data_nef_c19234_2mgr 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 19233 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 VAL middle . . 3 A 3 ASP middle . . 4 A 4 PRO middle . false 5 A 5 LYS middle . . 6 A 6 HIS middle . . 7 A 7 VAL middle . . 8 A 8 CYS middle . . 9 A 9 VAL middle . . 10 A 10 ASP middle . . 11 A 11 THR middle . . 12 A 12 ARG middle . . 13 A 13 ASP middle . . 14 A 14 ILE middle . . 15 A 15 PRO middle . false 16 A 16 LYS middle . . 17 A 17 ASN middle . . 18 A 18 ALA middle . . 19 A 19 GLY middle . false 20 A 20 CYS middle . . 21 A 21 PHE middle . . 22 A 22 ARG middle . . 23 A 23 ASP middle . . 24 A 24 ASP middle . . 25 A 25 ASP middle . . 26 A 26 GLY middle . false 27 A 27 THR middle . . 28 A 28 LYS middle . . 29 A 29 GLU middle . . 30 A 30 TRP middle . . 31 A 31 ARG middle . . 32 A 32 CYS middle . . 33 A 33 LEU middle . . 34 A 34 LEU middle . . 35 A 35 GLY middle . false 36 A 36 TYR middle . . 37 A 37 LYS middle . . 38 A 38 LYS middle . . 39 A 39 GLY middle . false 40 A 40 GLU middle . . 41 A 41 GLY middle . false 42 A 42 ASN middle . . 43 A 43 THR middle . . 44 A 44 CYS middle . . 45 A 45 VAL middle . . 46 A 46 GLU middle . . 47 A 47 ASN middle . . 48 A 48 ASN middle . . 49 A 49 ASN middle . . 50 A 50 PRO middle . false 51 A 51 THR middle . . 52 A 52 CYS middle . . 53 A 53 ASP middle . . 54 A 54 ILE middle . . 55 A 55 ASN middle . . 56 A 56 ASN middle . . 57 A 57 GLY middle . false 58 A 58 GLY middle . false 59 A 59 CYS middle . . 60 A 60 ASP middle . . 61 A 61 PRO middle . false 62 A 62 THR middle . . 63 A 63 ALA middle . . 64 A 64 SER middle . . 65 A 65 CYS middle . . 66 A 66 GLN middle . . 67 A 67 ASN middle . . 68 A 68 ALA middle . . 69 A 69 GLU middle . . 70 A 70 SER middle . . 71 A 71 THR middle . . 72 A 72 GLU middle . . 73 A 73 ASN middle . . 74 A 74 SER middle . . 75 A 75 LYS middle . . 76 A 76 LYS middle . . 77 A 77 ILE middle . . 78 A 78 ILE middle . . 79 A 79 CYS middle . . 80 A 80 THR middle . . 81 A 81 CYS middle . . 82 A 82 LYS middle . . 83 A 83 GLU middle . . 84 A 84 PRO middle . false 85 A 85 THR middle . . 86 A 86 PRO middle . false 87 A 87 ASN middle . . 88 A 88 ALA middle . . 89 A 89 TYR middle . . 90 A 90 TYR middle . . 91 A 91 GLU middle . . 92 A 92 GLY middle . false 93 A 93 VAL middle . . 94 A 94 PHE middle . . 95 A 95 CYS middle . . 96 A 96 SER middle . . 97 A 97 SER middle . . 98 A 98 SER middle . . 99 A 99 SER 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 GLY H1 H 1 8.454 0.025 A 1 GLY HAx H 1 3.906 0.025 A 1 GLY HAy H 1 3.937 0.025 A 1 GLY CA C 13 45.228 0.10 A 1 GLY N N 15 110.312 0.10 A 2 VAL H H 1 7.919 0.025 A 2 VAL HA H 1 4.017 0.025 A 2 VAL HB H 1 1.962 0.025 A 2 VAL HGx% H 1 0.792 0.025 A 2 VAL HGy% H 1 0.815 0.025 A 2 VAL CA C 13 62.140 0.10 A 2 VAL CB C 13 32.905 0.10 A 2 VAL CG1 C 13 21.190 0.10 A 2 VAL CG2 C 13 20.158 0.10 A 2 VAL N N 15 118.607 0.10 A 3 ASP H H 1 8.341 0.025 A 3 ASP HA H 1 4.886 0.025 A 3 ASP HBy H 1 2.867 0.025 A 3 ASP HBx H 1 2.655 0.025 A 3 ASP CA C 13 51.778 0.10 A 3 ASP CB C 13 42.025 0.10 A 3 ASP N N 15 126.405 0.10 A 4 PRO HA H 1 3.740 0.025 A 4 PRO HBx H 1 1.640 0.025 A 4 PRO HBy H 1 2.066 0.025 A 4 PRO HDx H 1 3.142 0.025 A 4 PRO HDy H 1 3.610 0.025 A 4 PRO HGy H 1 2.099 0.025 A 4 PRO HGx H 1 1.797 0.025 A 4 PRO CA C 13 64.940 0.10 A 4 PRO CB C 13 33.067 0.10 A 4 PRO CD C 13 49.923 0.10 A 4 PRO CG C 13 26.247 0.10 A 5 LYS H H 1 8.459 0.025 A 5 LYS HA H 1 3.998 0.025 A 5 LYS HBx H 1 1.349 0.025 A 5 LYS HBy H 1 1.559 0.025 A 5 LYS HDx H 1 1.517 0.025 A 5 LYS HDy H 1 1.517 0.025 A 5 LYS HEy H 1 2.843 0.025 A 5 LYS HEx H 1 2.841 0.025 A 5 LYS HGy H 1 1.011 0.025 A 5 LYS HGx H 1 0.780 0.025 A 5 LYS CA C 13 58.117 0.10 A 5 LYS CB C 13 31.974 0.10 A 5 LYS CD C 13 29.086 0.10 A 5 LYS CE C 13 41.860 0.10 A 5 LYS CG C 13 24.219 0.10 A 5 LYS N N 15 119.198 0.10 A 6 HIS H H 1 7.911 0.025 A 6 HIS HA H 1 4.961 0.025 A 6 HIS HBy H 1 2.567 0.025 A 6 HIS HBx H 1 2.239 0.025 A 6 HIS HD2 H 1 7.374 0.025 A 6 HIS HE1 H 1 8.814 0.025 A 6 HIS CA C 13 54.675 0.10 A 6 HIS CB C 13 28.584 0.10 A 6 HIS CD2 C 13 121.127 0.10 A 6 HIS CE1 C 13 106.768 0.10 A 6 HIS N N 15 113.070 0.10 A 7 VAL H H 1 7.285 0.025 A 7 VAL HA H 1 4.092 0.025 A 7 VAL HB H 1 2.003 0.025 A 7 VAL HGx% H 1 1.023 0.025 A 7 VAL HGy% H 1 0.927 0.025 A 7 VAL CA C 13 62.170 0.10 A 7 VAL CB C 13 32.807 0.10 A 7 VAL CG1 C 13 21.985 0.10 A 7 VAL CG2 C 13 20.818 0.10 A 7 VAL N N 15 122.282 0.10 A 8 CYS H H 1 9.204 0.025 A 8 CYS HA H 1 4.328 0.025 A 8 CYS HBx H 1 3.025 0.025 A 8 CYS HBy H 1 3.307 0.025 A 8 CYS CA C 13 54.583 0.10 A 8 CYS CB C 13 41.450 0.10 A 8 CYS N N 15 125.299 0.10 A 9 VAL H H 1 8.487 0.025 A 9 VAL HA H 1 3.926 0.025 A 9 VAL HB H 1 2.117 0.025 A 9 VAL HGx% H 1 0.950 0.025 A 9 VAL HGy% H 1 0.951 0.025 A 9 VAL CA C 13 64.265 0.10 A 9 VAL CB C 13 32.046 0.10 A 9 VAL CG1 C 13 20.997 0.10 A 9 VAL CG2 C 13 21.054 0.10 A 9 VAL N N 15 123.365 0.10 A 10 ASP H H 1 8.050 0.025 A 10 ASP HA H 1 4.842 0.025 A 10 ASP HBx H 1 2.655 0.025 A 10 ASP HBy H 1 2.825 0.025 A 10 ASP CA C 13 53.435 0.10 A 10 ASP CB C 13 42.006 0.10 A 10 ASP N N 15 120.126 0.10 A 11 THR H H 1 8.547 0.025 A 11 THR HA H 1 4.465 0.025 A 11 THR HB H 1 4.563 0.025 A 11 THR HG2% H 1 1.155 0.025 A 11 THR CA C 13 60.354 0.10 A 11 THR CB C 13 68.415 0.10 A 11 THR CG2 C 13 21.891 0.10 A 11 THR N N 15 113.904 0.10 A 12 ARG H H 1 8.264 0.025 A 12 ARG HA H 1 4.064 0.025 A 12 ARG HBy H 1 1.869 0.025 A 12 ARG HBx H 1 1.786 0.025 A 12 ARG HDx H 1 3.208 0.025 A 12 ARG HDy H 1 3.228 0.025 A 12 ARG HGx H 1 1.666 0.025 A 12 ARG HGy H 1 1.711 0.025 A 12 ARG CA C 13 58.839 0.10 A 12 ARG CB C 13 29.703 0.10 A 12 ARG CD C 13 43.386 0.10 A 12 ARG CG C 13 27.059 0.10 A 12 ARG N N 15 123.422 0.10 A 13 ASP H H 1 8.612 0.025 A 13 ASP HA H 1 4.408 0.025 A 13 ASP HBy H 1 2.760 0.025 A 13 ASP HBx H 1 2.669 0.025 A 13 ASP CA C 13 53.722 0.10 A 13 ASP CB C 13 39.832 0.10 A 13 ASP N N 15 115.753 0.10 A 14 ILE H H 1 7.227 0.025 A 14 ILE HA H 1 3.970 0.025 A 14 ILE HB H 1 1.976 0.025 A 14 ILE HD1% H 1 0.700 0.025 A 14 ILE HG1y H 1 1.371 0.025 A 14 ILE HG1x H 1 1.106 0.025 A 14 ILE HG2% H 1 0.669 0.025 A 14 ILE CA C 13 55.842 0.10 A 14 ILE CB C 13 36.441 0.10 A 14 ILE CD1 C 13 10.793 0.10 A 14 ILE CG1 C 13 26.340 0.10 A 14 ILE CG2 C 13 16.113 0.10 A 14 ILE N N 15 121.058 0.10 A 15 PRO HA H 1 4.010 0.025 A 15 PRO HBy H 1 1.928 0.025 A 15 PRO HBx H 1 1.047 0.025 A 15 PRO HDx H 1 1.713 0.025 A 15 PRO HDy H 1 2.555 0.025 A 15 PRO HGx H 1 -0.221 0.025 A 15 PRO HGy H 1 0.729 0.025 A 15 PRO CA C 13 62.537 0.10 A 15 PRO CB C 13 31.977 0.10 A 15 PRO CD C 13 50.161 0.10 A 15 PRO CG C 13 26.187 0.10 A 16 LYS H H 1 7.921 0.025 A 16 LYS HA H 1 3.975 0.025 A 16 LYS HBy H 1 1.666 0.025 A 16 LYS HBx H 1 1.588 0.025 A 16 LYS HDy H 1 1.672 0.025 A 16 LYS HDx H 1 1.670 0.025 A 16 LYS HEx H 1 2.997 0.025 A 16 LYS HEy H 1 2.999 0.025 A 16 LYS HGx H 1 1.402 0.025 A 16 LYS HGy H 1 1.461 0.025 A 16 LYS CA C 13 56.844 0.10 A 16 LYS CB C 13 32.152 0.10 A 16 LYS CD C 13 28.977 0.10 A 16 LYS CE C 13 42.123 0.10 A 16 LYS CG C 13 24.892 0.10 A 16 LYS N N 15 120.669 0.10 A 17 ASN H H 1 8.791 0.025 A 17 ASN HA H 1 3.743 0.025 A 17 ASN HBy H 1 2.410 0.025 A 17 ASN HBx H 1 1.140 0.025 A 17 ASN HD2y H 1 7.055 0.025 A 17 ASN HD2x H 1 6.836 0.025 A 17 ASN CA C 13 54.948 0.10 A 17 ASN CB C 13 35.957 0.10 A 17 ASN N N 15 115.250 0.10 A 17 ASN ND2 N 15 115.263 0.10 A 18 ALA H H 1 7.181 0.025 A 18 ALA HA H 1 5.056 0.025 A 18 ALA HB% H 1 1.285 0.025 A 18 ALA CA C 13 50.572 0.10 A 18 ALA CB C 13 24.120 0.10 A 18 ALA N N 15 115.603 0.10 A 19 GLY H H 1 8.862 0.025 A 19 GLY HAx H 1 2.241 0.025 A 19 GLY HAy H 1 4.121 0.025 A 19 GLY CA C 13 43.276 0.10 A 19 GLY N N 15 106.045 0.10 A 20 CYS H H 1 8.169 0.025 A 20 CYS HA H 1 5.433 0.025 A 20 CYS HBx H 1 2.686 0.025 A 20 CYS HBy H 1 3.285 0.025 A 20 CYS CA C 13 55.474 0.10 A 20 CYS CB C 13 40.617 0.10 A 20 CYS N N 15 120.801 0.10 A 21 PHE H H 1 9.337 0.025 A 21 PHE HA H 1 4.445 0.025 A 21 PHE HBy H 1 1.820 0.025 A 21 PHE HBx H 1 1.060 0.025 A 21 PHE HDx H 1 6.460 0.025 A 21 PHE HDy H 1 6.460 0.025 A 21 PHE HEx H 1 6.306 0.025 A 21 PHE HEy H 1 6.306 0.025 A 21 PHE HZ H 1 6.178 0.025 A 21 PHE CA C 13 57.290 0.10 A 21 PHE CB C 13 42.551 0.10 A 21 PHE CD1 C 13 131.892 0.10 A 21 PHE CE1 C 13 130.782 0.10 A 21 PHE CZ C 13 128.267 0.10 A 21 PHE N N 15 134.016 0.10 A 22 ARG H H 1 7.409 0.025 A 22 ARG HA H 1 4.834 0.025 A 22 ARG HBx H 1 1.123 0.025 A 22 ARG HBy H 1 1.294 0.025 A 22 ARG HDx H 1 3.103 0.025 A 22 ARG HDy H 1 3.162 0.025 A 22 ARG HGx H 1 1.266 0.025 A 22 ARG HGy H 1 1.536 0.025 A 22 ARG CA C 13 53.820 0.10 A 22 ARG CB C 13 31.761 0.10 A 22 ARG CD C 13 43.782 0.10 A 22 ARG CG C 13 27.362 0.10 A 22 ARG N N 15 128.547 0.10 A 23 ASP H H 1 8.890 0.025 A 23 ASP HA H 1 4.669 0.025 A 23 ASP HBx H 1 3.115 0.025 A 23 ASP HBy H 1 3.115 0.025 A 23 ASP CA C 13 53.356 0.10 A 23 ASP CB C 13 40.846 0.10 A 23 ASP N N 15 127.243 0.10 A 24 ASP H H 1 9.124 0.025 A 24 ASP HA H 1 4.281 0.025 A 24 ASP HBx H 1 2.712 0.025 A 24 ASP HBy H 1 2.719 0.025 A 24 ASP CA C 13 57.412 0.10 A 24 ASP CB C 13 40.119 0.10 A 24 ASP N N 15 121.300 0.10 A 25 ASP H H 1 8.170 0.025 A 25 ASP HA H 1 4.564 0.025 A 25 ASP HBy H 1 3.031 0.025 A 25 ASP HBx H 1 2.710 0.025 A 25 ASP CA C 13 53.745 0.10 A 25 ASP CB C 13 40.147 0.10 A 25 ASP N N 15 116.672 0.10 A 26 GLY H H 1 8.205 0.025 A 26 GLY HAy H 1 4.386 0.025 A 26 GLY HAx H 1 3.472 0.025 A 26 GLY CA C 13 44.881 0.10 A 26 GLY N N 15 108.602 0.10 A 27 THR H H 1 8.285 0.025 A 27 THR HG2% H 1 1.228 0.025 A 27 THR CG2 C 13 21.656 0.10 A 27 THR N N 15 119.118 0.10 A 28 LYS H H 1 8.673 0.025 A 28 LYS HA H 1 4.833 0.025 A 28 LYS HBy H 1 1.828 0.025 A 28 LYS HBx H 1 1.764 0.025 A 28 LYS HDy H 1 1.858 0.025 A 28 LYS HDx H 1 1.791 0.025 A 28 LYS HGx H 1 1.417 0.025 A 28 LYS HGy H 1 1.574 0.025 A 28 LYS CA C 13 56.117 0.10 A 28 LYS CB C 13 34.056 0.10 A 28 LYS CD C 13 30.217 0.10 A 28 LYS CG C 13 25.036 0.10 A 28 LYS N N 15 125.519 0.10 A 29 GLU H H 1 8.959 0.025 A 29 GLU HA H 1 4.823 0.025 A 29 GLU HBy H 1 2.232 0.025 A 29 GLU HBx H 1 2.151 0.025 A 29 GLU HGx H 1 2.444 0.025 A 29 GLU CA C 13 54.498 0.10 A 29 GLU CB C 13 33.320 0.10 A 29 GLU CG C 13 34.939 0.10 A 29 GLU N N 15 124.428 0.10 A 30 TRP H H 1 8.266 0.025 A 30 TRP HA H 1 6.226 0.025 A 30 TRP HBy H 1 3.244 0.025 A 30 TRP HBx H 1 2.939 0.025 A 30 TRP HD1 H 1 7.169 0.025 A 30 TRP HE1 H 1 10.198 0.025 A 30 TRP HE3 H 1 6.900 0.025 A 30 TRP HH2 H 1 6.961 0.025 A 30 TRP HZ2 H 1 7.479 0.025 A 30 TRP CA C 13 54.303 0.10 A 30 TRP CB C 13 123.643 0.10 A 30 TRP CD1 C 13 128.556 0.10 A 30 TRP CE3 C 13 120.546 0.10 A 30 TRP CH2 C 13 123.715 0.10 A 30 TRP CZ2 C 13 115.017 0.10 A 30 TRP N N 15 118.168 0.10 A 30 TRP NE1 N 15 130.058 0.10 A 31 ARG H H 1 8.436 0.025 A 31 ARG HA H 1 4.465 0.025 A 31 ARG HBy H 1 1.728 0.025 A 31 ARG HBx H 1 0.905 0.025 A 31 ARG HDy H 1 2.743 0.025 A 31 ARG HDx H 1 1.145 0.025 A 31 ARG HGy H 1 1.573 0.025 A 31 ARG HGx H 1 1.238 0.025 A 31 ARG CA C 13 54.681 0.10 A 31 ARG CB C 13 36.023 0.10 A 31 ARG CD C 13 42.962 0.10 A 31 ARG CG C 13 28.128 0.10 A 31 ARG N N 15 118.250 0.10 A 32 CYS H H 1 9.263 0.025 A 32 CYS HA H 1 4.970 0.025 A 32 CYS HBy H 1 3.043 0.025 A 32 CYS HBx H 1 2.660 0.025 A 32 CYS CA C 13 54.462 0.10 A 32 CYS CB C 13 36.284 0.10 A 32 CYS N N 15 120.119 0.10 A 33 LEU H H 1 8.231 0.025 A 33 LEU HA H 1 4.323 0.025 A 33 LEU HBy H 1 1.831 0.025 A 33 LEU HBx H 1 1.504 0.025 A 33 LEU HDx% H 1 0.710 0.025 A 33 LEU HDy% H 1 0.733 0.025 A 33 LEU HG H 1 1.140 0.025 A 33 LEU CA C 13 54.504 0.10 A 33 LEU CB C 13 41.715 0.10 A 33 LEU CD1 C 13 22.321 0.10 A 33 LEU CD2 C 13 25.577 0.10 A 33 LEU CG C 13 27.285 0.10 A 33 LEU N N 15 120.135 0.10 A 34 LEU H H 1 8.543 0.025 A 34 LEU HA H 1 4.304 0.025 A 34 LEU HBx H 1 1.542 0.025 A 34 LEU HBy H 1 1.827 0.025 A 34 LEU HDx% H 1 1.046 0.025 A 34 LEU HDy% H 1 0.754 0.025 A 34 LEU HG H 1 1.870 0.025 A 34 LEU CA C 13 56.583 0.10 A 34 LEU CB C 13 40.598 0.10 A 34 LEU CD1 C 13 26.070 0.10 A 34 LEU CD2 C 13 22.018 0.10 A 34 LEU CG C 13 26.868 0.10 A 34 LEU N N 15 117.291 0.10 A 35 GLY H H 1 8.344 0.025 A 35 GLY HAx H 1 3.062 0.025 A 35 GLY HAy H 1 4.009 0.025 A 35 GLY CA C 13 44.373 0.10 A 35 GLY N N 15 106.710 0.10 A 36 TYR H H 1 8.757 0.025 A 36 TYR HA H 1 5.135 0.025 A 36 TYR HBx H 1 2.662 0.025 A 36 TYR HBy H 1 3.371 0.025 A 36 TYR HDx H 1 6.622 0.025 A 36 TYR HDy H 1 6.622 0.025 A 36 TYR HEx H 1 6.681 0.025 A 36 TYR HEy H 1 6.681 0.025 A 36 TYR CA C 13 56.974 0.10 A 36 TYR CB C 13 41.416 0.10 A 36 TYR CD1 C 13 133.195 0.10 A 36 TYR CE1 C 13 118.234 0.10 A 36 TYR N N 15 119.409 0.10 A 37 LYS H H 1 10.003 0.025 A 37 LYS HA H 1 4.862 0.025 A 37 LYS HBy H 1 1.983 0.025 A 37 LYS HBx H 1 1.585 0.025 A 37 LYS HDx H 1 1.332 0.025 A 37 LYS HDy H 1 1.591 0.025 A 37 LYS HEx H 1 2.879 0.025 A 37 LYS HEy H 1 2.951 0.025 A 37 LYS HGx H 1 1.099 0.025 A 37 LYS HGy H 1 1.099 0.025 A 37 LYS CA C 13 53.741 0.10 A 37 LYS CB C 13 36.285 0.10 A 37 LYS CD C 13 29.776 0.10 A 37 LYS CE C 13 42.226 0.10 A 37 LYS CG C 13 23.676 0.10 A 37 LYS N N 15 119.802 0.10 A 38 LYS H H 1 8.703 0.025 A 38 LYS HA H 1 4.933 0.025 A 38 LYS HBx H 1 1.963 0.025 A 38 LYS HDy H 1 1.974 0.025 A 38 LYS HDx H 1 1.798 0.025 A 38 LYS HEx H 1 3.127 0.025 A 38 LYS HEy H 1 3.127 0.025 A 38 LYS HGy H 1 1.929 0.025 A 38 LYS HGx H 1 1.896 0.025 A 38 LYS CA C 13 58.016 0.10 A 38 LYS CB C 13 32.892 0.10 A 38 LYS CD C 13 29.252 0.10 A 38 LYS CE C 13 42.453 0.10 A 38 LYS CG C 13 25.117 0.10 A 38 LYS N N 15 124.066 0.10 A 39 GLY H H 1 8.585 0.025 A 39 GLY HAy H 1 4.523 0.025 A 39 GLY HAx H 1 3.549 0.025 A 39 GLY CA C 13 43.919 0.10 A 39 GLY N N 15 115.238 0.10 A 40 GLU H H 1 8.335 0.025 A 40 GLU HA H 1 4.256 0.025 A 40 GLU HBx H 1 1.982 0.025 A 40 GLU HBy H 1 1.983 0.025 A 40 GLU HGy H 1 2.333 0.025 A 40 GLU HGx H 1 2.331 0.025 A 40 GLU CA C 13 56.947 0.10 A 40 GLU CB C 13 29.582 0.10 A 40 GLU CG C 13 35.953 0.10 A 40 GLU N N 15 120.782 0.10 A 41 GLY H H 1 8.930 0.025 A 41 GLY HAy H 1 3.950 0.025 A 41 GLY HAx H 1 3.877 0.025 A 41 GLY CA C 13 45.946 0.10 A 41 GLY N N 15 113.795 0.10 A 42 ASN H H 1 8.818 0.025 A 42 ASN HA H 1 5.011 0.025 A 42 ASN HBx H 1 2.812 0.025 A 42 ASN HBy H 1 2.812 0.025 A 42 ASN HD2y H 1 7.702 0.025 A 42 ASN HD2x H 1 7.065 0.025 A 42 ASN CA C 13 52.483 0.10 A 42 ASN CB C 13 36.802 0.10 A 42 ASN N N 15 121.221 0.10 A 42 ASN ND2 N 15 113.892 0.10 A 43 THR H H 1 7.370 0.025 A 43 THR HA H 1 4.577 0.025 A 43 THR HB H 1 3.988 0.025 A 43 THR HG2% H 1 1.156 0.025 A 43 THR CA C 13 59.719 0.10 A 43 THR CB C 13 73.013 0.10 A 43 THR CG2 C 13 21.876 0.10 A 43 THR N N 15 107.789 0.10 A 44 CYS H H 1 8.967 0.025 A 44 CYS HA H 1 5.418 0.025 A 44 CYS HBy H 1 3.000 0.025 A 44 CYS HBx H 1 2.618 0.025 A 44 CYS CA C 13 54.860 0.10 A 44 CYS CB C 13 42.330 0.10 A 44 CYS N N 15 120.250 0.10 A 45 VAL H H 1 9.658 0.025 A 45 VAL HA H 1 4.899 0.025 A 45 VAL HB H 1 2.379 0.025 A 45 VAL HGx% H 1 1.002 0.025 A 45 VAL HGy% H 1 0.833 0.025 A 45 VAL CA C 13 58.652 0.10 A 45 VAL CB C 13 35.075 0.10 A 45 VAL CG1 C 13 21.609 0.10 A 45 VAL CG2 C 13 18.506 0.10 A 45 VAL N N 15 118.238 0.10 A 46 GLU H H 1 9.109 0.025 A 46 GLU HA H 1 3.525 0.025 A 46 GLU HBy H 1 1.908 0.025 A 46 GLU HBx H 1 1.795 0.025 A 46 GLU HGx H 1 2.148 0.025 A 46 GLU HGy H 1 2.171 0.025 A 46 GLU CA C 13 58.665 0.10 A 46 GLU CB C 13 29.478 0.10 A 46 GLU CG C 13 36.417 0.10 A 46 GLU N N 15 122.862 0.10 A 47 ASN H H 1 8.309 0.025 A 47 ASN HA H 1 4.724 0.025 A 47 ASN HBy H 1 2.692 0.025 A 47 ASN HBx H 1 1.821 0.025 A 47 ASN HD2y H 1 7.993 0.025 A 47 ASN HD2x H 1 7.371 0.025 A 47 ASN CA C 13 50.088 0.10 A 47 ASN CB C 13 38.500 0.10 A 47 ASN N N 15 120.907 0.10 A 47 ASN ND2 N 15 111.519 0.10 A 48 ASN H H 1 8.556 0.025 A 48 ASN HA H 1 4.608 0.025 A 48 ASN HBx H 1 2.768 0.025 A 48 ASN HBy H 1 2.796 0.025 A 48 ASN HD2y H 1 7.666 0.025 A 48 ASN HD2x H 1 6.995 0.025 A 48 ASN CA C 13 53.606 0.10 A 48 ASN CB C 13 38.689 0.10 A 48 ASN N N 15 119.289 0.10 A 48 ASN ND2 N 15 113.118 0.10 A 49 ASN H H 1 7.710 0.025 A 49 ASN HA H 1 5.059 0.025 A 49 ASN HBy H 1 2.721 0.025 A 49 ASN HBx H 1 2.410 0.025 A 49 ASN HD2y H 1 7.488 0.025 A 49 ASN HD2x H 1 6.811 0.025 A 49 ASN CA C 13 51.705 0.10 A 49 ASN CB C 13 39.832 0.10 A 49 ASN N N 15 115.508 0.10 A 49 ASN ND2 N 15 112.095 0.10 A 50 PRO HA H 1 4.313 0.025 A 50 PRO HBy H 1 1.969 0.025 A 50 PRO HBx H 1 1.802 0.025 A 50 PRO HDy H 1 3.508 0.025 A 50 PRO HDx H 1 3.261 0.025 A 50 PRO HGy H 1 2.143 0.025 A 50 PRO HGx H 1 1.871 0.025 A 50 PRO CA C 13 63.538 0.10 A 50 PRO CB C 13 31.959 0.10 A 50 PRO CD C 13 49.267 0.10 A 50 PRO CG C 13 28.008 0.10 A 51 THR H H 1 8.516 0.025 A 51 THR HA H 1 4.690 0.025 A 51 THR HB H 1 4.321 0.025 A 51 THR HG2% H 1 1.207 0.025 A 51 THR CA C 13 59.593 0.10 A 51 THR CB C 13 69.341 0.10 A 51 THR CG2 C 13 10.907 0.10 A 51 THR N N 15 115.945 0.10 A 52 CYS H H 1 8.939 0.025 A 52 CYS HA H 1 4.371 0.025 A 52 CYS HBy H 1 3.055 0.025 A 52 CYS HBx H 1 2.692 0.025 A 52 CYS CA C 13 55.720 0.10 A 52 CYS CB C 13 36.863 0.10 A 52 CYS N N 15 125.371 0.10 A 53 ASP H H 1 8.297 0.025 A 53 ASP HA H 1 4.494 0.025 A 53 ASP HBy H 1 2.762 0.025 A 53 ASP HBx H 1 2.611 0.025 A 53 ASP CA C 13 55.634 0.10 A 53 ASP CB C 13 40.869 0.10 A 53 ASP N N 15 116.967 0.10 A 54 ILE H H 1 7.544 0.025 A 54 