data_nef_c16403_2klx save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 16 CYS SG 1 19 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -3 GLY start . false 2 A -2 PRO middle . false 3 A -1 GLY middle . false 4 A 0 SER middle . . 5 A 1 MET middle . . 6 A 2 LYS middle . . 7 A 3 GLU middle . . 8 A 4 ILE middle . . 9 A 5 ILE middle . . 10 A 6 LEU middle . . 11 A 7 TYR middle . . 12 A 8 THR middle . . 13 A 9 ARG middle . . 14 A 10 PRO middle . false 15 A 11 ASN middle . . 16 A 12 CYS middle -HG . 17 A 13 PRO middle . false 18 A 14 TYR middle . . 19 A 15 CYS middle -HG . 20 A 16 LYS middle . . 21 A 17 ARG middle . . 22 A 18 ALA middle . . 23 A 19 ARG middle . . 24 A 20 ASP middle . . 25 A 21 LEU middle . . 26 A 22 LEU middle . . 27 A 23 ASP middle . . 28 A 24 LYS middle . . 29 A 25 LYS middle . . 30 A 26 GLY middle . false 31 A 27 VAL middle . . 32 A 28 LYS middle . . 33 A 29 TYR middle . . 34 A 30 THR middle . . 35 A 31 ASP middle . . 36 A 32 ILE middle . . 37 A 33 ASP middle . . 38 A 34 ALA middle . . 39 A 35 SER middle . . 40 A 36 THR middle . . 41 A 37 SER middle . . 42 A 38 LEU middle . . 43 A 39 ARG middle . . 44 A 40 GLN middle . . 45 A 41 GLU middle . . 46 A 42 MET middle . . 47 A 43 VAL middle . . 48 A 44 GLN middle . . 49 A 45 ARG middle . . 50 A 46 ALA middle . . 51 A 47 ASN middle . . 52 A 48 GLY middle . false 53 A 49 ARG middle . . 54 A 50 ASN middle . . 55 A 51 THR middle . . 56 A 52 PHE middle . . 57 A 53 PRO middle . false 58 A 54 GLN middle . . 59 A 55 ILE middle . . 60 A 56 PHE middle . . 61 A 57 ILE middle . . 62 A 58 GLY middle . false 63 A 59 ASP middle . . 64 A 60 TYR middle . . 65 A 61 HIS middle . . 66 A 62 VAL middle . . 67 A 63 GLY middle . false 68 A 64 GLY middle . false 69 A 65 CYS middle . . 70 A 66 ASP middle . . 71 A 67 ASP middle . . 72 A 68 LEU middle . . 73 A 69 TYR middle . . 74 A 70 ALA middle . . 75 A 71 LEU middle . . 76 A 72 GLU middle . . 77 A 73 ASN middle . . 78 A 74 LYS middle . . 79 A 75 GLY middle . false 80 A 76 LYS middle . . 81 A 77 LEU middle . . 82 A 78 ASP middle . . 83 A 79 SER middle . . 84 A 80 LEU middle . . 85 A 81 LEU middle . . 86 A 82 GLN middle . . 87 A 83 ASP middle . . 88 A 84 VAL middle . . 89 A 85 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A -2 PRO C C 13 177.005 0.400 A -2 PRO CA C 13 63.481 0.400 A -2 PRO CB C 13 32.244 0.400 A -1 GLY H H 1 8.665 0.020 A -1 GLY HAx H 1 3.985 0.020 A -1 GLY HAy H 1 3.985 0.020 A -1 GLY C C 13 173.706 0.400 A -1 GLY CA C 13 45.291 0.400 A -1 GLY N N 15 109.788 0.400 A 0 SER H H 1 8.190 0.020 A 0 SER HA H 1 4.477 0.020 A 0 SER HBy H 1 3.891 0.020 A 0 SER HBx H 1 3.889 0.020 A 0 SER C C 13 175.738 0.400 A 0 SER CA C 13 58.322 0.400 A 0 SER CB C 13 63.927 0.400 A 0 SER N N 15 115.613 0.400 A 1 MET H H 1 8.458 0.020 A 1 MET HA H 1 4.320 0.020 A 1 MET HBy H 1 1.675 0.020 A 1 MET HBx H 1 1.429 0.020 A 1 MET HE% H 1 0.909 0.020 A 1 MET HGy H 1 3.006 0.020 A 1 MET HGx H 1 2.074 0.020 A 1 MET C C 13 173.977 0.400 A 1 MET CA C 13 56.011 0.400 A 1 MET CB C 13 33.797 0.400 A 1 MET N N 15 122.334 0.400 A 2 LYS H H 1 8.445 0.020 A 2 LYS HA H 1 4.566 0.020 A 2 LYS HBx H 1 2.081 0.020 A 2 LYS HBy H 1 2.081 0.020 A 2 LYS HDx H 1 1.997 0.020 A 2 LYS HDy H 1 1.997 0.020 A 2 LYS HEx H 1 2.582 0.020 A 2 LYS HEy H 1 2.582 0.020 A 2 LYS C C 13 174.575 0.400 A 2 LYS CA C 13 55.887 0.400 A 2 LYS CB C 13 33.848 0.400 A 2 LYS N N 15 122.229 0.400 A 3 GLU H H 1 8.324 0.020 A 3 GLU HA H 1 4.440 0.020 A 3 GLU HBx H 1 2.178 0.020 A 3 GLU HBy H 1 2.178 0.020 A 3 GLU HGx H 1 1.886 0.020 A 3 GLU HGy H 1 1.978 0.020 A 3 GLU C C 13 175.491 0.400 A 3 GLU CA C 13 55.680 0.400 A 3 GLU CB C 13 31.513 0.400 A 3 GLU N N 15 121.539 0.400 A 4 ILE H H 1 9.014 0.020 A 4 ILE HA H 1 5.025 0.020 A 4 ILE HB H 1 2.052 0.020 A 4 ILE HD1% H 1 0.829 0.020 A 4 ILE HG1y H 1 1.856 0.020 A 4 ILE HG1x H 1 1.843 0.020 A 4 ILE HG2% H 1 0.963 0.020 A 4 ILE C C 13 174.199 0.400 A 4 ILE CA C 13 60.927 0.400 A 4 ILE CB C 13 38.759 0.400 A 4 ILE CD1 C 13 17.353 0.400 A 4 ILE CG2 C 13 14.975 0.400 A 4 ILE N N 15 127.255 0.400 A 5 ILE H H 1 9.104 0.020 A 5 ILE HA H 1 4.900 0.020 A 5 ILE HB H 1 1.702 0.020 A 5 ILE HD1% H 1 0.389 0.020 A 5 ILE HG1x H 1 0.983 0.020 A 5 ILE HG1y H 1 1.414 0.020 A 5 ILE HG2% H 1 0.687 0.020 A 5 ILE C C 13 173.906 0.400 A 5 ILE CA C 13 59.727 0.400 A 5 ILE CB C 13 41.627 0.400 A 5 ILE CD1 C 13 17.730 0.400 A 5 ILE CG1 C 13 28.300 0.400 A 5 ILE CG2 C 13 16.652 0.400 A 5 ILE N N 15 128.326 0.400 A 6 LEU H H 1 8.891 0.020 A 6 LEU HA H 1 5.157 0.020 A 6 LEU HBy H 1 1.485 0.020 A 6 LEU HBx H 1 1.353 0.020 A 6 LEU HDy% H 1 0.467 0.020 A 6 LEU HG H 1 1.523 0.020 A 6 LEU CA C 13 54.076 0.400 A 6 LEU CB C 13 44.892 0.400 A 6 LEU CD2 C 13 26.262 0.400 A 6 LEU CG C 13 28.095 0.400 A 6 LEU N N 15 125.779 0.400 A 7 TYR H H 1 9.099 0.020 A 7 TYR HA H 1 4.336 0.020 A 7 TYR HBy H 1 3.201 0.020 A 7 TYR HBx H 1 2.917 0.020 A 7 TYR HD1 H 1 6.557 0.020 A 7 TYR HD2 H 1 6.557 0.020 A 7 TYR HE1 H 1 7.206 0.020 A 7 TYR HE2 H 1 7.206 0.020 A 7 TYR C C 13 177.041 0.400 A 7 TYR CA C 13 57.379 0.400 A 7 TYR CB C 13 40.345 0.400 A 8 THR H H 1 9.286 0.020 A 8 THR HA H 1 5.105 0.020 A 8 THR HB H 1 4.380 0.020 A 8 THR HG2% H 1 1.130 0.020 A 8 THR C C 13 172.005 0.400 A 8 THR CA C 13 60.604 0.400 A 8 THR CB C 13 73.108 0.400 A 8 THR CG2 C 13 21.575 0.400 A 8 THR N N 15 111.938 0.400 A 9 ARG H H 1 7.513 0.020 A 9 ARG HA H 1 4.826 0.020 A 9 ARG HBx H 1 1.142 0.020 A 9 ARG HBy H 1 1.142 0.020 A 9 ARG HDx H 1 2.714 0.020 A 9 ARG HDy H 1 2.714 0.020 A 9 ARG HGx H 1 1.018 0.020 A 9 ARG HGy H 1 1.018 0.020 A 9 ARG CA C 13 52.836 0.400 A 9 ARG CB C 13 31.436 0.400 A 9 ARG N N 15 114.036 0.400 A 10 PRO HA H 1 4.294 0.020 A 10 PRO HBy H 1 1.949 0.020 A 10 PRO HBx H 1 1.517 0.020 A 10 PRO HDx H 1 3.894 0.020 A 10 PRO HDy H 1 3.894 0.020 A 10 PRO HGx H 1 1.640 0.020 A 10 PRO HGy H 1 1.641 0.020 A 10 PRO C C 13 176.477 0.400 A 10 PRO CA C 13 63.464 0.400 A 10 PRO CB C 13 32.615 0.400 A 11 ASN H H 1 8.987 0.020 A 11 ASN HA H 1 4.240 0.020 A 11 ASN HBx H 1 2.831 0.020 A 11 ASN HBy H 1 2.836 0.020 A 11 ASN HD2x H 1 6.958 0.020 A 11 ASN HD2y H 1 7.598 0.020 A 11 ASN C C 13 176.266 0.400 A 11 ASN CA C 13 54.464 0.400 A 11 ASN CB C 13 37.500 0.400 A 11 ASN CG C 13 177.745 0.400 A 11 ASN N N 15 115.463 0.400 A 11 ASN ND2 N 15 114.192 0.400 A 12 CYS H H 1 7.324 0.020 A 12 CYS HA H 1 4.931 0.020 A 12 CYS HBy H 1 2.808 0.020 A 12 CYS HBx H 1 2.686 0.020 A 12 CYS CA C 13 56.277 0.400 A 12 CYS N N 15 123.174 0.400 A 13 PRO C C 13 178.555 0.400 A 13 PRO CA C 13 64.409 0.400 A 13 PRO CB C 13 33.538 0.400 A 14 TYR H H 1 9.325 0.020 A 14 TYR HA H 1 4.404 0.020 A 14 TYR HBy H 1 3.373 0.020 A 14 TYR HBx H 1 3.144 0.020 A 14 TYR HD1 H 1 7.352 0.020 A 14 TYR HD2 H 1 7.352 0.020 A 14 TYR HE1 H 1 6.943 0.020 A 14 TYR HE2 H 1 6.943 0.020 A 14 TYR CA C 13 60.921 0.400 A 14 TYR N N 15 127.149 0.400 A 15 CYS H H 1 9.687 0.020 A 15 CYS HA H 1 4.725 0.020 A 15 CYS C C 13 174.998 0.400 A 15 CYS CA C 13 64.573 0.400 A 15 CYS CB C 13 29.227 0.400 A 15 CYS N N 15 127.652 0.400 A 16 LYS H H 1 7.706 0.020 A 16 LYS HA H 1 3.946 0.020 A 16 LYS HBx H 1 1.707 0.020 A 16 LYS HBy H 1 1.875 0.020 A 16 LYS HDx H 1 1.622 0.020 A 16 LYS HDy H 1 1.622 0.020 A 16 LYS HEx H 1 3.021 0.020 A 16 LYS HEy H 1 3.021 0.020 A 16 LYS HGy H 1 1.452 0.020 A 16 LYS HGx H 1 1.446 0.020 A 16 LYS C C 13 177.252 0.400 A 16 LYS CA C 13 59.857 0.400 A 16 LYS CB C 13 32.542 0.400 A 16 LYS N N 15 119.200 0.400 A 17 ARG H H 1 7.839 0.020 A 17 ARG HA H 1 4.176 0.020 A 17 ARG HBy H 1 2.005 0.020 A 17 ARG HBx H 1 1.858 0.020 A 17 ARG HDy H 1 3.277 0.020 A 17 ARG HDx H 1 3.054 0.020 A 17 ARG HGx H 1 1.412 0.020 A 17 ARG HGy H 1 1.563 0.020 A 17 ARG C C 13 179.858 0.400 A 17 ARG CA C 13 59.647 0.400 A 17 ARG CB C 13 30.340 0.400 A 17 ARG N N 15 117.964 0.400 A 18 ALA H H 1 8.084 0.020 A 18 ALA HA H 1 4.168 0.020 A 18 ALA HB% H 1 1.379 0.020 A 18 ALA C C 13 177.322 0.400 A 18 ALA CA C 13 55.859 0.400 A 18 ALA CB C 13 19.047 0.400 A 18 ALA N N 15 124.839 0.400 A 19 ARG H H 1 7.811 0.020 A 19 ARG HA H 1 3.320 0.020 A 19 ARG HBx H 1 1.912 0.020 A 19 ARG HBy H 1 1.970 0.020 A 19 ARG HDy H 1 3.432 0.020 A 19 ARG HDx H 1 3.383 0.020 A 19 ARG HGy H 1 1.678 0.020 A 19 ARG HGx H 1 1.139 0.020 A 19 ARG C C 13 177.217 0.400 A 19 ARG CA C 13 60.780 0.400 A 19 ARG CB C 13 30.828 0.400 A 19 ARG N N 15 116.980 0.400 A 20 ASP H H 1 8.710 0.020 A 20 ASP HA H 1 4.299 0.020 A 20 ASP HBx H 1 2.813 0.020 A 20 ASP HBy H 1 2.813 0.020 A 20 ASP C C 13 178.625 0.400 A 20 ASP CA C 13 57.477 0.400 A 20 ASP CB C 13 40.551 0.400 A 20 ASP N N 15 116.717 0.400 A 21 LEU H H 1 7.114 0.020 A 21 LEU HA H 1 4.131 0.020 A 21 LEU HBy H 1 1.547 0.020 A 21 LEU HBx H 1 1.483 0.020 A 21 LEU HDx% H 1 1.094 0.020 A 21 LEU HDy% H 1 -0.020 0.020 A 21 LEU C C 13 177.580 0.400 A 21 LEU CA C 13 57.857 0.400 A 21 LEU CB C 13 41.654 0.400 A 21 LEU CD1 C 13 27.107 0.400 A 21 LEU CD2 C 13 24.537 0.400 A 21 LEU N N 15 119.808 0.400 A 22 LEU H H 1 7.294 0.020 A 22 LEU HA H 1 3.767 0.020 A 22 LEU HBy H 1 1.713 0.020 A 22 LEU HBx H 1 1.344 0.020 A 22 LEU HDx% H 1 0.592 0.020 A 22 LEU HDy% H 1 0.337 0.020 A 22 LEU C C 13 178.696 0.400 A 22 LEU CA C 13 58.107 0.400 A 22 LEU CB C 13 40.750 0.400 A 22 LEU CD1 C 13 21.477 0.400 A 22 LEU CD2 C 13 26.637 0.400 A 22 LEU N N 15 117.901 0.400 A 23 ASP H H 1 9.446 0.020 A 23 ASP HA H 1 4.608 0.020 A 23 ASP HBx H 1 2.893 0.020 A 23 ASP HBy H 1 2.893 0.020 A 23 ASP C C 13 180.104 0.400 A 23 ASP CA C 13 57.406 0.400 A 23 ASP CB C 13 39.839 0.400 A 23 ASP N N 15 119.946 0.400 A 24 LYS H H 1 7.915 0.020 A 24 LYS HA H 1 4.079 0.020 A 24 LYS HBx H 1 2.047 0.020 A 24 LYS HBy H 1 2.047 0.020 A 24 LYS HDx H 1 1.637 0.020 A 24 LYS HDy H 1 1.637 0.020 A 24 LYS HEx H 1 2.884 0.020 A 24 LYS HEy H 1 2.884 0.020 A 24 LYS HGx H 1 1.481 0.020 A 24 LYS HGy H 1 1.481 0.020 A 24 LYS C C 13 178.414 0.400 A 24 LYS CA C 13 59.295 0.400 A 24 LYS CB C 13 32.342 0.400 A 24 LYS N N 15 122.484 0.400 A 25 LYS H H 1 7.763 0.020 A 25 LYS HA H 1 4.195 0.020 A 25 LYS HBy H 1 2.015 0.020 A 25 LYS HBx H 1 1.914 0.020 A 25 LYS HDx H 1 1.624 0.020 A 25 LYS HDy H 1 1.627 0.020 A 25 LYS HEx H 1 3.193 0.020 A 25 LYS HEy H 1 3.193 0.020 A 25 LYS HGx H 1 1.385 0.020 A 25 LYS HGy H 1 1.385 0.020 A 25 LYS C C 13 176.583 0.400 A 25 LYS CA C 13 56.122 0.400 A 25 LYS CB C 13 32.771 0.400 A 25 LYS N N 15 116.683 0.400 A 26 GLY H H 1 7.961 0.020 A 26 GLY HAy H 1 4.005 0.020 A 26 GLY HAx H 1 3.894 0.020 A 26 GLY C C 13 174.223 0.400 A 26 GLY CA C 13 46.265 0.400 A 26 GLY N N 15 108.209 0.400 A 27 VAL H H 1 7.440 0.020 A 27 VAL HA H 1 4.355 0.020 A 27 VAL HB H 1 2.144 0.020 A 27 VAL HGx% H 1 0.926 0.020 A 27 VAL HGy% H 1 0.919 0.020 A 27 VAL C C 13 174.294 0.400 A 27 VAL CA C 13 60.115 0.400 A 27 VAL CB C 13 33.737 0.400 A 27 VAL CG1 C 13 22.483 0.400 A 27 VAL N N 15 114.927 0.400 A 28 LYS H H 1 8.408 0.020 A 28 LYS HA H 1 4.268 0.020 A 28 LYS HBx H 1 1.723 0.020 A 28 LYS HBy H 1 1.723 0.020 A 28 LYS HDx H 1 1.596 0.020 A 28 LYS HDy H 1 1.596 0.020 A 28 LYS HEx H 1 2.950 0.020 A 28 LYS HEy H 1 2.950 0.020 A 28 LYS HGx H 1 1.384 0.020 A 28 LYS HGy H 1 1.384 0.020 A 28 LYS C C 13 175.385 0.400 A 28 LYS CA C 13 55.441 0.400 A 28 LYS CB C 13 33.269 0.400 A 28 LYS N N 15 124.540 0.400 A 29 TYR H H 1 7.451 0.020 A 29 TYR HA H 1 5.149 0.020 A 29 TYR HBy H 1 2.694 0.020 A 29 TYR HBx H 1 2.605 0.020 A 29 TYR HD1 H 1 6.646 0.020 A 29 TYR HD2 H 1 6.646 0.020 A 29 TYR HE1 H 1 6.806 0.020 A 29 TYR HE2 H 1 6.806 0.020 A 29 TYR C C 13 173.730 0.400 A 29 TYR CA C 13 57.198 0.400 A 29 TYR CB C 13 41.499 0.400 A 29 TYR CD1 C 13 131.018 0.400 A 29 TYR CD2 C 13 131.018 0.400 A 29 TYR CE1 C 13 117.234 0.400 A 29 TYR CE2 C 13 117.234 0.400 A 29 TYR N N 15 117.090 0.400 A 30 THR H H 1 9.106 0.020 A 30 THR HA H 1 4.368 0.020 A 30 THR HB H 1 4.104 0.020 A 30 THR HG2% H 1 1.139 0.020 A 30 THR C C 13 171.336 0.400 A 30 THR CA C 13 62.096 0.400 A 30 THR CB C 13 70.603 0.400 A 30 THR CG2 C 13 20.597 0.400 A 30 THR N N 15 119.343 0.400 A 31 ASP H H 1 8.772 0.020 A 31 ASP HA H 1 5.283 0.020 A 31 ASP HBy H 1 3.052 0.020 A 31 ASP HBx H 1 2.326 0.020 A 31 ASP C C 13 175.245 0.400 A 31 ASP CA C 13 52.549 0.400 A 31 ASP CB C 13 42.286 0.400 A 31 ASP N N 15 129.184 0.400 A 32 ILE H H 1 9.283 0.020 A 32 ILE HA H 1 4.081 0.020 A 32 ILE HB H 1 1.518 0.020 A 32 ILE HD1% H 1 0.580 0.020 A 32 ILE HG1y H 1 1.304 0.020 A 32 ILE HG1x H 1 1.250 0.020 A 32 ILE HG2% H 1 0.855 0.020 A 32 ILE C C 13 175.854 0.400 A 32 ILE CA C 13 60.226 0.400 A 32 ILE CB C 13 39.998 0.400 A 32 ILE CD1 C 13 12.920 0.400 A 32 ILE N N 15 129.240 0.400 A 33 ASP H H 1 8.298 0.020 A 33 ASP HA H 1 4.648 0.020 A 33 ASP HBy H 1 2.816 0.020 A 33 ASP HBx H 1 2.619 0.020 A 33 ASP CA C 13 54.101 0.400 A 33 ASP CB C 13 40.536 0.400 A 33 ASP N N 15 125.570 0.400 A 34 ALA H H 1 9.840 0.020 A 34 ALA HA H 1 4.620 0.020 A 34 ALA HB% H 1 1.602 0.020 A 34 ALA C C 13 175.185 0.400 A 34 ALA CA C 13 51.239 0.400 A 34 ALA CB C 13 20.627 0.400 A 34 ALA N N 15 134.980 0.400 A 35 SER H H 1 8.679 0.020 