data_nef_c17806_2lge 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 17799 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 ASP middle . . 3 A 3 ASP middle . . 4 A 4 ASP middle . . 5 A 5 GLU middle . . 6 A 6 PRO middle . false 7 A 7 GLY middle . false 8 A 8 GLY middle . false 9 A 9 LYS middle . . 10 A 10 GLY middle . false 11 A 11 ALA middle . . 12 A 12 MET middle . . 13 A 13 TYR middle . . 14 A 14 GLU middle . . 15 A 15 VAL middle . . 16 A 16 THR middle . . 17 A 17 ILE middle . . 18 A 18 GLU middle . . 19 A 19 GLN middle . . 20 A 20 SER middle . . 21 A 21 GLY middle . false 22 A 22 ASP middle . . 23 A 23 PHE middle . . 24 A 24 ARG middle . . 25 A 25 SER middle . . 26 A 26 PHE middle . . 27 A 27 ILE middle . . 28 A 28 LYS middle . . 29 A 29 SER middle . . 30 A 30 VAL middle . . 31 A 31 VAL middle . . 32 A 32 VAL middle . . 33 A 33 VAL middle . . 34 A 34 ALA middle . . 35 A 35 ASN middle . . 36 A 36 GLY middle . false 37 A 37 THR middle . . 38 A 38 GLN middle . . 39 A 39 LEU middle . . 40 A 40 LYS middle . . 41 A 41 ASP middle . . 42 A 42 GLY middle . false 43 A 43 ALA middle . . 44 A 44 THR middle . . 45 A 45 GLY middle . false 46 A 46 GLU middle . . 47 A 47 SER middle . . 48 A 48 LEU middle . . 49 A 49 ALA middle . . 50 A 50 SER middle . . 51 A 51 PRO middle . true 52 A 52 VAL middle . . 53 A 53 ILE middle . . 54 A 54 LEU middle . . 55 A 55 SER middle . . 56 A 56 ASP middle . . 57 A 57 GLU middle . . 58 A 58 GLU middle . . 59 A 59 LEU middle . . 60 A 60 ALA middle . . 61 A 61 VAL middle . . 62 A 62 GLU middle . . 63 A 63 LYS middle . . 64 A 64 VAL middle . . 65 A 65 THR middle . . 66 A 66 LEU middle . . 67 A 67 SER middle . . 68 A 68 THR middle . . 69 A 69 THR middle . . 70 A 70 GLY middle . false 71 A 71 LYS middle . . 72 A 72 ALA middle . . 73 A 73 ILE middle . . 74 A 74 GLU middle . . 75 A 75 PHE middle . . 76 A 76 ALA middle . . 77 A 77 VAL middle . . 78 A 78 SER middle . . 79 A 79 GLY middle . false 80 A 80 GLY middle . false 81 A 81 VAL middle . . 82 A 82 VAL middle . . 83 A 83 ASP middle . . 84 A 84 GLY middle . false 85 A 85 GLU middle . . 86 A 86 ASP middle . . 87 A 87 GLY middle . false 88 A 88 VAL middle . . 89 A 89 VAL middle . . 90 A 90 ASN middle . . 91 A 91 GLU middle . . 92 A 92 PRO middle . false 93 A 93 MET middle . . 94 A 94 GLN middle . . 95 A 95 TRP middle . . 96 A 96 VAL middle . . 97 A 97 VAL middle . . 98 A 98 THR middle . . 99 A 99 VAL middle . . 100 A 100 TYR middle . . 101 A 101 LYS middle . . 102 A 102 ASN middle . . 103 A 103 GLY middle . false 104 A 104 LYS middle . . 105 A 105 GLU middle . . 106 A 106 ILE middle . . 107 A 107 GLU middle . . 108 A 108 LYS middle . . 109 A 109 LYS middle . . 110 A 110 SER middle . . 111 A 111 LEU middle . . 112 A 112 VAL middle . . 113 A 113 PHE middle . . 114 A 114 ARG middle . . 115 A 115 ASP middle . . 116 A 116 GLY middle . false 117 A 117 LYS middle . . 118 A 118 GLU middle . . 119 A 119 ILE middle . . 120 A 120 SER middle . . 121 A 121 THR middle . . 122 A 122 ASP middle . . 123 A 123 ASP middle . . 124 A 124 LEU middle . . 125 A 125 ASN middle . . 126 A 126 LEU middle . . 127 A 127 TYR middle . . 128 A 128 TYR middle . . 129 A 129 ASN 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 1 LYS HBx H 1 3.819 0.025 A 1 LYS HBy H 1 3.819 0.025 A 1 LYS C C 13 167.867 0.16 A 1 LYS CA C 13 40.726 0.16 A 2 ASP H H 1 8.626 0.025 A 2 ASP HA H 1 4.516 0.025 A 2 ASP C C 13 173.464 0.16 A 2 ASP CA C 13 52.531 0.16 A 2 ASP CB C 13 38.330 0.16 A 2 ASP N N 15 120.661 0.12 A 3 ASP H H 1 8.424 0.025 A 3 ASP HA H 1 4.509 0.025 A 3 ASP HBx H 1 2.529 0.025 A 3 ASP HBy H 1 2.615 0.025 A 3 ASP C C 13 173.159 0.16 A 3 ASP CA C 13 51.682 0.16 A 3 ASP CB C 13 38.112 0.16 A 3 ASP N N 15 119.152 0.12 A 4 ASP H H 1 7.998 0.025 A 4 ASP HA H 1 4.474 0.025 A 4 ASP HBx H 1 2.546 0.025 A 4 ASP HBy H 1 2.585 0.025 A 4 ASP CA C 13 54.422 0.16 A 4 ASP CB C 13 38.298 0.16 A 4 ASP N N 15 119.647 0.12 A 5 GLU H H 1 8.101 0.025 A 5 GLU HA H 1 4.944 0.025 A 5 GLU HBx H 1 1.900 0.025 A 5 GLU HBy H 1 1.900 0.025 A 5 GLU CA C 13 50.777 0.16 A 5 GLU CB C 13 29.592 0.16 A 5 GLU N N 15 121.980 0.12 A 6 PRO HA H 1 4.334 0.025 A 6 PRO HBy H 1 2.219 0.025 A 6 PRO HBx H 1 1.860 0.025 A 6 PRO HDx H 1 3.722 0.025 A 6 PRO HGx H 1 1.969 0.025 A 6 PRO HGy H 1 1.969 0.025 A 6 PRO C C 13 174.368 0.16 A 6 PRO CA C 13 60.790 0.16 A 6 PRO CB C 13 29.086 0.16 A 6 PRO CD C 13 47.775 0.16 A 6 PRO CG C 13 24.782 0.16 A 7 GLY H H 1 8.529 0.025 A 7 GLY HAx H 1 3.896 0.025 A 7 GLY HAy H 1 3.896 0.025 A 7 GLY C C 13 172.005 0.16 A 7 GLY CA C 13 42.661 0.16 A 7 GLY N N 15 109.549 0.12 A 8 GLY H H 1 8.144 0.025 A 8 GLY HAx H 1 3.912 0.025 A 8 GLY C C 13 171.426 0.16 A 8 GLY CA C 13 42.668 0.16 A 8 GLY N N 15 108.461 0.12 A 9 LYS H H 1 8.089 0.025 A 9 LYS HA H 1 4.309 0.025 A 9 LYS HBy H 1 1.765 0.025 A 9 LYS HBx H 1 1.628 0.025 A 9 LYS C C 13 173.573 0.16 A 9 LYS CA C 13 53.171 0.16 A 9 LYS CB C 13 31.041 0.16 A 9 LYS N N 15 119.936 0.12 A 10 GLY H H 1 8.330 0.025 A 10 GLY HAx H 1 3.986 0.025 A 10 GLY C C 13 170.173 0.16 A 10 GLY CA C 13 41.976 0.16 A 10 GLY N N 15 107.507 0.12 A 11 ALA H H 1 8.177 0.025 A 11 ALA HA H 1 4.510 0.025 A 11 ALA HB% H 1 0.899 0.025 A 11 ALA C C 13 172.113 0.16 A 11 ALA CA C 13 47.991 0.16 A 11 ALA CB C 13 20.280 0.16 A 11 ALA N N 15 121.186 0.12 A 12 MET H H 1 7.708 0.025 A 12 MET HA H 1 4.414 0.025 A 12 MET HBx H 1 1.709 0.025 A 12 MET HBy H 1 1.906 0.025 A 12 MET HE% H 1 1.797 0.025 A 12 MET HGy H 1 2.383 0.025 A 12 MET HGx H 1 2.151 0.025 A 12 MET C C 13 173.091 0.16 A 12 MET CA C 13 51.481 0.16 A 12 MET CB C 13 29.836 0.16 A 12 MET CE C 13 14.140 0.16 A 12 MET CG C 13 29.443 0.16 A 12 MET N N 15 118.348 0.12 A 13 TYR H H 1 8.075 0.025 A 13 TYR HA H 1 5.315 0.025 A 13 TYR HBx H 1 1.269 0.025 A 13 TYR HBy H 1 1.269 0.025 A 13 TYR HDx H 1 6.761 0.025 A 13 TYR HDy H 1 6.761 0.025 A 13 TYR HEx H 1 6.513 0.025 A 13 TYR HEy H 1 6.513 0.025 A 13 TYR C C 13 172.548 0.16 A 13 TYR CA C 13 53.734 0.16 A 13 TYR CB C 13 39.228 0.16 A 13 TYR CDx C 13 128.176 0.16 A 13 TYR CDy C 13 128.176 0.16 A 13 TYR CEx C 13 112.575 0.16 A 13 TYR CEy C 13 112.575 0.16 A 13 TYR N N 15 118.821 0.12 A 14 GLU H H 1 8.465 0.025 A 14 GLU HA H 1 5.025 0.025 A 14 GLU HBx H 1 1.727 0.025 A 14 GLU HBy H 1 1.856 0.025 A 14 GLU HGy H 1 2.122 0.025 A 14 GLU HGx H 1 1.850 0.025 A 14 GLU C C 13 170.538 0.16 A 14 GLU CA C 13 51.901 0.16 A 14 GLU CB C 13 31.010 0.16 A 14 GLU CG C 13 33.055 0.16 A 14 GLU N N 15 121.324 0.12 A 15 VAL H H 1 9.443 0.025 A 15 VAL HA H 1 5.867 0.025 A 15 VAL HB H 1 2.068 0.025 A 15 VAL HGx% H 1 0.848 0.025 A 15 VAL HGy% H 1 1.039 0.025 A 15 VAL C C 13 169.568 0.16 A 15 VAL CA C 13 55.198 0.16 A 15 VAL CB C 13 32.804 0.16 A 15 VAL CGy C 13 19.798 0.16 A 15 VAL CGx C 13 17.096 0.16 A 15 VAL N N 15 123.502 0.12 A 16 THR H H 1 9.124 0.025 A 16 THR HA H 1 5.397 0.025 A 16 THR HB H 1 3.923 0.025 A 16 THR HG2% H 1 1.164 0.025 A 16 THR C C 13 170.891 0.16 A 16 THR CA C 13 56.252 0.16 A 16 THR CB C 13 68.930 0.16 A 16 THR CG2 C 13 19.232 0.16 A 16 THR N N 15 118.576 0.12 A 17 ILE H H 1 9.023 0.025 A 17 ILE HA H 1 4.290 0.025 A 17 ILE HB H 1 1.240 0.025 A 17 ILE HD1% H 1 -0.305 0.025 A 17 ILE HG1x H 1 0.414 0.025 A 17 ILE HG1y H 1 0.414 0.025 A 17 ILE HG2% H 1 0.146 0.025 A 17 ILE C C 13 171.474 0.16 A 17 ILE CA C 13 58.186 0.16 A 17 ILE CB C 13 37.602 0.16 A 17 ILE CD1 C 13 13.019 0.16 A 17 ILE CG1 C 13 25.012 0.16 A 17 ILE CG2 C 13 11.330 0.16 A 17 ILE N N 15 124.351 0.12 A 18 GLU H H 1 8.602 0.025 A 18 GLU HA H 1 4.944 0.025 A 18 GLU HBx H 1 1.890 0.025 A 18 GLU HBy H 1 2.039 0.025 A 18 GLU HGx H 1 1.992 0.025 A 18 GLU HGy H 1 2.029 0.025 A 18 GLU C C 13 173.320 0.16 A 18 GLU CA C 13 51.877 0.16 A 18 GLU CB C 13 29.789 0.16 A 18 GLU CG C 13 34.840 0.16 A 18 GLU N N 15 125.259 0.12 A 19 GLN H H 1 9.418 0.025 A 19 GLN HA H 1 5.499 0.025 A 19 GLN HBy H 1 1.241 0.025 A 19 GLN HBx H 1 0.756 0.025 A 19 GLN HE2x H 1 6.838 0.025 A 19 GLN HE2y H 1 7.126 0.025 A 19 GLN HGx H 1 1.595 0.025 A 19 GLN HGy H 1 1.595 0.025 A 19 GLN C C 13 171.992 0.16 A 19 GLN CA C 13 51.255 0.16 A 19 GLN CB C 13 29.685 0.16 A 19 GLN CG C 13 32.616 0.16 A 19 GLN N N 15 123.950 0.12 A 19 GLN NE2 N 15 112.127 0.12 A 20 SER H H 1 8.954 0.025 A 20 SER HA H 1 4.930 0.025 A 20 SER HBx H 1 3.916 0.025 A 20 SER HBy H 1 4.043 0.025 A 20 SER C C 13 172.362 0.16 A 20 SER CA C 13 54.843 0.16 A 20 SER CB C 13 62.541 0.16 A 20 SER N N 15 114.358 0.12 A 21 GLY H H 1 9.006 0.025 A 21 GLY HAx H 1 3.952 0.025 A 21 GLY HAy H 1 4.469 0.025 A 21 GLY C C 13 173.531 0.16 A 21 GLY CA C 13 42.969 0.16 A 21 GLY N N 15 109.346 0.12 A 22 ASP H H 1 8.273 0.025 A 22 ASP HA H 1 4.942 0.025 A 22 ASP HBx H 1 2.411 0.025 A 22 ASP HBy H 1 3.196 0.025 A 22 ASP C C 13 175.379 0.16 A 22 ASP CA C 13 50.620 0.16 A 22 ASP CB C 13 36.409 0.16 A 22 ASP N N 15 126.409 0.12 A 23 PHE H H 1 7.833 0.025 A 23 PHE HA H 1 4.969 0.025 A 23 PHE HBy H 1 3.124 0.025 A 23 PHE HBx H 1 2.750 0.025 A 23 PHE HDx H 1 6.875 0.025 A 23 PHE HDy H 1 6.875 0.025 A 23 PHE HEx H 1 7.218 0.025 A 23 PHE HEy H 1 7.218 0.025 A 23 PHE C C 13 175.193 0.16 A 23 PHE CA C 13 57.350 0.16 A 23 PHE CB C 13 36.328 0.16 A 23 PHE CDx C 13 127.478 0.16 A 23 PHE CDy C 13 127.485 0.16 A 23 PHE CEx C 13 127.470 0.16 A 23 PHE CEy C 13 127.470 0.16 A 23 PHE N N 15 116.268 0.12 A 24 ARG H H 1 8.103 0.025 A 24 ARG HA H 1 3.950 0.025 A 24 ARG HBy H 1 1.741 0.025 A 24 ARG HBx H 1 1.475 0.025 A 24 ARG HDx H 1 2.870 0.025 A 24 ARG HDy H 1 3.060 0.025 A 24 ARG HGy H 1 1.202 0.025 A 24 ARG HGx H 1 0.894 0.025 A 24 ARG C C 13 174.288 0.16 A 24 ARG CA C 13 55.578 0.16 A 24 ARG CB C 13 26.301 0.16 A 24 ARG CD C 13 40.151 0.16 A 24 ARG CG C 13 26.182 0.16 A 24 ARG N N 15 121.463 0.12 A 25 SER H H 1 7.399 0.025 A 25 SER HA H 1 4.197 0.025 A 25 SER HBx H 1 3.568 0.025 A 25 SER HBy H 1 3.568 0.025 A 25 SER C C 13 169.877 0.16 A 25 SER CA C 13 56.988 0.16 A 25 SER CB C 13 60.400 0.16 A 25 SER N N 15 113.672 0.12 A 26 PHE H H 1 6.909 0.025 A 26 PHE HA H 1 4.407 0.025 A 26 PHE HBx H 1 2.461 0.025 A 26 PHE HBy H 1 2.684 0.025 A 26 PHE HDx H 1 6.876 0.025 A 26 PHE HDy H 1 6.876 0.025 A 26 PHE HEx H 1 7.153 0.025 A 26 PHE HEy H 1 7.153 0.025 A 26 PHE HZ H 1 6.989 0.025 A 26 PHE C C 13 172.044 0.16 A 26 PHE CA C 13 54.275 0.16 A 26 PHE CB C 13 39.144 0.16 A 26 PHE CDx C 13 127.552 0.16 A 26 PHE CDy C 13 127.552 0.16 A 26 PHE CEx C 13 126.096 0.16 A 26 PHE CEy C 13 126.096 0.16 A 26 PHE CZ C 13 124.650 0.16 A 26 PHE N N 15 118.894 0.12 A 27 ILE H H 1 8.950 0.025 A 27 ILE HA H 1 4.954 0.025 A 27 ILE HB H 1 1.685 0.025 A 27 ILE HD1% H 1 0.766 0.025 A 27 ILE HG1x H 1 1.027 0.025 A 27 ILE HG1y H 1 1.437 0.025 A 27 ILE C C 13 174.880 0.16 A 27 ILE CA C 13 57.885 0.16 A 27 ILE CB C 13 35.035 0.16 A 27 ILE CD1 C 13 10.489 0.16 A 27 ILE CG1 C 13 24.274 0.16 A 27 ILE N N 15 123.975 0.12 A 28 LYS H H 1 10.059 0.025 A 28 LYS HA H 1 4.893 0.025 A 28 LYS HBy H 1 1.995 0.025 A 28 LYS HBx H 1 1.663 0.025 A 28 LYS HDx H 1 2.052 0.025 A 28 LYS C C 13 172.925 0.16 A 28 LYS CA C 13 52.688 0.16 A 28 LYS CB C 13 31.345 0.16 A 28 LYS N N 15 131.216 0.12 A 29 SER H H 1 8.347 0.025 A 29 SER HA H 1 5.021 0.025 A 29 SER HBx H 1 3.616 0.025 A 29 SER HBy H 1 3.647 0.025 A 29 SER C C 13 170.710 0.16 A 29 SER CA C 13 54.321 0.16 A 29 SER CB C 13 62.420 0.16 A 29 SER N N 15 114.165 0.12 A 30 VAL H H 1 8.247 0.025 A 30 VAL HA H 1 4.865 0.025 A 30 VAL HB H 1 1.579 0.025 A 30 VAL HGx% H 1 0.637 0.025 A 30 VAL HGy% H 1 0.493 0.025 A 30 VAL C C 13 170.470 0.16 A 30 VAL CA C 13 58.534 0.16 A 30 VAL CB C 13 34.108 0.16 A 30 VAL CGy C 13 24.097 0.16 A 30 VAL CGx C 13 18.428 0.16 A 30 VAL N N 15 123.940 0.12 A 31 VAL H H 1 9.194 0.025 A 31 VAL HA H 1 4.947 0.025 A 31 VAL HB H 1 1.772 0.025 A 31 VAL HGx% H 1 0.493 0.025 A 31 VAL HGy% H 1 0.649 0.025 A 31 VAL C C 13 172.604 0.16 A 31 VAL CA C 13 58.201 0.16 A 31 VAL CB C 13 31.450 0.16 A 31 VAL CGy C 13 18.489 0.16 A 31 VAL CGx C 13 18.243 0.16 A 31 VAL N N 15 127.113 0.12 A 32 VAL H H 1 9.056 0.025 A 32 VAL HA H 1 4.610 0.025 A 32 VAL HB H 1 1.653 0.025 A 32 VAL HGx% H 1 0.536 0.025 A 32 VAL HGy% H 1 0.647 0.025 A 32 VAL C C 13 171.008 0.16 A 32 VAL CA C 13 58.045 0.16 A 32 VAL CB C 13 31.227 0.16 A 32 VAL CGy C 13 19.905 0.16 A 32 VAL CGx C 13 18.797 0.16 A 32 VAL N N 15 127.990 0.12 A 33 VAL H H 1 8.718 0.025 A 33 VAL HA H 1 4.125 0.025 A 33 VAL HB H 1 1.642 0.025 A 33 VAL HGx% H 1 0.673 0.025 A 33 VAL HGy% H 1 0.673 0.025 A 33 VAL C C 13 171.319 0.16 A 33 VAL CA C 13 57.510 0.16 A 33 VAL CB C 13 32.301 0.16 A 33 VAL CGx C 13 18.366 0.16 A 33 VAL CGy C 13 18.366 0.16 A 33 VAL N N 15 126.994 0.12 A 34 ALA H H 1 8.746 0.025 A 34 ALA HA H 1 5.037 0.025 A 34 ALA HB% H 1 1.221 0.025 A 34 ALA C C 13 171.857 0.16 A 34 ALA CA C 13 46.843 0.16 A 34 ALA CB C 13 19.393 0.16 A 34 ALA N N 15 128.089 0.12 A 35 ASN H H 1 7.857 0.025 A 35 ASN HA H 1 4.723 0.025 A 35 ASN HBx H 1 2.696 0.025 A 35 ASN HBy H 1 2.863 0.025 A 35 ASN HD2x H 1 6.839 0.025 A 35 ASN HD2y H 1 8.095 0.025 A 35 ASN C C 13 174.005 0.16 A 35 ASN CA C 13 50.947 0.16 A 35 ASN CB C 13 36.618 0.16 A 35 ASN N N 15 119.680 0.12 A 35 ASN ND2 N 15 111.980 0.12 A 36 GLY H H 1 8.779 0.025 A 36 GLY HAy H 1 4.494 0.025 A 36 GLY HAx H 1 3.723 0.025 A 36 GLY C C 13 170.573 0.16 A 36 GLY CA C 13 42.361 0.16 A 36 GLY N N 15 113.112 0.12 A 37 THR H H 1 7.553 0.025 A 37 THR HA H 1 4.654 0.025 A 37 THR HB H 1 4.001 0.025 A 37 THR HG2% H 1 1.029 0.025 A 37 THR C C 13 169.734 0.16 A 37 THR CA C 13 56.447 0.16 A 37 THR CB C 13 66.539 0.16 A 37 THR CG2 C 13 16.419 0.16 A 37 THR N N 15 114.086 0.12 A 38 GLN H H 1 8.100 0.025 A 38 GLN HA H 1 4.746 0.025 A 38 GLN HBx H 1 2.093 0.025 A 38 GLN HBy H 1 2.093 0.025 A 38 GLN HE2y H 1 7.176 0.025 A 38 GLN HE2x H 1 6.712 0.025 A 38 GLN HGy H 1 2.299 0.025 A 38 GLN HGx H 1 2.203 0.025 A 38 GLN C C 13 172.380 0.16 A 38 GLN CA C 13 52.425 0.16 A 38 GLN CB C 13 28.867 0.16 A 38 GLN CG C 13 32.464 0.16 A 38 GLN N N 15 119.203 0.12 A 38 GLN NE2 N 15 110.825 0.12 A 39 LEU H H 1 8.924 0.025 A 39 LEU HA H 1 5.160 0.025 A 39 LEU HBx H 1 1.282 0.025 A 39 LEU HBy H 1 1.663 0.025 A 39 LEU HDx% H 1 0.831 0.025 A 39 LEU HDy% H 1 0.910 0.025 A 39 LEU HG H 1 1.542 0.025 A 39 LEU C C 13 172.026 0.16 A 39 LEU CA C 13 49.992 0.16 A 39 LEU CB C 13 42.726 0.16 A 39 LEU CDy C 13 22.738 0.16 A 39 LEU CDx C 13 21.499 0.16 A 39 LEU CG C 13 25.774 0.16 A 39 LEU N N 15 120.932 0.12 A 40 LYS H H 1 9.478 0.025 A 40 LYS HA H 1 4.975 0.025 A 40 LYS HBy H 1 1.581 0.025 A 40 LYS HBx H 1 1.282 0.025 A 40 LYS HDx H 1 1.410 0.025 A 40 LYS HDy H 1 1.410 0.025 A 40 LYS HEx H 1 2.749 0.025 A 40 LYS HEy H 1 2.749 0.025 A 40 LYS HGx H 1 0.909 0.025 A 40 LYS HGy H 1 0.966 0.025 A 40 LYS C C 13 173.834 0.16 A 40 LYS CA C 13 51.772 0.16 A 40 LYS CB C 13 31.931 0.16 A 40 LYS CD C 13 26.641 0.16 A 40 LYS CE C 13 39.279 0.16 A 40 LYS CG C 13 21.473 0.16 A 40 LYS N N 15 121.508 0.12 A 41 ASP H H 1 8.526 0.025 A 41 ASP HA H 1 4.889 0.025 A 41 ASP HBy H 1 2.967 0.025 A 41 ASP HBx H 1 2.469 0.025 A 41 ASP C C 13 175.239 0.16 A 41 ASP CA C 13 51.069 0.16 A 41 ASP CB C 13 39.868 0.16 A 41 ASP N N 15 127.693 0.12 A 42 GLY H H 1 8.831 0.025 A 42 GLY HAy H 1 3.725 0.025 A 42 GLY HAx H 1 3.665 0.025 A 42 GLY C C 13 171.978 0.16 A 42 GLY CA C 13 44.499 0.16 A 42 GLY N N 15 115.554 0.12 A 43 ALA H H 1 8.647 0.025 A 43 ALA HA H 1 4.355 0.025 A 43 ALA HB% H 1 1.549 0.025 A 43 ALA C C 13 176.928 0.16 A 43 ALA CA C 13 51.494 0.16 A 43 ALA CB C 13 16.880 0.16 A 43 ALA N N 15 122.215 0.12 A 44 THR H H 1 7.766 0.025 A 44 THR HA H 1 4.395 0.025 A 44 THR HB H 1 4.322 0.025 A 44 THR HG2% H 1 1.191 0.025 A 44 THR C C 13 174.012 0.16 A 44 THR CA C 13 58.648 0.16 A 44 THR CB C 13 68.581 0.16 A 44 THR CG2 C 13 18.565 0.16 A 44 THR N N 15 105.783 0.12 A 45 GLY H H 1 8.385 0.025 A 45 GLY HAy H 1 4.116 0.025 A 45 GLY HAx H 1 3.616 0.025 A 45 GLY C C 13 171.055 0.16 A 45 GLY CA C 13 43.005 0.16 A 45 GLY N N 15 111.388 0.12 A 46 GLU H H 1 7.817 0.025 A 46 GLU HA H 1 4.142 0.025 A 46 GLU HBx H 1 1.841 0.025 A 46 GLU HBy H 1 1.923 0.025 A 46 GLU HGy H 1 2.272 0.025 A 46 GLU HGx H 1 2.164 0.025 A 46 GLU C C 13 172.774 0.16 A 46 GLU CA C 13 53.896 0.16 A 46 GLU CB C 13 28.201 0.16 A 46 GLU CG C 13 33.133 0.16 A 46 GLU N N 15 120.992 0.12 A 47 SER H H 1 8.466 0.025 A 47 SER HA H 1 4.880 0.025 A 47 SER HBy H 1 3.687 0.025 A 47 SER HBx H 1 3.603 0.025 A 47 SER C C 13 170.950 0.16 A 47 SER CA C 13 55.258 0.16 A 47 SER CB C 13 61.052 0.16 A 47 SER N N 15 117.885 0.12 A 48 LEU H H 1 9.501 0.025 A 48 LEU HA H 1 4.559 0.025 A 48 LEU HBx H 1 1.489 0.025 A 48 LEU HBy H 1 