28 GLU H H 1 7.862 0.030 A 28 GLU HA H 1 4.017 0.030 A 28 GLU HBy H 1 2.188 0.030 A 28 GLU HBx H 1 2.133 0.030 A 28 GLU HGx H 1 2.361 0.030 A 28 GLU HGy H 1 2.439 0.030 A 28 GLU C C 13 179.183 0.300 A 28 GLU CA C 13 59.134 0.300 A 28 GLU CB C 13 29.463 0.300 A 28 GLU CG C 13 36.215 0.300 A 28 GLU N N 15 119.708 0.300 A 29 GLU H H 1 8.394 0.030 A 29 GLU HA H 1 4.010 0.030 A 29 GLU HBx H 1 2.053 0.030 A 29 GLU HBy H 1 2.169 0.030 A 29 GLU HG2 H 1 2.256 0.030 A 29 GLU HG3 H 1 2.256 0.030 A 29 GLU C C 13 178.988 0.300 A 29 GLU CA C 13 59.178 0.300 A 29 GLU CB C 13 29.603 0.300 A 29 GLU CG C 13 36.551 0.300 A 29 GLU N N 15 119.717 0.300 A 30 HIS H H 1 7.860 0.030 A 30 HIS HA H 1 4.210 0.030 A 30 HIS HBx H 1 2.884 0.030 A 30 HIS HBy H 1 3.020 0.030 A 30 HIS HD2 H 1 6.807 0.030 A 30 HIS HE1 H 1 7.711 0.030 A 30 HIS C C 13 177.238 0.300 A 30 HIS CA C 13 60.157 0.300 A 30 HIS CB C 13 30.335 0.300 A 30 HIS CD2 C 13 119.862 0.300 A 30 HIS CE1 C 13 138.055 0.300 A 30 HIS N N 15 118.847 0.300 A 31 LYS H H 1 7.983 0.030 A 31 LYS HA H 1 3.981 0.030 A 31 LYS HBx H 1 1.909 0.030 A 31 LYS HBy H 1 2.049 0.030 A 31 LYS HDy H 1 1.738 0.030 A 31 LYS HEy H 1 2.974 0.030 A 31 LYS HGy H 1 1.537 0.030 A 31 LYS C C 13 178.176 0.300 A 31 LYS CA C 13 58.675 0.300 A 31 LYS CB C 13 32.574 0.300 A 31 LYS CD C 13 29.401 0.300 A 31 LYS CE C 13 42.083 0.300 A 31 LYS CG C 13 25.116 0.300 A 31 LYS N N 15 119.030 0.300 A 32 LYS H H 1 7.690 0.030 A 32 LYS HA H 1 4.019 0.030 A 32 LYS HBx H 1 1.784 0.030 A 32 LYS HBy H 1 1.876 0.030 A 32 LYS HEy H 1 2.963 0.030 A 32 LYS HGx H 1 1.437 0.030 A 32 LYS HGy H 1 1.572 0.030 A 32 LYS C C 13 178.143 0.300 A 32 LYS CA C 13 58.443 0.300 A 32 LYS CB C 13 32.515 0.300 A 32 LYS CD C 13 29.229 0.300 A 32 LYS CE C 13 42.168 0.300 A 32 LYS CG C 13 25.300 0.300 A 32 LYS N N 15 117.384 0.300 A 33 LYS H H 1 7.501 0.030 A 33 LYS HA H 1 4.047 0.030 A 33 LYS HBx H 1 1.463 0.030 A 33 LYS HBy H 1 1.610 0.030 A 33 LYS HDy H 1 1.707 0.030 A 33 LYS HDx H 1 1.626 0.030 A 33 LYS HE2 H 1 2.963 0.030 A 33 LYS HE3 H 1 2.963 0.030 A 33 LYS HGx H 1 1.198 0.030 A 33 LYS HGy H 1 1.390 0.030 A 33 LYS C C 13 176.174 0.300 A 33 LYS CA C 13 57.194 0.300 A 33 LYS CB C 13 33.552 0.300 A 33 LYS CD C 13 29.315 0.300 A 33 LYS CE C 13 42.083 0.300 A 33 LYS CG C 13 25.359 0.300 A 33 LYS N N 15 116.918 0.300 A 34 HIS H H 1 7.847 0.030 A 34 HIS HA H 1 5.017 0.030 A 34 HIS HBx H 1 2.841 0.030 A 34 HIS HBy H 1 3.019 0.030 A 34 HIS HD2 H 1 6.857 0.030 A 34 HIS HE1 H 1 8.374 0.030 A 34 HIS C C 13 172.373 0.300 A 34 HIS CA C 13 52.803 0.300 A 34 HIS CB C 13 28.938 0.300 A 34 HIS CD2 C 13 121.433 0.300 A 34 HIS CE1 C 13 136.888 0.300 A 34 HIS N N 15 116.402 0.300 A 35 PRO HA H 1 4.511 0.030 A 35 PRO HBy H 1 2.331 0.030 A 35 PRO HBx H 1 2.006 0.030 A 35 PRO HDx H 1 3.406 0.030 A 35 PRO HDy H 1 3.574 0.030 A 35 PRO HG2 H 1 1.964 0.030 A 35 PRO HG3 H 1 1.964 0.030 A 35 PRO C C 13 177.264 0.300 A 35 PRO CA C 13 64.609 0.300 A 35 PRO CB C 13 32.256 0.300 A 35 PRO CD C 13 50.242 0.300 A 35 PRO CG C 13 27.269 0.300 A 36 ASP H H 1 8.555 0.030 A 36 ASP HA H 1 4.650 0.030 A 36 ASP HBx H 1 2.727 0.030 A 36 ASP HBy H 1 2.768 0.030 A 36 ASP C C 13 176.000 0.300 A 36 ASP CA C 13 54.006 0.300 A 36 ASP CB C 13 40.916 0.300 A 36 ASP N N 15 117.518 0.300 A 37 ALA H H 1 7.897 0.030 A 37 ALA HA H 1 4.392 0.030 A 37 ALA HB% H 1 1.467 0.030 A 37 ALA C C 13 177.751 0.300 A 37 ALA CA C 13 52.579 0.300 A 37 ALA CB C 13 19.734 0.300 A 37 ALA N N 15 123.313 0.300 A 38 SER H H 1 8.486 0.030 A 38 SER HA H 1 4.428 0.030 A 38 SER HBx H 1 3.874 0.030 A 38 SER HBy H 1 3.919 0.030 A 38 SER C C 13 174.946 0.300 A 38 SER CA C 13 58.662 0.300 A 38 SER CB C 13 63.484 0.300 A 38 SER N N 15 115.769 0.300 A 39 VAL H H 1 8.071 0.030 A 39 VAL HA H 1 4.098 0.030 A 39 VAL HB H 1 1.975 0.030 A 39 VAL HGx% H 1 0.843 0.030 A 39 VAL HGy% H 1 0.771 0.030 A 39 VAL C C 13 175.550 0.300 A 39 VAL CA C 13 62.122 0.300 A 39 VAL CB C 13 32.770 0.300 A 39 VAL CGx C 13 20.576 0.300 A 39 VAL CGy C 13 21.163 0.300 A 39 VAL N N 15 121.347 0.300 A 40 ASN H H 1 8.470 0.030 A 40 ASN HA H 1 4.753 0.030 A 40 ASN HBx H 1 2.768 0.030 A 40 ASN HBy H 1 2.872 0.030 A 40 ASN HD2x H 1 7.021 0.030 A 40 ASN HD2y H 1 7.697 0.030 A 40 ASN C C 13 175.483 0.300 A 40 ASN CA C 13 52.854 0.300 A 40 ASN CB C 13 38.763 0.300 A 40 ASN N N 15 122.866 0.300 A 40 ASN ND2 N 15 113.313 0.300 A 41 PHE H H 1 8.598 0.030 A 41 PHE HA H 1 4.158 0.030 A 41 PHE HBx H 1 3.084 0.030 A 41 PHE HBy H 1 3.163 0.030 A 41 PHE HD1 H 1 7.173 0.030 A 41 PHE HD2 H 1 7.173 0.030 A 41 PHE HE1 H 1 7.293 0.030 A 41 PHE HE2 H 1 7.293 0.030 A 41 PHE HZ H 1 7.264 0.030 A 41 PHE C C 13 177.161 0.300 A 41 PHE CA C 13 60.178 0.300 A 41 PHE CB C 13 39.118 0.300 A 41 PHE CD1 C 13 131.624 0.300 A 41 PHE CD2 C 13 131.624 0.300 A 41 PHE CE1 C 13 131.481 0.300 A 41 PHE CE2 C 13 131.481 0.300 A 41 PHE CZ C 13 129.931 0.300 A 41 PHE N N 15 123.436 0.300 A 42 SER H H 1 8.539 0.030 A 42 SER HA H 1 4.156 0.030 A 42 SER HB2 H 1 3.920 0.030 A 42 SER HB3 H 1 3.920 0.030 A 42 SER C C 13 176.198 0.300 A 42 SER CA C 13 60.846 0.300 A 42 SER CB C 13 62.791 0.300 A 42 SER N N 15 116.437 0.300 A 43 GLU H H 1 7.995 0.030 A 43 GLU HA H 1 4.106 0.030 A 43 GLU HB2 H 1 1.980 0.030 A 43 GLU HB3 H 1 1.980 0.030 A 43 GLU HGy H 1 2.238 0.030 A 43 GLU HGx H 1 2.156 0.030 A 43 GLU C C 13 177.945 0.300 A 43 GLU CA C 13 58.260 0.300 A 43 GLU CB C 13 29.702 0.300 A 43 GLU CG C 13 36.289 0.300 A 43 GLU N N 15 121.700 0.300 A 44 PHE H H 1 7.912 0.030 A 44 PHE HA H 1 4.277 0.030 A 44 PHE HBx H 1 2.781 0.030 A 44 PHE HBy H 1 2.955 0.030 A 44 PHE HD1 H 1 6.964 0.030 A 44 PHE HD2 H 1 6.964 0.030 A 44 PHE HE1 H 1 7.175 0.030 A 44 PHE HE2 H 1 7.175 0.030 A 44 PHE HZ H 1 7.179 0.030 A 44 PHE C C 13 176.889 0.300 A 44 PHE CA C 13 59.658 0.300 A 44 PHE CB C 13 38.804 0.300 A 44 PHE CD1 C 13 131.509 0.300 A 44 PHE CD2 C 13 131.509 0.300 A 44 PHE CE1 C 13 131.584 0.300 A 44 PHE CE2 C 13 131.584 0.300 A 44 PHE CZ C 13 129.758 0.300 A 44 PHE N N 15 118.625 0.300 A 45 SER H H 1 8.005 0.030 A 45 SER HA H 1 3.765 0.030 A 45 SER HBx H 1 3.575 0.030 A 45 SER HBy H 1 3.709 0.030 A 45 SER C C 13 176.395 0.300 A 45 SER CA C 13 61.498 0.300 A 45 SER CB C 13 62.528 0.300 A 45 SER N N 15 116.128 0.300 A 46 LYS H H 1 7.879 0.030 A 46 LYS HA H 1 4.150 0.030 A 46 LYS HBx H 1 1.795 0.030 A 46 LYS HBy H 1 1.878 0.030 A 46 LYS HD2 H 1 1.707 0.030 A 46 LYS HD3 H 1 1.707 0.030 A 46 LYS HEy H 1 2.986 0.030 A 46 LYS HGy H 1 1.437 0.030 A 46 LYS C C 13 178.631 0.300 A 46 LYS CA C 13 59.049 0.300 A 46 LYS CB C 13 32.400 0.300 A 46 LYS CD C 13 29.177 0.300 A 46 LYS CE C 13 42.101 0.300 A 46 LYS CG C 13 25.116 0.300 A 46 LYS N N 15 122.922 0.300 A 47 LYS H H 1 7.946 0.030 A 47 LYS HA H 1 4.134 0.030 A 47 LYS HBx H 1 1.782 0.030 A 47 LYS HBy H 1 1.877 0.030 A 47 LYS HD2 H 1 1.696 0.030 A 47 LYS HD3 H 1 1.696 0.030 A 47 LYS HEy H 1 2.980 0.030 A 47 LYS C C 13 180.044 0.300 A 47 LYS CA C 13 59.085 0.300 A 47 LYS CB C 13 32.036 0.300 A 47 LYS CD C 13 29.058 0.300 A 47 LYS CE C 13 42.083 0.300 A 47 LYS CG C 13 25.133 0.300 A 47 LYS N N 15 119.310 0.300 A 48 CYS H H 1 8.201 0.030 A 48 CYS HA H 1 4.547 0.030 A 48 CYS HBx H 1 2.996 0.030 A 48 CYS HBy H 1 3.163 0.030 A 48 CYS C C 13 176.439 0.300 A 48 CYS CA C 13 58.591 0.300 A 48 CYS CB C 13 39.928 0.300 A 48 CYS N N 15 118.032 0.300 A 49 SER H H 1 8.397 0.030 A 49 SER HA H 1 4.106 0.030 A 49 SER HBx H 1 4.106 0.030 A 49 SER HBy H 1 4.415 0.030 A 49 SER C C 13 177.401 0.300 A 49 SER CA C 13 62.551 0.300 A 49 SER CB C 13 62.560 0.300 A 49 SER N N 15 116.883 0.300 A 50 GLU H H 1 8.156 0.030 A 50 GLU HA H 1 4.140 0.030 A 50 GLU HBx H 1 2.162 0.030 A 50 GLU HBy H 1 2.217 0.030 A 50 GLU HGx H 1 2.382 0.030 A 50 GLU HGy H 1 2.476 0.030 A 50 GLU C C 13 179.258 0.300 A 50 GLU CA C 13 59.075 0.300 A 50 GLU CB C 13 29.490 0.300 A 50 GLU CG C 13 36.470 0.300 A 50 GLU N N 15 121.350 0.300 A 51 ARG H H 1 8.009 0.030 A 51 ARG HA H 1 4.177 0.030 A 51 ARG HBx H 1 2.295 0.030 A 51 ARG HBy H 1 2.331 0.030 A 51 ARG HDx H 1 3.369 0.030 A 51 ARG HDy H 1 3.477 0.030 A 51 ARG HE H 1 7.511 0.030 A 51 ARG HGx H 1 1.918 0.030 A 51 ARG HGy H 1 1.991 0.030 A 51 ARG C C 13 178.673 0.300 A 51 ARG CA C 13 58.990 0.300 A 51 ARG CB C 13 30.446 0.300 A 51 ARG CD C 13 44.040 0.300 A 51 ARG CG C 13 27.563 0.300 A 51 ARG N N 15 120.202 0.300 A 51 ARG NE N 15 84.674 0.300 A 52 TRP H H 1 8.170 0.030 A 52 TRP HA H 1 4.301 0.030 A 52 TRP HBx H 1 3.367 0.030 A 52 TRP HBy H 1 3.442 0.030 A 52 TRP HD1 H 1 7.050 0.030 A 52 TRP HE1 H 1 10.142 0.030 A 52 TRP HE3 H 1 6.337 0.030 A 52 TRP HH2 H 1 7.154 0.030 A 52 TRP HZ2 H 1 7.606 0.030 A 52 TRP HZ3 H 1 6.602 0.030 A 52 TRP C C 13 177.931 0.300 A 52 TRP CA C 13 59.641 0.300 A 52 TRP CB C 13 30.335 0.300 A 52 TRP CD1 C 13 127.717 0.300 A 52 TRP CE3 C 13 121.924 0.300 A 52 TRP CH2 C 13 124.128 0.300 A 52 TRP CZ2 C 13 114.359 0.300 A 52 TRP CZ3 C 13 121.895 0.300 A 52 TRP N N 15 119.976 0.300 A 52 TRP NE1 N 15 128.329 0.300 A 53 LYS H H 1 7.655 0.030 A 53 LYS HA H 1 4.003 0.030 A 53 LYS HB2 H 1 2.021 0.030 A 53 LYS HB3 H 1 2.021 0.030 A 53 LYS HD2 H 1 1.753 0.030 A 53 LYS HD3 H 1 1.753 0.030 A 53 LYS HEx H 1 3.011 0.030 A 53 LYS HGy H 1 1.750 0.030 A 53 LYS HGx H 1 1.542 0.030 A 53 LYS C C 13 178.232 0.300 A 53 LYS CA C 13 58.670 0.300 A 53 LYS CB C 13 33.000 0.300 A 53 LYS CD C 13 29.744 0.300 A 53 LYS CE C 13 42.106 0.300 A 53 LYS CG C 13 25.487 0.300 A 53 LYS N N 15 114.806 0.300 A 54 THR H H 1 7.449 0.030 A 54 THR HA H 1 4.403 0.030 A 54 THR HB H 1 4.492 0.030 A 54 THR HG2% H 1 1.254 0.030 A 54 THR C C 13 174.868 0.300 A 54 THR CA C 13 61.270 0.300 A 54 THR CB C 13 69.631 0.300 A 54 THR CG2 C 13 21.741 0.300 A 54 THR N N 15 106.393 0.300 A 55 MET H H 1 7.157 0.030 A 55 MET HA H 1 4.217 0.030 A 55 MET HBx H 1 1.722 0.030 A 55 MET HBy H 1 1.823 0.030 A 55 MET HE% H 1 1.880 0.030 A 55 MET HG2 H 1 2.559 0.030 A 55 MET HG3 H 1 2.559 0.030 A 55 MET C C 13 175.972 0.300 A 55 MET CA C 13 56.666 0.300 A 55 MET CB C 13 35.006 0.300 A 55 MET CE C 13 16.640 0.300 A 55 MET CG C 13 31.642 0.300 A 55 MET N N 15 124.071 0.300 A 56 SER H H 1 9.038 0.030 A 56 SER HA H 1 4.372 0.030 A 56 SER HBx H 1 4.089 0.030 A 56 SER HBy H 1 4.380 0.030 A 56 SER C C 13 174.565 0.300 A 56 SER CA C 13 57.266 0.300 A 56 SER CB C 13 65.418 0.300 A 56 SER N N 15 120.238 0.300 A 57 ALA H H 1 8.887 0.030 A 57 ALA HA H 1 3.949 0.030 A 57 ALA HB% H 1 1.455 0.030 A 57 ALA C C 13 181.312 0.300 A 57 ALA CA C 13 55.546 0.300 A 57 ALA CB C 13 17.894 0.300 A 57 ALA N N 15 123.582 0.300 A 58 LYS H H 1 8.311 0.030 A 58 LYS HA H 1 4.073 0.030 A 58 LYS HBx H 1 1.760 0.030 A 58 LYS HBy H 1 1.893 0.030 A 58 LYS HD2 H 1 1.691 0.030 A 58 LYS HD3 H 1 1.691 0.030 A 58 LYS HEy H 1 3.007 0.030 A 58 LYS HG2 H 1 1.499 0.030 A 58 LYS HG3 H 1 1.499 0.030 A 58 LYS C C 13 179.696 0.300 A 58 LYS CA C 13 59.359 0.300 A 58 LYS CB C 13 32.657 0.300 A 58 LYS CD C 13 29.173 0.300 A 58 LYS CE C 13 42.083 0.300 A 58 LYS CG C 13 25.116 0.300 A 58 LYS N N 15 118.261 0.300 A 59 GLU H H 1 7.704 0.030 A 59 GLU HA H 1 4.119 0.030 A 59 GLU HBx H 1 2.166 0.030 A 59 GLU HBy H 1 2.238 0.030 A 59 GLU HG2 H 1 2.415 0.030 A 59 GLU HG3 H 1 2.415 0.030 A 59 GLU C C 13 178.851 0.300 A 59 GLU CA C 13 59.048 0.300 A 59 GLU CB C 13 30.176 0.300 A 59 GLU CG C 13 37.600 0.300 A 59 GLU N N 15 120.620 0.300 A 60 LYS H H 1 8.241 0.030 A 60 LYS HA H 1 4.233 0.030 A 60 LYS HBx H 1 1.611 0.030 A 60 LYS HBy H 1 1.810 0.030 A 60 LYS HDy H 1 0.936 0.030 A 60 LYS HDx H 1 0.895 0.030 A 60 LYS HEx H 1 1.264 0.030 A 60 LYS HEy H 1 1.946 0.030 A 60 LYS HGy H 1 1.103 0.030 A 60 LYS HGx H 1 0.273 0.030 A 60 LYS C C 13 179.056 0.300 A 60 LYS CA C 13 59.789 0.300 A 60 LYS CB C 13 33.116 0.300 A 60 LYS CD C 13 29.271 0.300 A 60 LYS CE C 13 41.925 0.300 A 60 LYS CG C 13 26.394 0.300 A 60 LYS N N 15 117.468 0.300 A 61 GLY H H 1 7.919 0.030 A 61 GLY HAx H 1 3.900 0.030 A 61 GLY HAy H 1 4.061 0.030 A 61 GLY C C 13 175.315 0.300 A 61 GLY CA C 13 47.912 0.300 A 61 GLY N N 15 107.157 0.300 A 62 LYS H H 1 7.896 0.030 A 62 LYS HA H 1 4.093 0.030 A 62 LYS HBx H 1 1.402 0.030 A 62 LYS HBy H 1 1.682 0.030 A 62 LYS HD2 H 1 1.499 0.030 A 62 LYS HD3 H 1 1.499 0.030 A 62 LYS HE2 H 1 2.805 0.030 A 62 LYS HE3 H 1 2.805 0.030 A 62 LYS HGx H 1 0.861 0.030 A 62 LYS HGy H 1 0.891 0.030 A 62 LYS C C 13 178.751 0.300 A 62 LYS CA C 13 59.085 0.300 A 62 LYS CB C 13 31.699 0.300 A 62 LYS CD C 13 29.098 0.300 A 62 LYS CE C 13 41.814 0.300 A 62 LYS CG C 13 23.778 0.300 A 62 LYS N N 15 119.563 0.300 A 63 PHE H H 1 7.379 0.030 A 63 PHE HA H 1 4.451 0.030 A 63 PHE HBy H 1 4.085 0.030 A 63 PHE HBx H 1 3.417 0.030 A 63 PHE HD1 H 1 7.650 0.030 A 63 PHE HD2 H 1 7.650 0.030 A 63 PHE HE1 H 1 7.697 0.030 A 63 PHE HE2 H 1 7.697 0.030 A 63 PHE HZ H 1 7.793 0.030 A 63 PHE C C 13 178.545 0.300 A 63 PHE CA C 13 61.083 0.300 A 63 PHE CB C 13 38.829 0.300 A 63 PHE CD1 C 13 132.262 0.300 A 63 PHE CD2 C 13 132.262 0.300 A 63 PHE CE1 C 13 132.277 0.300 A 63 PHE CE2 C 13 132.277 0.300 A 63 PHE CZ C 13 130.718 0.300 A 63 PHE N N 15 119.990 0.300 A 64 GLU H H 1 8.458 0.030 A 64 GLU HA H 1 4.454 0.030 A 64 GLU HBx H 1 2.266 0.030 A 64 GLU HBy H 1 2.375 0.030 A 64 GLU HGx H 1 2.560 0.030 A 64 GLU HGy H 1 2.596 0.030 A 64 GLU C C 13 180.289 0.300 A 64 GLU CA C 13 59.285 0.300 A 64 GLU CB C 13 28.841 0.300 A 64 GLU CG C 13 36.002 0.300 A 64 GLU N N 15 122.268 0.300 A 65 ASP H H 1 8.649 0.030 A 65 ASP HA H 1 4.486 0.030 A 65 ASP HBx H 1 2.615 0.030 A 65 ASP HBy H 1 2.790 0.030 A 65 ASP C C 13 179.792 0.300 A 65 ASP CA C 13 57.760 0.300 A 65 ASP CB C 13 39.559 0.300 A 65 ASP N N 15 121.435 0.300 A 66 MET H H 1 7.422 0.030 A 66 MET HA H 1 3.823 0.030 A 66 MET HBx H 1 0.515 0.030 A 66 MET HBy H 1 1.689 0.030 A 66 MET HE% H 1 1.869 0.030 A 66 MET HGx H 1 2.202 0.030 A 66 MET HGy H 1 2.638 0.030 A 66 MET C C 13 178.769 0.300 A 66 MET CA C 13 59.410 0.300 A 66 MET CB C 13 31.629 0.300 A 66 MET CE C 13 17.769 0.300 A 66 MET CG C 13 32.212 0.300 A 66 MET N N 15 121.057 0.300 A 67 ALA H H 1 8.036 0.030 A 67 ALA HA H 1 4.432 0.030 A 67 ALA HB% H 1 1.805 0.030 A 67 ALA C C 13 180.663 0.300 A 67 ALA CA C 13 55.600 0.300 A 67 ALA CB C 13 18.617 0.300 A 67 ALA N N 15 123.573 0.300 A 68 LYS H H 1 8.605 0.030 A 68 LYS HA H 1 4.157 0.030 A 68 LYS HB2 H 1 2.046 0.030 A 68 LYS HB3 H 1 2.046 0.030 A 68 LYS HD2 H 1 1.768 0.030 A 68 LYS HD3 H 1 1.768 0.030 A 68 LYS HEy H 1 3.040 0.030 A 68 LYS HGx H 1 1.515 0.030 A 68 LYS HGy H 1 1.727 0.030 A 68 LYS C C 13 179.933 0.300 A 68 LYS CA C 13 60.194 0.300 A 68 LYS CB C 13 32.599 0.300 A 68 LYS CD C 13 30.097 0.300 A 68 LYS CE C 13 42.168 0.300 A 68 LYS CG C 13 25.432 0.300 A 68 LYS N N 15 122.557 0.300 A 69 ALA H H 1 7.977 0.030 A 69 ALA HA H 1 4.350 0.030 A 69 ALA HB% H 1 1.556 0.030 A 69 ALA C C 13 180.835 0.300 A 69 ALA CA C 13 54.822 0.300 A 69 ALA CB C 13 17.756 0.300 A 69 ALA N N 15 122.940 0.300 A 70 ASP H H 1 8.401 0.030 A 70 ASP HA H 1 4.964 0.030 A 70 ASP HB2 H 1 3.120 0.030 A 70 ASP HB3 H 1 3.120 0.030 A 70 ASP C C 13 177.722 0.300 A 70 ASP CA C 13 57.522 0.300 A 70 ASP CB C 13 42.745 0.300 A 70 ASP N N 15 120.661 0.300 A 71 LYS H H 1 8.259 0.030 A 71 LYS HA H 1 4.061 0.030 A 71 LYS HBx H 1 1.996 0.030 A 71 LYS HBy H 1 2.155 0.030 A 71 LYS HD2 H 1 1.830 0.030 A 71 LYS HD3 H 1 1.830 0.030 A 71 LYS HG2 H 1 1.511 0.030 A 71 LYS HG3 H 1 1.511 0.030 A 71 LYS C C 13 177.798 0.300 A 71 LYS CA C 13 59.591 0.300 A 71 LYS CB C 13 32.486 0.300 A 71 LYS CD C 13 30.086 0.300 A 71 LYS CE C 13 42.254 0.300 A 71 LYS CG C 13 25.150 0.300 A 71 LYS N N 15 120.897 0.300 A 72 ALA H H 1 7.482 0.030 A 72 ALA HA H 1 4.300 0.030 A 72 ALA HB% H 1 1.592 0.030 A 72 ALA C C 13 180.415 0.300 A 72 ALA CA C 13 54.943 0.300 A 72 ALA CB C 13 17.794 0.300 A 72 ALA N N 15 120.915 0.300 A 73 ARG H H 1 7.997 0.030 A 73 ARG HA H 1 4.023 0.030 A 73 ARG HBx H 1 2.083 0.030 A 73 ARG HBy H 1 2.535 0.030 A 73 ARG HDy H 1 3.198 0.030 A 73 ARG HDx H 1 3.121 0.030 A 73 ARG HE H 1 7.567 0.030 A 73 ARG HGx H 1 1.793 0.030 A 73 ARG HGy H 1 1.991 0.030 A 73 ARG C C 13 178.095 0.300 A 73 ARG CA C 13 59.374 0.300 A 73 ARG CB C 13 27.478 0.300 A 73 ARG CD C 13 42.192 0.300 A 73 ARG CG C 13 25.191 0.300 A 73 ARG N N 15 121.133 0.300 A 73 ARG NE N 15 83.429 0.300 A 74 TYR H H 1 8.611 0.030 A 74 TYR HA H 1 3.973 0.030 A 74 TYR HBx H 1 3.093 0.030 A 74 TYR HBy H 1 3.189 0.030 A 74 TYR HD1 H 1 7.222 0.030 A 74 TYR HD2 H 1 7.222 0.030 A 74 TYR HE1 H 1 6.826 0.030 A 74 TYR HE2 H 1 6.826 0.030 A 74 TYR C C 13 176.681 0.300 A 74 TYR CA C 13 62.518 0.300 A 74 TYR CB C 13 39.210 0.300 A 74 TYR CD1 C 13 133.527 0.300 A 74 TYR CD2 C 13 133.527 0.300 A 74 TYR CE1 C 13 118.342 0.300 A 74 TYR CE2 C 13 118.342 0.300 A 74 TYR N N 15 122.065 0.300 A 75 GLU H H 1 8.482 0.030 A 75 GLU HA H 1 3.789 0.030 A 75 GLU HBx H 1 2.050 0.030 A 75 GLU HBy H 1 2.166 0.030 A 75 GLU HGx H 1 2.444 0.030 A 75 GLU HGy H 1 2.775 0.030 A 75 GLU C C 13 179.550 0.300 A 75 GLU CA C 13 59.442 0.300 A 75 GLU CB C 13 29.458 0.300 A 75 GLU CG C 13 37.137 0.300 A 75 GLU N N 15 117.066 0.300 A 76 ARG H H 1 8.058 0.030 A 76 ARG HA H 1 4.120 0.030 A 76 ARG HBx H 1 2.033 0.030 A 76 ARG HBy H 1 2.165 0.030 A 76 ARG HD2 H 1 3.304 0.030 A 76 ARG HD3 H 1 3.304 0.030 A 76 ARG HE H 1 7.392 0.030 A 76 ARG HGx H 1 1.645 0.030 A 76 ARG HGy H 1 1.777 0.030 A 76 ARG C C 13 179.630 0.300 A 76 ARG CA C 13 59.188 0.300 A 76 ARG CB C 13 30.017 0.300 A 76 ARG CD C 13 43.495 0.300 A 76 ARG CG C 13 27.444 0.300 A 76 ARG N N 15 119.625 0.300 A 76 ARG NE N 15 83.808 0.300 A 77 GLU H H 1 8.511 0.030 A 77 GLU HA H 1 4.019 0.030 A 77 GLU HBx H 1 1.876 0.030 A 77 GLU HBy H 1 2.034 0.030 A 77 GLU HGx H 1 2.186 0.030 A 77 GLU HGy H 1 2.675 0.030 A 77 GLU C C 13 179.861 0.300 A 77 GLU CA C 13 59.238 0.300 A 77 GLU CB C 13 29.661 0.300 A 77 GLU CG C 13 37.645 0.300 A 77 GLU N N 15 119.978 0.300 A 78 MET H H 1 8.488 0.030 A 78 MET HA H 1 4.464 0.030 A 78 MET HB2 H 1 1.883 0.030 A 78 MET HB3 H 1 1.883 0.030 A 78 MET HE% H 1 2.046 0.030 A 78 MET HG2 H 1 2.390 0.030 A 78 MET HG3 H 1 2.390 0.030 A 78 MET C C 13 178.767 0.300 A 78 MET CA C 13 55.827 0.300 A 78 MET CB C 13 30.352 0.300 A 78 MET CE C 13 16.194 0.300 A 78 MET CG C 13 32.176 0.300 A 78 MET N N 15 117.459 0.300 A 79 LYS H H 1 7.534 0.030 A 79 LYS HA H 1 4.196 0.030 A 79 LYS HB2 H 1 2.009 0.030 A 79 LYS HB3 H 1 2.009 0.030 A 79 LYS HD2 H 1 1.710 0.030 A 79 LYS HD3 H 1 1.710 0.030 A 79 LYS HE2 H 1 3.023 0.030 A 79 LYS HE3 H 1 3.023 0.030 A 79 LYS HG2 H 1 1.558 0.030 A 79 LYS HG3 H 1 1.558 0.030 A 79 LYS C C 13 178.026 0.300 A 79 LYS CA C 13 58.835 0.300 A 79 LYS CB C 13 32.804 0.300 A 79 LYS CD C 13 29.286 0.300 A 79 LYS CE C 13 42.328 0.300 A 79 LYS CG C 13 25.399 0.300 A 79 LYS N N 15 118.980 0.300 A 80 THR H H 1 7.325 0.030 A 80 THR HA H 1 4.442 0.030 A 80 THR HB H 1 4.473 0.030 A 80 THR HG2% H 1 1.218 0.030 A 80 THR C C 13 174.041 0.300 A 80 THR CA C 13 61.183 0.300 A 80 THR CB C 13 68.978 0.300 A 80 THR CG2 C 13 21.771 0.300 A 80 THR N N 15 106.730 0.300 A 81 TYR H H 1 7.483 0.030 A 81 TYR HA H 1 4.551 0.030 A 81 TYR HBx H 1 2.955 0.030 A 81 TYR HBy H 1 3.095 0.030 A 81 TYR HD1 H 1 7.100 0.030 A 81 TYR HD2 H 1 7.100 0.030 A 81 TYR HE1 H 1 6.755 0.030 A 81 TYR HE2 H 1 6.755 0.030 A 81 TYR C C 13 174.416 0.300 A 81 TYR CA C 13 58.468 0.300 A 81 TYR CB C 13 39.225 0.300 A 81 TYR CD1 C 13 133.381 0.300 A 81 TYR CD2 C 13 133.381 0.300 A 81 TYR CE1 C 13 117.688 0.300 A 81 TYR CE2 C 13 117.688 0.300 A 81 TYR N N 15 123.927 0.300 A 82 ILE H H 1 7.858 0.030 A 82 ILE HA H 1 4.289 0.030 A 82 ILE HB H 1 1.666 0.030 A 82 ILE HD1% H 1 0.807 0.030 A 82 ILE HG1x H 1 1.035 0.030 A 82 ILE HG1y H 1 1.452 0.030 A 82 ILE HG2% H 1 0.809 0.030 A 82 ILE C C 13 172.785 0.300 A 82 ILE CA C 13 57.383 0.300 A 82 ILE CB C 13 39.084 0.300 A 82 ILE CD1 C 13 12.599 0.300 A 82 ILE CG1 C 13 26.746 0.300 A 82 ILE CG2 C 13 16.968 0.300 A 82 ILE N N 15 129.884 0.300 A 83 PRO HA H 1 4.412 0.030 A 83 PRO HBy H 1 2.355 0.030 A 83 PRO HBx H 1 1.894 0.030 A 83 PRO HDx H 1 3.500 0.030 A 83 PRO HDy H 1 3.578 0.030 A 83 PRO HG2 H 1 1.988 0.030 A 83 PRO HG3 H 1 1.988 0.030 A 83 PRO CA C 13 61.050 0.300 A 83 PRO CB C 13 30.959 0.300 A 83 PRO CD C 13 50.716 0.300 A 83 PRO CG C 13 27.233 0.300 A 84 PRO HA H 1 4.416 0.030 A 84 PRO HBy H 1 2.319 0.030 A 84 PRO HBx H 1 1.897 0.030 A 84 PRO HDx H 1 3.648 0.030 A 84 PRO HDy H 1 3.900 0.030 A 84 PRO HG2 H 1 2.052 0.030 A 84 PRO HG3 H 1 2.052 0.030 A 84 PRO C C 13 176.887 0.300 A 84 PRO CA C 13 62.727 0.300 A 84 PRO CB C 13 32.230 0.300 A 84 PRO CD C 13 50.651 0.300 A 84 PRO CG C 13 27.687 0.300 A 85 LYS H H 1 8.450 0.030 A 85 LYS HA H 1 4.270 0.030 A 85 LYS HB2 H 1 1.827 0.030 A 85 LYS HB3 H 1 1.827 0.030 A 85 LYS HGy H 1 1.445 0.030 A 85 LYS C C 13 177.248 0.300 A 85 LYS CA C 13 56.716 0.300 A 85 LYS CB C 13 33.086 0.300 A 85 LYS CD C 13 29.146 0.300 A 85 LYS CE C 13 42.154 0.300 A 85 LYS CG C 13 25.083 0.300 A 85 LYS N N 15 121.989 0.300 A 86 GLY H H 1 8.506 0.030 A 86 GLY HA2 H 1 3.967 0.030 A 86 GLY HA3 H 1 3.967 0.030 A 86 GLY C C 13 173.215 0.300 A 86 GLY CA C 13 45.249 0.300 A 86 GLY N N 15 111.200 0.300 A 87 GLU H H 1 7.929 0.030 A 87 GLU HA H 1 4.173 0.030 A 87 GLU HBx H 1 1.888 0.030 A 87 GLU HBy H 1 2.096 0.030 A 87 GLU HGx H 1 2.205 0.030 A 87 GLU HGy H 1 2.205 0.030 A 87 GLU C C 13 181.172 0.300 A 87 GLU CA C 13 57.931 0.300 A 87 GLU CB C 13 31.168 0.300 A 87 GLU CG C 13 36.760 0.300 A 87 GLU N N 15 125.669 0.300 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 52 TRP HE1 A 53 LYS HA 1.0 1.3 6.5 2 2 A 52 TRP HE1 A 19 TYR HE% 1.0 1.1 8.9 3 3 A 52 TRP HE1 A 19 TYR HD% 1.0 1.1 8.9 4 4 A 52 TRP HE1 A 52 TRP HBx 1.0 0.3 7.5 5 4 A 52 TRP HE1 A 52 TRP HBy 1.0 0.3 7.5 6 5 A 52 TRP HE1 A 19 TYR HA 1.0 1.3 6.5 7 6 A 52 TRP HE1 A 19 TYR HBx 1.0 0.3 7.5 8 6 A 52 TRP HE1 A 19 TYR HBy 1.0 0.3 7.5 9 7 A 52 TRP HE1 A 19 TYR HBx 1.0 0.3 7.5 10 7 A 52 TRP HE1 A 19 TYR HBy 1.0 0.3 7.5 11 8 A 52 TRP HE1 A 60 LYS HEx 1.0 0.2 8.0 12 8 A 52 TRP HE1 A 60 LYS HEy 1.0 0.2 8.0 13 9 A 52 TRP HE1 A 53 LYS HGy 1.0 0.2 8.0 14 9 A 52 TRP HE1 A 53 LYS HGx 1.0 0.2 8.0 15 10 A 52 TRP HE1 A 60 LYS HEx 1.0 0.2 8.0 16 10 A 52 TRP HE1 A 60 LYS HEy 1.0 0.2 8.0 17 11 A 52 TRP HE1 A 60 LYS HDy 1.0 0.2 8.0 18 11 A 52 TRP HE1 A 60 LYS HDx 1.0 0.2 8.0 19 12 A 61 GLY H A 64 GLU H 1.0 1.8 6.0 20 13 A 61 GLY H A 60 LYS H 1.0 1.8 4.3 21 14 A 61 GLY H A 61 GLY HAx 1.0 0.8 5.3 22 14 A 61 GLY H A 61 GLY HAy 1.0 0.8 5.3 23 15 A 61 GLY H A 64 GLU HGx 1.0 0.3 7.5 24 15 A 61 GLY H A 64 GLU HGy 1.0 0.3 7.5 25 16 A 61 GLY H A 64 GLU HBx 1.0 0.8 7.0 26 16 A 61 GLY H A 64 GLU HBy 1.0 0.8 7.0 27 17 A 61 GLY H A 60 LYS HBx 1.0 0.8 7.0 28 17 A 61 GLY H A 60 LYS HBy 1.0 0.8 7.0 29 18 A 61 GLY H A 60 LYS HBx 1.0 0.8 7.0 30 18 A 61 GLY H A 60 LYS HBy 1.0 0.8 7.0 31 19 A 61 GLY H A 57 ALA HB% 1.0 0.3 7.5 32 20 A 61 GLY H A 60 LYS HDy 1.0 0.3 7.5 33 20 A 60 LYS HDx A 61 GLY H 1.0 0.3 7.5 34 21 A 61 GLY H A 60 LYS HDy 1.0 0.3 7.5 35 21 A 60 LYS HDx A 61 GLY H 1.0 0.3 7.5 36 22 A 61 GLY H A 59 GLU HBx 1.0 0.8 7.0 37 22 A 61 GLY H A 59 GLU HBy 1.0 0.8 7.0 38 23 A 61 GLY H A 60 LYS HGy 1.0 0.3 7.5 39 23 A 61 GLY H A 60 LYS HGx 1.0 0.3 7.5 40 24 A 61 GLY H A 60 LYS HGy 1.0 0.3 7.5 41 24 A 61 GLY H A 60 LYS HGx 1.0 0.3 7.5 42 25 A 78 MET H A 80 THR H 1.0 1.8 6.0 43 26 A 80 THR H A 80 THR HB 1.0 1.8 6.0 44 27 A 80 THR H A 77 GLU HA 1.0 1.8 6.0 45 28 A 80 THR H A 81 TYR HBx 1.0 0.8 7.0 46 28 A 80 THR H A 81 TYR HBy 1.0 0.8 7.0 47 29 A 80 THR H A 81 TYR HBx 1.0 0.8 7.0 48 29 A 80 THR H A 81 TYR HBy 1.0 0.8 7.0 49 30 A 80 THR H A 79 LYS HB2 1.0 0.8 5.3 50 30 A 80 THR H A 79 LYS HB3 1.0 0.8 5.3 51 31 A 80 THR H A 79 LYS HD2 1.0 0.3 7.5 52 31 A 80 THR H A 79 LYS HD3 1.0 0.3 7.5 53 32 A 80 THR H A 79 LYS HG2 1.0 0.3 7.5 54 32 A 80 THR H A 79 LYS HG3 1.0 0.3 7.5 55 33 A 52 TRP H A 54 THR H 1.0 1.8 6.0 56 34 A 54 THR H A 53 LYS H 1.0 1.8 4.3 57 35 A 54 THR H A 55 MET H 1.0 1.8 4.3 58 36 A 54 THR H A 51 ARG HA 1.0 1.8 6.0 59 37 A 54 THR H A 55 MET HG2 1.0 0.3 7.5 60 37 A 54 THR H A 55 MET HG3 1.0 0.3 7.5 61 38 A 54 THR H A 51 ARG HBx 1.0 0.8 7.0 62 38 A 54 THR H A 51 ARG HBy 1.0 0.8 7.0 63 39 A 54 THR H A 53 LYS HB2 1.0 0.8 5.3 64 39 A 54 THR H A 53 LYS HB3 1.0 0.8 5.3 65 40 A 54 THR H A 53 LYS HGy 1.0 0.3 7.5 66 40 A 53 LYS HGx A 54 THR H 1.0 0.3 7.5 67 41 A 54 THR H A 53 LYS HD2 1.0 0.3 7.5 68 41 A 54 THR H A 53 LYS HD3 1.0 0.3 7.5 69 42 A 54 THR H A 53 LYS HGy 1.0 0.3 7.5 70 42 A 53 LYS HGx A 54 THR H 1.0 0.3 7.5 71 43 A 54 THR H A 54 THR HG2% 1.0 0.3 5.8 72 44 A 54 THR H A 52 TRP HBx 1.0 0.8 7.0 73 44 A 52 TRP HBy A 54 THR H 1.0 0.8 7.0 74 45 A 51 ARG HE A 51 ARG HBx 1.0 0.8 7.0 75 45 A 51 ARG HBy A 51 ARG HE 1.0 0.8 7.0 76 46 A 51 ARG HE A 51 ARG HBx 1.0 0.8 7.0 77 46 A 51 ARG HBy A 51 ARG HE 1.0 0.8 7.0 78 47 A 86 GLY H A 87 GLU H 1.0 1.8 6.0 79 48 A 13 ARG HE A 13 ARG HB2 1.0 0.8 7.0 80 48 A 13 ARG HB3 A 13 ARG HE 1.0 0.8 7.0 81 49 A 16 MET H A 17 SER H 1.0 1.8 6.0 82 50 A 76 ARG HE A 76 ARG HBx 1.0 0.8 7.0 83 50 A 76 ARG HBy A 76 ARG HE 1.0 0.8 7.0 84 51 A 16 MET H A 15 LYS HGy 1.0 0.3 7.5 85 51 A 16 MET H A 15 LYS HGx 1.0 0.3 7.5 86 52 A 16 MET H A 21 PHE HE% 1.0 0.6 8.4 87 53 A 16 MET H A 21 PHE HZ 1.0 1.3 6.5 88 54 A 16 MET H A 70 ASP HB2 1.0 0.8 7.0 89 54 A 16 MET H A 70 ASP HB3 1.0 0.8 7.0 90 55 A 16 MET H A 15 LYS HB2 1.0 0.8 5.3 91 55 A 16 MET H A 15 LYS HB3 1.0 0.8 5.3 92 56 A 16 MET H A 15 LYS HDy 1.0 0.3 7.5 93 56 A 16 MET H A 15 LYS HDx 1.0 0.3 7.5 94 57 A 16 MET H A 15 LYS HGy 1.0 0.3 7.5 95 57 A 16 MET H A 15 LYS HGx 1.0 0.3 7.5 96 58 A 73 ARG HE A 74 TYR H 1.0 1.8 6.0 97 59 A 73 ARG HE A 73 ARG H 1.0 1.8 6.0 98 60 A 73 ARG HE A 73 ARG HA 1.0 1.8 6.0 99 61 A 73 ARG HE A 73 ARG HBx 1.0 0.8 7.0 100 61 A 73 ARG HE A 73 ARG HBy 1.0 0.8 7.0 101 62 A 73 