data_nef_c30066_5jdx save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5JDX stop_ 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 36 SER OG 2 1 PNS P24 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 MET start . . 2 A 2 LEU middle . . 3 A 3 GLU middle . . 4 A 4 SER middle . . 5 A 5 LYS middle . . 6 A 6 LEU middle . . 7 A 7 ILE middle . . 8 A 8 ASN middle . . 9 A 9 HIS middle . . 10 A 10 ILE middle . . 11 A 11 ALA middle . . 12 A 12 THR middle . . 13 A 13 GLN middle . . 14 A 14 PHE middle . . 15 A 15 LEU middle . . 16 A 16 ASP middle . . 17 A 17 GLY middle . false 18 A 18 GLU middle . . 19 A 19 LYS middle . . 20 A 20 ASP middle . . 21 A 21 GLY middle . false 22 A 22 LEU middle . . 23 A 23 ASP middle . . 24 A 24 SER middle . . 25 A 25 GLN middle . . 26 A 26 THR middle . . 27 A 27 PRO middle . false 28 A 28 LEU middle . . 29 A 29 PHE middle . . 30 A 30 GLU middle . . 31 A 31 LEU middle . . 32 A 32 ASN middle . . 33 A 33 ILE middle . . 34 A 34 VAL middle . . 35 A 35 ASP middle . . 36 A 36 SER middle . . 37 A 37 ALA middle . . 38 A 38 ALA middle . . 39 A 39 ILE middle . . 40 A 40 PHE middle . . 41 A 41 ASP middle . . 42 A 42 LEU middle . . 43 A 43 VAL middle . . 44 A 44 ASP middle . . 45 A 45 PHE middle . . 46 A 46 LEU middle . . 47 A 47 ARG middle . . 48 A 48 GLN middle . . 49 A 49 GLU middle . . 50 A 50 SER middle . . 51 A 51 LYS middle . . 52 A 52 VAL middle . . 53 A 53 SER middle . . 54 A 54 ILE middle . . 55 A 55 GLY middle . false 56 A 56 MET middle . . 57 A 57 GLN middle . . 58 A 58 GLU middle . . 59 A 59 ILE middle . . 60 A 60 HIS middle . . 61 A 61 PRO middle . false 62 A 62 ALA middle . . 63 A 63 ASN middle . . 64 A 64 PHE middle . . 65 A 65 ALA middle . . 66 A 66 THR middle . . 67 A 67 VAL middle . . 68 A 68 GLN middle . . 69 A 69 SER middle . . 70 A 70 MET middle . . 71 A 71 VAL middle . . 72 A 72 ALA middle . . 73 A 73 LEU middle . . 74 A 74 VAL middle . . 75 A 75 GLN middle . . 76 A 76 ARG middle . . 77 A 77 LEU middle . . 78 A 78 LYS middle . . 79 A 79 ALA middle . . 80 A 80 HIS middle . . 81 A 81 PRO middle . false 82 A 82 GLU middle . . 83 A 83 GLN middle . . 84 A 84 GLY middle . false 85 A 85 GLY middle . false 86 A 86 ALA middle . . 87 A 87 ALA middle . . 88 A 88 LEU middle . . 89 A 89 GLU end . . 90 B 1 PNS . . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 LEU HBx H 1 1.736 0.001 A 2 LEU HBy H 1 1.736 0.001 A 2 LEU HDx% H 1 0.946 0.001 A 2 LEU HDy% H 1 0.946 0.001 A 2 LEU HG H 1 1.594 0.001 A 2 LEU C C 13 177.894 0.000 A 2 LEU CB C 13 41.429 0.012 A 2 LEU CDx C 13 22.709 0.021 A 2 LEU CG C 13 26.777 0.076 A 3 GLU H H 1 9.492 0.009 A 3 GLU HA H 1 3.611 0.001 A 3 GLU HBx H 1 1.919 0.001 A 3 GLU HBy H 1 2.133 0.000 A 3 GLU HGx H 1 2.134 0.001 A 3 GLU HGy H 1 2.221 0.002 A 3 GLU C C 13 177.528 0.000 A 3 GLU CA C 13 60.978 0.018 A 3 GLU CB C 13 29.812 0.024 A 3 GLU CG C 13 36.979 0.018 A 3 GLU N N 15 118.210 0.011 A 4 SER H H 1 7.393 0.002 A 4 SER HA H 1 4.197 0.001 A 4 SER HBx H 1 3.978 0.000 A 4 SER HBy H 1 3.978 0.000 A 4 SER C C 13 177.171 0.000 A 4 SER CA C 13 61.133 0.036 A 4 SER CB C 13 62.484 0.016 A 4 SER N N 15 111.933 0.008 A 5 LYS H H 1 7.981 0.012 A 5 LYS HA H 1 4.172 0.005 A 5 LYS HBy H 1 2.133 0.002 A 5 LYS HBx H 1 1.962 0.000 A 5 LYS HDx H 1 1.592 0.001 A 5 LYS HDy H 1 1.646 0.001 A 5 LYS HEx H 1 2.930 0.004 A 5 LYS HEy H 1 2.930 0.004 A 5 LYS HGx H 1 1.513 0.001 A 5 LYS HGy H 1 1.723 0.001 A 5 LYS C C 13 180.256 0.000 A 5 LYS CA C 13 59.510 0.025 A 5 LYS CB C 13 32.700 0.096 A 5 LYS CD C 13 29.334 0.013 A 5 LYS CE C 13 41.978 0.015 A 5 LYS CG C 13 25.569 0.018 A 5 LYS N N 15 121.880 0.028 A 6 LEU H H 1 8.811 0.008 A 6 LEU HA H 1 3.979 0.006 A 6 LEU HBy H 1 2.063 0.000 A 6 LEU HBx H 1 1.508 0.001 A 6 LEU HDx% H 1 1.091 0.001 A 6 LEU HDy% H 1 1.026 0.000 A 6 LEU HG H 1 1.770 0.001 A 6 LEU C C 13 178.305 0.000 A 6 LEU CA C 13 58.138 0.010 A 6 LEU CB C 13 43.398 0.037 A 6 LEU CDx C 13 24.676 0.012 A 6 LEU CDy C 13 26.181 0.044 A 6 LEU CG C 13 28.141 0.017 A 6 LEU N N 15 121.280 0.028 A 7 ILE H H 1 8.302 0.010 A 7 ILE HA H 1 3.448 0.004 A 7 ILE HB H 1 1.932 0.000 A 7 ILE HD1% H 1 0.768 0.001 A 7 ILE HG1y H 1 1.878 0.001 A 7 ILE HG1x H 1 0.859 0.001 A 7 ILE HG2% H 1 0.855 0.002 A 7 ILE C C 13 177.172 0.000 A 7 ILE CA C 13 65.996 0.077 A 7 ILE CB C 13 37.672 0.036 A 7 ILE CD1 C 13 12.950 0.004 A 7 ILE CG1 C 13 30.721 0.082 A 7 ILE CG2 C 13 16.440 0.022 A 7 ILE N N 15 120.231 0.002 A 8 ASN H H 1 8.027 0.010 A 8 ASN HA H 1 4.325 0.000 A 8 ASN HBx H 1 2.822 0.009 A 8 ASN HBy H 1 2.822 0.009 A 8 ASN HD2x H 1 6.938 0.001 A 8 ASN HD2y H 1 7.633 0.002 A 8 ASN C C 13 177.554 0.000 A 8 ASN CA C 13 56.543 0.003 A 8 ASN CB C 13 38.336 0.003 A 8 ASN N N 15 116.348 0.008 A 8 ASN ND2 N 15 112.546 0.028 A 9 HIS H H 1 8.221 0.014 A 9 HIS HA H 1 4.081 0.010 A 9 HIS HBx H 1 2.624 0.009 A 9 HIS HBy H 1 2.624 0.009 A 9 HIS HD2 H 1 5.995 0.000 A 9 HIS C C 13 176.453 0.000 A 9 HIS CA C 13 60.020 0.030 A 9 HIS CB C 13 30.275 0.051 A 9 HIS CD2 C 13 117.070 0.008 A 9 HIS CE1 C 13 138.207 0.005 A 9 HIS N N 15 120.853 0.018 A 10 ILE H H 1 8.555 0.011 A 10 ILE HA H 1 3.532 0.001 A 10 ILE HB H 1 1.835 0.002 A 10 ILE HD1% H 1 0.744 0.001 A 10 ILE HG1y H 1 1.857 0.000 A 10 ILE HG1x H 1 0.979 0.001 A 10 ILE HG2% H 1 0.833 0.002 A 10 ILE C C 13 178.014 0.000 A 10 ILE CA C 13 64.792 0.012 A 10 ILE CB C 13 37.888 0.003 A 10 ILE CD1 C 13 14.308 0.022 A 10 ILE CG1 C 13 30.709 0.005 A 10 ILE CG2 C 13 17.655 0.019 A 10 ILE N N 15 118.773 0.007 A 11 ALA H H 1 8.488 0.006 A 11 ALA HA H 1 3.950 0.000 A 11 ALA HB% H 1 1.232 0.001 A 11 ALA C C 13 180.958 0.000 A 11 ALA CA C 13 55.055 0.010 A 11 ALA CB C 13 18.495 0.003 A 11 ALA N N 15 120.579 0.002 A 12 THR H H 1 8.064 0.003 A 12 THR HA H 1 3.578 0.001 A 12 THR HB H 1 4.075 0.000 A 12 THR HG2% H 1 1.143 0.001 A 12 THR C C 13 175.479 0.000 A 12 THR CA C 13 66.310 0.015 A 12 THR CB C 13 69.101 0.031 A 12 THR CG2 C 13 21.389 0.017 A 12 THR N N 15 112.572 0.012 A 13 GLN H H 1 8.288 0.003 A 13 GLN HA H 1 3.774 0.001 A 13 GLN HBx H 1 0.780 0.005 A 13 GLN HBy H 1 0.908 0.002 A 13 GLN HE2x H 1 6.685 0.000 A 13 GLN HE2y H 1 7.183 0.000 A 13 GLN HGx H 1 1.205 0.005 A 13 GLN HGy H 1 1.519 0.002 A 13 GLN C C 13 177.584 0.000 A 13 GLN CA C 13 57.249 0.028 A 13 GLN CB C 13 28.403 0.019 A 13 GLN CG C 13 32.602 0.004 A 13 GLN N N 15 118.479 0.001 A 13 GLN NE2 N 15 112.379 0.019 A 14 PHE H H 1 7.967 0.009 A 14 PHE HA H 1 4.984 0.006 A 14 PHE HBy H 1 3.422 0.001 A 14 PHE HBx H 1 2.755 0.002 A 14 PHE HDx H 1 7.309 0.000 A 14 PHE HDy H 1 7.309 0.000 A 14 PHE HEx H 1 7.199 0.000 A 14 PHE HEy H 1 7.199 0.000 A 14 PHE HZ H 1 7.341 0.000 A 14 PHE C C 13 176.488 0.000 A 14 PHE CA C 13 57.698 0.075 A 14 PHE CB C 13 40.780 0.037 A 14 PHE CDx C 13 132.103 0.016 A 14 PHE CEx C 13 130.589 0.000 A 14 PHE CZ C 13 130.065 0.000 A 14 PHE N N 15 112.533 0.003 A 15 LEU H H 1 7.113 0.009 A 15 LEU HA H 1 4.857 0.005 A 15 LEU HBy H 1 2.071 0.001 A 15 LEU HBx H 1 1.919 0.001 A 15 LEU HDx% H 1 0.911 0.002 A 15 LEU HDy% H 1 0.930 0.001 A 15 LEU HG H 1 1.480 0.001 A 15 LEU C C 13 177.858 0.000 A 15 LEU CA C 13 53.849 0.000 A 15 LEU CB C 13 42.684 0.022 A 15 LEU CDy C 13 26.538 0.000 A 15 LEU CDx C 13 23.264 0.007 A 15 LEU CG C 13 26.563 0.054 A 15 LEU N N 15 118.725 0.001 A 16 ASP H H 1 8.879 0.008 A 16 ASP HA H 1 4.383 0.002 A 16 ASP HBx H 1 2.546 0.002 A 16 ASP HBy H 1 2.995 0.003 A 16 ASP C C 13 175.840 0.000 A 16 ASP CA C 13 55.424 0.003 A 16 ASP CB C 13 40.042 0.052 A 16 ASP N N 15 120.588 0.008 A 17 GLY H H 1 8.456 0.009 A 17 GLY HAx H 1 3.138 0.000 A 17 GLY HAy H 1 4.204 0.005 A 17 GLY C C 13 174.033 0.000 A 17 GLY CA C 13 45.124 0.013 A 17 GLY N N 15 103.653 0.006 A 18 GLU H H 1 7.583 0.006 A 18 GLU HA H 1 4.296 0.001 A 18 GLU HBy H 1 2.138 0.000 A 18 GLU HBx H 1 2.046 0.000 A 18 GLU HGx H 1 2.268 0.000 A 18 GLU HGy H 1 2.290 0.000 A 18 GLU C C 13 175.317 0.000 A 18 GLU CA C 13 56.043 0.025 A 18 GLU CB C 13 29.478 0.015 A 18 GLU CG C 13 35.957 0.049 A 18 GLU N N 15 122.058 0.004 A 19 LYS H H 1 8.238 0.009 A 19 LYS HA H 1 4.240 0.003 A 19 LYS HBx H 1 1.739 0.001 A 19 LYS HBy H 1 1.739 0.001 A 19 LYS HDx H 1 1.627 0.001 A 19 LYS HDy H 1 1.627 0.001 A 19 LYS HEx H 1 2.943 0.005 A 19 LYS HEy H 1 2.943 0.005 A 19 LYS HGy H 1 1.341 0.004 A 19 LYS HGx H 1 1.294 0.000 A 19 LYS C C 13 177.081 0.000 A 19 LYS CA C 13 56.248 0.046 A 19 LYS CB C 13 33.360 0.027 A 19 LYS CD C 13 29.160 0.037 A 19 LYS CE C 13 42.103 0.000 A 19 LYS CG C 13 24.771 0.015 A 19 LYS N N 15 122.538 0.058 A 20 ASP H H 1 8.493 0.006 A 20 ASP HA H 1 4.377 0.001 A 20 ASP HBx H 1 2.620 0.005 A 20 ASP HBy H 1 2.620 0.005 A 20 ASP C C 13 177.175 0.000 A 20 ASP CA C 13 56.336 0.014 A 20 ASP CB C 13 40.562 0.013 A 20 ASP N N 15 121.014 0.005 A 21 GLY H H 1 8.593 0.001 A 21 GLY HAx H 1 3.833 0.003 A 21 GLY HAy H 1 3.907 0.000 A 21 GLY C C 13 173.260 0.000 A 21 GLY CA C 13 45.236 0.018 A 21 GLY N N 15 110.572 0.007 A 22 LEU H H 1 7.530 0.007 A 22 LEU HA H 1 4.663 0.004 A 22 LEU HBy H 1 1.671 0.000 A 22 LEU HBx H 1 1.364 0.007 A 22 LEU HDx% H 1 0.855 0.002 A 22 LEU HDy% H 1 0.895 0.001 A 22 LEU HG H 1 1.448 0.002 A 22 LEU C C 13 174.491 0.000 A 22 LEU CA C 13 53.957 0.027 A 22 LEU CB C 13 43.523 0.015 A 22 LEU CDy C 13 26.459 0.039 A 22 LEU CDx C 13 24.224 0.016 A 22 LEU CG C 13 26.986 0.000 A 22 LEU N N 15 121.502 0.045 A 23 ASP H H 1 9.200 0.004 A 23 ASP HA H 1 4.672 0.000 A 23 ASP HBx H 1 2.679 0.000 A 23 ASP HBy H 1 3.119 0.007 A 23 ASP C C 13 176.779 0.000 A 23 ASP CA C 13 52.796 0.000 A 23 ASP CB C 13 42.653 0.038 A 23 ASP N N 15 125.001 0.000 A 24 SER H H 1 8.691 0.002 A 24 SER HA H 1 4.049 0.001 A 24 SER HBx H 1 3.888 0.000 A 24 SER HBy H 1 3.950 0.000 A 24 SER C C 13 173.145 0.000 A 24 SER CA C 13 61.311 0.006 A 24 SER CB C 13 62.603 0.037 A 24 SER N N 15 112.692 0.011 A 25 GLN H H 1 8.559 0.003 A 25 GLN HA H 1 4.606 0.004 A 25 GLN HBy H 1 2.247 0.001 A 25 GLN HBx H 1 1.946 0.000 A 25 GLN HE2x H 1 6.826 0.001 A 25 GLN HE2y H 1 7.412 0.000 A 25 GLN HGy H 1 2.318 0.000 A 25 GLN HGx H 1 2.221 0.002 A 25 GLN C C 13 175.796 0.000 A 25 GLN CA C 13 54.892 0.074 A 25 GLN CB C 13 29.937 0.061 A 25 GLN CG C 13 34.215 0.023 A 25 GLN N N 15 116.393 0.002 A 25 GLN NE2 N 15 111.655 0.033 A 26 THR H H 1 7.627 0.006 A 26 THR HA H 1 4.184 0.003 A 26 THR HB H 1 3.950 0.001 A 26 THR HG2% H 1 1.177 0.003 A 26 THR CA C 13 62.695 0.012 A 26 THR CB C 13 70.541 0.003 A 26 THR CG2 C 13 21.621 0.010 A 26 THR N N 15 121.529 0.018 A 27 PRO HA H 1 4.852 0.003 A 27 PRO HBx H 1 2.109 0.000 A 27 PRO HBy H 1 2.212 0.002 A 27 PRO HDy H 1 4.093 0.001 A 27 PRO HDx H 1 3.688 0.001 A 27 PRO HGx H 1 2.023 0.001 A 27 PRO HGy H 1 2.261 0.001 A 27 PRO C C 13 175.630 0.000 A 27 PRO CB C 13 30.233 0.013 A 27 PRO CD C 13 51.662 0.074 A 27 PRO CG C 13 27.719 0.026 A 28 LEU H H 1 8.227 0.008 A 28 LEU HA H 1 3.722 0.004 A 28 LEU HBy H 1 1.478 0.001 A 28 LEU HBx H 1 1.031 0.000 A 28 LEU HDx% H 1 0.695 0.002 A 28 LEU HDy% H 1 0.733 0.003 A 28 LEU HG H 1 1.839 0.001 A 28 LEU C C 13 178.911 0.000 A 28 LEU CA C 13 57.765 0.040 A 28 LEU CB C 13 42.043 0.027 A 28 LEU CDy C 13 25.918 0.045 A 28 LEU CDx C 13 22.830 0.019 A 28 LEU CG C 13 26.998 0.011 A 28 LEU N N 15 126.703 0.015 A 29 PHE H H 1 8.716 0.009 A 29 PHE HA H 1 4.612 0.000 A 29 PHE HBx H 1 3.091 0.002 A 29 PHE HBy H 1 3.159 0.000 A 29 PHE HDx H 1 7.264 0.002 A 29 PHE HDy H 1 7.264 0.002 A 29 PHE HEx H 1 7.178 0.004 A 29 PHE HEy H 1 7.178 0.004 A 29 PHE HZ H 1 6.902 0.000 A 29 PHE C C 13 180.195 0.000 A 29 PHE CA C 13 59.429 0.004 A 29 PHE CB C 13 38.260 0.008 A 29 PHE CDx C 13 131.564 0.037 A 29 PHE CEx C 13 131.150 0.021 A 29 PHE CZ C 13 128.628 0.016 A 29 PHE N N 15 116.614 0.006 A 30 GLU H H 1 7.716 0.011 A 30 GLU HA H 1 4.128 0.006 A 30 GLU HBy H 1 2.165 0.000 A 30 GLU HBx H 1 2.080 0.001 A 30 GLU HGx H 1 2.312 0.000 A 30 GLU HGy H 1 2.351 0.003 A 30 GLU C C 13 177.905 0.000 A 30 GLU CA C 13 58.871 0.006 A 30 GLU CB C 13 29.637 0.023 A 30 GLU CG C 13 36.379 0.050 A 30 GLU N N 15 120.945 0.013 A 31 LEU H H 1 7.325 0.007 A 31 LEU HA H 1 4.379 0.001 A 31 LEU HBy H 1 1.702 0.002 A 31 LEU HBx H 1 1.562 0.001 A 31 LEU HDx% H 1 0.851 0.002 A 31 LEU HDy% H 1 0.866 0.002 A 31 LEU HG H 1 1.720 0.000 A 31 LEU C C 13 176.147 0.000 A 31 LEU CA C 13 54.202 0.013 A 31 LEU CB C 13 41.829 0.007 A 31 LEU CDx C 13 22.269 0.036 A 31 LEU CDy C 13 25.757 0.048 A 31 LEU CG C 13 27.292 0.011 A 31 LEU N N 15 115.387 0.003 A 32 ASN H H 1 7.835 0.003 A 32 ASN HA H 1 4.306 0.001 A 32 ASN HBy H 1 3.034 0.005 A 32 ASN HBx H 1 2.800 0.001 A 32 ASN HD2x H 1 6.774 0.002 A 32 ASN HD2y H 1 7.483 0.000 A 32 ASN C C 13 174.323 0.000 A 32 ASN CA C 13 54.614 0.014 A 32 ASN CB C 13 36.974 0.007 A 32 ASN N N 15 114.042 0.009 A 32 ASN ND2 N 15 111.976 0.014 A 33 ILE H H 1 7.798 0.008 A 33 ILE HA H 1 3.824 0.000 A 33 ILE HB H 1 1.704 0.001 A 33 ILE HD1% H 1 0.740 0.002 A 33 ILE HG1x H 1 0.937 0.003 A 33 ILE HG1y H 1 1.389 0.001 A 33 ILE HG2% H 1 0.679 0.004 A 33 ILE C C 13 175.460 0.000 A 33 ILE CA C 13 63.097 0.001 A 33 ILE CB C 13 38.354 0.000 A 33 ILE CD1 C 13 13.762 0.003 A 33 ILE CG1 C 13 27.876 0.025 A 33 ILE CG2 C 13 17.479 0.006 A 33 ILE N N 15 116.983 0.001 A 34 VAL H H 1 6.941 0.009 A 34 VAL HA H 1 3.809 0.005 A 34 VAL HB H 1 1.418 0.001 A 34 VAL HGx% H 1 0.376 0.002 A 34 VAL HGy% H 1 0.165 0.001 A 34 VAL C C 13 173.675 0.000 A 34 VAL CA C 13 59.733 0.000 A 34 VAL CB C 13 33.622 0.022 A 34 VAL CGy C 13 21.630 0.014 A 34 VAL CGx C 13 20.123 0.002 A 34 VAL N N 15 112.635 0.005 A 35 ASP H H 1 7.435 0.007 A 35 ASP HA H 1 4.617 0.002 A 35 ASP HBy H 1 2.973 0.001 A 35 ASP HBx H 1 2.688 0.003 A 35 ASP C C 13 176.564 0.000 A 35 ASP CA C 13 52.355 0.021 A 35 ASP CB C 13 42.177 0.040 A 35 ASP N N 15 122.514 0.015 A 36 SER H H 1 8.862 0.004 A 36 SER HA H 1 4.003 0.002 A 36 SER HBx H 1 4.054 0.001 A 36 SER HBy H 1 4.054 0.001 A 36 SER C C 13 175.015 0.000 A 36 SER CA C 13 61.081 0.046 A 36 SER CB C 13 65.418 0.009 A 36 SER N N 15 115.138 0.001 A 37 ALA H H 1 8.164 0.003 A 37 ALA HA H 1 4.239 0.000 A 37 ALA HB% H 1 1.510 0.000 A 37 ALA C C 13 179.714 0.000 A 37 ALA CA C 13 54.732 0.014 A 37 ALA CB C 13 18.123 0.005 A 37 ALA N N 15 123.096 0.001 A 38 ALA H H 1 8.044 0.009 A 38 ALA HA H 1 4.372 0.000 A 38 ALA HB% H 1 1.344 0.000 A 38 ALA C C 13 179.130 0.000 A 38 ALA CA C 13 53.898 0.001 A 38 ALA CB C 13 19.036 0.024 A 38 ALA N N 15 121.112 0.009 A 39 ILE H H 1 7.584 0.009 A 39 ILE HA H 1 3.338 0.005 A 39 ILE HB H 1 1.484 0.003 A 39 ILE HD1% H 1 0.389 0.003 A 39 ILE HG1x H 1 0.567 0.003 A 39 ILE HG1y H 1 1.163 0.000 A 39 ILE HG2% H 1 -0.084 0.000 A 39 ILE C C 13 176.612 0.000 A 39 ILE CA C 13 65.053 0.001 A 39 ILE CB C 13 36.772 0.008 A 39 ILE CD1 C 13 12.589 0.000 A 39 ILE CG1 C 13 28.590 0.010 A 39 ILE CG2 C 13 16.444 0.015 A 39 ILE N N 15 117.010 0.015 A 40 PHE H H 1 7.377 0.006 A 40 PHE HA H 1 4.008 0.004 A 40 PHE HBx H 1 2.987 0.000 A 40 PHE HBy H 1 3.250 