ILE HA H 1 4.329 0.025 A 54 ILE HB H 1 1.710 0.025 A 54 ILE HD1% H 1 0.848 0.025 A 54 ILE HG1y H 1 1.374 0.025 A 54 ILE HG1x H 1 1.039 0.025 A 54 ILE HG2% H 1 0.892 0.025 A 54 ILE CA C 13 60.248 0.10 A 54 ILE CB C 13 39.985 0.10 A 54 ILE CD1 C 13 12.390 0.10 A 54 ILE CG1 C 13 26.964 0.10 A 54 ILE CG2 C 13 16.789 0.10 A 54 ILE N N 15 119.620 0.10 A 55 ASN H H 1 9.511 0.025 A 55 ASN HA H 1 4.458 0.025 A 55 ASN HBx H 1 2.535 0.025 A 55 ASN HBy H 1 3.261 0.025 A 55 ASN HD2x H 1 6.973 0.025 A 55 ASN HD2y H 1 7.556 0.025 A 55 ASN CA C 13 54.201 0.10 A 55 ASN CB C 13 37.596 0.10 A 55 ASN N N 15 126.772 0.10 A 55 ASN ND2 N 15 111.882 0.10 A 56 ASN H H 1 9.246 0.025 A 56 ASN HA H 1 4.685 0.025 A 56 ASN HBy H 1 3.192 0.025 A 56 ASN HBx H 1 2.282 0.025 A 56 ASN HD2x H 1 111.320 0.025 A 56 ASN HD2y H 1 111.320 0.025 A 56 ASN CA C 13 53.686 0.10 A 56 ASN CB C 13 39.376 0.10 A 56 ASN N N 15 119.935 0.10 A 57 GLY H H 1 7.903 0.025 A 57 GLY HAx H 1 3.509 0.025 A 57 GLY HAy H 1 4.125 0.025 A 57 GLY CA C 13 46.572 0.10 A 57 GLY N N 15 106.042 0.10 A 58 GLY H H 1 8.128 0.025 A 58 GLY HAy H 1 4.442 0.025 A 58 GLY HAx H 1 3.490 0.025 A 58 GLY CA C 13 44.188 0.10 A 58 GLY N N 15 105.823 0.10 A 59 CYS H H 1 7.832 0.025 A 59 CYS HA H 1 4.314 0.025 A 59 CYS HBy H 1 3.061 0.025 A 59 CYS HBx H 1 2.824 0.025 A 59 CYS CA C 13 52.839 0.10 A 59 CYS CB C 13 36.927 0.10 A 59 CYS N N 15 119.059 0.10 A 60 ASP H H 1 8.706 0.025 A 60 ASP HA H 1 4.351 0.025 A 60 ASP HBy H 1 2.429 0.025 A 60 ASP HBx H 1 2.265 0.025 A 60 ASP CA C 13 53.619 0.10 A 60 ASP CB C 13 44.622 0.10 A 60 ASP N N 15 123.860 0.10 A 61 PRO HA H 1 4.148 0.025 A 61 PRO HBy H 1 2.430 0.025 A 61 PRO HBx H 1 1.927 0.025 A 61 PRO HDy H 1 3.739 0.025 A 61 PRO HDx H 1 3.559 0.025 A 61 PRO HGx H 1 2.049 0.025 A 61 PRO CA C 13 65.750 0.10 A 61 PRO CB C 13 32.706 0.10 A 61 PRO CD C 13 50.927 0.10 A 61 PRO CG C 13 27.512 0.10 A 62 THR H H 1 9.105 0.025 A 62 THR HA H 1 4.362 0.025 A 62 THR HB H 1 4.361 0.025 A 62 THR HG2% H 1 1.269 0.025 A 62 THR CA C 13 62.641 0.10 A 62 THR CB C 13 70.029 0.10 A 62 THR CG2 C 13 21.845 0.10 A 62 THR N N 15 107.838 0.10 A 63 ALA H H 1 8.097 0.025 A 63 ALA HA H 1 4.572 0.025 A 63 ALA HB% H 1 1.402 0.025 A 63 ALA CA C 13 51.395 0.10 A 63 ALA CB C 13 19.633 0.10 A 63 ALA N N 15 125.373 0.10 A 64 SER H H 1 8.880 0.025 A 64 SER HA H 1 4.712 0.025 A 64 SER HBx H 1 3.846 0.025 A 64 SER HBy H 1 3.928 0.025 A 64 SER CA C 13 58.212 0.10 A 64 SER CB C 13 64.002 0.10 A 64 SER N N 15 116.232 0.10 A 65 CYS H H 1 8.746 0.025 A 65 CYS HA H 1 5.191 0.025 A 65 CYS HBy H 1 2.317 0.025 A 65 CYS CA C 13 55.830 0.10 A 65 CYS CB C 13 38.015 0.10 A 65 CYS N N 15 126.711 0.10 A 66 GLN H H 1 8.933 0.025 A 66 GLN HA H 1 4.664 0.025 A 66 GLN HBy H 1 2.394 0.025 A 66 GLN HBx H 1 2.298 0.025 A 66 GLN HE2x H 1 6.883 0.025 A 66 GLN HE2y H 1 7.571 0.025 A 66 GLN HGx H 1 1.984 0.025 A 66 GLN CA C 13 55.451 0.10 A 66 GLN CB C 13 34.090 0.10 A 66 GLN CG C 13 33.265 0.10 A 66 GLN N N 15 129.412 0.10 A 66 GLN NE2 N 15 112.379 0.10 A 67 ASN H H 1 8.723 0.025 A 67 ASN HA H 1 5.141 0.025 A 67 ASN HBy H 1 2.746 0.025 A 67 ASN HBx H 1 2.682 0.025 A 67 ASN HD2y H 1 7.479 0.025 A 67 ASN HD2x H 1 6.918 0.025 A 67 ASN CA C 13 53.452 0.10 A 67 ASN CB C 13 39.857 0.10 A 67 ASN N N 15 123.283 0.10 A 67 ASN ND2 N 15 112.945 0.10 A 68 ALA H H 1 8.819 0.025 A 68 ALA HA H 1 4.578 0.025 A 68 ALA HB% H 1 1.316 0.025 A 68 ALA CA C 13 50.740 0.10 A 68 ALA CB C 13 21.654 0.10 A 68 ALA N N 15 126.870 0.10 A 69 GLU H H 1 8.424 0.025 A 69 GLU HA H 1 4.398 0.025 A 69 GLU HBx H 1 1.920 0.025 A 69 GLU HBy H 1 1.975 0.025 A 69 GLU HGx H 1 2.223 0.025 A 69 GLU HGy H 1 2.226 0.025 A 69 GLU CA C 13 56.065 0.10 A 69 GLU CB C 13 29.465 0.10 A 69 GLU CG C 13 35.989 0.10 A 69 GLU N N 15 120.858 0.10 A 70 SER H H 1 7.912 0.025 A 70 SER HA H 1 4.521 0.025 A 70 SER HBy H 1 3.826 0.025 A 70 SER HBx H 1 3.181 0.025 A 70 SER CA C 13 57.678 0.10 A 70 SER CB C 13 63.805 0.10 A 70 SER N N 15 117.973 0.10 A 71 THR H H 1 8.176 0.025 A 71 THR HA H 1 4.340 0.025 A 71 THR HB H 1 4.417 0.025 A 71 THR HG2% H 1 1.248 0.025 A 71 THR CA C 13 62.341 0.10 A 71 THR CB C 13 68.978 0.10 A 71 THR CG2 C 13 21.476 0.10 A 71 THR N N 15 114.526 0.10 A 72 GLU H H 1 8.553 0.025 A 72 GLU HA H 1 4.485 0.025 A 72 GLU HBx H 1 1.869 0.025 A 72 GLU HBy H 1 1.981 0.025 A 72 GLU HGx H 1 2.235 0.025 A 72 GLU HGy H 1 2.235 0.025 A 72 GLU CA C 13 55.109 0.10 A 72 GLU CB C 13 30.034 0.10 A 72 GLU CG C 13 35.957 0.10 A 72 GLU N N 15 123.261 0.10 A 73 ASN H H 1 9.050 0.025 A 73 ASN HA H 1 4.210 0.025 A 73 ASN HBy H 1 2.804 0.025 A 73 ASN HBx H 1 2.758 0.025 A 73 ASN HD2x H 1 6.924 0.025 A 73 ASN HD2y H 1 7.489 0.025 A 73 ASN CA C 13 56.844 0.10 A 73 ASN CB C 13 38.311 0.10 A 73 ASN N N 15 125.154 0.10 A 73 ASN ND2 N 15 112.463 0.10 A 74 SER H H 1 8.594 0.025 A 74 SER HA H 1 3.916 0.025 A 74 SER HBx H 1 3.955 0.025 A 74 SER HBy H 1 4.066 0.025 A 74 SER CA C 13 60.113 0.10 A 74 SER CB C 13 63.061 0.10 A 74 SER N N 15 112.090 0.10 A 75 LYS H H 1 7.795 0.025 A 75 LYS HA H 1 4.669 0.025 A 75 LYS HDx H 1 1.581 0.025 A 75 LYS HDy H 1 1.686 0.025 A 75 LYS HEx H 1 2.981 0.025 A 75 LYS HEy H 1 2.981 0.025 A 75 LYS HGy H 1 1.376 0.025 A 75 LYS HGx H 1 1.272 0.025 A 75 LYS CA C 13 55.213 0.10 A 75 LYS CD C 13 28.734 0.10 A 75 LYS CE C 13 42.422 0.10 A 75 LYS CG C 13 24.860 0.10 A 75 LYS N N 15 121.719 0.10 A 76 LYS H H 1 6.890 0.025 A 76 LYS HA H 1 4.307 0.025 A 76 LYS HBx H 1 1.640 0.025 A 76 LYS HBy H 1 2.203 0.025 A 76 LYS HDy H 1 1.833 0.025 A 76 LYS HDx H 1 1.635 0.025 A 76 LYS HEy H 1 3.053 0.025 A 76 LYS HEx H 1 2.780 0.025 A 76 LYS HGy H 1 1.726 0.025 A 76 LYS HGx H 1 1.494 0.025 A 76 LYS CA C 13 58.334 0.10 A 76 LYS CB C 13 34.657 0.10 A 76 LYS CD C 13 30.547 0.10 A 76 LYS CE C 13 42.659 0.10 A 76 LYS CG C 13 26.766 0.10 A 76 LYS N N 15 117.897 0.10 A 77 ILE H H 1 7.656 0.025 A 77 ILE HA H 1 4.831 0.025 A 77 ILE HB H 1 1.869 0.025 A 77 ILE HD1% H 1 0.637 0.025 A 77 ILE HG1x H 1 1.354 0.025 A 77 ILE HG1y H 1 1.623 0.025 A 77 ILE HG2% H 1 0.958 0.025 A 77 ILE CA C 13 56.990 0.10 A 77 ILE CB C 13 39.713 0.10 A 77 ILE CD1 C 13 10.463 0.10 A 77 ILE CG1 C 13 25.586 0.10 A 77 ILE CG2 C 13 18.783 0.10 A 77 ILE N N 15 119.366 0.10 A 78 ILE H H 1 8.938 0.025 A 78 ILE HA H 1 4.214 0.025 A 78 ILE HB H 1 1.607 0.025 A 78 ILE HD1% H 1 0.771 0.025 A 78 ILE HG1y H 1 1.377 0.025 A 78 ILE HG1x H 1 1.001 0.025 A 78 ILE HG2% H 1 0.819 0.025 A 78 ILE CA C 13 60.338 0.10 A 78 ILE CB C 13 40.422 0.10 A 78 ILE CD1 C 13 13.180 0.10 A 78 ILE CG1 C 13 27.080 0.10 A 78 ILE CG2 C 13 17.389 0.10 A 78 ILE N N 15 125.795 0.10 A 79 CYS H H 1 9.324 0.025 A 79 CYS HA H 1 5.562 0.025 A 79 CYS HBx H 1 2.765 0.025 A 79 CYS HBy H 1 3.593 0.025 A 79 CYS CA C 13 52.050 0.10 A 79 CYS CB C 13 39.123 0.10 A 79 CYS N N 15 128.836 0.10 A 80 THR H H 1 8.960 0.025 A 80 THR HA H 1 4.643 0.025 A 80 THR HB H 1 3.974 0.025 A 80 THR HG2% H 1 1.253 0.025 A 80 THR CA C 13 61.698 0.10 A 80 THR CB C 13 70.643 0.10 A 80 THR CG2 C 13 21.075 0.10 A 80 THR N N 15 119.260 0.10 A 81 CYS H H 1 9.304 0.025 A 81 CYS HA H 1 4.618 0.025 A 81 CYS HBx H 1 2.458 0.025 A 81 CYS HBy H 1 4.027 0.025 A 81 CYS CA C 13 55.048 0.10 A 81 CYS CB C 13 37.529 0.10 A 81 CYS N N 15 128.499 0.10 A 82 LYS H H 1 8.981 0.025 A 82 LYS HA H 1 4.682 0.025 A 82 LYS HBy H 1 1.893 0.025 A 82 LYS HBx H 1 1.726 0.025 A 82 LYS HDy H 1 1.723 0.025 A 82 LYS HDx H 1 1.683 0.025 A 82 LYS HEy H 1 3.003 0.025 A 82 LYS HEx H 1 3.000 0.025 A 82 LYS HGy H 1 1.473 0.025 A 82 LYS HGx H 1 1.471 0.025 A 82 LYS CA C 13 54.168 0.10 A 82 LYS CB C 13 35.812 0.10 A 82 LYS CD C 13 29.087 0.10 A 82 LYS CE C 13 42.255 0.10 A 82 LYS CG C 13 23.961 0.10 A 82 LYS N N 15 121.601 0.10 A 83 GLU H H 1 8.726 0.025 A 83 GLU HA H 1 3.978 0.025 A 83 GLU HBx H 1 1.804 0.025 A 83 GLU HBy H 1 2.013 0.025 A 83 GLU CA C 13 56.233 0.10 A 83 GLU CB C 13 28.468 0.10 A 83 GLU N N 15 120.559 0.10 A 84 PRO HA H 1 5.214 0.025 A 84 PRO HBy H 1 2.600 0.025 A 84 PRO HBx H 1 2.233 0.025 A 84 PRO HDx H 1 3.532 0.025 A 84 PRO HDy H 1 3.683 0.025 A 84 PRO HGy H 1 2.079 0.025 A 84 PRO HGx H 1 1.747 0.025 A 84 PRO CA C 13 63.989 0.10 A 84 PRO CB C 13 33.096 0.10 A 84 PRO CD C 13 49.955 0.10 A 84 PRO CG C 13 24.706 0.10 A 85 THR H H 1 9.039 0.025 A 85 THR HA H 1 4.388 0.025 A 85 THR HB H 1 3.774 0.025 A 85 THR HG2% H 1 1.026 0.025 A 85 THR CA C 13 57.142 0.10 A 85 THR CB C 13 68.647 0.10 A 85 THR CG2 C 13 20.830 0.10 A 85 THR N N 15 116.171 0.10 A 86 PRO HA H 1 4.323 0.025 A 86 PRO HBx H 1 1.972 0.025 A 86 PRO HBy H 1 2.332 0.025 A 86 PRO HDy H 1 3.979 0.025 A 86 PRO HDx H 1 3.869 0.025 A 86 PRO HGx H 1 2.021 0.025 A 86 PRO HGy H 1 2.021 0.025 A 86 PRO CA C 13 64.137 0.10 A 86 PRO CB C 13 32.212 0.10 A 86 PRO CD C 13 51.245 0.10 A 86 PRO CG C 13 27.187 0.10 A 87 ASN H H 1 8.101 0.025 A 87 ASN HA H 1 4.722 0.025 A 87 ASN HBy H 1 2.894 0.025 A 87 ASN HBx H 1 2.601 0.025 A 87 ASN HD2y H 1 7.291 0.025 A 87 ASN HD2x H 1 6.809 0.025 A 87 ASN CA C 13 53.679 0.10 A 87 ASN CB C 13 39.255 0.10 A 87 ASN N N 15 120.073 0.10 A 87 ASN ND2 N 15 113.975 0.10 A 88 ALA H H 1 8.524 0.025 A 88 ALA HA H 1 5.208 0.025 A 88 ALA HB% H 1 1.314 0.025 A 88 ALA CA C 13 52.373 0.10 A 88 ALA CB C 13 21.670 0.10 A 88 ALA N N 15 127.685 0.10 A 89 TYR H H 1 8.946 0.025 A 89 TYR HA H 1 4.611 0.025 A 89 TYR HBx H 1 2.895 0.025 A 89 TYR HBy H 1 2.926 0.025 A 89 TYR HDx H 1 7.071 0.025 A 89 TYR HDy H 1 7.071 0.025 A 89 TYR HEx H 1 6.765 0.025 A 89 TYR HEy H 1 6.765 0.025 A 89 TYR CA C 13 57.063 0.10 A 89 TYR CB C 13 41.002 0.10 A 89 TYR CD1 C 13 133.507 0.10 A 89 TYR CE1 C 13 118.493 0.10 A 89 TYR N N 15 120.516 0.10 A 90 TYR H H 1 9.590 0.025 A 90 TYR HA H 1 4.337 0.025 A 90 TYR HBx H 1 3.243 0.025 A 90 TYR HBy H 1 3.406 0.025 A 90 TYR HDx H 1 7.260 0.025 A 90 TYR HDy H 1 7.260 0.025 A 90 TYR HEx H 1 7.136 0.025 A 90 TYR HEy H 1 7.136 0.025 A 90 TYR CA C 13 59.739 0.10 A 90 TYR CB C 13 35.808 0.10 A 90 TYR CD1 C 13 133.735 0.10 A 90 TYR CE1 C 13 118.861 0.10 A 90 TYR N N 15 123.745 0.10 A 91 GLU H H 1 8.995 0.025 A 91 GLU HA H 1 3.891 0.025 A 91 GLU HBx H 1 2.317 0.025 A 91 GLU HBy H 1 2.542 0.025 A 91 GLU HGx H 1 2.243 0.025 A 91 GLU HGy H 1 2.301 0.025 A 91 GLU CA C 13 57.063 0.10 A 91 GLU CB C 13 26.953 0.10 A 91 GLU CG C 13 36.588 0.10 A 91 GLU N N 15 110.020 0.10 A 92 GLY H H 1 7.470 0.025 A 92 GLY HAx H 1 3.427 0.025 A 92 GLY HAy H 1 4.167 0.025 A 92 GLY CA C 13 45.474 0.10 A 92 GLY N N 15 102.058 0.10 A 93 VAL H H 1 7.451 0.025 A 93 VAL HA H 1 3.738 0.025 A 93 VAL HB H 1 2.081 0.025 A 93 VAL HGx% H 1 0.553 0.025 A 93 VAL HGy% H 1 1.319 0.025 A 93 VAL CA C 13 66.072 0.10 A 93 VAL CB C 13 33.253 0.10 A 93 VAL CG1 C 13 22.678 0.10 A 93 VAL CG2 C 13 24.430 0.10 A 93 VAL N N 15 122.352 0.10 A 94 PHE H H 1 7.885 0.025 A 94 PHE HA H 1 4.925 0.025 A 94 PHE HBy H 1 2.454 0.025 A 94 PHE HBx H 1 2.253 0.025 A 94 PHE HDx H 1 6.940 0.025 A 94 PHE HDy H 1 6.940 0.025 A 94 PHE HEx H 1 7.067 0.025 A 94 PHE HEy H 1 7.067 0.025 A 94 PHE HZ H 1 6.975 0.025 A 94 PHE CA C 13 56.660 0.10 A 94 PHE CB C 13 42.815 0.10 A 94 PHE CD1 C 13 133.008 0.10 A 94 PHE CE1 C 13 0.000 0.10 A 94 PHE CZ C 13 130.891 0.10 A 94 PHE N N 15 111.998 0.10 A 95 CYS H H 1 7.907 0.025 A 95 CYS HA H 1 5.722 0.025 A 95 CYS HBx H 1 2.218 0.025 A 95 CYS HBy H 1 3.937 0.025 A 95 CYS CA C 13 52.689 0.10 A 95 CYS CB C 13 41.343 0.10 A 95 CYS N N 15 119.511 0.10 A 96 SER H H 1 9.468 0.025 A 96 SER HA H 1 4.920 0.025 A 96 SER HBx H 1 3.772 0.025 A 96 SER HBy H 1 3.825 0.025 A 96 SER CA C 13 56.355 0.10 A 96 SER CB C 13 66.732 0.10 A 96 SER N N 15 117.096 0.10 A 97 SER H H 1 9.071 0.025 A 97 SER HA H 1 4.822 0.025 A 97 SER HBx H 1 4.187 0.025 A 97 SER HBy H 1 4.298 0.025 A 97 SER CB C 13 64.208 0.10 A 97 SER N N 15 119.743 0.10 A 98 SER H H 1 8.956 0.025 A 98 SER HA H 1 4.704 0.025 A 98 SER HBx H 1 3.998 0.025 A 98 SER HBy H 1 3.998 0.025 A 98 SER CA C 13 58.603 0.10 A 98 SER CB C 13 64.248 0.10 A 98 SER N N 15 118.358 0.10 A 99 SER H H 1 8.261 0.025 A 99 SER HA H 1 4.351 0.025 A 99 SER HBx H 1 3.905 0.025 A 99 SER HBy H 1 3.905 0.025 A 99 SER CA C 13 60.188 0.10 A 99 SER CB C 13 64.770 0.10 A 99 SER N N 15 123.701 0.10 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type undefined save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 58 GLY H A 58 GLY HAx 1.0 1.614 2.870 2 2 A 58 GLY H A 59 CYS HBy 1.0 1.971 5.061 3 3 A 58 GLY H A 34 LEU HDy% 1.0 1.988 5.384 4 4 A 58 GLY H A 55 ASN HD2y 1.0 1.947 4.753 5 5 A 58 GLY H A 57 GLY H 1.0 1.716 3.272 6 6 A 57 GLY H A 54 ILE H 1.0 1.858 4.010 7 7 A 57 GLY H A 56 ASN HA 1.0 1.754 3.438 8 8 A 92 GLY H A 91 GLU H 1.0 1.733 3.343 9 9 A 92 GLY H A 94 PHE H 1.0 1.873 4.111 10 10 A 92 GLY H A 88 ALA HA 1.0 1.967 5.005 11 11 A 92 GLY H A 90 TYR HA 1.0 1.946 4.736 12 12 A 92 GLY H A 90 TYR HBy 1.0 0.000 6.000 13 13 A 92 GLY H A 93 VAL HB 1.0 1.917 4.451 14 14 A 21 PHE H A 29 GLU H 1.0 1.819 3.773 15 15 A 21 PHE H A 94 PHE HZ 1.0 0.000 6.000 16 16 A 21 PHE H A 21 PHE HDy 1.0 1.967 4.993 17 16 A 21 PHE H A 21 PHE HDx 1.0 1.967 4.993 18 17 A 21 PHE H A 11 THR HA 1.0 0.000 6.000 19 18 A 21 PHE H A 21 PHE HBy 1.0 1.807 3.711 20 19 A 21 PHE H A 21 PHE HBx 1.0 1.838 3.884 21 20 A 19 GLY H A 33 LEU H 1.0 1.904 4.344 22 21 A 35 GLY H A 34 LEU HA 1.0 1.583 2.763 23 22 A 35 GLY H A 34 LEU HBx 1.0 1.855 3.997 24 23 A 62 THR H A 61 PRO HA 1.0 1.923 4.513 25 24 A 62 THR H A 61 PRO HDx 1.0 1.907 4.371 26 25 A 26 GLY H A 23 ASP H 1.0 1.959 4.895 27 26 A 26 GLY H A 25 ASP HA 1.0 1.864 4.046 28 27 A 26 GLY H A 23 ASP HBy 1.0 1.909 4.387 29 27 A 26 GLY H A 23 ASP HBx 1.0 1.909 4.387 30 28 A 43 THR H A 44 CYS H 1.0 1.962 4.936 31 29 A 43 THR H A 39 GLY H 1.0 1.869 4.087 32 30 A 43 THR H A 30 TRP HH2 1.0 1.848 3.948 33 31 A 43 THR H A 38 LYS HA 1.0 0.000 6.000 34 32 A 43 THR H A 43 THR HB 1.0 1.900 4.312 35 33 A 91 GLU H A 91 GLU HA 1.0 1.547 2.645 36 34 A 91 GLU H A 90 TYR HBy 1.0 1.944 4.722 37 35 A 74 SER H A 73 ASN H 1.0 1.960 4.910 38 36 A 74 SER H A 75 LYS H 1.0 1.814 3.748 39 37 A 74 SER H A 73 ASN HA 1.0 1.909 4.383 40 38 A 74 SER H A 72 GLU HGy 1.0 1.932 4.592 41 38 A 74 SER H A 72 GLU HGx 1.0 1.932 4.592 42 39 A 74 SER H A 72 GLU HBy 1.0 1.923 4.505 43 40 A 94 PHE H A 89 TYR H 1.0 1.862 4.034 44 41 A 94 PHE H A 94 PHE HZ 1.0 0.000 6.000 45 42 A 6 HIS H A 7 VAL H 1.0 1.744 3.394 46 43 A 6 HIS H A 6 HIS HA 1.0 1.869 4.083 47 44 A 6 HIS H A 86 PRO HBy 1.0 0.000 6.000 48 45 A 6 HIS H A 5 LYS HBy 1.0 1.922 4.504 49 46 A 6 HIS H A 5 LYS HGx 1.0 1.960 4.910 50 47 A 48 ASN HD2y A 48 ASN HD2x 1.0 1.351 2.093 51 48 A 48 ASN HD2y A 48 ASN HA 1.0 1.898 4.296 52 49 A 48 ASN HD2x A 46 GLU HBx 1.0 1.971 5.061 53 50 A 42 ASN HD2x A 42 ASN HD2y 1.0 1.354 2.100 54 51 A 17 ASN HD2y A 17 ASN HD2x 1.0 1.410 2.244 55 52 A 17 ASN HD2y A 17 ASN HA 1.0 1.949 4.773 56 53 A 17 ASN HD2y A 17 ASN HBy 1.0 1.718 3.274 57 54 A 17 ASN HD2x A 17 ASN HBy 1.0 1.792 3.626 58 55 A 51 THR H A 47 ASN HD2x 1.0 1.902 4.330 59 56 A 51 THR H A 50 PRO HA 1.0 1.492 2.476 60 57 A 51 THR H A 57 GLY HAy 1.0 1.901 4.319 61 58 A 51 THR H A 50 PRO HDy 1.0 0.000 6.000 62 59 A 51 THR H A 50 PRO HBy 1.0 1.848 3.944 63 60 A 51 THR H A 77 ILE HD1% 1.0 1.869 4.085 64 61 A 49 ASN H A 48 ASN H 1.0 1.842 3.912 65 62 A 49 ASN H A 49 ASN HA 1.0 1.688 3.154 66 63 A 13 ASP H A 14 ILE H 1.0 1.736 3.360 67 64 A 13 ASP H A 13 ASP HBy 1.0 1.845 3.933 68 65 A 13 ASP H A 13 ASP HBx 1.0 1.836 3.872 69 66 A 13 ASP H A 12 ARG HBy 1.0 1.821 3.783 70 67 A 85 THR H A 85 THR HA 1.0 1.802 3.680 71 68 A 85 THR H A 84 PRO HDx 1.0 1.895 4.271 72 69 A 85 THR H A 4 PRO HDx 1.0 0.000 6.000 73 70 A 64 SER H A 64 SER HA 1.0 1.768 3.506 74 71 A 64 SER H A 80 THR HG2% 1.0 1.938 4.656 75 72 A 25 ASP H A 24 ASP HA 1.0 1.862 4.042 76 73 A 25 ASP H A 23 ASP HA 1.0 0.000 6.000 77 74 A 53 ASP H A 52 CYS H 1.0 0.000 6.000 78 75 A 54 ILE H A 53 ASP H 1.0 1.692 3.168 79 76 A 53 ASP H A 53 ASP HA 1.0 1.734 3.350 80 77 A 53 ASP H A 52 CYS HA 1.0 1.794 3.640 81 78 A 96 SER H A 87 ASN H 1.0 1.831 3.847 82 79 A 96 SER H A 87 ASN HD2x 1.0 1.918 4.462 83 80 A 88 ALA HA A 96 SER H 1.0 1.934 4.614 84 81 A 96 SER H A 96 SER HA 1.0 1.850 3.958 85 82 A 96 SER H A 95 CYS HBy 1.0 1.866 4.064 86 83 A 96 SER H A 87 ASN HBy 1.0 1.884 4.186 87 84 A 96 SER H A 6 HIS HBy 1.0 0.000 6.000 88 85 A 33 LEU H A 34 LEU H 1.0 1.947 4.749 89 86 A 76 LYS H A 50 PRO HGy 1.0 1.883 4.177 90 87 A 14 ILE H A 18 ALA HB% 1.0 0.000 6.000 91 88 A 14 ILE H A 11 THR HG2% 1.0 0.000 6.000 92 89 A 28 LYS HBx A 28 LYS HGy 1.0 0.000 6.000 93 90 A 28 LYS HBy A 28 LYS HGx 1.0 1.677 3.111 94 91 A 28 LYS HBx A 28 LYS HGx 1.0 1.659 3.037 95 92 A 76 LYS HBx A 76 LYS HGx 1.0 1.697 3.187 96 93 A 20 CYS H A 20 CYS HBy 1.0 1.727 3.315 97 94 A 20 CYS H A 20 CYS HBx 1.0 1.783 3.583 98 95 A 48 ASN HA A 50 PRO HDy 1.0 0.000 6.000 99 96 A 48 ASN HA A 50 PRO HDx 1.0 1.910 4.392 100 97 A 69 GLU H A 69 GLU HA 1.0 1.706 3.224 101 98 A 73 ASN HA A 50 PRO HDy 1.0 1.934 4.614 102 99 A 73 ASN HA A 50 PRO HDx 1.0 1.916 4.444 103 100 A 69 GLU H A 68 ALA HB% 1.0 1.631 2.931 104 101 A 16 LYS H A 17 ASN H 1.0 1.936 4.632 105 102 A 16 LYS H A 15 PRO HA 1.0 1.484 2.454 106 103 A 50 PRO HDy A 49 ASN HBx 1.0 0.000 6.000 107 104 A 16 LYS H A 16 LYS HBy 1.0 1.587 2.777 108 105 A 16 LYS H A 16 LYS HGy 1.0 1.784 3.584 109 106 A 50 PRO HGy A 