A 35 SER HA H 1 4.189 0.020 A 35 SER HBy H 1 3.993 0.020 A 35 SER HBx H 1 3.748 0.020 A 35 SER C C 13 175.713 0.400 A 35 SER CA C 13 60.956 0.400 A 35 SER CB C 13 64.425 0.400 A 35 SER N N 15 111.865 0.400 A 36 THR H H 1 8.438 0.020 A 36 THR HA H 1 4.672 0.020 A 36 THR HB H 1 4.450 0.020 A 36 THR HG2% H 1 1.212 0.020 A 36 THR CA C 13 59.859 0.400 A 36 THR CG2 C 13 21.616 0.400 A 36 THR N N 15 114.335 0.400 A 37 SER C C 13 174.129 0.400 A 37 SER CA C 13 60.964 0.400 A 37 SER CB C 13 63.605 0.400 A 38 LEU H H 1 8.643 0.020 A 38 LEU HA H 1 4.679 0.020 A 38 LEU HBx H 1 1.890 0.020 A 38 LEU HBy H 1 1.890 0.020 A 38 LEU HDx% H 1 0.917 0.020 A 38 LEU HDy% H 1 0.917 0.020 A 38 LEU HG H 1 1.740 0.020 A 38 LEU C C 13 176.347 0.400 A 38 LEU CA C 13 54.842 0.400 A 38 LEU CB C 13 41.117 0.400 A 38 LEU N N 15 121.245 0.400 A 39 ARG H H 1 7.583 0.020 A 39 ARG HA H 1 4.173 0.020 A 39 ARG HBy H 1 1.842 0.020 A 39 ARG HBx H 1 1.701 0.020 A 39 ARG HDx H 1 3.305 0.020 A 39 ARG HDy H 1 3.305 0.020 A 39 ARG HGy H 1 0.978 0.020 A 39 ARG HGx H 1 0.864 0.020 A 39 ARG C C 13 175.925 0.400 A 39 ARG CA C 13 60.907 0.400 A 39 ARG N N 15 123.341 0.400 A 40 GLN H H 1 8.203 0.020 A 40 GLN HA H 1 3.974 0.020 A 40 GLN HBy H 1 2.094 0.020 A 40 GLN HBx H 1 2.077 0.020 A 40 GLN HE2y H 1 7.395 0.020 A 40 GLN HE2x H 1 6.786 0.020 A 40 GLN HGy H 1 2.395 0.020 A 40 GLN HGx H 1 2.386 0.020 A 40 GLN C C 13 175.608 0.400 A 40 GLN CA C 13 58.622 0.400 A 40 GLN CB C 13 28.591 0.400 A 40 GLN CD C 13 179.710 0.400 A 40 GLN CG C 13 34.125 0.400 A 40 GLN N N 15 114.940 0.400 A 40 GLN NE2 N 15 111.598 0.400 A 41 GLU H H 1 7.616 0.020 A 41 GLU HA H 1 3.947 0.020 A 41 GLU HBx H 1 2.010 0.020 A 41 GLU HBy H 1 2.024 0.020 A 41 GLU HGx H 1 2.179 0.020 A 41 GLU HGy H 1 2.179 0.020 A 41 GLU CA C 13 59.009 0.400 A 41 GLU CB C 13 30.110 0.400 A 41 GLU N N 15 120.916 0.400 A 42 MET H H 1 7.474 0.020 A 42 MET HA H 1 4.778 0.020 A 42 MET HBx H 1 2.756 0.020 A 42 MET HBy H 1 2.756 0.020 A 42 MET HE% H 1 2.064 0.020 A 42 MET HGy H 1 1.811 0.020 A 42 MET C C 13 176.347 0.400 A 42 MET CA C 13 59.567 0.400 A 42 MET CB C 13 30.294 0.400 A 42 MET CE C 13 17.140 0.400 A 42 MET N N 15 118.736 0.400 A 43 VAL H H 1 8.006 0.020 A 43 VAL HA H 1 3.624 0.020 A 43 VAL HB H 1 1.918 0.020 A 43 VAL HGx% H 1 0.879 0.020 A 43 VAL HGy% H 1 0.730 0.020 A 43 VAL C C 13 176.911 0.400 A 43 VAL CA C 13 65.362 0.400 A 43 VAL CB C 13 31.859 0.400 A 43 VAL CG2 C 13 21.285 0.400 A 43 VAL N N 15 116.804 0.400 A 44 GLN H H 1 7.935 0.020 A 44 GLN HA H 1 3.972 0.020 A 44 GLN HBx H 1 2.067 0.020 A 44 GLN HBy H 1 2.067 0.020 A 44 GLN HE2y H 1 7.534 0.020 A 44 GLN HE2x H 1 6.861 0.020 A 44 GLN HGy H 1 2.431 0.020 A 44 GLN HGx H 1 2.331 0.020 A 44 GLN C C 13 178.636 0.400 A 44 GLN CA C 13 58.472 0.400 A 44 GLN CB C 13 30.542 0.400 A 44 GLN N N 15 117.704 0.400 A 44 GLN NE2 N 15 111.360 0.400 A 45 ARG H H 1 8.100 0.020 A 45 ARG HA H 1 3.906 0.020 A 45 ARG HBy H 1 1.615 0.020 A 45 ARG HBx H 1 1.528 0.020 A 45 ARG HGx H 1 1.356 0.020 A 45 ARG HGy H 1 1.363 0.020 A 45 ARG CA C 13 59.397 0.400 A 45 ARG CB C 13 29.993 0.400 A 45 ARG N N 15 120.984 0.400 A 46 ALA H H 1 8.279 0.020 A 46 ALA HA H 1 3.782 0.020 A 46 ALA HB% H 1 1.329 0.020 A 46 ALA C C 13 178.073 0.400 A 46 ALA CA C 13 51.408 0.400 A 46 ALA CB C 13 18.883 0.400 A 46 ALA N N 15 118.254 0.400 A 47 ASN H H 1 7.706 0.020 A 47 ASN HA H 1 4.420 0.020 A 47 ASN HBy H 1 3.081 0.020 A 47 ASN HBx H 1 2.716 0.020 A 47 ASN HD2y H 1 7.683 0.020 A 47 ASN HD2x H 1 6.908 0.020 A 47 ASN C C 13 174.974 0.400 A 47 ASN CA C 13 54.303 0.400 A 47 ASN CB C 13 37.804 0.400 A 47 ASN CG C 13 177.756 0.400 A 47 ASN N N 15 115.277 0.400 A 47 ASN ND2 N 15 113.394 0.400 A 48 GLY H H 1 8.702 0.020 A 48 GLY HAy H 1 4.267 0.020 A 48 GLY HAx H 1 3.379 0.020 A 48 GLY CA C 13 45.176 0.400 A 48 GLY N N 15 104.035 0.400 A 49 ARG H H 1 7.116 0.020 A 49 ARG HA H 1 4.144 0.020 A 49 ARG HBx H 1 1.902 0.020 A 49 ARG HBy H 1 1.902 0.020 A 49 ARG HDy H 1 3.393 0.020 A 49 ARG HDx H 1 3.262 0.020 A 49 ARG HGx H 1 1.732 0.020 A 49 ARG HGy H 1 1.732 0.020 A 49 ARG C C 13 176.101 0.400 A 49 ARG CA C 13 57.285 0.400 A 49 ARG N N 15 121.384 0.400 A 50 ASN H H 1 7.958 0.020 A 50 ASN HA H 1 4.589 0.020 A 50 ASN HBy H 1 2.621 0.020 A 50 ASN HBx H 1 2.503 0.020 A 50 ASN HD2y H 1 7.333 0.020 A 50 ASN HD2x H 1 6.687 0.020 A 50 ASN CA C 13 51.568 0.400 A 50 ASN CB C 13 38.018 0.400 A 50 ASN CG C 13 176.435 0.400 A 50 ASN N N 15 116.546 0.400 A 50 ASN ND2 N 15 110.121 0.400 A 51 THR H H 1 6.818 0.020 A 51 THR HA H 1 4.283 0.020 A 51 THR HB H 1 4.579 0.020 A 51 THR HG2% H 1 1.087 0.020 A 51 THR C C 13 172.509 0.400 A 51 THR CA C 13 59.829 0.400 A 51 THR CB C 13 70.400 0.400 A 51 THR CG2 C 13 21.536 0.400 A 51 THR N N 15 108.070 0.400 A 52 PHE H H 1 8.444 0.020 A 52 PHE HA H 1 4.730 0.020 A 52 PHE HBy H 1 3.003 0.020 A 52 PHE HBx H 1 2.739 0.020 A 52 PHE HD1 H 1 7.108 0.020 A 52 PHE HD2 H 1 7.108 0.020 A 52 PHE HE1 H 1 7.241 0.020 A 52 PHE HE2 H 1 7.241 0.020 A 52 PHE HZ H 1 6.864 0.020 A 52 PHE CA C 13 55.529 0.400 A 52 PHE N N 15 116.926 0.400 A 53 PRO CA C 13 62.827 0.400 A 53 PRO CB C 13 35.258 0.400 A 54 GLN H H 1 8.070 0.020 A 54 GLN HA H 1 4.853 0.020 A 54 GLN HBx H 1 1.860 0.020 A 54 GLN HBy H 1 1.860 0.020 A 54 GLN HE2y H 1 7.518 0.020 A 54 GLN HE2x H 1 5.779 0.020 A 54 GLN HGx H 1 2.070 0.020 A 54 GLN HGy H 1 2.070 0.020 A 54 GLN C C 13 175.291 0.400 A 54 GLN CA C 13 55.071 0.400 A 54 GLN CB C 13 32.237 0.400 A 54 GLN N N 15 113.697 0.400 A 54 GLN NE2 N 15 113.307 0.400 A 55 ILE H H 1 8.753 0.020 A 55 ILE HA H 1 5.089 0.020 A 55 ILE HB H 1 1.425 0.020 A 55 ILE HD1% H 1 0.659 0.020 A 55 ILE HG1y H 1 0.874 0.020 A 55 ILE HG1x H 1 0.806 0.020 A 55 ILE HG2% H 1 0.706 0.020 A 55 ILE C C 13 174.164 0.400 A 55 ILE CA C 13 61.194 0.400 A 55 ILE CB C 13 40.657 0.400 A 55 ILE CD1 C 13 15.963 0.400 A 55 ILE CG2 C 13 12.938 0.400 A 55 ILE N N 15 122.202 0.400 A 56 PHE H H 1 9.564 0.020 A 56 PHE HA H 1 5.390 0.020 A 56 PHE HBy H 1 3.258 0.020 A 56 PHE HBx H 1 3.003 0.020 A 56 PHE HD1 H 1 7.209 0.020 A 56 PHE HD2 H 1 7.209 0.020 A 56 PHE HE1 H 1 7.094 0.020 A 56 PHE HE2 H 1 7.094 0.020 A 56 PHE HZ H 1 6.360 0.020 A 56 PHE C C 13 174.305 0.400 A 56 PHE CA C 13 56.614 0.400 A 56 PHE CB C 13 42.488 0.400 A 56 PHE N N 15 127.604 0.400 A 57 ILE H H 1 9.231 0.020 A 57 ILE HA H 1 4.483 0.020 A 57 ILE HB H 1 1.807 0.020 A 57 ILE HD1% H 1 0.645 0.020 A 57 ILE HG1y H 1 1.539 0.020 A 57 ILE HG1x H 1 0.936 0.020 A 57 ILE HG2% H 1 0.787 0.020 A 57 ILE C C 13 176.418 0.400 A 57 ILE CA C 13 60.800 0.400 A 57 ILE CB C 13 39.431 0.400 A 57 ILE CD1 C 13 14.623 0.400 A 57 ILE CG1 C 13 25.317 0.400 A 57 ILE CG2 C 13 17.611 0.400 A 57 ILE N N 15 121.606 0.400 A 58 GLY H H 1 9.118 0.020 A 58 GLY HAy H 1 4.092 0.020 A 58 GLY HAx H 1 3.951 0.020 A 58 GLY C C 13 174.058 0.400 A 58 GLY CA C 13 47.516 0.400 A 58 GLY N N 15 118.483 0.400 A 59 ASP H H 1 8.944 0.020 A 59 ASP HA H 1 4.762 0.020 A 59 ASP HBy H 1 2.856 0.020 A 59 ASP HBx H 1 2.765 0.020 A 59 ASP C C 13 175.220 0.400 A 59 ASP CA C 13 54.467 0.400 A 59 ASP CB C 13 40.913 0.400 A 59 ASP N N 15 125.981 0.400 A 60 TYR H H 1 8.332 0.020 A 60 TYR HA H 1 4.600 0.020 A 60 TYR HBy H 1 3.441 0.020 A 60 TYR HBx H 1 3.061 0.020 A 60 TYR HD1 H 1 6.975 0.020 A 60 TYR HD2 H 1 6.975 0.020 A 60 TYR HE1 H 1 6.694 0.020 A 60 TYR HE2 H 1 6.694 0.020 A 60 TYR C C 13 174.023 0.400 A 60 TYR CA C 13 57.761 0.400 A 60 TYR CB C 13 33.473 0.400 A 60 TYR N N 15 122.443 0.400 A 61 HIS H H 1 8.625 0.020 A 61 HIS HA H 1 4.200 0.020 A 61 HIS HBy H 1 2.979 0.020 A 61 HIS HBx H 1 2.839 0.020 A 61 HIS HD2 H 1 7.229 0.020 A 61 HIS HE1 H 1 8.807 0.020 A 61 HIS C C 13 171.910 0.400 A 61 HIS CA C 13 53.347 0.400 A 61 HIS CB C 13 28.830 0.400 A 61 HIS N N 15 129.863 0.400 A 62 VAL H H 1 8.059 0.020 A 62 VAL HA H 1 3.316 0.020 A 62 VAL HB H 1 1.604 0.020 A 62 VAL HGx% H 1 0.859 0.020 A 62 VAL HGy% H 1 0.599 0.020 A 62 VAL CA C 13 64.194 0.400 A 62 VAL CB C 13 32.770 0.400 A 62 VAL CG2 C 13 20.213 0.400 A 62 VAL N N 15 129.219 0.400 A 63 GLY H H 1 6.327 0.020 A 63 GLY HAy H 1 4.503 0.020 A 63 GLY HAx H 1 2.870 0.020 A 63 GLY C C 13 172.156 0.400 A 63 GLY CA C 13 43.551 0.400 A 63 GLY N N 15 102.548 0.400 A 64 GLY H H 1 9.095 0.020 A 64 GLY HAy H 1 4.863 0.020 A 64 GLY HAx H 1 3.821 0.020 A 64 GLY C C 13 172.509 0.400 A 64 GLY CA C 13 43.870 0.400 A 64 GLY N N 15 110.080 0.400 A 65 CYS H H 1 8.398 0.020 A 65 CYS HA H 1 3.846 0.020 A 65 CYS HBy H 1 3.264 0.020 A 65 CYS HBx H 1 2.693 0.020 A 65 CYS C C 13 173.741 0.400 A 65 CYS CA C 13 62.944 0.400 A 65 CYS CB C 13 45.022 0.400 A 65 CYS N N 15 118.292 0.400 A 66 ASP H H 1 9.110 0.020 A 66 ASP HA H 1 5.745 0.020 A 66 ASP HBy H 1 3.115 0.020 A 66 ASP HBx H 1 3.020 0.020 A 66 ASP C C 13 178.777 0.400 A 66 ASP CA C 13 57.437 0.400 A 66 ASP CB C 13 40.016 0.400 A 66 ASP N N 15 123.178 0.400 A 67 ASP H H 1 7.301 0.020 A 67 ASP HA H 1 4.362 0.020 A 67 ASP HBx H 1 2.617 0.020 A 67 ASP HBy H 1 2.617 0.020 A 67 ASP C C 13 177.474 0.400 A 67 ASP CA C 13 57.381 0.400 A 67 ASP CB C 13 41.503 0.400 A 67 ASP N N 15 119.848 0.400 A 68 LEU H H 1 7.805 0.020 A 68 LEU HA H 1 3.822 0.020 A 68 LEU HBy H 1 2.266 0.020 A 68 LEU HBx H 1 1.434 0.020 A 68 LEU HDx% H 1 0.834 0.020 A 68 LEU HDy% H 1 0.561 0.020 A 68 LEU HG H 1 1.340 0.020 A 68 LEU C C 13 177.509 0.400 A 68 LEU CA C 13 58.446 0.400 A 68 LEU CB C 13 42.524 0.400 A 68 LEU CD2 C 13 23.008 0.400 A 68 LEU N N 15 121.720 0.400 A 69 TYR H H 1 8.229 0.020 A 69 TYR HA H 1 3.772 0.020 A 69 TYR HBy H 1 2.989 0.020 A 69 TYR HBx H 1 2.942 0.020 A 69 TYR HD1 H 1 7.424 0.020 A 69 TYR HD2 H 1 7.424 0.020 A 69 TYR HE1 H 1 6.629 0.020 A 69 TYR HE2 H 1 6.629 0.020 A 69 TYR C C 13 177.721 0.400 A 69 TYR CA C 13 62.867 0.400 A 69 TYR CB C 13 38.215 0.400 A 69 TYR N N 15 116.501 0.400 A 70 ALA H H 1 8.275 0.020 A 70 ALA HA H 1 4.286 0.020 A 70 ALA HB% H 1 1.538 0.020 A 70 ALA C C 13 180.045 0.400 A 70 ALA CA C 13 55.701 0.400 A 70 ALA CB C 13 17.944 0.400 A 70 ALA N N 15 122.883 0.400 A 71 LEU H H 1 7.558 0.020 A 71 LEU HA H 1 3.975 0.020 A 71 LEU HBy H 1 2.130 0.020 A 71 LEU HBx H 1 1.038 0.020 A 71 LEU HDx% H 1 0.926 0.020 A 71 LEU HDy% H 1 0.817 0.020 A 71 LEU HG H 1 1.941 0.020 A 71 LEU C C 13 179.024 0.400 A 71 LEU CA C 13 57.994 0.400 A 71 LEU CB C 13 42.836 0.400 A 71 LEU N N 15 117.133 0.400 A 72 GLU H H 1 7.587 0.020 A 72 GLU HA H 1 4.473 0.020 A 72 GLU HBx H 1 1.874 0.020 A 72 GLU HBy H 1 1.890 0.020 A 72 GLU HGy H 1 2.256 0.020 A 72 GLU HGx H 1 2.114 0.020 A 72 GLU C C 13 179.270 0.400 A 72 GLU CA C 13 58.296 0.400 A 72 GLU CB C 13 28.457 0.400 A 72 GLU N N 15 121.576 0.400 A 73 ASN H H 1 8.863 0.020 A 73 ASN HA H 1 4.511 0.020 A 73 ASN HBy H 1 2.952 0.020 A 73 ASN HBx H 1 2.950 0.020 A 73 ASN HD2y H 1 7.680 0.020 A 73 ASN HD2x H 1 7.010 0.020 A 73 ASN C C 13 176.664 0.400 A 73 ASN CA C 13 55.944 0.400 A 73 ASN CB C 13 38.660 0.400 A 73 ASN CG C 13 177.439 0.400 A 73 ASN N N 15 120.232 0.400 A 73 ASN ND2 N 15 112.075 0.400 A 74 LYS H H 1 7.617 0.020 A 74 LYS HA H 1 4.426 0.020 A 74 LYS HBx H 1 2.054 0.020 A 74 LYS HBy H 1 2.054 0.020 A 74 LYS HDx H 1 1.782 0.020 A 74 LYS HDy H 1 1.782 0.020 A 74 LYS HEx H 1 2.966 0.020 A 74 LYS HEy H 1 2.966 0.020 A 74 LYS HGx H 1 1.612 0.020 A 74 LYS HGy H 1 1.612 0.020 A 74 LYS C C 13 176.312 0.400 A 74 LYS CA C 13 55.863 0.400 A 74 LYS CB C 13 33.482 0.400 A 74 LYS N N 15 115.597 0.400 A 75 GLY H H 1 8.023 0.020 A 75 GLY HAx H 1 4.060 0.020 A 75 GLY HAy H 1 4.060 0.020 A 75 GLY C C 13 175.009 0.400 A 75 GLY CA C 13 46.234 0.400 A 75 GLY N N 15 109.073 0.400 A 76 LYS H H 1 8.091 0.020 A 76 LYS HA H 1 4.422 0.020 A 76 LYS HBy H 1 1.961 0.020 A 76 LYS HBx H 1 1.953 0.020 A 76 LYS HDx H 1 1.609 0.020 A 76 LYS HDy H 1 1.609 0.020 A 76 LYS HEx H 1 2.956 0.020 A 76 LYS HEy H 1 2.956 0.020 A 76 LYS HGy H 1 1.428 0.020 A 76 LYS HGx H 1 1.344 0.020 A 76 LYS C C 13 173.037 0.400 A 76 LYS CA C 13 55.679 0.400 A 76 LYS CB C 13 35.038 0.400 A 76 LYS N N 15 116.888 0.400 A 77 LEU H H 1 7.411 0.020 A 77 LEU HA H 1 4.003 0.020 A 77 LEU HBy H 1 2.107 0.020 A 77 LEU HBx H 1 1.041 0.020 A 77 LEU HDx% H 1 0.818 0.020 A 77 LEU HDy% H 1 0.786 0.020 A 77 LEU HG H 1 1.460 0.020 A 77 LEU C C 13 177.333 0.400 A 77 LEU CA C 13 57.512 0.400 A 77 LEU CB C 13 40.676 0.400 A 77 LEU N N 15 122.079 0.400 A 78 ASP H H 1 8.613 0.020 A 78 ASP HA H 1 4.232 0.020 A 78 ASP HBy H 1 2.561 0.020 A 78 ASP HBx H 1 2.548 0.020 A 78 ASP C C 13 178.354 0.400 A 78 ASP CA C 13 58.438 0.400 A 78 ASP CB C 13 39.890 0.400 A 78 ASP N N 15 118.813 0.400 A 79 SER H H 1 7.886 0.020 A 79 SER HA H 1 4.164 0.020 A 79 SER HBy H 1 3.870 0.020 A 79 SER HBx H 1 3.868 0.020 A 79 SER C C 13 176.171 0.400 A 79 SER CA C 13 61.285 0.400 A 79 SER CB C 13 62.632 0.400 A 79 SER N N 15 113.338 0.400 A 80 LEU H H 1 7.354 0.020 A 80 LEU HA H 1 4.152 0.020 A 80 LEU HBy H 1 1.878 0.020 A 80 LEU HBx H 1 1.375 0.020 A 80 LEU HDx% H 1 0.630 0.020 A 80 LEU HDy% H 1 0.544 0.020 A 80 LEU HG H 1 1.646 0.020 A 80 LEU C C 13 173.671 0.400 A 80 LEU CA C 13 56.841 0.400 A 80 LEU CB C 13 42.682 0.400 A 80 LEU CD1 C 13 26.339 0.400 A 80 LEU CD2 C 13 23.168 0.400 A 80 LEU N N 15 121.453 0.400 A 81 LEU H H 1 7.655 0.020 A 81 LEU HA H 1 4.113 0.020 A 81 LEU HBy H 1 1.916 0.020 A 81 LEU HBx H 1 1.555 0.020 A 81 LEU HDx% H 1 0.777 0.020 A 81 LEU HDy% H 1 0.804 0.020 A 81 LEU HG H 1 1.868 0.020 A 81 LEU C C 13 177.333 0.400 A 81 LEU CA C 13 55.748 0.400 A 81 LEU CB C 13 41.707 0.400 A 81 LEU CD1 C 13 23.168 0.400 A 81 LEU CD2 C 13 23.313 0.400 A 81 LEU N N 15 115.497 0.400 A 82 GLN H H 1 7.414 0.020 A 82 GLN HA H 1 4.177 0.020 A 82 GLN HBx H 1 2.062 0.020 A 82 GLN HBy H 1 2.065 0.020 A 82 GLN HE2y H 1 7.513 0.020 A 82 GLN HE2x H 1 6.825 0.020 A 82 GLN HGy H 1 2.445 0.020 A 82 GLN HGx H 1 2.429 0.020 A 82 GLN C C 13 175.537 0.400 A 82 GLN CA C 13 56.986 0.400 A 82 GLN CB C 13 29.187 0.400 A 82 GLN CD C 13 179.798 0.400 A 82 GLN CG C 13 34.125 0.400 A 82 GLN N N 15 117.020 0.400 A 82 GLN NE2 N 15 111.940 0.400 A 83 ASP H H 1 8.092 0.020 A 83 ASP HA H 1 4.672 0.020 A 83 ASP HBy H 1 2.814 0.020 A 83 ASP HBx H 1 2.590 0.020 A 83 ASP C C 13 177.263 0.400 A 83 ASP CA C 13 54.394 0.400 A 83 ASP CB C 13 40.722 0.400 A 83 ASP N N 15 119.072 0.400 A 84 VAL H H 1 7.692 0.020 A 84 VAL HA H 1 4.175 0.020 A 84 VAL HB H 1 2.122 0.020 A 84 VAL HGx% H 1 0.923 0.020 A 84 VAL HGy% H 1 0.857 0.020 A 84 VAL C C 13 174.164 0.400 A 84 VAL CA C 13 62.165 0.400 A 84 VAL CB C 13 32.284 0.400 A 84 VAL CG1 C 13 21.312 0.400 A 84 VAL CG2 C 13 20.921 0.400 A 84 VAL N N 15 118.778 0.400 A 85 HIS H H 1 7.981 0.020 A 85 HIS HA H 1 4.469 0.020 A 85 HIS HBy H 1 3.226 0.020 A 85 HIS HBx H 1 3.060 0.020 A 85 HIS CA C 13 57.020 0.400 A 85 HIS CB C 13 30.338 0.400 A 85 HIS N N 15 127.939 0.400 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 64 GLY H A 67 ASP HBx 1.0 . 