ARG HE A 73 ARG HGx 1.0 0.3 7.5 102 62 A 73 ARG HE A 73 ARG HGy 1.0 0.3 7.5 103 63 A 73 ARG HE A 73 ARG HGx 1.0 0.3 7.5 104 63 A 73 ARG HE A 73 ARG HGy 1.0 0.3 7.5 105 64 A 13 ARG H A 12 PRO HBy 1.0 0.8 7.0 106 64 A 12 PRO HBx A 13 ARG H 1.0 0.8 7.0 107 65 A 55 MET H A 60 LYS HDy 1.0 0.3 7.5 108 65 A 60 LYS HDx A 55 MET H 1.0 0.3 7.5 109 66 A 55 MET H A 56 SER H 1.0 1.8 6.0 110 67 A 53 LYS H A 55 MET H 1.0 1.8 6.0 111 68 A 55 MET H A 55 MET HBx 1.0 0.8 5.3 112 68 A 55 MET H A 55 MET HBy 1.0 0.8 5.3 113 69 A 55 MET H A 60 LYS HEx 1.0 0.3 7.5 114 69 A 60 LYS HEy A 55 MET H 1.0 0.3 7.5 115 70 A 55 MET H A 60 LYS HGy 1.0 0.3 7.5 116 70 A 60 LYS HGx A 55 MET H 1.0 0.3 7.5 117 71 A 81 TYR H A 82 ILE H 1.0 1.8 6.0 118 72 A 80 THR H A 81 TYR H 1.0 1.8 4.3 119 73 A 81 TYR H A 81 TYR HD% 1.0 0.6 8.4 120 74 A 81 TYR H A 78 MET HA 1.0 1.8 4.3 121 75 A 81 TYR H A 79 LYS HA 1.0 1.8 6.0 122 76 A 77 GLU HA A 81 TYR H 1.0 1.8 6.0 123 77 A 81 TYR H A 81 TYR HBx 1.0 0.8 5.3 124 77 A 81 TYR HBy A 81 TYR H 1.0 0.8 5.3 125 78 A 81 TYR H A 81 TYR HBx 1.0 0.8 5.3 126 78 A 81 TYR HBy A 81 TYR H 1.0 0.8 5.3 127 79 A 81 TYR H A 79 LYS HG2 1.0 0.3 7.5 128 79 A 79 LYS HG3 A 81 TYR H 1.0 0.3 7.5 129 80 A 10 LYS HA A 11 LYS H 1.0 1.8 4.3 130 81 A 67 ALA H A 65 ASP HBx 1.0 0.8 7.0 131 81 A 65 ASP HBy A 67 ALA H 1.0 0.8 7.0 132 82 A 57 ALA H A 60 LYS HBx 1.0 0.8 7.0 133 82 A 60 LYS HBy A 57 ALA H 1.0 0.8 7.0 134 83 A 11 LYS H A 11 LYS HBx 1.0 0.8 5.3 135 83 A 11 LYS H A 11 LYS HBy 1.0 0.8 5.3 136 84 A 67 ALA H A 68 LYS H 1.0 1.8 4.3 137 85 A 64 GLU H A 67 ALA H 1.0 1.8 6.0 138 86 A 67 ALA H A 70 ASP H 1.0 1.8 6.0 139 87 A 57 ALA H A 59 GLU H 1.0 1.8 6.0 140 88 A 67 ALA H A 66 MET H 1.0 1.8 4.3 141 89 A 57 ALA H A 56 SER HA 1.0 1.8 4.3 142 90 A 57 ALA H A 56 SER HBx 1.0 0.8 5.3 143 90 A 57 ALA H A 56 SER HBy 1.0 0.8 5.3 144 91 A 67 ALA H A 18 SER HBx 1.0 0.8 7.0 145 91 A 67 ALA H A 18 SER HBy 1.0 0.8 7.0 146 92 A 67 ALA H A 68 LYS HA 1.0 1.8 6.0 147 93 A 57 ALA H A 56 SER HBx 1.0 0.8 7.0 148 93 A 57 ALA H A 56 SER HBy 1.0 0.8 7.0 149 94 A 67 ALA H A 21 PHE HBx 1.0 0.8 7.0 150 94 A 67 ALA H A 21 PHE HBy 1.0 0.8 7.0 151 95 A 67 ALA H A 70 ASP HB2 1.0 0.8 7.0 152 95 A 70 ASP HB3 A 67 ALA H 1.0 0.8 7.0 153 96 A 67 ALA H A 66 MET HGx 1.0 0.3 7.5 154 96 A 67 ALA H A 66 MET HGy 1.0 0.3 7.5 155 97 A 67 ALA H A 68 LYS HB2 1.0 0.8 7.0 156 97 A 67 ALA H A 68 LYS HB3 1.0 0.8 7.0 157 98 A 57 ALA HB% A 57 ALA H 1.0 0.3 5.8 158 99 A 41 PHE H A 41 PHE HD% 1.0 0.6 8.4 159 100 A 41 PHE H A 41 PHE HBx 1.0 0.8 5.3 160 100 A 41 PHE H A 41 PHE HBy 1.0 0.8 5.3 161 101 A 41 PHE H A 40 ASN HBx 1.0 0.8 7.0 162 101 A 41 PHE H A 40 ASN HBy 1.0 0.8 7.0 163 102 A 41 PHE H A 44 PHE HBx 1.0 0.8 7.0 164 102 A 41 PHE H A 44 PHE HBy 1.0 0.8 7.0 165 103 A 36 ASP H A 37 ALA H 1.0 1.8 4.3 166 104 A 22 PHE H A 63 PHE HD% 1.0 0.6 8.4 167 105 A 22 PHE H A 24 GLN H 1.0 1.8 6.0 168 106 A 22 PHE H A 52 TRP HZ3 1.0 1.3 6.5 169 107 A 22 PHE HD% A 22 PHE H 1.0 0.6 8.4 170 108 A 37 ALA H A 34 HIS HA 1.0 1.8 6.0 171 109 A 37 ALA H A 36 ASP HA 1.0 1.8 4.3 172 110 A 22 PHE H A 18 SER HA 1.0 1.8 6.0 173 111 A 22 PHE H A 21 PHE HBx 1.0 0.8 7.0 174 111 A 21 PHE HBy A 22 PHE H 1.0 0.8 7.0 175 112 A 37 ALA H A 34 HIS HBx 1.0 0.8 7.0 176 112 A 37 ALA H A 34 HIS HBy 1.0 0.8 7.0 177 113 A 46 LYS H A 46 LYS HEx 1.0 0.3 7.5 178 113 A 46 LYS H A 46 LYS HEy 1.0 0.3 7.5 179 114 A 37 ALA H A 36 ASP HBx 1.0 0.8 7.0 180 114 A 37 ALA H A 36 ASP HBy 1.0 0.8 7.0 181 115 A 22 PHE H A 22 PHE HBy 1.0 0.8 5.3 182 115 A 22 PHE H A 22 PHE HBx 1.0 0.8 5.3 183 116 A 11 LYS H A 9 PRO HBy 1.0 0.8 7.0 184 116 A 11 LYS H A 9 PRO HBx 1.0 0.8 7.0 185 117 A 22 PHE H A 22 PHE HBy 1.0 0.8 5.3 186 117 A 22 PHE H A 22 PHE HBx 1.0 0.8 5.3 187 118 A 22 PHE H A 66 MET HE% 1.0 0.3 7.5 188 119 A 46 LYS H A 46 LYS HGx 1.0 0.3 5.8 189 119 A 46 LYS H A 46 LYS HGy 1.0 0.3 5.8 190 120 A 22 PHE H A 20 ALA HB% 1.0 0.3 7.5 191 121 A 40 ASN H A 40 ASN HBx 1.0 0.8 5.3 192 121 A 40 ASN HBy A 40 ASN H 1.0 0.8 5.3 193 122 A 37 ALA H A 39 VAL HGx% 1.0 0.3 7.5 194 123 A 40 ASN H A 39 VAL H 1.0 1.8 6.0 195 124 A 66 MET H A 69 ALA H 1.0 1.8 6.0 196 125 A 69 ALA H A 70 ASP HA 1.0 1.8 6.0 197 126 A 46 LYS H A 45 SER HBx 1.0 0.8 7.0 198 126 A 46 LYS H A 45 SER HBy 1.0 0.8 7.0 199 127 A 46 LYS H A 46 LYS HBx 1.0 0.8 5.3 200 127 A 46 LYS H A 46 LYS HBy 1.0 0.8 5.3 201 128 A 69 ALA H A 67 ALA HB% 1.0 0.3 7.5 202 129 A 69 ALA H A 68 LYS HD2 1.0 0.3 7.5 203 129 A 69 ALA H A 68 LYS HD3 1.0 0.3 7.5 204 130 A 40 ASN H A 44 PHE HD% 1.0 0.6 8.4 205 131 A 40 ASN H A 39 VAL HA 1.0 1.8 4.3 206 132 A 40 ASN H A 39 VAL HGy% 1.0 0.3 7.5 207 133 A 64 GLU H A 52 TRP HH2 1.0 1.3 6.5 208 134 A 64 GLU H A 63 PHE HD% 1.0 0.6 8.4 209 135 A 64 GLU H A 62 LYS H 1.0 1.8 6.0 210 136 A 64 GLU H A 63 PHE H 1.0 1.8 4.3 211 137 A 64 GLU H A 61 GLY HAx 1.0 0.8 7.0 212 137 A 64 GLU H A 61 GLY HAy 1.0 0.8 7.0 213 138 A 64 GLU H A 63 PHE HBy 1.0 0.8 7.0 214 138 A 64 GLU H A 63 PHE HBx 1.0 0.8 7.0 215 139 A 64 GLU H A 64 GLU HGx 1.0 0.3 5.8 216 139 A 64 GLU H A 64 GLU HGy 1.0 0.3 5.8 217 140 A 64 GLU H A 64 GLU HGx 1.0 0.3 7.5 218 140 A 64 GLU H A 64 GLU HGy 1.0 0.3 7.5 219 141 A 85 LYS H A 84 PRO HBy 1.0 0.8 5.3 220 141 A 84 PRO HBx A 85 LYS H 1.0 0.8 5.3 221 142 A 74 TYR H A 74 TYR HD% 1.0 0.6 8.4 222 143 A 74 TYR H A 73 ARG HDy 1.0 0.3 5.8 223 143 A 74 TYR H A 73 ARG HDx 1.0 0.3 5.8 224 144 A 19 TYR HD% A 20 ALA H 1.0 0.6 8.4 225 145 A 19 TYR H A 17 SER HBy 1.0 0.8 7.0 226 145 A 17 SER HBx A 19 TYR H 1.0 0.8 7.0 227 146 A 85 LYS H A 84 PRO HA 1.0 1.8 3.4 228 147 A 19 TYR H A 20 ALA HA 1.0 1.8 6.0 229 148 A 19 TYR H A 21 PHE HBx 1.0 0.8 7.0 230 148 A 21 PHE HBy A 19 TYR H 1.0 0.8 7.0 231 149 A 85 LYS H A 85 LYS HB2 1.0 0.8 5.3 232 149 A 85 LYS H A 85 LYS HB3 1.0 0.8 5.3 233 150 A 85 LYS H A 85 LYS HGx 1.0 0.3 7.5 234 150 A 85 LYS H A 85 LYS HGy 1.0 0.3 7.5 235 151 A 20 ALA HB% A 19 TYR H 1.0 0.3 7.5 236 152 A 52 TRP HE1 A 19 TYR H 1.0 1.3 6.5 237 153 A 19 TYR H A 18 SER H 1.0 1.8 4.3 238 154 A 20 ALA H A 18 SER H 1.0 1.8 6.0 239 155 A 20 ALA H A 23 VAL H 1.0 1.8 6.0 240 156 A 20 ALA H A 21 PHE H 1.0 1.8 4.3 241 157 A 19 TYR H A 21 PHE H 1.0 1.8 6.0 242 158 A 22 PHE H A 23 VAL H 1.0 1.8 4.3 243 159 A 19 TYR H A 52 TRP HZ2 1.0 1.3 6.5 244 160 A 23 VAL H A 25 THR H 1.0 1.8 6.0 245 161 A 20 ALA H A 21 PHE HD% 1.0 0.6 8.4 246 162 A 24 GLN H A 23 VAL H 1.0 1.8 4.3 247 163 A 20 ALA H A 17 SER HBy 1.0 0.8 7.0 248 163 A 20 ALA H A 17 SER HBx 1.0 0.8 7.0 249 164 A 18 SER HA A 20 ALA H 1.0 1.8 6.0 250 165 A 23 VAL H A 21 PHE HA 1.0 1.8 6.0 251 166 A 19 TYR H A 17 SER HBy 1.0 0.8 7.0 252 166 A 17 SER HBx A 19 TYR H 1.0 0.8 7.0 253 167 A 19 TYR H A 18 SER HBx 1.0 0.8 7.0 254 167 A 18 SER HBy A 19 TYR H 1.0 0.8 7.0 255 168 A 20 ALA H A 21 PHE HBx 1.0 0.8 7.0 256 168 A 21 PHE HBy A 20 ALA H 1.0 0.8 7.0 257 169 A 19 TYR H A 19 TYR HBx 1.0 0.8 5.3 258 169 A 19 TYR HBy A 19 TYR H 1.0 0.8 5.3 259 170 A 20 ALA H A 19 TYR HBx 1.0 0.8 7.0 260 170 A 19 TYR HBy A 20 ALA H 1.0 0.8 7.0 261 171 A 19 TYR H A 19 TYR HBx 1.0 0.8 5.3 262 171 A 19 TYR HBy A 19 TYR H 1.0 0.8 5.3 263 172 A 20 ALA H A 19 TYR HBx 1.0 0.8 5.3 264 172 A 19 TYR HBy A 20 ALA H 1.0 0.8 5.3 265 173 A 23 VAL H A 22 PHE HBy 1.0 0.8 5.3 266 173 A 22 PHE HBx A 23 VAL H 1.0 0.8 5.3 267 174 A 20 ALA H A 16 MET HGx 1.0 0.3 7.5 268 174 A 20 ALA H A 16 MET HGy 1.0 0.3 7.5 269 175 A 20 ALA HB% A 20 ALA H 1.0 0.3 5.8 270 176 A 22 PHE HD% A 23 VAL H 1.0 0.6 8.4 271 177 A 8 ASP H A 7 GLY HA2 1.0 0.8 5.3 272 177 A 7 GLY HA3 A 8 ASP H 1.0 0.8 5.3 273 178 A 23 VAL H A 24 GLN HA 1.0 1.8 6.0 274 179 A 23 VAL H A 21 PHE HBx 1.0 0.8 7.0 275 179 A 21 PHE HBy A 23 VAL H 1.0 0.8 7.0 276 180 A 8 ASP H A 8 ASP HBx 1.0 0.8 7.0 277 180 A 8 ASP H A 8 ASP HBy 1.0 0.8 7.0 278 181 A 8 ASP H A 8 ASP HBx 1.0 0.8 5.3 279 181 A 8 ASP H A 8 ASP HBy 1.0 0.8 5.3 280 182 A 43 GLU H A 43 GLU HB2 1.0 0.8 5.3 281 182 A 43 GLU H A 43 GLU HB3 1.0 0.8 5.3 282 183 A 74 TYR H A 15 LYS HGy 1.0 0.3 7.5 283 183 A 15 LYS HGx A 74 TYR H 1.0 0.3 7.5 284 184 A 65 ASP H A 62 LYS HGx 1.0 0.3 7.5 285 184 A 62 LYS HGy A 65 ASP H 1.0 0.3 7.5 286 185 A 64 GLU H A 65 ASP H 1.0 1.8 4.3 287 186 A 66 MET H A 65 ASP H 1.0 1.8 4.3 288 187 A 41 PHE HD% A 43 GLU H 1.0 0.6 8.4 289 188 A 44 PHE HD% A 43 GLU H 1.0 0.6 8.4 290 189 A 65 ASP H A 62 LYS HA 1.0 1.8 4.3 291 190 A 65 ASP H A 63 PHE HBy 1.0 0.8 7.0 292 190 A 63 PHE HBx A 65 ASP H 1.0 0.8 7.0 293 191 A 50 GLU H A 52 TRP HBx 1.0 0.8 7.0 294 191 A 52 TRP HBy A 50 GLU H 1.0 0.8 7.0 295 192 A 50 GLU H A 48 CYS HBx 1.0 1.8 6.0 296 193 A 65 ASP H A 65 ASP HBx 1.0 0.8 5.3 297 193 A 65 ASP HBy A 65 ASP H 1.0 0.8 5.3 298 194 A 65 ASP H A 65 ASP HBx 1.0 0.8 5.3 299 194 A 65 ASP HBy A 65 ASP H 1.0 0.8 5.3 300 195 A 65 ASP H A 64 GLU HBx 1.0 0.8 5.3 301 195 A 64 GLU HBy A 65 ASP H 1.0 0.8 5.3 302 196 A 74 TYR H A 73 ARG H 1.0 1.8 4.3 303 197 A 39 VAL H A 38 SER H 1.0 1.8 4.3 304 198 A 50 GLU H A 49 SER HBx 1.0 0.8 7.0 305 198 A 50 GLU H A 49 SER HBy 1.0 0.8 7.0 306 199 A 39 VAL H A 38 SER HA 1.0 1.8 4.3 307 200 A 50 GLU H A 50 GLU HBx 1.0 0.8 5.3 308 200 A 50 GLU H A 50 GLU HBy 1.0 0.8 5.3 309 201 A 39 VAL H A 37 ALA HB% 1.0 0.3 7.5 310 202 A 73 ARG H A 73 ARG HDy 1.0 0.3 7.5 311 202 A 73 ARG H A 73 ARG HDx 1.0 0.3 7.5 312 203 A 73 ARG H A 73 ARG HBx 1.0 0.8 5.3 313 203 A 73 ARG H A 73 ARG HBy 1.0 0.8 5.3 314 204 A 73 ARG H A 72 ALA HB% 1.0 0.3 5.8 315 205 A 66 MET H A 62 LYS HGx 1.0 0.3 7.5 316 205 A 66 MET H A 62 LYS HGy 1.0 0.3 7.5 317 206 A 66 MET H A 66 MET HBx 1.0 0.8 5.3 318 206 A 66 MET H A 66 MET HBy 1.0 0.8 5.3 319 207 A 71 LYS H A 72 ALA H 1.0 1.8 4.3 320 208 A 69 ALA H A 71 LYS H 1.0 1.8 6.0 321 209 A 73 ARG H A 72 ALA H 1.0 1.8 4.3 322 210 A 70 ASP HA A 72 ALA H 1.0 1.8 6.0 323 211 A 66 MET H A 63 PHE HA 1.0 1.8 4.3 324 212 A 66 MET H A 62 LYS HA 1.0 1.8 6.0 325 213 A 72 ALA H A 70 ASP HB2 1.0 0.8 7.0 326 213 A 70 ASP HB3 A 72 ALA H 1.0 0.8 7.0 327 214 A 66 MET H A 65 ASP HBx 1.0 0.8 7.0 328 214 A 65 ASP HBy A 66 MET H 1.0 0.8 7.0 329 215 A 66 MET H A 66 MET HGx 1.0 0.3 5.8 330 215 A 66 MET H A 66 MET HGy 1.0 0.3 5.8 331 216 A 72 ALA H A 73 ARG HBx 1.0 0.8 7.0 332 216 A 73 ARG HBy A 72 ALA H 1.0 0.8 7.0 333 217 A 72 ALA H A 71 LYS HBx 1.0 0.8 7.0 334 217 A 72 ALA H A 71 LYS HBy 1.0 0.8 7.0 335 218 A 73 ARG H A 73 ARG HGx 1.0 0.3 7.5 336 218 A 73 ARG H A 73 ARG HGy 1.0 0.3 7.5 337 219 A 72 ALA H A 73 ARG HGx 1.0 0.3 7.5 338 219 A 73 ARG HGy A 72 ALA H 1.0 0.3 7.5 339 220 A 74 TYR H A 72 ALA H 1.0 1.8 6.0 340 221 A 70 ASP H A 71 LYS H 1.0 1.8 4.3 341 222 A 71 LYS H A 69 ALA HA 1.0 1.8 6.0 342 223 A 71 LYS H A 70 ASP HB2 1.0 0.8 5.3 343 223 A 70 ASP HB3 A 71 LYS H 1.0 0.8 5.3 344 224 A 27 ARG H A 27 ARG HD2 1.0 0.3 7.5 345 224 A 27 ARG H A 27 ARG HD3 1.0 0.3 7.5 346 225 A 27 ARG H A 28 GLU HBy 1.0 0.8 7.0 347 225 A 27 ARG H A 28 GLU HBx 1.0 0.8 7.0 348 226 A 71 LYS H A 71 LYS HBx 1.0 0.8 5.3 349 226 A 71 LYS H A 71 LYS HBy 1.0 0.8 5.3 350 227 A 27 ARG H A 27 ARG HB2 1.0 0.8 5.3 351 227 A 27 ARG H A 27 ARG HB3 1.0 0.8 5.3 352 228 A 71 LYS H A 71 LYS HD2 1.0 0.3 7.5 353 228 A 71 LYS H A 71 LYS HD3 1.0 0.3 7.5 354 229 A 27 ARG H A 27 ARG HGy 1.0 0.3 7.5 355 229 A 27 ARG H A 27 ARG HGx 1.0 0.3 7.5 356 230 A 71 LYS H A 71 LYS HG2 1.0 0.3 5.8 357 230 A 71 LYS H A 71 LYS HG3 1.0 0.3 5.8 358 231 A 27 ARG H A 23 VAL HGx% 1.0 0.3 7.5 359 232 A 60 LYS H A 59 GLU H 1.0 1.8 4.3 360 233 A 70 ASP H A 69 ALA H 1.0 1.8 4.3 361 234 A 70 ASP H A 67 ALA HA 1.0 1.8 4.3 362 235 A 59 GLU H A 56 SER HBx 1.0 0.8 7.0 363 235 A 59 GLU H A 56 SER HBy 1.0 0.8 7.0 364 236 A 70 ASP H A 70 ASP HB2 1.0 0.8 5.3 365 236 A 70 ASP HB3 A 70 ASP H 1.0 0.8 5.3 366 237 A 59 GLU H A 59 GLU HBx 1.0 0.8 5.3 367 237 A 59 GLU HBy A 59 GLU H 1.0 0.8 5.3 368 238 A 16 MET H A 15 LYS H 1.0 1.8 6.0 369 239 A 68 LYS H A 70 ASP H 1.0 1.8 6.0 370 240 A 61 GLY H A 59 GLU H 1.0 1.8 6.0 371 241 A 70 ASP H A 72 ALA H 1.0 1.8 6.0 372 242 A 22 PHE HZ A 51 ARG H 1.0 1.3 6.5 373 243 A 15 LYS H A 15 LYS HEy 1.0 0.3 7.5 374 243 A 15 LYS H A 15 LYS HEx 1.0 0.3 7.5 375 244 A 15 LYS H A 14 GLY H 1.0 1.8 6.0 376 245 A 56 SER H A 59 GLU H 1.0 1.8 6.0 377 246 A 15 LYS H A 14 GLY HAx 1.0 0.8 5.3 378 246 A 15 LYS H A 14 GLY HAy 1.0 0.8 5.3 379 247 A 70 ASP H A 66 MET HA 1.0 1.8 6.0 380 248 A 15 LYS H A 14 GLY HAx 1.0 0.8 5.3 381 248 A 15 LYS H A 14 GLY HAy 1.0 0.8 5.3 382 249 A 15 LYS H A 15 LYS HB2 1.0 0.8 5.3 383 249 A 15 LYS HB3 A 15 LYS H 1.0 0.8 5.3 384 250 A 15 LYS H A 15 LYS HGy 1.0 0.3 5.8 385 250 A 15 LYS HGx A 15 LYS H 1.0 0.3 5.8 386 251 A 15 LYS H A 15 LYS HGy 1.0 0.3 5.8 387 251 A 15 LYS HGx A 15 LYS H 1.0 0.3 5.8 388 252 A 56 SER H A 57 ALA H 1.0 1.8 6.0 389 253 A 60 LYS H A 56 SER H 1.0 1.8 6.0 390 254 A 50 GLU H A 51 ARG H 1.0 1.8 4.3 391 255 A 51 ARG H A 48 CYS HA 1.0 1.8 6.0 392 256 A 56 SER H A 55 MET HA 1.0 1.8 3.4 393 257 A 51 ARG H A 52 TRP HBx 1.0 0.8 7.0 394 257 A 52 TRP HBy A 51 ARG H 1.0 0.8 7.0 395 258 A 51 ARG H A 51 ARG HBx 1.0 0.8 5.3 396 258 A 51 ARG HBy A 51 ARG H 1.0 0.8 5.3 397 259 A 51 ARG H A 51 ARG HBx 1.0 0.8 5.3 398 259 A 51 ARG HBy A 51 ARG H 1.0 0.8 5.3 399 260 A 56 SER H A 59 GLU HBx 1.0 0.8 5.3 400 260 A 59 GLU HBy A 56 SER H 1.0 0.8 5.3 401 261 A 63 PHE H A 55 MET HE% 1.0 0.3 7.5 402 262 A 66 MET HE% A 63 PHE H 1.0 0.3 7.5 403 263 A 56 SER H A 55 MET HBx 1.0 0.8 5.3 404 263 A 56 SER H A 55 MET HBy 1.0 0.8 5.3 405 264 A 56 SER H A 60 LYS HGy 1.0 0.3 7.5 406 264 A 60 LYS HGx A 56 SER H 1.0 0.3 7.5 407 265 A 56 SER H A 60 LYS HGy 1.0 0.3 7.5 408 265 A 60 LYS HGx A 56 SER H 1.0 0.3 7.5 409 266 A 63 PHE H A 65 ASP H 1.0 1.8 6.0 410 267 A 76 ARG H A 77 GLU H 1.0 1.8 4.3 411 268 A 63 PHE HD% A 63 PHE H 1.0 0.6 6.7 412 269 A 77 GLU H A 79 LYS H 1.0 1.8 6.0 413 270 A 52 TRP H A 22 PHE HE% 1.0 0.6 8.4 414 271 A 52 TRP H A 22 PHE HZ 1.0 1.3 6.5 415 272 A 52 TRP HH2 A 63 PHE H 1.0 1.3 6.5 416 273 A 52 TRP H A 52 TRP HD1 1.0 1.3 6.5 417 274 A 19 TYR HE% A 52 TRP H 1.0 0.6 8.4 418 275 A 19 TYR HD% A 52 TRP H 1.0 0.6 8.4 419 276 A 78 MET HA A 77 GLU H 1.0 1.8 6.0 420 277 A 77 GLU H A 75 GLU HA 1.0 1.8 6.0 421 278 A 63 PHE H A 63 PHE HBy 1.0 0.8 5.3 422 278 A 63 PHE H A 63 PHE HBx 1.0 0.8 5.3 423 279 A 52 TRP H A 52 TRP HBx 1.0 0.8 5.3 424 279 A 52 TRP HBy A 52 TRP H 1.0 0.8 5.3 425 280 A 77 GLU H A 73 ARG HDy 1.0 0.3 7.5 426 280 A 73 ARG HDx A 77 GLU H 1.0 0.3 7.5 427 281 A 52 TRP H A 51 ARG HBx 1.0 0.8 5.3 428 281 A 52 TRP H A 51 ARG HBy 1.0 0.8 5.3 429 282 A 77 GLU H A 77 GLU HBx 1.0 0.8 5.3 430 282 A 77 GLU H A 77 GLU HBy 1.0 0.8 5.3 431 283 A 63 PHE H A 62 LYS HBx 1.0 0.8 7.0 432 283 A 63 PHE H A 62 LYS HBy 1.0 0.8 7.0 433 284 A 77 GLU H A 76 ARG HGx 1.0 0.3 7.5 434 284 A 77 GLU H A 76 ARG HGy 1.0 0.3 7.5 435 285 A 52 TRP H A 51 ARG H 1.0 1.8 4.3 436 286 A 74 TYR HD% A 77 GLU H 1.0 0.6 8.4 437 287 A 9 PRO HA A 10 LYS H 1.0 1.8 4.3 438 288 A 63 PHE H A 21 PHE HBx 1.0 0.8 7.0 439 288 A 21 PHE HBy A 63 PHE H 1.0 0.8 7.0 440 289 A 52 TRP H A 55 MET HG2 1.0 0.3 7.5 441 289 A 52 TRP H A 55 MET HG3 1.0 0.3 7.5 442 290 A 52 TRP H A 51 ARG HGx 1.0 0.3 7.5 443 290 A 52 TRP H A 51 ARG HGy 1.0 0.3 7.5 444 291 A 10 LYS H A 10 LYS HB2 1.0 0.8 5.3 445 291 A 10 LYS H A 10 LYS HB3 1.0 0.8 5.3 446 292 A 10 LYS H A 11 LYS HBx 1.0 0.8 7.0 447 292 A 11 LYS HBy A 10 LYS H 1.0 0.8 7.0 448 293 A 27 ARG H A 29 GLU H 1.0 1.8 6.0 449 294 A 27 ARG H A 28 GLU H 1.0 1.8 4.3 450 295 A 25 THR H A 28 GLU H 1.0 1.8 6.0 451 296 A 76 ARG H A 72 ALA HA 1.0 1.8 6.0 452 297 A 28 GLU H A 28 GLU HGx 1.0 0.3 7.5 453 297 A 28 GLU H A 28 GLU HGy 1.0 0.3 7.5 454 298 A 28 GLU H A 28 GLU HBy 1.0 0.8 5.3 455 298 A 28 GLU HBx A 28 GLU H 1.0 0.8 5.3 456 299 A 29 GLU H A 29 GLU HBx 1.0 0.8 5.3 457 299 A 29 GLU H A 29 GLU HBy 1.0 0.8 5.3 458 300 A 76 ARG H A 75 GLU HBx 1.0 0.8 5.3 459 300 A 76 ARG H A 75 GLU HBy 1.0 0.8 5.3 460 301 A 76 ARG H A 76 ARG HBx 1.0 0.8 5.3 461 301 A 76 ARG HBy A 76 ARG H 1.0 0.8 5.3 462 302 A 28 GLU H A 27 ARG HB2 1.0 0.8 5.3 463 302 A 27 ARG HB3 A 28 GLU H 1.0 0.8 5.3 464 303 A 17 SER H A 67 ALA HB% 1.0 0.3 7.5 465 304 A 62 LYS H A 63 PHE H 1.0 1.8 4.3 466 305 A 74 TYR HD% A 76 ARG H 1.0 0.6 8.4 467 306 A 62 LYS H A 61 GLY HAx 1.0 0.8 5.3 468 306 A 61 GLY HAy A 62 LYS H 1.0 0.8 5.3 469 307 A 62 LYS H A 63 PHE HBy 1.0 0.8 7.0 470 307 A 62 LYS H A 63 PHE HBx 1.0 0.8 7.0 471 308 A 62 LYS H A 64 GLU HGx 1.0 0.3 7.5 472 308 A 64 GLU HGy A 62 LYS H 1.0 0.3 7.5 473 309 A 62 LYS H A 65 ASP HBx 1.0 0.8 7.0 474 309 A 65 ASP HBy A 62 LYS H 1.0 0.8 7.0 475 310 A 76 ARG H A 76 ARG HGx 1.0 0.3 7.5 476 310 A 76 ARG H A 76 ARG HGy 1.0 0.3 7.5 477 311 A 76 ARG H A 76 ARG HGx 1.0 0.3 7.5 478 311 A 76 ARG H A 76 ARG HGy 1.0 0.3 7.5 479 312 A 62 LYS H A 62 LYS HGx 1.0 0.3 7.5 480 312 A 62 LYS H A 62 LYS HGy 1.0 0.3 7.5 481 313 A 17 SER H A 20 ALA H 1.0 1.8 6.0 482 314 A 48 CYS HA A 47 LYS H 1.0 1.8 6.0 483 315 A 17 SER H A 16 MET HA 1.0 1.8 3.4 484 316 A 17 SER H A 17 SER HBy 1.0 0.8 5.3 485 316 A 17 SER H A 17 SER HBx 1.0 0.8 5.3 486 317 A 47 LYS H A 45 SER HA 1.0 1.8 6.0 487 318 A 48 CYS HBx A 47 LYS H 1.0 1.8 6.0 488 319 A 17 SER H A 16 MET HGx 1.0 0.3 7.5 489 319 A 17 SER H A 16 MET HGy 1.0 0.3 7.5 490 320 A 17 SER H A 20 ALA HA 1.0 1.8 6.0 491 321 A 47 LYS H A 45 SER HBx 1.0 0.8 7.0 492 321 A 45 SER HBy A 47 LYS H 1.0 0.8 7.0 493 322 A 78 MET H A 79 LYS H 1.0 1.8 4.3 494 323 A 80 THR H A 79 LYS H 1.0 1.8 4.3 495 324 A 30 HIS HD2 A 31 LYS H 1.0 1.3 6.5 496 325 A 79 LYS H A 75 GLU HA 1.0 1.8 6.0 497 326 A 79 LYS H A 79 LYS HE2 1.0 0.3 7.5 498 326 A 79 LYS H A 79 LYS HE3 1.0 0.3 7.5 499 327 A 31 LYS H A 30 HIS HBx 1.0 0.8 5.3 500 327 A 31 LYS H A 30 HIS HBy 1.0 0.8 5.3 501 328 A 79 LYS H A 79 LYS HD2 1.0 0.3 5.8 502 328 A 79 LYS HD3 A 79 LYS H 1.0 0.3 5.8 503 329 A 79 LYS H A 80 THR HG2% 1.0 0.3 7.5 504 330 A 30 HIS H A 44 PHE HE% 1.0 0.6 8.4 505 331 A 30 HIS H A 30 HIS HBx 1.0 0.8 5.3 506 331 A 30 HIS HBy A 30 HIS H 1.0 0.8 5.3 507 332 A 30 HIS H A 30 HIS HBx 1.0 0.8 5.3 508 332 A 30 HIS HBy A 30 HIS H 1.0 0.8 5.3 509 333 A 41 PHE HD% A 44 PHE H 1.0 0.6 8.4 510 334 A 45 SER HA A 44 PHE H 1.0 1.8 6.0 511 335 A 44 PHE H A 45 SER HBx 1.0 0.8 7.0 512 335 A 45 SER HBy A 44 PHE H 1.0 0.8 7.0 513 336 A 44 PHE H A 44 PHE HBx 1.0 0.8 5.3 514 336 A 44 PHE HBy A 44 PHE H 1.0 0.8 5.3 515 337 A 44 PHE H A 43 GLU HB2 1.0 0.8 7.0 516 337 A 43 GLU HB3 A 44 PHE H 1.0 0.8 7.0 517 338 A 44 PHE HD% A 44 PHE H 1.0 0.6 8.4 518 339 A 44 PHE H A 44 PHE HBx 1.0 0.8 5.3 519 339 A 44 PHE HBy A 44 PHE H 1.0 0.8 5.3 520 340 A 39 VAL HGy% A 44 PHE H 1.0 0.3 7.5 521 341 A 57 ALA H A 58 LYS H 1.0 1.8 6.0 522 342 A 59 GLU H A 58 LYS H 1.0 1.8 4.3 523 343 A 58 LYS H A 56 SER HBx 1.0 0.8 5.3 524 343 A 56 SER HBy A 58 LYS H 1.0 0.8 5.3 525 344 A 58 LYS H A 59 GLU HG2 1.0 0.3 7.5 526 344 A 58 LYS H A 59 GLU HG3 1.0 0.3 7.5 527 345 A 58 LYS H A 59 GLU HBx 1.0 0.8 7.0 528 345 A 59 GLU HBy A 58 LYS H 1.0 0.8 7.0 529 346 A 58 LYS H A 58 LYS HBx 1.0 0.8 5.3 530 346 A 58 LYS H A 58 LYS HBy 1.0 0.8 5.3 531 347 A 57 ALA HB% A 58 LYS H 1.0 0.3 5.8 532 348 A 61 GLY H A 58 LYS H 1.0 1.8 6.0 533 349 A 24 GLN H A 21 PHE HA 1.0 1.8 6.0 534 350 A 24 GLN H A 24 GLN HB2 1.0 0.8 5.3 535 350 A 24 GLN H A 24 GLN HB3 1.0 0.8 5.3 536 351 A 24 GLN H A 20 ALA HB% 1.0 0.3 7.5 537 352 A 24 GLN H A 23 VAL HGx% 1.0 0.3 7.5 538 353 A 21 PHE H A 23 VAL HGy% 1.0 0.3 7.5 539 354 A 36 ASP H A 34 HIS HA 1.0 1.8 6.0 540 355 A 36 ASP H A 35 PRO HA 1.0 1.8 4.3 541 356 A 36 ASP H A 35 PRO HDx 1.0 0.8 7.0 542 356 A 36 ASP H A 35 PRO HDy 1.0 0.8 7.0 543 357 A 36 ASP H A 35 PRO HDx 1.0 0.8 7.0 544 357 A 36 ASP H A 35 PRO HDy 1.0 0.8 7.0 545 358 A 36 ASP H A 34 HIS HBx 1.0 0.8 7.0 546 358 A 36 ASP H A 34 HIS HBy 1.0 0.8 7.0 547 359 A 36 ASP H A 36 ASP HBx 1.0 0.8 5.3 548 359 A 36 ASP H A 36 ASP HBy 1.0 0.8 5.3 549 360 A 36 ASP H A 35 PRO HBy 1.0 0.8 7.0 550 360 A 36 ASP H A 35 PRO HBx 1.0 0.8 7.0 551 361 A 36 ASP H A 35 PRO HG2 1.0 0.8 5.3 552 361 A 36 ASP H A 35 PRO HG3 1.0 0.8 5.3 553 362 A 60 LYS H A 60 LYS HBx 1.0 0.8 5.3 554 362 A 60 LYS H A 60 LYS HBy 1.0 0.8 5.3 555 363 A 36 ASP H A 37 ALA HB% 1.0 0.3 7.5 556 364 A 23 VAL H A 21 PHE H 1.0 1.8 6.0 557 365 A 21 PHE H A 21 PHE HD% 1.0 0.6 6.7 558 366 A 18 SER HA A 21 PHE H 1.0 1.8 6.0 559 367 A 30 HIS HA A 32 LYS H 1.0 1.8 6.0 560 368 A 21 PHE H A 21 PHE HBx 1.0 0.8 5.3 561 368 A 21 PHE HBy A 21 PHE H 1.0 0.8 5.3 562 369 A 60 LYS H A 64 GLU HGx 1.0 0.3 7.5 563 369 A 60 LYS H A 64 GLU HGy 1.0 0.3 7.5 564 370 A 21 PHE H A 22 PHE HBy 1.0 0.8 7.0 565 370 A 22 PHE HBx A 21 PHE H 1.0 0.8 7.0 566 371 A 21 PHE H A 24 GLN HGx 1.0 0.3 7.5 567 371 A 21 PHE H A 24 GLN HGy 1.0 0.3 7.5 568 372 A 60 LYS H A 59 GLU HBx 1.0 0.8 5.3 569 372 A 60 LYS H A 59 GLU HBy 1.0 0.8 5.3 570 373 A 21 PHE H A 16 MET HGx 1.0 0.3 7.5 571 373 A 21 PHE H A 16 MET HGy 1.0 0.3 7.5 572 374 A 32 LYS H A 28 GLU HBy 1.0 0.8 7.0 573 374 A 28 GLU HBx A 32 LYS H 1.0 0.8 7.0 574 375 A 78 MET H A 78 MET HB2 1.0 0.8 5.3 575 375 A 78 MET H A 78 MET HB3 1.0 0.8 5.3 576 376 A 32 LYS H A 31 LYS HBx 1.0 0.8 7.0 577 376 A 32 LYS H A 31 LYS HBy 1.0 0.8 7.0 578 377 A 32 LYS H A 32 LYS HBx 1.0 0.8 7.0 579 377 A 32 LYS H A 32 LYS HBy 1.0 0.8 7.0 580 378 A 32 LYS H A 32 LYS HGx 1.0 0.3 5.8 581 378 A 32 LYS H A 32 LYS HGy 1.0 0.3 5.8 582 379 A 32 LYS H A 32 LYS HGx 1.0 0.3 7.5 583 379 A 32 LYS H A 32 LYS HGy 1.0 0.3 7.5 584 380 A 20 ALA HB% A 21 PHE H 1.0 0.3 5.8 585 381 A 60 LYS H A 60 LYS HGy 1.0 0.3 5.8 586 381 A 60 LYS H A 60 LYS HGx 1.0 0.3 5.8 587 382 A 60 LYS H A 60 LYS HDy 1.0 0.3 7.5 588 382 A 60 LYS HDx A 60 LYS H 1.0 0.3 7.5 589 383 A 60 LYS H A 60 LYS HGy 1.0 0.3 7.5 590 383 A 60 LYS H A 60 LYS HGx 1.0 0.3 7.5 591 384 A 78 MET H A 79 LYS HG2 1.0 0.3 7.5 592 384 A 78 MET H A 79 LYS HG3 1.0 0.3 7.5 593 385 A 78 MET H A 80 THR HG2% 1.0 0.3 7.5 594 386 A 76 ARG H A 75 GLU H 1.0 1.8 4.3 595 387 A 75 GLU H A 74 TYR HBx 1.0 0.8 7.0 596 387 A 75 GLU H A 74 TYR HBy 1.0 0.8 7.0 597 388 A 50 GLU H A 49 SER H 1.0 1.8 4.3 598 389 A 19 TYR HE% A 49 SER H 1.0 0.6 8.4 599 390 A 49 SER H A 49 SER HBx 1.0 0.8 5.3 600 390 A 49 SER HBy A 49 SER H 1.0 0.8 5.3 601 391 A 30 HIS HA A 33 LYS H 1.0 1.8 6.0 602 392 A 49 SER H A 49 SER HBx 1.0 0.8 5.3 603 392 A 49 SER HBy A 49 SER H 1.0 0.8 5.3 604 393 A 45 SER HA A 49 SER H 1.0 1.8 6.0 605 394 A 49 SER H A 52 TRP HBx 1.0 0.8 7.0 606 394 A 52 TRP HBy A 49 SER H 1.0 0.8 7.0 607 395 A 48 CYS HBx A 49 SER H 1.0 1.8 4.3 608 396 A 33 LYS H A 32 LYS HEx 1.0 0.3 7.5 609 396 A 33 LYS H A 32 LYS HEy 1.0 0.3 7.5 610 397 A 33 LYS H A 33 LYS HE2 1.0 0.3 7.5 611 397 A 33 LYS H A 33 LYS HE3 1.0 0.3 7.5 612 398 A 49 SER H A 50 GLU HGx 1.0 0.3 7.5 613 398 A 49 SER H A 50 GLU HGy 1.0 0.3 7.5 614 399 A 49 SER H A 51 ARG HBx 1.0 0.8 7.0 615 399 A 51 ARG HBy A 49 SER H 1.0 0.8 7.0 616 400 A 49 SER H A 50 GLU HBx 1.0 0.8 7.0 617 400 A 50 GLU HBy A 49 SER H 1.0 0.8 7.0 618 401 A 49 SER H A 47 LYS HBx 1.0 0.8 7.0 619 401 A 49 SER H A 47 LYS HBy 1.0 0.8 7.0 620 402 A 33 LYS H A 33 LYS HBx 1.0 0.8 5.3 621 402 A 33 LYS H A 33 LYS HBy 1.0 0.8 5.3 622 403 A 33 LYS H A 33 LYS HBx 1.0 0.8 5.3 623 403 A 33 LYS H A 33 LYS HBy 1.0 0.8 5.3 624 404 A 47 LYS H A 49 SER H 1.0 1.8 6.0 625 405 A 51 ARG H A 49 SER H 1.0 1.8 6.0 626 406 A 22 PHE HE% A 49 SER H 1.0 0.6 8.4 627 407 A 34 HIS HA A 33 LYS H 1.0 1.8 6.0 628 408 A 18 SER H A 21 PHE HBx 1.0 0.8 7.0 629 408 A 21 PHE HBy A 18 SER H 1.0 0.8 7.0 630 409 A 18 SER H A 64 GLU HGx 1.0 0.3 7.5 631 409 A 64 GLU HGy A 18 SER H 1.0 0.3 7.5 632 410 A 43 GLU H A 42 SER H 1.0 1.8 6.0 633 411 A 33 LYS H A 34 HIS H 1.0 1.8 4.3 634 412 A 18 SER H A 21 PHE HD% 1.0 0.6 8.4 635 413 A 18 SER H A 17 SER HA 1.0 1.8 4.3 636 414 A 30 HIS HA A 34 HIS H 1.0 1.8 6.0 637 415 A 18 SER H A 18 SER HBx 1.0 0.8 5.3 638 415 A 18 SER HBy A 18 SER H 1.0 0.8 5.3 639 416 A 18 SER H A 18 SER HBx 1.0 0.8 5.3 640 416 A 18 SER HBy A 18 SER H 1.0 0.8 5.3 641 417 A 42 SER H A 42 SER HB2 1.0 0.8 5.3 642 417 A 42 SER H A 42 SER HB3 1.0 0.8 5.3 643 418 A 34 HIS H A 35 PRO HDx 1.0 0.8 7.0 644 418 A 35 PRO HDy A 34 HIS H 1.0 0.8 7.0 645 419 A 42 SER H A 41 PHE HBx 1.0 0.8 7.0 646 419 A 41 PHE HBy A 42 SER H 1.0 0.8 7.0 647 420 A 34 HIS H A 34 HIS HBx 1.0 0.8 7.0 648 420 A 34 HIS HBy A 34 HIS H 1.0 0.8 7.0 649 421 A 34 HIS H A 34 HIS HBx 1.0 0.8 5.3 650 421 A 34 HIS HBy A 34 HIS H 1.0 0.8 5.3 651 422 A 34 HIS H A 35 PRO HG2 1.0 0.8 7.0 652 422 A 35 PRO HG3 A 34 HIS H 1.0 0.8 7.0 653 423 A 34 HIS H A 32 LYS HBx 1.0 0.8 7.0 654 423 A 32 LYS HBy A 34 HIS H 1.0 0.8 7.0 655 424 A 67 ALA HB% A 18 SER H 1.0 0.3 5.8 656 425 A 34 HIS H A 33 LYS HBx 1.0 0.8 7.0 657 425 A 33 LYS HBy A 34 HIS H 1.0 0.8 7.0 658 426 A 34 HIS H A 33 LYS HBx 1.0 0.8 5.3 659 426 A 33 LYS HBy A 34 HIS H 1.0 0.8 5.3 660 427 A 20 ALA HB% A 18 SER H 1.0 0.3 7.5 661 428 A 36 ASP H A 34 HIS H 1.0 1.8 6.0 662 429 A 41 PHE HD% A 42 SER H 1.0 0.6 8.4 663 430 A 35 PRO HA A 34 HIS H 1.0 1.8 6.0 664 431 A 41 PHE HD% A 45 SER H 1.0 0.6 8.4 665 432 A 44 PHE HD% A 45 SER H 1.0 0.6 8.4 666 433 A 45 SER H A 41 PHE HA 1.0 1.8 6.0 667 434 A 45 SER H A 42 SER HA 1.0 1.8 6.0 668 435 A 45 SER H A 45 SER HBx 1.0 0.8 5.3 669 435 A 45 SER HBy A 45 SER H 1.0 0.8 5.3 670 436 A 45 SER H A 44 PHE HBx 1.0 0.8 7.0 671 436 A 44 PHE HBy A 45 SER H 1.0 0.8 7.0 672 437 A 45 SER H A 44 PHE HBx 1.0 0.8 7.0 673 437 A 44 PHE HBy A 45 SER H 1.0 0.8 7.0 674 438 A 45 SER H A 46 LYS HBx 1.0 0.8 7.0 675 438 A 46 LYS HBy A 45 SER H 1.0 0.8 7.0 676 439 A 37 ALA H A 38 SER H 1.0 1.8 6.0 677 440 A 38 SER H A 37 ALA HB% 1.0 0.3 5.8 678 441 A 25 THR H A 27 ARG H 1.0 1.8 6.0 679 442 A 22 PHE H A 25 THR H 1.0 1.8 6.0 680 443 A 24 GLN H A 25 THR H 1.0 1.8 4.3 681 444 A 22 PHE HD% A 25 THR H 1.0 0.6 8.4 682 445 A 25 THR H A 22 PHE HA 1.0 1.8 6.0 683 446 A 26 CYS HBx A 25 THR H 1.0 1.8 6.0 684 447 A 25 THR H A 24 GLN HGx 1.0 0.3 7.5 685 447 A 25 THR H A 24 GLN HGy 1.0 0.3 7.5 686 448 A 25 THR H A 23 