data_nef_c30088_5jxv save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5JXV stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLN middle . . 3 A 3 TYR middle . . 4 A 4 LYS middle . . 5 A 5 LEU middle . . 6 A 6 ILE middle . . 7 A 7 LEU middle . . 8 A 8 ASN middle . . 9 A 9 GLY middle . false 10 A 10 LYS middle . . 11 A 11 THR middle . . 12 A 12 LEU middle . . 13 A 13 LYS middle . . 14 A 14 GLY middle . false 15 A 15 GLU middle . . 16 A 16 THR middle . . 17 A 17 THR middle . . 18 A 18 THR middle . . 19 A 19 GLU middle . . 20 A 20 ALA middle . . 21 A 21 VAL middle . . 22 A 22 ASP middle . . 23 A 23 ALA middle . . 24 A 24 ALA middle . . 25 A 25 THR middle . . 26 A 26 ALA middle . . 27 A 27 GLU middle . . 28 A 28 LYS middle . . 29 A 29 VAL middle . . 30 A 30 PHE middle . . 31 A 31 LYS middle . . 32 A 32 GLN middle . . 33 A 33 TYR middle . . 34 A 34 ALA middle . . 35 A 35 ASN middle . . 36 A 36 ASP middle . . 37 A 37 ASN middle . . 38 A 38 GLY middle . false 39 A 39 VAL middle . . 40 A 40 ASP middle . . 41 A 41 GLY middle . false 42 A 42 GLU middle . . 43 A 43 TRP middle . . 44 A 44 THR middle . . 45 A 45 TYR middle . . 46 A 46 ASP middle . . 47 A 47 ASP middle . . 48 A 48 ALA middle . . 49 A 49 THR middle . . 50 A 50 LYS middle . . 51 A 51 THR middle . . 52 A 52 PHE middle . . 53 A 53 THR middle . . 54 A 54 VAL middle . . 55 A 55 THR middle . . 56 A 56 GLU end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.125 0.05 A 1 MET HB2 H 1 2.160 0.05 A 1 MET HB3 H 1 2.160 0.05 A 1 MET HE% H 1 1.983 0.05 A 1 MET HG2 H 1 2.216 0.05 A 1 MET HG3 H 1 2.216 0.05 A 1 MET C C 13 171.217 0.1 A 1 MET CA C 13 54.309 0.1 A 1 MET CB C 13 32.155 0.1 A 1 MET CE C 13 15.717 0.1 A 1 MET CG C 13 29.965 0.1 A 1 MET N N 15 106.349 0.4 A 2 GLN H H 1 8.569 0.05 A 2 GLN HA H 1 5.036 0.05 A 2 GLN HBy H 1 2.132 0.05 A 2 GLN HBx H 1 1.934 0.05 A 2 GLN HE21 H 1 8.104 0.05 A 2 GLN HE22 H 1 7.252 0.05 A 2 GLN HGy H 1 2.494 0.05 A 2 GLN HGx H 1 2.178 0.05 A 2 GLN C C 13 174.852 0.1 A 2 GLN CA C 13 55.908 0.1 A 2 GLN CB C 13 30.223 0.1 A 2 GLN CG C 13 35.298 0.1 A 2 GLN N N 15 125.843 0.4 A 2 GLN NE2 N 15 114.126 0.4 A 3 TYR H H 1 9.183 0.05 A 3 TYR HA H 1 5.454 0.05 A 3 TYR HBy H 1 3.451 0.05 A 3 TYR HBx H 1 2.839 0.05 A 3 TYR C C 13 174.693 0.1 A 3 TYR CA C 13 57.087 0.1 A 3 TYR CB C 13 43.392 0.1 A 3 TYR N N 15 123.966 0.4 A 4 LYS H H 1 9.334 0.05 A 4 LYS HA H 1 5.412 0.05 A 4 LYS HBy H 1 2.156 0.05 A 4 LYS HBx H 1 1.997 0.05 A 4 LYS HDy H 1 1.844 0.05 A 4 LYS HDx H 1 1.744 0.05 A 4 LYS HEy H 1 2.995 0.05 A 4 LYS HEx H 1 2.870 0.05 A 4 LYS HG2 H 1 1.542 0.05 A 4 LYS HG3 H 1 1.542 0.05 A 4 LYS C C 13 173.065 0.1 A 4 LYS CA C 13 54.912 0.1 A 4 LYS CB C 13 36.162 0.1 A 4 LYS CD C 13 28.858 0.1 A 4 LYS CE C 13 42.008 0.1 A 4 LYS CG C 13 25.556 0.1 A 4 LYS N N 15 123.295 0.4 A 4 LYS NZ N 15 33.484 0.4 A 5 LEU H H 1 9.297 0.05 A 5 LEU HA H 1 5.012 0.05 A 5 LEU HBy H 1 1.219 0.05 A 5 LEU HBx H 1 -0.944 0.05 A 5 LEU HDx% H 1 0.712 0.05 A 5 LEU HDy% H 1 0.700 0.05 A 5 LEU HG H 1 1.056 0.05 A 5 LEU C C 13 174.697 0.1 A 5 LEU CA C 13 52.984 0.1 A 5 LEU CB C 13 42.400 0.1 A 5 LEU CDy C 13 25.734 0.1 A 5 LEU CDx C 13 25.057 0.1 A 5 LEU CG C 13 27.235 0.1 A 5 LEU N N 15 127.500 0.4 A 6 ILE H H 1 9.084 0.05 A 6 ILE HA H 1 4.733 0.05 A 6 ILE HB H 1 2.053 0.05 A 6 ILE HD1% H 1 0.989 0.05 A 6 ILE HG1y H 1 1.679 0.05 A 6 ILE HG1x H 1 1.425 0.05 A 6 ILE HG2% H 1 1.025 0.05 A 6 ILE C C 13 175.037 0.1 A 6 ILE CA C 13 59.993 0.1 A 6 ILE CB C 13 37.745 0.1 A 6 ILE CD1 C 13 12.560 0.1 A 6 ILE CG1 C 13 27.323 0.1 A 6 ILE CG2 C 13 17.576 0.1 A 6 ILE N N 15 126.454 0.4 A 7 LEU H H 1 9.365 0.05 A 7 LEU HA H 1 4.493 0.05 A 7 LEU HBy H 1 1.831 0.05 A 7 LEU HBx H 1 1.405 0.05 A 7 LEU HDx% H 1 0.855 0.05 A 7 LEU HDy% H 1 0.876 0.05 A 7 LEU HG H 1 1.440 0.05 A 7 LEU C C 13 174.894 0.1 A 7 LEU CA C 13 54.761 0.1 A 7 LEU CB C 13 42.917 0.1 A 7 LEU CDy C 13 26.063 0.1 A 7 LEU CDx C 13 24.964 0.1 A 7 LEU CG C 13 26.971 0.1 A 7 LEU N N 15 127.325 0.4 A 8 ASN H H 1 9.133 0.05 A 8 ASN HA H 1 5.531 0.05 A 8 ASN HBy H 1 3.387 0.05 A 8 ASN HBx H 1 2.478 0.05 A 8 ASN HD21 H 1 7.829 0.05 A 8 ASN HD22 H 1 7.049 0.05 A 8 ASN C C 13 176.335 0.1 A 8 ASN CA C 13 50.695 0.1 A 8 ASN CB C 13 38.278 0.1 A 8 ASN N N 15 125.205 0.4 A 8 ASN ND2 N 15 110.882 0.4 A 9 GLY H H 1 8.359 0.05 A 9 GLY HAx H 1 4.166 0.05 A 9 GLY HAy H 1 4.477 0.05 A 9 GLY C C 13 172.931 0.1 A 9 GLY CA C 13 44.670 0.1 A 9 GLY N N 15 110.043 0.4 A 10 LYS H H 1 10.086 0.05 A 10 LYS HA H 1 4.210 0.05 A 10 LYS HB2 H 1 2.021 0.05 A 10 LYS HB3 H 1 2.021 0.05 A 10 LYS HD2 H 1 1.864 0.05 A 10 LYS HD3 H 1 1.864 0.05 A 10 LYS HEy H 1 3.147 0.05 A 10 LYS HEx H 1 2.974 0.05 A 10 LYS HG2 H 1 1.638 0.05 A 10 LYS HG3 H 1 1.638 0.05 A 10 LYS C C 13 178.981 0.1 A 10 LYS CA C 13 59.323 0.1 A 10 LYS CB C 13 32.687 0.1 A 10 LYS CD C 13 29.102 0.1 A 10 LYS CE C 13 42.084 0.1 A 10 LYS CG C 13 25.613 0.1 A 10 LYS N N 15 121.363 0.4 A 11 THR H H 1 9.124 0.05 A 11 THR HA H 1 4.611 0.05 A 11 THR HB H 1 4.321 0.05 A 11 THR HG2% H 1 1.282 0.05 A 11 THR C C 13 173.305 0.1 A 11 THR CA C 13 62.042 0.1 A 11 THR CB C 13 69.293 0.1 A 11 THR CG2 C 13 22.418 0.1 A 11 THR N N 15 106.517 0.4 A 12 LEU H H 1 7.567 0.05 A 12 LEU HA H 1 5.451 0.05 A 12 LEU HBy H 1 1.838 0.05 A 12 LEU HBx H 1 1.403 0.05 A 12 LEU HDx% H 1 0.834 0.05 A 12 LEU HDy% H 1 0.966 0.05 A 12 LEU HG H 1 1.443 0.05 A 12 LEU C C 13 173.626 0.1 A 12 LEU CA C 13 54.534 0.1 A 12 LEU CB C 13 42.844 0.1 A 12 LEU CDy C 13 25.965 0.1 A 12 LEU CDx C 13 22.912 0.1 A 12 LEU CG C 13 27.834 0.1 A 12 LEU N N 15 128.400 0.4 A 13 LYS H H 1 8.977 0.05 A 13 LYS HA H 1 5.216 0.05 A 13 LYS HBy H 1 2.220 0.05 A 13 LYS HBx H 1 1.815 0.05 A 13 LYS HDx H 1 1.804 0.05 A 13 LYS HDy H 1 1.970 0.05 A 13 LYS HEy H 1 3.287 0.05 A 13 LYS HEx H 1 3.097 0.05 A 13 LYS HGx H 1 1.540 0.05 A 13 LYS HGy H 1 1.768 0.05 A 13 LYS C C 13 175.551 0.1 A 13 LYS CA C 13 53.422 0.1 A 13 LYS CB C 13 39.007 0.1 A 13 LYS CD C 13 29.753 0.1 A 13 LYS CE C 13 42.968 0.1 A 13 LYS CG C 13 26.151 0.1 A 13 LYS N N 15 123.763 0.4 A 14 GLY H H 1 8.667 0.05 A 14 GLY HAx H 1 3.822 0.05 A 14 GLY HAy