data_nef_c17482_2l9q save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 17483 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 SER middle . . 3 A 3 ASP middle . . 4 A 4 ALA middle . . 5 A 5 GLY middle . false 6 A 6 ARG middle . . 7 A 7 LYS middle . . 8 A 8 GLY middle . false 9 A 9 PHE middle . . 10 A 10 GLY middle . false 11 A 11 GLU middle . . 12 A 12 LYS middle . . 13 A 13 ALA middle . . 14 A 14 SER middle . . 15 A 15 GLU middle . . 16 A 16 ALA middle . . 17 A 17 LEU middle . . 18 A 18 LYS middle . . 19 A 19 PRO middle . false 20 A 20 ASP middle . . 21 A 21 SER middle . . 22 A 22 GLN middle . . 23 A 23 LYS middle . . 24 A 24 SER middle . . 25 A 25 TYR middle . . 26 A 26 ALA middle . . 27 A 27 GLU middle . . 28 A 28 GLN middle . . 29 A 29 GLY middle . false 30 A 30 LYS middle . . 31 A 31 GLU middle . . 32 A 32 TYR middle . . 33 A 33 ILE middle . . 34 A 34 THR middle . . 35 A 35 ASP middle . . 36 A 36 LYS middle . . 37 A 37 ALA middle . . 38 A 38 ASP middle . . 39 A 39 LYS middle . . 40 A 40 VAL middle . . 41 A 41 ALA middle . . 42 A 42 GLY middle . false 43 A 43 LYS middle . . 44 A 44 VAL middle . . 45 A 45 GLN middle . . 46 A 46 PRO middle . false 47 A 47 GLU middle . . 48 A 48 ASP middle . . 49 A 49 ASN middle . . 50 A 50 LYS middle . . 51 A 51 GLY middle . false 52 A 52 VAL middle . . 53 A 53 PHE middle . . 54 A 54 GLN middle . . 55 A 55 GLY middle . false 56 A 56 VAL middle . . 57 A 57 HIS middle . . 58 A 58 ASP middle . . 59 A 59 SER middle . . 60 A 60 ALA middle . . 61 A 61 GLU middle . . 62 A 62 LYS middle . . 63 A 63 GLY middle . false 64 A 64 LYS middle . . 65 A 65 ASP middle . . 66 A 66 ASN middle . . 67 A 67 ALA middle . . 68 A 68 GLU middle . . 69 A 69 GLY middle . false 70 A 70 GLN middle . . 71 A 71 GLY middle . false 72 A 72 GLU middle . . 73 A 73 SER middle . . 74 A 74 LEU middle . . 75 A 75 ALA middle . . 76 A 76 ASP middle . . 77 A 77 GLN middle . . 78 A 78 ALA middle . . 79 A 79 ARG middle . . 80 A 80 ASP middle . . 81 A 81 TYR middle . . 82 A 82 MET middle . . 83 A 83 GLY middle . false 84 A 84 ALA middle . . 85 A 85 ALA middle . . 86 A 86 LYS middle . . 87 A 87 SER middle . . 88 A 88 LYS middle . . 89 A 89 LEU middle . . 90 A 90 ASN middle . . 91 A 91 ASP middle . . 92 A 92 ALA middle . . 93 A 93 VAL middle . . 94 A 94 GLU middle . . 95 A 95 TYR middle . . 96 A 96 VAL middle . . 97 A 97 SER middle . . 98 A 98 GLY middle . false 99 A 99 ARG middle . . 100 A 100 VAL middle . . 101 A 101 HIS middle . . 102 A 102 GLY middle . false 103 A 103 GLU middle . . 104 A 104 GLU middle . . 105 A 105 ASP middle . . 106 A 106 PRO middle . false 107 A 107 THR middle . . 108 A 108 LYS middle . . 109 A 109 LYS 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 SER HA H 1 4.546 0.000 A 2 SER HBx H 1 3.852 0.000 A 2 SER HBy H 1 3.945 0.000 A 2 SER CA C 13 58.499 0.000 A 2 SER CB C 13 64.011 0.000 A 3 ASP HA H 1 4.602 0.000 A 3 ASP HBx H 1 2.638 0.000 A 3 ASP HBy H 1 2.695 0.000 A 3 ASP C C 13 176.010 0.000 A 3 ASP CA C 13 54.736 0.000 A 3 ASP CB C 13 41.269 0.000 A 4 ALA H H 1 8.095 0.000 A 4 ALA HA H 1 4.326 0.000 A 4 ALA HB% H 1 1.409 0.000 A 4 ALA C C 13 178.097 0.000 A 4 ALA CA C 13 52.847 0.000 A 4 ALA CB C 13 19.323 0.000 A 4 ALA N N 15 123.253 0.000 A 5 GLY H H 1 8.167 0.000 A 5 GLY HAx H 1 3.945 0.000 A 5 GLY HAy H 1 3.973 0.000 A 5 GLY C C 13 174.828 0.000 A 5 GLY CA C 13 45.448 0.000 A 5 GLY N N 15 107.651 0.000 A 6 ARG H H 1 8.060 0.000 A 6 ARG HA H 1 4.349 0.000 A 6 ARG HBx H 1 1.810 0.000 A 6 ARG HBy H 1 1.924 0.000 A 6 ARG HDy H 1 3.206 0.000 A 6 ARG HDx H 1 3.189 0.000 A 6 ARG HGy H 1 1.677 0.000 A 6 ARG HGx H 1 1.655 0.000 A 6 ARG C C 13 176.562 0.000 A 6 ARG CA C 13 56.399 0.000 A 6 ARG CB C 13 30.831 0.000 A 6 ARG CD C 13 43.544 0.000 A 6 ARG CG C 13 27.408 0.000 A 6 ARG N N 15 120.230 0.000 A 7 LYS H H 1 8.181 0.000 A 7 LYS HA H 1 4.257 0.000 A 7 LYS HBx H 1 1.772 0.000 A 7 LYS HBy H 1 1.790 0.000 A 7 LYS HDx H 1 1.660 0.000 A 7 LYS HDy H 1 1.664 0.000 A 7 LYS HGy H 1 1.469 0.000 A 7 LYS HGx H 1 1.457 0.000 A 7 LYS C C 13 177.010 0.000 A 7 LYS CA C 13 56.920 0.000 A 7 LYS CB C 13 32.831 0.000 A 7 LYS CD C 13 28.911 0.000 A 7 LYS CG C 13 24.882 0.000 A 7 LYS N N 15 121.076 0.000 A 8 GLY H H 1 8.141 0.000 A 8 GLY HAx H 1 3.947 0.000 A 8 GLY HAy H 1 3.971 0.000 A 8 GLY C C 13 174.828 0.000 A 8 GLY CA C 13 45.829 0.000 A 8 GLY N N 15 108.196 0.000 A 9 PHE H H 1 8.072 0.000 A 9 PHE HA H 1 4.392 0.000 A 9 PHE HBx H 1 3.111 0.000 A 9 PHE HBy H 1 3.152 0.000 A 9 PHE C C 13 176.898 0.000 A 9 PHE CA C 13 59.980 0.000 A 9 PHE CB C 13 39.553 0.000 A 9 PHE N N 15 120.374 0.000 A 10 GLY H H 1 8.431 0.000 A 10 GLY HAx H 1 3.708 0.000 A 10 GLY HAy H 1 3.996 0.000 A 10 GLY C C 13 175.441 0.000 A 10 GLY CA C 13 46.822 0.000 A 10 GLY N N 15 107.944 0.000 A 11 GLU H H 1 8.003 0.000 A 11 GLU HA H 1 4.100 0.000 A 11 GLU HBy H 1 2.062 0.000 A 11 GLU HBx H 1 2.060 0.000 A 11 GLU HGy H 1 2.322 0.000 A 11 GLU HGx H 1 2.235 0.000 A 11 GLU C C 13 175.234 0.000 A 11 GLU CA C 13 58.971 0.000 A 11 GLU CB C 13 29.898 0.000 A 11 GLU CG C 13 36.455 0.000 A 11 GLU N N 15 121.098 0.000 A 12 LYS H H 1 7.930 0.000 A 12 LYS HA H 1 4.144 0.000 A 12 LYS HBx H 1 1.840 0.000 A 12 LYS HBy H 1 1.877 0.000 A 12 LYS HDy H 1 1.683 0.000 A 12 LYS HDx H 1 1.653 0.000 A 12 LYS HGx H 1 1.460 0.000 A 12 LYS HGy H 1 1.531 0.000 A 12 LYS C C 13 178.520 0.000 A 12 LYS CA C 13 58.337 0.000 A 12 LYS CB C 13 32.394 0.000 A 12 LYS CD C 13 28.911 0.000 A 12 LYS CG C 13 25.211 0.000 A 12 LYS N N 15 119.103 0.000 A 13 ALA H H 1 8.216 0.000 A 13 ALA HA H 1 4.011 0.000 A 13 ALA HB% H 1 1.323 0.000 A 13 ALA C C 13 178.364 0.000 A 13 ALA CA C 13 54.728 0.000 A 13 ALA CB C 13 18.460 0.000 A 13 ALA N N 15 121.534 0.000 A 14 SER H H 1 8.000 0.000 A 14 SER HA H 1 4.114 0.000 A 14 SER HBx H 1 3.944 0.000 A 14 SER HBy H 1 4.000 0.000 A 14 SER C C 13 176.148 0.000 A 14 SER CA C 13 61.159 0.000 A 14 SER CB C 13 63.250 0.000 A 14 SER N N 15 111.263 0.000 A 15 GLU H H 1 7.724 0.000 A 15 GLU HA H 1 4.166 0.000 A 15 GLU HBx H 1 2.093 0.000 A 15 GLU HBy H 1 2.114 0.000 A 15 GLU HGy H 1 2.396 0.000 A 15 GLU HGx H 1 2.302 0.000 A 15 GLU C C 13 177.493 0.000 A 15 GLU CA C 13 58.013 0.000 A 15 GLU CB C 13 29.941 0.000 A 15 GLU CG C 13 36.379 0.000 A 15 GLU N N 15 119.902 0.000 A 16 ALA H H 1 7.726 0.000 A 16 ALA HA H 1 4.261 0.000 A 16 ALA HB% H 1 1.440 0.000 A 16 ALA C C 13 177.933 0.000 A 16 ALA CA C 13 53.775 0.000 A 16 ALA CB C 13 19.544 0.000 A 16 ALA N N 15 120.687 0.000 A 17 LEU H H 1 7.634 0.000 A 17 LEU HA H 1 4.359 0.000 A 17 LEU HBx H 1 1.602 0.000 A 17 LEU HBy H 1 1.723 0.000 A 17 LEU HDx% H 1 0.867 0.000 A 17 LEU HDy% H 1 0.838 0.000 A 17 LEU HG H 1 1.724 0.000 A 17 LEU C C 13 176.277 0.000 A 17 LEU CA C 13 54.934 0.000 A 17 LEU CB C 13 42.564 0.000 A 17 LEU CD1 C 13 25.538 0.000 A 17 LEU CD2 C 13 23.528 0.000 A 17 LEU CG C 13 27.179 0.000 A 17 LEU N N 15 116.559 0.000 A 18 LYS H H 1 7.761 0.000 A 18 LYS HA H 1 4.567 0.000 A 18 LYS HBx H 1 1.822 0.000 A 18 LYS HBy H 1 1.859 0.000 A 18 LYS HDy H 1 1.691 0.000 A 18 LYS HDx H 1 1.684 0.000 A 18 LYS HE2 H 1 3.003 0.000 A 18 LYS HE3 H 1 3.002 0.000 A 18 LYS HGy H 1 1.485 0.000 A 18 LYS HGx H 1 1.457 0.000 A 18 LYS CA C 13 54.489 0.000 A 18 LYS CB C 13 32.520 0.000 A 18 LYS CD C 13 29.095 0.000 A 18 LYS CE C 13 42.308 0.000 A 18 LYS CG C 13 24.737 0.000 A 18 LYS N N 15 120.269 0.000 A 19 PRO HA H 1 4.443 0.000 A 19 PRO HBx H 1 1.984 0.000 A 19 PRO HBy H 1 2.292 0.000 A 19 PRO HDy H 1 3.813 0.000 A 19 PRO HDx H 1 3.700 0.000 A 19 PRO HGx H 1 1.989 0.000 A 19 PRO HGy H 1 2.053 0.000 A 19 PRO C C 13 176.984 0.000 A 19 PRO CA C 13 63.833 0.000 A 19 PRO CB C 13 32.247 0.000 A 19 PRO CD C 13 50.728 0.000 A 19 PRO CG C 13 27.472 0.000 A 20 ASP H H 1 8.383 0.000 A 20 ASP HA H 1 4.602 0.000 A 20 ASP HBx H 1 2.683 0.000 A 20 ASP HBy H 1 2.732 0.000 A 20 ASP C C 13 176.639 0.000 A 20 ASP CA C 13 54.497 0.000 A 20 ASP CB C 13 41.231 0.000 A 20 ASP N N 15 119.103 0.000 A 21 SER H H 1 8.054 0.000 A 21 SER HA H 1 4.376 0.000 A 21 SER HBx H 1 3.887 0.000 A 21 SER HBy H 1 3.971 0.000 A 21 SER C C 13 174.889 0.000 A 21 SER CA C 13 59.093 0.000 A 21 SER CB C 13 63.860 0.000 A 21 SER N N 15 115.970 0.000 A 22 GLN H H 1 8.452 0.000 A 22 GLN HA H 1 4.278 0.000 A 22 GLN HBx H 1 2.024 0.000 A 22 GLN HBy H 1 2.175 0.000 A 22 GLN HGy H 1 2.358 0.000 A 22 GLN HGx H 1 2.347 0.000 A 22 GLN C C 13 175.984 0.000 A 22 GLN CA C 13 56.739 0.000 A 22 GLN CB C 13 29.191 0.000 A 22 GLN CG C 13 33.922 0.000 A 22 GLN N N 15 120.766 0.000 A 23 LYS H H 1 7.935 0.000 A 23 LYS HA H 1 4.337 0.000 A 23 LYS HBy H 1 1.648 0.000 A 23 LYS HBx H 1 1.640 0.000 A 23 LYS HDx H 1 1.605 0.000 A 23 LYS HDy H 1 1.614 0.000 A 23 LYS HEx H 1 2.941 0.000 A 23 LYS HEy H 1 2.955 0.000 A 23 LYS HGy H 1 1.371 0.000 A 23 LYS HGx H 1 1.342 0.000 A 23 LYS C C 13 176.191 0.000 A 23 LYS CA C 13 56.208 0.000 A 23 LYS CB C 13 33.736 0.000 A 23 LYS CD C 13 29.286 0.000 A 23 LYS CE C 13 42.319 0.000 A 23 LYS CG C 13 24.971 0.000 A 23 LYS N N 15 120.410 0.000 A 24 SER H H 1 8.365 0.000 A 24 SER HA H 1 4.492 0.000 A 24 SER HBx H 1 3.929 0.000 A 24 SER HBy H 1 4.126 0.000 A 24 SER C C 13 175.717 0.000 A 24 SER CA C 13 58.145 0.000 A 24 SER CB C 13 63.815 0.000 A 24 SER N N 15 117.302 0.000 A 25 TYR H H 1 8.205 0.000 A 25 TYR HA H 1 4.382 0.000 A 25 TYR HBx H 1 3.012 0.000 A 25 TYR HBy H 1 3.038 0.000 A 25 TYR C C 13 177.752 0.000 A 25 TYR CA C 13 60.945 0.000 A 25 TYR CB C 13 37.821 0.000 A 25 TYR N N 15 121.904 0.000 A 26 ALA H H 1 8.233 0.000 A 26 ALA HA H 1 4.057 0.000 A 26 ALA HB% H 1 1.487 0.000 A 26 ALA C C 13 179.037 0.000 A 26 ALA CA C 13 55.537 0.000 A 26 ALA CB C 13 18.474 0.000 A 26 ALA N N 15 121.123 0.000 A 27 GLU H H 1 7.922 0.000 A 27 GLU HA H 1 4.017 0.000 A 27 GLU HBx H 1 2.076 0.000 A 27 GLU HBy H 1 2.151 0.000 A 27 GLU HGx H 1 2.285 0.000 A 27 GLU HGy H 1 2.293 0.000 A 27 GLU C C 13 179.166 0.000 A 27 GLU CA C 13 59.478 0.000 A 27 GLU CB C 13 29.866 0.000 A 27 GLU CG C 13 36.551 0.000 A 27 GLU N N 15 117.313 0.000 A 28 GLN H H 1 8.179 0.000 A 28 GLN HA H 1 4.188 0.000 A 28 GLN HBx H 1 2.189 0.000 A 28 GLN HBy H 1 2.201 0.000 A 28 GLN HGx H 1 2.373 0.000 A 28 GLN HGy H 1 2.489 0.000 A 28 GLN C C 13 179.132 0.000 A 28 GLN CA C 13 58.845 0.000 A 28 GLN CB C 13 29.382 0.000 A 28 GLN CG C 13 34.721 0.000 A 28 GLN N N 15 118.602 0.000 A 29 GLY H H 1 8.804 0.000 A 29 GLY HAx H 1 3.691 0.000 A 29 GLY HAy H 1 3.882 0.000 A 29 GLY C C 13 174.518 0.000 A 29 GLY CA C 13 47.586 0.000 A 29 GLY N N 15 107.984 0.000 A 30 LYS H H 1 8.406 0.000 A 30 LYS HA H 1 3.961 0.000 A 30 LYS HBx H 1 1.951 0.000 A 30 LYS HBy H 1 2.022 0.000 A 30 LYS HDx H 1 1.748 0.000 A 30 LYS HDy H 1 1.761 0.000 A 30 LYS HEy H 1 2.967 0.000 A 30 LYS HEx H 1 2.950 0.000 A 30 LYS HGy H 1 1.584 0.000 A 30 LYS HGx H 1 1.428 0.000 A 30 LYS C C 13 178.925 0.000 A 30 LYS CA C 13 60.400 0.000 A 30 LYS CB C 13 32.427 0.000 A 30 LYS CD C 13 29.547 0.000 A 30 LYS CE C 13 42.293 0.000 A 30 LYS CG C 13 25.662 0.000 A 30 LYS N N 15 121.339 0.000 A 31 GLU H H 1 8.090 0.000 A 31 GLU HA H 1 4.040 0.000 A 31 GLU HBy H 1 2.156 0.000 A 31 GLU HBx H 1 2.154 0.000 A 31 GLU HG2 H 1 2.302 0.000 A 31 GLU HG3 H 1 2.302 0.000 A 31 GLU C C 13 177.761 0.000 A 31 GLU CA C 13 59.531 0.000 A 31 GLU CB C 13 29.531 0.000 A 31 GLU CG C 13 36.492 0.000 A 31 GLU N N 15 119.880 0.000 A 32 TYR H H 1 8.052 0.000 A 32 TYR HA H 1 4.271 0.000 A 32 TYR HBx H 1 3.220 0.000 A 32 TYR HBy H 1 3.241 0.000 A 32 TYR C C 13 178.054 0.000 A 32 TYR CA C 13 61.720 0.000 A 32 TYR CB C 13 38.931 0.000 A 32 TYR N N 15 119.786 0.000 A 33 ILE H H 1 8.249 0.000 A 33 ILE HA H 1 3.792 0.000 A 33 ILE HB H 1 2.070 0.000 A 33 ILE HD1% H 1 0.918 0.000 A 33 ILE HG1x H 1 1.423 0.000 A 33 ILE HG1y H 1 1.819 0.000 A 33 ILE HG2% H 1 0.999 0.000 A 33 ILE C C 13 177.519 0.000 A 33 ILE CA C 13 64.019 0.000 A 33 ILE CB C 13 38.111 0.000 A 33 ILE CD1 C 13 13.171 0.000 A 33 ILE CG1 C 13 28.999 0.000 A 33 ILE CG2 C 13 18.082 0.000 A 33 ILE N N 15 116.856 0.000 A 34 THR H H 1 8.254 0.000 A 34 THR HA H 1 3.934 0.000 A 34 THR HB H 1 4.299 0.000 A 34 THR HG2% H 1 1.329 0.000 A 34 THR C C 13 176.579 0.000 A 34 THR CA C 13 66.459 0.000 A 34 THR CB C 13 68.845 0.000 A 34 THR CG2 C 13 21.891 0.000 A 34 THR N N 15 114.203 0.000 A 35 ASP H H 1 7.880 0.000 A 35 ASP HA H 1 4.496 0.000 A 35 ASP HBx H 1 2.645 0.000 A 35 ASP HBy H 1 2.841 0.000 A 35 ASP C C 13 177.933 0.000 A 35 ASP CA C 13 57.062 0.000 A 35 ASP CB C 13 41.828 0.000 A 35 ASP N N 15 121.116 0.000 A 36 LYS H H 1 7.677 0.000 A 36 LYS HA H 1 4.157 0.000 A 36 LYS HBx H 1 1.807 0.000 A 36 LYS HBy H 1 1.833 0.000 A 36 LYS HDx H 1 1.479 0.000 A 36 LYS HDy H 1 1.494 0.000 A 36 LYS HEy H 1 2.963 0.000 A 36 LYS HEx H 1 2.713 0.000 A 36 LYS HGx H 1 1.236 0.000 A 36 LYS HGy H 1 1.444 0.000 A 36 LYS C C 13 177.968 0.000 A 36 LYS CA C 13 56.871 0.000 A 36 LYS CB C 13 31.913 0.000 A 36 LYS CD C 13 27.733 0.000 A 36 LYS CE C 13 42.515 0.000 A 36 LYS CG C 13 24.295 0.000 A 36 LYS N N 15 116.457 0.000 A 37 ALA H H 1 8.296 0.000 A 37 ALA HA H 1 4.005 0.000 A 37 ALA HB% H 1 1.503 0.000 A 37 ALA C C 13 178.795 0.000 A 37 ALA CA C 13 55.331 0.000 A 37 ALA CB C 13 18.474 0.000 A 37 ALA N N 