VAL HGx% 1.0 0.3 7.5 687 449 A 52 TRP H A 53 LYS H 1.0 1.8 4.3 688 450 A 53 LYS H A 51 ARG HA 1.0 1.8 6.0 689 451 A 53 LYS H A 52 TRP HBx 1.0 0.8 5.3 690 451 A 52 TRP HBy A 53 LYS H 1.0 0.8 5.3 691 452 A 53 LYS H A 51 ARG HBx 1.0 0.8 7.0 692 452 A 53 LYS H A 51 ARG HBy 1.0 0.8 7.0 693 453 A 53 LYS H A 53 LYS HGy 1.0 0.3 5.8 694 453 A 53 LYS HGx A 53 LYS H 1.0 0.3 5.8 695 454 A 53 LYS H A 53 LYS HEx 1.0 0.3 7.5 696 454 A 53 LYS H A 53 LYS HEy 1.0 0.3 7.5 697 455 A 40 ASN H A 40 ASN HD2x 1.0 0.3 7.5 698 455 A 40 ASN H A 40 ASN HD2y 1.0 0.3 7.5 699 456 A 40 ASN HD2y A 42 SER HB2 1.0 0.7 8.5 700 456 A 40 ASN HD2x A 42 SER HB2 1.0 0.7 8.5 701 456 A 42 SER HB3 A 40 ASN HD2x 1.0 0.7 8.5 702 456 A 42 SER HB3 A 40 ASN HD2y 1.0 0.7 8.5 703 457 A 40 ASN HD2y A 43 GLU HGy 1.0 1.2 9.0 704 457 A 40 ASN HD2x A 43 GLU HGy 1.0 1.2 9.0 705 457 A 43 GLU HGx A 40 ASN HD2x 1.0 1.2 9.0 706 457 A 40 ASN HD2y A 43 GLU HGx 1.0 1.2 9.0 707 458 A 40 ASN HD2y A 43 GLU HB2 1.0 0.7 8.5 708 458 A 40 ASN HD2x A 43 GLU HB2 1.0 0.7 8.5 709 458 A 43 GLU HB3 A 40 ASN HD2x 1.0 0.7 8.5 710 458 A 43 GLU HB3 A 40 ASN HD2y 1.0 0.7 8.5 711 459 A 42 SER H A 40 ASN HD2x 1.0 0.3 7.5 712 459 A 42 SER H A 40 ASN HD2y 1.0 0.3 7.5 713 460 A 43 GLU H A 40 ASN HD2x 1.0 0.3 7.5 714 460 A 43 GLU H A 40 ASN HD2y 1.0 0.3 7.5 715 461 A 40 ASN HD2y A 42 SER HB2 1.0 0.7 8.5 716 461 A 40 ASN HD2x A 42 SER HB2 1.0 0.7 8.5 717 461 A 42 SER HB3 A 40 ASN HD2x 1.0 0.7 8.5 718 461 A 42 SER HB3 A 40 ASN HD2y 1.0 0.7 8.5 719 462 A 40 ASN HBx A 40 ASN HD2x 1.0 0.7 6.8 720 462 A 40 ASN HBy A 40 ASN HD2x 1.0 0.7 6.8 721 462 A 40 ASN HD2y A 40 ASN HBx 1.0 0.7 6.8 722 462 A 40 ASN HBy A 40 ASN HD2y 1.0 0.7 6.8 723 463 A 40 ASN HD2y A 43 GLU HB2 1.0 0.7 8.5 724 463 A 40 ASN HD2x A 43 GLU HB2 1.0 0.7 8.5 725 463 A 43 GLU HB3 A 40 ASN HD2x 1.0 0.7 8.5 726 463 A 43 GLU HB3 A 40 ASN HD2y 1.0 0.7 8.5 727 464 A 24 GLN HB2 A 24 GLN HE2y 1.0 0.7 8.5 728 464 A 24 GLN HB3 A 24 GLN HE2y 1.0 0.7 8.5 729 464 A 24 GLN HE2x A 24 GLN HB2 1.0 0.7 8.5 730 464 A 24 GLN HB3 A 24 GLN HE2x 1.0 0.7 8.5 731 465 A 24 GLN HA A 24 GLN HE2y 1.0 0.3 7.5 732 465 A 24 GLN HA A 24 GLN HE2x 1.0 0.3 7.5 733 466 A 24 GLN HB2 A 24 GLN HE2y 1.0 0.7 8.5 734 466 A 24 GLN HB3 A 24 GLN HE2y 1.0 0.7 8.5 735 466 A 24 GLN HE2x A 24 GLN HB2 1.0 0.7 8.5 736 466 A 24 GLN HB3 A 24 GLN HE2x 1.0 0.7 8.5 737 467 A 86 GLY H A 84 PRO HBy 1.0 0.8 7.0 738 467 A 86 GLY H A 84 PRO HBx 1.0 0.8 7.0 739 468 A 14 GLY H A 74 TYR HE% 1.0 0.6 8.4 740 469 A 13 ARG H A 14 GLY H 1.0 1.8 6.0 741 470 A 74 TYR HD% A 14 GLY H 1.0 0.6 8.4 742 471 A 14 GLY H A 13 ARG HDx 1.0 0.3 7.5 743 471 A 14 GLY H A 13 ARG HDy 1.0 0.3 7.5 744 472 A 14 GLY H A 74 TYR HBx 1.0 0.8 7.0 745 472 A 14 GLY H A 74 TYR HBy 1.0 0.8 7.0 746 473 A 14 GLY H A 13 ARG HB2 1.0 0.8 5.3 747 473 A 13 ARG HB3 A 14 GLY H 1.0 0.8 5.3 748 474 A 82 ILE H A 81 TYR HE% 1.0 0.6 8.4 749 475 A 82 ILE H A 81 TYR HA 1.0 1.8 3.4 750 476 A 82 ILE H A 83 PRO HDx 1.0 0.8 7.0 751 476 A 82 ILE H A 83 PRO HDy 1.0 0.8 7.0 752 477 A 82 ILE H A 81 TYR HBx 1.0 0.8 7.0 753 477 A 81 TYR HBy A 82 ILE H 1.0 0.8 7.0 754 478 A 82 ILE H A 78 MET HE% 1.0 0.3 7.5 755 479 A 82 ILE H A 82 ILE HG1x 1.0 0.8 7.0 756 479 A 82 ILE H A 82 ILE HG1y 1.0 0.8 7.0 757 480 A 86 GLY H A 85 LYS HB2 1.0 0.8 7.0 758 480 A 86 GLY H A 85 LYS HB3 1.0 0.8 7.0 759 481 A 86 GLY H A 85 LYS HGx 1.0 0.3 7.5 760 481 A 86 GLY H A 85 LYS HGy 1.0 0.3 7.5 761 482 A 68 LYS H A 68 LYS HGx 1.0 0.3 5.8 762 482 A 68 LYS H A 68 LYS HGy 1.0 0.3 5.8 763 483 A 74 TYR H A 73 ARG HGx 1.0 0.3 5.8 764 483 A 74 TYR H A 73 ARG HGy 1.0 0.3 5.8 765 484 A 68 LYS H A 65 ASP HA 1.0 1.8 6.0 766 485 A 68 LYS H A 66 MET H 1.0 1.8 6.0 767 486 A 68 LYS H A 69 ALA H 1.0 1.8 4.3 768 487 A 63 PHE H A 64 GLU HGx 1.0 0.3 7.5 769 487 A 64 GLU HGy A 63 PHE H 1.0 0.3 7.5 770 488 A 30 HIS H A 28 GLU HGx 1.0 0.3 7.5 771 488 A 28 GLU HGy A 30 HIS H 1.0 0.3 7.5 772 489 A 30 HIS H A 29 GLU HBx 1.0 0.8 7.0 773 489 A 29 GLU HBy A 30 HIS H 1.0 0.8 7.0 774 490 A 30 HIS H A 27 ARG HB2 1.0 0.8 7.0 775 490 A 27 ARG HB3 A 30 HIS H 1.0 0.8 7.0 776 491 A 29 GLU H A 30 HIS H 1.0 1.8 4.3 777 492 A 74 TYR H A 73 ARG HBx 1.0 0.8 7.0 778 492 A 74 TYR H A 73 ARG HBy 1.0 0.8 7.0 779 493 A 59 GLU H A 58 LYS HG2 1.0 0.3 7.5 780 493 A 59 GLU H A 58 LYS HG3 1.0 0.3 7.5 781 494 A 59 GLU H A 60 LYS HGy 1.0 0.3 7.5 782 494 A 60 LYS HGx A 59 GLU H 1.0 0.3 7.5 783 495 A 70 ASP H A 71 LYS HD2 1.0 0.3 7.5 784 495 A 70 ASP H A 71 LYS HD3 1.0 0.3 7.5 785 496 A 70 ASP H A 68 LYS HB2 1.0 0.8 7.0 786 496 A 70 ASP H A 68 LYS HB3 1.0 0.8 7.0 787 497 A 40 ASN H A 43 GLU HGy 1.0 0.3 7.5 788 497 A 40 ASN H A 43 GLU HGx 1.0 0.3 7.5 789 498 A 43 GLU H A 44 PHE HBx 1.0 0.8 7.0 790 498 A 44 PHE HBy A 43 GLU H 1.0 0.8 7.0 791 499 A 43 GLU H A 42 SER HB2 1.0 0.8 5.3 792 499 A 43 GLU H A 42 SER HB3 1.0 0.8 5.3 793 500 A 73 ARG H A 70 ASP HA 1.0 1.8 6.0 794 501 A 31 LYS H A 31 LYS HBx 1.0 0.8 5.3 795 501 A 31 LYS H A 31 LYS HBy 1.0 0.8 5.3 796 502 A 71 LYS H A 15 LYS HGy 1.0 0.3 7.5 797 502 A 15 LYS HGx A 71 LYS H 1.0 0.3 7.5 798 503 A 82 ILE H A 82 ILE HD1% 1.0 0.3 7.5 799 504 A 78 MET HA A 82 ILE HD1% 1.0 0.3 7.5 800 505 A 78 MET HE% A 82 ILE HD1% 1.0 1.2 9.0 801 506 A 82 ILE HD1% A 82 ILE HB 1.0 0.3 5.8 802 507 A 13 ARG HB3 A 14 GLY HAx 1.0 0.2 8.0 803 507 A 14 GLY HAy A 13 ARG HB2 1.0 0.2 8.0 804 507 A 13 ARG HB3 A 14 GLY HAy 1.0 0.2 8.0 805 507 A 13 ARG HB2 A 14 GLY HAx 1.0 0.2 8.0 806 508 A 74 TYR HD% A 14 GLY HAx 1.0 1.6 9.4 807 508 A 74 TYR HD% A 14 GLY HAy 1.0 1.6 9.4 808 509 A 85 LYS HB2 A 86 GLY HA2 1.0 0.2 8.0 809 509 A 85 LYS HB3 A 86 GLY HA2 1.0 0.2 8.0 810 509 A 86 GLY HA3 A 85 LYS HB2 1.0 0.2 8.0 811 509 A 85 LYS HB3 A 86 GLY HA3 1.0 0.2 8.0 812 510 A 14 GLY HAx A 15 LYS HB2 1.0 0.2 8.0 813 510 A 14 GLY HAy A 15 LYS HB2 1.0 0.2 8.0 814 510 A 15 LYS HB3 A 14 GLY HAx 1.0 0.2 8.0 815 510 A 15 LYS HB3 A 14 GLY HAy 1.0 0.2 8.0 816 511 A 52 TRP H A 51 ARG HDx 1.0 0.3 7.5 817 511 A 52 TRP H A 51 ARG HDy 1.0 0.3 7.5 818 512 A 51 ARG H A 51 ARG HDx 1.0 0.3 7.5 819 512 A 51 ARG H A 51 ARG HDy 1.0 0.3 7.5 820 513 A 51 ARG H A 51 ARG HDx 1.0 0.3 7.5 821 513 A 51 ARG H A 51 ARG HDy 1.0 0.3 7.5 822 514 A 22 PHE HZ A 51 ARG HDx 1.0 0.2 8.0 823 514 A 22 PHE HZ A 51 ARG HDy 1.0 0.2 8.0 824 515 A 22 PHE HZ A 51 ARG HDx 1.0 0.2 8.0 825 515 A 22 PHE HZ A 51 ARG HDy 1.0 0.2 8.0 826 516 A 48 CYS HA A 51 ARG HDx 1.0 0.3 7.5 827 516 A 48 CYS HA A 51 ARG HDy 1.0 0.3 7.5 828 517 A 48 CYS HA A 51 ARG HDx 1.0 0.3 7.5 829 517 A 48 CYS HA A 51 ARG HDy 1.0 0.3 7.5 830 518 A 51 ARG HA A 51 ARG HDx 1.0 0.3 7.5 831 518 A 51 ARG HA A 51 ARG HDy 1.0 0.3 7.5 832 519 A 51 ARG HA A 51 ARG HDx 1.0 0.3 7.5 833 519 A 51 ARG HA A 51 ARG HDy 1.0 0.3 7.5 834 520 A 51 ARG HBx A 51 ARG HDx 1.0 0.7 6.8 835 520 A 51 ARG HDy A 51 ARG HBx 1.0 0.7 6.8 836 520 A 51 ARG HBy A 51 ARG HDy 1.0 0.7 6.8 837 520 A 51 ARG HBy A 51 ARG HDx 1.0 0.7 6.8 838 521 A 51 ARG HBx A 51 ARG HDx 1.0 0.7 8.5 839 521 A 51 ARG HDy A 51 ARG HBx 1.0 0.7 8.5 840 521 A 51 ARG HBy A 51 ARG HDy 1.0 0.7 8.5 841 521 A 51 ARG HBy A 51 ARG HDx 1.0 0.7 8.5 842 522 A 51 ARG HBx A 51 ARG HDx 1.0 0.7 8.5 843 522 A 51 ARG HDy A 51 ARG HBx 1.0 0.7 8.5 844 522 A 51 ARG HBy A 51 ARG HDy 1.0 0.7 8.5 845 522 A 51 ARG HBy A 51 ARG HDx 1.0 0.7 8.5 846 523 A 28 GLU H A 27 ARG HD2 1.0 0.3 7.5 847 523 A 27 ARG HD3 A 28 GLU H 1.0 0.3 7.5 848 524 A 41 PHE HD% A 27 ARG HD2 1.0 2.1 9.9 849 524 A 41 PHE HD% A 27 ARG HD3 1.0 2.1 9.9 850 525 A 24 GLN HA A 27 ARG HD2 1.0 0.3 5.8 851 525 A 24 GLN HA A 27 ARG HD3 1.0 0.3 5.8 852 526 A 27 ARG HB3 A 27 ARG HD2 1.0 0.7 6.8 853 526 A 27 ARG HB2 A 27 ARG HD2 1.0 0.7 6.8 854 526 A 27 ARG HD3 A 27 ARG HB2 1.0 0.7 6.8 855 526 A 27 ARG HD3 A 27 ARG HB3 1.0 0.7 6.8 856 527 A 23 VAL HGx% A 27 ARG HD2 1.0 1.2 7.3 857 527 A 27 ARG HD3 A 23 VAL HGx% 1.0 1.2 7.3 858 528 A 77 GLU H A 76 ARG HD2 1.0 0.3 7.5 859 528 A 77 GLU H A 76 ARG HD3 1.0 0.3 7.5 860 529 A 76 ARG H A 76 ARG HD2 1.0 0.3 7.5 861 529 A 76 ARG H A 76 ARG HD3 1.0 0.3 7.5 862 530 A 76 ARG HA A 76 ARG HD2 1.0 0.3 7.5 863 530 A 76 ARG HD3 A 76 ARG HA 1.0 0.3 7.5 864 531 A 24 GLN HB3 A 27 ARG HD2 1.0 0.7 8.5 865 531 A 27 ARG HD3 A 24 GLN HB2 1.0 0.7 8.5 866 531 A 27 ARG HD3 A 24 GLN HB3 1.0 0.7 8.5 867 531 A 24 GLN HB2 A 27 ARG HD2 1.0 0.7 8.5 868 532 A 76 ARG HBx A 76 ARG HD2 1.0 0.7 6.8 869 532 A 76 ARG HBy A 76 ARG HD2 1.0 0.7 6.8 870 532 A 76 ARG HD3 A 76 ARG HBx 1.0 0.7 6.8 871 532 A 76 ARG HBy A 76 ARG HD3 1.0 0.7 6.8 872 533 A 76 ARG HD3 A 76 ARG HGx 1.0 1.2 6.4 873 533 A 76 ARG HD2 A 76 ARG HGx 1.0 1.2 6.4 874 533 A 76 ARG HGy A 76 ARG HD2 1.0 1.2 6.4 875 533 A 76 ARG HGy A 76 ARG HD3 1.0 1.2 6.4 876 534 A 13 ARG H A 13 ARG HDx 1.0 0.3 7.5 877 534 A 13 ARG H A 13 ARG HDy 1.0 0.3 7.5 878 535 A 13 ARG H A 13 ARG HDx 1.0 0.3 7.5 879 535 A 13 ARG H A 13 ARG HDy 1.0 0.3 7.5 880 536 A 13 ARG HA A 13 ARG HDx 1.0 0.3 7.5 881 536 A 13 ARG HDy A 13 ARG HA 1.0 0.3 7.5 882 537 A 69 ALA H A 70 ASP HB2 1.0 0.8 7.0 883 537 A 70 ASP HB3 A 69 ALA H 1.0 0.8 7.0 884 538 A 21 PHE HE% A 70 ASP HB2 1.0 1.6 7.7 885 538 A 21 PHE HE% A 70 ASP HB3 1.0 1.6 7.7 886 539 A 66 MET HA A 70 ASP HB2 1.0 0.8 7.0 887 539 A 70 ASP HB3 A 66 MET HA 1.0 0.8 7.0 888 540 A 73 ARG H A 73 ARG HDy 1.0 0.3 7.5 889 540 A 73 ARG H A 73 ARG HDx 1.0 0.3 7.5 890 541 A 74 TYR HE% A 73 ARG HDy 1.0 2.1 9.9 891 541 A 73 ARG HDx A 74 TYR HE% 1.0 2.1 9.9 892 542 A 71 LYS HA A 70 ASP HB2 1.0 0.8 7.0 893 542 A 70 ASP HB3 A 71 LYS HA 1.0 0.8 7.0 894 543 A 73 ARG HA A 73 ARG HDy 1.0 0.3 7.5 895 543 A 73 ARG HA A 73 ARG HDx 1.0 0.3 7.5 896 544 A 73 ARG HDy A 73 ARG HGx 1.0 1.2 6.4 897 544 A 73 ARG HDx A 73 ARG HGx 1.0 1.2 6.4 898 544 A 73 ARG HGy A 73 ARG HDy 1.0 1.2 6.4 899 544 A 73 ARG HGy A 73 ARG HDx 1.0 1.2 6.4 900 545 A 15 LYS HDx A 70 ASP HB2 1.0 0.7 6.8 901 545 A 15 LYS HDy A 70 ASP HB2 1.0 0.7 6.8 902 545 A 70 ASP HB3 A 15 LYS HDy 1.0 0.7 6.8 903 545 A 70 ASP HB3 A 15 LYS HDx 1.0 0.7 6.8 904 546 A 74 TYR H A 73 ARG HDy 1.0 0.3 7.5 905 546 A 74 TYR H A 73 ARG HDx 1.0 0.3 7.5 906 547 A 78 MET H A 79 LYS HE2 1.0 0.3 7.5 907 547 A 78 MET H A 79 LYS HE3 1.0 0.3 7.5 908 548 A 49 SER H A 47 LYS HEx 1.0 0.3 7.5 909 548 A 49 SER H A 47 LYS HEy 1.0 0.3 7.5 910 549 A 50 GLU H A 47 LYS HEx 1.0 0.3 7.5 911 549 A 50 GLU H A 47 LYS HEy 1.0 0.3 7.5 912 550 A 47 LYS H A 46 LYS HEx 1.0 0.3 7.5 913 550 A 46 LYS HEy A 47 LYS H 1.0 0.3 7.5 914 551 A 32 LYS H A 32 LYS HEx 1.0 0.3 7.5 915 551 A 32 LYS H A 32 LYS HEy 1.0 0.3 7.5 916 552 A 52 TRP HZ2 A 60 LYS HEx 1.0 0.2 8.0 917 552 A 60 LYS HEy A 52 TRP HZ2 1.0 0.2 8.0 918 553 A 55 MET H A 60 LYS HEx 1.0 0.3 7.5 919 553 A 60 LYS HEy A 55 MET H 1.0 0.3 7.5 920 554 A 44 PHE HD% A 46 LYS HEx 1.0 2.1 9.9 921 554 A 46 LYS HEy A 44 PHE HD% 1.0 2.1 9.9 922 555 A 81 TYR HE% A 10 LYS HE2 1.0 2.1 9.9 923 555 A 81 TYR HE% A 10 LYS HE3 1.0 2.1 9.9 924 556 A 81 TYR HE% A 11 LYS HEx 1.0 2.1 9.9 925 556 A 81 TYR HE% A 11 LYS HEy 1.0 2.1 9.9 926 557 A 35 PRO HA A 31 LYS HEx 1.0 0.3 7.5 927 557 A 35 PRO HA A 31 LYS HEy 1.0 0.3 7.5 928 558 A 55 MET HA A 60 LYS HEx 1.0 0.3 7.5 929 558 A 60 LYS HEy A 55 MET HA 1.0 0.3 7.5 930 559 A 60 LYS HA A 60 LYS HEx 1.0 0.3 7.5 931 559 A 60 LYS HEy A 60 LYS HA 1.0 0.3 7.5 932 560 A 55 MET HA A 60 LYS HEx 1.0 0.3 7.5 933 560 A 60 LYS HEy A 55 MET HA 1.0 0.3 7.5 934 561 A 47 LYS HA A 47 LYS HEx 1.0 0.3 5.8 935 561 A 47 LYS HEy A 47 LYS HA 1.0 0.3 5.8 936 562 A 32 LYS HA A 32 LYS HEx 1.0 0.3 5.8 937 562 A 32 LYS HEy A 32 LYS HA 1.0 0.3 5.8 938 563 A 74 TYR HA A 73 ARG HDy 1.0 0.3 7.5 939 563 A 73 ARG HDx A 74 TYR HA 1.0 0.3 7.5 940 564 A 53 LYS HA A 60 LYS HEx 1.0 0.3 7.5 941 564 A 53 LYS HA A 60 LYS HEy 1.0 0.3 7.5 942 565 A 15 LYS HEx A 70 ASP HB2 1.0 0.7 8.5 943 565 A 15 LYS HEy A 70 ASP HB2 1.0 0.7 8.5 944 565 A 70 ASP HB3 A 15 LYS HEy 1.0 0.7 8.5 945 565 A 70 ASP HB3 A 15 LYS HEx 1.0 0.7 8.5 946 566 A 55 MET HG3 A 60 LYS HEx 1.0 1.2 9.0 947 566 A 60 LYS HEy A 55 MET HG2 1.0 1.2 9.0 948 566 A 60 LYS HEy A 55 MET HG3 1.0 1.2 9.0 949 566 A 55 MET HG2 A 60 LYS HEx 1.0 1.2 9.0 950 567 A 32 LYS HBx A 32 LYS HEx 1.0 0.7 6.8 951 567 A 32 LYS HBy A 32 LYS HEx 1.0 0.7 6.8 952 567 A 32 LYS HEy A 32 LYS HBx 1.0 0.7 6.8 953 567 A 32 LYS HBy A 32 LYS HEy 1.0 0.7 6.8 954 568 A 10 LYS HD2 A 10 LYS HE2 1.0 1.2 6.4 955 568 A 10 LYS HD3 A 10 LYS HE2 1.0 1.2 6.4 956 568 A 10 LYS HE3 A 10 LYS HD2 1.0 1.2 6.4 957 568 A 10 LYS HE3 A 10 LYS HD3 1.0 1.2 6.4 958 569 A 10 LYS HE2 A 10 LYS HGx 1.0 1.2 7.3 959 569 A 10 LYS HE3 A 10 LYS HGx 1.0 1.2 7.3 960 569 A 10 LYS HGy A 10 LYS HE2 1.0 1.2 7.3 961 569 A 10 LYS HE3 A 10 LYS HGy 1.0 1.2 7.3 962 570 A 58 LYS HEx A 58 LYS HG2 1.0 1.2 7.3 963 570 A 58 LYS HEy A 58 LYS HG2 1.0 1.2 7.3 964 570 A 58 LYS HG3 A 58 LYS HEx 1.0 1.2 7.3 965 570 A 58 LYS HG3 A 58 LYS HEy 1.0 1.2 7.3 966 571 A 33 LYS HE2 A 33 LYS HGx 1.0 1.2 7.3 967 571 A 33 LYS HE3 A 33 LYS HGx 1.0 1.2 7.3 968 571 A 33 LYS HGy A 33 LYS HE2 1.0 1.2 7.3 969 571 A 33 LYS HE3 A 33 LYS HGy 1.0 1.2 7.3 970 572 A 60 LYS H A 60 LYS HEx 1.0 0.3 7.5 971 572 A 60 LYS HEy A 60 LYS H 1.0 0.3 7.5 972 573 A 52 TRP HZ2 A 60 LYS HEx 1.0 0.2 8.0 973 573 A 60 LYS HEy A 52 TRP HZ2 1.0 0.2 8.0 974 574 A 52 TRP HH2 A 60 LYS HEx 1.0 0.2 8.0 975 574 A 60 LYS HEy A 52 TRP HH2 1.0 0.2 8.0 976 575 A 53 LYS HA A 60 LYS HEx 1.0 0.3 7.5 977 575 A 53 LYS HA A 60 LYS HEy 1.0 0.3 7.5 978 576 A 55 MET HG2 A 60 LYS HEx 1.0 1.2 9.0 979 576 A 55 MET HG3 A 60 LYS HEx 1.0 1.2 9.0 980 576 A 60 LYS HEy A 55 MET HG2 1.0 1.2 9.0 981 576 A 60 LYS HEy A 55 MET HG3 1.0 1.2 9.0 982 577 A 55 MET HBx A 60 LYS HEx 1.0 0.7 6.8 983 577 A 55 MET HBy A 60 LYS HEx 1.0 0.7 6.8 984 577 A 60 LYS HEy A 55 MET HBx 1.0 0.7 6.8 985 577 A 60 LYS HEy A 55 MET HBy 1.0 0.7 6.8 986 578 A 55 MET HBx A 60 LYS HEx 1.0 0.7 6.8 987 578 A 55 MET HBy A 60 LYS HEx 1.0 0.7 6.8 988 578 A 60 LYS HEy A 55 MET HBx 1.0 0.7 6.8 989 578 A 60 LYS HEy A 55 MET HBy 1.0 0.7 6.8 990 579 A 60 LYS HEy A 60 LYS HGy 1.0 1.2 7.3 991 579 A 60 LYS HEx A 60 LYS HGy 1.0 1.2 7.3 992 579 A 60 LYS HGx A 60 LYS HEx 1.0 1.2 7.3 993 579 A 60 LYS HEy A 60 LYS HGx 1.0 1.2 7.3 994 580 A 60 LYS HEy A 60 LYS HGy 1.0 1.2 7.3 995 580 A 60 LYS HEx A 60 LYS HGy 1.0 1.2 7.3 996 580 A 60 LYS HGx A 60 LYS HEx 1.0 1.2 7.3 997 580 A 60 LYS HEy A 60 LYS HGx 1.0 1.2 7.3 998 581 A 60 LYS HEy A 60 LYS HGy 1.0 1.2 7.3 999 581 A 60 LYS HEx A 60 LYS HGy 1.0 1.2 7.3 1000 581 A 60 LYS HGx A 60 LYS HEx 1.0 1.2 7.3 1001 581 A 60 LYS HEy A 60 LYS HGx 1.0 1.2 7.3 1002 582 A 74 TYR HD% A 15 LYS HEy 1.0 2.1 9.9 1003 582 A 74 TYR HD% A 15 LYS HEx 1.0 2.1 9.9 1004 583 A 74 TYR HD% A 15 LYS HEy 1.0 2.1 9.9 1005 583 A 74 TYR HD% A 15 LYS HEx 1.0 2.1 9.9 1006 584 A 74 TYR HE% A 15 LYS HEy 1.0 2.1 9.9 1007 584 A 15 LYS HEx A 74 TYR HE% 1.0 2.1 9.9 1008 585 A 63 PHE HA A 62 LYS HE2 1.0 0.3 7.5 1009 585 A 63 PHE HA A 62 LYS HE3 1.0 0.3 7.5 1010 586 A 21 PHE HBx A 62 LYS HE2 1.0 0.7 8.5 1011 586 A 62 LYS HE3 A 21 PHE HBx 1.0 0.7 8.5 1012 586 A 21 PHE HBy A 62 LYS HE3 1.0 0.7 8.5 1013 586 A 21 PHE HBy A 62 LYS HE2 1.0 0.7 8.5 1014 587 A 21 PHE HBx A 62 LYS HE2 1.0 0.7 8.5 1015 587 A 62 LYS HE3 A 21 PHE HBx 1.0 0.7 8.5 1016 587 A 21 PHE HBy A 62 LYS HE3 1.0 0.7 8.5 1017 587 A 21 PHE HBy A 62 LYS HE2 1.0 0.7 8.5 1018 588 A 62 LYS HD2 A 62 LYS HE2 1.0 1.2 6.4 1019 588 A 62 LYS HD3 A 62 LYS HE2 1.0 1.2 6.4 1020 588 A 62 LYS HE3 A 62 LYS HD2 1.0 1.2 6.4 1021 588 A 62 LYS HE3 A 62 LYS HD3 1.0 1.2 6.4 1022 589 A 15 LYS HEx A 15 LYS HGy 1.0 1.2 9.0 1023 589 A 15 LYS HEy A 15 LYS HGy 1.0 1.2 9.0 1024 589 A 15 LYS HGx A 15 LYS HEy 1.0 1.2 9.0 1025 589 A 15 LYS HGx A 15 LYS HEx 1.0 1.2 9.0 1026 590 A 15 LYS HEx A 15 LYS HGy 1.0 1.2 9.0 1027 590 A 15 LYS HEy A 15 LYS HGy 1.0 1.2 9.0 1028 590 A 15 LYS HGx A 15 LYS HEy 1.0 1.2 9.0 1029 590 A 15 LYS HGx A 15 LYS HEx 1.0 1.2 9.0 1030 591 A 15 LYS HEx A 15 LYS HGy 1.0 1.2 7.3 1031 591 A 15 LYS HEy A 15 LYS HGy 1.0 1.2 7.3 1032 591 A 15 LYS HGx A 15 LYS HEy 1.0 1.2 7.3 1033 591 A 15 LYS HGx A 15 LYS HEx 1.0 1.2 7.3 1034 592 A 8 ASP HBy A 9 PRO HDx 1.0 0.2 8.0 1035 592 A 8 ASP HBx A 9 PRO HDx 1.0 0.2 8.0 1036 592 A 9 PRO HDy A 8 ASP HBx 1.0 0.2 8.0 1037 592 A 8 ASP HBy A 9 PRO HDy 1.0 0.2 8.0 1038 593 A 8 ASP HBy A 9 PRO HDx 1.0 0.2 8.0 1039 593 A 8 ASP HBx A 9 PRO HDx 1.0 0.2 8.0 1040 593 A 9 PRO HDy A 8 ASP HBx 1.0 0.2 8.0 1041 593 A 8 ASP HBy A 9 PRO HDy 1.0 0.2 8.0 1042 594 A 14 GLY HAy A 15 LYS HEy 1.0 0.7 8.5 1043 594 A 14 GLY HAx A 15 LYS HEy 1.0 0.7 8.5 1044 594 A 15 LYS HEx A 14 GLY HAx 1.0 0.7 8.5 1045 594 A 15 LYS HEx A 14 GLY HAy 1.0 0.7 8.5 1046 595 A 36 ASP H A 36 ASP HBx 1.0 0.8 5.3 1047 595 A 36 ASP H A 36 ASP HBy 1.0 0.8 5.3 1048 596 A 37 ALA HB% A 36 ASP HBx 1.0 0.7 8.5 1049 596 A 36 ASP HBy A 37 ALA HB% 1.0 0.7 8.5 1050 597 A 21 PHE H A 21 PHE HBx 1.0 0.8 5.3 1051 597 A 21 PHE HBy A 21 PHE H 1.0 0.8 5.3 1052 598 A 63 PHE HD% A 21 PHE HBx 1.0 1.6 7.7 1053 598 A 21 PHE HBy A 63 PHE HD% 1.0 1.6 7.7 1054 599 A 19 TYR HE% A 48 CYS HBx 1.0 0.6 8.4 1055 600 A 22 PHE HD% A 48 CYS HBx 1.0 0.6 8.4 1056 601 A 63 PHE HA A 21 PHE HBx 1.0 0.8 7.0 1057 601 A 21 PHE HBy A 63 PHE HA 1.0 0.8 7.0 1058 602 A 16 MET HE% A 21 PHE HBx 1.0 0.7 8.5 1059 602 A 21 PHE HBy A 16 MET HE% 1.0 0.7 8.5 1060 603 A 21 PHE HBy A 66 MET HBx 1.0 0.2 8.0 1061 603 A 21 PHE HBx A 66 MET HBx 1.0 0.2 8.0 1062 603 A 66 MET HBy A 21 PHE HBx 1.0 0.2 8.0 1063 603 A 21 PHE HBy A 66 MET HBy 1.0 0.2 8.0 1064 604 A 48 CYS HBx A 23 VAL HGy% 1.0 0.3 7.5 1065 605 A 48 CYS HBx A 45 SER HA 1.0 1.8 6.0 1066 606 A 66 MET H A 65 ASP HBx 1.0 0.8 7.0 1067 606 A 65 ASP HBy A 66 MET H 1.0 0.8 7.0 1068 607 A 62 LYS HA A 65 ASP HBx 1.0 0.8 5.3 1069 607 A 65 ASP HBy A 62 LYS HA 1.0 0.8 5.3 1070 608 A 62 LYS HA A 65 ASP HBx 1.0 0.8 5.3 1071 608 A 65 ASP HBy A 62 LYS HA 1.0 0.8 5.3 1072 609 A 65 ASP HBy A 68 LYS HB2 1.0 0.2 8.0 1073 609 A 65 ASP HBx A 68 LYS HB2 1.0 0.2 8.0 1074 609 A 68 LYS HB3 A 65 ASP HBx 1.0 0.2 8.0 1075 609 A 65 ASP HBy A 68 LYS HB3 1.0 0.2 8.0 1076 610 A 65 ASP HBy A 68 LYS HD2 1.0 0.7 8.5 1077 610 A 65 ASP HBx A 68 LYS HD2 1.0 0.7 8.5 1078 610 A 68 LYS HD3 A 65 ASP HBx 1.0 0.7 8.5 1079 610 A 65 ASP HBy A 68 LYS HD3 1.0 0.7 8.5 1080 611 A 65 ASP HBx A 66 MET HBx 1.0 0.2 8.0 1081 611 A 65 ASP HBy A 66 MET HBx 1.0 0.2 8.0 1082 611 A 66 MET HBy A 65 ASP HBx 1.0 0.2 8.0 1083 611 A 65 ASP HBy A 66 MET HBy 1.0 0.2 8.0 1084 612 A 65 ASP HBy A 68 LYS HGx 1.0 0.7 8.5 1085 612 A 68 LYS HGy A 65 ASP HBx 1.0 0.7 8.5 1086 612 A 65 ASP HBy A 68 LYS HGy 1.0 0.7 8.5 1087 612 A 65 ASP HBx A 68 LYS HGx 1.0 0.7 8.5 1088 613 A 41 PHE H A 41 PHE HBx 1.0 0.8 5.3 1089 613 A 41 PHE H A 41 PHE HBy 1.0 0.8 5.3 1090 614 A 74 TYR H A 74 TYR HBx 1.0 0.8 7.0 1091 614 A 74 TYR H A 74 TYR HBy 1.0 0.8 7.0 1092 615 A 82 ILE H A 81 TYR HBx 1.0 0.8 7.0 1093 615 A 81 TYR HBy A 82 ILE H 1.0 0.8 7.0 1094 616 A 15 LYS H A 74 TYR HBx 1.0 0.8 7.0 1095 616 A 15 LYS H A 74 TYR HBy 1.0 0.8 7.0 1096 617 A 78 MET HA A 81 TYR HBx 1.0 0.8 5.3 1097 617 A 81 TYR HBy A 78 MET HA 1.0 0.8 5.3 1098 618 A 11 LYS HA A 81 TYR HBx 1.0 0.8 7.0 1099 618 A 81 TYR HBy A 11 LYS HA 1.0 0.8 7.0 1100 619 A 82 ILE HB A 83 PRO HDx 1.0 0.8 7.0 1101 619 A 83 PRO HDy A 82 ILE HB 1.0 0.8 7.0 1102 620 A 74 TYR HBy A 77 GLU HBx 1.0 0.2 8.0 1103 620 A 74 TYR HBx A 77 GLU HBx 1.0 0.2 8.0 1104 620 A 77 GLU HBy A 74 TYR HBx 1.0 0.2 8.0 1105 620 A 77 GLU HBy A 74 TYR HBy 1.0 0.2 8.0 1106 621 A 74 TYR HBy A 77 GLU HBx 1.0 0.2 8.0 1107 621 A 74 TYR HBx A 77 GLU HBx 1.0 0.2 8.0 1108 621 A 77 GLU HBy A 74 TYR HBx 1.0 0.2 8.0 1109 621 A 77 GLU HBy A 74 TYR HBy 1.0 0.2 8.0 1110 622 A 78 MET HE% A 81 TYR HBx 1.0 0.7 8.5 1111 622 A 81 TYR HBy A 78 MET HE% 1.0 0.7 8.5 1112 623 A 12 PRO HBx A 74 TYR HBx 1.0 0.2 8.0 1113 623 A 12 PRO HBy A 74 TYR HBx 1.0 0.2 8.0 1114 623 A 74 TYR HBy A 12 PRO HBy 1.0 0.2 8.0 1115 623 A 12 PRO HBx A 74 TYR HBy 1.0 0.2 8.0 1116 624 A 15 LYS HB3 A 74 TYR HBx 1.0 0.2 8.0 1117 624 A 15 LYS HB2 A 74 TYR HBx 1.0 0.2 8.0 1118 624 A 74 TYR HBy A 15 LYS HB2 1.0 0.2 8.0 1119 624 A 15 LYS HB3 A 74 TYR HBy 1.0 0.2 8.0 1120 625 A 15 LYS HGy A 74 TYR HBx 1.0 0.7 8.5 1121 625 A 15 LYS HGx A 74 TYR HBx 1.0 0.7 8.5 1122 625 A 74 TYR HBy A 15 LYS HGy 1.0 0.7 8.5 1123 625 A 15 LYS HGx A 74 TYR HBy 1.0 0.7 8.5 1124 626 A 80 THR HG2% A 81 TYR HBx 1.0 0.7 8.5 1125 626 A 81 TYR HBy A 80 THR HG2% 1.0 0.7 8.5 1126 627 A 15 LYS HGy A 74 TYR HBx 1.0 0.7 8.5 1127 627 A 15 LYS HGx A 74 TYR HBx 1.0 0.7 8.5 1128 627 A 74 TYR HBy A 15 LYS HGy 1.0 0.7 8.5 1129 627 A 15 LYS HGx A 74 TYR HBy 1.0 0.7 8.5 1130 628 A 64 GLU H A 63 PHE HBy 1.0 0.8 7.0 1131 628 A 64 GLU H A 63 PHE HBx 1.0 0.8 7.0 1132 629 A 78 MET H A 81 TYR HBx 1.0 0.8 7.0 1133 629 A 78 MET H A 81 TYR HBy 1.0 0.8 7.0 1134 630 A 22 PHE H A 63 PHE HBy 1.0 0.8 7.0 1135 630 A 22 PHE H A 63 PHE HBx 1.0 0.8 7.0 1136 631 A 82 ILE H A 82 ILE HB 1.0 1.8 4.3 1137 632 A 52 TRP HH2 A 63 PHE HBy 1.0 0.3 7.5 1138 632 A 52 TRP HH2 A 63 PHE HBx 1.0 0.3 7.5 1139 633 A 52 TRP HZ3 A 63 PHE HBy 1.0 0.3 7.5 1140 633 A 52 TRP HZ3 A 63 PHE HBx 1.0 0.3 7.5 1141 634 A 66 MET HA A 65 ASP HBx 1.0 0.8 7.0 1142 634 A 65 ASP HBy A 66 MET HA 1.0 0.8 7.0 1143 635 A 11 LYS HA A 81 TYR HBx 1.0 0.8 7.0 1144 635 A 81 TYR HBy A 11 LYS HA 1.0 0.8 7.0 1145 636 A 63 PHE HBy A 64 GLU HGx 1.0 0.7 8.5 1146 636 A 63 PHE HBx A 64 GLU HGx 1.0 0.7 8.5 1147 636 A 64 GLU HGy A 63 PHE HBy 1.0 0.7 8.5 1148 636 A 64 GLU HGy A 63 PHE HBx 1.0 0.7 8.5 1149 637 A 63 PHE HBx A 64 GLU HGx 1.0 0.7 8.5 1150 637 A 63 PHE HBy A 64 GLU HGx 1.0 0.7 8.5 1151 637 A 64 GLU HGy A 63 PHE HBy 1.0 0.7 8.5 1152 637 A 64 GLU HGy A 63 PHE HBx 1.0 0.7 8.5 1153 638 A 40 ASN HBx A 43 GLU HGy 1.0 0.7 8.5 1154 638 A 40 ASN HBy A 43 GLU HGy 1.0 0.7 8.5 1155 638 A 43 GLU HGx A 40 ASN HBx 1.0 0.7 8.5 1156 638 A 40 ASN HBy A 43 GLU HGx 1.0 0.7 8.5 1157 639 A 39 VAL HB A 44 PHE HBx 1.0 0.8 7.0 1158 639 A 44 PHE HBy A 39 VAL HB 1.0 0.8 7.0 1159 640 A 55 MET HE% A 63 PHE HBy 1.0 0.7 8.5 1160 640 A 63 PHE HBx A 55 MET HE% 1.0 0.7 8.5 1161 641 A 66 MET HE% A 63 PHE HBy 1.0 0.7 8.5 1162 641 A 66 MET HE% A 63 PHE HBx 1.0 0.7 8.5 1163 642 A 27 ARG HGx A 44 PHE HBx 1.0 0.7 8.5 1164 642 A 27 ARG HGy A 44 PHE HBx 1.0 0.7 8.5 1165 642 A 44 PHE HBy A 27 ARG HGy 1.0 0.7 8.5 1166 642 A 44 PHE HBy A 27 ARG HGx 1.0 0.7 8.5 1167 643 A 23 VAL H A 22 PHE HBy 1.0 0.8 7.0 1168 643 A 22 PHE HBx A 23 VAL H 1.0 0.8 7.0 1169 644 A 40 ASN H A 40 ASN HBx 1.0 0.8 7.0 1170 644 A 40 ASN HBy A 40 ASN H 1.0 0.8 7.0 1171 645 A 40 ASN HBx A 40 ASN HD2x 1.0 0.7 8.5 1172 645 A 40 ASN HBy A 40 ASN HD2x 1.0 0.7 8.5 1173 645 A 40 ASN HD2y A 40 ASN HBx 1.0 0.7 8.5 1174 645 A 40 ASN HBy A 40 ASN HD2y 1.0 0.7 8.5 1175 646 A 63 PHE HD% A 22 PHE HBy 1.0 1.6 9.4 1176 646 A 63 PHE HD% A 22 PHE HBx 1.0 1.6 9.4 1177 647 A 21 PHE HD% A 63 PHE HBy 1.0 1.6 9.4 1178 647 A 63 PHE HBx A 21 PHE HD% 1.0 1.6 9.4 1179 648 A 52 TRP HZ3 A 22 PHE HBy 1.0 0.3 7.5 1180 648 A 52 TRP HZ3 A 22 PHE HBx 1.0 0.3 7.5 1181 649 A 39 VAL HA A 40 ASN HBx 1.0 0.8 7.0 1182 649 A 40 ASN HBy A 39 VAL HA 1.0 0.8 7.0 1183 650 A 43 GLU HA A 40 ASN HBx 1.0 0.8 7.0 1184 650 A 40 ASN HBy A 43 GLU HA 1.0 0.8 7.0 1185 651 A 40 ASN HBy A 42 SER HB2 1.0 0.2 8.0 1186 651 A 40 ASN HBx A 42 SER HB2 1.0 0.2 8.0 1187 651 A 42 SER HB3 A 40 ASN HBx 1.0 0.2 8.0 1188 651 A 40 ASN HBy A 42 SER HB3 1.0 0.2 8.0 1189 652 A 19 TYR HA A 22 PHE HBy 1.0 0.8 7.0 1190 652 A 19 TYR HA A 22 PHE HBx 1.0 0.8 7.0 1191 653 A 63 PHE HBx A 64 GLU HBx 1.0 0.2 8.0 1192 653 A 64 GLU HBy A 63 PHE HBy 1.0 0.2 8.0 1193 653 A 64 GLU HBy A 63 PHE HBx 1.0 0.2 8.0 1194 653 A 63 PHE HBy A 64 GLU HBx 1.0 0.2 8.0 1195 654 A 39 VAL HB A 44 PHE HBx 1.0 0.8 7.0 1196 654 A 44 PHE HBy A 39 VAL HB 1.0 0.8 7.0 1197 655 A 55 MET HE% A 22 PHE HBy 1.0 0.7 8.5 1198 655 A 22 PHE HBx A 55 MET HE% 1.0 0.7 8.5 1199 656 A 67 ALA HB% A 63 PHE HBy 1.0 0.7 8.5 1200 656 A 67 ALA HB% A 63 PHE HBx 1.0 0.7 8.5 1201 657 A 63 PHE HBx A 66 MET HBx 1.0 0.2 8.0 1202 657 A 63 PHE HBy A 66 MET HBx 1.0 0.2 8.0 1203 657 A 66 MET HBy A 63 PHE HBy 1.0 0.2 8.0 1204 657 A 63 PHE HBx A 66 MET HBy 1.0 0.2 8.0 1205 658 A 39 VAL HGy% A 40 ASN HBx 1.0 0.7 8.5 1206 658 A 40 ASN HBy A 39 VAL HGy% 1.0 0.7 8.5 1207 659 A 20 ALA HB% A 19 TYR HBx 1.0 0.7 8.5 1208 659 A 19 TYR HBy A 20 ALA HB% 1.0 0.7 8.5 1209 660 A 17 SER HBy A 19 TYR HBx 1.0 0.2 8.0 1210 660 A 17 SER HBx A 19 TYR HBx 1.0 0.2 8.0 1211 660 A 19 TYR HBy A 17 SER HBy 1.0 0.2 8.0 1212 660 A 19 TYR HBy A 17 SER HBx 1.0 0.2 8.0 1213 661 A 18 SER HBy A 19 TYR HBx 1.0 0.2 8.0 1214 661 A 18 SER HBx A 19 TYR HBx 1.0 0.2 8.0 1215 661 A 19 TYR HBy A 18 SER HBx 1.0 0.2 8.0 1216 661 A 19 TYR HBy A 18 SER HBy 1.0 0.2 8.0 1217 662 A 56 SER H A 59 GLU HG2 1.0 0.3 7.5 1218 662 A 56 SER H A 59 GLU HG3 1.0 0.3 7.5 1219 663 A 77 GLU H A 77 GLU HGx 1.0 0.3 5.8 1220 663 A 77 GLU H A 77 GLU HGy 1.0 0.3 5.8 1221 664 A 77 GLU H A 77 GLU HGx 1.0 0.3 5.8 1222 664 A 77 GLU H A 77 GLU HGy 1.0 0.3 5.8 1223 665 A 60 LYS H A 59 GLU HG2 1.0 0.3 7.5 1224 665 A 60 LYS H A 59 GLU HG3 1.0 0.3 7.5 1225 666 A 76 ARG H A 77 GLU HGx 1.0 0.3 7.5 1226 666 A 76 ARG H A 77 GLU HGy 1.0 0.3 7.5 1227 667 A 59 GLU H A 59 GLU HG2 1.0 0.3 5.8 1228 667 A 59 GLU H A 59 GLU HG3 1.0 0.3 5.8 1229 668 A 73 ARG HE A 77 GLU HGx 1.0 0.3 7.5 1230 668 A 73 ARG HE A 77 GLU HGy 1.0 0.3 7.5 1231 669 A 77 GLU HA A 77 GLU HGx 1.0 0.3 5.8 1232 669 A 77 GLU HA A 77 GLU HGy 1.0 0.3 5.8 1233 670 A 77 GLU HA A 77 GLU HGx 1.0 0.3 7.5 1234 670 A 77 GLU HA A 77 GLU HGy 1.0 0.3 7.5 1235 671 A 73 ARG HDx A 77 GLU HGx 1.0 1.2 9.0 1236 671 A 73 ARG HDy A 77 GLU HGx 1.0 1.2 9.0 1237 671 A 77 GLU HGy A 73 ARG HDy 1.0 1.2 9.0 1238 671 A 73 ARG HDx A 77 GLU HGy 1.0 1.2 9.0 1239 672 A 73 ARG HDx A 77 GLU HGx 1.0 1.2 9.0 1240 672 A 73 ARG HDy A 77 GLU HGx 1.0 1.2 9.0 1241 672 A 77 GLU HGy A 73 ARG HDy 1.0 1.2 9.0 1242 672 A 73 ARG HDx A 77 GLU HGy 1.0 1.2 9.0 1243 673 A 59 GLU