0.002 A 40 PHE HDx H 1 7.303 0.001 A 40 PHE HDy H 1 7.303 0.001 A 40 PHE HEx H 1 7.248 0.001 A 40 PHE HEy H 1 7.248 0.001 A 40 PHE C C 13 178.208 0.000 A 40 PHE CA C 13 62.123 0.011 A 40 PHE CB C 13 37.787 0.015 A 40 PHE CDx C 13 131.344 0.005 A 40 PHE CEx C 13 129.722 0.040 A 40 PHE N N 15 117.316 0.005 A 41 ASP H H 1 7.674 0.004 A 41 ASP HA H 1 4.571 0.001 A 41 ASP HBy H 1 3.163 0.004 A 41 ASP HBx H 1 2.952 0.001 A 41 ASP C C 13 179.173 0.000 A 41 ASP CA C 13 57.739 0.011 A 41 ASP CB C 13 41.520 0.015 A 41 ASP N N 15 120.835 0.000 A 42 LEU H H 1 8.140 0.003 A 42 LEU HA H 1 4.196 0.005 A 42 LEU HBy H 1 2.183 0.001 A 42 LEU HBx H 1 1.671 0.001 A 42 LEU HDx% H 1 0.976 0.002 A 42 LEU HDy% H 1 0.964 0.000 A 42 LEU HG H 1 2.048 0.000 A 42 LEU C C 13 178.939 0.000 A 42 LEU CA C 13 58.135 0.029 A 42 LEU CB C 13 41.439 0.036 A 42 LEU CDx C 13 22.838 0.008 A 42 LEU CDy C 13 25.550 0.000 A 42 LEU CG C 13 26.978 0.017 A 42 LEU N N 15 121.242 0.019 A 43 VAL H H 1 8.537 0.005 A 43 VAL HA H 1 3.571 0.000 A 43 VAL HB H 1 2.175 0.000 A 43 VAL HGx% H 1 0.951 0.001 A 43 VAL HGy% H 1 0.800 0.002 A 43 VAL C C 13 177.643 0.000 A 43 VAL CA C 13 67.211 0.066 A 43 VAL CB C 13 31.503 0.005 A 43 VAL CGx C 13 21.346 0.022 A 43 VAL CGy C 13 24.537 0.010 A 43 VAL N N 15 119.984 0.005 A 44 ASP H H 1 7.755 0.009 A 44 ASP HA H 1 4.485 0.000 A 44 ASP HBx H 1 2.775 0.003 A 44 ASP HBy H 1 2.867 0.001 A 44 ASP C C 13 178.457 0.000 A 44 ASP CA C 13 57.948 0.023 A 44 ASP CB C 13 40.762 0.012 A 44 ASP N N 15 120.054 0.008 A 45 PHE H H 1 8.281 0.006 A 45 PHE HA H 1 4.078 0.002 A 45 PHE HBx H 1 2.925 0.001 A 45 PHE HBy H 1 3.034 0.000 A 45 PHE HDx H 1 6.779 0.000 A 45 PHE HDy H 1 6.779 0.000 A 45 PHE HEx H 1 6.942 0.000 A 45 PHE HEy H 1 6.942 0.000 A 45 PHE HZ H 1 6.935 0.000 A 45 PHE C C 13 177.274 0.000 A 45 PHE CA C 13 61.826 0.008 A 45 PHE CB C 13 38.887 0.013 A 45 PHE CDx C 13 131.299 0.008 A 45 PHE CEx C 13 130.150 0.020 A 45 PHE CZ C 13 129.010 0.002 A 45 PHE N N 15 121.250 0.000 A 46 LEU H H 1 8.734 0.005 A 46 LEU HA H 1 3.797 0.001 A 46 LEU HBy H 1 2.054 0.000 A 46 LEU HBx H 1 1.279 0.002 A 46 LEU HDx% H 1 0.909 0.001 A 46 LEU HDy% H 1 0.973 0.001 A 46 LEU HG H 1 2.133 0.000 A 46 LEU C C 13 180.423 0.000 A 46 LEU CA C 13 58.029 0.013 A 46 LEU CB C 13 42.332 0.009 A 46 LEU CDy C 13 25.723 0.009 A 46 LEU CDx C 13 23.819 0.009 A 46 LEU CG C 13 26.580 0.000 A 46 LEU N N 15 118.763 0.002 A 47 ARG H H 1 8.736 0.008 A 47 ARG HA H 1 4.097 0.000 A 47 ARG HBx H 1 2.005 0.000 A 47 ARG HBy H 1 2.042 0.000 A 47 ARG HDy H 1 3.292 0.003 A 47 ARG HDx H 1 3.207 0.003 A 47 ARG HGy H 1 1.893 0.002 A 47 ARG HGx H 1 1.659 0.000 A 47 ARG C C 13 179.216 0.000 A 47 ARG CA C 13 60.195 0.000 A 47 ARG CB C 13 30.496 0.015 A 47 ARG CD C 13 43.789 0.031 A 47 ARG CG C 13 27.780 0.014 A 47 ARG N N 15 121.450 0.004 A 48 GLN H H 1 7.830 0.009 A 48 GLN HA H 1 3.982 0.000 A 48 GLN HBx H 1 2.024 0.002 A 48 GLN HBy H 1 2.089 0.001 A 48 GLN HE2x H 1 6.816 0.002 A 48 GLN HE2y H 1 7.509 0.003 A 48 GLN HGx H 1 2.289 0.000 A 48 GLN HGy H 1 2.362 0.000 A 48 GLN C C 13 177.671 0.000 A 48 GLN CA C 13 58.355 0.070 A 48 GLN CB C 13 28.960 0.038 A 48 GLN CG C 13 33.784 0.018 A 48 GLN N N 15 118.055 0.004 A 48 GLN NE2 N 15 112.355 0.013 A 49 GLU H H 1 8.233 0.006 A 49 GLU HA H 1 3.964 0.003 A 49 GLU HBy H 1 1.514 0.001 A 49 GLU HBx H 1 1.246 0.002 A 49 GLU HGy H 1 1.631 0.000 A 49 GLU HGx H 1 1.521 0.002 A 49 GLU C C 13 178.036 0.000 A 49 GLU CA C 13 57.591 0.014 A 49 GLU CB C 13 29.729 0.040 A 49 GLU CG C 13 35.439 0.041 A 49 GLU N N 15 116.277 0.003 A 50 SER H H 1 8.180 0.009 A 50 SER HA H 1 4.505 0.003 A 50 SER HBy H 1 3.826 0.001 A 50 SER HBx H 1 3.761 0.001 A 50 SER C C 13 174.236 0.000 A 50 SER CA C 13 59.519 0.062 A 50 SER CB C 13 65.584 0.012 A 50 SER N N 15 112.400 0.001 A 51 LYS H H 1 7.570 0.005 A 51 LYS HA H 1 4.037 0.002 A 51 LYS HBy H 1 2.043 0.001 A 51 LYS HBx H 1 1.909 0.000 A 51 LYS HDx H 1 1.561 0.000 A 51 LYS HDy H 1 1.622 0.000 A 51 LYS HEx H 1 2.963 0.000 A 51 LYS HEy H 1 2.963 0.000 A 51 LYS HGy H 1 1.286 0.000 A 51 LYS HGx H 1 1.252 0.013 A 51 LYS C C 13 175.445 0.000 A 51 LYS CA C 13 57.195 0.006 A 51 LYS CB C 13 28.656 0.044 A 51 LYS CD C 13 28.882 0.010 A 51 LYS CE C 13 42.386 0.000 A 51 LYS CG C 13 24.933 0.031 A 51 LYS N N 15 115.995 0.004 A 52 VAL H H 1 7.128 0.008 A 52 VAL HA H 1 4.457 0.002 A 52 VAL HB H 1 1.964 0.001 A 52 VAL HGx% H 1 0.830 0.002 A 52 VAL HGy% H 1 0.758 0.003 A 52 VAL C C 13 174.762 0.000 A 52 VAL CA C 13 59.437 0.026 A 52 VAL CB C 13 34.068 0.026 A 52 VAL CGy C 13 21.702 0.032 A 52 VAL CGx C 13 19.697 0.011 A 52 VAL N N 15 112.945 0.009 A 53 SER H H 1 8.424 0.005 A 53 SER HA H 1 4.479 0.000 A 53 SER HBy H 1 3.799 0.000 A 53 SER HBx H 1 3.717 0.001 A 53 SER C C 13 173.785 0.000 A 53 SER CA C 13 57.596 0.040 A 53 SER CB C 13 63.019 0.013 A 53 SER N N 15 118.677 0.003 A 54 ILE H H 1 8.107 0.009 A 54 ILE HA H 1 4.001 0.008 A 54 ILE HB H 1 1.660 0.001 A 54 ILE HD1% H 1 0.832 0.006 A 54 ILE HG1x H 1 0.778 0.001 A 54 ILE HG1y H 1 1.536 0.000 A 54 ILE HG2% H 1 0.866 0.004 A 54 ILE C C 13 174.968 0.000 A 54 ILE CA C 13 61.343 0.038 A 54 ILE CB C 13 39.158 0.028 A 54 ILE CD1 C 13 14.087 0.029 A 54 ILE CG1 C 13 27.586 0.077 A 54 ILE CG2 C 13 18.128 0.067 A 54 ILE N N 15 125.875 0.005 A 55 GLY H H 1 8.773 0.004 A 55 GLY HAy H 1 4.279 0.001 A 55 GLY HAx H 1 3.840 0.000 A 55 GLY C C 13 174.612 0.000 A 55 GLY CA C 13 44.436 0.006 A 55 GLY N N 15 115.471 0.005 A 56 MET H H 1 8.594 0.008 A 56 MET HA H 1 4.174 0.005 A 56 MET HBx H 1 2.108 0.000 A 56 MET HBy H 1 2.108 0.000 A 56 MET HE% H 1 2.125 0.001 A 56 MET HGx H 1 2.692 0.001 A 56 MET HGy H 1 2.740 0.001 A 56 MET C C 13 178.938 0.000 A 56 MET CA C 13 57.998 0.000 A 56 MET CB C 13 31.901 0.010 A 56 MET CE C 13 16.925 0.055 A 56 MET CG C 13 32.087 0.017 A 56 MET N N 15 118.281 0.013 A 57 GLN H H 1 9.052 0.009 A 57 GLN HA H 1 4.221 0.003 A 57 GLN HBx H 1 2.117 0.001 A 57 GLN HBy H 1 2.117 0.001 A 57 GLN HE2x H 1 6.938 0.001 A 57 GLN HE2y H 1 7.676 0.004 A 57 GLN HGx H 1 2.356 0.000 A 57 GLN HGy H 1 2.479 0.002 A 57 GLN C C 13 176.806 0.000 A 57 GLN CA C 13 57.853 0.051 A 57 GLN CB C 13 27.512 0.027 A 57 GLN CG C 13 33.637 0.057 A 57 GLN N N 15 117.059 0.009 A 57 GLN NE2 N 15 112.369 0.018 A 58 GLU H H 1 7.752 0.008 A 58 GLU HA H 1 4.615 0.001 A 58 GLU HBy H 1 2.248 0.001 A 58 GLU HBx H 1 1.936 0.000 A 58 GLU HGy H 1 2.308 0.000 A 58 GLU HGx H 1 2.252 0.001 A 58 GLU C C 13 176.962 0.000 A 58 GLU CA C 13 55.043 0.019 A 58 GLU CB C 13 29.726 0.030 A 58 GLU CG C 13 34.727 0.026 A 58 GLU N N 15 114.986 0.009 A 59 ILE H H 1 7.530 0.008 A 59 ILE HA H 1 3.935 0.008 A 59 ILE HB H 1 2.045 0.000 A 59 ILE HD1% H 1 0.788 0.002 A 59 ILE HG1y H 1 1.779 0.002 A 59 ILE HG1x H 1 0.694 0.004 A 59 ILE HG2% H 1 0.422 0.001 A 59 ILE C C 13 172.837 0.000 A 59 ILE CA C 13 61.438 0.042 A 59 ILE CB C 13 35.468 0.031 A 59 ILE CD1 C 13 13.412 0.021 A 59 ILE CG1 C 13 26.873 0.040 A 59 ILE CG2 C 13 17.743 0.015 A 59 ILE N N 15 121.204 0.007 A 60 HIS H H 1 7.477 0.009 A 60 HIS HA H 1 4.896 0.009 A 60 HIS HBx H 1 3.100 0.009 A 60 HIS HBy H 1 3.100 0.009 A 60 HIS HD2 H 1 7.063 0.001 A 60 HIS HE1 H 1 7.636 0.000 A 60 HIS CA C 13 53.939 0.046 A 60 HIS CB C 13 31.115 0.006 A 60 HIS CD2 C 13 119.275 0.011 A 60 HIS CE1 C 13 138.762 0.002 A 60 HIS N N 15 123.264 0.008 A 61 PRO HA H 1 4.008 0.000 A 61 PRO HBx H 1 1.827 0.000 A 61 PRO HBy H 1 1.928 0.000 A 61 PRO HDx H 1 3.494 0.007 A 61 PRO HDy H 1 3.761 0.000 A 61 PRO HGx H 1 1.670 0.002 A 61 PRO HGy H 1 2.023 0.006 A 61 PRO C C 13 177.715 0.000 A 61 PRO CA C 13 66.424 0.012 A 61 PRO CB C 13 32.188 0.088 A 61 PRO CD C 13 51.032 0.007 A 61 PRO CG C 13 27.718 0.034 A 62 ALA H H 1 9.058 0.004 A 62 ALA HA H 1 4.248 0.000 A 62 ALA HB% H 1 1.510 0.001 A 62 ALA C C 13 180.367 0.000 A 62 ALA CA C 13 55.087 0.000 A 62 ALA CB C 13 18.197 0.021 A 62 ALA N N 15 119.107 0.017 A 63 ASN H H 1 7.486 0.007 A 63 ASN HA H 1 4.574 0.000 A 63 ASN HBy H 1 2.540 0.000 A 63 ASN HBx H 1 2.318 0.000 A 63 ASN HD2x H 1 7.281 0.000 A 63 ASN C C 13 174.021 0.000 A 63 ASN CA C 13 53.842 0.005 A 63 ASN CB C 13 39.809 0.012 A 63 ASN N N 15 112.643 0.010 A 63 ASN ND2 N 15 116.245 0.014 A 64 PHE H H 1 7.394 0.013 A 64 PHE HA H 1 4.348 0.002 A 64 PHE HBy H 1 3.461 0.001 A 64 PHE HBx H 1 2.396 0.000 A 64 PHE HDx H 1 7.439 0.001 A 64 PHE HDy H 1 7.439 0.001 A 64 PHE HEx H 1 7.128 0.003 A 64 PHE HEy H 1 7.128 0.003 A 64 PHE HZ H 1 6.821 0.000 A 64 PHE C C 13 172.723 0.000 A 64 PHE CA C 13 57.221 0.010 A 64 PHE CB C 13 40.070 0.022 A 64 PHE CDx C 13 132.169 0.006 A 64 PHE CEx C 13 130.315 0.012 A 64 PHE CZ C 13 128.892 0.015 A 64 PHE N N 15 115.058 0.023 A 65 ALA H H 1 6.895 0.009 A 65 ALA HA H 1 3.987 0.003 A 65 ALA HB% H 1 1.606 0.000 A 65 ALA C C 13 178.202 0.000 A 65 ALA CA C 13 55.075 0.017 A 65 ALA CB C 13 20.279 0.015 A 65 ALA N N 15 118.350 0.009 A 66 THR H H 1 7.701 0.003 A 66 THR HA H 1 4.579 0.002 A 66 THR HG2% H 1 1.131 0.009 A 66 THR C C 13 174.641 0.000 A 66 THR CA C 13 58.311 0.004 A 66 THR CG2 C 13 22.350 0.015 A 66 THR N N 15 101.151 0.002 A 67 VAL H H 1 10.085 0.007 A 67 VAL HA H 1 3.779 0.001 A 67 VAL HB H 1 2.155 0.001 A 67 VAL HGx% H 1 1.041 0.000 A 67 VAL HGy% H 1 1.050 0.000 A 67 VAL C C 13 177.633 0.000 A 67 VAL CA C 13 67.525 0.019 A 67 VAL CB C 13 32.002 0.014 A 67 VAL CGy C 13 23.647 0.014 A 67 VAL CGx C 13 21.520 0.004 A 67 VAL N N 15 123.718 0.001 A 68 GLN H H 1 8.801 0.005 A 68 GLN HA H 1 4.002 0.002 A 68 GLN HBx H 1 2.037 0.001 A 68 GLN HBy H 1 2.037 0.001 A 68 GLN HE2x H 1 6.760 0.002 A 68 GLN HE2y H 1 7.566 0.001 A 68 GLN HGy H 1 2.393 0.001 A 68 GLN HGx H 1 2.290 0.010 A 68 GLN C C 13 178.668 0.000 A 68 GLN CA C 13 59.620 0.039 A 68 GLN CB C 13 28.145 0.002 A 68 GLN CG C 13 33.713 0.037 A 68 GLN N N 15 119.163 0.011 A 68 GLN NE2 N 15 112.384 0.015 A 69 SER H H 1 8.578 0.008 A 69 SER HA H 1 4.163 0.000 A 69 SER HBx H 1 3.943 0.003 A 69 SER HBy H 1 4.002 0.000 A 69 SER C C 13 176.956 0.000 A 69 SER CA C 13 62.296 0.049 A 69 SER CB C 13 62.698 0.035 A 69 SER N N 15 117.225 0.001 A 70 MET H H 1 7.654 0.011 A 70 MET HA H 1 3.793 0.005 A 70 MET HBx H 1 2.325 0.001 A 70 MET HBy H 1 2.687 0.005 A 70 MET HE% H 1 2.008 0.002 A 70 MET HGx H 1 1.772 0.000 A 70 MET HGy H 1 2.506 0.001 A 70 MET C C 13 177.743 0.000 A 70 MET CA C 13 59.864 0.051 A 70 MET CB C 13 35.005 0.038 A 70 MET CE C 13 19.518 0.004 A 70 MET CG C 13 35.052 0.019 A 70 MET N N 15 124.810 0.018 A 71 VAL H H 1 8.254 0.002 A 71 VAL HA H 1 3.452 0.000 A 71 VAL HB H 1 2.157 0.000 A 71 VAL HGx% H 1 0.962 0.002 A 71 VAL HGy% H 1 0.942 0.001 A 71 VAL C C 13 178.183 0.000 A 71 VAL CA C 13 66.681 0.055 A 71 VAL CB C 13 31.460 0.019 A 71 VAL CGx C 13 21.311 0.008 A 71 VAL CGy C 13 22.758 0.008 A 71 VAL N N 15 119.271 0.003 A 72 ALA H H 1 8.226 0.007 A 72 ALA HA H 1 4.094 0.001 A 72 ALA HB% H 1 1.452 0.000 A 72 ALA C C 13 180.330 0.000 A 72 ALA CA C 13 54.817 0.003 A 72 ALA CB C 13 17.759 0.020 A 72 ALA N N 15 121.877 0.013 A 73 LEU H H 1 7.698 0.007 A 73 LEU HA H 1 4.011 0.000 A 73 LEU HBx H 1 1.304 0.000 A 73 LEU HBy H 1 2.207 0.001 A 73 LEU HDx% H 1 0.831 0.001 A 73 LEU HDy% H 1 0.634 0.002 A 73 LEU HG H 1 1.309 0.001 A 73 LEU C C 13 177.347 0.000 A 73 LEU CA C 13 58.183 0.018 A 73 LEU CB C 13 40.865 0.018 A 73 LEU CDx C 13 23.519 0.001 A 73 LEU CDy C 13 26.078 0.009 A 73 LEU CG C 13 27.183 0.016 A 73 LEU N N 15 120.924 0.007 A 74 VAL H H 1 7.625 0.012 A 74 VAL HA H 1 3.351 0.000 A 74 VAL HB H 1 2.139 0.000 A 74 VAL HGx% H 1 0.917 0.001 A 74 VAL HGy% H 1 1.054 0.000 A 74 VAL C C 13 177.498 0.000 A 74 VAL CA C 13 67.501 0.005 A 74 VAL CB C 13 31.413 0.014 A 74 VAL CGx C 13 21.526 0.014 A 74 VAL CGy C 13 23.660 0.008 A 74 VAL N N 15 117.342 0.013 A 75 GLN H H 1 8.238 0.004 A 75 GLN HA H 1 3.918 0.001 A 75 GLN HBx H 1 2.079 0.001 A 75 GLN HBy H 1 2.167 0.000 A 75 GLN HE2x H 1 6.867 0.001 A 75 GLN HE2y H 1 7.326 0.001 A 75 GLN HGx H 1 2.393 0.000 A 75 GLN HGy H 1 2.519 0.001 A 75 GLN C C 13 179.024 0.000 A 75 GLN CA C 13 58.921 0.000 A 75 GLN CB C 13 28.112 0.022 A 75 GLN CG C 13 33.891 0.025 A 75 GLN N N 15 116.779 0.005 A 75 GLN NE2 N 15 111.386 0.004 A 76 ARG H H 1 7.993 0.008 A 76 ARG HA H 1 4.194 0.000 A 76 ARG HBx H 1 1.961 0.000 A 76 ARG HBy H 1 1.961 0.000 A 76 ARG HDx H 1 3.195 0.002 A 76 ARG HDy H 1 3.268 0.001 A 76 ARG HGx H 1 1.634 0.000 A 76 ARG HGy H 1 1.716 0.000 A 76 ARG C C 13 178.808 0.000 A 76 ARG CA C 13 59.305 0.026 A 76 ARG CB C 13 29.882 0.006 A 76 ARG CD C 13 43.595 0.035 A 76 ARG CG C 13 27.262 0.041 A 76 ARG N N 15 119.349 0.011 A 77 LEU H H 1 8.153 0.008 A 77 LEU HA H 1 4.164 0.002 A 77 LEU HBx H 1 1.471 0.000 A 77 LEU HBy H 1 1.792 0.002 A 77 LEU HDx% H 1 0.875 0.001 A 77 LEU HDy% H 1 0.816 0.003 A 77 LEU HG H 1 1.941 0.000 A 77 LEU C C 13 179.424 0.000 A 77 LEU CA C 13 56.696 0.118 A 77 LEU CB C 13 41.437 0.009 A 77 LEU CDx C 13 21.956 0.022 A 77 LEU CDy C 13 26.614 0.023 A 77 LEU CG C 13 26.506 0.032 A 77 LEU N N 15 119.531 0.006 A 78 LYS H H 1 8.102 0.009 A 78 LYS HA H 1 4.081 0.000 A 78 LYS HBx H 1 1.782 0.001 A 78 LYS HBy H 1 1.823 0.001 A 78 LYS HDx H 1 1.602 0.000 A 78 LYS HDy H 1 1.602 0.000 A 78 LYS HEx H 1 2.932 0.002 A 78 LYS HEy H 1 2.932 0.002 A 78 LYS HGy H 1 1.585 0.001 A 78 LYS HGx H 1 1.397 0.000 A 78 LYS C C 13 176.983 0.000 A 78 LYS CA C 13 57.885 0.033 A 78 LYS CB C 13 32.625 0.007 A 78 LYS CD C 13 29.188 0.000 A 78 LYS CE C 13 41.902 0.016 A 78 LYS CG C 13 25.431 0.014 A 78 LYS N N 15 118.340 0.008 A 79 ALA H H 1 7.477 0.003 A 79 ALA HA H 1 4.213 0.000 A 79 ALA HB% H 1 1.354 0.000 A 79 ALA C C 13 177.246 0.000 A 79 ALA CA C 13 52.743 0.011 A 79 ALA CB C 13 19.116 0.042 A 79 ALA N N 15 121.017 0.003 A 80 HIS H H 1 7.939 0.009 A 80 HIS HA H 1 4.907 0.003 A 80 HIS HBx H 1 3.081 0.001 A 80 HIS HBy H 1 3.132 0.001 A 80 HIS HD2 H 1 7.144 0.001 A 80 HIS HE1 H 1 8.051 0.002 A 80 HIS CA C 13 54.151 0.000 A 80 HIS CB C 13 29.851 0.019 A 80 HIS CD2 C 13 120.799 0.004 A 80 HIS CE1 C 13 137.655 0.007 A 80 HIS N N 15 118.188 0.039 A 81 PRO HA H 1 4.458 0.004 A 81 PRO HBx H 1 1.930 0.000 A 81 PRO HBy H 1 2.311 0.000 A 81 PRO HDy H 1 3.622 0.000 A 81 PRO HDx H 1 3.463 0.004 A 81 PRO HGx H 1 1.965 0.002 A 81 PRO HGy H 1 1.965 0.002 A 81 PRO C C 13 177.488 0.000 A 81 PRO CA C 13 63.745 0.000 A 81 PRO CB C 13 32.017 0.016 A 81 PRO CD C 13 50.461 0.043 A 81 PRO CG C 13 27.284 0.045 A 82 GLU H H 1 8.949 0.005 A 82 GLU HA H 1 4.296 0.000 A 82 GLU HBx H 1 1.988 0.001 A 82 GLU HBy H 1 2.084 0.001 A 82 GLU HGx H 1 2.274 0.000 A 82 GLU HGy H 1 2.339 0.000 A 82 GLU C C 13 176.868 0.000 A 82 GLU CA C 13 56.854 0.000 A 82 GLU CB C 13 29.714 0.071 A 82 GLU CG C 13 36.306 0.016 A 82 GLU N N 15 120.872 0.004 A 83 GLN H H 1 8.380 0.010 A 83 GLN HA H 1 4.351 0.007 A 83 GLN HBy H 1 2.167 0.001 A 83 GLN HBx H 1 2.007 0.000 A 83 GLN HGx H 1 2.370 0.001 A 83 GLN HGy H 1 2.370 0.001 A 83 GLN C C 13 176.537 0.000 A 83 GLN CA C 13 55.924 0.031 A 83 GLN CB C 13 29.330 0.035 A 83 GLN CG C 13 33.810 0.025 A 83 GLN N N 15 121.066 0.019 A 84 GLY H H 1 8.417 0.001 A 84 GLY HAx H 1 3.974 0.000 A 84 GLY HAy H 1 3.974 0.000 A 84 GLY C C 13 174.683 0.000 A 84 GLY CA C 13 45.437 0.006 A 84 GLY N N 15 109.760 0.001 A 85 GLY H H 1 8.277 0.009 A 85 GLY HAx H 1 3.933 0.001 A 85 GLY HAy H 1 3.933 0.001 A 85 GLY C C 13 174.073 0.000 A 85 GLY CA C 13 45.329 0.033 A 85 GLY N N 15 108.784 0.013 A 86 ALA H H 1 8.184 0.000 A 86 ALA HA H 1 4.276 0.000 A 86 ALA HB% H 1 1.354 0.000 A 86 ALA C C 13 177.590 0.000 A 86 ALA CA C 13 52.517 0.000 A 86 ALA CB C 13 18.967 0.000 A 86 ALA N N 15 123.835 0.004 A 87 ALA H H 1 8.229 0.000 A 87 ALA HA H 1 4.252 0.000 A 87 ALA HB% H 1 1.347 0.000 A 87 ALA C C 13 177.741 0.000 A 87 ALA CA C 13 52.502 0.000 A 87 ALA CB C 13 19.131 0.000 A 87 ALA N N 15 122.841 0.002 A 88 LEU H H 1 8.090 0.009 A 88 LEU HA H 1 4.258 0.008 A 88 LEU HBx H 1 1.484 0.000 A 88 LEU HBy H 1 1.558 0.000 A 88 LEU HDx% H 1 0.877 0.003 A 88 LEU HDy% H 1 0.813 0.001 A 88 LEU HG H 1 1.562 0.001 A 88 LEU C C 13 177.390 0.000 A 88 LEU CA C 13 55.285 0.000 A 88 LEU CB C 13 42.262 0.029 A 88 LEU CDy C 13 24.885 0.034 A 88 LEU CDx C 13 23.446 0.018 A 88 LEU CG C 13 26.974 0.023 A 88 LEU N N 15 120.936 0.014 A 89 GLU H H 1 8.240 0.001 A 89 GLU N N 15 121.002 0.009 B 1 PNS H28y H 1 3.666 0.000 B 1 PNS H28x H 1 3.373 0.008 B 1 PNS H301 H 1 0.780 0.001 B 1 PNS H311 H 1 0.811 0.000 B 1 PNS H32 H 1 3.961 0.004 B 1 PNS H36 H 1 7.976 0.008 B 1 PNS H37x H 1 3.465 0.005 B 1 PNS H38x H 1 2.460 0.000 B 1 PNS H41 H 1 8.154 0.004 B 1 PNS H42x H 1 3.280 0.001 B 1 PNS H43x H 1 2.551 0.000 B 1 PNS C28 C 13 73.806 0.001 B 1 PNS C3x C 13 21.736 0.010 B 1 PNS C3y C 13 23.524 0.009 B 1 PNS C32 C 13 76.760 0.043 B 1 PNS C37 C 13 38.303 0.024 B 1 PNS C38 C 13 38.127 0.002 B 1 PNS C42 C 13 45.115 0.003 B 1 PNS C43 C 13 26.070 0.073 B 1 PNS N36 N 15 119.643 0.067 B 1 PNS N41 N 15 124.156 0.013 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 68 GLN HE2y A 68 GLN HBx 1.0 . 