50 PRO HDx 1.0 1.688 3.152 110 107 A 50 PRO HDy A 50 PRO HBy 1.0 1.815 3.753 111 108 A 50 PRO HBy A 50 PRO HDx 1.0 1.832 3.850 112 109 A 50 PRO HDx A 50 PRO HGx 1.0 1.638 2.956 113 110 A 50 PRO HDy A 76 LYS HDx 1.0 1.775 3.543 114 111 A 50 PRO HDx A 76 LYS HDx 1.0 1.738 3.368 115 112 A 76 LYS HGx A 50 PRO HDx 1.0 1.931 4.587 116 113 A 50 PRO HDx A 77 ILE HG1x 1.0 1.967 5.005 117 114 A 85 THR HA A 4 PRO HDx 1.0 1.717 3.273 118 115 A 4 PRO HDx A 4 PRO HDy 1.0 1.535 2.607 119 116 A 4 PRO HDx A 4 PRO HGy 1.0 1.675 3.099 120 117 A 10 ASP H A 10 ASP HA 1.0 1.928 4.556 121 118 A 4 PRO HDx A 4 PRO HBx 1.0 1.812 3.738 122 119 A 4 PRO HDy A 85 THR HG2% 1.0 1.870 4.090 123 120 A 10 ASP H A 9 VAL HGy% 1.0 1.920 4.484 124 120 A 10 ASP H A 9 VAL HGx% 1.0 1.920 4.484 125 121 A 19 GLY H A 31 ARG H 1.0 1.814 3.746 126 122 A 4 PRO HDy A 4 PRO HGx 1.0 1.725 3.309 127 123 A 4 PRO HDy A 4 PRO HBx 1.0 0.000 6.000 128 124 A 4 PRO HDy A 86 PRO HDy 1.0 1.758 3.460 129 125 A 30 TRP H A 30 TRP HD1 1.0 1.866 4.064 130 126 A 30 TRP H A 30 TRP HA 1.0 1.851 3.961 131 127 A 84 PRO HDx A 84 PRO HBx 1.0 1.767 3.501 132 128 A 31 ARG H A 30 TRP HBy 1.0 0.000 6.000 133 129 A 30 TRP H A 30 TRP HBy 1.0 1.931 4.587 134 130 A 84 PRO HBx A 84 PRO HDy 1.0 0.000 6.000 135 131 A 84 PRO HDy A 84 PRO HGy 1.0 1.648 2.994 136 132 A 85 THR HG2% A 84 PRO HDy 1.0 1.875 4.119 137 133 A 30 TRP H A 29 GLU HBx 1.0 1.801 3.673 138 134 A 4 PRO HDx A 87 ASN H 1.0 0.000 6.000 139 135 A 87 ASN H A 4 PRO HDy 1.0 0.000 6.000 140 136 A 2 VAL H A 2 VAL HA 1.0 1.787 3.603 141 137 A 85 THR H A 84 PRO HDy 1.0 1.862 4.038 142 138 A 85 THR H A 4 PRO HDy 1.0 0.000 6.000 143 139 A 39 GLY H A 45 VAL H 1.0 1.938 4.656 144 140 A 45 VAL H A 36 TYR HDy 1.0 1.965 4.973 145 140 A 45 VAL H A 36 TYR HDx 1.0 1.965 4.973 146 141 A 30 TRP HD1 A 15 PRO HDx 1.0 1.955 4.841 147 142 A 14 ILE H A 15 PRO HDy 1.0 1.943 4.707 148 143 A 15 PRO HDy A 30 TRP HE1 1.0 1.944 4.716 149 144 A 98 SER H A 97 SER HBy 1.0 1.922 4.504 150 145 A 98 SER H A 97 SER HBx 1.0 1.956 4.852 151 146 A 98 SER H A 98 SER HBy 1.0 1.868 4.076 152 146 A 98 SER H A 98 SER HBx 1.0 1.868 4.076 153 147 A 58 GLY H A 59 CYS H 1.0 1.605 2.841 154 148 A 59 CYS H A 55 ASN HA 1.0 0.000 6.000 155 149 A 59 CYS H A 59 CYS HA 1.0 1.726 3.316 156 150 A 15 PRO HDy A 15 PRO HBx 1.0 1.860 4.024 157 151 A 58 GLY HAx A 59 CYS H 1.0 1.760 3.470 158 152 A 59 CYS H A 56 ASN HBy 1.0 1.845 3.927 159 153 A 59 CYS HBy A 59 CYS H 1.0 1.679 3.119 160 154 A 15 PRO HDy A 15 PRO HGx 1.0 1.742 3.384 161 155 A 15 PRO HDx A 15 PRO HGx 1.0 1.740 3.376 162 156 A 77 ILE HD1% A 50 PRO HGy 1.0 1.893 4.253 163 157 A 23 ASP H A 27 THR H 1.0 1.910 4.398 164 158 A 27 THR H A 27 THR HB 1.0 1.675 3.099 165 159 A 77 ILE HD1% A 77 ILE HG1x 1.0 1.610 2.856 166 160 A 27 THR H A 26 GLY HAx 1.0 1.840 3.902 167 161 A 23 ASP HBy A 27 THR H 1.0 1.817 3.765 168 161 A 23 ASP HBx A 27 THR H 1.0 1.817 3.765 169 162 A 57 GLY HAy A 77 ILE HD1% 1.0 1.747 3.411 170 163 A 77 ILE HD1% A 51 THR HA 1.0 1.678 3.114 171 164 A 80 THR H A 65 CYS HA 1.0 1.926 4.536 172 165 A 35 GLY H A 36 TYR H 1.0 1.690 3.160 173 166 A 36 TYR HDy A 36 TYR H 1.0 1.729 3.327 174 166 A 36 TYR HDx A 36 TYR H 1.0 1.729 3.327 175 167 A 77 ILE HD1% A 68 ALA H 1.0 1.840 3.900 176 168 A 34 LEU HA A 36 TYR H 1.0 1.784 3.588 177 169 A 30 TRP HBy A 14 ILE HD1% 1.0 1.723 3.303 178 170 A 14 ILE HD1% A 22 ARG HDx 1.0 0.000 6.000 179 171 A 14 ILE HD1% A 30 TRP HBx 1.0 0.000 6.000 180 172 A 15 PRO HDy A 14 ILE HD1% 1.0 1.807 3.709 181 173 A 14 ILE HD1% A 14 ILE HB 1.0 1.736 3.354 182 174 A 28 LYS HBx A 14 ILE HD1% 1.0 1.768 3.510 183 175 A 28 LYS HGy A 14 ILE HD1% 1.0 1.944 4.710 184 176 A 96 SER HA A 97 SER H 1.0 1.761 3.471 185 177 A 14 ILE HD1% A 14 ILE HG1x 1.0 1.580 2.754 186 178 A 97 SER HBx A 97 SER H 1.0 1.880 4.160 187 179 A 97 SER HBy A 97 SER H 1.0 1.913 4.415 188 180 A 97 SER H A 7 VAL HGx% 1.0 0.000 6.000 189 181 A 14 ILE HD1% A 20 CYS HA 1.0 1.900 4.308 190 182 A 14 ILE H A 14 ILE HD1% 1.0 1.758 3.460 191 183 A 37 LYS H A 47 ASN H 1.0 1.905 4.353 192 184 A 36 TYR HDy A 37 LYS H 1.0 1.889 4.229 193 184 A 36 TYR HDx A 37 LYS H 1.0 1.889 4.229 194 185 A 20 CYS H A 14 ILE HD1% 1.0 0.000 6.000 195 186 A 30 TRP HE1 A 14 ILE HD1% 1.0 1.929 4.565 196 187 A 54 ILE HG1y A 54 ILE HD1% 1.0 1.514 2.542 197 188 A 54 ILE HD1% A 51 THR HG2% 1.0 1.609 2.855 198 189 A 54 ILE HD1% A 54 ILE HG1x 1.0 1.457 2.375 199 190 A 54 ILE HD1% A 54 ILE HB 1.0 1.627 2.919 200 191 A 37 LYS H A 37 LYS HBx 1.0 1.864 4.048 201 192 A 37 LYS H A 37 LYS HGy 1.0 1.672 3.088 202 192 A 37 LYS H A 37 LYS HGx 1.0 1.672 3.088 203 193 A 54 ILE HD1% A 55 ASN H 1.0 0.000 6.000 204 194 A 21 PHE HBy A 21 PHE HBx 1.0 1.570 2.722 205 195 A 95 CYS H A 94 PHE HA 1.0 1.657 3.027 206 196 A 21 PHE HBy A 22 ARG H 1.0 1.966 4.994 207 197 A 77 ILE H A 78 ILE H 1.0 1.963 4.961 208 198 A 76 LYS H A 77 ILE H 1.0 1.756 3.450 209 199 A 77 ILE H A 77 ILE HA 1.0 1.803 3.685 210 200 A 77 ILE H A 75 LYS HA 1.0 0.000 6.000 211 201 A 77 ILE H A 76 LYS HA 1.0 1.787 3.601 212 202 A 50 PRO HGy A 77 ILE H 1.0 1.925 4.519 213 203 A 77 ILE H A 77 ILE HB 1.0 1.667 3.067 214 204 A 76 LYS HBx A 77 ILE H 1.0 1.812 3.732 215 205 A 77 ILE HG1x A 77 ILE H 1.0 1.796 3.652 216 206 A 77 ILE HD1% A 77 ILE H 1.0 1.860 4.026 217 207 A 54 ILE H A 56 ASN HA 1.0 1.839 3.887 218 208 A 54 ILE H A 53 ASP HA 1.0 1.849 3.949 219 209 A 89 TYR H A 94 PHE HBx 1.0 1.956 4.856 220 210 A 89 TYR H A 94 PHE HBy 1.0 1.943 4.705 221 211 A 95 CYS H A 94 PHE HBy 1.0 1.805 3.699 222 212 A 54 ILE H A 54 ILE HB 1.0 1.650 3.004 223 213 A 21 PHE HDy A 94 PHE HBx 1.0 1.984 5.294 224 213 A 21 PHE HDx A 94 PHE HBx 1.0 1.984 5.294 225 214 A 54 ILE H A 54 ILE HG1x 1.0 1.860 4.028 226 215 A 94 PHE HBx A 89 TYR HBy 1.0 1.757 3.453 227 216 A 55 ASN H A 56 ASN H 1.0 1.901 4.317 228 217 A 57 GLY H A 56 ASN H 1.0 1.769 3.513 229 218 A 32 CYS H A 55 ASN HD2x 1.0 1.823 3.801 230 219 A 54 ILE H A 56 ASN H 1.0 1.934 4.616 231 220 A 56 ASN HA A 56 ASN H 1.0 1.518 2.554 232 221 A 39 GLY HAx A 40 GLU HGy 1.0 1.924 4.518 233 222 A 82 LYS H A 85 THR HB 1.0 1.879 4.155 234 223 A 82 LYS H A 82 LYS HGx 1.0 1.775 3.539 235 223 A 82 LYS H A 82 LYS HGy 1.0 1.775 3.539 236 224 A 44 CYS H A 45 VAL H 1.0 1.966 4.992 237 225 A 58 GLY HAx A 55 ASN HA 1.0 0.000 6.000 238 226 A 58 GLY HAx A 55 ASN HD2y 1.0 1.817 3.763 239 227 A 35 GLY H A 35 GLY HAy 1.0 1.728 3.318 240 228 A 44 CYS H A 17 ASN HD2y 1.0 1.817 3.765 241 229 A 90 TYR HBy A 89 TYR H 1.0 0.000 6.000 242 230 A 89 TYR H A 87 ASN HBy 1.0 0.000 6.000 243 231 A 83 GLU H A 83 GLU HGx 1.0 0.000 6.000 244 232 A 83 GLU H A 83 GLU HBx 1.0 1.657 3.033 245 233 A 82 LYS HGx A 83 GLU H 1.0 1.885 4.201 246 233 A 82 LYS HGy A 83 GLU H 1.0 1.885 4.201 247 234 A 24 ASP H A 6 HIS HE1 1.0 1.934 4.608 248 235 A 25 ASP H A 24 ASP H 1.0 1.819 3.775 249 236 A 43 THR H A 42 ASN H 1.0 1.946 4.738 250 237 A 38 LYS HA A 42 ASN H 1.0 0.000 6.000 251 238 A 24 ASP HA A 24 ASP H 1.0 1.775 3.541 252 239 A 94 PHE HA A 60 ASP HBy 1.0 1.873 4.111 253 240 A 24 ASP H A 24 ASP HBx 1.0 1.725 3.307 254 241 A 72 GLU H A 71 THR H 1.0 1.807 3.711 255 242 A 60 ASP HBx A 93 VAL HA 1.0 1.891 4.245 256 243 A 61 PRO HDx A 60 ASP HBy 1.0 1.950 4.782 257 244 A 61 PRO HDx A 60 ASP HBx 1.0 1.965 4.981 258 245 A 72 GLU HBy A 72 GLU H 1.0 0.000 6.000 259 246 A 72 GLU H A 72 GLU HBx 1.0 1.678 3.114 260 247 A 72 GLU H A 71 THR HG2% 1.0 1.918 4.466 261 248 A 58 GLY HAx A 57 GLY HAy 1.0 0.000 6.000 262 249 A 46 GLU H A 45 VAL HA 1.0 1.527 2.581 263 250 A 67 ASN H A 67 ASN HA 1.0 1.742 3.382 264 251 A 57 GLY H A 57 GLY HAy 1.0 1.691 3.163 265 252 A 57 GLY HAy A 52 CYS HA 1.0 1.774 3.538 266 253 A 67 ASN H A 66 GLN HBx 1.0 1.896 4.278 267 254 A 41 GLY HAx A 43 THR HG2% 1.0 0.000 6.000 268 255 A 41 GLY HAx A 41 GLY H 1.0 1.630 2.928 269 256 A 42 ASN H A 41 GLY HAx 1.0 1.659 3.037 270 257 A 37 LYS H A 38 LYS H 1.0 1.951 4.795 271 258 A 22 ARG HDy A 8 CYS HA 1.0 1.826 3.818 272 259 A 37 LYS HBx A 38 LYS H 1.0 1.771 3.525 273 260 A 37 LYS HGy A 38 LYS H 1.0 1.860 4.022 274 260 A 37 LYS HGx A 38 LYS H 1.0 1.860 4.022 275 261 A 22 ARG HDy A 22 ARG HE 1.0 1.764 3.488 276 262 A 38 LYS H A 37 LYS HA 1.0 1.536 2.610 277 263 A 22 ARG HDx A 22 ARG H 1.0 1.968 5.014 278 264 A 22 ARG HDy A 22 ARG HGy 1.0 1.696 3.184 279 265 A 98 SER HBy A 99 SER H 1.0 1.764 3.488 280 265 A 98 SER HBx A 99 SER H 1.0 1.764 3.488 281 266 A 99 SER H A 99 SER HBy 1.0 1.775 3.539 282 266 A 99 SER H A 99 SER HBx 1.0 1.775 3.539 283 267 A 13 ASP H A 12 ARG H 1.0 1.902 4.322 284 268 A 12 ARG H A 11 THR H 1.0 1.937 4.651 285 269 A 22 ARG HDx A 22 ARG HBx 1.0 1.743 3.389 286 270 A 10 ASP HA A 12 ARG H 1.0 1.961 4.931 287 271 A 9 VAL HGy% A 22 ARG HDx 1.0 1.886 4.204 288 272 A 20 CYS H A 94 PHE HBx 1.0 0.000 6.000 289 273 A 94 PHE HBx A 87 ASN HD2y 1.0 0.000 6.000 290 274 A 29 GLU H A 28 LYS HA 1.0 1.552 2.660 291 275 A 29 GLU H A 29 GLU HBx 1.0 1.743 3.389 292 276 A 29 GLU H A 28 LYS HBx 1.0 1.847 3.939 293 277 A 19 GLY HAy A 33 LEU HDx% 1.0 1.701 3.203 294 278 A 19 GLY H A 19 GLY HAy 1.0 1.730 3.330 295 279 A 20 CYS H A 19 GLY HAy 1.0 1.614 2.870 296 280 A 29 GLU H A 28 LYS H 1.0 1.918 4.458 297 281 A 34 LEU H A 33 LEU HBx 1.0 1.830 3.834 298 282 A 28 LYS HA A 28 LYS H 1.0 1.774 3.536 299 283 A 33 LEU HBx A 36 TYR HEx 1.0 1.903 4.331 300 284 A 36 TYR HDy A 33 LEU HBy 1.0 1.952 4.802 301 284 A 36 TYR HDx A 33 LEU HBy 1.0 1.952 4.802 302 285 A 33 LEU HBx A 32 CYS HA 1.0 1.968 5.022 303 286 A 33 LEU HBx A 33 LEU HBy 1.0 1.571 2.725 304 287 A 33 LEU HBy A 93 VAL HGy% 1.0 1.882 4.174 305 288 A 78 ILE H A 77 ILE HG2% 1.0 1.711 3.249 306 289 A 33 LEU HBx A 93 VAL HGy% 1.0 1.916 4.440 307 290 A 33 LEU HBx A 33 LEU HG 1.0 1.758 3.462 308 291 A 64 SER HA A 65 CYS H 1.0 1.518 2.554 309 292 A 31 ARG HDx A 31 ARG HGy 1.0 1.824 3.802 310 293 A 59 CYS HBy A 65 CYS H 1.0 1.947 4.749 311 294 A 65 CYS H A 79 CYS HBx 1.0 0.000 6.000 312 295 A 31 ARG HDx A 94 PHE HEy 1.0 1.938 4.646 313 295 A 31 ARG HDx A 94 PHE HEx 1.0 1.938 4.646 314 296 A 23 ASP H A 28 LYS HA 1.0 0.000 6.000 315 297 A 23 ASP H A 23 ASP HBy 1.0 1.679 3.119 316 297 A 23 ASP H A 23 ASP HBx 1.0 1.679 3.119 317 298 A 31 ARG HDy A 31 ARG HBx 1.0 1.787 3.605 318 299 A 23 ASP H A 22 ARG HGx 1.0 1.863 4.043 319 300 A 69 GLU H A 68 ALA H 1.0 1.928 4.550 320 301 A 68 ALA H A 77 ILE HA 1.0 1.827 3.821 321 302 A 12 ARG HDy A 12 ARG HE 1.0 1.832 3.848 322 303 A 12 ARG HE A 12 ARG HDx 1.0 1.828 3.826 323 304 A 68 ALA H A 67 ASN HBy 1.0 0.000 6.000 324 305 A 68 ALA HB% A 68 ALA H 1.0 1.631 2.933 325 306 A 68 ALA H A 77 ILE HG2% 1.0 1.962 4.934 326 307 A 50 PRO HGy A 68 ALA H 1.0 1.965 4.987 327 308 A 47 ASN H A 46 GLU H 1.0 1.949 4.771 328 309 A 36 TYR H A 47 ASN H 1.0 1.969 5.037 329 310 A 39 GLY H A 40 GLU H 1.0 1.878 4.146 330 311 A 48 ASN H A 47 ASN H 1.0 1.932 4.590 331 312 A 36 TYR HDy A 47 ASN H 1.0 1.907 4.367 332 312 A 36 TYR HDx A 47 ASN H 1.0 1.907 4.367 333 313 A 73 ASN HA A 76 LYS HEx 1.0 1.686 3.144 334 314 A 73 ASN H A 76 LYS HEx 1.0 1.959 4.897 335 315 A 40 GLU H A 40 GLU HA 1.0 1.749 3.417 336 316 A 43 THR HB A 40 GLU H 1.0 1.978 5.182 337 317 A 47 ASN H A 46 GLU HA 1.0 1.469 2.407 338 318 A 47 ASN H A 47 ASN HBy 1.0 1.728 3.326 339 319 A 76 LYS HEx A 76 LYS HDy 1.0 1.679 3.115 340 320 A 76 LYS HDx A 76 LYS HEx 1.0 1.635 2.947 341 321 A 76 LYS HGx A 76 LYS HEx 1.0 1.726 3.312 342 322 A 91 GLU H A 90 TYR H 1.0 1.837 3.883 343 323 A 76 LYS HGx A 76 LYS HEy 1.0 1.691 3.165 344 324 A 43 THR H A 38 LYS HEy 1.0 1.898 4.298 345 324 A 43 THR H A 38 LYS HEx 1.0 1.898 4.298 346 325 A 30 TRP HH2 A 38 LYS HEy 1.0 1.822 3.788 347 325 A 30 TRP HH2 A 38 LYS HEx 1.0 1.822 3.788 348 326 A 30 TRP HE1 A 30 TRP HZ2 1.0 1.667 3.069 349 327 A 30 TRP HD1 A 30 TRP HE1 1.0 1.549 2.651 350 328 A 38 LYS HEy A 38 LYS HDx 1.0 1.631 2.931 351 328 A 38 LYS HEx A 38 LYS HDx 1.0 1.631 2.931 352 329 A 37 LYS H A 44 CYS HBx 1.0 1.923 4.511 353 330 A 15 PRO HDx A 30 TRP HE1 1.0 1.959 4.901 354 331 A 18 ALA HB% A 30 TRP HE1 1.0 0.000 6.000 355 332 A 44 CYS HBy A 44 CYS HA 1.0 1.806 3.706 356 333 A 66 GLN H A 79 CYS HA 1.0 0.000 6.000 357 334 A 44 CYS HBx A 36 TYR HBy 1.0 1.849 3.951 358 335 A 77 ILE HA A 66 GLN H 1.0 1.961 4.917 359 336 A 66 GLN H A 66 GLN HA 1.0 1.743 3.389 360 337 A 72 GLU HGy A 75 LYS HEy 1.0 1.829 3.833 361 337 A 72 GLU HGx A 75 LYS HEy 1.0 1.829 3.833 362 337 A 72 GLU HGy A 75 LYS HEx 1.0 1.829 3.833 363 337 A 72 GLU HGx A 75 LYS HEx 1.0 1.829 3.833 364 338 A 66 GLN H A 66 GLN HGx 1.0 1.794 3.642 365 339 A 66 GLN H A 78 ILE HB 1.0 1.881 4.169 366 340 A 77 ILE HG2% A 66 GLN H 1.0 1.855 3.989 367 341 A 89 TYR H A 88 ALA H 1.0 1.956 4.864 368 342 A 87 ASN H A 88 ALA H 1.0 1.969 5.033 369 343 A 88 ALA HA A 88 ALA H 1.0 1.817 3.765 370 344 A 88 ALA H A 87 ASN HA 1.0 1.508 2.524 371 345 A 37 LYS HGy A 37 LYS HEx 1.0 1.621 2.899 372 345 A 37 LYS HGx A 37 LYS HEx 1.0 1.621 2.899 373 346 A 88 ALA H A 88 ALA HB% 1.0 1.590 2.790 374 347 A 3 ASP HBy A 86 PRO HGy 1.0 1.839 3.895 375 347 A 3 ASP HBy A 86 PRO HGx 1.0 1.839 3.895 376 348 A 10 ASP HBy A 28 LYS HDy 1.0 1.919 4.469 377 349 A 37 LYS H A 37 LYS HEx 1.0 0.000 6.000 378 350 A 21 PHE HDy A 22 ARG H 1.0 1.927 4.547 379 350 A 21 PHE HDx A 22 ARG H 1.0 1.927 4.547 380 351 A 10 ASP H A 10 ASP HBy 1.0 1.710 3.242 381 352 A 23 ASP HA A 22 ARG H 1.0 0.000 6.000 382 353 A 11 THR H A 10 ASP HBx 1.0 1.827 3.821 383 354 A 6 HIS HBy A 22 ARG H 1.0 1.961 4.917 384 355 A 5 LYS H A 3 ASP HBx 1.0 1.934 4.610 385 356 A 22 ARG H A 22 ARG HBy 1.0 1.755 3.447 386 357 A 22 ARG H A 22 ARG HBx 1.0 1.794 3.638 387 358 A 44 CYS HBx A 44 CYS HBy 1.0 1.516 2.548 388 359 A 17 ASN HBy A 44 CYS HBy 1.0 1.707 3.233 389 360 A 51 THR H A 52 CYS H 1.0 1.947 4.753 390 361 A 52 CYS H A 67 ASN HD2y 1.0 1.967 5.007 391 362 A 52 CYS H A 67 ASN HD2x 1.0 1.918 4.458 392 363 A 52 CYS H A 51 THR HA 1.0 1.512 2.536 393 364 A 52 CYS H A 52 CYS HA 1.0 1.690 3.160 394 365 A 78 ILE HG1x A 78 ILE HD1% 1.0 1.499 2.497 395 366 A 78 ILE HB A 78 ILE HD1% 1.0 1.636 2.950 396 367 A 78 ILE HD1% A 78 ILE HG1y 1.0 1.487 2.461 397 368 A 19 GLY H A 32 CYS H 1.0 1.968 5.020 398 369 A 31 ARG H A 32 CYS H 1.0 1.951 4.789 399 370 A 33 LEU H A 32 CYS H 1.0 1.956 4.862 400 371 A 32 CYS H A 32 CYS HA 1.0 1.806 3.702 401 372 A 78 ILE HD1% A 68 ALA HA 1.0 0.000 6.000 402 373 A 78 ILE HD1% A 78 ILE HA 1.0 1.791 3.619 403 374 A 78 ILE HD1% A 79 CYS H 1.0 1.948 4.764 404 375 A 32 CYS H A 31 ARG HBy 1.0 1.768 3.508 405 376 A 32 CYS H A 31 ARG HGy 1.0 1.919 4.473 406 377 A 32 CYS H A 31 ARG HGx 1.0 1.931 4.585 407 378 A 32 CYS H A 31 ARG HBx 1.0 1.855 3.987 408 379 A 18 ALA HB% A 14 ILE HG2% 1.0 1.572 2.726 409 380 A 32 CYS H A 93 VAL HGx% 1.0 1.944 4.722 410 381 A 56 ASN HBy A 56 ASN H 1.0 1.840 3.898 411 382 A 56 ASN H A 56 ASN HBx 1.0 1.765 3.495 412 383 A 66 GLN HE2x A 66 GLN HE2y 1.0 1.239 1.825 413 384 A 20 CYS HBx A 14 ILE HG2% 1.0 1.735 3.353 414 385 A 15 PRO HDy A 14 ILE HG2% 1.0 0.000 6.000 415 386 A 14 ILE HG2% A 14 ILE HA 1.0 1.652 3.008 416 387 A 20 CYS HA A 14 ILE HG2% 1.0 1.920 4.476 417 388 A 20 CYS H A 14 ILE HG2% 1.0 1.934 4.614 418 389 A 54 ILE HB A 54 ILE HG2% 1.0 1.504 2.512 419 390 A 54 ILE HG1y A 54 ILE HG2% 1.0 0.000 6.000 420 391 A 51 THR HG2% A 54 ILE HG2% 1.0 1.802 3.680 421 392 A 49 ASN HD2x A 49 ASN HD2y 1.0 1.290 1.944 422 393 A 55 ASN HA A 54 ILE HG2% 1.0 0.000 6.000 423 394 A 55 ASN H A 54 ILE HG2% 1.0 1.707 3.231 424 395 A 78 ILE HB A 78 ILE HG2% 1.0 1.481 2.445 425 396 A 78 ILE HG1y A 78 ILE HG2% 1.0 1.633 2.941 426 397 A 78 ILE HG1x A 78 ILE HG2% 1.0 1.558 2.680 427 398 A 78 ILE HG2% A 66 GLN HBy 1.0 1.924 4.516 428 399 A 66 GLN HBx A 78 ILE HG2% 1.0 1.921 4.491 429 400 A 55 ASN HD2y A 55 ASN HD2x 1.0 1.298 1.962 430 401 A 55 ASN HD2y A 55 ASN HA 1.0 1.912 4.410 431 402 A 58 GLY HAx A 55 ASN HD2x 1.0 1.864 4.054 432 403 A 79 CYS H A 78 ILE HG2% 1.0 1.642 2.974 433 404 A 37 LYS HGx A 45 VAL HGy% 1.0 1.561 2.693 434 404 A 37 LYS HGy A 45 VAL HGy% 1.0 1.561 2.693 435 405 A 55 ASN HD2y A 54 ILE HG2% 1.0 1.948 4.756 436 406 A 56 ASN HD2y A 56 ASN HD2x 1.0 1.518 2.554 437 407 A 45 VAL HGy% A 45 VAL HB 1.0 1.497 2.491 438 408 A 39 GLY HAx A 45 VAL HGy% 1.0 1.721 3.291 439 409 A 46 GLU H A 45 VAL HGy% 1.0 1.764 3.490 440 410 A 38 LYS H A 45 VAL HGy% 1.0 1.955 4.849 441 411 A 39 GLY H A 45 VAL HGy% 1.0 1.828 3.826 442 412 A 56 ASN HBy A 56 ASN HD2x 1.0 1.801 3.675 443 413 A 59 CYS HBy A 56 ASN HD2x 1.0 1.848 3.942 444 414 A 56 ASN HD2x A 59 CYS HBx 1.0 1.911 4.401 445 415 A 56 ASN HD2x A 65 CYS HBy 1.0 1.856 3.992 446 416 A 56 ASN HD2y A 63 ALA HB% 1.0 1.937 4.635 447 417 A 77 ILE HG1x A 77 ILE HG2% 1.0 1.665 3.063 448 418 A 47 ASN HD2x A 47 ASN HD2y 1.0 1.502 2.506 449 419 A 57 GLY HAy A 77 ILE HG2% 1.0 1.699 3.199 450 420 A 77 ILE H A 77 ILE HG2% 1.0 1.843 3.917 451 421 A 77 ILE HG2% A 79 CYS H 1.0 1.916 4.448 452 422 A 47 ASN HD2x A 47 ASN HBx 1.0 1.849 3.957 453 423 A 60 ASP HBy A 63 ALA HB% 1.0 1.653 3.015 454 424 A 60 ASP HBx A 63 ALA HB% 1.0 1.729 3.325 455 425 A 59 CYS HBy A 63 ALA HB% 1.0 0.000 6.000 456 426 A 10 ASP HA A 11 THR H 1.0 1.766 3.498 457 427 A 63 ALA HB% A 63 ALA HA 1.0 1.510 2.530 458 428 A 87 ASN HD2x A 87 ASN HD2y 1.0 1.445 2.339 459 429 A 87 ASN H A 87 ASN HD2x 1.0 0.000 6.000 460 430 A 80 THR H A 63 ALA HB% 1.0 1.637 2.957 461 