3.30 2 1 A 64 GLY H A 67 ASP HBy 1.0 . 3.30 3 2 A 64 GLY H A 63 GLY H 1.0 . 4.70 4 3 A 64 GLY H A 67 ASP H 1.0 . 4.64 5 4 A 2 LYS H A 2 LYS HDx 1.0 . 5.37 6 5 A 2 LYS H A 2 LYS HDy 1.0 . 5.37 7 6 A 3 GLU H A 58 GLY HAx 1.0 . 4.48 8 7 A 3 GLU H A 3 GLU HGx 1.0 . 4.30 9 8 A 3 GLU H A 3 GLU HGy 1.0 . 4.30 10 9 A 3 GLU H A 3 GLU HBx 1.0 . 3.92 11 9 A 3 GLU H A 3 GLU HBy 1.0 . 3.92 12 10 A 3 GLU HA A 4 ILE H 1.0 . 2.80 13 11 A 4 ILE H A 4 ILE HD1% 1.0 . 4.38 14 12 A 4 ILE H A 4 ILE HG2% 1.0 . 3.51 15 13 A 4 ILE H A 4 ILE HB 1.0 . 3.32 16 14 A 4 ILE H A 3 GLU HBx 1.0 . 4.07 17 14 A 3 GLU HBy A 4 ILE H 1.0 . 4.07 18 15 A 5 ILE H A 56 PHE H 1.0 . 4.22 19 16 A 5 ILE H A 6 LEU H 1.0 . 4.73 20 17 A 5 ILE H A 4 ILE HA 1.0 . 2.84 21 18 A 5 ILE H A 57 ILE HA 1.0 . 4.05 22 19 A 5 ILE H A 56 PHE HBx 1.0 . 4.71 23 20 A 5 ILE H A 56 PHE HBy 1.0 . 4.67 24 21 A 4 ILE HB A 5 ILE H 1.0 . 4.60 25 22 A 5 ILE H A 5 ILE HB 1.0 . 3.46 26 23 A 5 ILE H A 5 ILE HG1y 1.0 . 4.07 27 24 A 5 ILE H A 5 ILE HD1% 1.0 . 4.31 28 25 A 5 ILE H A 5 ILE HG2% 1.0 . 4.51 29 26 A 5 ILE H A 55 ILE HG2% 1.0 . 4.94 30 27 A 4 ILE HD1% A 5 ILE H 1.0 . 3.36 31 28 A 4 ILE HG2% A 5 ILE H 1.0 . 4.19 32 29 A 5 ILE H A 5 ILE HG1x 1.0 . 4.40 33 30 A 6 LEU H A 55 ILE HG2% 1.0 . 5.24 34 31 A 6 LEU H A 6 LEU HG 1.0 . 3.57 35 32 A 6 LEU H A 5 ILE HB 1.0 . 4.66 36 33 A 6 LEU H A 30 THR HB 1.0 . 4.36 37 34 A 6 LEU H A 5 ILE HA 1.0 . 2.81 38 35 A 6 LEU H A 7 TYR H 1.0 . 4.68 39 36 A 8 THR H A 8 THR HG2% 1.0 . 3.96 40 37 A 8 THR H A 32 ILE HB 1.0 . 4.62 41 38 A 8 THR H A 33 ASP HA 1.0 . 4.77 42 39 A 8 THR H A 34 ALA HA 1.0 . 5.18 43 40 A 8 THR H A 34 ALA H 1.0 . 4.71 44 41 A 7 TYR H A 8 THR H 1.0 . 4.67 45 42 A 8 THR HB A 9 ARG H 1.0 . 3.72 46 43 A 9 ARG H A 9 ARG HDx 1.0 . 4.13 47 43 A 9 ARG H A 9 ARG HDy 1.0 . 4.13 48 44 A 9 ARG H A 9 ARG HGx 1.0 . 4.05 49 44 A 9 ARG H A 9 ARG HGy 1.0 . 4.05 50 45 A 8 THR HG2% A 9 ARG H 1.0 . 3.96 51 46 A 9 ARG H A 9 ARG HBx 1.0 . 4.13 52 46 A 9 ARG H A 9 ARG HBy 1.0 . 4.13 53 47 A 12 CYS H A 9 ARG HGx 1.0 . 5.21 54 47 A 9 ARG HGy A 12 CYS H 1.0 . 5.21 55 48 A 12 CYS H A 9 ARG HBx 1.0 . 5.50 56 48 A 9 ARG HBy A 12 CYS H 1.0 . 5.50 57 49 A 12 CYS H A 12 CYS HBx 1.0 . 3.73 58 50 A 12 CYS H A 12 CYS HBy 1.0 . 3.73 59 51 A 12 CYS H A 10 PRO HDx 1.0 . 5.50 60 51 A 12 CYS H A 10 PRO HDy 1.0 . 5.50 61 52 A 12 CYS H A 11 ASN HA 1.0 . 3.50 62 53 A 14 TYR H A 14 TYR HD% 1.0 . 3.95 63 54 A 14 TYR H A 16 LYS H 1.0 . 4.64 64 55 A 14 TYR H A 14 TYR HBy 1.0 . 4.13 65 56 A 14 TYR H A 14 TYR HBx 1.0 . 4.13 66 57 A 14 TYR H A 16 LYS HDx 1.0 . 5.47 67 57 A 14 TYR H A 16 LYS HDy 1.0 . 5.47 68 58 A 14 TYR H A 15 CYS H 1.0 . 3.29 69 59 A 15 CYS H A 17 ARG H 1.0 . 4.82 70 60 A 12 CYS H A 15 CYS H 1.0 . 5.50 71 61 A 14 TYR HD% A 15 CYS H 1.0 . 5.50 72 62 A 15 CYS H A 12 CYS HBx 1.0 . 4.81 73 63 A 15 CYS H A 12 CYS HBy 1.0 . 4.81 74 64 A 16 LYS H A 15 CYS H 1.0 . 3.76 75 65 A 16 LYS H A 14 TYR HA 1.0 . 3.91 76 66 A 16 LYS H A 16 LYS HGy 1.0 . 5.07 77 67 A 16 LYS H A 16 LYS HGx 1.0 . 5.07 78 68 A 16 LYS H A 17 ARG H 1.0 . 3.42 79 69 A 17 ARG H A 14 TYR HA 1.0 . 4.22 80 70 A 17 ARG H A 17 ARG HGx 1.0 . 4.20 81 71 A 17 ARG H A 17 ARG HGy 1.0 . 4.20 82 72 A 17 ARG H A 17 ARG HBy 1.0 . 2.88 83 73 A 18 ALA H A 18 ALA HB% 1.0 . 2.87 84 74 A 18 ALA H A 17 ARG HBx 1.0 . 4.48 85 75 A 17 ARG HBy A 18 ALA H 1.0 . 3.38 86 76 A 18 ALA H A 16 LYS HA 1.0 . 4.81 87 77 A 17 ARG H A 18 ALA H 1.0 . 3.23 88 78 A 18 ALA H A 19 ARG H 1.0 . 3.36 89 79 A 16 LYS HA A 19 ARG H 1.0 . 4.01 90 80 A 19 ARG H A 19 ARG HGy 1.0 . 3.86 91 81 A 18 ALA HB% A 19 ARG H 1.0 . 3.24 92 82 A 19 ARG H A 19 ARG HGx 1.0 . 3.86 93 83 A 18 ALA HB% A 20 ASP H 1.0 . 4.31 94 84 A 20 ASP H A 19 ARG HBx 1.0 . 4.72 95 85 A 20 ASP H A 19 ARG HBy 1.0 . 4.72 96 86 A 20 ASP H A 20 ASP HBx 1.0 . 3.19 97 86 A 20 ASP H A 20 ASP HBy 1.0 . 3.19 98 87 A 16 LYS HA A 20 ASP H 1.0 . 4.55 99 88 A 20 ASP H A 17 ARG HA 1.0 . 4.20 100 89 A 20 ASP H A 18 ALA HA 1.0 . 4.70 101 90 A 20 ASP H A 21 LEU H 1.0 . 3.54 102 91 A 19 ARG H A 20 ASP H 1.0 . 3.38 103 92 A 18 ALA H A 20 ASP H 1.0 . 4.79 104 93 A 21 LEU H A 69 TYR HE% 1.0 . 4.72 105 94 A 21 LEU H A 22 LEU H 1.0 . 3.25 106 95 A 21 LEU H A 69 TYR HD% 1.0 . 5.50 107 96 A 19 ARG H A 21 LEU H 1.0 . 4.63 108 97 A 21 LEU H A 24 LYS H 1.0 . 4.73 109 98 A 21 LEU H A 21 LEU HBx 1.0 . 3.13 110 99 A 21 LEU H A 21 LEU HBy 1.0 . 3.13 111 100 A 21 LEU H A 22 LEU HBy 1.0 . 5.50 112 101 A 21 LEU H A 21 LEU HDx% 1.0 . 4.48 113 102 A 21 LEU H A 68 LEU HDx% 1.0 . 5.27 114 103 A 21 LEU H A 22 LEU HDx% 1.0 . 5.50 115 104 A 21 LEU H A 21 LEU HDy% 1.0 . 4.48 116 105 A 22 LEU H A 19 ARG HA 1.0 . 4.15 117 106 A 22 LEU H A 22 LEU HBx 1.0 . 3.77 118 107 A 22 LEU H A 22 LEU HBy 1.0 . 3.01 119 108 A 22 LEU H A 21 LEU HDx% 1.0 . 4.94 120 109 A 22 LEU H A 22 LEU HDy% 1.0 . 3.74 121 110 A 22 LEU H A 22 LEU HDx% 1.0 . 3.74 122 111 A 22 LEU H A 21 LEU HDy% 1.0 . 4.94 123 112 A 24 LYS H A 23 ASP H 1.0 . 3.39 124 113 A 22 LEU H A 23 ASP H 1.0 . 3.42 125 114 A 23 ASP H A 29 TYR HE% 1.0 . 4.48 126 115 A 21 LEU H A 23 ASP H 1.0 . 4.85 127 116 A 23 ASP H A 29 TYR HD% 1.0 . 5.14 128 117 A 23 ASP H A 20 ASP HA 1.0 . 4.13 129 118 A 19 ARG HA A 23 ASP H 1.0 . 4.72 130 119 A 23 ASP H A 23 ASP HBx 1.0 . 3.26 131 119 A 23 ASP H A 23 ASP HBy 1.0 . 3.26 132 120 A 23 ASP H A 24 LYS HBx 1.0 . 4.83 133 120 A 23 ASP H A 24 LYS HBy 1.0 . 4.83 134 121 A 22 LEU HBy A 23 ASP H 1.0 . 3.57 135 122 A 22 LEU HBx A 23 ASP H 1.0 . 3.96 136 123 A 24 LYS H A 24 LYS HGx 1.0 . 4.60 137 123 A 24 LYS H A 24 LYS HGy 1.0 . 4.60 138 124 A 24 LYS H A 24 LYS HDx 1.0 . 4.51 139 124 A 24 LYS H A 24 LYS HDy 1.0 . 4.51 140 125 A 24 LYS H A 24 LYS HBx 1.0 . 2.77 141 125 A 24 LYS H A 24 LYS HBy 1.0 . 2.77 142 126 A 24 LYS H A 23 ASP HBx 1.0 . 3.45 143 126 A 24 LYS H A 23 ASP HBy 1.0 . 3.45 144 127 A 24 LYS H A 20 ASP HA 1.0 . 4.51 145 128 A 24 LYS H A 25 LYS H 1.0 . 3.29 146 129 A 25 LYS H A 27 VAL H 1.0 . 4.49 147 130 A 25 LYS H A 22 LEU HA 1.0 . 4.15 148 131 A 25 LYS H A 24 LYS HBx 1.0 . 3.17 149 131 A 24 LYS HBy A 25 LYS H 1.0 . 3.17 150 132 A 25 LYS H A 25 LYS HDx 1.0 . 4.30 151 133 A 25 LYS H A 25 LYS HDy 1.0 . 4.30 152 134 A 25 LYS H A 25 LYS HGx 1.0 . 3.85 153 134 A 25 LYS H A 25 LYS HGy 1.0 . 3.85 154 135 A 25 LYS H A 27 VAL HGx% 1.0 . 5.50 155 136 A 25 LYS H A 27 VAL HGy% 1.0 . 5.50 156 137 A 25 LYS H A 26 GLY H 1.0 . 3.27 157 138 A 27 VAL H A 26 GLY H 1.0 . 3.20 158 139 A 26 GLY H A 27 VAL HA 1.0 . 5.24 159 140 A 26 GLY H A 25 LYS HBx 1.0 . 4.15 160 141 A 26 GLY H A 27 VAL HGx% 1.0 . 4.93 161 142 A 26 GLY H A 27 VAL HGy% 1.0 . 4.93 162 143 A 27 VAL H A 27 VAL HB 1.0 . 3.85 163 144 A 27 VAL H A 27 VAL HGx% 1.0 . 3.45 164 145 A 27 VAL H A 27 VAL HGy% 1.0 . 3.45 165 146 A 27 VAL H A 28 LYS H 1.0 . 4.93 166 147 A 4 ILE H A 28 LYS H 1.0 . 5.50 167 148 A 27 VAL HA A 28 LYS H 1.0 . 2.76 168 149 A 28 LYS H A 28 LYS HEx 1.0 . 5.50 169 149 A 28 LYS H A 28 LYS HEy 1.0 . 5.50 170 150 A 28 LYS H A 28 LYS HBx 1.0 . 3.05 171 150 A 28 LYS H A 28 LYS HBy 1.0 . 3.05 172 151 A 28 LYS H A 28 LYS HDx 1.0 . 4.60 173 151 A 28 LYS H A 28 LYS HDy 1.0 . 4.60 174 152 A 28 LYS H A 28 LYS HGx 1.0 . 4.04 175 152 A 28 LYS H A 28 LYS HGy 1.0 . 4.04 176 153 A 28 LYS H A 27 VAL HGy% 1.0 . 4.49 177 154 A 28 LYS H A 29 TYR H 1.0 . 4.41 178 155 A 29 TYR H A 28 LYS HA 1.0 . 2.65 179 156 A 29 TYR H A 28 LYS HBx 1.0 . 4.02 180 156 A 28 LYS HBy A 29 TYR H 1.0 . 4.02 181 157 A 81 LEU HBx A 82 GLN H 1.0 . 4.12 182 158 A 29 TYR H A 28 LYS HGx 1.0 . 4.26 183 158 A 28 LYS HGy A 29 TYR H 1.0 . 4.26 184 159 A 4 ILE HG2% A 29 TYR H 1.0 . 4.98 185 160 A 6 LEU H A 30 THR H 1.0 . 4.51 186 161 A 29 TYR H A 30 THR H 1.0 . 5.46 187 162 A 29 TYR HD% A 30 THR H 1.0 . 4.38 188 163 A 30 THR H A 29 TYR HA 1.0 . 2.97 189 164 A 5 ILE HA A 30 THR H 1.0 . 3.65 190 165 A 30 THR HB A 30 THR H 1.0 . 3.25 191 166 A 30 THR H A 29 TYR HBy 1.0 . 3.36 192 167 A 30 THR H A 29 TYR HBx 1.0 . 4.24 193 168 A 30 THR H A 30 THR HG2% 1.0 . 4.18 194 169 A 4 ILE HD1% A 30 THR H 1.0 . 4.22 195 170 A 30 THR H A 31 ASP H 1.0 . 4.59 196 171 A 29 TYR HD% A 31 ASP H 1.0 . 4.38 197 172 A 31 ASP H A 30 THR HA 1.0 . 2.80 198 173 A 31 ASP H A 31 ASP HBy 1.0 . 3.78 199 174 A 31 ASP H A 31 ASP HBx 1.0 . 3.78 200 175 A 30 THR HG2% A 31 ASP H 1.0 . 3.41 201 176 A 6 LEU H A 32 ILE H 1.0 . 4.39 202 177 A 31 ASP H A 32 ILE H 1.0 . 4.90 203 178 A 32 ILE H A 31 ASP HA 1.0 . 2.96 204 179 A 32 ILE HB A 32 ILE H 1.0 . 3.53 205 180 A 30 THR HG2% A 32 ILE H 1.0 . 4.74 206 181 A 32 ILE H A 32 ILE HG2% 1.0 . 3.91 207 182 A 32 ILE H A 32 ILE HD1% 1.0 . 4.74 208 183 A 33 ASP H A 35 SER H 1.0 . 5.17 209 184 A 32 ILE H A 33 ASP H 1.0 . 5.06 210 185 A 33 ASP H A 32 ILE HA 1.0 . 2.80 211 186 A 33 ASP H A 33 ASP HBx 1.0 . 3.66 212 187 A 33 ASP H A 33 ASP HBy 1.0 . 3.66 213 188 A 33 ASP H A 32 ILE HG1y 1.0 . 5.50 214 189 A 33 ASP H A 32 ILE HG1x 1.0 . 5.50 215 190 A 32 ILE HG2% A 33 ASP H 1.0 . 3.38 216 191 A 34 ALA H A 39 ARG HBy 1.0 . 5.50 217 192 A 35 SER H A 36 THR HG2% 1.0 . 5.50 218 193 A 35 SER H A 39 ARG HBy 1.0 . 4.56 219 194 A 35 SER H A 39 ARG HBx 1.0 . 5.50 220 195 A 35 SER H A 35 SER HBx 1.0 . 3.94 221 196 A 35 SER H A 35 SER HBy 1.0 . 3.94 222 197 A 34 ALA HA A 35 SER H 1.0 . 3.52 223 198 A 34 ALA H A 35 SER H 1.0 . 3.75 224 199 A 35 SER H A 36 THR H 1.0 . 4.45 225 200 A 36 THR HG2% A 36 THR H 1.0 . 3.96 226 201 A 38 LEU H A 39 ARG H 1.0 . 3.91 227 202 A 38 LEU H A 38 LEU HG 1.0 . 4.83 228 203 A 39 ARG HBy A 38 LEU H 1.0 . 5.50 229 204 A 38 LEU H A 38 LEU HBx 1.0 . 3.54 230 204 A 38 LEU H A 38 LEU HBy 1.0 . 3.54 231 205 A 38 LEU H A 38 LEU HDx% 1.0 . 4.44 232 205 A 38 LEU H A 38 LEU HDy% 1.0 . 4.44 233 206 A 32 ILE HG2% A 39 ARG H 1.0 . 4.91 234 207 A 39 ARG HBy A 39 ARG H 1.0 . 3.86 235 208 A 39 ARG HBx A 39 ARG H 1.0 . 3.44 236 209 A 39 ARG H A 39 ARG HDx 1.0 . 4.92 237 209 A 39 ARG H A 39 ARG HDy 1.0 . 4.92 238 210 A 39 ARG H A 38 LEU HA 1.0 . 3.51 239 211 A 39 ARG HBy A 40 GLN H 1.0 . 4.60 240 212 A 39 ARG HBx A 40 GLN H 1.0 . 3.65 241 213 A 40 GLN H A 40 GLN HBy 1.0 . 3.53 242 214 A 40 GLN H A 40 GLN HBx 1.0 . 3.53 243 215 A 40 GLN H A 41 GLU HGx 1.0 . 3.99 244 215 A 40 GLN H A 41 GLU HGy 1.0 . 3.99 245 216 A 40 GLN H A 40 GLN HGy 1.0 . 5.25 246 217 A 40 GLN H A 40 GLN HGx 1.0 . 5.25 247 218 A 39 ARG H A 40 GLN H 1.0 . 3.81 248 219 A 40 GLN H A 41 GLU H 1.0 . 4.01 249 220 A 41 GLU H A 42 MET H 1.0 . 3.48 250 221 A 42 MET H A 43 VAL H 1.0 . 3.60 251 222 A 42 MET H A 7 TYR HE% 1.0 . 4.92 252 223 A 42 MET H A 39 ARG HA 1.0 . 4.50 253 224 A 42 MET H A 38 LEU HBx 1.0 . 5.12 254 224 A 38 LEU HBy A 42 MET H 1.0 . 5.12 255 225 A 42 MET H A 43 VAL HB 1.0 . 5.50 256 226 A 42 MET H A 41 GLU HGx 1.0 . 3.54 257 226 A 41 GLU HGy A 42 MET H 1.0 . 3.54 258 227 A 42 MET H A 42 MET HBx 1.0 . 4.01 259 227 A 42 MET H A 42 MET HBy 1.0 . 4.01 260 228 A 32 ILE HG2% A 42 MET H 1.0 . 5.28 261 229 A 40 GLN H A 43 VAL H 1.0 . 4.82 262 230 A 50 ASN H A 49 ARG HGx 1.0 . 4.78 263 230 A 49 ARG HGy A 50 ASN H 1.0 . 4.78 264 231 A 43 VAL H A 43 VAL HGx% 1.0 . 3.90 265 232 A 43 VAL H A 43 VAL HGy% 1.0 . 3.90 266 233 A 44 GLN H A 43 VAL HGy% 1.0 . 4.11 267 234 A 44 GLN H A 43 VAL HGx% 1.0 . 4.11 268 235 A 44 GLN H A 46 ALA HB% 1.0 . 4.67 269 236 A 44 GLN H A 44 GLN HBx 1.0 . 2.91 270 236 A 44 GLN H A 44 GLN HBy 1.0 . 