4.50 2 1 A 68 GLN HBy A 68 GLN HE2y 1.0 . 4.50 3 2 A 48 GLN HBy A 48 GLN HE2x 1.0 . 4.70 4 3 A 75 GLN HBy A 75 GLN HE2y 1.0 . 5.17 5 4 A 75 GLN HBy A 75 GLN HE2x 1.0 . 5.17 6 5 A 12 THR HA A 17 GLY H 1.0 . 3.63 7 6 A 17 GLY H A 13 GLN H 1.0 . 4.60 8 7 A 27 PRO HA A 28 LEU H 1.0 . 3.55 9 8 A 18 GLU HA A 19 LYS H 1.0 . 2.58 10 9 A 19 LYS H A 20 ASP HBx 1.0 . 4.32 11 9 A 19 LYS H A 20 ASP HBy 1.0 . 4.32 12 10 A 19 LYS H A 18 GLU HBx 1.0 . 4.37 13 11 A 19 LYS H A 19 LYS HBx 1.0 . 3.14 14 12 A 75 GLN H A 78 LYS HGy 1.0 . 4.67 15 13 A 86 ALA HB% A 87 ALA H 1.0 . 3.50 16 14 A 87 ALA H A 87 ALA HB% 1.0 . 3.27 17 15 A 9 HIS H A 11 ALA H 1.0 . 4.05 18 16 A 28 LEU H A 66 THR HA 1.0 . 3.94 19 17 A 9 HIS H A 8 ASN HBx 1.0 . 3.60 20 17 A 9 HIS H A 8 ASN HBy 1.0 . 3.60 21 18 A 9 HIS H A 9 HIS HBx 1.0 . 3.13 22 18 A 9 HIS H A 9 HIS HBy 1.0 . 3.13 23 19 A 71 VAL HB A 72 ALA H 1.0 . 4.00 24 20 A 28 LEU H A 27 PRO HBx 1.0 . 3.98 25 21 A 28 LEU H A 28 LEU HG 1.0 . 3.89 26 22 A 28 LEU H A 28 LEU HBy 1.0 . 3.71 27 23 A 28 LEU H A 66 THR HG2% 1.0 . 3.74 28 24 A 72 ALA H A 71 VAL HGx% 1.0 . 4.59 29 25 A 72 ALA H A 71 VAL HGy% 1.0 . 4.59 30 26 A 9 HIS H A 7 ILE HG2% 1.0 . 4.67 31 27 A 28 LEU H A 28 LEU HDx% 1.0 . 3.73 32 28 A 78 LYS H A 78 LYS HBx 1.0 . 3.03 33 29 A 78 LYS H A 78 LYS HGx 1.0 . 3.95 34 30 A 78 LYS HGy A 78 LYS H 1.0 . 3.75 35 31 A 78 LYS H A 77 LEU HDx% 1.0 . 3.77 36 32 A 87 ALA HA A 88 LEU H 1.0 . 3.03 37 33 A 87 ALA HB% A 88 LEU H 1.0 . 3.65 38 34 A 76 ARG H A 76 ARG HBx 1.0 . 2.90 39 34 A 76 ARG H A 76 ARG HBy 1.0 . 2.90 40 35 A 76 ARG H A 76 ARG HGx 1.0 . 4.10 41 36 A 78 LYS HGy A 76 ARG H 1.0 . 5.05 42 37 A 77 LEU HDx% A 76 ARG H 1.0 . 4.75 43 38 A 13 GLN H A 14 PHE H 1.0 . 3.61 44 39 A 14 PHE H A 15 LEU H 1.0 . 3.23 45 40 A 14 PHE H A 12 THR HB 1.0 . 4.70 46 41 A 14 PHE H A 14 PHE HBx 1.0 . 3.78 47 42 A 14 PHE H A 14 PHE HBy 1.0 . 3.76 48 43 A 5 LYS H A 5 LYS HBx 1.0 . 4.07 49 44 A 5 LYS H A 5 LYS HBy 1.0 . 4.07 50 45 A 5 LYS H A 5 LYS HGx 1.0 . 4.84 51 46 A 14 PHE H A 15 LEU HG 1.0 . 4.32 52 47 A 21 GLY H A 23 ASP H 1.0 . 5.50 53 48 A 23 ASP H A 22 LEU HA 1.0 . 3.12 54 49 A 23 ASP H A 26 THR HB 1.0 . 4.17 55 50 A 23 ASP H A 22 LEU HBx 1.0 . 4.52 56 51 A 23 ASP H A 26 THR HG2% 1.0 . 4.26 57 52 A 41 ASP H A 42 LEU H 1.0 . 3.41 58 53 A 41 ASP H A 40 PHE H 1.0 . 3.47 59 54 A 41 ASP H A 41 ASP HBx 1.0 . 3.23 60 55 A 41 ASP H A 41 ASP HBy 1.0 . 3.23 61 56 A 70 MET H A 70 MET HBx 1.0 . 3.70 62 57 A 70 MET H A 70 MET HGx 1.0 . 3.83 63 58 A 70 MET H A 70 MET HBy 1.0 . 3.82 64 59 A 70 MET H A 70 MET HGy 1.0 . 3.83 65 60 A 70 MET H A 72 ALA HB% 1.0 . 5.03 66 61 A 23 ASP H A 26 THR H 1.0 . 4.07 67 62 A 26 THR H A 25 GLN H 1.0 . 3.10 68 63 A 75 GLN H A 74 VAL H 1.0 . 3.63 69 64 A 76 ARG H A 74 VAL H 1.0 . 4.26 70 65 A 26 THR HB A 26 THR H 1.0 . 3.37 71 66 A 74 VAL H A 70 MET HA 1.0 . 5.18 72 67 A 26 THR H A 27 PRO HDx 1.0 . 5.03 73 68 A 26 THR H A 25 GLN HBx 1.0 . 4.10 74 69 A 74 VAL H A 74 VAL HB 1.0 . 3.14 75 70 A 26 THR H A 25 GLN HBy 1.0 . 4.10 76 71 A 74 VAL H A 73 LEU HG 1.0 . 3.68 77 72 A 26 THR HG2% A 26 THR H 1.0 . 4.01 78 73 A 86 ALA HB% A 86 ALA H 1.0 . 4.15 79 74 A 48 GLN H A 50 SER H 1.0 . 4.46 80 75 A 50 SER H A 51 LYS H 1.0 . 3.28 81 76 A 50 SER H A 46 LEU HA 1.0 . 3.83 82 77 A 50 SER H A 49 GLU HBx 1.0 . 3.64 83 78 A 50 SER H A 49 GLU HBy 1.0 . 3.77 84 79 A 36 SER H A 37 ALA H 1.0 . 3.72 85 80 A 37 ALA H A 35 ASP HA 1.0 . 4.68 86 81 A 37 ALA H A 35 ASP HBx 1.0 . 4.35 87 82 A 37 ALA H A 35 ASP HBy 1.0 . 4.35 88 83 A 24 SER HA A 67 VAL H 1.0 . 4.73 89 84 A 67 VAL H A 67 VAL HB 1.0 . 3.74 90 85 A 67 VAL H A 28 LEU HDy% 1.0 . 5.06 91 86 A 61 PRO HA A 63 ASN H 1.0 . 4.56 92 87 A 63 ASN H A 62 ALA H 1.0 . 4.66 93 88 A 63 ASN H A 63 ASN HBx 1.0 . 3.86 94 89 A 78 LYS H A 79 ALA H 1.0 . 3.48 95 90 A 59 ILE HA A 60 HIS H 1.0 . 3.07 96 91 A 60 HIS H A 64 PHE HBy 1.0 . 5.50 97 92 A 60 HIS H A 60 HIS HBx 1.0 . 3.68 98 92 A 60 HIS H A 60 HIS HBy 1.0 . 3.68 99 93 A 60 HIS H A 59 ILE HB 1.0 . 4.57 100 94 A 79 ALA H A 78 LYS HBy 1.0 . 4.19 101 95 A 78 LYS HBx A 79 ALA H 1.0 . 4.32 102 96 A 77 LEU H A 77 LEU HG 1.0 . 3.10 103 97 A 77 LEU H A 77 LEU HBy 1.0 . 3.76 104 98 A 77 LEU H A 77 LEU HDy% 1.0 . 3.44 105 99 A 75 GLN H A 76 ARG H 1.0 . 3.69 106 100 A 88 LEU HA A 89 GLU H 1.0 . 3.13 107 101 A 68 GLN HA A 71 VAL H 1.0 . 3.83 108 102 A 75 GLN H A 74 VAL HB 1.0 . 3.04 109 103 A 49 GLU HBy A 49 GLU H 1.0 . 3.58 110 104 A 35 ASP H A 38 ALA H 1.0 . 4.13 111 105 A 35 ASP H A 14 PHE HE% 1.0 . 4.59 112 106 A 35 ASP H A 34 VAL H 1.0 . 4.74 113 107 A 35 ASP H A 34 VAL HA 1.0 . 3.08 114 108 A 35 ASP H A 35 ASP HBx 1.0 . 3.92 115 109 A 35 ASP H A 35 ASP HBy 1.0 . 3.92 116 110 A 35 ASP H A 38 ALA HB% 1.0 . 3.38 117 111 A 35 ASP H A 33 ILE HG2% 1.0 . 5.50 118 112 A 35 ASP H A 34 VAL HGx% 1.0 . 4.22 119 113 A 17 GLY H A 18 GLU H 1.0 . 3.47 120 114 A 19 LYS H A 18 GLU H 1.0 . 4.64 121 115 A 40 PHE H A 39 ILE H 1.0 . 3.32 122 116 A 39 ILE H A 36 SER HA 1.0 . 3.94 123 117 A 18 GLU H A 11 ALA HA 1.0 . 5.34 124 118 A 18 GLU HBx A 18 GLU H 1.0 . 3.03 125 119 A 39 ILE H A 39 ILE HB 1.0 . 3.03 126 120 A 18 GLU H A 11 ALA HB% 1.0 . 4.20 127 121 A 39 ILE H A 39 ILE HG1x 1.0 . 3.77 128 122 A 18 GLU H A 15 LEU HDx% 1.0 . 4.38 129 123 A 39 ILE H A 39 ILE HG1y 1.0 . 3.77 130 124 A 39 ILE H A 34 VAL HGy% 1.0 . 4.13 131 125 A 39 ILE H A 39 ILE HD1% 1.0 . 4.35 132 126 A 51 LYS H A 51 LYS HDy 1.0 . 4.59 133 127 A 51 LYS H A 51 LYS HGy 1.0 . 4.39 134 128 A 79 ALA H A 80 HIS H 1.0 . 4.04 135 129 A 80 HIS H A 79 ALA HB% 1.0 . 4.02 136 130 A 58 GLU H A 59 ILE H 1.0 . 3.20 137 131 A 59 ILE H A 56 MET HA 1.0 . 3.73 138 132 A 59 ILE HB A 59 ILE H 1.0 . 3.23 139 133 A 59 ILE H A 59 ILE HG2% 1.0 . 3.93 140 134 A 23 ASP H A 22 LEU H 1.0 . 4.36 141 135 A 21 GLY H A 22 LEU H 1.0 . 3.59 142 136 A 22 LEU H A 20 ASP HA 1.0 . 3.90 143 137 A 22 LEU H A 21 GLY HAy 1.0 . 3.37 144 138 A 22 LEU H A 20 ASP HBx 1.0 . 4.85 145 138 A 20 ASP HBy A 22 LEU H 1.0 . 4.85 146 139 A 22 LEU H A 22 LEU HBy 1.0 . 3.22 147 140 A 59 ILE H A 54 ILE HD1% 1.0 . 3.35 148 141 A 48 GLN HBy A 48 GLN HE2y 1.0 . 4.70 149 142 A 45 PHE H A 47 ARG H 1.0 . 4.84 150 143 A 49 GLU H A 47 ARG H 1.0 . 5.26 151 144 A 45 PHE H A 46 LEU H 1.0 . 3.67 152 145 A 47 ARG H A 44 ASP HA 1.0 . 4.36 153 146 A 46 LEU H A 43 VAL HA 1.0 . 4.32 154 147 A 47 ARG H A 46 LEU HBy 1.0 . 3.41 155 148 A 47 ARG H A 47 ARG HBx 1.0 . 3.79 156 149 A 47 ARG H A 47 ARG HGy 1.0 . 4.17 157 150 A 47 ARG H A 46 LEU HBx 1.0 . 4.31 158 151 A 46 LEU H A 46 LEU HBx 1.0 . 3.75 159 152 A 46 LEU H A 46 LEU HDy% 1.0 . 4.12 160 153 A 47 ARG H A 54 ILE HG2% 1.0 . 5.25 161 154 A 28 LEU H A 29 PHE H 1.0 . 3.80 162 155 A 29 PHE H A 30 GLU H 1.0 . 3.44 163 156 A 29 PHE H A 65 ALA HA 1.0 . 4.44 164 157 A 29 PHE H A 29 PHE HBy 1.0 . 3.78 165 158 A 28 LEU HBy A 29 PHE H 1.0 . 3.88 166 159 A 29 PHE H A 28 LEU HBx 1.0 . 4.26 167 160 A 29 PHE H A 28 LEU HDx% 1.0 . 4.96 168 161 A 42 LEU H A 40 PHE H 1.0 . 4.64 169 162 A 6 LEU H A 7 ILE H 1.0 . 4.01 170 163 A 7 ILE H A 8 ASN H 1.0 . 3.82 171 164 A 13 GLN H A 12 THR H 1.0 . 3.25 172 165 A 13 GLN H A 15 LEU H 1.0 . 4.37 173 166 A 7 ILE H A 4 SER HA 1.0 . 4.38 174 167 A 7 ILE H A 5 LYS HA 1.0 . 5.04 175 168 A 13 GLN H A 12 THR HB 1.0 . 3.46 176 169 A 13 GLN H A 10 ILE HA 1.0 . 4.05 177 170 A 45 PHE H A 45 PHE HBx 1.0 . 3.24 178 171 A 45 PHE H A 46 LEU HBy 1.0 . 5.29 179 172 A 45 PHE H A 48 GLN HBx 1.0 . 5.50 180 173 A 7 ILE H A 7 ILE HB 1.0 . 3.20 181 174 A 13 GLN H A 10 ILE HB 1.0 . 4.59 182 175 A 7 ILE H A 6 LEU HBy 1.0 . 4.47 183 176 A 13 GLN H A 13 GLN HGx 1.0 . 3.81 184 177 A 13 GLN H A 13 GLN HGy 1.0 . 3.81 185 178 A 7 ILE H A 6 LEU HDy% 1.0 . 4.12 186 179 A 7 ILE HG2% A 7 ILE H 1.0 . 3.84 187 180 A 70 MET H A 71 VAL H 1.0 . 3.42 188 181 A 71 VAL H A 67 VAL HA 1.0 . 4.25 189 182 A 71 VAL HB A 71 VAL H 1.0 . 3.08 190 183 A 72 ALA HB% A 71 VAL H 1.0 . 4.27 191 184 A 71 VAL H A 71 VAL HGy% 1.0 . 4.30 192 185 A 52 VAL HA A 53 SER H 1.0 . 3.07 193 186 A 53 SER H A 52 VAL HGx% 1.0 . 4.22 194 187 A 36 SER H A 38 ALA H 1.0 . 4.77 195 188 A 38 ALA H A 39 ILE H 1.0 . 3.16 196 189 A 40 PHE H A 38 ALA H 1.0 . 4.65 197 190 A 38 ALA H A 38 ALA HB% 1.0 . 2.80 198 191 A 38 ALA H A 34 VAL HGy% 1.0 . 4.34 199 192 A 9 HIS H A 8 ASN H 1.0 . 3.54 200 193 A 8 ASN H A 8 ASN HBx 1.0 . 3.12 201 193 A 8 ASN HBy A 8 ASN H 1.0 . 3.12 202 194 A 8 ASN H A 7 ILE HB 1.0 . 3.59 203 195 A 7 ILE HG2% A 8 ASN H 1.0 . 3.72 204 196 A 20 ASP H A 20 ASP HBx 1.0 . 3.11 205 196 A 20 ASP HBy A 20 ASP H 1.0 . 3.11 206 197 A 20 ASP H A 18 GLU HGy 1.0 . 3.92 207 198 A 11 ALA H A 10 ILE HB 1.0 . 4.25 208 199 A 11 ALA H A 10 ILE HG1y 1.0 . 4.63 209 200 A 11 ALA H A 15 LEU HG 1.0 . 4.74 210 201 A 11 ALA H A 7 ILE HG2% 1.0 . 3.95 211 202 A 82 GLU H A 83 GLN H 1.0 . 4.80 212 203 A 11 ALA H A 12 THR H 1.0 . 3.51 213 204 A 12 THR HB A 12 THR H 1.0 . 3.14 214 205 A 12 THR H A 10 ILE HB 1.0 . 4.94 215 206 A 66 THR H A 69 SER H 1.0 . 4.31 216 207 A 72 ALA H A 73 LEU H 1.0 . 3.24 217 208 A 28 LEU H A 66 THR H 1.0 . 5.50 218 209 A 30 GLU H A 31 LEU H 1.0 . 3.53 219 210 A 73 LEU H A 71 VAL HA 1.0 . 4.69 220 211 A 28 LEU HG A 66 THR H 1.0 . 5.50 221 212 A 30 GLU H A 31 LEU HG 1.0 . 4.65 222 213 A 73 LEU H A 73 LEU HBy 1.0 . 3.58 223 214 A 66 THR HG2% A 66 THR H 1.0 . 3.90 224 215 A 17 GLY H A 16 ASP H 1.0 . 3.78 225 216 A 14 PHE H A 16 ASP H 1.0 . 4.49 226 217 A 15 LEU H A 16 ASP H 1.0 . 3.41 227 218 A 16 ASP H A 16 ASP HA 1.0 . 2.89 228 219 A 16 ASP H A 16 ASP HBx 1.0 . 4.05 229 220 A 16 ASP H A 16 ASP HBy 1.0 . 4.05 230 221 A 16 ASP H A 15 LEU HDy% 1.0 . 4.82 231 222 A 36 SER H A 35 ASP H 1.0 . 4.69 232 223 A 36 SER H A 35 ASP HA 1.0 . 3.30 233 224 A 36 SER H A 36 SER HBx 1.0 . 3.06 234 224 A 36 SER H A 36 SER HBy 1.0 . 3.06 235 225 A 36 SER H A 35 ASP HBx 1.0 . 3.54 236 226 A 36 SER H A 35 ASP HBy 1.0 . 3.54 237 227 A 36 SER H A 37 ALA HB% 1.0 . 4.95 238 228 A 58 GLU H A 57 GLN H 1.0 . 4.18 239 229 A 58 GLU H A 55 GLY H 1.0 . 4.76 240 230 A 59 ILE HA A 58 GLU H 1.0 . 5.30 241 231 A 58 GLU H A 58 GLU HBy 1.0 . 4.20 242 232 A 58 GLU H A 54 ILE HD1% 1.0 . 4.39 243 233 A 46 LEU H A 44 ASP H 1.0 . 4.60 244 234 A 44 ASP H A 43 VAL H 1.0 . 3.59 245 235 A 45 PHE H A 44 ASP H 1.0 . 3.54 246 236 A 44 ASP H A 44 ASP HBx 1.0 . 3.07 247 237 A 44 ASP H A 43 VAL HB 1.0 . 3.99 248 238 A 44 ASP H A 43 VAL HGx% 1.0 . 4.30 249 239 A 42 LEU H A 43 VAL H 1.0 . 3.61 250 240 A 43 VAL H A 40 PHE HA 1.0 . 4.08 251 241 A 43 VAL H A 44 ASP HBx 1.0 . 5.21 252 242 A 43 VAL H A 42 LEU HBx 1.0 . 4.11 253 243 A 43 VAL H A 42 LEU HBy 1.0 . 4.11 254 244 A 43 VAL H A 43 VAL HGy% 1.0 . 3.77 255 245 A 5 LYS H A 6 LEU H 1.0 . 4.14 256 246 A 6 LEU H A 6 LEU HBx 1.0 . 4.08 257 247 A 6 LEU H A 6 LEU HG 1.0 . 3.99 258 248 A 6 LEU H A 6 LEU HBy 1.0 . 4.08 259 249 A 6 LEU H A 6 LEU HDy% 1.0 . 3.91 260 250 A 67 VAL H A 68 GLN H 1.0 . 3.88 261 251 A 69 SER H A 68 GLN H 1.0 . 3.70 262 252 A 71 VAL H A 68 GLN H 1.0 . 4.98 263 253 A 70 MET H A 68 GLN H 1.0 . 4.71 264 254 A 68 GLN H A 68 GLN HBx 1.0 . 2.97 265 254 A 68 GLN HBy A 68 GLN H 1.0 . 2.97 266 255 A 68 GLN H A 67 VAL HGx% 1.0 . 4.09 267 256 A 24 SER H A 23 ASP HBx 1.0 . 4.06 268 257 A 21 GLY H A 20 ASP HA 1.0 . 3.56 269 258 A 56 MET H A 56 MET HGy 1.0 . 4.52 270 259 A 21 GLY H A 20 ASP HBx 1.0 . 4.28 271 259 A 20 ASP HBy A 21 GLY H 1.0 . 4.28 272 260 A 56 MET H A 56 MET HBx 1.0 . 3.26 273 260 A 56 MET H A 56 MET HBy 1.0 . 3.26 274 261 A 71 VAL H A 69 SER H 1.0 . 4.58 275 262 A 72 ALA H A 69 SER H 1.0 . 5.21 276 263 A 70 MET H A 69 SER H 1.0 . 3.57 277 264 A 70 MET HBy A 69 SER H 1.0 . 5.04 278 265 A 69 SER H A 68 GLN HBx 1.0 . 3.51 279 265 A 68 GLN HBy A 69 SER H 1.0 . 3.51 280 266 A 9 HIS H A 10 ILE H 1.0 . 4.06 281 267 A 10 ILE H A 9 HIS HBx 1.0 . 3.76 282 267 A 9 HIS HBy A 10 ILE H 1.0 . 3.76 283 268 A 25 GLN H A 25 GLN HBx 1.0 . 3.89 284 269 A 25 GLN H A 25 GLN HGy 1.0 . 4.20 285 270 A 25 GLN H A 25 GLN HBy 1.0 . 3.89 286 271 A 10 ILE HG1y A 10 ILE H 1.0 . 3.31 287 272 A 10 ILE H A 10 ILE HG1x 1.0 . 3.87 288 273 A 53 SER H A 52 VAL H 1.0 . 4.75 289 274 A 50 SER H A 52 VAL H 1.0 . 4.52 290 275 A 48 GLN H A 52 VAL H 1.0 . 5.12 291 276 A 51 LYS H A 52 VAL H 1.0 . 3.70 292 277 A 52 VAL H A 51 LYS HA 1.0 . 3.27 293 278 A 52 VAL H A 52 VAL HB 1.0 . 3.58 294 279 A 52 VAL H A 52 VAL HGy% 1.0 . 3.99 295 280 A 17 GLY H A 15 LEU H 1.0 . 4.26 296 281 A 15 LEU H A 16 ASP HA 1.0 . 4.45 297 282 A 15 LEU H A 11 ALA HA 1.0 . 4.02 298 283 A 15 LEU H A 14 PHE HBx 1.0 . 4.40 299 284 A 15 LEU H A 14 PHE HBy 1.0 . 4.27 300 285 A 15 LEU H A 15 LEU HBy 1.0 . 3.77 301 286 A 15 LEU H A 15 LEU HG 1.0 . 3.94 302 287 A 15 LEU H A 15 LEU HDy% 1.0 . 3.69 303 288 A 66 THR H A 65 ALA H 1.0 . 3.59 304 289 A 65 ALA H A 64 PHE H 1.0 . 3.27 305 290 A 65 ALA H A 63 ASN HA 1.0 . 4.54 306 291 A 64 PHE HBy A 65 ALA H 1.0 . 4.75 307 292 A 65 ALA H A 64 PHE HBx 1.0 . 4.59 308 293 A 65 ALA H A 65 ALA HB% 1.0 . 