15 121.588 0.000 A 38 ASP H H 1 8.046 0.000 A 38 ASP HA H 1 4.409 0.000 A 38 ASP HBx H 1 2.701 0.000 A 38 ASP HBy H 1 2.811 0.000 A 38 ASP C C 13 178.347 0.000 A 38 ASP CA C 13 56.729 0.000 A 38 ASP CB C 13 41.048 0.000 A 38 ASP N N 15 116.490 0.000 A 39 LYS H H 1 7.757 0.000 A 39 LYS HA H 1 4.148 0.000 A 39 LYS HBx H 1 1.949 0.000 A 39 LYS HBy H 1 1.972 0.000 A 39 LYS HDy H 1 1.826 0.000 A 39 LYS HDx H 1 1.689 0.000 A 39 LYS HEx H 1 2.700 0.000 A 39 LYS HEy H 1 2.955 0.000 A 39 LYS HGx H 1 1.512 0.000 A 39 LYS HGy H 1 1.602 0.000 A 39 LYS C C 13 178.588 0.000 A 39 LYS CA C 13 58.226 0.000 A 39 LYS CB C 13 32.657 0.000 A 39 LYS CD C 13 27.705 0.000 A 39 LYS CE C 13 42.547 0.000 A 39 LYS CG C 13 24.227 0.000 A 39 LYS N N 15 118.627 0.000 A 40 VAL H H 1 7.792 0.000 A 40 VAL HA H 1 3.909 0.000 A 40 VAL HB H 1 2.203 0.000 A 40 VAL HGx% H 1 0.952 0.000 A 40 VAL HGy% H 1 1.022 0.000 A 40 VAL C C 13 176.683 0.000 A 40 VAL CA C 13 64.408 0.000 A 40 VAL CB C 13 32.334 0.000 A 40 VAL CG1 C 13 21.872 0.000 A 40 VAL CG2 C 13 21.978 0.000 A 40 VAL N N 15 116.146 0.000 A 41 ALA H H 1 8.094 0.000 A 41 ALA HA H 1 4.123 0.000 A 41 ALA HB% H 1 1.479 0.000 A 41 ALA C C 13 179.106 0.000 A 41 ALA CA C 13 54.529 0.000 A 41 ALA CB C 13 18.601 0.000 A 41 ALA N N 15 122.561 0.000 A 42 GLY H H 1 8.044 0.000 A 42 GLY HAx H 1 3.940 0.000 A 42 GLY HAy H 1 3.972 0.000 A 42 GLY C C 13 174.941 0.000 A 42 GLY CA C 13 46.027 0.000 A 42 GLY N N 15 105.072 0.000 A 43 LYS H H 1 7.834 0.000 A 43 LYS HA H 1 4.341 0.000 A 43 LYS HBx H 1 1.920 0.000 A 43 LYS HBy H 1 1.936 0.000 A 43 LYS HDx H 1 1.698 0.000 A 43 LYS HDy H 1 1.710 0.000 A 43 LYS HGy H 1 1.504 0.000 A 43 LYS HGx H 1 1.488 0.000 A 43 LYS C C 13 176.631 0.000 A 43 LYS CA C 13 56.797 0.000 A 43 LYS CB C 13 33.396 0.000 A 43 LYS CD C 13 28.866 0.000 A 43 LYS CG C 13 24.946 0.000 A 43 LYS N N 15 119.123 0.000 A 44 VAL H H 1 7.650 0.000 A 44 VAL HA H 1 4.146 0.000 A 44 VAL HB H 1 2.160 0.000 A 44 VAL HGx% H 1 0.956 0.000 A 44 VAL HGy% H 1 0.928 0.000 A 44 VAL C C 13 175.018 0.000 A 44 VAL CA C 13 62.331 0.000 A 44 VAL CB C 13 32.641 0.000 A 44 VAL CG1 C 13 20.871 0.000 A 44 VAL CG2 C 13 21.658 0.000 A 44 VAL N N 15 116.413 0.000 A 45 GLN H H 1 8.154 0.000 A 45 GLN HA H 1 4.659 0.000 A 45 GLN HBy H 1 2.111 0.000 A 45 GLN HBx H 1 1.977 0.000 A 45 GLN HGy H 1 2.356 0.000 A 45 GLN HGx H 1 2.349 0.000 A 45 GLN CA C 13 53.664 0.000 A 45 GLN CB C 13 29.329 0.000 A 45 GLN CG C 13 33.883 0.000 A 45 GLN N N 15 122.078 0.000 A 46 PRO HA H 1 4.433 0.000 A 46 PRO HBx H 1 1.987 0.000 A 46 PRO HBy H 1 2.292 0.000 A 46 PRO HD2 H 1 3.725 0.000 A 46 PRO HD3 H 1 3.725 0.000 A 46 PRO HGx H 1 1.958 0.000 A 46 PRO HGy H 1 2.047 0.000 A 46 PRO C C 13 177.329 0.000 A 46 PRO CA C 13 63.754 0.000 A 46 PRO CB C 13 32.231 0.000 A 46 PRO CD C 13 50.688 0.000 A 46 PRO CG C 13 27.520 0.000 A 47 GLU H H 1 8.491 0.000 A 47 GLU HA H 1 4.211 0.000 A 47 GLU HBx H 1 1.970 0.000 A 47 GLU HBy H 1 2.051 0.000 A 47 GLU HGx H 1 2.265 0.000 A 47 GLU HGy H 1 2.289 0.000 A 47 GLU C C 13 176.484 0.000 A 47 GLU CA C 13 57.468 0.000 A 47 GLU CB C 13 30.329 0.000 A 47 GLU CG C 13 36.414 0.000 A 47 GLU N N 15 119.456 0.000 A 48 ASP H H 1 8.137 0.000 A 48 ASP HA H 1 4.585 0.000 A 48 ASP HBx H 1 2.618 0.000 A 48 ASP HBy H 1 2.721 0.000 A 48 ASP C C 13 175.863 0.000 A 48 ASP CA C 13 54.579 0.000 A 48 ASP CB C 13 41.131 0.000 A 48 ASP N N 15 119.108 0.000 A 49 ASN H H 1 8.173 0.000 A 49 ASN HA H 1 4.665 0.000 A 49 ASN HBx H 1 2.776 0.000 A 49 ASN HBy H 1 2.860 0.000 A 49 ASN C C 13 174.975 0.000 A 49 ASN CA C 13 53.728 0.000 A 49 ASN CB C 13 39.131 0.000 A 49 ASN N N 15 117.714 0.000 A 50 LYS H H 1 8.098 0.000 A 50 LYS HA H 1 4.308 0.000 A 50 LYS HBx H 1 1.813 0.000 A 50 LYS HBy H 1 1.880 0.000 A 50 LYS C C 13 176.950 0.000 A 50 LYS CA C 13 56.828 0.000 A 50 LYS CB C 13 33.031 0.000 A 50 LYS N N 15 120.215 0.000 A 51 GLY H H 1 8.295 0.000 A 51 GLY HAx H 1 4.025 0.000 A 51 GLY HAy H 1 4.053 0.000 A 51 GLY C C 13 175.251 0.000 A 51 GLY CA C 13 45.913 0.000 A 51 GLY N N 15 109.286 0.000 A 52 VAL H H 1 7.940 0.000 A 52 VAL HA H 1 3.864 0.000 A 52 VAL HB H 1 1.916 0.000 A 52 VAL HGx% H 1 0.805 0.000 A 52 VAL HGy% H 1 0.646 0.000 A 52 VAL C C 13 176.372 0.000 A 52 VAL CA C 13 64.346 0.000 A 52 VAL CB C 13 32.230 0.000 A 52 VAL CG1 C 13 21.194 0.000 A 52 VAL CG2 C 13 21.000 0.000 A 52 VAL N N 15 119.528 0.000 A 53 PHE H H 1 8.046 0.000 A 53 PHE HA H 1 4.593 0.000 A 53 PHE HBx H 1 3.065 0.000 A 53 PHE HBy H 1 3.283 0.000 A 53 PHE C C 13 176.441 0.000 A 53 PHE CA C 13 58.676 0.000 A 53 PHE CB C 13 38.635 0.000 A 53 PHE N N 15 118.265 0.000 A 54 GLN H H 1 7.978 0.000 A 54 GLN HA H 1 4.171 0.000 A 54 GLN HBx H 1 2.113 0.000 A 54 GLN HBy H 1 2.141 0.000 A 54 GLN HGx H 1 2.327 0.000 A 54 GLN HGy H 1 2.445 0.000 A 54 GLN C C 13 177.166 0.000 A 54 GLN CA C 13 57.549 0.000 A 54 GLN CB C 13 29.499 0.000 A 54 GLN CG C 13 34.600 0.000 A 54 GLN N N 15 119.441 0.000 A 55 GLY H H 1 8.120 0.000 A 55 GLY HAx H 1 3.954 0.000 A 55 GLY HAy H 1 3.974 0.000 A 55 GLY C C 13 175.294 0.000 A 55 GLY CA C 13 46.188 0.000 A 55 GLY N N 15 107.822 0.000 A 56 VAL H H 1 7.774 0.000 A 56 VAL HA H 1 3.972 0.000 A 56 VAL HB H 1 2.124 0.000 A 56 VAL HGx% H 1 0.967 0.000 A 56 VAL HGy% H 1 0.898 0.000 A 56 VAL C C 13 176.527 0.000 A 56 VAL CA C 13 64.004 0.000 A 56 VAL CB C 13 32.192 0.000 A 56 VAL CG1 C 13 21.424 0.000 A 56 VAL CG2 C 13 21.375 0.000 A 56 VAL N N 15 119.174 0.000 A 57 HIS H H 1 8.201 0.000 A 57 HIS HA H 1 4.542 0.000 A 57 HIS HBx H 1 3.112 0.000 A 57 HIS HBy H 1 3.290 0.000 A 57 HIS CA C 13 56.973 0.000 A 57 HIS CB C 13 29.608 0.000 A 57 HIS N N 15 119.221 0.000 A 58 ASP HA H 1 4.580 0.000 A 58 ASP HBx H 1 2.690 0.000 A 58 ASP HBy H 1 2.711 0.000 A 58 ASP C C 13 177.097 0.000 A 58 ASP CA C 13 55.021 0.000 A 58 ASP CB C 13 41.236 0.000 A 59 SER H H 1 8.134 0.000 A 59 SER HA H 1 4.372 0.000 A 59 SER HBx H 1 3.887 0.000 A 59 SER HBy H 1 3.974 0.000 A 59 SER C C 13 175.087 0.000 A 59 SER CA C 13 59.207 0.000 A 59 SER CB C 13 63.780 0.000 A 59 SER N N 15 116.347 0.000 A 60 ALA H H 1 8.203 0.000 A 60 ALA HA H 1 4.253 0.000 A 60 ALA HB% H 1 1.429 0.000 A 60 ALA C C 13 178.192 0.000 A 60 ALA CA C 13 53.561 0.000 A 60 ALA CB C 13 19.078 0.000 A 60 ALA N N 15 125.097 0.000 A 61 GLU H H 1 8.095 0.000 A 61 GLU HA H 1 4.200 0.000 A 61 GLU HBy H 1 2.077 0.000 A 61 GLU HBx H 1 1.966 0.000 A 61 GLU HGy H 1 2.302 0.000 A 61 GLU HGx H 1 2.267 0.000 A 61 GLU C C 13 177.036 0.000 A 61 GLU CA C 13 57.224 0.000 A 61 GLU CB C 13 30.228 0.000 A 61 GLU CG C 13 36.357 0.000 A 61 GLU N N 15 118.432 0.000 A 62 LYS H H 1 7.969 0.000 A 62 LYS HA H 1 4.297 0.000 A 62 LYS HBx H 1 1.820 0.000 A 62 LYS HBy H 1 1.882 0.000 A 62 LYS HGy H 1 1.379 0.000 A 62 LYS HGx H 1 1.362 0.000 A 62 LYS C C 13 177.450 0.000 A 62 LYS CA C 13 56.826 0.000 A 62 LYS CB C 13 32.943 0.000 A 62 LYS CG C 13 24.875 0.000 A 62 LYS N N 15 120.770 0.000 A 63 GLY H H 1 8.287 0.000 A 63 GLY HAx H 1 3.924 0.000 A 63 GLY HAy H 1 3.962 0.000 A 63 GLY C C 13 174.432 0.000 A 63 GLY CA C 13 45.751 0.000 A 63 GLY N N 15 108.912 0.000 A 64 LYS H H 1 8.019 0.000 A 64 LYS HA H 1 4.298 0.000 A 64 LYS HBx H 1 1.771 0.000 A 64 LYS HBy H 1 1.866 0.000 A 64 LYS HGy H 1 1.409 0.000 A 64 LYS HGx H 1 1.362 0.000 A 64 LYS C C 13 176.622 0.000 A 64 LYS CA C 13 56.731 0.000 A 64 LYS CB C 13 33.117 0.000 A 64 LYS CG C 13 24.882 0.000 A 64 LYS N N 15 120.529 0.000 A 65 ASP H H 1 8.296 0.000 A 65 ASP HA H 1 4.580 0.000 A 65 ASP HBx H 1 2.628 0.000 A 65 ASP HBy H 1 2.703 0.000 A 65 ASP C C 13 176.226 0.000 A 65 ASP CA C 13 54.783 0.000 A 65 ASP CB C 13 41.172 0.000 A 65 ASP N N 15 120.673 0.000 A 66 ASN H H 1 8.212 0.000 A 66 ASN HA H 1 4.690 0.000 A 66 ASN HBx H 1 2.768 0.000 A 66 ASN HBy H 1 2.842 0.000 A 66 ASN C C 13 175.217 0.000 A 66 ASN CA C 13 53.475 0.000 A 66 ASN CB C 13 39.117 0.000 A 66 ASN N N 15 118.902 0.000 A 67 ALA H H 1 8.212 0.000 A 67 ALA HA H 1 4.300 0.000 A 67 ALA HB% H 1 1.400 0.000 A 67 ALA C C 13 177.890 0.000 A 67 ALA CA C 13 53.053 0.000 A 67 ALA CB C 13 19.427 0.000 A 67 ALA N N 15 124.149 0.000 A 68 GLU H H 1 8.286 0.000 A 68 GLU HA H 1 4.271 0.000 A 68 GLU HBx H 1 1.980 0.000 A 68 GLU HBy H 1 2.079 0.000 A 68 GLU HGy H 1 2.298 0.000 A 68 GLU HGx H 1 2.277 0.000 A 68 GLU C C 13 177.243 0.000 A 68 GLU CA C 13 56.797 0.000 A 68 GLU CB C 13 30.159 0.000 A 68 GLU CG C 13 36.362 0.000 A 68 GLU N N 15 119.216 0.000 A 69 GLY H H 1 8.293 0.000 A 69 GLY HAx H 1 3.976 0.000 A 69 GLY HAy H 1 3.996 0.000 A 69 GLY C C 13 174.371 0.000 A 69 GLY CA C 13 45.634 0.000 A 69 GLY N N 15 109.637 0.000 A 70 GLN H H 1 8.201 0.000 A 70 GLN HA H 1 4.393 0.000 A 70 GLN HBx H 1 2.008 0.000 A 70 GLN HBy H 1 2.174 0.000 A 70 GLN HGx H 1 2.358 0.000 A 70 GLN HGy H 1 2.367 0.000 A 70 GLN C C 13 176.502 0.000 A 70 GLN CA C 13 56.046 0.000 A 70 GLN CB C 13 29.627 0.000 A 70 GLN CG C 13 33.911 0.000 A 70 GLN N N 15 119.629 0.000 A 71 GLY H H 1 8.424 0.000 A 71 GLY HAx H 1 3.948 0.000 A 71 GLY HAy H 1 3.972 0.000 A 71 GLY C C 13 173.992 0.000 A 71 GLY CA C 13 45.634 0.000 A 71 GLY N N 15 109.977 0.000 A 72 GLU H H 1 8.244 0.000 A 72 GLU HA H 1 4.411 0.000 A 72 GLU HBx H 1 1.945 0.000 A 72 GLU HBy H 1 2.094 0.000 A 72 GLU HGy H 1 2.278 0.000 A 72 GLU HGx H 1 2.262 0.000 A 72 GLU C C 13 176.639 0.000 A 72 GLU CA C 13 56.618 0.000 A 72 GLU CB C 13 30.731 0.000 A 72 GLU CG C 13 36.325 0.000 A 72 GLU N N 15 120.532 0.000 A 73 SER H H 1 8.689 0.000 A 73 SER HA H 1 4.589 0.000 A 73 SER HBx H 1 3.991 0.000 A 73 SER HBy H 1 4.221 0.000 A 73 SER C C 13 175.475 0.000 A 73 SER CA C 13 58.064 0.000 A 73 SER CB C 13 64.761 0.000 A 73 SER N N 15 117.827 0.000 A 74 LEU H H 1 8.514 0.000 A 74 LEU HA H 1 4.201 0.000 A 74 LEU HBx H 1 1.608 0.000 A 74 LEU HBy H 1 1.825 0.000 A 74 LEU HDx% H 1 0.981 0.000 A 74 LEU HDy% H 1 0.923 0.000 A 74 LEU HG H 1 1.746 0.000 A 74 LEU C C 13 178.735 0.000 A 74 LEU CA C 13 57.895 0.000 A 74 LEU CB C 13 41.934 0.000 A 74 LEU CD1 C 13 24.955 0.000 A 74 LEU CD2 C 13 24.339 0.000 A 74 LEU CG C 13 27.403 0.000 A 74 LEU N N 15 124.414 0.000 A 75 ALA H H 1 8.160 0.000 A 75 ALA HA H 1 3.990 0.000 A 75 ALA HB% H 1 1.429 0.000 A 75 ALA C C 13 179.046 0.000 A 75 ALA CA C 13 55.267 0.000 A 75 ALA CB C 13 18.594 0.000 A 75 ALA N N 15 120.291 0.000 A 76 ASP H H 1 7.773 0.000 A 76 ASP HA H 1 4.406 0.000 A 76 ASP HBx H 1 2.740 0.000 A 76 ASP HBy H 1 2.809 0.000 A 76 ASP C C 13 178.476 0.000 A 76 ASP CA C 13 57.133 0.000 A 76 ASP CB C 13 40.652 0.000 A 76 ASP N N 15 117.288 0.000 A 77 GLN H H 1 7.994 0.000 A 77 GLN HA H 1 4.162 0.000 A 77 GLN HBx H 1 2.162 0.000 A 77 GLN HBy H 1 2.169 0.000 A 77 GLN HGy H 1 2.311 0.000 A 77 GLN HGx H 1 2.306 0.000 A 77 GLN C C 13 178.037 0.000 A 77 GLN CA C 13 58.381 0.000 A 77 GLN CB C 13 29.480 0.000 A 77 GLN CG C 13 34.640 0.000 A 77 GLN N N 15 119.454 0.000 A 78 ALA H H 1 8.498 0.000 A 78 ALA HA H 1 4.149 0.000 A 78 ALA HB% H 1 1.500 0.000 A 78 ALA C C 13 178.977 0.000 A 78 ALA CA C 13 55.131 0.000 A 78 ALA CB C 13 18.655 0.000 A 78 ALA N N 15 121.577 0.000 A 79 ARG H H 1 8.101 0.000 A 79 ARG HA H 1 4.012 0.000 A 79 ARG HBx H 1 1.922 0.000 A 79 ARG HBy H 1 1.972 0.000 A 79 ARG HDy H 1 3.281 0.000 A 79 ARG HDx H 1 3.233 0.000 A 79 ARG HGx H 1 1.643 0.000 A 79 ARG HGy H 1 1.875 0.000 A 79 ARG C C 13 175.449 0.000 A 79 ARG CA C 13 59.503 0.000 A 79 ARG CB C 13 30.146 0.000 A 79 ARG CD C 13 43.481 0.000 A 79 ARG CG C 13 28.414 0.000 A 79 ARG N N 15 117.138 0.000 A 80 ASP H H 1 8.000 0.000 A 80 ASP HA H 1 4.513 0.000 A 80 ASP HBx H 1 2.612 0.000 A 80 ASP HBy H 1 2.708 0.000 A 80 ASP C C 13 178.882 0.000 A 80 ASP CA C 13 56.876 0.000 A 80 ASP CB C 13 40.328 0.000 A 80 ASP N N 15 120.784 0.000 A 81 TYR H H 1 8.127 0.000 A 81 TYR HA H 1 4.431 0.000 A 81 TYR HBx H 1 3.092 0.000 A 81 TYR HBy H 1 3.104 0.000 A 81 TYR C C 13 177.855 0.000 A 81 TYR CA C 13 60.834 0.000 A 81 TYR CB C 13 38.478 0.000 A 81 TYR N N 15 120.298 0.000 A 82 MET H H 1 8.382 0.000 A 82 MET HA H 1 4.239 0.000 A 82 MET HBx H 1 2.186 0.000 A 82 MET HBy H 1 2.262 0.000 A 82 MET HGx H 1 2.612 0.000 A 82 MET HGy H 1 2.743 0.000 A 82 MET C C 13 178.175 0.000 A 82 MET CA C 13 58.757 0.000 A 82 MET CB C 13 32.631 0.000 A 82 MET CG C 13 32.969 0.000 A 82 MET N N 15 118.452 0.000 A 83 GLY H H 1 8.308 0.000 A 83 GLY HAx H 1 3.863 0.000 A 83 GLY HAy H 1 4.014 0.000 A 83 GLY C C 13 176.717 0.000 A 83 GLY CA C 13 47.331 0.000 A 83 GLY N N 15 106.740 0.000 A 84 ALA H H 1 7.905 0.000 A 84 ALA HA H 1 4.287 0.000 A 84 ALA HB% H 1 1.576 0.000 A 84 ALA C C 13 180.149 0.000 A 84 ALA CA C 13 54.648 0.000 A 84 ALA CB C 13 18.541 0.000 A 84 ALA N N 15 125.357 0.000 A 85 ALA H H 1 8.341 0.000 A 85 ALA HA H 1 4.025 0.000 A 85 ALA HB% H 1 1.525 0.000 A 85 ALA C C 13 178.847 0.000 A 85 ALA CA C 13 55.283 0.000 A 85 ALA CB C 13 18.487 0.000 A 85 ALA N N 15 121.332 0.000 A 86 LYS H H 1 8.360 0.000 A 86 LYS HA H 1 3.872 0.000 A 86 LYS HBx H 1 1.956 0.000 A 86 LYS HBy H 1 2.028 0.000 A 86 LYS HDy H 1 1.800 0.000 A 86 LYS HDx H 1 1.743 0.000 A 86 LYS HGy H 1 1.607 0.000 A 86 LYS HGx H 1 1.515 0.000 A 86 LYS C C 13 178.485 0.000 A 86 LYS CA C 13 60.193 0.000 A 86 LYS CB C 13 32.331 0.000 A 86 LYS CD C 13 29.568 0.000 A 86 LYS CG C 13 25.376 0.000 