H 1 5.484 0.05 A 14 GLY C C 13 171.163 0.1 A 14 GLY CA C 13 44.873 0.1 A 14 GLY N N 15 105.880 0.4 A 15 GLU H H 1 9.011 0.05 A 15 GLU HA H 1 5.832 0.05 A 15 GLU HB2 H 1 2.142 0.05 A 15 GLU HB3 H 1 2.142 0.05 A 15 GLU HG2 H 1 2.486 0.05 A 15 GLU HG3 H 1 2.486 0.05 A 15 GLU C C 13 174.058 0.1 A 15 GLU CA C 13 53.943 0.1 A 15 GLU CB C 13 34.166 0.1 A 15 GLU CG C 13 35.486 0.1 A 15 GLU N N 15 121.404 0.4 A 16 THR H H 1 8.995 0.05 A 16 THR HA H 1 4.779 0.05 A 16 THR HB H 1 3.955 0.05 A 16 THR HG2% H 1 0.970 0.05 A 16 THR C C 13 171.666 0.1 A 16 THR CA C 13 60.185 0.1 A 16 THR CB C 13 70.438 0.1 A 16 THR CG2 C 13 19.963 0.1 A 16 THR N N 15 115.207 0.4 A 17 THR H H 1 8.476 0.05 A 17 THR HA H 1 5.924 0.05 A 17 THR HB H 1 4.278 0.05 A 17 THR HG2% H 1 1.299 0.05 A 17 THR C C 13 173.996 0.1 A 17 THR CA C 13 60.299 0.1 A 17 THR CB C 13 72.547 0.1 A 17 THR CG2 C 13 21.634 0.1 A 17 THR N N 15 116.739 0.4 A 18 THR H H 1 9.304 0.05 A 18 THR HA H 1 4.836 0.05 A 18 THR HB H 1 3.876 0.05 A 18 THR HG2% H 1 0.607 0.05 A 18 THR C C 13 170.874 0.1 A 18 THR CA C 13 61.444 0.1 A 18 THR CB C 13 70.998 0.1 A 18 THR CG2 C 13 18.727 0.1 A 18 THR N N 15 116.544 0.4 A 19 GLU H H 1 7.956 0.05 A 19 GLU HA H 1 5.257 0.05 A 19 GLU C C 13 175.589 0.1 A 19 GLU CA C 13 54.271 0.1 A 19 GLU N N 15 126.049 0.4 A 20 ALA H H 1 9.575 0.05 A 20 ALA HA H 1 5.059 0.05 A 20 ALA HB% H 1 1.459 0.05 A 20 ALA C C 13 177.589 0.1 A 20 ALA CA C 13 50.719 0.1 A 20 ALA CB C 13 23.643 0.1 A 20 ALA N N 15 126.302 0.4 A 21 VAL H H 1 8.824 0.05 A 21 VAL HA H 1 4.114 0.05 A 21 VAL HB H 1 2.527 0.05 A 21 VAL HGx% H 1 1.311 0.05 A 21 VAL HGy% H 1 1.209 0.05 A 21 VAL C C 13 174.917 0.1 A 21 VAL CA C 13 63.643 0.1 A 21 VAL CB C 13 31.994 0.1 A 21 VAL CGy C 13 21.566 0.1 A 21 VAL CGx C 13 19.897 0.1 A 21 VAL N N 15 115.969 0.4 A 22 ASP H H 1 7.408 0.05 A 22 ASP HA H 1 4.951 0.05 A 22 ASP HBy H 1 3.324 0.05 A 22 ASP HBx H 1 3.214 0.05 A 22 ASP C C 13 175.028 0.1 A 22 ASP CA C 13 52.511 0.1 A 22 ASP CB C 13 42.494 0.1 A 22 ASP N N 15 115.525 0.4 A 23 ALA H H 1 9.422 0.05 A 23 ALA HA H 1 3.375 0.05 A 23 ALA HB% H 1 1.533 0.05 A 23 ALA C C 13 179.736 0.1 A 23 ALA CA C 13 54.581 0.1 A 23 ALA CB C 13 18.301 0.1 A 23 ALA N N 15 123.421 0.4 A 24 ALA H H 1 8.294 0.05 A 24 ALA HA H 1 4.224 0.05 A 24 ALA HB% H 1 1.483 0.05 A 24 ALA C C 13 181.361 0.1 A 24 ALA CA C 13 54.573 0.1 A 24 ALA CB C 13 18.115 0.1 A 24 ALA N N 15 121.052 0.4 A 25 THR H H 1 8.582 0.05 A 25 THR HA H 1 3.841 0.05 A 25 THR HB H 1 4.218 0.05 A 25 THR HG2% H 1 1.387 0.05 A 25 THR C C 13 175.607 0.1 A 25 THR CA C 13 67.640 0.1 A 25 THR CB C 13 67.707 0.1 A 25 THR CG2 C 13 21.338 0.1 A 25 THR N N 15 117.731 0.4 A 26 ALA H H 1 7.465 0.05 A 26 ALA HA H 1 3.195 0.05 A 26 ALA HB% H 1 0.695 0.05 A 26 ALA C C 13 177.150 0.1 A 26 ALA CA C 13 55.150 0.1 A 26 ALA CB C 13 17.439 0.1 A 26 ALA N N 15 124.204 0.4 A 27 GLU H H 1 8.812 0.05 A 27 GLU HA H 1 3.007 0.05 A 27 GLU HBy H 1 2.262 0.05 A 27 GLU HBx H 1 2.096 0.05 A 27 GLU HG2 H 1 1.986 0.05 A 27 GLU HG3 H 1 1.986 0.05 A 27 GLU C C 13 177.733 0.1 A 27 GLU CA C 13 59.175 0.1 A 27 GLU CB C 13 28.941 0.1 A 27 GLU CG C 13 35.640 0.1 A 27 GLU N N 15 116.577 0.4 A 28 LYS H H 1 7.131 0.05 A 28 LYS HA H 1 3.775 0.05 A 28 LYS HBy H 1 2.077 0.05 A 28 LYS HBx H 1 1.953 0.05 A 28 LYS HDy H 1 1.811 0.05 A 28 LYS HDx H 1 1.682 0.05 A 28 LYS HE2 H 1 2.974 0.05 A 28 LYS HE3 H 1 2.974 0.05 A 28 LYS HGy H 1 1.856 0.05 A 28 LYS HGx H 1 1.374 0.05 A 28 LYS C C 13 178.531 0.1 A 28 LYS CA C 13 60.385 0.1 A 28 LYS CB C 13 32.713 0.1 A 28 LYS CD C 13 30.139 0.1 A 28 LYS CE C 13 42.226 0.1 A 28 LYS CG C 13 26.551 0.1 A 28 LYS N N 15 117.709 0.4 A 28 LYS NZ N 15 33.221 0.4 A 29 VAL H H 1 7.653 0.05 A 29 VAL HA H 1 3.567 0.05 A 29 VAL HB H 1 1.828 0.05 A 29 VAL HGx% H 1 1.018 0.05 A 29 VAL HGy% H 1 0.868 0.05 A 29 VAL C C 13 178.327 0.1 A 29 VAL CA C 13 66.526 0.1 A 29 VAL CB C 13 31.801 0.1 A 29 VAL CGy C 13 22.240 0.1 A 29 VAL CGx C 13 21.100 0.1 A 29 VAL N N 15 119.265 0.4 A 30 PHE H H 1 8.821 0.05 A 30 PHE HA H 1 4.874 0.05 A 30 PHE HBy H 1 3.373 0.05 A 30 PHE HBx H 1 2.775 0.05 A 30 PHE C C 13 178.986 0.1 A 30 PHE CA C 13 57.529 0.1 A 30 PHE CB C 13 37.630 0.1 A 30 PHE N N 15 118.772 0.4 A 31 LYS H H 1 9.179 0.05 A 31 LYS HA H 1 4.372 0.05 A 31 LYS HBy H 1 1.882 0.05 A 31 LYS HBx H 1 1.702 0.05 A 31 LYS HDy H 1 1.423 0.05 A 31 LYS HDx H 1 1.136 0.05 A 31 LYS HEy H 1 1.807 0.05 A 31 LYS HEx H 1 1.638 0.05 A 31 LYS HGx H 1 0.486 0.05 A 31 LYS HGy H 1 0.820 0.05 A 31 LYS C C 13 179.683 0.1 A 31 LYS CA C 13 60.190 0.1 A 31 LYS CB C 13 31.620 0.1 A 31 LYS CD C 13 29.483 0.1 A 31 LYS CE C 13 40.984 0.1 A 31 LYS CG C 13 27.242 0.1 A 31 LYS N N 15 120.812 0.4 A 31 LYS NZ N 15 32.547 0.4 A 32 GLN H H 1 8.058 0.05 A 32 GLN HA H 1 4.106 0.05 A 32 GLN HB2 H 1 2.403 0.05 A 32 GLN HB3 H 1 2.403 0.05 A 32 GLN HE21 H 1 8.201 0.05 A 32 GLN HE22 H 1 7.106 0.05 A 32 GLN HG2 H 1 2.456 0.05 A 32 GLN HG3 H 1 2.456 0.05 A 32 GLN C C 13 177.375 0.1 A 32 GLN CA C 13 58.916 0.1 A 32 GLN CB C 13 28.857 0.1 A 32 GLN CG C 13 34.225 0.1 A 32 GLN N N 15 121.684 0.4 A 32 GLN NE2 N 15 116.383 0.4 A 33 TYR H H 1 8.771 0.05 A 33 TYR HA H 1 4.336 0.05 A 33 TYR HBy H 1 3.489 0.05 A 33 TYR HBx H 1 3.358 0.05 A 33 TYR C C 13 178.450 0.1 A 33 TYR CA C 13 61.664 0.1 A 33 TYR CB C 13 38.803 0.1 A 33 TYR N N 15 121.199 0.4 A 34 ALA H H 1 9.288 0.05 A 34 ALA HA H 1 3.811 0.05 A 34 ALA HB% H 1 1.988 0.05 A 34 ALA C C 13 179.369 0.1 A 34 ALA CA C 13 56.152 0.1 A 34 ALA CB C 13 17.991 0.1 A 34 ALA N N 15 122.840 0.4 A 35 ASN H H 1 8.544 0.05 A 35 ASN HA H 1 4.559 0.05 A 35 ASN HB2 H 1 3.083 0.05 A 35 ASN HB3 H 1 3.083 0.05 A 35 ASN HD21 H 1 7.799 0.05 A 35 ASN HD22 H 1 7.362 0.05 A 35 ASN C C 13 179.346 0.1 A 35 ASN CA C 13 57.204 0.1 A 35 ASN CB C 13 39.441 0.1 A 35 ASN N N 15 118.505 0.4 A 35 ASN ND2 N 15 113.977 0.4 A 36 ASP H H 1 9.146 0.05 A 36 ASP HA H 1 4.400 0.05 A 36 ASP HBy H 1 2.947 0.05 A 36 ASP HBx H 1 2.646 0.05 A 36 ASP C C 13 175.772 0.1 A 36 ASP CA C 13 55.949 0.1 A 36 ASP CB C 13 38.261 0.1 A 36 ASP N N 15 121.443 0.4 A 37 ASN H H 1 7.432 0.05 A 37 ASN HA H 1 4.765 0.05 A 37 ASN