1.489 0.025 A 48 LEU HDx% H 1 0.810 0.025 A 48 LEU HDy% H 1 0.818 0.025 A 48 LEU HG H 1 1.507 0.025 A 48 LEU C C 13 172.802 0.16 A 48 LEU CA C 13 50.957 0.16 A 48 LEU CB C 13 42.847 0.16 A 48 LEU CDy C 13 23.551 0.16 A 48 LEU CDx C 13 20.636 0.16 A 48 LEU CG C 13 24.039 0.16 A 48 LEU N N 15 127.192 0.12 A 49 ALA H H 1 8.131 0.025 A 49 ALA HA H 1 4.271 0.025 A 49 ALA HB% H 1 1.295 0.025 A 49 ALA C C 13 173.821 0.16 A 49 ALA CA C 13 48.706 0.16 A 49 ALA CB C 13 16.380 0.16 A 49 ALA N N 15 123.115 0.12 A 50 SER H H 1 8.315 0.025 A 50 SER HA H 1 4.652 0.025 A 50 SER HBy H 1 3.915 0.025 A 50 SER HBx H 1 3.733 0.025 A 50 SER CA C 13 52.442 0.16 A 50 SER CB C 13 61.238 0.16 A 50 SER N N 15 112.472 0.12 A 51 PRO HA H 1 5.183 0.025 A 51 PRO HBy H 1 2.022 0.025 A 51 PRO HBx H 1 1.614 0.025 A 51 PRO HDy H 1 3.551 0.025 A 51 PRO HDx H 1 3.526 0.025 A 51 PRO HGy H 1 1.856 0.025 A 51 PRO HGx H 1 1.805 0.025 A 51 PRO C C 13 172.809 0.16 A 51 PRO CA C 13 59.408 0.16 A 51 PRO CB C 13 32.279 0.16 A 51 PRO CD C 13 47.673 0.16 A 51 PRO CG C 13 21.834 0.16 A 52 VAL H H 1 9.022 0.025 A 52 VAL HA H 1 4.119 0.025 A 52 VAL HB H 1 1.751 0.025 A 52 VAL HGx% H 1 0.718 0.025 A 52 VAL HGy% H 1 0.910 0.025 A 52 VAL C C 13 171.498 0.16 A 52 VAL CA C 13 59.001 0.16 A 52 VAL CB C 13 30.826 0.16 A 52 VAL CGx C 13 18.030 0.16 A 52 VAL CGy C 13 21.761 0.16 A 52 VAL N N 15 122.574 0.12 A 53 ILE H H 1 8.381 0.025 A 53 ILE HA H 1 4.557 0.025 A 53 ILE HB H 1 1.700 0.025 A 53 ILE HD1% H 1 0.763 0.025 A 53 ILE HG1y H 1 1.399 0.025 A 53 ILE HG1x H 1 0.992 0.025 A 53 ILE HG2% H 1 0.706 0.025 A 53 ILE C C 13 173.343 0.16 A 53 ILE CA C 13 57.398 0.16 A 53 ILE CB C 13 36.096 0.16 A 53 ILE CD1 C 13 10.703 0.16 A 53 ILE CG1 C 13 25.028 0.16 A 53 ILE CG2 C 13 14.718 0.16 A 53 ILE N N 15 127.591 0.12 A 54 LEU H H 1 9.645 0.025 A 54 LEU HA H 1 4.537 0.025 A 54 LEU HBy H 1 1.932 0.025 A 54 LEU HBx H 1 1.145 0.025 A 54 LEU HDx% H 1 0.652 0.025 A 54 LEU HDy% H 1 0.561 0.025 A 54 LEU HG H 1 1.420 0.025 A 54 LEU C C 13 172.496 0.16 A 54 LEU CA C 13 50.837 0.16 A 54 LEU CB C 13 39.611 0.16 A 54 LEU CDx C 13 20.508 0.16 A 54 LEU CDy C 13 22.997 0.16 A 54 LEU CG C 13 23.830 0.16 A 54 LEU N N 15 129.185 0.12 A 55 SER H H 1 8.932 0.025 A 55 SER HA H 1 5.074 0.025 A 55 SER HBx H 1 4.029 0.025 A 55 SER HBy H 1 4.271 0.025 A 55 SER C C 13 172.109 0.16 A 55 SER CA C 13 53.397 0.16 A 55 SER CB C 13 63.331 0.16 A 55 SER N N 15 120.367 0.12 A 56 ASP H H 1 8.369 0.025 A 56 ASP HA H 1 4.392 0.025 A 56 ASP HBx H 1 2.588 0.025 A 56 ASP HBy H 1 2.666 0.025 A 56 ASP C C 13 175.957 0.16 A 56 ASP CA C 13 56.602 0.16 A 56 ASP CB C 13 39.365 0.16 A 56 ASP N N 15 119.741 0.12 A 57 GLU H H 1 8.329 0.025 A 57 GLU HA H 1 4.045 0.025 A 57 GLU HBy H 1 1.943 0.025 A 57 GLU HBx H 1 1.899 0.025 A 57 GLU HGx H 1 2.275 0.025 A 57 GLU HGy H 1 2.275 0.025 A 57 GLU C C 13 176.187 0.16 A 57 GLU CA C 13 56.535 0.16 A 57 GLU CB C 13 26.381 0.16 A 57 GLU CG C 13 33.394 0.16 A 57 GLU N N 15 117.479 0.12 A 58 GLU H H 1 7.789 0.025 A 58 GLU HA H 1 4.212 0.025 A 58 GLU HBy H 1 2.217 0.025 A 58 GLU HBx H 1 2.140 0.025 A 58 GLU HGx H 1 2.253 0.025 A 58 GLU HGy H 1 2.599 0.025 A 58 GLU C C 13 174.076 0.16 A 58 GLU CA C 13 56.515 0.16 A 58 GLU CB C 13 27.368 0.16 A 58 GLU CG C 13 34.238 0.16 A 58 GLU N N 15 118.716 0.12 A 59 LEU H H 1 7.746 0.025 A 59 LEU HA H 1 4.430 0.025 A 59 LEU HBy H 1 1.960 0.025 A 59 LEU HBx H 1 1.623 0.025 A 59 LEU HDx% H 1 0.532 0.025 A 59 LEU HDy% H 1 0.641 0.025 A 59 LEU HG H 1 1.470 0.025 A 59 LEU C C 13 172.911 0.16 A 59 LEU CA C 13 50.670 0.16 A 59 LEU CB C 13 39.169 0.16 A 59 LEU CDx C 13 19.145 0.16 A 59 LEU CDy C 13 24.012 0.16 A 59 LEU CG C 13 23.789 0.16 A 59 LEU N N 15 116.833 0.12 A 60 ALA H H 1 7.294 0.025 A 60 ALA HA H 1 4.569 0.025 A 60 ALA HB% H 1 1.499 0.025 A 60 ALA C C 13 174.596 0.16 A 60 ALA CA C 13 50.436 0.16 A 60 ALA CB C 13 16.173 0.16 A 60 ALA N N 15 121.791 0.12 A 61 VAL H H 1 6.768 0.025 A 61 VAL HA H 1 4.540 0.025 A 61 VAL HB H 1 2.298 0.025 A 61 VAL HGx% H 1 0.819 0.025 A 61 VAL HGy% H 1 0.953 0.025 A 61 VAL C C 13 171.870 0.16 A 61 VAL CA C 13 56.374 0.16 A 61 VAL CB C 13 30.988 0.16 A 61 VAL CGx C 13 15.599 0.16 A 61 VAL CGy C 13 18.813 0.16 A 61 VAL N N 15 109.641 0.12 A 62 GLU H H 1 8.648 0.025 A 62 GLU HA H 1 3.628 0.025 A 62 GLU HBx H 1 2.128 0.025 A 62 GLU HBy H 1 2.128 0.025 A 62 GLU HGx H 1 2.478 0.025 A 62 GLU HGy H 1 2.509 0.025 A 62 GLU C C 13 172.445 0.16 A 62 GLU CA C 13 56.944 0.16 A 62 GLU CB C 13 27.491 0.16 A 62 GLU CG C 13 34.323 0.16 A 62 GLU N N 15 117.682 0.12 A 63 LYS H H 1 7.435 0.025 A 63 LYS HA H 1 5.395 0.025 A 63 LYS HBx H 1 1.634 0.025 A 63 LYS HDx H 1 1.540 0.025 A 63 LYS HDy H 1 1.540 0.025 A 63 LYS HEx H 1 2.689 0.025 A 63 LYS HEy H 1 2.689 0.025 A 63 LYS HGx H 1 1.069 0.025 A 63 LYS HGy H 1 1.069 0.025 A 63 LYS C C 13 171.966 0.16 A 63 LYS CA C 13 52.108 0.16 A 63 LYS CB C 13 32.957 0.16 A 63 LYS CD C 13 26.890 0.16 A 63 LYS CG C 13 22.712 0.16 A 63 LYS N N 15 117.306 0.12 A 64 VAL H H 1 8.528 0.025 A 64 VAL HA H 1 4.228 0.025 A 64 VAL HB H 1 1.607 0.025 A 64 VAL HGx% H 1 0.718 0.025 A 64 VAL HGy% H 1 0.718 0.025 A 64 VAL C C 13 171.468 0.16 A 64 VAL CA C 13 58.285 0.16 A 64 VAL CB C 13 32.832 0.16 A 64 VAL CGx C 13 18.216 0.16 A 64 VAL CGy C 13 18.216 0.16 A 64 VAL N N 15 125.885 0.12 A 65 THR H H 1 8.858 0.025 A 65 THR HA H 1 5.227 0.025 A 65 THR HB H 1 3.742 0.025 A 65 THR HG2% H 1 1.021 0.025 A 65 THR C C 13 170.784 0.16 A 65 THR CA C 13 58.357 0.16 A 65 THR CB C 13 68.988 0.16 A 65 THR CG2 C 13 18.309 0.16 A 65 THR N N 15 122.384 0.12 A 66 LEU H H 1 8.796 0.025 A 66 LEU HA H 1 5.366 0.025 A 66 LEU HBx H 1 1.259 0.025 A 66 LEU HBy H 1 1.596 0.025 A 66 LEU HDx% H 1 0.717 0.025 A 66 LEU HDy% H 1 0.848 0.025 A 66 LEU HG H 1 1.567 0.025 A 66 LEU C C 13 172.713 0.16 A 66 LEU CA C 13 50.739 0.16 A 66 LEU CB C 13 44.416 0.16 A 66 LEU CDy C 13 23.952 0.16 A 66 LEU CDx C 13 21.738 0.16 A 66 LEU CG C 13 24.877 0.16 A 66 LEU N N 15 125.107 0.12 A 67 SER H H 1 8.358 0.025 A 67 SER HA H 1 5.333 0.025 A 67 SER HBx H 1 3.717 0.025 A 67 SER HBy H 1 3.834 0.025 A 67 SER C C 13 171.414 0.16 A 67 SER CA C 13 53.149 0.16 A 67 SER CB C 13 62.433 0.16 A 67 SER N N 15 114.475 0.12 A 68 THR H H 1 9.039 0.025 A 68 THR HA H 1 5.058 0.025 A 68 THR HB H 1 5.024 0.025 A 68 THR HG2% H 1 1.300 0.025 A 68 THR C C 13 173.612 0.16 A 68 THR CA C 13 58.549 0.16 A 68 THR CB C 13 66.452 0.16 A 68 THR CG2 C 13 21.066 0.16 A 68 THR N N 15 114.239 0.12 A 69 THR H H 1 8.626 0.025 A 69 THR HA H 1 3.972 0.025 A 69 THR HB H 1 4.175 0.025 A 69 THR HG2% H 1 0.989 0.025 A 69 THR C C 13 172.686 0.16 A 69 THR CA C 13 60.677 0.16 A 69 THR CB C 13 65.089 0.16 A 69 THR CG2 C 13 20.360 0.16 A 69 THR N N 15 115.512 0.12 A 70 GLY H H 1 7.585 0.025 A 70 GLY HAy H 1 4.140 0.025 A 70 GLY HAx H 1 3.638 0.025 A 70 GLY C C 13 169.830 0.16 A 70 GLY CA C 13 40.969 0.16 A 70 GLY N N 15 112.649 0.12 A 71 LYS H H 1 8.301 0.025 A 71 LYS HA H 1 3.737 0.025 A 71 LYS HBy H 1 1.492 0.025 A 71 LYS HBx H 1 1.191 0.025 A 71 LYS HDx H 1 1.312 0.025 A 71 LYS HDy H 1 1.312 0.025 A 71 LYS HEx H 1 3.755 0.025 A 71 LYS HEy H 1 3.988 0.025 A 71 LYS HGx H 1 1.301 0.025 A 71 LYS HGy H 1 1.301 0.025 A 71 LYS C C 13 173.223 0.16 A 71 LYS CA C 13 54.715 0.16 A 71 LYS CB C 13 30.657 0.16 A 71 LYS CD C 13 26.710 0.16 A 71 LYS CE C 13 41.827 0.16 A 71 LYS CG C 13 21.035 0.16 A 71 LYS N N 15 120.451 0.12 A 72 ALA H H 1 9.155 0.025 A 72 ALA HA H 1 4.850 0.025 A 72 ALA HB% H 1 1.556 0.025 A 72 ALA C C 13 175.406 0.16 A 72 ALA CA C 13 46.988 0.16 A 72 ALA CB C 13 19.325 0.16 A 72 ALA N N 15 123.707 0.12 A 73 ILE H H 1 8.625 0.025 A 73 ILE HA H 1 4.053 0.025 A 73 ILE HB H 1 1.830 0.025 A 73 ILE HD1% H 1 0.767 0.025 A 73 ILE HG1y H 1 1.404 0.025 A 73 ILE HG1x H 1 1.127 0.025 A 73 ILE HG2% H 1 0.877 0.025 A 73 ILE C C 13 173.411 0.16 A 73 ILE CA C 13 59.751 0.16 A 73 ILE CB C 13 36.151 0.16 A 73 ILE CD1 C 13 10.229 0.16 A 73 ILE CG1 C 13 24.735 0.16 A 73 ILE CG2 C 13 15.423 0.16 A 73 ILE N N 15 120.092 0.12 A 74 GLU H H 1 7.302 0.025 A 74 GLU HA H 1 4.869 0.025 A 74 GLU HBy H 1 2.056 0.025 A 74 GLU HBx H 1 1.895 0.025 A 74 GLU HGy H 1 2.307 0.025 A 74 GLU HGx H 1 2.153 0.025 A 74 GLU C C 13 171.037 0.16 A 74 GLU CA C 13 52.356 0.16 A 74 GLU CB C 13 31.867 0.16 A 74 GLU CG C 13 34.261 0.16 A 74 GLU N N 15 115.157 0.12 A 75 PHE H H 1 8.665 0.025 A 75 PHE HA H 1 5.160 0.025 A 75 PHE HBx H 1 1.609 0.025 A 75 PHE HBy H 1 1.609 0.025 A 75 PHE HDx H 1 6.648 0.025 A 75 PHE HDy H 1 6.648 0.025 A 75 PHE HEx H 1 6.881 0.025 A 75 PHE HEy H 1 6.881 0.025 A 75 PHE C C 13 169.375 0.16 A 75 PHE CA C 13 53.041 0.16 A 75 PHE CB C 13 39.866 0.16 A 75 PHE CDx C 13 127.247 0.16 A 75 PHE CDy C 13 127.247 0.16 A 75 PHE CEy C 13 120.834 0.16 A 75 PHE CEx C 13 120.832 0.16 A 75 PHE N N 15 124.407 0.12 A 76 ALA H H 1 8.537 0.025 A 76 ALA HA H 1 4.966 0.025 A 76 ALA HB% H 1 1.264 0.025 A 76 ALA C C 13 172.126 0.16 A 76 ALA CA C 13 47.670 0.16 A 76 ALA CB C 13 20.456 0.16 A 76 ALA N N 15 128.560 0.12 A 77 VAL H H 1 8.159 0.025 A 77 VAL HA H 1 4.686 0.025 A 77 VAL HB H 1 1.729 0.025 A 77 VAL HGx% H 1 0.595 0.025 A 77 VAL HGy% H 1 0.549 0.025 A 77 VAL C C 13 171.034 0.16 A 77 VAL CA C 13 57.832 0.16 A 77 VAL CB C 13 32.795 0.16 A 77 VAL CGx C 13 18.443 0.16 A 77 VAL CGy C 13 18.443 0.16 A 77 VAL N N 15 119.281 0.12 A 78 SER H H 1 9.014 0.025 A 78 SER HA H 1 5.197 0.025 A 78 SER HBx H 1 3.852 0.025 A 78 SER HBy H 1 3.852 0.025 A 78 SER C C 13 170.082 0.16 A 78 SER CA C 13 53.135 0.16 A 78 SER CB C 13 63.382 0.16 A 78 SER N N 15 121.585 0.12 A 79 GLY H H 1 8.421 0.025 A 79 GLY HAx H 1 4.523 0.025 A 79 GLY HAy H 1 4.523 0.025 A 79 GLY C C 13 169.335 0.16 A 79 GLY CA C 13 43.660 0.16 A 79 GLY N N 15 107.939 0.12 A 80 GLY H H 1 8.883 0.025 A 80 GLY HAy H 1 4.370 0.025 A 80 GLY HAx H 1 4.121 0.025 A 80 GLY C C 13 168.660 0.16 A 80 GLY CA C 13 43.261 0.16 A 80 GLY N N 15 106.729 0.12 A 81 VAL H H 1 7.330 0.025 A 81 VAL HA H 1 4.871 0.025 A 81 VAL HB H 1 0.502 0.025 A 81 VAL HGx% H 1 -0.711 0.025 A 81 VAL HGy% H 1 -0.130 0.025 A 81 VAL C C 13 171.333 0.16 A 81 VAL CA C 13 56.520 0.16 A 81 VAL CB C 13 33.179 0.16 A 81 VAL CGx C 13 18.387 0.16 A 81 VAL CGy C 13 19.746 0.16 A 81 VAL N N 15 115.409 0.12 A 82 VAL H H 1 8.512 0.025 A 82 VAL HA H 1 4.096 0.025 A 82 VAL HB H 1 1.820 0.025 A 82 VAL HGx% H 1 0.839 0.025 A 82 VAL HGy% H 1 0.777 0.025 A 82 VAL C C 13 171.360 0.16 A 82 VAL CA C 13 57.049 0.16 A 82 VAL CB C 13 33.767 0.16 A 82 VAL CGx C 13 18.653 0.16 A 82 VAL CGy C 13 18.653 0.16 A 82 VAL N N 15 119.898 0.12 A 83 ASP H H 1 8.378 0.025 A 83 ASP HA H 1 3.988 0.025 A 83 ASP HBy H 1 2.828 0.025 A 83 ASP HBx H 1 2.428 0.025 A 83 ASP C C 13 173.400 0.16 A 83 ASP CA C 13 51.418 0.16 A 83 ASP CB C 13 37.211 0.16 A 83 ASP N N 15 124.374 0.12 A 84 GLY H H 1 8.253 0.025 A 84 GLY HAy H 1 4.148 0.025 A 84 GLY HAx H 1 3.603 0.025 A 84 GLY C C 13 171.374 0.16 A 84 GLY CA C 13 42.409 0.16 A 84 GLY N N 15 115.997 0.12 A 85 GLU H H 1 8.568 0.025 A 85 GLU HA H 1 4.612 0.025 A 85 GLU HBy H 1 2.032 0.025 A 85 GLU HBx H 1 1.778 0.025 A 85 GLU HGx H 1 2.063 0.025 A 85 GLU HGy H 1 2.194 0.025 A 85 GLU C C 13 173.838 0.16 A 85 GLU CA C 13 51.691 0.16 A 85 GLU CB C 13 27.573 0.16 A 85 GLU CG C 13 32.127 0.16 A 85 GLU N N 15 121.282 0.12 A 86 ASP H H 1 9.121 0.025 A 86 ASP HA H 1 4.357 0.025 A 86 ASP HBx H 1 2.541 0.025 A 86 ASP HBy H 1 2.541 0.025 A 86 ASP C C 13 174.448 0.16 A 86 ASP CA C 13 53.325 0.16 A 86 ASP CB C 13 37.587 0.16 A 86 ASP N N 15 130.428 0.12 A 87 GLY H H 1 8.612 0.025 A 87 GLY HAy H 1 3.982 0.025 A 87 GLY HAx H 1 3.675 0.025 A 87 GLY C C 13 170.414 0.16 A 87 GLY CA C 13 42.398 0.16 A 87 GLY N N 15 108.493 0.12 A 88 VAL H H 1 6.862 0.025 A 88 VAL HA H 1 4.042 0.025 A 88 VAL HB H 1 1.670 0.025 A 88 VAL HGx% H 1 0.686 0.025 A 88 VAL HGy% H 1 0.632 0.025 A 88 VAL C C 13 171.984 0.16 A 88 VAL CA C 13 57.657 0.16 A 88 VAL CB C 13 33.078 0.16 A 88 VAL CGx C 13 17.912 0.16 A 88 VAL CGy C 13 17.912 0.16 A 88 VAL N N 15 118.928 0.12 A 89 VAL H H 1 8.960 0.025 A 89 VAL HA H 1 4.059 0.025 A 89 VAL HB H 1 1.886 0.025 A 89 VAL HGx% H 1 0.718 0.025 A 89 VAL HGy% H 1 0.817 0.025 A 89 VAL C C 13 172.113 0.16 A 89 VAL CA C 13 59.668 0.16 A 89 VAL CB C 13 27.473 0.16 A 89 VAL CGx C 13 18.096 0.16 A 89 VAL CGy C 13 18.209 0.16 A 89 VAL N N 15 131.792 0.12 A 90 ASN H H 1 9.072 0.025 A 90 ASN HA H 1 4.579 0.025 A 90 ASN HBx H 1 2.086 0.025 A 90 ASN HBy H 1 2.952 0.025 A 90 ASN HD2x H 1 6.768 0.025 A 90 ASN HD2y H 1 7.231 0.025 A 90 ASN C C 13 172.764 0.16 A 90 ASN CA C 13 51.890 0.16 A 90 ASN CB C 13 37.733 0.16 A 90 ASN N N 15 129.808 0.12 A 90 ASN ND2 N 15 114.123 0.12 A 91 GLU H H 1 8.741 0.025 A 91 GLU HA H 1 4.487 0.025 A 91 GLU HBy H 1 2.256 0.025 A 91 GLU HBx H 1 1.828 0.025 A 91 GLU HGx H 1 2.295 0.025 A 91 GLU HGy H 1 2.401 0.025 A 91 GLU CA C 13 52.414 0.16 A 91 GLU CB C 13 26.197 0.16 A 91 GLU CG C 13 33.821 0.16 A 91 GLU N N 15 123.165 0.12 A 92 PRO HA H 1 4.817 0.025 A 92 PRO HBx H 1 1.930 0.025 A 92 PRO HBy H 1 1.930 0.025 A 92 PRO HDx H 1 3.615 0.025 A 92 PRO HDy H 1 3.740 0.025 A 92 PRO HGy H 1 2.270 0.025 A 92 PRO HGx H 1 1.832 0.025 A 92 PRO C C 13 175.050 0.16 A 92 PRO CA C 13 59.879 0.16 A 92 PRO CB C 13 25.241 0.16 A 92 PRO CD C 13 47.177 0.16 A 92 PRO CG C 13 26.273 0.16 A 93 MET H H 1 8.643 0.025 A 93 MET HA H 1 5.175 0.025 A 93 MET HBx H 1 1.373 0.025 A 93 MET HBy H 1 1.931 0.025 A 93 MET HE% H 1 1.154 0.025 A 93 MET HGy H 1 1.455 0.025 A 93 MET HGx H 1 0.894 0.025 A 93 MET C C 13 170.208 0.16 A 93 MET CA C 13 51.392 0.16 A 93 MET CB C 13 33.677 0.16 A 93 MET CE C 13 14.135 0.16 A 93 MET CG C 13 28.575 0.16 A 93 MET N N 15 116.804 0.12 A 94 GLN H H 1 8.198 0.025 A 94 GLN HA H 1 5.272 0.025 A 94 GLN HBx H 1 1.780 0.025 A 94 GLN HBy H 1 1.860 0.025 A 94 GLN HE2y H 1 6.564 0.025 A 94 GLN HGx H 1 2.054 0.025 A 94 GLN HGy H 1 2.054 0.025 A 94 GLN C C 13 171.788 0.16 A 94 GLN CA C 13 51.204 0.16 A 94 GLN CB C 13 29.883 0.16 A 94 GLN CG C 13 32.038 0.16 A 94 GLN N N 15 119.277 0.12 A 94 GLN NE2 N 15 109.311 0.12 A 95 TRP H H 1 8.952 0.025 A 95 TRP HA H 1 5.608 0.025 A 95 TRP HBy H 1 3.103 0.025 A 95 TRP HBx H 1 2.748 0.025 A 95 TRP HD1 H 1 7.018 0.025 A 95 TRP HE1 H 1 11.274 0.025 A 95 TRP HE3 H 1 7.152 0.025 A 95 TRP HH2 H 1 6.707 0.025 A 95 TRP HZ2 H 1 6.787 0.025 A 95 TRP HZ3 H 1 6.623 0.025 A 95 TRP C C 13 173.335 0.16 A 95 TRP CA C 13 50.136 0.16 A 95 TRP CB C 13 32.214 0.16 A 95 TRP CD1 C 13 118.210 0.16 A 95 TRP CE3 C 13 114.478 0.16 A 95 TRP CH2 C 13 125.271 0.16 A 95 TRP CZ2 C 13 110.23 0.16 A 95 TRP CZ3 C 13 122.808 0.16 A 95 TRP N N 15 123.846 0.12 A 95 TRP NE1 N 15 129.873 0.12 A 96 VAL H H 1 8.795 0.025 A 96 VAL HA H 1 4.875 0.025 A 96 VAL HB H 1 1.858 0.025 A 96 VAL HGx% H 1 0.861 0.025 A 96 VAL HGy% H 1 0.861 0.025 A 96 VAL C C 13 173.932 0.16 A 96 VAL CA C 13 59.371 0.16 A 96 VAL CB C 13 30.737 0.16 A 96 VAL CGx C 13 18.218 0.16 A 96 VAL CGy C 13 18.218 0.16 A 96 VAL N N 15 120.922 0.12 A 97 VAL H H 1 9.483 0.025 A 97 VAL HA H 1 4.934 0.025 A 97 VAL HB H 1 1.829 0.025 A 97 VAL HGx% H 1 0.663 0.025 A 97 VAL HGy% H 1 0.663 0.025 A 97 VAL C C 13 171.487 0.16 A 97 VAL CA C 13 58.126 0.16 A 97 VAL CB C 13 30.899 0.16 A 97 VAL CGx C 13 18.064 0.16 A 97 VAL CGy C 13 18.064 0.16 A 97 VAL N N 15 132.918 0.12 A 98 THR H H 1 8.862 0.025 A 98 THR HA H 1 4.995 0.025 A 98 THR HB H 1 3.926 0.025 A 98 THR HG2% H 1 0.725 0.025 A 98 THR C C 13 170.006 0.16 A 98 THR CA C 13 58.471 0.16 A 98 THR CB C 13 66.836 0.16 A 98 THR CG2 C 13 18.263 0.16 A 98 THR N N 15 123.728 0.12 A 99 VAL H H 1 8.576 0.025 A 99 VAL HA H 1 4.884 0.025 A 99 VAL HB H 1 1.642 0.025 A 99 VAL HGx% H 1 0.594 0.025 A 99 VAL HGy% H 1 0.925 0.025 A 99 VAL C C 13 171.414 0.16 A 99 VAL CA C 13 58.113 0.16 A 99 VAL CB C 13 31.705 0.16 A 99 VAL CGx C 13 18.316 0.16 A 99 VAL CGy C 13 18.668 0.16 A 99 VAL N N 15 124.895 0.12 A 100 TYR H H 1 9.312 0.025 A 100 TYR HA H 1 4.952 0.025 A 100 TYR HBx H 1 2.162 0.025 A 100 TYR HBy H 1 2.616 0.025 A 100 TYR HDx H 1 6.570 0.025 A 100 TYR HDy H 1 6.570 0.025 A 100 TYR HEx H 1 6.555 0.025 A 100 TYR HEy H 1 6.555 0.025 A 100 TYR C C 13 171.672 0.16 A 100 TYR CA C 13 52.541 0.16 A 100 TYR CB C 13 38.817 0.16 A 100 TYR CDx C 13 128.069 0.16 A 100 TYR CDy C 13 128.109 0.16 A 100 TYR CEy C 13 113.131 0.16 A 100 TYR CEx C 13 113.086 0.16 A 100 TYR N N 15 126.192 0.12 A 101 LYS H H 1 8.883 0.025 A 101 LYS HA H 1 4.537 0.025 A 101 LYS HBx H 1 1.055 0.025 A 101 LYS HBy H 1 1.454 0.025 A 101 LYS HDy H 1 0.453 0.025 A 101 LYS HDx H 1 0.223 0.025 A 101 LYS HEx H 1 2.533 0.025 A 101 LYS HEy H 1 2.582 0.025 