A 86 LYS N N 15 116.980 0.000 A 87 SER H H 1 7.863 0.000 A 87 SER HA H 1 4.299 0.000 A 87 SER HBy H 1 4.056 0.000 A 87 SER HBx H 1 4.042 0.000 A 87 SER C C 13 176.467 0.000 A 87 SER CA C 13 61.614 0.000 A 87 SER CB C 13 63.064 0.000 A 87 SER N N 15 113.632 0.000 A 88 LYS H H 1 7.843 0.000 A 88 LYS HA H 1 4.345 0.000 A 88 LYS HBx H 1 1.929 0.000 A 88 LYS HBy H 1 2.012 0.000 A 88 LYS HDx H 1 1.710 0.000 A 88 LYS HDy H 1 1.808 0.000 A 88 LYS HEx H 1 2.990 0.000 A 88 LYS HEy H 1 2.998 0.000 A 88 LYS HGy H 1 1.615 0.000 A 88 LYS HGx H 1 1.569 0.000 A 88 LYS C C 13 178.502 0.000 A 88 LYS CA C 13 57.696 0.000 A 88 LYS CB C 13 32.011 0.000 A 88 LYS CD C 13 28.366 0.000 A 88 LYS CE C 13 42.349 0.000 A 88 LYS CG C 13 24.875 0.000 A 88 LYS N N 15 120.925 0.000 A 89 LEU H H 1 8.174 0.000 A 89 LEU HA H 1 4.105 0.000 A 89 LEU HBy H 1 1.822 0.000 A 89 LEU HBx H 1 1.812 0.000 A 89 LEU HDx% H 1 0.932 0.000 A 89 LEU HDy% H 1 0.920 0.000 A 89 LEU HG H 1 1.808 0.000 A 89 LEU C C 13 178.209 0.000 A 89 LEU CA C 13 58.197 0.000 A 89 LEU CB C 13 41.631 0.000 A 89 LEU CD1 C 13 24.760 0.000 A 89 LEU CD2 C 13 24.711 0.000 A 89 LEU CG C 13 27.169 0.000 A 89 LEU N N 15 119.955 0.000 A 90 ASN H H 1 8.223 0.000 A 90 ASN HA H 1 4.393 0.000 A 90 ASN HBy H 1 2.947 0.000 A 90 ASN HBx H 1 2.927 0.000 A 90 ASN C C 13 174.164 0.000 A 90 ASN CA C 13 57.166 0.000 A 90 ASN CB C 13 38.952 0.000 A 90 ASN N N 15 117.013 0.000 A 91 ASP H H 1 8.043 0.000 A 91 ASP HA H 1 4.457 0.000 A 91 ASP HBy H 1 2.945 0.000 A 91 ASP HBx H 1 2.737 0.000 A 91 ASP C C 13 178.804 0.000 A 91 ASP CA C 13 57.438 0.000 A 91 ASP CB C 13 40.179 0.000 A 91 ASP N N 15 119.959 0.000 A 92 ALA H H 1 8.256 0.000 A 92 ALA HA H 1 4.203 0.000 A 92 ALA HB% H 1 1.594 0.000 A 92 ALA C C 13 178.951 0.000 A 92 ALA CA C 13 55.537 0.000 A 92 ALA CB C 13 18.504 0.000 A 92 ALA N N 15 123.900 0.000 A 93 VAL H H 1 8.449 0.000 A 93 VAL HA H 1 3.594 0.000 A 93 VAL HB H 1 2.311 0.000 A 93 VAL HGx% H 1 1.141 0.000 A 93 VAL HGy% H 1 1.006 0.000 A 93 VAL C C 13 178.761 0.000 A 93 VAL CA C 13 67.157 0.000 A 93 VAL CB C 13 31.795 0.000 A 93 VAL CG1 C 13 23.139 0.000 A 93 VAL CG2 C 13 21.432 0.000 A 93 VAL N N 15 118.228 0.000 A 94 GLU H H 1 8.175 0.000 A 94 GLU HA H 1 4.045 0.000 A 94 GLU HBy H 1 2.162 0.000 A 94 GLU HBx H 1 2.154 0.000 A 94 GLU HGx H 1 2.280 0.000 A 94 GLU HGy H 1 2.443 0.000 A 94 GLU C C 13 179.347 0.000 A 94 GLU CA C 13 59.631 0.000 A 94 GLU CB C 13 29.531 0.000 A 94 GLU CG C 13 36.502 0.000 A 94 GLU N N 15 120.485 0.000 A 95 TYR H H 1 8.197 0.000 A 95 TYR HA H 1 4.228 0.000 A 95 TYR HBx H 1 3.260 0.000 A 95 TYR HBy H 1 3.272 0.000 A 95 TYR C C 13 178.407 0.000 A 95 TYR CA C 13 61.561 0.000 A 95 TYR CB C 13 38.631 0.000 A 95 TYR N N 15 120.806 0.000 A 96 VAL H H 1 8.525 0.000 A 96 VAL HA H 1 3.483 0.000 A 96 VAL HB H 1 2.222 0.000 A 96 VAL HGx% H 1 1.229 0.000 A 96 VAL HGy% H 1 0.999 0.000 A 96 VAL C C 13 177.752 0.000 A 96 VAL CA C 13 66.680 0.000 A 96 VAL CB C 13 32.022 0.000 A 96 VAL CG1 C 13 23.253 0.000 A 96 VAL CG2 C 13 22.260 0.000 A 96 VAL N N 15 118.584 0.000 A 97 SER H H 1 8.642 0.000 A 97 SER HA H 1 4.080 0.000 A 97 SER HBy H 1 3.989 0.000 A 97 SER HBx H 1 3.975 0.000 A 97 SER C C 13 176.803 0.000 A 97 SER CA C 13 61.800 0.000 A 97 SER CB C 13 63.258 0.000 A 97 SER N N 15 114.566 0.000 A 98 GLY H H 1 7.926 0.000 A 98 GLY HAx H 1 3.898 0.000 A 98 GLY HAy H 1 3.971 0.000 A 98 GLY C C 13 175.553 0.000 A 98 GLY CA C 13 46.556 0.000 A 98 GLY N N 15 107.586 0.000 A 99 ARG H H 1 7.611 0.000 A 99 ARG HA H 1 4.203 0.000 A 99 ARG HBx H 1 1.772 0.000 A 99 ARG HBy H 1 1.860 0.000 A 99 ARG HDx H 1 2.967 0.000 A 99 ARG HDy H 1 3.095 0.000 A 99 ARG HGx H 1 1.496 0.000 A 99 ARG HGy H 1 1.499 0.000 A 99 ARG C C 13 177.830 0.000 A 99 ARG CA C 13 57.129 0.000 A 99 ARG CB C 13 30.212 0.000 A 99 ARG CD C 13 42.747 0.000 A 99 ARG CG C 13 27.128 0.000 A 99 ARG N N 15 119.948 0.000 A 100 VAL H H 1 7.906 0.000 A 100 VAL HA H 1 3.940 0.000 A 100 VAL HB H 1 2.018 0.000 A 100 VAL HGx% H 1 0.894 0.000 A 100 VAL HGy% H 1 0.762 0.000 A 100 VAL C C 13 176.381 0.000 A 100 VAL CA C 13 63.931 0.000 A 100 VAL CB C 13 32.331 0.000 A 100 VAL CG1 C 13 21.296 0.000 A 100 VAL CG2 C 13 21.179 0.000 A 100 VAL N N 15 116.709 0.000 A 101 HIS H H 1 8.061 0.000 A 101 HIS HA H 1 4.775 0.000 A 101 HIS HBx H 1 3.193 0.000 A 101 HIS HBy H 1 3.340 0.000 A 101 HIS C C 13 175.484 0.000 A 101 HIS CA C 13 55.862 0.000 A 101 HIS CB C 13 29.517 0.000 A 101 HIS N N 15 117.584 0.000 A 102 GLY H H 1 7.990 0.000 A 102 GLY HAx H 1 3.968 0.000 A 102 GLY HAy H 1 4.053 0.000 A 102 GLY C C 13 174.121 0.000 A 102 GLY CA C 13 45.719 0.000 A 102 GLY N N 15 109.164 0.000 A 103 GLU H H 1 8.320 0.000 A 103 GLU HA H 1 4.315 0.000 A 103 GLU HBx H 1 1.904 0.000 A 103 GLU HBy H 1 2.050 0.000 A 103 GLU HGy H 1 2.292 0.000 A 103 GLU HGx H 1 2.286 0.000 A 103 GLU C C 13 176.467 0.000 A 103 GLU CA C 13 56.451 0.000 A 103 GLU CB C 13 30.731 0.000 A 103 GLU CG C 13 36.353 0.000 A 103 GLU N N 15 120.493 0.000 A 104 GLU H H 1 8.358 0.000 A 104 GLU HA H 1 4.263 0.000 A 104 GLU HBx H 1 1.912 0.000 A 104 GLU HBy H 1 2.001 0.000 A 104 GLU C C 13 175.820 0.000 A 104 GLU CA C 13 56.480 0.000 A 104 GLU CB C 13 30.654 0.000 A 104 GLU N N 15 122.018 0.000 A 105 ASP H H 1 8.350 0.000 A 105 ASP HA H 1 4.898 0.000 A 105 ASP HBy H 1 2.796 0.000 A 105 ASP HBx H 1 2.585 0.000 A 105 ASP CA C 13 51.728 0.000 A 105 ASP CB C 13 41.614 0.000 A 105 ASP N N 15 122.625 0.000 A 106 PRO HA H 1 4.466 0.000 A 106 PRO HBx H 1 2.027 0.000 A 106 PRO HBy H 1 2.316 0.000 A 106 PRO HDy H 1 3.906 0.000 A 106 PRO HDx H 1 3.896 0.000 A 106 PRO HGx H 1 1.996 0.000 A 106 PRO HGy H 1 2.052 0.000 A 106 PRO C C 13 177.605 0.000 A 106 PRO CA C 13 63.921 0.000 A 106 PRO CB C 13 32.296 0.000 A 106 PRO CD C 13 51.021 0.000 A 106 PRO CG C 13 27.068 0.000 A 107 THR H H 1 8.355 0.000 A 107 THR HA H 1 4.281 0.000 A 107 THR HB H 1 4.262 0.000 A 107 THR HG2% H 1 1.236 0.000 A 107 THR C C 13 174.889 0.000 A 107 THR CA C 13 62.896 0.000 A 107 THR CB C 13 69.593 0.000 A 107 THR CG2 C 13 21.843 0.000 A 107 THR N N 15 111.954 0.000 A 108 LYS H H 1 7.739 0.000 A 108 LYS HA H 1 4.355 0.000 A 108 LYS HBx H 1 1.751 0.000 A 108 LYS HBy H 1 1.912 0.000 A 108 LYS HGx H 1 1.371 0.000 A 108 LYS HGy H 1 1.407 0.000 A 108 LYS C C 13 175.406 0.000 A 108 LYS CA C 13 56.252 0.000 A 108 LYS CB C 13 32.964 0.000 A 108 LYS CG C 13 24.857 0.000 A 108 LYS N N 15 123.177 0.000 A 109 LYS H H 1 7.653 0.000 A 109 LYS HBy H 1 1.820 0.000 A 109 LYS HBx H 1 1.695 0.000 A 109 LYS HGy H 1 1.379 0.000 A 109 LYS HGx H 1 1.362 0.000 A 109 LYS CB C 13 33.856 0.000 A 109 LYS CG C 13 24.839 0.000 A 109 LYS N N 15 127.535 0.000 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 6 ARG HA A 6 ARG HGy 1.0 . 3.50 2 2 A 6 ARG HDy A 6 ARG HBy 1.0 . 4.02 3 3 A 6 ARG HA A 6 ARG HGx 1.0 . 3.50 4 4 A 6 ARG HA A 6 ARG HDy 1.0 . 4.60 5 5 A 6 ARG HBx A 6 ARG HDy 1.0 . 4.02 6 6 A 6 ARG HA A 6 ARG HDx 1.0 . 4.60 7 7 A 6 ARG HBx A 6 ARG HDx 1.0 . 4.02 8 8 A 6 ARG HBy A 6 ARG HDx 1.0 . 4.02 9 9 A 9 PHE HA A 9 PHE HD% 1.0 . 3.67 10 10 A 9 PHE H A 9 PHE HBx 1.0 . 3.15 11 11 A 9 PHE H A 9 PHE HBy 1.0 . 3.15 12 12 A 10 GLY H A 10 GLY HAy 1.0 . 2.87 13 13 A 11 GLU HA A 11 GLU HGy 1.0 . 3.61 14 14 A 11 GLU HA A 11 GLU HGx 1.0 . 3.61 15 15 A 12 LYS HA A 12 LYS HGx 1.0 . 3.71 16 16 A 12 LYS HA A 12 LYS HDx 1.0 . 4.15 17 17 A 12 LYS H A 12 LYS HBx 1.0 . 3.40 18 18 A 12 LYS HBx A 12 LYS HDy 1.0 . 4.17 19 19 A 12 LYS HBx A 12 LYS HDx 1.0 . 4.17 20 20 A 12 LYS H A 12 LYS HBy 1.0 . 3.40 21 21 A 12 LYS HDy A 12 LYS HBy 1.0 . 4.17 22 22 A 12 LYS HBy A 12 LYS HDx 1.0 . 4.17 23 23 A 12 LYS H A 12 LYS HGx 1.0 . 3.72 24 24 A 12 LYS HA A 12 LYS HGy 1.0 . 3.71 25 25 A 12 LYS HA A 12 LYS HDy 1.0 . 4.15 26 26 A 13 ALA H A 13 ALA HB% 1.0 . 2.57 27 27 A 15 GLU HA A 15 GLU HGx 1.0 . 3.67 28 28 A 15 GLU H A 15 GLU HBy 1.0 . 3.99 29 29 A 15 GLU H A 15 GLU HGy 1.0 . 3.54 30 30 A 15 GLU HA A 15 GLU HGy 1.0 . 3.67 31 31 A 15 GLU H A 15 GLU HGx 1.0 . 3.54 32 32 A 17 LEU HA A 17 LEU HG 1.0 . 3.67 33 33 A 17 LEU HA A 17 LEU HDx% 1.0 . 4.36 34 34 A 17 LEU HBx A 17 LEU HDx% 1.0 . 3.30 35 35 A 17 LEU HG A 17 LEU H 1.0 . 3.58 36 36 A 17 LEU H A 17 LEU HDx% 1.0 . 4.10 37 37 A 17 LEU HBy A 17 LEU HDx% 1.0 . 3.30 38 38 A 17 LEU H A 17 LEU HDy% 1.0 . 4.10 39 39 A 17 LEU HDy% A 17 LEU HBx 1.0 . 3.30 40 40 A 17 LEU HDy% A 17 LEU HBy 1.0 . 3.30 41 41 A 17 LEU HG A 18 LYS HA 1.0 . 4.44 42 42 A 18 LYS HA A 18 LYS HDy 1.0 . 4.95 43 43 A 18 LYS HA A 18 LYS HDx 1.0 . 4.95 44 44 A 20 ASP H A 20 ASP HBy 1.0 . 3.65 45 45 A 21 SER HA A 21 SER HBx 1.0 . 2.97 46 46 A 21 SER HA A 21 SER HBy 1.0 . 2.97 47 47 A 22 GLN HA A 22 GLN HGy 1.0 . 3.99 48 48 A 22 GLN HA A 22 GLN HGx 1.0 . 3.99 49 49 A 23 LYS H A 23 LYS HBy 1.0 . 3.74 50 50 A 23 LYS HBy A 23 LYS HEx 1.0 . 5.31 51 51 A 23 LYS HBy A 23 LYS HEy 1.0 . 5.31 52 52 A 23 LYS H A 23 LYS HBx 1.0 . 3.74 53 53 A 23 LYS HEx A 23 LYS HBx 1.0 . 5.31 54 54 A 23 LYS HBx A 23 LYS HEy 1.0 . 5.31 55 55 A 25 TYR HA A 25 TYR HD% 1.0 . 3.38 56 56 A 25 TYR H A 25 TYR HBx 1.0 . 3.44 57 57 A 25 TYR H A 25 TYR HBy 1.0 . 3.44 58 58 A 27 GLU HA A 27 GLU HGx 1.0 . 3.62 59 59 A 27 GLU HA A 27 GLU HGy 1.0 . 3.62 60 60 A 27 GLU H A 27 GLU HBx 1.0 . 3.30 61 61 A 27 GLU H A 27 GLU HBy 1.0 . 3.30 62 62 A 28 GLN HA A 28 GLN HBy 1.0 . 2.93 63 63 A 28 GLN HBy A 28 GLN H 1.0 . 3.53 64 64 A 28 GLN HBy A 28 GLN HGy 1.0 . 2.86 65 65 A 28 GLN H A 28 GLN HGy 1.0 . 3.47 66 66 A 28 GLN HA A 28 GLN HGy 1.0 . 3.25 67 67 A 28 GLN HGy A 28 GLN HBx 1.0 . 3.00 68 68 A 28 GLN HA A 28 GLN HGx 1.0 . 3.30 69 69 A 28 GLN HBx A 28 GLN HGx 1.0 . 2.94 70 70 A 30 LYS HA A 30 LYS HBy 1.0 . 2.92 71 71 A 30 LYS HA A 30 LYS HDx 1.0 . 5.01 72 72 A 30 LYS H A 30 LYS HBx 1.0 . 2.98 73 73 A 30 LYS HBx A 30 LYS HDy 1.0 . 3.95 74 74 A 30 LYS HBx A 30 LYS HEx 1.0 . 5.30 75 75 A 30 LYS HBy A 30 LYS H 1.0 . 3.82 76 76 A 30 LYS HBy A 30 LYS HDx 1.0 . 3.91 77 77 A 30 LYS HBy A 30 LYS HDy 1.0 . 3.91 78 78 A 30 LYS HBy A 30 LYS HEy 1.0 . 4.75 79 79 A 30 LYS HA A 30 LYS HGy 1.0 . 3.51 80 80 A 30 LYS HA A 30 LYS HGx 1.0 . 3.44 81 81 A 30 LYS HBx A 30 LYS HDx 1.0 . 3.95 82 82 A 30 LYS H A 30 LYS HDx 1.0 . 4.79 83 83 A 30 LYS HA A 30 LYS HDy 1.0 . 5.01 84 84 A 30 LYS HBx A 30 LYS HEy 1.0 . 5.30 85 85 A 30 LYS HBy A 30 LYS HEx 1.0 . 4.75 86 86 A 32 TYR HA A 32 TYR HD% 1.0 . 3.45 87 87 A 32 TYR H A 32 TYR HBx 1.0 . 3.18 88 88 A 32 TYR H A 32 TYR HBy 1.0 . 3.18 89 89 A 33 ILE HA A 33 ILE HG1y 1.0 . 3.28 90 90 A 33 ILE HA A 33 ILE HG2% 1.0 . 3.19 91 91 A 33 ILE HA A 33 ILE HG1x 1.0 . 3.28 92 92 A 33 ILE HG2% A 33 ILE HG1x 1.0 . 3.13 93 93 A 33 ILE HG2% A 33 ILE HG1y 1.0 . 3.13 94 94 A 33 ILE HA A 33 ILE HD1% 1.0 . 3.62 95 95 A 33 ILE HD1% A 33 ILE HB 1.0 . 3.36 96 96 A 34 THR HA A 34 THR HG2% 1.0 . 2.79 97 97 A 35 ASP H A 35 ASP HBx 1.0 . 2.88 98 98 A 35 ASP HA A 35 ASP HBx 1.0 . 2.94 99 99 A 35 ASP HA A 35 ASP HBy 1.0 . 2.94 100 100 A 36 LYS HA A 36 LYS HGx 1.0 . 2.81 101 101 A 36 LYS HA A 36 LYS HDy 1.0 . 3.61 102 102 A 36 LYS H A 36 LYS HBx 1.0 . 3.57 103 103 A 36 LYS HGx A 36 LYS HEy 1.0 . 3.63 104 104 A 36 LYS HA A 36 LYS HGy 1.0 . 3.70 105 105 A 36 LYS H A 36 LYS HDx 1.0 . 4.67 106 106 A 36 LYS HA A 36 LYS HDx 1.0 . 3.61 107 107 A 36 LYS H A 36 LYS HDy 1.0 . 4.67 108 108 A 36 LYS HA A 36 LYS HEy 1.0 . 5.12 109 109 A 36 LYS HGy A 36 LYS HEy 1.0 . 3.56 110 110 A 36 LYS HA A 36 LYS HEx 1.0 . 5.12 111 111 A 36 LYS HGx A 36 LYS HEx 1.0 . 3.63 112 112 A 36 LYS HGy A 36 LYS HEx 1.0 . 3.56 113 113 A 38 ASP HA A 38 ASP HBx 1.0 . 2.99 114 114 A 38 ASP HA A 38 ASP HBy 1.0 . 2.99 115 115 A 39 LYS H A 39 LYS HBy 1.0 . 3.30 116 116 A 39 LYS H A 39 LYS HBx 1.0 . 2.98 117 117 A 40 VAL HA A 40 VAL HGx% 1.0 . 3.03 118 118 A 40 VAL H A 40 VAL HGy% 1.0 . 3.61 119 119 A 40 VAL HA A 40 VAL HGy% 1.0 . 3.03 120 120 A 41 ALA H A 41 ALA HA 1.0 . 2.94 121 121 A 43 LYS HA A 43 LYS HBy 1.0 . 3.02 122 122 A 43 LYS HA A 43 LYS HGy 1.0 . 3.56 123 123 A 43 LYS HA A 43 LYS HDx 1.0 . 3.55 124 124 A 43 LYS HA A 43 LYS HGx 1.0 . 3.56 125 125 A 43 LYS HA A 43 LYS HDy 1.0 . 3.55 126 126 A 44 VAL HA A 44 VAL HGx% 1.0 . 3.06 127 127 A 44 VAL H A 44 VAL HB 1.0 . 2.97 128 128 A 44 VAL H A 44 VAL HGy% 1.0 . 3.87 129 129 A 44 VAL HA A 44 VAL HGy% 1.0 . 3.06 130 130 A 45 GLN HA A 45 GLN HGx 1.0 . 4.00 131 131 A 45 GLN H A 45 GLN HBy 1.0 . 3.51 132 132 A 45 GLN H A 45 GLN HGy 1.0 . 4.86 133 133 A 45 GLN H A 45 GLN HGx 1.0 . 4.86 134 134 A 45 GLN HA A 45 GLN HGy 1.0 . 4.00 135 135 A 47 GLU HA A 47 GLU HGx 1.0 . 4.06 136 136 A 47 GLU HA A 47 GLU HGy 1.0 . 4.06 137 137 A 47 GLU H A 47 GLU HBx 1.0 . 4.12 138 138 A 47 GLU H A 47 GLU HBy 1.0 . 4.12 139 139 A 48 ASP H A 48 ASP HBy 1.0 . 4.11 140 140 A 52 VAL HA A 52 VAL HGx% 1.0 . 3.37 141 141 A 52 VAL H A 52 VAL HB 1.0 . 2.99 142 142 A 52 VAL H A 52 VAL HGx% 1.0 . 4.69 143 143 A 52 VAL H A 52 VAL HGy% 1.0 . 4.69 144 144 A 52 VAL HA A 52 VAL HGy% 1.0 . 3.37 145 145 A 53 PHE HA A 53 PHE HD% 1.0 . 3.51 146 146 A 53 PHE H A 53 PHE HBx 1.0 . 3.44 147 147 A 54 GLN H A 54 GLN HBy 1.0 . 3.33 148 148 A 54 GLN HBy A 54 GLN HGx 1.0 . 2.95 149 149 A 54 GLN H A 54 GLN HGy 1.0 . 3.62 150 150 A 54 GLN HBy A 54 GLN HGy 1.0 . 2.95 151 151 A 56 VAL HA A 56 VAL HGx% 1.0 . 3.08 152 152 A 56 VAL H A 56 VAL HGy% 1.0 . 