431 A 64 SER H A 63 ALA HB% 1.0 0.000 6.000 462 432 A 63 ALA HB% A 60 ASP H 1.0 1.750 3.424 463 433 A 85 THR HG2% A 2 VAL HGy% 1.0 0.000 6.000 464 434 A 2 VAL HGy% A 2 VAL HB 1.0 1.527 2.585 465 435 A 2 VAL HA A 2 VAL HGy% 1.0 1.629 2.923 466 436 A 2 VAL HGy% A 3 ASP H 1.0 1.797 3.655 467 437 A 2 VAL H A 2 VAL HGy% 1.0 1.570 2.720 468 438 A 51 THR HG2% A 54 ILE HB 1.0 1.589 2.787 469 439 A 51 THR HG2% A 53 ASP HBx 1.0 0.000 6.000 470 440 A 51 THR HG2% A 51 THR HB 1.0 1.496 2.490 471 441 A 51 THR HG2% A 49 ASN HD2x 1.0 0.000 6.000 472 442 A 54 ILE H A 51 THR HG2% 1.0 1.592 2.794 473 443 A 57 GLY H A 51 THR HG2% 1.0 1.950 4.786 474 444 A 51 THR H A 51 THR HG2% 1.0 1.624 2.908 475 445 A 53 ASP H A 51 THR HG2% 1.0 0.000 6.000 476 446 A 52 CYS H A 51 THR HG2% 1.0 1.869 4.083 477 447 A 7 VAL H A 7 VAL HGy% 1.0 1.738 3.366 478 448 A 7 VAL HGy% A 8 CYS H 1.0 1.619 2.887 479 449 A 7 VAL HGy% A 7 VAL HA 1.0 0.000 6.000 480 450 A 75 LYS H A 76 LYS H 1.0 1.694 3.176 481 451 A 7 VAL HGy% A 7 VAL HB 1.0 1.461 2.385 482 452 A 85 THR HG2% A 62 THR HG2% 1.0 1.675 3.103 483 453 A 75 LYS H A 72 GLU HBx 1.0 1.699 3.199 484 454 A 75 LYS H A 75 LYS HBx 1.0 1.865 4.055 485 455 A 75 LYS H A 75 LYS HGy 1.0 1.843 3.915 486 456 A 75 LYS H A 75 LYS HGx 1.0 1.848 3.944 487 457 A 4 PRO HGy A 85 THR HG2% 1.0 1.809 3.717 488 458 A 85 THR HG2% A 84 PRO HBy 1.0 1.876 4.130 489 459 A 4 PRO HDx A 85 THR HG2% 1.0 1.909 4.377 490 460 A 85 THR HG2% A 85 THR HB 1.0 1.513 2.541 491 461 A 93 VAL H A 92 GLY HAy 1.0 1.899 4.305 492 462 A 91 GLU HA A 93 VAL H 1.0 1.981 5.245 493 463 A 85 THR HG2% A 3 ASP HA 1.0 0.000 6.000 494 464 A 90 TYR HBy A 93 VAL H 1.0 1.818 3.772 495 465 A 93 VAL H A 90 TYR HBx 1.0 1.893 4.261 496 466 A 93 VAL H A 34 LEU HG 1.0 1.947 4.747 497 467 A 93 VAL H A 34 LEU HDx% 1.0 1.964 4.964 498 468 A 34 LEU HDy% A 93 VAL H 1.0 1.939 4.663 499 469 A 2 VAL HA A 3 ASP H 1.0 1.583 2.765 500 470 A 3 ASP H A 86 PRO HDx 1.0 1.964 4.958 501 471 A 3 ASP HBy A 3 ASP H 1.0 0.000 6.000 502 472 A 3 ASP HBx A 3 ASP H 1.0 1.714 3.260 503 473 A 3 ASP H A 3 ASP HA 1.0 1.800 3.668 504 474 A 2 VAL H A 3 ASP H 1.0 1.909 4.387 505 475 A 3 ASP H A 6 HIS HD2 1.0 1.991 5.459 506 476 A 62 THR H A 63 ALA H 1.0 1.671 3.083 507 477 A 64 SER H A 63 ALA H 1.0 1.931 4.579 508 478 A 56 ASN HD2x A 63 ALA H 1.0 1.865 4.055 509 479 A 56 ASN HD2y A 63 ALA H 1.0 1.888 4.222 510 480 A 80 THR HG2% A 82 LYS HDy 1.0 1.837 3.875 511 481 A 2 VAL HB A 2 VAL HGx% 1.0 1.517 2.553 512 482 A 61 PRO HA A 63 ALA H 1.0 1.946 4.746 513 483 A 59 CYS HBy A 63 ALA H 1.0 0.000 6.000 514 484 A 80 THR HG2% A 80 THR HB 1.0 1.501 2.501 515 485 A 2 VAL HA A 2 VAL HGx% 1.0 1.605 2.839 516 486 A 60 ASP HBx A 63 ALA H 1.0 1.916 4.446 517 487 A 80 THR HG2% A 63 ALA H 1.0 0.000 6.000 518 488 A 7 VAL H A 6 HIS HA 1.0 1.909 4.385 519 489 A 80 THR HG2% A 81 CYS H 1.0 1.687 3.147 520 490 A 45 VAL HGy% A 45 VAL HGx% 1.0 1.388 2.188 521 491 A 45 VAL HB A 45 VAL HGx% 1.0 1.451 2.357 522 492 A 7 VAL H A 5 LYS HGx 1.0 1.965 4.985 523 493 A 44 CYS HA A 45 VAL HGx% 1.0 1.849 3.951 524 494 A 40 GLU H A 45 VAL HGx% 1.0 1.836 3.876 525 495 A 6 HIS H A 5 LYS H 1.0 1.770 3.516 526 496 A 7 VAL H A 5 LYS H 1.0 0.000 6.000 527 497 A 5 LYS H A 3 ASP HA 1.0 1.952 4.808 528 498 A 86 PRO HGy A 5 LYS H 1.0 1.789 3.613 529 498 A 86 PRO HGx A 5 LYS H 1.0 1.789 3.613 530 499 A 5 LYS H A 5 LYS HGy 1.0 1.785 3.593 531 500 A 5 LYS HGx A 5 LYS H 1.0 1.855 3.989 532 501 A 69 GLU H A 70 SER H 1.0 1.931 4.587 533 502 A 69 GLU HA A 70 SER H 1.0 1.543 2.635 534 503 A 76 LYS HA A 70 SER H 1.0 0.000 6.000 535 504 A 50 PRO HDx A 70 SER H 1.0 0.000 6.000 536 505 A 76 LYS HEy A 70 SER H 1.0 1.979 5.207 537 506 A 88 ALA HA A 88 ALA HB% 1.0 1.525 2.577 538 507 A 68 ALA HB% A 77 ILE H 1.0 1.917 4.455 539 508 A 76 LYS HBx A 70 SER H 1.0 1.960 4.898 540 509 A 76 LYS HGx A 70 SER H 1.0 1.899 4.309 541 510 A 68 ALA HB% A 70 SER H 1.0 1.978 5.184 542 511 A 19 GLY H A 18 ALA H 1.0 1.961 4.919 543 512 A 17 ASN H A 18 ALA H 1.0 1.687 3.149 544 513 A 18 ALA H A 18 ALA HA 1.0 1.810 3.722 545 514 A 7 VAL HGx% A 8 CYS H 1.0 0.000 6.000 546 515 A 17 ASN HA A 18 ALA H 1.0 1.737 3.363 547 516 A 7 VAL HGx% A 7 VAL HA 1.0 1.564 2.700 548 517 A 7 VAL H A 7 VAL HGx% 1.0 1.585 2.771 549 518 A 74 SER H A 75 LYS HGx 1.0 1.978 5.178 550 519 A 7 VAL HGx% A 5 LYS H 1.0 0.000 6.000 551 520 A 6 HIS H A 7 VAL HGx% 1.0 1.830 3.840 552 521 A 14 ILE H A 13 ASP HBx 1.0 1.956 4.848 553 522 A 34 LEU HDy% A 34 LEU HDx% 1.0 1.447 2.345 554 523 A 9 VAL HGx% A 9 VAL H 1.0 1.916 4.444 555 523 A 9 VAL HGy% A 9 VAL H 1.0 1.916 4.444 556 524 A 34 LEU HDy% A 34 LEU HG 1.0 1.489 2.465 557 525 A 13 ASP H A 11 THR HG2% 1.0 1.976 5.150 558 526 A 21 PHE H A 22 ARG H 1.0 1.969 5.035 559 527 A 58 GLY HAx A 34 LEU HDy% 1.0 0.000 6.000 560 528 A 22 ARG H A 21 PHE HEy 1.0 1.986 5.356 561 528 A 22 ARG H A 21 PHE HEx 1.0 1.986 5.356 562 529 A 92 GLY H A 90 TYR HBx 1.0 1.947 4.751 563 530 A 22 ARG H A 8 CYS HBy 1.0 1.988 5.396 564 531 A 21 PHE H A 20 CYS H 1.0 1.973 5.097 565 532 A 34 LEU HDy% A 35 GLY H 1.0 1.750 3.422 566 533 A 21 PHE H A 28 LYS HA 1.0 1.967 4.999 567 534 A 21 PHE H A 14 ILE HD1% 1.0 1.977 5.169 568 535 A 26 GLY H A 22 ARG HGy 1.0 1.978 5.174 569 536 A 27 THR H A 28 LYS H 1.0 1.934 4.616 570 537 A 27 THR H A 25 ASP HBx 1.0 1.975 5.133 571 538 A 27 THR H A 28 LYS HA 1.0 1.989 5.423 572 539 A 22 ARG HDx A 28 LYS H 1.0 1.967 4.999 573 540 A 7 VAL H A 8 CYS H 1.0 1.971 5.069 574 541 A 8 CYS HA A 8 CYS H 1.0 1.870 4.090 575 542 A 39 GLY HAx A 43 THR HG2% 1.0 0.000 6.000 576 543 A 43 THR HB A 43 THR HG2% 1.0 1.483 2.449 577 544 A 29 GLU H A 30 TRP H 1.0 1.953 4.817 578 545 A 11 THR HG2% A 8 CYS HA 1.0 1.832 3.848 579 546 A 31 ARG H A 30 TRP H 1.0 1.943 4.701 580 547 A 43 THR H A 43 THR HG2% 1.0 0.000 6.000 581 548 A 11 THR HG2% A 12 ARG H 1.0 0.000 6.000 582 549 A 11 THR HG2% A 10 ASP H 1.0 1.949 4.779 583 550 A 44 CYS H A 43 THR HG2% 1.0 1.731 3.333 584 551 A 30 TRP H A 14 ILE HD1% 1.0 1.980 5.214 585 552 A 11 THR HG2% A 11 THR H 1.0 1.704 3.216 586 553 A 11 THR HG2% A 8 CYS H 1.0 0.000 6.000 587 554 A 71 THR H A 71 THR HG2% 1.0 1.633 2.943 588 555 A 29 GLU H A 29 GLU HBy 1.0 1.919 4.475 589 556 A 33 LEU HDx% A 33 LEU HG 1.0 1.561 2.689 590 557 A 90 TYR HBy A 33 LEU HDx% 1.0 1.660 3.042 591 558 A 33 LEU HDx% A 90 TYR HBx 1.0 1.743 3.387 592 559 A 33 LEU HDx% A 18 ALA H 1.0 0.000 6.000 593 560 A 33 LEU HDx% A 94 PHE HEx 1.0 1.893 4.257 594 560 A 33 LEU HDx% A 94 PHE HEy 1.0 1.893 4.257 595 561 A 19 GLY H A 33 LEU HDx% 1.0 1.760 3.470 596 562 A 31 ARG HDx A 93 VAL HGx% 1.0 1.700 3.202 597 563 A 31 ARG HBx A 93 VAL HGx% 1.0 1.632 2.936 598 564 A 33 LEU HDx% A 93 VAL HGx% 1.0 1.613 2.869 599 565 A 93 VAL HB A 93 VAL HGx% 1.0 1.607 2.849 600 566 A 31 ARG HBy A 93 VAL HGx% 1.0 1.663 3.055 601 567 A 31 ARG HGy A 93 VAL HGx% 1.0 1.839 3.895 602 568 A 31 ARG HDy A 93 VAL HGx% 1.0 1.747 3.407 603 569 A 90 TYR HBy A 93 VAL HGx% 1.0 1.875 4.127 604 570 A 93 VAL HGx% A 90 TYR HBx 1.0 1.836 3.876 605 571 A 93 VAL HGx% A 31 ARG HA 1.0 1.871 4.101 606 572 A 93 VAL HGx% A 33 LEU HA 1.0 1.757 3.453 607 573 A 94 PHE HEx A 93 VAL HGx% 1.0 1.787 3.605 608 574 A 93 VAL HGx% A 94 PHE HDx 1.0 1.756 3.450 609 575 A 34 LEU H A 93 VAL HGx% 1.0 1.931 4.585 610 576 A 33 LEU H A 93 VAL HGx% 1.0 1.971 5.065 611 577 A 19 GLY H A 93 VAL HGx% 1.0 1.961 4.931 612 578 A 37 LYS HGy A 37 LYS HEy 1.0 1.753 3.433 613 578 A 37 LYS HGx A 37 LYS HEy 1.0 1.753 3.433 614 579 A 45 VAL H A 37 LYS HGy 1.0 1.912 4.414 615 579 A 45 VAL H A 37 LYS HGx 1.0 1.912 4.414 616 580 A 47 ASN H A 37 LYS HGy 1.0 1.976 5.138 617 580 A 47 ASN H A 37 LYS HGx 1.0 1.976 5.138 618 581 A 37 LYS HGy A 47 ASN HD2y 1.0 1.972 5.078 619 581 A 37 LYS HGx A 47 ASN HD2y 1.0 1.972 5.078 620 582 A 18 ALA HB% A 15 PRO HBx 1.0 1.611 2.861 621 583 A 18 ALA HB% A 15 PRO HBy 1.0 0.000 6.000 622 584 A 18 ALA HB% A 15 PRO HDx 1.0 1.646 2.990 623 585 A 93 VAL HGy% A 90 TYR HBx 1.0 1.659 3.037 624 586 A 18 ALA HB% A 30 TRP HBx 1.0 1.739 3.371 625 587 A 18 ALA HB% A 31 ARG HA 1.0 1.895 4.269 626 588 A 18 ALA HB% A 18 ALA HA 1.0 1.557 2.677 627 589 A 18 ALA HB% A 18 ALA H 1.0 1.576 2.742 628 590 A 19 GLY H A 18 ALA HB% 1.0 0.000 6.000 629 591 A 5 LYS HGx A 5 LYS HGy 1.0 1.467 2.401 630 592 A 5 LYS HGy A 5 LYS HA 1.0 0.000 6.000 631 593 A 6 HIS H A 5 LYS HGy 1.0 1.962 4.938 632 594 A 93 VAL HGy% A 93 VAL HGx% 1.0 1.458 2.376 633 595 A 93 VAL HGy% A 34 LEU HG 1.0 1.533 2.599 634 596 A 93 VAL HB A 93 VAL HGy% 1.0 1.557 2.677 635 597 A 90 TYR HBy A 93 VAL HGy% 1.0 1.757 3.453 636 598 A 93 VAL HA A 93 VAL HGy% 1.0 1.582 2.758 637 599 A 93 VAL HGy% A 33 LEU HA 1.0 1.546 2.640 638 600 A 94 PHE H A 93 VAL HGy% 1.0 1.814 3.744 639 601 A 34 LEU H A 93 VAL HGy% 1.0 1.641 2.969 640 602 A 84 PRO HGy A 84 PRO HGx 1.0 1.494 2.482 641 603 A 85 THR HG2% A 84 PRO HGy 1.0 1.844 3.922 642 604 A 84 PRO HBx A 84 PRO HGy 1.0 1.651 3.009 643 605 A 84 PRO HDy A 84 PRO HGx 1.0 1.713 3.255 644 606 A 84 PRO HDx A 84 PRO HGx 1.0 1.726 3.314 645 607 A 84 PRO HGy A 84 PRO HA 1.0 1.888 4.218 646 608 A 84 PRO HGx A 84 PRO HA 1.0 1.935 4.625 647 609 A 85 THR H A 84 PRO HGy 1.0 1.961 4.923 648 610 A 85 THR H A 84 PRO HGx 1.0 1.946 4.746 649 611 A 28 LYS HGy A 28 LYS HGx 1.0 1.379 2.165 650 612 A 28 LYS HGy A 22 ARG HGx 1.0 0.000 6.000 651 613 A 28 LYS HGx A 22 ARG HDx 1.0 1.760 3.468 652 614 A 28 LYS HGy A 22 ARG HDx 1.0 1.770 3.516 653 615 A 16 LYS HGx A 16 LYS HA 1.0 1.746 3.406 654 616 A 28 LYS HGy A 28 LYS H 1.0 1.822 3.790 655 617 A 28 LYS HGx A 28 LYS H 1.0 1.844 3.924 656 618 A 17 ASN H A 16 LYS HGy 1.0 1.849 3.955 657 619 A 29 GLU H A 28 LYS HGx 1.0 0.000 6.000 658 620 A 75 LYS HGx A 75 LYS HDx 1.0 1.703 3.213 659 621 A 28 LYS HGx A 28 LYS HDy 1.0 1.646 2.988 660 622 A 72 GLU HBx A 75 LYS HGx 1.0 1.662 3.046 661 623 A 28 LYS HGx A 9 VAL HB 1.0 0.000 6.000 662 624 A 75 LYS HEy A 75 LYS HGx 1.0 1.775 3.539 663 624 A 75 LYS HEx A 75 LYS HGx 1.0 1.775 3.539 664 625 A 75 LYS HA A 75 LYS HGy 1.0 1.764 3.492 665 626 A 75 LYS HA A 75 LYS HGx 1.0 1.741 3.381 666 627 A 38 LYS HEy A 38 LYS HGy 1.0 1.787 3.603 667 627 A 38 LYS HEx A 38 LYS HGy 1.0 1.787 3.603 668 628 A 38 LYS HEy A 38 LYS HGx 1.0 1.801 3.677 669 628 A 38 LYS HEx A 38 LYS HGx 1.0 1.801 3.677 670 629 A 30 TRP HH2 A 38 LYS HGy 1.0 1.921 4.493 671 630 A 30 TRP HH2 A 38 LYS HGx 1.0 1.914 4.424 672 631 A 43 THR H A 38 LYS HGy 1.0 1.951 4.795 673 632 A 38 LYS H A 38 LYS HGy 1.0 1.822 3.794 674 633 A 39 GLY H A 38 LYS HGy 1.0 0.000 6.000 675 634 A 39 GLY H A 38 LYS HGx 1.0 0.000 6.000 676 635 A 33 LEU HBy A 33 LEU HDy% 1.0 1.593 2.797 677 636 A 33 LEU HBx A 33 LEU HDy% 1.0 1.584 2.768 678 637 A 33 LEU HG A 33 LEU HDy% 1.0 1.527 2.581 679 638 A 17 ASN HBy A 33 LEU HDy% 1.0 1.939 4.663 680 639 A 33 LEU HA A 33 LEU HDy% 1.0 1.772 3.528 681 640 A 19 GLY HAy A 33 LEU HDy% 1.0 1.955 4.849 682 641 A 17 ASN HA A 33 LEU HDy% 1.0 1.636 2.950 683 642 A 90 TYR HBy A 33 LEU HDy% 1.0 0.000 6.000 684 643 A 18 ALA HA A 33 LEU HDy% 1.0 1.854 3.986 685 644 A 18 ALA H A 33 LEU HDy% 1.0 0.000 6.000 686 645 A 34 LEU H A 33 LEU HDy% 1.0 1.873 4.111 687 646 A 33 LEU H A 33 LEU HDy% 1.0 1.752 3.430 688 647 A 17 ASN H A 33 LEU HDy% 1.0 0.000 6.000 689 648 A 50 PRO HBy A 77 ILE HG1x 1.0 1.893 4.263 690 649 A 77 ILE HG1x A 77 ILE HG1y 1.0 1.583 2.765 691 650 A 50 PRO HGy A 77 ILE HG1y 1.0 1.946 4.734 692 651 A 50 PRO HBy A 77 ILE HG1y 1.0 1.894 4.262 693 652 A 57 GLY HAy A 77 ILE HG1y 1.0 1.938 4.652 694 653 A 57 GLY HAy A 77 ILE HG1x 1.0 1.984 5.288 695 654 A 50 PRO HDy A 77 ILE HG1x 1.0 1.976 5.152 696 655 A 77 ILE H A 77 ILE HG1y 1.0 1.924 4.520 697 656 A 15 PRO HGx A 15 PRO HGy 1.0 1.542 2.630 698 657 A 15 PRO HDx A 15 PRO HGy 1.0 1.771 3.525 699 658 A 15 PRO HGy A 42 ASN HBy 1.0 1.840 3.894 700 658 A 15 PRO HGy A 42 ASN HBx 1.0 1.840 3.894 701 659 A 15 PRO HDy A 15 PRO HGy 1.0 1.735 3.353 702 660 A 15 PRO HA A 15 PRO HGx 1.0 1.856 3.994 703 661 A 30 TRP HH2 A 15 PRO HGy 1.0 1.965 4.977 704 662 A 30 TRP HH2 A 15 PRO HGx 1.0 1.978 5.192 705 663 A 34 LEU HBx A 34 LEU HDx% 1.0 1.636 2.950 706 664 A 93 VAL HGy% A 34 LEU HDx% 1.0 1.674 3.096 707 665 A 34 LEU HDx% A 91 GLU HBy 1.0 1.652 3.010 708 666 A 35 GLY H A 34 LEU HDx% 1.0 0.000 6.000 709 667 A 79 CYS H A 34 LEU HDx% 1.0 1.914 4.430 710 668 A 14 ILE HB A 14 ILE HG1y 1.0 1.728 3.320 711 669 A 20 CYS HBy A 14 ILE HG1x 1.0 1.890 4.238 712 670 A 4 PRO HGy A 4 PRO HBx 1.0 1.672 3.088 713 671 A 4 PRO HGy A 4 PRO HGx 1.0 1.527 2.581 714 672 A 4 PRO HGy A 85 THR HB 1.0 1.835 3.869 715 673 A 85 THR HA A 4 PRO HGx 1.0 1.948 4.758 716 674 A 87 ASN H A 4 PRO HGy 1.0 1.916 4.436 717 675 A 87 ASN H A 4 PRO HGx 1.0 1.910 4.392 718 676 A 76 LYS HGy A 76 LYS HBy 1.0 1.811 3.731 719 677 A 76 LYS HEx A 76 LYS HGy 1.0 1.827 3.817 720 678 A 73 ASN HA A 76 LYS HGy 1.0 1.838 3.884 721 679 A 73 ASN HA A 76 LYS HGx 1.0 1.861 4.029 722 680 A 76 LYS H A 76 LYS HGx 1.0 1.912 4.404 723 681 A 76 LYS HA A 76 LYS HGy 1.0 1.824 3.802 724 682 A 51 THR HG2% A 54 ILE HG1x 1.0 0.000 6.000 725 683 A 54 ILE HG1y A 51 THR HG2% 1.0 1.675 3.103 726 684 A 54 ILE HG1y A 54 ILE HB 1.0 1.633 2.939 727 685 A 54 ILE H A 54 ILE HG1y 1.0 1.803 3.689 728 686 A 54 ILE HG1y A 55 ASN H 1.0 0.000 6.000 729 687 A 54 ILE HG1x A 55 ASN H 1.0 1.945 4.731 730 688 A 78 ILE HB A 78 ILE HG1y 1.0 1.639 2.959 731 689 A 78 ILE HG1x A 79 CYS H 1.0 1.956 4.856 732 690 A 34 LEU HDx% A 91 GLU HBx 1.0 1.739 3.373 733 691 A 34 LEU HG A 34 LEU HDx% 1.0 1.673 3.089 734 692 A 93 VAL HGy% A 91 GLU HBy 1.0 1.943 4.701 735 693 A 34 LEU HBx A 34 LEU HG 1.0 1.790 3.620 736 694 A 34 LEU HG A 91 GLU HBy 1.0 1.939 4.663 737 695 A 91 GLU HBy A 91 GLU HBx 1.0 1.424 2.282 738 696 A 34 LEU HG A 91 GLU HGy 1.0 1.981 5.239 739 697 A 34 LEU H A 34 LEU HG 1.0 1.724 3.308 740 698 A 91 GLU H A 91 GLU HBy 1.0 1.888 4.218 741 699 A 12 ARG HE A 12 ARG HGy 1.0 1.894 4.262 742 700 A 13 ASP H A 12 ARG HGy 1.0 1.912 4.416 743 701 A 12 ARG H A 12 ARG HGy 1.0 1.763 3.481 744 702 A 76 LYS HEy A 76 LYS HGy 1.0 1.839 3.891 745 703 A 5 LYS HBy A 86 PRO HGy 1.0 1.914 4.430 746 703 A 5 LYS HBy A 86 PRO HGx 1.0 1.914 4.430 747 704 A 86 PRO HGy A 5 LYS HGy 1.0 1.824 3.798 748 704 A 86 PRO HGx A 5 LYS HGy 1.0 1.824 3.798 749 705 A 5 LYS HGx A 86 PRO HGy 1.0 1.922 4.500 750 705 A 5 LYS HGx A 86 PRO HGx 1.0 1.922 4.500 751 706 A 86 PRO HBy A 86 PRO HGy 1.0 1.532 2.596 752 706 A 86 PRO HBy A 86 PRO HGx 1.0 1.532 2.596 753 707 A 86 PRO HDy A 86 PRO HGy 1.0 1.522 2.568 754 707 A 86 PRO HDy A 86 PRO HGx 1.0 1.522 2.568 755 708 A 86 PRO HGy A 86 PRO HDx 1.0 1.536 2.612 756 708 A 86 PRO HGx A 86 PRO HDx 1.0 1.536 2.612 757 709 A 86 PRO HGy A 86 PRO HA 1.0 1.667 3.065 758 709 A 86 PRO HGx A 86 PRO HA 1.0 1.667 3.065 759 710 A 62 THR HG2% A 61 PRO HGx 1.0 0.000 6.000 760 711 A 61 PRO HGx A 61 PRO HDy 1.0 1.592 2.796 761 712 A 61 PRO HDx A 61 PRO HGx 1.0 1.598 2.816 762 713 A 62 THR H A 61 PRO HGx 1.0 1.898 4.298 763 714 A 22 ARG HBx A 22 ARG HGx 1.0 1.655 3.021 764 715 A 22 ARG HGy A 22 ARG HGx 1.0 1.462 2.388 765 716 A 22 ARG HDy A 22 ARG HGx 1.0 1.745 3.397 766 717 A 22 ARG HE A 22 ARG HGy 1.0 1.920 4.478 767 718 A 22 ARG HE A 22 ARG HGx 1.0 1.914 4.432 768 719 A 22 ARG H A 22 ARG HGy 1.0 1.944 4.710 769 720 A 22 ARG H A 22 ARG HGx 1.0 1.910 4.400 770 721 A 23 ASP H A 22 ARG HGy 1.0 1.883 4.179 771 722 A 50 PRO HGx A 76 LYS HDx 1.0 1.710 3.244 772 723 A 50 PRO HGy A 76 LYS HGx 1.0 1.891 4.243 773 724 A 50 PRO HGy A 77 ILE HG1x 1.0 1.872 4.104 774 725 A 50 PRO HGx A 77 ILE HG1x 1.0 1.895 4.273 775 726 A 50 PRO HGy A 77 ILE HG2% 1.0 1.978 5.172 776 727 A 50 PRO HGx A 77 ILE HG2% 1.0 0.000 6.000 777 728 A 77 ILE HD1% A 50 PRO HGx 1.0 1.912 4.414 778 729 A 50 PRO HGy A 50 PRO HGx 1.0 1.453 2.363 779 730 A 50 PRO HBy A 50 PRO HGy 1.0 1.603 2.835 780 731 A 50 PRO HBy A 50 PRO HGx 1.0 1.618 2.888 781 732 A 50 PRO HGx A 73 ASN HBx 1.0 1.829 3.829 782 733 A 50 PRO HDy A 50 PRO HGx 1.0 1.670 3.082 783 734 A 50 PRO HGy A 76 LYS HEy 1.0 1.921 4.487 784 735 A 50 PRO HGx A 76 LYS HEy 1.0 1.894 4.268 785 736 A 50 PRO HA A 50 PRO HGx 1.0 1.821 3.785 786 737 A 49 ASN HA A 50 PRO HGy 1.0 0.000 6.000 787 738 A 49 ASN HA A 50 PRO HGx 1.0 1.934 4.620 788 739 A 49 ASN H A 50 PRO HGy 1.0 1.958 4.880 789 740 A 49 ASN H A 50 PRO HGx 1.0 1.921 4.485 790 741 A 35 GLY H A 50 PRO HGy 1.0 1.982 5.250 791 742 A 31 ARG HGy A 31 ARG HBx 1.0 1.800 3.668 792 743 A 31 ARG HGx A 93 VAL HGx% 1.0 1.902 4.328 793 744 A 31 ARG HGy A 31 ARG HGx 1.0 1.593 2.799 794 745 A 31 ARG HDy A 31 ARG HGx 1.0 1.814 3.742 795 746 A 31 ARG HGy A 31 ARG HA 1.0 1.808 3.712 796 747 A 31 ARG HGx A 31 ARG HA 1.0 1.843 3.913 797 748 A 31 ARG HGy A 31 ARG HE 1.0 1.758 3.462 798 749 A 31 ARG HGx A 31 ARG HE 1.0 1.765 3.491 799 750 A 83 GLU HBx A 83 GLU HBy 1.0 1.431 2.303 800 751 A 83 GLU HBy A 83 GLU HA 1.0 1.726 3.316 801 752 A 83 GLU HBx A 82 LYS HA 1.0 0.000 6.000 802 753 A 84 PRO HA A 83 GLU HBy 1.0 0.000 6.000 803 754 A 85 THR H A 83 GLU HBy 1.0 1.957 4.865 804 755 A 83 GLU H A 83 GLU HBy 1.0 1.720 3.286 805 756 A 6 HIS HBy A 6 HIS HBx 1.0 1.614 2.870 806 757 A 6 HIS HBy A 7 VAL HGx% 1.0 1.968 5.026 807 758 A 22 ARG H A 6 HIS HBx 1.0 1.936 4.632 808 759 A 7 VAL H A 6 HIS HBy 1.0 1.946 4.740 809 760 A 6 HIS H A 6 HIS HBy 1.0 1.816 3.756 810 761 A 6 HIS H A 6 HIS HBx 1.0 1.904 4.344 