HBy H 1 2.848 0.05 A 37 ASN HBx H 1 2.089 0.05 A 37 ASN HD21 H 1 6.549 0.05 A 37 ASN HD22 H 1 6.217 0.05 A 37 ASN C C 13 173.992 0.1 A 37 ASN CA C 13 53.597 0.1 A 37 ASN CB C 13 40.370 0.1 A 37 ASN N N 15 115.282 0.4 A 37 ASN ND2 N 15 114.570 0.4 A 38 GLY H H 1 8.033 0.05 A 38 GLY HAx H 1 3.942 0.05 A 38 GLY HAy H 1 4.137 0.05 A 38 GLY C C 13 173.844 0.1 A 38 GLY CA C 13 46.873 0.1 A 38 GLY N N 15 108.643 0.4 A 39 VAL H H 1 8.342 0.05 A 39 VAL HA H 1 4.205 0.05 A 39 VAL HB H 1 2.023 0.05 A 39 VAL HGx% H 1 0.822 0.05 A 39 VAL HGy% H 1 0.960 0.05 A 39 VAL C C 13 174.944 0.1 A 39 VAL CA C 13 61.874 0.1 A 39 VAL CB C 13 31.664 0.1 A 39 VAL CGy C 13 21.989 0.1 A 39 VAL CGx C 13 21.909 0.1 A 39 VAL N N 15 122.050 0.4 A 40 ASP H H 1 9.261 0.05 A 40 ASP HA H 1 5.163 0.05 A 40 ASP HBy H 1 3.068 0.05 A 40 ASP HBx H 1 2.679 0.05 A 40 ASP C C 13 174.938 0.1 A 40 ASP CA C 13 52.725 0.1 A 40 ASP CB C 13 41.554 0.1 A 40 ASP N N 15 131.577 0.4 A 41 GLY H H 1 8.160 0.05 A 41 GLY HAy H 1 4.874 0.05 A 41 GLY HAx H 1 3.476 0.05 A 41 GLY C C 13 172.591 0.1 A 41 GLY CA C 13 45.129 0.1 A 41 GLY N N 15 108.748 0.4 A 42 GLU H H 1 8.724 0.05 A 42 GLU HA H 1 5.320 0.05 A 42 GLU HBy H 1 2.295 0.05 A 42 GLU HBx H 1 2.156 0.05 A 42 GLU HG2 H 1 2.495 0.05 A 42 GLU HG3 H 1 2.495 0.05 A 42 GLU C C 13 177.880 0.1 A 42 GLU CA C 13 55.241 0.1 A 42 GLU CB C 13 31.465 0.1 A 42 GLU CG C 13 36.221 0.1 A 42 GLU N N 15 119.574 0.4 A 43 TRP H H 1 9.466 0.05 A 43 TRP HA H 1 6.050 0.05 A 43 TRP HBy H 1 3.740 0.05 A 43 TRP HBx H 1 3.345 0.05 A 43 TRP HD1 H 1 7.622 0.05 A 43 TRP HE1 H 1 10.743 0.05 A 43 TRP HE3 H 1 7.952 0.05 A 43 TRP HH2 H 1 6.891 0.05 A 43 TRP HZ2 H 1 7.535 0.05 A 43 TRP HZ3 H 1 6.846 0.05 A 43 TRP C C 13 176.791 0.1 A 43 TRP CA C 13 57.607 0.1 A 43 TRP CB C 13 33.505 0.1 A 43 TRP CD1 C 13 126.362 0.1 A 43 TRP CE3 C 13 119.538 0.1 A 43 TRP CH2 C 13 121.980 0.1 A 43 TRP CZ2 C 13 114.039 0.1 A 43 TRP CZ3 C 13 119.632 0.1 A 43 TRP N N 15 125.468 0.4 A 43 TRP NE1 N 15 131.870 0.4 A 44 THR H H 1 9.041 0.05 A 44 THR HA H 1 5.670 0.05 A 44 THR HB H 1 4.294 0.05 A 44 THR HG2% H 1 1.200 0.05 A 44 THR C C 13 173.810 0.1 A 44 THR CA C 13 60.960 0.1 A 44 THR CB C 13 73.154 0.1 A 44 THR CG2 C 13 20.900 0.1 A 44 THR N N 15 108.848 0.4 A 45 TYR H H 1 9.389 0.05 A 45 TYR HA H 1 5.061 0.05 A 45 TYR HBy H 1 3.141 0.05 A 45 TYR HBx H 1 2.406 0.05 A 45 TYR C C 13 171.739 0.1 A 45 TYR CA C 13 57.909 0.1 A 45 TYR CB C 13 42.855 0.1 A 45 TYR N N 15 118.922 0.4 A 46 ASP H H 1 7.522 0.05 A 46 ASP HA H 1 5.234 0.05 A 46 ASP HBx H 1 2.416 0.05 A 46 ASP HBy H 1 3.024 0.05 A 46 ASP C C 13 176.173 0.1 A 46 ASP CA C 13 50.984 0.1 A 46 ASP CB C 13 42.718 0.1 A 46 ASP N N 15 126.724 0.4 A 47 ASP H H 1 8.823 0.05 A 47 ASP HA H 1 4.615 0.05 A 47 ASP HBy H 1 3.007 0.05 A 47 ASP HBx H 1 2.549 0.05 A 47 ASP C C 13 177.072 0.1 A 47 ASP CA C 13 54.471 0.1 A 47 ASP CB C 13 42.998 0.1 A 47 ASP N N 15 123.755 0.4 A 48 ALA H H 1 8.713 0.05 A 48 ALA HA H 1 4.406 0.05 A 48 ALA HB% H 1 1.596 0.05 A 48 ALA C C 13 179.072 0.1 A 48 ALA CA C 13 53.921 0.1 A 48 ALA CB C 13 19.104 0.1 A 48 ALA N N 15 119.072 0.4 A 49 THR H H 1 7.117 0.05 A 49 THR HA H 1 4.394 0.05 A 49 THR HB H 1 4.525 0.05 A 49 THR HG2% H 1 1.169 0.05 A 49 THR C C 13 175.519 0.1 A 49 THR CA C 13 60.441 0.1 A 49 THR CB C 13 69.934 0.1 A 49 THR CG2 C 13 21.499 0.1 A 49 THR N N 15 104.581 0.4 A 50 LYS H H 1 8.043 0.05 A 50 LYS HA H 1 4.426 0.05 A 50 LYS HBy H 1 2.464 0.05 A 50 LYS HBx H 1 2.115 0.05 A 50 LYS HD2 H 1 1.762 0.05 A 50 LYS HD3 H 1 1.762 0.05 A 50 LYS HEy H 1 3.136 0.05 A 50 LYS HEx H 1 2.912 0.05 A 50 LYS HGx H 1 0.977 0.05 A 50 LYS HGy H 1 1.374 0.05 A 50 LYS C C 13 175.259 0.1 A 50 LYS CA C 13 55.456 0.1 A 50 LYS CB C 13 27.745 0.1 A 50 LYS CD C 13 28.277 0.1 A 50 LYS CE C 13 43.334 0.1 A 50 LYS CG C 13 24.196 0.1 A 50 LYS N N 15 119.411 0.4 A 51 THR H H 1 7.506 0.05 A 51 THR HA H 1 5.594 0.05 A 51 THR HB H 1 3.905 0.05 A 51 THR HG2% H 1 1.220 0.05 A 51 THR C C 13 174.115 0.1 A 51 THR CA C 13 62.559 0.1 A 51 THR CB C 13 71.600 0.1 A 51 THR CG2 C 13 21.186 0.1 A 51 THR N N 15 112.439 0.4 A 52 PHE H H 1 10.846 0.05 A 52 PHE HA H 1 6.137 0.05 A 52 PHE HBy H 1 3.599 0.05 A 52 PHE HBx H 1 3.255 0.05 A 52 PHE C C 13 175.683 0.1 A 52 PHE CA C 13 56.595 0.1 A 52 PHE CB C 13 43.379 0.1 A 52 PHE N N 15 130.499 0.4 A 53 THR H H 1 9.334 0.05 A 53 THR HA H 1 5.546 0.05 A 53 THR HB H 1 4.000 0.05 A 53 THR HG2% H 1 1.337 0.05 A 53 THR C C 13 171.780 0.1 A 53 THR CA C 13 60.350 0.1 A 53 THR CB C 13 71.961 0.1 A 53 THR CG2 C 13 20.970 0.1 A 53 THR N N 15 112.200 0.4 A 54 VAL H H 1 8.263 0.05 A 54 VAL HA H 1 4.718 0.05 A 54 VAL HB H 1 -0.344 0.05 A 54 VAL HGx% H 1 0.023 0.05 A 54 VAL HGy% H 1 0.655 0.05 A 54 VAL C C 13 172.365 0.1 A 54 VAL CA C 13 58.621 0.1 A 54 VAL CB C 13 32.614 0.1 A 54 VAL CGy C 13 21.886 0.1 A 54 VAL CGx C 13 19.664 0.1 A 54 VAL N N 15 118.240 0.4 A 55 THR H H 1 8.517 0.05 A 55 THR HA H 1 4.862 0.05 A 55 THR HB H 1 4.019 0.05 A 55 THR HG2% H 1 1.507 0.05 A 55 THR C C 13 173.940 0.1 A 55 THR CA C 13 61.337 0.1 A 55 THR CB C 13 72.229 0.1 A 55 THR CG2 C 13 21.203 0.1 A 55 THR N N 15 124.280 0.4 A 56 GLU H H 1 8.007 0.05 A 56 GLU HA H 1 4.595 0.05 A 56 GLU HBy H 1 2.432 0.05 A 56 GLU HBx H 1 2.097 0.05 A 56 GLU HG2 H 1 2.347 0.05 A 56 GLU HG3 H 1 2.347 0.05 A 56 GLU C C 13 180.402 0.1 A 56 GLU CA C 13 57.562 0.1 A 56 GLU CB C 13 33.265 0.1 A 56 GLU CG C 13 38.915 0.1 A 56 GLU N N 15 131.006 0.4 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 MET HA A 1 MET HE% 1.0 . 5.49 2 2 A 2 GLN HA A 3 TYR H 1.0 . 3.38 3 3 A 2 GLN HA A 3 TYR HA 1.0 . 4.47 4 4 A 3 TYR HA A 2 GLN HE22 1.0 . 4.71 5 5 A 3 TYR HA A 4 LYS H 1.0 . 3.41 6 6 A 3 TYR HA A 2 GLN HBy 1.0 . 5.43 7 7 A 3 TYR HA A 4 LYS HBy 1.0 . 5.44 8 8 A 3 TYR HA A 2 GLN HGx 1.0 . 5.50 9 9 A 42 GLU HA A 43 TRP H 1.0 . 3.33 10 10 A 42 GLU HA A 43 TRP HD1 1.0 . 4.10 11 11 A 42 GLU HA A 41 GLY HAx 1.0 . 5.23 12 12 A 42 GLU HA A 43 TRP HBx 1.0 . 5.50 13 13 A 42 GLU HA A 42 GLU HG2 1.0 . 4.23 14 13 A 42 GLU HA A 42 GLU HG3 1.0 . 4.23 15 14 A 4 LYS HA A 5 LEU H 1.0 . 3.27 16 15 A 4 LYS HA A 17 THR HA 1.0 . 