A 101 LYS HGy H 1 0.468 0.025 A 101 LYS C C 13 173.795 0.16 A 101 LYS CA C 13 51.041 0.16 A 101 LYS CB C 13 33.779 0.16 A 101 LYS CD C 13 22.539 0.16 A 101 LYS CE C 13 39.348 0.16 A 101 LYS CG C 13 20.970 0.16 A 101 LYS N N 15 122.676 0.12 A 102 ASN H H 1 9.602 0.025 A 102 ASN HA H 1 4.152 0.025 A 102 ASN HBy H 1 2.873 0.025 A 102 ASN HBx H 1 2.666 0.025 A 102 ASN HD2x H 1 7.199 0.025 A 102 ASN HD2y H 1 7.694 0.025 A 102 ASN C C 13 172.582 0.16 A 102 ASN CA C 13 50.834 0.16 A 102 ASN CB C 13 34.326 0.16 A 102 ASN N N 15 128.486 0.12 A 102 ASN ND2 N 15 115.042 0.12 A 103 GLY H H 1 8.852 0.025 A 103 GLY HAx H 1 3.406 0.025 A 103 GLY HAy H 1 3.978 0.025 A 103 GLY CA C 13 42.429 0.16 A 103 GLY N N 15 102.973 0.12 A 104 LYS H H 1 7.613 0.025 A 104 LYS HA H 1 4.604 0.025 A 104 LYS HBx H 1 1.634 0.025 A 104 LYS HBy H 1 1.723 0.025 A 104 LYS HDx H 1 1.589 0.025 A 104 LYS HDy H 1 1.589 0.025 A 104 LYS HEx H 1 2.927 0.025 A 104 LYS HEy H 1 2.927 0.025 A 104 LYS HGy H 1 1.339 0.025 A 104 LYS HGx H 1 1.259 0.025 A 104 LYS C C 13 172.677 0.16 A 104 LYS CA C 13 51.471 0.16 A 104 LYS CB C 13 31.832 0.16 A 104 LYS CD C 13 26.220 0.16 A 104 LYS CE C 13 39.497 0.16 A 104 LYS CG C 13 21.857 0.16 A 104 LYS N N 15 120.846 0.12 A 105 GLU H H 1 8.964 0.025 A 105 GLU HA H 1 3.555 0.025 A 105 GLU HBx H 1 1.651 0.025 A 105 GLU HBy H 1 1.757 0.025 A 105 GLU HGx H 1 1.526 0.025 A 105 GLU HGy H 1 1.526 0.025 A 105 GLU C C 13 174.048 0.16 A 105 GLU CA C 13 55.056 0.16 A 105 GLU CB C 13 27.368 0.16 A 105 GLU CG C 13 33.039 0.16 A 105 GLU N N 15 127.209 0.12 A 106 ILE H H 1 8.931 0.025 A 106 ILE HA H 1 4.592 0.025 A 106 ILE HB H 1 1.868 0.025 A 106 ILE HD1% H 1 0.475 0.025 A 106 ILE HG1x H 1 0.632 0.025 A 106 ILE HG1y H 1 1.016 0.025 A 106 ILE HG2% H 1 0.796 0.025 A 106 ILE C C 13 172.576 0.16 A 106 ILE CA C 13 57.994 0.16 A 106 ILE CB C 13 38.120 0.16 A 106 ILE CD1 C 13 12.556 0.16 A 106 ILE CG1 C 13 23.548 0.16 A 106 ILE CG2 C 13 15.938 0.16 A 106 ILE N N 15 121.621 0.12 A 107 GLU H H 1 7.439 0.025 A 107 GLU HA H 1 4.373 0.025 A 107 GLU HBy H 1 2.221 0.025 A 107 GLU HBx H 1 1.718 0.025 A 107 GLU HGy H 1 2.209 0.025 A 107 GLU HGx H 1 2.155 0.025 A 107 GLU C C 13 170.185 0.16 A 107 GLU CA C 13 54.293 0.16 A 107 GLU CB C 13 30.791 0.16 A 107 GLU CG C 13 33.723 0.16 A 107 GLU N N 15 123.222 0.12 A 108 LYS H H 1 8.502 0.025 A 108 LYS HA H 1 5.147 0.025 A 108 LYS HBx H 1 1.520 0.025 A 108 LYS HBy H 1 1.584 0.025 A 108 LYS HGx H 1 1.279 0.025 A 108 LYS HGy H 1 1.279 0.025 A 108 LYS C C 13 172.501 0.16 A 108 LYS CA C 13 53.174 0.16 A 108 LYS CB C 13 31.824 0.16 A 108 LYS N N 15 126.670 0.12 A 109 LYS H H 1 9.371 0.025 A 109 LYS HA H 1 4.733 0.025 A 109 LYS HBx H 1 1.574 0.025 A 109 LYS HBy H 1 1.685 0.025 A 109 LYS HDx H 1 1.694 0.025 A 109 LYS HDy H 1 1.694 0.025 A 109 LYS HEx H 1 2.933 0.025 A 109 LYS HEy H 1 2.991 0.025 A 109 LYS HGx H 1 1.334 0.025 A 109 LYS HGy H 1 1.334 0.025 A 109 LYS C C 13 171.634 0.16 A 109 LYS CA C 13 51.249 0.16 A 109 LYS CB C 13 32.956 0.16 A 109 LYS CD C 13 26.045 0.16 A 109 LYS CE C 13 39.120 0.16 A 109 LYS CG C 13 21.561 0.16 A 109 LYS N N 15 128.071 0.12 A 110 SER H H 1 8.598 0.025 A 110 SER HA H 1 5.434 0.025 A 110 SER HBy H 1 3.645 0.025 A 110 SER HBx H 1 3.574 0.025 A 110 SER C C 13 171.040 0.16 A 110 SER CA C 13 53.750 0.16 A 110 SER CB C 13 60.827 0.16 A 110 SER N N 15 120.162 0.12 A 111 LEU H H 1 9.365 0.025 A 111 LEU HA H 1 4.494 0.025 A 111 LEU HBy H 1 1.411 0.025 A 111 LEU HBx H 1 0.934 0.025 A 111 LEU HDx% H 1 0.943 0.025 A 111 LEU HDy% H 1 1.044 0.025 A 111 LEU HG H 1 1.465 0.025 A 111 LEU C C 13 171.408 0.16 A 111 LEU CA C 13 51.401 0.16 A 111 LEU CB C 13 43.759 0.16 A 111 LEU CDx C 13 22.245 0.16 A 111 LEU CDy C 13 24.677 0.16 A 111 LEU CG C 13 24.937 0.16 A 111 LEU N N 15 127.535 0.12 A 112 VAL H H 1 7.803 0.025 A 112 VAL HA H 1 4.354 0.025 A 112 VAL HB H 1 1.587 0.025 A 112 VAL HGx% H 1 0.688 0.025 A 112 VAL HGy% H 1 0.688 0.025 A 112 VAL C C 13 171.704 0.16 A 112 VAL CA C 13 57.878 0.16 A 112 VAL CB C 13 31.402 0.16 A 112 VAL CGx C 13 18.279 0.16 A 112 VAL CGy C 13 18.279 0.16 A 112 VAL N N 15 121.571 0.12 A 113 PHE H H 1 8.342 0.025 A 113 PHE HA H 1 4.796 0.025 A 113 PHE HBy H 1 2.258 0.025 A 113 PHE HBx H 1 1.658 0.025 A 113 PHE HDx H 1 6.487 0.025 A 113 PHE HDy H 1 6.487 0.025 A 113 PHE HEx H 1 6.563 0.025 A 113 PHE HEy H 1 6.563 0.025 A 113 PHE C C 13 170.540 0.16 A 113 PHE CA C 13 52.358 0.16 A 113 PHE CB C 13 38.108 0.16 A 113 PHE CDy C 13 127.087 0.16 A 113 PHE CEy C 13 125.722 0.16 A 113 PHE N N 15 125.540 0.12 A 114 ARG H H 1 8.595 0.025 A 114 ARG HA H 1 4.641 0.025 A 114 ARG HBy H 1 1.904 0.025 A 114 ARG HBx H 1 1.594 0.025 A 114 ARG HDx H 1 3.118 0.025 A 114 ARG HDy H 1 3.118 0.025 A 114 ARG HGy H 1 1.486 0.025 A 114 ARG HGx H 1 1.380 0.025 A 114 ARG C C 13 172.310 0.16 A 114 ARG CA C 13 51.680 0.16 A 114 ARG CB C 13 31.174 0.16 A 114 ARG CD C 13 40.270 0.16 A 114 ARG CG C 13 26.037 0.16 A 114 ARG N N 15 119.643 0.12 A 115 ASP H H 1 8.897 0.025 A 115 ASP HA H 1 4.267 0.025 A 115 ASP HBy H 1 3.114 0.025 A 115 ASP HBx H 1 2.313 0.025 A 115 ASP C C 13 174.752 0.16 A 115 ASP CA C 13 53.679 0.16 A 115 ASP CB C 13 40.715 0.16 A 115 ASP N N 15 117.466 0.12 A 116 GLY H H 1 10.313 0.025 A 116 GLY HAy H 1 4.159 0.025 A 116 GLY HAx H 1 3.602 0.025 A 116 GLY C C 13 171.943 0.16 A 116 GLY CA C 13 41.847 0.16 A 116 GLY N N 15 115.618 0.12 A 117 LYS H H 1 7.592 0.025 A 117 LYS HA H 1 4.198 0.025 A 117 LYS HBx H 1 1.803 0.025 A 117 LYS HBy H 1 2.512 0.025 A 117 LYS HDx H 1 1.796 0.025 A 117 LYS HDy H 1 2.027 0.025 A 117 LYS HEy H 1 3.199 0.025 A 117 LYS HEx H 1 2.671 0.025 A 117 LYS HGy H 1 1.582 0.025 A 117 LYS HGx H 1 1.090 0.025 A 117 LYS C C 13 173.207 0.16 A 117 LYS CA C 13 54.293 0.16 A 117 LYS CB C 13 30.061 0.16 A 117 LYS CD C 13 25.581 0.16 A 117 LYS CE C 13 40.512 0.16 A 117 LYS CG C 13 22.970 0.16 A 117 LYS N N 15 121.755 0.12 A 118 GLU H H 1 8.832 0.025 A 118 GLU HA H 1 4.593 0.025 A 118 GLU HBy H 1 2.154 0.025 A 118 GLU HBx H 1 1.932 0.025 A 118 GLU HGy H 1 2.463 0.025 A 118 GLU HGx H 1 2.290 0.025 A 118 GLU CA C 13 52.497 0.16 A 118 GLU CB C 13 29.244 0.16 A 118 GLU CG C 13 33.448 0.16 A 118 GLU N N 15 129.965 0.12 A 119 ILE H H 1 7.812 0.025 A 119 ILE HA H 1 3.910 0.025 A 119 ILE HB H 1 1.644 0.025 A 119 ILE HD1% H 1 0.792 0.025 A 119 ILE HG1y H 1 1.380 0.025 A 119 ILE HG1x H 1 1.065 0.025 A 119 ILE HG2% H 1 0.780 0.025 A 119 ILE C C 13 172.633 0.16 A 119 ILE CA C 13 58.937 0.16 A 119 ILE CB C 13 36.279 0.16 A 119 ILE CD1 C 13 14.260 0.16 A 119 ILE CG1 C 13 26.072 0.16 A 119 ILE CG2 C 13 18.487 0.16 A 119 ILE N N 15 124.567 0.12 A 120 SER H H 1 8.197 0.025 A 120 SER HA H 1 4.621 0.025 A 120 SER HBx H 1 3.728 0.025 A 120 SER HBy H 1 3.844 0.025 A 120 SER C C 13 171.938 0.16 A 120 SER CA C 13 54.127 0.16 A 120 SER CB C 13 61.639 0.16 A 120 SER N N 15 120.170 0.12 A 121 THR H H 1 8.387 0.025 A 121 THR HA H 1 4.283 0.025 A 121 THR HB H 1 4.281 0.025 A 121 THR HG2% H 1 1.076 0.025 A 121 THR C C 13 171.888 0.16 A 121 THR CA C 13 58.968 0.16 A 121 THR CB C 13 66.687 0.16 A 121 THR CG2 C 13 18.875 0.16 A 121 THR N N 15 115.284 0.12 A 122 ASP H H 1 8.330 0.025 A 122 ASP HA H 1 4.726 0.025 A 122 ASP HBy H 1 2.647 0.025 A 122 ASP HBx H 1 2.552 0.025 A 122 ASP C C 13 173.277 0.16 A 122 ASP CA C 13 51.282 0.16 A 122 ASP CB C 13 38.218 0.16 A 122 ASP N N 15 121.007 0.12 A 123 ASP H H 1 8.191 0.025 A 123 ASP HA H 1 4.493 0.025 A 123 ASP HBy H 1 2.865 0.025 A 123 ASP HBx H 1 2.661 0.025 A 123 ASP C C 13 173.212 0.16 A 123 ASP CA C 13 54.368 0.16 A 123 ASP CB C 13 39.086 0.16 A 123 ASP N N 15 121.462 0.12 A 124 LEU H H 1 7.721 0.025 A 124 LEU HA H 1 4.428 0.025 A 124 LEU HBy H 1 1.680 0.025 A 124 LEU HBx H 1 1.388 0.025 A 124 LEU HDx% H 1 0.613 0.025 A 124 LEU HDy% H 1 0.802 0.025 A 124 LEU HG H 1 1.047 0.025 A 124 LEU C C 13 172.477 0.16 A 124 LEU CA C 13 51.488 0.16 A 124 LEU CB C 13 41.469 0.16 A 124 LEU CDy C 13 23.725 0.16 A 124 LEU CDx C 13 20.985 0.16 A 124 LEU CG C 13 24.512 0.16 A 124 LEU N N 15 117.572 0.12 A 125 ASN H H 1 9.065 0.025 A 125 ASN HA H 1 4.862 0.025 A 125 ASN HBx H 1 2.555 0.025 A 125 ASN HBy H 1 2.738 0.025 A 125 ASN HD2x H 1 6.739 0.025 A 125 ASN HD2y H 1 7.608 0.025 A 125 ASN C C 13 170.015 0.16 A 125 ASN CA C 13 51.306 0.16 A 125 ASN CB C 13 36.548 0.16 A 125 ASN N N 15 125.852 0.12 A 125 ASN ND2 N 15 112.256 0.12 A 126 LEU H H 1 9.033 0.025 A 126 LEU HA H 1 4.611 0.025 A 126 LEU HBx H 1 1.655 0.025 A 126 LEU HBy H 1 1.778 0.025 A 126 LEU HDx% H 1 0.781 0.025 A 126 LEU HDy% H 1 0.790 0.025 A 126 LEU HG H 1 1.473 0.025 A 126 LEU C C 13 173.620 0.16 A 126 LEU CA C 13 50.959 0.16 A 126 LEU CB C 13 40.309 0.16 A 126 LEU CDy C 13 22.584 0.16 A 126 LEU CDx C 13 19.578 0.16 A 126 LEU N N 15 124.201 0.12 A 127 TYR H H 1 7.812 0.025 A 127 TYR HA H 1 4.748 0.025 A 127 TYR HBy H 1 2.776 0.025 A 127 TYR HBx H 1 2.402 0.025 A 127 TYR HDx H 1 6.763 0.025 A 127 TYR HDy H 1 6.763 0.025 A 127 TYR HEx H 1 6.446 0.025 A 127 TYR HEy H 1 6.446 0.025 A 127 TYR C C 13 169.415 0.16 A 127 TYR CA C 13 55.513 0.16 A 127 TYR CB C 13 38.914 0.16 A 127 TYR CDx C 13 128.185 0.16 A 127 TYR CDy C 13 128.198 0.16 A 127 TYR CEx C 13 115.147 0.16 A 127 TYR CEy C 13 115.147 0.16 A 127 TYR N N 15 124.562 0.12 A 128 TYR H H 1 8.390 0.025 A 128 TYR HA H 1 4.424 0.025 A 128 TYR HBy H 1 3.283 0.025 A 128 TYR HBx H 1 2.346 0.025 A 128 TYR HDx H 1 6.979 0.025 A 128 TYR HDy H 1 6.979 0.025 A 128 TYR HEx H 1 6.515 0.025 A 128 TYR HEy H 1 6.515 0.025 A 128 TYR C C 13 169.997 0.16 A 128 TYR CA C 13 54.317 0.16 A 128 TYR CB C 13 39.406 0.16 A 128 TYR CDx C 13 129.214 0.16 A 128 TYR CDy C 13 129.214 0.16 A 128 TYR CEy C 13 112.670 0.16 A 128 TYR CEx C 13 112.669 0.16 A 128 TYR N N 15 126.347 0.12 A 129 ASN H H 1 7.799 0.025 A 129 ASN HA H 1 4.428 0.025 A 129 ASN HBy H 1 3.104 0.025 A 129 ASN HBx H 1 2.708 0.025 A 129 ASN HD2x H 1 6.711 0.025 A 129 ASN HD2y H 1 7.314 0.025 A 129 ASN CA C 13 50.956 0.16 A 129 ASN CB C 13 37.426 0.16 A 129 ASN N N 15 123.791 0.12 A 129 ASN ND2 N 15 110.708 0.12 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 65 THR HG2% A 42 GLY HAy 1.0 . 4.90 2 2 A 41 ASP HA A 42 GLY HAx 1.0 . 4.60 3 3 A 65 THR HG2% A 42 GLY HAx 1.0 . 4.78 4 4 A 66 LEU HBy A 66 LEU HDx% 1.0 . 3.99 5 5 A 66 LEU HBy A 15 VAL H 1.0 . 4.79 6 6 A 40 LYS H A 66 LEU HBx 1.0 . 4.72 7 7 A 30 VAL HA A 79 GLY HAx 1.0 . 4.05 8 7 A 30 VAL HA A 79 GLY HAy 1.0 . 4.05 9 8 A 95 TRP H A 111 LEU HBy 1.0 . 4.87 10 9 A 124 LEU HBy A 79 GLY HAx 1.0 . 4.94 11 9 A 79 GLY HAy A 124 LEU HBy 1.0 . 4.94 12 10 A 111 LEU HBy A 94 GLN HA 1.0 . 4.47 13 11 A 95 TRP HBy A 111 LEU HBx 1.0 . 4.74 14 12 A 80 GLY HAy A 123 ASP HBy 1.0 . 4.01 15 13 A 80 GLY HAx A 81 VAL H 1.0 . 3.38 16 14 A 123 ASP HBy A 80 GLY HAx 1.0 . 4.12 17 15 A 80 GLY HAx A 81 VAL HGx% 1.0 . 5.37 18 16 A 40 LYS HGy A 45 GLY HAy 1.0 . 4.79 19 17 A 40 LYS HGx A 45 GLY HAx 1.0 . 4.06 20 18 A 21 GLY HAy A 22 ASP H 1.0 . 3.31 21 19 A 22 ASP H A 21 GLY HAx 1.0 . 3.53 22 20 A 39 LEU H A 48 LEU HBx 1.0 . 4.79 23 20 A 39 LEU H A 48 LEU HBy 1.0 . 4.79 24 21 A 6 PRO HBx A 7 GLY HAx 1.0 . 5.21 25 21 A 6 PRO HBx A 7 GLY HAy 1.0 . 5.21 26 22 A 40 LYS H A 39 LEU HBy 1.0 . 4.26 27 23 A 48 LEU H A 48 LEU HBx 1.0 . 3.40 28 23 A 48 LEU HBy A 48 LEU H 1.0 . 3.40 29 24 A 87 GLY HAx A 88 VAL HGx% 1.0 . 5.50 30 25 A 39 LEU HBy A 48 LEU HBx 1.0 . 3.37 31 25 A 48 LEU HBy A 39 LEU HBy 1.0 . 3.37 32 26 A 39 LEU HBy A 39 LEU HDx% 1.0 . 3.48 33 27 A 40 LYS H A 39 LEU HBx 1.0 . 3.95 34 28 A 39 LEU H A 39 LEU HBx 1.0 . 4.09 35 29 A 35 ASN HBy A 36 GLY HAy 1.0 . 4.66 36 30 A 35 ASN HA A 36 GLY HAx 1.0 . 4.44 37 31 A 71 LYS HEy A 72 ALA H 1.0 . 5.17 38 32 A 71 LYS HBx A 71 LYS HEx 1.0 . 4.86 39 33 A 72 ALA H A 71 LYS HEx 1.0 . 4.87 40 34 A 124 LEU HBy A 125 ASN H 1.0 . 4.86 41 35 A 124 LEU HBy A 78 SER HA 1.0 . 5.14 42 36 A 124 LEU HBx A 124 LEU HDy% 1.0 . 3.94 43 37 A 124 LEU HBx A 123 ASP HBx 1.0 . 4.96 44 38 A 70 GLY HAy A 71 LYS H 1.0 . 3.32 45 39 A 112 VAL HGx% A 114 ARG HDx 1.0 . 4.13 46 39 A 112 VAL HGy% A 114 ARG HDx 1.0 . 4.13 47 39 A 114 ARG HDy A 112 VAL HGx% 1.0 . 4.13 48 39 A 112 VAL HGy% A 114 ARG HDy 1.0 . 4.13 49 40 A 115 ASP H A 115 ASP HBx 1.0 . 3.47 50 41 A 115 ASP HBx A 114 ARG HA 1.0 . 5.08 51 42 A 114 ARG HBy A 114 ARG HDx 1.0 . 3.37 52 42 A 114 ARG HDy A 114 ARG HBy 1.0 . 3.37 53 43 A 115 ASP HBx A 114 ARG HBy 1.0 . 5.04 54 44 A 24 ARG HA A 24 ARG HDy 1.0 . 4.70 55 45 A 24 ARG HDy A 24 ARG HBy 1.0 . 3.79 56 46 A 24 ARG HDy A 24 ARG H 1.0 . 5.03 57 47 A 24 ARG HDy A 24 ARG HBx 1.0 . 3.51 58 48 A 24 ARG HA A 24 ARG HDx 1.0 . 4.60 59 49 A 24 ARG HBx A 24 ARG HDx 1.0 . 3.61 60 50 A 126 LEU HBy A 128 TYR HE% 1.0 . 4.24 61 51 A 126 LEU HBy A 126 LEU HDx% 1.0 . 3.64 62 52 A 126 LEU HBy A 77 VAL HGx% 1.0 . 5.34 63 53 A 77 VAL HGy% A 126 LEU HBx 1.0 . 4.97 64 54 A 126 LEU HBx A 77 VAL H 1.0 . 4.49 65 55 A 126 LEU HBx A 126 LEU HDx% 1.0 . 3.75 66 56 A 24 ARG HBy A 24 ARG HDx 1.0 . 3.94 67 57 A 126 LEU HBy A 77 VAL H 1.0 . 4.66 68 58 A 126 LEU HBx A 127 TYR H 1.0 . 4.42 69 59 A 24 ARG H A 24 ARG HDx 1.0 . 4.93 70 60 A 54 LEU HBx A 58 GLU H 1.0 . 5.11 71 61 A 41 ASP H A 41 ASP HBy 1.0 . 3.24 72 62 A 41 ASP HBx A 46 GLU H 1.0 . 4.19 73 63 A 41 ASP H A 41 ASP HBx 1.0 . 3.23 74 64 A 41 ASP HBx A 46 GLU HBy 1.0 . 5.13 75 65 A 41 ASP HBx A 48 LEU HG 1.0 . 4.68 76 66 A 41 ASP HBx A 48 LEU HDy% 1.0 . 3.71 77 67 A 41 ASP HBx A 42 GLY H 1.0 . 4.82 78 68 A 54 LEU HBx A 30 VAL H 1.0 . 4.88 79 69 A 54 LEU HBx A 54 LEU H 1.0 . 4.16 80 70 A 104 LYS HDx A 104 LYS HEx 1.0 . 2.68 81 70 A 104 LYS HDy A 104 LYS HEx 1.0 . 2.68 82 70 A 104 LYS HEy A 104 LYS HDx 1.0 . 2.68 83 70 A 104 LYS HDy A 104 LYS HEy 1.0 . 2.68 84 71 A 104 LYS HGy A 104 LYS HEx 1.0 . 3.30 85 71 A 104 LYS HEy A 104 LYS HGy 1.0 . 3.30 86 72 A 128 TYR HBy A 75 PHE HBx 1.0 . 4.41 87 72 A 75 PHE HBy A 128 TYR HBy 1.0 . 4.41 88 73 A 109 LYS HEy A 126 LEU HG 1.0 . 4.81 89 74 A 109 LYS HEy A 111 LEU HDx% 1.0 . 4.96 90 75 A 109 LYS HEy A 126 LEU HDy% 1.0 . 3.99 91 76 A 56 ASP H A 56 ASP HBy 1.0 . 3.17 92 77 A 123 ASP HBx A 111 LEU HDy% 1.0 . 4.01 93 78 A 101 LYS HEy A 102 ASN HD2x 1.0 . 5.07 94 79 A 101 LYS HEy A 11 ALA HB% 1.0 . 3.99 95 80 A 102 ASN HD2x A 101 LYS HEx 1.0 . 5.05 96 81 A 128 TYR HBx A 75 PHE HBx 1.0 . 3.96 97 81 A 75 PHE HBy A 128 TYR HBx 1.0 . 3.96 98 82 A 75 PHE HD% A 13 TYR HBx 1.0 . 4.24 99 82 A 13 TYR HBy A 75 PHE HD% 1.0 . 4.24 100 83 A 14 GLU HA A 13 TYR HBx 1.0 . 4.77 101 83 A 13 TYR HBy A 14 GLU HA 1.0 . 4.77 102 84 A 109 LYS HEy A 109 LYS HGx 1.0 . 3.80 103 84 A 109 LYS HEy A 109 LYS HGy 1.0 . 3.80 104 85 A 45 GLY H A 40 LYS HEx 1.0 . 4.15 105 85 A 40 LYS HEy A 45 GLY H 1.0 . 4.15 106 86 A 40 LYS HA A 40 LYS HEx 1.0 . 4.62 107 86 A 40 LYS HEy A 40 LYS HA 1.0 . 4.62 108 87 A 45 GLY HAy A 40 LYS HEx 1.0 . 4.42 109 87 A 45 GLY HAy A 40 LYS HEy 1.0 . 4.42 110 88 A 45 GLY HAx A 40 LYS HEx 1.0 . 4.00 111 88 A 45 GLY HAx A 40 LYS HEy 1.0 . 4.00 112 89 A 40 LYS HGy A 40 LYS HEx 1.0 . 3.31 113 89 A 40 LYS HGy A 40 LYS HEy 1.0 . 3.31 114 90 A 123 ASP HBx A 124 LEU H 1.0 . 3.87 115 91 A 19 GLN HE2y A 59 LEU HBy 1.0 . 4.29 116 92 A 59 LEU HBy A 19 GLN HE2x 1.0 . 4.67 117 93 A 19 GLN HE2y A 59 LEU HBx 1.0 . 4.97 118 94 A 123 ASP HBy A 81 VAL H 1.0 . 4.83 119 95 A 123 ASP HBy A 124 LEU H 1.0 . 3.87 120 96 A 26 PHE HBy A 27 ILE H 1.0 . 4.46 121 97 A 14 GLU H A 100 TYR HBx 1.0 . 4.82 122 98 A 127 TYR H A 127 TYR HBy 1.0 . 3.88 123 99 A 127 TYR HBy A 76 ALA HA 1.0 . 4.56 124 100 A 14 GLU HBx A 100 TYR HBy 1.0 . 3.94 125 101 A 126 LEU HA A 127 TYR HBx 1.0 . 5.05 126 102 A 127 TYR HBx A 128 TYR H 1.0 . 4.75 127 103 A 100 TYR HBx A 14 GLU HBx 1.0 . 4.17 128 104 A 100 TYR HBx A 101 LYS H 1.0 . 3.86 129 105 A 4 ASP H A 4 ASP HBy 1.0 . 4.18 130 106 A 122 ASP H A 122 ASP HBy 1.0 . 3.70 131 107 A 122 ASP H A 122 ASP HBx 1.0 . 3.91 132 108 A 93 MET HGy A 113 PHE HBy 1.0 . 4.77 133 109 A 113 PHE HBy A 93 MET HGx 1.0 . 5.09 134 110 A 113 PHE HBy A 114 ARG H 1.0 . 4.40 135 111 A 81 VAL HGx% A 113 PHE HBy 1.0 . 4.86 136 112 A 93 MET HGx A 113 PHE HBx 1.0 . 4.59 137 113 A 81 VAL HGx% A 113 PHE HBx 1.0 . 5.27 138 114 A 4 ASP H A 3 ASP HBy 1.0 . 4.96 139 115 A 106 ILE H A 106 ILE HB 1.0 . 4.04 140 116 A 90 ASN H A 90 ASN HBy 1.0 . 4.05 141 117 A 90 ASN HBy A 91 GLU H 1.0 . 3.88 142 118 A 90 ASN HBy A 90 ASN HD2y 1.0 . 4.07 143 119 A 90 ASN H A 90 ASN HBx 1.0 . 3.60 144 120 A 91 GLU H A 90 ASN HBx 1.0 . 4.21 145 121 A 74 GLU HA A 129 ASN HBy 1.0 . 4.25 146 122 A 129 ASN HBy A 129 ASN HD2y 1.0 . 3.94 147 123 A 129 ASN HBy A 74 GLU HGy 1.0 . 4.94 148 124 A 74 GLU HGy A 129 ASN HBx 1.0 . 