HBx A 59 GLU HG2 1.0 0.7 5.9 1244 673 A 59 GLU HBy A 59 GLU HG2 1.0 0.7 5.9 1245 673 A 59 GLU HG3 A 59 GLU HBx 1.0 0.7 5.9 1246 673 A 59 GLU HBy A 59 GLU HG3 1.0 0.7 5.9 1247 674 A 59 GLU HBx A 59 GLU HG2 1.0 0.7 6.8 1248 674 A 59 GLU HBy A 59 GLU HG2 1.0 0.7 6.8 1249 674 A 59 GLU HG3 A 59 GLU HBx 1.0 0.7 6.8 1250 674 A 59 GLU HBy A 59 GLU HG3 1.0 0.7 6.8 1251 675 A 58 LYS HBx A 59 GLU HG2 1.0 0.7 6.8 1252 675 A 58 LYS HBy A 59 GLU HG2 1.0 0.7 6.8 1253 675 A 59 GLU HG3 A 58 LYS HBx 1.0 0.7 6.8 1254 675 A 59 GLU HG3 A 58 LYS HBy 1.0 0.7 6.8 1255 676 A 76 ARG HGx A 77 GLU HGx 1.0 1.2 9.0 1256 676 A 76 ARG HGy A 77 GLU HGx 1.0 1.2 9.0 1257 676 A 77 GLU HGy A 76 ARG HGx 1.0 1.2 9.0 1258 676 A 76 ARG HGy A 77 GLU HGy 1.0 1.2 9.0 1259 677 A 75 GLU H A 75 GLU HGx 1.0 0.3 5.8 1260 677 A 75 GLU H A 75 GLU HGy 1.0 0.3 5.8 1261 678 A 75 GLU H A 75 GLU HGx 1.0 0.3 5.8 1262 678 A 75 GLU H A 75 GLU HGy 1.0 0.3 5.8 1263 679 A 76 ARG H A 75 GLU HGx 1.0 0.3 7.5 1264 679 A 76 ARG H A 75 GLU HGy 1.0 0.3 7.5 1265 680 A 74 TYR HD% A 75 GLU HGx 1.0 2.1 9.9 1266 680 A 74 TYR HD% A 75 GLU HGy 1.0 2.1 9.9 1267 681 A 71 LYS HA A 75 GLU HGx 1.0 0.3 7.5 1268 681 A 71 LYS HA A 75 GLU HGy 1.0 0.3 7.5 1269 682 A 75 GLU HA A 75 GLU HGx 1.0 0.3 5.8 1270 682 A 75 GLU HA A 75 GLU HGy 1.0 0.3 5.8 1271 683 A 29 GLU H A 29 GLU HG2 1.0 0.3 5.8 1272 683 A 29 GLU H A 29 GLU HG3 1.0 0.3 5.8 1273 684 A 29 GLU HA A 29 GLU HG2 1.0 0.3 5.8 1274 684 A 29 GLU HG3 A 29 GLU HA 1.0 0.3 5.8 1275 685 A 25 THR HG2% A 29 GLU HG2 1.0 1.2 9.0 1276 685 A 29 GLU HG3 A 25 THR HG2% 1.0 1.2 9.0 1277 686 A 50 GLU H A 50 GLU HGx 1.0 0.3 5.8 1278 686 A 50 GLU H A 50 GLU HGy 1.0 0.3 5.8 1279 687 A 43 GLU H A 43 GLU HGy 1.0 0.3 7.5 1280 687 A 43 GLU H A 43 GLU HGx 1.0 0.3 7.5 1281 688 A 28 GLU H A 28 GLU HGx 1.0 0.3 5.8 1282 688 A 28 GLU H A 28 GLU HGy 1.0 0.3 5.8 1283 689 A 44 PHE HE% A 43 GLU HGy 1.0 2.1 9.9 1284 689 A 44 PHE HE% A 43 GLU HGx 1.0 2.1 9.9 1285 690 A 44 PHE HD% A 43 GLU HGy 1.0 2.1 9.9 1286 690 A 44 PHE HD% A 43 GLU HGx 1.0 2.1 9.9 1287 691 A 51 ARG HA A 54 THR HB 1.0 1.8 6.0 1288 692 A 55 MET HA A 54 THR HB 1.0 1.8 6.0 1289 693 A 43 GLU HA A 43 GLU HGy 1.0 0.3 7.5 1290 693 A 43 GLU HGx A 43 GLU HA 1.0 0.3 7.5 1291 694 A 42 SER HB3 A 43 GLU HGy 1.0 0.7 8.5 1292 694 A 42 SER HB2 A 43 GLU HGy 1.0 0.7 8.5 1293 694 A 43 GLU HGx A 42 SER HB2 1.0 0.7 8.5 1294 694 A 42 SER HB3 A 43 GLU HGx 1.0 0.7 8.5 1295 695 A 43 GLU HGx A 44 PHE HBx 1.0 0.7 8.5 1296 695 A 43 GLU HGy A 44 PHE HBx 1.0 0.7 8.5 1297 695 A 44 PHE HBy A 43 GLU HGy 1.0 0.7 8.5 1298 695 A 44 PHE HBy A 43 GLU HGx 1.0 0.7 8.5 1299 696 A 47 LYS HEy A 50 GLU HGx 1.0 1.2 9.0 1300 696 A 47 LYS HEx A 50 GLU HGx 1.0 1.2 9.0 1301 696 A 50 GLU HGy A 47 LYS HEx 1.0 1.2 9.0 1302 696 A 50 GLU HGy A 47 LYS HEy 1.0 1.2 9.0 1303 697 A 43 GLU HGx A 44 PHE HBx 1.0 0.7 8.5 1304 697 A 43 GLU HGy A 44 PHE HBx 1.0 0.7 8.5 1305 697 A 44 PHE HBy A 43 GLU HGy 1.0 0.7 8.5 1306 697 A 44 PHE HBy A 43 GLU HGx 1.0 0.7 8.5 1307 698 A 28 GLU HBy A 28 GLU HGx 1.0 0.7 5.9 1308 698 A 28 GLU HBx A 28 GLU HGx 1.0 0.7 5.9 1309 698 A 28 GLU HGy A 28 GLU HBy 1.0 0.7 5.9 1310 698 A 28 GLU HBx A 28 GLU HGy 1.0 0.7 5.9 1311 699 A 47 LYS HD2 A 50 GLU HGx 1.0 1.2 9.0 1312 699 A 47 LYS HD3 A 50 GLU HGx 1.0 1.2 9.0 1313 699 A 50 GLU HGy A 47 LYS HD2 1.0 1.2 9.0 1314 699 A 50 GLU HGy A 47 LYS HD3 1.0 1.2 9.0 1315 700 A 25 THR HG2% A 28 GLU HGx 1.0 1.2 9.0 1316 700 A 28 GLU HGy A 25 THR HG2% 1.0 1.2 9.0 1317 701 A 65 ASP H A 64 GLU HGx 1.0 0.3 7.5 1318 701 A 64 GLU HGy A 65 ASP H 1.0 0.3 7.5 1319 702 A 65 ASP H A 64 GLU HGx 1.0 0.3 7.5 1320 702 A 64 GLU HGy A 65 ASP H 1.0 0.3 7.5 1321 703 A 29 GLU H A 28 GLU HGx 1.0 0.3 7.5 1322 703 A 29 GLU H A 28 GLU HGy 1.0 0.3 7.5 1323 704 A 43 GLU H A 43 GLU HGy 1.0 0.3 7.5 1324 704 A 43 GLU H A 43 GLU HGx 1.0 0.3 7.5 1325 705 A 19 TYR H A 64 GLU HGx 1.0 0.3 7.5 1326 705 A 64 GLU HGy A 19 TYR H 1.0 0.3 7.5 1327 706 A 32 LYS H A 28 GLU HGx 1.0 0.3 7.5 1328 706 A 28 GLU HGy A 32 LYS H 1.0 0.3 7.5 1329 707 A 52 TRP HZ2 A 64 GLU HGx 1.0 0.2 8.0 1330 707 A 64 GLU HGy A 52 TRP HZ2 1.0 0.2 8.0 1331 708 A 54 THR H A 54 THR HB 1.0 1.8 6.0 1332 709 A 63 PHE H A 64 GLU HGx 1.0 0.3 7.5 1333 709 A 64 GLU HGy A 63 PHE H 1.0 0.3 7.5 1334 710 A 55 MET H A 54 THR HB 1.0 1.8 6.0 1335 711 A 40 ASN HD2y A 43 GLU HGy 1.0 1.2 9.0 1336 711 A 40 ASN HD2x A 43 GLU HGy 1.0 1.2 9.0 1337 711 A 43 GLU HGx A 40 ASN HD2x 1.0 1.2 9.0 1338 711 A 40 ASN HD2y A 43 GLU HGx 1.0 1.2 9.0 1339 712 A 18 SER HBx A 64 GLU HGx 1.0 0.7 6.8 1340 712 A 64 GLU HGy A 18 SER HBx 1.0 0.7 6.8 1341 712 A 64 GLU HGy A 18 SER HBy 1.0 0.7 6.8 1342 712 A 18 SER HBy A 64 GLU HGx 1.0 0.7 6.8 1343 713 A 61 GLY HAy A 64 GLU HGx 1.0 0.7 8.5 1344 713 A 64 GLU HGy A 61 GLY HAx 1.0 0.7 8.5 1345 713 A 61 GLY HAy A 64 GLU HGy 1.0 0.7 8.5 1346 713 A 61 GLY HAx A 64 GLU HGx 1.0 0.7 8.5 1347 714 A 63 PHE HBx A 64 GLU HGx 1.0 0.7 8.5 1348 714 A 63 PHE HBy A 64 GLU HGx 1.0 0.7 8.5 1349 714 A 64 GLU HGy A 63 PHE HBy 1.0 0.7 8.5 1350 714 A 64 GLU HGy A 63 PHE HBx 1.0 0.7 8.5 1351 715 A 40 ASN HBx A 43 GLU HGy 1.0 0.7 8.5 1352 715 A 40 ASN HBy A 43 GLU HGy 1.0 0.7 8.5 1353 715 A 43 GLU HGx A 40 ASN HBx 1.0 0.7 8.5 1354 715 A 40 ASN HBy A 43 GLU HGx 1.0 0.7 8.5 1355 716 A 43 GLU HGx A 44 PHE HBx 1.0 0.7 8.5 1356 716 A 43 GLU HGy A 44 PHE HBx 1.0 0.7 8.5 1357 716 A 44 PHE HBy A 43 GLU HGy 1.0 0.7 8.5 1358 716 A 44 PHE HBy A 43 GLU HGx 1.0 0.7 8.5 1359 717 A 60 LYS HBx A 64 GLU HGx 1.0 0.7 8.5 1360 717 A 60 LYS HBy A 64 GLU HGx 1.0 0.7 8.5 1361 717 A 64 GLU HGy A 60 LYS HBx 1.0 0.7 8.5 1362 717 A 64 GLU HGy A 60 LYS HBy 1.0 0.7 8.5 1363 718 A 52 TRP HZ2 A 64 GLU HGx 1.0 0.2 8.0 1364 718 A 64 GLU HGy A 52 TRP HZ2 1.0 0.2 8.0 1365 719 A 80 THR HB A 79 LYS HB2 1.0 0.8 7.0 1366 719 A 80 THR HB A 79 LYS HB3 1.0 0.8 7.0 1367 720 A 25 THR HB A 63 PHE HE% 1.0 0.6 6.7 1368 721 A 25 THR H A 25 THR HB 1.0 1.8 4.3 1369 722 A 24 GLN H A 25 THR HB 1.0 1.8 6.0 1370 723 A 22 PHE HD% A 25 THR HB 1.0 0.6 8.4 1371 724 A 25 THR HB A 24 GLN HGx 1.0 0.3 7.5 1372 724 A 24 GLN HGy A 25 THR HB 1.0 0.3 7.5 1373 725 A 66 MET HE% A 25 THR HB 1.0 0.3 7.5 1374 726 A 60 LYS HGx A 64 GLU HGx 1.0 1.2 9.0 1375 726 A 60 LYS HGy A 64 GLU HGx 1.0 1.2 9.0 1376 726 A 64 GLU HGy A 60 LYS HGy 1.0 1.2 9.0 1377 726 A 64 GLU HGy A 60 LYS HGx 1.0 1.2 9.0 1378 727 A 16 MET H A 16 MET HBx 1.0 0.8 5.3 1379 727 A 16 MET H A 16 MET HBy 1.0 0.8 5.3 1380 728 A 16 MET H A 16 MET HBx 1.0 0.8 5.3 1381 728 A 16 MET H A 16 MET HBy 1.0 0.8 5.3 1382 729 A 56 SER H A 55 MET HBx 1.0 0.8 7.0 1383 729 A 56 SER H A 55 MET HBy 1.0 0.8 7.0 1384 730 A 60 LYS H A 55 MET HBx 1.0 0.8 7.0 1385 730 A 60 LYS H A 55 MET HBy 1.0 0.8 7.0 1386 731 A 60 LYS H A 55 MET HBx 1.0 0.8 7.0 1387 731 A 60 LYS H A 55 MET HBy 1.0 0.8 7.0 1388 732 A 17 SER H A 16 MET HBx 1.0 0.8 7.0 1389 732 A 17 SER H A 16 MET HBy 1.0 0.8 7.0 1390 733 A 17 SER H A 16 MET HBx 1.0 0.8 7.0 1391 733 A 17 SER H A 16 MET HBy 1.0 0.8 7.0 1392 734 A 53 LYS H A 55 MET HBx 1.0 0.8 7.0 1393 734 A 53 LYS H A 55 MET HBy 1.0 0.8 7.0 1394 735 A 22 PHE HE% A 55 MET HBx 1.0 1.6 9.4 1395 735 A 55 MET HBy A 22 PHE HE% 1.0 1.6 9.4 1396 736 A 54 THR H A 55 MET HBx 1.0 0.8 7.0 1397 736 A 54 THR H A 55 MET HBy 1.0 0.8 7.0 1398 737 A 21 PHE HD% A 16 MET HBx 1.0 1.6 9.4 1399 737 A 21 PHE HD% A 16 MET HBy 1.0 1.6 9.4 1400 738 A 21 PHE HE% A 16 MET HBx 1.0 1.6 7.7 1401 738 A 21 PHE HE% A 16 MET HBy 1.0 1.6 7.7 1402 739 A 55 MET H A 55 MET HBx 1.0 0.8 5.3 1403 739 A 55 MET H A 55 MET HBy 1.0 0.8 5.3 1404 740 A 21 PHE HZ A 16 MET HBx 1.0 0.3 7.5 1405 740 A 21 PHE HZ A 16 MET HBy 1.0 0.3 7.5 1406 741 A 16 MET HBx A 17 SER HBy 1.0 0.2 8.0 1407 741 A 16 MET HBy A 17 SER HBy 1.0 0.2 8.0 1408 741 A 17 SER HBx A 16 MET HBx 1.0 0.2 8.0 1409 741 A 17 SER HBx A 16 MET HBy 1.0 0.2 8.0 1410 742 A 15 LYS HA A 16 MET HBx 1.0 0.8 7.0 1411 742 A 16 MET HBy A 15 LYS HA 1.0 0.8 7.0 1412 743 A 16 MET HBy A 70 ASP HB2 1.0 0.2 8.0 1413 743 A 16 MET HBx A 70 ASP HB2 1.0 0.2 8.0 1414 743 A 70 ASP HB3 A 16 MET HBx 1.0 0.2 8.0 1415 743 A 70 ASP HB3 A 16 MET HBy 1.0 0.2 8.0 1416 744 A 16 MET HBy A 70 ASP HB2 1.0 0.2 8.0 1417 744 A 16 MET HBx A 70 ASP HB2 1.0 0.2 8.0 1418 744 A 70 ASP HB3 A 16 MET HBx 1.0 0.2 8.0 1419 744 A 70 ASP HB3 A 16 MET HBy 1.0 0.2 8.0 1420 745 A 55 MET HBy A 59 GLU HBx 1.0 0.2 8.0 1421 745 A 55 MET HBx A 59 GLU HBx 1.0 0.2 8.0 1422 745 A 59 GLU HBy A 55 MET HBx 1.0 0.2 8.0 1423 745 A 59 GLU HBy A 55 MET HBy 1.0 0.2 8.0 1424 746 A 55 MET HBy A 59 GLU HBx 1.0 0.2 8.0 1425 746 A 55 MET HBx A 59 GLU HBx 1.0 0.2 8.0 1426 746 A 59 GLU HBy A 55 MET HBx 1.0 0.2 8.0 1427 746 A 59 GLU HBy A 55 MET HBy 1.0 0.2 8.0 1428 747 A 55 MET HBx A 60 LYS HEx 1.0 0.7 8.5 1429 747 A 55 MET HBy A 60 LYS HEx 1.0 0.7 8.5 1430 747 A 60 LYS HEy A 55 MET HBx 1.0 0.7 8.5 1431 747 A 60 LYS HEy A 55 MET HBy 1.0 0.7 8.5 1432 748 A 55 MET HBy A 60 LYS HGy 1.0 0.7 8.5 1433 748 A 55 MET HBx A 60 LYS HGy 1.0 0.7 8.5 1434 748 A 60 LYS HGx A 55 MET HBx 1.0 0.7 8.5 1435 748 A 60 LYS HGx A 55 MET HBy 1.0 0.7 8.5 1436 749 A 55 MET HBx A 60 LYS HDy 1.0 0.7 8.5 1437 749 A 55 MET HBy A 60 LYS HDy 1.0 0.7 8.5 1438 749 A 60 LYS HDx A 55 MET HBx 1.0 0.7 8.5 1439 749 A 60 LYS HDx A 55 MET HBy 1.0 0.7 8.5 1440 750 A 55 MET HBy A 60 LYS HDy 1.0 0.7 8.5 1441 750 A 60 LYS HDx A 55 MET HBx 1.0 0.7 8.5 1442 750 A 60 LYS HDx A 55 MET HBy 1.0 0.7 8.5 1443 750 A 55 MET HBx A 60 LYS HDy 1.0 0.7 8.5 1444 751 A 55 MET HBy A 60 LYS HGy 1.0 0.7 8.5 1445 751 A 55 MET HBx A 60 LYS HGy 1.0 0.7 8.5 1446 751 A 60 LYS HGx A 55 MET HBx 1.0 0.7 8.5 1447 751 A 60 LYS HGx A 55 MET HBy 1.0 0.7 8.5 1448 752 A 59 GLU H A 55 MET HBx 1.0 0.8 7.0 1449 752 A 55 MET HBy A 59 GLU H 1.0 0.8 7.0 1450 753 A 24 GLN HE2y A 24 GLN HGx 1.0 1.2 9.0 1451 753 A 24 GLN HE2x A 24 GLN HGx 1.0 1.2 9.0 1452 753 A 24 GLN HGy A 24 GLN HE2y 1.0 1.2 9.0 1453 753 A 24 GLN HGy A 24 GLN HE2x 1.0 1.2 9.0 1454 754 A 24 GLN HE2y A 24 GLN HGx 1.0 1.2 9.0 1455 754 A 24 GLN HE2x A 24 GLN HGx 1.0 1.2 9.0 1456 754 A 24 GLN HGy A 24 GLN HE2y 1.0 1.2 9.0 1457 754 A 24 GLN HGy A 24 GLN HE2x 1.0 1.2 9.0 1458 755 A 24 GLN H A 24 GLN HGx 1.0 0.3 5.8 1459 755 A 24 GLN H A 24 GLN HGy 1.0 0.3 5.8 1460 756 A 24 GLN H A 24 GLN HGx 1.0 0.3 5.8 1461 756 A 24 GLN H A 24 GLN HGy 1.0 0.3 5.8 1462 757 A 21 PHE HA A 24 GLN HGx 1.0 0.3 7.5 1463 757 A 21 PHE HA A 24 GLN HGy 1.0 0.3 7.5 1464 758 A 21 PHE HA A 24 GLN HGx 1.0 0.3 7.5 1465 758 A 21 PHE HA A 24 GLN HGy 1.0 0.3 7.5 1466 759 A 24 GLN HA A 24 GLN HGx 1.0 0.3 5.8 1467 759 A 24 GLN HA A 24 GLN HGy 1.0 0.3 5.8 1468 760 A 24 GLN HA A 24 GLN HGx 1.0 0.3 7.5 1469 760 A 24 GLN HA A 24 GLN HGy 1.0 0.3 7.5 1470 761 A 24 GLN HB3 A 24 GLN HGx 1.0 0.7 5.9 1471 761 A 24 GLN HB2 A 24 GLN HGx 1.0 0.7 5.9 1472 761 A 24 GLN HGy A 24 GLN HB2 1.0 0.7 5.9 1473 761 A 24 GLN HB3 A 24 GLN HGy 1.0 0.7 5.9 1474 762 A 24 GLN HB3 A 24 GLN HGx 1.0 0.7 5.9 1475 762 A 24 GLN HB2 A 24 GLN HGx 1.0 0.7 5.9 1476 762 A 24 GLN HGy A 24 GLN HB2 1.0 0.7 5.9 1477 762 A 24 GLN HB3 A 24 GLN HGy 1.0 0.7 5.9 1478 763 A 16 MET HE% A 24 GLN HGx 1.0 1.2 9.0 1479 763 A 24 GLN HGy A 16 MET HE% 1.0 1.2 9.0 1480 764 A 23 VAL HGx% A 24 GLN HGx 1.0 1.2 9.0 1481 764 A 23 VAL HGx% A 24 GLN HGy 1.0 1.2 9.0 1482 765 A 63 PHE HD% A 60 LYS HBx 1.0 1.6 9.4 1483 765 A 60 LYS HBy A 63 PHE HD% 1.0 1.6 9.4 1484 766 A 22 PHE HE% A 23 VAL HA 1.0 0.6 8.4 1485 767 A 25 THR H A 23 VAL HA 1.0 1.8 6.0 1486 768 A 22 PHE HD% A 23 VAL HA 1.0 0.6 8.4 1487 769 A 30 HIS HA A 33 LYS HBx 1.0 0.8 7.0 1488 769 A 30 HIS HA A 33 LYS HBy 1.0 0.8 7.0 1489 770 A 48 CYS HBx A 23 VAL HA 1.0 1.8 6.0 1490 771 A 33 LYS HBy A 33 LYS HE2 1.0 0.7 8.5 1491 771 A 33 LYS HBx A 33 LYS HE2 1.0 0.7 8.5 1492 771 A 33 LYS HE3 A 33 LYS HBx 1.0 0.7 8.5 1493 771 A 33 LYS HE3 A 33 LYS HBy 1.0 0.7 8.5 1494 772 A 23 VAL HA A 22 PHE HBy 1.0 0.8 7.0 1495 772 A 22 PHE HBx A 23 VAL HA 1.0 0.8 7.0 1496 773 A 23 VAL HB A 24 GLN HGx 1.0 0.3 7.5 1497 773 A 24 GLN HGy A 23 VAL HB 1.0 0.3 7.5 1498 774 A 25 THR HG2% A 24 GLN HGx 1.0 1.2 9.0 1499 774 A 24 GLN HGy A 25 THR HG2% 1.0 1.2 9.0 1500 775 A 60 LYS H A 60 LYS HBx 1.0 0.8 5.3 1501 775 A 60 LYS H A 60 LYS HBy 1.0 0.8 5.3 1502 776 A 11 LYS H A 11 LYS HBx 1.0 0.8 5.3 1503 776 A 11 LYS H A 11 LYS HBy 1.0 0.8 5.3 1504 777 A 52 TRP HH2 A 60 LYS HBx 1.0 0.3 7.5 1505 777 A 60 LYS HBy A 52 TRP HH2 1.0 0.3 7.5 1506 778 A 60 LYS HBy A 64 GLU HBx 1.0 0.2 8.0 1507 778 A 60 LYS HBx A 64 GLU HBx 1.0 0.2 8.0 1508 778 A 64 GLU HBy A 60 LYS HBx 1.0 0.2 8.0 1509 778 A 64 GLU HBy A 60 LYS HBy 1.0 0.2 8.0 1510 779 A 11 LYS HBy A 83 PRO HBy 1.0 0.2 8.0 1511 779 A 11 LYS HBx A 83 PRO HBy 1.0 0.2 8.0 1512 779 A 83 PRO HBx A 11 LYS HBx 1.0 0.2 8.0 1513 779 A 11 LYS HBy A 83 PRO HBx 1.0 0.2 8.0 1514 780 A 74 TYR HD% A 15 LYS HGy 1.0 2.1 9.9 1515 780 A 15 LYS HGx A 74 TYR HD% 1.0 2.1 9.9 1516 781 A 60 LYS HBy A 60 LYS HDy 1.0 0.7 6.8 1517 781 A 60 LYS HBx A 60 LYS HDy 1.0 0.7 6.8 1518 781 A 60 LYS HDx A 60 LYS HBx 1.0 0.7 6.8 1519 781 A 60 LYS HDx A 60 LYS HBy 1.0 0.7 6.8 1520 782 A 74 TYR HD% A 75 GLU H 1.0 0.6 6.7 1521 783 A 82 ILE H A 81 TYR HD% 1.0 0.6 6.7 1522 784 A 28 GLU H A 25 THR HA 1.0 1.8 4.3 1523 785 A 74 TYR HD% A 15 LYS H 1.0 0.6 8.4 1524 786 A 53 LYS H A 53 LYS HB2 1.0 0.8 4.4 1525 786 A 53 LYS H A 53 LYS HB3 1.0 0.8 4.4 1526 787 A 81 TYR HD% A 81 TYR HA 1.0 0.6 6.7 1527 788 A 81 TYR HD% A 82 ILE HA 1.0 0.6 8.4 1528 789 A 74 TYR HD% A 74 TYR HA 1.0 0.6 6.7 1529 790 A 24 GLN HA A 25 THR HA 1.0 1.8 6.0 1530 791 A 81 TYR HD% A 11 LYS HA 1.0 0.6 8.4 1531 792 A 74 TYR HD% A 75 GLU HA 1.0 0.6 8.4 1532 793 A 81 TYR HD% A 83 PRO HDx 1.0 1.6 9.4 1533 793 A 81 TYR HD% A 83 PRO HDy 1.0 1.6 9.4 1534 794 A 11 LYS HBx A 12 PRO HDx 1.0 0.2 8.0 1535 794 A 11 LYS HBy A 12 PRO HDx 1.0 0.2 8.0 1536 794 A 12 PRO HDy A 11 LYS HBx 1.0 0.2 8.0 1537 794 A 11 LYS HBy A 12 PRO HDy 1.0 0.2 8.0 1538 795 A 81 TYR HD% A 12 PRO HDx 1.0 1.6 7.7 1539 795 A 81 TYR HD% A 12 PRO HDy 1.0 1.6 7.7 1540 796 A 11 LYS HBy A 12 PRO HDx 1.0 0.2 8.0 1541 796 A 11 LYS HBx A 12 PRO HDx 1.0 0.2 8.0 1542 796 A 12 PRO HDy A 11 LYS HBx 1.0 0.2 8.0 1543 796 A 11 LYS HBy A 12 PRO HDy 1.0 0.2 8.0 1544 797 A 74 TYR HD% A 73 ARG HDy 1.0 2.1 9.9 1545 797 A 74 TYR HD% A 73 ARG HDx 1.0 2.1 9.9 1546 798 A 11 LYS HBx A 12 PRO HDx 1.0 0.2 8.0 1547 798 A 11 LYS HBy A 12 PRO HDx 1.0 0.2 8.0 1548 798 A 12 PRO HDy A 11 LYS HBx 1.0 0.2 8.0 1549 798 A 11 LYS HBy A 12 PRO HDy 1.0 0.2 8.0 1550 799 A 74 TYR HD% A 75 GLU HGx 1.0 2.1 9.9 1551 799 A 74 TYR HD% A 75 GLU HGy 1.0 2.1 9.9 1552 800 A 60 LYS HBy A 64 GLU HGx 1.0 0.7 8.5 1553 800 A 60 LYS HBx A 64 GLU HGx 1.0 0.7 8.5 1554 800 A 64 GLU HGy A 60 LYS HBx 1.0 0.7 8.5 1555 800 A 64 GLU HGy A 60 LYS HBy 1.0 0.7 8.5 1556 801 A 25 THR HA A 24 GLN HGx 1.0 0.3 5.8 1557 801 A 24 GLN HGy A 25 THR HA 1.0 0.3 5.8 1558 802 A 81 TYR HD% A 78 MET HG2 1.0 2.1 9.9 1559 802 A 81 TYR HD% A 78 MET HG3 1.0 2.1 9.9 1560 803 A 25 THR HA A 28 GLU HBy 1.0 0.8 5.3 1561 803 A 28 GLU HBx A 25 THR HA 1.0 0.8 5.3 1562 804 A 74 TYR HD% A 75 GLU HBx 1.0 1.6 9.4 1563 804 A 74 TYR HD% A 75 GLU HBy 1.0 1.6 9.4 1564 805 A 74 TYR HD% A 78 MET HB2 1.0 1.6 9.4 1565 805 A 74 TYR HD% A 78 MET HB3 1.0 1.6 9.4 1566 806 A 81 TYR HD% A 11 LYS HBx 1.0 1.6 9.4 1567 806 A 81 TYR HD% A 11 LYS HBy 1.0 1.6 9.4 1568 807 A 74 TYR HD% A 12 PRO HBy 1.0 1.6 7.7 1569 807 A 12 PRO HBx A 74 TYR HD% 1.0 1.6 7.7 1570 808 A 81 TYR HD% A 11 LYS HGx 1.0 2.1 9.9 1571 808 A 81 TYR HD% A 11 LYS HGy 1.0 2.1 9.9 1572 809 A 74 TYR HD% A 15 LYS HGy 1.0 2.1 9.9 1573 809 A 15 LYS HGx A 74 TYR HD% 1.0 2.1 9.9 1574 810 A 81 TYR HD% A 82 ILE HD1% 1.0 2.1 9.9 1575 811 A 27 ARG H A 25 THR HA 1.0 1.8 6.0 1576 812 A 59 GLU H A 58 LYS HBx 1.0 0.8 4.4 1577 812 A 59 GLU H A 58 LYS HBy 1.0 0.8 4.4 1578 813 A 79 LYS H A 79 LYS HB2 1.0 0.8 5.3 1579 813 A 79 LYS HB3 A 79 LYS H 1.0 0.8 5.3 1580 814 A 33 LYS H A 32 LYS HBx 1.0 0.8 5.3 1581 814 A 32 LYS HBy A 33 LYS H 1.0 0.8 5.3 1582 815 A 21 PHE HD% A 17 SER HBy 1.0 1.6 9.4 1583 815 A 17 SER HBx A 21 PHE HD% 1.0 1.6 9.4 1584 816 A 24 GLN H A 25 THR HA 1.0 1.8 6.0 1585 817 A 32 LYS HA A 32 LYS HBx 1.0 0.8 5.3 1586 817 A 32 LYS HBy A 32 LYS HA 1.0 0.8 5.3 1587 818 A 68 LYS HB3 A 68 LYS HEx 1.0 0.7 8.5 1588 818 A 68 LYS HEy A 68 LYS HB2 1.0 0.7 8.5 1589 818 A 68 LYS HB3 A 68 LYS HEy 1.0 0.7 8.5 1590 818 A 68 LYS HB2 A 68 LYS HEx 1.0 0.7 8.5 1591 819 A 79 LYS HB2 A 79 LYS HE2 1.0 0.7 8.5 1592 819 A 79 LYS HB3 A 79 LYS HE2 1.0 0.7 8.5 1593 819 A 79 LYS HE3 A 79 LYS HB2 1.0 0.7 8.5 1594 819 A 79 LYS HB3 A 79 LYS HE3 1.0 0.7 8.5 1595 820 A 53 LYS HB2 A 53 LYS HD2 1.0 0.7 5.9 1596 820 A 53 LYS HB3 A 53 LYS HD2 1.0 0.7 5.9 1597 820 A 53 LYS HD3 A 53 LYS HB2 1.0 0.7 5.9 1598 820 A 53 LYS HB3 A 53 LYS HD3 1.0 0.7 5.9 1599 821 A 68 LYS HB3 A 68 LYS HD2 1.0 0.7 5.9 1600 821 A 68 LYS HD3 A 68 LYS HB2 1.0 0.7 5.9 1601 821 A 68 LYS HB3 A 68 LYS HD3 1.0 0.7 5.9 1602 821 A 68 LYS HB2 A 68 LYS HD2 1.0 0.7 5.9 1603 822 A 57 ALA H A 58 LYS HBx 1.0 0.8 7.0 1604 822 A 57 ALA H A 58 LYS HBy 1.0 0.8 7.0 1605 823 A 65 ASP H A 66 MET HGx 1.0 0.3 7.5 1606 823 A 66 MET HGy A 65 ASP H 1.0 0.3 7.5 1607 824 A 40 ASN H A 39 VAL HB 1.0 1.8 4.3 1608 825 A 58 LYS H A 58 LYS HBx 1.0 0.8 5.3 1609 825 A 58 LYS H A 58 LYS HBy 1.0 0.8 5.3 1610 826 A 71 LYS H A 71 LYS HBx 1.0 0.8 5.3 1611 826 A 71 LYS H A 71 LYS HBy 1.0 0.8 5.3 1612 827 A 47 LYS H A 47 LYS HBx 1.0 0.8 5.3 1613 827 A 47 LYS H A 47 LYS HBy 1.0 0.8 5.3 1614 828 A 32 LYS H A 32 LYS HBx 1.0 0.8 5.3 1615 828 A 32 LYS H A 32 LYS HBy 1.0 0.8 5.3 1616 829 A 44 PHE HE% A 47 LYS HBx 1.0 1.6 9.4 1617 829 A 44 PHE HE% A 47 LYS HBy 1.0 1.6 9.4 1618 830 A 81 TYR HE% A 10 LYS HB2 1.0 1.6 9.4 1619 830 A 10 LYS HB3 A 81 TYR HE% 1.0 1.6 9.4 1620 831 A 10 LYS HB3 A 12 PRO HDx 1.0 0.2 8.0 1621 831 A 10 LYS HB2 A 12 PRO HDx 1.0 0.2 8.0 1622 831 A 12 PRO HDy A 10 LYS HB2 1.0 0.2 8.0 1623 831 A 10 LYS HB3 A 12 PRO HDy 1.0 0.2 8.0 1624 832 A 70 ASP HB3 A 71 LYS HBx 1.0 0.2 8.0 1625 832 A 70 ASP HB2 A 71 LYS HBx 1.0 0.2 8.0 1626 832 A 71 LYS HBy A 70 ASP HB2 1.0 0.2 8.0 1627 832 A 70 ASP HB3 A 71 LYS HBy 1.0 0.2 8.0 1628 833 A 10 LYS HB3 A 10 LYS HE2 1.0 0.7 8.5 1629 833 A 10 LYS HE3 A 10 LYS HB2 1.0 0.7 8.5 1630 833 A 10 LYS HB3 A 10 LYS HE3 1.0 0.7 8.5 1631 833 A 10 LYS HB2 A 10 LYS HE2 1.0 0.7 8.5 1632 834 A 71 LYS HBx A 75 GLU HGx 1.0 0.7 8.5 1633 834 A 71 LYS HBy A 75 GLU HGx 1.0 0.7 8.5 1634 834 A 75 GLU HGy A 71 LYS HBx 1.0 0.7 8.5 1635 834 A 71 LYS HBy A 75 GLU HGy 1.0 0.7 8.5 1636 835 A 15 LYS HEx A 71 LYS HBx 1.0 0.7 6.8 1637 835 A 15 LYS HEy A 71 LYS HBx 1.0 0.7 6.8 1638 835 A 71 LYS HBy A 15 LYS HEy 1.0 0.7 6.8 1639 835 A 71 LYS HBy A 15 LYS HEx 1.0 0.7 6.8 1640 836 A 10 LYS HB2 A 10 LYS HGx 1.0 0.7 5.9 1641 836 A 10 LYS HGy A 10 LYS HB2 1.0 0.7 5.9 1642 836 A 10 LYS HB3 A 10 LYS HGy 1.0 0.7 5.9 1643 836 A 10 LYS HB3 A 10 LYS HGx 1.0 0.7 5.9 1644 837 A 58 LYS HBx A 58 LYS HG2 1.0 0.7 6.8 1645 837 A 58 LYS HBy A 58 LYS HG2 1.0 0.7 6.8 1646 837 A 58 LYS HG3 A 58 LYS HBx 1.0 0.7 6.8 1647 837 A 58 LYS HBy A 58 LYS HG3 1.0 0.7 6.8 1648 838 A 18 SER H A 17 SER HBy 1.0 0.8 7.0 1649 838 A 17 SER HBx A 18 SER H 1.0 0.8 7.0 1650 839 A 18 SER H A 17 SER HBy 1.0 0.8 7.0 1651 839 A 17 SER HBx A 18 SER H 1.0 0.8 7.0 1652 840 A 19 TYR HD% A 23 VAL H 1.0 0.6 8.4 1653 841 A 65 ASP H A 66 MET HGx 1.0 0.3 7.5 1654 841 A 66 MET HGy A 65 ASP H 1.0 0.3 7.5 1655 842 A 14 GLY H A 12 PRO HBy 1.0 0.8 7.0 1656 842 A 12 PRO HBx A 14 GLY H 1.0 0.8 7.0 1657 843 A 74 TYR H A 15 LYS HB2 1.0 0.8 7.0 1658 843 A 15 LYS HB3 A 74 TYR H 1.0 0.8 7.0 1659 844 A 19 TYR HD% A 22 PHE H 1.0 0.6 8.4 1660 845 A 67 ALA H A 66 MET HGx 1.0 0.3 7.5 1661 845 A 67 ALA H A 66 MET HGy 1.0 0.3 7.5 1662 846 A 19 TYR HD% A 19 TYR H 1.0 0.6 8.4 1663 847 A 66 MET H A 66 MET HGx 1.0 0.3 5.8 1664 847 A 66 MET H A 66 MET HGy 1.0 0.3 5.8 1665 848 A 44 PHE HE% A 47 LYS HBx 1.0 1.6 9.4 1666 848 A 44 PHE HE% A 47 LYS HBy 1.0 1.6 9.4 1667 849 A 19 TYR HD% A 52 TRP HD1 1.0 1.1 8.9 1668 850 A 19 TYR HD% A 22 PHE HD% 1.0 3.0 9.1 1669 851 A 63 PHE HA A 66 MET HGx 1.0 0.3 7.5 1670 851 A 66 MET HGy A 63 PHE HA 1.0 0.3 7.5 1671 852 A 16 MET HA A 16 MET HGx 1.0 0.3 5.8 1672 852 A 16 MET HGy A 16 MET HA 1.0 0.3 5.8 1673 853 A 19 TYR HD% A 17 SER HBy 1.0 1.6 9.4 1674 853 A 19 TYR HD% A 17 SER HBx 1.0 1.6 9.4 1675 854 A 62 LYS HA A 66 MET HGx 1.0 0.3 7.5 1676 854 A 66 MET HGy A 62 LYS HA 1.0 0.3 7.5 1677 855 A 63 PHE HBy A 66 MET HGx 1.0 0.7 8.5 1678 855 A 63 PHE HBx A 66 MET HGx 1.0 0.7 8.5 1679 855 A 66 MET HGy A 63 PHE HBy 1.0 0.7 8.5 1680 855 A 66 MET HGy A 63 PHE HBx 1.0 0.7 8.5 1681 856 A 19 TYR HD% A 20 ALA HA 1.0 0.6 8.4 1682 857 A 19 TYR HD% A 52 TRP HBx 1.0 1.6 9.4 1683 857 A 19 TYR HD% A 52 TRP HBy 1.0 1.6 9.4 1684 858 A 19 TYR HD% A 19 TYR HA 1.0 0.6 6.7 1685 859 A 15 LYS HB2 A 15 LYS HEy 1.0 0.7 8.5 1686 859 A 15 LYS HB3 A 15 LYS HEy 1.0 0.7 8.5 1687 859 A 15 LYS HEx A 15 LYS HB2 1.0 0.7 8.5 1688 859 A 15 LYS HB3 A 15 LYS HEx 1.0 0.7 8.5 1689 860 A 19 TYR HD% A 22 PHE HBy 1.0 1.6 9.4 1690 860 A 19 TYR HD% A 22 PHE HBx 1.0 1.6 9.4 1691 861 A 19 TYR HD% A 23 VAL HB 1.0 0.6 8.4 1692 862 A 19 TYR HD% A 20 ALA HB% 1.0 2.1 9.9 1693 863 A 62 LYS HGx A 66 MET HGx 1.0 1.2 9.0 1694 863 A 62 LYS HGy A 66 MET HGx 1.0 1.2 9.0 1695 863 A 66 MET HGy A 62 LYS HGx 1.0 1.2 9.0 1696 863 A 66 MET HGy A 62 LYS HGy 1.0 1.2 9.0 1697 864 A 16 MET H A 16 MET HGx 1.0 0.3 7.5 1698 864 A 16 MET H A 16 MET HGy 1.0 0.3 7.5 1699 865 A 16 MET H A 16 MET HGx 1.0 0.3 7.5 1700 865 A 16 MET H A 16 MET HGy 1.0 0.3 7.5 1701 866 A 56 SER H A 56 SER HBx 1.0 0.8 7.0 1702 866 A 56 SER H A 56 SER HBy 1.0 0.8 7.0 1703 867 A 56 SER H A 56 SER HBx 1.0 0.8 5.3 1704 867 A 56 SER H A 56 SER HBy 1.0 0.8 5.3 1705 868 A 78 MET H A 78 MET HG2 1.0 0.3 7.5 1706 868 A 78 MET H A 78 MET HG3 1.0 0.3 7.5 1707 869 A 77 GLU H A 12 PRO HBy 1.0 0.8 7.0 1708 869 A 12 PRO HBx A 77 GLU H 1.0 0.8 7.0 1709 870 A 78 MET H A 12 PRO HBy 1.0 0.8 7.0 1710 870 A 78 MET H A 12 PRO HBx 1.0 0.8 7.0 1711 871 A 64 GLU H A 62 LYS HBx 1.0 0.8 7.0 1712 871 A 64 GLU H A 62 LYS HBy 1.0 0.8 7.0 1713 872 A 22 PHE HD% A 63 PHE HE% 1.0 3.0 9.1 1714 873 A 21 PHE HD% A 24 GLN HE2y 1.0 2.1 9.9 1715 873 A 21 PHE HD% A 24 GLN HE2x 1.0 2.1 9.9 1716 874 A 81 TYR H A 78 MET HG2 1.0 0.3 7.5 1717 874 A 81 TYR H A 78 MET HG3 1.0 0.3 7.5 1718 875 A 21 PHE HD% A 16 MET HGx 1.0 2.1 9.9 1719 875 A 21 PHE HD% A 16 MET HGy 1.0 2.1 9.9 1720 876 A 21 PHE HE% A 16 MET HGx 1.0 2.1 9.9 1721 876 A 21 PHE HE% A 16 MET HGy 1.0 2.1 9.9 1722 877 A 74 TYR HD% A 12 PRO HBy 1.0 1.6 9.4 1723 877 A 12 PRO HBx A 74 TYR HD% 1.0 1.6 9.4 1724 878 A 63 PHE HD% A 52 TRP HH2 1.0 1.1 8.9 1725 879 A 21 PHE HZ A 16 MET HGx 1.0 0.2 8.0 1726 879 A 21 PHE HZ A 16 MET HGy 1.0 0.2 8.0 1727 880 A 44 PHE HD% A 47 LYS HBx 1.0 1.6 9.4 1728 880 A 44 PHE HD% A 47 LYS HBy 1.0 1.6 9.4 1729 881 A 74 TYR HE% A 12 PRO HBy 1.0 1.6 9.4 1730 881 A 12 PRO HBx A 74 TYR HE% 1.0 1.6 9.4 1731 882 A 16 MET HA A 15 LYS HB2 1.0 0.8 7.0 1732 882 A 15 LYS HB3 A 16 MET HA 1.0 0.8 7.0 1733 883 A 22 PHE HD% A 52 TRP HA 1.0 0.6 8.4 1734 884 A 60 LYS HA A 63 PHE HE% 1.0 0.6 8.4 1735 885 A 22 PHE HD% A 49 SER HA 1.0 0.6 8.4 1736 886 A 22 PHE HD% A 63 PHE HBy 1.0 1.6 9.4 1737 886 A 22 PHE HD% A 63 PHE HBx 1.0 1.6 9.4 1738 887 A 22 PHE HA A 63 PHE HE% 1.0 0.6 8.4 1739 888 A 22 PHE HD% A 52 TRP HBx 1.0 1.6 9.4 1740 888 A 52 TRP HBy A 22 PHE HD% 1.0 1.6 9.4 1741 889 A 15 LYS HB3 A 70 ASP HB2 1.0 0.2 8.0 1742 889 A 15 LYS HB2 A 70 ASP HB2 1.0 0.2 8.0 1743 889 A 70 ASP HB3 A 15 LYS HB2 1.0 0.2 8.0 1744 889 A 70 ASP HB3 A 15 LYS HB3 1.0 0.2 8.0 1745 890 A 15 LYS HB2 A 73 ARG HDy 1.0 0.7 8.5 1746 890 A 15 LYS HB3 A 73 ARG HDy 1.0 0.7 8.5 1747 890 A 73 ARG HDx A 15 LYS HB2 1.0 0.7 8.5 1748 890 A 15 LYS HB3 A 73 ARG HDx 1.0 0.7 8.5 1749 891 A 12 PRO HBx A 74 TYR HBx 1.0 0.2 8.0 1750 891 A 12 PRO HBy A 74 TYR HBx 1.0 0.2 8.0 1751 891 A 74 TYR HBy A 12 PRO HBy 1.0 0.2 8.0 1752 891 A 12 PRO HBx A 74 TYR HBy 1.0 0.2 8.0 1753 892 A 15 LYS HB2 A 15 LYS HEy 1.0 0.7 6.8 1754 892 A 15 LYS HB3 A 15 LYS HEy 1.0 0.7 6.8 1755 892 A 15 LYS HEx A 15 LYS HB2 1.0 0.7 6.8 1756 892 A 15 LYS HB3 A 15 LYS HEx 1.0 0.7 6.8 1757 893 A 63 PHE HD% A 66 MET HGx 1.0 2.1 9.9 1758 893 A 66 MET HGy A 63 PHE HD% 1.0 2.1 9.9 1759 894 A 63 PHE HE% A 24 GLN HGx 1.0 2.1 9.9 1760 894 A 24 GLN HGy A 63 PHE HE% 1.0 2.1 9.9 1761 895 A 22 PHE HD% A 55 MET HE% 1.0 2.1 9.9 1762 896 A 56 SER HBx A 58 LYS HBx 1.0 0.2 8.0 1763 896 A 56 SER HBy A 58 LYS HBx 1.0 0.2 8.0 1764 896 A 58 LYS HBy A 56 SER HBx 1.0 0.2 8.0 1765 896 A 56 SER HBy A 58 LYS HBy 1.0 0.2 8.0 1766 897 A 63 PHE HD% A 62 LYS HBx 1.0 1.6 9.4 1767 897 A 63 PHE HD% A 62 LYS HBy 1.0 1.6 9.4 1768 898 A 63 PHE HD% A 66 MET HBx 1.0 1.6 9.4 1769 898 A 63 PHE HD% A 66 MET HBy 1.0 1.6 9.4 1770 899 A 22 PHE HD% A 62 LYS HD2 1.0 2.1 9.9 1771 899 A 22 PHE HD% A 62 LYS HD3 1.0 2.1 9.9 1772 900 A 22 PHE HD% A 25 THR HG2% 1.0 2.1 9.9 1773 901 A 57 ALA HB% A 56 SER HBx 1.0 0.7 8.5 1774 901 A 57 ALA HB% A 56 SER HBy 1.0 0.7 8.5 1775 902 A 20 ALA HB% A 16 MET HGx 1.0 1.2 7.3 1776 902 A 20 ALA HB% A 16 MET HGy 1.0 1.2 7.3 1777 903 A 63 PHE HD% A 62 LYS HGx 1.0 2.1 9.9 1778 903 A 63 PHE HD% A 62 LYS HGy 1.0 2.1 9.9 1779 904 A 22 PHE HD% A 23 VAL HGx% 1.0 2.1 9.9 1780 905 A 21 PHE HD% A 66 MET HBx 1.0 1.6 9.4 1781 905 A 21 PHE HD% A 66 MET HBy 1.0 1.6 9.4 1782 906 A 56 SER H A 55 MET HG2 1.0 0.3 7.5 1783 906 A 55 MET HG3 A 56 SER H 1.0 0.3 7.5 1784 907 A 13 ARG H A 12 PRO HBy 1.0 0.8 7.0 1785 907 A 12 PRO HBx A 13 ARG H 1.0 0.8 7.0 1786 908 A 65 ASP H A 66 MET HBx 1.0 0.8 7.0 1787 908 A 65 ASP H A 66 MET HBy 1.0 0.8 7.0 1788 909 A 68 LYS H A 66 MET HBx 1.0 0.8 7.0 1789 909 A 68 LYS H A 66 MET HBy 1.0 0.8 7.0 1790 910 A 67 ALA H A 66 MET HBx 1.0 0.8 7.0 1791 910 A 67 ALA H A 66 MET HBy 1.0 0.8 7.0 1792 911 A 62 LYS H A 62 LYS HBx 1.0 