3.64 17 16 A 4 LYS HA A 17 THR HG2% 1.0 . 4.53 18 17 A 4 LYS HA A 4 LYS HDx 1.0 . 5.50 19 18 A 12 LEU HA A 13 LYS H 1.0 . 3.45 20 19 A 4 LYS HA A 17 THR HB 1.0 . 4.41 21 20 A 12 LEU HA A 12 LEU HDy% 1.0 . 4.32 22 21 A 12 LEU HA A 11 THR HA 1.0 . 4.50 23 22 A 5 LEU HA A 6 ILE HB 1.0 . 5.50 24 23 A 5 LEU HA A 5 LEU HDx% 1.0 . 5.40 25 24 A 5 LEU HA A 6 ILE H 1.0 . 3.57 26 25 A 5 LEU HA A 6 ILE HD1% 1.0 . 5.50 27 26 A 5 LEU HA A 5 LEU HDy% 1.0 . 4.89 28 27 A 39 VAL HA A 40 ASP HA 1.0 . 4.65 29 28 A 22 ASP HA A 23 ALA HB% 1.0 . 5.27 30 29 A 5 LEU HA A 6 ILE HG1x 1.0 . 5.27 31 30 A 5 LEU HA A 4 LYS HG2 1.0 . 5.50 32 30 A 5 LEU HA A 4 LYS HG3 1.0 . 5.50 33 31 A 16 THR HA A 17 THR H 1.0 . 3.12 34 32 A 6 ILE HA A 7 LEU H 1.0 . 3.38 35 33 A 6 ILE HA A 15 GLU HA 1.0 . 3.70 36 34 A 6 ILE HA A 15 GLU HG2 1.0 . 4.99 37 34 A 6 ILE HA A 15 GLU HG3 1.0 . 4.99 38 35 A 7 LEU HA A 8 ASN H 1.0 . 3.27 39 36 A 7 LEU HA A 7 LEU HDy% 1.0 . 4.48 40 37 A 7 LEU HA A 54 VAL HGy% 1.0 . 4.30 41 38 A 46 ASP HA A 47 ASP HA 1.0 . 4.47 42 39 A 7 LEU HA A 8 ASN HA 1.0 . 5.07 43 40 A 8 ASN HA A 9 GLY HAy 1.0 . 5.50 44 41 A 8 ASN HA A 13 LYS HGx 1.0 . 5.07 45 42 A 8 ASN HA A 55 THR HG2% 1.0 . 5.50 46 43 A 8 ASN HA A 13 LYS HEy 1.0 . 5.45 47 44 A 8 ASN HA A 13 LYS HDx 1.0 . 4.48 48 45 A 9 GLY HAy A 56 GLU HBx 1.0 . 4.54 49 46 A 10 LYS HA A 12 LEU H 1.0 . 4.35 50 47 A 10 LYS HA A 10 LYS HG2 1.0 . 4.08 51 47 A 10 LYS HA A 10 LYS HG3 1.0 . 4.08 52 48 A 32 GLN HA A 35 ASN HB2 1.0 . 3.88 53 48 A 32 GLN HA A 35 ASN HB3 1.0 . 3.88 54 49 A 11 THR HA A 11 THR HG2% 1.0 . 3.75 55 50 A 12 LEU HA A 12 LEU HDx% 1.0 . 5.04 56 51 A 8 ASN HA A 13 LYS HA 1.0 . 4.39 57 52 A 13 LYS HA A 14 GLY HAy 1.0 . 5.38 58 53 A 12 LEU HA A 13 LYS HA 1.0 . 5.50 59 54 A 13 LYS HA A 13 LYS HDy 1.0 . 4.69 60 55 A 13 LYS HDx A 13 LYS HA 1.0 . 5.42 61 56 A 15 GLU HA A 5 LEU HBy 1.0 . 4.65 62 57 A 7 LEU H A 15 GLU HA 1.0 . 4.01 63 58 A 15 GLU HA A 16 THR H 1.0 . 3.21 64 59 A 15 GLU HA A 6 ILE HG2% 1.0 . 5.45 65 60 A 15 GLU HA A 7 LEU HDx% 1.0 . 5.50 66 61 A 15 GLU HA A 16 THR HG2% 1.0 . 5.50 67 62 A 15 GLU HA A 7 LEU HG 1.0 . 4.81 68 63 A 6 ILE HG1x A 15 GLU HA 1.0 . 5.50 69 64 A 15 GLU HA A 7 LEU HBx 1.0 . 5.50 70 65 A 17 THR HA A 18 THR H 1.0 . 3.37 71 66 A 17 THR HA A 18 THR HA 1.0 . 4.81 72 67 A 17 THR HA A 16 THR HA 1.0 . 4.91 73 68 A 9 GLY H A 55 THR HA 1.0 . 4.98 74 69 A 55 THR HA A 54 VAL H 1.0 . 5.49 75 70 A 55 THR HA A 56 GLU H 1.0 . 3.19 76 71 A 8 ASN HA A 55 THR HA 1.0 . 4.62 77 72 A 55 THR HA A 8 ASN HBy 1.0 . 4.00 78 73 A 55 THR HA A 8 ASN HBx 1.0 . 4.49 79 74 A 55 THR HG2% A 55 THR HA 1.0 . 3.99 80 75 A 19 GLU HA A 20 ALA H 1.0 . 3.20 81 76 A 2 GLN HA A 19 GLU HA 1.0 . 3.54 82 77 A 19 GLU HA A 2 GLN HGy 1.0 . 4.93 83 78 A 20 ALA HA A 21 VAL H 1.0 . 3.14 84 79 A 20 ALA HA A 21 VAL HA 1.0 . 4.72 85 80 A 23 ALA HA A 24 ALA HA 1.0 . 4.84 86 81 A 23 ALA HA A 25 THR HB 1.0 . 5.50 87 82 A 23 ALA HA A 25 THR H 1.0 . 4.66 88 83 A 25 THR HA A 25 THR HG2% 1.0 . 3.75 89 84 A 25 THR HA A 28 LYS HBx 1.0 . 4.41 90 85 A 25 THR HA A 28 LYS HGy 1.0 . 5.27 91 86 A 25 THR HA A 24 ALA HB% 1.0 . 4.77 92 87 A 26 ALA HA A 27 GLU HA 1.0 . 4.89 93 88 A 26 ALA HA A 29 VAL HB 1.0 . 3.65 94 89 A 26 ALA HA A 29 VAL HGx% 1.0 . 4.79 95 90 A 26 ALA HA A 30 PHE H 1.0 . 5.33 96 91 A 26 ALA HA A 29 VAL H 1.0 . 4.14 97 92 A 26 ALA HA A 29 VAL HGy% 1.0 . 4.83 98 93 A 27 GLU HA A 30 PHE HBx 1.0 . 4.20 99 94 A 28 LYS HA A 31 LYS H 1.0 . 4.76 100 95 A 28 LYS HA A 32 GLN HB2 1.0 . 4.64 101 95 A 28 LYS HA A 32 GLN HB3 1.0 . 4.64 102 96 A 28 LYS HGy A 28 LYS HA 1.0 . 4.24 103 97 A 29 VAL HA A 32 GLN HG2 1.0 . 5.50 104 97 A 29 VAL HA A 32 GLN HG3 1.0 . 5.50 105 98 A 29 VAL HA A 32 GLN HB2 1.0 . 4.70 106 98 A 32 GLN HB3 A 29 VAL HA 1.0 . 4.70 107 99 A 28 LYS HBx A 29 VAL HA 1.0 . 5.50 108 100 A 29 VAL HA A 33 TYR H 1.0 . 5.50 109 101 A 29 VAL HGx% A 29 VAL HA 1.0 . 3.77 110 102 A 29 VAL HGy% A 29 VAL HA 1.0 . 3.95 111 103 A 29 VAL HA A 28 LYS HBy 1.0 . 4.63 112 104 A 41 GLY HAx A 56 GLU HA 1.0 . 4.12 113 105 A 55 THR HG2% A 56 GLU HA 1.0 . 5.50 114 106 A 35 ASN HA A 38 GLY HAy 1.0 . 4.36 115 107 A 49 THR HA A 49 THR HG2% 1.0 . 3.61 116 108 A 31 LYS HA A 31 LYS HEx 1.0 . 4.90 117 109 A 31 LYS HA A 43 TRP HH2 1.0 . 4.28 118 110 A 31 LYS HA A 34 ALA HB% 1.0 . 4.77 119 111 A 31 LYS HA A 43 TRP HZ2 1.0 . 4.12 120 112 A 49 THR HA A 51 THR H 1.0 . 4.93 121 113 A 33 TYR HA A 36 ASP HBy 1.0 . 4.27 122 114 A 33 TYR HA A 36 ASP HBx 1.0 . 5.09 123 115 A 39 VAL HA A 40 ASP H 1.0 . 2.96 124 116 A 39 VAL HA A 40 ASP HBy 1.0 . 4.45 125 117 A 39 VAL HA A 39 VAL HGx% 1.0 . 4.20 126 118 A 33 TYR HA A 32 GLN HE22 1.0 . 4.69 127 119 A 34 ALA HA A 39 VAL HGy% 1.0 . 4.76 128 120 A 34 ALA HA A 39 VAL H 1.0 . 4.64 129 121 A 43 TRP HH2 A 30 PHE HA 1.0 . 4.91 130 122 A 5 LEU HDy% A 30 PHE HA 1.0 . 5.40 131 123 A 29 VAL HGy% A 30 PHE HA 1.0 . 5.49 132 124 A 29 VAL HGx% A 30 PHE HA 1.0 . 5.50 133 125 A 5 LEU HDx% A 30 PHE HA 1.0 . 5.50 134 126 A 32 GLN HE22 A 30 PHE HA 1.0 . 5.50 135 127 A 36 ASP HA A 35 ASN HB2 1.0 . 5.37 136 127 A 35 ASN HB3 A 36 ASP HA 1.0 . 5.37 137 128 A 36 ASP HA A 35 ASN HD21 1.0 . 4.64 138 129 A 49 THR H A 50 LYS HA 1.0 . 4.40 139 130 A 50 LYS HA A 50 LYS HD2 1.0 . 4.44 140 130 A 50 LYS HA A 50 LYS HD3 1.0 . 4.44 141 131 A 40 ASP HA A 41 GLY H 1.0 . 2.98 142 132 A 56 GLU HA A 41 GLY HAy 1.0 . 4.26 143 133 A 41 GLY HAx A 54 VAL HGx% 1.0 . 5.17 144 134 A 43 TRP HA A 53 THR H 1.0 . 4.35 145 135 A 43 TRP HA A 44 THR HG2% 1.0 . 5.23 146 136 A 43 TRP HA A 44 THR H 1.0 . 3.45 147 137 A 43 TRP HA A 54 VAL HA 1.0 . 4.00 148 138 A 45 TYR HA A 52 PHE HA 1.0 . 3.90 149 139 A 49 THR HG2% A 48 ALA HA 1.0 . 4.55 150 140 A 4 LYS H A 51 THR HA 1.0 . 4.05 151 141 A 51 THR HA A 51 THR HG2% 1.0 . 4.20 152 142 A 51 THR HA A 52 PHE H 1.0 . 3.44 153 143 A 51 THR HA A 50 LYS HBx 1.0 . 4.65 154 144 A 51 THR H A 52 PHE HA 1.0 . 5.50 155 145 A 54 VAL HGy% A 53 THR HA 1.0 . 5.50 156 146 A 5 LEU HDx% A 53 THR HA 1.0 . 5.50 157 147 A 5 LEU HDy% A 53 THR HA 1.0 . 5.50 158 148 A 6 ILE H A 53 THR HA 1.0 . 3.86 159 149 A 54 VAL H A 53 THR HA 1.0 . 3.41 160 150 A 6 ILE HB A 53 THR HA 1.0 . 4.20 161 151 A 6 ILE HA A 53 THR HA 1.0 . 