4.89 149 125 A 74 GLU HA A 129 ASN HBx 1.0 . 4.28 150 126 A 86 ASP H A 86 ASP HBx 1.0 . 3.34 151 126 A 86 ASP H A 86 ASP HBy 1.0 . 3.34 152 127 A 87 GLY H A 86 ASP HBx 1.0 . 3.96 153 127 A 86 ASP HBy A 87 GLY H 1.0 . 3.96 154 128 A 85 GLU HBx A 86 ASP HBx 1.0 . 5.11 155 128 A 86 ASP HBy A 85 GLU HBx 1.0 . 5.11 156 129 A 17 ILE H A 17 ILE HB 1.0 . 3.45 157 130 A 17 ILE HB A 64 VAL H 1.0 . 4.57 158 131 A 17 ILE HB A 16 THR HA 1.0 . 4.44 159 132 A 83 ASP HBy A 116 GLY H 1.0 . 4.25 160 133 A 83 ASP HBy A 83 ASP H 1.0 . 3.33 161 134 A 83 ASP H A 83 ASP HBx 1.0 . 3.43 162 135 A 83 ASP HBy A 85 GLU H 1.0 . 5.17 163 136 A 83 ASP HBy A 117 LYS H 1.0 . 4.77 164 137 A 83 ASP HBx A 26 PHE HD% 1.0 . 4.93 165 138 A 74 GLU HGy A 35 ASN HBx 1.0 . 4.93 166 139 A 35 ASN HBy A 35 ASN HD2y 1.0 . 3.71 167 140 A 35 ASN HBy A 35 ASN H 1.0 . 3.26 168 141 A 35 ASN HBy A 74 GLU HBx 1.0 . 3.56 169 142 A 35 ASN HBy A 73 ILE H 1.0 . 4.28 170 143 A 125 ASN H A 125 ASN HBy 1.0 . 3.58 171 144 A 35 ASN HBx A 33 VAL HGx% 1.0 . 4.86 172 144 A 35 ASN HBx A 33 VAL HGy% 1.0 . 4.86 173 145 A 35 ASN HBx A 73 ILE H 1.0 . 4.25 174 146 A 35 ASN HBx A 35 ASN H 1.0 . 3.20 175 147 A 35 ASN HBx A 74 GLU H 1.0 . 4.09 176 148 A 35 ASN HBx A 74 GLU HBx 1.0 . 3.59 177 149 A 35 ASN HBx A 73 ILE HG1y 1.0 . 4.61 178 150 A 125 ASN H A 125 ASN HBx 1.0 . 3.66 179 151 A 125 ASN HBx A 125 ASN HD2y 1.0 . 4.00 180 152 A 22 ASP H A 22 ASP HBy 1.0 . 3.75 181 153 A 22 ASP HBy A 26 PHE HE% 1.0 . 4.86 182 154 A 22 ASP HBy A 91 GLU HBx 1.0 . 4.07 183 155 A 23 PHE HBy A 93 MET HBx 1.0 . 5.31 184 156 A 19 GLN HBx A 23 PHE HBx 1.0 . 4.85 185 157 A 91 GLU H A 22 ASP HBx 1.0 . 4.50 186 158 A 22 ASP H A 22 ASP HBx 1.0 . 3.62 187 159 A 26 PHE HE% A 22 ASP HBx 1.0 . 4.96 188 160 A 91 GLU HBx A 22 ASP HBx 1.0 . 3.62 189 161 A 26 PHE HD% A 22 ASP HBy 1.0 . 5.06 190 162 A 91 GLU H A 22 ASP HBy 1.0 . 4.25 191 163 A 23 PHE HBx A 93 MET HBy 1.0 . 4.33 192 164 A 119 ILE HB A 120 SER H 1.0 . 2.96 193 165 A 35 ASN HBx A 73 ILE HB 1.0 . 4.34 194 166 A 73 ILE H A 73 ILE HB 1.0 . 3.34 195 167 A 35 ASN HD2y A 73 ILE HB 1.0 . 4.71 196 168 A 74 GLU H A 73 ILE HB 1.0 . 4.16 197 169 A 73 ILE HB A 72 ALA HA 1.0 . 5.11 198 170 A 35 ASN HBy A 73 ILE HB 1.0 . 3.91 199 171 A 53 ILE H A 53 ILE HB 1.0 . 3.12 200 172 A 53 ILE HB A 52 VAL HA 1.0 . 4.58 201 173 A 54 LEU H A 53 ILE HB 1.0 . 4.52 202 174 A 27 ILE HB A 82 VAL H 1.0 . 4.37 203 175 A 27 ILE H A 27 ILE HB 1.0 . 3.46 204 176 A 18 GLU HGy A 63 LYS HA 1.0 . 5.50 205 177 A 18 GLU HGy A 63 LYS HGx 1.0 . 4.04 206 177 A 18 GLU HGy A 63 LYS HGy 1.0 . 4.04 207 178 A 18 GLU HGx A 19 GLN H 1.0 . 5.05 208 179 A 63 LYS HA A 18 GLU HGx 1.0 . 4.85 209 180 A 27 ILE HB A 28 LYS H 1.0 . 5.04 210 181 A 18 GLU HGy A 18 GLU HA 1.0 . 3.76 211 182 A 18 GLU HGy A 18 GLU H 1.0 . 4.25 212 183 A 18 GLU HGx A 18 GLU HA 1.0 . 3.97 213 184 A 18 GLU HGx A 16 THR HB 1.0 . 4.94 214 185 A 62 GLU HGy A 63 LYS H 1.0 . 4.39 215 186 A 62 GLU HGy A 63 LYS HBx 1.0 . 4.88 216 187 A 62 GLU HGy A 62 GLU H 1.0 . 3.60 217 188 A 62 GLU HGy A 61 VAL HA 1.0 . 4.63 218 189 A 62 GLU HGy A 62 GLU HA 1.0 . 3.78 219 190 A 62 GLU H A 62 GLU HGx 1.0 . 3.69 220 191 A 63 LYS H A 62 GLU HGx 1.0 . 4.46 221 192 A 63 LYS HBx A 62 GLU HGx 1.0 . 4.68 222 193 A 102 ASN HBy A 102 ASN HD2y 1.0 . 3.66 223 194 A 102 ASN HBy A 101 LYS HGy 1.0 . 4.90 224 195 A 102 ASN HD2y A 102 ASN HBx 1.0 . 3.57 225 196 A 58 GLU H A 58 GLU HGy 1.0 . 4.00 226 197 A 58 GLU HGy A 55 SER H 1.0 . 4.68 227 198 A 58 GLU HGy A 54 LEU HA 1.0 . 4.53 228 199 A 54 LEU HBx A 58 GLU HGy 1.0 . 5.40 229 200 A 74 GLU HGy A 74 GLU H 1.0 . 4.42 230 201 A 74 GLU HGy A 13 TYR HE% 1.0 . 4.95 231 202 A 74 GLU HA A 74 GLU HGy 1.0 . 4.19 232 203 A 74 GLU HGy A 73 ILE HG2% 1.0 . 4.76 233 204 A 74 GLU HGy A 35 ASN HD2y 1.0 . 4.78 234 205 A 55 SER H A 58 GLU HGx 1.0 . 4.72 235 206 A 58 GLU H A 58 GLU HGx 1.0 . 3.91 236 207 A 58 GLU HGx A 54 LEU HDx% 1.0 . 4.28 237 208 A 74 GLU H A 74 GLU HGx 1.0 . 4.61 238 209 A 35 ASN HBy A 74 GLU HGx 1.0 . 4.78 239 210 A 30 VAL H A 30 VAL HB 1.0 . 3.66 240 211 A 30 VAL HB A 54 LEU HBy 1.0 . 3.39 241 212 A 54 LEU HBx A 30 VAL HB 1.0 . 4.04 242 213 A 30 VAL HB A 31 VAL H 1.0 . 4.74 243 214 A 30 VAL HB A 29 SER HA 1.0 . 4.97 244 215 A 91 GLU H A 91 GLU HGy 1.0 . 3.88 245 216 A 91 GLU HGy A 91 GLU HA 1.0 . 3.65 246 217 A 91 GLU HGy A 92 PRO HDx 1.0 . 4.45 247 218 A 54 LEU H A 30 VAL HB 1.0 . 4.37 248 219 A 30 VAL HB A 53 ILE HA 1.0 . 4.99 249 220 A 92 PRO HDx A 91 GLU HGx 1.0 . 4.88 250 221 A 60 ALA HB% A 57 GLU HGx 1.0 . 5.50 251 221 A 57 GLU HGy A 60 ALA HB% 1.0 . 5.50 252 222 A 107 GLU HGy A 109 LYS HGx 1.0 . 4.69 253 222 A 107 GLU HGx A 109 LYS HGx 1.0 . 4.69 254 222 A 109 LYS HGy A 107 GLU HGy 1.0 . 4.69 255 222 A 109 LYS HGy A 107 GLU HGx 1.0 . 4.69 256 223 A 108 LYS H A 107 GLU HGy 1.0 . 3.55 257 223 A 107 GLU HGx A 108 LYS H 1.0 . 3.55 258 224 A 107 GLU H A 107 GLU HGy 1.0 . 4.89 259 224 A 107 GLU HGx A 107 GLU H 1.0 . 4.89 260 225 A 82 VAL H A 82 VAL HB 1.0 . 4.01 261 226 A 101 LYS H A 101 LYS HBy 1.0 . 3.96 262 227 A 101 LYS HBy A 100 TYR HA 1.0 . 4.90 263 228 A 101 LYS HBx A 101 LYS HDy 1.0 . 3.71 264 229 A 101 LYS HBx A 101 LYS HDx 1.0 . 4.23 265 230 A 101 LYS HBx A 106 ILE HG2% 1.0 . 4.94 266 231 A 108 LYS HA A 107 GLU HGy 1.0 . 5.06 267 231 A 107 GLU HGx A 108 LYS HA 1.0 . 5.06 268 232 A 126 LEU HDx% A 107 GLU HGy 1.0 . 4.01 269 232 A 107 GLU HGx A 126 LEU HDx% 1.0 . 4.01 270 233 A 93 MET HBy A 94 GLN H 1.0 . 4.19 271 234 A 93 MET HBx A 23 PHE HA 1.0 . 4.57 272 235 A 93 MET HBx A 23 PHE HD% 1.0 . 5.23 273 236 A 93 MET HBx A 23 PHE HBx 1.0 . 4.74 274 237 A 118 GLU H A 118 GLU HGy 1.0 . 4.00 275 238 A 118 GLU HGy A 118 GLU HA 1.0 . 3.80 276 239 A 118 GLU H A 118 GLU HGx 1.0 . 4.50 277 240 A 57 GLU HBx A 57 GLU HGx 1.0 . 2.79 278 240 A 57 GLU HGy A 57 GLU HBx 1.0 . 2.79 279 241 A 57 GLU H A 57 GLU HGx 1.0 . 3.42 280 241 A 57 GLU HGy A 57 GLU H 1.0 . 3.42 281 242 A 57 GLU HA A 57 GLU HGx 1.0 . 3.31 282 242 A 57 GLU HGy A 57 GLU HA 1.0 . 3.31 283 243 A 44 THR HB A 46 GLU HGx 1.0 . 3.46 284 244 A 46 GLU H A 46 GLU HGy 1.0 . 3.83 285 245 A 46 GLU HGy A 46 GLU HA 1.0 . 3.76 286 246 A 46 GLU HGy A 44 THR HG2% 1.0 . 5.49 287 247 A 46 GLU H A 46 GLU HGx 1.0 . 3.88 288 248 A 14 GLU HGy A 66 LEU H 1.0 . 5.17 289 249 A 15 VAL H A 14 GLU HGy 1.0 . 3.86 290 250 A 14 GLU HGx A 100 TYR HE% 1.0 . 4.68 291 250 A 14 GLU HGx A 100 TYR HD% 1.0 . 4.68 292 251 A 14 GLU HGx A 67 SER HA 1.0 . 5.25 293 252 A 14 GLU HA A 14 GLU HGx 1.0 . 4.16 294 253 A 109 LYS HBy A 109 LYS HEx 1.0 . 4.68 295 254 A 63 LYS HBx A 63 LYS HEx 1.0 . 4.72 296 254 A 63 LYS HBx A 63 LYS HEy 1.0 . 4.72 297 255 A 100 TYR HE% A 105 GLU HGx 1.0 . 4.96 298 255 A 105 GLU HGy A 100 TYR HD% 1.0 . 4.96 299 255 A 100 TYR HD% A 105 GLU HGx 1.0 . 4.96 300 255 A 105 GLU HGy A 100 TYR HE% 1.0 . 4.96 301 256 A 82 VAL H A 81 VAL HB 1.0 . 3.87 302 257 A 81 VAL H A 81 VAL HB 1.0 . 3.96 303 258 A 26 PHE HD% A 81 VAL HB 1.0 . 4.88 304 259 A 81 VAL HB A 26 PHE HBx 1.0 . 4.29 305 260 A 15 VAL H A 14 GLU HGx 1.0 . 3.74 306 261 A 109 LYS HBy A 110 SER H 1.0 . 3.94 307 262 A 88 VAL H A 88 VAL HB 1.0 . 3.52 308 263 A 18 GLU HA A 63 LYS HBx 1.0 . 4.90 309 264 A 109 LYS H A 109 LYS HBx 1.0 . 3.51 310 265 A 109 LYS HEx A 109 LYS HBx 1.0 . 5.13 311 266 A 106 ILE H A 105 GLU HGx 1.0 . 3.65 312 266 A 106 ILE H A 105 GLU HGy 1.0 . 3.65 313 267 A 98 THR HG2% A 105 GLU HGx 1.0 . 3.58 314 267 A 105 GLU HGy A 98 THR HG2% 1.0 . 3.58 315 268 A 75 PHE HD% A 15 VAL HB 1.0 . 3.39 316 269 A 77 VAL HB A 126 LEU HDx% 1.0 . 3.66 317 270 A 64 VAL HB A 65 THR H 1.0 . 4.57 318 271 A 64 VAL H A 64 VAL HB 1.0 . 3.30 319 272 A 64 VAL HB A 17 ILE HG2% 1.0 . 4.29 320 273 A 95 TRP HE1 A 19 GLN HGx 1.0 . 4.31 321 273 A 19 GLN HGy A 95 TRP HE1 1.0 . 4.31 322 274 A 38 GLN HGy A 69 THR HG2% 1.0 . 5.31 323 275 A 38 GLN HGy A 50 SER H 1.0 . 4.57 324 276 A 69 THR HG2% A 38 GLN HGx 1.0 . 5.37 325 277 A 38 GLN HGx A 38 GLN H 1.0 . 3.92 326 278 A 76 ALA HA A 77 VAL HB 1.0 . 5.25 327 279 A 95 TRP HD1 A 19 GLN HGx 1.0 . 4.00 328 279 A 19 GLN HGy A 95 TRP HD1 1.0 . 4.00 329 280 A 39 LEU H A 38 GLN HGy 1.0 . 4.19 330 281 A 38 GLN HGy A 38 GLN HA 1.0 . 3.50 331 282 A 38 GLN HGy A 49 ALA HA 1.0 . 3.84 332 283 A 38 GLN HGy A 49 ALA HB% 1.0 . 5.27 333 284 A 39 LEU H A 38 GLN HGx 1.0 . 4.18 334 285 A 50 SER H A 38 GLN HGx 1.0 . 4.68 335 286 A 38 GLN HGx A 49 ALA HB% 1.0 . 5.27 336 287 A 77 VAL HB A 78 SER H 1.0 . 4.71 337 288 A 111 LEU HBy A 95 TRP HBy 1.0 . 4.04 338 289 A 95 TRP HBy A 97 VAL HGx% 1.0 . 4.47 339 289 A 95 TRP HBy A 97 VAL HGy% 1.0 . 4.47 340 290 A 111 LEU HBy A 95 TRP HBx 1.0 . 4.28 341 291 A 95 TRP HBx A 111 LEU H 1.0 . 5.00 342 292 A 33 VAL H A 33 VAL HB 1.0 . 3.23 343 293 A 51 PRO HBx A 52 VAL H 1.0 . 3.71 344 294 A 95 TRP HBy A 96 VAL H 1.0 . 5.05 345 295 A 85 GLU HA A 85 GLU HGy 1.0 . 4.05 346 296 A 88 VAL HGx% A 85 GLU HGy 1.0 . 5.09 347 297 A 94 GLN HE2y A 94 GLN HGx 1.0 . 4.02 348 297 A 94 GLN HGy A 94 GLN HE2y 1.0 . 4.02 349 298 A 111 LEU H A 94 GLN HGx 1.0 . 4.78 350 298 A 111 LEU H A 94 GLN HGy 1.0 . 4.78 351 299 A 95 TRP H A 94 GLN HGx 1.0 . 3.97 352 299 A 95 TRP H A 94 GLN HGy 1.0 . 3.97 353 300 A 94 GLN H A 94 GLN HGx 1.0 . 5.28 354 300 A 94 GLN H A 94 GLN HGy 1.0 . 5.28 355 301 A 104 LYS HBy A 104 LYS HEx 1.0 . 5.30 356 301 A 104 LYS HEy A 104 LYS HBy 1.0 . 5.30 357 302 A 35 ASN HBx A 74 GLU HBy 1.0 . 4.06 358 303 A 35 ASN H A 74 GLU HBx 1.0 . 4.57 359 304 A 74 GLU HBx A 74 GLU H 1.0 . 3.97 360 305 A 128 TYR HE% A 99 VAL HB 1.0 . 4.87 361 306 A 40 LYS HBx A 67 SER H 1.0 . 4.72 362 307 A 40 LYS HBx A 40 LYS HEx 1.0 . 4.80 363 307 A 40 LYS HEy A 40 LYS HBx 1.0 . 4.80 364 308 A 41 ASP H A 40 LYS HBx 1.0 . 4.27 365 309 A 74 GLU HBx A 75 PHE H 1.0 . 4.22 366 310 A 99 VAL HB A 99 VAL H 1.0 . 3.48 367 311 A 108 LYS H A 108 LYS HBy 1.0 . 3.75 368 312 A 67 SER H A 40 LYS HBy 1.0 . 4.23 369 313 A 108 LYS H A 108 LYS HBx 1.0 . 3.95 370 314 A 107 GLU H A 99 VAL HB 1.0 . 4.44 371 315 A 108 LYS HBx A 107 GLU HA 1.0 . 5.05 372 316 A 28 LYS HBy A 95 TRP HZ2 1.0 . 5.09 373 317 A 31 VAL H A 31 VAL HB 1.0 . 3.31 374 318 A 31 VAL HB A 78 SER HBx 1.0 . 4.06 375 318 A 31 VAL HB A 78 SER HBy 1.0 . 4.06 376 319 A 28 LYS HBx A 29 SER H 1.0 . 4.84 377 320 A 95 TRP HZ2 A 28 LYS HBx 1.0 . 4.18 378 321 A 28 LYS HBy A 81 VAL HGy% 1.0 . 5.38 379 322 A 112 VAL H A 112 VAL HB 1.0 . 3.21 380 323 A 112 VAL HB A 111 LEU HA 1.0 . 4.70 381 324 A 100 TYR HBy A 14 GLU HBy 1.0 . 4.00 382 325 A 14 GLU HBx A 100 TYR HE% 1.0 . 4.19 383 325 A 14 GLU HBx A 100 TYR HD% 1.0 . 4.19 384 326 A 32 VAL H A 32 VAL HB 1.0 . 3.31 385 327 A 114 ARG HBx A 114 ARG HDx 1.0 . 3.81 386 327 A 114 ARG HDy A 114 ARG HBx 1.0 . 3.81 387 328 A 62 GLU H A 61 VAL HB 1.0 . 3.06 388 329 A 63 LYS H A 61 VAL HB 1.0 . 3.60 389 330 A 61 VAL HB A 61 VAL H 1.0 . 4.02 390 331 A 9 LYS H A 9 LYS HBy 1.0 . 3.67 391 332 A 108 LYS H A 107 GLU HBy 1.0 . 5.04 392 333 A 107 GLU HBy A 99 VAL HGy% 1.0 . 5.07 393 334 A 107 GLU HBy A 106 ILE HG1x 1.0 . 5.10 394 335 A 52 VAL H A 52 VAL HB 1.0 . 3.14 395 336 A 52 VAL HB A 51 PRO HA 1.0 . 4.77 396 337 A 107 GLU H A 107 GLU HBx 1.0 . 4.16 397 338 A 17 ILE HA A 97 VAL HB 1.0 . 4.69 398 339 A 72 ALA H A 71 LYS HBy 1.0 . 4.64 399 340 A 71 LYS HEy A 71 LYS HBy 1.0 . 4.89 400 341 A 72 ALA H A 71 LYS HBx 1.0 . 4.29 401 342 A 71 LYS HBx A 71 LYS HDx 1.0 . 3.46 402 342 A 71 LYS HBx A 71 LYS HDy 1.0 . 3.46 403 343 A 71 LYS HEy A 71 LYS HBx 1.0 . 4.36 404 344 A 71 LYS HBx A 73 ILE HD1% 1.0 . 4.13 405 345 A 118 GLU H A 117 LYS HBy 1.0 . 5.23 406 346 A 94 GLN HE2y A 94 GLN HBy 1.0 . 5.09 407 347 A 95 TRP H A 94 GLN HBy 1.0 . 4.06 408 348 A 117 LYS H A 117 LYS HBx 1.0 . 3.70 409 349 A 95 TRP H A 94 GLN HBx 1.0 . 4.08 410 350 A 94 GLN H A 94 GLN HBx 1.0 . 4.12 411 351 A 18 GLU H A 18 GLU HBy 1.0 . 3.77 412 352 A 12 MET H A 12 MET HBy 1.0 . 3.98 413 353 A 19 GLN H A 18 GLU HBx 1.0 . 5.04 414 354 A 94 GLN HE2y A 94 GLN HBx 1.0 . 5.13 415 355 A 12 MET HBx A 13 TYR H 1.0 . 4.70 416 356 A 19 GLN H A 18 GLU HBy 1.0 . 4.11 417 357 A 19 GLN HE2x A 19 GLN HBy 1.0 . 4.88 418 358 A 19 GLN HBy A 20 SER HA 1.0 . 4.72 419 359 A 19 GLN HBx A 20 SER H 1.0 . 4.66 420 360 A 13 TYR H A 12 MET HGy 1.0 . 4.60 421 361 A 12 MET H A 12 MET HGy 1.0 . 3.75 422 362 A 12 MET HGy A 12 MET HA 1.0 . 4.07 423 363 A 12 MET HGy A 102 ASN HA 1.0 . 4.80 424 364 A 12 MET HA A 12 MET HGx 1.0 . 3.91 425 365 A 12 MET H A 12 MET HGx 1.0 . 3.80 426 366 A 102 ASN HA A 12 MET HGx 1.0 . 5.40 427 367 A 12 MET HGy A 71 LYS HA 1.0 . 4.98 428 368 A 12 MET HGy A 71 LYS HGx 1.0 . 5.34 429 368 A 12 MET HGy A 71 LYS HGy 1.0 . 5.34 430 369 A 118 GLU HBy A 119 ILE HG2% 1.0 . 5.20 431 370 A 118 GLU H A 118 GLU HBx 1.0 . 3.62 432 371 A 118 GLU H A 118 GLU HBy 1.0 . 3.98 433 372 A 47 SER HBx A 38 GLN HBx 1.0 . 4.54 434 372 A 38 GLN HBy A 47 SER HBx 1.0 . 4.54 435 373 A 81 VAL HGx% A 93 MET HGy 1.0 . 5.46 436 374 A 93 MET HGx A 93 MET H 1.0 . 4.32 437 375 A 93 MET HGx A 26 PHE HE% 1.0 . 5.43 438 376 A 41 ASP HBy A 46 GLU HBy 1.0 . 4.70 439 377 A 41 ASP HBy A 46 GLU HBx 1.0 . 4.51 440 378 A 48 LEU HDy% A 46 GLU HBx 1.0 . 4.23 441 379 A 62 GLU H A 62 GLU HBx 1.0 . 3.10 442 379 A 62 GLU H A 62 GLU HBy 1.0 . 3.10 443 380 A 63 LYS H A 62 GLU HBx 1.0 . 3.61 444 380 A 63 LYS H A 62 GLU HBy 1.0 . 3.61 445 381 A 62 GLU HGx A 62 GLU HBx 1.0 . 2.94 446 381 A 62 GLU HGx A 62 GLU HBy 1.0 . 2.94 447 382 A 19 GLN H A 62 GLU HBx 1.0 . 4.51 448 382 A 19 GLN H A 62 GLU HBy 1.0 . 4.51 449 383 A 88 VAL HGx% A 85 GLU HBy 1.0 . 4.30 450 384 A 85 GLU HBx A 85 GLU H 1.0 . 4.11 451 385 A 85 GLU HBx A 88 VAL H 1.0 . 4.58 452 386 A 88 VAL HGx% A 85 GLU HBx 1.0 . 4.02 453 387 A 54 LEU HBx A 58 GLU HBy 1.0 . 4.56 454 388 A 54 LEU HDx% A 58 GLU HBy 1.0 . 4.18 455 389 A 58 GLU HBy A 59 LEU HA 1.0 . 5.05 456 390 A 54 LEU HA A 58 GLU HBy 1.0 . 4.59 457 391 A 54 LEU HBx A 58 GLU HBx 1.0 . 4.33 458 392 A 58 GLU H A 58 GLU HBx 1.0 . 3.66 459 393 A 54 LEU HDx% A 58 GLU HBx 1.0 . 4.02 460 394 A 55 SER H A 58 GLU HBx 1.0 . 4.47 461 395 A 54 LEU HA A 58 GLU HBx 1.0 . 5.08 462 396 A 63 LYS HBx A 62 GLU HBx 1.0 . 4.82 463 396 A 63 LYS HBx A 62 GLU HBy 1.0 . 4.82 464 397 A 89 VAL H A 89 VAL HB 1.0 . 3.18 465 398 A 100 TYR HA A 105 GLU HBy 1.0 . 4.84 466 399 A 105 GLU HBy A 100 TYR HE% 1.0 . 4.14 467 399 A 105 GLU HBy A 100 TYR HD% 1.0 . 4.14 468 400 A 105 GLU HBy A 105 GLU H 1.0 . 3.26 469 401 A 105 GLU H A 105 GLU HBx 1.0 . 3.30 470 402 A 105 GLU HBx A 100 TYR HE% 1.0 . 4.36 471 402 A 105 GLU HBx A 100 TYR HD% 1.0 . 4.36 472 403 A 98 THR HG2% A 105 GLU HBx 1.0 . 4.88 473 404 A 107 GLU H A 105 GLU HBx 1.0 . 5.02 474 405 A 18 GLU HGx A 63 LYS HDx 1.0 . 3.99 475 405 A 18 GLU HGx A 63 LYS HDy 1.0 . 3.99 476 406 A 16 THR HB A 65 THR HA 1.0 . 5.24 477 407 A 17 ILE H A 16 THR HB 1.0 . 3.75 478 408 A 16 THR HB A 63 LYS HEx 1.0 . 4.53 479 408 A 16 THR HB A 63 LYS HEy 1.0 . 4.53 480 409 A 18 GLU HGy A 16 THR HB 1.0 . 4.79 481 410 A 65 THR H A 65 THR HB 1.0 . 3.09 482 411 A 65 THR HB A 64 VAL HGx% 1.0 . 5.22 483 411 A 65 THR HB A 64 VAL HGy% 1.0 . 5.22 484 412 A 63 LYS H A 63 LYS HDx 1.0 . 4.79 485 412 A 63 LYS H A 63 LYS HDy 1.0 . 4.79 486 413 A 63 LYS HA A 63 LYS HDx 1.0 . 4.37 487 413 A 63 LYS HA A 63 LYS HDy 1.0 . 4.37 488 414 A 40 LYS HA A 40 LYS HDx 1.0 . 4.61 489 414 A 40 LYS HA A 40 LYS HDy 1.0 . 4.61 490 415 A 45 GLY HAx A 40 LYS HDx 1.0 . 4.68 491 415 A 45 GLY HAx A 40 LYS HDy 1.0 . 4.68 492 416 A 10 GLY H A 71 LYS HDx 1.0 . 4.32 493 416 A 71 LYS HDy A 10 GLY H 1.0 . 4.32 494 417 A 72 ALA H A 71 LYS HDx 1.0 . 5.10 495 417 A 72 ALA H A 71 LYS HDy 1.0 . 5.10 496 418 A 73 ILE HD1% A 71 LYS HDx 1.0 . 3.74 497 418 A 71 LYS HDy A 73 ILE HD1% 1.0 . 3.74 498 419 A 91 GLU HBx A 92 PRO HDx 1.0 . 4.66 499 420 A 57 GLU HBx A 57 GLU H 1.0 . 3.54 500 421 A 58 GLU H A 57 GLU HBx 1.0 . 3.60 501 422 A 57 GLU HBx A 58 GLU HA 1.0 . 4.74 502 423 A 114 ARG HGy A 112 VAL HGx% 1.0 . 3.89 503 423 A 112 VAL HGy% A 114 ARG HGy 1.0 . 3.89 504 424 A 114 ARG HBx A 114 ARG HGx 1.0 . 2.56 505 425 A 23 PHE HE% A 24 ARG HGx 1.0 . 5.02 506 426 A 22 ASP HBy A 91 GLU HBy 1.0 . 4.98 507 427 A 91 GLU H A 91 GLU HBy 1.0 . 4.07 508 428 A 58 GLU HA A 57 GLU HBy 1.0 . 5.05 509 429 A 91 GLU H A 91 GLU HBx 1.0 . 3.61 510 430 A 24 ARG HBy A 24 ARG H 1.0 . 3.93 511 431 A 110 SER H A 109 LYS HDx 1.0 . 4.13 512 431 A 110 SER H A 109 LYS HDy 1.0 . 4.13 513 432 A 109 LYS H A 109 LYS HDx 1.0 . 4.77 514 432 A 109 LYS H A 109 LYS HDy 1.0 . 4.77 515 433 A 104 LYS H A 104 LYS HDx 1.0 . 4.58 516 433 A 104 LYS HDy A 104 LYS H 1.0 . 4.58 517 434 A 104 LYS HA A 104 LYS HDx 1.0 . 3.83 518 434 A 104 LYS HDy A 104 LYS HA 1.0 . 3.83 519 435 A 104 LYS HGy A 104 LYS HDx 1.0 . 