2.91 271 237 A 44 GLN H A 44 GLN HGx 1.0 . 4.31 272 238 A 44 GLN H A 44 GLN HGy 1.0 . 4.31 273 239 A 44 GLN H A 45 ARG H 1.0 . 3.37 274 240 A 45 ARG H A 46 ALA H 1.0 . 3.39 275 241 A 45 ARG H A 44 GLN HBx 1.0 . 3.47 276 241 A 44 GLN HBy A 45 ARG H 1.0 . 3.47 277 242 A 45 ARG H A 45 ARG HBy 1.0 . 3.73 278 243 A 45 ARG H A 45 ARG HBx 1.0 . 3.73 279 244 A 46 ALA HB% A 45 ARG H 1.0 . 4.23 280 245 A 46 ALA HB% A 46 ALA H 1.0 . 3.06 281 246 A 46 ALA H A 43 VAL HA 1.0 . 3.61 282 247 A 46 ALA H A 56 PHE HZ 1.0 . 5.50 283 248 A 44 GLN H A 46 ALA H 1.0 . 4.45 284 249 A 43 VAL HA A 47 ASN H 1.0 . 4.32 285 250 A 46 ALA H A 47 ASN H 1.0 . 3.87 286 251 A 47 ASN H A 48 GLY H 1.0 . 3.87 287 252 A 48 GLY H A 49 ARG H 1.0 . 3.89 288 253 A 49 ARG H A 49 ARG HGx 1.0 . 4.25 289 253 A 49 ARG HGy A 49 ARG H 1.0 . 4.25 290 254 A 49 ARG H A 49 ARG HBx 1.0 . 3.49 291 254 A 49 ARG H A 49 ARG HBy 1.0 . 3.49 292 255 A 50 ASN H A 49 ARG HA 1.0 . 3.20 293 256 A 50 ASN H A 49 ARG HBx 1.0 . 4.13 294 256 A 50 ASN H A 49 ARG HBy 1.0 . 4.13 295 257 A 51 THR H A 51 THR HG2% 1.0 . 4.09 296 258 A 50 ASN H A 51 THR H 1.0 . 4.60 297 259 A 51 THR HA A 52 PHE H 1.0 . 3.03 298 260 A 51 THR HG2% A 52 PHE H 1.0 . 4.08 299 261 A 51 THR H A 52 PHE H 1.0 . 5.11 300 262 A 52 PHE H A 52 PHE HD% 1.0 . 3.48 301 263 A 7 TYR H A 54 GLN H 1.0 . 4.57 302 264 A 54 GLN H A 8 THR HA 1.0 . 5.22 303 265 A 54 GLN H A 7 TYR HBx 1.0 . 3.81 304 266 A 54 GLN H A 54 GLN HGx 1.0 . 4.79 305 266 A 54 GLN H A 54 GLN HGy 1.0 . 4.79 306 267 A 8 THR HG2% A 54 GLN H 1.0 . 5.23 307 268 A 54 GLN H A 55 ILE H 1.0 . 4.99 308 269 A 55 ILE H A 62 VAL H 1.0 . 5.27 309 270 A 7 TYR H A 55 ILE H 1.0 . 5.30 310 271 A 64 GLY H A 55 ILE H 1.0 . 5.50 311 272 A 63 GLY H A 55 ILE H 1.0 . 4.16 312 273 A 55 ILE H A 54 GLN HA 1.0 . 3.00 313 274 A 55 ILE H A 54 GLN HGx 1.0 . 4.77 314 274 A 54 GLN HGy A 55 ILE H 1.0 . 4.77 315 275 A 55 ILE H A 55 ILE HB 1.0 . 3.32 316 276 A 55 ILE H A 62 VAL HB 1.0 . 3.96 317 277 A 55 ILE H A 55 ILE HD1% 1.0 . 3.75 318 278 A 56 PHE H A 7 TYR H 1.0 . 4.78 319 279 A 56 PHE H A 7 TYR HE% 1.0 . 4.63 320 280 A 56 PHE H A 56 PHE HD% 1.0 . 4.94 321 281 A 56 PHE H A 55 ILE HA 1.0 . 2.95 322 282 A 56 PHE H A 56 PHE HBx 1.0 . 4.19 323 283 A 56 PHE H A 56 PHE HBy 1.0 . 3.83 324 284 A 56 PHE H A 5 ILE HB 1.0 . 4.71 325 285 A 56 PHE H A 62 VAL HB 1.0 . 5.50 326 286 A 56 PHE H A 55 ILE HG2% 1.0 . 3.50 327 287 A 4 ILE HD1% A 56 PHE H 1.0 . 4.13 328 288 A 62 VAL H A 57 ILE H 1.0 . 4.72 329 289 A 56 PHE H A 57 ILE H 1.0 . 5.05 330 290 A 57 ILE H A 59 ASP H 1.0 . 5.43 331 291 A 57 ILE H A 60 TYR HD% 1.0 . 5.04 332 292 A 56 PHE HD% A 57 ILE H 1.0 . 4.70 333 293 A 57 ILE H A 56 PHE HA 1.0 . 2.95 334 294 A 57 ILE H A 61 HIS HA 1.0 . 4.65 335 295 A 56 PHE HBy A 57 ILE H 1.0 . 4.44 336 296 A 56 PHE HBx A 57 ILE H 1.0 . 3.96 337 297 A 57 ILE H A 60 TYR HBx 1.0 . 4.29 338 298 A 57 ILE H A 57 ILE HG1y 1.0 . 4.18 339 299 A 57 ILE H A 57 ILE HB 1.0 . 4.07 340 300 A 57 ILE H A 57 ILE HG1x 1.0 . 4.18 341 301 A 57 ILE H A 57 ILE HG2% 1.0 . 4.00 342 302 A 57 ILE H A 57 ILE HD1% 1.0 . 4.28 343 303 A 57 ILE HG2% A 58 GLY H 1.0 . 4.22 344 304 A 57 ILE HD1% A 58 GLY H 1.0 . 5.50 345 305 A 57 ILE HB A 58 GLY H 1.0 . 5.50 346 306 A 57 ILE HA A 58 GLY H 1.0 . 2.95 347 307 A 4 ILE HA A 58 GLY H 1.0 . 3.89 348 308 A 3 GLU H A 58 GLY H 1.0 . 4.39 349 309 A 58 GLY H A 60 TYR H 1.0 . 5.00 350 310 A 60 TYR H A 59 ASP HA 1.0 . 3.22 351 311 A 60 TYR H A 61 HIS H 1.0 . 4.45 352 312 A 59 ASP H A 60 TYR H 1.0 . 4.51 353 313 A 57 ILE H A 60 TYR H 1.0 . 4.31 354 314 A 60 TYR HD% A 60 TYR H 1.0 . 4.66 355 315 A 60 TYR HBx A 60 TYR H 1.0 . 3.12 356 316 A 60 TYR H A 60 TYR HBy 1.0 . 3.65 357 317 A 61 HIS H A 61 HIS HBx 1.0 . 3.72 358 318 A 61 HIS H A 61 HIS HBy 1.0 . 3.72 359 319 A 60 TYR HBx A 61 HIS H 1.0 . 4.77 360 320 A 61 HIS H A 60 TYR HA 1.0 . 2.95 361 321 A 60 TYR HD% A 61 HIS H 1.0 . 4.47 362 322 A 61 HIS H A 61 HIS HE1 1.0 . 4.97 363 323 A 62 VAL H A 62 VAL HGx% 1.0 . 4.10 364 324 A 62 VAL H A 62 VAL HGy% 1.0 . 3.25 365 325 A 55 ILE HG2% A 62 VAL H 1.0 . 4.43 366 326 A 62 VAL H A 55 ILE HB 1.0 . 4.91 367 327 A 62 VAL H A 62 VAL HB 1.0 . 3.28 368 328 A 62 VAL H A 61 HIS HBx 1.0 . 4.60 369 329 A 62 VAL H A 61 HIS HBy 1.0 . 4.60 370 330 A 62 VAL H A 61 HIS HA 1.0 . 3.13 371 331 A 62 VAL H A 56 PHE HA 1.0 . 3.73 372 332 A 62 VAL H A 56 PHE HD% 1.0 . 5.16 373 333 A 62 VAL H A 60 TYR HD% 1.0 . 4.92 374 334 A 63 GLY H A 62 VAL H 1.0 . 3.43 375 335 A 63 GLY H A 61 HIS HA 1.0 . 4.73 376 336 A 63 GLY H A 62 VAL HGx% 1.0 . 3.77 377 337 A 63 GLY H A 62 VAL HGy% 1.0 . 3.89 378 338 A 63 GLY H A 55 ILE HB 1.0 . 4.07 379 339 A 63 GLY H A 62 VAL HB 1.0 . 3.33 380 340 A 64 GLY H A 62 VAL HGx% 1.0 . 4.91 381 341 A 65 CYS H A 65 CYS HBy 1.0 . 4.03 382 342 A 65 CYS H A 65 CYS HBx 1.0 . 4.03 383 343 A 66 ASP H A 66 ASP HBx 1.0 . 3.96 384 344 A 66 ASP H A 66 ASP HBy 1.0 . 3.96 385 345 A 62 VAL HGx% A 68 LEU H 1.0 . 3.66 386 346 A 68 LEU H A 68 LEU HDy% 1.0 . 4.22 387 347 A 68 LEU HDx% A 68 LEU H 1.0 . 4.15 388 348 A 68 LEU H A 68 LEU HG 1.0 . 3.16 389 349 A 68 LEU H A 68 LEU HBy 1.0 . 3.73 390 350 A 68 LEU H A 68 LEU HBx 1.0 . 3.13 391 351 A 68 LEU H A 67 ASP HBx 1.0 . 3.30 392 351 A 67 ASP HBy A 68 LEU H 1.0 . 3.30 393 352 A 69 TYR HD% A 68 LEU H 1.0 . 5.50 394 353 A 68 LEU H A 71 LEU H 1.0 . 4.99 395 354 A 68 LEU H A 69 TYR H 1.0 . 3.43 396 355 A 69 TYR HD% A 69 TYR H 1.0 . 3.28 397 356 A 69 TYR HE% A 69 TYR H 1.0 . 5.50 398 357 A 69 TYR H A 69 TYR HBy 1.0 . 4.04 399 358 A 69 TYR H A 69 TYR HBx 1.0 . 4.04 400 359 A 68 LEU HBx A 69 TYR H 1.0 . 3.87 401 360 A 68 LEU HG A 69 TYR H 1.0 . 3.89 402 361 A 68 LEU HBy A 69 TYR H 1.0 . 4.28 403 362 A 68 LEU HDx% A 69 TYR H 1.0 . 4.05 404 363 A 70 ALA H A 69 TYR HBy 1.0 . 4.15 405 364 A 70 ALA H A 70 ALA HB% 1.0 . 2.79 406 365 A 71 LEU H A 70 ALA H 1.0 . 3.21 407 366 A 68 LEU H A 70 ALA H 1.0 . 5.13 408 367 A 71 LEU H A 71 LEU HDy% 1.0 . 4.13 409 368 A 71 LEU H A 71 LEU HDx% 1.0 . 4.13 410 369 A 71 LEU H A 71 LEU HBx 1.0 . 3.59 411 370 A 71 LEU H A 70 ALA HB% 1.0 . 3.30 412 371 A 71 LEU H A 71 LEU HG 1.0 . 3.15 413 372 A 71 LEU H A 71 LEU HBy 1.0 . 3.18 414 373 A 71 LEU H A 68 LEU HA 1.0 . 4.07 415 374 A 69 TYR H A 72 GLU H 1.0 . 5.03 416 375 A 72 GLU H A 69 TYR HA 1.0 . 3.81 417 376 A 72 GLU H A 70 ALA HA 1.0 . 5.13 418 377 A 72 GLU H A 73 ASN HBy 1.0 . 5.50 419 378 A 72 GLU H A 73 ASN HBx 1.0 . 5.50 420 379 A 72 GLU H A 72 GLU HBx 1.0 . 3.50 421 380 A 72 GLU H A 72 GLU HBy 1.0 . 3.50 422 381 A 71 LEU HBy A 72 GLU H 1.0 . 3.25 423 382 A 71 LEU HBx A 72 GLU H 1.0 . 3.50 424 383 A 68 LEU HDx% A 72 GLU H 1.0 . 4.92 425 384 A 72 GLU H A 71 LEU HDy% 1.0 . 5.27 426 385 A 72 GLU H A 71 LEU HDx% 1.0 . 5.27 427 386 A 73 ASN H A 75 GLY H 1.0 . 4.44 428 387 A 72 GLU H A 73 ASN H 1.0 . 3.51 429 388 A 70 ALA HA A 73 ASN H 1.0 . 3.85 430 389 A 69 TYR HA A 73 ASN H 1.0 . 4.64 431 390 A 73 ASN H A 71 LEU HA 1.0 . 5.19 432 391 A 73 ASN HBy A 73 ASN H 1.0 . 3.30 433 392 A 73 ASN HBx A 73 ASN H 1.0 . 3.49 434 393 A 73 ASN H A 72 GLU HGx 1.0 . 4.77 435 394 A 73 ASN H A 74 LYS HBx 1.0 . 5.05 436 394 A 73 ASN H A 74 LYS HBy 1.0 . 5.05 437 395 A 73 ASN H A 72 GLU HGy 1.0 . 4.77 438 396 A 73 ASN H A 72 GLU HBx 1.0 . 4.79 439 397 A 73 ASN H A 72 GLU HBy 1.0 . 4.79 440 398 A 73 ASN H A 74 LYS H 1.0 . 3.55 441 399 A 77 LEU HA A 81 LEU H 1.0 . 4.93 442 400 A 73 ASN HBx A 74 LYS H 1.0 . 3.84 443 401 A 74 LYS H A 74 LYS HBx 1.0 . 3.62 444 401 A 74 LYS HBy A 74 LYS H 1.0 . 3.62 445 402 A 74 LYS H A 74 LYS HDx 1.0 . 3.82 446 402 A 74 LYS H A 74 LYS HDy 1.0 . 3.82 447 403 A 75 GLY H A 74 LYS HGx 1.0 . 5.17 448 403 A 75 GLY H A 74 LYS HGy 1.0 . 5.17 449 404 A 75 GLY H A 76 LYS HDx 1.0 . 5.50 450 404 A 75 GLY H A 76 LYS HDy 1.0 . 5.50 451 405 A 75 GLY H A 74 LYS HDx 1.0 . 5.22 452 405 A 75 GLY H A 74 LYS HDy 1.0 . 5.22 453 406 A 75 GLY H A 74 LYS HBx 1.0 . 4.23 454 406 A 75 GLY H A 74 LYS HBy 1.0 . 4.23 455 407 A 73 ASN HBx A 75 GLY H 1.0 . 5.22 456 408 A 75 GLY H A 73 ASN HA 1.0 . 4.13 457 409 A 75 GLY H A 77 LEU H 1.0 . 4.56 458 410 A 75 GLY H A 74 LYS H 1.0 . 3.17 459 411 A 76 LYS H A 78 ASP H 1.0 . 4.97 460 412 A 73 ASN H A 76 LYS H 1.0 . 5.50 461 413 A 74 LYS H A 76 LYS H 1.0 . 4.29 462 414 A 76 LYS H A 72 GLU HA 1.0 . 4.43 463 415 A 71 LEU HA A 76 LYS H 1.0 . 4.15 464 416 A 76 LYS H A 76 LYS HEx 1.0 . 5.50 465 416 A 76 LYS H A 76 LYS HEy 1.0 . 5.50 466 417 A 76 LYS H A 74 LYS HBx 1.0 . 4.81 467 417 A 74 LYS HBy A 76 LYS H 1.0 . 4.81 468 418 A 76 LYS H A 76 LYS HBy 1.0 . 3.71 469 419 A 76 LYS H A 76 LYS HDx 1.0 . 3.62 470 419 A 76 LYS HDy A 76 LYS H 1.0 . 3.62 471 420 A 76 LYS H A 76 LYS HGy 1.0 . 4.69 472 421 A 76 LYS H A 76 LYS HGx 1.0 . 4.69 473 422 A 71 LEU HBx A 76 LYS H 1.0 . 4.63 474 423 A 77 LEU H A 77 LEU HDx% 1.0 . 5.16 475 424 A 77 LEU H A 77 LEU HDy% 1.0 . 5.16 476 425 A 77 LEU H A 77 LEU HBx 1.0 . 3.09 477 426 A 77 LEU H A 77 LEU HG 1.0 . 4.54 478 427 A 77 LEU H A 76 LYS HDx 1.0 . 4.84 479 427 A 76 LYS HDy A 77 LEU H 1.0 . 4.84 480 428 A 77 LEU H A 76 LYS HBy 1.0 . 4.22 481 429 A 77 LEU H A 76 LYS HBx 1.0 . 4.63 482 430 A 77 LEU H A 77 LEU HBy 1.0 . 3.09 483 431 A 74 LYS H A 77 LEU H 1.0 . 5.00 484 432 A 77 LEU H A 79 SER H 1.0 . 4.81 485 433 A 77 LEU H A 76 LYS H 1.0 . 3.08 486 434 A 78 ASP H A 80 LEU HDy% 1.0 . 5.50 487 435 A 78 ASP H A 77 LEU HG 1.0 . 4.13 488 436 A 78 ASP H A 76 LYS HBx 1.0 . 5.50 489 437 A 78 ASP H A 81 LEU HBy 1.0 . 5.50 490 438 A 78 ASP H A 79 SER HBy 1.0 . 5.50 491 439 A 78 ASP H A 79 SER HBx 1.0 . 5.50 492 440 A 78 ASP H A 76 LYS HA 1.0 . 4.58 493 441 A 77 LEU H A 78 ASP H 1.0 . 3.20 494 442 A 79 SER H A 76 LYS HDx 1.0 . 5.24 495 442 A 76 LYS HDy A 79 SER H 1.0 . 5.24 496 443 A 79 SER H A 80 LEU HBy 1.0 . 4.87 497 444 A 79 SER H A 78 ASP HBy 1.0 . 4.33 498 445 A 79 SER H A 78 ASP HBx 1.0 . 4.33 499 446 A 79 SER H A 79 SER HBy 1.0 . 3.78 500 447 A 79 SER H A 79 SER HBx 1.0 . 3.78 501 448 A 79 SER H A 76 LYS HA 1.0 . 4.51 502 449 A 79 SER H A 80 LEU H 1.0 . 3.59 503 450 A 78 ASP H A 79 SER H 1.0 . 3.93 504 451 A 78 ASP H A 80 LEU H 1.0 . 4.56 505 452 A 81 LEU H A 80 LEU H 1.0 . 3.15 506 453 A 80 LEU H A 79 SER HBy 1.0 . 4.40 507 454 A 80 LEU H A 79 SER HBx 1.0 . 4.40 508 455 A 77 LEU HA A 80 LEU H 1.0 . 3.88 509 456 A 80 LEU H A 80 LEU HG 1.0 . 3.96 510 457 A 80 LEU HBy A 80 LEU H 1.0 . 2.99 511 458 A 80 LEU H A 80 LEU HBx 1.0 . 3.68 512 459 A 80 LEU H A 80 LEU HDx% 1.0 . 4.23 513 460 A 80 LEU HDy% A 80 LEU H 1.0 . 3.82 514 461 A 81 LEU H A 79 SER H 1.0 . 4.55 515 462 A 74 LYS H A 74 LYS HGx 1.0 . 3.73 516 462 A 74 LYS H A 74 LYS HGy 1.0 . 3.73 517 463 A 81 LEU HBx A 81 LEU H 1.0 . 4.05 518 464 A 81 LEU H A 81 LEU HBy 1.0 . 2.90 519 465 A 82 GLN H A 81 LEU HBy 1.0 . 3.65 520 466 A 82 GLN H A 82 GLN HGy 1.0 . 4.91 521 467 A 82 GLN H A 82 GLN HGx 1.0 . 4.91 522 468 A 82 GLN H A 81 LEU HDx% 1.0 . 5.25 523 469 A 82 GLN H A 81 LEU HDy% 1.0 . 5.25 524 470 A 82 GLN H A 81 LEU H 1.0 . 3.32 525 471 A 83 ASP H A 83 ASP HBx 1.0 . 3.82 526 472 A 83 ASP H A 80 LEU HA 1.0 . 3.98 527 473 A 82 GLN H A 83 ASP H 1.0 . 3.73 528 474 A 83 ASP H A 84 VAL H 1.0 . 3.69 529 475 A 83 ASP H A 82 GLN HE2y 1.0 . 5.50 530 476 A 84 VAL H A 84 VAL HB 1.0 . 3.66 531 477 A 84 VAL H A 84 VAL HGx% 1.0 . 3.21 532 478 A 84 VAL H A 84 VAL HGy% 1.0 . 3.85 533 479 A 84 VAL H A 85 HIS H 1.0 . 3.71 534 480 A 84 VAL HGy% A 85 HIS H 1.0 . 3.62 535 481 A 84 VAL HB A 85 HIS H 1.0 . 4.19 536 482 A 83 ASP H A 85 HIS H 1.0 . 4.38 537 483 A 67 ASP H A 65 CYS HA 1.0 . 5.50 538 484 A 67 ASP H A 68 LEU HBx 1.0 . 5.24 539 485 A 67 ASP H A 67 ASP HBx 1.0 . 3.15 540 485 A 67 ASP HBy A 67 ASP H 1.0 . 3.15 541 486 A 67 ASP H A 68 LEU H 1.0 . 3.56 542 487 A 67 ASP H A 69 TYR H 1.0 . 4.51 543 488 A 67 ASP H A 66 ASP H 1.0 . 4.71 544 489 A 7 TYR HBy A 54 GLN HE2x 1.0 . 5.15 545 490 A 7 TYR HBy A 54 GLN HE2y 1.0 . 5.15 546 491 A 46 ALA HB% A 47 ASN H 1.0 . 4.25 547 492 A 70 ALA HA A 73 ASN HBx 1.0 . 3.36 548 493 A 2 LYS HA A 2 LYS HEx 1.0 . 4.18 549 493 A 2 LYS HA A 2 LYS HEy 1.0 . 4.18 550 494 A 3 GLU HA A 4 ILE HG2% 1.0 . 4.26 551 495 A 76 LYS HA A 80 LEU H 1.0 . 4.86 552 496 A 4 ILE HD1% A 4 ILE HA 1.0 . 3.74 553 497 A 5 ILE HD1% A 7 TYR HD% 1.0 . 5.22 554 498 A 5 ILE HD1% A 5 ILE HA 1.0 . 3.98 555 499 A 5 ILE HB A 5 ILE HD1% 1.0 . 3.39 556 500 A 7 TYR H A 6 LEU HA 1.0 . 3.33 557 501 A 70 ALA H A 67 ASP HA 1.0 . 3.95 558 502 A 32 ILE HB A 7 TYR HA 1.0 . 3.82 559 503 A 10 PRO HA A 11 ASN H 1.0 . 3.57 560 504 A 14 TYR HA A 17 ARG HBy 1.0 . 5.00 561 505 A 14 TYR HD% A 14 TYR HA 1.0 . 4.03 562 506 A 16 LYS HA A 16 LYS HDx 1.0 . 4.47 563 506 A 16 LYS HDy A 16 LYS HA 1.0 . 4.47 564 507 A 32 ILE HG2% A 32 ILE HD1% 1.0 . 2.90 565 508 A 32 ILE HB A 32 ILE HD1% 1.0 . 3.56 566 509 A 55 ILE HG2% A 18 ALA HB% 1.0 . 3.75 567 510 A 18 ALA HB% A 55 ILE HD1% 1.0 . 4.15 568 511 A 18 ALA HB% A 68 LEU HDx% 1.0 . 4.44 569 512 A 46 ALA HB% A 56 PHE HD% 1.0 . 3.91 570 513 A 70 ALA HB% A 73 ASN HBx 1.0 . 4.93 571 514 A 43 VAL H A 46 ALA HB% 1.0 . 4.49 572 515 A 34 ALA HB% A 35 SER HA 1.0 . 4.31 573 516 A 30 THR HG2% A 30 THR HA 1.0 . 3.06 574 517 A 6 LEU H A 30 THR HG2% 1.0 . 