2.95 309 294 A 3 GLU H A 3 GLU HBx 1.0 . 4.00 310 295 A 3 GLU H A 3 GLU HBy 1.0 . 4.00 311 296 A 3 GLU H A 2 LEU HBx 1.0 . 4.05 312 296 A 3 GLU H A 2 LEU HBy 1.0 . 4.05 313 297 A 3 GLU H A 2 LEU HDx% 1.0 . 4.04 314 297 A 3 GLU H A 2 LEU HDy% 1.0 . 4.04 315 298 A 48 GLN H A 47 ARG H 1.0 . 3.50 316 299 A 48 GLN H A 49 GLU H 1.0 . 3.41 317 300 A 31 LEU H A 32 ASN H 1.0 . 3.45 318 301 A 32 ASN H A 29 PHE HA 1.0 . 4.03 319 302 A 32 ASN H A 32 ASN HA 1.0 . 2.84 320 303 A 32 ASN H A 32 ASN HBy 1.0 . 4.15 321 304 A 27 PRO HBx A 32 ASN H 1.0 . 5.25 322 305 A 48 GLN HBy A 48 GLN H 1.0 . 2.78 323 306 A 32 ASN H A 31 LEU HBx 1.0 . 4.20 324 307 A 48 GLN H A 49 GLU HBy 1.0 . 4.78 325 308 A 32 ASN H A 31 LEU HDy% 1.0 . 4.50 326 309 A 3 GLU H A 4 SER H 1.0 . 4.43 327 310 A 5 LYS H A 4 SER H 1.0 . 4.14 328 311 A 66 THR H A 64 PHE H 1.0 . 5.04 329 312 A 64 PHE H A 29 PHE HE% 1.0 . 5.31 330 313 A 64 PHE H A 64 PHE HE% 1.0 . 5.50 331 314 A 61 PRO HA A 64 PHE H 1.0 . 4.00 332 315 A 64 PHE H A 64 PHE HBx 1.0 . 3.81 333 316 A 4 SER H A 3 GLU HBx 1.0 . 4.08 334 317 A 4 SER H A 3 GLU HBy 1.0 . 4.08 335 318 A 40 PHE H A 40 PHE HBy 1.0 . 3.47 336 319 A 40 PHE H A 39 ILE HB 1.0 . 3.79 337 320 A 57 GLN H A 56 MET HBx 1.0 . 4.11 338 320 A 57 GLN H A 56 MET HBy 1.0 . 4.11 339 321 A 34 VAL H A 33 ILE H 1.0 . 3.39 340 322 A 29 PHE HA A 33 ILE H 1.0 . 4.92 341 323 A 33 ILE H A 33 ILE HB 1.0 . 3.41 342 324 A 33 ILE H A 33 ILE HG1x 1.0 . 3.78 343 325 A 33 ILE H A 33 ILE HG1y 1.0 . 3.78 344 326 A 33 ILE HG2% A 33 ILE H 1.0 . 3.88 345 327 A 24 SER H A 23 ASP HBy 1.0 . 4.06 346 328 A 24 SER H A 7 ILE HD1% 1.0 . 4.83 347 329 A 55 GLY H A 54 ILE HA 1.0 . 2.99 348 330 A 29 PHE H A 31 LEU H 1.0 . 4.78 349 331 A 31 LEU H A 33 ILE H 1.0 . 4.18 350 332 A 31 LEU H A 28 LEU HA 1.0 . 4.64 351 333 A 27 PRO HBx A 31 LEU H 1.0 . 3.70 352 334 A 31 LEU H A 31 LEU HG 1.0 . 3.21 353 335 A 31 LEU H A 31 LEU HDy% 1.0 . 3.57 354 336 A 34 VAL H A 32 ASN HA 1.0 . 4.16 355 337 A 34 VAL H A 33 ILE HB 1.0 . 3.73 356 338 A 34 VAL H A 34 VAL HB 1.0 . 3.51 357 339 A 34 VAL H A 33 ILE HG1y 1.0 . 5.03 358 340 A 34 VAL H A 33 ILE HG2% 1.0 . 3.87 359 341 A 68 GLN HE2x A 68 GLN HBx 1.0 . 4.50 360 341 A 68 GLN HBy A 68 GLN HE2x 1.0 . 4.50 361 342 A 18 GLU H A 18 GLU HGx 1.0 . 3.35 362 343 A 39 ILE H A 39 ILE HG2% 1.0 . 3.77 363 344 A 67 VAL H A 66 THR H 1.0 . 4.98 364 345 A 67 VAL H A 69 SER H 1.0 . 5.41 365 346 A 28 LEU H A 67 VAL H 1.0 . 5.50 366 347 A 70 MET H A 67 VAL H 1.0 . 5.50 367 348 A 43 VAL H A 39 ILE HG2% 1.0 . 5.08 368 349 A 42 LEU H A 39 ILE HG2% 1.0 . 5.50 369 350 A 41 ASP H A 39 ILE HG2% 1.0 . 5.35 370 351 A 60 HIS H A 39 ILE HG2% 1.0 . 5.49 371 352 A 64 PHE H A 39 ILE HG2% 1.0 . 5.50 372 353 A 28 LEU H A 34 VAL HGx% 1.0 . 5.50 373 354 A 38 ALA H A 34 VAL HGx% 1.0 . 5.47 374 355 A 34 VAL HGx% A 29 PHE H 1.0 . 5.24 375 356 A 34 VAL HGx% A 32 ASN H 1.0 . 5.50 376 357 A 36 SER H A 34 VAL HGx% 1.0 . 5.50 377 358 A 36 SER H A 34 VAL HGy% 1.0 . 5.50 378 359 A 36 SER H A 39 ILE HD1% 1.0 . 5.50 379 360 A 37 ALA H A 34 VAL HGy% 1.0 . 5.49 380 361 A 63 ASN H A 39 ILE HD1% 1.0 . 5.50 381 362 A 41 ASP H A 39 ILE HD1% 1.0 . 5.50 382 363 A 41 ASP H A 59 ILE HG2% 1.0 . 5.50 383 364 A 3 GLU H A 2 LEU HG 1.0 . 5.50 384 365 A 4 SER H A 4 SER HBx 1.0 . 3.53 385 365 A 4 SER H A 4 SER HBy 1.0 . 3.53 386 366 A 76 ARG H A 76 ARG HGy 1.0 . 4.10 387 367 A 8 ASN H A 19 LYS HDx 1.0 . 4.49 388 367 A 8 ASN H A 19 LYS HDy 1.0 . 4.49 389 368 A 5 LYS H A 5 LYS HGy 1.0 . 4.84 390 369 A 5 LYS HA A 5 LYS HGx 1.0 . 4.15 391 370 A 5 LYS HA A 5 LYS HGy 1.0 . 4.15 392 371 A 5 LYS HEy A 5 LYS HGx 1.0 . 4.03 393 371 A 5 LYS HEx A 5 LYS HGx 1.0 . 4.03 394 372 A 45 PHE HE% A 5 LYS HEx 1.0 . 5.50 395 372 A 5 LYS HEy A 45 PHE HE% 1.0 . 5.50 396 373 A 45 PHE HZ A 5 LYS HEx 1.0 . 5.50 397 373 A 5 LYS HEy A 45 PHE HZ 1.0 . 5.50 398 374 A 7 ILE H A 6 LEU HBx 1.0 . 4.47 399 375 A 6 LEU H A 6 LEU HDx% 1.0 . 4.37 400 376 A 7 ILE H A 7 ILE HD1% 1.0 . 3.88 401 377 A 7 ILE HG2% A 7 ILE HA 1.0 . 3.40 402 378 A 52 VAL H A 47 ARG HA 1.0 . 3.95 403 379 A 10 ILE HB A 10 ILE H 1.0 . 3.82 404 380 A 10 ILE H A 10 ILE HD1% 1.0 . 3.75 405 381 A 10 ILE H A 10 ILE HG2% 1.0 . 3.69 406 382 A 11 ALA H A 11 ALA HB% 1.0 . 3.03 407 383 A 12 THR H A 12 THR HG2% 1.0 . 3.90 408 384 A 13 GLN H A 13 GLN HBy 1.0 . 3.90 409 385 A 13 GLN H A 13 GLN HBx 1.0 . 3.89 410 386 A 52 VAL H A 52 VAL HGx% 1.0 . 3.99 411 387 A 15 LEU HDx% A 15 LEU HA 1.0 . 4.12 412 388 A 15 LEU HDy% A 15 LEU HA 1.0 . 3.15 413 389 A 18 GLU H A 18 GLU HBy 1.0 . 3.79 414 390 A 18 GLU HA A 18 GLU HGy 1.0 . 3.95 415 391 A 19 LYS HBx A 19 LYS HEx 1.0 . 4.08 416 391 A 19 LYS HBx A 19 LYS HEy 1.0 . 4.08 417 392 A 19 LYS H A 19 LYS HGx 1.0 . 4.14 418 393 A 19 LYS H A 19 LYS HGy 1.0 . 4.05 419 394 A 18 GLU HA A 19 LYS HGy 1.0 . 4.74 420 395 A 18 GLU HA A 19 LYS HGx 1.0 . 4.25 421 396 A 49 GLU HBx A 49 GLU H 1.0 . 3.90 422 397 A 42 LEU H A 41 ASP HBy 1.0 . 4.15 423 398 A 20 ASP HA A 20 ASP HBx 1.0 . 3.02 424 398 A 20 ASP HBy A 20 ASP HA 1.0 . 3.02 425 399 A 22 LEU HBx A 22 LEU H 1.0 . 3.79 426 400 A 22 LEU HA A 22 LEU HDy% 1.0 . 4.33 427 401 A 24 SER HA A 67 VAL HGy% 1.0 . 4.16 428 402 A 25 GLN H A 25 GLN HGx 1.0 . 4.20 429 403 A 28 LEU HA A 28 LEU HDx% 1.0 . 4.10 430 404 A 29 PHE H A 29 PHE HBx 1.0 . 3.78 431 405 A 30 GLU HA A 30 GLU HGx 1.0 . 3.92 432 406 A 58 GLU H A 58 GLU HBx 1.0 . 4.20 433 407 A 31 LEU H A 31 LEU HBx 1.0 . 3.94 434 408 A 31 LEU H A 31 LEU HBy 1.0 . 3.79 435 409 A 31 LEU H A 31 LEU HDx% 1.0 . 3.99 436 410 A 32 ASN H A 32 ASN HBx 1.0 . 4.15 437 411 A 33 ILE H A 33 ILE HD1% 1.0 . 3.78 438 412 A 34 VAL H A 34 VAL HGy% 1.0 . 4.11 439 413 A 34 VAL H A 34 VAL HGx% 1.0 . 3.47 440 414 A 54 ILE HD1% A 54 ILE HA 1.0 . 3.89 441 415 A 36 SER HA A 39 ILE HD1% 1.0 . 4.09 442 416 A 37 ALA H A 37 ALA HB% 1.0 . 2.78 443 417 A 40 PHE H A 40 PHE HBx 1.0 . 3.47 444 418 A 42 LEU H A 42 LEU HBx 1.0 . 4.03 445 419 A 42 LEU H A 42 LEU HBy 1.0 . 4.03 446 420 A 42 LEU H A 42 LEU HG 1.0 . 4.06 447 421 A 43 VAL H A 43 VAL HB 1.0 . 3.82 448 422 A 43 VAL H A 43 VAL HGx% 1.0 . 3.77 449 423 A 44 ASP H A 44 ASP HBy 1.0 . 3.78 450 424 A 45 PHE H A 44 ASP HBx 1.0 . 4.06 451 425 A 45 PHE H A 45 PHE HBy 1.0 . 3.79 452 426 A 46 LEU H A 46 LEU HBy 1.0 . 3.91 453 427 A 46 LEU H A 46 LEU HDx% 1.0 . 4.12 454 428 A 47 ARG H A 47 ARG HBy 1.0 . 3.79 455 429 A 47 ARG H A 47 ARG HGx 1.0 . 4.17 456 430 A 47 ARG H A 47 ARG HDx 1.0 . 4.90 457 431 A 47 ARG H A 47 ARG HDy 1.0 . 4.90 458 432 A 48 GLN H A 48 GLN HBx 1.0 . 3.50 459 433 A 48 GLN H A 48 GLN HGx 1.0 . 4.73 460 434 A 48 GLN H A 48 GLN HGy 1.0 . 4.73 461 435 A 50 SER H A 50 SER HBx 1.0 . 4.08 462 436 A 50 SER H A 50 SER HBy 1.0 . 4.08 463 437 A 51 LYS H A 51 LYS HDx 1.0 . 4.59 464 438 A 51 LYS H A 51 LYS HGx 1.0 . 4.39 465 439 A 51 LYS HA A 51 LYS HEx 1.0 . 4.46 466 439 A 51 LYS HA A 51 LYS HEy 1.0 . 4.46 467 440 A 53 SER H A 53 SER HBx 1.0 . 3.76 468 441 A 53 SER H A 53 SER HBy 1.0 . 3.76 469 442 A 88 LEU H A 88 LEU HG 1.0 . 4.55 470 443 A 55 GLY H A 54 ILE HG1y 1.0 . 5.12 471 444 A 54 ILE HA A 54 ILE HG1y 1.0 . 4.09 472 445 A 54 ILE HA A 54 ILE HG1x 1.0 . 4.09 473 446 A 54 ILE HD1% A 54 ILE H 1.0 . 4.92 474 447 A 54 ILE HG2% A 54 ILE H 1.0 . 4.98 475 448 A 54 ILE HG2% A 54 ILE HA 1.0 . 3.26 476 449 A 56 MET H A 56 MET HGx 1.0 . 4.52 477 450 A 57 GLN H A 57 GLN HGx 1.0 . 5.50 478 451 A 57 GLN H A 57 GLN HGy 1.0 . 5.50 479 452 A 48 GLN H A 45 PHE HA 1.0 . 4.38 480 453 A 70 MET HBy A 66 THR H 1.0 . 3.95 481 454 A 59 ILE HA A 59 ILE HG1x 1.0 . 4.16 482 455 A 59 ILE H A 59 ILE HG1x 1.0 . 4.25 483 456 A 59 ILE H A 59 ILE HG1y 1.0 . 4.25 484 457 A 60 HIS H A 59 ILE HG2% 1.0 . 3.63 485 458 A 59 ILE H A 59 ILE HD1% 1.0 . 3.93 486 459 A 59 ILE HA A 59 ILE HG2% 1.0 . 3.30 487 460 A 63 ASN H A 60 HIS HBx 1.0 . 4.71 488 460 A 63 ASN H A 60 HIS HBy 1.0 . 4.71 489 461 A 80 HIS HA A 81 PRO HDy 1.0 . 3.26 490 462 A 63 ASN H A 63 ASN HBy 1.0 . 3.86 491 463 A 64 PHE HBy A 64 PHE H 1.0 . 3.84 492 464 A 70 MET H A 64 PHE HA 1.0 . 4.46 493 465 A 66 THR HA A 66 THR HG2% 1.0 . 3.57 494 466 A 67 VAL H A 67 VAL HGx% 1.0 . 4.52 495 467 A 67 VAL H A 67 VAL HGy% 1.0 . 4.52 496 468 A 68 GLN H A 68 GLN HGx 1.0 . 4.72 497 469 A 68 GLN H A 68 GLN HGy 1.0 . 4.72 498 470 A 69 SER H A 69 SER HBy 1.0 . 3.94 499 471 A 69 SER H A 69 SER HBx 1.0 . 3.94 500 472 A 66 THR H A 69 SER HBx 1.0 . 4.05 501 473 A 66 THR H A 69 SER HBy 1.0 . 4.05 502 474 A 72 ALA HB% A 69 SER HA 1.0 . 3.33 503 475 A 70 MET HA A 73 LEU H 1.0 . 3.83 504 476 A 70 MET HBx A 64 PHE HA 1.0 . 4.03 505 477 A 67 VAL HA A 70 MET HGx 1.0 . 4.02 506 478 A 70 MET HBy A 64 PHE HA 1.0 . 4.05 507 479 A 67 VAL HA A 70 MET HGy 1.0 . 4.02 508 480 A 71 VAL H A 71 VAL HGx% 1.0 . 4.30 509 481 A 75 GLN H A 72 ALA HA 1.0 . 3.85 510 482 A 72 ALA H A 72 ALA HB% 1.0 . 2.73 511 483 A 73 LEU H A 73 LEU HBx 1.0 . 3.58 512 484 A 73 LEU HG A 73 LEU H 1.0 . 3.87 513 485 A 73 LEU H A 73 LEU HDx% 1.0 . 4.56 514 486 A 73 LEU H A 73 LEU HDy% 1.0 . 3.81 515 487 A 44 ASP H A 43 VAL HGy% 1.0 . 4.30 516 488 A 74 VAL H A 74 VAL HGx% 1.0 . 4.01 517 489 A 74 VAL H A 74 VAL HGy% 1.0 . 4.01 518 490 A 75 GLN H A 75 GLN HBx 1.0 . 3.41 519 491 A 76 ARG H A 75 GLN HBx 1.0 . 3.87 520 492 A 75 GLN HBy A 76 ARG H 1.0 . 4.09 521 493 A 75 GLN H A 75 GLN HGx 1.0 . 3.67 522 494 A 75 GLN H A 75 GLN HGy 1.0 . 3.67 523 495 A 77 LEU H A 77 LEU HBx 1.0 . 3.76 524 496 A 74 VAL HA A 77 LEU HBx 1.0 . 5.04 525 497 A 78 LYS H A 78 LYS HBy 1.0 . 3.76 526 498 A 73 LEU HG A 74 VAL HA 1.0 . 4.97 527 499 A 77 LEU HDx% A 77 LEU H 1.0 . 3.58 528 500 A 78 LYS H A 78 LYS HDx 1.0 . 4.30 529 500 A 78 LYS H A 78 LYS HDy 1.0 . 4.30 530 501 A 78 LYS HA A 78 LYS HDx 1.0 . 3.41 531 501 A 78 LYS HDy A 78 LYS HA 1.0 . 3.41 532 502 A 79 ALA H A 79 ALA HB% 1.0 . 2.94 533 503 A 80 HIS HA A 81 PRO HDx 1.0 . 3.26 534 504 A 82 GLU H A 82 GLU HGy 1.0 . 5.42 535 505 A 82 GLU H A 82 GLU HGx 1.0 . 5.42 536 506 A 83 GLN HA A 83 GLN HGx 1.0 . 3.37 537 506 A 83 GLN HA A 83 GLN HGy 1.0 . 3.37 538 507 A 83 GLN H A 84 GLY HAx 1.0 . 4.94 539 507 A 83 GLN H A 84 GLY HAy 1.0 . 4.94 540 508 A 88 LEU HA A 88 LEU HG 1.0 . 3.75 541 509 A 88 LEU HA A 88 LEU HDy% 1.0 . 4.07 542 510 A 88 LEU HA A 88 LEU HDx% 1.0 . 4.07 543 511 A 42 LEU HA A 42 LEU HDx% 1.0 . 4.10 544 512 A 70 MET HBx A 70 MET HE% 1.0 . 3.27 545 513 A 56 MET HA A 56 MET HE% 1.0 . 3.95 546 514 A 56 MET HE% A 40 PHE HD% 1.0 . 4.05 547 515 A 56 MET HA A 56 MET HBx 1.0 . 2.94 548 515 A 56 MET HA A 56 MET HBy 1.0 . 2.94 549 516 A 67 VAL HA A 70 MET HE% 1.0 . 3.13 550 517 A 56 MET HA A 56 MET HGy 1.0 . 4.02 551 518 A 31 LEU H A 29 PHE HA 1.0 . 4.31 552 519 A 54 ILE HG2% A 53 SER HA 1.0 . 4.07 553 520 A 53 SER HA A 47 ARG HGy 1.0 . 5.20 554 521 A 52 VAL HA A 52 VAL HGx% 1.0 . 3.50 555 522 A 19 LYS HGy A 19 LYS HA 1.0 . 3.33 556 523 A 57 GLN HA A 57 GLN HBx 1.0 . 2.68 557 523 A 57 GLN HA A 57 GLN HBy 1.0 . 2.68 558 524 A 42 LEU HA A 42 LEU HDy% 1.0 . 4.10 559 525 A 4 SER HA A 7 ILE HB 1.0 . 3.53 560 526 A 7 ILE HG2% A 4 SER HA 1.0 . 4.24 561 527 A 76 ARG HA A 76 ARG HBx 1.0 . 2.87 562 527 A 76 ARG HBy A 76 ARG HA 1.0 . 2.87 563 528 A 27 PRO HDx A 26 THR HA 1.0 . 3.17 564 529 A 26 THR HA A 27 PRO HGy 1.0 . 5.28 565 530 A 26 THR HA A 27 PRO HGx 1.0 . 4.43 566 531 A 31 LEU HDx% A 26 THR HA 1.0 . 4.38 567 532 A 30 GLU HA A 30 GLU HGy 1.0 . 3.92 568 533 A 72 ALA HA A 75 GLN HBx 1.0 . 3.52 569 534 A 72 ALA HA A 71 VAL HGx% 1.0 . 4.55 570 535 A 72 ALA HA A 71 VAL HGy% 1.0 . 4.55 571 536 A 26 THR HG2% A 27 PRO HDy 1.0 . 3.69 572 537 A 31 LEU HDx% A 27 PRO HDy 1.0 . 4.10 573 538 A 78 LYS HBx A 78 LYS HA 1.0 . 3.01 574 539 A 78 LYS HGy A 78 LYS HA 1.0 . 3.49 575 540 A 48 GLN HBx A 45 PHE HA 1.0 . 4.09 576 541 A 37 ALA H A 36 SER HBx 1.0 . 3.87 577 541 A 37 ALA H A 36 SER HBy 1.0 . 3.87 578 542 A 61 PRO HDy A 36 SER HBx 1.0 . 4.13 579 542 A 36 SER HBy A 61 PRO HDy 1.0 . 4.13 580 543 A 51 LYS HA A 51 LYS HGy 1.0 . 4.00 581 544 A 6 LEU HG A 6 LEU HA 1.0 . 3.72 582 545 A 26 THR HB A 27 PRO HDy 1.0 . 4.21 583 546 A 26 THR HB A 31 LEU HDx% 1.0 . 4.94 584 547 A 11 ALA HA A 15 LEU HBy 1.0 . 3.54 585 548 A 11 ALA HA A 15 LEU HDx% 1.0 . 3.21 586 549 A 78 LYS HGx A 75 GLN HA 1.0 . 4.10 587 550 A 78 LYS HBy A 75 GLN HA 1.0 . 4.01 588 551 A 34 VAL HA A 33 ILE HG2% 1.0 . 4.09 589 552 A 33 ILE HA A 33 ILE HG1y 1.0 . 3.83 590 553 A 67 VAL HA A 67 VAL HGy% 1.0 . 3.34 591 554 A 28 LEU HA A 28 LEU HDy% 1.0 . 4.10 592 555 A 27 PRO HDx A 31 LEU HDx% 1.0 . 4.55 593 556 A 3 GLU HA A 3 GLU HGy 1.0 . 4.12 594 557 A 6 LEU HDy% A 3 GLU HA 1.0 . 3.17 595 558 A 12 THR HA A 17 GLY HAx 1.0 . 3.72 596 559 A 43 VAL HA A 46 LEU HG 1.0 . 3.78 597 560 A 74 VAL H A 71 VAL HA 1.0 . 4.11 598 561 A 71 VAL HA A 71 VAL HGx% 1.0 . 3.10 599 562 A 71 VAL HA A 71 VAL HGy% 1.0 . 3.10 600 563 A 14 PHE HBx A 15 LEU HDx% 1.0 . 3.97 601 564 A 14 PHE HBx A 10 ILE HD1% 1.0 . 3.99 602 565 A 77 LEU H A 74 VAL HA 1.0 . 3.99 603 566 A 77 LEU HDx% A 74 VAL HA 1.0 . 3.14 604 567 A 39 ILE HA A 42 LEU HBx 1.0 . 4.27 605 568 A 39 ILE HD1% A 39 ILE HA 1.0 . 3.94 606 569 A 44 ASP HA A 47 ARG HDx 1.0 . 3.91 607 570 A 76 ARG HDx A 76 ARG HBx 1.0 . 3.85 608 570 A 76 ARG HBy A 76 ARG HDx 1.0 . 3.85 609 571 A 44 ASP HA A 47 ARG HDy 1.0 . 3.91 610 572 A 76 ARG HBy A 76 ARG HDy 1.0 . 3.85 611 572 A 76 ARG HBx A 76 ARG HDy 1.0 . 3.85 612 573 A 42 LEU H A 41 ASP HBx 1.0 . 4.15 613 574 A 46 LEU H A 45 PHE HBy 1.0 . 4.12 614 575 A 75 GLN HA A 78 LYS HEx 1.0 . 4.72 615 575 A 75 GLN HA A 78 LYS HEy 1.0 . 4.72 616 576 A 19 LYS HDy A 19 LYS HEx 1.0 . 2.66 617 576 A 19 LYS HDx A 19 LYS HEx 1.0 . 2.66 618 576 A 19 LYS HEy A 19 LYS HDx 1.0 . 2.66 619 576 A 19 LYS HDy A 19 LYS HEy 1.0 . 2.66 620 577 A 78 LYS HDx A 78 LYS HEx 1.0 . 2.66 621 577 A 78 LYS HDy A 78 LYS HEx 1.0 . 2.66 622 577 A 78 LYS HEy A 78 LYS HDx 1.0 . 2.66 623 577 A 78 LYS HDy A 78 LYS HEy 1.0 . 2.66 624 578 A 19 LYS HGx A 19 LYS HEx 1.0 . 3.01 625 578 A 19 LYS HEy A 19 LYS HGx 1.0 . 3.01 626 579 A 13 GLN H A 14 PHE HBy 1.0 . 4.42 627 580 A 45 PHE H A 44 ASP HBy 1.0 . 4.62 628 581 A 56 MET HA A 56 MET HGx 1.0 . 4.02 629 582 A 48 GLN HA A 48 GLN HGx 1.0 . 3.40 630 583 A 83 GLN HGy A 80 HIS HBy 1.0 . 4.89 631 583 A 80 HIS HBy A 83 GLN HGx 1.0 . 4.89 632 584 A 73 LEU HDx% A 63 ASN HBy 1.0 . 4.17 633 585 A 25 GLN HA A 25 GLN HGy 1.0 . 3.50 634 586 A 18 GLU HGy A 20 ASP HBx 1.0 . 3.94 635 586 A 20 ASP HBy A 18 GLU HGy 1.0 . 3.94 636 587 A 31 LEU HDy% A 27 PRO HGy 1.0 . 3.94 637 588 A 73 LEU HDx% A 73 LEU HBx 1.0 . 3.79 638 589 A 3 GLU HA A 3 GLU HGx 1.0 . 4.12 639 590 A 6 LEU HDy% A 3 GLU HGx 1.0 . 4.45 640 591 A 46 LEU H A 46 LEU HG 1.0 . 4.01 641 592 A 6 LEU HDy% A 3 GLU HGy 1.0 . 4.45 642 593 A 18 GLU HBy A 20 ASP HBx 1.0 . 4.33 643 593 A 20 ASP HBy A 18 GLU HBy 1.0 . 4.33 644 594 A 6 LEU HDy% A 6 LEU HBx 1.0 . 3.31 645 595 A 68 GLN HA A 68 GLN HBx 1.0 . 2.82 646 595 A 68 GLN HBy A 68 GLN HA 1.0 . 2.82 647 596 A 59 ILE HB A 56 MET HA 1.0 . 4.13 648 597 A 48 GLN HBy A 49 GLU H 1.0 . 