5.04 162 152 A 44 THR H A 54 VAL HA 1.0 . 4.68 163 153 A 54 VAL HA A 42 GLU H 1.0 . 4.50 164 154 A 54 VAL HA A 55 THR H 1.0 . 3.43 165 155 A 54 VAL HGx% A 54 VAL HA 1.0 . 4.23 166 156 A 54 VAL HA A 53 THR HA 1.0 . 4.57 167 157 A 2 GLN HA A 1 MET HG2 1.0 . 5.50 168 157 A 2 GLN HA A 1 MET HG3 1.0 . 5.50 169 158 A 12 LEU HA A 11 THR H 1.0 . 5.04 170 159 A 18 THR HA A 19 GLU HA 1.0 . 4.38 171 160 A 2 GLN HBy A 19 GLU HA 1.0 . 4.18 172 161 A 19 GLU HA A 2 GLN HBx 1.0 . 4.78 173 162 A 23 ALA HA A 26 ALA H 1.0 . 3.88 174 163 A 23 ALA HA A 26 ALA HB% 1.0 . 3.77 175 164 A 28 LYS HA A 31 LYS HBx 1.0 . 4.59 176 165 A 32 GLN HA A 31 LYS HBy 1.0 . 4.47 177 166 A 32 GLN HA A 34 ALA HB% 1.0 . 5.19 178 167 A 32 GLN HA A 31 LYS HEy 1.0 . 5.50 179 168 A 32 GLN HA A 31 LYS HEx 1.0 . 5.00 180 169 A 32 GLN HA A 31 LYS HBx 1.0 . 5.50 181 170 A 32 GLN HA A 35 ASN HD21 1.0 . 4.82 182 171 A 36 ASP HA A 38 GLY H 1.0 . 4.09 183 172 A 40 ASP HA A 39 VAL HGx% 1.0 . 5.50 184 173 A 4 LYS HA A 16 THR H 1.0 . 5.40 185 174 A 20 ALA HA A 21 VAL HGx% 1.0 . 4.93 186 175 A 20 ALA HA A 21 VAL HGy% 1.0 . 5.50 187 176 A 50 LYS HA A 50 LYS HEx 1.0 . 4.89 188 177 A 6 ILE HD1% A 53 THR HA 1.0 . 5.50 189 178 A 6 ILE HG2% A 53 THR HA 1.0 . 5.50 190 179 A 47 ASP HA A 50 LYS HGx 1.0 . 4.68 191 180 A 26 ALA HA A 20 ALA HB% 1.0 . 4.39 192 181 A 25 THR HG2% A 26 ALA HA 1.0 . 5.50 193 182 A 12 LEU H A 11 THR HB 1.0 . 4.72 194 183 A 17 THR HA A 18 THR HB 1.0 . 4.56 195 184 A 21 VAL H A 25 THR HB 1.0 . 4.90 196 185 A 25 THR HB A 27 GLU H 1.0 . 5.50 197 186 A 25 THR HB A 25 THR H 1.0 . 3.57 198 187 A 25 THR HB A 26 ALA H 1.0 . 3.53 199 188 A 44 THR HB A 45 TYR H 1.0 . 3.93 200 189 A 53 THR H A 44 THR HB 1.0 . 4.50 201 190 A 51 THR H A 51 THR HB 1.0 . 3.71 202 191 A 51 THR HB A 49 THR HB 1.0 . 4.01 203 192 A 55 THR H A 55 THR HB 1.0 . 3.84 204 193 A 6 ILE HB A 53 THR HB 1.0 . 4.93 205 194 A 54 VAL H A 53 THR HB 1.0 . 4.76 206 195 A 5 LEU HBy A 16 THR HB 1.0 . 4.42 207 196 A 5 LEU HDx% A 16 THR HB 1.0 . 5.13 208 197 A 5 LEU HDy% A 16 THR HB 1.0 . 5.50 209 198 A 29 VAL HGy% A 18 THR HB 1.0 . 5.14 210 199 A 29 VAL HGx% A 18 THR HB 1.0 . 5.01 211 200 A 44 THR HG2% A 53 THR HB 1.0 . 5.50 212 201 A 17 THR HB A 18 THR H 1.0 . 4.12 213 202 A 24 ALA HB% A 26 ALA H 1.0 . 5.50 214 203 A 23 ALA HB% A 26 ALA H 1.0 . 5.50 215 204 A 26 ALA HB% A 20 ALA HB% 1.0 . 4.86 216 205 A 26 ALA HB% A 28 LYS H 1.0 . 4.76 217 206 A 34 ALA HB% A 39 VAL HGx% 1.0 . 5.50 218 207 A 49 THR HG2% A 48 ALA HB% 1.0 . 4.75 219 208 A 11 THR HG2% A 10 LYS HG2 1.0 . 4.76 220 208 A 10 LYS HG3 A 11 THR HG2% 1.0 . 4.76 221 209 A 49 THR H A 51 THR HG2% 1.0 . 5.22 222 210 A 17 THR HG2% A 18 THR HG2% 1.0 . 5.50 223 211 A 26 ALA HA A 18 THR HG2% 1.0 . 5.13 224 212 A 30 PHE HBx A 18 THR HG2% 1.0 . 5.50 225 213 A 29 VAL HGy% A 18 THR HG2% 1.0 . 5.34 226 214 A 29 VAL HGx% A 18 THR HG2% 1.0 . 5.50 227 215 A 55 THR HG2% A 8 ASN HBx 1.0 . 5.11 228 216 A 55 THR HG2% A 42 GLU HBx 1.0 . 4.93 229 217 A 25 THR HG2% A 28 LYS HDy 1.0 . 5.43 230 218 A 25 THR HG2% A 29 VAL HB 1.0 . 5.43 231 219 A 25 THR HG2% A 28 LYS HGy 1.0 . 5.50 232 220 A 55 THR HG2% A 8 ASN HBy 1.0 . 4.96 233 221 A 44 THR H A 53 THR HG2% 1.0 . 5.50 234 222 A 55 THR HG2% A 56 GLU HG2 1.0 . 5.50 235 222 A 55 THR HG2% A 56 GLU HG3 1.0 . 5.50 236 223 A 55 THR HG2% A 42 GLU HBy 1.0 . 5.50 237 224 A 39 VAL HGx% A 54 VAL HGx% 1.0 . 5.10 238 225 A 25 THR HB A 20 ALA HB% 1.0 . 5.05 239 226 A 20 ALA HB% A 18 THR HG2% 1.0 . 5.21 240 227 A 44 THR HG2% A 45 TYR HA 1.0 . 5.02 241 228 A 11 THR HG2% A 12 LEU HG 1.0 . 4.50 242 229 A 22 ASP HBy A 23 ALA H 1.0 . 4.01 243 230 A 8 ASN HD21 A 13 LYS HEx 1.0 . 4.31 244 231 A 13 LYS HEx A 13 LYS HBy 1.0 . 5.50 245 232 A 50 LYS HBx A 50 LYS HEx 1.0 . 5.50 246 233 A 8 ASN HA A 13 LYS HEx 1.0 . 4.93 247 234 A 5 LEU HDy% A 52 PHE HBx 1.0 . 5.44 248 235 A 5 LEU HDx% A 52 PHE HBx 1.0 . 5.50 249 236 A 43 TRP HE3 A 52 PHE HBy 1.0 . 4.87 250 237 A 5 LEU HA A 52 PHE HBy 1.0 . 4.64 251 238 A 5 LEU HDy% A 52 PHE HBy 1.0 . 5.47 252 239 A 5 LEU HDx% A 52 PHE HBy 1.0 . 5.50 253 240 A 53 THR HA A 52 PHE HBx 1.0 . 4.70 254 241 A 49 THR H A 50 LYS HEx 1.0 . 5.44 255 242 A 52 PHE HBx A 43 TRP HE3 1.0 . 4.84 256 243 A 50 LYS H A 50 LYS HEy 1.0 . 5.50 257 244 A 53 THR H A 52 PHE HBx 1.0 . 4.67 258 245 A 13 LYS HEy A 8 ASN HD21 1.0 . 4.69 259 246 A 13 LYS HA A 7 LEU HBx 1.0 . 4.91 260 247 A 13 LYS HA A 12 LEU HBx 1.0 . 5.05 261 248 A 18 THR HG2% A 3 TYR HBx 1.0 . 5.23 262 249 A 8 ASN HD21 A 10 LYS HEx 1.0 . 4.99 263 250 A 8 ASN HD21 A 10 LYS HEy 1.0 . 5.10 264 251 A 56 GLU H A 10 LYS HEx 1.0 . 4.86 265 252 A 28 LYS HBy A 28 LYS HE2 1.0 . 4.42 266 252 A 28 LYS HBy A 28 LYS HE3 1.0 . 4.42 267 253 A 39 VAL HA A 40 ASP HBx 1.0 . 4.90 268 254 A 36 ASP HBy A 37 ASN HBy 1.0 . 4.58 269 255 A 50 LYS HA A 46 ASP HBy 1.0 . 5.18 270 256 A 48 ALA HA A 47 ASP HBy 1.0 . 5.38 271 257 A 49 THR HG2% A 46 ASP HBx 1.0 . 5.21 272 258 A 51 THR HG2% A 46 ASP HBx 1.0 . 5.50 273 259 A 51 THR HG2% A 46 ASP HBy 1.0 . 5.13 274 260 A 49 THR HG2% A 46 ASP HBy 1.0 . 5.50 275 261 A 13 LYS HA A 13 LYS HEx 1.0 . 4.91 276 262 A 13 LYS HEy A 13 LYS HA 1.0 . 4.51 277 263 A 51 THR HB A 46 ASP HBy 1.0 . 4.70 278 264 A 47 ASP HA A 50 LYS HEx 1.0 . 4.84 279 265 A 49 THR HA A 50 LYS HEx 1.0 . 5.50 280 266 A 6 ILE HB A 53 THR H 1.0 . 5.50 281 267 A 6 ILE HB A 6 ILE H 1.0 . 4.00 282 268 A 6 ILE HB A 53 THR HG2% 1.0 . 4.54 283 269 A 55 THR HA A 56 GLU HG2 1.0 . 4.78 284 269 A 55 THR HA A 56 GLU HG3 1.0 . 4.78 285 270 A 41 GLY HAy A 56 GLU HG2 1.0 . 5.50 286 270 A 41 GLY HAy A 56 GLU HG3 1.0 . 5.50 287 271 A 56 GLU HA A 56 GLU HG2 1.0 . 4.05 288 271 A 56 GLU HA A 56 GLU HG3 1.0 . 4.05 289 272 A 40 ASP H A 56 GLU HG2 1.0 . 4.78 290 272 A 40 ASP H A 56 GLU HG3 1.0 . 4.78 291 273 A 9 GLY HAx A 56 GLU HG2 1.0 . 4.68 292 273 A 56 GLU HG3 A 9 GLY HAx 1.0 . 4.68 293 274 A 13 LYS HDy A 13 LYS HBy 1.0 . 4.20 294 275 A 9 GLY HAy A 56 GLU HG2 1.0 . 4.99 295 275 A 9 GLY HAy A 56 GLU HG3 1.0 . 4.99 296 276 A 39 VAL HGx% A 56 GLU HG2 1.0 . 5.05 297 276 A 39 VAL HGx% A 56 GLU HG3 1.0 . 5.05 298 277 A 30 PHE HBy A 43 TRP HZ3 1.0 . 