4.22 575 518 A 4 ILE HG2% A 84 VAL HA 1.0 . 4.17 576 519 A 4 ILE H A 5 ILE HG1x 1.0 . 4.63 577 520 A 4 ILE HA A 5 ILE HG1x 1.0 . 4.40 578 521 A 5 ILE HG2% A 5 ILE HG1x 1.0 . 3.29 579 522 A 56 PHE H A 5 ILE HG2% 1.0 . 4.93 580 523 A 17 ARG HA A 20 ASP HBx 1.0 . 3.59 581 523 A 20 ASP HBy A 17 ARG HA 1.0 . 3.59 582 524 A 18 ALA HA A 68 LEU HDx% 1.0 . 3.47 583 525 A 22 LEU HBy A 19 ARG HA 1.0 . 3.50 584 526 A 21 LEU HA A 21 LEU HDy% 1.0 . 4.85 585 527 A 68 LEU HDx% A 21 LEU HDy% 1.0 . 4.45 586 528 A 68 LEU HDx% A 21 LEU HDx% 1.0 . 4.45 587 529 A 21 LEU HA A 21 LEU HDx% 1.0 . 4.85 588 530 A 22 LEU HA A 84 VAL HGy% 1.0 . 4.09 589 531 A 4 ILE HD1% A 22 LEU HBy 1.0 . 5.12 590 532 A 22 LEU HBy A 84 VAL HGx% 1.0 . 5.50 591 533 A 22 LEU HBy A 84 VAL HB 1.0 . 5.50 592 534 A 22 LEU HA A 22 LEU HDy% 1.0 . 4.56 593 535 A 29 TYR HBy A 22 LEU HDx% 1.0 . 5.03 594 536 A 19 ARG HA A 22 LEU HDx% 1.0 . 4.95 595 537 A 22 LEU HA A 22 LEU HDx% 1.0 . 4.56 596 538 A 29 TYR HD% A 22 LEU HDx% 1.0 . 5.12 597 539 A 60 TYR HA A 61 HIS HE1 1.0 . 4.79 598 540 A 57 ILE H A 60 TYR HA 1.0 . 5.20 599 541 A 24 LYS HA A 24 LYS HDx 1.0 . 3.71 600 541 A 24 LYS HDy A 24 LYS HA 1.0 . 3.71 601 542 A 24 LYS HA A 24 LYS HBx 1.0 . 2.98 602 542 A 24 LYS HBy A 24 LYS HA 1.0 . 2.98 603 543 A 26 GLY H A 24 LYS HA 1.0 . 4.40 604 544 A 27 VAL HA A 27 VAL HGy% 1.0 . 3.79 605 545 A 27 VAL HA A 27 VAL HGx% 1.0 . 3.79 606 546 A 28 LYS HA A 27 VAL HGx% 1.0 . 5.24 607 547 A 28 LYS H A 27 VAL HGx% 1.0 . 4.49 608 548 A 28 LYS HA A 27 VAL HGy% 1.0 . 5.24 609 549 A 28 LYS HA A 28 LYS HDx 1.0 . 3.12 610 549 A 28 LYS HDy A 28 LYS HA 1.0 . 3.12 611 550 A 4 ILE HG2% A 30 THR HA 1.0 . 5.35 612 551 A 30 THR HG2% A 7 TYR HE% 1.0 . 5.50 613 552 A 30 THR HG2% A 32 ILE HD1% 1.0 . 4.01 614 553 A 6 LEU H A 31 ASP HA 1.0 . 3.73 615 554 A 6 LEU HG A 31 ASP HA 1.0 . 4.08 616 555 A 32 ILE HA A 42 MET HE% 1.0 . 4.06 617 556 A 32 ILE HD1% A 7 TYR HA 1.0 . 4.99 618 557 A 46 ALA H A 44 GLN HA 1.0 . 4.10 619 558 A 43 VAL H A 40 GLN HA 1.0 . 3.92 620 559 A 32 ILE HG2% A 42 MET HE% 1.0 . 4.16 621 560 A 7 TYR HD% A 42 MET HE% 1.0 . 5.50 622 561 A 43 VAL HA A 43 VAL HGx% 1.0 . 3.45 623 562 A 46 ALA HB% A 43 VAL HA 1.0 . 3.98 624 563 A 43 VAL HA A 7 TYR HD% 1.0 . 5.21 625 564 A 43 VAL HA A 43 VAL HGy% 1.0 . 3.45 626 565 A 50 ASN HA A 43 VAL HGy% 1.0 . 4.38 627 566 A 51 THR HG2% A 52 PHE HD% 1.0 . 3.99 628 567 A 51 THR HG2% A 51 THR HA 1.0 . 3.32 629 568 A 55 ILE HD1% A 63 GLY HAy 1.0 . 5.50 630 569 A 54 GLN HA A 55 ILE HD1% 1.0 . 4.49 631 570 A 56 PHE H A 55 ILE HD1% 1.0 . 5.24 632 571 A 55 ILE HB A 55 ILE HD1% 1.0 . 3.14 633 572 A 62 VAL HB A 55 ILE HD1% 1.0 . 4.13 634 573 A 55 ILE HG2% A 18 ALA HA 1.0 . 5.25 635 574 A 55 ILE HG2% A 7 TYR HD% 1.0 . 5.50 636 575 A 56 PHE HA A 61 HIS HA 1.0 . 2.88 637 576 A 56 PHE HA A 62 VAL HGy% 1.0 . 4.33 638 577 A 56 PHE HA A 54 GLN HGx 1.0 . 5.50 639 577 A 54 GLN HGy A 56 PHE HA 1.0 . 5.50 640 578 A 56 PHE HBx A 5 ILE HB 1.0 . 3.20 641 579 A 57 ILE HA A 56 PHE HD% 1.0 . 4.56 642 580 A 4 ILE HA A 57 ILE HA 1.0 . 4.22 643 581 A 57 ILE HA A 56 PHE HBx 1.0 . 4.36 644 582 A 57 ILE HB A 57 ILE HD1% 1.0 . 3.26 645 583 A 4 ILE HA A 57 ILE HG2% 1.0 . 4.18 646 584 A 57 ILE HG2% A 80 LEU HA 1.0 . 4.12 647 585 A 4 ILE HB A 57 ILE HG2% 1.0 . 3.77 648 586 A 3 GLU H A 58 GLY HAy 1.0 . 4.48 649 587 A 62 VAL HGx% A 62 VAL HA 1.0 . 3.54 650 588 A 62 VAL HGy% A 62 VAL HA 1.0 . 3.33 651 589 A 62 VAL HGx% A 60 TYR HE% 1.0 . 4.44 652 590 A 55 ILE HD1% A 63 GLY HAx 1.0 . 5.50 653 591 A 70 ALA HB% A 66 ASP HA 1.0 . 4.81 654 592 A 62 VAL HGx% A 68 LEU HA 1.0 . 3.47 655 593 A 62 VAL HGy% A 68 LEU HA 1.0 . 3.92 656 594 A 68 LEU HDx% A 68 LEU HA 1.0 . 4.18 657 595 A 68 LEU HG A 68 LEU HA 1.0 . 3.89 658 596 A 71 LEU HG A 68 LEU HA 1.0 . 4.63 659 597 A 68 LEU HDy% A 21 LEU HDx% 1.0 . 4.61 660 598 A 68 LEU HDy% A 68 LEU HBy 1.0 . 3.45 661 599 A 68 LEU HBy A 80 LEU HDx% 1.0 . 3.74 662 600 A 80 LEU HBy A 80 LEU HDx% 1.0 . 3.90 663 601 A 68 LEU HDy% A 68 LEU HBx 1.0 . 4.10 664 602 A 18 ALA HA A 68 LEU HDy% 1.0 . 3.32 665 603 A 80 LEU HDx% A 80 LEU HA 1.0 . 3.48 666 604 A 69 TYR HE% A 68 LEU HDy% 1.0 . 4.50 667 605 A 69 TYR HA A 70 ALA HA 1.0 . 4.91 668 606 A 69 TYR HA A 72 GLU HBy 1.0 . 4.76 669 607 A 68 LEU HBx A 69 TYR HA 1.0 . 5.50 670 608 A 73 ASN HBx A 74 LYS HGx 1.0 . 5.50 671 608 A 73 ASN HBx A 74 LYS HGy 1.0 . 5.50 672 609 A 70 ALA H A 69 TYR HBx 1.0 . 4.15 673 610 A 1 MET HA A 1 MET HE% 1.0 . 4.54 674 611 A 70 ALA HB% A 67 ASP HBx 1.0 . 4.95 675 611 A 67 ASP HBy A 70 ALA HB% 1.0 . 4.95 676 612 A 70 ALA HB% A 71 LEU HA 1.0 . 4.52 677 613 A 69 TYR HD% A 70 ALA HB% 1.0 . 5.37 678 614 A 71 LEU HA A 74 LYS H 1.0 . 4.29 679 615 A 71 LEU HBx A 76 LYS HBy 1.0 . 4.21 680 616 A 71 LEU HBx A 77 LEU H 1.0 . 5.50 681 617 A 71 LEU HBy A 68 LEU HA 1.0 . 4.62 682 618 A 0 SER HA A 1 MET H 1.0 . 3.21 683 619 A 74 LYS HA A 74 LYS HDx 1.0 . 3.63 684 619 A 74 LYS HDy A 74 LYS HA 1.0 . 3.63 685 620 A 74 LYS HA A 74 LYS HGx 1.0 . 3.48 686 620 A 74 LYS HGy A 74 LYS HA 1.0 . 3.48 687 621 A 76 LYS HA A 76 LYS HDx 1.0 . 3.62 688 621 A 76 LYS HDy A 76 LYS HA 1.0 . 3.62 689 622 A 77 LEU HA A 77 LEU HG 1.0 . 3.66 690 623 A 77 LEU HA A 80 LEU HG 1.0 . 3.87 691 624 A 77 LEU HBx A 77 LEU HDx% 1.0 . 4.18 692 625 A 77 LEU HBx A 77 LEU HDy% 1.0 . 4.18 693 626 A 77 LEU HDx% A 77 LEU HBy 1.0 . 4.18 694 627 A 77 LEU HBy A 77 LEU HDy% 1.0 . 4.18 695 628 A 82 GLN H A 78 ASP HA 1.0 . 4.43 696 629 A 82 GLN H A 79 SER HA 1.0 . 4.14 697 630 A 83 ASP H A 79 SER HA 1.0 . 4.20 698 631 A 80 LEU HDy% A 80 LEU HBx 1.0 . 3.33 699 632 A 81 LEU H A 80 LEU HBx 1.0 . 4.74 700 633 A 81 LEU H A 80 LEU HBy 1.0 . 4.08 701 634 A 60 TYR HD% A 80 LEU HDx% 1.0 . 4.86 702 635 A 57 ILE HG2% A 80 LEU HDx% 1.0 . 3.35 703 636 A 80 LEU HDy% A 80 LEU HBy 1.0 . 3.43 704 637 A 77 LEU HA A 80 LEU HDy% 1.0 . 3.92 705 638 A 80 LEU HDy% A 60 TYR HE% 1.0 . 4.47 706 639 A 60 TYR HD% A 80 LEU HDy% 1.0 . 4.70 707 640 A 76 LYS H A 80 LEU HDy% 1.0 . 5.50 708 641 A 80 LEU HDy% A 83 ASP H 1.0 . 5.50 709 642 A 81 LEU HBy A 78 ASP HA 1.0 . 4.10 710 643 A 81 LEU HA A 81 LEU HDx% 1.0 . 3.57 711 644 A 27 VAL H A 84 VAL HB 1.0 . 5.50 712 645 A 22 LEU HBx A 84 VAL HB 1.0 . 4.88 713 646 A 84 VAL HB A 25 LYS HGx 1.0 . 5.50 714 646 A 25 LYS HGy A 84 VAL HB 1.0 . 5.50 715 647 A 84 VAL HB A 85 HIS HA 1.0 . 5.01 716 648 A 83 ASP H A 84 VAL HGx% 1.0 . 4.26 717 649 A 84 VAL HGx% A 85 HIS H 1.0 . 4.15 718 650 A 84 VAL HGx% A 84 VAL HA 1.0 . 3.30 719 651 A 84 VAL HGy% A 25 LYS HGx 1.0 . 3.69 720 651 A 25 LYS HGy A 84 VAL HGy% 1.0 . 3.69 721 652 A 83 ASP H A 84 VAL HGy% 1.0 . 3.89 722 653 A 4 ILE HG2% A 22 LEU HDx% 1.0 . 3.63 723 654 A 4 ILE HG2% A 22 LEU HDy% 1.0 . 3.63 724 655 A 4 ILE HG2% A 84 VAL HB 1.0 . 3.91 725 656 A 4 ILE HG2% A 22 LEU HBy 1.0 . 4.13 726 657 A 4 ILE HG2% A 57 ILE HA 1.0 . 5.09 727 658 A 4 ILE HG2% A 22 LEU H 1.0 . 5.50 728 659 A 4 ILE HD1% A 22 LEU HDx% 1.0 . 3.66 729 660 A 57 ILE HG2% A 57 ILE HD1% 1.0 . 3.83 730 661 A 32 ILE HD1% A 42 MET HE% 1.0 . 3.72 731 662 A 32 ILE HD1% A 39 ARG HA 1.0 . 4.85 732 663 A 30 THR HA A 32 ILE HD1% 1.0 . 4.98 733 664 A 32 ILE HD1% A 42 MET HA 1.0 . 5.50 734 665 A 5 ILE HA A 32 ILE HD1% 1.0 . 5.09 735 666 A 6 LEU H A 32 ILE HD1% 1.0 . 4.75 736 667 A 5 ILE HD1% A 32 ILE HD1% 1.0 . 3.85 737 668 A 6 LEU HG A 30 THR HA 1.0 . 5.12 738 669 A 6 LEU HG A 6 LEU HA 1.0 . 3.99 739 670 A 6 LEU HG A 29 TYR HD% 1.0 . 4.30 740 671 A 4 ILE HD1% A 6 LEU HG 1.0 . 4.05 741 672 A 56 PHE HBy A 5 ILE HG1y 1.0 . 5.19 742 673 A 69 TYR HA A 72 GLU HBx 1.0 . 4.76 743 674 A 82 GLN HE2y A 82 GLN HBx 1.0 . 4.18 744 675 A 82 GLN HE2y A 82 GLN HBy 1.0 . 4.18 745 676 A 17 ARG HBy A 69 TYR HE% 1.0 . 4.72 746 677 A 17 ARG HBx A 68 LEU HDx% 1.0 . 5.16 747 678 A 43 VAL H A 43 VAL HB 1.0 . 3.39 748 679 A 43 VAL HB A 40 GLN HA 1.0 . 4.11 749 680 A 7 TYR HBy A 54 GLN HBx 1.0 . 5.50 750 681 A 7 TYR HBy A 54 GLN HBy 1.0 . 5.50 751 682 A 26 GLY H A 25 LYS HBy 1.0 . 4.15 752 683 A 28 LYS HBx A 28 LYS HGx 1.0 . 2.77 753 683 A 28 LYS HGy A 28 LYS HBx 1.0 . 2.77 754 683 A 28 LYS HBy A 28 LYS HGy 1.0 . 2.77 755 683 A 28 LYS HBy A 28 LYS HGx 1.0 . 2.77 756 684 A 28 LYS HBx A 28 LYS HEx 1.0 . 4.29 757 684 A 28 LYS HBy A 28 LYS HEx 1.0 . 4.29 758 684 A 28 LYS HEy A 28 LYS HBx 1.0 . 4.29 759 684 A 28 LYS HEy A 28 LYS HBy 1.0 . 4.29 760 685 A 27 VAL HA A 28 LYS HBx 1.0 . 4.26 761 685 A 27 VAL HA A 28 LYS HBy 1.0 . 4.26 762 686 A 4 ILE H A 28 LYS HBx 1.0 . 5.50 763 686 A 4 ILE H A 28 LYS HBy 1.0 . 5.50 764 687 A 30 THR H A 28 LYS HBx 1.0 . 5.50 765 687 A 28 LYS HBy A 30 THR H 1.0 . 5.50 766 688 A 27 VAL HB A 28 LYS H 1.0 . 3.99 767 689 A 26 GLY H A 27 VAL HB 1.0 . 5.50 768 690 A 27 VAL HB A 85 HIS H 1.0 . 5.50 769 691 A 27 VAL HB A 84 VAL HA 1.0 . 4.81 770 692 A 82 GLN HA A 82 GLN HGy 1.0 . 3.90 771 693 A 82 GLN HA A 82 GLN HGx 1.0 . 3.90 772 694 A 83 ASP H A 82 GLN HGy 1.0 . 5.47 773 695 A 83 ASP H A 82 GLN HGx 1.0 . 5.47 774 696 A 76 LYS HBy A 76 LYS HDx 1.0 . 3.50 775 696 A 76 LYS HDy A 76 LYS HBy 1.0 . 3.50 776 697 A 76 LYS HBx A 76 LYS HDx 1.0 . 3.87 777 697 A 76 LYS HDy A 76 LYS HBx 1.0 . 3.87 778 698 A 83 ASP H A 83 ASP HBy 1.0 . 3.82 779 699 A 20 ASP HBy A 21 LEU HBy 1.0 . 5.50 780 699 A 20 ASP HBx A 21 LEU HBy 1.0 . 5.50 781 700 A 21 LEU HBx A 20 ASP HBx 1.0 . 5.50 782 700 A 20 ASP HBy A 21 LEU HBx 1.0 . 5.50 783 701 A 28 LYS HA A 29 TYR HBx 1.0 . 4.86 784 702 A 65 CYS H A 67 ASP HBx 1.0 . 4.78 785 702 A 67 ASP HBy A 65 CYS H 1.0 . 4.78 786 703 A 56 PHE HBy A 5 ILE HB 1.0 . 3.23 787 704 A 81 LEU HBx A 25 LYS HEx 1.0 . 5.50 788 704 A 81 LEU HBx A 25 LYS HEy 1.0 . 5.50 789 705 A 29 TYR HD% A 31 ASP HBx 1.0 . 4.82 790 706 A 29 TYR HE% A 31 ASP HBx 1.0 . 4.69 791 707 A 56 PHE HD% A 56 PHE HA 1.0 . 3.91 792 708 A 46 ALA HB% A 56 PHE HZ 1.0 . 3.59 793 709 A 7 TYR HE% A 43 VAL HA 1.0 . 5.09 794 710 A 7 TYR HE% A 32 ILE HG1y 1.0 . 4.47 795 711 A 69 TYR HD% A 68 LEU HG 1.0 . 3.46 796 712 A 56 PHE HBy A 7 TYR HE% 1.0 . 3.19 797 713 A 69 TYR HD% A 66 ASP HA 1.0 . 5.47 798 714 A 46 ALA HB% A 56 PHE HE% 1.0 . 3.55 799 715 A 56 PHE HZ A 56 PHE HD% 1.0 . 3.94 800 716 A 29 TYR HD% A 28 LYS HA 1.0 . 4.30 801 717 A 56 PHE HA A 56 PHE HE% 1.0 . 5.38 802 718 A 7 TYR HE% A 6 LEU HA 1.0 . 5.50 803 719 A 60 TYR HD% A 62 VAL HA 1.0 . 4.34 804 720 A 60 TYR HD% A 57 ILE HB 1.0 . 4.78 805 721 A 60 TYR HD% A 57 ILE HD1% 1.0 . 4.31 806 722 A 60 TYR HD% A 62 VAL HGy% 1.0 . 3.39 807 723 A 62 VAL HB A 60 TYR HD% 1.0 . 5.50 808 724 A 60 TYR HD% A 60 TYR HA 1.0 . 3.97 809 725 A 80 LEU HDx% A 60 TYR HE% 1.0 . 5.11 810 726 A 57 ILE HD1% A 60 TYR HE% 1.0 . 4.60 811 727 A 62 VAL HGy% A 60 TYR HE% 1.0 . 3.37 812 728 A 62 VAL HB A 60 TYR HE% 1.0 . 5.31 813 729 A 62 VAL HA A 60 TYR HE% 1.0 . 3.43 814 730 A 60 TYR HA A 60 TYR HE% 1.0 . 5.50 815 731 A 29 TYR HD% A 29 TYR H 1.0 . 3.25 816 732 A 69 TYR HD% A 69 TYR HA 1.0 . 4.06 817 733 A 69 TYR HE% A 69 TYR HA 1.0 . 4.66 818 734 A 18 ALA HA A 69 TYR HE% 1.0 . 3.89 819 735 A 69 TYR HD% A 68 LEU HDx% 1.0 . 4.52 820 736 A 12 CYS H A 11 ASN HBx 1.0 . 5.41 821 737 A 12 CYS H A 11 ASN HBy 1.0 . 5.41 822 738 A 14 TYR HD% A 17 ARG HBy 1.0 . 5.50 823 739 A 76 LYS HBy A 80 LEU H 1.0 . 5.50 824 740 A 19 ARG HA A 29 TYR HE% 1.0 . 4.24 825 741 A 69 TYR HD% A 68 LEU HDy% 1.0 . 4.89 826 742 A 39 ARG HA A 7 TYR HD% 1.0 . 4.55 827 743 A 32 ILE HD1% A 7 TYR HD% 1.0 . 4.48 828 744 A 51 THR HG2% A 52 PHE HE% 1.0 . 4.40 829 745 A 21 LEU H A 20 ASP HBx 1.0 . 3.57 830 745 A 20 ASP HBy A 21 LEU H 1.0 . 3.57 831 746 A 29 TYR HD% A 22 LEU HDy% 1.0 . 5.12 832 747 A 5 ILE HD1% A 7 TYR HE% 1.0 . 3.89 833 748 A 5 ILE HD1% A 56 PHE HD% 1.0 . 4.37 834 749 A 29 TYR HA A 4 ILE HG1y 1.0 . 5.50 835 750 A 29 TYR HA A 4 ILE HG1x 1.0 . 5.50 836 751 A 68 LEU HG A 66 ASP HA 1.0 . 5.07 837 752 A 68 LEU HDx% A 66 ASP HA 1.0 . 5.50 838 753 A 30 THR HG2% A 31 ASP HA 1.0 . 4.36 839 754 A 31 ASP HA A 6 LEU HBx 1.0 . 4.80 840 755 A 31 ASP HA A 6 LEU HBy 1.0 . 4.80 841 756 A 4 ILE HD1% A 29 TYR HA 1.0 . 4.01 842 757 A 4 ILE HG2% A 29 TYR HA 1.0 . 4.01 843 758 A 5 ILE HB A 6 LEU HA 1.0 . 4.84 844 759 A 29 TYR HA A 28 LYS HBx 1.0 . 5.20 845 759 A 28 LYS HBy A 29 TYR HA 1.0 . 5.20 846 760 A 5 ILE HG2% A 7 TYR HD% 1.0 . 5.05 847 761 A 4 ILE HG2% A 29 TYR HE% 1.0 . 5.50 848 762 A 22 LEU HBy A 29 TYR HE% 1.0 . 4.45 849 763 A 51 THR H A 49 ARG HGx 1.0 . 5.19 850 763 A 49 ARG HGy A 51 THR H 1.0 . 5.19 851 764 A 69 TYR HE% A 68 LEU HDx% 1.0 . 3.99 852 765 A 4 ILE HG2% A 29 TYR HD% 1.0 . 4.38 853 766 A 22 LEU HBx A 29 TYR HD% 1.0 . 4.05 854 767 A 69 TYR HE% A 21 LEU HBy 1.0 . 5.12 855 768 A 69 TYR HE% A 21 LEU HBx 1.0 . 5.12 856 769 A 32 ILE HB A 7 TYR HD% 1.0 . 4.19 857 770 A 5 ILE HB A 7 TYR HD% 1.0 . 4.67 858 771 A 39 ARG HBy A 7 TYR HD% 1.0 . 4.82 859 772 A 22 LEU HBy A 29 TYR HD% 1.0 . 4.22 860 773 A 39 ARG HBx A 7 TYR HD% 1.0 . 4.87 861 774 A 5 ILE HD1% A 56 PHE HE% 1.0 . 5.50 862 775 A 21 LEU H A 22 LEU HDy% 1.0 . 5.50 863 776 A 32 ILE HD1% A 7 TYR HE% 1.0 . 4.22 864 777 A 5 ILE HG2% A 7 TYR HE% 1.0 . 4.53 865 778 A 32 ILE HG2% A 7 TYR HE% 1.0 . 3.52 866 779 A 7 TYR HE% A 32 ILE HG1x 1.0 . 