3.95 153 153 A 56 VAL HA A 56 VAL HGy% 1.0 . 3.08 154 154 A 61 GLU H A 61 GLU HBy 1.0 . 3.99 155 155 A 72 GLU H A 72 GLU HBx 1.0 . 4.13 156 156 A 74 LEU HA A 74 LEU HG 1.0 . 4.04 157 157 A 74 LEU HA A 74 LEU HDx% 1.0 . 3.89 158 158 A 74 LEU H A 74 LEU HBx 1.0 . 3.28 159 159 A 74 LEU HBy A 74 LEU HDx% 1.0 . 3.37 160 160 A 74 LEU HBx A 74 LEU HDx% 1.0 . 3.37 161 161 A 74 LEU HA A 74 LEU HDy% 1.0 . 3.89 162 162 A 74 LEU HDy% A 74 LEU HBx 1.0 . 3.37 163 163 A 76 ASP H A 76 ASP HBy 1.0 . 3.14 164 164 A 79 ARG HA A 79 ARG HGx 1.0 . 3.96 165 165 A 79 ARG HA A 79 ARG HGy 1.0 . 3.96 166 166 A 79 ARG H A 79 ARG HGy 1.0 . 4.52 167 167 A 79 ARG HA A 79 ARG HDy 1.0 . 5.03 168 168 A 79 ARG HA A 79 ARG HDx 1.0 . 5.03 169 169 A 80 ASP H A 80 ASP HBx 1.0 . 3.26 170 170 A 81 TYR HA A 81 TYR HD% 1.0 . 3.82 171 171 A 81 TYR H A 81 TYR HBx 1.0 . 3.22 172 172 A 81 TYR H A 81 TYR HBy 1.0 . 3.22 173 173 A 82 MET HA A 82 MET HGx 1.0 . 3.76 174 174 A 82 MET H A 82 MET HBx 1.0 . 3.49 175 175 A 82 MET H A 82 MET HBy 1.0 . 3.49 176 176 A 82 MET H A 82 MET HGy 1.0 . 3.78 177 177 A 82 MET HA A 82 MET HGy 1.0 . 3.76 178 178 A 86 LYS HA A 89 LEU HBy 1.0 . 3.80 179 179 A 86 LYS H A 86 LYS HGy 1.0 . 3.95 180 180 A 86 LYS HA A 86 LYS HGy 1.0 . 3.89 181 181 A 86 LYS HA A 86 LYS HGx 1.0 . 3.89 182 182 A 86 LYS H A 86 LYS HDx 1.0 . 4.49 183 183 A 88 LYS HA A 88 LYS HGx 1.0 . 3.71 184 184 A 88 LYS H A 88 LYS HGy 1.0 . 3.70 185 185 A 88 LYS HA A 88 LYS HGy 1.0 . 3.71 186 186 A 88 LYS H A 88 LYS HGx 1.0 . 3.70 187 187 A 88 LYS HA A 88 LYS HDx 1.0 . 4.23 188 188 A 88 LYS HA A 88 LYS HDy 1.0 . 4.23 189 189 A 89 LEU HA A 89 LEU HG 1.0 . 3.79 190 190 A 89 LEU H A 89 LEU HBy 1.0 . 3.41 191 191 A 89 LEU HBy A 89 LEU HDx% 1.0 . 4.11 192 192 A 89 LEU HBx A 89 LEU HDx% 1.0 . 4.11 193 193 A 89 LEU HG A 89 LEU H 1.0 . 4.88 194 194 A 89 LEU H A 89 LEU HDx% 1.0 . 4.33 195 195 A 89 LEU HA A 89 LEU HDx% 1.0 . 3.89 196 196 A 74 LEU HDy% A 74 LEU HBy 1.0 . 3.37 197 197 A 89 LEU H A 89 LEU HDy% 1.0 . 4.33 198 198 A 89 LEU HA A 89 LEU HDy% 1.0 . 3.89 199 199 A 89 LEU HBy A 89 LEU HDy% 1.0 . 4.11 200 200 A 89 LEU HDy% A 89 LEU HBx 1.0 . 4.11 201 201 A 90 ASN H A 90 ASN HBx 1.0 . 3.26 202 202 A 91 ASP H A 91 ASP HBy 1.0 . 3.30 203 203 A 91 ASP H A 91 ASP HBx 1.0 . 3.30 204 204 A 93 VAL HA A 93 VAL HGy% 1.0 . 2.95 205 205 A 93 VAL H A 93 VAL HB 1.0 . 3.00 206 206 A 93 VAL H A 93 VAL HGx% 1.0 . 3.91 207 207 A 93 VAL HA A 93 VAL HGx% 1.0 . 2.95 208 208 A 93 VAL H A 93 VAL HGy% 1.0 . 3.91 209 209 A 94 GLU HA A 94 GLU HGx 1.0 . 4.03 210 210 A 94 GLU H A 94 GLU HGy 1.0 . 3.78 211 211 A 95 TYR HA A 95 TYR HD% 1.0 . 3.68 212 212 A 96 VAL HA A 96 VAL HGy% 1.0 . 2.91 213 213 A 96 VAL H A 96 VAL HB 1.0 . 3.08 214 214 A 96 VAL HGy% A 96 VAL H 1.0 . 2.92 215 215 A 96 VAL H A 96 VAL HGx% 1.0 . 3.61 216 216 A 96 VAL HA A 96 VAL HGx% 1.0 . 3.01 217 217 A 97 SER H A 97 SER HA 1.0 . 2.76 218 218 A 99 ARG HA A 99 ARG HDy 1.0 . 4.28 219 219 A 99 ARG HBy A 99 ARG HDy 1.0 . 4.19 220 220 A 99 ARG H A 99 ARG HGx 1.0 . 3.94 221 221 A 99 ARG HA A 99 ARG HDx 1.0 . 4.28 222 222 A 99 ARG HBy A 99 ARG HDx 1.0 . 4.19 223 223 A 100 VAL H A 100 VAL HB 1.0 . 3.09 224 224 A 100 VAL HB A 100 VAL HA 1.0 . 2.92 225 225 A 100 VAL HA A 100 VAL HGx% 1.0 . 3.26 226 226 A 100 VAL HA A 100 VAL HGy% 1.0 . 3.26 227 227 A 101 HIS H A 101 HIS HBx 1.0 . 3.71 228 228 A 101 HIS H A 101 HIS HBy 1.0 . 3.71 229 229 A 5 GLY HAy A 6 ARG H 1.0 . 3.35 230 230 A 7 LYS H A 6 ARG HBy 1.0 . 4.19 231 231 A 7 LYS HA A 8 GLY H 1.0 . 3.02 232 232 A 10 GLY H A 9 PHE HBx 1.0 . 3.53 233 233 A 13 ALA H A 12 LYS HBx 1.0 . 3.57 234 234 A 13 ALA HA A 14 SER H 1.0 . 3.38 235 235 A 15 GLU HBy A 16 ALA H 1.0 . 3.53 236 236 A 16 ALA H A 15 GLU HGx 1.0 . 4.72 237 237 A 17 LEU H A 16 ALA HB% 1.0 . 3.04 238 238 A 17 LEU HG A 18 LYS H 1.0 . 5.19 239 239 A 18 LYS H A 17 LEU HDy% 1.0 . 4.48 240 240 A 20 ASP HA A 21 SER H 1.0 . 3.25 241 241 A 22 GLN HA A 23 LYS H 1.0 . 3.32 242 242 A 24 SER H A 23 LYS HBx 1.0 . 4.89 243 243 A 25 TYR H A 24 SER HBx 1.0 . 3.95 244 244 A 25 TYR H A 24 SER HBy 1.0 . 3.95 245 245 A 25 TYR HA A 26 ALA H 1.0 . 3.52 246 246 A 27 GLU H A 26 ALA HB% 1.0 . 3.05 247 247 A 27 GLU HA A 28 GLN H 1.0 . 3.55 248 248 A 28 GLN H A 27 GLU HBx 1.0 . 3.47 249 249 A 28 GLN H A 27 GLU HBy 1.0 . 3.47 250 250 A 28 GLN HBx A 29 GLY H 1.0 . 3.91 251 251 A 28 GLN HGy A 29 GLY H 1.0 . 4.05 252 252 A 28 GLN HGx A 29 GLY H 1.0 . 4.68 253 253 A 30 LYS HBx A 31 GLU H 1.0 . 3.65 254 254 A 30 LYS HBy A 31 GLU H 1.0 . 3.22 255 255 A 33 ILE H A 32 TYR HBx 1.0 . 3.61 256 256 A 33 ILE HB A 33 ILE H 1.0 . 3.23 257 257 A 33 ILE H A 33 ILE HG1x 1.0 . 3.71 258 258 A 35 ASP H A 34 THR HB 1.0 . 3.25 259 259 A 34 THR HG2% A 35 ASP H 1.0 . 3.61 260 260 A 36 LYS H A 35 ASP HBx 1.0 . 3.36 261 261 A 37 ALA H A 36 LYS HBy 1.0 . 3.60 262 262 A 39 LYS H A 38 ASP HBx 1.0 . 3.42 263 263 A 39 LYS H A 38 ASP HBy 1.0 . 3.42 264 264 A 41 ALA H A 40 VAL HGx% 1.0 . 3.53 265 265 A 41 ALA H A 40 VAL HGy% 1.0 . 3.53 266 266 A 41 ALA HA A 42 GLY H 1.0 . 3.55 267 267 A 42 GLY H A 41 ALA HB% 1.0 . 2.70 268 268 A 43 LYS H A 42 GLY HAx 1.0 . 3.43 269 269 A 44 VAL HB A 45 GLN H 1.0 . 4.12 270 270 A 45 GLN H A 44 VAL HGx% 1.0 . 4.02 271 271 A 47 GLU HBx A 48 ASP H 1.0 . 4.11 272 272 A 48 ASP HBx A 49 ASN H 1.0 . 5.45 273 273 A 52 VAL H A 51 GLY HAy 1.0 . 3.37 274 274 A 52 VAL HB A 53 PHE H 1.0 . 3.43 275 275 A 54 GLN H A 53 PHE HBx 1.0 . 3.93 276 276 A 54 GLN H A 53 PHE HBy 1.0 . 3.93 277 277 A 62 LYS H A 61 GLU HBy 1.0 . 4.39 278 278 A 74 LEU H A 73 SER HBx 1.0 . 4.31 279 279 A 74 LEU H A 73 SER HBy 1.0 . 4.31 280 280 A 74 LEU HA A 75 ALA H 1.0 . 3.44 281 281 A 74 LEU HG A 75 ALA H 1.0 . 3.98 282 282 A 75 ALA H A 74 LEU HDx% 1.0 . 5.50 283 283 A 75 ALA H A 74 LEU HDy% 1.0 . 5.50 284 284 A 77 GLN H A 76 ASP HBy 1.0 . 3.71 285 285 A 79 ARG H A 78 ALA HB% 1.0 . 2.77 286 286 A 79 ARG HA A 80 ASP H 1.0 . 3.30 287 287 A 80 ASP H A 79 ARG HBx 1.0 . 3.86 288 288 A 62 LYS H A 61 GLU HBx 1.0 . 4.39 289 289 A 81 TYR H A 80 ASP HBx 1.0 . 3.56 290 290 A 81 TYR H A 80 ASP HBy 1.0 . 3.56 291 291 A 82 MET H A 81 TYR HBx 1.0 . 3.86 292 292 A 82 MET HBx A 83 GLY H 1.0 . 3.84 293 293 A 82 MET HBy A 83 GLY H 1.0 . 3.84 294 294 A 86 LYS H A 85 ALA HB% 1.0 . 3.21 295 295 A 87 SER H A 86 LYS HBx 1.0 . 3.72 296 296 A 87 SER H A 86 LYS HBy 1.0 . 3.72 297 297 A 88 LYS H A 87 SER HA 1.0 . 3.55 298 298 A 89 LEU H A 88 LYS HBx 1.0 . 3.61 299 299 A 90 ASN H A 89 LEU HBx 1.0 . 3.85 300 300 A 89 LEU HG A 90 ASN H 1.0 . 5.50 301 301 A 90 ASN H A 89 LEU HDx% 1.0 . 4.57 302 302 A 90 ASN H A 89 LEU HDy% 1.0 . 4.57 303 303 A 92 ALA H A 91 ASP HBy 1.0 . 3.64 304 304 A 92 ALA H A 91 ASP HBx 1.0 . 3.64 305 305 A 93 VAL H A 92 ALA HB% 1.0 . 3.08 306 306 A 94 GLU H A 93 VAL HGy% 1.0 . 3.51 307 307 A 96 VAL HB A 97 SER H 1.0 . 3.03 308 308 A 96 VAL HGy% A 97 SER H 1.0 . 3.58 309 309 A 96 VAL HGx% A 97 SER H 1.0 . 3.38 310 310 A 97 SER HA A 98 GLY H 1.0 . 3.31 311 311 A 98 GLY H A 97 SER HBy 1.0 . 3.58 312 312 A 99 ARG H A 98 GLY HAy 1.0 . 3.45 313 313 A 100 VAL H A 99 ARG HBx 1.0 . 3.65 314 314 A 99 ARG HBy A 100 VAL H 1.0 . 3.65 315 315 A 100 VAL HB A 101 HIS H 1.0 . 3.71 316 316 A 101 HIS H A 100 VAL HGx% 1.0 . 4.00 317 317 A 13 ALA HB% A 14 SER HA 1.0 . 3.77 318 318 A 13 ALA HB% A 10 GLY HAx 1.0 . 3.78 319 319 A 18 LYS HA A 19 PRO HDy 1.0 . 3.08 320 320 A 25 TYR HA A 28 GLN HBy 1.0 . 3.64 321 321 A 32 TYR H A 29 GLY HAx 1.0 . 4.29 322 322 A 32 TYR HBx A 29 GLY HAy 1.0 . 4.30 323 323 A 29 GLY HAy A 32 TYR HBy 1.0 . 4.30 324 324 A 32 TYR HA A 35 ASP HBy 1.0 . 3.87 325 325 A 32 TYR HD% A 33 ILE HG2% 1.0 . 4.21 326 326 A 32 TYR HD% A 33 ILE HG1x 1.0 . 4.62 327 327 A 32 TYR HD% A 33 ILE HG1y 1.0 . 4.62 328 328 A 32 TYR HD% A 33 ILE HA 1.0 . 4.21 329 329 A 30 LYS HA A 33 ILE HD1% 1.0 . 3.79 330 330 A 32 TYR HA A 35 ASP HBx 1.0 . 3.87 331 331 A 36 LYS HA A 39 LYS H 1.0 . 3.95 332 332 A 38 ASP HA A 41 ALA HB% 1.0 . 3.23 333 333 A 37 ALA HA A 40 VAL HGy% 1.0 . 4.38 334 334 A 41 ALA HA A 40 VAL HGy% 1.0 . 3.71 335 335 A 41 ALA HA A 40 VAL HGx% 1.0 . 3.71 336 336 A 37 ALA HA A 40 VAL HB 1.0 . 4.70 337 337 A 53 PHE HD% A 52 VAL HGy% 1.0 . 5.14 338 338 A 77 GLN HBx A 74 LEU HDx% 1.0 . 6.07 339 339 A 74 LEU HDy% A 77 GLN HBy 1.0 . 6.07 340 340 A 93 VAL HB A 90 ASN HA 1.0 . 3.27 341 341 A 81 TYR HD% A 78 ALA HA 1.0 . 4.24 342 342 A 27 GLU HA A 26 ALA HB% 1.0 . 4.14 343 343 A 81 TYR HA A 84 ALA HB% 1.0 . 3.27 344 344 A 78 ALA HA A 81 TYR HBx 1.0 . 3.88 345 345 A 78 ALA HA A 81 TYR HBy 1.0 . 3.88 346 346 A 79 ARG HA A 82 MET HGx 1.0 . 4.83 347 347 A 79 ARG HA A 82 MET HBx 1.0 . 3.95 348 348 A 82 MET HA A 85 ALA HB% 1.0 . 3.21 349 349 A 81 TYR HD% A 84 ALA HB% 1.0 . 4.52 350 350 A 85 ALA HA A 88 LYS HBx 1.0 . 3.98 351 351 A 86 LYS HA A 89 LEU HG 1.0 . 4.86 352 352 A 90 ASN HA A 93 VAL HGx% 1.0 . 3.97 353 353 A 87 SER HA A 90 ASN HBx 1.0 . 3.98 354 354 A 87 SER HA A 90 ASN HBy 1.0 . 3.98 355 355 A 92 ALA HA A 95 TYR HBy 1.0 . 3.94 356 356 A 92 ALA HB% A 93 VAL HGx% 1.0 . 4.73 357 357 A 90 ASN HA A 93 VAL HGy% 1.0 . 3.97 358 358 A 91 ASP H A 92 ALA HB% 1.0 . 4.03 359 359 A 94 GLU HA A 97 SER H 1.0 . 4.59 360 360 A 93 VAL HA A 96 VAL HGy% 1.0 . 3.57 361 361 A 93 VAL HA A 96 VAL HGx% 1.0 . 3.88 362 362 A 97 SER HA A 100 VAL HB 1.0 . 4.30 363 363 A 96 VAL HGx% A 97 SER HA 1.0 . 4.20 364 364 A 97 SER HA A 100 VAL HGx% 1.0 . 4.30 365 365 A 95 TYR HD% A 96 VAL HGx% 1.0 . 4.59 366 366 A 96 VAL HGy% A 95 TYR H 1.0 . 4.00 367 367 A 95 TYR HD% A 96 VAL HGy% 1.0 . 3.42 368 368 A 96 VAL HA A 99 ARG H 1.0 . 3.63 369 369 A 95 TYR HD% A 96 VAL HA 1.0 . 4.74 370 370 A 96 VAL HA A 99 ARG HBy 1.0 . 3.98 371 371 A 96 VAL HA A 99 ARG HBx 1.0 . 4.05 372 372 A 97 SER HA A 100 VAL HGy% 1.0 . 4.30 373 373 A 13 ALA HB% A 10 GLY HAy 1.0 . 3.78 374 374 A 9 PHE HA A 12 LYS HBy 1.0 . 4.45 375 375 A 9 PHE HA A 12 LYS HBx 1.0 . 4.45 376 376 A 12 LYS HA A 15 GLU HBx 1.0 . 3.35 377 377 A 12 LYS HA A 15 GLU HBy 1.0 . 3.88 378 378 A 13 ALA HA A 16 ALA HB% 1.0 . 3.26 379 379 A 25 TYR HA A 28 GLN HBx 1.0 . 3.66 380 380 A 30 LYS HA A 33 ILE HG2% 1.0 . 4.92 381 381 A 30 LYS HA A 33 ILE HB 1.0 . 3.72 382 382 A 30 LYS HA A 33 ILE HG1y 1.0 . 4.49 383 383 A 33 ILE HA A 36 LYS HBy 1.0 . 4.33 384 384 A 33 ILE HA A 36 LYS HBx 1.0 . 4.33 385 385 A 34 THR HA A 37 ALA HB% 1.0 . 3.05 386 386 A 35 ASP HA A 38 ASP HBx 1.0 . 3.79 387 387 A 35 ASP HA A 38 ASP HBy 1.0 . 3.79 388 388 A 36 LYS HA A 39 LYS HBy 1.0 . 4.25 389 389 A 36 LYS HA A 39 LYS HBx 1.0 . 3.95 390 390 A 40 VAL HA A 43 LYS HBx 1.0 . 4.21 391 391 A 40 VAL HA A 43 LYS HBy 1.0 . 4.10 392 392 A 40 VAL HA A 43 LYS HGy 1.0 . 4.49 393 393 A 41 ALA HA A 44 VAL HGy% 1.0 . 4.62 394 394 A 41 ALA HA A 44 VAL HGx% 1.0 . 4.62 395 395 A 41 ALA HA A 44 VAL HB 1.0 . 4.56 396 396 A 45 GLN HA A 46 PRO HD2 1.0 . 2.92 397 397 A 45 GLN HA A 46 PRO HD3 1.0 . 2.92 398 398 A 53 PHE HD% A 52 VAL HGx% 1.0 . 5.14 399 399 A 77 GLN HA A 80 ASP HBy 1.0 . 3.89 400 400 A 77 GLN HA A 80 ASP HBx 1.0 . 3.89 401 401 A 79 ARG HA A 82 MET HGy 1.0 . 4.83 402 402 A 79 ARG HA A 82 MET HBy 1.0 . 3.95 403 403 A 84 ALA HA A 87 SER HBy 1.0 . 3.82 404 404 A 84 ALA HA A 87 SER HBx 1.0 . 3.82 405 405 A 85 ALA HA A 88 LYS HGy 1.0 . 4.22 406 406 A 85 ALA HA A 88 LYS HBy 1.0 . 3.98 407 407 A 86 LYS HA A 89 LEU HBx 1.0 . 3.80 408 408 A 88 LYS HA A 91 ASP HBy 1.0 . 4.22 409 409 A 88 LYS HA A 91 ASP HBx 1.0 . 4.22 410 410 A 89 LEU HA A 92 ALA HB% 1.0 . 3.23 411 411 A 92 ALA HB% A 93 VAL HGy% 1.0 . 4.73 412 412 A 91 ASP HA A 94 GLU HBx 1.0 . 4.37 413 413 A 91 ASP HA A 94 GLU HBy 1.0 . 3.76 414 414 A 94 GLU HA A 94 GLU HGy 1.0 . 4.03 415 415 A 93 VAL HA A 96 VAL HB 1.0 . 3.75 416 416 A 53 PHE HA A 56 VAL HB 1.0 . 4.31 417 417 A 54 GLN HA A 57 HIS HBy 1.0 . 4.46 418 418 A 54 GLN HA A 57 HIS HBx 1.0 . 4.46 419 419 A 55 GLY HAx A 58 ASP HBy 1.0 . 4.75 420 420 A 58 ASP HBy A 55 GLY HAy 1.0 . 4.75 421 421 A 55 GLY HAx A 58 ASP HBx 1.0 . 4.75 422 422 A 55 GLY HAy A 58 ASP HBx 1.0 . 4.75 423 423 A 78 ALA HB% A 75 ALA HA 1.0 . 2.57 424 424 A 85 ALA HA A 88 LYS HGx 1.0 . 4.22 425 425 A 92 ALA HA A 95 TYR HBx 1.0 . 3.94 426 426 A 81 TYR H A 78 ALA HA 1.0 . 4.39 427 427 A 79 ARG HA A 82 MET H 1.0 . 3.94 428 428 A 83 GLY H A 80 ASP HA 1.0 . 3.99 429 429 A 86 LYS H A 83 GLY HAx 1.0 . 4.73 430 430 A 86 LYS H A 83 GLY HAy 1.0 . 4.73 431 431 A 88 LYS H A 85 ALA HA 1.0 . 3.84 432 432 A 11 GLU HA A 13 ALA H 1.0 . 4.87 433 433 A 7 LYS H A 10 GLY HAx 1.0 . 5.10 434 434 A 7 LYS H A 10 GLY HAy 1.0 . 5.10 435 435 A 12 LYS HA A 16 ALA H 1.0 . 4.10 436 436 A 17 LEU H A 13 ALA HA 1.0 . 5.50 437 437 A 17 LEU H A 14 SER HA 1.0 . 4.65 438 438 A 15 GLU HA A 18 LYS H 1.0 . 3.93 439 439 A 18 LYS HA A 19 PRO HDx 1.0 . 3.08 440 440 A 27 GLU H A 24 SER HA 1.0 . 4.82 441 441 A 25 TYR HA A 27 GLU H 1.0 . 5.19 442 442 A 25 TYR HA A 29 GLY H 1.0 . 4.36 443 443 A 28 GLN HA A 32 TYR H 1.0 . 4.23 444 444 A 28 GLN HA A 31 GLU H 1.0 . 3.94 445 445 A 29 GLY HAx A 32 TYR HBy 1.0 . 4.30 446 446 A 29 GLY HAx A 32 TYR HBx 1.0 . 4.30 447 447 A 34 THR HG2% A 31 GLU HA 1.0 . 4.22 448 448 A 13 ALA HB% A 16 ALA H 1.0 . 4.34 449 449 A 9 PHE HD% A 13 ALA HB% 1.0 . 4.48 450 450 A 33 ILE H A 29 GLY HAy 1.0 . 5.50 451 451 A 30 LYS HA A 34 THR H 1.0 . 5.19 452 452 A 31 GLU HA A 34 THR H 1.0 . 