0.8 5.3 1793 911 A 62 LYS H A 62 LYS HBy 1.0 0.8 5.3 1794 912 A 62 LYS H A 62 LYS HBx 1.0 0.8 5.3 1795 912 A 62 LYS H A 62 LYS HBy 1.0 0.8 5.3 1796 913 A 53 LYS H A 55 MET HG2 1.0 0.3 7.5 1797 913 A 53 LYS H A 55 MET HG3 1.0 0.3 7.5 1798 914 A 63 PHE HD% A 62 LYS HBx 1.0 1.6 9.4 1799 914 A 63 PHE HD% A 62 LYS HBy 1.0 1.6 9.4 1800 915 A 63 PHE HE% A 62 LYS HBx 1.0 1.6 9.4 1801 915 A 62 LYS HBy A 63 PHE HE% 1.0 1.6 9.4 1802 916 A 22 PHE HE% A 55 MET HG2 1.0 2.1 9.9 1803 916 A 55 MET HG3 A 22 PHE HE% 1.0 2.1 9.9 1804 917 A 66 MET H A 66 MET HBx 1.0 0.8 5.3 1805 917 A 66 MET H A 66 MET HBy 1.0 0.8 5.3 1806 918 A 63 PHE H A 62 LYS HBx 1.0 0.8 5.3 1807 918 A 63 PHE H A 62 LYS HBy 1.0 0.8 5.3 1808 919 A 55 MET H A 55 MET HG2 1.0 0.3 5.8 1809 919 A 55 MET H A 55 MET HG3 1.0 0.3 5.8 1810 920 A 74 TYR HE% A 78 MET HG2 1.0 2.1 9.9 1811 920 A 74 TYR HE% A 78 MET HG3 1.0 2.1 9.9 1812 921 A 52 TRP HE3 A 55 MET HG2 1.0 0.2 8.0 1813 921 A 55 MET HG3 A 52 TRP HE3 1.0 0.2 8.0 1814 922 A 63 PHE HD% A 63 PHE HA 1.0 0.6 6.7 1815 923 A 63 PHE HA A 66 MET HBx 1.0 0.8 7.0 1816 923 A 66 MET HBy A 63 PHE HA 1.0 0.8 7.0 1817 924 A 63 PHE HA A 62 LYS HBx 1.0 0.8 7.0 1818 924 A 63 PHE HA A 62 LYS HBy 1.0 0.8 7.0 1819 925 A 63 PHE HA A 66 MET HBx 1.0 0.8 7.0 1820 925 A 66 MET HBy A 63 PHE HA 1.0 0.8 7.0 1821 926 A 67 ALA HA A 66 MET HBx 1.0 0.8 7.0 1822 926 A 66 MET HBy A 67 ALA HA 1.0 0.8 7.0 1823 927 A 18 SER HA A 21 PHE HD% 1.0 0.6 6.7 1824 928 A 55 MET HA A 55 MET HG2 1.0 0.3 5.8 1825 928 A 55 MET HG3 A 55 MET HA 1.0 0.3 5.8 1826 929 A 62 LYS HA A 62 LYS HBx 1.0 0.8 5.3 1827 929 A 62 LYS HA A 62 LYS HBy 1.0 0.8 5.3 1828 930 A 21 PHE HBy A 66 MET HBx 1.0 0.2 8.0 1829 930 A 21 PHE HBx A 66 MET HBx 1.0 0.2 8.0 1830 930 A 66 MET HBy A 21 PHE HBx 1.0 0.2 8.0 1831 930 A 21 PHE HBy A 66 MET HBy 1.0 0.2 8.0 1832 931 A 52 TRP HBy A 55 MET HG2 1.0 0.7 8.5 1833 931 A 52 TRP HBx A 55 MET HG2 1.0 0.7 8.5 1834 931 A 55 MET HG3 A 52 TRP HBx 1.0 0.7 8.5 1835 931 A 52 TRP HBy A 55 MET HG3 1.0 0.7 8.5 1836 932 A 21 PHE HBy A 66 MET HBx 1.0 0.2 8.0 1837 932 A 21 PHE HBx A 66 MET HBx 1.0 0.2 8.0 1838 932 A 66 MET HBy A 21 PHE HBx 1.0 0.2 8.0 1839 932 A 21 PHE HBy A 66 MET HBy 1.0 0.2 8.0 1840 933 A 63 PHE HD% A 62 LYS HE2 1.0 2.1 9.9 1841 933 A 63 PHE HD% A 62 LYS HE3 1.0 2.1 9.9 1842 934 A 62 LYS HBy A 62 LYS HE2 1.0 0.7 8.5 1843 934 A 62 LYS HBx A 62 LYS HE2 1.0 0.7 8.5 1844 934 A 62 LYS HE3 A 62 LYS HBx 1.0 0.7 8.5 1845 934 A 62 LYS HBy A 62 LYS HE3 1.0 0.7 8.5 1846 935 A 62 LYS HE3 A 66 MET HBx 1.0 0.7 8.5 1847 935 A 62 LYS HE2 A 66 MET HBx 1.0 0.7 8.5 1848 935 A 66 MET HBy A 62 LYS HE2 1.0 0.7 8.5 1849 935 A 66 MET HBy A 62 LYS HE3 1.0 0.7 8.5 1850 936 A 62 LYS HBy A 62 LYS HE2 1.0 0.7 8.5 1851 936 A 62 LYS HBx A 62 LYS HE2 1.0 0.7 8.5 1852 936 A 62 LYS HE3 A 62 LYS HBx 1.0 0.7 8.5 1853 936 A 62 LYS HBy A 62 LYS HE3 1.0 0.7 8.5 1854 937 A 62 LYS HBy A 66 MET HGx 1.0 0.7 8.5 1855 937 A 62 LYS HBx A 66 MET HGx 1.0 0.7 8.5 1856 937 A 66 MET HGy A 62 LYS HBx 1.0 0.7 8.5 1857 937 A 66 MET HGy A 62 LYS HBy 1.0 0.7 8.5 1858 938 A 63 PHE HD% A 22 PHE HBy 1.0 1.6 9.4 1859 938 A 63 PHE HD% A 22 PHE HBx 1.0 1.6 9.4 1860 939 A 55 MET HG3 A 59 GLU HBx 1.0 0.7 8.5 1861 939 A 59 GLU HBy A 55 MET HG2 1.0 0.7 8.5 1862 939 A 59 GLU HBy A 55 MET HG3 1.0 0.7 8.5 1863 939 A 55 MET HG2 A 59 GLU HBx 1.0 0.7 8.5 1864 940 A 55 MET HG3 A 59 GLU HBx 1.0 0.7 8.5 1865 940 A 59 GLU HBy A 55 MET HG2 1.0 0.7 8.5 1866 940 A 59 GLU HBy A 55 MET HG3 1.0 0.7 8.5 1867 940 A 55 MET HG2 A 59 GLU HBx 1.0 0.7 8.5 1868 941 A 21 PHE HD% A 24 GLN HB2 1.0 1.6 9.4 1869 941 A 21 PHE HD% A 24 GLN HB3 1.0 1.6 9.4 1870 942 A 21 PHE HD% A 66 MET HGx 1.0 2.1 9.9 1871 942 A 66 MET HGy A 21 PHE HD% 1.0 2.1 9.9 1872 943 A 66 MET HE% A 66 MET HBx 1.0 0.7 6.8 1873 943 A 66 MET HE% A 66 MET HBy 1.0 0.7 6.8 1874 944 A 67 ALA HB% A 21 PHE HD% 1.0 2.1 9.9 1875 945 A 55 MET HG2 A 60 LYS HGy 1.0 1.2 9.0 1876 945 A 55 MET HG3 A 60 LYS HGy 1.0 1.2 9.0 1877 945 A 60 LYS HGx A 55 MET HG2 1.0 1.2 9.0 1878 945 A 60 LYS HGx A 55 MET HG3 1.0 1.2 9.0 1879 946 A 55 MET HG3 A 60 LYS HDy 1.0 1.2 9.0 1880 946 A 55 MET HG2 A 60 LYS HDy 1.0 1.2 9.0 1881 946 A 60 LYS HDx A 55 MET HG2 1.0 1.2 9.0 1882 946 A 60 LYS HDx A 55 MET HG3 1.0 1.2 9.0 1883 947 A 63 PHE HE% A 62 LYS HGx 1.0 2.1 9.9 1884 947 A 62 LYS HGy A 63 PHE HE% 1.0 2.1 9.9 1885 948 A 63 PHE HD% A 60 LYS HGy 1.0 2.1 9.9 1886 948 A 60 LYS HGx A 63 PHE HD% 1.0 2.1 9.9 1887 949 A 21 PHE HE% A 70 ASP H 1.0 0.6 8.4 1888 950 A 21 PHE HE% A 67 ALA H 1.0 0.6 8.4 1889 951 A 37 ALA H A 35 PRO HA 1.0 1.8 6.0 1890 952 A 21 PHE HE% A 21 PHE HA 1.0 0.6 8.4 1891 953 A 42 SER HA A 41 PHE HE% 1.0 0.6 8.4 1892 954 A 41 PHE HE% A 24 GLN HB2 1.0 1.6 9.4 1893 954 A 24 GLN HB3 A 41 PHE HE% 1.0 1.6 9.4 1894 955 A 23 VAL HB A 41 PHE HE% 1.0 0.6 8.4 1895 956 A 21 PHE HE% A 16 MET HBx 1.0 1.6 9.4 1896 956 A 21 PHE HE% A 16 MET HBy 1.0 1.6 9.4 1897 957 A 41 PHE HD% A 27 ARG H 1.0 0.6 8.4 1898 958 A 40 ASN H A 44 PHE HE% 1.0 0.6 8.4 1899 959 A 31 LYS H A 44 PHE HE% 1.0 0.6 8.4 1900 960 A 22 PHE HD% A 23 VAL HB 1.0 0.6 8.4 1901 961 A 41 PHE HD% A 42 SER HA 1.0 0.6 8.4 1902 962 A 48 CYS HBx A 22 PHE HE% 1.0 0.6 8.4 1903 963 A 44 PHE HE% A 39 VAL HB 1.0 0.6 8.4 1904 964 A 44 PHE HD% A 39 VAL HB 1.0 0.6 8.4 1905 965 A 44 PHE HD% A 27 ARG HB2 1.0 1.6 9.4 1906 965 A 44 PHE HD% A 27 ARG HB3 1.0 1.6 9.4 1907 966 A 35 PRO HA A 31 LYS HDx 1.0 0.3 7.5 1908 966 A 35 PRO HA A 31 LYS HDy 1.0 0.3 7.5 1909 967 A 44 PHE HD% A 27 ARG HGy 1.0 2.1 9.9 1910 967 A 44 PHE HD% A 27 ARG HGx 1.0 2.1 9.9 1911 968 A 44 PHE HE% A 27 ARG HGy 1.0 2.1 9.9 1912 968 A 27 ARG HGx A 44 PHE HE% 1.0 2.1 9.9 1913 969 A 35 PRO HA A 31 LYS HGx 1.0 0.3 7.5 1914 969 A 35 PRO HA A 31 LYS HGy 1.0 0.3 7.5 1915 970 A 37 ALA HB% A 44 PHE HE% 1.0 2.1 9.9 1916 971 A 41 PHE HD% A 23 VAL HGx% 1.0 2.1 9.9 1917 972 A 23 VAL H A 23 VAL HB 1.0 1.8 4.3 1918 973 A 22 PHE H A 23 VAL HB 1.0 1.8 6.0 1919 974 A 20 ALA H A 23 VAL HB 1.0 1.8 6.0 1920 975 A 24 GLN H A 23 VAL HB 1.0 1.8 4.3 1921 976 A 81 TYR HD% A 83 PRO HBy 1.0 1.6 9.4 1922 976 A 81 TYR HD% A 83 PRO HBx 1.0 1.6 9.4 1923 977 A 81 TYR HE% A 83 PRO HBy 1.0 1.6 9.4 1924 977 A 81 TYR HE% A 83 PRO HBx 1.0 1.6 9.4 1925 978 A 48 CYS HA A 22 PHE HE% 1.0 0.6 8.4 1926 979 A 44 PHE HD% A 27 ARG HA 1.0 0.6 8.4 1927 980 A 83 PRO HBx A 84 PRO HDx 1.0 0.2 6.3 1928 980 A 83 PRO HBy A 84 PRO HDx 1.0 0.2 6.3 1929 980 A 84 PRO HDy A 83 PRO HBy 1.0 0.2 6.3 1930 980 A 83 PRO HBx A 84 PRO HDy 1.0 0.2 6.3 1931 981 A 22 PHE HE% A 52 TRP HBx 1.0 1.6 9.4 1932 981 A 52 TRP HBy A 22 PHE HE% 1.0 1.6 9.4 1933 982 A 44 PHE HD% A 43 GLU HGy 1.0 2.1 9.9 1934 982 A 44 PHE HD% A 43 GLU HGx 1.0 2.1 9.9 1935 983 A 20 ALA HB% A 23 VAL HB 1.0 0.3 7.5 1936 984 A 51 ARG HBx A 55 MET HG2 1.0 0.7 8.5 1937 984 A 51 ARG HBy A 55 MET HG2 1.0 0.7 8.5 1938 984 A 55 MET HG3 A 51 ARG HBx 1.0 0.7 8.5 1939 984 A 55 MET HG3 A 51 ARG HBy 1.0 0.7 8.5 1940 985 A 13 ARG H A 13 ARG HB2 1.0 0.8 5.3 1941 985 A 13 ARG HB3 A 13 ARG H 1.0 0.8 5.3 1942 986 A 29 GLU H A 30 HIS HBx 1.0 0.8 7.0 1943 986 A 29 GLU H A 30 HIS HBy 1.0 0.8 7.0 1944 987 A 52 TRP H A 52 TRP HBx 1.0 0.8 5.3 1945 987 A 52 TRP HBy A 52 TRP H 1.0 0.8 5.3 1946 988 A 11 LYS H A 9 PRO HA 1.0 1.8 6.0 1947 989 A 53 LYS H A 52 TRP HBx 1.0 0.8 7.0 1948 989 A 52 TRP HBy A 53 LYS H 1.0 0.8 7.0 1949 990 A 25 THR H A 27 ARG HB2 1.0 0.8 7.0 1950 990 A 25 THR H A 27 ARG HB3 1.0 0.8 7.0 1951 991 A 72 ALA H A 71 LYS HD2 1.0 0.3 7.5 1952 991 A 72 ALA H A 71 LYS HD3 1.0 0.3 7.5 1953 992 A 22 PHE HE% A 52 TRP HBx 1.0 1.6 9.4 1954 992 A 52 TRP HBy A 22 PHE HE% 1.0 1.6 9.4 1955 993 A 22 PHE HE% A 51 ARG HBx 1.0 1.6 9.4 1956 993 A 51 ARG HBy A 22 PHE HE% 1.0 1.6 9.4 1957 994 A 44 PHE HE% A 27 ARG HB2 1.0 1.6 9.4 1958 994 A 27 ARG HB3 A 44 PHE HE% 1.0 1.6 9.4 1959 995 A 44 PHE HE% A 30 HIS HBx 1.0 1.6 9.4 1960 995 A 30 HIS HBy A 44 PHE HE% 1.0 1.6 9.4 1961 996 A 44 PHE HE% A 30 HIS HBx 1.0 1.6 9.4 1962 996 A 30 HIS HBy A 44 PHE HE% 1.0 1.6 9.4 1963 997 A 44 PHE HD% A 30 HIS HBx 1.0 1.6 9.4 1964 997 A 44 PHE HD% A 30 HIS HBy 1.0 1.6 9.4 1965 998 A 19 TYR HE% A 52 TRP HBx 1.0 1.6 9.4 1966 998 A 19 TYR HE% A 52 TRP HBy 1.0 1.6 9.4 1967 999 A 22 PHE HD% A 63 PHE HZ 1.0 1.1 8.9 1968 1000 A 22 PHE HD% A 51 ARG HBx 1.0 1.6 9.4 1969 1000 A 51 ARG HBy A 22 PHE HD% 1.0 1.6 9.4 1970 1001 A 19 TYR HD% A 52 TRP HBx 1.0 1.6 9.4 1971 1001 A 19 TYR HD% A 52 TRP HBy 1.0 1.6 9.4 1972 1002 A 25 THR HB A 63 PHE HZ 1.0 1.3 6.5 1973 1003 A 31 LYS HA A 30 HIS HBx 1.0 0.8 7.0 1974 1003 A 30 HIS HBy A 31 LYS HA 1.0 0.8 7.0 1975 1004 A 31 LYS HA A 30 HIS HBx 1.0 0.8 7.0 1976 1004 A 30 HIS HBy A 31 LYS HA 1.0 0.8 7.0 1977 1005 A 27 ARG HA A 30 HIS HBx 1.0 0.8 7.0 1978 1005 A 30 HIS HBy A 27 ARG HA 1.0 0.8 7.0 1979 1006 A 27 ARG HA A 30 HIS HBx 1.0 0.8 7.0 1980 1006 A 30 HIS HBy A 27 ARG HA 1.0 0.8 7.0 1981 1007 A 22 PHE HA A 63 PHE HZ 1.0 1.3 6.5 1982 1008 A 13 ARG HB2 A 13 ARG HDx 1.0 0.7 6.8 1983 1008 A 13 ARG HB3 A 13 ARG HDx 1.0 0.7 6.8 1984 1008 A 13 ARG HDy A 13 ARG HB2 1.0 0.7 6.8 1985 1008 A 13 ARG HB3 A 13 ARG HDy 1.0 0.7 6.8 1986 1009 A 71 LYS HD3 A 75 GLU HGx 1.0 1.2 9.0 1987 1009 A 71 LYS HD2 A 75 GLU HGx 1.0 1.2 9.0 1988 1009 A 75 GLU HGy A 71 LYS HD2 1.0 1.2 9.0 1989 1009 A 71 LYS HD3 A 75 GLU HGy 1.0 1.2 9.0 1990 1010 A 51 ARG HBy A 52 TRP HBx 1.0 0.2 8.0 1991 1010 A 51 ARG HBx A 52 TRP HBx 1.0 0.2 8.0 1992 1010 A 52 TRP HBy A 51 ARG HBx 1.0 0.2 8.0 1993 1010 A 52 TRP HBy A 51 ARG HBy 1.0 0.2 8.0 1994 1011 A 51 ARG HBy A 52 TRP HBx 1.0 0.2 8.0 1995 1011 A 51 ARG HBx A 52 TRP HBx 1.0 0.2 8.0 1996 1011 A 52 TRP HBy A 51 ARG HBx 1.0 0.2 8.0 1997 1011 A 52 TRP HBy A 51 ARG HBy 1.0 0.2 8.0 1998 1012 A 52 TRP HBy A 53 LYS HB2 1.0 0.2 8.0 1999 1012 A 52 TRP HBx A 53 LYS HB2 1.0 0.2 8.0 2000 1012 A 53 LYS HB3 A 52 TRP HBx 1.0 0.2 8.0 2001 1012 A 52 TRP HBy A 53 LYS HB3 1.0 0.2 8.0 2002 1013 A 51 ARG HGx A 52 TRP HBx 1.0 0.7 8.5 2003 1013 A 51 ARG HGy A 52 TRP HBx 1.0 0.7 8.5 2004 1013 A 52 TRP HBy A 51 ARG HGx 1.0 0.7 8.5 2005 1013 A 52 TRP HBy A 51 ARG HGy 1.0 0.7 8.5 2006 1014 A 55 MET HE% A 63 PHE HZ 1.0 0.2 8.0 2007 1015 A 52 TRP HBx A 53 LYS HGy 1.0 0.7 8.5 2008 1015 A 52 TRP HBy A 53 LYS HGy 1.0 0.7 8.5 2009 1015 A 53 LYS HGx A 52 TRP HBx 1.0 0.7 8.5 2010 1015 A 52 TRP HBy A 53 LYS HGx 1.0 0.7 8.5 2011 1016 A 25 THR HG2% A 63 PHE HZ 1.0 0.2 6.3 2012 1017 A 63 PHE HZ A 62 LYS HD2 1.0 0.2 8.0 2013 1017 A 62 LYS HD3 A 63 PHE HZ 1.0 0.2 8.0 2014 1018 A 56 SER H A 59 GLU HBx 1.0 0.8 7.0 2015 1018 A 59 GLU HBy A 56 SER H 1.0 0.8 7.0 2016 1019 A 38 SER H A 38 SER HBx 1.0 0.8 7.0 2017 1019 A 38 SER H A 38 SER HBy 1.0 0.8 7.0 2018 1020 A 20 ALA H A 21 PHE HA 1.0 1.8 6.0 2019 1021 A 59 GLU H A 59 GLU HBx 1.0 0.8 5.3 2020 1021 A 59 GLU HBy A 59 GLU H 1.0 0.8 5.3 2021 1022 A 63 PHE HZ A 62 LYS HE2 1.0 0.2 8.0 2022 1022 A 62 LYS HE3 A 63 PHE HZ 1.0 0.2 8.0 2023 1023 A 55 MET HE% A 59 GLU HBx 1.0 0.7 6.8 2024 1023 A 59 GLU HBy A 55 MET HE% 1.0 0.7 6.8 2025 1024 A 37 ALA HB% A 38 SER HBx 1.0 0.7 8.5 2026 1024 A 37 ALA HB% A 38 SER HBy 1.0 0.7 8.5 2027 1025 A 37 ALA HB% A 38 SER HBx 1.0 0.7 8.5 2028 1025 A 37 ALA HB% A 38 SER HBy 1.0 0.7 8.5 2029 1026 A 39 VAL HGx% A 38 SER HBx 1.0 0.7 8.5 2030 1026 A 39 VAL HGx% A 38 SER HBy 1.0 0.7 8.5 2031 1027 A 72 ALA H A 75 GLU HBx 1.0 0.8 7.0 2032 1027 A 72 ALA H A 75 GLU HBy 1.0 0.8 7.0 2033 1028 A 21 PHE HD% A 21 PHE HA 1.0 0.6 6.7 2034 1029 A 44 PHE HD% A 43 GLU HB2 1.0 1.6 9.4 2035 1029 A 44 PHE HD% A 43 GLU HB3 1.0 1.6 9.4 2036 1030 A 43 GLU HA A 43 GLU HB2 1.0 0.8 5.3 2037 1030 A 43 GLU HB3 A 43 GLU HA 1.0 0.8 5.3 2038 1031 A 39 VAL HGx% A 38 SER HBx 1.0 0.7 8.5 2039 1031 A 39 VAL HGx% A 38 SER HBy 1.0 0.7 8.5 2040 1032 A 13 ARG H A 12 PRO HA 1.0 1.8 3.4 2041 1033 A 75 GLU H A 75 GLU HBx 1.0 0.8 5.3 2042 1033 A 75 GLU HBy A 75 GLU H 1.0 0.8 5.3 2043 1034 A 30 HIS H A 29 GLU HBx 1.0 0.8 5.3 2044 1034 A 29 GLU HBy A 30 HIS H 1.0 0.8 5.3 2045 1035 A 74 TYR HD% A 77 GLU HBx 1.0 1.6 9.4 2046 1035 A 74 TYR HD% A 77 GLU HBy 1.0 1.6 9.4 2047 1036 A 74 TYR HE% A 75 GLU HBx 1.0 1.6 9.4 2048 1036 A 75 GLU HBy A 74 TYR HE% 1.0 1.6 9.4 2049 1037 A 78 MET HA A 77 GLU HBx 1.0 0.8 7.0 2050 1037 A 78 MET HA A 77 GLU HBy 1.0 0.8 7.0 2051 1038 A 29 GLU HBy A 30 HIS HBx 1.0 0.2 8.0 2052 1038 A 29 GLU HBx A 30 HIS HBx 1.0 0.2 8.0 2053 1038 A 30 HIS HBy A 29 GLU HBx 1.0 0.2 8.0 2054 1038 A 29 GLU HBy A 30 HIS HBy 1.0 0.2 8.0 2055 1039 A 40 ASN HBy A 43 GLU HB2 1.0 0.2 8.0 2056 1039 A 43 GLU HB3 A 40 ASN HBx 1.0 0.2 8.0 2057 1039 A 40 ASN HBy A 43 GLU HB3 1.0 0.2 8.0 2058 1039 A 40 ASN HBx A 43 GLU HB2 1.0 0.2 8.0 2059 1040 A 43 GLU HB2 A 43 GLU HGy 1.0 0.7 5.9 2060 1040 A 43 GLU HB3 A 43 GLU HGy 1.0 0.7 5.9 2061 1040 A 43 GLU HGx A 43 GLU HB2 1.0 0.7 5.9 2062 1040 A 43 GLU HB3 A 43 GLU HGx 1.0 0.7 5.9 2063 1041 A 66 MET HE% A 62 LYS HD2 1.0 1.2 9.0 2064 1041 A 66 MET HE% A 62 LYS HD3 1.0 1.2 9.0 2065 1042 A 74 TYR H A 15 LYS HDy 1.0 0.3 7.5 2066 1042 A 15 LYS HDx A 74 TYR H 1.0 0.3 7.5 2067 1043 A 60 LYS H A 60 LYS HDy 1.0 0.3 7.5 2068 1043 A 60 LYS HDx A 60 LYS H 1.0 0.3 7.5 2069 1044 A 47 LYS H A 46 LYS HD2 1.0 0.3 7.5 2070 1044 A 47 LYS H A 46 LYS HD3 1.0 0.3 7.5 2071 1045 A 63 PHE H A 62 LYS HD2 1.0 0.3 7.5 2072 1045 A 63 PHE H A 62 LYS HD3 1.0 0.3 7.5 2073 1046 A 74 TYR HD% A 15 LYS HDy 1.0 2.1 9.9 2074 1046 A 15 LYS HDx A 74 TYR HD% 1.0 2.1 9.9 2075 1047 A 74 TYR HD% A 15 LYS HDy 1.0 2.1 9.9 2076 1047 A 15 LYS HDx A 74 TYR HD% 1.0 2.1 9.9 2077 1048 A 44 PHE HE% A 47 LYS HD2 1.0 2.1 9.9 2078 1048 A 44 PHE HE% A 47 LYS HD3 1.0 2.1 9.9 2079 1049 A 44 PHE HZ A 47 LYS HD2 1.0 0.2 8.0 2080 1049 A 47 LYS HD3 A 44 PHE HZ 1.0 0.2 8.0 2081 1050 A 52 TRP HH2 A 60 LYS HDy 1.0 0.2 8.0 2082 1050 A 60 LYS HDx A 52 TRP HH2 1.0 0.2 8.0 2083 1051 A 19 TYR HD% A 49 SER HA 1.0 0.6 8.4 2084 1052 A 72 ALA HA A 75 GLU HBx 1.0 0.8 5.3 2085 1052 A 72 ALA HA A 75 GLU HBy 1.0 0.8 5.3 2086 1053 A 60 LYS HA A 60 LYS HDy 1.0 0.3 7.5 2087 1053 A 60 LYS HDx A 60 LYS HA 1.0 0.3 7.5 2088 1054 A 58 LYS HA A 58 LYS HD2 1.0 0.3 5.8 2089 1054 A 58 LYS HA A 58 LYS HD3 1.0 0.3 5.8 2090 1055 A 71 LYS HA A 15 LYS HDy 1.0 0.3 5.8 2091 1055 A 15 LYS HDx A 71 LYS HA 1.0 0.3 5.8 2092 1056 A 27 ARG HA A 44 PHE HZ 1.0 1.3 6.5 2093 1057 A 44 PHE HZ A 30 HIS HBx 1.0 0.3 7.5 2094 1057 A 30 HIS HBy A 44 PHE HZ 1.0 0.3 7.5 2095 1058 A 41 PHE HZ A 27 ARG HD2 1.0 0.2 8.0 2096 1058 A 27 ARG HD3 A 41 PHE HZ 1.0 0.2 8.0 2097 1059 A 60 LYS HDy A 64 GLU HGx 1.0 1.2 9.0 2098 1059 A 60 LYS HDx A 64 GLU HGx 1.0 1.2 9.0 2099 1059 A 64 GLU HGy A 60 LYS HDy 1.0 1.2 9.0 2100 1059 A 60 LYS HDx A 64 GLU HGy 1.0 1.2 9.0 2101 1060 A 44 PHE HZ A 47 LYS HBx 1.0 0.3 7.5 2102 1060 A 47 LYS HBy A 44 PHE HZ 1.0 0.3 7.5 2103 1061 A 60 LYS HBx A 60 LYS HDy 1.0 0.7 6.8 2104 1061 A 60 LYS HBy A 60 LYS HDy 1.0 0.7 6.8 2105 1061 A 60 LYS HDx A 60 LYS HBx 1.0 0.7 6.8 2106 1061 A 60 LYS HDx A 60 LYS HBy 1.0 0.7 6.8 2107 1062 A 60 LYS HBy A 60 LYS HDy 1.0 0.7 8.5 2108 1062 A 60 LYS HBx A 60 LYS HDy 1.0 0.7 8.5 2109 1062 A 60 LYS HDx A 60 LYS HBx 1.0 0.7 8.5 2110 1062 A 60 LYS HDx A 60 LYS HBy 1.0 0.7 8.5 2111 1063 A 84 PRO HA A 85 LYS HGx 1.0 0.3 7.5 2112 1063 A 84 PRO HA A 85 LYS HGy 1.0 0.3 7.5 2113 1064 A 37 ALA HB% A 44 PHE HZ 1.0 0.2 8.0 2114 1065 A 84 PRO HA A 82 ILE HG2% 1.0 0.3 7.5 2115 1066 A 23 VAL HGx% A 41 PHE HZ 1.0 0.2 8.0 2116 1067 A 21 PHE HZ A 70 ASP H 1.0 1.3 6.5 2117 1068 A 10 LYS H A 10 LYS HD2 1.0 0.3 7.5 2118 1068 A 10 LYS H A 10 LYS HD3 1.0 0.3 7.5 2119 1069 A 58 LYS H A 58 LYS HD2 1.0 0.3 7.5 2120 1069 A 58 LYS H A 58 LYS HD3 1.0 0.3 7.5 2121 1070 A 50 GLU H A 49 SER HBx 1.0 0.8 7.0 2122 1070 A 50 GLU H A 49 SER HBy 1.0 0.8 7.0 2123 1071 A 52 TRP H A 49 SER HA 1.0 1.8 6.0 2124 1072 A 45 SER H A 45 SER HBx 1.0 0.8 5.3 2125 1072 A 45 SER HBy A 45 SER H 1.0 0.8 5.3 2126 1073 A 63 PHE HE% A 62 LYS HD2 1.0 2.1 9.9 2127 1073 A 62 LYS HD3 A 63 PHE HE% 1.0 2.1 9.9 2128 1074 A 33 LYS H A 34 HIS HBx 1.0 0.8 7.0 2129 1074 A 34 HIS HBy A 33 LYS H 1.0 0.8 7.0 2130 1075 A 41 PHE HE% A 45 SER HBx 1.0 1.6 9.4 2131 1075 A 45 SER HBy A 41 PHE HE% 1.0 1.6 9.4 2132 1076 A 41 PHE HZ A 45 SER HBx 1.0 0.3 7.5 2133 1076 A 45 SER HBy A 41 PHE HZ 1.0 0.3 7.5 2134 1077 A 41 PHE HD% A 45 SER HBx 1.0 1.6 9.4 2135 1077 A 41 PHE HD% A 45 SER HBy 1.0 1.6 9.4 2136 1078 A 44 PHE HD% A 47 LYS HD2 1.0 2.1 9.9 2137 1078 A 44 PHE HD% A 47 LYS HD3 1.0 2.1 9.9 2138 1079 A 10 LYS HA A 10 LYS HD2 1.0 0.3 5.8 2139 1079 A 10 LYS HA A 10 LYS HD3 1.0 0.3 5.8 2140 1080 A 42 SER HA A 45 SER HBx 1.0 0.8 7.0 2141 1080 A 45 SER HBy A 42 SER HA 1.0 0.8 7.0 2142 1081 A 42 SER HA A 45 SER HBx 1.0 0.8 7.0 2143 1081 A 45 SER HBy A 42 SER HA 1.0 0.8 7.0 2144 1082 A 46 LYS HA A 45 SER HBx 1.0 0.8 7.0 2145 1082 A 45 SER HBy A 46 LYS HA 1.0 0.8 7.0 2146 1083 A 61 GLY HAx A 64 GLU HBx 1.0 0.2 8.0 2147 1083 A 61 GLY HAy A 64 GLU HBx 1.0 0.2 8.0 2148 1083 A 64 GLU HBy A 61 GLY HAx 1.0 0.2 8.0 2149 1083 A 61 GLY HAy A 64 GLU HBy 1.0 0.2 8.0 2150 1084 A 34 HIS HBx A 35 PRO HDx 1.0 0.2 8.0 2151 1084 A 34 HIS HBy A 35 PRO HDx 1.0 0.2 8.0 2152 1084 A 35 PRO HDy A 34 HIS HBx 1.0 0.2 8.0 2153 1084 A 34 HIS HBy A 35 PRO HDy 1.0 0.2 8.0 2154 1085 A 49 SER HBy A 52 TRP HBx 1.0 0.2 8.0 2155 1085 A 49 SER HBx A 52 TRP HBx 1.0 0.2 8.0 2156 1085 A 52 TRP HBy A 49 SER HBx 1.0 0.2 8.0 2157 1085 A 52 TRP HBy A 49 SER HBy 1.0 0.2 8.0 2158 1086 A 34 HIS HBx A 35 PRO HDx 1.0 0.2 8.0 2159 1086 A 34 HIS HBy A 35 PRO HDx 1.0 0.2 8.0 2160 1086 A 35 PRO HDy A 34 HIS HBx 1.0 0.2 8.0 2161 1086 A 34 HIS HBy A 35 PRO HDy 1.0 0.2 8.0 2162 1087 A 49 SER HA A 52 TRP HBx 1.0 0.8 7.0 2163 1087 A 52 TRP HBy A 49 SER HA 1.0 0.8 7.0 2164 1088 A 74 TYR HA A 73 ARG HDy 1.0 0.3 5.8 2165 1088 A 73 ARG HDx A 74 TYR HA 1.0 0.3 5.8 2166 1089 A 21 PHE HZ A 70 ASP HB2 1.0 0.3 5.8 2167 1089 A 21 PHE HZ A 70 ASP HB3 1.0 0.3 5.8 2168 1090 A 44 PHE HBx A 45 SER HBx 1.0 0.2 8.0 2169 1090 A 45 SER HBy A 44 PHE HBx 1.0 0.2 8.0 2170 1090 A 44 PHE HBy A 45 SER HBy 1.0 0.2 8.0 2171 1090 A 44 PHE HBy A 45 SER HBx 1.0 0.2 8.0 2172 1091 A 74 TYR HA A 77 GLU HGx 1.0 0.3 7.5 2173 1091 A 74 TYR HA A 77 GLU HGy 1.0 0.3 7.5 2174 1092 A 74 TYR HA A 12 PRO HBy 1.0 0.8 7.0 2175 1092 A 12 PRO HBx A 74 TYR HA 1.0 0.8 7.0 2176 1093 A 21 PHE HZ A 71 LYS HBx 1.0 0.3 7.5 2177 1093 A 21 PHE HZ A 71 LYS HBy 1.0 0.3 7.5 2178 1094 A 15 LYS HDy A 71 LYS HBx 1.0 0.7 8.5 2179 1094 A 15 LYS HDx A 71 LYS HBx 1.0 0.7 8.5 2180 1094 A 71 LYS HBy A 15 LYS HDy 1.0 0.7 8.5 2181 1094 A 15 LYS HDx A 71 LYS HBy 1.0 0.7 8.5 2182 1095 A 74 TYR HA A 77 GLU HBx 1.0 0.8 5.3 2183 1095 A 77 GLU HBy A 74 TYR HA 1.0 0.8 5.3 2184 1096 A 45 SER HBx A 46 LYS HBx 1.0 0.2 8.0 2185 1096 A 45 SER HBy A 46 LYS HBx 1.0 0.2 8.0 2186 1096 A 46 LYS HBy A 45 SER HBx 1.0 0.2 8.0 2187 1096 A 45 SER HBy A 46 LYS HBy 1.0 0.2 8.0 2188 1097 A 45 SER HBy A 46 LYS HBx 1.0 0.2 8.0 2189 1097 A 45 SER HBx A 46 LYS HBx 1.0 0.2 8.0 2190 1097 A 46 LYS HBy A 45 SER HBx 1.0 0.2 8.0 2191 1097 A 45 SER HBy A 46 LYS HBy 1.0 0.2 8.0 2192 1098 A 74 TYR HA A 12 PRO HBy 1.0 0.8 7.0 2193 1098 A 12 PRO HBx A 74 TYR HA 1.0 0.8 7.0 2194 1099 A 21 PHE HZ A 16 MET HBx 1.0 0.3 7.5 2195 1099 A 21 PHE HZ A 16 MET HBy 1.0 0.3 7.5 2196 1100 A 74 TYR HA A 15 LYS HGy 1.0 0.3 7.5 2197 1100 A 15 LYS HGx A 74 TYR HA 1.0 0.3 7.5 2198 1101 A 23 VAL HGx% A 45 SER HBx 1.0 0.7 8.5 2199 1101 A 45 SER HBy A 23 VAL HGx% 1.0 0.7 8.5 2200 1102 A 23 VAL HGy% A 49 SER HBx 1.0 0.7 8.5 2201 1102 A 49 SER HBy A 23 VAL HGy% 1.0 0.7 8.5 2202 1103 A 65 ASP H A 64 GLU HBx 1.0 0.8 7.0 2203 1103 A 64 GLU HBy A 65 ASP H 1.0 0.8 7.0 2204 1104 A 64 GLU H A 64 GLU HBx 1.0 0.8 5.3 2205 1104 A 64 GLU H A 64 GLU HBy 1.0 0.8 5.3 2206 1105 A 64 GLU H A 64 GLU HBx 1.0 0.8 5.3 2207 1105 A 64 GLU H A 64 GLU HBy 1.0 0.8 5.3 2208 1106 A 62 LYS H A 64 GLU HBx 1.0 0.8 7.0 2209 1106 A 64 GLU HBy A 62 LYS H 1.0 0.8 7.0 2210 1107 A 63 PHE H A 64 GLU HBx 1.0 0.8 7.0 2211 1107 A 64 GLU HBy A 63 PHE H 1.0 0.8 7.0 2212 1108 A 44 PHE HD% A 39 VAL HA 1.0 0.6 8.4 2213 1109 A 19 TYR HD% A 49 SER HBx 1.0 1.6 9.4 2214 1109 A 19 TYR HD% A 49 SER HBy 1.0 1.6 9.4 2215 1110 A 61 GLY HAx A 64 GLU HBx 1.0 0.2 6.3 2216 1110 A 61 GLY HAy A 64 GLU HBx 1.0 0.2 6.3 2217 1110 A 64 GLU HBy A 61 GLY HAx 1.0 0.2 6.3 2218 1110 A 61 GLY HAy A 64 GLU HBy 1.0 0.2 6.3 2219 1111 A 34 HIS HBy A 35 PRO HDx 1.0 0.2 8.0 2220 1111 A 34 HIS HBx A 35 PRO HDx 1.0 0.2 8.0 2221 1111 A 35 PRO HDy A 34 HIS HBx 1.0 0.2 8.0 2222 1111 A 34 HIS HBy A 35 PRO HDy 1.0 0.2 8.0 2223 1112 A 34 HIS HBx A 35 PRO HDx 1.0 0.2 8.0 2224 1112 A 34 HIS HBy A 35 PRO HDx 1.0 0.2 8.0 2225 1112 A 35 PRO HDy A 34 HIS HBx 1.0 0.2 8.0 2226 1112 A 34 HIS HBy A 35 PRO HDy 1.0 0.2 8.0 2227 1113 A 18 SER HBx A 64 GLU HGx 1.0 0.7 8.5 2228 1113 A 64 GLU HGy A 18 SER HBx 1.0 0.7 8.5 2229 1113 A 64 GLU HGy A 18 SER HBy 1.0 0.7 8.5 2230 1113 A 18 SER HBy A 64 GLU HGx 1.0 0.7 8.5 2231 1114 A 39 VAL HGx% A 39 VAL HA 1.0 0.3 5.8 2232 1115 A 21 PHE HZ A 66 MET HBx 1.0 0.3 7.5 2233 1115 A 21 PHE HZ A 66 MET HBy 1.0 0.3 7.5 2234 1116 A 25 THR H A 24 GLN HB2 1.0 0.8 7.0 2235 1116 A 25 THR H A 24 GLN HB3 1.0 0.8 7.0 2236 1117 A 39 VAL HA A 40 ASN HBx 1.0 0.8 7.0 2237 1117 A 40 ASN HBy A 39 VAL HA 1.0 0.8 7.0 2238 1118 A 39 VAL HA A 37 ALA HB% 1.0 0.3 7.5 2239 1119 A 45 SER HA A 41 PHE HZ 1.0 1.3 6.5 2240 1120 A 44 PHE HD% A 45 SER HA 1.0 0.6 8.4 2241 1121 A 45 SER HA A 44 PHE HBx 1.0 0.8 7.0 2242 1121 A 44 PHE HBy A 45 SER HA 1.0 0.8 7.0 2243 1122 A 13 ARG H A 12 PRO HGx 1.0 0.8 7.0 2244 1122 A 13 ARG H A 12 PRO HGy 1.0 0.8 7.0 2245 1123 A 13 ARG H A 12 PRO HGx 1.0 0.8 7.0 2246 1123 A 13 ARG H A 12 PRO HGy 1.0 0.8 7.0 2247 1124 A 27 ARG H A 27 ARG HGy 1.0 0.3 7.5 2248 1124 A 27 ARG H A 27 ARG HGx 1.0 0.3 7.5 2249 1125 A 78 MET H A 12 PRO HGx 1.0 0.8 7.0 2250 1125 A 78 MET H A 12 PRO HGy 1.0 0.8 7.0 2251 1126 A 28 GLU H A 27 ARG HGy 1.0 0.3 7.5 2252 1126 A 27 ARG HGx A 28 GLU H 1.0 0.3 7.5 2253 1127 A 63 PHE HD% A 22 PHE HA 1.0 0.6 6.7 2254 1128 A 18 SER HA A 52 TRP HZ2 1.0 1.3 6.5 2255 1129 A 53 LYS H A 54 THR HA 1.0 1.8 6.0 2256 1130 A 24 GLN H A 22 PHE HA 1.0 1.8 6.0 2257 1131 A 44 PHE HE% A 27 ARG HGy 1.0 2.1 9.9 2258 1131 A 27 ARG HGx A 44 PHE HE% 1.0 2.1 9.9 2259 1132 A 81 TYR HD% A 12 PRO HGx 1.0 1.6 9.4 2260 1132 A 81 TYR HD% A 12 PRO HGy 1.0 1.6 9.4 2261 1133 A 44 PHE HD% A 27 ARG HGy 1.0 2.1 9.9 2262 1133 A 44 PHE HD% A 27 ARG HGx 1.0 2.1 9.9 2263 1134 A 22 PHE HD% A 22 PHE HA 1.0 0.6 6.7 2264 1135 A 78 MET HA A 12 PRO HGx 1.0 0.8 7.0 2265 1135 A 78 MET HA A 12 PRO HGy 1.0 0.8 7.0 2266 1136 A 22 PHE HA A 25 THR HB 1.0 1.8 4.3 2267 1137 A 45 SER HA A 46 LYS HA 1.0 1.8 6.0 2268 1138 A 45 SER HA A 49 SER HBx 1.0 0.8 7.0 2269 1138 A 49 SER HBy A 45 SER HA 1.0 0.8 7.0 2270 1139 A 27 ARG HA A 27 ARG HGy 1.0 0.3 5.8 2271 1139 A 27 ARG HGx A 27 ARG HA 1.0 0.3 5.8 2272 1140 A 11 LYS HA A 12 PRO HGx 1.0 0.8 7.0 2273 1140 A 11 LYS HA A 12 PRO HGy 1.0 0.8 7.0 2274 1141 A 18 SER HA A 21 PHE HBx 1.0 0.8 7.0 2275 1141 A 21 PHE HBy A 18 SER HA 1.0 0.8 7.0 2276 1142 A 22 PHE HA A 21 PHE HBx 1.0 0.8 7.0 2277 1142 A 21 PHE HBy A 22 PHE HA 1.0 0.8 7.0 2278 1143 A 45 SER HA A 44 PHE HBx 1.0 0.8 7.0 2279 1143 A 44 PHE HBy A 45 SER HA 1.0 0.8 7.0 2280 1144 A 22 PHE HA A 23 VAL HA 1.0 1.8 6.0 2281 1145 A 18 SER HA A 64 GLU HGx 1.0 0.3 7.5 2282 1145 A 64 GLU HGy A 18 SER HA 1.0 0.3 7.5 2283 1146 A 12 PRO HGy A 78 MET HG2 1.0 0.7 8.5 2284 1146 A 12 PRO HGx A 78 MET HG2 1.0 0.7 8.5 2285 1146 A 78 MET HG3 A 12 PRO HGx 1.0 0.7 8.5 2286 1146 A 78 MET HG3 A 12 PRO HGy 1.0 0.7 8.5 2287 1147 A 18 SER HA A 67 ALA HB% 1.0 0.3 5.8 2288 1148 A 22 PHE HA A 25 THR HG2% 1.0 0.3 7.5 2289 1149 A 45 SER HA A 46 LYS HGx 1.0 0.3 7.5 2290 1149 A 46 LYS HGy A 45 SER HA 1.0 0.3 7.5 2291 1150 A 23 VAL HGx% A 45 SER HA 1.0 0.3 7.5 2292 1151 A 23 VAL HGx% A 27 ARG HGy 1.0 1.2 9.0 2293 1151 A 27 ARG HGx A 23 VAL HGx% 1.0 1.2 9.0 2294 1152 A 45 SER HA A 23 VAL HGy% 1.0 0.3 7.5 2295 1153 A 28 GLU H A 27 ARG HGy 1.0 0.3 7.5 2296 1153 A 27 ARG HGx A 28 GLU H 1.0 0.3 7.5 2297 1154 A 81 TYR H A 12 PRO HGx 1.0 0.8 7.0 2298 1154 A 81 TYR H A 12 PRO HGy 1.0 0.8 7.0 2299 1155 A 22 PHE HZ A 51 ARG HGx 1.0 0.2 8.0 2300 1155 A 22 PHE HZ A 51 ARG HGy 1.0 0.2 8.0 2301 1156 A 31 LYS HEx A 35 PRO HG2 1.0 0.7 8.5 2302 1156 A 31 LYS HEy A 35 PRO HG2 1.0 0.7 8.5 2303 1156 A 35 PRO HG3 A 31 LYS HEx 1.0 0.7 8.5 2304 1156 A 35 PRO HG3 A 31 LYS HEy 1.0 0.7 8.5 2305 1157 A 27 ARG HGx A 44 PHE HBx 1.0 0.7 8.5 2306 1157 A 27 ARG HGy A 44 PHE HBx 1.0 0.7 8.5 2307 1157 A 44 PHE HBy A 27 ARG HGy 1.0 0.7 8.5 2308 1157 A 44 PHE HBy A 27 ARG HGx 1.0 0.7 8.5 2309 1158 A 27 ARG HGx A 44 PHE HBx 1.0 0.7 8.5 2310 1158 A 27 ARG HGy A 44 PHE HBx 1.0 0.7 8.5 2311 1158 A 44 PHE HBy A 27 ARG HGy 1.0 0.7 8.5 2312 1158 A 44 PHE HBy A 27 ARG HGx 1.0 0.7 8.5 2313 1159 A 54 THR HG2% A 54 THR HA 1.0 0.3 4.9 2314 1160 A 82 ILE HG2% A 83 PRO HA 1.0 0.3 7.5 2315 1161 A 74 TYR H A 73 ARG HBx 1.0 0.8 7.0 2316 1161 A 74 TYR H A 73 ARG HBy 1.0 0.8 7.0 2317 1162 A 77 GLU H A 76 ARG HGx 1.0 0.3 7.5 2318 1162 A 77 GLU H A 76 ARG HGy 1.0 0.3 7.5 2319 1163 A 10 LYS H A 9 PRO HG2 1.0 0.8 7.0 2320 1163 A 10 LYS H A 9 PRO HG3 1.0 0.8 7.0 2321 1164 A 52 TRP H A 51 ARG HGx 1.0 0.3 7.5 2322 1164 A 52 TRP H A 51 ARG HGy 1.0 0.3 7.5 2323 1165 A 51 ARG H A 51 ARG HGx 1.0 0.3 7.5 2324 1165 A 51 ARG H A 51 ARG HGy 1.0 0.3 7.5 2325 1166 A 51 ARG H A 51 ARG HGx 1.0 0.3 7.5 2326 1166 A 51 ARG H A 51 ARG HGy 1.0 0.3 7.5 2327 1167 A 73 ARG H A 73 ARG HBx 1.0 0.8 7.0 2328 1167 A 73 ARG H A 73 ARG HBy 1.0 0.8 7.0 2329 1168 A 22 PHE HE% A 51 ARG HGx 1.0 2.1 9.9 2330 1168 A 22 PHE HE% A 51 ARG HGy 1.0 2.1 9.9 2331 1169 A 70 ASP HA A 73 ARG HBx 1.0 0.8 7.0 2332 1169 A 73 ARG HBy A 70 ASP HA 1.0 0.8 7.0 2333 1170 A 51 ARG HA A 51 ARG HGx 1.0 0.3 5.8 2334 1170 A 51 ARG HA A 51 ARG HGy 1.0 0.3 5.8 2335 1171 A 76 ARG HA A 