4.47 867 780 A 5 ILE HG1y A 7 TYR HE% 1.0 . 5.19 868 781 A 5 ILE HG1y A 56 PHE HD% 1.0 . 5.38 869 782 A 32 ILE HB A 7 TYR HE% 1.0 . 4.05 870 783 A 5 ILE HB A 7 TYR HE% 1.0 . 3.28 871 784 A 7 TYR HE% A 43 VAL HB 1.0 . 4.17 872 785 A 17 ARG HBx A 21 LEU H 1.0 . 5.30 873 786 A 7 TYR HE% A 42 MET HBx 1.0 . 3.93 874 786 A 7 TYR HE% A 42 MET HBy 1.0 . 3.93 875 787 A 29 TYR HD% A 31 ASP HBy 1.0 . 4.82 876 788 A 56 PHE HBy A 7 TYR HD% 1.0 . 4.88 877 789 A 29 TYR HE% A 31 ASP HBy 1.0 . 4.69 878 790 A 56 PHE HBx A 7 TYR HE% 1.0 . 3.83 879 791 A 18 ALA HA A 21 LEU H 1.0 . 4.44 880 792 A 7 TYR HE% A 39 ARG HA 1.0 . 3.69 881 793 A 56 PHE HD% A 61 HIS HA 1.0 . 4.21 882 794 A 7 TYR HE% A 7 TYR HA 1.0 . 4.73 883 795 A 29 TYR HD% A 30 THR HA 1.0 . 4.86 884 796 A 29 TYR HD% A 31 ASP HA 1.0 . 4.79 885 797 A 29 TYR HE% A 31 ASP HA 1.0 . 5.32 886 798 A 29 TYR HD% A 29 TYR HA 1.0 . 3.85 887 799 A 68 LEU HDy% A 21 LEU HDy% 1.0 . 4.61 888 800 A 5 ILE HD1% A 5 ILE HG2% 1.0 . 3.05 889 801 A 4 ILE HD1% A 22 LEU HDy% 1.0 . 3.66 890 802 A 5 ILE HD1% A 30 THR HG2% 1.0 . 3.85 891 803 A 5 ILE HD1% A 42 MET HE% 1.0 . 5.50 892 804 A 5 ILE HD1% A 3 GLU HBx 1.0 . 5.37 893 804 A 3 GLU HBy A 5 ILE HD1% 1.0 . 5.37 894 805 A 29 TYR HBy A 22 LEU HDy% 1.0 . 5.03 895 806 A 56 PHE HBy A 5 ILE HD1% 1.0 . 4.62 896 807 A 19 ARG HA A 22 LEU HDy% 1.0 . 4.95 897 808 A 5 ILE HD1% A 30 THR HB 1.0 . 4.10 898 809 A 18 ALA HB% A 19 ARG HA 1.0 . 4.07 899 810 A 4 ILE HD1% A 29 TYR HBy 1.0 . 3.72 900 811 A 22 LEU HBx A 29 TYR HBx 1.0 . 3.66 901 812 A 56 PHE HBy A 5 ILE HG2% 1.0 . 4.77 902 813 A 56 PHE HBy A 55 ILE HG2% 1.0 . 5.31 903 814 A 28 LYS HEy A 28 LYS HGx 1.0 . 3.96 904 814 A 28 LYS HGy A 28 LYS HEx 1.0 . 3.96 905 814 A 28 LYS HEy A 28 LYS HGy 1.0 . 3.96 906 814 A 28 LYS HEx A 28 LYS HGx 1.0 . 3.96 907 815 A 74 LYS HBy A 74 LYS HEx 1.0 . 4.96 908 815 A 74 LYS HBx A 74 LYS HEx 1.0 . 4.96 909 815 A 74 LYS HEy A 74 LYS HBx 1.0 . 4.96 910 815 A 74 LYS HBy A 74 LYS HEy 1.0 . 4.96 911 816 A 42 MET HE% A 42 MET HBx 1.0 . 4.15 912 816 A 42 MET HBy A 42 MET HE% 1.0 . 4.15 913 817 A 84 VAL HGy% A 84 VAL HA 1.0 . 3.29 914 818 A 50 ASN HA A 43 VAL HGx% 1.0 . 4.38 915 819 A 57 ILE HA A 57 ILE HG2% 1.0 . 3.39 916 820 A 28 LYS HA A 28 LYS HBx 1.0 . 3.02 917 820 A 28 LYS HBy A 28 LYS HA 1.0 . 3.02 918 821 A 36 THR HG2% A 36 THR HA 1.0 . 3.24 919 822 A 80 LEU HDy% A 80 LEU HA 1.0 . 3.55 920 823 A 57 ILE HA A 57 ILE HD1% 1.0 . 4.22 921 824 A 2 LYS HA A 2 LYS HDx 1.0 . 5.50 922 825 A 2 LYS HA A 2 LYS HDy 1.0 . 5.50 923 826 A 55 ILE HG2% A 55 ILE HA 1.0 . 3.73 924 827 A 4 ILE HG2% A 4 ILE HA 1.0 . 3.65 925 828 A 4 ILE HG2% A 5 ILE HA 1.0 . 4.37 926 829 A 12 CYS HA A 9 ARG HGx 1.0 . 4.82 927 829 A 9 ARG HGy A 12 CYS HA 1.0 . 4.82 928 830 A 5 ILE HA A 30 THR HG2% 1.0 . 4.32 929 831 A 81 LEU HA A 81 LEU HDy% 1.0 . 3.57 930 832 A 32 ILE HG2% A 39 ARG HA 1.0 . 3.60 931 833 A 32 ILE HG2% A 32 ILE HA 1.0 . 3.02 932 834 A 81 LEU HA A 25 LYS HGx 1.0 . 4.45 933 834 A 25 LYS HGy A 81 LEU HA 1.0 . 4.45 934 835 A 80 LEU HBx A 81 LEU HA 1.0 . 4.90 935 836 A 28 LYS HA A 28 LYS HGx 1.0 . 3.47 936 836 A 28 LYS HGy A 28 LYS HA 1.0 . 3.47 937 837 A 71 LEU HA A 76 LYS HBy 1.0 . 3.68 938 838 A 71 LEU HA A 74 LYS HBx 1.0 . 3.26 939 838 A 71 LEU HA A 74 LYS HBy 1.0 . 3.26 940 839 A 2 LYS H A 2 LYS HBx 1.0 . 3.64 941 839 A 2 LYS H A 2 LYS HBy 1.0 . 3.64 942 840 A 2 LYS H A 2 LYS HDy 1.0 . 4.63 943 840 A 2 LYS H A 2 LYS HDx 1.0 . 4.63 944 841 A 2 LYS HA A 2 LYS HDy 1.0 . 4.75 945 841 A 2 LYS HA A 2 LYS HDx 1.0 . 4.75 946 842 A 2 LYS HBy A 58 GLY HAx 1.0 . 3.66 947 842 A 2 LYS HBx A 58 GLY HAx 1.0 . 3.66 948 842 A 58 GLY HAy A 2 LYS HBx 1.0 . 3.66 949 842 A 2 LYS HBy A 58 GLY HAy 1.0 . 3.66 950 843 A 3 GLU H A 3 GLU HGy 1.0 . 3.52 951 843 A 3 GLU H A 3 GLU HGx 1.0 . 3.52 952 844 A 3 GLU H A 58 GLY HAx 1.0 . 3.87 953 844 A 3 GLU H A 58 GLY HAy 1.0 . 3.87 954 845 A 4 ILE H A 3 GLU HGy 1.0 . 3.89 955 845 A 4 ILE H A 3 GLU HGx 1.0 . 3.89 956 846 A 5 ILE HG1x A 3 GLU HGy 1.0 . 3.42 957 846 A 5 ILE HG1x A 3 GLU HGx 1.0 . 3.42 958 847 A 5 ILE HG1y A 3 GLU HGy 1.0 . 4.53 959 847 A 5 ILE HG1y A 3 GLU HGx 1.0 . 4.53 960 848 A 58 GLY H A 3 GLU HGy 1.0 . 4.67 961 848 A 58 GLY H A 3 GLU HGx 1.0 . 4.67 962 849 A 4 ILE H A 27 VAL HGx% 1.0 . 4.94 963 849 A 4 ILE H A 27 VAL HGy% 1.0 . 4.94 964 850 A 4 ILE HA A 4 ILE HG1x 1.0 . 3.73 965 850 A 4 ILE HA A 4 ILE HG1y 1.0 . 3.73 966 851 A 4 ILE HB A 22 LEU HDy% 1.0 . 5.44 967 851 A 4 ILE HB A 22 LEU HDx% 1.0 . 5.44 968 852 A 4 ILE HB A 83 ASP HBx 1.0 . 5.34 969 852 A 4 ILE HB A 83 ASP HBy 1.0 . 5.34 970 853 A 4 ILE HG2% A 4 ILE HG1x 1.0 . 3.06 971 853 A 4 ILE HG2% A 4 ILE HG1y 1.0 . 3.06 972 854 A 5 ILE H A 4 ILE HG1x 1.0 . 4.38 973 854 A 5 ILE H A 4 ILE HG1y 1.0 . 4.38 974 855 A 4 ILE HG1y A 22 LEU HDy% 1.0 . 4.42 975 855 A 4 ILE HG1x A 22 LEU HDy% 1.0 . 4.42 976 855 A 22 LEU HDx% A 4 ILE HG1x 1.0 . 4.42 977 855 A 4 ILE HG1y A 22 LEU HDx% 1.0 . 4.42 978 856 A 57 ILE HG2% A 4 ILE HG1x 1.0 . 4.37 979 856 A 57 ILE HG2% A 4 ILE HG1y 1.0 . 4.37 980 857 A 58 GLY H A 4 ILE HG1x 1.0 . 5.22 981 857 A 58 GLY H A 4 ILE HG1y 1.0 . 5.22 982 858 A 4 ILE HD1% A 6 LEU HBy 1.0 . 4.19 983 858 A 4 ILE HD1% A 6 LEU HBx 1.0 . 4.19 984 859 A 4 ILE HD1% A 22 LEU HDy% 1.0 . 2.92 985 859 A 4 ILE HD1% A 22 LEU HDx% 1.0 . 2.92 986 860 A 5 ILE HA A 32 ILE HG1x 1.0 . 5.08 987 860 A 5 ILE HA A 32 ILE HG1y 1.0 . 5.08 988 861 A 5 ILE HB A 54 GLN HE2y 1.0 . 5.34 989 861 A 5 ILE HB A 54 GLN HE2x 1.0 . 5.34 990 862 A 6 LEU H A 6 LEU HD11 1.0 . 3.85 991 862 A 6 LEU H A 6 LEU HDy% 1.0 . 3.85 992 863 A 6 LEU HA A 6 LEU HD11 1.0 . 4.18 993 863 A 6 LEU HA A 6 LEU HDy% 1.0 . 4.18 994 864 A 6 LEU HA A 55 ILE HG1y 1.0 . 3.98 995 864 A 6 LEU HA A 55 ILE HG1x 1.0 . 3.98 996 865 A 31 ASP HA A 6 LEU HBy 1.0 . 4.21 997 865 A 31 ASP HA A 6 LEU HBx 1.0 . 4.21 998 866 A 6 LEU HBx A 55 ILE HG1y 1.0 . 4.76 999 866 A 6 LEU HBy A 55 ILE HG1y 1.0 . 4.76 1000 866 A 55 ILE HG1x A 6 LEU HBy 1.0 . 4.76 1001 866 A 6 LEU HBx A 55 ILE HG1x 1.0 . 4.76 1002 867 A 6 LEU HG A 22 LEU HDy% 1.0 . 5.11 1003 867 A 6 LEU HG A 22 LEU HDx% 1.0 . 5.11 1004 868 A 6 LEU HG A 31 ASP HBx 1.0 . 3.97 1005 868 A 6 LEU HG A 31 ASP HBy 1.0 . 3.97 1006 869 A 18 ALA HB% A 6 LEU HD11 1.0 . 3.83 1007 869 A 18 ALA HB% A 6 LEU HDy% 1.0 . 3.83 1008 870 A 19 ARG H A 6 LEU HD11 1.0 . 4.17 1009 870 A 19 ARG H A 6 LEU HDy% 1.0 . 4.17 1010 871 A 19 ARG HA A 6 LEU HD11 1.0 . 3.66 1011 871 A 19 ARG HA A 6 LEU HDy% 1.0 . 3.66 1012 872 A 6 LEU HD11 A 22 LEU HDy% 1.0 . 3.25 1013 872 A 22 LEU HDx% A 6 LEU HD11 1.0 . 3.25 1014 872 A 22 LEU HDx% A 6 LEU HDy% 1.0 . 3.25 1015 872 A 6 LEU HDy% A 22 LEU HDy% 1.0 . 3.25 1016 873 A 29 TYR HBy A 6 LEU HD11 1.0 . 4.24 1017 873 A 29 TYR HBy A 6 LEU HDy% 1.0 . 4.24 1018 874 A 29 TYR HBx A 6 LEU HD11 1.0 . 4.54 1019 874 A 29 TYR HBx A 6 LEU HDy% 1.0 . 4.54 1020 875 A 29 TYR HD% A 6 LEU HD11 1.0 . 3.51 1021 875 A 29 TYR HD% A 6 LEU HDy% 1.0 . 3.51 1022 876 A 29 TYR HE% A 6 LEU HD11 1.0 . 3.80 1023 876 A 29 TYR HE% A 6 LEU HDy% 1.0 . 3.80 1024 877 A 30 THR H A 6 LEU HD11 1.0 . 5.00 1025 877 A 30 THR H A 6 LEU HDy% 1.0 . 5.00 1026 878 A 31 ASP HA A 6 LEU HD11 1.0 . 4.32 1027 878 A 31 ASP HA A 6 LEU HDy% 1.0 . 4.32 1028 879 A 6 LEU HDy% A 31 ASP HBx 1.0 . 4.62 1029 879 A 6 LEU HD11 A 31 ASP HBx 1.0 . 4.62 1030 879 A 31 ASP HBy A 6 LEU HD11 1.0 . 4.62 1031 879 A 6 LEU HDy% A 31 ASP HBy 1.0 . 4.62 1032 880 A 32 ILE H A 6 LEU HD11 1.0 . 5.06 1033 880 A 32 ILE H A 6 LEU HDy% 1.0 . 5.06 1034 881 A 7 TYR HBy A 54 GLN HE2y 1.0 . 4.44 1035 881 A 7 TYR HBy A 54 GLN HE2x 1.0 . 4.44 1036 882 A 7 TYR HBx A 39 ARG HGy 1.0 . 4.65 1037 882 A 7 TYR HBx A 39 ARG HGx 1.0 . 4.65 1038 883 A 7 TYR HD% A 32 ILE HG1x 1.0 . 4.27 1039 883 A 7 TYR HD% A 32 ILE HG1y 1.0 . 4.27 1040 884 A 7 TYR HD% A 39 ARG HGy 1.0 . 4.20 1041 884 A 7 TYR HD% A 39 ARG HGx 1.0 . 4.20 1042 885 A 7 TYR HD% A 43 VAL HGx% 1.0 . 5.36 1043 885 A 7 TYR HD% A 43 VAL HGy% 1.0 . 5.36 1044 886 A 54 GLN HE2y A 7 TYR HD% 1.0 . 4.56 1045 886 A 54 GLN HE2x A 7 TYR HD% 1.0 . 4.56 1046 887 A 7 TYR HE% A 32 ILE HG1x 1.0 . 3.72 1047 887 A 7 TYR HE% A 32 ILE HG1y 1.0 . 3.72 1048 888 A 7 TYR HE% A 39 ARG HGy 1.0 . 4.84 1049 888 A 7 TYR HE% A 39 ARG HGx 1.0 . 4.84 1050 889 A 10 PRO HGy A 11 ASN HD2y 1.0 . 5.18 1051 889 A 10 PRO HGx A 11 ASN HD2y 1.0 . 5.18 1052 889 A 11 ASN HD2x A 10 PRO HGx 1.0 . 5.18 1053 889 A 10 PRO HGy A 11 ASN HD2x 1.0 . 5.18 1054 890 A 12 CYS H A 12 CYS HBy 1.0 . 3.07 1055 890 A 12 CYS H A 12 CYS HBx 1.0 . 3.07 1056 891 A 15 CYS H A 12 CYS HBy 1.0 . 4.20 1057 891 A 15 CYS H A 12 CYS HBx 1.0 . 4.20 1058 892 A 14 TYR H A 14 TYR HBx 1.0 . 3.32 1059 892 A 14 TYR H A 14 TYR HBy 1.0 . 3.32 1060 893 A 14 TYR HA A 16 LYS HBx 1.0 . 4.40 1061 893 A 14 TYR HA A 16 LYS HBy 1.0 . 4.40 1062 894 A 15 CYS H A 14 TYR HBx 1.0 . 3.29 1063 894 A 15 CYS H A 14 TYR HBy 1.0 . 3.29 1064 895 A 14 TYR HD% A 17 ARG HDy 1.0 . 4.59 1065 895 A 14 TYR HD% A 17 ARG HDx 1.0 . 4.59 1066 896 A 16 LYS H A 16 LYS HBx 1.0 . 2.89 1067 896 A 16 LYS H A 16 LYS HBy 1.0 . 2.89 1068 897 A 16 LYS H A 16 LYS HGx 1.0 . 4.40 1069 897 A 16 LYS H A 16 LYS HGy 1.0 . 4.40 1070 898 A 17 ARG H A 16 LYS HBx 1.0 . 3.28 1071 898 A 17 ARG H A 16 LYS HBy 1.0 . 3.28 1072 899 A 17 ARG H A 17 ARG HGy 1.0 . 3.69 1073 899 A 17 ARG H A 17 ARG HGx 1.0 . 3.69 1074 900 A 17 ARG H A 17 ARG HDy 1.0 . 5.14 1075 900 A 17 ARG H A 17 ARG HDx 1.0 . 5.14 1076 901 A 17 ARG HA A 17 ARG HGy 1.0 . 3.16 1077 901 A 17 ARG HA A 17 ARG HGx 1.0 . 3.16 1078 902 A 18 ALA H A 17 ARG HGy 1.0 . 4.92 1079 902 A 18 ALA H A 17 ARG HGx 1.0 . 4.92 1080 903 A 69 TYR HE% A 17 ARG HGy 1.0 . 4.69 1081 903 A 69 TYR HE% A 17 ARG HGx 1.0 . 4.69 1082 904 A 18 ALA H A 19 ARG HGx 1.0 . 5.34 1083 904 A 18 ALA H A 19 ARG HGy 1.0 . 5.34 1084 905 A 18 ALA HA A 21 LEU HDy% 1.0 . 4.58 1085 905 A 18 ALA HA A 21 LEU HDx% 1.0 . 4.58 1086 906 A 18 ALA HB% A 22 LEU HDy% 1.0 . 4.09 1087 906 A 18 ALA HB% A 22 LEU HDx% 1.0 . 4.09 1088 907 A 18 ALA HB% A 55 ILE HG1y 1.0 . 4.16 1089 907 A 18 ALA HB% A 55 ILE HG1x 1.0 . 4.16 1090 908 A 19 ARG H A 19 ARG HBy 1.0 . 3.10 1091 908 A 19 ARG H A 19 ARG HBx 1.0 . 3.10 1092 909 A 19 ARG H A 19 ARG HGx 1.0 . 3.25 1093 909 A 19 ARG H A 19 ARG HGy 1.0 . 3.25 1094 910 A 19 ARG H A 22 LEU HDy% 1.0 . 5.44 1095 910 A 19 ARG H A 22 LEU HDx% 1.0 . 5.44 1096 911 A 19 ARG HA A 22 LEU HDy% 1.0 . 3.79 1097 911 A 19 ARG HA A 22 LEU HDx% 1.0 . 3.79 1098 912 A 20 ASP H A 19 ARG HBy 1.0 . 4.04 1099 912 A 20 ASP H A 19 ARG HBx 1.0 . 4.04 1100 913 A 20 ASP H A 19 ARG HGx 1.0 . 4.34 1101 913 A 20 ASP H A 19 ARG HGy 1.0 . 4.34 1102 914 A 20 ASP HA A 19 ARG HGx 1.0 . 3.86 1103 914 A 20 ASP HA A 19 ARG HGy 1.0 . 3.86 1104 915 A 19 ARG HGy A 20 ASP HBx 1.0 . 4.44 1105 915 A 19 ARG HGx A 20 ASP HBx 1.0 . 4.44 1106 915 A 20 ASP HBy A 19 ARG HGx 1.0 . 4.44 1107 915 A 20 ASP HBy A 19 ARG HGy 1.0 . 4.44 1108 916 A 21 LEU H A 19 ARG HGx 1.0 . 5.16 1109 916 A 21 LEU H A 19 ARG HGy 1.0 . 5.16 1110 917 A 29 TYR HE% A 19 ARG HDy 1.0 . 4.73 1111 917 A 29 TYR HE% A 19 ARG HDx 1.0 . 4.73 1112 918 A 20 ASP H A 22 LEU HDy% 1.0 . 5.39 1113 918 A 20 ASP H A 22 LEU HDx% 1.0 . 5.39 1114 919 A 20 ASP HBy A 21 LEU HBy 1.0 . 4.76 1115 919 A 20 ASP HBx A 21 LEU HBy 1.0 . 4.76 1116 919 A 21 LEU HBx A 20 ASP HBx 1.0 . 4.76 1117 919 A 20 ASP HBy A 21 LEU HBx 1.0 . 4.76 1118 920 A 21 LEU H A 22 LEU HDy% 1.0 . 4.19 1119 920 A 21 LEU H A 22 LEU HDx% 1.0 . 4.19 1120 921 A 21 LEU HA A 21 LEU HDy% 1.0 . 4.05 1121 921 A 21 LEU HA A 21 LEU HDx% 1.0 . 4.05 1122 922 A 21 LEU HBy A 21 LEU HDy% 1.0 . 2.84 1123 922 A 21 LEU HBx A 21 LEU HDy% 1.0 . 2.84 1124 922 A 21 LEU HDx% A 21 LEU HBy 1.0 . 2.84 1125 922 A 21 LEU HDx% A 21 LEU HBx 1.0 . 2.84 1126 923 A 22 LEU H A 21 LEU HBy 1.0 . 3.64 1127 923 A 22 LEU H A 21 LEU HBx 1.0 . 3.64 1128 924 A 21 LEU HBy A 22 LEU HDy% 1.0 . 3.86 1129 924 A 21 LEU HBx A 22 LEU HDy% 1.0 . 3.86 1130 924 A 22 LEU HDx% A 21 LEU HBy 1.0 . 3.86 1131 924 A 22 LEU HDx% A 21 LEU HBx 1.0 . 3.86 1132 925 A 69 TYR HD% A 21 LEU HBy 1.0 . 5.19 1133 925 A 69 TYR HD% A 21 LEU HBx 1.0 . 5.19 1134 926 A 22 LEU H A 21 LEU HDy% 1.0 . 4.33 1135 926 A 22 LEU H A 21 LEU HDx% 1.0 . 4.33 1136 927 A 21 LEU HDy% A 22 LEU HDy% 1.0 . 3.23 1137 927 A 21 LEU HDx% A 22 LEU HDy% 1.0 . 3.23 1138 927 A 22 LEU HDx% A 21 LEU HDy% 1.0 . 3.23 1139 927 A 22 LEU HDx% A 21 LEU HDx% 1.0 . 3.23 1140 928 A 68 LEU HDx% A 21 LEU HDy% 1.0 . 3.03 1141 928 A 68 LEU HDx% A 21 LEU HDx% 1.0 . 3.03 1142 929 A 68 LEU HDy% A 21 LEU HDy% 1.0 . 3.73 1143 929 A 68 LEU HDy% A 21 LEU HDx% 1.0 . 3.73 1144 930 A 69 TYR H A 21 LEU HDy% 1.0 . 5.44 1145 930 A 69 TYR H A 21 LEU HDx% 1.0 . 5.44 1146 931 A 69 TYR HA A 21 LEU HDy% 1.0 . 3.88 1147 931 A 69 TYR HA A 21 LEU HDx% 1.0 . 3.88 1148 932 A 69 TYR HD% A 21 LEU HDy% 1.0 . 4.27 1149 932 A 69 TYR HD% A 21 LEU HDx% 1.0 . 4.27 1150 933 A 69 TYR HE% A 21 LEU HDy% 1.0 . 4.24 1151 933 A 69 TYR HE% A 21 LEU HDx% 1.0 . 4.24 1152 934 A 72 GLU H A 21 LEU HDy% 1.0 . 5.44 1153 934 A 72 GLU H A 21 LEU HDx% 1.0 . 5.44 1154 935 A 72 GLU HA A 21 LEU HDy% 1.0 . 5.44 1155 935 A 72 GLU HA A 21 LEU HDx% 1.0 . 