4.38 453 453 A 27 GLU HA A 30 LYS HBy 1.0 . 4.26 454 454 A 27 GLU HA A 30 LYS HBx 1.0 . 3.59 455 455 A 27 GLU HA A 30 LYS HGy 1.0 . 4.87 456 456 A 27 GLU HA A 30 LYS HEy 1.0 . 5.34 457 457 A 27 GLU HA A 30 LYS HEx 1.0 . 5.34 458 458 A 30 LYS HA A 33 ILE HG1x 1.0 . 4.49 459 459 A 34 THR HB A 31 GLU HA 1.0 . 4.59 460 460 A 33 ILE HG2% A 34 THR HA 1.0 . 3.91 461 461 A 32 TYR HD% A 33 ILE HD1% 1.0 . 4.13 462 462 A 44 VAL H A 43 LYS HBx 1.0 . 3.65 463 463 A 43 LYS HBy A 44 VAL H 1.0 . 3.59 464 464 A 43 LYS HA A 44 VAL H 1.0 . 3.47 465 465 A 40 VAL HA A 43 LYS HGx 1.0 . 4.49 466 466 A 37 ALA HA A 40 VAL HGx% 1.0 . 4.38 467 467 A 74 LEU HA A 77 GLN H 1.0 . 3.54 468 468 A 94 GLU HA A 97 SER HBx 1.0 . 3.93 469 469 A 94 GLU HA A 97 SER HBy 1.0 . 3.93 470 470 A 73 SER HA A 75 ALA HB% 1.0 . 4.17 471 471 A 73 SER HA A 74 LEU HBx 1.0 . 4.68 472 472 A 73 SER HA A 74 LEU HBy 1.0 . 4.68 473 473 A 75 ALA H A 73 SER HBy 1.0 . 4.51 474 474 A 82 MET H A 78 ALA HA 1.0 . 4.83 475 475 A 17 LEU HA A 17 LEU HDy% 1.0 . 4.36 476 476 A 4 ALA HB% A 5 GLY H 1.0 . 5.50 477 477 A 6 ARG HA A 7 LYS H 1.0 . 3.15 478 478 A 7 LYS H A 6 ARG HBx 1.0 . 4.19 479 479 A 7 LYS H A 6 ARG HGy 1.0 . 5.14 480 480 A 8 GLY H A 7 LYS HBx 1.0 . 4.09 481 481 A 8 GLY H A 7 LYS HBy 1.0 . 4.09 482 482 A 8 GLY H A 7 LYS HGy 1.0 . 5.12 483 483 A 8 GLY H A 7 LYS HGx 1.0 . 5.12 484 484 A 6 ARG H A 5 GLY HAx 1.0 . 3.35 485 485 A 9 PHE H A 10 GLY H 1.0 . 3.11 486 486 A 10 GLY H A 9 PHE HBy 1.0 . 3.53 487 487 A 10 GLY H A 11 GLU H 1.0 . 3.01 488 488 A 12 LYS H A 11 GLU HGy 1.0 . 4.95 489 489 A 12 LYS H A 11 GLU HGx 1.0 . 4.95 490 490 A 12 LYS HA A 13 ALA H 1.0 . 3.38 491 491 A 13 ALA H A 14 SER H 1.0 . 3.15 492 492 A 13 ALA HB% A 14 SER H 1.0 . 2.92 493 493 A 15 GLU H A 14 SER H 1.0 . 3.14 494 494 A 15 GLU H A 14 SER HA 1.0 . 3.34 495 495 A 15 GLU H A 14 SER HBx 1.0 . 3.97 496 496 A 15 GLU H A 14 SER HBy 1.0 . 3.97 497 497 A 16 ALA H A 15 GLU HBx 1.0 . 3.42 498 498 A 16 ALA H A 15 GLU HGy 1.0 . 4.72 499 499 A 17 LEU H A 16 ALA HA 1.0 . 3.50 500 500 A 17 LEU H A 18 LYS H 1.0 . 3.07 501 501 A 18 LYS H A 17 LEU HBx 1.0 . 4.05 502 502 A 18 LYS H A 17 LEU HBy 1.0 . 4.05 503 503 A 18 LYS H A 17 LEU HDx% 1.0 . 4.48 504 504 A 20 ASP H A 19 PRO HA 1.0 . 3.00 505 505 A 20 ASP H A 19 PRO HBx 1.0 . 4.45 506 506 A 20 ASP H A 19 PRO HBy 1.0 . 4.45 507 507 A 20 ASP H A 19 PRO HDx 1.0 . 5.50 508 508 A 23 LYS H A 22 GLN H 1.0 . 4.81 509 509 A 23 LYS H A 22 GLN HBx 1.0 . 3.93 510 510 A 23 LYS H A 22 GLN HBy 1.0 . 3.93 511 511 A 24 SER H A 23 LYS HA 1.0 . 3.16 512 512 A 24 SER H A 23 LYS HBy 1.0 . 4.89 513 513 A 25 TYR H A 24 SER HA 1.0 . 3.00 514 514 A 26 ALA H A 25 TYR HBx 1.0 . 3.58 515 515 A 26 ALA H A 25 TYR HBy 1.0 . 3.58 516 516 A 27 GLU H A 26 ALA H 1.0 . 3.05 517 517 A 27 GLU H A 28 GLN H 1.0 . 3.06 518 518 A 28 GLN HBy A 29 GLY H 1.0 . 3.64 519 519 A 30 LYS H A 29 GLY H 1.0 . 3.09 520 520 A 30 LYS H A 31 GLU H 1.0 . 3.00 521 521 A 30 LYS HGy A 31 GLU H 1.0 . 5.32 522 522 A 33 ILE H A 32 TYR HBy 1.0 . 3.61 523 523 A 33 ILE HB A 34 THR H 1.0 . 3.50 524 524 A 33 ILE HG2% A 34 THR H 1.0 . 4.02 525 525 A 34 THR H A 33 ILE HG1x 1.0 . 4.84 526 526 A 34 THR H A 33 ILE HG1y 1.0 . 4.84 527 527 A 34 THR HA A 35 ASP H 1.0 . 3.54 528 528 A 36 LYS H A 35 ASP HBy 1.0 . 3.36 529 529 A 36 LYS H A 37 ALA H 1.0 . 2.77 530 530 A 37 ALA H A 36 LYS HBx 1.0 . 3.60 531 531 A 37 ALA HB% A 38 ASP H 1.0 . 2.91 532 532 A 39 LYS H A 38 ASP H 1.0 . 2.96 533 533 A 38 ASP HA A 39 LYS H 1.0 . 3.53 534 534 A 39 LYS HBy A 40 VAL H 1.0 . 3.46 535 535 A 39 LYS HBx A 40 VAL H 1.0 . 3.49 536 536 A 40 VAL HA A 41 ALA H 1.0 . 3.48 537 537 A 41 ALA H A 42 GLY H 1.0 . 3.47 538 538 A 42 GLY H A 43 LYS H 1.0 . 3.07 539 539 A 43 LYS H A 42 GLY HAy 1.0 . 3.43 540 540 A 44 VAL H A 41 ALA HB% 1.0 . 4.62 541 541 A 44 VAL HA A 45 GLN H 1.0 . 2.86 542 542 A 45 GLN H A 44 VAL HGy% 1.0 . 4.02 543 543 A 47 GLU H A 46 PRO HA 1.0 . 3.17 544 544 A 47 GLU H A 46 PRO HBx 1.0 . 3.88 545 545 A 47 GLU H A 46 PRO HBy 1.0 . 3.88 546 546 A 47 GLU HA A 48 ASP H 1.0 . 3.42 547 547 A 47 GLU HBy A 48 ASP H 1.0 . 4.11 548 548 A 49 ASN H A 48 ASP HA 1.0 . 3.13 549 549 A 48 ASP HBy A 49 ASN H 1.0 . 5.45 550 550 A 50 LYS H A 51 GLY H 1.0 . 4.26 551 551 A 51 GLY H A 50 LYS HA 1.0 . 3.19 552 552 A 51 GLY H A 50 LYS HBx 1.0 . 4.39 553 553 A 51 GLY H A 50 LYS HBy 1.0 . 4.39 554 554 A 52 VAL H A 51 GLY HAx 1.0 . 3.37 555 555 A 52 VAL HA A 53 PHE H 1.0 . 3.27 556 556 A 53 PHE H A 52 VAL HGx% 1.0 . 3.87 557 557 A 53 PHE H A 52 VAL HGy% 1.0 . 3.87 558 558 A 54 GLN H A 55 GLY H 1.0 . 3.97 559 559 A 55 GLY H A 54 GLN HBx 1.0 . 4.39 560 560 A 54 GLN HBy A 55 GLY H 1.0 . 3.83 561 561 A 56 VAL H A 55 GLY H 1.0 . 3.79 562 562 A 56 VAL H A 57 HIS H 1.0 . 4.02 563 563 A 56 VAL HB A 57 HIS H 1.0 . 4.56 564 564 A 57 HIS H A 56 VAL HGx% 1.0 . 5.50 565 565 A 61 GLU H A 60 ALA H 1.0 . 5.33 566 566 A 61 GLU H A 60 ALA HB% 1.0 . 3.96 567 567 A 62 LYS HA A 63 GLY H 1.0 . 3.56 568 568 A 67 ALA HB% A 68 GLU H 1.0 . 4.71 569 569 A 72 GLU H A 71 GLY H 1.0 . 5.50 570 570 A 72 GLU H A 73 SER H 1.0 . 5.49 571 571 A 73 SER H A 72 GLU HA 1.0 . 3.19 572 572 A 73 SER H A 72 GLU HBx 1.0 . 5.16 573 573 A 73 SER H A 72 GLU HBy 1.0 . 5.16 574 574 A 74 LEU H A 73 SER H 1.0 . 5.50 575 575 A 76 ASP H A 75 ALA HA 1.0 . 3.48 576 576 A 76 ASP H A 75 ALA HB% 1.0 . 2.98 577 577 A 77 GLN H A 76 ASP HBx 1.0 . 3.71 578 578 A 79 ARG H A 78 ALA H 1.0 . 3.38 579 579 A 79 ARG H A 80 ASP H 1.0 . 3.47 580 580 A 80 ASP H A 79 ARG HBy 1.0 . 3.86 581 581 A 81 TYR H A 82 MET H 1.0 . 3.06 582 582 A 82 MET H A 81 TYR HBy 1.0 . 3.86 583 583 A 82 MET H A 83 GLY H 1.0 . 3.58 584 584 A 83 GLY H A 82 MET HGx 1.0 . 4.87 585 585 A 83 GLY H A 82 MET HGy 1.0 . 4.87 586 586 A 84 ALA H A 85 ALA H 1.0 . 3.05 587 587 A 84 ALA HB% A 85 ALA H 1.0 . 2.98 588 588 A 87 SER H A 86 LYS HDy 1.0 . 5.50 589 589 A 87 SER H A 86 LYS HDx 1.0 . 5.50 590 590 A 88 LYS H A 89 LEU H 1.0 . 3.26 591 591 A 89 LEU H A 88 LYS HBy 1.0 . 3.61 592 592 A 89 LEU H A 90 ASN H 1.0 . 3.22 593 593 A 90 ASN H A 89 LEU HBy 1.0 . 3.85 594 594 A 91 ASP H A 92 ALA H 1.0 . 3.32 595 595 A 93 VAL H A 92 ALA H 1.0 . 3.17 596 596 A 93 VAL HB A 94 GLU H 1.0 . 3.35 597 597 A 94 GLU H A 93 VAL HGx% 1.0 . 3.51 598 598 A 94 GLU HA A 95 TYR H 1.0 . 3.55 599 599 A 95 TYR H A 94 GLU HBx 1.0 . 3.89 600 600 A 95 TYR H A 94 GLU HBy 1.0 . 4.05 601 601 A 96 VAL H A 95 TYR HBx 1.0 . 3.76 602 602 A 96 VAL H A 95 TYR HBy 1.0 . 3.76 603 603 A 97 SER H A 98 GLY H 1.0 . 3.18 604 604 A 98 GLY H A 97 SER HBx 1.0 . 3.58 605 605 A 99 ARG H A 98 GLY HAx 1.0 . 3.45 606 606 A 99 ARG H A 100 VAL H 1.0 . 2.94 607 607 A 100 VAL H A 101 HIS H 1.0 . 3.41 608 608 A 101 HIS H A 100 VAL HGy% 1.0 . 4.00 609 609 A 102 GLY H A 101 HIS HBx 1.0 . 5.50 610 610 A 102 GLY H A 101 HIS HBy 1.0 . 5.50 611 611 A 6 ARG H A 6 ARG HBx 1.0 . 3.97 612 612 A 6 ARG H A 6 ARG HBy 1.0 . 3.97 613 613 A 6 ARG H A 6 ARG HGy 1.0 . 4.09 614 614 A 6 ARG H A 6 ARG HGx 1.0 . 4.09 615 615 A 7 LYS H A 7 LYS HBx 1.0 . 4.18 616 616 A 7 LYS H A 7 LYS HBy 1.0 . 4.18 617 617 A 7 LYS H A 7 LYS HGy 1.0 . 5.16 618 618 A 7 LYS H A 7 LYS HGx 1.0 . 5.16 619 619 A 7 LYS H A 6 ARG HGx 1.0 . 5.14 620 620 A 7 LYS H A 7 LYS HEy 1.0 . 5.50 621 621 A 7 LYS H A 7 LYS HEx 1.0 . 5.50 622 622 A 10 GLY H A 10 GLY HAx 1.0 . 2.87 623 623 A 11 GLU H A 11 GLU HBx 1.0 . 3.20 624 624 A 11 GLU H A 11 GLU HBy 1.0 . 3.20 625 625 A 11 GLU H A 11 GLU HGy 1.0 . 3.90 626 626 A 11 GLU H A 11 GLU HGx 1.0 . 3.90 627 627 A 12 LYS H A 12 LYS HGy 1.0 . 3.72 628 628 A 14 SER H A 14 SER HBx 1.0 . 3.46 629 629 A 14 SER H A 14 SER HBy 1.0 . 3.46 630 630 A 12 LYS HA A 15 GLU H 1.0 . 3.31 631 631 A 15 GLU H A 15 GLU HBx 1.0 . 3.01 632 632 A 16 ALA H A 16 ALA HB% 1.0 . 2.57 633 633 A 17 LEU H A 17 LEU HBx 1.0 . 3.56 634 634 A 17 LEU H A 17 LEU HBy 1.0 . 3.56 635 635 A 18 LYS H A 18 LYS HBx 1.0 . 2.97 636 636 A 18 LYS H A 18 LYS HBy 1.0 . 3.28 637 637 A 18 LYS H A 18 LYS HGy 1.0 . 3.87 638 638 A 18 LYS H A 18 LYS HGx 1.0 . 3.87 639 639 A 20 ASP H A 20 ASP HA 1.0 . 2.77 640 640 A 20 ASP H A 20 ASP HBx 1.0 . 3.65 641 641 A 23 LYS H A 23 LYS HGy 1.0 . 4.31 642 642 A 23 LYS H A 23 LYS HGx 1.0 . 4.31 643 643 A 25 TYR HD% A 25 TYR H 1.0 . 4.37 644 644 A 26 ALA H A 26 ALA HB% 1.0 . 2.65 645 645 A 28 GLN H A 28 GLN HBx 1.0 . 3.38 646 646 A 28 GLN H A 28 GLN HGx 1.0 . 3.33 647 647 A 30 LYS H A 30 LYS HGy 1.0 . 3.48 648 648 A 30 LYS H A 30 LYS HGx 1.0 . 3.81 649 649 A 30 LYS H A 30 LYS HDy 1.0 . 4.79 650 650 A 33 ILE HG2% A 33 ILE H 1.0 . 3.76 651 651 A 33 ILE H A 33 ILE HG1y 1.0 . 3.71 652 652 A 33 ILE HD1% A 33 ILE H 1.0 . 3.97 653 653 A 34 THR HB A 34 THR H 1.0 . 3.46 654 654 A 34 THR HG2% A 34 THR H 1.0 . 3.08 655 655 A 35 ASP H A 35 ASP HBy 1.0 . 2.88 656 656 A 36 LYS HA A 36 LYS H 1.0 . 2.93 657 657 A 36 LYS H A 36 LYS HBy 1.0 . 3.57 658 658 A 36 LYS HGx A 36 LYS H 1.0 . 3.09 659 659 A 36 LYS H A 36 LYS HGy 1.0 . 3.14 660 660 A 37 ALA H A 37 ALA HB% 1.0 . 2.76 661 661 A 38 ASP H A 38 ASP HBx 1.0 . 3.05 662 662 A 38 ASP H A 38 ASP HBy 1.0 . 3.05 663 663 A 39 LYS H A 39 LYS HA 1.0 . 2.84 664 664 A 39 LYS H A 39 LYS HGx 1.0 . 3.49 665 665 A 40 VAL H A 40 VAL HB 1.0 . 2.94 666 666 A 40 VAL H A 40 VAL HGx% 1.0 . 3.61 667 667 A 41 ALA H A 41 ALA HB% 1.0 . 2.56 668 668 A 43 LYS H A 43 LYS HBx 1.0 . 2.99 669 669 A 43 LYS HBy A 43 LYS H 1.0 . 4.05 670 670 A 44 VAL H A 44 VAL HGx% 1.0 . 3.87 671 671 A 45 GLN H A 45 GLN HBx 1.0 . 3.51 672 672 A 48 ASP H A 48 ASP HBx 1.0 . 4.11 673 673 A 50 LYS H A 50 LYS HBx 1.0 . 3.76 674 674 A 50 LYS H A 50 LYS HBy 1.0 . 3.76 675 675 A 53 PHE H A 53 PHE HBy 1.0 . 3.44 676 676 A 54 GLN H A 54 GLN HBx 1.0 . 2.92 677 677 A 54 GLN H A 54 GLN HGx 1.0 . 3.62 678 678 A 56 VAL H A 56 VAL HB 1.0 . 3.07 679 679 A 56 VAL H A 56 VAL HGx% 1.0 . 3.95 680 680 A 60 ALA H A 60 ALA HB% 1.0 . 4.00 681 681 A 61 GLU H A 61 GLU HBx 1.0 . 3.99 682 682 A 62 LYS HA A 64 LYS H 1.0 . 5.40 683 683 A 72 GLU H A 72 GLU HBy 1.0 . 4.13 684 684 A 74 LEU H A 74 LEU HBy 1.0 . 3.28 685 685 A 74 LEU H A 74 LEU HDx% 1.0 . 4.59 686 686 A 74 LEU H A 74 LEU HDy% 1.0 . 4.59 687 687 A 75 ALA H A 75 ALA HB% 1.0 . 2.75 688 688 A 76 ASP H A 76 ASP HBx 1.0 . 3.14 689 689 A 78 ALA HB% A 78 ALA H 1.0 . 2.84 690 690 A 79 ARG H A 79 ARG HBx 1.0 . 3.49 691 691 A 79 ARG H A 79 ARG HBy 1.0 . 3.49 692 692 A 80 ASP H A 80 ASP HBy 1.0 . 3.26 693 693 A 82 MET H A 82 MET HGx 1.0 . 3.78 694 694 A 83 GLY H A 83 GLY HAx 1.0 . 2.93 695 695 A 83 GLY H A 83 GLY HAy 1.0 . 2.93 696 696 A 84 ALA HB% A 84 ALA H 1.0 . 2.79 697 697 A 85 ALA HB% A 85 ALA H 1.0 . 2.91 698 698 A 86 LYS H A 86 LYS HGx 1.0 . 3.95 699 699 A 86 LYS H A 86 LYS HDy 1.0 . 4.49 700 700 A 88 LYS H A 88 LYS HBx 1.0 . 3.38 701 701 A 88 LYS H A 88 LYS HBy 1.0 . 3.38 702 702 A 57 HIS H A 56 VAL HGy% 1.0 . 5.50 703 703 A 90 ASN H A 90 ASN HBy 1.0 . 3.26 704 704 A 92 ALA H A 92 ALA HB% 1.0 . 2.81 705 705 A 94 GLU H A 94 GLU HBx 1.0 . 3.16 706 706 A 94 GLU H A 94 GLU HBy 1.0 . 3.13 707 707 A 95 TYR H A 95 TYR HBx 1.0 . 3.29 708 708 A 95 TYR H A 95 TYR HBy 1.0 . 3.29 709 709 A 97 SER H A 97 SER HBy 1.0 . 3.32 710 710 A 97 SER H A 97 SER HBx 1.0 . 3.32 711 711 A 99 ARG H A 99 ARG HBx 1.0 . 3.05 712 712 A 99 ARG H A 99 ARG HGy 1.0 . 3.94 713 713 A 99 ARG H A 99 ARG HDx 1.0 . 5.33 714 714 A 99 ARG H A 99 ARG HDy 1.0 . 5.33 715 715 A 100 VAL H A 100 VAL HGx% 1.0 . 4.03 716 716 A 100 VAL H A 100 VAL HGy% 1.0 . 4.03 717 717 A 107 THR H A 107 THR HG2% 1.0 . 4.73 718 718 A 12 LYS H A 11 GLU H 1.0 . 3.34 719 719 A 12 LYS H A 13 ALA H 1.0 . 3.08 720 720 A 17 LEU H A 16 ALA H 1.0 . 3.05 721 721 A 23 LYS H A 24 SER H 1.0 . 4.45 722 722 A 25 TYR H A 24 SER H 1.0 . 4.78 723 723 A 28 GLN H A 29 GLY H 1.0 . 3.04 724 724 A 35 ASP H A 34 THR H 1.0 . 2.97 725 725 A 35 ASP H A 36 LYS H 1.0 . 2.97 726 726 A 37 ALA H A 38 ASP H 1.0 . 3.11 727 727 A 40 VAL H A 41 ALA H 1.0 . 2.83 728 728 A 44 VAL H A 43 LYS H 1.0 . 2.75 729 729 A 47 GLU H A 48 ASP H 1.0 . 3.81 730 730 A 52 VAL H A 51 GLY H 1.0 . 3.76 731 731 A 52 VAL H A 53 PHE H 1.0 . 3.66 732 732 A 61 GLU H A 62 LYS H 1.0 . 4.57 733 733 A 74 LEU H A 75 ALA H 1.0 . 3.31 734 734 A 76 ASP H A 75 ALA H 1.0 . 3.13 735 735 A 76 ASP H A 77 GLN H 1.0 . 3.15 736 736 A 77 GLN H A 78 ALA H 1.0 . 3.20 737 737 A 80 ASP H A 81 TYR H 1.0 . 3.31 738 738 A 83 GLY H A 84 ALA H 1.0 . 3.19 739 739 A 86 LYS H A 87 SER H 1.0 . 3.19 740 740 A 90 ASN H A 91 ASP H 1.0 . 3.06 741 741 A 32 TYR H A 33 ILE H 1.0 . 3.23 742 742 A 93 VAL H A 94 GLU H 1.0 . 3.20 743 743 A 96 VAL H A 95 TYR H 1.0 . 3.31 744 744 A 96 VAL H A 97 SER H 1.0 . 3.17 745 745 A 99 ARG H A 98 GLY H 1.0 . 3.09 746 746 A 10 GLY H A 13 ALA HB% 1.0 . 4.30 747 747 A 27 GLU H A 29 GLY H 1.0 . 4.28 748 748 A 17 LEU HG A 16 ALA H 1.0 . 4.01 749 749 A 33 ILE HG2% A 37 ALA H 1.0 . 3.94 750 750 A 25 TYR HA A 28 GLN H 1.0 . 4.23 751 751 A 35 ASP H A 31 GLU HA 1.0 . 4.13 752 752 A 33 ILE HA A 35 ASP H 1.0 . 4.37 753 753 A 33 ILE HA A 36 LYS H 1.0 . 3.67 754 754 A 34 THR HA A 36 LYS H 1.0 . 4.05 755 755 A 33 ILE HA A 37 ALA H 1.0 . 4.23 756 756 A 34 THR HA A 37 ALA H 1.0 . 3.54 757 757 A 35 ASP HA A 37 ALA H 1.0 . 4.54 758 758 A 34 THR HA A 38 ASP H 1.0 . 4.84 759 759 A 36 LYS HA A 38 ASP H 1.0 . 4.09 760 760 A 39 LYS H A 37 ALA HA 1.0 . 