76 ARG HGx 1.0 0.3 7.5 2336 1171 A 76 ARG HGy A 76 ARG HA 1.0 0.3 7.5 2337 1172 A 76 ARG HA A 76 ARG HGx 1.0 0.3 7.5 2338 1172 A 76 ARG HGy A 76 ARG HA 1.0 0.3 7.5 2339 1173 A 42 SER HA A 42 SER HB2 1.0 0.8 4.4 2340 1173 A 42 SER HB3 A 42 SER HA 1.0 0.8 4.4 2341 1174 A 73 ARG HBx A 73 ARG HDy 1.0 0.7 8.5 2342 1174 A 73 ARG HBy A 73 ARG HDy 1.0 0.7 8.5 2343 1174 A 73 ARG HDx A 73 ARG HBx 1.0 0.7 8.5 2344 1174 A 73 ARG HBy A 73 ARG HDx 1.0 0.7 8.5 2345 1175 A 73 ARG HBx A 73 ARG HDy 1.0 0.7 8.5 2346 1175 A 73 ARG HBy A 73 ARG HDy 1.0 0.7 8.5 2347 1175 A 73 ARG HDx A 73 ARG HBx 1.0 0.7 8.5 2348 1175 A 73 ARG HBy A 73 ARG HDx 1.0 0.7 8.5 2349 1176 A 51 ARG HGy A 55 MET HG2 1.0 1.2 9.0 2350 1176 A 51 ARG HGx A 55 MET HG2 1.0 1.2 9.0 2351 1176 A 55 MET HG3 A 51 ARG HGx 1.0 1.2 9.0 2352 1176 A 55 MET HG3 A 51 ARG HGy 1.0 1.2 9.0 2353 1177 A 51 ARG HGy A 55 MET HG2 1.0 1.2 9.0 2354 1177 A 51 ARG HGx A 55 MET HG2 1.0 1.2 9.0 2355 1177 A 55 MET HG3 A 51 ARG HGx 1.0 1.2 9.0 2356 1177 A 55 MET HG3 A 51 ARG HGy 1.0 1.2 9.0 2357 1178 A 72 ALA HB% A 73 ARG HBx 1.0 0.7 8.5 2358 1178 A 73 ARG HBy A 72 ALA HB% 1.0 0.7 8.5 2359 1179 A 53 LYS H A 52 TRP HD1 1.0 1.3 6.5 2360 1180 A 19 TYR HE% A 52 TRP HD1 1.0 1.1 8.9 2361 1181 A 52 TRP HD1 A 52 TRP HA 1.0 1.3 6.5 2362 1182 A 51 ARG HA A 51 ARG HGx 1.0 0.3 5.8 2363 1182 A 51 ARG HA A 51 ARG HGy 1.0 0.3 5.8 2364 1183 A 53 LYS HA A 52 TRP HD1 1.0 1.3 6.5 2365 1184 A 52 TRP HD1 A 52 TRP HBx 1.0 0.3 5.8 2366 1184 A 52 TRP HBy A 52 TRP HD1 1.0 0.3 5.8 2367 1185 A 52 TRP HD1 A 19 TYR HBx 1.0 0.3 7.5 2368 1185 A 19 TYR HBy A 52 TRP HD1 1.0 0.3 7.5 2369 1186 A 52 TRP HD1 A 53 LYS HB2 1.0 0.3 7.5 2370 1186 A 53 LYS HB3 A 52 TRP HD1 1.0 0.3 7.5 2371 1187 A 52 TRP HD1 A 53 LYS HGy 1.0 0.2 8.0 2372 1187 A 53 LYS HGx A 52 TRP HD1 1.0 0.2 8.0 2373 1188 A 11 LYS HBy A 83 PRO HG2 1.0 0.2 8.0 2374 1188 A 11 LYS HBx A 83 PRO HG2 1.0 0.2 8.0 2375 1188 A 83 PRO HG3 A 11 LYS HBx 1.0 0.2 8.0 2376 1188 A 11 LYS HBy A 83 PRO HG3 1.0 0.2 8.0 2377 1189 A 11 LYS HD3 A 83 PRO HG2 1.0 0.7 8.5 2378 1189 A 83 PRO HG3 A 11 LYS HD2 1.0 0.7 8.5 2379 1189 A 83 PRO HG3 A 11 LYS HD3 1.0 0.7 8.5 2380 1189 A 11 LYS HD2 A 83 PRO HG2 1.0 0.7 8.5 2381 1190 A 13 ARG H A 13 ARG HGy 1.0 0.3 7.5 2382 1190 A 13 ARG H A 13 ARG HGx 1.0 0.3 7.5 2383 1191 A 19 TYR HA A 23 VAL H 1.0 1.8 6.0 2384 1192 A 14 GLY H A 13 ARG HGy 1.0 0.3 7.5 2385 1192 A 14 GLY H A 13 ARG HGx 1.0 0.3 7.5 2386 1193 A 19 TYR HA A 22 PHE H 1.0 1.8 6.0 2387 1194 A 19 TYR HA A 52 TRP HH2 1.0 1.3 6.5 2388 1195 A 19 TYR HA A 22 PHE HD% 1.0 0.6 8.4 2389 1196 A 13 ARG HA A 13 ARG HGy 1.0 0.3 7.5 2390 1196 A 13 ARG HA A 13 ARG HGx 1.0 0.3 7.5 2391 1197 A 82 ILE HG1y A 83 PRO HDx 1.0 0.2 8.0 2392 1197 A 82 ILE HG1x A 83 PRO HDx 1.0 0.2 8.0 2393 1197 A 83 PRO HDy A 82 ILE HG1x 1.0 0.2 8.0 2394 1197 A 83 PRO HDy A 82 ILE HG1y 1.0 0.2 8.0 2395 1198 A 19 TYR HA A 22 PHE HBy 1.0 0.8 7.0 2396 1198 A 19 TYR HA A 22 PHE HBx 1.0 0.8 7.0 2397 1199 A 19 TYR HA A 23 VAL HGy% 1.0 0.3 7.5 2398 1200 A 82 ILE H A 82 ILE HG1x 1.0 0.8 5.3 2399 1200 A 82 ILE H A 82 ILE HG1y 1.0 0.8 5.3 2400 1201 A 19 TYR HA A 52 TRP HZ2 1.0 1.3 6.5 2401 1202 A 41 PHE HD% A 41 PHE HA 1.0 0.6 6.7 2402 1203 A 81 TYR HD% A 82 ILE HG1x 1.0 1.6 9.4 2403 1203 A 81 TYR HD% A 82 ILE HG1y 1.0 1.6 9.4 2404 1204 A 44 PHE HD% A 41 PHE HA 1.0 0.6 8.4 2405 1205 A 81 TYR HA A 82 ILE HG1x 1.0 0.8 7.0 2406 1205 A 81 TYR HA A 82 ILE HG1y 1.0 0.8 7.0 2407 1206 A 81 TYR HA A 82 ILE HG1x 1.0 0.8 7.0 2408 1206 A 81 TYR HA A 82 ILE HG1y 1.0 0.8 7.0 2409 1207 A 19 TYR HA A 18 SER HA 1.0 1.8 6.0 2410 1208 A 82 ILE HA A 82 ILE HG1x 1.0 0.8 5.3 2411 1208 A 82 ILE HG1y A 82 ILE HA 1.0 0.8 5.3 2412 1209 A 82 ILE HG1y A 83 PRO HDx 1.0 0.2 8.0 2413 1209 A 82 ILE HG1x A 83 PRO HDx 1.0 0.2 8.0 2414 1209 A 83 PRO HDy A 82 ILE HG1x 1.0 0.2 8.0 2415 1209 A 83 PRO HDy A 82 ILE HG1y 1.0 0.2 8.0 2416 1210 A 19 TYR HA A 52 TRP HBx 1.0 0.8 7.0 2417 1210 A 52 TRP HBy A 19 TYR HA 1.0 0.8 7.0 2418 1211 A 19 TYR HA A 63 PHE HBy 1.0 0.8 7.0 2419 1211 A 19 TYR HA A 63 PHE HBx 1.0 0.8 7.0 2420 1212 A 82 ILE HB A 82 ILE HG1x 1.0 0.8 5.3 2421 1212 A 82 ILE HG1y A 82 ILE HB 1.0 0.8 5.3 2422 1213 A 39 VAL HGy% A 41 PHE HA 1.0 0.3 7.5 2423 1214 A 64 GLU H A 60 LYS HA 1.0 1.8 6.0 2424 1215 A 30 HIS H A 27 ARG HA 1.0 1.8 6.0 2425 1216 A 63 PHE HD% A 60 LYS HGy 1.0 2.1 9.9 2426 1216 A 60 LYS HGx A 63 PHE HD% 1.0 2.1 9.9 2427 1217 A 63 PHE HD% A 60 LYS HA 1.0 0.6 6.7 2428 1218 A 74 TYR HD% A 71 LYS HA 1.0 0.6 8.4 2429 1219 A 44 PHE HE% A 27 ARG HA 1.0 0.6 6.7 2430 1220 A 52 TRP HH2 A 60 LYS HGy 1.0 0.2 8.0 2431 1220 A 60 LYS HGx A 52 TRP HH2 1.0 0.2 8.0 2432 1221 A 52 TRP HH2 A 60 LYS HGy 1.0 0.2 8.0 2433 1221 A 60 LYS HGx A 52 TRP HH2 1.0 0.2 8.0 2434 1222 A 30 HIS HD2 A 27 ARG HA 1.0 1.3 6.5 2435 1223 A 52 TRP HZ3 A 60 LYS HGy 1.0 0.2 8.0 2436 1223 A 60 LYS HGx A 52 TRP HZ3 1.0 0.2 8.0 2437 1224 A 27 ARG HA A 27 ARG HD2 1.0 0.3 7.5 2438 1224 A 27 ARG HD3 A 27 ARG HA 1.0 0.3 7.5 2439 1225 A 55 MET HG2 A 60 LYS HGy 1.0 1.2 9.0 2440 1225 A 55 MET HG3 A 60 LYS HGy 1.0 1.2 9.0 2441 1225 A 60 LYS HGx A 55 MET HG2 1.0 1.2 9.0 2442 1225 A 60 LYS HGx A 55 MET HG3 1.0 1.2 9.0 2443 1226 A 22 PHE HBy A 60 LYS HGy 1.0 0.7 8.5 2444 1226 A 22 PHE HBx A 60 LYS HGy 1.0 0.7 8.5 2445 1226 A 60 LYS HGx A 22 PHE HBy 1.0 0.7 8.5 2446 1226 A 60 LYS HGx A 22 PHE HBx 1.0 0.7 8.5 2447 1227 A 59 GLU HBx A 60 LYS HGy 1.0 0.7 8.5 2448 1227 A 59 GLU HBy A 60 LYS HGy 1.0 0.7 8.5 2449 1227 A 60 LYS HGx A 59 GLU HBx 1.0 0.7 8.5 2450 1227 A 59 GLU HBy A 60 LYS HGx 1.0 0.7 8.5 2451 1228 A 59 GLU HBx A 60 LYS HGy 1.0 0.7 8.5 2452 1228 A 59 GLU HBy A 60 LYS HGy 1.0 0.7 8.5 2453 1228 A 60 LYS HGx A 59 GLU HBx 1.0 0.7 8.5 2454 1228 A 59 GLU HBy A 60 LYS HGx 1.0 0.7 8.5 2455 1229 A 55 MET HBy A 60 LYS HGy 1.0 0.7 6.8 2456 1229 A 55 MET HBx A 60 LYS HGy 1.0 0.7 6.8 2457 1229 A 60 LYS HGx A 55 MET HBx 1.0 0.7 6.8 2458 1229 A 60 LYS HGx A 55 MET HBy 1.0 0.7 6.8 2459 1230 A 55 MET HBy A 60 LYS HGy 1.0 0.7 6.8 2460 1230 A 55 MET HBx A 60 LYS HGy 1.0 0.7 6.8 2461 1230 A 60 LYS HGx A 55 MET HBx 1.0 0.7 6.8 2462 1230 A 60 LYS HGx A 55 MET HBy 1.0 0.7 6.8 2463 1231 A 60 LYS HEy A 60 LYS HGy 1.0 1.2 9.0 2464 1231 A 60 LYS HEx A 60 LYS HGy 1.0 1.2 9.0 2465 1231 A 60 LYS HGx A 60 LYS HEx 1.0 1.2 9.0 2466 1231 A 60 LYS HEy A 60 LYS HGx 1.0 1.2 9.0 2467 1232 A 77 GLU HA A 80 THR HG2% 1.0 0.3 5.8 2468 1233 A 60 LYS HA A 60 LYS HGy 1.0 0.3 7.5 2469 1233 A 60 LYS HGx A 60 LYS HA 1.0 0.3 7.5 2470 1234 A 39 VAL HGy% A 27 ARG HA 1.0 0.3 7.5 2471 1235 A 60 LYS HA A 60 LYS HGy 1.0 0.3 5.8 2472 1235 A 60 LYS HGx A 60 LYS HA 1.0 0.3 5.8 2473 1236 A 22 PHE HE% A 52 TRP HA 1.0 0.6 8.4 2474 1237 A 55 MET H A 52 TRP HA 1.0 1.8 6.0 2475 1238 A 52 TRP HZ3 A 60 LYS HA 1.0 1.3 6.5 2476 1239 A 52 TRP HZ3 A 52 TRP HA 1.0 1.3 6.5 2477 1240 A 52 TRP HA A 52 TRP HE3 1.0 1.3 4.8 2478 1241 A 75 GLU HA A 74 TYR HBx 1.0 0.8 7.0 2479 1241 A 75 GLU HA A 74 TYR HBy 1.0 0.8 7.0 2480 1242 A 52 TRP HA A 55 MET HG2 1.0 0.3 7.5 2481 1242 A 55 MET HG3 A 52 TRP HA 1.0 0.3 7.5 2482 1243 A 60 LYS HA A 64 GLU HGx 1.0 0.3 7.5 2483 1243 A 64 GLU HGy A 60 LYS HA 1.0 0.3 7.5 2484 1244 A 52 TRP HA A 51 ARG HBx 1.0 0.8 7.0 2485 1244 A 51 ARG HBy A 52 TRP HA 1.0 0.8 7.0 2486 1245 A 76 ARG HA A 76 ARG HBx 1.0 0.8 4.4 2487 1245 A 76 ARG HBy A 76 ARG HA 1.0 0.8 4.4 2488 1246 A 52 TRP HA A 60 LYS HEx 1.0 0.3 7.5 2489 1246 A 60 LYS HEy A 52 TRP HA 1.0 0.3 7.5 2490 1247 A 60 LYS HA A 60 LYS HDy 1.0 0.3 7.5 2491 1247 A 60 LYS HDx A 60 LYS HA 1.0 0.3 7.5 2492 1248 A 24 GLN HA A 27 ARG H 1.0 1.8 6.0 2493 1249 A 69 ALA H A 66 MET HA 1.0 1.8 6.0 2494 1250 A 21 PHE HD% A 64 GLU HA 1.0 0.6 8.4 2495 1251 A 66 MET H A 64 GLU HA 1.0 1.8 6.0 2496 1252 A 44 PHE HD% A 44 PHE HA 1.0 0.6 6.7 2497 1253 A 75 GLU HA A 74 TYR HE% 1.0 0.6 8.4 2498 1254 A 19 TYR HD% A 52 TRP HA 1.0 0.6 8.4 2499 1255 A 66 MET HA A 65 ASP HA 1.0 1.8 6.0 2500 1256 A 67 ALA HA A 66 MET HA 1.0 1.8 6.0 2501 1257 A 64 GLU HA A 18 SER HBx 1.0 0.8 5.3 2502 1257 A 18 SER HBy A 64 GLU HA 1.0 0.8 5.3 2503 1258 A 66 MET HA A 66 MET HGx 1.0 0.3 5.8 2504 1258 A 66 MET HGy A 66 MET HA 1.0 0.3 5.8 2505 1259 A 64 GLU HA A 64 GLU HGx 1.0 0.3 5.8 2506 1259 A 64 GLU HGy A 64 GLU HA 1.0 0.3 5.8 2507 1260 A 75 GLU HA A 75 GLU HGx 1.0 0.3 5.8 2508 1260 A 75 GLU HA A 75 GLU HGy 1.0 0.3 5.8 2509 1261 A 66 MET HA A 66 MET HGx 1.0 0.3 5.8 2510 1261 A 66 MET HGy A 66 MET HA 1.0 0.3 5.8 2511 1262 A 24 GLN HA A 24 GLN HB2 1.0 0.8 4.4 2512 1262 A 24 GLN HA A 24 GLN HB3 1.0 0.8 4.4 2513 1263 A 24 GLN HA A 27 ARG HB2 1.0 0.8 5.3 2514 1263 A 24 GLN HA A 27 ARG HB3 1.0 0.8 5.3 2515 1264 A 67 ALA HB% A 64 GLU HA 1.0 0.3 5.8 2516 1265 A 24 GLN HA A 23 VAL HB 1.0 1.8 6.0 2517 1266 A 27 ARG HA A 27 ARG HGy 1.0 0.3 5.8 2518 1266 A 27 ARG HGx A 27 ARG HA 1.0 0.3 5.8 2519 1267 A 39 VAL HGy% A 44 PHE HA 1.0 0.3 7.5 2520 1268 A 67 ALA H A 68 LYS HGx 1.0 0.3 7.5 2521 1268 A 67 ALA H A 68 LYS HGy 1.0 0.3 7.5 2522 1269 A 69 ALA H A 68 LYS HGx 1.0 0.3 7.5 2523 1269 A 69 ALA H A 68 LYS HGy 1.0 0.3 7.5 2524 1270 A 52 TRP HD1 A 53 LYS HGy 1.0 0.2 8.0 2525 1270 A 53 LYS HGx A 52 TRP HD1 1.0 0.2 8.0 2526 1271 A 59 GLU HA A 59 GLU HG2 1.0 0.3 4.9 2527 1271 A 59 GLU HG3 A 59 GLU HA 1.0 0.3 4.9 2528 1272 A 52 TRP H A 53 LYS HGy 1.0 0.3 7.5 2529 1272 A 53 LYS HGx A 52 TRP H 1.0 0.3 7.5 2530 1273 A 52 TRP H A 53 LYS HGy 1.0 0.3 7.5 2531 1273 A 53 LYS HGx A 52 TRP H 1.0 0.3 7.5 2532 1274 A 73 ARG H A 73 ARG HGx 1.0 0.3 7.5 2533 1274 A 73 ARG H A 73 ARG HGy 1.0 0.3 7.5 2534 1275 A 34 HIS H A 33 LYS HGx 1.0 0.3 7.5 2535 1275 A 34 HIS H A 33 LYS HGy 1.0 0.3 7.5 2536 1276 A 53 LYS H A 53 LYS HGy 1.0 0.3 5.8 2537 1276 A 53 LYS HGx A 53 LYS H 1.0 0.3 5.8 2538 1277 A 79 LYS H A 79 LYS HG2 1.0 0.3 7.5 2539 1277 A 79 LYS HG3 A 79 LYS H 1.0 0.3 7.5 2540 1278 A 33 LYS H A 33 LYS HGx 1.0 0.3 7.5 2541 1278 A 33 LYS H A 33 LYS HGy 1.0 0.3 7.5 2542 1279 A 53 LYS HA A 55 MET H 1.0 1.8 6.0 2543 1280 A 65 ASP HA A 68 LYS HGx 1.0 0.3 7.5 2544 1280 A 68 LYS HGy A 65 ASP HA 1.0 0.3 7.5 2545 1281 A 30 HIS HA A 33 LYS HGx 1.0 0.3 7.5 2546 1281 A 30 HIS HA A 33 LYS HGy 1.0 0.3 7.5 2547 1282 A 68 LYS HA A 68 LYS HGx 1.0 0.3 5.8 2548 1282 A 68 LYS HA A 68 LYS HGy 1.0 0.3 5.8 2549 1283 A 68 LYS HA A 68 LYS HGx 1.0 0.3 5.8 2550 1283 A 68 LYS HA A 68 LYS HGy 1.0 0.3 5.8 2551 1284 A 32 LYS HA A 32 LYS HGx 1.0 0.3 5.8 2552 1284 A 32 LYS HGy A 32 LYS HA 1.0 0.3 5.8 2553 1285 A 53 LYS HA A 53 LYS HGy 1.0 0.3 5.8 2554 1285 A 53 LYS HA A 53 LYS HGx 1.0 0.3 5.8 2555 1286 A 52 TRP HBx A 53 LYS HGy 1.0 0.7 8.5 2556 1286 A 52 TRP HBy A 53 LYS HGy 1.0 0.7 8.5 2557 1286 A 53 LYS HGx A 52 TRP HBx 1.0 0.7 8.5 2558 1286 A 52 TRP HBy A 53 LYS HGx 1.0 0.7 8.5 2559 1287 A 32 LYS HA A 35 PRO HDx 1.0 0.8 7.0 2560 1287 A 35 PRO HDy A 32 LYS HA 1.0 0.8 7.0 2561 1288 A 53 LYS HA A 52 TRP HBx 1.0 0.8 7.0 2562 1288 A 53 LYS HA A 52 TRP HBy 1.0 0.8 7.0 2563 1289 A 53 LYS HEx A 53 LYS HGy 1.0 1.2 7.3 2564 1289 A 53 LYS HEy A 53 LYS HGy 1.0 1.2 7.3 2565 1289 A 53 LYS HGx A 53 LYS HEx 1.0 1.2 7.3 2566 1289 A 53 LYS HGx A 53 LYS HEy 1.0 1.2 7.3 2567 1290 A 68 LYS HEx A 68 LYS HGx 1.0 1.2 9.0 2568 1290 A 68 LYS HEy A 68 LYS HGx 1.0 1.2 9.0 2569 1290 A 68 LYS HGy A 68 LYS HEx 1.0 1.2 9.0 2570 1290 A 68 LYS HGy A 68 LYS HEy 1.0 1.2 9.0 2571 1291 A 79 LYS HE3 A 79 LYS HG2 1.0 1.2 7.3 2572 1291 A 79 LYS HG3 A 79 LYS HE2 1.0 1.2 7.3 2573 1291 A 79 LYS HG3 A 79 LYS HE3 1.0 1.2 7.3 2574 1291 A 79 LYS HE2 A 79 LYS HG2 1.0 1.2 7.3 2575 1292 A 53 LYS HB2 A 53 LYS HGy 1.0 0.7 6.8 2576 1292 A 53 LYS HB3 A 53 LYS HGy 1.0 0.7 6.8 2577 1292 A 53 LYS HGx A 53 LYS HB2 1.0 0.7 6.8 2578 1292 A 53 LYS HGx A 53 LYS HB3 1.0 0.7 6.8 2579 1293 A 79 LYS HB3 A 79 LYS HG2 1.0 0.7 6.8 2580 1293 A 79 LYS HB2 A 79 LYS HG2 1.0 0.7 6.8 2581 1293 A 79 LYS HG3 A 79 LYS HB2 1.0 0.7 6.8 2582 1293 A 79 LYS HB3 A 79 LYS HG3 1.0 0.7 6.8 2583 1294 A 32 LYS HBx A 33 LYS HGx 1.0 0.7 8.5 2584 1294 A 32 LYS HBy A 33 LYS HGx 1.0 0.7 8.5 2585 1294 A 33 LYS HGy A 32 LYS HBx 1.0 0.7 8.5 2586 1294 A 32 LYS HBy A 33 LYS HGy 1.0 0.7 8.5 2587 1295 A 74 TYR H A 73 ARG HGx 1.0 0.3 7.5 2588 1295 A 74 TYR H A 73 ARG HGy 1.0 0.3 7.5 2589 1296 A 10 LYS H A 10 LYS HGx 1.0 0.3 5.8 2590 1296 A 10 LYS H A 10 LYS HGy 1.0 0.3 5.8 2591 1297 A 10 LYS H A 10 LYS HGx 1.0 0.3 7.5 2592 1297 A 10 LYS H A 10 LYS HGy 1.0 0.3 7.5 2593 1298 A 58 LYS H A 58 LYS HG2 1.0 0.3 7.5 2594 1298 A 58 LYS H A 58 LYS HG3 1.0 0.3 7.5 2595 1299 A 31 LYS H A 31 LYS HGx 1.0 0.3 7.5 2596 1299 A 31 LYS H A 31 LYS HGy 1.0 0.3 7.5 2597 1300 A 47 LYS H A 46 LYS HGx 1.0 0.3 5.8 2598 1300 A 46 LYS HGy A 47 LYS H 1.0 0.3 5.8 2599 1301 A 72 ALA H A 71 LYS HG2 1.0 0.3 7.5 2600 1301 A 72 ALA H A 71 LYS HG3 1.0 0.3 7.5 2601 1302 A 22 PHE HZ A 48 CYS HA 1.0 1.3 6.5 2602 1303 A 74 TYR HD% A 71 LYS HG2 1.0 2.1 9.9 2603 1303 A 74 TYR HD% A 71 LYS HG3 1.0 2.1 9.9 2604 1304 A 74 TYR HE% A 71 LYS HG2 1.0 2.1 9.9 2605 1304 A 71 LYS HG3 A 74 TYR HE% 1.0 2.1 9.9 2606 1305 A 35 PRO HA A 31 LYS HA 1.0 1.8 6.0 2607 1306 A 10 LYS HA A 10 LYS HGx 1.0 0.3 7.5 2608 1306 A 10 LYS HA A 10 LYS HGy 1.0 0.3 7.5 2609 1307 A 72 ALA HA A 71 LYS HG2 1.0 0.3 7.5 2610 1307 A 71 LYS HG3 A 72 ALA HA 1.0 0.3 7.5 2611 1308 A 85 LYS HA A 85 LYS HGx 1.0 0.3 7.5 2612 1308 A 85 LYS HGy A 85 LYS HA 1.0 0.3 7.5 2613 1309 A 58 LYS HA A 58 LYS HG2 1.0 0.3 5.8 2614 1309 A 58 LYS HG3 A 58 LYS HA 1.0 0.3 5.8 2615 1310 A 71 LYS HG3 A 75 GLU HGx 1.0 1.2 7.3 2616 1310 A 71 LYS HG2 A 75 GLU HGx 1.0 1.2 7.3 2617 1310 A 75 GLU HGy A 71 LYS HG2 1.0 1.2 7.3 2618 1310 A 71 LYS HG3 A 75 GLU HGy 1.0 1.2 7.3 2619 1311 A 71 LYS HG3 A 75 GLU HGx 1.0 1.2 9.0 2620 1311 A 71 LYS HG2 A 75 GLU HGx 1.0 1.2 9.0 2621 1311 A 75 GLU HGy A 71 LYS HG2 1.0 1.2 9.0 2622 1311 A 71 LYS HG3 A 75 GLU HGy 1.0 1.2 9.0 2623 1312 A 48 CYS HA A 51 ARG HBx 1.0 0.8 7.0 2624 1312 A 51 ARG HBy A 48 CYS HA 1.0 0.8 7.0 2625 1313 A 48 CYS HA A 51 ARG HBx 1.0 0.8 7.0 2626 1313 A 51 ARG HBy A 48 CYS HA 1.0 0.8 7.0 2627 1314 A 71 LYS HBy A 71 LYS HG2 1.0 0.7 6.8 2628 1314 A 71 LYS HBx A 71 LYS HG2 1.0 0.7 6.8 2629 1314 A 71 LYS HG3 A 71 LYS HBx 1.0 0.7 6.8 2630 1314 A 71 LYS HBy A 71 LYS HG3 1.0 0.7 6.8 2631 1315 A 48 CYS HA A 51 ARG HGx 1.0 0.3 7.5 2632 1315 A 48 CYS HA A 51 ARG HGy 1.0 0.3 7.5 2633 1316 A 10 LYS HB2 A 10 LYS HGx 1.0 0.7 5.9 2634 1316 A 10 LYS HGy A 10 LYS HB2 1.0 0.7 5.9 2635 1316 A 10 LYS HB3 A 10 LYS HGy 1.0 0.7 5.9 2636 1316 A 10 LYS HB3 A 10 LYS HGx 1.0 0.7 5.9 2637 1317 A 38 SER HA A 37 ALA HB% 1.0 0.3 7.5 2638 1318 A 39 VAL HGx% A 38 SER HA 1.0 0.3 7.5 2639 1319 A 39 VAL HGy% A 31 LYS HA 1.0 0.3 7.5 2640 1320 A 81 TYR HE% A 10 LYS HGx 1.0 2.1 9.9 2641 1320 A 81 TYR HE% A 10 LYS HGy 1.0 2.1 9.9 2642 1321 A 81 TYR HE% A 81 TYR HA 1.0 0.6 8.4 2643 1322 A 14 GLY HAy A 15 LYS HGy 1.0 0.7 8.5 2644 1322 A 14 GLY HAx A 15 LYS HGy 1.0 0.7 8.5 2645 1322 A 15 LYS HGx A 14 GLY HAx 1.0 0.7 8.5 2646 1322 A 15 LYS HGx A 14 GLY HAy 1.0 0.7 8.5 2647 1323 A 15 LYS HGx A 71 LYS HBx 1.0 0.7 8.5 2648 1323 A 71 LYS HBy A 15 LYS HGy 1.0 0.7 8.5 2649 1323 A 15 LYS HGx A 71 LYS HBy 1.0 0.7 8.5 2650 1323 A 15 LYS HGy A 71 LYS HBx 1.0 0.7 8.5 2651 1324 A 81 TYR HA A 82 ILE HB 1.0 1.8 6.0 2652 1325 A 74 TYR H A 15 LYS HGy 1.0 0.3 7.5 2653 1325 A 15 LYS HGx A 74 TYR H 1.0 0.3 7.5 2654 1326 A 15 LYS HGx A 70 ASP HB2 1.0 0.7 8.5 2655 1326 A 15 LYS HGy A 70 ASP HB2 1.0 0.7 8.5 2656 1326 A 70 ASP HB3 A 15 LYS HGy 1.0 0.7 8.5 2657 1326 A 15 LYS HGx A 70 ASP HB3 1.0 0.7 8.5 2658 1327 A 15 LYS HGy A 73 ARG HDy 1.0 1.2 9.0 2659 1327 A 15 LYS HGx A 73 ARG HDy 1.0 1.2 9.0 2660 1327 A 73 ARG HDx A 15 LYS HGy 1.0 1.2 9.0 2661 1327 A 15 LYS HGx A 73 ARG HDx 1.0 1.2 9.0 2662 1328 A 11 LYS HGy A 78 MET HG2 1.0 1.2 9.0 2663 1328 A 78 MET HG3 A 11 LYS HGx 1.0 1.2 9.0 2664 1328 A 78 MET HG3 A 11 LYS HGy 1.0 1.2 9.0 2665 1328 A 11 LYS HGx A 78 MET HG2 1.0 1.2 9.0 2666 1329 A 11 LYS HGy A 83 PRO HBy 1.0 0.7 8.5 2667 1329 A 11 LYS HGx A 83 PRO HBy 1.0 0.7 8.5 2668 1329 A 83 PRO HBx A 11 LYS HGx 1.0 0.7 8.5 2669 1329 A 83 PRO HBx A 11 LYS HGy 1.0 0.7 8.5 2670 1330 A 15 LYS HGy A 73 ARG HGx 1.0 1.2 9.0 2671 1330 A 15 LYS HGx A 73 ARG HGx 1.0 1.2 9.0 2672 1330 A 73 ARG HGy A 15 LYS HGy 1.0 1.2 9.0 2673 1330 A 15 LYS HGx A 73 ARG HGy 1.0 1.2 9.0 2674 1331 A 69 ALA H A 65 ASP HA 1.0 1.8 6.0 2675 1332 A 11 LYS H A 11 LYS HGx 1.0 0.3 7.5 2676 1332 A 11 LYS H A 11 LYS HGy 1.0 0.3 7.5 2677 1333 A 11 LYS H A 11 LYS HGx 1.0 0.3 7.5 2678 1333 A 11 LYS H A 11 LYS HGy 1.0 0.3 7.5 2679 1334 A 11 LYS HGx A 12 PRO HDx 1.0 0.7 8.5 2680 1334 A 11 LYS HGy A 12 PRO HDx 1.0 0.7 8.5 2681 1334 A 12 PRO HDy A 11 LYS HGx 1.0 0.7 8.5 2682 1334 A 12 PRO HDy A 11 LYS HGy 1.0 0.7 8.5 2683 1335 A 11 LYS HGx A 12 PRO HDx 1.0 0.7 8.5 2684 1335 A 11 LYS HGy A 12 PRO HDx 1.0 0.7 8.5 2685 1335 A 12 PRO HDy A 11 LYS HGx 1.0 0.7 8.5 2686 1335 A 12 PRO HDy A 11 LYS HGy 1.0 0.7 8.5 2687 1336 A 15 LYS HGx A 70 ASP HB2 1.0 0.7 8.5 2688 1336 A 15 LYS HGy A 70 ASP HB2 1.0 0.7 8.5 2689 1336 A 70 ASP HB3 A 15 LYS HGy 1.0 0.7 8.5 2690 1336 A 15 LYS HGx A 70 ASP HB3 1.0 0.7 8.5 2691 1337 A 15 LYS HGy A 73 ARG HDy 1.0 1.2 9.0 2692 1337 A 15 LYS HGx A 73 ARG HDy 1.0 1.2 9.0 2693 1337 A 73 ARG HDx A 15 LYS HGy 1.0 1.2 9.0 2694 1337 A 15 LYS HGx A 73 ARG HDx 1.0 1.2 9.0 2695 1338 A 65 ASP HA A 68 LYS HEx 1.0 0.3 7.5 2696 1338 A 65 ASP HA A 68 LYS HEy 1.0 0.3 7.5 2697 1339 A 11 LYS HEx A 11 LYS HGx 1.0 1.2 7.3 2698 1339 A 11 LYS HEy A 11 LYS HGx 1.0 1.2 7.3 2699 1339 A 11 LYS HGy A 11 LYS HEx 1.0 1.2 7.3 2700 1339 A 11 LYS HEy A 11 LYS HGy 1.0 1.2 7.3 2701 1340 A 11 LYS HEx A 11 LYS HGx 1.0 1.2 7.3 2702 1340 A 11 LYS HEy A 11 LYS HGx 1.0 1.2 7.3 2703 1340 A 11 LYS HGy A 11 LYS HEx 1.0 1.2 7.3 2704 1340 A 11 LYS HEy A 11 LYS HGy 1.0 1.2 7.3 2705 1341 A 65 ASP HA A 64 GLU HBx 1.0 0.8 7.0 2706 1341 A 64 GLU HBy A 65 ASP HA 1.0 0.8 7.0 2707 1342 A 65 ASP HA A 68 LYS HB2 1.0 0.8 5.3 2708 1342 A 68 LYS HB3 A 65 ASP HA 1.0 0.8 5.3 2709 1343 A 78 MET HE% A 11 LYS HGx 1.0 1.2 9.0 2710 1343 A 78 MET HE% A 11 LYS HGy 1.0 1.2 9.0 2711 1344 A 78 MET HE% A 11 LYS HGx 1.0 1.2 9.0 2712 1344 A 78 MET HE% A 11 LYS HGy 1.0 1.2 9.0 2713 1345 A 11 LYS HGx A 78 MET HB2 1.0 0.7 8.5 2714 1345 A 11 LYS HGy A 78 MET HB2 1.0 0.7 8.5 2715 1345 A 78 MET HB3 A 11 LYS HGx 1.0 0.7 8.5 2716 1345 A 78 MET HB3 A 11 LYS HGy 1.0 0.7 8.5 2717 1346 A 65 ASP HA A 68 LYS HD2 1.0 0.3 5.8 2718 1346 A 68 LYS HD3 A 65 ASP HA 1.0 0.3 5.8 2719 1347 A 11 LYS HD2 A 11 LYS HGx 1.0 1.2 6.4 2720 1347 A 11 LYS HD3 A 11 LYS HGx 1.0 1.2 6.4 2721 1347 A 11 LYS HGy A 11 LYS HD2 1.0 1.2 6.4 2722 1347 A 11 LYS HGy A 11 LYS HD3 1.0 1.2 6.4 2723 1348 A 82 ILE HA A 81 TYR HBx 1.0 0.8 7.0 2724 1348 A 81 TYR HBy A 82 ILE HA 1.0 0.8 7.0 2725 1349 A 33 LYS HA A 33 LYS HE2 1.0 0.3 7.5 2726 1349 A 33 LYS HE3 A 33 LYS HA 1.0 0.3 7.5 2727 1350 A 65 ASP HA A 64 GLU HBx 1.0 0.8 7.0 2728 1350 A 64 GLU HBy A 65 ASP HA 1.0 0.8 7.0 2729 1351 A 65 ASP HA A 68 LYS HGx 1.0 0.3 7.5 2730 1351 A 68 LYS HGy A 65 ASP HA 1.0 0.3 7.5 2731 1352 A 62 LYS H A 62 LYS HGx 1.0 0.3 7.5 2732 1352 A 62 LYS H A 62 LYS HGy 1.0 0.3 7.5 2733 1353 A 63 PHE H A 62 LYS HGx 1.0 0.3 7.5 2734 1353 A 63 PHE H A 62 LYS HGy 1.0 0.3 7.5 2735 1354 A 34 HIS HA A 33 LYS HA 1.0 1.8 6.0 2736 1355 A 63 PHE HA A 62 LYS HGx 1.0 0.3 7.5 2737 1355 A 62 LYS HGy A 63 PHE HA 1.0 0.3 7.5 2738 1356 A 33 LYS HA A 35 PRO HDx 1.0 0.8 7.0 2739 1356 A 35 PRO HDy A 33 LYS HA 1.0 0.8 7.0 2740 1357 A 82 ILE HA A 83 PRO HDx 1.0 0.8 4.4 2741 1357 A 83 PRO HDy A 82 ILE HA 1.0 0.8 4.4 2742 1358 A 82 ILE HA A 83 PRO HBy 1.0 0.8 7.0 2743 1358 A 83 PRO HBx A 82 ILE HA 1.0 0.8 7.0 2744 1359 A 85 LYS HA A 84 PRO HBy 1.0 0.8 7.0 2745 1359 A 84 PRO HBx A 85 LYS HA 1.0 0.8 7.0 2746 1360 A 62 LYS HGx A 66 MET HGx 1.0 1.2 9.0 2747 1360 A 62 LYS HGy A 66 MET HGx 1.0 1.2 9.0 2748 1360 A 66 MET HGy A 62 LYS HGx 1.0 1.2 9.0 2749 1360 A 66 MET HGy A 62 LYS HGy 1.0 1.2 9.0 2750 1361 A 82 ILE HA A 83 PRO HG2 1.0 0.8 7.0 2751 1361 A 82 ILE HA A 83 PRO HG3 1.0 0.8 7.0 2752 1362 A 66 MET HE% A 62 LYS HGx 1.0 1.2 7.3 2753 1362 A 66 MET HE% A 62 LYS HGy 1.0 1.2 7.3 2754 1363 A 82 ILE HA A 82 ILE HG1x 1.0 0.8 7.0 2755 1363 A 82 ILE HG1y A 82 ILE HA 1.0 0.8 7.0 2756 1364 A 52 TRP HH2 A 19 TYR H 1.0 1.3 6.5 2757 1365 A 52 TRP HH2 A 64 GLU HA 1.0 1.3 6.5 2758 1366 A 52 TRP HH2 A 18 SER HBx 1.0 0.3 5.8 2759 1366 A 18 SER HBy A 52 TRP HH2 1.0 0.3 5.8 2760 1367 A 52 TRP HH2 A 63 PHE HBy 1.0 0.3 7.5 2761 1367 A 52 TRP HH2 A 63 PHE HBx 1.0 0.3 7.5 2762 1368 A 52 TRP HH2 A 64 GLU HGx 1.0 0.2 8.0 2763 1368 A 64 GLU HGy A 52 TRP HH2 1.0 0.2 8.0 2764 1369 A 52 TRP HH2 A 64 GLU HGx 1.0 0.2 8.0 2765 1369 A 64 GLU HGy A 52 TRP HH2 1.0 0.2 8.0 2766 1370 A 52 TRP HH2 A 22 PHE HBy 1.0 0.3 7.5 2767 1370 A 22 PHE HBx A 52 TRP HH2 1.0 0.3 7.5 2768 1371 A 56 SER HA A 59 GLU HBx 1.0 0.8 7.0 2769 1371 A 59 GLU HBy A 56 SER HA 1.0 0.8 7.0 2770 1372 A 57 ALA HB% A 56 SER HA 1.0 0.3 7.5 2771 1373 A 33 LYS HA A 33 LYS HGx 1.0 0.3 5.8 2772 1373 A 33 LYS HGy A 33 LYS HA 1.0 0.3 5.8 2773 1374 A 23 VAL H A 23 VAL HGy% 1.0 0.3 5.8 2774 1375 A 86 GLY H A 85 LYS HA 1.0 1.8 4.3 2775 1376 A 23 VAL HGy% A 49 SER H 1.0 0.3 7.5 2776 1377 A 22 PHE H A 23 VAL HGy% 1.0 0.3 7.5 2777 1378 A 20 ALA H A 23 VAL HGy% 1.0 0.3 7.5 2778 1379 A 59 GLU H A 55 MET HA 1.0 1.8 6.0 2779 1380 A 22 PHE HE% A 23 VAL HGy% 1.0 2.1 9.9 2780 1381 A 54 THR H A 55 MET HA 1.0 1.8 6.0 2781 1382 A 24 GLN H A 23 VAL HGy% 1.0 0.3 7.5 2782 1383 A 22 PHE HD% A 23 VAL HGy% 1.0 2.1 8.2 2783 1384 A 19 TYR HD% A 23 VAL HGy% 1.0 2.1 9.9 2784 1385 A 16 MET HA A 15 LYS HA 1.0 1.8 6.0 2785 1386 A 23 VAL HGy% A 49 SER HA 1.0 0.3 7.5 2786 1387 A 24 GLN HA A 23 VAL HGy% 1.0 0.3 7.5 2787 1388 A 20 ALA HA A 23 VAL HGy% 1.0 0.3 5.8 2788 1389 A 23 VAL HGy% A 52 TRP HBx 1.0 0.7 8.5 2789 1389 A 52 TRP HBy A 23 VAL HGy% 1.0 0.7 8.5 2790 1390 A 23 VAL HGy% A 23 VAL HA 1.0 0.3 5.8 2791 1391 A 23 VAL HGy% A 22 PHE HBy 1.0 0.7 8.5 2792 1391 A 22 PHE HBx A 23 VAL HGy% 1.0 0.7 8.5 2793 1392 A 55 MET HA A 59 GLU HBx 1.0 0.8 7.0 2794 1392 A 59 GLU HBy A 55 MET HA 1.0 0.8 7.0 2795 1393 A 15 LYS HA A 16 MET HGx 1.0 0.3 7.5 2796 1393 A 16 MET HGy A 15 LYS HA 1.0 0.3 7.5 2797 1394 A 23 VAL HGy% A 22 PHE HBy 1.0 0.7 8.5 2798 1394 A 22 PHE HBx A 23 VAL HGy% 1.0 0.7 8.5 2799 1395 A 13 ARG HA A 13 ARG HB2 1.0 0.8 5.3 2800 1395 A 13 ARG HB3 A 13 ARG HA 1.0 0.8 5.3 2801 1396 A 15 LYS HA A 15 LYS HB2 1.0 0.8 4.4 2802 1396 A 15 LYS HB3 A 15 LYS HA 1.0 0.8 4.4 2803 1397 A 20 ALA HB% A 23 VAL HGy% 1.0 1.2 9.0 2804 1398 A 74 TYR HD% A 15 LYS HA 1.0 0.6 8.4 2805 1399 A 13 ARG HA A 13 ARG HDx 1.0 0.3 7.5 2806 1399 A 13 ARG HDy A 13 ARG HA 1.0 0.3 7.5 2807 1400 A 15 LYS HA A 74 TYR HBx 1.0 0.8 7.0 2808 1400 A 74 TYR HBy A 15 LYS HA 1.0 0.8 7.0 2809 1401 A 85 LYS HA A 85 LYS HB2 1.0 0.8 5.3 2810 1401 A 85 LYS HB3 A 85 LYS HA 1.0 0.8 5.3 2811 1402 A 15 LYS HA A 15 LYS HGy 1.0 0.3 7.5 2812 1402 A 15 LYS HGx A 15 LYS HA 1.0 0.3 7.5 2813 1403 A 10 LYS HA A 10 LYS HB2 1.0 0.8 4.4 2814 1403 A 10 LYS HA A 10 LYS HB3 1.0 0.8 4.4 2815 1404 A 10 LYS HA A 10 LYS HGx 1.0 0.3 5.8 2816 1404 A 10 LYS HA A 10 LYS HGy 1.0 0.3 5.8 2817 1405 A 56 SER HA A 57 ALA HA 1.0 1.8 6.0 2818 1406 A 60 LYS H A 57 ALA HA 1.0 1.8 4.3 2819 1407 A 61 GLY H A 57 ALA HA 1.0 1.8 6.0 2820 1408 A 57 ALA HA A 60 LYS HBx 1.0 0.8 5.3 2821 1408 A 60 LYS HBy A 57 ALA HA 1.0 0.8 5.3 2822 1409 A 57 ALA HA A 60 LYS HBx 1.0 0.8 7.0 2823 1409 A 60 LYS HBy A 57 ALA HA 1.0 0.8 7.0 2824 1410 A 57 ALA HA A 60 LYS HGy 1.0 0.3 7.5 2825 1410 A 60 LYS HGx A 57 ALA HA 1.0 0.3 7.5 2826 1411 A 57 ALA HA A 60 LYS HDy 1.0 0.3 7.5 2827 1411 A 60 LYS HDx A 57 ALA HA 1.0 0.3 7.5 2828 1412 A 57 ALA HA A 60 LYS HDy 1.0 0.3 7.5 2829 1412 A 60 LYS HDx A 57 ALA HA 1.0 0.3 7.5 2830 1413 A 57 ALA HA A 60 LYS HGy 1.0 0.3 7.5 2831 1413 A 60 LYS HGx A 57 ALA HA 1.0 0.3 7.5 2832 1414 A 20 ALA HA A 23 VAL H 1.0 1.8 4.3 2833 1415 A 27 ARG H A 25 THR HG2% 1.0 0.3 7.5 2834 1416 A 77 GLU H A 80 THR HG2% 1.0 0.3 7.5 2835 1417 A 52 TRP H A 54 THR HG2% 1.0 0.3 7.5 2836 1418 A 54 THR HG2% A 51 ARG H 1.0 0.3 7.5 2837 1419 A 25 THR HG2% A 63 PHE HE% 1.0 2.1 8.2 2838 1420 A 53 LYS H A 54 THR HG2% 1.0 0.3 7.5 2839 1421 A 25 THR H A 25 THR HG2% 1.0 0.3 7.5 2840 1422 A 81 TYR H A 80 THR HG2% 1.0 0.3 5.8 2841 1423 A 80 THR H A 80 THR HG2% 1.0 0.3 5.8 2842 1424 A 24 GLN H A 20 ALA HA 1.0 1.8 6.0 2843 1425 A 55 MET H A 54 THR HG2% 1.0 0.3 7.5 2844 1426 A 19 TYR HE% A 20 ALA HA 1.0 0.6 8.4 2845 1427 A 51 ARG HA A 54 THR HG2% 1.0 0.3 5.8 2846 1428 A 25 THR HG2% A 25 THR HA 1.0 0.3 5.8 2847 1429 A 54 THR HG2% A 51 ARG HDx 1.0 1.2 9.0 2848 1429 A 54 THR HG2% A 51 ARG HDy 1.0 1.2 9.0 2849 1430 A 19 TYR HA A 20 ALA HA 1.0 1.8 6.0 2850 1431 A 20 ALA HA A 23 VAL HA 1.0 1.8 6.0 2851 1432 A 25 THR HG2% A 62 LYS HE2 1.0 1.2 9.0 2852 1432 A 62 LYS HE3 A 25 THR HG2% 1.0 1.2 9.0 2853 1433 A 54 THR HG2% A 55 MET HG2 1.0 1.2 9.0 2854 1433 A 55 MET HG3 A 54 THR HG2% 1.0 1.2 9.0 2855 1434 A 25 THR HG2% A 28 GLU HGx 1.0 1.2 7.3 2856 1434 A 28 GLU HGy A 25 THR HG2% 1.0 1.2 7.3 2857 1435 A 20 ALA HA A 19 TYR HBx 1.0 0.8 7.0 2858 1435 A 19 TYR HBy A 20 ALA HA 1.0 0.8 7.0 2859 1436 A 54 THR HG2% A 50 GLU HBx 1.0 0.7 8.5 2860 1436 A 54 THR HG2% A 50 GLU HBy 1.0 0.7 8.5 2861 1437 A 80 THR HG2% A 77 GLU HGx 1.0 1.2 9.0 2862 1437 A 80 THR HG2% A 77 GLU HGy 1.0 1.2 9.0 2863 1438 A 25 THR HG2% A 28 GLU HBy 1.0 0.7 8.5 2864 1438 A 28 GLU HBx A 25 THR HG2% 1.0 0.7 8.5 2865 1439 A 20 ALA HA A 24 GLN HB2 1.0 0.8 7.0 2866 1439 A 20 ALA HA A 24 GLN HB3 1.0 0.8 7.0 2867 1440 A 54 THR HG2% A 53 LYS HB2 1.0 0.7 6.8 2868 1440 A 53 LYS HB3 A 54 THR HG2% 1.0 0.7 6.8 2869 1441 A 66 MET HE% A 25 THR HG2% 1.0 1.2 9.0 2870 1442 A 20 ALA HA A 23 VAL HB 1.0 1.8 4.3 2871 1443 A 54 THR HG2% A 53 LYS HGy 1.0 1.2 9.0 2872 1443 A 53 LYS HGx A 54 THR HG2% 1.0 1.2 9.0 2873 1444 A 80 THR HG2% A 