3.85 649 598 A 70 MET H A 70 MET HE% 1.0 . 3.85 650 599 A 64 PHE HA A 70 MET HE% 1.0 . 3.58 651 600 A 24 SER HA A 70 MET HE% 1.0 . 4.73 652 601 A 64 PHE HBy A 70 MET HE% 1.0 . 4.41 653 602 A 64 PHE HBx A 70 MET HE% 1.0 . 3.32 654 603 A 53 SER H A 52 VAL HB 1.0 . 4.09 655 604 A 15 LEU HDx% A 15 LEU HBy 1.0 . 3.39 656 605 A 19 LYS HBx A 20 ASP H 1.0 . 4.63 657 606 A 31 LEU HG A 31 LEU HA 1.0 . 3.69 658 607 A 31 LEU HG A 27 PRO HGy 1.0 . 3.82 659 608 A 34 VAL HA A 33 ILE HB 1.0 . 4.51 660 609 A 33 ILE HB A 34 VAL HB 1.0 . 3.96 661 610 A 33 ILE HB A 33 ILE HD1% 1.0 . 3.28 662 611 A 61 PRO HGy A 36 SER HBx 1.0 . 3.43 663 611 A 36 SER HBy A 61 PRO HGy 1.0 . 3.43 664 612 A 19 LYS HA A 19 LYS HDx 1.0 . 3.66 665 612 A 19 LYS HDy A 19 LYS HA 1.0 . 3.66 666 613 A 7 ILE HB A 19 LYS HDx 1.0 . 3.88 667 613 A 7 ILE HB A 19 LYS HDy 1.0 . 3.88 668 614 A 19 LYS HGx A 19 LYS HDx 1.0 . 2.74 669 614 A 19 LYS HDy A 19 LYS HGx 1.0 . 2.74 670 615 A 66 THR H A 65 ALA HB% 1.0 . 3.55 671 616 A 64 PHE H A 65 ALA HB% 1.0 . 4.26 672 617 A 65 ALA HB% A 29 PHE HE% 1.0 . 4.10 673 618 A 65 ALA HB% A 62 ALA HA 1.0 . 3.28 674 619 A 66 THR HG2% A 65 ALA HB% 1.0 . 3.49 675 620 A 10 ILE HB A 13 GLN HGx 1.0 . 4.42 676 621 A 49 GLU HBx A 2 LEU HDx% 1.0 . 4.02 677 621 A 49 GLU HBx A 2 LEU HDy% 1.0 . 4.02 678 622 A 5 LYS HGy A 5 LYS HEx 1.0 . 4.03 679 622 A 5 LYS HEy A 5 LYS HGy 1.0 . 4.03 680 623 A 63 ASN H A 62 ALA HB% 1.0 . 3.30 681 624 A 37 ALA HB% A 36 SER HBx 1.0 . 4.80 682 624 A 36 SER HBy A 37 ALA HB% 1.0 . 4.80 683 625 A 6 LEU HDy% A 6 LEU HBy 1.0 . 3.31 684 626 A 39 ILE HB A 36 SER HBx 1.0 . 5.14 685 626 A 39 ILE HB A 36 SER HBy 1.0 . 5.14 686 627 A 39 ILE HB A 40 PHE HA 1.0 . 5.48 687 628 A 39 ILE HB A 59 ILE HG2% 1.0 . 4.14 688 629 A 76 ARG H A 72 ALA HB% 1.0 . 4.79 689 630 A 72 ALA HB% A 73 LEU H 1.0 . 3.22 690 631 A 35 ASP H A 34 VAL HB 1.0 . 4.20 691 632 A 78 LYS HGy A 78 LYS HEx 1.0 . 3.96 692 632 A 78 LYS HGy A 78 LYS HEy 1.0 . 3.96 693 633 A 22 LEU HBy A 22 LEU HDx% 1.0 . 3.77 694 634 A 22 LEU HBy A 22 LEU HDy% 1.0 . 3.77 695 635 A 38 ALA HB% A 10 ILE HG1y 1.0 . 3.99 696 636 A 78 LYS HBx A 79 ALA HB% 1.0 . 4.25 697 637 A 14 PHE HE% A 38 ALA HB% 1.0 . 3.63 698 638 A 38 ALA HB% A 34 VAL HGy% 1.0 . 3.48 699 639 A 73 LEU HG A 73 LEU HA 1.0 . 3.94 700 640 A 73 LEU HDx% A 73 LEU HBy 1.0 . 3.79 701 641 A 51 LYS HA A 51 LYS HGx 1.0 . 4.00 702 642 A 51 LYS HEy A 51 LYS HGx 1.0 . 3.92 703 642 A 51 LYS HGx A 51 LYS HEx 1.0 . 3.92 704 643 A 46 LEU HBx A 46 LEU HDx% 1.0 . 3.22 705 644 A 49 GLU HBy A 2 LEU HDx% 1.0 . 4.55 706 644 A 49 GLU HBy A 2 LEU HDy% 1.0 . 4.55 707 645 A 51 LYS HEx A 51 LYS HGy 1.0 . 3.92 708 645 A 51 LYS HEy A 51 LYS HGy 1.0 . 3.92 709 646 A 13 GLN H A 11 ALA HB% 1.0 . 4.87 710 647 A 11 ALA HB% A 12 THR H 1.0 . 3.51 711 648 A 22 LEU HBx A 11 ALA HB% 1.0 . 4.12 712 649 A 11 ALA HB% A 15 LEU HDx% 1.0 . 3.08 713 650 A 10 ILE HG2% A 13 GLN HGy 1.0 . 4.19 714 651 A 26 THR HG2% A 26 THR HA 1.0 . 3.15 715 652 A 26 THR HG2% A 27 PRO HDx 1.0 . 3.28 716 653 A 26 THR HG2% A 27 PRO HGy 1.0 . 4.11 717 654 A 26 THR HG2% A 31 LEU HG 1.0 . 3.73 718 655 A 12 THR HA A 12 THR HG2% 1.0 . 3.09 719 656 A 12 THR HG2% A 17 GLY HAx 1.0 . 4.09 720 657 A 6 LEU HDx% A 6 LEU HA 1.0 . 3.90 721 658 A 6 LEU HDx% A 6 LEU HBx 1.0 . 3.25 722 659 A 6 LEU HDx% A 6 LEU HBy 1.0 . 3.25 723 660 A 75 GLN H A 74 VAL HGy% 1.0 . 4.12 724 661 A 24 SER HA A 67 VAL HGx% 1.0 . 4.16 725 662 A 67 VAL HA A 67 VAL HGx% 1.0 . 3.34 726 663 A 68 GLN H A 67 VAL HGy% 1.0 . 4.09 727 664 A 28 LEU HBx A 28 LEU HDx% 1.0 . 3.81 728 665 A 28 LEU HBx A 28 LEU HDy% 1.0 . 3.81 729 666 A 6 LEU HDy% A 6 LEU HA 1.0 . 4.29 730 667 A 10 ILE HG1x A 10 ILE HG2% 1.0 . 3.28 731 668 A 10 ILE HA A 10 ILE HG1x 1.0 . 4.06 732 669 A 46 LEU HA A 46 LEU HDy% 1.0 . 4.34 733 670 A 46 LEU HBx A 46 LEU HDy% 1.0 . 3.22 734 671 A 34 VAL HGx% A 42 LEU HDy% 1.0 . 4.95 735 672 A 75 GLN H A 74 VAL HGx% 1.0 . 4.12 736 673 A 46 LEU HA A 46 LEU HDx% 1.0 . 4.34 737 674 A 31 LEU HDy% A 31 LEU HA 1.0 . 2.67 738 675 A 31 LEU HBx A 31 LEU HDy% 1.0 . 2.93 739 676 A 54 ILE HG2% A 55 GLY H 1.0 . 4.04 740 677 A 31 LEU HDx% A 31 LEU HA 1.0 . 4.00 741 678 A 31 LEU HDx% A 27 PRO HGx 1.0 . 3.32 742 679 A 31 LEU HBx A 31 LEU HDx% 1.0 . 3.00 743 680 A 7 ILE HG2% A 19 LYS HA 1.0 . 4.04 744 681 A 7 ILE HG2% A 19 LYS HEx 1.0 . 4.99 745 681 A 7 ILE HG2% A 19 LYS HEy 1.0 . 4.99 746 682 A 7 ILE HG2% A 22 LEU HBx 1.0 . 3.30 747 683 A 7 ILE HG2% A 22 LEU HBy 1.0 . 4.39 748 684 A 78 LYS HEy A 52 VAL HGx% 1.0 . 4.39 749 684 A 52 VAL HGx% A 78 LYS HEx 1.0 . 4.39 750 685 A 54 ILE HD1% A 55 GLY H 1.0 . 3.98 751 686 A 54 ILE HD1% A 43 VAL HA 1.0 . 4.90 752 687 A 77 LEU HDy% A 77 LEU HA 1.0 . 4.09 753 688 A 77 LEU HDy% A 74 VAL HA 1.0 . 3.84 754 689 A 59 ILE HD1% A 40 PHE HD% 1.0 . 4.24 755 690 A 56 MET HA A 59 ILE HD1% 1.0 . 3.12 756 691 A 59 ILE HA A 59 ILE HD1% 1.0 . 3.85 757 692 A 59 ILE HB A 59 ILE HD1% 1.0 . 2.99 758 693 A 59 ILE HG2% A 59 ILE HD1% 1.0 . 2.84 759 694 A 39 ILE HG2% A 59 ILE HD1% 1.0 . 4.10 760 695 A 7 ILE HD1% A 23 ASP HA 1.0 . 3.39 761 696 A 7 ILE HD1% A 7 ILE HA 1.0 . 3.97 762 697 A 7 ILE HD1% A 23 ASP HBy 1.0 . 4.61 763 698 A 52 VAL HA A 52 VAL HGy% 1.0 . 3.50 764 699 A 10 ILE HB A 10 ILE HD1% 1.0 . 3.02 765 700 A 28 LEU H A 28 LEU HDy% 1.0 . 3.73 766 701 A 28 LEU HBy A 28 LEU HDy% 1.0 . 3.33 767 702 A 59 ILE HG2% A 59 ILE HG1y 1.0 . 3.83 768 703 A 28 LEU HBy A 28 LEU HDx% 1.0 . 3.33 769 704 A 34 VAL HGx% A 28 LEU HDx% 1.0 . 3.96 770 705 A 33 ILE HG2% A 34 VAL HB 1.0 . 3.85 771 706 A 33 ILE HG2% A 34 VAL HGx% 1.0 . 4.44 772 707 A 73 LEU HDx% A 73 LEU HA 1.0 . 3.90 773 708 A 70 MET HA A 73 LEU HDx% 1.0 . 4.84 774 709 A 39 ILE HG2% A 39 ILE HG1y 1.0 . 3.92 775 710 A 59 ILE HG2% A 59 ILE HG1x 1.0 . 3.83 776 711 A 59 ILE HG2% A 39 ILE HG2% 1.0 . 3.40 777 712 A 39 ILE HD1% A 64 PHE H 1.0 . 4.05 778 713 A 61 PRO HA A 39 ILE HD1% 1.0 . 3.28 779 714 A 39 ILE HD1% A 64 PHE HBx 1.0 . 4.04 780 715 A 39 ILE HB A 39 ILE HD1% 1.0 . 3.35 781 716 A 39 ILE HD1% A 39 ILE HG2% 1.0 . 3.15 782 717 A 35 ASP H A 34 VAL HGy% 1.0 . 3.78 783 718 A 14 PHE HE% A 34 VAL HGy% 1.0 . 3.99 784 719 A 34 VAL HA A 34 VAL HGy% 1.0 . 3.41 785 720 A 14 PHE HE% A 34 VAL HGx% 1.0 . 4.79 786 721 A 35 ASP HA A 34 VAL HGx% 1.0 . 4.38 787 722 A 34 VAL HA A 34 VAL HGx% 1.0 . 3.43 788 723 A 34 VAL HGx% A 33 ILE HB 1.0 . 3.91 789 724 A 34 VAL HGx% A 28 LEU HDy% 1.0 . 3.96 790 725 A 40 PHE H A 39 ILE HG2% 1.0 . 3.62 791 726 A 40 PHE HA A 39 ILE HG2% 1.0 . 3.94 792 727 A 61 PRO HA A 39 ILE HG2% 1.0 . 4.44 793 728 A 39 ILE HG2% A 39 ILE HA 1.0 . 3.52 794 729 A 39 ILE HG2% A 39 ILE HG1x 1.0 . 3.92 795 730 A 60 HIS HA A 61 PRO HDx 1.0 . 3.09 796 731 A 61 PRO HDy A 60 HIS HA 1.0 . 3.12 797 732 A 14 PHE HE% A 14 PHE HA 1.0 . 4.35 798 733 A 31 LEU HG A 27 PRO HGx 1.0 . 2.81 799 734 A 27 PRO HBx A 66 THR HG2% 1.0 . 4.35 800 735 A 5 LYS H A 4 SER HBx 1.0 . 3.98 801 735 A 5 LYS H A 4 SER HBy 1.0 . 3.98 802 736 A 77 LEU HDx% A 78 LYS HDx 1.0 . 3.54 803 736 A 77 LEU HDx% A 78 LYS HDy 1.0 . 3.54 804 737 A 10 ILE HA A 10 ILE HG2% 1.0 . 3.33 805 738 A 14 PHE HBy A 10 ILE HG2% 1.0 . 4.52 806 739 A 10 ILE HG2% A 13 GLN HGx 1.0 . 4.19 807 740 A 25 GLN HA A 25 GLN HGx 1.0 . 3.50 808 741 A 48 GLN HA A 48 GLN HGy 1.0 . 3.40 809 742 A 33 ILE HA A 33 ILE HG1x 1.0 . 3.83 810 743 A 33 ILE HG2% A 33 ILE HA 1.0 . 3.15 811 744 A 56 MET HBy A 56 MET HGx 1.0 . 2.83 812 744 A 56 MET HGx A 56 MET HBx 1.0 . 2.83 813 745 A 56 MET HBx A 56 MET HGy 1.0 . 2.83 814 745 A 56 MET HBy A 56 MET HGy 1.0 . 2.83 815 746 A 61 PRO HDy A 60 HIS HBx 1.0 . 4.10 816 746 A 60 HIS HBy A 61 PRO HDy 1.0 . 4.10 817 747 A 61 PRO HDx A 60 HIS HBx 1.0 . 3.45 818 747 A 60 HIS HBy A 61 PRO HDx 1.0 . 3.45 819 748 A 66 THR HA A 28 LEU HG 1.0 . 4.59 820 749 A 75 GLN HBy A 75 GLN H 1.0 . 3.66 821 750 A 77 LEU HG A 77 LEU HA 1.0 . 4.06 822 751 A 77 LEU HDx% A 78 LYS HBy 1.0 . 4.38 823 752 A 78 LYS HBx A 77 LEU HDx% 1.0 . 3.96 824 753 A 78 LYS HGx A 78 LYS HEx 1.0 . 3.97 825 753 A 78 LYS HGx A 78 LYS HEy 1.0 . 3.97 826 754 A 78 LYS HGx A 78 LYS HA 1.0 . 4.01 827 755 A 65 ALA H A 62 ALA HA 1.0 . 4.23 828 756 A 78 LYS HBy A 79 ALA HA 1.0 . 4.30 829 757 A 16 ASP HA A 17 GLY HAy 1.0 . 4.45 830 758 A 12 THR HB A 13 GLN HBy 1.0 . 4.28 831 759 A 68 GLN HA A 67 VAL HA 1.0 . 4.87 832 760 A 47 ARG H A 43 VAL HA 1.0 . 5.00 833 761 A 74 VAL HA A 77 LEU HBy 1.0 . 5.04 834 762 A 38 ALA HA A 41 ASP HBx 1.0 . 4.66 835 763 A 45 PHE HBy A 46 LEU HDy% 1.0 . 5.06 836 764 A 7 ILE HG2% A 8 ASN HBx 1.0 . 4.22 837 764 A 8 ASN HBy A 7 ILE HG2% 1.0 . 4.22 838 765 A 14 PHE HBy A 15 LEU HG 1.0 . 4.31 839 766 A 73 LEU HDy% A 63 ASN HBx 1.0 . 4.31 840 767 A 73 LEU HDx% A 63 ASN HBx 1.0 . 4.17 841 768 A 73 LEU HDy% A 63 ASN HBy 1.0 . 4.31 842 769 A 66 THR HG2% A 27 PRO HBy 1.0 . 4.31 843 770 A 67 VAL HB A 68 GLN H 1.0 . 4.26 844 771 A 71 VAL HB A 72 ALA HB% 1.0 . 4.17 845 772 A 59 ILE HG2% A 56 MET HE% 1.0 . 4.19 846 773 A 31 LEU H A 30 GLU HBx 1.0 . 4.44 847 774 A 43 VAL HA A 46 LEU HBy 1.0 . 4.28 848 775 A 39 ILE HD1% A 70 MET HE% 1.0 . 4.49 849 776 A 11 ALA HB% A 15 LEU HBy 1.0 . 4.22 850 777 A 56 MET HA A 59 ILE HG1x 1.0 . 4.44 851 778 A 31 LEU HG A 28 LEU HA 1.0 . 4.67 852 779 A 63 ASN HA A 65 ALA HB% 1.0 . 4.79 853 780 A 66 THR HA A 65 ALA HB% 1.0 . 5.15 854 781 A 15 LEU HG A 11 ALA HA 1.0 . 4.26 855 782 A 28 LEU HBy A 34 VAL HGx% 1.0 . 4.24 856 783 A 28 LEU HBx A 34 VAL HB 1.0 . 4.42 857 784 A 10 ILE HB A 13 GLN HGy 1.0 . 4.42 858 785 A 26 THR HG2% A 27 PRO HGx 1.0 . 4.26 859 786 A 39 ILE HA A 39 ILE HG1x 1.0 . 4.19 860 787 A 17 GLY H A 12 THR HG2% 1.0 . 4.20 861 788 A 7 ILE H A 6 LEU HDx% 1.0 . 4.30 862 789 A 34 VAL HGx% A 28 LEU HBx 1.0 . 4.13 863 790 A 45 PHE HE% A 2 LEU HDx% 1.0 . 4.36 864 790 A 2 LEU HDy% A 45 PHE HE% 1.0 . 4.36 865 791 A 45 PHE HZ A 2 LEU HDx% 1.0 . 4.90 866 791 A 2 LEU HDy% A 45 PHE HZ 1.0 . 4.90 867 792 A 54 ILE HG2% A 64 PHE HZ 1.0 . 4.52 868 793 A 22 LEU HA A 22 LEU HDx% 1.0 . 4.33 869 794 A 7 ILE HG2% A 11 ALA HA 1.0 . 4.31 870 795 A 63 ASN HA A 73 LEU HDy% 1.0 . 4.25 871 796 A 53 SER H A 52 VAL HGy% 1.0 . 4.22 872 797 A 59 ILE HA A 59 ILE HG1y 1.0 . 4.16 873 798 A 39 ILE HA A 39 ILE HG1y 1.0 . 4.19 874 799 A 56 MET HA A 59 ILE HG2% 1.0 . 4.26 875 800 A 39 ILE HD1% A 65 ALA H 1.0 . 5.32 876 801 A 39 ILE HD1% A 61 PRO HDy 1.0 . 4.78 877 802 A 43 VAL HB A 39 ILE HG2% 1.0 . 4.98 878 803 A 61 PRO HA A 64 PHE HBx 1.0 . 4.33 879 804 A 38 ALA HA A 41 ASP HBy 1.0 . 4.66 880 805 A 27 PRO HBx A 31 LEU HBy 1.0 . 5.25 881 806 A 41 ASP H A 40 PHE HBx 1.0 . 4.15 882 807 A 41 ASP H A 40 PHE HBy 1.0 . 4.15 883 808 A 39 ILE HA A 42 LEU HBy 1.0 . 4.27 884 809 A 46 LEU H A 45 PHE HBx 1.0 . 4.33 885 810 A 78 LYS HBy A 78 LYS HEx 1.0 . 4.28 886 810 A 78 LYS HBy A 78 LYS HEy 1.0 . 4.28 887 811 A 78 LYS HBx A 78 LYS HEx 1.0 . 4.52 888 811 A 78 LYS HBx A 78 LYS HEy 1.0 . 4.52 889 812 A 54 ILE HD1% A 55 GLY HAx 1.0 . 5.50 890 813 A 8 ASN H A 4 SER HA 1.0 . 4.47 891 814 A 11 ALA H A 9 HIS HA 1.0 . 4.98 892 815 A 76 ARG H A 72 ALA HA 1.0 . 4.75 893 816 A 11 ALA H A 12 THR HB 1.0 . 5.41 894 817 A 45 PHE HZ A 6 LEU HA 1.0 . 5.20 895 818 A 26 THR HB A 28 LEU HA 1.0 . 5.50 896 819 A 54 ILE HD1% A 55 GLY HAy 1.0 . 5.50 897 820 A 34 VAL HA A 28 LEU HBx 1.0 . 5.50 898 821 A 70 MET H A 67 VAL HA 1.0 . 4.34 899 822 A 2 LEU HG A 3 GLU HA 1.0 . 4.42 900 823 A 64 PHE HBy A 39 ILE HD1% 1.0 . 4.46 901 824 A 14 PHE HBx A 15 LEU HG 1.0 . 4.43 902 825 A 42 LEU H A 39 ILE HA 1.0 . 4.46 903 826 A 45 PHE HBy A 46 LEU HG 1.0 . 4.53 904 827 A 7 ILE HB A 8 ASN HBx 1.0 . 4.37 905 827 A 8 ASN HBy A 7 ILE HB 1.0 . 4.37 906 828 A 48 GLN HBx A 44 ASP HBy 1.0 . 5.46 907 829 A 20 ASP H A 18 GLU HGx 1.0 . 5.32 908 830 A 70 MET HA A 73 LEU HBx 1.0 . 4.90 909 831 A 58 GLU H A 57 GLN HBx 1.0 . 4.42 910 831 A 58 GLU H A 57 GLN HBy 1.0 . 4.42 911 832 A 71 VAL H A 70 MET HE% 1.0 . 4.63 912 833 A 34 VAL HGx% A 70 MET HE% 1.0 . 4.74 913 834 A 7 ILE HB A 4 SER HBx 1.0 . 4.72 914 834 A 7 ILE HB A 4 SER HBy 1.0 . 4.72 915 835 A 53 SER HA A 47 ARG HGx 1.0 . 5.20 916 836 A 27 PRO HA A 28 LEU HG 1.0 . 5.50 917 837 A 31 LEU HG A 33 ILE H 1.0 . 5.39 918 838 A 22 LEU HBx A 19 LYS HA 1.0 . 5.04 919 839 A 12 THR HB A 13 GLN HGx 1.0 . 5.29 920 840 A 28 LEU HBy A 65 ALA HA 1.0 . 4.63 921 841 A 72 ALA HB% A 69 SER H 1.0 . 4.85 922 842 A 38 ALA HB% A 34 VAL HGx% 1.0 . 4.55 923 843 A 70 MET HA A 73 LEU HBy 1.0 . 4.90 924 844 A 43 VAL HA A 46 LEU HBx 1.0 . 4.85 925 845 A 11 ALA HB% A 17 GLY HAx 1.0 . 4.54 926 846 A 36 SER HA A 39 ILE HG1x 1.0 . 4.93 927 847 A 6 LEU H A 2 LEU HDx% 1.0 . 5.41 928 847 A 6 LEU H A 2 LEU HDy% 1.0 . 5.41 929 848 A 15 LEU HDx% A 20 ASP H 1.0 . 4.40 930 849 A 14 PHE HBy A 15 LEU HDx% 1.0 . 4.43 931 850 A 54 ILE HG2% A 44 ASP H 1.0 . 5.50 932 851 A 58 GLU H A 54 ILE HG2% 1.0 . 5.50 933 852 A 33 ILE H A 31 LEU HDx% 1.0 . 4.80 934 853 A 7 ILE HG2% A 23 ASP HA 1.0 . 4.71 935 854 A 54 ILE HD1% A 64 PHE HZ 1.0 . 4.43 936 855 A 8 ASN H A 7 ILE HD1% 1.0 . 4.42 937 856 A 7 ILE HD1% A 23 ASP HBx 1.0 . 4.61 938 857 A 78 LYS HEy A 52 VAL HGy% 1.0 . 4.39 939 857 A 52 VAL HGy% A 78 LYS HEx 1.0 . 4.39 940 858 A 34 VAL H A 33 ILE HD1% 1.0 . 4.55 941 859 A 13 GLN H A 10 ILE HD1% 1.0 . 4.96 942 860 A 56 MET HA A 59 ILE HG1y 1.0 . 4.44 943 861 A 73 LEU HDx% A 64 PHE HZ 1.0 . 5.01 944 862 A 63 ASN HA A 73 LEU HDx% 1.0 . 5.50 945 863 A 35 ASP HA A 34 VAL HGy% 1.0 . 4.57 946 864 A 14 PHE HBx A 34 VAL HGy% 1.0 . 5.50 947 865 A 34 VAL HGy% A 42 LEU HG 1.0 . 5.39 948 866 A 34 VAL HGy% A 33 ILE HB 1.0 . 5.26 949 867 A 34 VAL HGx% A 33 ILE H 1.0 . 4.39 950 868 A 80 HIS HA A 81 PRO HGx 1.0 . 4.36 951 868 A 80 HIS HA A 81 PRO HGy 1.0 . 4.36 952 869 A 61 PRO HGx A 60 HIS HBx 1.0 . 4.63 953 869 A 60 HIS HBy A 61 PRO HGx 1.0 . 4.63 954 870 A 31 LEU H A 30 GLU HBy 1.0 . 4.44 955 871 A 33 ILE H A 31 LEU HBy 1.0 . 4.41 956 872 A 46 LEU HBx A 47 ARG HA 1.0 . 4.55 957 873 A 73 LEU HG A 77 LEU HG 1.0 . 4.54 958 874 A 59 ILE H A 57 GLN HA 1.0 . 4.70 959 875 A 31 LEU HBy A 27 PRO HDy 1.0 . 5.50 960 876 A 78 LYS HA A 78 LYS HEx 1.0 . 4.88 961 876 A 78 LYS HA A 78 LYS HEy 1.0 . 4.88 962 877 A 39 ILE HD1% A 36 SER HBx 1.0 . 5.31 963 877 A 39 ILE HD1% A 36 SER HBy 1.0 . 5.31 964 878 A 78 LYS HEy A 50 SER HBx 1.0 . 5.08 965 878 A 50 SER HBx A 78 LYS HEx 1.0 . 5.08 966 879 A 14 PHE HE% A 34 VAL HA 1.0 . 4.69 967 880 A 78 LYS HEy A 50 SER HBy 1.0 . 5.08 968 880 A 50 SER HBy A 78 LYS HEx 1.0 . 5.08 969 881 A 33 ILE H A 28 LEU HA 1.0 . 5.09 970 882 A 60 HIS H A 61 PRO HDy 1.0 . 5.09 971 883 A 45 PHE H A 43 VAL HA 1.0 . 4.77 972 884 A 14 PHE HBy A 10 ILE HA 1.0 . 4.99 973 885 A 15 LEU HA A 16 ASP HBx 1.0 . 5.11 974 886 A 18 GLU HBx A 16 ASP HBx 1.0 . 4.93 975 887 A 44 ASP HBx A 45 PHE HA 1.0 . 5.16 976 888 A 8 ASN HBx A 19 LYS HDx 1.0 . 4.65 977 888 A 19 LYS HDy A 8 ASN HBx 1.0 . 4.65 978 888 A 8 ASN HBy A 19 LYS HDy 1.0 . 4.65 979 888 A 8 ASN HBy A 19 LYS HDx 1.0 . 4.65 980 889 A 44 ASP HBy A 45 PHE HA 1.0 . 