4.68 761 761 A 36 LYS H A 34 THR H 1.0 . 5.08 762 762 A 35 ASP H A 33 ILE H 1.0 . 4.83 763 763 A 39 LYS H A 37 ALA H 1.0 . 4.41 764 764 A 35 ASP H A 37 ALA H 1.0 . 4.45 765 765 A 44 VAL H A 42 GLY H 1.0 . 4.85 766 766 A 40 VAL H A 37 ALA HA 1.0 . 3.86 767 767 A 41 ALA H A 37 ALA HA 1.0 . 4.02 768 768 A 38 ASP HA A 41 ALA H 1.0 . 3.94 769 769 A 89 LEU H A 89 LEU HBx 1.0 . 3.41 770 770 A 56 VAL H A 54 GLN HA 1.0 . 5.50 771 771 A 74 LEU HA A 76 ASP H 1.0 . 4.13 772 772 A 77 GLN H A 78 ALA HB% 1.0 . 4.03 773 773 A 81 TYR HA A 84 ALA H 1.0 . 4.25 774 774 A 75 ALA HA A 78 ALA H 1.0 . 3.82 775 775 A 86 LYS HA A 89 LEU H 1.0 . 3.98 776 776 A 89 LEU H A 85 ALA HA 1.0 . 3.96 777 777 A 86 LYS H A 89 LEU H 1.0 . 5.50 778 778 A 89 LEU H A 87 SER H 1.0 . 5.03 779 779 A 87 SER H A 85 ALA H 1.0 . 5.50 780 780 A 89 LEU HA A 92 ALA H 1.0 . 3.90 781 781 A 93 VAL HA A 96 VAL H 1.0 . 4.35 782 782 A 94 GLU HA A 96 VAL H 1.0 . 4.56 783 783 A 96 VAL H A 98 GLY H 1.0 . 4.79 784 784 A 97 SER H A 95 TYR H 1.0 . 4.17 785 785 A 91 ASP H A 93 VAL H 1.0 . 4.14 786 786 A 97 SER H A 99 ARG H 1.0 . 4.48 787 787 A 93 VAL HA A 97 SER H 1.0 . 4.12 788 788 A 96 VAL HA A 98 GLY H 1.0 . 4.54 789 789 A 96 VAL HA A 100 VAL H 1.0 . 4.80 790 790 A 98 GLY H A 99 ARG HBx 1.0 . 4.77 791 791 A 96 VAL HGx% A 98 GLY H 1.0 . 4.74 792 792 A 96 VAL HGx% A 99 ARG H 1.0 . 4.56 793 793 A 76 ASP H A 78 ALA H 1.0 . 4.98 794 794 A 74 LEU H A 76 ASP H 1.0 . 4.91 795 795 A 80 ASP H A 82 MET H 1.0 . 5.20 796 796 A 82 MET H A 84 ALA H 1.0 . 4.96 797 797 A 88 LYS H A 90 ASN H 1.0 . 4.81 798 798 A 94 GLU H A 92 ALA H 1.0 . 4.71 799 799 A 99 ARG H A 101 HIS H 1.0 . 4.91 800 800 A 74 LEU H A 73 SER HA 1.0 . 3.11 801 801 A 74 LEU HG A 74 LEU H 1.0 . 4.67 802 802 A 79 ARG H A 76 ASP HA 1.0 . 4.35 803 803 A 80 ASP H A 76 ASP HA 1.0 . 4.73 804 804 A 81 TYR H A 77 GLN HA 1.0 . 4.64 805 805 A 80 ASP HA A 84 ALA H 1.0 . 5.50 806 806 A 81 TYR HA A 85 ALA H 1.0 . 4.99 807 807 A 82 MET HA A 85 ALA H 1.0 . 4.16 808 808 A 82 MET HA A 86 LYS H 1.0 . 5.01 809 809 A 87 SER H A 84 ALA HA 1.0 . 4.62 810 810 A 86 LYS HA A 90 ASN H 1.0 . 5.38 811 811 A 90 ASN H A 87 SER HA 1.0 . 4.37 812 812 A 91 ASP H A 87 SER HA 1.0 . 4.42 813 813 A 88 LYS HA A 91 ASP H 1.0 . 4.34 814 814 A 88 LYS HA A 92 ALA H 1.0 . 4.49 815 815 A 89 LEU HA A 93 VAL H 1.0 . 4.96 816 816 A 93 VAL H A 90 ASN HA 1.0 . 3.91 817 817 A 94 GLU H A 90 ASN HA 1.0 . 4.39 818 818 A 94 GLU H A 91 ASP HA 1.0 . 4.21 819 819 A 95 TYR H A 91 ASP HA 1.0 . 5.21 820 820 A 92 ALA HA A 95 TYR H 1.0 . 4.66 821 821 A 95 TYR HA A 98 GLY H 1.0 . 4.38 822 822 A 97 SER HA A 99 ARG H 1.0 . 4.04 823 823 A 97 SER HA A 100 VAL H 1.0 . 4.12 824 824 A 97 SER HA A 101 HIS H 1.0 . 5.07 825 825 A 9 PHE HA A 10 GLY H 1.0 . 3.41 826 826 A 13 ALA HA A 16 ALA H 1.0 . 3.46 827 827 A 18 LYS H A 19 PRO HDy 1.0 . 5.50 828 828 A 18 LYS H A 19 PRO HDx 1.0 . 5.50 829 829 A 20 ASP H A 19 PRO HDy 1.0 . 5.50 830 830 A 33 ILE H A 29 GLY HAx 1.0 . 5.50 831 831 A 30 LYS HA A 33 ILE H 1.0 . 4.05 832 832 A 32 TYR HA A 35 ASP H 1.0 . 4.57 833 833 A 29 GLY H A 26 ALA HA 1.0 . 4.44 834 834 A 27 GLU HA A 29 GLY H 1.0 . 4.55 835 835 A 27 GLU HA A 30 LYS H 1.0 . 3.65 836 836 A 30 LYS H A 26 ALA HA 1.0 . 4.42 837 837 A 28 GLN HA A 30 LYS H 1.0 . 5.11 838 838 A 27 GLU HA A 31 GLU H 1.0 . 3.92 839 839 A 32 TYR H A 29 GLY HAy 1.0 . 4.29 840 840 A 30 LYS HGx A 31 GLU H 1.0 . 4.04 841 841 A 43 LYS H A 43 LYS HDy 1.0 . 4.84 842 842 A 43 LYS H A 43 LYS HDx 1.0 . 4.84 843 843 A 43 LYS H A 39 LYS HA 1.0 . 3.62 844 844 A 41 ALA H A 40 VAL HB 1.0 . 3.95 845 845 A 9 PHE HA A 12 LYS H 1.0 . 4.20 846 846 A 13 ALA H A 12 LYS HBy 1.0 . 3.57 847 847 A 44 VAL H A 45 GLN H 1.0 . 4.49 848 848 A 58 ASP HA A 59 SER H 1.0 . 3.45 849 849 A 80 ASP H A 77 GLN HA 1.0 . 3.84 850 850 A 88 LYS H A 84 ALA HA 1.0 . 4.46 851 851 A 74 LEU HA A 78 ALA H 1.0 . 4.37 852 852 A 79 ARG H A 75 ALA HA 1.0 . 4.64 853 853 A 79 ARG HA A 83 GLY H 1.0 . 3.57 854 854 A 96 VAL H A 92 ALA HA 1.0 . 5.11 855 855 A 94 GLU HA A 98 GLY H 1.0 . 4.25 856 856 A 94 GLU H A 94 GLU HGx 1.0 . 3.78 857 857 A 91 ASP H A 90 ASN HBy 1.0 . 3.65 858 858 A 91 ASP H A 90 ASN HBx 1.0 . 3.65 859 859 A 74 LEU H A 75 ALA HB% 1.0 . 4.98 860 860 A 75 ALA H A 73 SER HBx 1.0 . 4.51 861 861 A 79 ARG H A 79 ARG HGx 1.0 . 4.52 862 862 A 88 LYS H A 88 LYS HDx 1.0 . 4.31 863 863 A 88 LYS H A 88 LYS HDy 1.0 . 4.31 864 864 A 29 GLY H A 31 GLU H 1.0 . 4.99 865 865 A 99 ARG HBy A 99 ARG H 1.0 . 3.32 866 866 A 39 LYS H A 39 LYS HGy 1.0 . 3.49 867 867 A 6 ARG H A 6 ARG HBy 1.0 . 3.48 868 867 A 6 ARG H A 6 ARG HBx 1.0 . 3.48 869 868 A 6 ARG H A 6 ARG HGx 1.0 . 3.57 870 868 A 6 ARG H A 6 ARG HGy 1.0 . 3.57 871 869 A 6 ARG HA A 6 ARG HBy 1.0 . 2.55 872 869 A 6 ARG HA A 6 ARG HBx 1.0 . 2.55 873 870 A 6 ARG HA A 6 ARG HGx 1.0 . 3.05 874 870 A 6 ARG HA A 6 ARG HGy 1.0 . 3.05 875 871 A 6 ARG HBy A 6 ARG HDx 1.0 . 3.07 876 871 A 6 ARG HBx A 6 ARG HDx 1.0 . 3.07 877 871 A 6 ARG HDy A 6 ARG HBy 1.0 . 3.07 878 871 A 6 ARG HBx A 6 ARG HDy 1.0 . 3.07 879 872 A 7 LYS H A 6 ARG HBy 1.0 . 3.64 880 872 A 7 LYS H A 6 ARG HBx 1.0 . 3.64 881 873 A 7 LYS H A 6 ARG HGx 1.0 . 4.52 882 873 A 7 LYS H A 6 ARG HGy 1.0 . 4.52 883 874 A 7 LYS H A 7 LYS HBy 1.0 . 3.67 884 874 A 7 LYS H A 7 LYS HBx 1.0 . 3.67 885 875 A 7 LYS H A 7 LYS HGx 1.0 . 4.30 886 875 A 7 LYS H A 7 LYS HGy 1.0 . 4.30 887 876 A 7 LYS H A 10 GLY HAy 1.0 . 4.40 888 876 A 7 LYS H A 10 GLY HAx 1.0 . 4.40 889 877 A 8 GLY H A 7 LYS HBy 1.0 . 3.54 890 877 A 8 GLY H A 7 LYS HBx 1.0 . 3.54 891 878 A 8 GLY H A 7 LYS HGx 1.0 . 4.33 892 878 A 8 GLY H A 7 LYS HGy 1.0 . 4.33 893 879 A 9 PHE H A 8 GLY HAx 1.0 . 2.98 894 879 A 9 PHE H A 8 GLY HAy 1.0 . 2.98 895 880 A 10 GLY H A 8 GLY HAx 1.0 . 4.34 896 880 A 10 GLY H A 8 GLY HAy 1.0 . 4.34 897 881 A 9 PHE H A 9 PHE HBy 1.0 . 2.75 898 881 A 9 PHE H A 9 PHE HBx 1.0 . 2.75 899 882 A 9 PHE HA A 12 LYS HBy 1.0 . 3.78 900 882 A 9 PHE HA A 12 LYS HBx 1.0 . 3.78 901 883 A 10 GLY H A 9 PHE HBy 1.0 . 3.06 902 883 A 10 GLY H A 9 PHE HBx 1.0 . 3.06 903 884 A 10 GLY H A 10 GLY HAy 1.0 . 2.45 904 884 A 10 GLY H A 10 GLY HAx 1.0 . 2.45 905 885 A 11 GLU H A 10 GLY HAy 1.0 . 3.00 906 885 A 11 GLU H A 10 GLY HAx 1.0 . 3.00 907 886 A 12 LYS H A 10 GLY HAy 1.0 . 4.21 908 886 A 12 LYS H A 10 GLY HAx 1.0 . 4.21 909 887 A 13 ALA H A 10 GLY HAy 1.0 . 4.25 910 887 A 13 ALA H A 10 GLY HAx 1.0 . 4.25 911 888 A 13 ALA HB% A 10 GLY HAy 1.0 . 3.18 912 888 A 13 ALA HB% A 10 GLY HAx 1.0 . 3.18 913 889 A 14 SER H A 10 GLY HAy 1.0 . 4.60 914 889 A 14 SER H A 10 GLY HAx 1.0 . 4.60 915 890 A 11 GLU H A 11 GLU HGy 1.0 . 3.31 916 890 A 11 GLU H A 11 GLU HGx 1.0 . 3.31 917 891 A 11 GLU HA A 11 GLU HGy 1.0 . 3.14 918 891 A 11 GLU HA A 11 GLU HGx 1.0 . 3.14 919 892 A 11 GLU HA A 14 SER HBx 1.0 . 3.40 920 892 A 11 GLU HA A 14 SER HBy 1.0 . 3.40 921 893 A 12 LYS H A 11 GLU HBy 1.0 . 3.38 922 893 A 12 LYS H A 11 GLU HBx 1.0 . 3.38 923 894 A 12 LYS H A 11 GLU HGy 1.0 . 4.23 924 894 A 12 LYS H A 11 GLU HGx 1.0 . 4.23 925 895 A 12 LYS H A 12 LYS HBy 1.0 . 2.97 926 895 A 12 LYS H A 12 LYS HBx 1.0 . 2.97 927 896 A 12 LYS H A 12 LYS HGy 1.0 . 3.13 928 896 A 12 LYS H A 12 LYS HGx 1.0 . 3.13 929 897 A 12 LYS HA A 12 LYS HGy 1.0 . 3.16 930 897 A 12 LYS HA A 12 LYS HGx 1.0 . 3.16 931 898 A 12 LYS HA A 12 LYS HDx 1.0 . 3.48 932 898 A 12 LYS HA A 12 LYS HDy 1.0 . 3.48 933 899 A 12 LYS HBx A 12 LYS HDx 1.0 . 3.21 934 899 A 12 LYS HBy A 12 LYS HDx 1.0 . 3.21 935 899 A 12 LYS HDy A 12 LYS HBy 1.0 . 3.21 936 899 A 12 LYS HBx A 12 LYS HDy 1.0 . 3.21 937 900 A 15 GLU H A 12 LYS HBy 1.0 . 4.56 938 900 A 15 GLU H A 12 LYS HBx 1.0 . 4.56 939 901 A 13 ALA H A 12 LYS HGy 1.0 . 3.67 940 901 A 13 ALA H A 12 LYS HGx 1.0 . 3.67 941 902 A 13 ALA HB% A 17 LEU HDx% 1.0 . 3.68 942 902 A 13 ALA HB% A 17 LEU HDy% 1.0 . 3.68 943 903 A 14 SER HA A 17 LEU HBy 1.0 . 3.98 944 903 A 14 SER HA A 17 LEU HBx 1.0 . 3.98 945 904 A 14 SER HA A 17 LEU HDx% 1.0 . 4.55 946 904 A 14 SER HA A 17 LEU HDy% 1.0 . 4.55 947 905 A 14 SER HBy A 17 LEU HDx% 1.0 . 4.51 948 905 A 14 SER HBx A 17 LEU HDx% 1.0 . 4.51 949 905 A 17 LEU HDy% A 14 SER HBx 1.0 . 4.51 950 905 A 14 SER HBy A 17 LEU HDy% 1.0 . 4.51 951 906 A 15 GLU HA A 15 GLU HGy 1.0 . 3.14 952 906 A 15 GLU HA A 15 GLU HGx 1.0 . 3.14 953 907 A 16 ALA HB% A 17 LEU HDx% 1.0 . 4.00 954 907 A 16 ALA HB% A 17 LEU HDy% 1.0 . 4.00 955 908 A 17 LEU H A 17 LEU HBy 1.0 . 2.98 956 908 A 17 LEU H A 17 LEU HBx 1.0 . 2.98 957 909 A 17 LEU H A 17 LEU HDx% 1.0 . 3.48 958 909 A 17 LEU H A 17 LEU HDy% 1.0 . 3.48 959 910 A 17 LEU HA A 17 LEU HDx% 1.0 . 3.30 960 910 A 17 LEU HA A 17 LEU HDy% 1.0 . 3.30 961 911 A 17 LEU HBx A 17 LEU HDx% 1.0 . 2.54 962 911 A 17 LEU HBy A 17 LEU HDx% 1.0 . 2.54 963 911 A 17 LEU HDy% A 17 LEU HBy 1.0 . 2.54 964 911 A 17 LEU HDy% A 17 LEU HBx 1.0 . 2.54 965 912 A 18 LYS H A 17 LEU HBy 1.0 . 3.23 966 912 A 18 LYS H A 17 LEU HBx 1.0 . 3.23 967 913 A 18 LYS HA A 17 LEU HBy 1.0 . 4.48 968 913 A 18 LYS HA A 17 LEU HBx 1.0 . 4.48 969 914 A 18 LYS H A 17 LEU HDx% 1.0 . 3.77 970 914 A 18 LYS H A 17 LEU HDy% 1.0 . 3.77 971 915 A 18 LYS HA A 18 LYS HGx 1.0 . 3.73 972 915 A 18 LYS HA A 18 LYS HGy 1.0 . 3.73 973 916 A 18 LYS HA A 18 LYS HDx 1.0 . 4.08 974 916 A 18 LYS HA A 18 LYS HDy 1.0 . 4.08 975 917 A 20 ASP H A 19 PRO HBy 1.0 . 3.88 976 917 A 20 ASP H A 19 PRO HBx 1.0 . 3.88 977 918 A 20 ASP H A 19 PRO HGx 1.0 . 4.50 978 918 A 20 ASP H A 19 PRO HGy 1.0 . 4.50 979 919 A 20 ASP H A 19 PRO HDx 1.0 . 4.79 980 919 A 20 ASP H A 19 PRO HDy 1.0 . 4.79 981 920 A 21 SER HA A 21 SER HBx 1.0 . 2.58 982 920 A 21 SER HA A 21 SER HBy 1.0 . 2.58 983 921 A 22 GLN H A 22 GLN HGx 1.0 . 5.34 984 921 A 22 GLN H A 22 GLN HGy 1.0 . 5.34 985 922 A 23 LYS H A 22 GLN HBy 1.0 . 3.44 986 922 A 23 LYS H A 22 GLN HBx 1.0 . 3.44 987 923 A 23 LYS H A 22 GLN HGx 1.0 . 4.47 988 923 A 23 LYS H A 22 GLN HGy 1.0 . 4.47 989 924 A 23 LYS H A 23 LYS HBx 1.0 . 3.10 990 924 A 23 LYS H A 23 LYS HBy 1.0 . 3.10 991 925 A 23 LYS H A 23 LYS HGx 1.0 . 3.54 992 925 A 23 LYS H A 23 LYS HGy 1.0 . 3.54 993 926 A 23 LYS HA A 23 LYS HGx 1.0 . 3.63 994 926 A 23 LYS HA A 23 LYS HGy 1.0 . 3.63 995 927 A 23 LYS HA A 23 LYS HDx 1.0 . 4.59 996 927 A 23 LYS HA A 23 LYS HDy 1.0 . 4.59 997 928 A 23 LYS HBy A 23 LYS HEy 1.0 . 4.00 998 928 A 23 LYS HBx A 23 LYS HEy 1.0 . 4.00 999 928 A 23 LYS HEx A 23 LYS HBx 1.0 . 4.00 1000 928 A 23 LYS HBy A 23 LYS HEx 1.0 . 4.00 1001 929 A 24 SER H A 23 LYS HBx 1.0 . 4.03 1002 929 A 24 SER H A 23 LYS HBy 1.0 . 4.03 1003 930 A 24 SER H A 23 LYS HGx 1.0 . 5.34 1004 930 A 24 SER H A 23 LYS HGy 1.0 . 5.34 1005 931 A 24 SER H A 24 SER HBx 1.0 . 3.69 1006 931 A 24 SER H A 24 SER HBy 1.0 . 3.69 1007 932 A 24 SER HA A 27 GLU HBx 1.0 . 4.73 1008 932 A 24 SER HA A 27 GLU HBy 1.0 . 4.73 1009 933 A 25 TYR H A 24 SER HBx 1.0 . 3.21 1010 933 A 25 TYR H A 24 SER HBy 1.0 . 3.21 1011 934 A 25 TYR H A 25 TYR HBy 1.0 . 3.01 1012 934 A 25 TYR H A 25 TYR HBx 1.0 . 3.01 1013 935 A 28 GLN H A 25 TYR HBy 1.0 . 4.89 1014 935 A 28 GLN H A 25 TYR HBx 1.0 . 4.89 1015 936 A 27 GLU H A 27 GLU HBx 1.0 . 2.79 1016 936 A 27 GLU H A 27 GLU HBy 1.0 . 2.79 1017 937 A 27 GLU H A 27 GLU HGx 1.0 . 3.78 1018 937 A 27 GLU H A 27 GLU HGy 1.0 . 3.78 1019 938 A 27 GLU HA A 27 GLU HGx 1.0 . 3.16 1020 938 A 27 GLU HA A 27 GLU HGy 1.0 . 3.16 1021 939 A 27 GLU HA A 30 LYS HDy 1.0 . 4.50 1022 939 A 27 GLU HA A 30 LYS HDx 1.0 . 4.50 1023 940 A 28 GLN HA A 31 GLU HBy 1.0 . 3.33 1024 940 A 28 GLN HA A 31 GLU HBx 1.0 . 3.33 1025 941 A 28 GLN HGx A 28 GLN HE2y 1.0 . 3.41 1026 941 A 28 GLN HGx A 28 GLN HE2x 1.0 . 3.41 1027 942 A 28 GLN HGy A 28 GLN HE2y 1.0 . 3.58 1028 942 A 28 GLN HGy A 28 GLN HE2x 1.0 . 3.58 1029 943 A 29 GLY H A 29 GLY HAy 1.0 . 2.54 1030 943 A 29 GLY H A 29 GLY HAx 1.0 . 2.54 1031 944 A 30 LYS H A 29 GLY HAy 1.0 . 3.04 1032 944 A 30 LYS H A 29 GLY HAx 1.0 . 3.04 1033 945 A 29 GLY HAx A 32 TYR HBy 1.0 . 3.02 1034 945 A 29 GLY HAy A 32 TYR HBy 1.0 . 3.02 1035 945 A 32 TYR HBx A 29 GLY HAy 1.0 . 3.02 1036 945 A 29 GLY HAx A 32 TYR HBx 1.0 . 3.02 1037 946 A 33 ILE H A 29 GLY HAy 1.0 . 4.83 1038 946 A 33 ILE H A 29 GLY HAx 1.0 . 4.83 1039 947 A 30 LYS H A 30 LYS HDy 1.0 . 4.16 1040 947 A 30 LYS H A 30 LYS HDx 1.0 . 4.16 1041 948 A 30 LYS HA A 30 LYS HDy 1.0 . 4.41 1042 948 A 30 LYS HA A 30 LYS HDx 1.0 . 4.41 1043 949 A 30 LYS HBx A 30 LYS HDy 1.0 . 3.21 1044 949 A 30 LYS HBx A 30 LYS HDx 1.0 . 3.21 1045 950 A 30 LYS HBx A 30 LYS HEx 1.0 . 4.56 1046 950 A 30 LYS HBx A 30 LYS HEy 1.0 . 4.56 1047 951 A 30 LYS HBy A 30 LYS HDy 1.0 . 3.35 1048 951 A 30 LYS HBy A 30 LYS HDx 1.0 . 3.35 1049 952 A 30 LYS HBy A 30 LYS HEx 1.0 . 4.01 1050 952 A 30 LYS HBy A 30 LYS HEy 1.0 . 4.01 1051 953 A 30 LYS HGy A 30 LYS HEx 1.0 . 3.34 1052 953 A 30 LYS HGy A 30 LYS HEy 1.0 . 3.34 1053 954 A 31 GLU H A 30 LYS HDy 1.0 . 4.06 1054 954 A 31 GLU H A 30 LYS HDx 1.0 . 4.06 1055 955 A 31 GLU H A 31 GLU HBy 1.0 . 3.19 1056 955 A 31 GLU H A 31 GLU HBx 1.0 . 3.19 1057 956 A 31 GLU H A 31 GLU HG2 1.0 . 3.59 1058 956 A 31 GLU H A 31 GLU HG3 1.0 . 3.59 1059 957 A 31 GLU HA A 31 GLU HG2 1.0 . 3.42 1060 957 A 31 GLU HA A 31 GLU HG3 1.0 . 3.42 1061 958 A 32 TYR H A 31 GLU HBy 1.0 . 3.91 1062 958 A 32 TYR H A 31 GLU HBx 1.0 . 3.91 1063 959 A 32 TYR H A 31 GLU HG2 1.0 . 