811 762 A 85 THR H A 85 THR HB 1.0 1.853 3.979 812 763 A 96 SER H A 85 THR HB 1.0 0.000 6.000 813 764 A 75 LYS HGy A 75 LYS HDx 1.0 1.629 2.923 814 765 A 93 VAL HB A 31 ARG HGy 1.0 0.000 6.000 815 766 A 72 GLU HBx A 75 LYS HDx 1.0 1.730 3.330 816 767 A 84 PRO HGy A 82 LYS HDx 1.0 0.000 6.000 817 768 A 82 LYS HDx A 82 LYS HBy 1.0 1.694 3.178 818 769 A 75 LYS HEy A 75 LYS HDx 1.0 1.641 2.971 819 769 A 75 LYS HEx A 75 LYS HDx 1.0 1.641 2.971 820 770 A 75 LYS HA A 75 LYS HDx 1.0 0.000 6.000 821 771 A 5 LYS HBx A 5 LYS HDy 1.0 1.570 2.720 822 771 A 5 LYS HDx A 5 LYS HBx 1.0 1.570 2.720 823 772 A 5 LYS HGy A 5 LYS HDy 1.0 1.612 2.866 824 772 A 5 LYS HGy A 5 LYS HDx 1.0 1.612 2.866 825 773 A 5 LYS HGx A 5 LYS HDy 1.0 1.663 3.053 826 773 A 5 LYS HGx A 5 LYS HDx 1.0 1.663 3.053 827 774 A 5 LYS HA A 5 LYS HDy 1.0 1.810 3.728 828 774 A 5 LYS HA A 5 LYS HDx 1.0 1.810 3.728 829 775 A 82 LYS HDy A 64 SER HBy 1.0 1.942 4.690 830 776 A 5 LYS H A 5 LYS HDy 1.0 1.905 4.353 831 776 A 5 LYS H A 5 LYS HDx 1.0 1.905 4.353 832 777 A 38 LYS HDx A 38 LYS HDy 1.0 1.294 1.954 833 778 A 38 LYS HEy A 38 LYS HDy 1.0 1.664 3.058 834 778 A 38 LYS HEx A 38 LYS HDy 1.0 1.664 3.058 835 779 A 38 LYS HA A 38 LYS HDy 1.0 1.848 3.942 836 780 A 38 LYS HA A 38 LYS HDx 1.0 1.870 4.090 837 781 A 46 GLU HBx A 73 ASN HD2x 1.0 1.957 4.869 838 782 A 38 LYS H A 38 LYS HDy 1.0 0.000 6.000 839 783 A 38 LYS H A 38 LYS HDx 1.0 1.916 4.446 840 784 A 39 GLY H A 38 LYS HDy 1.0 0.000 6.000 841 785 A 68 ALA HB% A 69 GLU HBx 1.0 0.000 6.000 842 786 A 69 GLU HA A 69 GLU HBy 1.0 1.629 2.925 843 787 A 69 GLU HA A 69 GLU HBx 1.0 1.636 2.950 844 788 A 68 ALA HA A 69 GLU HBx 1.0 0.000 6.000 845 789 A 43 THR H A 38 LYS HDy 1.0 1.971 5.069 846 790 A 70 SER H A 69 GLU HBy 1.0 1.859 4.011 847 791 A 70 SER H A 69 GLU HBx 1.0 1.858 4.008 848 792 A 69 GLU H A 69 GLU HBy 1.0 0.000 6.000 849 793 A 69 GLU H A 69 GLU HBx 1.0 1.604 2.836 850 794 A 72 GLU HBy A 75 LYS HGx 1.0 1.882 4.174 851 795 A 46 GLU HBx A 46 GLU H 1.0 0.000 6.000 852 796 A 37 LYS HGy A 37 LYS HDy 1.0 1.612 2.866 853 796 A 37 LYS HGx A 37 LYS HDy 1.0 1.612 2.866 854 797 A 37 LYS HGy A 37 LYS HDx 1.0 1.593 2.801 855 797 A 37 LYS HGx A 37 LYS HDx 1.0 1.593 2.801 856 798 A 45 VAL HGy% A 37 LYS HDy 1.0 1.880 4.166 857 799 A 45 VAL HGy% A 37 LYS HDx 1.0 0.000 6.000 858 800 A 37 LYS HDy A 37 LYS HDx 1.0 1.434 2.310 859 801 A 37 LYS HDx A 37 LYS HBy 1.0 1.732 3.336 860 802 A 47 ASN HBx A 37 LYS HDx 1.0 1.853 3.983 861 803 A 37 LYS HDy A 37 LYS HBy 1.0 1.708 3.234 862 804 A 46 GLU HBx A 45 VAL HB 1.0 1.960 4.916 863 805 A 45 VAL HB A 46 GLU HBy 1.0 1.909 4.379 864 806 A 37 LYS HEy A 37 LYS HDx 1.0 1.740 3.376 865 807 A 37 LYS HEx A 37 LYS HDy 1.0 1.734 3.346 866 808 A 47 ASN HBy A 37 LYS HDy 1.0 1.961 4.927 867 809 A 45 VAL HA A 46 GLU HBy 1.0 1.939 4.665 868 810 A 46 GLU HBx A 36 TYR HEy 1.0 0.000 6.000 869 810 A 46 GLU HBx A 36 TYR HEx 1.0 0.000 6.000 870 811 A 36 TYR HEx A 46 GLU HBy 1.0 1.934 4.612 871 812 A 48 ASN HD2y A 46 GLU HBy 1.0 1.947 4.755 872 813 A 46 GLU H A 46 GLU HBy 1.0 1.627 2.917 873 814 A 37 LYS H A 37 LYS HDx 1.0 0.000 6.000 874 815 A 38 LYS H A 37 LYS HDy 1.0 0.000 6.000 875 816 A 47 ASN HD2y A 37 LYS HDy 1.0 1.980 5.212 876 817 A 47 ASN HD2y A 37 LYS HDx 1.0 1.946 4.734 877 818 A 47 ASN HD2x A 37 LYS HDy 1.0 1.975 5.133 878 819 A 47 ASN HD2x A 37 LYS HDx 1.0 1.933 4.597 879 820 A 37 LYS HDx A 47 ASN HA 1.0 1.909 4.387 880 821 A 11 THR HG2% A 28 LYS HDy 1.0 1.885 4.193 881 822 A 14 ILE HD1% A 28 LYS HDy 1.0 1.862 4.034 882 823 A 72 GLU HBy A 72 GLU HBx 1.0 1.382 2.170 883 824 A 76 LYS HDy A 76 LYS HEy 1.0 1.675 3.099 884 825 A 12 ARG HBy A 12 ARG HA 1.0 1.680 3.118 885 826 A 12 ARG HBy A 12 ARG HE 1.0 1.912 4.410 886 827 A 12 ARG HBy A 12 ARG H 1.0 1.694 3.180 887 828 A 12 ARG HE A 12 ARG HBx 1.0 1.919 4.465 888 829 A 76 LYS HDx A 76 LYS HBy 1.0 1.789 3.613 889 830 A 50 PRO HDy A 76 LYS HDy 1.0 1.910 4.398 890 831 A 73 ASN HA A 76 LYS HDx 1.0 1.732 3.336 891 832 A 73 ASN HA A 76 LYS HDy 1.0 0.000 6.000 892 833 A 76 LYS HDx A 77 ILE HA 1.0 0.000 6.000 893 834 A 76 LYS H A 76 LYS HDx 1.0 1.974 5.110 894 835 A 22 ARG HGy A 22 ARG HBx 1.0 1.723 3.299 895 836 A 22 ARG HBx A 22 ARG HBy 1.0 1.492 2.476 896 837 A 22 ARG HBx A 21 PHE HA 1.0 1.961 4.923 897 838 A 22 ARG HBy A 21 PHE HA 1.0 1.979 5.203 898 839 A 8 CYS HA A 22 ARG HBx 1.0 1.842 3.912 899 840 A 8 CYS HA A 22 ARG HBy 1.0 1.930 4.574 900 841 A 6 HIS HA A 22 ARG HBy 1.0 0.000 6.000 901 842 A 6 HIS HA A 22 ARG HBx 1.0 0.000 6.000 902 843 A 22 ARG HBy A 22 ARG HA 1.0 1.789 3.613 903 844 A 22 ARG HBx A 22 ARG HA 1.0 1.720 3.286 904 845 A 23 ASP H A 22 ARG HBy 1.0 1.957 4.869 905 846 A 23 ASP H A 22 ARG HBx 1.0 1.926 4.534 906 847 A 86 PRO HBy A 86 PRO HBx 1.0 1.327 2.031 907 848 A 86 PRO HBy A 5 LYS HGx 1.0 1.964 4.966 908 849 A 86 PRO HDx A 86 PRO HBx 1.0 0.000 6.000 909 850 A 86 PRO HBy A 5 LYS HA 1.0 1.767 3.499 910 851 A 86 PRO HBy A 86 PRO HDx 1.0 1.811 3.731 911 852 A 86 PRO HBy A 86 PRO HA 1.0 0.000 6.000 912 853 A 86 PRO HBy A 5 LYS H 1.0 1.866 4.062 913 854 A 5 LYS H A 86 PRO HBx 1.0 1.815 3.753 914 855 A 16 LYS HBy A 16 LYS HGy 1.0 1.520 2.562 915 856 A 17 ASN HD2y A 16 LYS HBy 1.0 1.975 5.133 916 857 A 17 ASN HD2x A 16 LYS HBy 1.0 1.977 5.167 917 858 A 17 ASN HD2y A 16 LYS HBx 1.0 1.965 4.985 918 859 A 17 ASN HD2x A 16 LYS HBx 1.0 1.968 5.018 919 860 A 16 LYS HGy A 16 LYS HBx 1.0 0.000 6.000 920 861 A 16 LYS H A 16 LYS HBx 1.0 0.000 6.000 921 862 A 5 LYS HBy A 5 LYS H 1.0 1.683 3.133 922 863 A 17 ASN H A 16 LYS HBy 1.0 0.000 6.000 923 864 A 17 ASN H A 16 LYS HBx 1.0 1.809 3.719 924 865 A 11 THR HG2% A 9 VAL HB 1.0 1.965 4.977 925 866 A 10 ASP HBy A 9 VAL HB 1.0 1.959 4.901 926 867 A 10 ASP HBx A 9 VAL HB 1.0 1.958 4.890 927 868 A 9 VAL HB A 9 VAL HA 1.0 0.000 6.000 928 869 A 8 CYS HA A 9 VAL HB 1.0 0.000 6.000 929 870 A 10 ASP H A 9 VAL HB 1.0 1.691 3.167 930 871 A 9 VAL H A 9 VAL HB 1.0 1.653 3.015 931 872 A 15 PRO HGx A 15 PRO HBy 1.0 1.738 3.368 932 873 A 15 PRO HBx A 15 PRO HGx 1.0 1.737 3.363 933 874 A 15 PRO HBx A 15 PRO HGy 1.0 1.729 3.325 934 875 A 15 PRO HBy A 15 PRO HGy 1.0 1.700 3.202 935 876 A 77 ILE HD1% A 50 PRO HBx 1.0 1.768 3.506 936 877 A 50 PRO HBy A 77 ILE HD1% 1.0 1.850 3.958 937 878 A 5 LYS HGx A 5 LYS HBx 1.0 1.770 3.520 938 879 A 5 LYS HBy A 5 LYS HGx 1.0 1.748 3.416 939 880 A 5 LYS HBy A 5 LYS HGy 1.0 1.736 3.358 940 881 A 5 LYS HGy A 5 LYS HBx 1.0 1.704 3.216 941 882 A 77 ILE HG2% A 50 PRO HBx 1.0 1.883 4.189 942 883 A 15 PRO HBx A 15 PRO HBy 1.0 1.466 2.398 943 884 A 5 LYS HBy A 5 LYS HBx 1.0 1.371 2.141 944 885 A 77 ILE HG1x A 50 PRO HBx 1.0 1.751 3.429 945 886 A 77 ILE HG1y A 50 PRO HBx 1.0 1.681 3.125 946 887 A 50 PRO HBy A 50 PRO HBx 1.0 1.471 2.415 947 888 A 50 PRO HGy A 50 PRO HBx 1.0 1.665 3.059 948 889 A 15 PRO HDy A 15 PRO HBy 1.0 1.885 4.199 949 890 A 50 PRO HDx A 50 PRO HBx 1.0 1.872 4.102 950 891 A 50 PRO HDy A 50 PRO HBx 1.0 1.837 3.881 951 892 A 15 PRO HBy A 43 THR HA 1.0 1.733 3.345 952 893 A 15 PRO HBx A 43 THR HA 1.0 1.821 3.783 953 894 A 15 PRO HBx A 18 ALA H 1.0 1.967 5.005 954 895 A 47 ASN HD2x A 50 PRO HBy 1.0 1.899 4.301 955 896 A 47 ASN HD2x A 50 PRO HBx 1.0 1.944 4.716 956 897 A 16 LYS H A 15 PRO HBx 1.0 1.819 3.773 957 898 A 6 HIS H A 5 LYS HBx 1.0 0.000 6.000 958 899 A 16 LYS H A 15 PRO HBy 1.0 1.758 3.456 959 900 A 5 LYS H A 5 LYS HBx 1.0 0.000 6.000 960 901 A 51 THR H A 50 PRO HBx 1.0 1.837 3.881 961 902 A 44 CYS H A 15 PRO HBx 1.0 1.913 4.417 962 903 A 44 CYS H A 15 PRO HBy 1.0 1.865 4.055 963 904 A 61 PRO HBx A 61 PRO HBy 1.0 1.375 2.153 964 905 A 61 PRO HGx A 61 PRO HBy 1.0 1.523 2.569 965 906 A 62 THR HG2% A 61 PRO HBy 1.0 0.000 6.000 966 907 A 62 THR HG2% A 61 PRO HBx 1.0 1.767 3.501 967 908 A 61 PRO HDx A 61 PRO HBy 1.0 1.832 3.848 968 909 A 61 PRO HDx A 61 PRO HBx 1.0 1.804 3.694 969 910 A 62 THR H A 61 PRO HBx 1.0 1.858 4.012 970 911 A 62 THR H A 61 PRO HBy 1.0 1.914 4.434 971 912 A 4 PRO HBx A 4 PRO HGx 1.0 1.654 3.018 972 913 A 86 PRO HBy A 4 PRO HBx 1.0 1.914 4.424 973 914 A 4 PRO HDy A 4 PRO HBy 1.0 1.869 4.085 974 915 A 7 VAL H A 7 VAL HB 1.0 0.000 6.000 975 916 A 8 CYS H A 7 VAL HB 1.0 1.871 4.093 976 917 A 45 VAL HGy% A 38 LYS HBy 1.0 0.000 6.000 977 918 A 37 LYS HBx A 38 LYS HBy 1.0 0.000 6.000 978 919 A 2 VAL HA A 2 VAL HB 1.0 1.640 2.964 979 920 A 38 LYS HA A 38 LYS HBx 1.0 1.714 3.260 980 921 A 38 LYS HA A 38 LYS HGx 1.0 1.724 3.302 981 922 A 2 VAL H A 2 VAL HB 1.0 1.629 2.925 982 923 A 40 GLU H A 38 LYS HBy 1.0 0.000 6.000 983 924 A 2 VAL HB A 3 ASP H 1.0 1.731 3.335 984 925 A 38 LYS H A 38 LYS HBx 1.0 0.000 6.000 985 926 A 39 GLY H A 38 LYS HBx 1.0 1.838 3.888 986 927 A 4 PRO HDx A 4 PRO HBy 1.0 1.819 3.773 987 928 A 4 PRO HBx A 87 ASN HA 1.0 1.924 4.514 988 929 A 87 ASN H A 4 PRO HBx 1.0 1.952 4.808 989 930 A 87 ASN H A 4 PRO HBy 1.0 1.968 5.018 990 931 A 4 PRO HBx A 4 PRO HBy 1.0 1.486 2.458 991 932 A 84 PRO HBy A 84 PRO HGx 1.0 1.657 3.031 992 933 A 84 PRO HBx A 84 PRO HGx 1.0 1.685 3.139 993 934 A 85 THR HG2% A 84 PRO HBx 1.0 1.922 4.496 994 935 A 84 PRO HBx A 84 PRO HBy 1.0 1.452 2.362 995 936 A 84 PRO HGy A 84 PRO HBy 1.0 1.621 2.897 996 937 A 84 PRO HDy A 84 PRO HBy 1.0 1.848 3.946 997 938 A 84 PRO HDx A 84 PRO HBy 1.0 0.000 6.000 998 939 A 84 PRO HBy A 84 PRO HA 1.0 1.682 3.128 999 940 A 85 THR H A 84 PRO HBy 1.0 1.965 4.973 1000 941 A 21 PHE H A 29 GLU HBy 1.0 1.973 5.101 1001 942 A 21 PHE H A 29 GLU HBx 1.0 1.954 4.832 1002 943 A 30 TRP H A 29 GLU HBy 1.0 1.820 3.778 1003 944 A 30 TRP HD1 A 29 GLU HBy 1.0 1.919 4.465 1004 945 A 30 TRP HD1 A 29 GLU HBx 1.0 0.000 6.000 1005 946 A 29 GLU HBx A 94 PHE HDy 1.0 1.902 4.322 1006 946 A 29 GLU HBx A 94 PHE HDx 1.0 1.902 4.322 1007 947 A 29 GLU HBy A 29 GLU HGx 1.0 1.652 3.010 1008 948 A 29 GLU HBy A 29 GLU HGy 1.0 1.585 2.771 1009 949 A 29 GLU HBx A 29 GLU HGy 1.0 0.000 6.000 1010 950 A 21 PHE HBx A 29 GLU HBx 1.0 1.949 4.777 1011 951 A 67 ASN H A 66 GLN HGy 1.0 0.000 6.000 1012 952 A 66 GLN HA A 66 GLN HGy 1.0 1.686 3.146 1013 953 A 66 GLN HA A 66 GLN HGx 1.0 0.000 6.000 1014 954 A 66 GLN HGx A 78 ILE HB 1.0 1.692 3.166 1015 955 A 30 TRP HBy A 30 TRP HBx 1.0 1.566 2.706 1016 956 A 30 TRP HBy A 15 PRO HDx 1.0 1.930 4.582 1017 957 A 18 ALA HB% A 30 TRP HBy 1.0 1.737 3.361 1018 958 A 30 TRP HBx A 14 ILE HG2% 1.0 1.672 3.090 1019 959 A 30 TRP HBy A 20 CYS HA 1.0 1.895 4.275 1020 960 A 14 ILE H A 30 TRP HBy 1.0 1.960 4.912 1021 961 A 30 TRP HBx A 18 ALA H 1.0 0.000 6.000 1022 962 A 30 TRP HD1 A 30 TRP HBx 1.0 1.891 4.239 1023 963 A 28 LYS HBy A 14 ILE HD1% 1.0 1.907 4.367 1024 964 A 78 ILE HD1% A 66 GLN HBy 1.0 1.856 4.002 1025 965 A 66 GLN HBx A 78 ILE HD1% 1.0 1.862 4.038 1026 966 A 68 ALA HB% A 66 GLN HBy 1.0 1.949 4.773 1027 967 A 68 ALA HB% A 66 GLN HBx 1.0 1.935 4.625 1028 968 A 11 THR HG2% A 28 LYS HBx 1.0 1.955 4.849 1029 969 A 78 ILE HB A 66 GLN HBy 1.0 1.816 3.756 1030 970 A 66 GLN HBx A 78 ILE HB 1.0 1.829 3.827 1031 971 A 66 GLN HBx A 66 GLN HBy 1.0 1.237 1.821 1032 972 A 28 LYS HBy A 22 ARG HDx 1.0 0.000 6.000 1033 973 A 28 LYS HBx A 22 ARG HDx 1.0 1.777 3.549 1034 974 A 28 LYS HBy A 27 THR HA 1.0 0.000 6.000 1035 975 A 66 GLN HA A 66 GLN HBy 1.0 1.799 3.661 1036 976 A 66 GLN HBx A 66 GLN HA 1.0 1.803 3.685 1037 977 A 66 GLN HE2x A 66 GLN HBy 1.0 1.906 4.358 1038 978 A 66 GLN HBx A 66 GLN HE2x 1.0 1.936 4.636 1039 979 A 66 GLN HE2y A 66 GLN HBy 1.0 1.838 3.886 1040 980 A 66 GLN HBx A 66 GLN HE2y 1.0 1.876 4.132 1041 981 A 66 GLN HBx A 66 GLN H 1.0 1.859 4.015 1042 982 A 67 ASN H A 66 GLN HBy 1.0 1.843 3.919 1043 983 A 28 LYS HBy A 28 LYS H 1.0 1.699 3.197 1044 984 A 28 LYS HBx A 28 LYS H 1.0 0.000 6.000 1045 985 A 29 GLU H A 28 LYS HBy 1.0 1.866 4.066 1046 986 A 76 LYS HDy A 76 LYS HBy 1.0 1.709 3.241 1047 987 A 76 LYS HBx A 76 LYS HBy 1.0 1.516 2.550 1048 988 A 76 LYS HGx A 76 LYS HBy 1.0 1.688 3.152 1049 989 A 76 LYS HBx A 76 LYS HEx 1.0 1.927 4.543 1050 990 A 76 LYS HEx A 76 LYS HBy 1.0 1.922 4.496 1051 991 A 76 LYS HBx A 76 LYS HEy 1.0 1.939 4.663 1052 992 A 76 LYS HEy A 76 LYS HBy 1.0 1.933 4.605 1053 993 A 76 LYS HBx A 76 LYS HA 1.0 1.775 3.539 1054 994 A 76 LYS H A 76 LYS HBy 1.0 1.847 3.937 1055 995 A 76 LYS H A 76 LYS HBx 1.0 1.799 3.665 1056 996 A 77 ILE H A 76 LYS HBy 1.0 1.938 4.652 1057 997 A 45 VAL HA A 45 VAL HB 1.0 1.581 2.755 1058 998 A 46 GLU H A 45 VAL HB 1.0 1.563 2.697 1059 999 A 31 ARG HBx A 31 ARG HBy 1.0 1.602 2.826 1060 1000 A 80 THR HG2% A 82 LYS HBy 1.0 1.921 4.485 1061 1001 A 31 ARG HBy A 31 ARG HGx 1.0 1.761 3.473 1062 1002 A 82 LYS HBy A 82 LYS HBx 1.0 1.330 2.040 1063 1003 A 31 ARG HDy A 31 ARG HBy 1.0 1.831 3.839 1064 1004 A 90 TYR HBy A 90 TYR HBx 1.0 1.549 2.651 1065 1005 A 31 ARG HBy A 31 ARG HA 1.0 1.782 3.580 1066 1006 A 90 TYR HBy A 94 PHE HEy 1.0 1.954 4.828 1067 1006 A 90 TYR HBy A 94 PHE HEx 1.0 1.954 4.828 1068 1007 A 94 PHE HEy A 90 TYR HBx 1.0 1.940 4.674 1069 1007 A 94 PHE HEx A 90 TYR HBx 1.0 1.940 4.674 1070 1008 A 94 PHE H A 90 TYR HBx 1.0 0.000 6.000 1071 1009 A 90 TYR H A 90 TYR HBx 1.0 1.927 4.545 1072 1010 A 90 TYR HBy A 90 TYR H 1.0 1.916 4.442 1073 1011 A 91 GLU H A 90 TYR HBx 1.0 1.963 4.949 1074 1012 A 82 LYS H A 82 LYS HBy 1.0 1.832 3.852 1075 1013 A 82 LYS H A 82 LYS HBx 1.0 1.792 3.628 1076 1014 A 83 GLU H A 82 LYS HBy 1.0 1.710 3.244 1077 1015 A 83 GLU H A 82 LYS HBx 1.0 1.744 3.396 1078 1016 A 33 LEU HDy% A 17 ASN HBx 1.0 1.856 3.998 1079 1017 A 33 LEU HBx A 17 ASN HBx 1.0 1.950 4.792 1080 1018 A 17 ASN HBy A 17 ASN HBx 1.0 1.517 2.551 1081 1019 A 44 CYS HBy A 17 ASN HBx 1.0 1.793 3.631 1082 1020 A 17 ASN HA A 17 ASN HBy 1.0 1.768 3.510 1083 1021 A 18 ALA H A 17 ASN HBx 1.0 1.950 4.782 1084 1022 A 17 ASN HD2y A 17 ASN HBx 1.0 1.748 3.410 1085 1023 A 17 ASN HD2x A 17 ASN HBx 1.0 0.000 6.000 1086 1024 A 17 ASN HBy A 18 ALA H 1.0 1.954 4.832 1087 1025 A 17 ASN HBy A 36 TYR HEx 1.0 1.928 4.550 1088 1026 A 17 ASN H A 17 ASN HBx 1.0 1.866 4.066 1089 1027 A 17 ASN HBy A 17 ASN H 1.0 1.917 4.461 1090 1028 A 31 ARG HBx A 31 ARG HGx 1.0 1.805 3.699 1091 1029 A 31 ARG HDx A 31 ARG HBx 1.0 1.814 3.744 1092 1030 A 31 ARG HGy A 31 ARG HBy 1.0 1.711 3.247 1093 1031 A 40 GLU HGy A 45 VAL HGx% 1.0 1.912 4.404 1094 1032 A 40 GLU HGy A 45 VAL HGy% 1.0 1.858 4.012 1095 1033 A 72 GLU HGy A 75 LYS HGy 1.0 1.801 3.677 1096 1033 A 72 GLU HGx A 75 LYS HGy 1.0 1.801 3.677 1097 1034 A 72 GLU HGy A 75 LYS HGx 1.0 1.769 3.511 1098 1034 A 72 GLU HGx A 75 LYS HGx 1.0 1.769 3.511 1099 1035 A 72 GLU HGy A 72 GLU HBx 1.0 1.470 2.410 1100 1035 A 72 GLU HGx A 72 GLU HBx 1.0 1.470 2.410 1101 1036 A 72 GLU HGy A 75 LYS HDy 1.0 1.830 3.834 1102 1036 A 72 GLU HGx A 75 LYS HDy 1.0 1.830 3.834 1103 1037 A 72 GLU HGy A 75 LYS HDx 1.0 1.794 3.640 1104 1037 A 72 GLU HGx A 75 LYS HDx 1.0 1.794 3.640 1105 1038 A 43 THR HB A 40 GLU HGy 1.0 1.909 4.379 1106 1039 A 72 GLU HGy A 72 GLU HA 1.0 1.584 2.768 1107 1039 A 72 GLU HGx A 72 GLU HA 1.0 1.584 2.768 1108 1040 A 75 LYS H A 72 GLU HGy 1.0 0.000 6.000 1109 1040 A 75 LYS H A 72 GLU HGx 1.0 0.000 6.000 1110 1041 A 72 GLU HGy A 72 GLU H 1.0 1.622 2.900 1111 1041 A 72 GLU HGx A 72 GLU H 1.0 1.622 2.900 1112 1042 A 39 GLY H A 40 GLU HGy 1.0 1.738 3.370 1113 1043 A 40 GLU HGy A 40 GLU H 1.0 1.670 3.078 1114 1044 A 73 ASN H A 72 GLU HGy 1.0 0.000 6.000 1115 1044 A 73 ASN H A 72 GLU HGx 1.0 0.000 6.000 1116 1045 A 45 VAL HGy% A 37 LYS HBy 1.0 1.917 4.457 1117 1046 A 37 LYS HBx A 37 LYS HGy 1.0 1.679 3.119 1118 1046 A 37 LYS HBx A 37 LYS HGx 1.0 1.679 3.119 1119 1047 A 37 LYS HBx A 45 VAL HGy% 1.0 1.922 4.496 1120 1048 A 37 LYS HBx A 37 LYS HDx 1.0 1.778 3.558 1121 1049 A 37 LYS HGy A 37 LYS HBy 1.0 1.614 2.870 1122 1049 A 37 LYS HGx A 37 LYS HBy 1.0 1.614 2.870 1123 1050 A 37 LYS HBx A 37 LYS HBy 1.0 1.484 2.454 1124 1051 A 37 LYS HBx A 47 ASN HBx 1.0 1.810 3.724 1125 1052 A 38 LYS HGx A 32 CYS HBx 1.0 1.951 4.799 1126 1053 A 37 LYS HBx A 37 LYS HEy 1.0 1.960 4.916 1127 1054 A 36 TYR HBy A 32 CYS HBx 1.0 1.790 3.622 1128 1055 A 32 CYS HBx A 32 CYS HBy 1.0 1.505 2.515 1129 1056 A 36 TYR HBy A 32 CYS HBy 1.0 1.756 3.448 1130 1057 A 31 ARG HA A 32 CYS HBy 1.0 0.000 6.000 1131 1058 A 32 CYS HA A 32 CYS HBy 1.0 1.721 3.291 1132 1059 A 32 CYS HA A 32 CYS HBx 1.0 1.737 3.363 1133 1060 A 47 ASN HD2x A 37 LYS HBy 1.0 1.957 4.865 1134 1061 A 47 ASN HD2x A 37 LYS HBx 1.0 1.927 4.543 1135 1062 A 33 LEU H A 32 CYS HBx 1.0 1.851 3.963 1136 1063 A 47 ASN HD2y A 37 LYS HBy 1.0 1.938 4.646 1137 1064 A 37 LYS HBx A 47 ASN HD2y 1.0 0.000 6.000 1138 1065 A 38 LYS H A 37 LYS HBy 1.0 0.000 6.000 1139 1066 A 32 CYS H A 32 CYS HBy 1.0 1.772 3.528 1140 1067 A 32 CYS H A 32 CYS HBx 1.0 0.000 6.000 1141 1068 A 37 LYS H A 32 CYS HBx 1.0 1.962 4.934 1142 1069 A 15 PRO HDy A 14 ILE HB 1.0 0.000 6.000 1143 1070 A 46 GLU HA A 46 GLU HGy 1.0 1.787 3.603 1144 1071 A 14 ILE HB A 14 ILE HA 1.0 1.787 3.601 1145 1072 A 36 TYR HEy A 46 GLU HGy 1.0 1.856 3.992 1146 1072 A 36 TYR HEx A 46 GLU HGy 1.0 1.856 3.992 1147 1073 A 48 ASN HD2x A 46 GLU HGy 1.0 1.950 4.782 1148 1074 A 48 ASN HD2y A 46 GLU HGy 1.0 1.944 4.716 1149 1075 A 47 ASN H A 46 GLU HGy 1.0 1.871 4.095 1150 1076 A 46 GLU H A 46 GLU HGy 1.0 0.000 6.000 1151 1077 A 14 ILE H A 14 ILE HB 1.0 1.644 2.982 1152 1078 A 91 GLU HBy A 91 GLU HGy 1.0 1.541 2.629 1153 1079 A 91 GLU HBy A 91 GLU HGx 1.0 1.552 2.664 1154 1080 A 91 