5.07 981 890 A 18 GLU HBx A 16 ASP HBy 1.0 . 4.93 982 891 A 15 LEU HA A 16 ASP HBy 1.0 . 5.11 983 892 A 31 LEU H A 30 GLU HGx 1.0 . 5.09 984 893 A 31 LEU H A 30 GLU HGy 1.0 . 5.09 985 894 A 19 LYS H A 18 GLU HGy 1.0 . 4.92 986 895 A 19 LYS H A 18 GLU HGx 1.0 . 5.50 987 896 A 20 ASP H A 15 LEU HBx 1.0 . 5.04 988 897 A 18 GLU H A 15 LEU HBx 1.0 . 4.87 989 898 A 67 VAL H A 68 GLN HBx 1.0 . 5.00 990 898 A 68 GLN HBy A 67 VAL H 1.0 . 5.00 991 899 A 59 ILE HB A 58 GLU H 1.0 . 4.76 992 900 A 67 VAL H A 70 MET HE% 1.0 . 4.95 993 901 A 65 ALA H A 70 MET HE% 1.0 . 5.09 994 902 A 18 GLU H A 15 LEU HBy 1.0 . 5.12 995 903 A 64 PHE HA A 70 MET HGy 1.0 . 4.99 996 904 A 7 ILE H A 6 LEU HG 1.0 . 5.17 997 905 A 6 LEU HG A 45 PHE HE% 1.0 . 5.50 998 906 A 6 LEU HG A 45 PHE HZ 1.0 . 5.50 999 907 A 19 LYS HBx A 20 ASP HBx 1.0 . 4.77 1000 907 A 20 ASP HBy A 19 LYS HBx 1.0 . 4.77 1001 908 A 20 ASP H A 19 LYS HGx 1.0 . 5.50 1002 909 A 32 ASN HA A 33 ILE HB 1.0 . 5.19 1003 910 A 55 GLY H A 54 ILE HB 1.0 . 4.97 1004 911 A 53 SER HA A 54 ILE HB 1.0 . 4.78 1005 912 A 39 ILE HD1% A 61 PRO HGy 1.0 . 5.36 1006 913 A 45 PHE HE% A 49 GLU HGx 1.0 . 5.16 1007 914 A 20 ASP H A 19 LYS HDx 1.0 . 5.38 1008 914 A 20 ASP H A 19 LYS HDy 1.0 . 5.38 1009 915 A 29 PHE H A 65 ALA HB% 1.0 . 5.06 1010 916 A 28 LEU H A 65 ALA HB% 1.0 . 5.04 1011 917 A 64 PHE HBy A 65 ALA HB% 1.0 . 5.24 1012 918 A 28 LEU HBy A 33 ILE H 1.0 . 5.50 1013 919 A 27 PRO HA A 28 LEU HBy 1.0 . 5.07 1014 920 A 66 THR HA A 28 LEU HBy 1.0 . 4.89 1015 921 A 72 ALA HB% A 71 VAL HA 1.0 . 5.14 1016 922 A 75 GLN HBy A 78 LYS HGy 1.0 . 5.50 1017 923 A 34 VAL H A 33 ILE HG1x 1.0 . 5.03 1018 924 A 22 LEU HBy A 19 LYS HA 1.0 . 5.50 1019 925 A 23 ASP H A 22 LEU HBy 1.0 . 5.12 1020 926 A 11 ALA HA A 22 LEU HBy 1.0 . 5.50 1021 927 A 14 PHE HBx A 38 ALA HB% 1.0 . 5.50 1022 928 A 70 MET HA A 73 LEU HG 1.0 . 4.95 1023 929 A 75 GLN H A 73 LEU HG 1.0 . 5.12 1024 930 A 20 ASP H A 19 LYS HGy 1.0 . 4.84 1025 931 A 50 SER HA A 51 LYS HGx 1.0 . 5.39 1026 932 A 50 SER HA A 51 LYS HGy 1.0 . 5.39 1027 933 A 15 LEU H A 11 ALA HB% 1.0 . 4.93 1028 934 A 11 ALA HB% A 10 ILE HA 1.0 . 4.95 1029 935 A 12 THR HB A 13 GLN HGy 1.0 . 5.29 1030 936 A 28 LEU H A 26 THR HG2% 1.0 . 4.86 1031 937 A 40 PHE H A 39 ILE HG1x 1.0 . 5.32 1032 938 A 25 GLN H A 67 VAL HGx% 1.0 . 5.50 1033 939 A 25 GLN H A 67 VAL HGy% 1.0 . 5.50 1034 940 A 28 LEU HBx A 29 PHE HA 1.0 . 5.12 1035 941 A 34 VAL HGx% A 42 LEU HDx% 1.0 . 4.95 1036 942 A 5 LYS H A 2 LEU HDx% 1.0 . 5.27 1037 942 A 5 LYS H A 2 LEU HDy% 1.0 . 5.27 1038 943 A 10 ILE HA A 13 GLN HBy 1.0 . 5.21 1039 944 A 45 PHE HBy A 46 LEU HDx% 1.0 . 5.06 1040 945 A 59 ILE H A 54 ILE HG2% 1.0 . 5.23 1041 946 A 54 ILE HD1% A 64 PHE HE% 1.0 . 4.69 1042 947 A 77 LEU HDy% A 55 GLY H 1.0 . 5.50 1043 948 A 73 LEU HDy% A 64 PHE HZ 1.0 . 5.19 1044 949 A 56 MET H A 59 ILE HD1% 1.0 . 4.84 1045 950 A 58 GLU H A 59 ILE HD1% 1.0 . 4.99 1046 951 A 59 ILE HD1% A 64 PHE HZ 1.0 . 5.50 1047 952 A 10 ILE HA A 13 GLN HBx 1.0 . 5.50 1048 953 A 29 PHE H A 28 LEU HDy% 1.0 . 4.96 1049 954 A 67 VAL H A 28 LEU HDx% 1.0 . 5.06 1050 955 A 75 GLN H A 73 LEU HDx% 1.0 . 5.50 1051 956 A 73 LEU HDx% A 74 VAL HA 1.0 . 5.16 1052 957 A 40 PHE H A 39 ILE HG1y 1.0 . 5.32 1053 958 A 36 SER HA A 39 ILE HG1y 1.0 . 4.93 1054 959 A 64 PHE HBy A 59 ILE HG2% 1.0 . 5.50 1055 960 A 39 ILE HD1% A 60 HIS HA 1.0 . 5.16 1056 961 A 34 VAL HGx% A 32 ASN HA 1.0 . 4.86 1057 962 A 64 PHE HBx A 39 ILE HG2% 1.0 . 4.88 1058 963 A 61 PRO HA A 65 ALA H 1.0 . 4.68 1059 964 A 70 MET HBx A 71 VAL H 1.0 . 5.04 1060 965 A 70 MET HBx A 64 PHE H 1.0 . 5.50 1061 966 A 64 PHE HA A 70 MET HGx 1.0 . 4.99 1062 967 A 45 PHE HE% A 49 GLU HGy 1.0 . 5.16 1063 968 A 39 ILE HD1% A 61 PRO HGx 1.0 . 5.50 1064 969 A 10 ILE HG1y A 9 HIS HBx 1.0 . 4.65 1065 969 A 9 HIS HBy A 10 ILE HG1y 1.0 . 4.65 1066 970 A 52 VAL HA A 78 LYS HDx 1.0 . 5.24 1067 970 A 52 VAL HA A 78 LYS HDy 1.0 . 5.24 1068 971 A 21 GLY HAy A 20 ASP HBx 1.0 . 4.73 1069 971 A 20 ASP HBy A 21 GLY HAy 1.0 . 4.73 1070 972 A 23 ASP H A 22 LEU HG 1.0 . 5.13 1071 973 A 31 LEU HBx A 28 LEU HA 1.0 . 5.50 1072 974 A 31 LEU HBx A 33 ILE H 1.0 . 4.71 1073 975 A 28 LEU HA A 31 LEU HBy 1.0 . 4.69 1074 976 A 55 GLY H A 54 ILE HG1x 1.0 . 5.12 1075 977 A 61 PRO HA A 60 HIS HBx 1.0 . 4.78 1076 977 A 61 PRO HA A 60 HIS HBy 1.0 . 4.78 1077 978 A 59 ILE HG2% A 60 HIS HBx 1.0 . 5.14 1078 978 A 60 HIS HBy A 59 ILE HG2% 1.0 . 5.14 1079 979 A 70 MET HBy A 64 PHE H 1.0 . 4.95 1080 980 A 70 MET HBy A 64 PHE HBy 1.0 . 5.15 1081 981 A 75 GLN HBy A 78 LYS HGx 1.0 . 5.07 1082 982 A 83 GLN HGy A 80 HIS HBx 1.0 . 4.89 1083 982 A 80 HIS HBx A 83 GLN HGx 1.0 . 4.89 1084 983 A 21 GLY HAy A 22 LEU HBy 1.0 . 5.26 1085 984 A 86 ALA HB% A 85 GLY HAx 1.0 . 5.47 1086 984 A 86 ALA HB% A 85 GLY HAy 1.0 . 5.47 1087 985 A 28 LEU HG A 67 VAL H 1.0 . 5.50 1088 986 A 59 ILE HB A 39 ILE HG2% 1.0 . 5.34 1089 987 A 9 HIS HD2 A 9 HIS HBx 1.0 . 3.76 1090 987 A 9 HIS HBy A 9 HIS HD2 1.0 . 3.76 1091 988 A 29 PHE HA A 29 PHE HD% 1.0 . 3.25 1092 989 A 40 PHE HA A 40 PHE HD% 1.0 . 3.13 1093 990 A 45 PHE HA A 45 PHE HD% 1.0 . 3.08 1094 991 A 6 LEU HDy% A 45 PHE HE% 1.0 . 4.17 1095 992 A 45 PHE HE% A 6 LEU HA 1.0 . 3.92 1096 993 A 2 LEU HG A 45 PHE HE% 1.0 . 3.54 1097 994 A 2 LEU HG A 45 PHE HZ 1.0 . 4.10 1098 995 A 60 HIS HD2 A 60 HIS HBx 1.0 . 2.99 1099 995 A 60 HIS HBy A 60 HIS HD2 1.0 . 2.99 1100 996 A 59 ILE HA A 64 PHE HE% 1.0 . 3.46 1101 997 A 40 PHE HA A 40 PHE HE% 1.0 . 4.86 1102 998 A 14 PHE HA A 14 PHE HD% 1.0 . 2.95 1103 999 A 14 PHE H A 14 PHE HD% 1.0 . 3.31 1104 1000 A 10 ILE HG1y A 14 PHE HD% 1.0 . 4.57 1105 1001 A 34 VAL HB A 14 PHE HD% 1.0 . 3.88 1106 1002 A 34 VAL HA A 14 PHE HD% 1.0 . 3.94 1107 1003 A 65 ALA HA A 29 PHE HE% 1.0 . 3.32 1108 1004 A 65 ALA HA A 29 PHE HD% 1.0 . 3.22 1109 1005 A 9 HIS HA A 9 HIS HD2 1.0 . 4.26 1110 1006 A 10 ILE HB A 9 HIS HD2 1.0 . 4.70 1111 1007 A 10 ILE HG1y A 9 HIS HD2 1.0 . 5.09 1112 1008 A 29 PHE H A 29 PHE HD% 1.0 . 3.60 1113 1009 A 46 LEU H A 45 PHE HD% 1.0 . 4.26 1114 1010 A 10 ILE HA A 9 HIS HD2 1.0 . 4.60 1115 1011 A 14 PHE HE% A 34 VAL HB 1.0 . 3.87 1116 1012 A 28 LEU H A 29 PHE HD% 1.0 . 4.89 1117 1013 A 29 PHE HD% A 29 PHE HZ 1.0 . 3.90 1118 1014 A 28 LEU HBy A 29 PHE HD% 1.0 . 3.90 1119 1015 A 59 ILE HG2% A 40 PHE HD% 1.0 . 4.72 1120 1016 A 64 PHE HA A 64 PHE HD% 1.0 . 3.48 1121 1017 A 61 PRO HA A 64 PHE HD% 1.0 . 4.16 1122 1018 A 45 PHE H A 45 PHE HD% 1.0 . 4.30 1123 1019 A 46 LEU HA A 45 PHE HD% 1.0 . 3.97 1124 1020 A 6 LEU HDy% A 45 PHE HD% 1.0 . 3.80 1125 1021 A 6 LEU H A 45 PHE HE% 1.0 . 4.42 1126 1022 A 45 PHE HE% A 9 HIS HBx 1.0 . 5.28 1127 1022 A 9 HIS HBy A 45 PHE HE% 1.0 . 5.28 1128 1023 A 46 LEU H A 64 PHE HE% 1.0 . 4.94 1129 1024 A 43 VAL H A 64 PHE HE% 1.0 . 4.39 1130 1025 A 43 VAL HA A 64 PHE HE% 1.0 . 3.94 1131 1026 A 64 PHE HE% A 73 LEU HDy% 1.0 . 2.84 1132 1027 A 62 ALA HA A 60 HIS HD2 1.0 . 5.19 1133 1028 A 61 PRO HDy A 60 HIS HD2 1.0 . 5.50 1134 1029 A 61 PRO HDx A 60 HIS HD2 1.0 . 4.35 1135 1030 A 61 PRO HGx A 60 HIS HD2 1.0 . 5.34 1136 1031 A 64 PHE HZ A 64 PHE HD% 1.0 . 3.80 1137 1032 A 43 VAL HA A 64 PHE HZ 1.0 . 4.52 1138 1033 A 43 VAL HB A 64 PHE HZ 1.0 . 4.53 1139 1034 A 29 PHE HA A 29 PHE HE% 1.0 . 4.57 1140 1035 A 38 ALA HA A 14 PHE HZ 1.0 . 4.51 1141 1036 A 65 ALA HB% A 29 PHE HD% 1.0 . 4.24 1142 1037 A 59 ILE HA A 64 PHE HZ 1.0 . 4.72 1143 1038 A 56 MET HE% A 40 PHE HE% 1.0 . 4.89 1144 1039 A 2 LEU HDx% A 49 GLU HGx 1.0 . 2.66 1145 1039 A 2 LEU HDy% A 49 GLU HGx 1.0 . 2.66 1146 1039 A 49 GLU HGy A 2 LEU HDx% 1.0 . 2.66 1147 1039 A 2 LEU HDy% A 49 GLU HGy 1.0 . 2.66 1148 1040 A 3 GLU H A 3 GLU HBy 1.0 . 3.47 1149 1040 A 3 GLU H A 3 GLU HBx 1.0 . 3.47 1150 1041 A 3 GLU H A 3 GLU HGy 1.0 . 4.00 1151 1041 A 3 GLU H A 3 GLU HGx 1.0 . 4.00 1152 1042 A 3 GLU HA A 3 GLU HGy 1.0 . 3.47 1153 1042 A 3 GLU HA A 3 GLU HGx 1.0 . 3.47 1154 1043 A 3 GLU HA A 6 LEU HBy 1.0 . 5.00 1155 1043 A 3 GLU HA A 6 LEU HBx 1.0 . 5.00 1156 1044 A 3 GLU HA A 24 SER HBx 1.0 . 5.34 1157 1044 A 3 GLU HA A 24 SER HBy 1.0 . 5.34 1158 1045 A 4 SER H A 3 GLU HBy 1.0 . 3.57 1159 1045 A 4 SER H A 3 GLU HBx 1.0 . 3.57 1160 1046 A 6 LEU HDx% A 3 GLU HBy 1.0 . 4.93 1161 1046 A 6 LEU HDx% A 3 GLU HBx 1.0 . 4.93 1162 1047 A 3 GLU HBy A 24 SER HBx 1.0 . 4.73 1163 1047 A 3 GLU HBx A 24 SER HBx 1.0 . 4.73 1164 1047 A 24 SER HBy A 3 GLU HBy 1.0 . 4.73 1165 1047 A 3 GLU HBx A 24 SER HBy 1.0 . 4.73 1166 1048 A 6 LEU HDy% A 3 GLU HGy 1.0 . 3.83 1167 1048 A 6 LEU HDy% A 3 GLU HGx 1.0 . 3.83 1168 1049 A 3 GLU HGx A 24 SER HBx 1.0 . 3.99 1169 1049 A 3 GLU HGy A 24 SER HBx 1.0 . 3.99 1170 1049 A 24 SER HBy A 3 GLU HGy 1.0 . 3.99 1171 1049 A 3 GLU HGx A 24 SER HBy 1.0 . 3.99 1172 1050 A 5 LYS H A 5 LYS HBy 1.0 . 3.54 1173 1050 A 5 LYS H A 5 LYS HBx 1.0 . 3.54 1174 1051 A 5 LYS H A 5 LYS HGx 1.0 . 4.11 1175 1051 A 5 LYS H A 5 LYS HGy 1.0 . 4.11 1176 1052 A 5 LYS HA A 5 LYS HGx 1.0 . 3.58 1177 1052 A 5 LYS HA A 5 LYS HGy 1.0 . 3.58 1178 1053 A 5 LYS HBx A 5 LYS HDx 1.0 . 3.19 1179 1053 A 5 LYS HBy A 5 LYS HDx 1.0 . 3.19 1180 1053 A 5 LYS HDy A 5 LYS HBy 1.0 . 3.19 1181 1053 A 5 LYS HBx A 5 LYS HDy 1.0 . 3.19 1182 1054 A 5 LYS HBy A 5 LYS HEx 1.0 . 4.68 1183 1054 A 5 LYS HBx A 5 LYS HEx 1.0 . 4.68 1184 1054 A 5 LYS HEy A 5 LYS HBy 1.0 . 4.68 1185 1054 A 5 LYS HEy A 5 LYS HBx 1.0 . 4.68 1186 1055 A 45 PHE HE% A 5 LYS HBy 1.0 . 4.30 1187 1055 A 45 PHE HE% A 5 LYS HBx 1.0 . 4.30 1188 1056 A 45 PHE HZ A 5 LYS HBy 1.0 . 4.54 1189 1056 A 45 PHE HZ A 5 LYS HBx 1.0 . 4.54 1190 1057 A 5 LYS HEy A 5 LYS HGx 1.0 . 3.45 1191 1057 A 5 LYS HEx A 5 LYS HGx 1.0 . 3.45 1192 1057 A 5 LYS HGy A 5 LYS HEx 1.0 . 3.45 1193 1057 A 5 LYS HEy A 5 LYS HGy 1.0 . 3.45 1194 1058 A 45 PHE HE% A 5 LYS HDx 1.0 . 5.34 1195 1058 A 45 PHE HE% A 5 LYS HDy 1.0 . 5.34 1196 1059 A 45 PHE HZ A 5 LYS HDx 1.0 . 5.34 1197 1059 A 45 PHE HZ A 5 LYS HDy 1.0 . 5.34 1198 1060 A 6 LEU H A 6 LEU HBy 1.0 . 3.47 1199 1060 A 6 LEU H A 6 LEU HBx 1.0 . 3.47 1200 1061 A 6 LEU HDy% A 6 LEU HBy 1.0 . 2.84 1201 1061 A 6 LEU HDy% A 6 LEU HBx 1.0 . 2.84 1202 1062 A 7 ILE H A 6 LEU HBy 1.0 . 3.85 1203 1062 A 7 ILE H A 6 LEU HBx 1.0 . 3.85 1204 1063 A 45 PHE HBx A 6 LEU HBy 1.0 . 4.61 1205 1063 A 45 PHE HBx A 6 LEU HBx 1.0 . 4.61 1206 1064 A 45 PHE HD% A 6 LEU HBy 1.0 . 3.57 1207 1064 A 45 PHE HD% A 6 LEU HBx 1.0 . 3.57 1208 1065 A 7 ILE H A 7 ILE HG1y 1.0 . 3.65 1209 1065 A 7 ILE H A 7 ILE HG1x 1.0 . 3.65 1210 1066 A 7 ILE HA A 7 ILE HG1y 1.0 . 3.14 1211 1066 A 7 ILE HA A 7 ILE HG1x 1.0 . 3.14 1212 1067 A 7 ILE HA A 22 LEU HDy% 1.0 . 4.04 1213 1067 A 7 ILE HA A 22 LEU HDx% 1.0 . 4.04 1214 1068 A 7 ILE HG2% A 23 ASP HBy 1.0 . 5.34 1215 1068 A 7 ILE HG2% A 23 ASP HBx 1.0 . 5.34 1216 1069 A 22 LEU HG A 7 ILE HG1y 1.0 . 5.34 1217 1069 A 22 LEU HG A 7 ILE HG1x 1.0 . 5.34 1218 1070 A 7 ILE HD1% A 23 ASP HBy 1.0 . 3.99 1219 1070 A 7 ILE HD1% A 23 ASP HBx 1.0 . 3.99 1220 1071 A 7 ILE HD1% A 24 SER HBx 1.0 . 4.13 1221 1071 A 7 ILE HD1% A 24 SER HBy 1.0 . 4.13 1222 1072 A 8 ASN H A 8 ASN HD2y 1.0 . 4.83 1223 1072 A 8 ASN H A 8 ASN HD2x 1.0 . 4.83 1224 1073 A 9 HIS HA A 8 ASN HD2y 1.0 . 4.70 1225 1073 A 9 HIS HA A 8 ASN HD2x 1.0 . 4.70 1226 1074 A 8 ASN HD2x A 9 HIS HBx 1.0 . 4.90 1227 1074 A 9 HIS HBy A 8 ASN HD2y 1.0 . 4.90 1228 1074 A 9 HIS HBy A 8 ASN HD2x 1.0 . 4.90 1229 1074 A 8 ASN HD2y A 9 HIS HBx 1.0 . 4.90 1230 1075 A 10 ILE HA A 13 GLN HGx 1.0 . 4.87 1231 1075 A 10 ILE HA A 13 GLN HGy 1.0 . 4.87 1232 1076 A 10 ILE HB A 13 GLN HGx 1.0 . 3.78 1233 1076 A 10 ILE HB A 13 GLN HGy 1.0 . 3.78 1234 1077 A 10 ILE HG2% A 13 GLN HGx 1.0 . 3.63 1235 1077 A 10 ILE HG2% A 13 GLN HGy 1.0 . 3.63 1236 1078 A 11 ALA H A 22 LEU HDy% 1.0 . 4.21 1237 1078 A 11 ALA H A 22 LEU HDx% 1.0 . 4.21 1238 1079 A 12 THR H A 13 GLN HGx 1.0 . 4.94 1239 1079 A 12 THR H A 13 GLN HGy 1.0 . 4.94 1240 1080 A 12 THR HB A 13 GLN HGx 1.0 . 4.50 1241 1080 A 12 THR HB A 13 GLN HGy 1.0 . 4.50 1242 1081 A 13 GLN H A 13 GLN HGx 1.0 . 3.31 1243 1081 A 13 GLN H A 13 GLN HGy 1.0 . 3.31 1244 1082 A 13 GLN HBx A 13 GLN HE2y 1.0 . 4.35 1245 1082 A 13 GLN HBx A 13 GLN HE2x 1.0 . 4.35 1246 1083 A 14 PHE H A 13 GLN HGx 1.0 . 4.33 1247 1083 A 14 PHE H A 13 GLN HGy 1.0 . 4.33 1248 1084 A 15 LEU H A 13 GLN HGx 1.0 . 5.34 1249 1084 A 15 LEU H A 13 GLN HGy 1.0 . 5.34 1250 1085 A 14 PHE HA A 22 LEU HDy% 1.0 . 5.44 1251 1085 A 14 PHE HA A 22 LEU HDx% 1.0 . 5.44 1252 1086 A 14 PHE HD% A 22 LEU HDy% 1.0 . 3.11 1253 1086 A 14 PHE HD% A 22 LEU HDx% 1.0 . 3.11 1254 1087 A 15 LEU HA A 16 ASP HBy 1.0 . 4.47 1255 1087 A 15 LEU HA A 16 ASP HBx 1.0 . 4.47 1256 1088 A 16 ASP H A 16 ASP HBy 1.0 . 3.42 1257 1088 A 16 ASP H A 16 ASP HBx 1.0 . 3.42 1258 1089 A 18 GLU H A 16 ASP HBy 1.0 . 4.71 1259 1089 A 18 GLU H A 16 ASP HBx 1.0 . 4.71 1260 1090 A 18 GLU HBx A 16 ASP HBy 1.0 . 4.28 1261 1090 A 18 GLU HBx A 16 ASP HBx 1.0 . 4.28 1262 1091 A 18 GLU HGx A 16 ASP HBy 1.0 . 4.61 1263 1091 A 18 GLU HGx A 16 ASP HBx 1.0 . 4.61 1264 1092 A 22 LEU H A 22 LEU HDy% 1.0 . 4.58 1265 1092 A 22 LEU H A 22 LEU HDx% 1.0 . 4.58 1266 1093 A 22 LEU HA A 22 LEU HDy% 1.0 . 3.11 1267 1093 A 22 LEU HA A 22 LEU HDx% 1.0 . 3.11 1268 1094 A 22 LEU HBy A 22 LEU HDy% 1.0 . 3.09 1269 1094 A 22 LEU HBy A 22 LEU HDx% 1.0 . 3.09 1270 1095 A 23 ASP H A 22 LEU HDy% 1.0 . 3.48 1271 1095 A 23 ASP H A 22 LEU HDx% 1.0 . 3.48 1272 1096 A 22 LEU HDy% A 23 ASP HBy 1.0 . 5.28 1273 1096 A 22 LEU HDx% A 23 ASP HBy 1.0 . 5.28 1274 1096 A 23 ASP HBx A 22 LEU HDy% 1.0 . 5.28 1275 1096 A 22 LEU HDx% A 23 ASP HBx 1.0 . 5.28 1276 1097 A 26 THR HB A 22 LEU HDy% 1.0 . 4.64 1277 1097 A 26 THR HB A 22 LEU HDx% 1.0 . 4.64 1278 1098 A 28 LEU HBx A 22 LEU HDy% 1.0 . 4.81 1279 1098 A 28 LEU HBx A 22 LEU HDx% 1.0 . 4.81 1280 1099 A 34 VAL HB A 22 LEU HDy% 1.0 . 4.18 1281 1099 A 34 VAL HB A 22 LEU HDx% 1.0 . 4.18 1282 1100 A 34 VAL HGx% A 22 LEU HDy% 1.0 . 3.65 1283 1100 A 34 VAL HGx% A 22 LEU HDx% 1.0 . 3.65 1284 1101 A 25 GLN H A 23 ASP HBy 1.0 . 4.68 1285 1101 A 25 GLN H A 23 ASP HBx 1.0 . 4.68 1286 1102 A 24 SER HA A 67 VAL HGy% 1.0 . 3.52 1287 1102 A 24 SER HA A 67 VAL HGx% 1.0 . 3.52 1288 1103 A 25 GLN H A 24 SER HBx 1.0 . 3.84 1289 1103 A 25 GLN H A 24 SER HBy 1.0 . 3.84 1290 1104 A 24 SER HBx A 25 GLN HGy 1.0 . 4.95 1291 1104 A 24 SER HBy A 25 GLN HGy 1.0 . 4.95 1292 1104 A 25 GLN HGx A 24 SER HBx 1.0 . 4.95 1293 1104 A 24 SER HBy A 25 GLN HGx 1.0 . 4.95 1294 1105 A 67 VAL HB A 24 SER HBx 1.0 . 3.50 1295 1105 A 67 VAL HB A 24 SER HBy 1.0 . 3.50 1296 1106 A 24 SER HBy A 67 VAL HGy% 1.0 . 3.59 1297 1106 A 24 SER HBx A 67 VAL HGy% 1.0 . 3.59 1298 1106 A 67 VAL HGx% A 24 SER HBx 1.0 . 3.59 1299 1106 A 24 SER HBy A 67 VAL HGx% 1.0 . 3.59 1300 1107 A 25 GLN H A 25 GLN HBx 1.0 . 3.25 1301 1107 A 25 GLN H A 25 GLN HBy 1.0 . 3.25 1302 1108 A 25 GLN H A 67 VAL HGy% 1.0 . 4.43 1303 1108 A 25 GLN H A 67 VAL HGx% 1.0 . 4.43 1304 1109 A 25 GLN HBx A 25 GLN HGy 1.0 . 2.26 1305 1109 A 25 GLN HBy A 25 GLN HGy 1.0 . 