5.44 1156 936 A 21 LEU HDx% A 72 GLU HBy 1.0 . 3.77 1157 936 A 21 LEU HDy% A 72 GLU HBy 1.0 . 3.77 1158 936 A 72 GLU HBx A 21 LEU HDy% 1.0 . 3.77 1159 936 A 21 LEU HDx% A 72 GLU HBx 1.0 . 3.77 1160 937 A 21 LEU HDx% A 72 GLU HGx 1.0 . 4.19 1161 937 A 21 LEU HDy% A 72 GLU HGx 1.0 . 4.19 1162 937 A 72 GLU HGy A 21 LEU HDy% 1.0 . 4.19 1163 937 A 21 LEU HDx% A 72 GLU HGy 1.0 . 4.19 1164 938 A 80 LEU HDx% A 21 LEU HDy% 1.0 . 5.10 1165 938 A 80 LEU HDx% A 21 LEU HDx% 1.0 . 5.10 1166 939 A 84 VAL HGx% A 21 LEU HDy% 1.0 . 4.79 1167 939 A 84 VAL HGx% A 21 LEU HDx% 1.0 . 4.79 1168 940 A 84 VAL HGy% A 21 LEU HDy% 1.0 . 4.21 1169 940 A 84 VAL HGy% A 21 LEU HDx% 1.0 . 4.21 1170 941 A 22 LEU HA A 22 LEU HDy% 1.0 . 3.13 1171 941 A 22 LEU HA A 22 LEU HDx% 1.0 . 3.13 1172 942 A 22 LEU HBy A 22 LEU HDy% 1.0 . 2.89 1173 942 A 22 LEU HBy A 22 LEU HDx% 1.0 . 2.89 1174 943 A 23 ASP H A 22 LEU HDy% 1.0 . 5.25 1175 943 A 23 ASP H A 22 LEU HDx% 1.0 . 5.25 1176 944 A 25 LYS H A 22 LEU HDy% 1.0 . 5.03 1177 944 A 25 LYS H A 22 LEU HDx% 1.0 . 5.03 1178 945 A 29 TYR HA A 22 LEU HDy% 1.0 . 4.73 1179 945 A 29 TYR HA A 22 LEU HDx% 1.0 . 4.73 1180 946 A 29 TYR HBy A 22 LEU HDy% 1.0 . 4.34 1181 946 A 29 TYR HBy A 22 LEU HDx% 1.0 . 4.34 1182 947 A 29 TYR HBx A 22 LEU HDy% 1.0 . 4.64 1183 947 A 29 TYR HBx A 22 LEU HDx% 1.0 . 4.64 1184 948 A 29 TYR HD% A 22 LEU HDy% 1.0 . 3.60 1185 948 A 29 TYR HD% A 22 LEU HDx% 1.0 . 3.60 1186 949 A 29 TYR HE% A 22 LEU HDy% 1.0 . 4.58 1187 949 A 29 TYR HE% A 22 LEU HDx% 1.0 . 4.58 1188 950 A 84 VAL HB A 22 LEU HDy% 1.0 . 3.79 1189 950 A 84 VAL HB A 22 LEU HDx% 1.0 . 3.79 1190 951 A 84 VAL HGx% A 22 LEU HDy% 1.0 . 2.63 1191 951 A 84 VAL HGx% A 22 LEU HDx% 1.0 . 2.63 1192 952 A 24 LYS H A 25 LYS HBx 1.0 . 4.88 1193 952 A 24 LYS H A 25 LYS HBy 1.0 . 4.88 1194 953 A 25 LYS H A 25 LYS HBx 1.0 . 3.35 1195 953 A 25 LYS H A 25 LYS HBy 1.0 . 3.35 1196 954 A 25 LYS H A 25 LYS HDy 1.0 . 3.73 1197 954 A 25 LYS H A 25 LYS HDx 1.0 . 3.73 1198 955 A 26 GLY H A 25 LYS HBx 1.0 . 3.55 1199 955 A 26 GLY H A 25 LYS HBy 1.0 . 3.55 1200 956 A 27 VAL H A 25 LYS HBx 1.0 . 4.21 1201 956 A 27 VAL H A 25 LYS HBy 1.0 . 4.21 1202 957 A 84 VAL HGy% A 25 LYS HBx 1.0 . 3.58 1203 957 A 84 VAL HGy% A 25 LYS HBy 1.0 . 3.58 1204 958 A 26 GLY H A 27 VAL HGx% 1.0 . 4.16 1205 958 A 26 GLY H A 27 VAL HGy% 1.0 . 4.16 1206 959 A 27 VAL H A 27 VAL HGx% 1.0 . 2.85 1207 959 A 27 VAL H A 27 VAL HGy% 1.0 . 2.85 1208 960 A 28 LYS H A 27 VAL HGx% 1.0 . 3.67 1209 960 A 28 LYS H A 27 VAL HGy% 1.0 . 3.67 1210 961 A 28 LYS HA A 27 VAL HGx% 1.0 . 4.15 1211 961 A 28 LYS HA A 27 VAL HGy% 1.0 . 4.15 1212 962 A 29 TYR H A 27 VAL HGx% 1.0 . 5.44 1213 962 A 29 TYR H A 27 VAL HGy% 1.0 . 5.44 1214 963 A 29 TYR HBx A 27 VAL HGx% 1.0 . 3.76 1215 963 A 29 TYR HBx A 27 VAL HGy% 1.0 . 3.76 1216 964 A 29 TYR HD% A 27 VAL HGx% 1.0 . 4.71 1217 964 A 29 TYR HD% A 27 VAL HGy% 1.0 . 4.71 1218 965 A 29 TYR HE% A 27 VAL HGx% 1.0 . 5.44 1219 965 A 29 TYR HE% A 27 VAL HGy% 1.0 . 5.44 1220 966 A 84 VAL H A 27 VAL HGx% 1.0 . 5.12 1221 966 A 84 VAL H A 27 VAL HGy% 1.0 . 5.12 1222 967 A 84 VAL HB A 27 VAL HGx% 1.0 . 3.12 1223 967 A 84 VAL HB A 27 VAL HGy% 1.0 . 3.12 1224 968 A 29 TYR HD% A 31 ASP HBx 1.0 . 4.21 1225 968 A 29 TYR HD% A 31 ASP HBy 1.0 . 4.21 1226 969 A 29 TYR HE% A 31 ASP HBx 1.0 . 4.11 1227 969 A 29 TYR HE% A 31 ASP HBy 1.0 . 4.11 1228 970 A 30 THR HA A 31 ASP HBx 1.0 . 4.56 1229 970 A 30 THR HA A 31 ASP HBy 1.0 . 4.56 1230 971 A 31 ASP H A 31 ASP HBx 1.0 . 3.08 1231 971 A 31 ASP H A 31 ASP HBy 1.0 . 3.08 1232 972 A 31 ASP HA A 32 ILE HG1x 1.0 . 4.49 1233 972 A 31 ASP HA A 32 ILE HG1y 1.0 . 4.49 1234 973 A 32 ILE HD1% A 31 ASP HBx 1.0 . 5.34 1235 973 A 32 ILE HD1% A 31 ASP HBy 1.0 . 5.34 1236 974 A 32 ILE H A 32 ILE HG1x 1.0 . 3.92 1237 974 A 32 ILE H A 32 ILE HG1y 1.0 . 3.92 1238 975 A 32 ILE HG2% A 33 ASP HBx 1.0 . 5.31 1239 975 A 32 ILE HG2% A 33 ASP HBy 1.0 . 5.31 1240 976 A 42 MET HE% A 32 ILE HG1x 1.0 . 4.21 1241 976 A 42 MET HE% A 32 ILE HG1y 1.0 . 4.21 1242 977 A 32 ILE HD1% A 42 MET HGx 1.0 . 4.08 1243 977 A 32 ILE HD1% A 42 MET HGy 1.0 . 4.08 1244 978 A 33 ASP H A 33 ASP HBx 1.0 . 3.00 1245 978 A 33 ASP H A 33 ASP HBy 1.0 . 3.00 1246 979 A 35 SER H A 35 SER HBx 1.0 . 3.41 1247 979 A 35 SER H A 35 SER HBy 1.0 . 3.41 1248 980 A 39 ARG H A 39 ARG HGy 1.0 . 5.19 1249 980 A 39 ARG H A 39 ARG HGx 1.0 . 5.19 1250 981 A 40 GLN H A 40 GLN HBy 1.0 . 3.02 1251 981 A 40 GLN H A 40 GLN HBx 1.0 . 3.02 1252 982 A 40 GLN H A 40 GLN HGx 1.0 . 4.54 1253 982 A 40 GLN H A 40 GLN HGy 1.0 . 4.54 1254 983 A 40 GLN H A 43 VAL HGx% 1.0 . 5.44 1255 983 A 40 GLN H A 43 VAL HGy% 1.0 . 5.44 1256 984 A 40 GLN HA A 40 GLN HBy 1.0 . 2.60 1257 984 A 40 GLN HA A 40 GLN HBx 1.0 . 2.60 1258 985 A 40 GLN HA A 43 VAL HGx% 1.0 . 3.22 1259 985 A 40 GLN HA A 43 VAL HGy% 1.0 . 3.22 1260 986 A 41 GLU H A 40 GLN HBy 1.0 . 3.16 1261 986 A 41 GLU H A 40 GLN HBx 1.0 . 3.16 1262 987 A 42 MET H A 41 GLU HBx 1.0 . 4.02 1263 987 A 42 MET H A 41 GLU HBy 1.0 . 4.02 1264 988 A 42 MET H A 43 VAL HGx% 1.0 . 5.38 1265 988 A 42 MET H A 43 VAL HGy% 1.0 . 5.38 1266 989 A 43 VAL H A 43 VAL HGx% 1.0 . 2.94 1267 989 A 43 VAL H A 43 VAL HGy% 1.0 . 2.94 1268 990 A 44 GLN H A 43 VAL HGx% 1.0 . 3.59 1269 990 A 44 GLN H A 43 VAL HGy% 1.0 . 3.59 1270 991 A 43 VAL HGy% A 50 ASN HBy 1.0 . 3.81 1271 991 A 43 VAL HGx% A 50 ASN HBy 1.0 . 3.81 1272 991 A 50 ASN HBx A 43 VAL HGx% 1.0 . 3.81 1273 991 A 43 VAL HGy% A 50 ASN HBx 1.0 . 3.81 1274 992 A 43 VAL HGx% A 50 ASN HD2x 1.0 . 4.62 1275 992 A 43 VAL HGy% A 50 ASN HD2x 1.0 . 4.62 1276 992 A 50 ASN HD2y A 43 VAL HGx% 1.0 . 4.62 1277 992 A 43 VAL HGy% A 50 ASN HD2y 1.0 . 4.62 1278 993 A 56 PHE HD% A 43 VAL HGx% 1.0 . 4.96 1279 993 A 56 PHE HD% A 43 VAL HGy% 1.0 . 4.96 1280 994 A 56 PHE HE% A 43 VAL HGx% 1.0 . 5.44 1281 994 A 56 PHE HE% A 43 VAL HGy% 1.0 . 5.44 1282 995 A 44 GLN H A 44 GLN HGx 1.0 . 3.57 1283 995 A 44 GLN H A 44 GLN HGy 1.0 . 3.57 1284 996 A 44 GLN H A 45 ARG HBx 1.0 . 5.34 1285 996 A 44 GLN H A 45 ARG HBy 1.0 . 5.34 1286 997 A 44 GLN H A 47 ASN HD2x 1.0 . 5.34 1287 997 A 44 GLN H A 47 ASN HD2y 1.0 . 5.34 1288 998 A 44 GLN HA A 44 GLN HGx 1.0 . 3.56 1289 998 A 44 GLN HA A 44 GLN HGy 1.0 . 3.56 1290 999 A 44 GLN HA A 47 ASN HD2x 1.0 . 5.34 1291 999 A 44 GLN HA A 47 ASN HD2y 1.0 . 5.34 1292 1000 A 45 ARG H A 45 ARG HBx 1.0 . 3.03 1293 1000 A 45 ARG H A 45 ARG HBy 1.0 . 3.03 1294 1001 A 46 ALA H A 45 ARG HBx 1.0 . 3.94 1295 1001 A 46 ALA H A 45 ARG HBy 1.0 . 3.94 1296 1002 A 46 ALA H A 47 ASN HD2x 1.0 . 5.34 1297 1002 A 46 ALA H A 47 ASN HD2y 1.0 . 5.34 1298 1003 A 47 ASN H A 47 ASN HBy 1.0 . 3.65 1299 1003 A 47 ASN H A 47 ASN HBx 1.0 . 3.65 1300 1004 A 47 ASN HBy A 47 ASN HD2x 1.0 . 3.16 1301 1004 A 47 ASN HBx A 47 ASN HD2x 1.0 . 3.16 1302 1004 A 47 ASN HD2y A 47 ASN HBy 1.0 . 3.16 1303 1004 A 47 ASN HD2y A 47 ASN HBx 1.0 . 3.16 1304 1005 A 47 ASN HD2y A 49 ARG HBx 1.0 . 5.26 1305 1005 A 47 ASN HD2x A 49 ARG HBx 1.0 . 5.26 1306 1005 A 49 ARG HBy A 47 ASN HD2x 1.0 . 5.26 1307 1005 A 49 ARG HBy A 47 ASN HD2y 1.0 . 5.26 1308 1006 A 50 ASN H A 47 ASN HD2x 1.0 . 5.34 1309 1006 A 50 ASN H A 47 ASN HD2y 1.0 . 5.34 1310 1007 A 49 ARG H A 49 ARG HDy 1.0 . 5.20 1311 1007 A 49 ARG H A 49 ARG HDx 1.0 . 5.20 1312 1008 A 50 ASN HBy A 50 ASN HD2x 1.0 . 3.22 1313 1008 A 50 ASN HBx A 50 ASN HD2x 1.0 . 3.22 1314 1008 A 50 ASN HD2y A 50 ASN HBy 1.0 . 3.22 1315 1008 A 50 ASN HBx A 50 ASN HD2y 1.0 . 3.22 1316 1009 A 52 PHE H A 52 PHE HBy 1.0 . 3.45 1317 1009 A 52 PHE H A 52 PHE HBx 1.0 . 3.45 1318 1010 A 54 GLN H A 54 GLN HBx 1.0 . 3.55 1319 1010 A 54 GLN H A 54 GLN HBy 1.0 . 3.55 1320 1011 A 54 GLN HA A 54 GLN HE2x 1.0 . 4.79 1321 1011 A 54 GLN HA A 54 GLN HE2y 1.0 . 4.79 1322 1012 A 54 GLN HA A 63 GLY HAx 1.0 . 4.97 1323 1012 A 54 GLN HA A 63 GLY HAy 1.0 . 4.97 1324 1013 A 54 GLN HE2y A 54 GLN HBx 1.0 . 3.80 1325 1013 A 54 GLN HE2x A 54 GLN HBy 1.0 . 3.80 1326 1013 A 54 GLN HE2y A 54 GLN HBy 1.0 . 3.80 1327 1013 A 54 GLN HE2x A 54 GLN HBx 1.0 . 3.80 1328 1014 A 55 ILE H A 54 GLN HBx 1.0 . 4.39 1329 1014 A 55 ILE H A 54 GLN HBy 1.0 . 4.39 1330 1015 A 54 GLN HBx A 63 GLY HAx 1.0 . 3.60 1331 1015 A 54 GLN HBy A 63 GLY HAx 1.0 . 3.60 1332 1015 A 63 GLY HAy A 54 GLN HBx 1.0 . 3.60 1333 1015 A 54 GLN HBy A 63 GLY HAy 1.0 . 3.60 1334 1016 A 54 GLN HGy A 61 HIS HBx 1.0 . 4.44 1335 1016 A 54 GLN HGx A 61 HIS HBx 1.0 . 4.44 1336 1016 A 61 HIS HBy A 54 GLN HGx 1.0 . 4.44 1337 1016 A 54 GLN HGy A 61 HIS HBy 1.0 . 4.44 1338 1017 A 56 PHE HA A 54 GLN HE2y 1.0 . 4.42 1339 1017 A 56 PHE HA A 54 GLN HE2x 1.0 . 4.42 1340 1018 A 56 PHE HBy A 54 GLN HE2y 1.0 . 4.53 1341 1018 A 56 PHE HBy A 54 GLN HE2x 1.0 . 4.53 1342 1019 A 56 PHE HBx A 54 GLN HE2y 1.0 . 5.29 1343 1019 A 56 PHE HBx A 54 GLN HE2x 1.0 . 5.29 1344 1020 A 56 PHE HD% A 54 GLN HE2y 1.0 . 3.57 1345 1020 A 56 PHE HD% A 54 GLN HE2x 1.0 . 3.57 1346 1021 A 54 GLN HE2y A 56 PHE HE% 1.0 . 4.27 1347 1021 A 54 GLN HE2x A 56 PHE HE% 1.0 . 4.27 1348 1022 A 57 ILE H A 54 GLN HE2y 1.0 . 5.11 1349 1022 A 57 ILE H A 54 GLN HE2x 1.0 . 5.11 1350 1023 A 61 HIS HA A 54 GLN HE2y 1.0 . 3.56 1351 1023 A 61 HIS HA A 54 GLN HE2x 1.0 . 3.56 1352 1024 A 54 GLN HE2y A 61 HIS HBx 1.0 . 4.20 1353 1024 A 54 GLN HE2y A 61 HIS HBy 1.0 . 4.20 1354 1024 A 54 GLN HE2x A 61 HIS HBy 1.0 . 4.20 1355 1024 A 54 GLN HE2x A 61 HIS HBx 1.0 . 4.20 1356 1025 A 62 VAL H A 54 GLN HE2x 1.0 . 4.12 1357 1025 A 62 VAL H A 54 GLN HE2y 1.0 . 4.12 1358 1026 A 62 VAL HGy% A 54 GLN HE2y 1.0 . 5.34 1359 1026 A 62 VAL HGy% A 54 GLN HE2x 1.0 . 5.34 1360 1027 A 63 GLY H A 54 GLN HE2y 1.0 . 4.78 1361 1027 A 63 GLY H A 54 GLN HE2x 1.0 . 4.78 1362 1028 A 55 ILE H A 55 ILE HG1y 1.0 . 3.94 1363 1028 A 55 ILE H A 55 ILE HG1x 1.0 . 3.94 1364 1029 A 55 ILE H A 63 GLY HAx 1.0 . 4.74 1365 1029 A 55 ILE H A 63 GLY HAy 1.0 . 4.74 1366 1030 A 55 ILE HA A 55 ILE HG1y 1.0 . 3.42 1367 1030 A 55 ILE HA A 55 ILE HG1x 1.0 . 3.42 1368 1031 A 65 CYS HA A 55 ILE HG1y 1.0 . 4.02 1369 1031 A 65 CYS HA A 55 ILE HG1x 1.0 . 4.02 1370 1032 A 55 ILE HD1% A 63 GLY HAx 1.0 . 4.72 1371 1032 A 55 ILE HD1% A 63 GLY HAy 1.0 . 4.72 1372 1033 A 55 ILE HD1% A 64 GLY HAy 1.0 . 4.89 1373 1033 A 55 ILE HD1% A 64 GLY HAx 1.0 . 4.89 1374 1034 A 57 ILE H A 57 ILE HG1x 1.0 . 3.62 1375 1034 A 57 ILE H A 57 ILE HG1y 1.0 . 3.62 1376 1035 A 57 ILE HA A 57 ILE HG1x 1.0 . 3.71 1377 1035 A 57 ILE HA A 57 ILE HG1y 1.0 . 3.71 1378 1036 A 57 ILE HG2% A 83 ASP HBx 1.0 . 4.21 1379 1036 A 57 ILE HG2% A 83 ASP HBy 1.0 . 4.21 1380 1037 A 60 TYR HE% A 57 ILE HG1x 1.0 . 4.41 1381 1037 A 60 TYR HE% A 57 ILE HG1y 1.0 . 4.41 1382 1038 A 80 LEU HDy% A 57 ILE HG1x 1.0 . 3.76 1383 1038 A 80 LEU HDy% A 57 ILE HG1y 1.0 . 3.76 1384 1039 A 57 ILE HG1y A 83 ASP HBx 1.0 . 4.57 1385 1039 A 57 ILE HG1x A 83 ASP HBx 1.0 . 4.57 1386 1039 A 83 ASP HBy A 57 ILE HG1x 1.0 . 4.57 1387 1039 A 83 ASP HBy A 57 ILE HG1y 1.0 . 4.57 1388 1040 A 57 ILE HD1% A 83 ASP HBx 1.0 . 4.58 1389 1040 A 57 ILE HD1% A 83 ASP HBy 1.0 . 4.58 1390 1041 A 60 TYR H A 58 GLY HAx 1.0 . 5.17 1391 1041 A 60 TYR H A 58 GLY HAy 1.0 . 5.17 1392 1042 A 60 TYR HA A 59 ASP HBy 1.0 . 4.95 1393 1042 A 60 TYR HA A 59 ASP HBx 1.0 . 4.95 1394 1043 A 61 HIS H A 61 HIS HBx 1.0 . 3.10 1395 1043 A 61 HIS H A 61 HIS HBy 1.0 . 3.10 1396 1044 A 61 HIS HD2 A 61 HIS HBx 1.0 . 3.35 1397 1044 A 61 HIS HBy A 61 HIS HD2 1.0 . 3.35 1398 1045 A 64 GLY H A 63 GLY HAx 1.0 . 3.02 1399 1045 A 64 GLY H A 63 GLY HAy 1.0 . 3.02 1400 1046 A 63 GLY HAy A 64 GLY HAy 1.0 . 5.18 1401 1046 A 64 GLY HAx A 63 GLY HAx 1.0 . 5.18 1402 1046 A 63 GLY HAy A 64 GLY HAx 1.0 . 5.18 1403 1046 A 63 GLY HAx A 64 GLY HAy 1.0 . 5.18 1404 1047 A 63 GLY HAx A 67 ASP HBx 1.0 . 4.55 1405 1047 A 63 GLY HAy A 67 ASP HBx 1.0 . 4.55 1406 1047 A 67 ASP HBy A 63 GLY HAx 1.0 . 4.55 1407 1047 A 67 ASP HBy A 63 GLY HAy 1.0 . 4.55 1408 1048 A 67 ASP H A 64 GLY HAy 1.0 . 4.92 1409 1048 A 67 ASP H A 64 GLY HAx 1.0 . 4.92 1410 1049 A 66 ASP H A 66 ASP HBx 1.0 . 3.31 1411 1049 A 66 ASP H A 66 ASP HBy 1.0 . 3.31 1412 1050 A 68 LEU H A 71 LEU HDy% 1.0 . 4.83 1413 1050 A 68 LEU H A 71 LEU HDx% 1.0 . 4.83 1414 1051 A 68 LEU HDx% A 69 TYR HBx 1.0 . 3.86 1415 1051 A 68 LEU HDx% A 69 TYR HBy 1.0 . 3.86 1416 1052 A 69 TYR H A 69 TYR HBx 1.0 . 3.38 1417 1052 A 69 TYR H A 69 TYR HBy 1.0 . 3.38 1418 1053 A 69 TYR HA A 72 GLU HBy 1.0 . 3.93 1419 1053 A 69 TYR HA A 72 GLU HBx 1.0 . 3.93 1420 1054 A 70 ALA H A 69 TYR HBx 1.0 . 3.48 1421 1054 A 70 ALA H A 69 TYR HBy 1.0 . 3.48 1422 1055 A 70 ALA HB% A 69 TYR HBx 1.0 . 4.32 1423 1055 A 70 ALA HB% A 69 TYR HBy 1.0 . 4.32 1424 1056 A 71 LEU H A 71 LEU HDy% 1.0 . 3.59 1425 1056 A 71 LEU H A 71 LEU HDx% 1.0 . 3.59 1426 1057 A 71 LEU HA A 71 LEU HDy% 1.0 . 3.53 1427 1057 A 71 LEU HA A 71 LEU HDx% 1.0 . 3.53 1428 1058 A 72 GLU H A 71 LEU HDy% 1.0 . 4.23 1429 1058 A 72 GLU H A 71 LEU HDx% 1.0 . 4.23 1430 1059 A 73 ASN H A 71 LEU HDy% 1.0 . 5.44 1431 1059 A 73 ASN H A 71 LEU HDx% 1.0 . 5.44 1432 1060 A 76 LYS H A 71 LEU HDy% 1.0 . 4.51 1433 1060 A 76 LYS H A 71 LEU HDx% 1.0 . 4.51 1434 1061 A 76 LYS HBy A 71 LEU HDy% 1.0 . 3.82 1435 1061 A 76 LYS HBy A 71 LEU HDx% 1.0 . 