4.20 1064 959 A 32 TYR H A 31 GLU HG3 1.0 . 4.20 1065 960 A 32 TYR H A 33 ILE HG1y 1.0 . 5.06 1066 960 A 32 TYR H A 33 ILE HG1x 1.0 . 5.06 1067 961 A 32 TYR HA A 35 ASP HBx 1.0 . 3.33 1068 961 A 32 TYR HA A 35 ASP HBy 1.0 . 3.33 1069 962 A 33 ILE H A 32 TYR HBy 1.0 . 3.15 1070 962 A 33 ILE H A 32 TYR HBx 1.0 . 3.15 1071 963 A 32 TYR HD% A 33 ILE HG1y 1.0 . 3.79 1072 963 A 32 TYR HD% A 33 ILE HG1x 1.0 . 3.79 1073 964 A 33 ILE H A 33 ILE HG1y 1.0 . 3.07 1074 964 A 33 ILE H A 33 ILE HG1x 1.0 . 3.07 1075 965 A 33 ILE HA A 36 LYS HBy 1.0 . 3.81 1076 965 A 33 ILE HA A 36 LYS HBx 1.0 . 3.81 1077 966 A 34 THR H A 33 ILE HG1y 1.0 . 4.19 1078 966 A 34 THR H A 33 ILE HG1x 1.0 . 4.19 1079 967 A 35 ASP HA A 35 ASP HBx 1.0 . 2.55 1080 967 A 35 ASP HA A 35 ASP HBy 1.0 . 2.55 1081 968 A 35 ASP HA A 38 ASP HBx 1.0 . 3.31 1082 968 A 35 ASP HA A 38 ASP HBy 1.0 . 3.31 1083 969 A 36 LYS H A 35 ASP HBx 1.0 . 2.90 1084 969 A 36 LYS H A 35 ASP HBy 1.0 . 2.90 1085 970 A 36 LYS H A 36 LYS HDy 1.0 . 4.07 1086 970 A 36 LYS H A 36 LYS HDx 1.0 . 4.07 1087 971 A 36 LYS HBx A 36 LYS HDy 1.0 . 3.32 1088 971 A 36 LYS HBy A 36 LYS HDy 1.0 . 3.32 1089 971 A 36 LYS HDx A 36 LYS HBy 1.0 . 3.32 1090 971 A 36 LYS HBx A 36 LYS HDx 1.0 . 3.32 1091 972 A 36 LYS HBy A 36 LYS HEx 1.0 . 4.40 1092 972 A 36 LYS HBx A 36 LYS HEx 1.0 . 4.40 1093 972 A 36 LYS HEy A 36 LYS HBy 1.0 . 4.40 1094 972 A 36 LYS HBx A 36 LYS HEy 1.0 . 4.40 1095 973 A 37 ALA H A 36 LYS HBy 1.0 . 3.11 1096 973 A 37 ALA H A 36 LYS HBx 1.0 . 3.11 1097 974 A 36 LYS HGx A 36 LYS HEx 1.0 . 3.17 1098 974 A 36 LYS HGx A 36 LYS HEy 1.0 . 3.17 1099 975 A 37 ALA HA A 40 VAL HGy% 1.0 . 3.69 1100 975 A 37 ALA HA A 40 VAL HGx% 1.0 . 3.69 1101 976 A 38 ASP H A 38 ASP HBx 1.0 . 2.65 1102 976 A 38 ASP H A 38 ASP HBy 1.0 . 2.65 1103 977 A 40 VAL H A 40 VAL HGy% 1.0 . 3.06 1104 977 A 40 VAL H A 40 VAL HGx% 1.0 . 3.06 1105 978 A 40 VAL HA A 40 VAL HGy% 1.0 . 2.57 1106 978 A 40 VAL HA A 40 VAL HGx% 1.0 . 2.57 1107 979 A 40 VAL HA A 43 LYS HGx 1.0 . 3.87 1108 979 A 40 VAL HA A 43 LYS HGy 1.0 . 3.87 1109 980 A 41 ALA HA A 40 VAL HGy% 1.0 . 3.23 1110 980 A 41 ALA HA A 40 VAL HGx% 1.0 . 3.23 1111 981 A 41 ALA HA A 44 VAL HGy% 1.0 . 3.99 1112 981 A 41 ALA HA A 44 VAL HGx% 1.0 . 3.99 1113 982 A 43 LYS H A 42 GLY HAy 1.0 . 2.96 1114 982 A 43 LYS H A 42 GLY HAx 1.0 . 2.96 1115 983 A 43 LYS H A 43 LYS HGx 1.0 . 3.34 1116 983 A 43 LYS H A 43 LYS HGy 1.0 . 3.34 1117 984 A 43 LYS H A 44 VAL HGy% 1.0 . 3.61 1118 984 A 43 LYS H A 44 VAL HGx% 1.0 . 3.61 1119 985 A 43 LYS HA A 43 LYS HGx 1.0 . 3.10 1120 985 A 43 LYS HA A 43 LYS HGy 1.0 . 3.10 1121 986 A 43 LYS HBx A 43 LYS HDy 1.0 . 3.51 1122 986 A 43 LYS HBx A 43 LYS HDx 1.0 . 3.51 1123 987 A 44 VAL H A 44 VAL HGy% 1.0 . 2.89 1124 987 A 44 VAL H A 44 VAL HGx% 1.0 . 2.89 1125 988 A 44 VAL HA A 44 VAL HGy% 1.0 . 2.66 1126 988 A 44 VAL HA A 44 VAL HGx% 1.0 . 2.66 1127 989 A 45 GLN H A 44 VAL HGy% 1.0 . 3.45 1128 989 A 45 GLN H A 44 VAL HGx% 1.0 . 3.45 1129 990 A 44 VAL HGx% A 46 PRO HD3 1.0 . 3.75 1130 990 A 44 VAL HGy% A 46 PRO HD3 1.0 . 3.75 1131 990 A 46 PRO HD2 A 44 VAL HGy% 1.0 . 3.75 1132 990 A 44 VAL HGx% A 46 PRO HD2 1.0 . 3.75 1133 991 A 45 GLN H A 45 GLN HBx 1.0 . 3.02 1134 991 A 45 GLN H A 45 GLN HBy 1.0 . 3.02 1135 992 A 45 GLN H A 45 GLN HGx 1.0 . 3.98 1136 992 A 45 GLN H A 45 GLN HGy 1.0 . 3.98 1137 993 A 45 GLN H A 46 PRO HD3 1.0 . 3.68 1138 993 A 45 GLN H A 46 PRO HD2 1.0 . 3.68 1139 994 A 45 GLN HA A 45 GLN HGx 1.0 . 3.45 1140 994 A 45 GLN HA A 45 GLN HGy 1.0 . 3.45 1141 995 A 47 GLU H A 46 PRO HBy 1.0 . 3.29 1142 995 A 47 GLU H A 46 PRO HBx 1.0 . 3.29 1143 996 A 47 GLU H A 46 PRO HGx 1.0 . 3.47 1144 996 A 47 GLU H A 46 PRO HGy 1.0 . 3.47 1145 997 A 48 ASP H A 47 GLU HGx 1.0 . 4.60 1146 997 A 48 ASP H A 47 GLU HGy 1.0 . 4.60 1147 998 A 50 LYS H A 50 LYS HBy 1.0 . 3.24 1148 998 A 50 LYS H A 50 LYS HBx 1.0 . 3.24 1149 999 A 51 GLY H A 50 LYS HBy 1.0 . 3.77 1150 999 A 51 GLY H A 50 LYS HBx 1.0 . 3.77 1151 1000 A 52 VAL H A 51 GLY HAy 1.0 . 2.92 1152 1000 A 52 VAL H A 51 GLY HAx 1.0 . 2.92 1153 1001 A 53 PHE H A 51 GLY HAy 1.0 . 3.96 1154 1001 A 53 PHE H A 51 GLY HAx 1.0 . 3.96 1155 1002 A 52 VAL H A 52 VAL HGy% 1.0 . 3.78 1156 1002 A 52 VAL H A 52 VAL HGx% 1.0 . 3.78 1157 1003 A 52 VAL HA A 52 VAL HGy% 1.0 . 2.86 1158 1003 A 52 VAL HA A 52 VAL HGx% 1.0 . 2.86 1159 1004 A 53 PHE H A 52 VAL HGy% 1.0 . 3.32 1160 1004 A 53 PHE H A 52 VAL HGx% 1.0 . 3.32 1161 1005 A 53 PHE HD% A 52 VAL HGy% 1.0 . 4.07 1162 1005 A 53 PHE HD% A 52 VAL HGx% 1.0 . 4.07 1163 1006 A 53 PHE H A 53 PHE HBy 1.0 . 2.84 1164 1006 A 53 PHE H A 53 PHE HBx 1.0 . 2.84 1165 1007 A 54 GLN H A 53 PHE HBy 1.0 . 3.40 1166 1007 A 54 GLN H A 53 PHE HBx 1.0 . 3.40 1167 1008 A 54 GLN H A 54 GLN HGy 1.0 . 3.16 1168 1008 A 54 GLN H A 54 GLN HGx 1.0 . 3.16 1169 1009 A 54 GLN HA A 54 GLN HGy 1.0 . 3.22 1170 1009 A 54 GLN HA A 54 GLN HGx 1.0 . 3.22 1171 1010 A 54 GLN HBy A 54 GLN HGy 1.0 . 2.57 1172 1010 A 54 GLN HBy A 54 GLN HGx 1.0 . 2.57 1173 1011 A 56 VAL H A 55 GLY HAy 1.0 . 3.08 1174 1011 A 56 VAL H A 55 GLY HAx 1.0 . 3.08 1175 1012 A 55 GLY HAx A 58 ASP HBx 1.0 . 3.51 1176 1012 A 55 GLY HAy A 58 ASP HBx 1.0 . 3.51 1177 1012 A 58 ASP HBy A 55 GLY HAy 1.0 . 3.51 1178 1012 A 55 GLY HAx A 58 ASP HBy 1.0 . 3.51 1179 1013 A 56 VAL H A 56 VAL HGy% 1.0 . 2.96 1180 1013 A 56 VAL H A 56 VAL HGx% 1.0 . 2.96 1181 1014 A 56 VAL HA A 56 VAL HGy% 1.0 . 2.58 1182 1014 A 56 VAL HA A 56 VAL HGx% 1.0 . 2.58 1183 1015 A 57 HIS H A 56 VAL HGy% 1.0 . 4.05 1184 1015 A 57 HIS H A 56 VAL HGx% 1.0 . 4.05 1185 1016 A 57 HIS H A 57 HIS HBx 1.0 . 3.64 1186 1016 A 57 HIS H A 57 HIS HBy 1.0 . 3.64 1187 1017 A 61 GLU H A 61 GLU HBy 1.0 . 3.37 1188 1017 A 61 GLU H A 61 GLU HBx 1.0 . 3.37 1189 1018 A 62 LYS H A 61 GLU HBy 1.0 . 3.63 1190 1018 A 62 LYS H A 61 GLU HBx 1.0 . 3.63 1191 1019 A 68 GLU H A 68 GLU HBx 1.0 . 3.66 1192 1019 A 68 GLU H A 68 GLU HBy 1.0 . 3.66 1193 1020 A 70 GLN H A 70 GLN HBx 1.0 . 3.70 1194 1020 A 70 GLN H A 70 GLN HBy 1.0 . 3.70 1195 1021 A 72 GLU H A 72 GLU HBx 1.0 . 3.29 1196 1021 A 72 GLU H A 72 GLU HBy 1.0 . 3.29 1197 1022 A 72 GLU HA A 72 GLU HGy 1.0 . 3.73 1198 1022 A 72 GLU HA A 72 GLU HGx 1.0 . 3.73 1199 1023 A 73 SER H A 72 GLU HBx 1.0 . 4.32 1200 1023 A 73 SER H A 72 GLU HBy 1.0 . 4.32 1201 1024 A 73 SER H A 72 GLU HGy 1.0 . 5.21 1202 1024 A 73 SER H A 72 GLU HGx 1.0 . 5.21 1203 1025 A 73 SER H A 73 SER HBx 1.0 . 3.62 1204 1025 A 73 SER H A 73 SER HBy 1.0 . 3.62 1205 1026 A 74 LEU H A 73 SER HBx 1.0 . 3.66 1206 1026 A 74 LEU H A 73 SER HBy 1.0 . 3.66 1207 1027 A 75 ALA HB% A 73 SER HBx 1.0 . 4.03 1208 1027 A 75 ALA HB% A 73 SER HBy 1.0 . 4.03 1209 1028 A 74 LEU H A 74 LEU HDx% 1.0 . 4.01 1210 1028 A 74 LEU H A 74 LEU HDy% 1.0 . 4.01 1211 1029 A 74 LEU HA A 77 GLN HBy 1.0 . 3.94 1212 1029 A 74 LEU HA A 77 GLN HBx 1.0 . 3.94 1213 1030 A 74 LEU HA A 77 GLN HGy 1.0 . 3.83 1214 1030 A 74 LEU HA A 77 GLN HGx 1.0 . 3.83 1215 1031 A 74 LEU HG A 74 LEU HBy 1.0 . 2.45 1216 1031 A 74 LEU HG A 74 LEU HBx 1.0 . 2.45 1217 1032 A 74 LEU HBy A 74 LEU HDx% 1.0 . 2.56 1218 1032 A 74 LEU HBx A 74 LEU HDx% 1.0 . 2.56 1219 1032 A 74 LEU HDy% A 74 LEU HBy 1.0 . 2.56 1220 1032 A 74 LEU HDy% A 74 LEU HBx 1.0 . 2.56 1221 1033 A 75 ALA H A 74 LEU HBy 1.0 . 3.10 1222 1033 A 75 ALA H A 74 LEU HBx 1.0 . 3.10 1223 1034 A 75 ALA H A 74 LEU HDx% 1.0 . 4.63 1224 1034 A 75 ALA H A 74 LEU HDy% 1.0 . 4.63 1225 1035 A 74 LEU HDy% A 77 GLN HBy 1.0 . 3.69 1226 1035 A 74 LEU HDx% A 77 GLN HBy 1.0 . 3.69 1227 1035 A 77 GLN HBx A 74 LEU HDx% 1.0 . 3.69 1228 1035 A 74 LEU HDy% A 77 GLN HBx 1.0 . 3.69 1229 1036 A 74 LEU HDx% A 77 GLN HBy 1.0 . 6.07 1230 1037 A 74 LEU HDy% A 77 GLN HBx 1.0 . 6.07 1231 1038 A 76 ASP H A 77 GLN HBy 1.0 . 4.21 1232 1038 A 76 ASP H A 77 GLN HBx 1.0 . 4.21 1233 1039 A 76 ASP HA A 79 ARG HBy 1.0 . 3.37 1234 1039 A 76 ASP HA A 79 ARG HBx 1.0 . 3.37 1235 1040 A 76 ASP HA A 79 ARG HGy 1.0 . 4.23 1236 1040 A 76 ASP HA A 79 ARG HGx 1.0 . 4.23 1237 1041 A 77 GLN H A 76 ASP HBx 1.0 . 3.10 1238 1041 A 77 GLN H A 76 ASP HBy 1.0 . 3.10 1239 1042 A 77 GLN H A 77 GLN HBy 1.0 . 3.26 1240 1042 A 77 GLN H A 77 GLN HBx 1.0 . 3.26 1241 1043 A 77 GLN H A 77 GLN HGy 1.0 . 4.00 1242 1043 A 77 GLN H A 77 GLN HGx 1.0 . 4.00 1243 1044 A 78 ALA H A 77 GLN HBy 1.0 . 3.64 1244 1044 A 78 ALA H A 77 GLN HBx 1.0 . 3.64 1245 1045 A 78 ALA H A 77 GLN HGy 1.0 . 4.70 1246 1045 A 78 ALA H A 77 GLN HGx 1.0 . 4.70 1247 1046 A 78 ALA HA A 81 TYR HBy 1.0 . 3.30 1248 1046 A 78 ALA HA A 81 TYR HBx 1.0 . 3.30 1249 1047 A 79 ARG H A 79 ARG HBy 1.0 . 2.92 1250 1047 A 79 ARG H A 79 ARG HBx 1.0 . 2.92 1251 1048 A 79 ARG H A 79 ARG HGy 1.0 . 3.86 1252 1048 A 79 ARG H A 79 ARG HGx 1.0 . 3.86 1253 1049 A 79 ARG HA A 79 ARG HGy 1.0 . 3.47 1254 1049 A 79 ARG HA A 79 ARG HGx 1.0 . 3.47 1255 1050 A 79 ARG HA A 79 ARG HDx 1.0 . 4.23 1256 1050 A 79 ARG HA A 79 ARG HDy 1.0 . 4.23 1257 1051 A 79 ARG HA A 82 MET HGy 1.0 . 4.06 1258 1051 A 79 ARG HA A 82 MET HGx 1.0 . 4.06 1259 1052 A 79 ARG HBy A 79 ARG HDx 1.0 . 3.06 1260 1052 A 79 ARG HBx A 79 ARG HDx 1.0 . 3.06 1261 1052 A 79 ARG HDy A 79 ARG HBy 1.0 . 3.06 1262 1052 A 79 ARG HBx A 79 ARG HDy 1.0 . 3.06 1263 1053 A 80 ASP H A 79 ARG HBy 1.0 . 3.34 1264 1053 A 80 ASP H A 79 ARG HBx 1.0 . 3.34 1265 1054 A 80 ASP H A 80 ASP HBx 1.0 . 2.80 1266 1054 A 80 ASP H A 80 ASP HBy 1.0 . 2.80 1267 1055 A 81 TYR H A 80 ASP HBx 1.0 . 3.12 1268 1055 A 81 TYR H A 80 ASP HBy 1.0 . 3.12 1269 1056 A 81 TYR H A 81 TYR HBy 1.0 . 2.77 1270 1056 A 81 TYR H A 81 TYR HBx 1.0 . 2.77 1271 1057 A 82 MET H A 81 TYR HBy 1.0 . 3.34 1272 1057 A 82 MET H A 81 TYR HBx 1.0 . 3.34 1273 1058 A 82 MET H A 82 MET HGy 1.0 . 3.27 1274 1058 A 82 MET H A 82 MET HGx 1.0 . 3.27 1275 1059 A 82 MET HA A 82 MET HGy 1.0 . 3.25 1276 1059 A 82 MET HA A 82 MET HGx 1.0 . 3.25 1277 1060 A 83 GLY H A 82 MET HGy 1.0 . 4.22 1278 1060 A 83 GLY H A 82 MET HGx 1.0 . 4.22 1279 1061 A 86 LYS H A 83 GLY HAy 1.0 . 3.86 1280 1061 A 86 LYS H A 83 GLY HAx 1.0 . 3.86 1281 1062 A 83 GLY HAy A 86 LYS HBy 1.0 . 3.83 1282 1062 A 83 GLY HAx A 86 LYS HBy 1.0 . 3.83 1283 1062 A 86 LYS HBx A 83 GLY HAy 1.0 . 3.83 1284 1062 A 83 GLY HAx A 86 LYS HBx 1.0 . 3.83 1285 1063 A 87 SER H A 83 GLY HAy 1.0 . 4.27 1286 1063 A 87 SER H A 83 GLY HAx 1.0 . 4.27 1287 1064 A 85 ALA HA A 88 LYS HBy 1.0 . 3.37 1288 1064 A 85 ALA HA A 88 LYS HBx 1.0 . 3.37 1289 1065 A 85 ALA HA A 88 LYS HGx 1.0 . 3.61 1290 1065 A 85 ALA HA A 88 LYS HGy 1.0 . 3.61 1291 1066 A 86 LYS H A 86 LYS HBy 1.0 . 3.00 1292 1066 A 86 LYS H A 86 LYS HBx 1.0 . 3.00 1293 1067 A 86 LYS H A 86 LYS HDx 1.0 . 3.94 1294 1067 A 86 LYS H A 86 LYS HDy 1.0 . 3.94 1295 1068 A 86 LYS HA A 86 LYS HGx 1.0 . 3.37 1296 1068 A 86 LYS HA A 86 LYS HGy 1.0 . 3.37 1297 1069 A 86 LYS HA A 86 LYS HDx 1.0 . 3.84 1298 1069 A 86 LYS HA A 86 LYS HDy 1.0 . 3.84 1299 1070 A 86 LYS HA A 89 LEU HBx 1.0 . 3.23 1300 1070 A 86 LYS HA A 89 LEU HBy 1.0 . 3.23 1301 1071 A 86 LYS HA A 89 LEU HDx% 1.0 . 3.52 1302 1071 A 86 LYS HA A 89 LEU HDy% 1.0 . 3.52 1303 1072 A 86 LYS HBy A 86 LYS HDx 1.0 . 2.77 1304 1072 A 86 LYS HBx A 86 LYS HDx 1.0 . 2.77 1305 1072 A 86 LYS HDy A 86 LYS HBy 1.0 . 2.77 1306 1072 A 86 LYS HBx A 86 LYS HDy 1.0 . 2.77 1307 1073 A 87 SER H A 86 LYS HBy 1.0 . 3.17 1308 1073 A 87 SER H A 86 LYS HBx 1.0 . 3.17 1309 1074 A 86 LYS HEy A 86 LYS HGx 1.0 . 3.24 1310 1074 A 86 LYS HEx A 86 LYS HGx 1.0 . 3.24 1311 1074 A 86 LYS HGy A 86 LYS HEx 1.0 . 3.24 1312 1074 A 86 LYS HGy A 86 LYS HEy 1.0 . 3.24 1313 1075 A 87 SER H A 86 LYS HGx 1.0 . 4.15 1314 1075 A 87 SER H A 86 LYS HGy 1.0 . 4.15 1315 1076 A 87 SER H A 86 LYS HDx 1.0 . 4.64 1316 1076 A 87 SER H A 86 LYS HDy 1.0 . 4.64 1317 1077 A 87 SER H A 87 SER HBy 1.0 . 3.25 1318 1077 A 87 SER H A 87 SER HBx 1.0 . 3.25 1319 1078 A 87 SER HA A 90 ASN HBx 1.0 . 3.24 1320 1078 A 87 SER HA A 90 ASN HBy 1.0 . 3.24 1321 1079 A 88 LYS H A 87 SER HBy 1.0 . 3.43 1322 1079 A 88 LYS H A 87 SER HBx 1.0 . 3.43 1323 1080 A 88 LYS H A 88 LYS HGx 1.0 . 3.23 1324 1080 A 88 LYS H A 88 LYS HGy 1.0 . 3.23 1325 1081 A 88 LYS H A 88 LYS HDy 1.0 . 3.74 1326 1081 A 88 LYS H A 88 LYS HDx 1.0 . 3.74 1327 1082 A 88 LYS HA A 88 LYS HDy 1.0 . 3.72 1328 1082 A 88 LYS HA A 88 LYS HDx 1.0 . 3.72 1329 1083 A 88 LYS HA A 91 ASP HBy 1.0 . 3.66 1330 1083 A 88 LYS HA A 91 ASP HBx 1.0 . 3.66 1331 1084 A 88 LYS HBx A 88 LYS HDy 1.0 . 3.12 1332 1084 A 88 LYS HBy A 88 LYS HDy 1.0 . 3.12 1333 1084 A 88 LYS HDx A 88 LYS HBy 1.0 . 3.12 1334 1084 A 88 LYS HBx A 88 LYS HDx 1.0 . 3.12 1335 1085 A 89 LEU H A 88 LYS HGx 1.0 . 4.05 1336 1085 A 89 LEU H A 88 LYS HGy 1.0 . 4.05 1337 1086 A 89 LEU H A 88 LYS HDy 1.0 . 5.26 1338 1086 A 89 LEU H A 88 LYS HDx 1.0 . 5.26 1339 1087 A 89 LEU H A 89 LEU HBx 1.0 . 2.98 1340 1087 A 89 LEU H A 89 LEU HBy 1.0 . 2.98 1341 1088 A 89 LEU H A 89 LEU HDx% 1.0 . 3.43 1342 1088 A 89 LEU H A 89 LEU HDy% 1.0 . 3.43 1343 1089 A 89 LEU HA A 89 LEU HDx% 1.0 . 2.84 1344 1089 A 89 LEU HA A 89 LEU HDy% 1.0 . 2.84 1345 1090 A 89 LEU HBx A 89 LEU HDx% 1.0 . 2.62 1346 1090 A 89 LEU HBy A 89 LEU HDx% 1.0 . 2.62 1347 1090 A 89 LEU HDy% A 89 LEU HBx 1.0 . 2.62 1348 1090 A 89 LEU HBy A 89 LEU HDy% 1.0 . 2.62 1349 1091 A 89 LEU HG A 93 VAL HGy% 1.0 . 3.40 1350 1091 A 89 LEU HG A 93 VAL HGx% 1.0 . 