79 LYS HG2 1.0 1.2 9.0 2874 1444 A 79 LYS HG3 A 80 THR HG2% 1.0 1.2 9.0 2875 1445 A 20 ALA HA A 23 VAL HGx% 1.0 0.3 7.5 2876 1446 A 23 VAL H A 23 VAL HGx% 1.0 0.3 7.5 2877 1447 A 72 ALA HA A 75 GLU H 1.0 1.8 6.0 2878 1448 A 52 TRP H A 52 TRP HE3 1.0 1.3 6.5 2879 1449 A 46 LYS H A 23 VAL HGx% 1.0 0.3 7.5 2880 1450 A 63 PHE HD% A 52 TRP HZ3 1.0 1.1 8.9 2881 1451 A 63 PHE HD% A 52 TRP HE3 1.0 1.1 8.9 2882 1452 A 23 VAL HGx% A 22 PHE HE% 1.0 2.1 9.9 2883 1453 A 52 TRP HZ3 A 63 PHE H 1.0 1.3 6.5 2884 1454 A 23 VAL HGx% A 41 PHE HE% 1.0 2.1 8.2 2885 1455 A 44 PHE HD% A 23 VAL HGx% 1.0 2.1 9.9 2886 1456 A 19 TYR HE% A 23 VAL HGx% 1.0 2.1 9.9 2887 1457 A 19 TYR HD% A 52 TRP HE3 1.0 1.1 8.9 2888 1458 A 19 TYR HD% A 23 VAL HGx% 1.0 2.1 9.9 2889 1459 A 23 VAL HGx% A 48 CYS HA 1.0 0.3 7.5 2890 1460 A 16 MET HA A 17 SER HBy 1.0 0.8 7.0 2891 1460 A 17 SER HBx A 16 MET HA 1.0 0.8 7.0 2892 1461 A 24 GLN HA A 23 VAL HGx% 1.0 0.3 7.5 2893 1462 A 23 VAL HGx% A 45 SER HBx 1.0 0.7 8.5 2894 1462 A 45 SER HBy A 23 VAL HGx% 1.0 0.7 8.5 2895 1463 A 52 TRP HZ3 A 63 PHE HBy 1.0 0.3 7.5 2896 1463 A 52 TRP HZ3 A 63 PHE HBx 1.0 0.3 7.5 2897 1464 A 52 TRP HE3 A 52 TRP HBx 1.0 0.3 7.5 2898 1464 A 52 TRP HBy A 52 TRP HE3 1.0 0.3 7.5 2899 1465 A 48 CYS HBx A 23 VAL HGx% 1.0 0.3 7.5 2900 1466 A 19 TYR HA A 52 TRP HZ3 1.0 1.3 6.5 2901 1467 A 23 VAL HGx% A 23 VAL HA 1.0 0.3 5.8 2902 1468 A 72 ALA HA A 75 GLU HGx 1.0 0.3 7.5 2903 1468 A 72 ALA HA A 75 GLU HGy 1.0 0.3 7.5 2904 1469 A 72 ALA HA A 75 GLU HGx 1.0 0.3 7.5 2905 1469 A 72 ALA HA A 75 GLU HGy 1.0 0.3 7.5 2906 1470 A 52 TRP HE3 A 22 PHE HBy 1.0 0.3 7.5 2907 1470 A 22 PHE HBx A 52 TRP HE3 1.0 0.3 7.5 2908 1471 A 52 TRP HZ3 A 22 PHE HBy 1.0 0.3 7.5 2909 1471 A 52 TRP HZ3 A 22 PHE HBx 1.0 0.3 7.5 2910 1472 A 23 VAL HGx% A 24 GLN HB2 1.0 0.7 8.5 2911 1472 A 23 VAL HGx% A 24 GLN HB3 1.0 0.7 8.5 2912 1473 A 72 ALA HA A 75 GLU HBx 1.0 0.8 5.3 2913 1473 A 72 ALA HA A 75 GLU HBy 1.0 0.8 5.3 2914 1474 A 16 MET HA A 16 MET HGx 1.0 0.3 5.8 2915 1474 A 16 MET HGy A 16 MET HA 1.0 0.3 5.8 2916 1475 A 52 TRP HE3 A 22 PHE HBy 1.0 0.3 7.5 2917 1475 A 22 PHE HBx A 52 TRP HE3 1.0 0.3 7.5 2918 1476 A 23 VAL HGx% A 27 ARG HB2 1.0 0.7 8.5 2919 1476 A 27 ARG HB3 A 23 VAL HGx% 1.0 0.7 8.5 2920 1477 A 52 TRP HE3 A 55 MET HBx 1.0 0.3 7.5 2921 1477 A 55 MET HBy A 52 TRP HE3 1.0 0.3 7.5 2922 1478 A 23 VAL HGx% A 27 ARG HGy 1.0 1.2 9.0 2923 1478 A 27 ARG HGx A 23 VAL HGx% 1.0 1.2 9.0 2924 1479 A 52 TRP HZ3 A 60 LYS HGy 1.0 0.2 8.0 2925 1479 A 60 LYS HGx A 52 TRP HZ3 1.0 0.2 8.0 2926 1480 A 52 TRP HE3 A 60 LYS HGy 1.0 0.2 8.0 2927 1480 A 60 LYS HGx A 52 TRP HE3 1.0 0.2 8.0 2928 1481 A 39 VAL H A 39 VAL HGy% 1.0 0.3 5.8 2929 1482 A 39 VAL HGy% A 30 HIS HE1 1.0 0.2 8.0 2930 1483 A 39 VAL HGy% A 44 PHE HE% 1.0 2.1 9.9 2931 1484 A 39 VAL HGy% A 44 PHE HZ 1.0 0.2 8.0 2932 1485 A 44 PHE HD% A 39 VAL HGy% 1.0 2.1 9.9 2933 1486 A 39 VAL HGy% A 38 SER HA 1.0 0.3 7.5 2934 1487 A 39 VAL HA A 39 VAL HGy% 1.0 0.3 5.8 2935 1488 A 11 LYS HA A 12 PRO HDx 1.0 0.8 5.3 2936 1488 A 11 LYS HA A 12 PRO HDy 1.0 0.8 5.3 2937 1489 A 39 VAL HGy% A 44 PHE HBx 1.0 0.7 8.5 2938 1489 A 44 PHE HBy A 39 VAL HGy% 1.0 0.7 8.5 2939 1490 A 11 LYS HA A 12 PRO HDx 1.0 0.8 5.3 2940 1490 A 11 LYS HA A 12 PRO HDy 1.0 0.8 5.3 2941 1491 A 39 VAL HGy% A 44 PHE HBx 1.0 0.7 8.5 2942 1491 A 44 PHE HBy A 39 VAL HGy% 1.0 0.7 8.5 2943 1492 A 39 VAL HGy% A 43 GLU HGy 1.0 1.2 9.0 2944 1492 A 39 VAL HGy% A 43 GLU HGx 1.0 1.2 9.0 2945 1493 A 11 LYS HA A 9 PRO HBy 1.0 0.8 7.0 2946 1493 A 9 PRO HBx A 11 LYS HA 1.0 0.8 7.0 2947 1494 A 11 LYS HA A 10 LYS HB2 1.0 0.8 7.0 2948 1494 A 10 LYS HB3 A 11 LYS HA 1.0 0.8 7.0 2949 1495 A 39 VAL HGy% A 37 ALA HB% 1.0 1.2 7.3 2950 1496 A 11 LYS HA A 11 LYS HGx 1.0 0.3 7.5 2951 1496 A 11 LYS HA A 11 LYS HGy 1.0 0.3 7.5 2952 1497 A 11 LYS HA A 11 LYS HGx 1.0 0.3 5.8 2953 1497 A 11 LYS HA A 11 LYS HGy 1.0 0.3 5.8 2954 1498 A 34 HIS H A 34 HIS HD2 1.0 1.3 6.5 2955 1499 A 33 LYS H A 34 HIS HD2 1.0 1.3 6.5 2956 1500 A 34 HIS HA A 34 HIS HD2 1.0 1.3 6.5 2957 1501 A 11 LYS HA A 12 PRO HA 1.0 1.8 6.0 2958 1502 A 30 HIS HA A 34 HIS HD2 1.0 1.3 4.8 2959 1503 A 31 LYS HA A 34 HIS HD2 1.0 1.3 6.5 2960 1504 A 33 LYS HA A 34 HIS HD2 1.0 1.3 6.5 2961 1505 A 34 HIS HD2 A 34 HIS HBx 1.0 0.3 5.8 2962 1505 A 34 HIS HBy A 34 HIS HD2 1.0 0.3 5.8 2963 1506 A 34 HIS HD2 A 33 LYS HBx 1.0 0.3 7.5 2964 1506 A 33 LYS HBy A 34 HIS HD2 1.0 0.3 7.5 2965 1507 A 34 HIS HD2 A 33 LYS HBx 1.0 0.3 5.8 2966 1507 A 33 LYS HBy A 34 HIS HD2 1.0 0.3 5.8 2967 1508 A 34 HIS HD2 A 33 LYS HGx 1.0 0.2 8.0 2968 1508 A 33 LYS HGy A 34 HIS HD2 1.0 0.2 8.0 2969 1509 A 39 VAL HGx% A 38 SER H 1.0 0.3 7.5 2970 1510 A 40 ASN H A 39 VAL HGx% 1.0 0.3 7.5 2971 1511 A 39 VAL HGx% A 39 VAL H 1.0 0.3 5.8 2972 1512 A 39 VAL HGx% A 30 HIS HE1 1.0 0.2 8.0 2973 1513 A 39 VAL HGx% A 44 PHE HE% 1.0 2.1 9.9 2974 1514 A 39 VAL HGx% A 30 HIS HD2 1.0 0.2 8.0 2975 1515 A 39 VAL HGx% A 37 ALA HA 1.0 0.3 7.5 2976 1516 A 39 VAL HGx% A 44 PHE HBx 1.0 0.7 8.5 2977 1516 A 44 PHE HBy A 39 VAL HGx% 1.0 0.7 8.5 2978 1517 A 39 VAL HGx% A 43 GLU HGy 1.0 1.2 9.0 2979 1517 A 39 VAL HGx% A 43 GLU HGx 1.0 1.2 9.0 2980 1518 A 39 VAL HGx% A 37 ALA HB% 1.0 1.2 7.3 2981 1519 A 39 VAL HGx% A 44 PHE HD% 1.0 2.1 9.9 2982 1520 A 37 ALA H A 37 ALA HB% 1.0 0.3 5.8 2983 1521 A 37 ALA HB% A 30 HIS HE1 1.0 0.2 8.0 2984 1522 A 37 ALA HB% A 34 HIS HBx 1.0 0.7 6.8 2985 1522 A 34 HIS HBy A 37 ALA HB% 1.0 0.7 6.8 2986 1523 A 34 HIS HA A 37 ALA HB% 1.0 0.3 7.5 2987 1524 A 37 ALA HB% A 34 HIS HBx 1.0 0.7 6.8 2988 1524 A 34 HIS HBy A 37 ALA HB% 1.0 0.7 6.8 2989 1525 A 37 ALA HB% A 39 VAL HB 1.0 0.3 7.5 2990 1526 A 37 ALA HB% A 31 LYS HBx 1.0 0.7 8.5 2991 1526 A 37 ALA HB% A 31 LYS HBy 1.0 0.7 8.5 2992 1527 A 30 HIS HD2 A 30 HIS H 1.0 1.3 6.5 2993 1528 A 37 ALA H A 30 HIS HD2 1.0 1.3 6.5 2994 1529 A 30 HIS HD2 A 30 HIS HA 1.0 1.3 6.5 2995 1530 A 30 HIS HD2 A 31 LYS HA 1.0 1.3 6.5 2996 1531 A 30 HIS HD2 A 30 HIS HBx 1.0 0.3 5.8 2997 1531 A 30 HIS HD2 A 30 HIS HBy 1.0 0.3 5.8 2998 1532 A 30 HIS HD2 A 31 LYS HBx 1.0 0.3 7.5 2999 1532 A 30 HIS HD2 A 31 LYS HBy 1.0 0.3 7.5 3000 1533 A 30 HIS HD2 A 27 ARG HGy 1.0 0.2 8.0 3001 1533 A 27 ARG HGx A 30 HIS HD2 1.0 0.2 8.0 3002 1534 A 37 ALA HB% A 30 HIS HD2 1.0 0.2 8.0 3003 1535 A 39 VAL HGy% A 30 HIS HD2 1.0 0.2 8.0 3004 1536 A 37 ALA HA A 38 SER HBx 1.0 0.8 7.0 3005 1536 A 38 SER HBy A 37 ALA HA 1.0 0.8 7.0 3006 1537 A 37 ALA HA A 36 ASP HBx 1.0 0.8 7.0 3007 1537 A 36 ASP HBy A 37 ALA HA 1.0 0.8 7.0 3008 1538 A 67 ALA HB% A 66 MET HBx 1.0 0.7 8.5 3009 1538 A 67 ALA HB% A 66 MET HBy 1.0 0.7 8.5 3010 1539 A 68 LYS H A 67 ALA HB% 1.0 0.3 5.8 3011 1540 A 70 ASP H A 67 ALA HB% 1.0 0.3 7.5 3012 1541 A 67 ALA HB% A 21 PHE H 1.0 0.3 7.5 3013 1542 A 67 ALA HB% A 71 LYS H 1.0 0.3 7.5 3014 1543 A 67 ALA H A 67 ALA HB% 1.0 0.3 4.9 3015 1544 A 21 PHE HE% A 67 ALA HB% 1.0 2.1 8.2 3016 1545 A 21 PHE HZ A 67 ALA HB% 1.0 0.2 8.0 3017 1546 A 67 ALA HB% A 17 SER HA 1.0 0.3 5.8 3018 1547 A 67 ALA HB% A 66 MET HA 1.0 0.3 7.5 3019 1548 A 67 ALA HB% A 21 PHE HBx 1.0 0.7 8.5 3020 1548 A 21 PHE HBy A 67 ALA HB% 1.0 0.7 8.5 3021 1549 A 67 ALA HB% A 21 PHE HBx 1.0 0.7 8.5 3022 1549 A 21 PHE HBy A 67 ALA HB% 1.0 0.7 8.5 3023 1550 A 67 ALA HB% A 70 ASP HB2 1.0 0.7 8.5 3024 1550 A 70 ASP HB3 A 67 ALA HB% 1.0 0.7 8.5 3025 1551 A 67 ALA HB% A 15 LYS HEy 1.0 1.2 9.0 3026 1551 A 67 ALA HB% A 15 LYS HEx 1.0 1.2 9.0 3027 1552 A 67 ALA HB% A 64 GLU HGx 1.0 1.2 9.0 3028 1552 A 64 GLU HGy A 67 ALA HB% 1.0 1.2 9.0 3029 1553 A 67 ALA HB% A 64 GLU HBx 1.0 0.7 8.5 3030 1553 A 64 GLU HBy A 67 ALA HB% 1.0 0.7 8.5 3031 1554 A 20 ALA HB% A 23 VAL HGx% 1.0 1.2 9.0 3032 1555 A 20 ALA HB% A 23 VAL H 1.0 0.3 7.5 3033 1556 A 74 TYR H A 74 TYR HE% 1.0 0.6 8.4 3034 1557 A 17 SER H A 20 ALA HB% 1.0 0.3 5.8 3035 1558 A 20 ALA HB% A 21 PHE HD% 1.0 2.1 9.9 3036 1559 A 20 ALA HB% A 17 SER HA 1.0 0.3 7.5 3037 1560 A 20 ALA HB% A 16 MET HA 1.0 0.3 5.8 3038 1561 A 20 ALA HB% A 17 SER HBy 1.0 0.7 8.5 3039 1561 A 20 ALA HB% A 17 SER HBx 1.0 0.7 8.5 3040 1562 A 20 ALA HB% A 21 PHE HA 1.0 0.3 7.5 3041 1563 A 20 ALA HB% A 21 PHE HBx 1.0 0.7 8.5 3042 1563 A 21 PHE HBy A 20 ALA HB% 1.0 0.7 8.5 3043 1564 A 19 TYR HA A 20 ALA HB% 1.0 0.3 7.5 3044 1565 A 20 ALA HB% A 19 TYR HBx 1.0 0.7 8.5 3045 1565 A 19 TYR HBy A 20 ALA HB% 1.0 0.7 8.5 3046 1566 A 57 ALA HB% A 58 LYS HBx 1.0 0.7 8.5 3047 1566 A 57 ALA HB% A 58 LYS HBy 1.0 0.7 8.5 3048 1567 A 20 ALA HB% A 16 MET HBx 1.0 0.7 8.5 3049 1567 A 20 ALA HB% A 16 MET HBy 1.0 0.7 8.5 3050 1568 A 74 TYR HE% A 15 LYS HGy 1.0 2.1 9.9 3051 1568 A 15 LYS HGx A 74 TYR HE% 1.0 2.1 9.9 3052 1569 A 68 LYS H A 69 ALA HB% 1.0 0.3 7.5 3053 1570 A 75 GLU H A 74 TYR HE% 1.0 0.6 8.4 3054 1571 A 70 ASP H A 69 ALA HB% 1.0 0.3 5.8 3055 1572 A 69 ALA H A 69 ALA HB% 1.0 0.3 4.9 3056 1573 A 57 ALA HB% A 59 GLU H 1.0 0.3 7.5 3057 1574 A 15 LYS H A 74 TYR HE% 1.0 0.6 8.4 3058 1575 A 70 ASP HA A 69 ALA HB% 1.0 0.3 7.5 3059 1576 A 70 ASP HA A 72 ALA HB% 1.0 0.3 7.5 3060 1577 A 74 TYR HE% A 14 GLY HAx 1.0 1.6 7.7 3061 1577 A 14 GLY HAy A 74 TYR HE% 1.0 1.6 7.7 3062 1578 A 66 MET HA A 69 ALA HB% 1.0 0.3 5.8 3063 1579 A 74 TYR HE% A 14 GLY HAx 1.0 1.6 9.4 3064 1579 A 14 GLY HAy A 74 TYR HE% 1.0 1.6 9.4 3065 1580 A 69 ALA HB% A 70 ASP HB2 1.0 0.7 8.5 3066 1580 A 70 ASP HB3 A 69 ALA HB% 1.0 0.7 8.5 3067 1581 A 74 TYR HE% A 75 GLU HGx 1.0 2.1 9.9 3068 1581 A 74 TYR HE% A 75 GLU HGy 1.0 2.1 9.9 3069 1582 A 74 TYR HE% A 15 LYS HEy 1.0 2.1 9.9 3070 1582 A 15 LYS HEx A 74 TYR HE% 1.0 2.1 9.9 3071 1583 A 74 TYR HE% A 75 GLU HGx 1.0 2.1 9.9 3072 1583 A 74 TYR HE% A 75 GLU HGy 1.0 2.1 9.9 3073 1584 A 74 TYR HE% A 71 LYS HBx 1.0 1.6 7.7 3074 1584 A 71 LYS HBy A 74 TYR HE% 1.0 1.6 7.7 3075 1585 A 74 TYR HE% A 71 LYS HD2 1.0 2.1 9.9 3076 1585 A 71 LYS HD3 A 74 TYR HE% 1.0 2.1 9.9 3077 1586 A 74 TYR HE% A 73 ARG HGx 1.0 2.1 9.9 3078 1586 A 73 ARG HGy A 74 TYR HE% 1.0 2.1 9.9 3079 1587 A 74 TYR HE% A 15 LYS HGy 1.0 2.1 9.9 3080 1587 A 15 LYS HGx A 74 TYR HE% 1.0 2.1 9.9 3081 1588 A 8 ASP H A 9 PRO HDx 1.0 0.8 7.0 3082 1588 A 8 ASP H A 9 PRO HDy 1.0 0.8 7.0 3083 1589 A 8 ASP H A 9 PRO HDx 1.0 0.8 7.0 3084 1589 A 8 ASP H A 9 PRO HDy 1.0 0.8 7.0 3085 1590 A 11 LYS H A 12 PRO HDx 1.0 0.8 7.0 3086 1590 A 11 LYS H A 12 PRO HDy 1.0 0.8 7.0 3087 1591 A 81 TYR HD% A 12 PRO HDx 1.0 1.6 9.4 3088 1591 A 81 TYR HD% A 12 PRO HDy 1.0 1.6 9.4 3089 1592 A 81 TYR HE% A 12 PRO HDx 1.0 1.6 9.4 3090 1592 A 81 TYR HE% A 12 PRO HDy 1.0 1.6 9.4 3091 1593 A 78 MET HA A 12 PRO HDx 1.0 0.8 7.0 3092 1593 A 78 MET HA A 12 PRO HDy 1.0 0.8 7.0 3093 1594 A 12 PRO HDy A 81 TYR HBx 1.0 0.2 8.0 3094 1594 A 12 PRO HDx A 81 TYR HBx 1.0 0.2 8.0 3095 1594 A 81 TYR HBy A 12 PRO HDx 1.0 0.2 8.0 3096 1594 A 81 TYR HBy A 12 PRO HDy 1.0 0.2 8.0 3097 1595 A 78 MET HE% A 12 PRO HDx 1.0 0.7 8.5 3098 1595 A 78 MET HE% A 12 PRO HDy 1.0 0.7 8.5 3099 1596 A 11 LYS HGx A 12 PRO HDx 1.0 0.7 8.5 3100 1596 A 11 LYS HGy A 12 PRO HDx 1.0 0.7 8.5 3101 1596 A 12 PRO HDy A 11 LYS HGx 1.0 0.7 8.5 3102 1596 A 12 PRO HDy A 11 LYS HGy 1.0 0.7 8.5 3103 1597 A 11 LYS HGx A 12 PRO HDx 1.0 0.7 8.5 3104 1597 A 11 LYS HGy A 12 PRO HDx 1.0 0.7 8.5 3105 1597 A 12 PRO HDy A 11 LYS HGx 1.0 0.7 8.5 3106 1597 A 12 PRO HDy A 11 LYS HGy 1.0 0.7 8.5 3107 1598 A 85 LYS H A 84 PRO HDx 1.0 0.8 7.0 3108 1598 A 85 LYS H A 84 PRO HDy 1.0 0.8 7.0 3109 1599 A 10 LYS H A 81 TYR HE% 1.0 0.6 8.4 3110 1600 A 11 LYS H A 81 TYR HE% 1.0 0.6 8.4 3111 1601 A 11 LYS H A 12 PRO HDx 1.0 0.8 7.0 3112 1601 A 11 LYS H A 12 PRO HDy 1.0 0.8 7.0 3113 1602 A 19 TYR HE% A 53 LYS H 1.0 0.6 8.4 3114 1603 A 19 TYR HE% A 22 PHE HE% 1.0 3.0 10.8 3115 1604 A 19 TYR HE% A 22 PHE HZ 1.0 1.1 8.9 3116 1605 A 81 TYR HD% A 83 PRO HDx 1.0 1.6 9.4 3117 1605 A 81 TYR HD% A 83 PRO HDy 1.0 1.6 9.4 3118 1606 A 81 TYR HE% A 83 PRO HDx 1.0 1.6 9.4 3119 1606 A 81 TYR HE% A 83 PRO HDy 1.0 1.6 9.4 3120 1607 A 81 TYR HE% A 84 PRO HDx 1.0 1.6 9.4 3121 1607 A 81 TYR HE% A 84 PRO HDy 1.0 1.6 9.4 3122 1608 A 81 TYR HE% A 84 PRO HDx 1.0 1.6 9.4 3123 1608 A 81 TYR HE% A 84 PRO HDy 1.0 1.6 9.4 3124 1609 A 78 MET HA A 12 PRO HDx 1.0 0.8 7.0 3125 1609 A 78 MET HA A 12 PRO HDy 1.0 0.8 7.0 3126 1610 A 19 TYR HE% A 49 SER HBx 1.0 1.6 7.7 3127 1610 A 19 TYR HE% A 49 SER HBy 1.0 1.6 7.7 3128 1611 A 81 TYR HE% A 83 PRO HA 1.0 0.6 6.7 3129 1612 A 83 PRO HA A 84 PRO HDx 1.0 0.8 4.4 3130 1612 A 84 PRO HDy A 83 PRO HA 1.0 0.8 4.4 3131 1613 A 83 PRO HA A 84 PRO HDx 1.0 0.8 5.3 3132 1613 A 84 PRO HDy A 83 PRO HA 1.0 0.8 5.3 3133 1614 A 82 ILE HA A 83 PRO HDx 1.0 0.8 5.3 3134 1614 A 83 PRO HDy A 82 ILE HA 1.0 0.8 5.3 3135 1615 A 19 TYR HE% A 49 SER HA 1.0 0.6 8.4 3136 1616 A 81 TYR HE% A 11 LYS HA 1.0 0.6 6.7 3137 1617 A 81 TYR HE% A 83 PRO HDx 1.0 1.6 9.4 3138 1617 A 81 TYR HE% A 83 PRO HDy 1.0 1.6 9.4 3139 1618 A 19 TYR HE% A 52 TRP HBx 1.0 1.6 7.7 3140 1618 A 19 TYR HE% A 52 TRP HBy 1.0 1.6 7.7 3141 1619 A 81 TYR HE% A 12 PRO HDx 1.0 1.6 9.4 3142 1619 A 81 TYR HE% A 12 PRO HDy 1.0 1.6 9.4 3143 1620 A 19 TYR HE% A 19 TYR HA 1.0 0.6 8.4 3144 1621 A 19 TYR HE% A 23 VAL HA 1.0 0.6 8.4 3145 1622 A 12 PRO HDy A 78 MET HG2 1.0 0.7 8.5 3146 1622 A 12 PRO HDx A 78 MET HG2 1.0 0.7 8.5 3147 1622 A 78 MET HG3 A 12 PRO HDx 1.0 0.7 8.5 3148 1622 A 12 PRO HDy A 78 MET HG3 1.0 0.7 8.5 3149 1623 A 81 TYR HE% A 83 PRO HBy 1.0 1.6 7.7 3150 1623 A 81 TYR HE% A 83 PRO HBx 1.0 1.6 7.7 3151 1624 A 83 PRO HBx A 84 PRO HDx 1.0 0.2 8.0 3152 1624 A 83 PRO HBy A 84 PRO HDx 1.0 0.2 8.0 3153 1624 A 84 PRO HDy A 83 PRO HBy 1.0 0.2 8.0 3154 1624 A 83 PRO HBx A 84 PRO HDy 1.0 0.2 8.0 3155 1625 A 81 TYR HE% A 9 PRO HBy 1.0 1.6 9.4 3156 1625 A 9 PRO HBx A 81 TYR HE% 1.0 1.6 9.4 3157 1626 A 12 PRO HDx A 78 MET HB2 1.0 0.2 8.0 3158 1626 A 78 MET HB3 A 12 PRO HDx 1.0 0.2 8.0 3159 1626 A 78 MET HB3 A 12 PRO HDy 1.0 0.2 8.0 3160 1626 A 12 PRO HDy A 78 MET HB2 1.0 0.2 8.0 3161 1627 A 11 LYS HBx A 83 PRO HDx 1.0 0.2 8.0 3162 1627 A 11 LYS HBy A 83 PRO HDx 1.0 0.2 8.0 3163 1627 A 83 PRO HDy A 11 LYS HBx 1.0 0.2 8.0 3164 1627 A 11 LYS HBy A 83 PRO HDy 1.0 0.2 8.0 3165 1628 A 11 LYS HD2 A 83 PRO HDx 1.0 0.7 8.5 3166 1628 A 11 LYS HD3 A 83 PRO HDx 1.0 0.7 8.5 3167 1628 A 83 PRO HDy A 11 LYS HD2 1.0 0.7 8.5 3168 1628 A 83 PRO HDy A 11 LYS HD3 1.0 0.7 8.5 3169 1629 A 81 TYR HE% A 11 LYS HBx 1.0 1.6 7.7 3170 1629 A 11 LYS HBy A 81 TYR HE% 1.0 1.6 7.7 3171 1630 A 82 ILE HB A 83 PRO HDx 1.0 0.8 7.0 3172 1630 A 83 PRO HDy A 82 ILE HB 1.0 0.8 7.0 3173 1631 A 19 TYR HE% A 23 VAL HB 1.0 0.6 8.4 3174 1632 A 81 TYR HE% A 11 LYS HGx 1.0 2.1 9.9 3175 1632 A 81 TYR HE% A 11 LYS HGy 1.0 2.1 9.9 3176 1633 A 19 TYR HE% A 20 ALA HB% 1.0 2.1 9.9 3177 1634 A 81 TYR HE% A 11 LYS HGx 1.0 2.1 9.9 3178 1634 A 81 TYR HE% A 11 LYS HGy 1.0 2.1 9.9 3179 1635 A 11 LYS HGy A 83 PRO HDx 1.0 0.7 8.5 3180 1635 A 11 LYS HGx A 83 PRO HDx 1.0 0.7 8.5 3181 1635 A 83 PRO HDy A 11 LYS HGx 1.0 0.7 8.5 3182 1635 A 83 PRO HDy A 11 LYS HGy 1.0 0.7 8.5 3183 1636 A 11 LYS HGy A 83 PRO HDx 1.0 0.7 8.5 3184 1636 A 11 LYS HGx A 83 PRO HDx 1.0 0.7 8.5 3185 1636 A 83 PRO HDy A 11 LYS HGx 1.0 0.7 8.5 3186 1636 A 83 PRO HDy A 11 LYS HGy 1.0 0.7 8.5 3187 1637 A 82 ILE HG2% A 83 PRO HDx 1.0 0.7 6.8 3188 1637 A 83 PRO HDy A 82 ILE HG2% 1.0 0.7 6.8 3189 1638 A 19 TYR HE% A 23 VAL HGy% 1.0 2.1 8.2 3190 1639 A 82 ILE H A 82 ILE HG2% 1.0 0.3 7.5 3191 1640 A 34 HIS H A 35 PRO HDx 1.0 0.8 7.0 3192 1640 A 35 PRO HDy A 34 HIS H 1.0 0.8 7.0 3193 1641 A 81 TYR HD% A 82 ILE HG2% 1.0 2.1 9.9 3194 1642 A 82 ILE HA A 82 ILE HG2% 1.0 0.3 5.8 3195 1643 A 82 ILE HG2% A 83 PRO HDx 1.0 0.7 6.8 3196 1643 A 83 PRO HDy A 82 ILE HG2% 1.0 0.7 6.8 3197 1644 A 11 LYS HEx A 83 PRO HDx 1.0 0.7 8.5 3198 1644 A 11 LYS HEy A 83 PRO HDx 1.0 0.7 8.5 3199 1644 A 83 PRO HDy A 11 LYS HEx 1.0 0.7 8.5 3200 1644 A 83 PRO HDy A 11 LYS HEy 1.0 0.7 8.5 3201 1645 A 82 ILE HG2% A 11 LYS HEx 1.0 1.2 9.0 3202 1645 A 11 LYS HEy A 82 ILE HG2% 1.0 1.2 9.0 3203 1646 A 82 ILE HG2% A 83 PRO HBy 1.0 0.7 8.5 3204 1646 A 83 PRO HBx A 82 ILE HG2% 1.0 0.7 8.5 3205 1647 A 82 ILE HG2% A 83 PRO HG2 1.0 0.7 8.5 3206 1647 A 82 ILE HG2% A 83 PRO HG3 1.0 0.7 8.5 3207 1648 A 82 ILE HG1y A 83 PRO HDx 1.0 0.2 8.0 3208 1648 A 82 ILE HG1x A 83 PRO HDx 1.0 0.2 8.0 3209 1648 A 83 PRO HDy A 82 ILE HG1x 1.0 0.2 8.0 3210 1648 A 83 PRO HDy A 82 ILE HG1y 1.0 0.2 8.0 3211 1649 A 82 ILE HG2% A 82 ILE HG1x 1.0 0.7 6.8 3212 1649 A 82 ILE HG1y A 82 ILE HG2% 1.0 0.7 6.8 3213 1650 A 82 ILE HG2% A 82 ILE HG1x 1.0 0.7 6.8 3214 1650 A 82 ILE HG1y A 82 ILE HG2% 1.0 0.7 6.8 3215 1651 A 56 SER H A 55 MET HE% 1.0 0.3 7.5 3216 1652 A 60 LYS H A 55 MET HE% 1.0 0.3 5.8 3217 1653 A 55 MET HE% A 63 PHE HE% 1.0 2.1 7.3 3218 1654 A 33 LYS H A 35 PRO HDx 1.0 0.8 7.0 3219 1654 A 35 PRO HDy A 33 LYS H 1.0 0.8 7.0 3220 1655 A 55 MET HE% A 22 PHE HE% 1.0 2.1 8.2 3221 1656 A 52 TRP HH2 A 55 MET HE% 1.0 0.2 8.0 3222 1657 A 55 MET H A 55 MET HE% 1.0 0.3 7.5 3223 1658 A 52 TRP HZ3 A 55 MET HE% 1.0 0.2 6.3 3224 1659 A 55 MET HE% A 52 TRP HE3 1.0 0.2 6.3 3225 1660 A 34 HIS HA A 35 PRO HDx 1.0 0.8 5.3 3226 1660 A 34 HIS HA A 35 PRO HDy 1.0 0.8 5.3 3227 1661 A 34 HIS HA A 35 PRO HDx 1.0 0.8 5.3 3228 1661 A 34 HIS HA A 35 PRO HDy 1.0 0.8 5.3 3229 1662 A 55 MET HE% A 60 LYS HA 1.0 0.3 5.8 3230 1663 A 33 LYS HA A 35 PRO HDx 1.0 0.8 7.0 3231 1663 A 35 PRO HDy A 33 LYS HA 1.0 0.8 7.0 3232 1664 A 55 MET HE% A 52 TRP HBx 1.0 0.7 8.5 3233 1664 A 52 TRP HBy A 55 MET HE% 1.0 0.7 8.5 3234 1665 A 55 MET HE% A 55 MET HG2 1.0 1.2 7.3 3235 1665 A 55 MET HG3 A 55 MET HE% 1.0 1.2 7.3 3236 1666 A 55 MET HE% A 59 GLU HBx 1.0 0.7 6.8 3237 1666 A 59 GLU HBy A 55 MET HE% 1.0 0.7 6.8 3238 1667 A 55 MET HE% A 60 LYS HGy 1.0 1.2 7.3 3239 1667 A 60 LYS HGx A 55 MET HE% 1.0 1.2 7.3 3240 1668 A 55 MET HE% A 60 LYS HGy 1.0 1.2 7.3 3241 1668 A 60 LYS HGx A 55 MET HE% 1.0 1.2 7.3 3242 1669 A 78 MET H A 78 MET HE% 1.0 0.3 7.5 3243 1670 A 81 TYR H A 78 MET HE% 1.0 0.3 7.5 3244 1671 A 81 TYR HD% A 78 MET HE% 1.0 2.1 8.2 3245 1672 A 81 TYR HE% A 78 MET HE% 1.0 2.1 9.9 3246 1673 A 78 MET HA A 78 MET HE% 1.0 0.3 5.8 3247 1674 A 79 LYS HA A 78 MET HE% 1.0 0.3 7.5 3248 1675 A 78 MET HE% A 11 LYS HA 1.0 0.3 7.5 3249 1676 A 78 MET HE% A 83 PRO HDx 1.0 0.7 8.5 3250 1676 A 83 PRO HDy A 78 MET HE% 1.0 0.7 8.5 3251 1677 A 78 MET HE% A 12 PRO HDx 1.0 0.7 8.5 3252 1677 A 78 MET HE% A 12 PRO HDy 1.0 0.7 8.5 3253 1678 A 78 MET HE% A 11 LYS HEx 1.0 1.2 7.3 3254 1678 A 78 MET HE% A 11 LYS HEy 1.0 1.2 7.3 3255 1679 A 16 MET H A 16 MET HE% 1.0 0.3 7.5 3256 1680 A 23 VAL H A 16 MET HE% 1.0 0.3 7.5 3257 1681 A 21 PHE H A 16 MET HE% 1.0 0.3 5.8 3258 1682 A 20 ALA H A 16 MET HE% 1.0 0.3 7.5 3259 1683 A 16 MET HE% A 24 GLN HE2y 1.0 1.2 9.0 3260 1683 A 24 GLN HE2x A 16 MET HE% 1.0 1.2 9.0 3261 1684 A 21 PHE HD% A 16 MET HE% 1.0 2.1 8.2 3262 1685 A 21 PHE HE% A 16 MET HE% 1.0 2.1 8.2 3263 1686 A 21 PHE HZ A 16 MET HE% 1.0 0.2 8.0 3264 1687 A 16 MET HE% A 24 GLN HE2y 1.0 1.2 9.0 3265 1687 A 24 GLN HE2x A 16 MET HE% 1.0 1.2 9.0 3266 1688 A 16 MET HA A 16 MET HE% 1.0 0.3 7.5 3267 1689 A 21 PHE HA A 16 MET HE% 1.0 0.3 5.8 3268 1690 A 24 GLN HA A 16 MET HE% 1.0 0.3 7.5 3269 1691 A 16 MET HE% A 21 PHE HBx 1.0 0.7 8.5 3270 1691 A 21 PHE HBy A 16 MET HE% 1.0 0.7 8.5 3271 1692 A 16 MET HE% A 24 GLN HGx 1.0 1.2 7.3 3272 1692 A 24 GLN HGy A 16 MET HE% 1.0 1.2 7.3 3273 1693 A 16 MET HE% A 24 GLN HB2 1.0 0.7 6.8 3274 1693 A 24 GLN HB3 A 16 MET HE% 1.0 0.7 6.8 3275 1694 A 16 MET HE% A 16 MET HBx 1.0 0.7 6.8 3276 1694 A 16 MET HE% A 16 MET HBy 1.0 0.7 6.8 3277 1695 A 20 ALA HA A 16 MET HE% 1.0 0.3 5.8 3278 1696 A 60 LYS H A 61 GLY HAx 1.0 0.8 7.0 3279 1696 A 60 LYS H A 61 GLY HAy 1.0 0.8 7.0 3280 1697 A 63 PHE H A 61 GLY HAx 1.0 0.8 7.0 3281 1697 A 61 GLY HAy A 63 PHE H 1.0 0.8 7.0 3282 1698 A 65 ASP H A 61 GLY HAx 1.0 0.8 7.0 3283 1698 A 61 GLY HAy A 65 ASP H 1.0 0.8 7.0 3284 1699 A 65 ASP H A 61 GLY HAx 1.0 0.8 7.0 3285 1699 A 61 GLY HAy A 65 ASP H 1.0 0.8 7.0 3286 1700 A 64 GLU H A 61 GLY HAx 1.0 0.8 7.0 3287 1700 A 64 GLU H A 61 GLY HAy 1.0 0.8 7.0 3288 1701 A 60 LYS H A 61 GLY HAx 1.0 0.8 7.0 3289 1701 A 60 LYS H A 61 GLY HAy 1.0 0.8 7.0 3290 1702 A 63 PHE H A 61 GLY HAx 1.0 0.8 7.0 3291 1702 A 61 GLY HAy A 63 PHE H 1.0 0.8 7.0 3292 1703 A 64 GLU HA A 61 GLY HAx 1.0 0.8 7.0 3293 1703 A 61 GLY HAy A 64 GLU HA 1.0 0.8 7.0 3294 1704 A 61 GLY HAx A 64 GLU HGx 1.0 0.7 8.5 3295 1704 A 61 GLY HAy A 64 GLU HGx 1.0 0.7 8.5 3296 1704 A 64 GLU HGy A 61 GLY HAx 1.0 0.7 8.5 3297 1704 A 61 GLY HAy A 64 GLU HGy 1.0 0.7 8.5 3298 1705 A 61 GLY HAx A 65 ASP HBx 1.0 0.2 8.0 3299 1705 A 65 ASP HBy A 61 GLY HAx 1.0 0.2 8.0 3300 1705 A 61 GLY HAy A 65 ASP HBy 1.0 0.2 8.0 3301 1705 A 61 GLY HAy A 65 ASP HBx 1.0 0.2 8.0 3302 1706 A 61 GLY HAx A 64 GLU HBx 1.0 0.2 6.3 3303 1706 A 61 GLY HAy A 64 GLU HBx 1.0 0.2 6.3 3304 1706 A 64 GLU HBy A 61 GLY HAx 1.0 0.2 6.3 3305 1706 A 61 GLY HAy A 64 GLU HBy 1.0 0.2 6.3 3306 1707 A 60 LYS HBy A 61 GLY HAx 1.0 0.2 8.0 3307 1707 A 60 LYS HBx A 61 GLY HAx 1.0 0.2 8.0 3308 1707 A 61 GLY HAy A 60 LYS HBx 1.0 0.2 8.0 3309 1707 A 61 GLY HAy A 60 LYS HBy 1.0 0.2 8.0 3310 1708 A 61 GLY HAx A 62 LYS HBx 1.0 0.2 8.0 3311 1708 A 61 GLY HAy A 62 LYS HBx 1.0 0.2 8.0 3312 1708 A 62 LYS HBy A 61 GLY HAx 1.0 0.2 8.0 3313 1708 A 61 GLY HAy A 62 LYS HBy 1.0 0.2 8.0 3314 1709 A 19 TYR HD% A 52 TRP HZ2 1.0 1.1 8.9 3315 1710 A 52 TRP HZ2 A 18 SER HBx 1.0 0.3 7.5 3316 1710 A 18 SER HBy A 52 TRP HZ2 1.0 0.3 7.5 3317 1711 A 52 TRP HZ2 A 19 TYR HBx 1.0 0.3 7.5 3318 1711 A 19 TYR HBy A 52 TRP HZ2 1.0 0.3 7.5 3319 1712 A 52 TRP HZ2 A 19 TYR HBx 1.0 0.3 7.5 3320 1712 A 19 TYR HBy A 52 TRP HZ2 1.0 0.3 7.5 3321 1713 A 52 TRP HZ2 A 55 MET HE% 1.0 0.2 8.0 3322 1714 A 52 TRP HZ2 A 60 LYS HDy 1.0 0.2 8.0 3323 1714 A 60 LYS HDx A 52 TRP HZ2 1.0 0.2 8.0 3324 1715 A 52 TRP HZ2 A 60 LYS HGy 1.0 0.2 8.0 3325 1715 A 60 LYS HGx A 52 TRP HZ2 1.0 0.2 8.0 3326 1716 A 52 TRP HZ2 A 63 PHE HBy 1.0 0.3 7.5 3327 1716 A 63 PHE HBx A 52 TRP HZ2 1.0 0.3 7.5 3328 1717 A 21 PHE HA A 24 GLN HB2 1.0 0.8 7.0 3329 1717 A 21 PHE HA A 24 GLN HB3 1.0 0.8 7.0 3330 1718 A 26 CYS HBx A 27 ARG H 1.0 1.8 6.0 3331 1719 A 26 CYS HBx A 22 PHE HE% 1.0 0.6 8.4 3332 1720 A 73 ARG HA A 72 ALA HB% 1.0 0.3 7.5 3333 1721 A 69 ALA HB% A 68 LYS HB2 1.0 0.7 8.5 3334 1721 A 68 LYS HB3 A 69 ALA HB% 1.0 0.7 8.5 3335 1722 A 72 ALA HB% A 75 GLU HBx 1.0 0.7 8.5 3336 1722 A 72 ALA HB% A 75 GLU HBy 1.0 0.7 8.5 3337 1723 A 37 ALA H A 36 ASP HBx 1.0 0.8 7.0 3338 1723 A 37 ALA H A 36 ASP HBy 1.0 0.8 7.0 3339 1724 A 19 TYR H A 17 SER HA 1.0 1.8 6.0 3340 1725 A 41 PHE HD% A 42 SER HB2 1.0 1.6 9.4 3341 1725 A 41 PHE HD% A 42 SER HB3 1.0 1.6 9.4 3342 1726 A 56 SER HA A 58 LYS H 1.0 1.8 6.0 3343 1727 A 13 ARG H A 13 ARG HGy 1.0 0.3 7.5 3344 1727 A 13 ARG H A 13 ARG HGx 1.0 0.3 7.5 3345 1728 A 14 GLY H A 13 ARG HGy 1.0 0.3 7.5 3346 1728 A 14 GLY H A 13 ARG HGx 1.0 0.3 7.5 3347 1729 A 8 ASP HA A 9 PRO HG2 1.0 0.8 7.0 3348 1729 A 9 PRO HG3 A 8 ASP HA 1.0 0.8 7.0 3349 1730 A 73 ARG HE A 73 ARG HBx 1.0 0.8 7.0 3350 1730 A 73 ARG HE A 73 ARG HBy 1.0 0.8 7.0 3351 1731 A 87 GLU H A 87 GLU HBx 1.0 0.8 7.0 3352 1731 A 87 GLU H A 87 GLU HBy 1.0 0.8 7.0 3353 1732 A 74 TYR HD% A 14 GLY HAx 1.0 1.6 9.4 3354 1732 A 74 TYR HD% A 14 GLY HAy 1.0 1.6 9.4 3355 1733 A 63 PHE HD% A 21 PHE HBx 1.0 1.6 9.4 3356 1733 A 21 PHE HBy A 63 PHE HD% 1.0 1.6 9.4 3357 1734 A 21 PHE HE% A 67 ALA HA 1.0 0.6 6.7 3358 1735 A 21 PHE HZ A 67 ALA HA 1.0 1.3 6.5 3359 1736 A 67 ALA HA A 70 ASP HB2 1.0 0.8 5.3 3360 1736 A 70 ASP HB3 A 67 ALA HA 1.0 0.8 5.3 3361 1737 A 22 PHE HZ A 51 ARG HGx 1.0 0.2 8.0 3362 1737 A 22 PHE HZ A 51 ARG HGy 1.0 0.2 8.0 3363 1738 A 22 PHE HZ A 51 ARG HBx 1.0 0.3 5.8 3364 1738 A 51 ARG HBy A 22 PHE HZ 1.0 0.3 5.8 3365 1739 A 22 PHE HD% A 22 PHE HZ 1.0 1.1 8.9 3366 1740 A 66 MET HE% A 66 MET HBx 1.0 0.7 8.5 3367 1740 A 66 MET HE% A 66 MET HBy 1.0 0.7 8.5 3368 1741 A 66 MET HE% A 66 MET HGx 1.0 1.2 7.3 3369 1741 A 66 MET HGy A 66 MET HE% 1.0 1.2 7.3 3370 1742 A 66 MET HE% A 66 MET HGx 1.0 1.2 7.3 3371 1742 A 66 MET HGy A 66 MET HE% 1.0 1.2 7.3 3372 1743 A 66 MET HE% A 62 LYS HE2 1.0 1.2 7.3 3373 1743 A 66 MET HE% A 62 LYS HE3 1.0 1.2 7.3 3374 1744 A 66 MET HE% A 21 PHE HBx 1.0 0.7 8.5 3375 1744 A 21 PHE HBy A 66 MET HE% 1.0 0.7 8.5 3376 1745 A 66 MET HE% A 21 PHE HBx 1.0 0.7 8.5 3377 1745 A 21 PHE HBy A 66 MET HE% 1.0 0.7 8.5 3378 1746 A 66 MET HE% A 66 MET HA 1.0 0.3 7.5 3379 1747 A 66 MET HE% A 63 PHE HBy 1.0 0.7 6.8 3380 1747 A 66 MET HE% A 63 PHE HBx 1.0 0.7 6.8 3381 1748 A 66 MET HE% A 63 PHE HA 1.0 0.3 5.8 3382 1749 A 66 MET HE% A 21 PHE HD% 1.0 2.1 8.2 3383 1750 A 63 PHE HD% A 66 MET HE% 1.0 2.1 8.2 3384 1751 A 14 GLY HAx A 15 LYS HB2 1.0 0.2 8.0 3385 1751 A 14 GLY HAy A 15 LYS HB2 1.0 0.2 8.0 3386 1751 A 15 LYS HB3 A 14 GLY HAx 1.0 0.2 8.0 3387 1751 A 15 LYS HB3 A 14 GLY HAy 1.0 0.2 8.0 3388 1752 A 63 PHE H A 62 LYS HE2 1.0 0.3 7.5 3389 1752 A 63 PHE H A 62 LYS HE3 1.0 0.3 7.5 3390 1753 A 63 PHE HE% A 62 LYS HE2 1.0 2.1 9.9 3391 1753 A 62 LYS HE3 A 63 PHE HE% 1.0 2.1 9.9 3392 1754 A 62 LYS HE3 A 63 PHE HBy 1.0 0.7 8.5 3393 1754 A 62 LYS HE2 A 63 PHE HBy 1.0 0.7 8.5 3394 1754 A 63 PHE HBx A 62 LYS HE2 1.0 0.7 8.5 3395 1754 A 63 PHE HBx A 62 LYS HE3 1.0 0.7 8.5 3396 1755 A 71 LYS HA A 15 LYS HEy 1.0 0.3 7.5 3397 1755 A 15 LYS HEx A 71 LYS HA 1.0 0.3 7.5 3398 1756 A 15 LYS HEx A 15 LYS HGy 1.0 1.2 7.3 3399 1756 A 15 LYS HEy A 15 LYS HGy 1.0 1.2 7.3 3400 1756 A 15 LYS HGx A 15 LYS HEy 1.0 1.2 7.3 3401 1756 A 15 LYS HGx A 15 LYS HEx 1.0 1.2 7.3 3402 1757 A 62 LYS HE2 A 62 LYS HGx 1.0 1.2 7.3 3403 1757 A 62 LYS HE3 A 62 LYS HGx 1.0 1.2 7.3 3404 1757 A 62 LYS HGy A 62 LYS HE2 1.0 1.2 7.3 3405 1757 A 62 LYS HGy A 62 LYS HE3 1.0 1.2 7.3 3406 1758 A 15 LYS HGy A 74 TYR HBx 1.0 0.7 8.5 3407 1758 A 15 LYS HGx A 74 TYR HBx 1.0 0.7 8.5 3408 1758 A 74 TYR HBy A 15 LYS HGy 1.0 0.7 8.5 3409 1758 A 15 