2.65 520 435 A 104 LYS HDy A 104 LYS HGy 1.0 . 2.65 521 436 A 105 GLU H A 104 LYS HDx 1.0 . 4.45 522 436 A 104 LYS HDy A 105 GLU H 1.0 . 4.45 523 437 A 114 ARG H A 114 ARG HGy 1.0 . 4.49 524 438 A 115 ASP H A 114 ARG HGx 1.0 . 4.88 525 439 A 114 ARG H A 114 ARG HGx 1.0 . 5.15 526 440 A 24 ARG H A 24 ARG HGy 1.0 . 4.15 527 441 A 119 ILE HA A 119 ILE HG1x 1.0 . 4.15 528 442 A 119 ILE HA A 119 ILE HG1y 1.0 . 3.86 529 443 A 118 GLU HA A 119 ILE HG1x 1.0 . 5.19 530 444 A 119 ILE HG2% A 119 ILE HG1x 1.0 . 3.70 531 445 A 40 LYS H A 39 LEU HG 1.0 . 4.84 532 446 A 39 LEU H A 39 LEU HG 1.0 . 4.43 533 447 A 118 GLU H A 117 LYS HDy 1.0 . 4.11 534 448 A 39 LEU HG A 32 VAL HGx% 1.0 . 4.92 535 449 A 114 ARG HA A 92 PRO HBx 1.0 . 4.54 536 449 A 114 ARG HA A 92 PRO HBy 1.0 . 4.54 537 450 A 92 PRO HBy A 114 ARG HDx 1.0 . 4.97 538 450 A 92 PRO HBx A 114 ARG HDx 1.0 . 4.97 539 450 A 114 ARG HDy A 92 PRO HBx 1.0 . 4.97 540 450 A 114 ARG HDy A 92 PRO HBy 1.0 . 4.97 541 451 A 114 ARG HGx A 92 PRO HBx 1.0 . 4.54 542 451 A 114 ARG HGx A 92 PRO HBy 1.0 . 4.54 543 452 A 92 PRO HBy A 112 VAL HGx% 1.0 . 4.32 544 452 A 92 PRO HBx A 112 VAL HGx% 1.0 . 4.32 545 452 A 112 VAL HGy% A 92 PRO HBx 1.0 . 4.32 546 452 A 112 VAL HGy% A 92 PRO HBy 1.0 . 4.32 547 453 A 91 GLU HA A 92 PRO HBx 1.0 . 4.63 548 453 A 91 GLU HA A 92 PRO HBy 1.0 . 4.63 549 454 A 53 ILE HA A 53 ILE HG1y 1.0 . 3.70 550 455 A 53 ILE H A 53 ILE HG1y 1.0 . 3.70 551 456 A 53 ILE H A 53 ILE HG1x 1.0 . 4.16 552 457 A 53 ILE HG1x A 31 VAL HA 1.0 . 4.68 553 458 A 53 ILE HA A 53 ILE HG1x 1.0 . 3.76 554 459 A 17 ILE H A 17 ILE HG1x 1.0 . 4.86 555 459 A 17 ILE H A 17 ILE HG1y 1.0 . 4.86 556 460 A 17 ILE HA A 17 ILE HG1x 1.0 . 3.90 557 460 A 17 ILE HA A 17 ILE HG1y 1.0 . 3.90 558 461 A 17 ILE HG2% A 17 ILE HG1x 1.0 . 3.68 559 461 A 17 ILE HG2% A 17 ILE HG1y 1.0 . 3.68 560 462 A 67 SER H A 66 LEU HG 1.0 . 5.04 561 463 A 66 LEU HG A 66 LEU HA 1.0 . 3.71 562 464 A 66 LEU H A 66 LEU HG 1.0 . 5.06 563 465 A 41 ASP HA A 66 LEU HG 1.0 . 4.71 564 466 A 98 THR HB A 100 TYR HE% 1.0 . 4.15 565 466 A 98 THR HB A 100 TYR HD% 1.0 . 4.15 566 467 A 73 ILE H A 73 ILE HG1y 1.0 . 3.64 567 468 A 35 ASN HBy A 73 ILE HG1y 1.0 . 4.02 568 469 A 35 ASN HBy A 73 ILE HG1x 1.0 . 4.16 569 470 A 72 ALA HA A 73 ILE HG1x 1.0 . 5.01 570 471 A 36 GLY HAy A 73 ILE HG1x 1.0 . 5.37 571 472 A 73 ILE HG1x A 73 ILE HA 1.0 . 4.16 572 473 A 111 LEU HDy% A 111 LEU H 1.0 . 4.06 573 474 A 111 LEU HDy% A 110 SER HA 1.0 . 5.00 574 475 A 111 LEU HDy% A 123 ASP HA 1.0 . 4.01 575 476 A 95 TRP HBy A 111 LEU HDy% 1.0 . 4.21 576 477 A 68 THR HB A 69 THR HA 1.0 . 4.58 577 478 A 121 THR H A 121 THR HB 1.0 . 4.00 578 479 A 98 THR HB A 16 THR H 1.0 . 4.36 579 480 A 26 PHE HA A 27 ILE HG1y 1.0 . 4.05 580 481 A 111 LEU HDy% A 112 VAL H 1.0 . 5.29 581 482 A 111 LEU HDy% A 95 TRP HE3 1.0 . 3.78 582 483 A 111 LEU HDy% A 113 PHE HD% 1.0 . 4.58 583 484 A 68 THR HB A 69 THR H 1.0 . 4.87 584 485 A 41 ASP H A 48 LEU HG 1.0 . 4.85 585 486 A 48 LEU HG A 48 LEU HA 1.0 . 3.84 586 487 A 30 VAL H A 30 VAL HGx% 1.0 . 4.18 587 488 A 59 LEU HBy A 59 LEU HDy% 1.0 . 3.46 588 489 A 66 LEU HDx% A 17 ILE H 1.0 . 4.97 589 490 A 66 LEU HDx% A 66 LEU H 1.0 . 4.35 590 491 A 66 LEU HDx% A 67 SER H 1.0 . 4.70 591 492 A 66 LEU HDx% A 66 LEU HA 1.0 . 4.30 592 493 A 41 ASP HA A 66 LEU HDx% 1.0 . 4.73 593 494 A 59 LEU HDy% A 59 LEU H 1.0 . 4.00 594 495 A 59 LEU HBx A 59 LEU HDy% 1.0 . 3.19 595 496 A 59 LEU HA A 59 LEU HG 1.0 . 4.01 596 497 A 54 LEU HA A 54 LEU HG 1.0 . 3.97 597 498 A 66 LEU HDx% A 66 LEU HBx 1.0 . 3.56 598 499 A 66 LEU HDx% A 17 ILE HG2% 1.0 . 4.96 599 500 A 124 LEU HA A 124 LEU HDx% 1.0 . 3.93 600 501 A 124 LEU HBy A 124 LEU HDx% 1.0 . 3.33 601 502 A 124 LEU HBx A 124 LEU HDx% 1.0 . 3.02 602 503 A 59 LEU H A 59 LEU HG 1.0 . 3.87 603 504 A 124 LEU HDx% A 79 GLY H 1.0 . 4.62 604 505 A 95 TRP HE3 A 124 LEU HDx% 1.0 . 4.24 605 506 A 128 TYR HE% A 106 ILE HG1y 1.0 . 5.33 606 507 A 106 ILE H A 106 ILE HG1y 1.0 . 3.88 607 508 A 107 GLU H A 106 ILE HG1y 1.0 . 4.14 608 509 A 107 GLU HBy A 106 ILE HG1y 1.0 . 4.47 609 510 A 48 LEU H A 48 LEU HDx% 1.0 . 3.84 610 511 A 41 ASP H A 48 LEU HDx% 1.0 . 4.24 611 512 A 48 LEU HDx% A 49 ALA H 1.0 . 4.81 612 513 A 48 LEU HA A 48 LEU HDx% 1.0 . 4.25 613 514 A 41 ASP HBy A 48 LEU HDx% 1.0 . 4.16 614 515 A 41 ASP HBx A 48 LEU HDx% 1.0 . 3.64 615 516 A 48 LEU HDx% A 48 LEU HBx 1.0 . 2.61 616 516 A 48 LEU HBy A 48 LEU HDx% 1.0 . 2.61 617 517 A 106 ILE H A 106 ILE HG1x 1.0 . 3.67 618 518 A 124 LEU HDx% A 17 ILE HD1% 1.0 . 5.50 619 519 A 116 GLY HAy A 117 LYS HGx 1.0 . 4.57 620 520 A 54 LEU H A 54 LEU HDy% 1.0 . 4.27 621 521 A 30 VAL H A 54 LEU HDy% 1.0 . 5.01 622 522 A 54 LEU HA A 54 LEU HDy% 1.0 . 4.24 623 523 A 54 LEU HBy A 54 LEU HDy% 1.0 . 3.37 624 524 A 30 VAL HB A 54 LEU HDy% 1.0 . 3.29 625 525 A 54 LEU HBx A 54 LEU HDy% 1.0 . 3.45 626 526 A 63 LYS H A 63 LYS HGx 1.0 . 4.77 627 526 A 63 LYS HGy A 63 LYS H 1.0 . 4.77 628 527 A 40 LYS H A 39 LEU HDx% 1.0 . 3.85 629 528 A 39 LEU HDx% A 67 SER H 1.0 . 4.37 630 529 A 39 LEU HDx% A 39 LEU HA 1.0 . 3.11 631 530 A 39 LEU HDx% A 50 SER HBy 1.0 . 4.22 632 531 A 39 LEU HDx% A 50 SER HBx 1.0 . 3.67 633 532 A 39 LEU HDx% A 39 LEU HBx 1.0 . 2.55 634 533 A 58 GLU HGy A 54 LEU HDy% 1.0 . 5.50 635 534 A 63 LYS HEy A 63 LYS HGx 1.0 . 3.87 636 534 A 63 LYS HEx A 63 LYS HGx 1.0 . 3.87 637 534 A 63 LYS HGy A 63 LYS HEx 1.0 . 3.87 638 534 A 63 LYS HGy A 63 LYS HEy 1.0 . 3.87 639 535 A 18 GLU HGx A 63 LYS HGx 1.0 . 4.07 640 535 A 63 LYS HGy A 18 GLU HGx 1.0 . 4.07 641 536 A 18 GLU HA A 63 LYS HGx 1.0 . 4.60 642 536 A 63 LYS HGy A 18 GLU HA 1.0 . 4.60 643 537 A 16 THR HB A 63 LYS HGx 1.0 . 4.72 644 537 A 63 LYS HGy A 16 THR HB 1.0 . 4.72 645 538 A 126 LEU H A 126 LEU HDx% 1.0 . 4.33 646 539 A 109 LYS HEy A 126 LEU HDx% 1.0 . 5.12 647 540 A 77 VAL H A 126 LEU HDx% 1.0 . 4.92 648 541 A 102 ASN HD2y A 101 LYS HDy 1.0 . 4.91 649 542 A 101 LYS HDy A 102 ASN H 1.0 . 5.08 650 543 A 101 LYS HDy A 101 LYS HA 1.0 . 4.54 651 544 A 101 LYS H A 101 LYS HDy 1.0 . 5.28 652 545 A 102 ASN HD2y A 101 LYS HDx 1.0 . 5.25 653 546 A 101 LYS HDx A 101 LYS HA 1.0 . 4.15 654 547 A 111 LEU HDx% A 111 LEU H 1.0 . 4.62 655 548 A 111 LEU HDx% A 112 VAL H 1.0 . 4.00 656 549 A 111 LEU HDx% A 95 TRP HE3 1.0 . 4.90 657 550 A 111 LEU HDx% A 109 LYS HA 1.0 . 5.44 658 551 A 111 LEU HDx% A 111 LEU HA 1.0 . 3.20 659 552 A 111 LEU HDx% A 109 LYS HEx 1.0 . 3.98 660 553 A 123 ASP HBx A 111 LEU HDx% 1.0 . 4.36 661 554 A 111 LEU HDx% A 109 LYS HDx 1.0 . 3.83 662 554 A 111 LEU HDx% A 109 LYS HDy 1.0 . 3.83 663 555 A 109 LYS HBx A 109 LYS HGx 1.0 . 2.62 664 555 A 109 LYS HGy A 109 LYS HBx 1.0 . 2.62 665 556 A 51 PRO HGy A 33 VAL HGx% 1.0 . 4.35 666 556 A 33 VAL HGy% A 51 PRO HGy 1.0 . 4.35 667 557 A 52 VAL HA A 51 PRO HGx 1.0 . 5.21 668 558 A 51 PRO HGx A 33 VAL HGx% 1.0 . 4.05 669 558 A 33 VAL HGy% A 51 PRO HGx 1.0 . 4.05 670 559 A 109 LYS H A 109 LYS HGx 1.0 . 4.36 671 559 A 109 LYS HGy A 109 LYS H 1.0 . 4.36 672 560 A 104 LYS HGy A 105 GLU H 1.0 . 4.90 673 561 A 109 LYS HGx A 126 LEU HDy% 1.0 . 3.88 674 561 A 109 LYS HGy A 126 LEU HDy% 1.0 . 3.88 675 562 A 110 SER H A 109 LYS HGx 1.0 . 4.26 676 562 A 109 LYS HGy A 110 SER H 1.0 . 4.26 677 563 A 109 LYS HA A 109 LYS HGx 1.0 . 3.71 678 563 A 109 LYS HGy A 109 LYS HA 1.0 . 3.71 679 564 A 104 LYS HGy A 104 LYS HA 1.0 . 3.97 680 565 A 104 LYS HA A 104 LYS HGx 1.0 . 3.99 681 566 A 105 GLU H A 104 LYS HGx 1.0 . 4.39 682 567 A 104 LYS H A 104 LYS HGx 1.0 . 4.38 683 568 A 52 VAL H A 51 PRO HGx 1.0 . 4.81 684 569 A 40 LYS HGy A 45 GLY H 1.0 . 5.36 685 570 A 40 LYS HGx A 41 ASP HBy 1.0 . 5.21 686 571 A 40 LYS H A 39 LEU HDy% 1.0 . 4.30 687 572 A 52 VAL H A 52 VAL HGy% 1.0 . 3.52 688 573 A 53 ILE H A 52 VAL HGy% 1.0 . 3.83 689 574 A 49 ALA H A 52 VAL HGy% 1.0 . 5.21 690 575 A 52 VAL HGy% A 50 SER HA 1.0 . 4.26 691 576 A 52 VAL HA A 52 VAL HGy% 1.0 . 3.15 692 577 A 42 GLY H A 66 LEU HDy% 1.0 . 3.67 693 578 A 41 ASP H A 66 LEU HDy% 1.0 . 4.44 694 579 A 67 SER H A 66 LEU HDy% 1.0 . 3.71 695 580 A 66 LEU HA A 66 LEU HDy% 1.0 . 3.09 696 581 A 41 ASP HA A 66 LEU HDy% 1.0 . 3.08 697 582 A 66 LEU HDy% A 42 GLY HAy 1.0 . 5.45 698 583 A 41 ASP HBy A 66 LEU HDy% 1.0 . 4.46 699 584 A 66 LEU HBx A 66 LEU HDy% 1.0 . 3.14 700 585 A 77 VAL H A 78 SER HBx 1.0 . 5.05 701 585 A 77 VAL H A 78 SER HBy 1.0 . 5.05 702 586 A 40 LYS H A 40 LYS HGy 1.0 . 5.34 703 587 A 40 LYS HGy A 40 LYS HA 1.0 . 3.86 704 588 A 40 LYS HGy A 41 ASP H 1.0 . 3.95 705 589 A 40 LYS HGy A 45 GLY HAx 1.0 . 4.78 706 590 A 40 LYS HGx A 41 ASP H 1.0 . 4.08 707 591 A 39 LEU HA A 39 LEU HDy% 1.0 . 4.21 708 592 A 78 SER H A 78 SER HBx 1.0 . 3.87 709 592 A 78 SER H A 78 SER HBy 1.0 . 3.87 710 593 A 68 THR H A 68 THR HG2% 1.0 . 3.28 711 594 A 69 THR H A 68 THR HG2% 1.0 . 4.35 712 595 A 13 TYR H A 68 THR HG2% 1.0 . 4.41 713 596 A 68 THR HG2% A 70 GLY H 1.0 . 4.70 714 597 A 67 SER HA A 68 THR HG2% 1.0 . 4.24 715 598 A 68 THR HG2% A 72 ALA HB% 1.0 . 3.35 716 599 A 68 THR HG2% A 37 THR HG2% 1.0 . 3.99 717 600 A 124 LEU HDy% A 124 LEU H 1.0 . 5.05 718 601 A 124 LEU HDy% A 95 TRP HE3 1.0 . 4.74 719 602 A 125 ASN H A 124 LEU HDy% 1.0 . 3.63 720 603 A 124 LEU HDy% A 124 LEU HA 1.0 . 3.19 721 604 A 101 LYS H A 101 LYS HGy 1.0 . 4.35 722 605 A 101 LYS HGy A 101 LYS HA 1.0 . 3.78 723 606 A 20 SER HBy A 21 GLY H 1.0 . 3.54 724 607 A 21 GLY H A 20 SER HBx 1.0 . 3.67 725 608 A 15 VAL H A 67 SER HBy 1.0 . 4.50 726 609 A 68 THR H A 67 SER HBy 1.0 . 3.89 727 610 A 40 LYS H A 67 SER HBx 1.0 . 4.54 728 611 A 48 LEU HDy% A 47 SER H 1.0 . 4.99 729 612 A 14 GLU HA A 67 SER HBy 1.0 . 4.65 730 613 A 14 GLU HBy A 67 SER HBy 1.0 . 4.08 731 614 A 65 THR HG2% A 67 SER HBy 1.0 . 5.00 732 615 A 14 GLU HGy A 67 SER HBy 1.0 . 4.17 733 616 A 14 GLU HA A 67 SER HBx 1.0 . 4.48 734 617 A 14 GLU HGy A 67 SER HBx 1.0 . 4.49 735 618 A 14 GLU HBy A 67 SER HBx 1.0 . 4.10 736 619 A 80 GLY H A 29 SER HBx 1.0 . 4.95 737 619 A 29 SER HBy A 80 GLY H 1.0 . 4.95 738 620 A 29 SER H A 29 SER HBx 1.0 . 3.69 739 620 A 29 SER H A 29 SER HBy 1.0 . 3.69 740 621 A 48 LEU H A 48 LEU HDy% 1.0 . 3.87 741 622 A 48 LEU HDy% A 49 ALA H 1.0 . 3.67 742 623 A 48 LEU HDy% A 48 LEU HA 1.0 . 2.82 743 624 A 48 LEU HDy% A 46 GLU HA 1.0 . 5.44 744 625 A 48 LEU HDy% A 46 GLU HGx 1.0 . 4.45 745 626 A 54 LEU H A 54 LEU HDx% 1.0 . 4.17 746 627 A 55 SER H A 54 LEU HDx% 1.0 . 3.81 747 628 A 53 ILE H A 54 LEU HDx% 1.0 . 4.95 748 629 A 58 GLU H A 54 LEU HDx% 1.0 . 4.92 749 630 A 54 LEU HA A 54 LEU HDx% 1.0 . 3.04 750 631 A 54 LEU HDx% A 58 GLU HA 1.0 . 4.68 751 632 A 58 GLU HGy A 54 LEU HDx% 1.0 . 3.68 752 633 A 54 LEU HDx% A 54 LEU HBy 1.0 . 3.98 753 634 A 67 SER H A 67 SER HBy 1.0 . 3.82 754 635 A 67 SER H A 67 SER HBx 1.0 . 3.69 755 636 A 33 VAL H A 76 ALA HB% 1.0 . 3.71 756 637 A 76 ALA HB% A 76 ALA H 1.0 . 3.29 757 638 A 128 TYR H A 76 ALA HB% 1.0 . 4.31 758 639 A 77 VAL H A 76 ALA HB% 1.0 . 3.33 759 640 A 76 ALA HB% A 127 TYR HD% 1.0 . 3.30 760 641 A 76 ALA HB% A 127 TYR HA 1.0 . 3.66 761 642 A 76 ALA HB% A 33 VAL HA 1.0 . 4.95 762 643 A 127 TYR HBy A 76 ALA HB% 1.0 . 4.29 763 644 A 127 TYR HBx A 76 ALA HB% 1.0 . 4.70 764 645 A 33 VAL HB A 76 ALA HB% 1.0 . 3.01 765 646 A 76 ALA HB% A 33 VAL HGx% 1.0 . 3.42 766 646 A 33 VAL HGy% A 76 ALA HB% 1.0 . 3.42 767 647 A 76 ALA HB% A 78 SER HBx 1.0 . 5.00 768 647 A 78 SER HBy A 76 ALA HB% 1.0 . 5.00 769 648 A 39 LEU H A 69 THR HG2% 1.0 . 4.62 770 649 A 69 THR HG2% A 69 THR H 1.0 . 3.28 771 650 A 69 THR HG2% A 70 GLY H 1.0 . 4.39 772 651 A 69 THR HG2% A 69 THR HA 1.0 . 3.08 773 652 A 69 THR HG2% A 47 SER HBx 1.0 . 3.97 774 653 A 69 THR HG2% A 40 LYS HEx 1.0 . 4.45 775 653 A 40 LYS HEy A 69 THR HG2% 1.0 . 4.45 776 654 A 69 THR HG2% A 38 GLN HBx 1.0 . 3.50 777 654 A 69 THR HG2% A 38 GLN HBy 1.0 . 3.50 778 655 A 69 THR HG2% A 40 LYS HBy 1.0 . 3.84 779 656 A 69 THR HG2% A 40 LYS HBx 1.0 . 3.19 780 657 A 69 THR HG2% A 38 GLN H 1.0 . 4.70 781 658 A 11 ALA HB% A 102 ASN H 1.0 . 4.35 782 659 A 72 ALA H A 11 ALA HB% 1.0 . 4.80 783 660 A 11 ALA HB% A 11 ALA H 1.0 . 3.48 784 661 A 11 ALA HB% A 102 ASN HD2y 1.0 . 3.13 785 662 A 102 ASN HD2x A 11 ALA HB% 1.0 . 3.62 786 663 A 11 ALA HB% A 10 GLY HAx 1.0 . 5.50 787 664 A 11 ALA HB% A 101 LYS HEx 1.0 . 3.28 788 665 A 11 ALA HB% A 101 LYS HGy 1.0 . 4.01 789 666 A 11 ALA HB% A 101 LYS HDx 1.0 . 3.52 790 667 A 120 SER H A 120 SER HBy 1.0 . 3.87 791 668 A 119 ILE H A 120 SER HBx 1.0 . 5.45 792 669 A 120 SER H A 120 SER HBx 1.0 . 3.70 793 670 A 120 SER HBy A 119 ILE HD1% 1.0 . 4.89 794 671 A 32 VAL H A 32 VAL HGx% 1.0 . 4.05 795 672 A 33 VAL H A 32 VAL HGx% 1.0 . 3.47 796 673 A 32 VAL HGx% A 76 ALA H 1.0 . 5.39 797 674 A 32 VAL HGx% A 32 VAL HA 1.0 . 3.23 798 675 A 32 VAL HGx% A 33 VAL HA 1.0 . 5.50 799 676 A 39 LEU HDx% A 32 VAL HGx% 1.0 . 3.12 800 677 A 50 SER H A 50 SER HBx 1.0 . 3.42 801 678 A 15 VAL H A 15 VAL HGx% 1.0 . 5.02 802 679 A 16 THR H A 15 VAL HGx% 1.0 . 3.39 803 680 A 15 VAL HGx% A 98 THR H 1.0 . 4.47 804 681 A 16 THR HA A 15 VAL HGx% 1.0 . 5.30 805 682 A 15 VAL HGx% A 15 VAL HA 1.0 . 3.26 806 683 A 15 VAL HGx% A 99 VAL HA 1.0 . 3.99 807 684 A 27 ILE H A 81 VAL HGy% 1.0 . 5.38 808 685 A 82 VAL H A 81 VAL HGy% 1.0 . 3.89 809 686 A 29 SER H A 81 VAL HGy% 1.0 . 4.46 810 687 A 81 VAL H A 81 VAL HGy% 1.0 . 4.67 811 688 A 26 PHE HD% A 81 VAL HGy% 1.0 . 3.61 812 689 A 81 VAL HGy% A 81 VAL HA 1.0 . 3.41 813 690 A 26 PHE HBy A 81 VAL HGy% 1.0 . 4.07 814 691 A 26 PHE HBx A 81 VAL HGy% 1.0 . 3.72 815 692 A 28 LYS HBx A 81 VAL HGy% 1.0 . 4.61 816 693 A 50 SER HBy A 34 ALA H 1.0 . 4.12 817 694 A 125 ASN H A 126 LEU HDy% 1.0 . 3.78 818 695 A 127 TYR H A 126 LEU HDy% 1.0 . 3.87 819 696 A 128 TYR HE% A 126 LEU HDy% 1.0 . 4.55 820 697 A 126 LEU HA A 126 LEU HDy% 1.0 . 3.02 821 698 A 124 LEU HA A 126 LEU HDy% 1.0 . 5.47 822 699 A 109 LYS HEx A 126 LEU HDy% 1.0 . 3.82 823 700 A 107 GLU HGy A 126 LEU HDy% 1.0 . 3.92 824 700 A 107 GLU HGx A 126 LEU HDy% 1.0 . 3.92 825 701 A 109 LYS HDx A 126 LEU HDy% 1.0 . 3.25 826 701 A 109 LYS HDy A 126 LEU HDy% 1.0 . 3.25 827 702 A 48 LEU H A 47 SER HBy 1.0 . 3.97 828 703 A 69 THR HG2% A 47 SER HBy 1.0 . 4.64 829 704 A 47 SER HBy A 38 GLN HBx 1.0 . 4.86 830 704 A 38 GLN HBy A 47 SER HBy 1.0 . 4.86 831 705 A 48 LEU H A 47 SER HBx 1.0 . 3.85 832 706 A 72 ALA H A 72 ALA HB% 1.0 . 3.20 833 707 A 73 ILE H A 72 ALA HB% 1.0 . 3.50 834 708 A 72 ALA HB% A 11 ALA H 1.0 . 4.93 835 709 A 35 ASN H A 72 ALA HB% 1.0 . 4.01 836 710 A 72 ALA HB% A 37 THR H 1.0 . 5.41 837 711 A 74 GLU H A 72 ALA HB% 1.0 . 3.55 838 712 A 72 ALA HB% A 37 THR HB 1.0 . 4.37 839 713 A 71 LYS HA A 72 ALA HB% 1.0 . 4.17 840 714 A 35 ASN HBy A 72 ALA HB% 1.0 . 5.18 841 715 A 35 ASN HBx A 72 ALA HB% 1.0 . 5.50 842 716 A 72 ALA HB% A 37 THR HG2% 1.0 . 3.45 843 717 A 34 ALA H A 34 ALA HB% 1.0 . 3.50 844 718 A 35 ASN H A 34 ALA HB% 1.0 . 3.96 845 719 A 37 THR H A 34 ALA HB% 1.0 . 4.44 846 720 A 72 ALA HA A 34 ALA HB% 1.0 . 4.98 847 721 A 33 VAL HA A 34 ALA HB% 1.0 . 4.51 848 722 A 50 SER HBy A 34 ALA HB% 1.0 . 4.48 849 723 A 50 SER HBx A 34 ALA HB% 1.0 . 4.08 850 724 A 72 ALA HB% A 34 ALA HB% 1.0 . 3.36 851 725 A 37 THR HG2% A 34 ALA HB% 1.0 . 3.25 852 726 A 39 LEU HDx% A 34 ALA HB% 1.0 . 3.20 853 727 A 32 VAL HGx% A 34 ALA HB% 1.0 . 5.33 854 728 A 59 LEU H A 59 LEU HDx% 1.0 . 4.23 855 729 A 19 GLN HE2y A 59 LEU HDx% 1.0 . 4.96 856 730 A 6 PRO HA A 7 GLY H 1.0 . 3.05 857 731 A 97 VAL H A 110 SER HBy 1.0 . 4.57 858 732 A 17 ILE H A 16 THR HG2% 1.0 . 3.68 859 733 A 66 LEU H A 16 THR HG2% 1.0 . 4.35 860 734 A 16 THR HG2% A 100 TYR HE% 1.0 . 3.67 861 734 A 16 THR HG2% A 100 TYR HD% 1.0 . 3.67 862 735 A 15 VAL HA A 16 THR HG2% 1.0 . 4.64 863 736 A 16 THR HA A 16 THR HG2% 1.0 . 3.18 864 737 A 65 THR HA A 16 THR HG2% 1.0 . 3.83 865 738 A 65 THR HB A 16 THR HG2% 1.0 . 4.31 866 739 A 16 THR HG2% A 63 LYS HEx 1.0 . 4.02 867 739 A 63 LYS HEy A 16 THR HG2% 1.0 . 4.02 868 740 A 14 GLU HGx A 16 THR HG2% 1.0 . 4.49 869 741 A 16 THR HG2% A 63 LYS HDx 1.0 . 4.01 870 741 A 63 LYS HDy A 16 THR HG2% 1.0 . 4.01 871 742 A 15 VAL H A 16 THR HG2% 1.0 . 5.48 872 743 A 59 LEU HA A 59 LEU HDx% 1.0 . 3.11 873 744 A 59 LEU HBy A 59 LEU HDx% 1.0 . 3.37 874 745 A 17 ILE HG2% A 59 LEU HDx% 1.0 . 4.45 875 746 A 17 ILE HD1% A 59 LEU HDx% 1.0 . 4.41 876 747 A 69 THR HA A 69 THR HB 1.0 . 2.88 877 748 A 111 LEU H A 110 SER HBy 1.0 . 3.99 878 749 A 110 SER H A 110 SER HBy 1.0 . 3.32 879 750 A 110 SER HBy A 96 VAL HGx% 1.0 . 4.26 880 750 A 110 SER HBy A 96 VAL HGy% 1.0 . 4.26 881 751 A 110 SER HBx A 96 VAL HGx% 1.0 . 4.26 882 751 A 96 VAL HGy% A 110 SER HBx 1.0 . 4.26 883 752 A 111 LEU H A 110 SER HBx 1.0 . 4.18 884 753 A 110 SER H A 110 SER HBx 1.0 . 