5.50 299 278 A 5 LEU HDx% A 30 PHE HBy 1.0 . 5.50 300 279 A 30 PHE HA A 33 TYR HBx 1.0 . 5.35 301 280 A 8 ASN HBx A 13 LYS HEx 1.0 . 5.15 302 281 A 13 LYS HEy A 8 ASN HBx 1.0 . 5.50 303 282 A 17 THR HG2% A 4 LYS HBx 1.0 . 4.65 304 283 A 56 GLU HBx A 55 THR HA 1.0 . 5.50 305 284 A 56 GLU HBx A 41 GLY HAy 1.0 . 5.50 306 285 A 10 LYS HEy A 10 LYS HB2 1.0 . 5.37 307 285 A 10 LYS HEy A 10 LYS HB3 1.0 . 5.37 308 286 A 28 LYS HBx A 28 LYS HE2 1.0 . 5.50 309 286 A 28 LYS HBx A 28 LYS HE3 1.0 . 5.50 310 287 A 31 LYS HBx A 27 GLU HG2 1.0 . 4.02 311 287 A 31 LYS HBx A 27 GLU HG3 1.0 . 4.02 312 288 A 5 LEU HBy A 15 GLU HG2 1.0 . 5.05 313 288 A 15 GLU HG3 A 5 LEU HBy 1.0 . 5.05 314 289 A 17 THR HG2% A 15 GLU HG2 1.0 . 5.50 315 289 A 17 THR HG2% A 15 GLU HG3 1.0 . 5.50 316 290 A 32 GLN HG2 A 35 ASN HB2 1.0 . 5.16 317 290 A 35 ASN HB3 A 32 GLN HG2 1.0 . 5.16 318 290 A 35 ASN HB3 A 32 GLN HG3 1.0 . 5.16 319 290 A 32 GLN HG3 A 35 ASN HB2 1.0 . 5.16 320 291 A 36 ASP HBy A 32 GLN HG2 1.0 . 5.50 321 291 A 32 GLN HG3 A 36 ASP HBy 1.0 . 5.50 322 292 A 56 GLU HBx A 40 ASP HBx 1.0 . 4.74 323 293 A 9 GLY HAy A 56 GLU HBy 1.0 . 4.89 324 294 A 56 GLU HBy A 10 LYS H 1.0 . 4.77 325 295 A 56 GLU HBx A 10 LYS H 1.0 . 4.58 326 296 A 56 GLU HBy A 10 LYS HG2 1.0 . 4.43 327 296 A 10 LYS HG3 A 56 GLU HBy 1.0 . 4.43 328 297 A 56 GLU HBx A 10 LYS HG2 1.0 . 4.09 329 297 A 56 GLU HBx A 10 LYS HG3 1.0 . 4.09 330 298 A 44 THR H A 43 TRP HBy 1.0 . 4.84 331 299 A 43 TRP HBx A 44 THR H 1.0 . 4.96 332 300 A 4 LYS HBx A 15 GLU HG2 1.0 . 5.02 333 300 A 15 GLU HG3 A 4 LYS HBx 1.0 . 5.02 334 301 A 4 LYS HBy A 15 GLU HG2 1.0 . 5.50 335 301 A 4 LYS HBy A 15 GLU HG3 1.0 . 5.50 336 302 A 5 LEU HBy A 7 LEU HDx% 1.0 . 5.06 337 303 A 7 LEU HDy% A 5 LEU HBy 1.0 . 5.19 338 304 A 39 VAL HGx% A 54 VAL HB 1.0 . 5.14 339 305 A 7 LEU HDy% A 54 VAL HB 1.0 . 5.50 340 306 A 29 VAL HB A 30 PHE H 1.0 . 3.59 341 307 A 29 VAL HB A 29 VAL H 1.0 . 3.44 342 308 A 29 VAL HB A 18 THR HG2% 1.0 . 4.69 343 309 A 35 ASN HA A 39 VAL HB 1.0 . 4.79 344 310 A 34 ALA HA A 39 VAL HB 1.0 . 4.28 345 311 A 28 LYS HA A 31 LYS HBy 1.0 . 4.71 346 312 A 39 VAL H A 39 VAL HB 1.0 . 3.50 347 313 A 55 THR HB A 42 GLU HBx 1.0 . 4.67 348 314 A 11 THR HG2% A 10 LYS HB2 1.0 . 5.37 349 314 A 11 THR HG2% A 10 LYS HB3 1.0 . 5.37 350 315 A 11 THR HA A 10 LYS HB2 1.0 . 4.76 351 315 A 11 THR HA A 10 LYS HB3 1.0 . 4.76 352 316 A 10 LYS HA A 10 LYS HD2 1.0 . 4.67 353 316 A 10 LYS HA A 10 LYS HD3 1.0 . 4.67 354 317 A 6 ILE HD1% A 4 LYS HDy 1.0 . 5.07 355 318 A 28 LYS H A 27 GLU HBy 1.0 . 4.85 356 319 A 13 LYS HDx A 8 ASN HD21 1.0 . 5.00 357 320 A 25 THR HA A 28 LYS HDy 1.0 . 5.19 358 321 A 28 LYS HA A 28 LYS HDy 1.0 . 5.24 359 322 A 28 LYS HA A 28 LYS HDx 1.0 . 5.47 360 323 A 16 THR H A 7 LEU HDx% 1.0 . 5.50 361 324 A 2 GLN H A 1 MET HG2 1.0 . 5.20 362 324 A 1 MET HG3 A 2 GLN H 1.0 . 5.20 363 325 A 51 THR H A 50 LYS HD2 1.0 . 4.59 364 325 A 51 THR H A 50 LYS HD3 1.0 . 4.59 365 326 A 50 LYS H A 50 LYS HD2 1.0 . 4.63 366 326 A 50 LYS HD3 A 50 LYS H 1.0 . 4.63 367 327 A 49 THR HA A 50 LYS HD2 1.0 . 5.50 368 327 A 49 THR HA A 50 LYS HD3 1.0 . 5.50 369 328 A 5 LEU HDy% A 30 PHE HBy 1.0 . 5.15 370 329 A 10 LYS HG3 A 56 GLU HG2 1.0 . 5.50 371 329 A 56 GLU HG3 A 10 LYS HG2 1.0 . 5.50 372 329 A 10 LYS HG3 A 56 GLU HG3 1.0 . 5.50 373 329 A 10 LYS HG2 A 56 GLU HG2 1.0 . 5.50 374 330 A 6 ILE HG1x A 15 GLU HG2 1.0 . 4.97 375 330 A 6 ILE HG1x A 15 GLU HG3 1.0 . 4.97 376 331 A 5 LEU H A 5 LEU HG 1.0 . 5.50 377 332 A 17 THR HG2% A 4 LYS HG2 1.0 . 4.56 378 332 A 17 THR HG2% A 4 LYS HG3 1.0 . 4.56 379 333 A 5 LEU H A 4 LYS HG2 1.0 . 5.33 380 333 A 5 LEU H A 4 LYS HG3 1.0 . 5.33 381 334 A 11 THR HG2% A 12 LEU HDx% 1.0 . 4.94 382 335 A 8 ASN HD21 A 10 LYS HD2 1.0 . 5.43 383 335 A 8 ASN HD21 A 10 LYS HD3 1.0 . 5.43 384 336 A 56 GLU H A 10 LYS HD2 1.0 . 5.27 385 336 A 56 GLU H A 10 LYS HD3 1.0 . 5.27 386 337 A 1 MET HE% A 1 MET HB2 1.0 . 3.35 387 337 A 1 MET HE% A 1 MET HB3 1.0 . 3.35 388 338 A 29 VAL H A 28 LYS HGx 1.0 . 5.48 389 339 A 28 LYS HGy A 29 VAL H 1.0 . 5.50 390 340 A 8 ASN HA A 13 LYS HGy 1.0 . 4.85 391 341 A 12 LEU HA A 13 LYS HGy 1.0 . 5.50 392 342 A 12 LEU HA A 13 LYS HGx 1.0 . 5.50 393 343 A 6 ILE HG2% A 53 THR HG2% 1.0 . 5.50 394 344 A 34 ALA HB% A 39 VAL HGy% 1.0 . 5.50 395 345 A 3 TYR H A 20 ALA H 1.0 . 4.37 396 346 A 20 ALA H A 18 THR HG2% 1.0 . 5.03 397 347 A 20 ALA H A 26 ALA HB% 1.0 . 5.50 398 348 A 2 GLN HBy A 20 ALA H 1.0 . 4.46 399 349 A 20 ALA H A 1 MET HB2 1.0 . 5.36 400 349 A 20 ALA H A 1 MET HB3 1.0 . 5.36 401 350 A 20 ALA H A 1 MET HG2 1.0 . 5.50 402 350 A 20 ALA H A 1 MET HG3 1.0 . 5.50 403 351 A 2 GLN HA A 20 ALA H 1.0 . 3.89 404 352 A 23 ALA H A 24 ALA H 1.0 . 4.61 405 353 A 23 ALA HB% A 23 ALA H 1.0 . 3.91 406 354 A 4 LYS H A 4 LYS HG2 1.0 . 4.27 407 354 A 4 LYS H A 4 LYS HG3 1.0 . 4.27 408 355 A 25 THR H A 24 ALA H 1.0 . 4.19 409 356 A 22 ASP HBy A 24 ALA H 1.0 . 4.17 410 357 A 24 ALA HB% A 24 ALA H 1.0 . 3.34 411 358 A 26 ALA H A 26 ALA HB% 1.0 . 3.91 412 359 A 26 ALA H A 20 ALA HB% 1.0 . 4.02 413 360 A 26 ALA H A 28 LYS H 1.0 . 4.28 414 361 A 26 ALA H A 27 GLU H 1.0 . 4.51 415 362 A 34 ALA H A 35 ASN H 1.0 . 4.37 416 363 A 31 LYS HA A 34 ALA H 1.0 . 4.82 417 364 A 34 ALA HB% A 34 ALA H 1.0 . 3.89 418 365 A 35 ASN H A 36 ASP H 1.0 . 4.07 419 366 A 32 GLN HA A 36 ASP H 1.0 . 4.31 420 367 A 36 ASP HBx A 36 ASP H 1.0 . 3.88 421 368 A 36 ASP H A 35 ASN HB2 1.0 . 3.92 422 368 A 35 ASN HB3 A 36 ASP H 1.0 . 3.92 423 369 A 36 ASP H A 37 ASN H 1.0 . 4.23 424 370 A 40 ASP H A 54 VAL HGx% 1.0 . 4.92 425 371 A 40 ASP H A 39 VAL HGx% 1.0 . 4.13 426 372 A 40 ASP H A 39 VAL HB 1.0 . 4.35 427 373 A 40 ASP H A 40 ASP HBx 1.0 . 3.74 428 374 A 40 ASP H A 40 ASP HBy 1.0 . 3.68 429 375 A 45 TYR HBx A 46 ASP H 1.0 . 4.59 430 376 A 46 ASP HBy A 46 ASP H 1.0 . 4.19 431 377 A 51 THR HG2% A 46 ASP H 1.0 . 5.12 432 378 A 44 THR HG2% A 46 ASP H 1.0 . 5.24 433 379 A 52 PHE HA A 46 ASP H 1.0 . 4.49 434 380 A 18 THR HG2% A 19 GLU H 1.0 . 4.35 435 381 A 2 GLN HBx A 19 GLU H 1.0 . 5.34 436 382 A 2 GLN HBy A 19 GLU H 1.0 . 5.50 437 383 A 18 THR HB A 19 GLU H 1.0 . 4.10 438 384 A 18 THR HA A 19 GLU H 1.0 . 