2.26 1306 1109 A 25 GLN HGx A 25 GLN HBx 1.0 . 2.26 1307 1109 A 25 GLN HGx A 25 GLN HBy 1.0 . 2.26 1308 1110 A 26 THR HA A 25 GLN HBx 1.0 . 4.85 1309 1110 A 26 THR HA A 25 GLN HBy 1.0 . 4.85 1310 1111 A 25 GLN HE2x A 25 GLN HGy 1.0 . 3.21 1311 1111 A 25 GLN HE2y A 25 GLN HGy 1.0 . 3.21 1312 1111 A 25 GLN HGx A 25 GLN HE2y 1.0 . 3.21 1313 1111 A 25 GLN HGx A 25 GLN HE2x 1.0 . 3.21 1314 1112 A 26 THR HA A 28 LEU HDy% 1.0 . 5.27 1315 1112 A 26 THR HA A 28 LEU HDx% 1.0 . 5.27 1316 1113 A 26 THR HB A 28 LEU HDy% 1.0 . 3.83 1317 1113 A 26 THR HB A 28 LEU HDx% 1.0 . 3.83 1318 1114 A 28 LEU HA A 28 LEU HDy% 1.0 . 2.95 1319 1114 A 28 LEU HA A 28 LEU HDx% 1.0 . 2.95 1320 1115 A 29 PHE H A 28 LEU HDy% 1.0 . 4.31 1321 1115 A 29 PHE H A 28 LEU HDx% 1.0 . 4.31 1322 1116 A 31 LEU H A 28 LEU HDy% 1.0 . 5.44 1323 1116 A 31 LEU H A 28 LEU HDx% 1.0 . 5.44 1324 1117 A 33 ILE H A 28 LEU HDy% 1.0 . 4.76 1325 1117 A 33 ILE H A 28 LEU HDx% 1.0 . 4.76 1326 1118 A 34 VAL HGx% A 28 LEU HDy% 1.0 . 2.88 1327 1118 A 34 VAL HGx% A 28 LEU HDx% 1.0 . 2.88 1328 1119 A 64 PHE HBy A 28 LEU HDy% 1.0 . 5.44 1329 1119 A 64 PHE HBy A 28 LEU HDx% 1.0 . 5.44 1330 1120 A 65 ALA HA A 28 LEU HDy% 1.0 . 5.44 1331 1120 A 65 ALA HA A 28 LEU HDx% 1.0 . 5.44 1332 1121 A 66 THR H A 28 LEU HDy% 1.0 . 4.57 1333 1121 A 66 THR H A 28 LEU HDx% 1.0 . 4.57 1334 1122 A 66 THR HA A 28 LEU HDy% 1.0 . 3.95 1335 1122 A 66 THR HA A 28 LEU HDx% 1.0 . 3.95 1336 1123 A 70 MET HE% A 28 LEU HDy% 1.0 . 3.21 1337 1123 A 70 MET HE% A 28 LEU HDx% 1.0 . 3.21 1338 1124 A 29 PHE H A 29 PHE HBy 1.0 . 3.08 1339 1124 A 29 PHE H A 29 PHE HBx 1.0 . 3.08 1340 1125 A 29 PHE H A 30 GLU HBx 1.0 . 5.04 1341 1125 A 29 PHE H A 30 GLU HBy 1.0 . 5.04 1342 1126 A 29 PHE HA A 32 ASN HBx 1.0 . 5.22 1343 1126 A 29 PHE HA A 32 ASN HBy 1.0 . 5.22 1344 1127 A 30 GLU H A 29 PHE HBy 1.0 . 3.43 1345 1127 A 30 GLU H A 29 PHE HBx 1.0 . 3.43 1346 1128 A 31 LEU H A 29 PHE HBy 1.0 . 4.99 1347 1128 A 31 LEU H A 29 PHE HBx 1.0 . 4.99 1348 1129 A 65 ALA HA A 29 PHE HBy 1.0 . 4.81 1349 1129 A 65 ALA HA A 29 PHE HBx 1.0 . 4.81 1350 1130 A 65 ALA HB% A 29 PHE HBy 1.0 . 4.54 1351 1130 A 65 ALA HB% A 29 PHE HBx 1.0 . 4.54 1352 1131 A 30 GLU H A 30 GLU HBx 1.0 . 2.93 1353 1131 A 30 GLU H A 30 GLU HBy 1.0 . 2.93 1354 1132 A 30 GLU H A 30 GLU HGy 1.0 . 4.61 1355 1132 A 30 GLU H A 30 GLU HGx 1.0 . 4.61 1356 1133 A 30 GLU HA A 30 GLU HGy 1.0 . 3.22 1357 1133 A 30 GLU HA A 30 GLU HGx 1.0 . 3.22 1358 1134 A 31 LEU H A 30 GLU HBx 1.0 . 3.88 1359 1134 A 31 LEU H A 30 GLU HBy 1.0 . 3.88 1360 1135 A 31 LEU HG A 30 GLU HBx 1.0 . 4.42 1361 1135 A 31 LEU HG A 30 GLU HBy 1.0 . 4.42 1362 1136 A 31 LEU HDx% A 30 GLU HBx 1.0 . 4.50 1363 1136 A 31 LEU HDx% A 30 GLU HBy 1.0 . 4.50 1364 1137 A 31 LEU H A 30 GLU HGy 1.0 . 4.46 1365 1137 A 31 LEU H A 30 GLU HGx 1.0 . 4.46 1366 1138 A 31 LEU HDy% A 30 GLU HGy 1.0 . 4.64 1367 1138 A 31 LEU HDy% A 30 GLU HGx 1.0 . 4.64 1368 1139 A 31 LEU HBx A 32 ASN HBx 1.0 . 5.28 1369 1139 A 31 LEU HBx A 32 ASN HBy 1.0 . 5.28 1370 1140 A 31 LEU HBx A 33 ILE HG1y 1.0 . 3.46 1371 1140 A 31 LEU HBx A 33 ILE HG1x 1.0 . 3.46 1372 1141 A 32 ASN H A 32 ASN HBx 1.0 . 3.53 1373 1141 A 32 ASN H A 32 ASN HBy 1.0 . 3.53 1374 1142 A 32 ASN HA A 33 ILE HG1y 1.0 . 4.75 1375 1142 A 32 ASN HA A 33 ILE HG1x 1.0 . 4.75 1376 1143 A 32 ASN HBy A 32 ASN HD2y 1.0 . 3.17 1377 1143 A 32 ASN HBx A 32 ASN HD2y 1.0 . 3.17 1378 1143 A 32 ASN HD2x A 32 ASN HBx 1.0 . 3.17 1379 1143 A 32 ASN HBy A 32 ASN HD2x 1.0 . 3.17 1380 1144 A 33 ILE HA A 32 ASN HBx 1.0 . 5.15 1381 1144 A 33 ILE HA A 32 ASN HBy 1.0 . 5.15 1382 1145 A 33 ILE H A 33 ILE HG1y 1.0 . 3.29 1383 1145 A 33 ILE H A 33 ILE HG1x 1.0 . 3.29 1384 1146 A 33 ILE HA A 33 ILE HG1y 1.0 . 3.27 1385 1146 A 33 ILE HA A 33 ILE HG1x 1.0 . 3.27 1386 1147 A 34 VAL H A 33 ILE HG1y 1.0 . 4.39 1387 1147 A 34 VAL H A 33 ILE HG1x 1.0 . 4.39 1388 1148 A 34 VAL HGx% A 33 ILE HG1y 1.0 . 5.34 1389 1148 A 34 VAL HGx% A 33 ILE HG1x 1.0 . 5.34 1390 1149 A 34 VAL HGx% A 42 LEU HDy% 1.0 . 3.82 1391 1149 A 34 VAL HGx% A 42 LEU HDx% 1.0 . 3.82 1392 1150 A 36 SER H A 35 ASP HBx 1.0 . 3.05 1393 1150 A 36 SER H A 35 ASP HBy 1.0 . 3.05 1394 1151 A 35 ASP HBy A 36 SER HBx 1.0 . 5.06 1395 1151 A 35 ASP HBx A 36 SER HBx 1.0 . 5.06 1396 1151 A 36 SER HBy A 35 ASP HBx 1.0 . 5.06 1397 1151 A 36 SER HBy A 35 ASP HBy 1.0 . 5.06 1398 1152 A 37 ALA H A 35 ASP HBx 1.0 . 3.81 1399 1152 A 37 ALA H A 35 ASP HBy 1.0 . 3.81 1400 1153 A 37 ALA HB% A 35 ASP HBx 1.0 . 4.68 1401 1153 A 37 ALA HB% A 35 ASP HBy 1.0 . 4.68 1402 1154 A 38 ALA H A 35 ASP HBx 1.0 . 4.19 1403 1154 A 38 ALA H A 35 ASP HBy 1.0 . 4.19 1404 1155 A 38 ALA HB% A 35 ASP HBx 1.0 . 4.30 1405 1155 A 38 ALA HB% A 35 ASP HBy 1.0 . 4.30 1406 1156 A 36 SER HA A 39 ILE HG1y 1.0 . 4.22 1407 1156 A 36 SER HA A 39 ILE HG1x 1.0 . 4.22 1408 1157 A 37 ALA HA A 40 PHE HBy 1.0 . 4.80 1409 1157 A 37 ALA HA A 40 PHE HBx 1.0 . 4.80 1410 1158 A 37 ALA HB% A 40 PHE HBy 1.0 . 5.08 1411 1158 A 37 ALA HB% A 40 PHE HBx 1.0 . 5.08 1412 1159 A 38 ALA HA A 41 ASP HBx 1.0 . 3.87 1413 1159 A 38 ALA HA A 41 ASP HBy 1.0 . 3.87 1414 1160 A 38 ALA HB% A 41 ASP HBx 1.0 . 4.38 1415 1160 A 38 ALA HB% A 41 ASP HBy 1.0 . 4.38 1416 1161 A 39 ILE H A 40 PHE HBy 1.0 . 4.99 1417 1161 A 39 ILE H A 40 PHE HBx 1.0 . 4.99 1418 1162 A 39 ILE HA A 42 LEU HBy 1.0 . 3.69 1419 1162 A 39 ILE HA A 42 LEU HBx 1.0 . 3.69 1420 1163 A 39 ILE HA A 42 LEU HDy% 1.0 . 3.78 1421 1163 A 39 ILE HA A 42 LEU HDx% 1.0 . 3.78 1422 1164 A 39 ILE HB A 40 PHE HBy 1.0 . 5.34 1423 1164 A 39 ILE HB A 40 PHE HBx 1.0 . 5.34 1424 1165 A 39 ILE HG2% A 42 LEU HBy 1.0 . 4.39 1425 1165 A 39 ILE HG2% A 42 LEU HBx 1.0 . 4.39 1426 1166 A 39 ILE HG2% A 42 LEU HDy% 1.0 . 4.61 1427 1166 A 39 ILE HG2% A 42 LEU HDx% 1.0 . 4.61 1428 1167 A 39 ILE HG2% A 43 VAL HGy% 1.0 . 3.06 1429 1167 A 39 ILE HG2% A 43 VAL HGx% 1.0 . 3.06 1430 1168 A 39 ILE HG2% A 59 ILE HG1x 1.0 . 4.47 1431 1168 A 39 ILE HG2% A 59 ILE HG1y 1.0 . 4.47 1432 1169 A 40 PHE H A 39 ILE HG1y 1.0 . 4.69 1433 1169 A 40 PHE H A 39 ILE HG1x 1.0 . 4.69 1434 1170 A 39 ILE HG1y A 42 LEU HDy% 1.0 . 4.76 1435 1170 A 39 ILE HG1x A 42 LEU HDy% 1.0 . 4.76 1436 1170 A 42 LEU HDx% A 39 ILE HG1y 1.0 . 4.76 1437 1170 A 42 LEU HDx% A 39 ILE HG1x 1.0 . 4.76 1438 1171 A 61 PRO HA A 39 ILE HG1y 1.0 . 5.34 1439 1171 A 61 PRO HA A 39 ILE HG1x 1.0 . 5.34 1440 1172 A 39 ILE HD1% A 42 LEU HBy 1.0 . 4.14 1441 1172 A 39 ILE HD1% A 42 LEU HBx 1.0 . 4.14 1442 1173 A 39 ILE HD1% A 42 LEU HDy% 1.0 . 3.54 1443 1173 A 39 ILE HD1% A 42 LEU HDx% 1.0 . 3.54 1444 1174 A 39 ILE HD1% A 61 PRO HBx 1.0 . 3.99 1445 1174 A 39 ILE HD1% A 61 PRO HBy 1.0 . 3.99 1446 1175 A 40 PHE H A 40 PHE HBy 1.0 . 3.04 1447 1175 A 40 PHE H A 40 PHE HBx 1.0 . 3.04 1448 1176 A 40 PHE H A 41 ASP HBx 1.0 . 5.04 1449 1176 A 40 PHE H A 41 ASP HBy 1.0 . 5.04 1450 1177 A 40 PHE H A 43 VAL HGy% 1.0 . 5.44 1451 1177 A 40 PHE H A 43 VAL HGx% 1.0 . 5.44 1452 1178 A 40 PHE HA A 43 VAL HGy% 1.0 . 3.35 1453 1178 A 40 PHE HA A 43 VAL HGx% 1.0 . 3.35 1454 1179 A 56 MET HE% A 40 PHE HBy 1.0 . 4.72 1455 1179 A 56 MET HE% A 40 PHE HBx 1.0 . 4.72 1456 1180 A 41 ASP H A 41 ASP HBx 1.0 . 2.82 1457 1180 A 41 ASP H A 41 ASP HBy 1.0 . 2.82 1458 1181 A 41 ASP HBy A 42 LEU HDy% 1.0 . 4.44 1459 1181 A 41 ASP HBx A 42 LEU HDy% 1.0 . 4.44 1460 1181 A 42 LEU HDx% A 41 ASP HBx 1.0 . 4.44 1461 1181 A 42 LEU HDx% A 41 ASP HBy 1.0 . 4.44 1462 1182 A 42 LEU H A 42 LEU HBy 1.0 . 3.53 1463 1182 A 42 LEU H A 42 LEU HBx 1.0 . 3.53 1464 1183 A 42 LEU H A 42 LEU HDy% 1.0 . 3.63 1465 1183 A 42 LEU H A 42 LEU HDx% 1.0 . 3.63 1466 1184 A 42 LEU H A 43 VAL HGy% 1.0 . 4.58 1467 1184 A 42 LEU H A 43 VAL HGx% 1.0 . 4.58 1468 1185 A 42 LEU HA A 42 LEU HDy% 1.0 . 3.46 1469 1185 A 42 LEU HA A 42 LEU HDx% 1.0 . 3.46 1470 1186 A 42 LEU HBy A 42 LEU HDy% 1.0 . 2.77 1471 1186 A 42 LEU HBx A 42 LEU HDy% 1.0 . 2.77 1472 1186 A 42 LEU HDx% A 42 LEU HBy 1.0 . 2.77 1473 1186 A 42 LEU HDx% A 42 LEU HBx 1.0 . 2.77 1474 1187 A 43 VAL H A 42 LEU HBy 1.0 . 3.30 1475 1187 A 43 VAL H A 42 LEU HBx 1.0 . 3.30 1476 1188 A 43 VAL HA A 42 LEU HBy 1.0 . 4.66 1477 1188 A 43 VAL HA A 42 LEU HBx 1.0 . 4.66 1478 1189 A 42 LEU HBx A 43 VAL HGy% 1.0 . 3.71 1479 1189 A 42 LEU HBy A 43 VAL HGy% 1.0 . 3.71 1480 1189 A 43 VAL HGx% A 42 LEU HBy 1.0 . 3.71 1481 1189 A 42 LEU HBx A 43 VAL HGx% 1.0 . 3.71 1482 1190 A 64 PHE HD% A 42 LEU HBy 1.0 . 4.05 1483 1190 A 64 PHE HD% A 42 LEU HBx 1.0 . 4.05 1484 1191 A 64 PHE HE% A 42 LEU HBy 1.0 . 4.44 1485 1191 A 64 PHE HE% A 42 LEU HBx 1.0 . 4.44 1486 1192 A 64 PHE HBx A 42 LEU HDy% 1.0 . 5.14 1487 1192 A 64 PHE HBx A 42 LEU HDx% 1.0 . 5.14 1488 1193 A 43 VAL H A 43 VAL HGy% 1.0 . 3.06 1489 1193 A 43 VAL H A 43 VAL HGx% 1.0 . 3.06 1490 1194 A 43 VAL HA A 46 LEU HDy% 1.0 . 3.93 1491 1194 A 43 VAL HA A 46 LEU HDx% 1.0 . 3.93 1492 1195 A 43 VAL HA A 47 ARG HDx 1.0 . 5.34 1493 1195 A 43 VAL HA A 47 ARG HDy 1.0 . 5.34 1494 1196 A 44 ASP H A 43 VAL HGy% 1.0 . 3.46 1495 1196 A 44 ASP H A 43 VAL HGx% 1.0 . 3.46 1496 1197 A 44 ASP HA A 43 VAL HGy% 1.0 . 4.04 1497 1197 A 44 ASP HA A 43 VAL HGx% 1.0 . 4.04 1498 1198 A 44 ASP HBx A 43 VAL HGy% 1.0 . 4.65 1499 1198 A 44 ASP HBx A 43 VAL HGx% 1.0 . 4.65 1500 1199 A 45 PHE H A 43 VAL HGy% 1.0 . 4.63 1501 1199 A 45 PHE H A 43 VAL HGx% 1.0 . 4.63 1502 1200 A 46 LEU H A 43 VAL HGy% 1.0 . 5.44 1503 1200 A 46 LEU H A 43 VAL HGx% 1.0 . 5.44 1504 1201 A 47 ARG H A 43 VAL HGy% 1.0 . 5.44 1505 1201 A 47 ARG H A 43 VAL HGx% 1.0 . 5.44 1506 1202 A 59 ILE HG2% A 43 VAL HGy% 1.0 . 3.21 1507 1202 A 59 ILE HG2% A 43 VAL HGx% 1.0 . 3.21 1508 1203 A 64 PHE HZ A 43 VAL HGy% 1.0 . 3.05 1509 1203 A 64 PHE HZ A 43 VAL HGx% 1.0 . 3.05 1510 1204 A 44 ASP H A 47 ARG HDx 1.0 . 4.54 1511 1204 A 44 ASP H A 47 ARG HDy 1.0 . 4.54 1512 1205 A 44 ASP HA A 47 ARG HBy 1.0 . 4.56 1513 1205 A 44 ASP HA A 47 ARG HBx 1.0 . 4.56 1514 1206 A 44 ASP HA A 47 ARG HGx 1.0 . 4.35 1515 1206 A 44 ASP HA A 47 ARG HGy 1.0 . 4.35 1516 1207 A 48 GLN HE2x A 45 PHE H 1.0 . 5.23 1517 1207 A 48 GLN HE2y A 45 PHE H 1.0 . 5.23 1518 1208 A 48 GLN HE2y A 45 PHE HA 1.0 . 3.87 1519 1208 A 48 GLN HE2x A 45 PHE HA 1.0 . 3.87 1520 1209 A 45 PHE HBx A 46 LEU HDy% 1.0 . 5.44 1521 1209 A 45 PHE HBx A 46 LEU HDx% 1.0 . 5.44 1522 1210 A 48 GLN HE2x A 45 PHE HBx 1.0 . 4.84 1523 1210 A 48 GLN HE2y A 45 PHE HBx 1.0 . 4.84 1524 1211 A 45 PHE HBy A 46 LEU HDy% 1.0 . 4.01 1525 1211 A 45 PHE HBy A 46 LEU HDx% 1.0 . 4.01 1526 1212 A 45 PHE HD% A 49 GLU HGx 1.0 . 4.19 1527 1212 A 45 PHE HD% A 49 GLU HGy 1.0 . 4.19 1528 1213 A 45 PHE HE% A 49 GLU HGx 1.0 . 4.51 1529 1213 A 45 PHE HE% A 49 GLU HGy 1.0 . 4.51 1530 1214 A 46 LEU H A 46 LEU HDy% 1.0 . 3.30 1531 1214 A 46 LEU H A 46 LEU HDx% 1.0 . 3.30 1532 1215 A 46 LEU HA A 46 LEU HDy% 1.0 . 2.90 1533 1215 A 46 LEU HA A 46 LEU HDx% 1.0 . 2.90 1534 1216 A 46 LEU HBy A 50 SER HBx 1.0 . 5.34 1535 1216 A 46 LEU HBy A 50 SER HBy 1.0 . 5.34 1536 1217 A 46 LEU HBx A 50 SER HBx 1.0 . 4.51 1537 1217 A 46 LEU HBx A 50 SER HBy 1.0 . 4.51 1538 1218 A 47 ARG H A 46 LEU HDy% 1.0 . 4.88 1539 1218 A 47 ARG H A 46 LEU HDx% 1.0 . 4.88 1540 1219 A 49 GLU HBy A 46 LEU HDy% 1.0 . 4.90 1541 1219 A 49 GLU HBy A 46 LEU HDx% 1.0 . 4.90 1542 1220 A 50 SER H A 46 LEU HDy% 1.0 . 5.31 1543 1220 A 50 SER H A 46 LEU HDx% 1.0 . 5.31 1544 1221 A 64 PHE HBx A 46 LEU HDy% 1.0 . 5.15 1545 1221 A 64 PHE HBx A 46 LEU HDx% 1.0 . 5.15 1546 1222 A 64 PHE HD% A 46 LEU HDy% 1.0 . 3.58 1547 1222 A 64 PHE HD% A 46 LEU HDx% 1.0 . 3.58 1548 1223 A 64 PHE HZ A 46 LEU HDy% 1.0 . 4.43 1549 1223 A 64 PHE HZ A 46 LEU HDx% 1.0 . 4.43 1550 1224 A 70 MET HA A 46 LEU HDy% 1.0 . 3.95 1551 1224 A 70 MET HA A 46 LEU HDx% 1.0 . 3.95 1552 1225 A 70 MET HBx A 46 LEU HDy% 1.0 . 4.40 1553 1225 A 70 MET HBx A 46 LEU HDx% 1.0 . 4.40 1554 1226 A 46 LEU HDy% A 70 MET HGy 1.0 . 3.53 1555 1226 A 46 LEU HDx% A 70 MET HGy 1.0 . 3.53 1556 1226 A 70 MET HGx A 46 LEU HDy% 1.0 . 3.53 1557 1226 A 46 LEU HDx% A 70 MET HGx 1.0 . 3.53 1558 1227 A 47 ARG H A 47 ARG HBy 1.0 . 3.31 1559 1227 A 47 ARG H A 47 ARG HBx 1.0 . 3.31 1560 1228 A 47 ARG H A 47 ARG HGx 1.0 . 3.66 1561 1228 A 47 ARG H A 47 ARG HGy 1.0 . 3.66 1562 1229 A 47 ARG H A 52 VAL HGy% 1.0 . 5.44 1563 1229 A 47 ARG H A 52 VAL HGx% 1.0 . 5.44 1564 1230 A 47 ARG HA A 47 ARG HGx 1.0 . 3.67 1565 1230 A 47 ARG HA A 47 ARG HGy 1.0 . 3.67 1566 1231 A 47 ARG HA A 47 ARG HDx 1.0 . 4.71 1567 1231 A 47 ARG HA A 47 ARG HDy 1.0 . 4.71 1568 1232 A 47 ARG HA A 52 VAL HGy% 1.0 . 3.53 1569 1232 A 47 ARG HA A 52 VAL HGx% 1.0 . 3.53 1570 1233 A 47 ARG HBy A 47 ARG HDx 1.0 . 3.22 1571 1233 A 47 ARG HBx A 47 ARG HDx 1.0 . 3.22 1572 1233 A 47 ARG HDy A 47 ARG HBy 1.0 . 3.22 1573 1233 A 47 ARG HDy A 47 ARG HBx 1.0 . 3.22 1574 1234 A 48 GLN H A 47 ARG HBy 1.0 . 4.18 1575 1234 A 48 GLN H A 47 ARG HBx 1.0 . 4.18 1576 1235 A 53 SER HA A 47 ARG HBy 1.0 . 3.39 1577 1235 A 53 SER HA A 47 ARG HBx 1.0 . 3.39 1578 1236 A 47 ARG HBx A 53 SER HBx 1.0 . 4.76 1579 1236 A 47 ARG HBy A 53 SER HBx 1.0 . 4.76 1580 1236 A 53 SER HBy A 47 ARG HBy 1.0 . 4.76 1581 1236 A 47 ARG HBx A 53 SER HBy 1.0 . 4.76 1582 1237 A 54 ILE HG2% A 47 ARG HBy 1.0 . 4.26 1583 1237 A 54 ILE HG2% A 47 ARG HBx 1.0 . 4.26 1584 1238 A 48 GLN H A 47 ARG HGx 1.0 . 4.91 1585 1238 A 48 GLN H A 47 ARG HGy 1.0 . 4.91 1586 1239 A 54 ILE HG2% A 47 ARG HGx 1.0 . 4.34 1587 1239 A 54 ILE HG2% A 47 ARG HGy 1.0 . 4.34 1588 1240 A 48 GLN H A 47 ARG HDx 1.0 . 4.88 1589 1240 A 48 GLN H A 47 ARG HDy 1.0 . 4.88 1590 1241 A 54 ILE HG2% A 47 ARG HDx 1.0 . 4.11 1591 1241 A 54 ILE HG2% A 47 ARG HDy 1.0 . 4.11 1592 1242 A 54 ILE HD1% A 47 ARG HDx 1.0 . 5.15 1593 1242 A 54 ILE HD1% A 47 ARG HDy 1.0 . 5.15 1594 1243 A 48 GLN H A 48 GLN HGx 1.0 . 4.03 1595 1243 A 48 GLN H A 48 GLN HGy 1.0 . 4.03 1596 1244 A 48 GLN HBy A 48 GLN HE2x 1.0 . 3.99 1597 1244 A 48 GLN HBy A 48 GLN HE2y 1.0 . 3.99 1598 1245 A 48 GLN HBy A 49 GLU HGx 1.0 . 4.32 1599 1245 A 48 GLN HBy A 49 GLU HGy 1.0 . 4.32 1600 1246 A 48 GLN HE2y A 48 GLN HGx 1.0 . 3.17 1601 1246 A 48 GLN HE2x A 48 GLN HGy 1.0 . 3.17 1602 1246 A 48 GLN HE2y A 48 GLN HGy 1.0 . 3.17 1603 1246 A 48 GLN HE2x A 48 GLN HGx 1.0 . 3.17 1604 1247 A 49 GLU H A 48 GLN HGx 1.0 . 5.12 1605 1247 A 49 GLU H A 48 GLN HGy 1.0 . 5.12 1606 1248 A 49 GLU H A 49 GLU HGx 1.0 . 3.28 1607 1248 A 49 GLU H A 49 GLU HGy 1.0 . 3.28 1608 1249 A 49 GLU HA A 49 GLU HGx 1.0 . 3.05 1609 1249 A 49 GLU HGy A 49 GLU HA 1.0 . 3.05 1610 1250 A 50 SER H A 50 SER HBx 1.0 . 3.58 1611 1250 A 50 SER H A 50 SER HBy 1.0 . 3.58 1612 1251 A 50 SER H A 52 VAL HGy% 1.0 . 4.15 1613 1251 A 50 SER H A 52 VAL HGx% 1.0 . 4.15 1614 1252 A 50 SER H A 74 VAL HGy% 1.0 . 5.44 1615 1252 A 50 SER H A 74 VAL HGx% 1.0 . 5.44 1616 1253 A 50 SER HA A 51 LYS HGy 1.0 . 4.62 1617 1253 A 50 SER HA A 51 LYS HGx 1.0 . 4.62 1618 1254 A 50 SER HA A 51 LYS HDy 1.0 . 5.34 1619 1254 A 50 SER HA A 51 LYS HDx 1.0 . 5.34 1620 1255 A 51 LYS H A 50 SER HBx 1.0 . 4.05 1621 1255 A 51 LYS H A 50 SER HBy 1.0 . 4.05 1622 1256 A 50 SER HBy A 51 LYS HGy 1.0 . 