3.36 885 754 A 121 THR H A 121 THR HG2% 1.0 . 3.54 886 755 A 61 VAL HGy% A 64 VAL HA 1.0 . 5.45 887 756 A 62 GLU H A 61 VAL HGy% 1.0 . 3.82 888 757 A 63 LYS H A 61 VAL HGy% 1.0 . 4.18 889 758 A 61 VAL H A 61 VAL HGy% 1.0 . 3.39 890 759 A 61 VAL HA A 61 VAL HGy% 1.0 . 2.99 891 760 A 60 ALA HB% A 61 VAL HGy% 1.0 . 4.21 892 761 A 61 VAL HGy% A 60 ALA H 1.0 . 4.49 893 762 A 99 VAL HGy% A 16 THR H 1.0 . 5.13 894 763 A 99 VAL H A 99 VAL HGy% 1.0 . 3.64 895 764 A 99 VAL HGy% A 128 TYR HD% 1.0 . 5.50 896 765 A 26 PHE H A 25 SER HBx 1.0 . 4.17 897 765 A 25 SER HBy A 26 PHE H 1.0 . 4.17 898 766 A 90 ASN HD2x A 25 SER HBx 1.0 . 4.41 899 766 A 25 SER HBy A 90 ASN HD2x 1.0 . 4.41 900 767 A 45 GLY H A 44 THR HG2% 1.0 . 4.43 901 768 A 44 THR HG2% A 44 THR H 1.0 . 3.53 902 769 A 46 GLU HGx A 44 THR HG2% 1.0 . 4.69 903 770 A 44 THR HG2% A 43 ALA HB% 1.0 . 3.47 904 771 A 99 VAL HGy% A 100 TYR H 1.0 . 4.14 905 772 A 128 TYR HE% A 99 VAL HGy% 1.0 . 3.62 906 773 A 99 VAL HGy% A 15 VAL HA 1.0 . 4.06 907 774 A 99 VAL HGy% A 99 VAL HA 1.0 . 3.30 908 775 A 82 VAL H A 82 VAL HGx% 1.0 . 3.85 909 776 A 83 ASP H A 82 VAL HGx% 1.0 . 3.69 910 777 A 82 VAL HGx% A 82 VAL HA 1.0 . 3.66 911 778 A 83 ASP HBy A 82 VAL HGx% 1.0 . 5.06 912 779 A 83 ASP HBx A 82 VAL HGx% 1.0 . 5.07 913 780 A 54 LEU H A 52 VAL HGx% 1.0 . 4.28 914 781 A 51 PRO HA A 33 VAL HGx% 1.0 . 4.08 915 781 A 33 VAL HGy% A 51 PRO HA 1.0 . 4.08 916 782 A 33 VAL HGy% A 51 PRO HDy 1.0 . 5.14 917 782 A 33 VAL HGx% A 51 PRO HDy 1.0 . 5.14 918 782 A 51 PRO HDx A 33 VAL HGx% 1.0 . 5.14 919 782 A 33 VAL HGy% A 51 PRO HDx 1.0 . 5.14 920 783 A 35 ASN HD2y A 33 VAL HGx% 1.0 . 5.50 921 783 A 35 ASN HD2y A 33 VAL HGy% 1.0 . 5.50 922 784 A 32 VAL HA A 32 VAL HGy% 1.0 . 3.10 923 785 A 54 LEU H A 30 VAL HGy% 1.0 . 5.10 924 786 A 54 LEU HBy A 30 VAL HGy% 1.0 . 4.69 925 787 A 82 VAL H A 82 VAL HGy% 1.0 . 3.63 926 788 A 53 ILE H A 52 VAL HGx% 1.0 . 3.75 927 789 A 120 SER H A 119 ILE HG2% 1.0 . 3.85 928 790 A 82 VAL HA A 82 VAL HGy% 1.0 . 3.59 929 791 A 53 ILE HA A 52 VAL HGx% 1.0 . 3.92 930 792 A 98 THR HG2% A 98 THR HA 1.0 . 3.21 931 793 A 98 THR HG2% A 105 GLU HA 1.0 . 4.54 932 794 A 98 THR HG2% A 100 TYR HE% 1.0 . 3.82 933 794 A 98 THR HG2% A 100 TYR HD% 1.0 . 3.82 934 795 A 112 VAL H A 112 VAL HGx% 1.0 . 3.50 935 795 A 112 VAL HGy% A 112 VAL H 1.0 . 3.50 936 796 A 51 PRO HBy A 33 VAL HGx% 1.0 . 3.06 937 796 A 33 VAL HGy% A 51 PRO HBy 1.0 . 3.06 938 797 A 34 ALA H A 33 VAL HGx% 1.0 . 3.09 939 797 A 33 VAL HGy% A 34 ALA H 1.0 . 3.09 940 798 A 33 VAL HA A 33 VAL HGx% 1.0 . 3.10 941 798 A 33 VAL HGy% A 33 VAL HA 1.0 . 3.10 942 799 A 50 SER HBy A 33 VAL HGx% 1.0 . 5.10 943 799 A 33 VAL HGy% A 50 SER HBy 1.0 . 5.10 944 800 A 128 TYR HE% A 99 VAL HGx% 1.0 . 3.74 945 801 A 99 VAL HA A 99 VAL HGx% 1.0 . 3.25 946 802 A 100 TYR H A 99 VAL HGx% 1.0 . 3.52 947 803 A 99 VAL H A 99 VAL HGx% 1.0 . 4.65 948 804 A 128 TYR HD% A 99 VAL HGx% 1.0 . 5.21 949 805 A 77 VAL HGy% A 78 SER H 1.0 . 4.58 950 806 A 77 VAL HGy% A 33 VAL H 1.0 . 5.01 951 807 A 77 VAL HGy% A 77 VAL H 1.0 . 3.86 952 808 A 77 VAL HGy% A 77 VAL HA 1.0 . 3.31 953 809 A 77 VAL HGy% A 15 VAL HB 1.0 . 3.90 954 810 A 78 SER H A 31 VAL HGx% 1.0 . 4.12 955 811 A 32 VAL HA A 31 VAL HGx% 1.0 . 4.73 956 812 A 81 VAL HGx% A 82 VAL H 1.0 . 4.42 957 813 A 81 VAL H A 81 VAL HGx% 1.0 . 4.03 958 814 A 81 VAL HGx% A 26 PHE HE% 1.0 . 5.48 959 815 A 81 VAL HGx% A 26 PHE HD% 1.0 . 3.93 960 816 A 81 VAL HGx% A 113 PHE HD% 1.0 . 4.24 961 817 A 81 VAL HGx% A 81 VAL HA 1.0 . 3.54 962 818 A 81 VAL HGx% A 82 VAL HA 1.0 . 4.74 963 819 A 81 VAL HGx% A 26 PHE HBy 1.0 . 4.52 964 820 A 81 VAL HGx% A 26 PHE HBx 1.0 . 5.03 965 821 A 65 THR HG2% A 15 VAL H 1.0 . 4.58 966 822 A 65 THR HG2% A 17 ILE H 1.0 . 5.37 967 823 A 65 THR HG2% A 66 LEU H 1.0 . 3.22 968 824 A 65 THR HG2% A 66 LEU HA 1.0 . 4.14 969 825 A 65 THR HG2% A 65 THR HA 1.0 . 3.17 970 826 A 65 THR HG2% A 14 GLU HGy 1.0 . 3.82 971 827 A 65 THR HG2% A 14 GLU HGx 1.0 . 4.22 972 828 A 97 VAL H A 96 VAL HGx% 1.0 . 4.17 973 828 A 97 VAL H A 96 VAL HGy% 1.0 . 4.17 974 829 A 96 VAL H A 96 VAL HGx% 1.0 . 3.81 975 829 A 96 VAL H A 96 VAL HGy% 1.0 . 3.81 976 830 A 96 VAL HA A 96 VAL HGx% 1.0 . 3.28 977 830 A 96 VAL HGy% A 96 VAL HA 1.0 . 3.28 978 831 A 18 GLU HBy A 96 VAL HGx% 1.0 . 3.45 979 831 A 18 GLU HBy A 96 VAL HGy% 1.0 . 3.45 980 832 A 107 GLU H A 98 THR HG2% 1.0 . 4.48 981 833 A 98 THR HG2% A 99 VAL H 1.0 . 3.21 982 834 A 17 ILE HG2% A 97 VAL HGx% 1.0 . 5.01 983 834 A 17 ILE HG2% A 97 VAL HGy% 1.0 . 5.01 984 835 A 31 VAL HGy% A 78 SER HBx 1.0 . 5.28 985 835 A 78 SER HBy A 31 VAL HGy% 1.0 . 5.28 986 836 A 77 VAL HGx% A 78 SER H 1.0 . 3.47 987 837 A 77 VAL HGx% A 77 VAL H 1.0 . 4.31 988 838 A 78 SER HA A 77 VAL HGx% 1.0 . 5.19 989 839 A 77 VAL HGx% A 77 VAL HA 1.0 . 3.19 990 840 A 93 MET H A 92 PRO HA 1.0 . 3.01 991 841 A 22 ASP HBy A 92 PRO HA 1.0 . 4.21 992 842 A 110 SER HA A 96 VAL HGx% 1.0 . 3.76 993 842 A 110 SER HA A 96 VAL HGy% 1.0 . 3.76 994 843 A 95 TRP HBx A 96 VAL HGx% 1.0 . 4.95 995 843 A 95 TRP HBx A 96 VAL HGy% 1.0 . 4.95 996 844 A 89 VAL H A 89 VAL HGy% 1.0 . 3.18 997 845 A 90 ASN H A 89 VAL HGx% 1.0 . 3.57 998 846 A 64 VAL HA A 64 VAL HGx% 1.0 . 3.15 999 846 A 64 VAL HGy% A 64 VAL HA 1.0 . 3.15 1000 847 A 89 VAL HGx% A 89 VAL HA 1.0 . 3.22 1001 848 A 88 VAL HGx% A 88 VAL H 1.0 . 3.53 1002 849 A 88 VAL HGx% A 88 VAL HA 1.0 . 3.13 1003 850 A 110 SER HBy A 97 VAL HGx% 1.0 . 5.02 1004 850 A 97 VAL HGy% A 110 SER HBy 1.0 . 5.02 1005 851 A 95 TRP HBx A 97 VAL HGx% 1.0 . 3.41 1006 851 A 97 VAL HGy% A 95 TRP HBx 1.0 . 3.41 1007 852 A 97 VAL HA A 97 VAL HGx% 1.0 . 3.01 1008 852 A 97 VAL HGy% A 97 VAL HA 1.0 . 3.01 1009 853 A 90 ASN HBx A 89 VAL HA 1.0 . 4.96 1010 854 A 89 VAL HGy% A 89 VAL HA 1.0 . 3.25 1011 855 A 65 THR H A 64 VAL HGx% 1.0 . 3.30 1012 855 A 65 THR H A 64 VAL HGy% 1.0 . 3.30 1013 856 A 63 LYS HA A 64 VAL HGx% 1.0 . 4.87 1014 856 A 63 LYS HA A 64 VAL HGy% 1.0 . 4.87 1015 857 A 17 ILE HG2% A 64 VAL HGx% 1.0 . 4.06 1016 857 A 17 ILE HG2% A 64 VAL HGy% 1.0 . 4.06 1017 858 A 113 PHE H A 112 VAL HGx% 1.0 . 3.63 1018 858 A 112 VAL HGy% A 113 PHE H 1.0 . 3.63 1019 859 A 17 ILE HD1% A 97 VAL HGx% 1.0 . 3.87 1020 859 A 97 VAL HGy% A 17 ILE HD1% 1.0 . 3.87 1021 860 A 95 TRP HE3 A 97 VAL HGx% 1.0 . 4.44 1022 860 A 97 VAL HGy% A 95 TRP HE3 1.0 . 4.44 1023 861 A 90 ASN HD2y A 88 VAL HGy% 1.0 . 4.21 1024 862 A 90 ASN HD2x A 88 VAL HGy% 1.0 . 4.56 1025 863 A 88 VAL HA A 88 VAL HGy% 1.0 . 3.18 1026 864 A 90 ASN H A 89 VAL HA 1.0 . 2.82 1027 865 A 90 ASN HBy A 88 VAL HGy% 1.0 . 5.41 1028 866 A 51 PRO HA A 50 SER HBy 1.0 . 4.34 1029 867 A 52 VAL H A 51 PRO HA 1.0 . 2.93 1030 868 A 51 PRO HA A 34 ALA H 1.0 . 4.17 1031 869 A 51 PRO HA A 50 SER HA 1.0 . 2.98 1032 870 A 51 PRO HA A 33 VAL HA 1.0 . 3.53 1033 871 A 51 PRO HA A 50 SER HBx 1.0 . 4.38 1034 872 A 97 VAL H A 96 VAL HA 1.0 . 2.96 1035 873 A 96 VAL HA A 97 VAL HGx% 1.0 . 3.62 1036 873 A 97 VAL HGy% A 96 VAL HA 1.0 . 3.62 1037 874 A 121 THR HA A 122 ASP HA 1.0 . 4.34 1038 875 A 122 ASP H A 121 THR HA 1.0 . 3.20 1039 876 A 121 THR HG2% A 121 THR HA 1.0 . 3.31 1040 877 A 121 THR HA A 123 ASP H 1.0 . 4.02 1041 878 A 53 ILE H A 52 VAL HA 1.0 . 2.63 1042 879 A 52 VAL HA A 52 VAL HGx% 1.0 . 3.41 1043 880 A 118 GLU HA A 119 ILE HA 1.0 . 4.61 1044 881 A 120 SER H A 119 ILE HA 1.0 . 2.61 1045 882 A 119 ILE HG2% A 119 ILE HA 1.0 . 3.45 1046 883 A 15 VAL H A 15 VAL HGy% 1.0 . 3.15 1047 884 A 66 LEU H A 15 VAL HGy% 1.0 . 3.69 1048 885 A 15 VAL HA A 15 VAL HGy% 1.0 . 4.05 1049 886 A 66 LEU HA A 15 VAL HGy% 1.0 . 4.41 1050 887 A 65 THR HA A 15 VAL HGy% 1.0 . 4.89 1051 888 A 77 VAL HGy% A 15 VAL HGy% 1.0 . 3.32 1052 889 A 43 ALA HB% A 44 THR HA 1.0 . 4.32 1053 890 A 44 THR HG2% A 44 THR HA 1.0 . 3.15 1054 891 A 66 LEU HBy A 15 VAL HGy% 1.0 . 3.25 1055 892 A 70 GLY H A 68 THR HA 1.0 . 4.15 1056 893 A 68 THR HG2% A 68 THR HA 1.0 . 3.57 1057 894 A 69 THR HG2% A 68 THR HA 1.0 . 4.24 1058 895 A 39 LEU HDx% A 68 THR HA 1.0 . 3.64 1059 896 A 109 LYS H A 98 THR HA 1.0 . 3.94 1060 897 A 99 VAL HGy% A 98 THR HA 1.0 . 4.39 1061 898 A 99 VAL H A 98 THR HA 1.0 . 2.84 1062 899 A 42 GLY H A 43 ALA HB% 1.0 . 4.42 1063 900 A 43 ALA HB% A 43 ALA H 1.0 . 2.84 1064 901 A 45 GLY H A 43 ALA HB% 1.0 . 4.58 1065 902 A 44 THR H A 43 ALA HB% 1.0 . 3.27 1066 903 A 43 ALA HB% A 42 GLY HAx 1.0 . 4.94 1067 904 A 66 LEU H A 65 THR HA 1.0 . 2.78 1068 905 A 66 LEU HDx% A 65 THR HA 1.0 . 5.23 1069 906 A 40 LYS H A 68 THR HA 1.0 . 4.58 1070 907 A 30 VAL HA A 30 VAL HGy% 1.0 . 3.35 1071 908 A 30 VAL HA A 31 VAL H 1.0 . 2.87 1072 909 A 72 ALA H A 37 THR HG2% 1.0 . 4.62 1073 910 A 69 THR H A 37 THR HG2% 1.0 . 3.98 1074 911 A 71 LYS H A 37 THR HG2% 1.0 . 5.29 1075 912 A 38 GLN H A 37 THR HG2% 1.0 . 3.65 1076 913 A 37 THR HG2% A 37 THR H 1.0 . 3.24 1077 914 A 68 THR HB A 37 THR HG2% 1.0 . 3.08 1078 915 A 72 ALA HA A 37 THR HG2% 1.0 . 3.39 1079 916 A 71 LYS HA A 37 THR HG2% 1.0 . 5.08 1080 917 A 99 VAL HA A 100 TYR HE% 1.0 . 4.27 1081 917 A 99 VAL HA A 100 TYR HD% 1.0 . 4.27 1082 918 A 106 ILE HB A 106 ILE HA 1.0 . 3.01 1083 919 A 65 THR H A 64 VAL HA 1.0 . 2.60 1084 920 A 65 THR HB A 64 VAL HA 1.0 . 4.67 1085 921 A 49 ALA HB% A 49 ALA H 1.0 . 2.75 1086 922 A 49 ALA HB% A 38 GLN HE2y 1.0 . 4.57 1087 923 A 49 ALA HB% A 38 GLN HE2x 1.0 . 4.94 1088 924 A 49 ALA HB% A 48 LEU HA 1.0 . 3.84 1089 925 A 32 VAL H A 31 VAL HA 1.0 . 2.77 1090 926 A 31 VAL HA A 31 VAL HGy% 1.0 . 3.03 1091 927 A 33 VAL H A 32 VAL HA 1.0 . 2.81 1092 928 A 18 GLU H A 17 ILE HA 1.0 . 2.89 1093 929 A 63 LYS HA A 64 VAL HA 1.0 . 4.37 1094 930 A 60 ALA HB% A 59 LEU H 1.0 . 4.43 1095 931 A 60 ALA HB% A 60 ALA H 1.0 . 2.81 1096 932 A 60 ALA HB% A 61 VAL H 1.0 . 3.62 1097 933 A 60 ALA HB% A 57 GLU HA 1.0 . 3.81 1098 934 A 60 ALA HB% A 57 GLU H 1.0 . 5.50 1099 935 A 19 GLN HE2y A 60 ALA HB% 1.0 . 5.20 1100 936 A 27 ILE HA A 27 ILE HG1x 1.0 . 3.91 1101 937 A 31 VAL HA A 53 ILE HD1% 1.0 . 3.16 1102 938 A 89 VAL H A 88 VAL HA 1.0 . 2.87 1103 939 A 106 ILE H A 106 ILE HG2% 1.0 . 3.38 1104 940 A 128 TYR HE% A 106 ILE HG2% 1.0 . 5.47 1105 941 A 106 ILE HG2% A 106 ILE HA 1.0 . 2.99 1106 942 A 106 ILE HG2% A 105 GLU HA 1.0 . 4.43 1107 943 A 106 ILE HG2% A 104 LYS HEx 1.0 . 5.33 1108 943 A 104 LYS HEy A 106 ILE HG2% 1.0 . 5.33 1109 944 A 101 LYS HBy A 106 ILE HG2% 1.0 . 3.16 1110 945 A 106 ILE HG2% A 106 ILE HG1x 1.0 . 3.29 1111 946 A 100 TYR HA A 106 ILE HG2% 1.0 . 4.30 1112 947 A 28 LYS H A 27 ILE HA 1.0 . 2.89 1113 948 A 17 ILE HB A 97 VAL HA 1.0 . 4.98 1114 949 A 53 ILE HA A 31 VAL HA 1.0 . 3.32 1115 950 A 113 PHE H A 112 VAL HA 1.0 . 2.97 1116 951 A 94 GLN HA A 112 VAL HA 1.0 . 3.35 1117 952 A 112 VAL HA A 112 VAL HGx% 1.0 . 3.28 1118 952 A 112 VAL HGy% A 112 VAL HA 1.0 . 3.28 1119 953 A 95 TRP H A 112 VAL HA 1.0 . 4.60 1120 954 A 52 VAL H A 33 VAL HA 1.0 . 4.26 1121 955 A 54 LEU H A 53 ILE HA 1.0 . 2.83 1122 956 A 112 VAL HA A 94 GLN HGx 1.0 . 4.74 1123 956 A 94 GLN HGy A 112 VAL HA 1.0 . 4.74 1124 957 A 112 VAL HA A 113 PHE HA 1.0 . 5.26 1125 958 A 33 VAL HA A 34 ALA H 1.0 . 2.78 1126 959 A 33 VAL HA A 51 PRO HBy 1.0 . 4.29 1127 960 A 62 GLU H A 61 VAL HGx% 1.0 . 3.80 1128 961 A 63 LYS H A 61 VAL HGx% 1.0 . 3.39 1129 962 A 60 ALA H A 61 VAL HGx% 1.0 . 4.20 1130 963 A 61 VAL H A 61 VAL HGx% 1.0 . 2.79 1131 964 A 63 LYS HA A 61 VAL HGx% 1.0 . 5.15 1132 965 A 61 VAL HA A 61 VAL HGx% 1.0 . 3.42 1133 966 A 64 VAL HA A 61 VAL HGx% 1.0 . 4.21 1134 967 A 62 GLU HA A 61 VAL HGx% 1.0 . 5.11 1135 968 A 27 ILE HG1y A 27 ILE HA 1.0 . 4.02 1136 969 A 35 ASN HD2y A 73 ILE HG2% 1.0 . 4.37 1137 970 A 74 GLU HA A 73 ILE HG2% 1.0 . 4.59 1138 971 A 73 ILE HG2% A 73 ILE HA 1.0 . 3.12 1139 972 A 71 LYS HEx A 73 ILE HG2% 1.0 . 4.24 1140 973 A 73 ILE HG1y A 73 ILE HG2% 1.0 . 3.80 1141 974 A 73 ILE HG2% A 73 ILE HG1x 1.0 . 3.26 1142 975 A 26 PHE HD% A 23 PHE HA 1.0 . 3.51 1143 976 A 93 MET HBy A 23 PHE HA 1.0 . 3.87 1144 977 A 83 ASP HBx A 82 VAL HA 1.0 . 4.38 1145 978 A 83 ASP H A 82 VAL HA 1.0 . 2.99 1146 979 A 61 VAL HA A 62 GLU HA 1.0 . 4.95 1147 980 A 37 THR HB A 37 THR HA 1.0 . 2.71 1148 981 A 59 LEU H A 56 ASP HA 1.0 . 3.63 1149 982 A 59 LEU HBy A 56 ASP HA 1.0 . 4.20 1150 983 A 59 LEU HDy% A 56 ASP HA 1.0 . 4.77 1151 984 A 59 LEU HBx A 56 ASP HA 1.0 . 3.49 1152 985 A 57 GLU HA A 58 GLU HA 1.0 . 4.73 1153 986 A 57 GLU HA A 60 ALA H 1.0 . 4.67 1154 987 A 57 GLU HBx A 57 GLU HA 1.0 . 2.87 1155 988 A 19 GLN H A 62 GLU HA 1.0 . 3.98 1156 989 A 19 GLN HE2x A 62 GLU HA 1.0 . 4.57 1157 990 A 62 GLU HA A 62 GLU HGx 1.0 . 3.66 1158 991 A 19 GLN HBx A 62 GLU HA 1.0 . 3.62 1159 992 A 62 GLU HA A 19 GLN HBy 1.0 . 4.27 1160 993 A 55 SER H A 53 ILE HG2% 1.0 . 5.08 1161 994 A 82 VAL H A 81 VAL HA 1.0 . 2.98 1162 995 A 37 THR HG2% A 37 THR HA 1.0 . 3.12 1163 996 A 58 GLU HGy A 58 GLU HA 1.0 . 3.64 1164 997 A 60 ALA HB% A 58 GLU HA 1.0 . 4.81 1165 998 A 54 LEU H A 53 ILE HG2% 1.0 . 3.52 1166 999 A 53 ILE H A 53 ILE HG2% 1.0 . 3.93 1167 1000 A 30 VAL H A 53 ILE HG2% 1.0 . 5.05 1168 1001 A 53 ILE HA A 53 ILE HG2% 1.0 . 3.15 1169 1002 A 53 ILE HG2% A 55 SER HBx 1.0 . 5.41 1170 1003 A 53 ILE HG1x A 53 ILE HG2% 1.0 . 3.56 1171 1004 A 16 THR HA A 66 LEU H 1.0 . 4.18 1172 1005 A 17 ILE H A 16 THR HA 1.0 . 2.74 1173 1006 A 16 THR HA A 65 THR HA 1.0 . 3.26 1174 1007 A 62 GLU H A 61 VAL HA 1.0 . 2.83 1175 1008 A 61 VAL HA A 61 VAL HB 1.0 . 2.89 1176 1009 A 121 THR H A 119 ILE HD1% 1.0 . 4.15 1177 1010 A 119 ILE HB A 119 ILE HD1% 1.0 . 2.80 1178 1011 A 82 VAL H A 119 ILE HD1% 1.0 . 4.65 1179 1012 A 68 THR H A 12 MET HE% 1.0 . 4.65 1180 1013 A 71 LYS H A 12 MET HE% 1.0 . 4.45 1181 1014 A 13 TYR H A 12 MET HE% 1.0 . 4.07 1182 1015 A 70 GLY H A 12 MET HE% 1.0 . 4.24 1183 1016 A 68 THR HB A 12 MET HE% 1.0 . 3.96 1184 1017 A 12 MET HA A 12 MET HE% 1.0 . 4.01 1185 1018 A 70 GLY HAy A 12 MET HE% 1.0 . 3.43 1186 1019 A 69 THR HA A 12 MET HE% 1.0 . 4.06 1187 1020 A 12 MET HE% A 70 GLY HAx 1.0 . 4.53 1188 1021 A 12 MET HGy A 12 MET HE% 1.0 . 3.29 1189 1022 A 12 MET HGx A 12 MET HE% 1.0 . 3.67 1190 1023 A 68 THR HG2% A 12 MET HE% 1.0 . 4.13 1191 1024 A 69 THR HG2% A 12 MET HE% 1.0 . 5.50 1192 1025 A 12 MET H A 12 MET HE% 1.0 . 5.00 1193 1026 A 95 TRP HE1 A 93 MET HE% 1.0 . 3.53 1194 1027 A 20 SER H A 93 MET HE% 1.0 . 4.34 1195 1028 A 94 GLN H A 93 MET HE% 1.0 . 4.41 1196 1029 A 95 TRP HD1 A 93 MET HE% 1.0 . 4.06 1197 1030 A 23 PHE HD% A 93 MET HE% 1.0 . 4.89 1198 1031 A 23 PHE HA A 93 MET HE% 1.0 . 4.10 1199 1032 A 23 PHE HBy A 93 MET HE% 1.0 . 3.70 1200 1033 A 23 PHE HBx A 93 MET HE% 1.0 . 3.69 1201 1034 A 93 MET HBy A 93 MET HE% 1.0 . 3.57 1202 1035 A 93 MET HGx A 93 MET HE% 1.0 . 4.46 1203 1036 A 81 VAL HGy% A 93 MET HE% 1.0 . 4.14 1204 1037 A 81 VAL HGx% A 93 MET HE% 1.0 . 4.24 1205 1038 A 120 SER H A 119 ILE HD1% 1.0 . 3.07 1206 1039 A 119 ILE HA A 119 ILE HD1% 1.0 . 3.58 1207 1040 A 48 LEU HDy% A 47 SER HA 1.0 . 4.29 1208 1041 A 48 LEU H A 47 SER HA 1.0 . 2.79 1209 1042 A 40 LYS HGy A 47 SER HA 1.0 . 3.95 1210 1043 A 24 ARG HA A 23 PHE HD% 1.0 . 4.22 1211 1044 A 24 ARG HA A 24 ARG HGy 1.0 . 3.65 1212 1045 A 24 ARG HA A 24 ARG HGx 1.0 . 4.08 1213 1046 A 98 THR HB A 15 VAL HA 1.0 . 4.86 1214 1047 A 48 LEU HG A 47 SER HA 1.0 . 3.92 1215 1048 A 15 VAL HA A 100 TYR HE% 1.0 . 4.29 1216 1048 A 15 VAL HA A 100 TYR HD% 1.0 . 4.29 1217 1049 A 15 VAL HA A 100 TYR H 1.0 . 3.91 1218 1050 A 16 THR H A 15 VAL HA 1.0 . 2.78 1219 1051 A 16 THR HA A 15 VAL HA 1.0 . 5.09 1220 1052 A 15 VAL HA A 99 VAL HA 1.0 . 3.34 1221 1053 A 15 VAL HA A 99 VAL HGx% 1.0 . 4.46 1222 1054 A 20 SER HA A 23 PHE HE% 1.0 . 4.54 1223 1055 A 23 PHE HD% A 20 SER HA 1.0 . 3.97 1224 1056 A 20 SER HA A 21 GLY H 1.0 . 3.01 1225 1057 A 106 ILE H A 105 GLU HA 1.0 . 2.82 1226 1058 A 107 GLU H A 105 GLU HA 1.0 . 3.83 1227 1059 A 105 GLU HA A 100 TYR HE% 1.0 . 3.83 1228 1059 A 105 GLU HA A 100 TYR HD% 1.0 . 3.83 1229 1060 A 100 TYR HA A 105 GLU HA 1.0 . 3.23 1230 1061 A 100 TYR HBx A 105 GLU HA 1.0 . 5.02 1231 1062 A 105 GLU HA A 105 GLU HGx 1.0 . 3.35 1232 1062 A 105 GLU HGy A 105 GLU HA 1.0 . 3.35 1233 1063 A 17 ILE H A 17 ILE HD1% 1.0 . 4.28 1234 1064 A 96 VAL H A 17 ILE HD1% 1.0 . 4.60 1235 1065 A 95 TRP HBx A 17 ILE HD1% 1.0 . 4.51 1236 1066 A 20 SER HA A 93 MET HE% 1.0 . 4.98 1237 1067 A 95 TRP HE1 A 17 ILE HD1% 1.0 . 4.62 1238 1068 A 19 GLN H A 17 ILE HD1% 1.0 . 5.48 1239 1069 A 18 GLU H A 17 ILE HD1% 1.0 . 3.75 1240 1070 A 95 TRP HD1 A 17 ILE HD1% 1.0 . 4.80 1241 1071 A 19 GLN HE2x A 17 ILE HD1% 1.0 . 5.47 1242 1072 A 17 ILE HD1% A 95 TRP HA 1.0 . 4.91 1243 1073 A 17 ILE HD1% A 97 VAL HA 1.0 . 4.31 1244 1074 A 17 ILE HA A 17 ILE HD1% 1.0 . 3.34 1245 1075 A 97 VAL HB A 17 ILE HD1% 1.0 . 