GLU HA A 91 GLU HGy 1.0 0.000 6.000 1155 1081 A 91 GLU HA A 91 GLU HGx 1.0 1.664 3.058 1156 1082 A 90 TYR HA A 91 GLU HGy 1.0 1.892 4.250 1157 1083 A 90 TYR HA A 91 GLU HGx 1.0 1.897 4.289 1158 1084 A 91 GLU H A 91 GLU HBx 1.0 0.000 6.000 1159 1085 A 91 GLU H A 91 GLU HGx 1.0 1.745 3.399 1160 1086 A 93 VAL HGy% A 91 GLU HGy 1.0 1.921 4.485 1161 1087 A 34 LEU HDx% A 91 GLU HGy 1.0 1.796 3.650 1162 1088 A 34 LEU HDx% A 91 GLU HGx 1.0 1.804 3.692 1163 1089 A 59 CYS HBy A 59 CYS HBx 1.0 1.526 2.580 1164 1090 A 59 CYS HBx A 63 ALA HB% 1.0 1.688 3.150 1165 1091 A 43 THR HG2% A 42 ASN HBx 1.0 1.927 4.539 1166 1091 A 43 THR HG2% A 42 ASN HBy 1.0 1.927 4.539 1167 1092 A 59 CYS HBy A 77 ILE HG2% 1.0 1.952 4.808 1168 1093 A 59 CYS HBy A 34 LEU HDy% 1.0 1.975 5.119 1169 1094 A 77 ILE HD1% A 52 CYS HBy 1.0 1.964 4.966 1170 1095 A 59 CYS HBy A 79 CYS HBy 1.0 1.936 4.630 1171 1096 A 59 CYS HBx A 79 CYS HBy 1.0 1.910 4.396 1172 1097 A 52 CYS HA A 52 CYS HBy 1.0 1.660 3.038 1173 1098 A 41 GLY HAx A 42 ASN HBy 1.0 1.935 4.625 1174 1098 A 41 GLY HAx A 42 ASN HBx 1.0 1.935 4.625 1175 1099 A 59 CYS HBy A 56 ASN HD2y 1.0 1.836 3.872 1176 1100 A 56 ASN HD2y A 59 CYS HBx 1.0 1.887 4.213 1177 1101 A 42 ASN HD2x A 42 ASN HBy 1.0 1.767 3.505 1178 1101 A 42 ASN HD2x A 42 ASN HBx 1.0 1.767 3.505 1179 1102 A 43 THR H A 42 ASN HBy 1.0 1.869 4.079 1180 1102 A 43 THR H A 42 ASN HBx 1.0 1.869 4.079 1181 1103 A 42 ASN HD2y A 42 ASN HBy 1.0 1.697 3.191 1182 1103 A 42 ASN HD2y A 42 ASN HBx 1.0 1.697 3.191 1183 1104 A 53 ASP H A 52 CYS HBy 1.0 1.890 4.234 1184 1105 A 52 CYS H A 52 CYS HBy 1.0 1.734 3.348 1185 1106 A 42 ASN H A 42 ASN HBy 1.0 1.677 3.109 1186 1106 A 42 ASN H A 42 ASN HBx 1.0 1.677 3.109 1187 1107 A 15 PRO HGx A 42 ASN HBy 1.0 1.900 4.308 1188 1107 A 15 PRO HGx A 42 ASN HBx 1.0 1.900 4.308 1189 1108 A 77 ILE HD1% A 52 CYS HBx 1.0 1.958 4.884 1190 1109 A 52 CYS HA A 52 CYS HBx 1.0 1.730 3.332 1191 1110 A 53 ASP H A 52 CYS HBx 1.0 1.879 4.157 1192 1111 A 52 CYS H A 52 CYS HBx 1.0 1.702 3.206 1193 1112 A 54 ILE HG2% A 55 ASN HBy 1.0 0.000 6.000 1194 1113 A 54 ILE HG2% A 55 ASN HBx 1.0 1.620 2.892 1195 1114 A 88 ALA HB% A 81 CYS HBy 1.0 1.879 4.159 1196 1115 A 63 ALA HB% A 81 CYS HBx 1.0 1.967 5.009 1197 1116 A 54 ILE HB A 55 ASN HBx 1.0 1.961 4.923 1198 1117 A 54 ILE HB A 55 ASN HBy 1.0 1.963 4.949 1199 1118 A 81 CYS HBy A 95 CYS HBx 1.0 1.920 4.478 1200 1119 A 55 ASN HBy A 55 ASN HBx 1.0 1.352 2.096 1201 1120 A 58 GLY HAx A 55 ASN HBx 1.0 1.949 4.779 1202 1121 A 81 CYS HBy A 81 CYS HBx 1.0 1.514 2.544 1203 1122 A 85 THR HB A 81 CYS HBx 1.0 0.000 6.000 1204 1123 A 85 THR HB A 81 CYS HBy 1.0 1.723 3.301 1205 1124 A 55 ASN HBx A 54 ILE HA 1.0 1.882 4.174 1206 1125 A 55 ASN HA A 55 ASN HBy 1.0 1.666 3.066 1207 1126 A 81 CYS HBy A 81 CYS HA 1.0 1.704 3.218 1208 1127 A 81 CYS HBx A 81 CYS HA 1.0 1.699 3.199 1209 1128 A 55 ASN HD2x A 55 ASN HBy 1.0 0.000 6.000 1210 1129 A 55 ASN HD2x A 55 ASN HBx 1.0 1.818 3.772 1211 1130 A 55 ASN HD2y A 55 ASN HBx 1.0 1.693 3.175 1212 1131 A 55 ASN HD2y A 55 ASN HBy 1.0 1.596 2.810 1213 1132 A 58 GLY H A 55 ASN HBy 1.0 1.855 3.989 1214 1133 A 87 ASN H A 81 CYS HBy 1.0 1.948 4.770 1215 1134 A 58 GLY H A 55 ASN HBx 1.0 1.905 4.355 1216 1135 A 57 GLY H A 55 ASN HBx 1.0 1.967 4.997 1217 1136 A 81 CYS H A 81 CYS HBy 1.0 1.779 3.561 1218 1137 A 82 LYS H A 81 CYS HBy 1.0 1.787 3.603 1219 1138 A 81 CYS H A 81 CYS HBx 1.0 1.686 3.144 1220 1139 A 82 LYS H A 81 CYS HBx 1.0 1.839 3.893 1221 1140 A 56 ASN H A 55 ASN HBx 1.0 1.928 4.552 1222 1141 A 55 ASN H A 55 ASN HBy 1.0 1.818 3.770 1223 1142 A 55 ASN H A 55 ASN HBx 1.0 1.759 3.467 1224 1143 A 77 ILE HG2% A 65 CYS HBy 1.0 1.967 4.997 1225 1144 A 59 CYS HBy A 65 CYS HBy 1.0 1.764 3.492 1226 1145 A 52 CYS HA A 65 CYS HBy 1.0 1.943 4.713 1227 1146 A 56 ASN HA A 65 CYS HBy 1.0 1.862 4.040 1228 1147 A 65 CYS HA A 65 CYS HBy 1.0 1.695 3.181 1229 1148 A 65 CYS H A 65 CYS HBy 1.0 1.700 3.200 1230 1149 A 66 GLN H A 65 CYS HBy 1.0 1.854 3.980 1231 1150 A 37 LYS HGy A 47 ASN HBy 1.0 1.820 3.776 1232 1150 A 37 LYS HGx A 47 ASN HBy 1.0 1.820 3.776 1233 1151 A 37 LYS HGy A 47 ASN HBx 1.0 1.769 3.511 1234 1151 A 37 LYS HGx A 47 ASN HBx 1.0 1.769 3.511 1235 1152 A 47 ASN HBy A 37 LYS HDx 1.0 0.000 6.000 1236 1153 A 47 ASN HBy A 47 ASN HBx 1.0 1.518 2.556 1237 1154 A 47 ASN HBx A 37 LYS HBy 1.0 1.846 3.936 1238 1155 A 46 GLU HA A 47 ASN HBx 1.0 1.933 4.605 1239 1156 A 47 ASN HBy A 47 ASN HA 1.0 1.791 3.619 1240 1157 A 47 ASN HBx A 47 ASN HA 1.0 1.788 3.608 1241 1158 A 37 LYS HA A 47 ASN HBx 1.0 1.933 4.597 1242 1159 A 47 ASN HBx A 36 TYR HA 1.0 1.896 4.280 1243 1160 A 47 ASN HBy A 36 TYR HA 1.0 1.909 4.381 1244 1161 A 47 ASN HD2x A 47 ASN HBy 1.0 1.845 3.925 1245 1162 A 47 ASN HBy A 47 ASN HD2y 1.0 1.764 3.486 1246 1163 A 47 ASN HD2y A 47 ASN HBx 1.0 0.000 6.000 1247 1164 A 37 LYS H A 47 ASN HBy 1.0 1.942 4.696 1248 1165 A 73 ASN HD2x A 48 ASN HBx 1.0 1.839 3.889 1249 1166 A 48 ASN HBx A 73 ASN HD2y 1.0 1.754 3.440 1250 1167 A 48 ASN H A 48 ASN HBx 1.0 1.705 3.225 1251 1168 A 79 CYS HBx A 79 CYS HBy 1.0 1.544 2.636 1252 1169 A 63 ALA HB% A 79 CYS HBy 1.0 1.875 4.119 1253 1170 A 79 CYS HBx A 63 ALA HB% 1.0 1.792 3.630 1254 1171 A 34 LEU HDx% A 79 CYS HBy 1.0 1.928 4.560 1255 1172 A 79 CYS HBx A 34 LEU HDx% 1.0 1.966 4.994 1256 1173 A 59 CYS HA A 79 CYS HBx 1.0 1.921 4.487 1257 1174 A 79 CYS HBx A 92 GLY HAy 1.0 0.000 6.000 1258 1175 A 59 CYS HA A 79 CYS HBy 1.0 1.924 4.520 1259 1176 A 80 THR H A 79 CYS HBy 1.0 1.892 4.244 1260 1177 A 79 CYS HBx A 79 CYS H 1.0 1.810 3.728 1261 1178 A 79 CYS H A 79 CYS HBy 1.0 1.760 3.470 1262 1179 A 87 ASN HBy A 87 ASN HBx 1.0 1.451 2.359 1263 1180 A 86 PRO HDx A 87 ASN HBx 1.0 1.921 4.491 1264 1181 A 87 ASN HBy A 87 ASN HA 1.0 1.746 3.406 1265 1182 A 87 ASN HA A 87 ASN HBx 1.0 1.697 3.191 1266 1183 A 87 ASN HBy A 87 ASN HD2y 1.0 1.829 3.829 1267 1184 A 87 ASN HD2y A 87 ASN HBx 1.0 1.858 4.008 1268 1185 A 87 ASN HD2x A 87 ASN HBy 1.0 1.727 3.319 1269 1186 A 87 ASN HD2x A 87 ASN HBx 1.0 1.750 3.418 1270 1187 A 87 ASN H A 87 ASN HBy 1.0 1.705 3.223 1271 1188 A 87 ASN H A 87 ASN HBx 1.0 1.751 3.427 1272 1189 A 87 ASN HBy A 88 ALA H 1.0 1.880 4.166 1273 1190 A 88 ALA H A 87 ASN HBx 1.0 1.814 3.748 1274 1191 A 96 SER H A 87 ASN HBx 1.0 1.896 4.276 1275 1192 A 56 ASN HBy A 56 ASN HBx 1.0 1.499 2.497 1276 1193 A 56 ASN HBy A 59 CYS HBx 1.0 1.923 4.505 1277 1194 A 56 ASN HBx A 59 CYS HBx 1.0 1.960 4.912 1278 1195 A 55 ASN HA A 56 ASN HBy 1.0 1.947 4.751 1279 1196 A 55 ASN HA A 56 ASN HBx 1.0 1.962 4.946 1280 1197 A 56 ASN HA A 56 ASN HBx 1.0 1.747 3.409 1281 1198 A 56 ASN HA A 56 ASN HBy 1.0 1.791 3.621 1282 1199 A 56 ASN HBy A 56 ASN HD2y 1.0 1.738 3.366 1283 1200 A 56 ASN HBx A 56 ASN HD2y 1.0 1.762 3.480 1284 1201 A 56 ASN HBx A 56 ASN HD2x 1.0 1.837 3.879 1285 1202 A 58 GLY H A 56 ASN HBx 1.0 1.952 4.802 1286 1203 A 58 GLY H A 56 ASN HBy 1.0 1.924 4.514 1287 1204 A 77 ILE HB A 77 ILE HG1y 1.0 1.658 3.034 1288 1205 A 77 ILE HG1x A 77 ILE HB 1.0 1.664 3.056 1289 1206 A 34 LEU HDy% A 77 ILE HB 1.0 1.770 3.518 1290 1207 A 77 ILE HD1% A 77 ILE HB 1.0 1.763 3.485 1291 1208 A 49 ASN HBx A 51 THR HG2% 1.0 0.000 6.000 1292 1209 A 49 ASN HBx A 49 ASN HBy 1.0 1.284 1.928 1293 1210 A 50 PRO HDx A 49 ASN HBx 1.0 0.000 6.000 1294 1211 A 77 ILE HA A 77 ILE HB 1.0 1.787 3.605 1295 1212 A 49 ASN HBx A 49 ASN HD2x 1.0 1.848 3.946 1296 1213 A 49 ASN H A 49 ASN HBx 1.0 1.693 3.171 1297 1214 A 49 ASN HBx A 49 ASN HD2y 1.0 0.000 6.000 1298 1215 A 51 THR HA A 67 ASN HBy 1.0 1.878 4.152 1299 1216 A 67 ASN HA A 67 ASN HBx 1.0 1.679 3.115 1300 1217 A 67 ASN HBy A 67 ASN HD2x 1.0 1.833 3.855 1301 1218 A 67 ASN HD2x A 67 ASN HBx 1.0 1.849 3.951 1302 1219 A 49 ASN HD2x A 49 ASN HBy 1.0 1.793 3.637 1303 1220 A 67 ASN HD2y A 67 ASN HBx 1.0 1.781 3.575 1304 1221 A 49 ASN H A 49 ASN HBy 1.0 1.701 3.209 1305 1222 A 67 ASN H A 67 ASN HBy 1.0 1.641 2.971 1306 1223 A 67 ASN H A 67 ASN HBx 1.0 1.651 3.009 1307 1224 A 54 ILE HG1x A 54 ILE HB 1.0 1.717 3.271 1308 1225 A 54 ILE HB A 54 ILE HA 1.0 1.756 3.450 1309 1226 A 25 ASP H A 25 ASP HBx 1.0 1.674 3.096 1310 1227 A 51 THR H A 54 ILE HB 1.0 1.950 4.792 1311 1228 A 53 ASP H A 54 ILE HB 1.0 0.000 6.000 1312 1229 A 54 ILE HB A 55 ASN H 1.0 1.954 4.828 1313 1230 A 25 ASP HBx A 25 ASP HBy 1.0 1.388 2.186 1314 1231 A 25 ASP H A 25 ASP HBy 1.0 1.744 3.390 1315 1232 A 78 ILE HB A 78 ILE HG1x 1.0 1.713 3.255 1316 1233 A 77 ILE HD1% A 78 ILE HB 1.0 0.000 6.000 1317 1234 A 78 ILE HB A 66 GLN HGy 1.0 0.000 6.000 1318 1235 A 78 ILE H A 78 ILE HB 1.0 1.642 2.976 1319 1236 A 78 ILE HB A 79 CYS H 1.0 1.930 4.582 1320 1237 A 34 LEU HDy% A 34 LEU HBx 1.0 1.716 3.272 1321 1238 A 34 LEU HDx% A 34 LEU HBy 1.0 1.657 3.033 1322 1239 A 34 LEU HDy% A 34 LEU HBy 1.0 1.758 3.460 1323 1240 A 93 VAL HGy% A 34 LEU HBy 1.0 1.874 4.116 1324 1241 A 34 LEU HBx A 34 LEU HBy 1.0 1.530 2.592 1325 1242 A 20 CYS HBy A 14 ILE HG2% 1.0 1.741 3.379 1326 1243 A 20 CYS HBy A 14 ILE HG1y 1.0 1.940 4.670 1327 1244 A 20 CYS HBx A 14 ILE HG1y 1.0 1.888 4.222 1328 1245 A 11 THR HG2% A 20 CYS HBx 1.0 1.752 3.432 1329 1246 A 20 CYS HBy A 14 ILE HB 1.0 1.984 5.300 1330 1247 A 20 CYS HBy A 20 CYS HBx 1.0 1.515 2.545 1331 1248 A 34 LEU HA A 34 LEU HBy 1.0 1.782 3.576 1332 1249 A 34 LEU HA A 34 LEU HBx 1.0 1.771 3.521 1333 1250 A 34 LEU H A 34 LEU HBy 1.0 1.770 3.520 1334 1251 A 34 LEU HBx A 34 LEU H 1.0 1.823 3.797 1335 1252 A 35 GLY H A 34 LEU HBy 1.0 1.904 4.340 1336 1253 A 21 PHE H A 20 CYS HBx 1.0 1.935 4.623 1337 1254 A 21 PHE H A 20 CYS HBy 1.0 1.926 4.532 1338 1255 A 54 ILE HD1% A 53 ASP HBy 1.0 1.929 4.565 1339 1256 A 54 ILE HD1% A 53 ASP HBx 1.0 1.909 4.381 1340 1257 A 54 ILE HG1x A 53 ASP HBx 1.0 1.905 4.353 1341 1258 A 54 ILE HG1x A 53 ASP HBy 1.0 1.932 4.592 1342 1259 A 51 THR HG2% A 53 ASP HBy 1.0 0.000 6.000 1343 1260 A 54 ILE HG1y A 53 ASP HBy 1.0 1.860 4.024 1344 1261 A 54 ILE HG1y A 53 ASP HBx 1.0 1.869 4.085 1345 1262 A 23 ASP HBy A 29 GLU HGx 1.0 1.957 4.865 1346 1262 A 23 ASP HBx A 29 GLU HGx 1.0 1.957 4.865 1347 1263 A 53 ASP HBx A 53 ASP HBy 1.0 1.328 2.036 1348 1264 A 23 ASP HBy A 27 THR HB 1.0 1.720 3.286 1349 1264 A 23 ASP HBx A 27 THR HB 1.0 1.720 3.286 1350 1265 A 54 ILE H A 53 ASP HBy 1.0 1.859 4.021 1351 1266 A 54 ILE H A 53 ASP HBx 1.0 1.866 4.062 1352 1267 A 23 ASP HBy A 25 ASP H 1.0 1.734 3.348 1353 1267 A 23 ASP HBx A 25 ASP H 1.0 1.734 3.348 1354 1268 A 23 ASP HBy A 24 ASP H 1.0 0.000 6.000 1355 1268 A 23 ASP HBx A 24 ASP H 1.0 0.000 6.000 1356 1269 A 23 ASP H A 23 ASP HBx 1.0 1.666 3.064 1357 1270 A 53 ASP H A 53 ASP HBy 1.0 0.000 6.000 1358 1271 A 53 ASP H A 53 ASP HBx 1.0 0.000 6.000 1359 1272 A 89 TYR H A 89 TYR HBx 1.0 1.757 3.453 1360 1273 A 95 CYS HBy A 95 CYS HBx 1.0 1.551 2.657 1361 1274 A 85 THR HG2% A 95 CYS HBx 1.0 1.942 4.698 1362 1275 A 95 CYS HBy A 85 THR HG2% 1.0 1.887 4.207 1363 1276 A 85 THR HB A 95 CYS HBx 1.0 1.797 3.653 1364 1277 A 95 CYS H A 95 CYS HBx 1.0 1.802 3.680 1365 1278 A 95 CYS HBy A 95 CYS H 1.0 1.839 3.889 1366 1279 A 96 SER H A 95 CYS HBx 1.0 1.909 4.387 1367 1280 A 33 LEU HBy A 36 TYR HBy 1.0 1.964 4.966 1368 1281 A 36 TYR HBy A 36 TYR HBx 1.0 1.558 2.680 1369 1282 A 32 CYS HBy A 36 TYR HBx 1.0 1.748 3.412 1370 1283 A 8 CYS HBy A 8 CYS HBx 1.0 1.458 2.376 1371 1284 A 7 VAL HA A 8 CYS HBx 1.0 0.000 6.000 1372 1285 A 36 TYR HA A 36 TYR HBx 1.0 1.764 3.490 1373 1286 A 36 TYR HBy A 36 TYR HEy 1.0 0.000 6.000 1374 1286 A 36 TYR HEx A 36 TYR HBy 1.0 0.000 6.000 1375 1287 A 36 TYR HEy A 36 TYR HBx 1.0 0.000 6.000 1376 1287 A 36 TYR HEx A 36 TYR HBx 1.0 0.000 6.000 1377 1288 A 10 ASP H A 8 CYS HBx 1.0 1.891 4.243 1378 1289 A 33 LEU H A 36 TYR HBy 1.0 1.888 4.220 1379 1290 A 8 CYS H A 8 CYS HBy 1.0 1.706 3.228 1380 1291 A 8 CYS H A 8 CYS HBx 1.0 0.000 6.000 1381 1292 A 45 VAL H A 36 TYR HBx 1.0 1.917 4.459 1382 1293 A 45 VAL H A 36 TYR HBy 1.0 1.950 4.792 1383 1294 A 37 LYS H A 36 TYR HBy 1.0 1.809 3.719 1384 1295 A 26 GLY HAx A 22 ARG HGy 1.0 1.821 3.785 1385 1296 A 26 GLY HAx A 22 ARG HGx 1.0 1.823 3.799 1386 1297 A 26 GLY HAx A 22 ARG HE 1.0 1.931 4.577 1387 1298 A 26 GLY H A 26 GLY HAx 1.0 1.603 2.833 1388 1299 A 2 VAL HGy% A 1 GLY HAy 1.0 1.840 3.896 1389 1300 A 2 VAL HB A 1 GLY HAy 1.0 0.000 6.000 1390 1301 A 2 VAL H A 1 GLY HAy 1.0 1.583 2.765 1391 1302 A 1 GLY HAy A 1 GLY H1 1.0 1.633 2.941 1392 1303 A 92 GLY HAy A 79 CYS HBy 1.0 1.687 3.149 1393 1304 A 88 ALA HA A 92 GLY HAy 1.0 1.912 4.416 1394 1305 A 92 GLY H A 92 GLY HAy 1.0 1.654 3.020 1395 1306 A 22 ARG HBx A 7 VAL HA 1.0 1.933 4.599 1396 1307 A 7 VAL HA A 7 VAL HB 1.0 1.684 3.136 1397 1308 A 2 VAL HA A 3 ASP HBx 1.0 1.950 4.782 1398 1309 A 7 VAL HA A 8 CYS HBy 1.0 1.854 3.986 1399 1310 A 8 CYS HA A 7 VAL HA 1.0 0.000 6.000 1400 1311 A 7 VAL HA A 21 PHE HA 1.0 0.000 6.000 1401 1312 A 7 VAL H A 7 VAL HA 1.0 1.733 3.345 1402 1313 A 8 CYS H A 7 VAL HA 1.0 1.498 2.494 1403 1314 A 49 ASN HA A 50 PRO HDx 1.0 1.553 2.667 1404 1315 A 49 ASN HA A 49 ASN HBy 1.0 1.597 2.815 1405 1316 A 3 ASP HBy A 3 ASP HA 1.0 1.741 3.381 1406 1317 A 49 ASN HA A 49 ASN HBx 1.0 0.000 6.000 1407 1318 A 86 PRO HBy A 3 ASP HA 1.0 0.000 6.000 1408 1319 A 86 PRO HDy A 3 ASP HA 1.0 0.000 6.000 1409 1320 A 4 PRO HDx A 4 PRO HA 1.0 1.904 4.344 1410 1321 A 4 PRO HBy A 4 PRO HA 1.0 1.639 2.961 1411 1322 A 4 PRO HGx A 4 PRO HA 1.0 1.816 3.756 1412 1323 A 4 PRO HBx A 4 PRO HA 1.0 1.633 2.941 1413 1324 A 5 LYS HDy A 4 PRO HA 1.0 0.000 6.000 1414 1324 A 5 LYS HDx A 4 PRO HA 1.0 0.000 6.000 1415 1325 A 87 ASN H A 4 PRO HA 1.0 0.000 6.000 1416 1326 A 98 SER H A 4 PRO HA 1.0 0.000 6.000 1417 1327 A 5 LYS HBy A 5 LYS HA 1.0 1.579 2.751 1418 1328 A 5 LYS HA A 5 LYS HBx 1.0 1.595 2.805 1419 1329 A 7 VAL HGx% A 5 LYS HA 1.0 1.741 3.379 1420 1330 A 5 LYS HGx A 5 LYS HA 1.0 1.831 3.847 1421 1331 A 7 VAL H A 5 LYS HA 1.0 1.853 3.977 1422 1332 A 6 HIS H A 5 LYS HA 1.0 1.729 3.329 1423 1333 A 5 LYS H A 5 LYS HA 1.0 1.630 2.930 1424 1334 A 8 CYS HA A 9 VAL HA 1.0 1.897 4.293 1425 1335 A 8 CYS HA A 8 CYS HBy 1.0 1.670 3.078 1426 1336 A 8 CYS HA A 8 CYS HBx 1.0 1.619 2.889 1427 1337 A 33 LEU HBy A 33 LEU HA 1.0 1.643 2.975 1428 1338 A 33 LEU HBx A 33 LEU HA 1.0 1.736 3.354 1429 1339 A 33 LEU HDx% A 33 LEU HA 1.0 1.498 2.494 1430 1340 A 10 ASP H A 9 VAL HA 1.0 0.000 6.000 1431 1341 A 98 SER H A 98 SER HBx 1.0 1.685 3.141 1432 1342 A 5 LYS H A 86 PRO HA 1.0 0.000 6.000 1433 1343 A 64 SER HA A 64 SER HBx 1.0 1.697 3.191 1434 1344 A 64 SER HA A 64 SER HBy 1.0 1.670 3.080 1435 1345 A 76 LYS HGy A 70 SER HBy 1.0 1.846 3.938 1436 1346 A 76 LYS HGx A 70 SER HBy 1.0 1.875 4.123 1437 1347 A 80 THR HG2% A 64 SER HBx 1.0 1.822 3.790 1438 1348 A 64 SER H A 64 SER HBy 1.0 1.704 3.216 1439 1349 A 64 SER H A 64 SER HBx 1.0 1.696 3.184 1440 1350 A 65 CYS H A 64 SER HBy 1.0 0.000 6.000 1441 1351 A 65 CYS H A 64 SER HBx 1.0 0.000 6.000 1442 1352 A 70 SER HBy A 70 SER HBx 1.0 1.467 2.401 1443 1353 A 76 LYS HDy A 70 SER HBx 1.0 1.806 3.702 1444 1354 A 76 LYS HGy A 70 SER HBx 1.0 1.885 4.199 1445 1355 A 76 LYS HGx A 70 SER HBx 1.0 1.883 4.185 1446 1356 A 68 ALA HB% A 70 SER HBx 1.0 1.927 4.541 1447 1357 A 72 GLU HBx A 70 SER HBy 1.0 1.791 3.625 1448 1358 A 72 GLU H A 70 SER HBx 1.0 1.886 4.206 1449 1359 A 71 THR H A 70 SER HBx 1.0 1.916 4.438 1450 1360 A 70 SER H A 70 SER HBx 1.0 1.828 3.824 1451 1361 A 72 GLU H A 70 SER HBy 1.0 1.863 4.047 1452 1362 A 71 THR H A 70 SER HBy 1.0 1.891 4.243 1453 1363 A 70 SER H A 70 SER HBy 1.0 1.823 3.795 1454 1364 A 50 PRO HA A 50 PRO HDy 1.0 0.000 6.000 1455 1365 A 50 PRO HA A 50 PRO HGy 1.0 0.000 6.000 1456 1366 A 50 PRO HA A 50 PRO HBx 1.0 1.677 3.109 1457 1367 A 50 PRO HA A 51 THR HG2% 1.0 1.819 3.771 1458 1368 A 47 ASN HD2x A 50 PRO HA 1.0 1.687 3.145 1459 1369 A 50 PRO HA A 47 ASN HD2y 1.0 1.749 3.419 1460 1370 A 74 SER HBy A 74 SER HBx 1.0 1.415 2.261 1461 1371 A 74 SER H A 74 SER HBy 1.0 0.000 6.000 1462 1372 A 74 SER H A 74 SER HBx 1.0 1.744 3.392 1463 1373 A 71 THR H A 71 THR HA 1.0 1.696 3.188 1464 1374 A 72 GLU H A 71 THR HA 1.0 1.759 3.463 1465 1375 A 15 PRO HA A 43 THR HA 1.0 1.905 4.355 1466 1376 A 15 PRO HA A 15 PRO HDy 1.0 1.870 4.094 1467 1377 A 15 PRO HA A 15 PRO HBy 1.0 1.577 2.745 1468 1378 A 15 PRO HA A 16 LYS HGy 1.0 0.000 6.000 1469 1379 A 18 ALA HB% A 15 PRO HA 1.0 1.914 4.424 1470 1380 A 15 PRO HA A 15 PRO HBx 1.0 1.661 3.043 1471 1381 A 62 THR H A 62 THR HA 1.0 1.781 3.573 1472 1382 A 80 THR HG2% A 80 THR HA 1.0 1.685 3.141 1473 1383 A 81 CYS H A 80 THR HA 1.0 1.531 2.593 1474 1384 A 78 ILE HB A 78 ILE HA 1.0 1.789 3.613 1475 1385 A 78 ILE HG1y A 78 ILE HA 1.0 1.756 3.448 1476 1386 A 11 THR HA A 14 ILE HG1y 1.0 1.691 3.165 1477 1387 A 11 THR HA A 11 THR HG2% 1.0 1.532 2.598 1478 1388 A 78 ILE HA A 78 ILE HG2% 1.0 1.560 2.688 1479 1389 A 11 THR HA A 14 ILE HD1% 1.0 1.714 3.258 1480 1390 A 54 ILE HG1y A 54 ILE HA 1.0 1.712 3.250 1481 1391 A 54 ILE HG1x A 54 ILE HA 1.0 1.649 3.001 1482 1392 A 54 ILE HG2% A 54 ILE HA 1.0 1.539 2.621 1483 1393 A 54 ILE H A 54 ILE HA 1.0 1.753 3.433 1484 1394 A 99 SER H A 99 SER HA 1.0 1.678 3.110 1485 1395 A 55 ASN H A 54 ILE HA 1.0 1.516 2.548 1486 1396 A 74 SER HBy A 74 SER HA 1.0 1.586 2.772 1487 1397 A 76 LYS HEy A 74 SER HA 1.0 0.000 6.000 1488 1398 A 74 SER HA A 73 ASN HBy 1.0 1.891 4.243 1489 1399 A 34 LEU HBx A 74 SER HA 1.0 1.931 4.577 1490 