LYS HGx A 74 TYR HBy 1.0 0.7 8.5 3410 1759 A 15 LYS HGy A 74 TYR HBx 1.0 0.7 8.5 3411 1759 A 15 LYS HGx A 74 TYR HBx 1.0 0.7 8.5 3412 1759 A 74 TYR HBy A 15 LYS HGy 1.0 0.7 8.5 3413 1759 A 15 LYS HGx A 74 TYR HBy 1.0 0.7 8.5 3414 1760 A 19 TYR HD% A 22 PHE HBy 1.0 1.6 9.4 3415 1760 A 19 TYR HD% A 22 PHE HBx 1.0 1.6 9.4 3416 1761 A 81 TYR HE% A 11 LYS HBx 1.0 1.6 9.4 3417 1761 A 11 LYS HBy A 81 TYR HE% 1.0 1.6 9.4 3418 1762 A 11 LYS HBx A 12 PRO HDx 1.0 0.2 8.0 3419 1762 A 11 LYS HBy A 12 PRO HDx 1.0 0.2 8.0 3420 1762 A 12 PRO HDy A 11 LYS HBx 1.0 0.2 8.0 3421 1762 A 11 LYS HBy A 12 PRO HDy 1.0 0.2 8.0 3422 1763 A 52 TRP HH2 A 60 LYS HBx 1.0 0.3 7.5 3423 1763 A 60 LYS HBy A 52 TRP HH2 1.0 0.3 7.5 3424 1764 A 20 ALA HB% A 17 SER HBy 1.0 0.7 8.5 3425 1764 A 20 ALA HB% A 17 SER HBx 1.0 0.7 8.5 3426 1765 A 63 PHE HD% A 25 THR HG2% 1.0 2.1 9.9 3427 1766 A 63 PHE HD% A 62 LYS HD2 1.0 2.1 9.9 3428 1766 A 63 PHE HD% A 62 LYS HD3 1.0 2.1 9.9 3429 1767 A 63 PHE H A 63 PHE HE% 1.0 0.6 8.4 3430 1768 A 63 PHE HA A 63 PHE HE% 1.0 0.6 8.4 3431 1769 A 63 PHE HE% A 25 THR HA 1.0 0.6 8.4 3432 1770 A 63 PHE HE% A 59 GLU HA 1.0 0.6 8.4 3433 1771 A 26 CYS HBx A 22 PHE HZ 1.0 1.3 6.5 3434 1772 A 30 HIS HD2 A 44 PHE HE% 1.0 1.1 8.9 3435 1773 A 30 HIS HD2 A 44 PHE HZ 1.0 0.8 7.0 3436 1774 A 83 PRO HBx A 84 PRO HDx 1.0 0.2 8.0 3437 1774 A 83 PRO HBy A 84 PRO HDx 1.0 0.2 8.0 3438 1774 A 84 PRO HDy A 83 PRO HBy 1.0 0.2 8.0 3439 1774 A 83 PRO HBx A 84 PRO HDy 1.0 0.2 8.0 3440 1775 A 19 TYR H A 18 SER HBx 1.0 0.8 7.0 3441 1775 A 18 SER HBy A 19 TYR H 1.0 0.8 7.0 3442 1776 A 21 PHE HA A 24 GLN HE2y 1.0 0.3 7.5 3443 1776 A 21 PHE HA A 24 GLN HE2x 1.0 0.3 7.5 3444 1777 A 63 PHE HD% A 21 PHE HA 1.0 0.6 8.4 3445 1778 A 52 TRP HH2 A 18 SER HBx 1.0 0.3 7.5 3446 1778 A 18 SER HBy A 52 TRP HH2 1.0 0.3 7.5 3447 1779 A 52 TRP HZ2 A 18 SER HBx 1.0 0.3 7.5 3448 1779 A 18 SER HBy A 52 TRP HZ2 1.0 0.3 7.5 3449 1780 A 18 SER HBx A 63 PHE HBy 1.0 0.2 8.0 3450 1780 A 18 SER HBy A 63 PHE HBy 1.0 0.2 8.0 3451 1780 A 63 PHE HBx A 18 SER HBx 1.0 0.2 8.0 3452 1780 A 18 SER HBy A 63 PHE HBx 1.0 0.2 8.0 3453 1781 A 67 ALA HB% A 18 SER HBx 1.0 0.7 6.8 3454 1781 A 18 SER HBy A 67 ALA HB% 1.0 0.7 6.8 3455 1782 A 72 ALA HB% A 72 ALA H 1.0 0.3 4.9 3456 1783 A 72 ALA HB% A 71 LYS H 1.0 0.3 7.5 3457 1784 A 55 MET HE% A 60 LYS HDy 1.0 1.2 9.0 3458 1784 A 60 LYS HDx A 55 MET HE% 1.0 1.2 9.0 3459 1785 A 70 ASP HA A 73 ARG HBx 1.0 0.8 7.0 3460 1785 A 73 ARG HBy A 70 ASP HA 1.0 0.8 7.0 3461 1786 A 30 HIS H A 29 GLU HG2 1.0 0.3 7.5 3462 1786 A 30 HIS H A 29 GLU HG3 1.0 0.3 7.5 3463 1787 A 44 PHE H A 43 GLU HGy 1.0 0.3 7.5 3464 1787 A 44 PHE H A 43 GLU HGx 1.0 0.3 7.5 3465 1788 A 32 LYS H A 28 GLU HGx 1.0 0.3 7.5 3466 1788 A 28 GLU HGy A 32 LYS H 1.0 0.3 7.5 3467 1789 A 35 PRO HG2 A 36 ASP HBx 1.0 0.2 8.0 3468 1789 A 35 PRO HG3 A 36 ASP HBx 1.0 0.2 8.0 3469 1789 A 36 ASP HBy A 35 PRO HG2 1.0 0.2 8.0 3470 1789 A 36 ASP HBy A 35 PRO HG3 1.0 0.2 8.0 3471 1790 A 11 LYS HEy A 83 PRO HG2 1.0 0.7 8.5 3472 1790 A 11 LYS HEx A 83 PRO HG2 1.0 0.7 8.5 3473 1790 A 83 PRO HG3 A 11 LYS HEx 1.0 0.7 8.5 3474 1790 A 11 LYS HEy A 83 PRO HG3 1.0 0.7 8.5 3475 1791 A 34 HIS HA A 35 PRO HG2 1.0 0.8 7.0 3476 1791 A 34 HIS HA A 35 PRO HG3 1.0 0.8 7.0 3477 1792 A 81 TYR HE% A 83 PRO HG2 1.0 1.6 9.4 3478 1792 A 81 TYR HE% A 83 PRO HG3 1.0 1.6 9.4 3479 1793 A 81 TYR HD% A 83 PRO HG2 1.0 1.6 9.4 3480 1793 A 81 TYR HD% A 83 PRO HG3 1.0 1.6 9.4 3481 1794 A 80 THR HG2% A 78 MET HG2 1.0 1.2 9.0 3482 1794 A 80 THR HG2% A 78 MET HG3 1.0 1.2 9.0 3483 1795 A 71 LYS H A 72 ALA HA 1.0 1.8 6.0 3484 1796 A 78 MET HA A 12 PRO HGx 1.0 0.8 5.3 3485 1796 A 78 MET HA A 12 PRO HGy 1.0 0.8 5.3 3486 1797 A 29 GLU H A 28 GLU HGx 1.0 0.3 5.8 3487 1797 A 29 GLU H A 28 GLU HGy 1.0 0.3 5.8 3488 1798 A 50 GLU H A 50 GLU HGx 1.0 0.3 5.8 3489 1798 A 50 GLU H A 50 GLU HGy 1.0 0.3 5.8 3490 1799 A 25 THR HA A 28 GLU HGx 1.0 0.3 7.5 3491 1799 A 28 GLU HGy A 25 THR HA 1.0 0.3 7.5 3492 1800 A 47 LYS HEx A 50 GLU HGx 1.0 1.2 9.0 3493 1800 A 47 LYS HEy A 50 GLU HGx 1.0 1.2 9.0 3494 1800 A 50 GLU HGy A 47 LYS HEx 1.0 1.2 9.0 3495 1800 A 50 GLU HGy A 47 LYS HEy 1.0 1.2 9.0 3496 1801 A 62 LYS HA A 62 LYS HGx 1.0 0.3 5.8 3497 1801 A 62 LYS HGy A 62 LYS HA 1.0 0.3 5.8 3498 1802 A 62 LYS HA A 62 LYS HGx 1.0 0.3 7.5 3499 1802 A 62 LYS HGy A 62 LYS HA 1.0 0.3 7.5 3500 1803 A 71 LYS HA A 15 LYS HEy 1.0 0.3 5.8 3501 1803 A 15 LYS HEx A 71 LYS HA 1.0 0.3 5.8 3502 1804 A 9 PRO HA A 8 ASP HA 1.0 1.8 6.0 3503 1805 A 69 ALA H A 71 LYS HBx 1.0 0.8 7.0 3504 1805 A 69 ALA H A 71 LYS HBy 1.0 0.8 7.0 3505 1806 A 68 LYS H A 71 LYS HBx 1.0 0.8 7.0 3506 1806 A 68 LYS H A 71 LYS HBy 1.0 0.8 7.0 3507 1807 A 70 ASP HA A 73 ARG HGx 1.0 0.3 7.5 3508 1807 A 73 ARG HGy A 70 ASP HA 1.0 0.3 7.5 3509 1808 A 70 ASP HA A 73 ARG HGx 1.0 0.3 7.5 3510 1808 A 73 ARG HGy A 70 ASP HA 1.0 0.3 7.5 3511 1809 A 73 ARG HA A 73 ARG HGx 1.0 0.3 5.8 3512 1809 A 73 ARG HA A 73 ARG HGy 1.0 0.3 5.8 3513 1810 A 28 GLU HA A 28 GLU HGx 1.0 0.3 7.5 3514 1810 A 28 GLU HGy A 28 GLU HA 1.0 0.3 7.5 3515 1811 A 29 GLU HA A 28 GLU HGx 1.0 0.3 7.5 3516 1811 A 28 GLU HGy A 29 GLU HA 1.0 0.3 7.5 3517 1812 A 79 LYS H A 78 MET HB2 1.0 0.8 7.0 3518 1812 A 79 LYS H A 78 MET HB3 1.0 0.8 7.0 3519 1813 A 36 ASP HA A 37 ALA HB% 1.0 0.3 7.5 3520 1814 A 39 VAL H A 38 SER HBx 1.0 0.8 7.0 3521 1814 A 39 VAL H A 38 SER HBy 1.0 0.8 7.0 3522 1815 A 39 VAL H A 38 SER HBx 1.0 0.8 7.0 3523 1815 A 39 VAL H A 38 SER HBy 1.0 0.8 7.0 3524 1816 A 39 VAL H A 39 VAL HB 1.0 1.8 4.3 3525 1817 A 39 VAL HA A 39 VAL HB 1.0 1.8 3.4 3526 1818 A 50 GLU H A 50 GLU HBx 1.0 0.8 5.3 3527 1818 A 50 GLU H A 50 GLU HBy 1.0 0.8 5.3 3528 1819 A 50 GLU HA A 50 GLU HBx 1.0 0.8 5.3 3529 1819 A 50 GLU HBy A 50 GLU HA 1.0 0.8 5.3 3530 1820 A 81 TYR HE% A 82 ILE HD1% 1.0 2.1 9.9 3531 1821 A 44 PHE H A 40 ASN HBx 1.0 0.8 7.0 3532 1821 A 40 ASN HBy A 44 PHE H 1.0 0.8 7.0 3533 1822 A 69 ALA H A 68 LYS HB2 1.0 0.8 5.3 3534 1822 A 68 LYS HB3 A 69 ALA H 1.0 0.8 5.3 3535 1823 A 68 LYS H A 68 LYS HB2 1.0 0.8 4.4 3536 1823 A 68 LYS H A 68 LYS HB3 1.0 0.8 4.4 3537 1824 A 80 THR HG2% A 81 TYR HBx 1.0 0.7 8.5 3538 1824 A 81 TYR HBy A 80 THR HG2% 1.0 0.7 8.5 3539 1825 A 78 MET HA A 78 MET HG2 1.0 0.3 5.8 3540 1825 A 78 MET HA A 78 MET HG3 1.0 0.3 5.8 3541 1826 A 71 LYS HD2 A 71 LYS HG2 1.0 1.2 6.4 3542 1826 A 71 LYS HD3 A 71 LYS HG2 1.0 1.2 6.4 3543 1826 A 71 LYS HG3 A 71 LYS HD2 1.0 1.2 6.4 3544 1826 A 71 LYS HD3 A 71 LYS HG3 1.0 1.2 6.4 3545 1827 A 39 VAL H A 44 PHE HBx 1.0 0.8 7.0 3546 1827 A 44 PHE HBy A 39 VAL H 1.0 0.8 7.0 3547 1828 A 8 ASP H A 10 LYS HD2 1.0 0.3 7.5 3548 1828 A 8 ASP H A 10 LYS HD3 1.0 0.3 7.5 3549 1829 A 39 VAL H A 31 LYS HEx 1.0 0.3 7.5 3550 1829 A 39 VAL H A 31 LYS HEy 1.0 0.3 7.5 3551 1830 A 71 LYS H A 73 ARG HBx 1.0 0.8 7.0 3552 1830 A 73 ARG HBy A 71 LYS H 1.0 0.8 7.0 3553 1831 A 74 TYR HD% A 15 LYS H 1.0 0.6 8.4 3554 1832 A 39 VAL HGy% A 40 ASN HD2x 1.0 1.2 9.0 3555 1832 A 39 VAL HGy% A 40 ASN HD2y 1.0 1.2 9.0 3556 1833 A 59 GLU H A 55 MET HBx 1.0 0.8 7.0 3557 1833 A 55 MET HBy A 59 GLU H 1.0 0.8 7.0 3558 1834 A 74 TYR HE% A 73 ARG HDy 1.0 2.1 9.9 3559 1834 A 73 ARG HDx A 74 TYR HE% 1.0 2.1 9.9 3560 1835 A 73 ARG HDx A 77 GLU HGx 1.0 1.2 9.0 3561 1835 A 73 ARG HDy A 77 GLU HGx 1.0 1.2 9.0 3562 1835 A 77 GLU HGy A 73 ARG HDy 1.0 1.2 9.0 3563 1835 A 73 ARG HDx A 77 GLU HGy 1.0 1.2 9.0 3564 1836 A 15 LYS H A 74 TYR HBx 1.0 0.8 7.0 3565 1836 A 15 LYS H A 74 TYR HBy 1.0 0.8 7.0 3566 1837 A 43 GLU HGx A 46 LYS HEx 1.0 1.2 9.0 3567 1837 A 43 GLU HGy A 46 LYS HEx 1.0 1.2 9.0 3568 1837 A 46 LYS HEy A 43 GLU HGy 1.0 1.2 9.0 3569 1837 A 46 LYS HEy A 43 GLU HGx 1.0 1.2 9.0 3570 1838 A 50 GLU HA A 50 GLU HGx 1.0 0.3 7.5 3571 1838 A 50 GLU HGy A 50 GLU HA 1.0 0.3 7.5 3572 1839 A 28 GLU HGy A 32 LYS HBx 1.0 0.7 8.5 3573 1839 A 28 GLU HGx A 32 LYS HBx 1.0 0.7 8.5 3574 1839 A 32 LYS HBy A 28 GLU HGx 1.0 0.7 8.5 3575 1839 A 28 GLU HGy A 32 LYS HBy 1.0 0.7 8.5 3576 1840 A 25 THR HB A 28 GLU HBy 1.0 0.8 7.0 3577 1840 A 28 GLU HBx A 25 THR HB 1.0 0.8 7.0 3578 1841 A 23 VAL HA A 26 CYS HA 1.0 1.8 6.0 3579 1842 A 73 ARG HE A 74 TYR HD% 1.0 0.6 8.4 3580 1843 A 34 HIS HD2 A 32 LYS HBx 1.0 0.3 7.5 3581 1843 A 32 LYS HBy A 34 HIS HD2 1.0 0.3 7.5 3582 1844 A 45 SER HA A 47 LYS HBx 1.0 0.8 7.0 3583 1844 A 45 SER HA A 47 LYS HBy 1.0 0.8 7.0 3584 1845 A 29 GLU HBx A 32 LYS HBx 1.0 0.2 8.0 3585 1845 A 29 GLU HBy A 32 LYS HBx 1.0 0.2 8.0 3586 1845 A 32 LYS HBy A 29 GLU HBx 1.0 0.2 8.0 3587 1845 A 29 GLU HBy A 32 LYS HBy 1.0 0.2 8.0 3588 1846 A 60 LYS H A 55 MET HG2 1.0 0.3 7.5 3589 1846 A 60 LYS H A 55 MET HG3 1.0 0.3 7.5 3590 1847 A 12 PRO HA A 13 ARG HB2 1.0 0.8 7.0 3591 1847 A 13 ARG HB3 A 12 PRO HA 1.0 0.8 7.0 3592 1848 A 32 LYS H A 33 LYS HDy 1.0 0.3 7.5 3593 1848 A 32 LYS H A 33 LYS HDx 1.0 0.3 7.5 3594 1849 A 41 PHE HD% A 41 PHE HA 1.0 0.6 8.4 3595 1850 A 21 PHE HZ A 16 MET HGx 1.0 0.2 8.0 3596 1850 A 21 PHE HZ A 16 MET HGy 1.0 0.2 8.0 3597 1851 A 73 ARG HE A 74 TYR HA 1.0 1.8 6.0 3598 1852 A 74 TYR HE% A 74 TYR HA 1.0 0.6 8.4 3599 1853 A 31 LYS HA A 34 HIS HBx 1.0 0.8 7.0 3600 1853 A 34 HIS HBy A 31 LYS HA 1.0 0.8 7.0 3601 1854 A 27 ARG HD3 A 45 SER HBx 1.0 0.7 8.5 3602 1854 A 45 SER HBy A 27 ARG HD2 1.0 0.7 8.5 3603 1854 A 45 SER HBy A 27 ARG HD3 1.0 0.7 8.5 3604 1854 A 27 ARG HD2 A 45 SER HBx 1.0 0.7 8.5 3605 1855 A 18 SER HBx A 64 GLU HBx 1.0 0.2 8.0 3606 1855 A 18 SER HBy A 64 GLU HBx 1.0 0.2 8.0 3607 1855 A 64 GLU HBy A 18 SER HBx 1.0 0.2 8.0 3608 1855 A 64 GLU HBy A 18 SER HBy 1.0 0.2 8.0 3609 1856 A 49 SER HA A 53 LYS HGy 1.0 0.3 7.5 3610 1856 A 53 LYS HGx A 49 SER HA 1.0 0.3 7.5 3611 1857 A 74 TYR HA A 15 LYS HGy 1.0 0.3 7.5 3612 1857 A 15 LYS HGx A 74 TYR HA 1.0 0.3 7.5 3613 1858 A 79 LYS H A 12 PRO HGx 1.0 0.8 7.0 3614 1858 A 79 LYS H A 12 PRO HGy 1.0 0.8 7.0 3615 1859 A 45 SER HA A 47 LYS HBx 1.0 0.8 7.0 3616 1859 A 45 SER HA A 47 LYS HBy 1.0 0.8 7.0 3617 1860 A 81 TYR HD% A 82 ILE HG1x 1.0 1.6 9.4 3618 1860 A 81 TYR HD% A 82 ILE HG1y 1.0 1.6 9.4 3619 1861 A 24 GLN HA A 28 GLU H 1.0 1.8 6.0 3620 1862 A 28 GLU HGx A 32 LYS HGx 1.0 1.2 9.0 3621 1862 A 28 GLU HGy A 32 LYS HGx 1.0 1.2 9.0 3622 1862 A 32 LYS HGy A 28 GLU HGx 1.0 1.2 9.0 3623 1862 A 28 GLU HGy A 32 LYS HGy 1.0 1.2 9.0 3624 1863 A 23 VAL HGy% A 27 ARG HB2 1.0 0.7 8.5 3625 1863 A 27 ARG HB3 A 23 VAL HGy% 1.0 0.7 8.5 3626 1864 A 24 GLN H A 25 THR HG2% 1.0 0.3 7.5 3627 1865 A 80 THR HG2% A 79 LYS HD2 1.0 1.2 7.3 3628 1865 A 79 LYS HD3 A 80 THR HG2% 1.0 1.2 7.3 3629 1866 A 23 VAL HGy% A 49 SER HBx 1.0 0.7 8.5 3630 1866 A 49 SER HBy A 23 VAL HGy% 1.0 0.7 8.5 3631 1867 A 23 VAL HGy% A 22 PHE HBy 1.0 0.7 8.5 3632 1867 A 22 PHE HBx A 23 VAL HGy% 1.0 0.7 8.5 3633 1868 A 39 VAL HGy% A 38 SER HBx 1.0 0.7 8.5 3634 1868 A 39 VAL HGy% A 38 SER HBy 1.0 0.7 8.5 3635 1869 A 39 VAL HGx% A 31 LYS HEx 1.0 1.2 9.0 3636 1869 A 39 VAL HGx% A 31 LYS HEy 1.0 1.2 9.0 3637 1870 A 37 ALA HB% A 38 SER HBx 1.0 0.7 8.5 3638 1870 A 37 ALA HB% A 38 SER HBy 1.0 0.7 8.5 3639 1871 A 20 ALA HB% A 24 GLN HB2 1.0 0.7 6.8 3640 1871 A 20 ALA HB% A 24 GLN HB3 1.0 0.7 6.8 3641 1872 A 64 GLU HA A 61 GLY HAx 1.0 0.8 7.0 3642 1872 A 61 GLY HAy A 64 GLU HA 1.0 0.8 7.0 3643 1873 A 80 THR HG2% A 79 LYS HE2 1.0 1.2 9.0 3644 1873 A 79 LYS HE3 A 80 THR HG2% 1.0 1.2 9.0 3645 1874 A 68 LYS H A 68 LYS HEx 1.0 0.3 7.5 3646 1874 A 68 LYS H A 68 LYS HEy 1.0 0.3 7.5 3647 1875 A 31 LYS HBx A 35 PRO HDx 1.0 0.2 8.0 3648 1875 A 31 LYS HBy A 35 PRO HDx 1.0 0.2 8.0 3649 1875 A 35 PRO HDy A 31 LYS HBx 1.0 0.2 8.0 3650 1875 A 35 PRO HDy A 31 LYS HBy 1.0 0.2 8.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 7 GLY C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -124.6 -64.6 PHI 2 2 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 PRO N 1.0 96.8 156.8 PSI 3 3 A 10 LYS C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -116.3 -56.3 PHI 4 4 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 PRO N 1.0 97.7 157.7 PSI 5 5 A 12 PRO N A 12 PRO CA A 12 PRO C A 13 ARG N 1.0 120.0 180.0 PSI 6 6 A 15 LYS C A 16 MET N A 16 MET CA A 16 MET C 1.0 -138.0 -78.0 PHI 7 7 A 16 MET N A 16 MET CA A 16 MET C A 17 SER N 1.0 100.9 160.9 PSI 8 8 A 16 MET C A 17 SER N A 17 SER CA A 17 SER C 1.0 -123.4 -63.4 PHI 9 9 A 17 SER N A 17 SER CA A 17 SER C A 18 SER N 1.0 138.1 198.1 PSI 10 10 A 17 SER C A 18 SER N A 18 SER CA A 18 SER C 1.0 -89.4 -29.4 PHI 11 11 A 18 SER N A 18 SER CA A 18 SER C A 19 TYR N 1.0 -62.8 -2.8 PSI 12 12 A 18 SER C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -95.7 -35.7 PHI 13 13 A 19 TYR N A 19 TYR CA A 19 TYR C A 20 ALA N 1.0 -72.2 -12.2 PSI 14 14 A 19 TYR C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -93.2 -33.2 PHI 15 15 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 PHE N 1.0 -70.9 -10.9 PSI 16 16 A 20 ALA C A 21 PHE N A 21 PHE CA A 21 PHE C 1.0 -94.8 -34.8 PHI 17 17 A 21 PHE N A 21 PHE CA A 21 PHE C A 22 PHE N 1.0 -69.5 -9.5 PSI 18 18 A 21 PHE C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -96.1 -36.1 PHI 19 19 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 VAL N 1.0 -72.3 -12.3 PSI 20 20 A 22 PHE C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -94.5 -34.5 PHI 21 21 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 GLN N 1.0 -70.2 -10.2 PSI 22 22 A 23 VAL C A 24 GLN N A 24 GLN CA A 24 GLN C 1.0 -95.1 -35.1 PHI 23 23 A 24 GLN N A 24 GLN CA A 24 GLN C A 25 THR N 1.0 -68.1 -8.1 PSI 24 24 A 24 GLN C A 25 THR N A 25 THR CA A 25 THR C 1.0 -93.9 -33.9 PHI 25 25 A 25 THR N A 25 THR CA A 25 THR C A 26 CYS N 1.0 -73.6 -13.6 PSI 26 26 A 25 THR C A 26 CYS N A 26 CYS CA A 26 CYS C 1.0 -96.5 -36.5 PHI 27 27 A 26 CYS N A 26 CYS CA A 26 CYS C A 27 ARG N 1.0 -70.3 -10.3 PSI 28 28 A 26 CYS C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -90.4 -30.4 PHI 29 29 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 GLU N 1.0 -73.0 -13.0 PSI 30 30 A 27 ARG C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -94.8 -34.8 PHI 31 31 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 GLU N 1.0 -74.9 -14.9 PSI 32 32 A 28 GLU C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -96.7 -36.7 PHI 33 33 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 HIS N 1.0 -68.8 -8.8 PSI 34 34 A 29 GLU C A 30 HIS N A 30 HIS CA A 30 HIS C 1.0 -95.6 -35.6 PHI 35 35 A 30 HIS N A 30 HIS CA A 30 HIS C A 31 LYS N 1.0 -73.4 -13.4 PSI 36 36 A 30 HIS C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -92.9 -32.9 PHI 37 37 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 LYS N 1.0 -65.6 -5.6 PSI 38 38 A 31 LYS C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -99.8 -39.8 PHI 39 39 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 LYS N 1.0 -64.2 -4.2 PSI 40 40 A 32 LYS C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -110.6 -50.6 PHI 41 41 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 HIS N 1.0 -54.4 5.6 PSI 42 42 A 33 LYS C A 34 HIS N A 34 HIS CA A 34 HIS C 1.0 -143.4 -83.4 PHI 43 43 A 34 HIS N A 34 HIS CA A 34 HIS C A 35 PRO N 1.0 64.9 124.9 PSI 44 44 A 35 PRO N A 35 PRO CA A 35 PRO C A 36 ASP N 1.0 -51.4 8.6 PSI 45 45 A 35 PRO C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -112.2 -52.2 PHI 46 46 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 ALA N 1.0 -38.3 21.7 PSI 47 47 A 40 ASN C A 41 PHE N A 41 PHE CA A 41 PHE C 1.0 -89.7 -29.7 PHI 48 48 A 41 PHE N A 41 PHE CA A 41 PHE C A 42 SER N 1.0 -62.4 -2.4 PSI 49 49 A 41 PHE C A 42 SER N A 42 SER CA A 42 SER C 1.0 -95.3 -35.3 PHI 50 50 A 42 SER N A 42 SER CA A 42 SER C A 43 GLU N 1.0 -65.7 -5.7 PSI 51 51 A 42 SER C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -95.5 -35.5 PHI 52 52 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 PHE N 1.0 -68.1 -8.1 PSI 53 53 A 43 GLU C A 44 PHE N A 44 PHE CA A 44 PHE C 1.0 -96.3 -36.3 PHI 54 54 A 44 PHE N A 44 PHE CA A 44 PHE C A 45 SER N 1.0 -70.8 -10.8 PSI 55 55 A 44 PHE C A 45 SER N A 45 SER CA A 45 SER C 1.0 -96.1 -36.1 PHI 56 56 A 45 SER N A 45 SER CA A 45 SER C A 46 LYS N 1.0 -67.8 -7.8 PSI 57 57 A 45 SER C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -96.7 -36.7 PHI 58 58 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 LYS N 1.0 -72.9 -12.9 PSI 59 59 A 46 LYS C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -93.5 -33.5 PHI 60 60 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 CYS N 1.0 -66.9 -6.9 PSI 61 61 A 47 LYS C A 48 CYS N A 48 CYS CA A 48 CYS C 1.0 -98.6 -38.6 PHI 62 62 A 48 CYS N A 48 CYS CA A 48 CYS C A 49 SER N 1.0 -68.1 -8.1 PSI 63 63 A 48 CYS C A 49 SER N A 49 SER CA A 49 SER C 1.0 -92.9 -32.9 PHI 64 64 A 49 SER N A 49 SER CA A 49 SER C A 50 GLU N 1.0 -70.0 -10.0 PSI 65 65 A 49 SER C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -96.5 -36.5 PHI 66 66 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 ARG N 1.0 -71.2 -11.2 PSI 67 67 A 50 GLU C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -93.5 -33.5 PHI 68 68 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 TRP N 1.0 -70.5 -10.5 PSI 69 69 A 51 ARG C A 52 TRP N A 52 TRP CA A 52 TRP C 1.0 -100.4 -40.4 PHI 70 70 A 52 TRP N A 52 TRP CA A 52 TRP C A 53 LYS N 1.0 -72.5 -12.5 PSI 71 71 A 52 TRP C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -97.0 -37.0 PHI 72 72 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 THR N 1.0 -69.3 -9.3 PSI 73 73 A 53 LYS C A 54 THR N A 54 THR CA A 54 THR C 1.0 -134.9 -74.9 PHI 74 74 A 54 THR N A 54 THR CA A 54 THR C A 55 MET N 1.0 -34.2 25.8 PSI 75 75 A 54 THR C A 55 MET N A 55 MET CA A 55 MET C 1.0 -107.9 -47.9 PHI 76 76 A 55 MET N A 55 MET CA A 55 MET C A 56 SER N 1.0 108.3 168.3 PSI 77 77 A 55 MET C A 56 SER N A 56 SER CA A 56 SER C 1.0 -109.6 -49.6 PHI 78 78 A 56 SER N A 56 SER CA A 56 SER C A 57 ALA N 1.0 131.7 191.7 PSI 79 79 A 56 SER C A 57 ALA N A 57 ALA CA A 57 ALA C 1.0 -89.2 -29.2 PHI 80 80 A 57 ALA N A 57 ALA CA A 57 ALA C A 58 LYS N 1.0 -70.2 -10.2 PSI 81 81 A 57 ALA C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -98.8 -38.8 PHI 82 82 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 GLU N 1.0 -69.1 -9.1 PSI 83 83 A 58 LYS C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -98.7 -38.7 PHI 84 84 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 LYS N 1.0 -72.3 -12.3 PSI 85 85 A 59 GLU C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -95.7 -35.7 PHI 86 86 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 GLY N 1.0 -70.8 -10.8 PSI 87 87 A 60 LYS C A 61 GLY N A 61 GLY CA A 61 GLY C 1.0 -93.1 -33.1 PHI 88 88 A 61 GLY N A 61 GLY CA A 61 GLY C A 62 LYS N 1.0 -74.9 -14.9 PSI 89 89 A 61 GLY C A 62 LYS N A 62 LYS CA A 62 LYS C 1.0 -92.2 -32.2 PHI 90 90 A 62 LYS N A 62 LYS CA A 62 LYS C A 63 PHE N 1.0 -72.4 -12.4 PSI 91 91 A 62 LYS C A 63 PHE N A 63 PHE CA A 63 PHE C 1.0 -95.2 -35.2 PHI 92 92 A 63 PHE N A 63 PHE CA A 63 PHE C A 64 GLU N 1.0 -68.5 -8.5 PSI 93 93 A 63 PHE C A 64 GLU N A 64 GLU CA A 64 GLU C 1.0 -95.5 -35.5 PHI 94 94 A 64 GLU N A 64 GLU CA A 64 GLU C A 65 ASP N 1.0 -73.6 -13.6 PSI 95 95 A 64 GLU C A 65 ASP N A 65 ASP CA A 65 ASP C 1.0 -96.3 -36.3 PHI 96 96 A 65 ASP N A 65 ASP CA A 65 ASP C A 66 MET N 1.0 -67.6 -7.6 PSI 97 97 A 65 ASP C A 66 MET N A 66 MET CA A 66 MET C 1.0 -98.8 -38.8 PHI 98 98 A 66 MET N A 66 MET CA A 66 MET C A 67 ALA N 1.0 -70.2 -10.2 PSI 99 99 A 66 MET C A 67 ALA N A 67 ALA CA A 67 ALA C 1.0 -95.8 -35.8 PHI 100 100 A 67 ALA N A 67 ALA CA A 67 ALA C A 68 LYS N 1.0 -68.6 -8.6 PSI 101 101 A 67 ALA C A 68 LYS N A 68 LYS CA A 68 LYS C 1.0 -94.9 -34.9 PHI 102 102 A 68 LYS N A 68 LYS CA A 68 LYS C A 69 ALA N 1.0 -74.9 -14.9 PSI 103 103 A 68 LYS C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -92.7 -32.7 PHI 104 104 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 ASP N 1.0 -72.2 -12.2 PSI 105 105 A 69 ALA C A 70 ASP N A 70 ASP CA A 70 ASP C 1.0 -93.5 -33.5 PHI 106 106 A 70 ASP N A 70 ASP CA A 70 ASP C A 71 LYS N 1.0 -71.7 -11.7 PSI 107 107 A 70 ASP C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -89.9 -29.9 PHI 108 108 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 ALA N 1.0 -71.8 -11.8 PSI 109 109 A 71 LYS C A 72 ALA N A 72 ALA CA A 72 ALA C 1.0 -91.3 -31.3 PHI 110 110 A 72 ALA N A 72 ALA CA A 72 ALA C A 73 ARG N 1.0 -71.4 -11.4 PSI 111 111 A 72 ALA C A 73 ARG N A 73 ARG CA A 73 ARG C 1.0 -96.6 -36.6 PHI 112 112 A 73 ARG N A 73 ARG CA A 73 ARG C A 74 TYR N 1.0 -68.8 -8.8 PSI 113 113 A 73 ARG C A 74 TYR N A 74 TYR CA A 74 TYR C 1.0 -96.7 -36.7 PHI 114 114 A 74 TYR N A 74 TYR CA A 74 TYR C A 75 GLU N 1.0 -72.3 -12.3 PSI 115 115 A 74 TYR C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -90.0 -30.0 PHI 116 116 A 75 GLU N A 75 GLU CA A 75 GLU C A 76 ARG N 1.0 -74.0 -14.0 PSI 117 117 A 75 GLU C A 76 ARG N A 76 ARG CA A 76 ARG C 1.0 -94.4 -34.4 PHI 118 118 A 76 ARG N A 76 ARG CA A 76 ARG C A 77 GLU N 1.0 -71.5 -11.5 PSI 119 119 A 76 ARG C A 77 GLU N A 77 GLU CA A 77 GLU C 1.0 -94.0 -34.0 PHI 120 120 A 77 GLU N A 77 GLU CA A 77 GLU C A 78 MET N 1.0 -74.1 -14.1 PSI 121 121 A 77 GLU C A 78 MET N A 78 MET CA A 78 MET C 1.0 -96.1 -36.1 PHI 122 122 A 78 MET N A 78 MET CA A 78 MET C A 79 LYS N 1.0 -62.5 -2.5 PSI 123 123 A 78 MET C A 79 LYS N A 79 LYS CA A 79 LYS C 1.0 -96.5 -36.5 PHI 124 124 A 79 LYS N A 79 LYS CA A 79 LYS C A 80 THR N 1.0 -61.8 -1.8 PSI 125 125 A 79 LYS C A 80 THR N A 80 THR CA A 80 THR C 1.0 -137.1 -77.1 PHI 126 126 A 80 THR N A 80 THR CA A 80 THR C A 81 TYR N 1.0 -34.7 25.3 PSI 127 127 A 80 THR C A 81 TYR N A 81 TYR CA A 81 TYR C 1.0 -114.8 -54.8 PHI 128 128 A 81 TYR N A 81 TYR CA A 81 TYR C A 82 ILE N 1.0 99.5 159.5 PSI 129 129 A 81 TYR C A 82 ILE N A 82 ILE CA A 82 ILE C 1.0 -132.9 -72.9 PHI 130 130 A 82 ILE N A 82 ILE CA A 82 ILE C A 83 PRO N 1.0 94.9 154.9 PSI 131 131 A 83 PRO N A 83 PRO CA A 83 PRO C A 84 PRO N 1.0 120.2 180.2 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_2 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_2 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 13 ARG C A 14 GLY H 1.0 . . . 2 2 A 15 LYS C A 16 MET H 1.0 . . . 3 3 A 16 MET C A 17 SER H 1.0 . . . 4 4 A 17 SER C A 18 SER H 1.0 . . . 5 5 A 18 SER C A 19 TYR H 1.0 . . . 6 6 A 23 VAL C A 24 GLN H 1.0 . . . 7 7 A 24 GLN C A 25 THR H 1.0 . . . 8 8 A 25 THR C A 26 CYS H 1.0 . . . 9 9 A 28 GLU C A 29 GLU H 1.0 . . . 10 10 A 31 LYS C A 32 LYS H 1.0 . . . 11 11 A 32 LYS C A 33 LYS H 1.0 . . . 12 12 A 37 ALA C A 38 SER H 1.0 . . . 13 13 A 38 SER C A 39 VAL H 1.0 . . . 14 14 A 39 VAL C A 40 ASN H 1.0 . . . 15 15 A 40 ASN C A 41 PHE H 1.0 . . . 16 16 A 41 PHE C A 42 SER H 1.0 . . . 17 17 A 42 SER C A 43 GLU H 1.0 . . . 18 18 A 43 GLU C A 44 PHE H 1.0 . . . 19 19 A 44 PHE C A 45 SER H 1.0 . . . 20 20 A 47 LYS C A 48 CYS H 1.0 . . . 21 21 A 48 CYS C A 49 SER H 1.0 . . . 22 22 A 49 SER C A 50 GLU H 1.0 . . . 23 23 A 50 GLU C A 51 ARG H 1.0 . . . 24 24 A 51 ARG C A 52 TRP H 1.0 . . . 25 25 A 55 MET C A 56 SER H 1.0 . . . 26 26 A 56 SER C A 57 ALA H 1.0 . . . 27 27 A 59 GLU C A 60 LYS H 1.0 . . . 28 28 A 13 ARG C A 14 GLY N 1.0 . . . 29 29 A 15 LYS C A 16 MET N 1.0 . . . 30 30 A 16 MET C A 17 SER N 1.0 . . . 31 31 A 17 SER C A 18 SER N 1.0 . . . 32 32 A 18 SER C A 19 TYR N 1.0 . . . 33 33 A 23 VAL C A 24 GLN N 1.0 . . . 34 34 A 24 GLN C A 25 THR N 1.0 . . . 35 35 A 25 THR C A 26 CYS N 1.0 . . . 36 36 A 28 GLU C A 29 GLU N 1.0 . . . 37 37 A 31 LYS C A 32 LYS N 1.0 . . . 38 38 A 32 LYS C A 33 LYS N 1.0 . . . 39 39 A 37 ALA C A 38 SER N 1.0 . . . 40 40 A 38 SER C A 39 VAL N 1.0 . . . 41 41 A 39 VAL C A 40 ASN N 1.0 . . . 42 42 A 40 ASN C A 41 PHE N 1.0 . . . 43 43 A 41 PHE C A 42 SER N 1.0 . . . 44 44 A 42 SER C A 43 GLU N 1.0 . . . 45 45 A 43 GLU C A 44 PHE N 1.0 . . . 46 46 A 44 PHE C A 45 SER N 1.0 . . . 47 47 A 47 LYS C A 48 CYS N 1.0 . . . 48 48 A 48 CYS C A 49 SER N 1.0 . . . 49 49 A 49 SER C A 50 GLU N 1.0 . . . 50 50 A 50 GLU C A 51 ARG N 1.0 . . . 51 51 A 51 ARG C A 52 TRP N 1.0 . . . 52 52 A 55 MET C A 56 SER N 1.0 . . . 53 53 A 56 SER C A 57 ALA N 1.0 . . . 54 54 A 59 GLU C A 60 LYS N 1.0 . . . 55 55 A 14 GLY N A 14 GLY H 1.0 . . . 56 56 A 16 MET N A 16 MET H 1.0 . . . 57 57 A 17 SER N A 17 SER H 1.0 . . . 58 58 A 18 SER N A 18 SER H 1.0 . . . 59 59 A 19 TYR N A 19 TYR H 1.0 . . . 60 60 A 20 ALA N A 20 ALA H 1.0 . . . 61 61 A 21 PHE N A 21 PHE H 1.0 . . . 62 62 A 23 VAL N A 23 VAL H 1.0 . . . 63 63 A 24 GLN N A 24 GLN H 1.0 . . . 64 64 A 25 THR N A 25 THR H 1.0 . . . 65 65 A 26 CYS N A 26 CYS H 1.0 . . . 66 66 A 27 ARG N A 27 ARG H 1.0 . . . 67 67 A 29 GLU N A 29 GLU H 1.0 . . . 68 68 A 30 HIS N A 30 HIS H 1.0 . . . 69 69 A 31 LYS N A 31 LYS H 1.0 . . . 70 70 A 32 LYS N A 32 LYS H 1.0 . . . 71 71 A 33 LYS N A 33 LYS H 1.0 . . . 72 72 A 34 HIS N A 34 HIS H 1.0 . . . 73 73 A 36 ASP N A 36 ASP H 1.0 . . . 74 74 A 38 SER N A 38 SER H 1.0 . . . 75 75 A 39 VAL N A 39 VAL H 1.0 . . . 76 76 A 40 ASN N A 40 ASN H 1.0 . . . 77 77 A 41 PHE N A 41 PHE H 1.0 . . . 78 78 A 42 SER N A 42 SER H 1.0 . . . 79 79 A 43 GLU N A 43 GLU H 1.0 . . . 80 80 A 44 PHE N A 44 PHE H 1.0 . . . 81 81 A 45 SER N A 45 SER H 1.0 . . . 82 82 A 47 LYS N A 47 LYS H 1.0 . . . 83 83 A 48 CYS N A 48 CYS H 1.0 . . . 84 84 A 49 SER N A 49 SER H 1.0 . . . 85 85 A 50 GLU N A 50 GLU H 1.0 . . . 86 86 A 51 ARG N A 51 ARG H 1.0 . . . 87 87 A 52 TRP N A 52 TRP H 1.0 . . . 88 88 A 56 SER N A 56 SER H 1.0 . . . 89 89 A 57 ALA N A 57 ALA H 1.0 . . . 90 90 A 58 LYS N A 58 LYS H 1.0 . . . 91 91 A 60 LYS N A 60 LYS H 1.0 . . . 92 92 A 65 ASP N A 65 ASP H 1.0 . . . 93 93 A 66 MET N A 66 MET H 1.0 . . . 94 94 A 71 LYS N A 71 LYS H 1.0 . . . 95 95 A 72 ALA N A 72 ALA H 1.0 . . . 96 96 A 73 ARG N A 73 ARG H 1.0 . . . 97 97 A 75 GLU N A 75 GLU H 1.0 . . . 98 98 A 76 ARG N A 76 ARG H 1.0 . . . 99 99 A 77 GLU N A 77 GLU H 1.0 . . . 100 100 A 78 MET N A 78 MET H 1.0 . . . 101 101 A 79 LYS N A 79 LYS H 1.0 . . . stop_ save_