3.42 439 385 A 23 ALA HA A 27 GLU H 1.0 . 4.37 440 386 A 26 ALA HB% A 27 GLU H 1.0 . 4.27 441 387 A 23 ALA HB% A 27 GLU H 1.0 . 4.62 442 388 A 24 ALA HB% A 27 GLU H 1.0 . 4.91 443 389 A 20 ALA HB% A 27 GLU H 1.0 . 4.93 444 390 A 27 GLU H A 28 LYS H 1.0 . 4.17 445 391 A 42 GLU H A 55 THR HB 1.0 . 4.46 446 392 A 42 GLU H A 55 THR H 1.0 . 4.24 447 393 A 54 VAL HGx% A 42 GLU H 1.0 . 4.47 448 394 A 55 THR HG2% A 56 GLU H 1.0 . 4.80 449 395 A 56 GLU HBx A 56 GLU H 1.0 . 4.16 450 396 A 56 GLU H A 9 GLY HAx 1.0 . 4.19 451 397 A 30 PHE H A 18 THR HG2% 1.0 . 4.80 452 398 A 30 PHE H A 29 VAL HGy% 1.0 . 4.16 453 399 A 29 VAL HGx% A 30 PHE H 1.0 . 4.07 454 400 A 49 THR H A 48 ALA H 1.0 . 4.11 455 401 A 30 PHE H A 29 VAL H 1.0 . 4.30 456 402 A 30 PHE H A 31 LYS H 1.0 . 4.33 457 403 A 7 LEU HDx% A 14 GLY H 1.0 . 4.55 458 404 A 6 ILE HG2% A 14 GLY H 1.0 . 5.30 459 405 A 14 GLY H A 7 LEU HBy 1.0 . 4.52 460 406 A 14 GLY H A 13 LYS HBx 1.0 . 4.80 461 407 A 13 LYS HGy A 14 GLY H 1.0 . 5.44 462 408 A 13 LYS HDy A 14 GLY H 1.0 . 4.66 463 409 A 13 LYS H A 14 GLY H 1.0 . 4.86 464 410 A 14 GLY H A 15 GLU H 1.0 . 4.91 465 411 A 38 GLY H A 37 ASN HBy 1.0 . 4.38 466 412 A 38 GLY H A 37 ASN H 1.0 . 4.14 467 413 A 38 GLY H A 37 ASN HBx 1.0 . 4.35 468 414 A 38 GLY H A 39 VAL HB 1.0 . 5.41 469 415 A 41 GLY H A 54 VAL HGx% 1.0 . 4.85 470 416 A 41 GLY H A 40 ASP HBx 1.0 . 3.83 471 417 A 40 ASP HBy A 41 GLY H 1.0 . 4.17 472 418 A 38 GLY H A 35 ASN HB2 1.0 . 4.96 473 418 A 35 ASN HB3 A 38 GLY H 1.0 . 4.96 474 419 A 13 LYS HDy A 9 GLY H 1.0 . 4.37 475 420 A 13 LYS HDx A 9 GLY H 1.0 . 4.47 476 421 A 9 GLY H A 13 LYS HGy 1.0 . 5.13 477 422 A 13 LYS HGx A 9 GLY H 1.0 . 4.28 478 423 A 12 LEU HDx% A 9 GLY H 1.0 . 5.10 479 424 A 7 LEU HDy% A 9 GLY H 1.0 . 5.50 480 425 A 7 LEU HDx% A 9 GLY H 1.0 . 5.50 481 426 A 9 GLY H A 8 ASN HBx 1.0 . 4.72 482 427 A 9 GLY H A 56 GLU HG2 1.0 . 5.50 483 427 A 9 GLY H A 56 GLU HG3 1.0 . 5.50 484 428 A 13 LYS HEy A 9 GLY H 1.0 . 5.13 485 429 A 9 GLY H A 8 ASN HBy 1.0 . 5.29 486 430 A 13 LYS HA A 9 GLY H 1.0 . 4.44 487 431 A 9 GLY H A 8 ASN HD21 1.0 . 4.74 488 432 A 12 LEU H A 9 GLY H 1.0 . 5.35 489 433 A 5 LEU HDx% A 6 ILE H 1.0 . 4.67 490 434 A 6 ILE H A 5 LEU HDy% 1.0 . 4.94 491 435 A 6 ILE H A 6 ILE HD1% 1.0 . 4.25 492 436 A 6 ILE H A 6 ILE HG2% 1.0 . 5.30 493 437 A 6 ILE H A 5 LEU HG 1.0 . 5.10 494 438 A 6 ILE H A 5 LEU HBy 1.0 . 4.02 495 439 A 6 ILE H A 6 ILE HG1x 1.0 . 4.32 496 440 A 6 ILE H A 53 THR HG2% 1.0 . 5.50 497 441 A 6 ILE H A 6 ILE HG1y 1.0 . 4.53 498 442 A 5 LEU H A 6 ILE H 1.0 . 4.81 499 443 A 6 ILE H A 7 LEU H 1.0 . 5.08 500 444 A 13 LYS H A 12 LEU H 1.0 . 4.57 501 445 A 29 VAL HGy% A 28 LYS H 1.0 . 4.85 502 446 A 28 LYS H A 28 LYS HGx 1.0 . 4.26 503 447 A 28 LYS HGy A 28 LYS H 1.0 . 4.45 504 448 A 28 LYS HBx A 28 LYS H 1.0 . 4.01 505 449 A 28 LYS H A 27 GLU HG2 1.0 . 5.10 506 449 A 28 LYS H A 27 GLU HG3 1.0 . 5.10 507 450 A 28 LYS H A 28 LYS HE2 1.0 . 5.50 508 450 A 28 LYS H A 28 LYS HE3 1.0 . 5.50 509 451 A 12 LEU H A 11 THR HG2% 1.0 . 4.40 510 452 A 12 LEU HDy% A 12 LEU H 1.0 . 4.93 511 453 A 12 LEU H A 12 LEU HDx% 1.0 . 4.52 512 454 A 12 LEU H A 12 LEU HBy 1.0 . 4.14 513 455 A 12 LEU H A 10 LYS HB2 1.0 . 4.84 514 455 A 12 LEU H A 10 LYS HB3 1.0 . 4.84 515 456 A 12 LEU H A 13 LYS HDy 1.0 . 5.50 516 457 A 12 LEU H A 9 GLY HAx 1.0 . 4.35 517 458 A 12 LEU H A 11 THR H 1.0 . 3.90 518 459 A 48 ALA HB% A 48 ALA H 1.0 . 3.61 519 460 A 46 ASP HA A 48 ALA H 1.0 . 3.65 520 461 A 50 LYS H A 48 ALA H 1.0 . 4.34 521 462 A 8 ASN H A 9 GLY H 1.0 . 4.73 522 463 A 8 ASN H A 56 GLU H 1.0 . 4.67 523 464 A 8 ASN H A 8 ASN HD21 1.0 . 5.50 524 465 A 8 ASN H A 55 THR HA 1.0 . 4.21 525 466 A 8 ASN H A 7 LEU HBy 1.0 . 4.38 526 467 A 8 ASN H A 54 VAL HGy% 1.0 . 4.14 527 468 A 8 ASN H A 7 LEU HDy% 1.0 . 4.24 528 469 A 8 ASN H A 55 THR HG2% 1.0 . 4.68 529 470 A 2 GLN HBx A 2 GLN H 1.0 . 3.68 530 471 A 2 GLN HGx A 2 GLN H 1.0 . 3.93 531 472 A 2 GLN H A 1 MET HB2 1.0 . 4.32 532 472 A 2 GLN H A 1 MET HB3 1.0 . 4.32 533 473 A 29 VAL HGx% A 32 GLN H 1.0 . 5.23 534 474 A 32 GLN H A 31 LYS HGy 1.0 . 4.91 535 475 A 29 VAL HGy% A 32 GLN H 1.0 . 5.50 536 476 A 32 GLN H A 32 GLN HB2 1.0 . 4.10 537 476 A 32 GLN HB3 A 32 GLN H 1.0 . 4.10 538 477 A 12 LEU HDx% A 11 THR H 1.0 . 4.65 539 478 A 11 THR HG2% A 11 THR H 1.0 . 4.00 540 479 A 11 THR H A 10 LYS HG2 1.0 . 4.24 541 479 A 10 LYS HG3 A 11 THR H 1.0 . 4.24 542 480 A 11 THR H A 10 LYS HB2 1.0 . 3.87 543 480 A 11 THR H A 10 LYS HB3 1.0 . 3.87 544 481 A 11 THR H A 9 GLY HAx 1.0 . 5.18 545 482 A 6 ILE HA A 16 THR H 1.0 . 5.35 546 483 A 17 THR H A 18 THR H 1.0 . 4.65 547 484 A 5 LEU H A 17 THR H 1.0 . 5.50 548 485 A 17 THR H A 16 THR H 1.0 . 4.42 549 486 A 17 THR H A 16 THR HG2% 1.0 . 4.51 550 487 A 17 THR HG2% A 17 THR H 1.0 . 4.36 551 488 A 17 THR H A 16 THR HB 1.0 . 4.02 552 489 A 18 THR H A 18 THR HG2% 1.0 . 4.33 553 490 A 17 THR HG2% A 18 THR H 1.0 . 4.34 554 491 A 2 GLN HBy A 18 THR H 1.0 . 4.47 555 492 A 4 LYS HA A 18 THR H 1.0 . 4.49 556 493 A 2 GLN HE22 A 18 THR H 1.0 . 4.82 557 494 A 35 ASN H A 35 ASN HB2 1.0 . 3.60 558 494 A 35 ASN HB3 A 35 ASN H 1.0 . 3.60 559 495 A 25 THR H A 22 ASP HBy 1.0 . 4.38 560 496 A 25 THR H A 26 ALA H 1.0 . 4.19 561 497 A 25 THR H A 24 ALA HB% 1.0 . 3.64 562 498 A 25 THR H A 26 ALA HB% 1.0 . 4.70 563 499 A 44 THR HG2% A 44 THR H 1.0 . 4.49 564 500 A 49 THR H A 50 LYS HGx 1.0 . 4.54 565 501 A 49 THR HG2% A 49 THR H 1.0 . 3.83 566 502 A 49 THR H A 48 ALA HB% 1.0 . 3.82 567 503 A 49 THR H A 46 ASP HBy 1.0 . 4.43 568 504 A 51 THR H A 49 THR HB 1.0 . 5.42 569 505 A 51 THR H A 50 LYS HBy 1.0 . 4.58 570 506 A 51 THR H A 46 ASP HBx 1.0 . 5.41 571 507 A 51 THR H A 46 ASP HBy 1.0 . 4.18 572 508 A 51 THR H A 49 THR H 1.0 . 4.38 573 509 A 51 THR H A 50 LYS HGx 1.0 . 5.07 574 510 A 51 THR H A 51 THR HG2% 1.0 . 4.34 575 511 A 49 THR HG2% A 51 THR H 1.0 . 5.10 576 512 A 53 THR H A 44 THR H 1.0 . 4.34 577 513 A 53 THR H A 43 TRP HZ3 1.0 . 4.61 578 514 A 53 THR H A 52 PHE HBy 1.0 . 4.46 579 515 A 53 THR H A 44 THR HG2% 1.0 . 4.82 580 516 A 53 THR H A 53 THR HG2% 1.0 . 5.50 581 517 A 54 VAL HGx% A 55 THR H 1.0 . 