3.82 1436 1062 A 71 LEU HDx% A 76 LYS HEx 1.0 . 4.57 1437 1062 A 71 LEU HDy% A 76 LYS HEx 1.0 . 4.57 1438 1062 A 76 LYS HEy A 71 LEU HDy% 1.0 . 4.57 1439 1062 A 76 LYS HEy A 71 LEU HDx% 1.0 . 4.57 1440 1063 A 72 GLU H A 72 GLU HBy 1.0 . 2.93 1441 1063 A 72 GLU H A 72 GLU HBx 1.0 . 2.93 1442 1064 A 72 GLU H A 72 GLU HGx 1.0 . 4.43 1443 1064 A 72 GLU H A 72 GLU HGy 1.0 . 4.43 1444 1065 A 73 ASN H A 72 GLU HBy 1.0 . 4.18 1445 1065 A 73 ASN H A 72 GLU HBx 1.0 . 4.18 1446 1066 A 73 ASN H A 72 GLU HGx 1.0 . 4.19 1447 1066 A 73 ASN H A 72 GLU HGy 1.0 . 4.19 1448 1067 A 73 ASN HA A 72 GLU HGx 1.0 . 4.49 1449 1067 A 73 ASN HA A 72 GLU HGy 1.0 . 4.49 1450 1068 A 73 ASN HA A 73 ASN HD2x 1.0 . 3.96 1451 1068 A 73 ASN HA A 73 ASN HD2y 1.0 . 3.96 1452 1069 A 73 ASN HA A 77 LEU HBy 1.0 . 4.36 1453 1069 A 73 ASN HA A 77 LEU HBx 1.0 . 4.36 1454 1070 A 73 ASN HBy A 73 ASN HD2x 1.0 . 3.58 1455 1070 A 73 ASN HBy A 73 ASN HD2y 1.0 . 3.58 1456 1071 A 74 LYS H A 77 LEU HBy 1.0 . 5.34 1457 1071 A 74 LYS H A 77 LEU HBx 1.0 . 5.34 1458 1072 A 76 LYS HA A 76 LYS HGx 1.0 . 3.60 1459 1072 A 76 LYS HA A 76 LYS HGy 1.0 . 3.60 1460 1073 A 77 LEU H A 77 LEU HDy% 1.0 . 4.45 1461 1073 A 77 LEU H A 77 LEU HDx% 1.0 . 4.45 1462 1074 A 77 LEU HA A 77 LEU HDy% 1.0 . 3.92 1463 1074 A 77 LEU HA A 77 LEU HDx% 1.0 . 3.92 1464 1075 A 77 LEU HA A 81 LEU HDy% 1.0 . 3.57 1465 1075 A 77 LEU HA A 81 LEU HDx% 1.0 . 3.57 1466 1076 A 78 ASP H A 77 LEU HBy 1.0 . 3.20 1467 1076 A 78 ASP H A 77 LEU HBx 1.0 . 3.20 1468 1077 A 78 ASP H A 77 LEU HDy% 1.0 . 4.03 1469 1077 A 78 ASP H A 77 LEU HDx% 1.0 . 4.03 1470 1078 A 78 ASP HA A 77 LEU HDy% 1.0 . 3.52 1471 1078 A 78 ASP HA A 77 LEU HDx% 1.0 . 3.52 1472 1079 A 79 SER H A 77 LEU HDy% 1.0 . 5.44 1473 1079 A 79 SER H A 77 LEU HDx% 1.0 . 5.44 1474 1080 A 80 LEU H A 77 LEU HDy% 1.0 . 5.28 1475 1080 A 80 LEU H A 77 LEU HDx% 1.0 . 5.28 1476 1081 A 78 ASP H A 78 ASP HBx 1.0 . 3.52 1477 1081 A 78 ASP H A 78 ASP HBy 1.0 . 3.52 1478 1082 A 79 SER H A 78 ASP HBx 1.0 . 3.67 1479 1082 A 79 SER H A 78 ASP HBy 1.0 . 3.67 1480 1083 A 79 SER H A 79 SER HBx 1.0 . 3.19 1481 1083 A 79 SER H A 79 SER HBy 1.0 . 3.19 1482 1084 A 79 SER H A 81 LEU HDy% 1.0 . 5.44 1483 1084 A 79 SER H A 81 LEU HDx% 1.0 . 5.44 1484 1085 A 79 SER HA A 82 GLN HBx 1.0 . 3.47 1485 1085 A 79 SER HA A 82 GLN HBy 1.0 . 3.47 1486 1086 A 80 LEU H A 79 SER HBx 1.0 . 3.83 1487 1086 A 80 LEU H A 79 SER HBy 1.0 . 3.83 1488 1087 A 80 LEU H A 81 LEU HDy% 1.0 . 5.44 1489 1087 A 80 LEU H A 81 LEU HDx% 1.0 . 5.44 1490 1088 A 80 LEU HA A 83 ASP HBx 1.0 . 3.61 1491 1088 A 80 LEU HA A 83 ASP HBy 1.0 . 3.61 1492 1089 A 81 LEU H A 81 LEU HDy% 1.0 . 3.19 1493 1089 A 81 LEU H A 81 LEU HDx% 1.0 . 3.19 1494 1090 A 81 LEU H A 82 GLN HBx 1.0 . 4.69 1495 1090 A 81 LEU H A 82 GLN HBy 1.0 . 4.69 1496 1091 A 81 LEU HA A 81 LEU HDy% 1.0 . 2.90 1497 1091 A 81 LEU HA A 81 LEU HDx% 1.0 . 2.90 1498 1092 A 81 LEU HBy A 81 LEU HDy% 1.0 . 2.78 1499 1092 A 81 LEU HBy A 81 LEU HDx% 1.0 . 2.78 1500 1093 A 82 GLN H A 81 LEU HDy% 1.0 . 4.55 1501 1093 A 82 GLN H A 81 LEU HDx% 1.0 . 4.55 1502 1094 A 82 GLN H A 82 GLN HBx 1.0 . 2.93 1503 1094 A 82 GLN H A 82 GLN HBy 1.0 . 2.93 1504 1095 A 82 GLN H A 82 GLN HGx 1.0 . 4.20 1505 1095 A 82 GLN H A 82 GLN HGy 1.0 . 4.20 1506 1096 A 82 GLN HA A 82 GLN HGx 1.0 . 3.37 1507 1096 A 82 GLN HA A 82 GLN HGy 1.0 . 3.37 1508 1097 A 82 GLN HA A 85 HIS HBy 1.0 . 4.65 1509 1097 A 82 GLN HA A 85 HIS HBx 1.0 . 4.65 1510 1098 A 82 GLN HE2y A 82 GLN HBx 1.0 . 3.56 1511 1098 A 82 GLN HE2y A 82 GLN HBy 1.0 . 3.56 1512 1099 A 83 ASP H A 82 GLN HBx 1.0 . 3.12 1513 1099 A 83 ASP H A 82 GLN HBy 1.0 . 3.12 1514 1100 A 82 GLN HBx A 83 ASP HBx 1.0 . 5.18 1515 1100 A 82 GLN HBy A 83 ASP HBx 1.0 . 5.18 1516 1100 A 83 ASP HBy A 82 GLN HBx 1.0 . 5.18 1517 1100 A 83 ASP HBy A 82 GLN HBy 1.0 . 5.18 1518 1101 A 82 GLN HBy A 85 HIS HBy 1.0 . 4.69 1519 1101 A 82 GLN HBx A 85 HIS HBy 1.0 . 4.69 1520 1101 A 85 HIS HBx A 82 GLN HBx 1.0 . 4.69 1521 1101 A 82 GLN HBy A 85 HIS HBx 1.0 . 4.69 1522 1102 A 83 ASP H A 82 GLN HGx 1.0 . 4.63 1523 1102 A 83 ASP H A 82 GLN HGy 1.0 . 4.63 1524 1103 A 83 ASP H A 83 ASP HBx 1.0 . 3.24 1525 1103 A 83 ASP H A 83 ASP HBy 1.0 . 3.24 1526 1104 A 84 VAL H A 83 ASP HBx 1.0 . 4.43 1527 1104 A 84 VAL H A 83 ASP HBy 1.0 . 4.43 1528 1105 A 84 VAL HGx% A 83 ASP HBx 1.0 . 4.10 1529 1105 A 84 VAL HGx% A 83 ASP HBy 1.0 . 4.10 1530 1106 A 84 VAL HGy% A 83 ASP HBx 1.0 . 5.17 1531 1106 A 84 VAL HGy% A 83 ASP HBy 1.0 . 5.17 1532 1107 A 85 HIS H A 85 HIS HBy 1.0 . 3.45 1533 1107 A 85 HIS H A 85 HIS HBx 1.0 . 3.45 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 LYS N A 2 LYS CA A 2 LYS C 1.0 -154.5 -62.6 PHI 2 2 A 2 LYS N A 2 LYS CA A 2 LYS C A 3 GLU N 1.0 82.5 177.9 PSI 3 3 A 2 LYS C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -142.9 -61.1 PHI 4 4 A 3 GLU N A 3 GLU CA A 3 GLU C A 4 ILE N 1.0 106.2 146.1 PSI 5 5 A 3 GLU C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -132.2 -85.4 PHI 6 6 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 ILE N 1.0 116.5 136.6 PSI 7 7 A 4 ILE C A 5 ILE N A 5 ILE CA A 5 ILE C 1.0 -143.3 -96.5 PHI 8 8 A 5 ILE N A 5 ILE CA A 5 ILE C A 6 LEU N 1.0 112.2 150.6 PSI 9 9 A 5 ILE C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -151.3 -83.2 PHI 10 10 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 TYR N 1.0 114.5 150.8 PSI 11 11 A 6 LEU C A 7 TYR N A 7 TYR CA A 7 TYR C 1.0 -166.1 -45.0 PHI 12 12 A 7 TYR N A 7 TYR CA A 7 TYR C A 8 THR N 1.0 108.0 173.1 PSI 13 13 A 7 TYR C A 8 THR N A 8 THR CA A 8 THR C 1.0 -182.8 -88.4 PHI 14 14 A 8 THR N A 8 THR CA A 8 THR C A 9 ARG N 1.0 136.8 180.2 PSI 15 15 A 8 THR C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -169.5 -88.4 PHI 16 16 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 PRO N 1.0 90.0 194.3 PSI 17 17 A 11 ASN C A 12 CYS N A 12 CYS CA A 12 CYS C 1.0 -164.0 -59.8 PHI 18 18 A 12 CYS N A 12 CYS CA A 12 CYS C A 13 PRO N 1.0 52.2 182.6 PSI 19 19 A 14 TYR C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -80.2 -46.7 PHI 20 20 A 15 CYS N A 15 CYS CA A 15 CYS C A 16 LYS N 1.0 -56.6 -26.2 PSI 21 21 A 15 CYS C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -70.2 -50.2 PHI 22 22 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 ARG N 1.0 -52.9 -32.9 PSI 23 23 A 16 LYS C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -79.8 -54.6 PHI 24 24 A 17 ARG N A 17 ARG CA A 17 ARG C A 18 ALA N 1.0 -54.7 -23.5 PSI 25 25 A 17 ARG C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -78.7 -58.6 PHI 26 26 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 ARG N 1.0 -53.4 -33.4 PSI 27 27 A 18 ALA C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -71.1 -48.3 PHI 28 28 A 19 ARG N A 19 ARG CA A 19 ARG C A 20 ASP N 1.0 -59.9 -31.3 PSI 29 29 A 19 ARG C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -74.7 -47.2 PHI 30 30 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 LEU N 1.0 -48.7 -24.3 PSI 31 31 A 20 ASP C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -78.1 -51.8 PHI 32 32 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 LEU N 1.0 -53.1 -33.1 PSI 33 33 A 21 LEU C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -72.2 -52.2 PHI 34 34 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 ASP N 1.0 -57.5 -23.4 PSI 35 35 A 22 LEU C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -75.1 -51.4 PHI 36 36 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 LYS N 1.0 -50.7 -25.4 PSI 37 37 A 23 ASP C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -77.5 -55.5 PHI 38 38 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 LYS N 1.0 -41.2 -5.5 PSI 39 39 A 24 LYS C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -105.5 -71.8 PHI 40 40 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 GLY N 1.0 -30.2 28.1 PSI 41 41 A 25 LYS C A 26 GLY N A 26 GLY CA A 26 GLY C 1.0 46.2 109.9 PHI 42 42 A 26 GLY N A 26 GLY CA A 26 GLY C A 27 VAL N 1.0 -15.1 60.8 PSI 43 43 A 26 GLY C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -161.3 -51.6 PHI 44 44 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 LYS N 1.0 96.2 191.7 PSI 45 45 A 28 LYS C A 29 TYR N A 29 TYR CA A 29 TYR C 1.0 -189.8 -81.0 PHI 46 46 A 29 TYR N A 29 TYR CA A 29 TYR C A 30 THR N 1.0 121.1 179.8 PSI 47 47 A 29 TYR C A 30 THR N A 30 THR CA A 30 THR C 1.0 -147.2 -75.5 PHI 48 48 A 30 THR N A 30 THR CA A 30 THR C A 31 ASP N 1.0 93.9 154.0 PSI 49 49 A 30 THR C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -121.5 -75.6 PHI 50 50 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 ILE N 1.0 111.9 140.1 PSI 51 51 A 31 ASP C A 32 ILE N A 32 ILE CA A 32 ILE C 1.0 -131.5 -95.2 PHI 52 52 A 32 ILE N A 32 ILE CA A 32 ILE C A 33 ASP N 1.0 117.5 137.5 PSI 53 53 A 32 ILE C A 33 ASP N A 33 ASP CA A 33 ASP C 1.0 -121.2 -50.0 PHI 54 54 A 33 ASP N A 33 ASP CA A 33 ASP C A 34 ALA N 1.0 90.7 142.1 PSI 55 55 A 36 THR C A 37 SER N A 37 SER CA A 37 SER C 1.0 -69.9 -49.9 PHI 56 56 A 37 SER N A 37 SER CA A 37 SER C A 38 LEU N 1.0 -31.1 -11.1 PSI 57 57 A 38 LEU C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -76.2 -44.9 PHI 58 58 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 GLN N 1.0 -69.9 -1.1 PSI 59 59 A 39 ARG C A 40 GLN N A 40 GLN CA A 40 GLN C 1.0 -83.9 -43.4 PHI 60 60 A 40 GLN N A 40 GLN CA A 40 GLN C A 41 GLU N 1.0 -45.5 -25.5 PSI 61 61 A 40 GLN C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -84.5 -48.2 PHI 62 62 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 MET N 1.0 -67.2 -8.4 PSI 63 63 A 41 GLU C A 42 MET N A 42 MET CA A 42 MET C 1.0 -75.7 -51.1 PHI 64 64 A 42 MET N A 42 MET CA A 42 MET C A 43 VAL N 1.0 -50.1 -20.8 PSI 65 65 A 42 MET C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -86.7 -48.6 PHI 66 66 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 GLN N 1.0 -58.8 -30.4 PSI 67 67 A 43 VAL C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 -74.5 -54.5 PHI 68 68 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 ARG N 1.0 -49.6 -29.6 PSI 69 69 A 44 GLN C A 45 ARG N A 45 ARG CA A 45 ARG C 1.0 -76.9 -51.7 PHI 70 70 A 45 ARG N A 45 ARG CA A 45 ARG C A 46 ALA N 1.0 -58.6 -11.3 PSI 71 71 A 45 ARG C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -122.1 -32.9 PHI 72 72 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 ASN N 1.0 -40.4 7.1 PSI 73 73 A 51 THR C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -151.3 -60.7 PHI 74 74 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 PRO N 1.0 67.0 178.9 PSI 75 75 A 53 PRO C A 54 GLN N A 54 GLN CA A 54 GLN C 1.0 -178.2 -113.7 PHI 76 76 A 54 GLN N A 54 GLN CA A 54 GLN C A 55 ILE N 1.0 135.7 177.3 PSI 77 77 A 54 GLN C A 55 ILE N A 55 ILE CA A 55 ILE C 1.0 -151.5 -97.4 PHI 78 78 A 55 ILE N A 55 ILE CA A 55 ILE C A 56 PHE N 1.0 109.1 151.9 PSI 79 79 A 55 ILE C A 56 PHE N A 56 PHE CA A 56 PHE C 1.0 -140.7 -95.6 PHI 80 80 A 56 PHE N A 56 PHE CA A 56 PHE C A 57 ILE N 1.0 112.9 181.4 PSI 81 81 A 56 PHE C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -163.9 -89.8 PHI 82 82 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 GLY N 1.0 88.0 149.6 PSI 83 83 A 60 TYR C A 61 HIS N A 61 HIS CA A 61 HIS C 1.0 -166.2 -49.6 PHI 84 84 A 61 HIS N A 61 HIS CA A 61 HIS C A 62 VAL N 1.0 94.4 142.4 PSI 85 85 A 65 CYS C A 66 ASP N A 66 ASP CA A 66 ASP C 1.0 -74.3 -54.3 PHI 86 86 A 66 ASP N A 66 ASP CA A 66 ASP C A 67 ASP N 1.0 -46.8 -26.8 PSI 87 87 A 66 ASP C A 67 ASP N A 67 ASP CA A 67 ASP C 1.0 -78.4 -53.1 PHI 88 88 A 67 ASP N A 67 ASP CA A 67 ASP C A 68 LEU N 1.0 -55.1 -26.2 PSI 89 89 A 67 ASP C A 68 LEU N A 68 LEU CA A 68 LEU C 1.0 -73.2 -50.2 PHI 90 90 A 68 LEU N A 68 LEU CA A 68 LEU C A 69 TYR N 1.0 -55.0 -33.5 PSI 91 91 A 68 LEU C A 69 TYR N A 69 TYR CA A 69 TYR C 1.0 -75.2 -48.8 PHI 92 92 A 69 TYR N A 69 TYR CA A 69 TYR C A 70 ALA N 1.0 -52.7 -28.6 PSI 93 93 A 69 TYR C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -72.9 -50.7 PHI 94 94 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 LEU N 1.0 -52.2 -25.2 PSI 95 95 A 70 ALA C A 71 LEU N A 71 LEU CA A 71 LEU C 1.0 -76.5 -48.9 PHI 96 96 A 71 LEU N A 71 LEU CA A 71 LEU C A 72 GLU N 1.0 -58.1 -29.7 PSI 97 97 A 71 LEU C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 -80.3 -58.9 PHI 98 98 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 ASN N 1.0 -59.7 -20.4 PSI 99 99 A 72 GLU C A 73 ASN N A 73 ASN CA A 73 ASN C 1.0 -86.1 -50.6 PHI 100 100 A 73 ASN N A 73 ASN CA A 73 ASN C A 74 LYS N 1.0 -48.3 -7.9 PSI 101 101 A 73 ASN C A 74 LYS N A 74 LYS CA A 74 LYS C 1.0 -110.2 -69.2 PHI 102 102 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 GLY N 1.0 -19.9 18.5 PSI 103 103 A 77 LEU C A 78 ASP N A 78 ASP CA A 78 ASP C 1.0 -77.0 -52.2 PHI 104 104 A 78 ASP N A 78 ASP CA A 78 ASP C A 79 SER N 1.0 -49.8 -28.1 PSI 105 105 A 78 ASP C A 79 SER N A 79 SER CA A 79 SER C 1.0 -83.6 -47.8 PHI 106 106 A 79 SER N A 79 SER CA A 79 SER C A 80 LEU N 1.0 -52.7 -15.4 PSI 107 107 A 79 SER C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -98.2 -55.0 PHI 108 108 A 80 LEU N A 80 LEU CA A 80 LEU C A 81 LEU N 1.0 -52.1 17.2 PSI stop_ save_