4.02 1246 1076 A 17 ILE HD1% A 19 GLN HGx 1.0 . 3.69 1247 1076 A 19 GLN HGy A 17 ILE HD1% 1.0 . 3.69 1248 1077 A 17 ILE HB A 17 ILE HD1% 1.0 . 3.01 1249 1078 A 12 MET HGx A 71 LYS HA 1.0 . 4.67 1250 1079 A 72 ALA H A 71 LYS HA 1.0 . 2.85 1251 1080 A 71 LYS HA A 11 ALA H 1.0 . 4.40 1252 1081 A 71 LYS HA A 71 LYS HGx 1.0 . 3.50 1253 1081 A 71 LYS HA A 71 LYS HGy 1.0 . 3.50 1254 1082 A 72 ALA HA A 71 LYS HA 1.0 . 4.40 1255 1083 A 30 VAL H A 29 SER HA 1.0 . 2.69 1256 1084 A 106 ILE HA A 106 ILE HD1% 1.0 . 4.28 1257 1085 A 128 TYR HBy A 106 ILE HD1% 1.0 . 4.71 1258 1086 A 101 LYS HEy A 106 ILE HD1% 1.0 . 5.45 1259 1087 A 106 ILE H A 106 ILE HD1% 1.0 . 3.87 1260 1088 A 107 GLU H A 106 ILE HD1% 1.0 . 4.67 1261 1089 A 128 TYR HD% A 106 ILE HD1% 1.0 . 4.05 1262 1090 A 128 TYR HE% A 106 ILE HD1% 1.0 . 4.01 1263 1091 A 100 TYR HA A 106 ILE HD1% 1.0 . 4.96 1264 1092 A 106 ILE HB A 106 ILE HD1% 1.0 . 3.15 1265 1093 A 99 VAL HB A 106 ILE HD1% 1.0 . 3.53 1266 1094 A 106 ILE HG2% A 106 ILE HD1% 1.0 . 3.01 1267 1095 A 27 ILE H A 26 PHE HA 1.0 . 3.19 1268 1096 A 108 LYS H A 107 GLU HA 1.0 . 2.63 1269 1097 A 107 GLU HA A 107 GLU HGy 1.0 . 3.09 1270 1097 A 107 GLU HGx A 107 GLU HA 1.0 . 3.09 1271 1098 A 118 GLU H A 117 LYS HA 1.0 . 2.91 1272 1099 A 117 LYS HDy A 117 LYS HA 1.0 . 3.64 1273 1100 A 117 LYS HA A 117 LYS HDx 1.0 . 3.62 1274 1101 A 110 SER HA A 97 VAL HGx% 1.0 . 4.57 1275 1101 A 97 VAL HGy% A 110 SER HA 1.0 . 4.57 1276 1102 A 111 LEU H A 110 SER HA 1.0 . 2.81 1277 1103 A 110 SER HA A 96 VAL HA 1.0 . 3.28 1278 1104 A 110 SER HA A 111 LEU HG 1.0 . 4.73 1279 1105 A 121 THR H A 120 SER HA 1.0 . 2.95 1280 1106 A 101 LYS HA A 13 TYR HA 1.0 . 3.55 1281 1107 A 14 GLU H A 13 TYR HA 1.0 . 2.91 1282 1108 A 101 LYS H A 13 TYR HA 1.0 . 5.50 1283 1109 A 46 GLU HA A 47 SER H 1.0 . 2.64 1284 1110 A 46 GLU HGx A 46 GLU HA 1.0 . 3.75 1285 1111 A 115 ASP HA A 116 GLY HAx 1.0 . 4.56 1286 1112 A 117 LYS H A 115 ASP HA 1.0 . 4.38 1287 1113 A 67 SER HA A 14 GLU HBy 1.0 . 3.91 1288 1114 A 56 ASP H A 55 SER HA 1.0 . 3.02 1289 1115 A 116 GLY H A 115 ASP HA 1.0 . 3.08 1290 1116 A 14 GLU HA A 67 SER HA 1.0 . 3.09 1291 1117 A 14 GLU HGy A 67 SER HA 1.0 . 4.34 1292 1118 A 15 VAL H A 67 SER HA 1.0 . 3.72 1293 1119 A 14 GLU HBx A 67 SER HA 1.0 . 4.80 1294 1120 A 78 SER HA A 79 GLY H 1.0 . 2.94 1295 1121 A 78 SER HA A 78 SER HBx 1.0 . 2.99 1296 1121 A 78 SER HA A 78 SER HBy 1.0 . 2.99 1297 1122 A 78 SER HA A 124 LEU HBx 1.0 . 3.50 1298 1123 A 78 SER HA A 124 LEU HDy% 1.0 . 4.63 1299 1124 A 78 SER HA A 124 LEU HDx% 1.0 . 4.13 1300 1125 A 76 ALA H A 75 PHE HA 1.0 . 2.79 1301 1126 A 75 PHE HD% A 75 PHE HA 1.0 . 3.58 1302 1127 A 108 LYS HA A 109 LYS HA 1.0 . 4.98 1303 1128 A 108 LYS HA A 108 LYS HBy 1.0 . 2.99 1304 1129 A 108 LYS HA A 108 LYS HGx 1.0 . 3.58 1305 1129 A 108 LYS HA A 108 LYS HGy 1.0 . 3.58 1306 1130 A 87 GLY H A 86 ASP HA 1.0 . 3.20 1307 1131 A 86 ASP HA A 86 ASP HBx 1.0 . 2.89 1308 1131 A 86 ASP HBy A 86 ASP HA 1.0 . 2.89 1309 1132 A 17 ILE H A 17 ILE HG2% 1.0 . 4.26 1310 1133 A 64 VAL H A 17 ILE HG2% 1.0 . 5.50 1311 1134 A 63 LYS HA A 17 ILE HG2% 1.0 . 5.01 1312 1135 A 18 GLU HA A 17 ILE HG2% 1.0 . 4.90 1313 1136 A 17 ILE HG2% A 17 ILE HD1% 1.0 . 3.36 1314 1137 A 108 LYS HA A 109 LYS H 1.0 . 2.86 1315 1138 A 71 LYS HEx A 9 LYS HA 1.0 . 4.59 1316 1139 A 10 GLY H A 9 LYS HA 1.0 . 2.75 1317 1140 A 100 TYR HA A 99 VAL HGx% 1.0 . 4.57 1318 1141 A 54 LEU H A 53 ILE HD1% 1.0 . 4.71 1319 1142 A 101 LYS H A 100 TYR HA 1.0 . 2.82 1320 1143 A 100 TYR HA A 100 TYR HE% 1.0 . 4.64 1321 1143 A 100 TYR HA A 100 TYR HD% 1.0 . 4.64 1322 1144 A 81 VAL HGx% A 28 LYS HA 1.0 . 4.57 1323 1145 A 38 GLN HGx A 38 GLN HA 1.0 . 3.10 1324 1146 A 53 ILE HA A 53 ILE HD1% 1.0 . 3.96 1325 1147 A 27 ILE HB A 27 ILE HD1% 1.0 . 3.16 1326 1148 A 118 GLU HA A 119 ILE HG2% 1.0 . 4.50 1327 1149 A 118 GLU HA A 118 GLU HGx 1.0 . 3.74 1328 1150 A 73 ILE HB A 73 ILE HD1% 1.0 . 3.34 1329 1151 A 64 VAL H A 63 LYS HA 1.0 . 2.79 1330 1152 A 63 LYS HA A 18 GLU HA 1.0 . 3.17 1331 1153 A 114 ARG HGx A 113 PHE HA 1.0 . 4.06 1332 1154 A 2 ASP HA A 3 ASP HBx 1.0 . 4.36 1333 1155 A 52 VAL HA A 53 ILE HD1% 1.0 . 3.76 1334 1156 A 35 ASN HBy A 73 ILE HD1% 1.0 . 4.42 1335 1157 A 63 LYS HA A 63 LYS HGx 1.0 . 3.46 1336 1157 A 63 LYS HA A 63 LYS HGy 1.0 . 3.46 1337 1158 A 63 LYS HA A 19 GLN H 1.0 . 4.07 1338 1159 A 17 ILE H A 63 LYS HA 1.0 . 5.21 1339 1160 A 74 GLU HA A 75 PHE H 1.0 . 2.84 1340 1161 A 114 ARG H A 113 PHE HA 1.0 . 3.19 1341 1162 A 91 GLU HA A 91 GLU HGx 1.0 . 3.48 1342 1163 A 15 VAL H A 14 GLU HA 1.0 . 2.84 1343 1164 A 14 GLU HA A 68 THR H 1.0 . 4.09 1344 1165 A 14 GLU HA A 14 GLU HGy 1.0 . 3.92 1345 1166 A 14 GLU HA A 15 VAL HGy% 1.0 . 4.50 1346 1167 A 19 GLN H A 18 GLU HA 1.0 . 2.86 1347 1168 A 91 GLU H A 90 ASN HA 1.0 . 3.13 1348 1169 A 90 ASN HD2y A 90 ASN HA 1.0 . 3.79 1349 1170 A 41 ASP H A 40 LYS HA 1.0 . 2.75 1350 1171 A 114 ARG HA A 114 ARG HGx 1.0 . 3.95 1351 1172 A 83 ASP HA A 84 GLY HAx 1.0 . 4.75 1352 1173 A 82 VAL HGy% A 83 ASP HA 1.0 . 5.23 1353 1174 A 19 GLN HE2x A 19 GLN HA 1.0 . 5.30 1354 1175 A 94 GLN HA A 95 TRP HBy 1.0 . 4.86 1355 1176 A 94 GLN H A 93 MET HA 1.0 . 3.08 1356 1177 A 21 GLY HAx A 93 MET HA 1.0 . 3.96 1357 1178 A 41 ASP HBx A 40 LYS HA 1.0 . 4.72 1358 1179 A 86 ASP H A 85 GLU HA 1.0 . 3.45 1359 1180 A 85 GLU HA A 85 GLU HGx 1.0 . 3.96 1360 1181 A 85 GLU H A 83 ASP HA 1.0 . 4.11 1361 1182 A 83 ASP HA A 84 GLY H 1.0 . 3.11 1362 1183 A 26 PHE HD% A 83 ASP HA 1.0 . 3.79 1363 1184 A 96 VAL H A 19 GLN HA 1.0 . 4.47 1364 1185 A 95 TRP HD1 A 19 GLN HA 1.0 . 3.70 1365 1186 A 19 GLN HA A 19 GLN HGx 1.0 . 4.10 1366 1186 A 19 GLN HGy A 19 GLN HA 1.0 . 4.10 1367 1187 A 95 TRP H A 94 GLN HA 1.0 . 2.91 1368 1188 A 94 GLN HA A 113 PHE H 1.0 . 4.19 1369 1189 A 94 GLN HA A 94 GLN HGx 1.0 . 3.82 1370 1189 A 94 GLN HA A 94 GLN HGy 1.0 . 3.82 1371 1190 A 94 GLN HA A 112 VAL HGx% 1.0 . 4.34 1372 1190 A 94 GLN HA A 112 VAL HGy% 1.0 . 4.34 1373 1191 A 94 GLN HA A 93 MET HGx 1.0 . 5.34 1374 1192 A 105 GLU H A 104 LYS HA 1.0 . 2.66 1375 1193 A 112 VAL H A 111 LEU HA 1.0 . 2.81 1376 1194 A 125 ASN H A 124 LEU HA 1.0 . 2.85 1377 1195 A 26 PHE HE% A 83 ASP HA 1.0 . 5.01 1378 1196 A 126 LEU H A 125 ASN HA 1.0 . 2.73 1379 1197 A 111 LEU HA A 111 LEU HG 1.0 . 3.39 1380 1198 A 12 MET HA A 71 LYS HA 1.0 . 4.01 1381 1199 A 13 TYR H A 12 MET HA 1.0 . 2.86 1382 1200 A 41 ASP HA A 42 GLY HAy 1.0 . 4.60 1383 1201 A 125 ASN HA A 78 SER HBx 1.0 . 4.17 1384 1201 A 78 SER HBy A 125 ASN HA 1.0 . 4.17 1385 1202 A 55 SER H A 54 LEU HA 1.0 . 2.79 1386 1203 A 102 ASN H A 101 LYS HA 1.0 . 2.95 1387 1204 A 74 GLU HA A 129 ASN HA 1.0 . 3.37 1388 1205 A 102 ASN HA A 103 GLY H 1.0 . 3.38 1389 1206 A 12 MET H A 102 ASN HA 1.0 . 4.09 1390 1207 A 12 MET HBy A 102 ASN HA 1.0 . 4.18 1391 1208 A 12 MET HBx A 102 ASN HA 1.0 . 3.54 1392 1209 A 40 LYS H A 66 LEU HA 1.0 . 4.78 1393 1210 A 41 ASP HA A 42 GLY H 1.0 . 2.90 1394 1211 A 41 ASP HA A 66 LEU HA 1.0 . 4.01 1395 1212 A 127 TYR H A 126 LEU HA 1.0 . 2.86 1396 1213 A 48 LEU HA A 49 ALA H 1.0 . 2.75 1397 1214 A 48 LEU HA A 48 LEU HBx 1.0 . 2.64 1398 1214 A 48 LEU HBy A 48 LEU HA 1.0 . 2.64 1399 1215 A 19 GLN HE2y A 59 LEU HA 1.0 . 4.51 1400 1216 A 61 VAL H A 59 LEU HA 1.0 . 4.25 1401 1217 A 61 VAL H A 60 ALA HA 1.0 . 3.56 1402 1218 A 40 LYS H A 39 LEU HA 1.0 . 3.00 1403 1219 A 69 THR H A 39 LEU HA 1.0 . 3.89 1404 1220 A 39 LEU HG A 39 LEU HA 1.0 . 3.68 1405 1221 A 69 THR HG2% A 39 LEU HA 1.0 . 4.29 1406 1222 A 95 TRP HE1 A 95 TRP HA 1.0 . 5.04 1407 1223 A 96 VAL H A 95 TRP HA 1.0 . 3.03 1408 1224 A 95 TRP HD1 A 95 TRP HA 1.0 . 3.42 1409 1225 A 95 TRP HA A 97 VAL HGx% 1.0 . 5.27 1410 1225 A 97 VAL HGy% A 95 TRP HA 1.0 . 5.27 1411 1226 A 18 GLU H A 95 TRP HA 1.0 . 4.87 1412 1227 A 38 GLN HGx A 49 ALA HA 1.0 . 3.61 1413 1228 A 50 SER H A 49 ALA HA 1.0 . 2.79 1414 1229 A 38 GLN HA A 49 ALA HA 1.0 . 4.10 1415 1230 A 12 MET H A 11 ALA HA 1.0 . 2.96 1416 1231 A 76 ALA HA A 127 TYR HA 1.0 . 3.84 1417 1232 A 77 VAL H A 76 ALA HA 1.0 . 2.81 1418 1233 A 76 ALA HA A 33 VAL H 1.0 . 5.29 1419 1234 A 77 VAL HGy% A 76 ALA HA 1.0 . 4.48 1420 1235 A 91 GLU HA A 92 PRO HDy 1.0 . 3.01 1421 1236 A 91 GLU HA A 92 PRO HDx 1.0 . 3.05 1422 1237 A 33 VAL HA A 34 ALA HA 1.0 . 4.60 1423 1238 A 92 PRO HDx A 91 GLU HBy 1.0 . 3.77 1424 1239 A 37 THR HG2% A 34 ALA HA 1.0 . 5.32 1425 1240 A 35 ASN H A 34 ALA HA 1.0 . 2.82 1426 1241 A 75 PHE HD% A 34 ALA HA 1.0 . 3.82 1427 1242 A 72 ALA HB% A 34 ALA HA 1.0 . 4.56 1428 1243 A 34 ALA HA A 33 VAL HGx% 1.0 . 4.94 1429 1243 A 33 VAL HGy% A 34 ALA HA 1.0 . 4.94 1430 1244 A 73 ILE H A 72 ALA HA 1.0 . 2.81 1431 1245 A 74 GLU H A 34 ALA HA 1.0 . 4.12 1432 1246 A 96 VAL H A 97 VAL H 1.0 . 4.74 1433 1247 A 110 SER HA A 97 VAL H 1.0 . 4.47 1434 1248 A 97 VAL HB A 97 VAL H 1.0 . 3.56 1435 1249 A 97 VAL H A 97 VAL HGx% 1.0 . 3.70 1436 1249 A 97 VAL HGy% A 97 VAL H 1.0 . 3.70 1437 1250 A 88 VAL H A 89 VAL H 1.0 . 5.05 1438 1251 A 88 VAL HB A 89 VAL H 1.0 . 4.97 1439 1252 A 89 VAL H A 88 VAL HGy% 1.0 . 3.85 1440 1253 A 28 LYS H A 56 ASP HA 1.0 . 5.17 1441 1254 A 28 LYS H A 28 LYS HBy 1.0 . 4.06 1442 1255 A 28 LYS H A 29 SER H 1.0 . 5.02 1443 1256 A 86 ASP H A 85 GLU HBy 1.0 . 5.50 1444 1257 A 118 GLU H A 119 ILE HG2% 1.0 . 5.50 1445 1258 A 117 LYS H A 118 GLU H 1.0 . 5.04 1446 1259 A 118 GLU H A 117 LYS HGx 1.0 . 5.38 1447 1260 A 54 LEU H A 54 LEU HBy 1.0 . 3.74 1448 1261 A 30 VAL H A 54 LEU H 1.0 . 3.98 1449 1262 A 54 LEU H A 54 LEU HG 1.0 . 4.77 1450 1263 A 54 LEU H A 31 VAL HA 1.0 . 4.87 1451 1264 A 75 PHE HD% A 76 ALA H 1.0 . 4.32 1452 1265 A 102 ASN HD2y A 102 ASN H 1.0 . 4.34 1453 1266 A 12 MET HBy A 102 ASN H 1.0 . 5.01 1454 1267 A 12 MET HBx A 102 ASN H 1.0 . 4.32 1455 1268 A 101 LYS HBx A 102 ASN H 1.0 . 4.85 1456 1269 A 101 LYS HGy A 102 ASN H 1.0 . 4.69 1457 1270 A 101 LYS HDx A 102 ASN H 1.0 . 4.54 1458 1271 A 33 VAL H A 76 ALA H 1.0 . 3.74 1459 1272 A 33 VAL HB A 76 ALA H 1.0 . 3.65 1460 1273 A 76 ALA H A 33 VAL HGx% 1.0 . 4.58 1461 1273 A 33 VAL HGy% A 76 ALA H 1.0 . 4.58 1462 1274 A 109 LYS H A 107 GLU HGy 1.0 . 5.47 1463 1275 A 32 VAL H A 33 VAL HA 1.0 . 5.50 1464 1276 A 50 SER HBx A 34 ALA H 1.0 . 3.93 1465 1277 A 33 VAL HB A 34 ALA H 1.0 . 5.11 1466 1278 A 39 LEU HDx% A 34 ALA H 1.0 . 4.66 1467 1279 A 109 LYS H A 99 VAL H 1.0 . 4.93 1468 1280 A 54 LEU H A 32 VAL H 1.0 . 5.22 1469 1281 A 32 VAL H A 32 VAL HGy% 1.0 . 3.57 1470 1282 A 40 LYS H A 41 ASP H 1.0 . 4.52 1471 1283 A 41 ASP H A 46 GLU H 1.0 . 4.50 1472 1284 A 95 TRP H A 111 LEU H 1.0 . 4.29 1473 1285 A 111 LEU H A 96 VAL HA 1.0 . 4.63 1474 1286 A 95 TRP HBy A 111 LEU H 1.0 . 4.94 1475 1287 A 111 LEU HBy A 111 LEU H 1.0 . 3.62 1476 1288 A 53 ILE H A 52 VAL H 1.0 . 4.71 1477 1289 A 53 ILE H A 53 ILE HD1% 1.0 . 3.66 1478 1290 A 54 LEU H A 53 ILE H 1.0 . 4.83 1479 1291 A 48 LEU H A 38 GLN HBx 1.0 . 4.20 1480 1291 A 48 LEU H A 38 GLN HBy 1.0 . 4.20 1481 1292 A 48 LEU H A 48 LEU HG 1.0 . 3.11 1482 1293 A 105 GLU H A 100 TYR HD% 1.0 . 3.93 1483 1294 A 104 LYS HBy A 105 GLU H 1.0 . 2.98 1484 1295 A 105 GLU H A 104 LYS H 1.0 . 5.23 1485 1296 A 30 VAL H A 31 VAL H 1.0 . 5.30 1486 1297 A 31 VAL H A 53 ILE HD1% 1.0 . 4.19 1487 1298 A 31 VAL H A 30 VAL HGx% 1.0 . 4.28 1488 1299 A 31 VAL H A 78 SER HBx 1.0 . 5.42 1489 1299 A 31 VAL H A 78 SER HBy 1.0 . 5.42 1490 1300 A 33 VAL H A 33 VAL HGx% 1.0 . 3.71 1491 1300 A 33 VAL HGy% A 33 VAL H 1.0 . 3.71 1492 1301 A 108 LYS H A 107 GLU H 1.0 . 4.70 1493 1302 A 108 LYS H A 98 THR HA 1.0 . 5.36 1494 1303 A 108 LYS H A 109 LYS H 1.0 . 4.56 1495 1304 A 76 ALA HA A 128 TYR H 1.0 . 4.25 1496 1305 A 128 TYR H A 75 PHE HBx 1.0 . 5.46 1497 1305 A 75 PHE HBy A 128 TYR H 1.0 . 5.46 1498 1306 A 22 ASP H A 93 MET HBx 1.0 . 4.89 1499 1307 A 127 TYR H A 128 TYR H 1.0 . 4.54 1500 1308 A 128 TYR H A 128 TYR HD% 1.0 . 3.95 1501 1309 A 128 TYR H A 127 TYR HD% 1.0 . 4.83 1502 1310 A 128 TYR H A 127 TYR HA 1.0 . 3.09 1503 1311 A 128 TYR HBx A 128 TYR H 1.0 . 3.88 1504 1312 A 127 TYR HBy A 128 TYR H 1.0 . 5.13 1505 1313 A 22 ASP H A 93 MET HA 1.0 . 3.90 1506 1314 A 16 THR H A 100 TYR H 1.0 . 5.25 1507 1315 A 100 TYR H A 100 TYR HD% 1.0 . 3.68 1508 1316 A 99 VAL HA A 100 TYR H 1.0 . 2.90 1509 1317 A 100 TYR HBy A 100 TYR H 1.0 . 3.81 1510 1318 A 125 ASN H A 124 LEU HBx 1.0 . 4.01 1511 1319 A 125 ASN H A 78 SER HA 1.0 . 5.28 1512 1320 A 64 VAL H A 63 LYS H 1.0 . 4.79 1513 1321 A 64 VAL H A 63 LYS HGx 1.0 . 3.70 1514 1321 A 64 VAL H A 63 LYS HGy 1.0 . 3.70 1515 1322 A 64 VAL H A 64 VAL HGx% 1.0 . 4.04 1516 1322 A 64 VAL H A 64 VAL HGy% 1.0 . 4.04 1517 1323 A 64 VAL H A 17 ILE HD1% 1.0 . 5.34 1518 1324 A 64 VAL H A 18 GLU HA 1.0 . 4.44 1519 1325 A 113 PHE H A 94 GLN HGx 1.0 . 5.44 1520 1325 A 94 GLN HGy A 113 PHE H 1.0 . 5.44 1521 1326 A 113 PHE HBx A 113 PHE H 1.0 . 4.02 1522 1327 A 93 MET H A 113 PHE H 1.0 . 4.39 1523 1328 A 93 MET HGy A 113 PHE H 1.0 . 5.50 1524 1329 A 93 MET HGx A 113 PHE H 1.0 . 5.01 1525 1330 A 63 LYS HA A 18 GLU H 1.0 . 5.50 1526 1331 A 18 GLU H A 18 GLU HBx 1.0 . 3.46 1527 1332 A 15 VAL H A 66 LEU H 1.0 . 3.81 1528 1333 A 66 LEU H A 67 SER H 1.0 . 5.50 1529 1334 A 14 GLU HA A 66 LEU H 1.0 . 4.99 1530 1335 A 66 LEU H A 65 THR HB 1.0 . 4.43 1531 1336 A 66 LEU HBy A 66 LEU H 1.0 . 3.58 1532 1337 A 107 GLU H A 99 VAL H 1.0 . 4.05 1533 1338 A 99 VAL H A 107 GLU HBy 1.0 . 5.03 1534 1339 A 127 TYR H A 126 LEU H 1.0 . 4.69 1535 1340 A 83 ASP H A 85 GLU H 1.0 . 5.27 1536 1341 A 128 TYR HE% A 127 TYR H 1.0 . 5.47 1537 1342 A 127 TYR H A 127 TYR HBx 1.0 . 3.65 1538 1343 A 126 LEU HBy A 127 TYR H 1.0 . 3.81 1539 1344 A 128 TYR H A 75 PHE H 1.0 . 3.68 1540 1345 A 74 GLU H A 75 PHE H 1.0 . 4.86 1541 1346 A 75 PHE H A 129 ASN HA 1.0 . 4.39 1542 1347 A 128 TYR HBy A 75 PHE H 1.0 . 4.93 1543 1348 A 129 ASN HBx A 75 PHE H 1.0 . 5.02 1544 1349 A 128 TYR HBx A 75 PHE H 1.0 . 4.24 1545 1350 A 74 GLU HBy A 75 PHE H 1.0 . 3.94 1546 1351 A 75 PHE H A 75 PHE HBx 1.0 . 3.55 1547 1351 A 75 PHE HBy A 75 PHE H 1.0 . 3.55 1548 1352 A 75 PHE HD% A 75 PHE H 1.0 . 4.97 1549 1353 A 83 ASP H A 82 VAL HB 1.0 . 4.14 1550 1354 A 126 LEU H A 126 LEU HDy% 1.0 . 4.72 1551 1354 A 126 LEU H A 126 LEU HDx% 1.0 . 4.72 1552 1355 A 17 ILE H A 65 THR HA 1.0 . 3.93 1553 1356 A 125 ASN HBy A 126 LEU H 1.0 . 5.32 1554 1357 A 17 ILE H A 64 VAL H 1.0 . 3.88 1555 1358 A 83 ASP H A 26 PHE HD% 1.0 . 5.50 1556 1359 A 125 ASN HBx A 126 LEU H 1.0 . 5.27 1557 1360 A 27 ILE H A 28 LYS H 1.0 . 5.49 1558 1361 A 19 GLN H A 95 TRP HD1 1.0 . 5.50 1559 1362 A 19 GLN HE2x A 19 GLN H 1.0 . 5.50 1560 1363 A 27 ILE H A 82 VAL H 1.0 . 3.95 1561 1364 A 27 ILE H A 26 PHE HD% 1.0 . 4.95 1562 1365 A 27 ILE H A 26 PHE HBx 1.0 . 4.10 1563 1366 A 27 ILE H A 27 ILE HD1% 1.0 . 4.16 1564 1367 A 19 GLN HBx A 19 GLN H 1.0 . 3.96 1565 1368 A 27 ILE H A 27 ILE HG1y 1.0 . 4.01 1566 1369 A 27 ILE H A 27 ILE HG1x 1.0 . 4.85 1567 1370 A 30 VAL H A 53 ILE HA 1.0 . 4.70 1568 1371 A 30 VAL H A 29 SER HBx 1.0 . 4.03 1569 1372 A 30 VAL H A 30 VAL HGy% 1.0 . 4.36 1570 1373 A 30 VAL H A 54 LEU HBy 1.0 . 4.15 1571 1374 A 128 TYR HBx A 129 ASN H 1.0 . 4.22 1572 1375 A 72 ALA H A 12 MET HA 1.0 . 5.24 1573 1376 A 72 ALA H A 73 ILE HD1% 1.0 . 5.50 1574 1377 A 95 TRP H A 95 TRP HBy 1.0 . 3.95 1575 1378 A 98 THR H A 97 VAL H 1.0 . 5.24 1576 1379 A 98 THR H A 15 VAL HA 1.0 . 5.04 1577 1380 A 98 THR H A 97 VAL HA 1.0 . 2.85 1578 1381 A 17 ILE HA A 98 THR H 1.0 . 4.58 1579 1382 A 98 THR HB A 98 THR H 1.0 . 3.58 1580 1383 A 97 VAL HB A 98 THR H 1.0 . 5.10 1581 1384 A 128 TYR H A 129 ASN H 1.0 . 4.66 1582 1385 A 128 TYR HD% A 129 ASN H 1.0 . 4.73 1583 1386 A 129 ASN H A 128 TYR HA 1.0 . 2.66 1584 1387 A 128 TYR HBy A 129 ASN H 1.0 . 3.72 1585 1388 A 15 VAL H A 75 PHE HD% 1.0 . 4.74 1586 1389 A 15 VAL H A 15 VAL HB 1.0 . 3.73 1587 1390 A 91 GLU H A 90 ASN HD2y 1.0 . 5.27 1588 1391 A 91 GLU H A 91 GLU HGx 1.0 . 4.09 1589 1392 A 106 ILE H A 107 GLU H 1.0 . 2.89 1590 1393 A 107 GLU H A 100 TYR HA 1.0 . 4.93 1591 1394 A 107 GLU H A 107 GLU HBy 1.0 . 4.02 1592 1395 A 107 GLU H A 105 GLU HGx 1.0 . 3.68 1593 1395 A 107 GLU H A 105 GLU HGy 1.0 . 3.68 1594 1396 A 48 LEU H A 49 ALA H 1.0 . 4.71 1595 1397 A 50 SER H A 49 ALA H 1.0 . 3.98 1596 1398 A 49 ALA H A 48 LEU HBx 1.0 . 3.30 1597 1398 A 48 LEU HBy A 49 ALA H 1.0 . 3.30 1598 1399 A 52 VAL H A 50 SER HA 1.0 . 4.03 1599 1400 A 101 LYS H A 100 TYR HD% 1.0 . 5.06 1600 1401 A 52 VAL H A 51 PRO HBy 1.0 . 4.33 1601 1402 A 101 LYS H A 105 GLU HA 1.0 . 4.32 1602 1403 A 100 TYR HBy A 101 LYS H 1.0 . 4.48 1603 1404 A 101 LYS H A 104 LYS H 1.0 . 3.73 1604 1405 A 101 LYS H A 106 ILE HG2% 1.0 . 4.57 1605 1406 A 17 ILE H A 65 THR H 1.0 . 