1400 A 75 LYS H A 74 SER HA 1.0 1.854 3.982 1491 1401 A 74 SER H A 74 SER HA 1.0 1.762 3.480 1492 1402 A 43 THR HB A 43 THR HA 1.0 1.578 2.748 1493 1403 A 43 THR HG2% A 43 THR HA 1.0 1.570 2.720 1494 1404 A 43 THR H A 43 THR HA 1.0 1.757 3.453 1495 1405 A 44 CYS H A 43 THR HA 1.0 1.562 2.692 1496 1406 A 51 THR HA A 51 THR HB 1.0 1.577 2.743 1497 1407 A 51 THR HA A 77 ILE HG2% 1.0 0.000 6.000 1498 1408 A 14 ILE H A 12 ARG HA 1.0 1.836 3.876 1499 1409 A 12 ARG H A 12 ARG HA 1.0 1.641 2.969 1500 1410 A 13 ASP H A 12 ARG HA 1.0 0.000 6.000 1501 1411 A 12 ARG HA A 12 ARG HBx 1.0 1.572 2.728 1502 1412 A 12 ARG HGy A 12 ARG HA 1.0 1.607 2.847 1503 1413 A 76 LYS HA A 70 SER HBx 1.0 1.830 3.836 1504 1414 A 76 LYS HA A 76 LYS HBy 1.0 1.665 3.063 1505 1415 A 76 LYS HGx A 76 LYS HA 1.0 0.000 6.000 1506 1416 A 68 ALA HB% A 76 LYS HA 1.0 1.657 3.031 1507 1417 A 76 LYS H A 76 LYS HA 1.0 1.813 3.739 1508 1418 A 38 LYS HA A 38 LYS H 1.0 1.661 3.045 1509 1419 A 39 GLY H A 38 LYS HA 1.0 1.506 2.516 1510 1420 A 70 SER HBy A 70 SER HA 1.0 1.618 2.884 1511 1421 A 70 SER HBx A 70 SER HA 1.0 1.690 3.160 1512 1422 A 70 SER H A 70 SER HA 1.0 1.688 3.154 1513 1423 A 71 THR H A 70 SER HA 1.0 1.521 2.565 1514 1424 A 21 PHE HBy A 21 PHE HA 1.0 1.737 3.363 1515 1425 A 21 PHE HBx A 21 PHE HA 1.0 1.681 3.127 1516 1426 A 85 THR HA A 85 THR HB 1.0 1.657 3.029 1517 1427 A 85 THR HA A 4 PRO HDy 1.0 1.645 2.985 1518 1428 A 91 GLU HA A 91 GLU HBy 1.0 1.684 3.138 1519 1429 A 91 GLU HA A 91 GLU HBx 1.0 1.538 2.616 1520 1430 A 85 THR HA A 4 PRO HGy 1.0 1.853 3.983 1521 1431 A 91 GLU HA A 88 ALA HB% 1.0 0.000 6.000 1522 1432 A 91 GLU HA A 34 LEU HDx% 1.0 1.921 4.491 1523 1433 A 46 GLU HA A 36 TYR HA 1.0 1.678 3.112 1524 1434 A 36 TYR HBy A 36 TYR HA 1.0 1.765 3.495 1525 1435 A 37 LYS HGy A 36 TYR HA 1.0 1.863 4.039 1526 1435 A 37 LYS HGx A 36 TYR HA 1.0 1.863 4.039 1527 1436 A 47 ASN H A 36 TYR HA 1.0 1.653 3.013 1528 1437 A 41 GLY H A 40 GLU HA 1.0 0.000 6.000 1529 1438 A 34 LEU HA A 34 LEU H 1.0 0.000 6.000 1530 1439 A 84 PRO HA A 83 GLU HA 1.0 0.000 6.000 1531 1440 A 83 GLU HBx A 83 GLU HA 1.0 1.670 3.080 1532 1441 A 85 THR H A 83 GLU HA 1.0 0.000 6.000 1533 1442 A 83 GLU H A 83 GLU HA 1.0 1.738 3.366 1534 1443 A 65 CYS HA A 79 CYS HBx 1.0 0.000 6.000 1535 1444 A 15 PRO HDy A 14 ILE HA 1.0 1.537 2.615 1536 1445 A 15 PRO HDx A 14 ILE HA 1.0 1.607 2.849 1537 1446 A 14 ILE HA A 14 ILE HG1y 1.0 1.838 3.886 1538 1447 A 14 ILE HG1x A 14 ILE HA 1.0 1.840 3.898 1539 1448 A 15 PRO HGx A 14 ILE HA 1.0 0.000 6.000 1540 1449 A 14 ILE H A 14 ILE HA 1.0 1.773 3.531 1541 1450 A 65 CYS HA A 65 CYS H 1.0 1.736 3.360 1542 1451 A 53 ASP HA A 53 ASP HBy 1.0 0.000 6.000 1543 1452 A 53 ASP HA A 53 ASP HBx 1.0 1.597 2.811 1544 1453 A 20 CYS HBy A 20 CYS HA 1.0 1.708 3.236 1545 1454 A 30 TRP HBx A 20 CYS HA 1.0 0.000 6.000 1546 1455 A 20 CYS HBx A 20 CYS HA 1.0 1.710 3.244 1547 1456 A 67 ASN HA A 66 GLN HA 1.0 0.000 6.000 1548 1457 A 20 CYS H A 20 CYS HA 1.0 1.800 3.668 1549 1458 A 67 ASN H A 66 GLN HA 1.0 1.492 2.474 1550 1459 A 21 PHE H A 20 CYS HA 1.0 1.562 2.692 1551 1460 A 76 LYS H A 75 LYS HA 1.0 1.814 3.742 1552 1461 A 72 GLU HBy A 72 GLU HA 1.0 1.622 2.898 1553 1462 A 72 GLU HBx A 72 GLU HA 1.0 1.672 3.090 1554 1463 A 72 GLU H A 72 GLU HA 1.0 1.667 3.065 1555 1464 A 17 ASN HA A 16 LYS HBx 1.0 0.000 6.000 1556 1465 A 17 ASN HA A 18 ALA HB% 1.0 1.943 4.705 1557 1466 A 17 ASN HA A 17 ASN HBx 1.0 1.650 3.004 1558 1467 A 44 CYS HA A 45 VAL HGy% 1.0 1.766 3.502 1559 1468 A 17 ASN HA A 17 ASN H 1.0 1.573 2.731 1560 1469 A 39 GLY H A 44 CYS HA 1.0 1.759 3.463 1561 1470 A 44 CYS H A 44 CYS HA 1.0 1.790 3.618 1562 1471 A 55 ASN HA A 55 ASN HBx 1.0 1.600 2.822 1563 1472 A 55 ASN HA A 55 ASN H 1.0 1.501 2.503 1564 1473 A 82 LYS HA A 82 LYS HBy 1.0 1.639 2.965 1565 1474 A 82 LYS HA A 82 LYS HBx 1.0 1.631 2.931 1566 1475 A 33 LEU HDx% A 18 ALA HA 1.0 1.736 3.360 1567 1476 A 19 GLY H A 18 ALA HA 1.0 1.627 2.921 1568 1477 A 68 ALA HB% A 68 ALA HA 1.0 1.464 2.394 1569 1478 A 69 GLU H A 68 ALA HA 1.0 1.454 2.366 1570 1479 A 68 ALA H A 68 ALA HA 1.0 1.702 3.212 1571 1480 A 86 PRO HBy A 86 PRO HDy 1.0 1.820 3.780 1572 1481 A 3 ASP HBy A 86 PRO HDx 1.0 1.887 4.211 1573 1482 A 86 PRO HDy A 3 ASP HBy 1.0 1.909 4.377 1574 1483 A 3 ASP HBx A 86 PRO HDx 1.0 0.000 6.000 1575 1484 A 86 PRO HDy A 3 ASP HBx 1.0 0.000 6.000 1576 1485 A 86 PRO HDy A 86 PRO HDx 1.0 1.367 2.131 1577 1486 A 86 PRO HDy A 86 PRO HA 1.0 1.835 3.863 1578 1487 A 86 PRO HDx A 86 PRO HA 1.0 1.847 3.943 1579 1488 A 3 ASP HA A 86 PRO HDx 1.0 1.564 2.700 1580 1489 A 86 PRO HDy A 5 LYS H 1.0 1.872 4.102 1581 1490 A 5 LYS H A 86 PRO HDx 1.0 1.827 3.817 1582 1491 A 86 PRO HDy A 3 ASP H 1.0 0.000 6.000 1583 1492 A 63 ALA HA A 64 SER HBx 1.0 0.000 6.000 1584 1493 A 64 SER H A 63 ALA HA 1.0 1.566 2.706 1585 1494 A 65 CYS HA A 79 CYS HA 1.0 1.715 3.261 1586 1495 A 79 CYS HA A 80 THR HA 1.0 0.000 6.000 1587 1496 A 79 CYS HA A 79 CYS HBy 1.0 1.765 3.493 1588 1497 A 79 CYS HBx A 79 CYS HA 1.0 1.675 3.099 1589 1498 A 77 ILE HG2% A 79 CYS HA 1.0 1.916 4.440 1590 1499 A 79 CYS HA A 78 ILE HG2% 1.0 1.882 4.176 1591 1500 A 80 THR H A 79 CYS HA 1.0 1.518 2.552 1592 1501 A 79 CYS HA A 79 CYS H 1.0 1.768 3.504 1593 1502 A 88 ALA HA A 89 TYR H 1.0 1.536 2.610 1594 1503 A 41 GLY HAx A 42 ASN HA 1.0 0.000 6.000 1595 1504 A 38 LYS HEy A 42 ASN HA 1.0 1.843 3.915 1596 1504 A 38 LYS HEx A 42 ASN HA 1.0 1.843 3.915 1597 1505 A 42 ASN HBy A 42 ASN HA 1.0 1.561 2.691 1598 1505 A 42 ASN HBx A 42 ASN HA 1.0 1.561 2.691 1599 1506 A 15 PRO HGy A 42 ASN HA 1.0 0.000 6.000 1600 1507 A 43 THR H A 42 ASN HA 1.0 1.583 2.765 1601 1508 A 42 ASN H A 42 ASN HA 1.0 1.634 2.944 1602 1509 A 59 CYS HA A 93 VAL HA 1.0 1.622 2.900 1603 1510 A 59 CYS HBy A 59 CYS HA 1.0 1.746 3.406 1604 1511 A 59 CYS HA A 59 CYS HBx 1.0 1.683 3.131 1605 1512 A 59 CYS HA A 60 ASP HBy 1.0 0.000 6.000 1606 1513 A 59 CYS HA A 93 VAL HGy% 1.0 1.780 3.568 1607 1514 A 34 LEU HDy% A 59 CYS HA 1.0 1.754 3.440 1608 1515 A 59 CYS HA A 93 VAL HGx% 1.0 1.861 4.031 1609 1516 A 59 CYS HA A 60 ASP H 1.0 1.583 2.763 1610 1517 A 67 ASN HA A 67 ASN HBy 1.0 1.583 2.765 1611 1518 A 67 ASN HA A 77 ILE HG2% 1.0 1.852 3.972 1612 1519 A 77 ILE HD1% A 67 ASN HA 1.0 1.644 2.982 1613 1520 A 68 ALA H A 67 ASN HA 1.0 1.481 2.443 1614 1521 A 61 PRO HDy A 60 ASP HA 1.0 1.534 2.604 1615 1522 A 61 PRO HDx A 60 ASP HA 1.0 1.597 2.813 1616 1523 A 60 ASP HBy A 60 ASP HA 1.0 1.765 3.497 1617 1524 A 60 ASP HBx A 60 ASP HA 1.0 1.725 3.309 1618 1525 A 61 PRO HGx A 60 ASP HA 1.0 0.000 6.000 1619 1526 A 48 ASN HD2x A 48 ASN HA 1.0 1.699 3.201 1620 1527 A 48 ASN HA A 49 ASN H 1.0 1.720 3.286 1621 1528 A 48 ASN HA A 48 ASN H 1.0 1.699 3.199 1622 1529 A 25 ASP HA A 25 ASP HBy 1.0 0.000 6.000 1623 1530 A 25 ASP HA A 25 ASP HBx 1.0 1.510 2.530 1624 1531 A 25 ASP HA A 25 ASP H 1.0 1.685 3.139 1625 1532 A 14 ILE HA A 11 THR HB 1.0 0.000 6.000 1626 1533 A 14 ILE HB A 11 THR HB 1.0 1.716 3.268 1627 1534 A 11 THR HG2% A 11 THR HB 1.0 1.513 2.537 1628 1535 A 30 TRP HA A 30 TRP HBy 1.0 1.658 3.036 1629 1536 A 20 CYS HBx A 30 TRP HA 1.0 0.000 6.000 1630 1537 A 30 TRP HA A 29 GLU HBy 1.0 1.940 4.674 1631 1538 A 30 TRP HA A 31 ARG HBx 1.0 1.944 4.716 1632 1539 A 30 TRP HA A 94 PHE HEy 1.0 1.817 3.761 1633 1539 A 30 TRP HA A 94 PHE HEx 1.0 1.817 3.761 1634 1540 A 19 GLY H A 30 TRP HA 1.0 1.949 4.779 1635 1541 A 21 PHE H A 30 TRP HA 1.0 1.856 3.998 1636 1542 A 33 LEU HBy A 33 LEU HG 1.0 1.720 3.284 1637 1543 A 19 GLY HAy A 33 LEU HG 1.0 0.000 6.000 1638 1544 A 43 THR HB A 45 VAL HGx% 1.0 1.779 3.565 1639 1545 A 44 CYS H A 43 THR HB 1.0 1.662 3.048 1640 1546 A 49 ASN HD2x A 51 THR HB 1.0 0.000 6.000 1641 1547 A 27 THR HB A 28 LYS H 1.0 0.000 6.000 1642 1548 A 51 THR H A 51 THR HB 1.0 1.856 4.000 1643 1549 A 61 PRO HA A 61 PRO HDy 1.0 1.815 3.751 1644 1550 A 61 PRO HA A 61 PRO HDx 1.0 1.863 4.043 1645 1551 A 61 PRO HA A 56 ASN HBy 1.0 0.000 6.000 1646 1552 A 61 PRO HA A 61 PRO HBy 1.0 1.547 2.645 1647 1553 A 61 PRO HA A 56 ASN HBx 1.0 1.810 3.728 1648 1554 A 61 PRO HA A 61 PRO HGx 1.0 0.000 6.000 1649 1555 A 61 PRO HA A 61 PRO HBx 1.0 1.653 3.015 1650 1556 A 61 PRO HA A 56 ASN HD2y 1.0 0.000 6.000 1651 1557 A 61 PRO HA A 56 ASN HD2x 1.0 1.786 3.598 1652 1558 A 61 PRO HDx A 61 PRO HDy 1.0 1.464 2.394 1653 1559 A 61 PRO HDy A 61 PRO HBy 1.0 1.812 3.738 1654 1560 A 56 ASN HBx A 61 PRO HDy 1.0 1.934 4.610 1655 1561 A 61 PRO HDy A 61 PRO HBx 1.0 1.821 3.787 1656 1562 A 61 PRO HDx A 62 THR HG2% 1.0 1.910 4.392 1657 1563 A 62 THR H A 61 PRO HDy 1.0 1.948 4.758 1658 1564 A 62 THR HG2% A 62 THR HB 1.0 1.551 2.661 1659 1565 A 71 THR HG2% A 71 THR HB 1.0 1.490 2.470 1660 1566 A 71 THR H A 71 THR HB 1.0 1.813 3.741 1661 1567 A 80 THR HB A 80 THR HA 1.0 1.825 3.805 1662 1568 A 85 THR H A 84 PRO HA 1.0 1.800 3.668 1663 1569 A 84 PRO HDy A 84 PRO HA 1.0 0.000 6.000 1664 1570 A 84 PRO HDx A 84 PRO HA 1.0 1.876 4.132 1665 1571 A 84 PRO HBx A 84 PRO HA 1.0 1.648 2.996 1666 1572 A 83 GLU HBx A 84 PRO HA 1.0 0.000 6.000 1667 1573 A 90 TYR HBy A 93 VAL HA 1.0 1.939 4.657 1668 1574 A 60 ASP HBy A 93 VAL HA 1.0 1.927 4.539 1669 1575 A 93 VAL HB A 93 VAL HA 1.0 1.784 3.590 1670 1576 A 34 LEU HDy% A 93 VAL HA 1.0 1.871 4.093 1671 1577 A 93 VAL HA A 93 VAL HGx% 1.0 1.652 3.012 1672 1578 A 88 ALA HA A 95 CYS HA 1.0 1.714 3.260 1673 1579 A 87 ASN H A 95 CYS HA 1.0 1.929 4.567 1674 1580 A 95 CYS H A 95 CYS HA 1.0 1.802 3.682 1675 1581 A 89 TYR H A 95 CYS HA 1.0 1.850 3.960 1676 1582 A 96 SER H A 95 CYS HA 1.0 1.566 2.706 1677 1583 A 95 CYS HBy A 95 CYS HA 1.0 1.722 3.296 1678 1584 A 87 ASN HBy A 95 CYS HA 1.0 1.956 4.862 1679 1585 A 87 ASN HBx A 95 CYS HA 1.0 1.956 4.862 1680 1586 A 95 CYS HBx A 95 CYS HA 1.0 1.762 3.480 1681 1587 A 88 ALA HB% A 95 CYS HA 1.0 1.874 4.118 1682 1588 A 87 ASN HBy A 96 SER HBy 1.0 1.847 3.945 1683 1589 A 87 ASN HBy A 96 SER HBx 1.0 1.826 3.810 1684 1590 A 87 ASN HBx A 96 SER HBy 1.0 1.938 4.654 1685 1591 A 96 SER HA A 96 SER HBy 1.0 1.707 3.231 1686 1592 A 96 SER HA A 96 SER HBx 1.0 1.737 3.365 1687 1593 A 87 ASN HD2x A 96 SER HBy 1.0 1.839 3.891 1688 1594 A 87 ASN HD2x A 96 SER HBx 1.0 1.820 3.780 1689 1595 A 97 SER H A 96 SER HBy 1.0 1.814 3.746 1690 1596 A 97 SER H A 96 SER HBx 1.0 1.856 3.996 1691 1597 A 98 SER H A 96 SER HBx 1.0 1.949 4.779 1692 1598 A 96 SER H A 96 SER HBy 1.0 1.809 3.721 1693 1599 A 96 SER H A 96 SER HBx 1.0 1.801 3.675 1694 1600 A 99 SER H A 99 SER HBx 1.0 1.752 3.434 1695 1601 A 21 PHE HBx A 29 GLU HBy 1.0 1.930 4.574 1696 1602 A 21 PHE HBy A 94 PHE HEy 1.0 1.907 4.371 1697 1602 A 21 PHE HBy A 94 PHE HEx 1.0 1.907 4.371 1698 1603 A 21 PHE HBy A 29 GLU HBx 1.0 1.899 4.305 1699 1604 A 97 SER HBx A 97 SER HA 1.0 1.683 3.133 1700 1605 A 15 PRO HDx A 15 PRO HDy 1.0 1.516 2.550 1701 1606 A 16 LYS HGy A 16 LYS HA 1.0 0.000 6.000 1702 1607 A 16 LYS HBy A 16 LYS HA 1.0 1.558 2.680 1703 1608 A 17 ASN H A 16 LYS HA 1.0 1.471 2.417 1704 1609 A 17 ASN HA A 16 LYS HA 1.0 0.000 6.000 1705 1610 A 18 ALA H A 16 LYS HA 1.0 1.761 3.475 1706 1611 A 16 LYS H A 16 LYS HA 1.0 1.660 3.040 1707 1612 A 22 ARG H A 8 CYS HA 1.0 1.903 4.331 1708 1613 A 8 CYS HA A 9 VAL H 1.0 1.505 2.513 1709 1614 A 33 LEU H A 33 LEU HA 1.0 1.750 3.420 1710 1615 A 29 GLU H A 28 LYS HGy 1.0 0.000 6.000 1711 1616 A 97 SER HBy A 97 SER HBx 1.0 1.335 2.053 1712 1617 A 73 ASN H A 72 GLU HA 1.0 1.527 2.581 1713 1618 A 78 ILE HA A 79 CYS H 1.0 1.510 2.532 1714 1619 A 27 THR H A 27 THR HG2% 1.0 0.000 6.000 1715 1620 A 28 LYS H A 27 THR HG2% 1.0 1.611 2.863 1716 1621 A 27 THR HA A 27 THR HG2% 1.0 1.532 2.596 1717 1622 A 27 THR HB A 27 THR HG2% 1.0 1.390 2.192 1718 1623 A 46 GLU H A 46 GLU HA 1.0 1.699 3.199 1719 1624 A 46 GLU HA A 45 VAL HB 1.0 0.000 6.000 1720 1625 A 46 GLU HA A 46 GLU HBy 1.0 1.669 3.077 1721 1626 A 46 GLU HBx A 46 GLU HA 1.0 1.648 2.998 1722 1627 A 45 VAL H A 46 GLU HA 1.0 1.974 5.110 1723 1628 A 36 TYR H A 46 GLU HA 1.0 1.966 4.990 1724 1629 A 73 ASN H A 73 ASN HBx 1.0 1.756 3.450 1725 1630 A 73 ASN H A 73 ASN HBy 1.0 1.773 3.531 1726 1631 A 36 TYR H A 73 ASN HBx 1.0 0.000 6.000 1727 1632 A 75 LYS H A 74 SER HBy 1.0 1.917 4.459 1728 1633 A 90 TYR HA A 90 TYR H 1.0 1.566 2.708 1729 1634 A 91 GLU H A 90 TYR HA 1.0 1.679 3.119 1730 1635 A 90 TYR HA A 90 TYR HBy 1.0 1.658 3.032 1731 1636 A 90 TYR HA A 90 TYR HBx 1.0 1.724 3.304 1732 1637 A 90 TYR HBy A 93 VAL HB 1.0 1.754 3.440 1733 1638 A 93 VAL HB A 90 TYR HBx 1.0 1.706 3.228 1734 1639 A 93 VAL HB A 90 TYR HEx 1.0 0.000 6.000 1735 1640 A 93 VAL HB A 94 PHE HEy 1.0 1.928 4.552 1736 1640 A 93 VAL HB A 94 PHE HEx 1.0 1.928 4.552 1737 1641 A 93 VAL HB A 33 LEU HDx% 1.0 1.850 3.962 1738 1642 A 3 ASP HBy A 5 LYS H 1.0 1.895 4.273 1739 1643 A 38 LYS H A 38 LYS HGx 1.0 1.651 3.009 1740 1644 A 11 THR HG2% A 28 LYS HDx 1.0 1.894 4.266 1741 1645 A 14 ILE HD1% A 28 LYS HDx 1.0 1.866 4.060 1742 1646 A 22 ARG HDx A 28 LYS HDx 1.0 0.000 6.000 1743 1647 A 28 LYS HGx A 28 LYS HDx 1.0 1.681 3.125 1744 1648 A 28 LYS HBx A 28 LYS HA 1.0 1.728 3.322 1745 1649 A 28 LYS HBy A 28 LYS HA 1.0 1.715 3.265 1746 1650 A 6 HIS HA A 6 HIS HBy 1.0 1.892 4.248 1747 1651 A 6 HIS HA A 6 HIS HBx 1.0 1.899 4.301 1748 1652 A 30 TRP HD1 A 29 GLU HGx 1.0 0.000 6.000 1749 1653 A 30 TRP H A 29 GLU HGx 1.0 0.000 6.000 1750 1654 A 29 GLU H A 29 GLU HGx 1.0 1.830 3.836 1751 1655 A 29 GLU HGx A 27 THR HG2% 1.0 1.831 3.847 1752 1656 A 29 GLU HGy A 27 THR HG2% 1.0 1.833 3.855 1753 1657 A 28 LYS HGy A 28 LYS HA 1.0 1.766 3.500 1754 1658 A 28 LYS HGx A 28 LYS HA 1.0 1.749 3.417 1755 1659 A 11 THR HA A 12 ARG H 1.0 1.720 3.288 1756 1660 A 11 THR HA A 11 THR H 1.0 1.730 3.330 1757 1661 A 11 THR HA A 14 ILE HB 1.0 1.799 3.665 1758 1662 A 27 THR HB A 27 THR HA 1.0 1.629 2.925 1759 1663 A 28 LYS H A 27 THR HA 1.0 1.455 2.369 1760 1664 A 27 THR H A 27 THR HA 1.0 1.711 3.247 1761 1665 A 23 ASP H A 27 THR HA 1.0 1.923 4.505 1762 1666 A 28 LYS HGy A 27 THR HA 1.0 1.856 3.994 1763 1667 A 28 LYS HGx A 27 THR HA 1.0 1.955 4.849 1764 1668 A 93 VAL HA A 94 PHE HEy 1.0 0.000 6.000 1765 1668 A 93 VAL HA A 94 PHE HEx 1.0 0.000 6.000 1766 1669 A 94 PHE HEy A 89 TYR HA 1.0 0.000 6.000 1767 1669 A 94 PHE HEx A 89 TYR HA 1.0 0.000 6.000 1768 1670 A 6 HIS HD2 A 97 SER HA 1.0 0.000 6.000 1769 1671 A 6 HIS HBy A 6 HIS HD2 1.0 1.951 4.791 1770 1672 A 21 PHE HDx A 21 PHE HZ 1.0 0.000 6.000 1771 1673 A 21 PHE HEx A 21 PHE HZ 1.0 1.586 2.774 1772 1674 A 21 PHE HDx A 21 PHE HBy 1.0 1.799 3.665 1773 1675 A 21 PHE HDx A 21 PHE HBx 1.0 0.000 6.000 1774 1676 A 21 PHE HDx A 21 PHE HA 1.0 1.894 4.260 1775 1677 A 21 PHE HDx A 94 PHE HDy 1.0 1.945 4.733 1776 1677 A 21 PHE HDx A 94 PHE HDx 1.0 1.945 4.733 1777 1678 A 21 PHE HDy A 21 PHE HEx 1.0 1.767 3.501 1778 1678 A 21 PHE HDx A 21 PHE HEx 1.0 1.767 3.501 1779 1679 A 30 TRP HH2 A 38 LYS HDy 1.0 1.876 4.134 1780 1680 A 30 TRP HH2 A 30 TRP HZ2 1.0 1.617 2.883 1781 1681 A 30 TRP HZ2 A 42 ASN HBy 1.0 1.807 3.711 1782 1681 A 30 TRP HZ2 A 42 ASN HBx 1.0 1.807 3.711 1783 1682 A 36 TYR HDx A 47 ASN H 1.0 0.000 6.000 1784 1683 A 36 TYR HDx A 45 VAL HA 1.0 1.869 4.081 1785 1684 A 36 TYR HDx A 46 GLU HA 1.0 1.829 3.829 1786 1685 A 36 TYR HDx A 36 TYR HBy 1.0 1.804 3.688 1787 1686 A 36 TYR HDx A 36 TYR HBx 1.0 1.759 3.465 1788 1687 A 36 TYR HDx A 33 LEU HBx 1.0 1.880 4.164 1789 1688 A 36 TYR HDx A 17 ASN HBx 1.0 1.917 4.453 1790 1689 A 36 TYR HDx A 46 GLU H 1.0 1.874 4.118 1791 1690 A 46 GLU H A 36 TYR HEx 1.0 1.892 4.254 1792 1691 A 17 ASN HD2y A 36 TYR HEx 1.0 0.000 6.000 1793 1692 A 36 TYR HEx A 46 GLU HA 1.0 1.896 4.280 1794 1693 A 36 TYR HEx A 46 GLU HGx 1.0 1.777 3.555 1795 1694 A 36 TYR HEx A 17 ASN HBx 1.0 1.902 4.330 1796 1695 A 36 TYR HEx A 33 LEU HDy% 1.0 1.933 4.605 1797 1696 A 36 TYR HEx A 36 TYR HBy 1.0 0.000 6.000 1798 1697 A 7 VAL HB A 89 TYR HEx 1.0 0.000 6.000 1799 1698 A 87 ASN HBy A 89 TYR HEx 1.0 0.000 6.000 1800 1699 A 96 SER HBx A 89 TYR HEx 1.0 0.000 6.000 1801 1700 A 21 PHE HDy A 89 TYR HEx 1.0 1.933 4.601 1802 1700 A 21 PHE HDx A 89 TYR HEx 1.0 1.933 4.601 1803 1701 A 21 PHE HEy A 89 TYR HEx 1.0 0.000 6.000 1804 1701 A 21 PHE HEx A 89 TYR HEx 1.0 0.000 6.000 1805 1702 A 94 PHE HDy A 89 TYR HEx 1.0 0.000 6.000 1806 1702 A 94 PHE HDx A 89 TYR HEx 1.0 0.000 6.000 1807 1703 A 96 SER H A 89 TYR HEx 1.0 0.000 6.000 1808 1704 A 89 TYR H A 89 TYR HEx 1.0 0.000 6.000 1809 1705 A 94 PHE HDy A 90 TYR HDx 1.0 1.709 3.237 1810 1705 A 94 PHE HDx A 90 TYR HDx 1.0 1.709 3.237 1811 1706 A 89 TYR HBx A 90 TYR HDx 1.0 1.849 3.953 1812 1707 A 90 TYR HBy A 90 TYR HDx 1.0 1.768 3.510 1813 1708 A 33 LEU HDx% A 90 TYR HDx 1.0 0.000 6.000 1814 1709 A 90 TYR H A 90 TYR HDx 1.0 1.911 4.399 1815 1710 A 19 GLY HAy A 90 TYR HEx 1.0 1.896 4.278 1816 1711 A 20 CYS H A 90 TYR HEx 1.0 1.830 3.838 1817 1712 A 94 PHE HZ A 93 VAL HGx% 1.0 1.957 4.869 1818 1713 A 94 PHE HBy A 94 PHE HDx 1.0 1.824 3.806 1819 1714 A 94 PHE HBx A 94 PHE HDx 1.0 1.768 3.508 1820 1715 A 93 VAL HB A 94 PHE HDx 1.0 1.937 4.653 1821 1716 A 94 PHE HA A 94 PHE HDx 1.0 1.937 4.649 1822 1717 A 94 PHE HBy A 94 PHE HEx 1.0 0.000 6.000 1823 1718 A 34 LEU HDy% A 94 PHE HEx 1.0 0.000 6.000 1824 1719 A 89 TYR H A 94 PHE HEx 1.0 0.000 6.000 1825 1720 A 94 PHE HEx A 90 TYR H 1.0 0.000 6.000 1826 1721 A 36 TYR H A 36 TYR HEy 1.0 0.000 6.000 1827 1721 A 36 TYR H A 36 TYR HEx 1.0 0.000 6.000 