3.40 1351 1092 A 90 ASN H A 89 LEU HDx% 1.0 . 3.99 1352 1092 A 90 ASN H A 89 LEU HDy% 1.0 . 3.99 1353 1093 A 90 ASN H A 90 ASN HBx 1.0 . 2.70 1354 1093 A 90 ASN H A 90 ASN HBy 1.0 . 2.70 1355 1094 A 90 ASN HA A 93 VAL HGy% 1.0 . 3.14 1356 1094 A 90 ASN HA A 93 VAL HGx% 1.0 . 3.14 1357 1095 A 91 ASP H A 90 ASN HBx 1.0 . 3.17 1358 1095 A 91 ASP H A 90 ASN HBy 1.0 . 3.17 1359 1096 A 91 ASP H A 91 ASP HBy 1.0 . 2.69 1360 1096 A 91 ASP H A 91 ASP HBx 1.0 . 2.69 1361 1097 A 92 ALA HA A 95 TYR HBy 1.0 . 3.08 1362 1097 A 92 ALA HA A 95 TYR HBx 1.0 . 3.08 1363 1098 A 92 ALA HB% A 93 VAL HGy% 1.0 . 3.53 1364 1098 A 92 ALA HB% A 93 VAL HGx% 1.0 . 3.53 1365 1099 A 93 VAL H A 93 VAL HGy% 1.0 . 3.22 1366 1099 A 93 VAL H A 93 VAL HGx% 1.0 . 3.22 1367 1100 A 93 VAL HA A 93 VAL HGy% 1.0 . 2.56 1368 1100 A 93 VAL HA A 93 VAL HGx% 1.0 . 2.56 1369 1101 A 94 GLU H A 93 VAL HGy% 1.0 . 3.01 1370 1101 A 94 GLU H A 93 VAL HGx% 1.0 . 3.01 1371 1102 A 94 GLU HA A 93 VAL HGy% 1.0 . 3.80 1372 1102 A 94 GLU HA A 93 VAL HGx% 1.0 . 3.80 1373 1103 A 96 VAL HB A 93 VAL HGy% 1.0 . 3.85 1374 1103 A 96 VAL HB A 93 VAL HGx% 1.0 . 3.85 1375 1104 A 94 GLU H A 94 GLU HGx 1.0 . 3.25 1376 1104 A 94 GLU H A 94 GLU HGy 1.0 . 3.25 1377 1105 A 94 GLU HA A 94 GLU HGx 1.0 . 3.39 1378 1105 A 94 GLU HA A 94 GLU HGy 1.0 . 3.39 1379 1106 A 94 GLU HA A 97 SER HBy 1.0 . 3.19 1380 1106 A 94 GLU HA A 97 SER HBx 1.0 . 3.19 1381 1107 A 95 TYR H A 94 GLU HGx 1.0 . 5.16 1382 1107 A 95 TYR H A 94 GLU HGy 1.0 . 5.16 1383 1108 A 96 VAL H A 95 TYR HBy 1.0 . 3.27 1384 1108 A 96 VAL H A 95 TYR HBx 1.0 . 3.27 1385 1109 A 96 VAL HA A 99 ARG HGy 1.0 . 5.34 1386 1109 A 96 VAL HA A 99 ARG HGx 1.0 . 5.34 1387 1110 A 97 SER H A 97 SER HBy 1.0 . 2.82 1388 1110 A 97 SER H A 97 SER HBx 1.0 . 2.82 1389 1111 A 97 SER HA A 100 VAL HGy% 1.0 . 3.29 1390 1111 A 97 SER HA A 100 VAL HGx% 1.0 . 3.29 1391 1112 A 98 GLY H A 99 ARG HGy 1.0 . 5.29 1392 1112 A 98 GLY H A 99 ARG HGx 1.0 . 5.29 1393 1113 A 99 ARG H A 98 GLY HAy 1.0 . 3.00 1394 1113 A 99 ARG H A 98 GLY HAx 1.0 . 3.00 1395 1114 A 101 HIS H A 98 GLY HAy 1.0 . 4.67 1396 1114 A 101 HIS H A 98 GLY HAx 1.0 . 4.67 1397 1115 A 99 ARG H A 99 ARG HGy 1.0 . 3.26 1398 1115 A 99 ARG H A 99 ARG HGx 1.0 . 3.26 1399 1116 A 99 ARG H A 100 VAL HGy% 1.0 . 4.05 1400 1116 A 99 ARG H A 100 VAL HGx% 1.0 . 4.05 1401 1117 A 99 ARG HA A 99 ARG HGy 1.0 . 3.53 1402 1117 A 99 ARG HA A 99 ARG HGx 1.0 . 3.53 1403 1118 A 99 ARG HA A 99 ARG HDy 1.0 . 3.54 1404 1118 A 99 ARG HA A 99 ARG HDx 1.0 . 3.54 1405 1119 A 99 ARG HBx A 99 ARG HDy 1.0 . 3.26 1406 1119 A 99 ARG HBx A 99 ARG HDx 1.0 . 3.26 1407 1120 A 99 ARG HBy A 99 ARG HDy 1.0 . 3.66 1408 1120 A 99 ARG HBy A 99 ARG HDx 1.0 . 3.66 1409 1121 A 99 ARG HDy A 99 ARG HGy 1.0 . 2.37 1410 1121 A 99 ARG HDx A 99 ARG HGy 1.0 . 2.37 1411 1121 A 99 ARG HGx A 99 ARG HDy 1.0 . 2.37 1412 1121 A 99 ARG HGx A 99 ARG HDx 1.0 . 2.37 1413 1122 A 100 VAL H A 99 ARG HGy 1.0 . 4.32 1414 1122 A 100 VAL H A 99 ARG HGx 1.0 . 4.32 1415 1123 A 100 VAL H A 100 VAL HGy% 1.0 . 3.28 1416 1123 A 100 VAL H A 100 VAL HGx% 1.0 . 3.28 1417 1124 A 100 VAL HA A 100 VAL HGy% 1.0 . 2.83 1418 1124 A 100 VAL HA A 100 VAL HGx% 1.0 . 2.83 1419 1125 A 101 HIS HA A 100 VAL HGy% 1.0 . 4.46 1420 1125 A 100 VAL HGx% A 101 HIS HA 1.0 . 4.46 1421 1126 A 101 HIS H A 101 HIS HBx 1.0 . 3.14 1422 1126 A 101 HIS H A 101 HIS HBy 1.0 . 3.14 1423 1127 A 103 GLU H A 103 GLU HBx 1.0 . 3.47 1424 1127 A 103 GLU H A 103 GLU HBy 1.0 . 3.47 1425 1128 A 105 ASP HA A 106 PRO HDy 1.0 . 2.89 1426 1128 A 105 ASP HA A 106 PRO HDx 1.0 . 2.89 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 8 GLY C A 9 PHE N A 9 PHE CA A 9 PHE C 1.0 -91.1 -46.7 PHI 2 2 A 9 PHE N A 9 PHE CA A 9 PHE C A 10 GLY N 1.0 -83.7 12.2 PSI 3 3 A 9 PHE C A 10 GLY N A 10 GLY CA A 10 GLY C 1.0 -79.1 -47.1 PHI 4 4 A 10 GLY N A 10 GLY CA A 10 GLY C A 11 GLU N 1.0 -55.1 -28.5 PSI 5 5 A 10 GLY C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -75.0 -53.0 PHI 6 6 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 LYS N 1.0 -70.8 -8.9 PSI 7 7 A 11 GLU C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -80.5 -52.9 PHI 8 8 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 ALA N 1.0 -55.9 -12.7 PSI 9 9 A 12 LYS C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -74.4 -54.4 PHI 10 10 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 SER N 1.0 -52.4 -18.6 PSI 11 11 A 13 ALA C A 14 SER N A 14 SER CA A 14 SER C 1.0 -73.1 -53.1 PHI 12 12 A 14 SER N A 14 SER CA A 14 SER C A 15 GLU N 1.0 -51.0 -28.7 PSI 13 13 A 14 SER C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -79.7 -52.7 PHI 14 14 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 ALA N 1.0 -50.4 -23.8 PSI 15 15 A 15 GLU C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -113.6 -39.4 PHI 16 16 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 LEU N 1.0 -59.1 -7.8 PSI 17 17 A 16 ALA C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -120.3 -54.4 PHI 18 18 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 LYS N 1.0 -46.4 23.9 PSI 19 19 A 24 SER C A 25 TYR N A 25 TYR CA A 25 TYR C 1.0 -68.5 -46.2 PHI 20 20 A 25 TYR N A 25 TYR CA A 25 TYR C A 26 ALA N 1.0 -52.1 -26.6 PSI 21 21 A 25 TYR C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -76.8 -51.7 PHI 22 22 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 GLU N 1.0 -46.5 -26.5 PSI 23 23 A 26 ALA C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -77.3 -51.6 PHI 24 24 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 GLN N 1.0 -54.6 -34.6 PSI 25 25 A 27 GLU C A 28 GLN N A 28 GLN CA A 28 GLN C 1.0 -74.7 -54.7 PHI 26 26 A 28 GLN N A 28 GLN CA A 28 GLN C A 29 GLY N 1.0 -55.3 -18.6 PSI 27 27 A 28 GLN C A 29 GLY N A 29 GLY CA A 29 GLY C 1.0 -78.8 -53.8 PHI 28 28 A 29 GLY N A 29 GLY CA A 29 GLY C A 30 LYS N 1.0 -51.7 -29.9 PSI 29 29 A 29 GLY C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -75.5 -51.5 PHI 30 30 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 GLU N 1.0 -57.1 -20.3 PSI 31 31 A 30 LYS C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -80.7 -58.7 PHI 32 32 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 TYR N 1.0 -51.3 -27.1 PSI 33 33 A 31 GLU C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -72.0 -52.0 PHI 34 34 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 ILE N 1.0 -62.7 -11.5 PSI 35 35 A 32 TYR C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -81.9 -53.5 PHI 36 36 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 THR N 1.0 -58.9 -20.7 PSI 37 37 A 33 ILE C A 34 THR N A 34 THR CA A 34 THR C 1.0 -77.0 -50.4 PHI 38 38 A 34 THR N A 34 THR CA A 34 THR C A 35 ASP N 1.0 -52.5 -32.5 PSI 39 39 A 34 THR C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -77.7 -51.1 PHI 40 40 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 LYS N 1.0 -58.2 -15.1 PSI 41 41 A 35 ASP C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -85.1 -54.1 PHI 42 42 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 ALA N 1.0 -55.3 -10.3 PSI 43 43 A 36 LYS C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -76.9 -52.2 PHI 44 44 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 ASP N 1.0 -57.1 -17.0 PSI 45 45 A 37 ALA C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -80.4 -46.6 PHI 46 46 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 LYS N 1.0 -55.4 -29.1 PSI 47 47 A 38 ASP C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -91.6 -51.5 PHI 48 48 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 VAL N 1.0 -84.9 30.9 PSI 49 49 A 39 LYS C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -117.8 -37.9 PHI 50 50 A 40 VAL N A 40 VAL CA A 40 VAL C A 41 ALA N 1.0 -59.1 -5.4 PSI 51 51 A 40 VAL C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -108.8 -32.7 PHI 52 52 A 41 ALA N A 41 ALA CA A 41 ALA C A 42 GLY N 1.0 -64.0 1.9 PSI 53 53 A 42 GLY C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -116.8 -60.7 PHI 54 54 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 VAL N 1.0 -63.3 16.7 PSI 55 55 A 51 GLY C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -87.6 -41.9 PHI 56 56 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 PHE N 1.0 -49.6 -11.5 PSI 57 57 A 52 VAL C A 53 PHE N A 53 PHE CA A 53 PHE C 1.0 -119.7 -48.2 PHI 58 58 A 53 PHE N A 53 PHE CA A 53 PHE C A 54 GLN N 1.0 -52.7 21.0 PSI 59 59 A 53 PHE C A 54 GLN N A 54 GLN CA A 54 GLN C 1.0 -107.3 -32.6 PHI 60 60 A 54 GLN N A 54 GLN CA A 54 GLN C A 55 GLY N 1.0 -73.3 9.9 PSI 61 61 A 55 GLY C A 56 VAL N A 56 VAL CA A 56 VAL C 1.0 -89.3 -46.5 PHI 62 62 A 56 VAL N A 56 VAL CA A 56 VAL C A 57 HIS N 1.0 -55.7 -23.8 PSI 63 63 A 56 VAL C A 57 HIS N A 57 HIS CA A 57 HIS C 1.0 -91.5 -47.6 PHI 64 64 A 57 HIS N A 57 HIS CA A 57 HIS C A 58 ASP N 1.0 -76.1 23.3 PSI 65 65 A 57 HIS C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -90.2 -45.9 PHI 66 66 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 SER N 1.0 -63.3 -15.0 PSI 67 67 A 58 ASP C A 59 SER N A 59 SER CA A 59 SER C 1.0 -85.5 -47.7 PHI 68 68 A 59 SER N A 59 SER CA A 59 SER C A 60 ALA N 1.0 -58.3 -16.3 PSI 69 69 A 59 SER C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -92.5 -44.4 PHI 70 70 A 60 ALA N A 60 ALA CA A 60 ALA C A 61 GLU N 1.0 -81.1 13.2 PSI 71 71 A 60 ALA C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -132.9 -27.0 PHI 72 72 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 LYS N 1.0 -70.6 24.3 PSI 73 73 A 73 SER C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -72.0 -52.0 PHI 74 74 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 ALA N 1.0 -47.4 -26.7 PSI 75 75 A 74 LEU C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -72.1 -52.1 PHI 76 76 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 ASP N 1.0 -50.1 -30.1 PSI 77 77 A 75 ALA C A 76 ASP N A 76 ASP CA A 76 ASP C 1.0 -78.1 -53.1 PHI 78 78 A 76 ASP N A 76 ASP CA A 76 ASP C A 77 GLN N 1.0 -51.1 -31.1 PSI 79 79 A 76 ASP C A 77 GLN N A 77 GLN CA A 77 GLN C 1.0 -75.7 -51.3 PHI 80 80 A 77 GLN N A 77 GLN CA A 77 GLN C A 78 ALA N 1.0 -56.9 -26.4 PSI 81 81 A 77 GLN C A 78 ALA N A 78 ALA CA A 78 ALA C 1.0 -72.5 -51.9 PHI 82 82 A 78 ALA N A 78 ALA CA A 78 ALA C A 79 ARG N 1.0 -49.0 -29.0 PSI 83 83 A 78 ALA C A 79 ARG N A 79 ARG CA A 79 ARG C 1.0 -74.5 -48.5 PHI 84 84 A 79 ARG N A 79 ARG CA A 79 ARG C A 80 ASP N 1.0 -59.4 -27.2 PSI 85 85 A 79 ARG C A 80 ASP N A 80 ASP CA A 80 ASP C 1.0 -76.2 -56.2 PHI 86 86 A 80 ASP N A 80 ASP CA A 80 ASP C A 81 TYR N 1.0 -51.2 -30.9 PSI 87 87 A 80 ASP C A 81 TYR N A 81 TYR CA A 81 TYR C 1.0 -78.6 -53.9 PHI 88 88 A 81 TYR N A 81 TYR CA A 81 TYR C A 82 MET N 1.0 -50.4 -30.4 PSI 89 89 A 81 TYR C A 82 MET N A 82 MET CA A 82 MET C 1.0 -78.4 -52.8 PHI 90 90 A 82 MET N A 82 MET CA A 82 MET C A 83 GLY N 1.0 -55.4 -15.5 PSI 91 91 A 82 MET C A 83 GLY N A 83 GLY CA A 83 GLY C 1.0 -75.8 -55.8 PHI 92 92 A 83 GLY N A 83 GLY CA A 83 GLY C A 84 ALA N 1.0 -50.5 -30.5 PSI 93 93 A 83 GLY C A 84 ALA N A 84 ALA CA A 84 ALA C 1.0 -80.5 -51.3 PHI 94 94 A 84 ALA N A 84 ALA CA A 84 ALA C A 85 ALA N 1.0 -58.9 -17.1 PSI 95 95 A 84 ALA C A 85 ALA N A 85 ALA CA A 85 ALA C 1.0 -75.9 -51.0 PHI 96 96 A 85 ALA N A 85 ALA CA A 85 ALA C A 86 LYS N 1.0 -52.0 -32.0 PSI 97 97 A 85 ALA C A 86 LYS N A 86 LYS CA A 86 LYS C 1.0 -74.9 -49.7 PHI 98 98 A 86 LYS N A 86 LYS CA A 86 LYS C A 87 SER N 1.0 -54.8 -27.9 PSI 99 99 A 86 LYS C A 87 SER N A 87 SER CA A 87 SER C 1.0 -70.2 -50.2 PHI 100 100 A 87 SER N A 87 SER CA A 87 SER C A 88 LYS N 1.0 -56.0 -33.1 PSI 101 101 A 87 SER C A 88 LYS N A 88 LYS CA A 88 LYS C 1.0 -81.2 -51.4 PHI 102 102 A 88 LYS N A 88 LYS CA A 88 LYS C A 89 LEU N 1.0 -55.1 -28.5 PSI 103 103 A 88 LYS C A 89 LEU N A 89 LEU CA A 89 LEU C 1.0 -73.7 -49.3 PHI 104 104 A 89 LEU N A 89 LEU CA A 89 LEU C A 90 ASN N 1.0 -54.0 -28.0 PSI 105 105 A 89 LEU C A 90 ASN N A 90 ASN CA A 90 ASN C 1.0 -74.4 -54.4 PHI 106 106 A 90 ASN N A 90 ASN CA A 90 ASN C A 91 ASP N 1.0 -54.6 -27.9 PSI 107 107 A 90 ASN C A 91 ASP N A 91 ASP CA A 91 ASP C 1.0 -75.6 -55.6 PHI 108 108 A 91 ASP N A 91 ASP CA A 91 ASP C A 92 ALA N 1.0 -53.7 -28.3 PSI 109 109 A 91 ASP C A 92 ALA N A 92 ALA CA A 92 ALA C 1.0 -83.1 -54.6 PHI 110 110 A 92 ALA N A 92 ALA CA A 92 ALA C A 93 VAL N 1.0 -53.0 -31.1 PSI 111 111 A 92 ALA C A 93 VAL N A 93 VAL CA A 93 VAL C 1.0 -75.2 -52.6 PHI 112 112 A 93 VAL N A 93 VAL CA A 93 VAL C A 94 GLU N 1.0 -62.8 -23.7 PSI 113 113 A 93 VAL C A 94 GLU N A 94 GLU CA A 94 GLU C 1.0 -76.4 -50.3 PHI 114 114 A 94 GLU N A 94 GLU CA A 94 GLU C A 95 TYR N 1.0 -62.1 -17.4 PSI 115 115 A 94 GLU C A 95 TYR N A 95 TYR CA A 95 TYR C 1.0 -76.0 -52.3 PHI 116 116 A 95 TYR N A 95 TYR CA A 95 TYR C A 96 VAL N 1.0 -62.7 -29.0 PSI 117 117 A 95 TYR C A 96 VAL N A 96 VAL CA A 96 VAL C 1.0 -75.8 -55.5 PHI 118 118 A 96 VAL N A 96 VAL CA A 96 VAL C A 97 SER N 1.0 -50.4 -30.4 PSI 119 119 A 96 VAL C A 97 SER N A 97 SER CA A 97 SER C 1.0 -72.4 -46.5 PHI 120 120 A 97 SER N A 97 SER CA A 97 SER C A 98 GLY N 1.0 -57.0 -26.9 PSI 121 121 A 97 SER C A 98 GLY N A 98 GLY CA A 98 GLY C 1.0 -90.2 -46.0 PHI 122 122 A 98 GLY N A 98 GLY CA A 98 GLY C A 99 ARG N 1.0 -58.7 -5.6 PSI 123 123 A 98 GLY C A 99 ARG N A 99 ARG CA A 99 ARG C 1.0 -89.3 -51.2 PHI 124 124 A 99 ARG N A 99 ARG CA A 99 ARG C A 100 VAL N 1.0 -65.8 -0.9 PSI stop_ save_