5.18 1623 1256 A 50 SER HBx A 51 LYS HGy 1.0 . 5.18 1624 1256 A 51 LYS HGx A 50 SER HBx 1.0 . 5.18 1625 1256 A 50 SER HBy A 51 LYS HGx 1.0 . 5.18 1626 1257 A 52 VAL H A 50 SER HBx 1.0 . 4.16 1627 1257 A 52 VAL H A 50 SER HBy 1.0 . 4.16 1628 1258 A 52 VAL HB A 50 SER HBx 1.0 . 4.39 1629 1258 A 52 VAL HB A 50 SER HBy 1.0 . 4.39 1630 1259 A 50 SER HBx A 52 VAL HGy% 1.0 . 3.41 1631 1259 A 50 SER HBy A 52 VAL HGy% 1.0 . 3.41 1632 1259 A 52 VAL HGx% A 50 SER HBx 1.0 . 3.41 1633 1259 A 50 SER HBy A 52 VAL HGx% 1.0 . 3.41 1634 1260 A 50 SER HBx A 74 VAL HGy% 1.0 . 3.01 1635 1260 A 50 SER HBy A 74 VAL HGy% 1.0 . 3.01 1636 1260 A 74 VAL HGx% A 50 SER HBx 1.0 . 3.01 1637 1260 A 50 SER HBy A 74 VAL HGx% 1.0 . 3.01 1638 1261 A 50 SER HBy A 78 LYS HDx 1.0 . 4.35 1639 1261 A 78 LYS HDy A 50 SER HBx 1.0 . 4.35 1640 1261 A 78 LYS HDy A 50 SER HBy 1.0 . 4.35 1641 1261 A 50 SER HBx A 78 LYS HDx 1.0 . 4.35 1642 1262 A 51 LYS H A 51 LYS HGy 1.0 . 3.62 1643 1262 A 51 LYS H A 51 LYS HGx 1.0 . 3.62 1644 1263 A 51 LYS H A 51 LYS HDy 1.0 . 3.91 1645 1263 A 51 LYS H A 51 LYS HDx 1.0 . 3.91 1646 1264 A 51 LYS H A 52 VAL HGy% 1.0 . 4.57 1647 1264 A 51 LYS H A 52 VAL HGx% 1.0 . 4.57 1648 1265 A 51 LYS HA A 51 LYS HGy 1.0 . 3.24 1649 1265 A 51 LYS HA A 51 LYS HGx 1.0 . 3.24 1650 1266 A 51 LYS HA A 51 LYS HDy 1.0 . 3.52 1651 1266 A 51 LYS HA A 51 LYS HDx 1.0 . 3.52 1652 1267 A 51 LYS HEx A 51 LYS HGy 1.0 . 3.37 1653 1267 A 51 LYS HEy A 51 LYS HGy 1.0 . 3.37 1654 1267 A 51 LYS HGx A 51 LYS HEx 1.0 . 3.37 1655 1267 A 51 LYS HEy A 51 LYS HGx 1.0 . 3.37 1656 1268 A 52 VAL H A 51 LYS HGy 1.0 . 4.83 1657 1268 A 52 VAL H A 51 LYS HGx 1.0 . 4.83 1658 1269 A 52 VAL H A 51 LYS HDy 1.0 . 5.04 1659 1269 A 52 VAL H A 51 LYS HDx 1.0 . 5.04 1660 1270 A 52 VAL H A 52 VAL HGy% 1.0 . 3.08 1661 1270 A 52 VAL H A 52 VAL HGx% 1.0 . 3.08 1662 1271 A 52 VAL HA A 52 VAL HGy% 1.0 . 3.01 1663 1271 A 52 VAL HA A 52 VAL HGx% 1.0 . 3.01 1664 1272 A 53 SER H A 52 VAL HGy% 1.0 . 3.40 1665 1272 A 53 SER H A 52 VAL HGx% 1.0 . 3.40 1666 1273 A 52 VAL HGx% A 53 SER HBx 1.0 . 4.49 1667 1273 A 52 VAL HGy% A 53 SER HBx 1.0 . 4.49 1668 1273 A 53 SER HBy A 52 VAL HGy% 1.0 . 4.49 1669 1273 A 52 VAL HGx% A 53 SER HBy 1.0 . 4.49 1670 1274 A 54 ILE H A 52 VAL HGy% 1.0 . 5.14 1671 1274 A 54 ILE H A 52 VAL HGx% 1.0 . 5.14 1672 1275 A 52 VAL HGx% A 78 LYS HEx 1.0 . 3.63 1673 1275 A 52 VAL HGy% A 78 LYS HEx 1.0 . 3.63 1674 1275 A 78 LYS HEy A 52 VAL HGy% 1.0 . 3.63 1675 1275 A 78 LYS HEy A 52 VAL HGx% 1.0 . 3.63 1676 1276 A 54 ILE HA A 54 ILE HG1y 1.0 . 3.49 1677 1276 A 54 ILE HA A 54 ILE HG1x 1.0 . 3.49 1678 1277 A 54 ILE HG2% A 55 GLY HAx 1.0 . 5.34 1679 1277 A 54 ILE HG2% A 55 GLY HAy 1.0 . 5.34 1680 1278 A 55 GLY H A 54 ILE HG1y 1.0 . 4.36 1681 1278 A 55 GLY H A 54 ILE HG1x 1.0 . 4.36 1682 1279 A 54 ILE HD1% A 55 GLY HAx 1.0 . 4.84 1683 1279 A 54 ILE HD1% A 55 GLY HAy 1.0 . 4.84 1684 1280 A 54 ILE HD1% A 58 GLU HBx 1.0 . 3.41 1685 1280 A 54 ILE HD1% A 58 GLU HBy 1.0 . 3.41 1686 1281 A 55 GLY H A 58 GLU HBx 1.0 . 4.19 1687 1281 A 55 GLY H A 58 GLU HBy 1.0 . 4.19 1688 1282 A 55 GLY H A 58 GLU HGy 1.0 . 4.66 1689 1282 A 55 GLY H A 58 GLU HGx 1.0 . 4.66 1690 1283 A 56 MET H A 55 GLY HAx 1.0 . 3.06 1691 1283 A 56 MET H A 55 GLY HAy 1.0 . 3.06 1692 1284 A 55 GLY HAy A 56 MET HBx 1.0 . 4.80 1693 1284 A 55 GLY HAx A 56 MET HBx 1.0 . 4.80 1694 1284 A 56 MET HBy A 55 GLY HAx 1.0 . 4.80 1695 1284 A 56 MET HBy A 55 GLY HAy 1.0 . 4.80 1696 1285 A 55 GLY HAx A 56 MET HGy 1.0 . 4.73 1697 1285 A 55 GLY HAy A 56 MET HGy 1.0 . 4.73 1698 1285 A 56 MET HGx A 55 GLY HAx 1.0 . 4.73 1699 1285 A 56 MET HGx A 55 GLY HAy 1.0 . 4.73 1700 1286 A 55 GLY HAy A 58 GLU HGy 1.0 . 5.07 1701 1286 A 55 GLY HAx A 58 GLU HGy 1.0 . 5.07 1702 1286 A 58 GLU HGx A 55 GLY HAx 1.0 . 5.07 1703 1286 A 55 GLY HAy A 58 GLU HGx 1.0 . 5.07 1704 1287 A 56 MET H A 56 MET HGy 1.0 . 3.70 1705 1287 A 56 MET H A 56 MET HGx 1.0 . 3.70 1706 1288 A 56 MET HE% A 56 MET HGy 1.0 . 3.29 1707 1288 A 56 MET HE% A 56 MET HGx 1.0 . 3.29 1708 1289 A 59 ILE HD1% A 56 MET HGy 1.0 . 4.61 1709 1289 A 59 ILE HD1% A 56 MET HGx 1.0 . 4.61 1710 1290 A 57 GLN HA A 57 GLN HGx 1.0 . 3.70 1711 1290 A 57 GLN HA A 57 GLN HGy 1.0 . 3.70 1712 1291 A 58 GLU H A 58 GLU HBx 1.0 . 3.34 1713 1291 A 58 GLU H A 58 GLU HBy 1.0 . 3.34 1714 1292 A 58 GLU H A 58 GLU HGy 1.0 . 3.13 1715 1292 A 58 GLU H A 58 GLU HGx 1.0 . 3.13 1716 1293 A 58 GLU HA A 58 GLU HGy 1.0 . 3.54 1717 1293 A 58 GLU HGx A 58 GLU HA 1.0 . 3.54 1718 1294 A 58 GLU HA A 63 ASN HD2y 1.0 . 4.98 1719 1294 A 58 GLU HA A 63 ASN HD2x 1.0 . 4.98 1720 1295 A 59 ILE H A 58 GLU HBx 1.0 . 4.11 1721 1295 A 59 ILE H A 58 GLU HBy 1.0 . 4.11 1722 1296 A 59 ILE HA A 58 GLU HBx 1.0 . 4.61 1723 1296 A 59 ILE HA A 58 GLU HBy 1.0 . 4.61 1724 1297 A 58 GLU HBx A 63 ASN HD2y 1.0 . 4.63 1725 1297 A 58 GLU HBy A 63 ASN HD2y 1.0 . 4.63 1726 1297 A 63 ASN HD2x A 58 GLU HBx 1.0 . 4.63 1727 1297 A 58 GLU HBy A 63 ASN HD2x 1.0 . 4.63 1728 1298 A 59 ILE H A 59 ILE HG1x 1.0 . 3.64 1729 1298 A 59 ILE H A 59 ILE HG1y 1.0 . 3.64 1730 1299 A 59 ILE HA A 63 ASN HBx 1.0 . 5.27 1731 1299 A 59 ILE HA A 63 ASN HBy 1.0 . 5.27 1732 1300 A 59 ILE HG2% A 59 ILE HG1x 1.0 . 3.24 1733 1300 A 59 ILE HG2% A 59 ILE HG1y 1.0 . 3.24 1734 1301 A 60 HIS H A 59 ILE HG1x 1.0 . 4.75 1735 1301 A 60 HIS H A 59 ILE HG1y 1.0 . 4.75 1736 1302 A 60 HIS H A 63 ASN HBx 1.0 . 4.17 1737 1302 A 60 HIS H A 63 ASN HBy 1.0 . 4.17 1738 1303 A 60 HIS H A 63 ASN HD2y 1.0 . 4.72 1739 1303 A 60 HIS H A 63 ASN HD2x 1.0 . 4.72 1740 1304 A 62 ALA HB% A 63 ASN HBx 1.0 . 4.99 1741 1304 A 62 ALA HB% A 63 ASN HBy 1.0 . 4.99 1742 1305 A 63 ASN H A 63 ASN HBx 1.0 . 3.19 1743 1305 A 63 ASN H A 63 ASN HBy 1.0 . 3.19 1744 1306 A 63 ASN H A 63 ASN HD2y 1.0 . 5.13 1745 1306 A 63 ASN H A 63 ASN HD2x 1.0 . 5.13 1746 1307 A 63 ASN HA A 69 SER HBy 1.0 . 3.87 1747 1307 A 63 ASN HA A 69 SER HBx 1.0 . 3.87 1748 1308 A 63 ASN HBx A 73 LEU HBx 1.0 . 4.15 1749 1308 A 63 ASN HBy A 73 LEU HBx 1.0 . 4.15 1750 1308 A 73 LEU HBy A 63 ASN HBx 1.0 . 4.15 1751 1308 A 63 ASN HBy A 73 LEU HBy 1.0 . 4.15 1752 1309 A 73 LEU HDx% A 63 ASN HBx 1.0 . 3.61 1753 1309 A 73 LEU HDx% A 63 ASN HBy 1.0 . 3.61 1754 1310 A 73 LEU HDy% A 63 ASN HD2y 1.0 . 3.84 1755 1310 A 73 LEU HDy% A 63 ASN HD2x 1.0 . 3.84 1756 1311 A 64 PHE HA A 70 MET HGy 1.0 . 4.34 1757 1311 A 64 PHE HA A 70 MET HGx 1.0 . 4.34 1758 1312 A 66 THR H A 69 SER HBy 1.0 . 3.44 1759 1312 A 66 THR H A 69 SER HBx 1.0 . 3.44 1760 1313 A 66 THR HA A 69 SER HBy 1.0 . 5.34 1761 1313 A 66 THR HA A 69 SER HBx 1.0 . 5.34 1762 1314 A 67 VAL H A 67 VAL HGy% 1.0 . 3.36 1763 1314 A 67 VAL H A 67 VAL HGx% 1.0 . 3.36 1764 1315 A 67 VAL HA A 67 VAL HGy% 1.0 . 2.74 1765 1315 A 67 VAL HA A 67 VAL HGx% 1.0 . 2.74 1766 1316 A 68 GLN H A 67 VAL HGy% 1.0 . 3.37 1767 1316 A 68 GLN H A 67 VAL HGx% 1.0 . 3.37 1768 1317 A 68 GLN HA A 67 VAL HGy% 1.0 . 3.91 1769 1317 A 68 GLN HA A 67 VAL HGx% 1.0 . 3.91 1770 1318 A 69 SER H A 67 VAL HGy% 1.0 . 5.44 1771 1318 A 69 SER H A 67 VAL HGx% 1.0 . 5.44 1772 1319 A 70 MET H A 67 VAL HGy% 1.0 . 4.95 1773 1319 A 70 MET H A 67 VAL HGx% 1.0 . 4.95 1774 1320 A 71 VAL H A 67 VAL HGy% 1.0 . 4.37 1775 1320 A 71 VAL H A 67 VAL HGx% 1.0 . 4.37 1776 1321 A 68 GLN H A 68 GLN HGy 1.0 . 4.08 1777 1321 A 68 GLN H A 68 GLN HGx 1.0 . 4.08 1778 1322 A 68 GLN H A 71 VAL HGy% 1.0 . 5.44 1779 1322 A 68 GLN H A 71 VAL HGx% 1.0 . 5.44 1780 1323 A 68 GLN HA A 68 GLN HGy 1.0 . 3.52 1781 1323 A 68 GLN HA A 68 GLN HGx 1.0 . 3.52 1782 1324 A 68 GLN HA A 71 VAL HGy% 1.0 . 3.64 1783 1324 A 68 GLN HA A 71 VAL HGx% 1.0 . 3.64 1784 1325 A 68 GLN HBy A 68 GLN HE2x 1.0 . 3.80 1785 1325 A 68 GLN HE2x A 68 GLN HBx 1.0 . 3.80 1786 1325 A 68 GLN HE2y A 68 GLN HBx 1.0 . 3.80 1787 1325 A 68 GLN HBy A 68 GLN HE2y 1.0 . 3.80 1788 1326 A 68 GLN HE2x A 68 GLN HGy 1.0 . 3.12 1789 1326 A 68 GLN HE2x A 68 GLN HGx 1.0 . 3.12 1790 1326 A 68 GLN HE2y A 68 GLN HGx 1.0 . 3.12 1791 1326 A 68 GLN HE2y A 68 GLN HGy 1.0 . 3.12 1792 1327 A 69 SER H A 68 GLN HGy 1.0 . 4.92 1793 1327 A 69 SER H A 68 GLN HGx 1.0 . 4.92 1794 1328 A 69 SER HA A 69 SER HBy 1.0 . 2.59 1795 1328 A 69 SER HA A 69 SER HBx 1.0 . 2.59 1796 1329 A 70 MET H A 69 SER HBy 1.0 . 3.75 1797 1329 A 70 MET H A 69 SER HBx 1.0 . 3.75 1798 1330 A 72 ALA H A 69 SER HBy 1.0 . 5.34 1799 1330 A 72 ALA H A 69 SER HBx 1.0 . 5.34 1800 1331 A 70 MET H A 70 MET HGy 1.0 . 3.33 1801 1331 A 70 MET H A 70 MET HGx 1.0 . 3.33 1802 1332 A 70 MET H A 71 VAL HGy% 1.0 . 4.28 1803 1332 A 70 MET H A 71 VAL HGx% 1.0 . 4.28 1804 1333 A 70 MET HA A 70 MET HGy 1.0 . 3.57 1805 1333 A 70 MET HA A 70 MET HGx 1.0 . 3.57 1806 1334 A 70 MET HA A 73 LEU HBx 1.0 . 4.16 1807 1334 A 70 MET HA A 73 LEU HBy 1.0 . 4.16 1808 1335 A 70 MET HA A 74 VAL HGy% 1.0 . 5.44 1809 1335 A 70 MET HA A 74 VAL HGx% 1.0 . 5.44 1810 1336 A 71 VAL H A 70 MET HGy 1.0 . 3.84 1811 1336 A 71 VAL H A 70 MET HGx 1.0 . 3.84 1812 1337 A 71 VAL H A 71 VAL HGy% 1.0 . 2.81 1813 1337 A 71 VAL H A 71 VAL HGx% 1.0 . 2.81 1814 1338 A 71 VAL HA A 71 VAL HGy% 1.0 . 2.57 1815 1338 A 71 VAL HA A 71 VAL HGx% 1.0 . 2.57 1816 1339 A 71 VAL HA A 75 GLN HGx 1.0 . 5.34 1817 1339 A 71 VAL HA A 75 GLN HGy 1.0 . 5.34 1818 1340 A 72 ALA H A 71 VAL HGy% 1.0 . 3.99 1819 1340 A 72 ALA H A 71 VAL HGx% 1.0 . 3.99 1820 1341 A 72 ALA HA A 71 VAL HGy% 1.0 . 3.86 1821 1341 A 72 ALA HA A 71 VAL HGx% 1.0 . 3.86 1822 1342 A 72 ALA HB% A 71 VAL HGy% 1.0 . 4.60 1823 1342 A 72 ALA HB% A 71 VAL HGx% 1.0 . 4.60 1824 1343 A 75 GLN H A 71 VAL HGy% 1.0 . 4.56 1825 1343 A 75 GLN H A 71 VAL HGx% 1.0 . 4.56 1826 1344 A 71 VAL HGy% A 75 GLN HGx 1.0 . 3.39 1827 1344 A 71 VAL HGx% A 75 GLN HGx 1.0 . 3.39 1828 1344 A 75 GLN HGy A 71 VAL HGy% 1.0 . 3.39 1829 1344 A 71 VAL HGx% A 75 GLN HGy 1.0 . 3.39 1830 1345 A 75 GLN HE2y A 71 VAL HGx% 1.0 . 3.88 1831 1345 A 75 GLN HE2x A 71 VAL HGy% 1.0 . 3.88 1832 1345 A 75 GLN HE2x A 71 VAL HGx% 1.0 . 3.88 1833 1345 A 75 GLN HE2y A 71 VAL HGy% 1.0 . 3.88 1834 1346 A 72 ALA H A 73 LEU HBx 1.0 . 4.81 1835 1346 A 72 ALA H A 73 LEU HBy 1.0 . 4.81 1836 1347 A 72 ALA HA A 75 GLN HGx 1.0 . 4.19 1837 1347 A 72 ALA HA A 75 GLN HGy 1.0 . 4.19 1838 1348 A 72 ALA HB% A 75 GLN HGx 1.0 . 4.01 1839 1348 A 72 ALA HB% A 75 GLN HGy 1.0 . 4.01 1840 1349 A 73 LEU H A 73 LEU HBx 1.0 . 2.89 1841 1349 A 73 LEU H A 73 LEU HBy 1.0 . 2.89 1842 1350 A 73 LEU HDy% A 73 LEU HBx 1.0 . 2.91 1843 1350 A 73 LEU HDy% A 73 LEU HBy 1.0 . 2.91 1844 1351 A 73 LEU HG A 74 VAL HGy% 1.0 . 3.21 1845 1351 A 73 LEU HG A 74 VAL HGx% 1.0 . 3.21 1846 1352 A 73 LEU HDy% A 74 VAL HGy% 1.0 . 3.43 1847 1352 A 73 LEU HDy% A 74 VAL HGx% 1.0 . 3.43 1848 1353 A 74 VAL H A 74 VAL HGy% 1.0 . 3.02 1849 1353 A 74 VAL H A 74 VAL HGx% 1.0 . 3.02 1850 1354 A 74 VAL H A 75 GLN HGx 1.0 . 4.77 1851 1354 A 74 VAL H A 75 GLN HGy 1.0 . 4.77 1852 1355 A 74 VAL HA A 74 VAL HGy% 1.0 . 2.97 1853 1355 A 74 VAL HA A 74 VAL HGx% 1.0 . 2.97 1854 1356 A 74 VAL HA A 77 LEU HBx 1.0 . 4.31 1855 1356 A 74 VAL HA A 77 LEU HBy 1.0 . 4.31 1856 1357 A 75 GLN H A 74 VAL HGy% 1.0 . 3.40 1857 1357 A 75 GLN H A 74 VAL HGx% 1.0 . 3.40 1858 1358 A 75 GLN HA A 74 VAL HGy% 1.0 . 4.05 1859 1358 A 75 GLN HA A 74 VAL HGx% 1.0 . 4.05 1860 1359 A 75 GLN HBx A 74 VAL HGy% 1.0 . 5.36 1861 1359 A 75 GLN HBx A 74 VAL HGx% 1.0 . 5.36 1862 1360 A 77 LEU HDy% A 74 VAL HGy% 1.0 . 3.64 1863 1360 A 77 LEU HDy% A 74 VAL HGx% 1.0 . 3.64 1864 1361 A 74 VAL HGy% A 78 LYS HEx 1.0 . 4.16 1865 1361 A 74 VAL HGx% A 78 LYS HEx 1.0 . 4.16 1866 1361 A 78 LYS HEy A 74 VAL HGy% 1.0 . 4.16 1867 1361 A 78 LYS HEy A 74 VAL HGx% 1.0 . 4.16 1868 1362 A 75 GLN HA A 75 GLN HGx 1.0 . 3.52 1869 1362 A 75 GLN HA A 75 GLN HGy 1.0 . 3.52 1870 1363 A 75 GLN HBx A 75 GLN HGx 1.0 . 2.43 1871 1363 A 75 GLN HBx A 75 GLN HGy 1.0 . 2.43 1872 1364 A 75 GLN HBy A 75 GLN HE2x 1.0 . 4.47 1873 1364 A 75 GLN HBy A 75 GLN HE2y 1.0 . 4.47 1874 1365 A 76 ARG H A 75 GLN HGx 1.0 . 4.53 1875 1365 A 76 ARG H A 75 GLN HGy 1.0 . 4.53 1876 1366 A 76 ARG H A 76 ARG HGy 1.0 . 3.31 1877 1366 A 76 ARG H A 76 ARG HGx 1.0 . 3.31 1878 1367 A 76 ARG H A 76 ARG HDy 1.0 . 4.15 1879 1367 A 76 ARG H A 76 ARG HDx 1.0 . 4.15 1880 1368 A 76 ARG HA A 76 ARG HGy 1.0 . 3.15 1881 1368 A 76 ARG HA A 76 ARG HGx 1.0 . 3.15 1882 1369 A 76 ARG HA A 76 ARG HDy 1.0 . 4.41 1883 1369 A 76 ARG HA A 76 ARG HDx 1.0 . 4.41 1884 1370 A 76 ARG HBy A 76 ARG HDy 1.0 . 3.27 1885 1370 A 76 ARG HBx A 76 ARG HDy 1.0 . 3.27 1886 1370 A 76 ARG HDx A 76 ARG HBx 1.0 . 3.27 1887 1370 A 76 ARG HBy A 76 ARG HDx 1.0 . 3.27 1888 1371 A 77 LEU H A 76 ARG HGy 1.0 . 4.48 1889 1371 A 77 LEU H A 76 ARG HGx 1.0 . 4.48 1890 1372 A 77 LEU HDx% A 77 LEU HBx 1.0 . 3.06 1891 1372 A 77 LEU HDx% A 77 LEU HBy 1.0 . 3.06 1892 1373 A 77 LEU HDy% A 77 LEU HBx 1.0 . 2.99 1893 1373 A 77 LEU HDy% A 77 LEU HBy 1.0 . 2.99 1894 1374 A 80 HIS H A 80 HIS HBx 1.0 . 3.45 1895 1374 A 80 HIS H A 80 HIS HBy 1.0 . 3.45 1896 1375 A 80 HIS HA A 81 PRO HDy 1.0 . 2.83 1897 1375 A 80 HIS HA A 81 PRO HDx 1.0 . 2.83 1898 1376 A 80 HIS HD2 A 80 HIS HBx 1.0 . 3.31 1899 1376 A 80 HIS HBy A 80 HIS HD2 1.0 . 3.31 1900 1377 A 82 GLU H A 80 HIS HBx 1.0 . 4.70 1901 1377 A 82 GLU H A 80 HIS HBy 1.0 . 4.70 1902 1378 A 80 HIS HBx A 83 GLN HBy 1.0 . 4.67 1903 1378 A 80 HIS HBy A 83 GLN HBy 1.0 . 4.67 1904 1378 A 83 GLN HBx A 80 HIS HBx 1.0 . 4.67 1905 1378 A 80 HIS HBy A 83 GLN HBx 1.0 . 4.67 1906 1379 A 80 HIS HBx A 83 GLN HGx 1.0 . 4.04 1907 1379 A 80 HIS HBy A 83 GLN HGx 1.0 . 4.04 1908 1379 A 83 GLN HGy A 80 HIS HBx 1.0 . 4.04 1909 1379 A 83 GLN HGy A 80 HIS HBy 1.0 . 4.04 1910 1380 A 82 GLU H A 81 PRO HBx 1.0 . 3.59 1911 1380 A 82 GLU H A 81 PRO HBy 1.0 . 3.59 1912 1381 A 82 GLU H A 81 PRO HDy 1.0 . 4.38 1913 1381 A 82 GLU H A 81 PRO HDx 1.0 . 4.38 1914 1382 A 81 PRO HDx A 83 GLN HGx 1.0 . 5.35 1915 1382 A 81 PRO HDy A 83 GLN HGx 1.0 . 5.35 1916 1382 A 83 GLN HGy A 81 PRO HDy 1.0 . 5.35 1917 1382 A 83 GLN HGy A 81 PRO HDx 1.0 . 5.35 1918 1383 A 82 GLU H A 82 GLU HBx 1.0 . 3.11 1919 1383 A 82 GLU H A 82 GLU HBy 1.0 . 3.11 1920 1384 A 82 GLU H A 82 GLU HGy 1.0 . 4.77 1921 1384 A 82 GLU H A 82 GLU HGx 1.0 . 4.77 1922 1385 A 83 GLN H A 82 GLU HGy 1.0 . 4.09 1923 1385 A 83 GLN H A 82 GLU HGx 1.0 . 4.09 1924 1386 A 83 GLN H A 83 GLN HBy 1.0 . 3.53 1925 1386 A 83 GLN H A 83 GLN HBx 1.0 . 3.53 1926 1387 A 83 GLN HBx A 84 GLY HAx 1.0 . 4.44 1927 1387 A 83 GLN HBy A 84 GLY HAx 1.0 . 4.44 1928 1387 A 84 GLY HAy A 83 GLN HBy 1.0 . 4.44 1929 1387 A 84 GLY HAy A 83 GLN HBx 1.0 . 4.44 1930 1388 A 88 LEU H A 88 LEU HBx 1.0 . 3.54 1931 1388 A 88 LEU H A 88 LEU HBy 1.0 . 3.54 1932 1389 A 88 LEU H A 88 LEU HDy% 1.0 . 4.36 1933 1389 A 88 LEU H A 88 LEU HDx% 1.0 . 4.36 1934 1390 A 88 LEU HA A 88 LEU HDy% 1.0 . 3.02 1935 1390 A 88 LEU HA A 88 LEU HDx% 1.0 . 3.02 1936 1391 A 88 LEU HBx A 88 LEU HDy% 1.0 . 2.77 1937 1391 A 88 LEU HBy A 88 LEU HDy% 1.0 . 2.77 1938 1391 A 88 LEU HDx% A 88 LEU HBx 1.0 . 2.77 1939 1391 A 88 LEU HBy A 88 LEU HDx% 1.0 . 2.77 stop_ save_