1828 1722 A 33 LEU H A 36 TYR HEx 1.0 0.000 6.000 1829 1723 A 33 LEU H A 36 TYR HDx 1.0 1.857 4.005 1830 1724 A 90 TYR HBx A 90 TYR HDx 1.0 0.000 6.000 1831 1725 A 90 TYR HBy A 90 TYR HEx 1.0 0.000 6.000 1832 1726 A 30 TRP HA A 20 CYS HA 1.0 0.000 6.000 1833 1727 A 30 TRP HA A 30 TRP HBx 1.0 1.650 3.004 1834 1728 A 30 TRP HZ2 A 30 TRP HZ3 1.0 0.000 6.000 1835 1729 A 94 PHE H A 94 PHE HA 1.0 1.733 3.343 1836 1730 A 94 PHE H A 94 PHE HDx 1.0 1.705 3.223 1837 1731 A 45 VAL H A 37 LYS H 1.0 1.680 3.122 1838 1732 A 57 GLY H A 77 ILE HG2% 1.0 1.895 4.275 1839 1733 A 93 VAL HGx% A 93 VAL H 1.0 0.000 6.000 1840 1734 A 63 ALA HB% A 63 ALA H 1.0 1.512 2.536 1841 1735 A 33 LEU H A 33 LEU HDx% 1.0 1.647 2.995 1842 1736 A 33 LEU H A 33 LEU HG 1.0 0.000 6.000 1843 1737 A 31 ARG H A 31 ARG HA 1.0 1.773 3.533 1844 1738 A 60 ASP H A 60 ASP HA 1.0 0.000 6.000 1845 1739 A 65 CYS HA A 66 GLN H 1.0 1.466 2.398 1846 1740 A 78 ILE H A 77 ILE HA 1.0 1.476 2.428 1847 1741 A 80 THR H A 80 THR HB 1.0 1.643 2.975 1848 1742 A 36 TYR H A 37 LYS H 1.0 0.000 6.000 1849 1743 A 36 TYR HDx A 36 TYR H 1.0 0.000 6.000 1850 1744 A 90 TYR HA A 90 TYR HDx 1.0 0.000 6.000 1851 1745 A 90 TYR HA A 90 TYR HEx 1.0 0.000 6.000 1852 1746 A 90 TYR HEx A 90 TYR HDx 1.0 0.000 6.000 1853 1747 A 30 TRP HA A 30 TRP HE3 1.0 0.000 6.000 1854 1748 A 30 TRP HZ2 A 42 ASN HA 1.0 1.642 2.972 1855 1749 A 94 PHE H A 88 ALA HA 1.0 1.952 4.810 1856 1750 A 89 TYR HA A 89 TYR HDx 1.0 1.944 4.718 1857 1751 A 37 LYS H A 37 LYS HGx 1.0 1.640 2.968 1858 1752 A 45 VAL H A 37 LYS HGx 1.0 1.867 4.071 1859 1753 A 37 LYS H A 45 VAL HGx% 1.0 0.000 6.000 1860 1754 A 45 VAL H A 45 VAL HGx% 1.0 0.000 6.000 1861 1755 A 37 LYS H A 45 VAL HGy% 1.0 1.750 3.426 1862 1756 A 45 VAL H A 45 VAL HGy% 1.0 1.530 2.590 1863 1757 A 37 LYS H A 37 LYS HBy 1.0 1.877 4.141 1864 1758 A 37 LYS H A 47 ASN HBx 1.0 1.887 4.207 1865 1759 A 37 LYS H A 37 LYS HDy 1.0 0.000 6.000 1866 1760 A 34 LEU HDy% A 60 ASP H 1.0 1.939 4.667 1867 1761 A 78 ILE H A 78 ILE HD1% 1.0 1.794 3.640 1868 1762 A 31 ARG H A 93 VAL HGx% 1.0 1.883 4.179 1869 1763 A 34 LEU H A 33 LEU HDx% 1.0 0.000 6.000 1870 1764 A 31 ARG H A 14 ILE HG2% 1.0 1.926 4.532 1871 1765 A 31 ARG H A 31 ARG HBx 1.0 1.829 3.827 1872 1766 A 31 ARG H A 31 ARG HDx 1.0 0.000 6.000 1873 1767 A 34 LEU H A 33 LEU HG 1.0 1.914 4.430 1874 1768 A 34 LEU H A 34 LEU HDx% 1.0 0.000 6.000 1875 1769 A 18 ALA HB% A 31 ARG H 1.0 1.757 3.453 1876 1770 A 31 ARG H A 31 ARG HGy 1.0 1.927 4.547 1877 1771 A 93 VAL HGy% A 60 ASP H 1.0 0.000 6.000 1878 1772 A 80 THR HG2% A 80 THR H 1.0 1.800 3.668 1879 1773 A 36 TYR H A 33 LEU HBx 1.0 0.000 6.000 1880 1774 A 34 LEU H A 33 LEU HBy 1.0 1.568 2.714 1881 1775 A 31 ARG H A 31 ARG HBy 1.0 1.858 4.012 1882 1776 A 58 GLY H A 77 ILE HD1% 1.0 1.994 5.554 1883 1777 A 33 LEU H A 33 LEU HBx 1.0 1.720 3.288 1884 1778 A 33 LEU H A 18 ALA HB% 1.0 0.000 6.000 1885 1779 A 58 GLY H A 77 ILE HG2% 1.0 1.975 5.127 1886 1780 A 33 LEU H A 33 LEU HBy 1.0 1.774 3.540 1887 1781 A 60 ASP HBy A 63 ALA H 1.0 1.756 3.450 1888 1782 A 60 ASP HBy A 60 ASP H 1.0 1.677 3.109 1889 1783 A 60 ASP HBx A 60 ASP H 1.0 1.641 2.969 1890 1784 A 45 VAL H A 44 CYS HBx 1.0 1.831 3.845 1891 1785 A 37 LYS H A 45 VAL HB 1.0 1.976 5.162 1892 1786 A 45 VAL H A 45 VAL HB 1.0 1.823 3.795 1893 1787 A 36 TYR H A 36 TYR HBx 1.0 1.754 3.444 1894 1788 A 94 PHE H A 94 PHE HBy 1.0 0.000 6.000 1895 1789 A 94 PHE H A 93 VAL HB 1.0 1.745 3.401 1896 1790 A 57 GLY H A 54 ILE HB 1.0 1.965 4.987 1897 1791 A 57 GLY H A 77 ILE HG1y 1.0 1.983 5.273 1898 1792 A 59 CYS H A 63 ALA HB% 1.0 0.000 6.000 1899 1793 A 59 CYS H A 77 ILE HG2% 1.0 1.869 4.085 1900 1794 A 34 LEU HDy% A 59 CYS H 1.0 1.848 3.946 1901 1795 A 77 ILE HD1% A 59 CYS H 1.0 0.000 6.000 1902 1796 A 57 GLY H A 77 ILE HD1% 1.0 0.000 6.000 1903 1797 A 94 PHE H A 93 VAL HGx% 1.0 0.000 6.000 1904 1798 A 18 ALA HB% A 30 TRP HA 1.0 1.840 3.896 1905 1799 A 30 TRP HA A 14 ILE HD1% 1.0 1.853 3.977 1906 1800 A 30 TRP HA A 14 ILE HG2% 1.0 1.865 4.055 1907 1801 A 30 TRP HA A 93 VAL HGx% 1.0 1.985 5.311 1908 1802 A 36 TYR HEy A 17 ASN HBx 1.0 1.793 3.633 1909 1802 A 36 TYR HEx A 17 ASN HBx 1.0 1.793 3.633 1910 1803 A 36 TYR HDy A 17 ASN HBx 1.0 1.757 3.453 1911 1803 A 36 TYR HDx A 17 ASN HBx 1.0 1.757 3.453 1912 1804 A 36 TYR HEx A 34 LEU HDx% 1.0 0.000 6.000 1913 1804 A 34 LEU HDx% A 36 TYR HEy 1.0 0.000 6.000 1914 1805 A 21 PHE HDy A 21 PHE HBx 1.0 1.651 3.007 1915 1805 A 21 PHE HDx A 21 PHE HBx 1.0 1.651 3.007 1916 1806 A 36 TYR HEx A 45 VAL HGx% 1.0 0.000 6.000 1917 1806 A 45 VAL HGx% A 36 TYR HEy 1.0 0.000 6.000 1918 1807 A 36 TYR HDx A 45 VAL HGx% 1.0 0.000 6.000 1919 1807 A 36 TYR HDy A 45 VAL HGx% 1.0 0.000 6.000 1920 1808 A 36 TYR HDx A 45 VAL HGy% 1.0 0.000 6.000 1921 1809 A 36 TYR HEx A 45 VAL HGy% 1.0 0.000 6.000 1922 1810 A 33 LEU HDy% A 36 TYR HEy 1.0 1.765 3.497 1923 1810 A 36 TYR HEx A 33 LEU HDy% 1.0 1.765 3.497 1924 1811 A 18 ALA HB% A 30 TRP HE3 1.0 1.543 2.635 1925 1812 A 31 ARG HDx A 94 PHE HDy 1.0 1.737 3.363 1926 1812 A 31 ARG HDx A 94 PHE HDx 1.0 1.737 3.363 1927 1813 A 21 PHE HBx A 94 PHE HDy 1.0 1.645 2.983 1928 1813 A 21 PHE HBx A 94 PHE HDx 1.0 1.645 2.983 1929 1814 A 15 PRO HBx A 30 TRP HE3 1.0 1.923 4.513 1930 1815 A 94 PHE HZ A 31 ARG HBx 1.0 1.768 3.504 1931 1816 A 31 ARG HBx A 30 TRP HE3 1.0 0.000 6.000 1932 1817 A 15 PRO HGy A 30 TRP HE3 1.0 1.868 4.072 1933 1818 A 30 TRP HD1 A 14 ILE HD1% 1.0 1.554 2.670 1934 1819 A 93 VAL HGy% A 93 VAL H 1.0 1.485 2.455 1935 1820 A 7 VAL HGx% A 6 HIS HD2 1.0 0.000 6.000 1936 1821 A 5 LYS HGx A 6 HIS HD2 1.0 1.956 4.868 1937 1822 A 93 VAL HB A 93 VAL H 1.0 1.601 2.825 1938 1823 A 5 LYS HBy A 6 HIS HD2 1.0 0.000 6.000 1939 1824 A 6 HIS HD2 A 5 LYS HDy 1.0 1.944 4.714 1940 1824 A 6 HIS HD2 A 5 LYS HDx 1.0 1.944 4.714 1941 1825 A 33 LEU HBy A 36 TYR HEy 1.0 1.815 3.751 1942 1825 A 36 TYR HEx A 33 LEU HBy 1.0 1.815 3.751 1943 1826 A 36 TYR HDy A 33 LEU HBx 1.0 1.681 3.125 1944 1826 A 36 TYR HDx A 33 LEU HBx 1.0 1.681 3.125 1945 1827 A 33 LEU HBx A 36 TYR HEy 1.0 1.786 3.596 1946 1827 A 33 LEU HBx A 36 TYR HEx 1.0 1.786 3.596 1947 1828 A 21 PHE HBy A 94 PHE HDy 1.0 1.728 3.324 1948 1828 A 21 PHE HBy A 94 PHE HDx 1.0 1.728 3.324 1949 1829 A 15 PRO HDx A 30 TRP HE3 1.0 1.858 4.012 1950 1830 A 31 ARG HGy A 30 TRP HE3 1.0 0.000 6.000 1951 1831 A 18 ALA H A 16 LYS HBx 1.0 1.961 4.911 1952 1832 A 94 PHE HBx A 94 PHE HDy 1.0 1.566 2.706 1953 1832 A 94 PHE HBx A 94 PHE HDx 1.0 1.566 2.706 1954 1833 A 93 VAL HB A 94 PHE HDy 1.0 1.614 2.872 1955 1833 A 93 VAL HB A 94 PHE HDx 1.0 1.614 2.872 1956 1834 A 86 PRO HBy A 6 HIS HD2 1.0 0.000 6.000 1957 1835 A 3 ASP HBx A 6 HIS HD2 1.0 0.000 6.000 1958 1836 A 21 PHE HDy A 29 GLU HBx 1.0 1.864 4.046 1959 1836 A 21 PHE HDx A 29 GLU HBx 1.0 1.864 4.046 1960 1837 A 21 PHE HDy A 94 PHE HBy 1.0 1.876 4.130 1961 1837 A 21 PHE HDx A 94 PHE HBy 1.0 1.876 4.130 1962 1838 A 21 PHE HDy A 6 HIS HBy 1.0 1.911 4.399 1963 1838 A 21 PHE HDx A 6 HIS HBy 1.0 1.911 4.399 1964 1839 A 36 TYR HDy A 36 TYR HBx 1.0 1.611 2.861 1965 1839 A 36 TYR HDx A 36 TYR HBx 1.0 1.611 2.861 1966 1840 A 17 ASN HBy A 36 TYR HEy 1.0 1.870 4.092 1967 1840 A 17 ASN HBy A 36 TYR HEx 1.0 1.870 4.092 1968 1841 A 17 ASN HBy A 36 TYR HDy 1.0 1.835 3.865 1969 1841 A 17 ASN HBy A 36 TYR HDx 1.0 1.835 3.865 1970 1842 A 6 HIS HBy A 21 PHE HEy 1.0 1.899 4.303 1971 1842 A 6 HIS HBy A 21 PHE HEx 1.0 1.899 4.303 1972 1843 A 94 PHE HBy A 21 PHE HEx 1.0 1.949 4.771 1973 1844 A 86 PRO HBy A 21 PHE HEy 1.0 0.000 6.000 1974 1844 A 86 PRO HBy A 21 PHE HEx 1.0 0.000 6.000 1975 1845 A 94 PHE HBx A 21 PHE HEx 1.0 1.934 4.606 1976 1846 A 30 TRP HA A 31 ARG HGy 1.0 1.990 5.456 1977 1847 A 94 PHE HBy A 95 CYS HA 1.0 1.993 5.541 1978 1848 A 15 PRO HGx A 30 TRP HZ2 1.0 1.917 4.451 1979 1849 A 15 PRO HGx A 30 TRP HE3 1.0 1.939 4.667 1980 1850 A 15 PRO HGx A 42 ASN HBx 1.0 1.893 4.257 1981 1851 A 15 PRO HGx A 14 ILE HD1% 1.0 0.000 6.000 1982 1852 A 18 ALA HB% A 15 PRO HGx 1.0 0.000 6.000 1983 1853 A 15 PRO HGx A 42 ASN HA 1.0 1.993 5.559 1984 1854 A 15 PRO HGx A 43 THR HA 1.0 1.945 4.737 1985 1855 A 78 ILE H A 77 ILE HB 1.0 1.811 3.727 1986 1856 A 59 CYS H A 93 VAL HGy% 1.0 1.983 5.279 1987 1857 A 59 CYS H A 56 ASN HBx 1.0 1.898 4.294 1988 1858 A 31 ARG H A 31 ARG HDy 1.0 1.981 5.249 1989 1859 A 89 TYR H A 89 TYR HBy 1.0 1.874 4.120 1990 1860 A 80 THR H A 79 CYS HBx 1.0 1.798 3.658 1991 1861 A 60 ASP H A 79 CYS HBy 1.0 1.975 5.127 1992 1862 A 33 LEU H A 32 CYS HBy 1.0 1.793 3.635 1993 1863 A 6 HIS HE1 A 21 PHE HEx 1.0 0.000 6.000 1994 1864 A 6 HIS HD2 A 21 PHE HEx 1.0 0.000 6.000 1995 1865 A 6 HIS HD2 A 21 PHE HZ 1.0 1.951 4.791 1996 1866 A 30 TRP HD1 A 30 TRP HA 1.0 0.000 6.000 1997 1867 A 94 PHE HZ A 30 TRP HA 1.0 1.796 3.652 1998 1868 A 6 HIS HE1 A 6 HIS HD2 1.0 1.936 4.628 1999 1869 A 94 PHE H A 60 ASP H 1.0 1.942 4.696 2000 1870 A 59 CYS H A 60 ASP H 1.0 1.918 4.464 2001 1871 A 60 ASP H A 93 VAL H 1.0 1.963 4.953 2002 1872 A 33 LEU H A 36 TYR H 1.0 1.979 5.213 2003 1873 A 94 PHE H A 93 VAL H 1.0 1.596 2.810 2004 1874 A 94 PHE H A 90 TYR HDx 1.0 0.000 6.000 2005 1875 A 94 PHE HZ A 31 ARG H 1.0 1.752 3.434 2006 1876 A 31 ARG H A 30 TRP HE3 1.0 1.802 3.678 2007 1877 A 94 PHE HZ A 19 GLY H 1.0 1.914 4.424 2008 1878 A 19 GLY H A 30 TRP HE3 1.0 1.972 5.080 2009 1879 A 37 LYS H A 36 TYR HEx 1.0 0.000 6.000 2010 1880 A 36 TYR HDx A 37 LYS H 1.0 1.824 3.800 2011 1881 A 45 VAL H A 36 TYR HDx 1.0 1.900 4.312 2012 1882 A 45 VAL H A 36 TYR HEx 1.0 1.979 5.213 2013 1883 A 60 ASP H A 63 ALA H 1.0 1.972 5.088 2014 1884 A 34 LEU H A 93 VAL H 1.0 1.999 5.807 2015 1885 A 6 HIS HE1 A 21 PHE HEy 1.0 1.933 4.599 2016 1885 A 6 HIS HE1 A 21 PHE HEx 1.0 1.933 4.599 2017 1886 A 6 HIS HE1 A 21 PHE HZ 1.0 1.900 4.308 2018 1887 A 31 ARG H A 30 TRP HA 1.0 1.563 2.699 2019 1888 A 94 PHE H A 95 CYS HA 1.0 1.949 4.779 2020 1889 A 31 ARG H A 20 CYS HA 1.0 0.000 6.000 2021 1890 A 37 LYS H A 44 CYS HA 1.0 1.829 3.833 2022 1891 A 37 LYS H A 36 TYR HA 1.0 1.596 2.808 2023 1892 A 37 LYS H A 37 LYS HA 1.0 1.739 3.373 2024 1893 A 37 LYS H A 47 ASN HA 1.0 1.962 4.928 2025 1894 A 45 VAL H A 36 TYR HA 1.0 1.929 4.563 2026 1895 A 45 VAL H A 45 VAL HA 1.0 1.681 3.127 2027 1896 A 45 VAL H A 44 CYS HA 1.0 1.473 2.421 2028 1897 A 43 THR HB A 45 VAL H 1.0 1.997 5.699 2029 1898 A 31 ARG H A 18 ALA HA 1.0 1.956 4.854 2030 1899 A 31 ARG H A 32 CYS HA 1.0 1.987 5.363 2031 1900 A 33 LEU H A 18 ALA HA 1.0 1.633 2.941 2032 1901 A 33 LEU H A 32 CYS HA 1.0 1.576 2.740 2033 1902 A 94 PHE HA A 63 ALA H 1.0 1.978 5.192 2034 1903 A 19 GLY H A 32 CYS HA 1.0 1.838 3.888 2035 1904 A 36 TYR H A 36 TYR HA 1.0 1.734 3.348 2036 1905 A 19 GLY H A 33 LEU HA 1.0 1.963 4.953 2037 1906 A 78 ILE H A 78 ILE HA 1.0 1.696 3.184 2038 1907 A 33 LEU H A 17 ASN HA 1.0 1.977 5.155 2039 1908 A 94 PHE H A 93 VAL HA 1.0 1.832 3.850 2040 1909 A 59 CYS H A 93 VAL HA 1.0 1.962 4.924 2041 1910 A 94 PHE H A 92 GLY HAy 1.0 0.000 6.000 2042 1911 A 57 GLY HAy A 59 CYS H 1.0 1.876 4.130 2043 1912 A 57 GLY H A 55 ASN HA 1.0 1.928 4.554 2044 1913 A 57 GLY H A 52 CYS HA 1.0 1.698 3.192 2045 1914 A 58 GLY H A 57 GLY HAy 1.0 1.856 4.000 2046 1915 A 63 ALA H A 81 CYS HA 1.0 0.000 6.000 2047 1916 A 63 ALA HA A 63 ALA H 1.0 1.679 3.115 2048 1917 A 58 GLY H A 55 ASN HA 1.0 0.000 6.000 2049 1918 A 94 PHE HA A 60 ASP H 1.0 1.914 4.430 2050 1919 A 36 TYR H A 37 LYS HA 1.0 0.000 6.000 2051 1920 A 56 ASN HA A 59 CYS H 1.0 1.975 5.131 2052 1921 A 94 PHE H A 89 TYR HA 1.0 1.993 5.541 2053 1922 A 37 LYS H A 46 GLU HA 1.0 0.000 6.000 2054 1923 A 61 PRO HDx A 60 ASP H 1.0 0.000 6.000 2055 1924 A 58 GLY HAx A 36 TYR H 1.0 1.926 4.536 2056 1925 A 36 TYR H A 36 TYR HBy 1.0 1.716 3.268 2057 1926 A 80 THR H A 64 SER HBx 1.0 1.869 4.087 2058 1927 A 36 TYR H A 35 GLY HAy 1.0 1.834 3.858 2059 1928 A 36 TYR H A 74 SER HA 1.0 1.971 5.061 2060 1929 A 93 VAL HA A 60 ASP H 1.0 1.661 3.045 2061 1930 A 34 LEU H A 93 VAL HA 1.0 1.994 5.570 2062 1931 A 31 ARG H A 30 TRP HBx 1.0 1.742 3.384 2063 1932 A 58 GLY HAx A 57 GLY H 1.0 0.000 6.000 2064 1933 A 94 PHE H A 90 TYR HBy 1.0 1.823 3.793 2065 1934 A 57 GLY H A 55 ASN HBy 1.0 1.835 3.867 2066 1935 A 94 PHE H A 89 TYR HBx 1.0 1.893 4.257 2067 1936 A 59 CYS H A 59 CYS HBx 1.0 0.000 6.000 2068 1937 A 45 VAL H A 44 CYS HBy 1.0 1.910 4.392 2069 1938 A 37 LYS H A 37 LYS HEy 1.0 0.000 6.000 2070 1939 A 59 CYS HBy A 60 ASP H 1.0 1.843 3.911 2071 1940 A 36 TYR H A 32 CYS HBy 1.0 0.000 6.000 2072 1941 A 36 TYR H A 73 ASN HBy 1.0 0.000 6.000 2073 1942 A 59 CYS HBx A 60 ASP H 1.0 1.769 3.511 2074 1943 A 60 ASP H A 34 LEU HDx% 1.0 0.000 6.000 2075 1944 A 78 ILE HG1x A 78 ILE HA 1.0 1.890 4.228 2076 1945 A 9 VAL HGx% A 9 VAL HA 1.0 1.564 2.700 2077 1945 A 9 VAL HGy% A 9 VAL HA 1.0 1.564 2.700 2078 1946 A 79 CYS HA A 80 THR HB 1.0 1.965 4.971 2079 1947 A 38 LYS HA A 44 CYS HA 1.0 1.782 3.574 2080 1948 A 77 ILE HA A 67 ASN HA 1.0 1.922 4.496 2081 1949 A 96 SER HA A 21 PHE HEy 1.0 1.942 4.688 2082 1949 A 96 SER HA A 21 PHE HEx 1.0 1.942 4.688 2083 1950 A 96 SER HA A 21 PHE HZ 1.0 1.916 4.444 2084 1951 A 30 TRP HA A 31 ARG HA 1.0 1.919 4.469 2085 1952 A 95 CYS HBy A 21 PHE HEy 1.0 2.000 5.930 2086 1952 A 95 CYS HBy A 21 PHE HEx 1.0 2.000 5.930 2087 1953 A 21 PHE HDy A 94 PHE HA 1.0 1.966 4.990 2088 1953 A 21 PHE HDx A 94 PHE HA 1.0 1.966 4.990 2089 1954 A 21 PHE HDy A 21 PHE HA 1.0 1.697 3.187 2090 1954 A 21 PHE HDx A 21 PHE HA 1.0 1.697 3.187 2091 1955 A 36 TYR HEx A 36 TYR HA 1.0 0.000 6.000 2092 1956 A 36 TYR HDx A 36 TYR HA 1.0 0.000 6.000 2093 1957 A 32 CYS HA A 36 TYR HEy 1.0 0.000 6.000 2094 1957 A 36 TYR HEx A 32 CYS HA 1.0 0.000 6.000 2095 1958 A 36 TYR HDy A 32 CYS HA 1.0 1.964 4.964 2096 1958 A 36 TYR HDx A 32 CYS HA 1.0 1.964 4.964 2097 1959 A 45 VAL HA A 36 TYR HEy 1.0 1.804 3.694 2098 1959 A 45 VAL HA A 36 TYR HEx 1.0 1.804 3.694 2099 1960 A 36 TYR HDy A 45 VAL HA 1.0 1.702 3.210 2100 1960 A 36 TYR HDx A 45 VAL HA 1.0 1.702 3.210 2101 1961 A 36 TYR HEy A 74 SER HBy 1.0 1.955 4.845 2102 1961 A 36 TYR HEx A 74 SER HBy 1.0 1.955 4.845 2103 1962 A 36 TYR HDy A 74 SER HBy 1.0 1.993 5.529 2104 1962 A 36 TYR HDx A 74 SER HBy 1.0 1.993 5.529 2105 1963 A 36 TYR HEy A 74 SER HBx 1.0 1.889 4.225 2106 1963 A 36 TYR HEx A 74 SER HBx 1.0 1.889 4.225 2107 1964 A 36 TYR HDy A 74 SER HA 1.0 1.987 5.363 2108 1964 A 36 TYR HDx A 74 SER HA 1.0 1.987 5.363 2109 1965 A 17 ASN HA A 36 TYR HEy 1.0 1.917 4.455 2110 1965 A 17 ASN HA A 36 TYR HEx 1.0 1.917 4.455 2111 1966 A 17 ASN HA A 36 TYR HDy 1.0 1.937 4.647 2112 1966 A 17 ASN HA A 36 TYR HDx 1.0 1.937 4.647 2113 1967 A 46 GLU HA A 36 TYR HEy 1.0 0.000 6.000 2114 1967 A 36 TYR HEx A 46 GLU HA 1.0 0.000 6.000 2115 1968 A 36 TYR HDy A 46 GLU HA 1.0 0.000 6.000 2116 1968 A 36 TYR HDx A 46 GLU HA 1.0 0.000 6.000 2117 1969 A 36 TYR HDy A 36 TYR HBy 1.0 1.648 2.996 2118 1969 A 36 TYR HDx A 36 TYR HBy 1.0 1.648 2.996 2119 1970 A 21 PHE HDy A 89 TYR HBy 1.0 1.970 5.050 2120 1970 A 21 PHE HDx A 89 TYR HBy 1.0 1.970 5.050 2121 1971 A 30 TRP HZ2 A 42 ASN HBx 1.0 1.684 3.136 2122 1972 A 38 LYS HEy A 30 TRP HZ2 1.0 1.845 3.931 2123 1972 A 38 LYS HEx A 30 TRP HZ2 1.0 1.845 3.931 2124 1973 A 92 GLY H A 91 GLU HA 1.0 1.705 3.225 2125 1974 A 6 HIS HD2 A 4 PRO HA 1.0 1.937 4.649 2126 1975 A 93 VAL HA A 93 VAL H 1.0 1.733 3.343 2127 1976 A 90 TYR HBy A 94 PHE HDy 1.0 1.808 3.712 2128 1976 A 90 TYR HBy A 94 PHE HDx 1.0 1.808 3.712 2129 1977 A 30 TRP HBx A 30 TRP HE3 1.0 1.727 3.315 2130 1978 A 30 TRP HD1 A 30 TRP HBy 1.0 1.665 3.063 2131 1979 A 94 PHE HDy A 89 TYR HBx 1.0 1.715 3.265 2132 1979 A 94 PHE HDx A 89 TYR HBx 1.0 1.715 3.265 2133 1980 A 30 TRP HBy A 30 TRP HE3 1.0 0.000 6.000 2134 1981 A 94 PHE HBy A 94 PHE HDy 1.0 1.635 2.949 2135 1981 A 94 PHE HBy A 94 PHE HDx 1.0 1.635 2.949 2136 1982 A 36 TYR HDy A 32 CYS HBy 1.0 0.000 6.000 2137 1982 A 36 TYR HDx A 32 CYS HBy 1.0 0.000 6.000 2138 1983 A 31 ARG HA A 30 TRP HE3 1.0 0.000 6.000 2139 1984 A 6 HIS HA A 6 HIS HD2 1.0 1.960 4.914 2140 1985 A 94 PHE HZ A 18 ALA HA 1.0 1.942 4.694 2141 1986 A 18 ALA HA A 30 TRP HE3 1.0 1.945 4.737 2142 1987 A 30 TRP HH2 A 42 ASN HA 1.0 1.601 2.825 2143 1988 A 32 CYS HA A 18 ALA H 1.0 0.000 6.000 2144 1989 A 36 TYR HDy A 44 CYS HA 1.0 1.946 4.742 2145 1989 A 36 TYR HDx A 44 CYS HA 1.0 1.946 4.742 2146 1990 A 50 PRO HDy A 69 GLU HA 1.0 1.828 3.822 2147 1991 A 90 TYR HBy A 19 GLY HAy 1.0 1.784 3.584 2148 1992 A 99 SER HBy A 99 SER HA 1.0 1.954 4.834 2149 1992 A 99 SER HBx A 99 SER HA 1.0 1.954 4.834 2150 1993 A 50 PRO HDy A 77 ILE HD1% 1.0 1.785 3.593 2151 1994 A 37 LYS H A 32 CYS HBy 1.0 1.923 4.507 2152 1995 A 37 LYS H A 36 TYR HBx 1.0 1.688 3.152 2153 1996 A 45 VAL H A 37 LYS HEx 1.0 2.000 5.940 2154 1997 A 30 TRP HD1 A 15 PRO HDy 1.0 1.935 4.627 2155 1998 A 79 CYS HA A 63 ALA HB% 1.0 1.807 3.711 2156 1999 A 36 TYR HDy A 36 TYR HA 1.0 1.987 5.361 2157 1999 A 36 TYR HDx A 36 TYR HA 1.0 1.987 5.361 2158 2000 A 21 PHE HEx A 89 TYR HEx 1.0 0.000 6.000 2159 2001 A 89 TYR H A 94 PHE HDy 1.0 1.950 4.786 2160 2001 A 89 TYR H A 94 PHE HDx 1.0 1.950 4.786 2161 2002 A 6 HIS HD2 A 21 PHE HEy 1.0 1.928 4.558 2162 2002 A 6 HIS HD2 A 21 PHE HEx 1.0 1.928 4.558 2163 2003 A 93 VAL HGx% A 60 ASP H 1.0 1.944 4.716 2164 2004 A 87 ASN HA A 89 TYR HDx 1.0 0.000 6.000 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 save_