4.85 1606 1407 A 16 THR HA A 65 THR H 1.0 . 4.90 1607 1408 A 65 THR HG2% A 65 THR H 1.0 . 4.46 1608 1409 A 41 ASP HBy A 43 ALA H 1.0 . 4.95 1609 1410 A 42 GLY H A 43 ALA H 1.0 . 3.40 1610 1411 A 45 GLY H A 43 ALA H 1.0 . 4.20 1611 1412 A 44 THR H A 43 ALA H 1.0 . 3.06 1612 1413 A 41 ASP HA A 43 ALA H 1.0 . 4.58 1613 1414 A 43 ALA H A 42 GLY HAx 1.0 . 3.53 1614 1414 A 43 ALA H A 42 GLY HAy 1.0 . 3.53 1615 1415 A 41 ASP HBx A 43 ALA H 1.0 . 5.17 1616 1416 A 44 THR HG2% A 43 ALA H 1.0 . 5.35 1617 1417 A 4 ASP HBy A 5 GLU H 1.0 . 4.65 1618 1418 A 6 PRO HBx A 5 GLU H 1.0 . 4.56 1619 1419 A 116 GLY H A 117 LYS H 1.0 . 3.81 1620 1420 A 83 ASP H A 117 LYS H 1.0 . 5.32 1621 1421 A 117 LYS H A 117 LYS HBy 1.0 . 3.41 1622 1422 A 117 LYS H A 117 LYS HGy 1.0 . 5.00 1623 1423 A 117 LYS H A 117 LYS HGx 1.0 . 5.00 1624 1424 A 59 LEU H A 60 ALA H 1.0 . 3.50 1625 1425 A 19 GLN HE2y A 60 ALA H 1.0 . 4.87 1626 1426 A 61 VAL H A 60 ALA H 1.0 . 3.34 1627 1427 A 58 GLU HA A 60 ALA H 1.0 . 4.56 1628 1428 A 59 LEU HBy A 60 ALA H 1.0 . 5.32 1629 1429 A 40 LYS H A 40 LYS HBy 1.0 . 3.36 1630 1430 A 40 LYS H A 40 LYS HBx 1.0 . 3.27 1631 1431 A 40 LYS H A 69 THR HG2% 1.0 . 4.10 1632 1432 A 40 LYS H A 66 LEU HDy% 1.0 . 4.00 1633 1433 A 31 VAL H A 78 SER H 1.0 . 3.78 1634 1434 A 78 SER H A 77 VAL HA 1.0 . 3.05 1635 1435 A 78 SER H A 31 VAL HB 1.0 . 4.25 1636 1436 A 106 ILE H A 100 TYR HA 1.0 . 3.77 1637 1437 A 24 ARG H A 25 SER HBx 1.0 . 5.24 1638 1437 A 24 ARG H A 25 SER HBy 1.0 . 5.24 1639 1438 A 111 LEU H A 112 VAL H 1.0 . 5.05 1640 1439 A 111 LEU HBy A 112 VAL H 1.0 . 4.23 1641 1440 A 111 LEU HBx A 112 VAL H 1.0 . 3.82 1642 1441 A 124 LEU H A 123 ASP H 1.0 . 3.48 1643 1442 A 122 ASP HA A 123 ASP H 1.0 . 3.54 1644 1443 A 123 ASP HBy A 123 ASP H 1.0 . 3.61 1645 1444 A 123 ASP HBx A 123 ASP H 1.0 . 4.02 1646 1445 A 24 ARG H A 25 SER H 1.0 . 3.48 1647 1446 A 24 ARG H A 24 ARG HBx 1.0 . 3.48 1648 1447 A 24 ARG H A 24 ARG HGx 1.0 . 3.67 1649 1448 A 24 ARG H A 26 PHE HD% 1.0 . 4.31 1650 1449 A 85 GLU H A 85 GLU HGy 1.0 . 4.38 1651 1450 A 14 GLU H A 100 TYR H 1.0 . 3.69 1652 1451 A 14 GLU H A 100 TYR HD% 1.0 . 5.29 1653 1452 A 14 GLU H A 101 LYS HA 1.0 . 5.31 1654 1453 A 14 GLU H A 100 TYR HBy 1.0 . 4.19 1655 1454 A 14 GLU H A 14 GLU HGy 1.0 . 5.10 1656 1455 A 14 GLU H A 14 GLU HBy 1.0 . 4.13 1657 1456 A 14 GLU H A 14 GLU HBx 1.0 . 3.99 1658 1457 A 14 GLU H A 13 TYR HBx 1.0 . 3.53 1659 1457 A 13 TYR HBy A 14 GLU H 1.0 . 3.53 1660 1458 A 14 GLU H A 99 VAL HGx% 1.0 . 4.98 1661 1459 A 122 ASP H A 123 ASP H 1.0 . 3.66 1662 1460 A 86 ASP H A 85 GLU H 1.0 . 4.51 1663 1461 A 85 GLU H A 84 GLY H 1.0 . 3.28 1664 1462 A 85 GLU H A 85 GLU HBy 1.0 . 3.52 1665 1463 A 39 LEU H A 48 LEU H 1.0 . 3.80 1666 1464 A 39 LEU H A 39 LEU HBy 1.0 . 3.60 1667 1465 A 39 LEU H A 39 LEU HDx% 1.0 . 4.18 1668 1466 A 39 LEU H A 38 GLN HA 1.0 . 3.26 1669 1467 A 95 TRP H A 96 VAL H 1.0 . 4.77 1670 1468 A 96 VAL H A 17 ILE HA 1.0 . 4.96 1671 1469 A 96 VAL H A 97 VAL HGx% 1.0 . 4.58 1672 1469 A 97 VAL HGy% A 96 VAL H 1.0 . 4.58 1673 1470 A 72 ALA H A 11 ALA H 1.0 . 3.35 1674 1471 A 11 ALA H A 10 GLY HAx 1.0 . 3.17 1675 1472 A 71 LYS HEx A 11 ALA H 1.0 . 3.28 1676 1473 A 11 ALA H A 71 LYS HDx 1.0 . 4.64 1677 1473 A 71 LYS HDy A 11 ALA H 1.0 . 4.64 1678 1474 A 46 GLU H A 45 GLY H 1.0 . 3.33 1679 1475 A 41 ASP HBy A 46 GLU H 1.0 . 3.60 1680 1476 A 46 GLU H A 46 GLU HBx 1.0 . 3.15 1681 1477 A 39 LEU H A 38 GLN H 1.0 . 4.64 1682 1478 A 39 LEU H A 38 GLN HBx 1.0 . 3.13 1683 1478 A 39 LEU H A 38 GLN HBy 1.0 . 3.13 1684 1479 A 18 GLU H A 96 VAL H 1.0 . 3.78 1685 1480 A 95 TRP HD1 A 96 VAL H 1.0 . 4.57 1686 1481 A 95 TRP HBx A 96 VAL H 1.0 . 4.44 1687 1482 A 96 VAL H A 18 GLU HBy 1.0 . 4.28 1688 1483 A 96 VAL H A 96 VAL HB 1.0 . 3.42 1689 1484 A 122 ASP H A 121 THR HG2% 1.0 . 5.01 1690 1485 A 46 GLU H A 44 THR HG2% 1.0 . 5.48 1691 1486 A 104 LYS H A 103 GLY H 1.0 . 3.18 1692 1487 A 104 LYS H A 100 TYR HD% 1.0 . 4.72 1693 1488 A 100 TYR HA A 104 LYS H 1.0 . 4.60 1694 1489 A 100 TYR HBx A 104 LYS H 1.0 . 4.28 1695 1490 A 104 LYS H A 104 LYS HBx 1.0 . 3.21 1696 1491 A 106 ILE HG2% A 104 LYS H 1.0 . 5.50 1697 1492 A 104 LYS H A 102 ASN H 1.0 . 5.27 1698 1493 A 71 LYS H A 72 ALA HA 1.0 . 5.50 1699 1494 A 71 LYS H A 70 GLY HAx 1.0 . 3.13 1700 1495 A 71 LYS H A 71 LYS HBy 1.0 . 3.26 1701 1496 A 71 LYS HBx A 71 LYS H 1.0 . 3.76 1702 1497 A 55 SER H A 55 SER HBx 1.0 . 4.04 1703 1498 A 55 SER H A 58 GLU HBy 1.0 . 4.35 1704 1499 A 72 ALA H A 71 LYS H 1.0 . 4.78 1705 1500 A 71 LYS H A 70 GLY H 1.0 . 4.45 1706 1501 A 55 SER H A 54 LEU HBy 1.0 . 4.52 1707 1502 A 54 LEU HBx A 55 SER H 1.0 . 4.26 1708 1503 A 54 LEU H A 55 SER H 1.0 . 4.85 1709 1504 A 55 SER H A 57 GLU H 1.0 . 4.78 1710 1505 A 73 ILE H A 36 GLY H 1.0 . 4.95 1711 1506 A 73 ILE H A 73 ILE HG1x 1.0 . 3.72 1712 1507 A 73 ILE H A 73 ILE HG2% 1.0 . 4.68 1713 1508 A 110 SER H A 109 LYS HA 1.0 . 2.80 1714 1509 A 120 SER H A 119 ILE HG1y 1.0 . 4.26 1715 1510 A 120 SER H A 119 ILE HG1x 1.0 . 4.79 1716 1511 A 81 VAL H A 82 VAL H 1.0 . 5.02 1717 1512 A 82 VAL H A 26 PHE HBx 1.0 . 5.05 1718 1513 A 9 LYS H A 10 GLY H 1.0 . 4.10 1719 1514 A 9 LYS H A 8 GLY HAx 1.0 . 2.94 1720 1515 A 9 LYS H A 9 LYS HBx 1.0 . 3.26 1721 1516 A 114 ARG H A 114 ARG HBx 1.0 . 3.82 1722 1517 A 56 ASP H A 28 LYS H 1.0 . 5.16 1723 1518 A 56 ASP H A 59 LEU H 1.0 . 4.97 1724 1519 A 56 ASP H A 55 SER HBy 1.0 . 3.07 1725 1520 A 56 ASP H A 55 SER HBx 1.0 . 3.38 1726 1521 A 56 ASP H A 56 ASP HBx 1.0 . 3.11 1727 1522 A 56 ASP H A 55 SER H 1.0 . 4.95 1728 1523 A 35 ASN H A 34 ALA H 1.0 . 4.41 1729 1524 A 35 ASN H A 73 ILE H 1.0 . 5.24 1730 1525 A 75 PHE HD% A 35 ASN H 1.0 . 5.40 1731 1526 A 35 ASN H A 33 VAL HGx% 1.0 . 4.41 1732 1526 A 35 ASN H A 33 VAL HGy% 1.0 . 4.41 1733 1527 A 114 ARG H A 114 ARG HDx 1.0 . 5.17 1734 1527 A 114 ARG HDy A 114 ARG H 1.0 . 5.17 1735 1528 A 114 ARG H A 112 VAL HGx% 1.0 . 5.50 1736 1528 A 112 VAL HGy% A 114 ARG H 1.0 . 5.50 1737 1529 A 4 ASP H A 3 ASP H 1.0 . 4.04 1738 1530 A 4 ASP H A 4 ASP HBx 1.0 . 3.70 1739 1531 A 93 MET HBx A 94 GLN H 1.0 . 4.64 1740 1532 A 94 GLN H A 20 SER H 1.0 . 3.73 1741 1533 A 77 VAL H A 126 LEU H 1.0 . 3.82 1742 1534 A 77 VAL H A 77 VAL HB 1.0 . 3.57 1743 1535 A 77 VAL H A 126 LEU HDy% 1.0 . 5.18 1744 1535 A 77 VAL H A 126 LEU HDx% 1.0 . 5.18 1745 1536 A 38 GLN H A 69 THR H 1.0 . 3.91 1746 1537 A 38 GLN H A 70 GLY H 1.0 . 4.22 1747 1538 A 38 GLN H A 37 THR HA 1.0 . 3.46 1748 1539 A 38 GLN H A 37 THR HB 1.0 . 4.03 1749 1540 A 38 GLN H A 38 GLN HBx 1.0 . 3.45 1750 1540 A 38 GLN H A 38 GLN HBy 1.0 . 3.45 1751 1541 A 3 ASP H A 2 ASP H 1.0 . 3.93 1752 1542 A 3 ASP HBx A 3 ASP H 1.0 . 4.14 1753 1543 A 21 GLY HAx A 94 GLN H 1.0 . 5.50 1754 1544 A 14 GLU H A 13 TYR H 1.0 . 5.50 1755 1545 A 88 VAL H A 86 ASP HA 1.0 . 4.64 1756 1546 A 88 VAL H A 85 GLU HBy 1.0 . 4.98 1757 1547 A 14 GLU HA A 13 TYR H 1.0 . 5.12 1758 1548 A 13 TYR H A 13 TYR HBx 1.0 . 3.26 1759 1548 A 13 TYR HBy A 13 TYR H 1.0 . 3.26 1760 1549 A 58 GLU H A 55 SER HA 1.0 . 5.38 1761 1550 A 27 ILE H A 26 PHE H 1.0 . 5.28 1762 1551 A 26 PHE H A 25 SER H 1.0 . 3.38 1763 1552 A 26 PHE H A 27 ILE HA 1.0 . 4.71 1764 1553 A 26 PHE HBy A 26 PHE H 1.0 . 3.63 1765 1554 A 24 ARG HA A 26 PHE H 1.0 . 4.83 1766 1555 A 12 MET HBy A 13 TYR H 1.0 . 4.67 1767 1556 A 58 GLU H A 55 SER H 1.0 . 4.00 1768 1557 A 58 GLU H A 60 ALA H 1.0 . 5.08 1769 1558 A 58 GLU H A 54 LEU HA 1.0 . 5.21 1770 1559 A 58 GLU H A 58 GLU HBy 1.0 . 3.12 1771 1560 A 58 GLU H A 57 GLU HBy 1.0 . 3.49 1772 1561 A 58 GLU H A 60 ALA HB% 1.0 . 5.50 1773 1562 A 58 GLU H A 56 ASP HA 1.0 . 5.24 1774 1563 A 16 THR H A 98 THR H 1.0 . 3.62 1775 1564 A 16 THR H A 100 TYR HD% 1.0 . 4.70 1776 1565 A 16 THR H A 97 VAL HA 1.0 . 4.14 1777 1566 A 16 THR HB A 16 THR H 1.0 . 3.70 1778 1567 A 15 VAL HB A 16 THR H 1.0 . 4.28 1779 1568 A 16 THR H A 16 THR HG2% 1.0 . 4.35 1780 1569 A 12 MET H A 102 ASN H 1.0 . 4.18 1781 1570 A 12 MET H A 71 LYS HA 1.0 . 5.34 1782 1571 A 12 MET H A 12 MET HBx 1.0 . 3.50 1783 1572 A 11 ALA HB% A 12 MET H 1.0 . 3.57 1784 1573 A 48 LEU H A 47 SER H 1.0 . 4.75 1785 1574 A 46 GLU H A 47 SER H 1.0 . 4.51 1786 1575 A 47 SER H A 47 SER HBy 1.0 . 3.12 1787 1576 A 46 GLU HBy A 47 SER H 1.0 . 3.45 1788 1577 A 62 GLU H A 61 VAL H 1.0 . 5.01 1789 1578 A 57 GLU H A 55 SER HA 1.0 . 4.96 1790 1579 A 125 ASN H A 124 LEU H 1.0 . 4.45 1791 1580 A 78 SER HA A 124 LEU H 1.0 . 5.03 1792 1581 A 124 LEU HBy A 124 LEU H 1.0 . 3.92 1793 1582 A 124 LEU HBx A 124 LEU H 1.0 . 3.95 1794 1583 A 124 LEU H A 124 LEU HDx% 1.0 . 5.50 1795 1584 A 115 ASP H A 116 GLY H 1.0 . 5.25 1796 1585 A 115 ASP H A 115 ASP HBy 1.0 . 3.77 1797 1586 A 115 ASP H A 114 ARG HBy 1.0 . 3.64 1798 1587 A 115 ASP H A 114 ARG HBx 1.0 . 4.31 1799 1588 A 58 GLU H A 57 GLU H 1.0 . 3.21 1800 1589 A 58 GLU HGy A 57 GLU H 1.0 . 3.72 1801 1590 A 57 GLU H A 57 GLU HBy 1.0 . 2.96 1802 1591 A 63 LYS H A 61 VAL HA 1.0 . 4.55 1803 1592 A 63 LYS H A 62 GLU H 1.0 . 3.29 1804 1593 A 63 LYS H A 63 LYS HBx 1.0 . 3.17 1805 1594 A 114 ARG HA A 93 MET H 1.0 . 5.17 1806 1595 A 55 SER H A 59 LEU H 1.0 . 4.82 1807 1596 A 58 GLU HBy A 59 LEU H 1.0 . 3.82 1808 1597 A 59 LEU HBy A 59 LEU H 1.0 . 3.79 1809 1598 A 59 LEU HBx A 59 LEU H 1.0 . 3.40 1810 1599 A 57 GLU H A 59 LEU H 1.0 . 4.48 1811 1600 A 61 VAL H A 59 LEU H 1.0 . 5.40 1812 1601 A 93 MET H A 94 GLN HGx 1.0 . 4.32 1813 1601 A 94 GLN HGy A 93 MET H 1.0 . 4.32 1814 1602 A 93 MET H A 92 PRO HBx 1.0 . 4.56 1815 1602 A 93 MET H A 92 PRO HBy 1.0 . 4.56 1816 1603 A 93 MET HGy A 93 MET H 1.0 . 4.31 1817 1604 A 93 MET H A 112 VAL HGx% 1.0 . 5.08 1818 1604 A 112 VAL HGy% A 93 MET H 1.0 . 5.08 1819 1605 A 22 ASP H A 23 PHE H 1.0 . 4.55 1820 1606 A 24 ARG H A 23 PHE H 1.0 . 3.69 1821 1607 A 23 PHE HD% A 23 PHE H 1.0 . 3.25 1822 1608 A 23 PHE H A 22 ASP HA 1.0 . 3.08 1823 1609 A 23 PHE HBy A 23 PHE H 1.0 . 4.04 1824 1610 A 23 PHE HBx A 23 PHE H 1.0 . 3.69 1825 1611 A 93 MET HBy A 23 PHE H 1.0 . 5.19 1826 1612 A 26 PHE HD% A 84 GLY H 1.0 . 5.42 1827 1613 A 83 ASP HBx A 84 GLY H 1.0 . 5.05 1828 1614 A 82 VAL HGy% A 84 GLY H 1.0 . 5.40 1829 1615 A 116 GLY H A 83 ASP HBx 1.0 . 4.32 1830 1616 A 42 GLY H A 67 SER H 1.0 . 5.21 1831 1617 A 42 GLY H A 66 LEU HA 1.0 . 4.18 1832 1618 A 65 THR HG2% A 42 GLY H 1.0 . 5.20 1833 1619 A 40 LYS H A 69 THR H 1.0 . 4.81 1834 1620 A 69 THR H A 38 GLN HBx 1.0 . 5.22 1835 1620 A 38 GLN HBy A 69 THR H 1.0 . 5.22 1836 1621 A 69 THR H A 68 THR HA 1.0 . 2.89 1837 1622 A 69 THR H A 69 THR HB 1.0 . 4.14 1838 1623 A 39 LEU HDx% A 69 THR H 1.0 . 4.65 1839 1624 A 42 GLY H A 44 THR H 1.0 . 5.11 1840 1625 A 41 ASP HBy A 42 GLY H 1.0 . 5.03 1841 1626 A 120 SER H A 121 THR H 1.0 . 4.30 1842 1627 A 121 THR H A 120 SER HBy 1.0 . 4.14 1843 1628 A 81 VAL H A 82 VAL HGy% 1.0 . 5.50 1844 1629 A 80 GLY HAy A 81 VAL H 1.0 . 3.31 1845 1630 A 73 ILE H A 74 GLU H 1.0 . 3.06 1846 1631 A 35 ASN H A 74 GLU H 1.0 . 3.78 1847 1632 A 35 ASN HBy A 74 GLU H 1.0 . 3.65 1848 1633 A 74 GLU H A 73 ILE HG1y 1.0 . 4.87 1849 1634 A 102 ASN HD2y A 101 LYS HGy 1.0 . 5.12 1850 1635 A 74 GLU H A 73 ILE HG2% 1.0 . 5.37 1851 1636 A 102 ASN HD2x A 11 ALA HA 1.0 . 4.69 1852 1637 A 102 ASN HD2y A 11 ALA HA 1.0 . 5.12 1853 1638 A 65 THR HG2% A 67 SER H 1.0 . 5.30 1854 1639 A 23 PHE HBx A 20 SER H 1.0 . 5.02 1855 1640 A 40 LYS H A 67 SER H 1.0 . 3.47 1856 1641 A 67 SER H A 66 LEU HA 1.0 . 2.77 1857 1642 A 66 LEU HBy A 67 SER H 1.0 . 4.12 1858 1643 A 66 LEU HBx A 67 SER H 1.0 . 3.67 1859 1644 A 95 TRP HD1 A 20 SER H 1.0 . 4.77 1860 1645 A 23 PHE HD% A 20 SER H 1.0 . 5.02 1861 1646 A 20 SER H A 19 GLN HA 1.0 . 3.08 1862 1647 A 94 GLN HBy A 20 SER H 1.0 . 4.75 1863 1648 A 19 GLN HBy A 20 SER H 1.0 . 4.14 1864 1649 A 14 GLU HBy A 68 THR H 1.0 . 4.99 1865 1650 A 13 TYR H A 68 THR H 1.0 . 4.08 1866 1651 A 67 SER HA A 68 THR H 1.0 . 2.92 1867 1652 A 68 THR H A 67 SER HBx 1.0 . 3.72 1868 1653 A 68 THR H A 37 THR HG2% 1.0 . 5.50 1869 1654 A 39 LEU HDx% A 68 THR H 1.0 . 4.82 1870 1655 A 29 SER H A 28 LYS HA 1.0 . 2.99 1871 1656 A 29 SER H A 29 SER HBx 1.0 . 3.64 1872 1657 A 28 LYS HBy A 29 SER H 1.0 . 5.45 1873 1658 A 29 SER H A 30 VAL HGy% 1.0 . 4.96 1874 1659 A 81 VAL HGx% A 29 SER H 1.0 . 5.50 1875 1660 A 37 THR H A 36 GLY H 1.0 . 3.24 1876 1661 A 38 GLN H A 37 THR H 1.0 . 5.25 1877 1662 A 37 THR H A 37 THR HB 1.0 . 3.90 1878 1663 A 90 ASN HD2y A 25 SER HBx 1.0 . 4.61 1879 1663 A 90 ASN HD2y A 25 SER HBy 1.0 . 4.61 1880 1664 A 23 PHE HA A 25 SER H 1.0 . 4.73 1881 1665 A 25 SER H A 25 SER HBx 1.0 . 3.31 1882 1665 A 25 SER HBy A 25 SER H 1.0 . 3.31 1883 1666 A 24 ARG HBx A 25 SER H 1.0 . 4.88 1884 1667 A 35 ASN H A 36 GLY H 1.0 . 4.92 1885 1668 A 35 ASN HA A 36 GLY H 1.0 . 2.90 1886 1669 A 35 ASN HBy A 36 GLY H 1.0 . 4.48 1887 1670 A 35 ASN HBx A 36 GLY H 1.0 . 4.57 1888 1671 A 37 THR HG2% A 36 GLY H 1.0 . 5.50 1889 1672 A 50 SER H A 38 GLN HE2y 1.0 . 5.50 1890 1673 A 69 THR H A 70 GLY H 1.0 . 3.14 1891 1674 A 68 THR HB A 70 GLY H 1.0 . 3.35 1892 1675 A 125 ASN HD2y A 125 ASN HA 1.0 . 4.21 1893 1676 A 70 GLY H A 37 THR HG2% 1.0 . 4.04 1894 1677 A 50 SER H A 51 PRO HA 1.0 . 4.90 1895 1678 A 50 SER H A 50 SER HBy 1.0 . 3.30 1896 1679 A 50 SER H A 49 ALA HB% 1.0 . 3.73 1897 1680 A 39 LEU HDx% A 50 SER H 1.0 . 5.16 1898 1681 A 125 ASN HD2y A 126 LEU H 1.0 . 5.50 1899 1682 A 125 ASN HBy A 125 ASN HD2y 1.0 . 4.01 1900 1683 A 19 GLN HE2x A 59 LEU HDx% 1.0 . 5.50 1901 1684 A 35 ASN HBx A 35 ASN HD2y 1.0 . 3.64 1902 1685 A 35 ASN HD2y A 74 GLU HGx 1.0 . 4.36 1903 1686 A 35 ASN HD2y A 74 GLU HBx 1.0 . 4.22 1904 1687 A 35 ASN HD2y A 73 ILE HG1y 1.0 . 5.24 1905 1688 A 35 ASN HD2y A 73 ILE HD1% 1.0 . 5.50 1906 1689 A 19 GLN HE2x A 19 GLN HBx 1.0 . 4.03 1907 1690 A 45 GLY H A 44 THR H 1.0 . 2.83 1908 1691 A 41 ASP HBy A 45 GLY H 1.0 . 4.28 1909 1692 A 41 ASP HBx A 45 GLY H 1.0 . 5.12 1910 1693 A 38 GLN HA A 38 GLN HE2y 1.0 . 5.49 1911 1694 A 49 ALA HA A 38 GLN HE2y 1.0 . 4.74 1912 1695 A 129 ASN HD2y A 129 ASN HA 1.0 . 5.28 1913 1696 A 129 ASN HD2y A 129 ASN HBx 1.0 . 4.06 1914 1697 A 7 GLY H A 8 GLY H 1.0 . 3.79 1915 1698 A 22 ASP H A 21 GLY H 1.0 . 4.91 1916 1699 A 86 ASP H A 87 GLY H 1.0 . 3.72 1917 1700 A 87 GLY H A 88 VAL H 1.0 . 3.53 1918 1701 A 88 VAL HGx% A 87 GLY H 1.0 . 5.50 1919 1702 A 9 LYS HA A 8 GLY H 1.0 . 5.05 1920 1703 A 8 GLY H A 7 GLY HAx 1.0 . 2.87 1921 1703 A 7 GLY HAy A 8 GLY H 1.0 . 2.87 1922 1704 A 78 SER H A 79 GLY H 1.0 . 5.05 1923 1705 A 124 LEU H A 79 GLY H 1.0 . 4.09 1924 1706 A 79 GLY H A 78 SER HBx 1.0 . 3.39 1925 1706 A 78 SER HBy A 79 GLY H 1.0 . 3.39 1926 1707 A 124 LEU HBy A 79 GLY H 1.0 . 3.67 1927 1708 A 124 LEU HBx A 79 GLY H 1.0 . 3.89 1928 1709 A 124 LEU HDy% A 79 GLY H 1.0 . 5.38 1929 1710 A 71 LYS HEx A 10 GLY H 1.0 . 3.13 1930 1711 A 9 LYS HBy A 10 GLY H 1.0 . 3.77 1931 1712 A 10 GLY H A 9 LYS HBx 1.0 . 4.32 1932 1713 A 11 ALA HB% A 10 GLY H 1.0 . 5.00 1933 1714 A 81 VAL HGx% A 80 GLY H 1.0 . 5.50 1934 1715 A 29 SER H A 80 GLY H 1.0 . 3.78 1935 1716 A 81 VAL H A 80 GLY H 1.0 . 4.87 1936 1717 A 80 GLY H A 79 GLY HAx 1.0 . 3.05 1937 1717 A 79 GLY HAy A 80 GLY H 1.0 . 3.05 1938 1718 A 80 GLY H A 30 VAL HGy% 1.0 . 4.79 1939 1719 A 45 GLY HAy A 44 THR H 1.0 . 4.74 1940 1720 A 45 GLY HAx A 44 THR H 1.0 . 4.23 1941 1721 A 41 ASP HBy A 44 THR H 1.0 . 4.30 1942 1722 A 41 ASP HBx A 44 THR H 1.0 . 5.02 1943 1723 A 102 ASN HBy A 103 GLY H 1.0 . 4.85 1944 1724 A 102 ASN HBx A 103 GLY H 1.0 . 4.54 1945 1725 A 100 TYR HBx A 103 GLY H 1.0 . 4.44 1946 1726 A 102 ASN H A 103 GLY H 1.0 . 3.80 1947 1727 A 95 TRP HZ2 A 29 SER H 1.0 . 5.50 1948 1728 A 128 TYR HD% A 75 PHE HBx 1.0 . 4.13 1949 1728 A 75 PHE HBy A 128 TYR HD% 1.0 . 4.13 1950 1729 A 75 PHE H A 128 TYR HD% 1.0 . 5.50 1951 1730 A 127 TYR H A 127 TYR HD% 1.0 . 4.88 1952 1731 A 106 ILE H A 100 TYR HD% 1.0 . 5.11 1953 1732 A 104 LYS HA A 100 TYR HD% 1.0 . 5.49 1954 1733 A 14 GLU HBx A 100 TYR HD% 1.0 . 4.43 1955 1734 A 26 PHE HD% A 26 PHE HA 1.0 . 5.50 1956 1735 A 23 PHE HE% A 24 ARG HGy 1.0 . 5.50 1957 1736 A 23 PHE HE% A 23 PHE H 1.0 . 4.95 1958 1737 A 23 PHE HD% A 24 ARG HGy 1.0 . 5.50 1959 1738 A 75 PHE HD% A 128 TYR HD% 1.0 . 3.94 1960 1739 A 111 LEU HBy A 113 PHE HD% 1.0 . 5.50 1961 1740 A 111 LEU HBx A 113 PHE HD% 1.0 . 5.50 1962 1741 A 128 TYR HBy A 75 PHE HD% 1.0 . 5.50 1963 1742 A 26 PHE HE% A 93 MET H 1.0 . 5.50 1964 1743 A 26 PHE HE% A 93 MET HBx 1.0 . 5.50 1965 1744 A 83 ASP HBx A 26 PHE HE% 1.0 . 5.02 1966 1745 A 100 TYR H A 100 TYR HE% 1.0 . 5.09 1967 1746 A 128 TYR HE% A 107 GLU HBx 1.0 . 4.10 1968 1747 A 128 TYR HE% A 126 LEU HDx% 1.0 . 3.98 1969 1748 A 128 TYR HE% A 99 VAL HA 1.0 . 5.50 1970 1749 A 74 GLU H A 13 TYR HE% 1.0 . 4.55 stop_ save_