4.24 582 518 A 55 THR HG2% A 55 THR H 1.0 . 4.25 583 519 A 55 THR H A 42 GLU HBx 1.0 . 4.33 584 520 A 40 ASP H A 39 VAL H 1.0 . 4.52 585 521 A 39 VAL H A 36 ASP H 1.0 . 5.50 586 522 A 35 ASN HA A 39 VAL H 1.0 . 4.14 587 523 A 39 VAL HGx% A 39 VAL H 1.0 . 4.64 588 524 A 39 VAL HGy% A 39 VAL H 1.0 . 4.10 589 525 A 8 ASN H A 54 VAL H 1.0 . 4.58 590 526 A 6 ILE H A 54 VAL H 1.0 . 5.47 591 527 A 6 ILE HB A 54 VAL H 1.0 . 4.52 592 528 A 54 VAL H A 53 THR HG2% 1.0 . 4.58 593 529 A 6 ILE HG2% A 54 VAL H 1.0 . 4.40 594 530 A 6 ILE HD1% A 54 VAL H 1.0 . 5.50 595 531 A 54 VAL H A 54 VAL HGx% 1.0 . 4.64 596 532 A 54 VAL HGy% A 54 VAL H 1.0 . 4.09 597 533 A 3 TYR H A 2 GLN HBy 1.0 . 4.03 598 534 A 3 TYR H A 2 GLN HE22 1.0 . 4.42 599 535 A 44 THR HG2% A 45 TYR H 1.0 . 4.18 600 536 A 5 LEU H A 16 THR H 1.0 . 3.93 601 537 A 5 LEU H A 17 THR HA 1.0 . 5.50 602 538 A 7 LEU H A 15 GLU HG2 1.0 . 4.79 603 538 A 7 LEU H A 15 GLU HG3 1.0 . 4.79 604 539 A 5 LEU H A 15 GLU HG2 1.0 . 5.50 605 539 A 5 LEU H A 15 GLU HG3 1.0 . 5.50 606 540 A 5 LEU H A 4 LYS HBx 1.0 . 4.46 607 541 A 6 ILE HB A 7 LEU H 1.0 . 4.71 608 542 A 4 LYS HBy A 5 LEU H 1.0 . 4.51 609 543 A 7 LEU H A 15 GLU HB2 1.0 . 4.84 610 543 A 7 LEU H A 15 GLU HB3 1.0 . 4.84 611 544 A 7 LEU H A 7 LEU HBy 1.0 . 4.01 612 545 A 7 LEU H A 7 LEU HG 1.0 . 4.15 613 546 A 5 LEU H A 5 LEU HBy 1.0 . 3.67 614 547 A 7 LEU H A 6 ILE HG2% 1.0 . 3.70 615 548 A 5 LEU H A 5 LEU HDx% 1.0 . 4.50 616 549 A 7 LEU H A 7 LEU HDx% 1.0 . 5.50 617 550 A 5 LEU H A 5 LEU HDy% 1.0 . 5.11 618 551 A 8 ASN H A 7 LEU HBx 1.0 . 4.13 619 552 A 8 ASN H A 6 ILE HG2% 1.0 . 4.66 620 553 A 55 THR HG2% A 8 ASN HD22 1.0 . 4.42 621 554 A 55 THR HG2% A 8 ASN HD21 1.0 . 4.61 622 555 A 7 LEU HBx A 9 GLY H 1.0 . 4.38 623 556 A 12 LEU HDy% A 11 THR H 1.0 . 5.26 624 557 A 13 LYS HGx A 12 LEU H 1.0 . 5.50 625 558 A 12 LEU H A 12 LEU HG 1.0 . 4.48 626 559 A 46 ASP HBx A 47 ASP H 1.0 . 4.52 627 560 A 13 LYS H A 12 LEU HBy 1.0 . 4.78 628 561 A 13 LYS HBy A 14 GLY H 1.0 . 4.42 629 562 A 13 LYS HGx A 14 GLY H 1.0 . 4.84 630 563 A 7 LEU HBx A 14 GLY H 1.0 . 4.18 631 564 A 15 GLU H A 15 GLU HB2 1.0 . 4.03 632 564 A 15 GLU H A 15 GLU HB3 1.0 . 4.03 633 565 A 20 ALA H A 2 GLN HBx 1.0 . 4.19 634 566 A 1 MET HE% A 20 ALA H 1.0 . 5.50 635 567 A 21 VAL H A 22 ASP H 1.0 . 4.25 636 568 A 39 VAL H A 37 ASN H 1.0 . 4.38 637 569 A 20 ALA HA A 22 ASP H 1.0 . 3.92 638 570 A 20 ALA HB% A 22 ASP H 1.0 . 3.87 639 571 A 22 ASP H A 21 VAL HB 1.0 . 4.24 640 572 A 25 THR HB A 22 ASP H 1.0 . 4.98 641 573 A 38 GLY HAy A 37 ASN H 1.0 . 5.31 642 574 A 37 ASN H A 37 ASN HD21 1.0 . 4.60 643 575 A 26 ALA HB% A 22 ASP H 1.0 . 4.55 644 576 A 34 ALA HA A 37 ASN H 1.0 . 3.99 645 577 A 37 ASN HBy A 37 ASN H 1.0 . 3.84 646 578 A 37 ASN H A 37 ASN HBx 1.0 . 3.93 647 579 A 39 VAL HGy% A 37 ASN H 1.0 . 4.49 648 580 A 35 ASN HA A 37 ASN H 1.0 . 4.12 649 581 A 36 ASP HBy A 37 ASN H 1.0 . 4.77 650 582 A 21 VAL HGx% A 22 ASP H 1.0 . 4.52 651 583 A 21 VAL HGy% A 22 ASP H 1.0 . 4.59 652 584 A 36 ASP HBx A 37 ASN H 1.0 . 4.18 653 585 A 34 ALA HB% A 37 ASN H 1.0 . 5.50 654 586 A 2 GLN HE22 A 4 LYS H 1.0 . 4.41 655 587 A 4 LYS H A 6 ILE HD1% 1.0 . 5.50 656 588 A 26 ALA HB% A 24 ALA H 1.0 . 4.88 657 589 A 25 THR H A 25 THR HG2% 1.0 . 4.52 658 590 A 25 THR H A 22 ASP HBx 1.0 . 5.04 659 591 A 25 THR HG2% A 26 ALA H 1.0 . 4.58 660 592 A 24 ALA HA A 27 GLU H 1.0 . 4.24 661 593 A 27 GLU H A 27 GLU HG2 1.0 . 4.28 662 593 A 27 GLU H A 27 GLU HG3 1.0 . 4.28 663 594 A 21 VAL H A 21 VAL HGy% 1.0 . 4.63 664 595 A 28 LYS H A 28 LYS HDx 1.0 . 4.85 665 596 A 28 LYS H A 28 LYS HDy 1.0 . 5.26 666 597 A 28 LYS H A 27 GLU HBx 1.0 . 4.14 667 598 A 29 VAL H A 28 LYS H 1.0 . 4.24 668 599 A 28 LYS HBx A 29 VAL H 1.0 . 4.40 669 600 A 29 VAL H A 28 LYS HBy 1.0 . 4.69 670 601 A 25 THR HG2% A 29 VAL H 1.0 . 4.50 671 602 A 29 VAL HGx% A 29 VAL H 1.0 . 4.09 672 603 A 29 VAL H A 29 VAL HGy% 1.0 . 4.14 673 604 A 25 THR HA A 29 VAL H 1.0 . 5.50 674 605 A 29 VAL H A 26 ALA HB% 1.0 . 4.73 675 606 A 29 VAL H A 18 THR HG2% 1.0 . 5.50 676 607 A 30 PHE H A 26 ALA HB% 1.0 . 5.50 677 608 A 5 LEU HDy% A 30 PHE H 1.0 . 5.50 678 609 A 29 VAL H A 31 LYS H 1.0 . 4.58 679 610 A 27 GLU HA A 31 LYS H 1.0 . 4.36 680 611 A 31 LYS H A 31 LYS HBy 1.0 . 3.94 681 612 A 31 LYS H A 31 LYS HDy 1.0 . 4.85 682 613 A 16 THR HG2% A 15 GLU H 1.0 . 4.75 683 614 A 31 LYS H A 31 LYS HGy 1.0 . 4.88 684 615 A 28 LYS HA A 32 GLN H 1.0 . 4.50 685 616 A 29 VAL HA A 32 GLN H 1.0 . 4.52 686 617 A 28 LYS HBy A 32 GLN H 1.0 . 5.19 687 618 A 34 ALA HB% A 32 GLN H 1.0 . 5.50 688 619 A 31 LYS HBy A 32 GLN H 1.0 . 4.05 689 620 A 32 GLN HE21 A 32 GLN HB2 1.0 . 4.91 690 620 A 32 GLN HB3 A 32 GLN HE21 1.0 . 4.91 691 621 A 33 TYR H A 34 ALA H 1.0 . 4.41 692 622 A 33 TYR H A 32 GLN H 1.0 . 4.45 693 623 A 33 TYR H A 32 GLN HB2 1.0 . 4.54 694 623 A 32 GLN HB3 A 33 TYR H 1.0 . 4.54 695 624 A 33 TYR H A 32 GLN HG2 1.0 . 5.50 696 624 A 32 GLN HG3 A 33 TYR H 1.0 . 5.50 697 625 A 33 TYR H A 34 ALA HB% 1.0 . 4.55 698 626 A 43 TRP HZ2 A 34 ALA H 1.0 . 4.87 699 627 A 34 ALA H A 37 ASN H 1.0 . 5.35 700 628 A 32 GLN HE22 A 34 ALA H 1.0 . 4.42 701 629 A 43 TRP HH2 A 34 ALA H 1.0 . 4.51 702 630 A 30 PHE HA A 34 ALA H 1.0 . 4.39 703 631 A 33 TYR HBx A 34 ALA H 1.0 . 3.99 704 632 A 34 ALA H A 35 ASN HB2 1.0 . 4.27 705 632 A 35 ASN HB3 A 34 ALA H 1.0 . 4.27 706 633 A 39 VAL HGy% A 34 ALA H 1.0 . 4.62 707 634 A 49 THR HG2% A 48 ALA H 1.0 . 4.72 708 635 A 36 ASP H A 32 GLN HG2 1.0 . 4.47 709 635 A 32 GLN HG3 A 36 ASP H 1.0 . 4.47 710 636 A 38 GLY H A 36 ASP H 1.0 . 4.24 711 637 A 35 ASN HA A 38 GLY H 1.0 . 4.08 712 638 A 40 ASP H A 39 VAL HGy% 1.0 . 5.22 713 639 A 56 GLU HBx A 40 ASP H 1.0 . 4.61 714 640 A 56 GLU HA A 42 GLU H 1.0 . 4.17 715 641 A 42 GLU H A 42 GLU HG2 1.0 . 4.47 716 641 A 42 GLU HG3 A 42 GLU H 1.0 . 4.47 717 642 A 42 GLU H A 42 GLU HBy 1.0 . 3.98 718 643 A 42 GLU H A 42 GLU HBx 1.0 . 3.96 719 644 A 55 THR HG2% A 42 GLU H 1.0 . 4.31 720 645 A 43 TRP H A 42 GLU HG2 1.0 . 4.28 721 645 A 43 TRP H A 42 GLU HG3 1.0 . 4.28 722 646 A 43 TRP H A 42 GLU HBx 1.0 . 4.02 723 647 A 20 ALA H A 20 ALA HB% 1.0 . 4.15 724 648 A 43 TRP HBx A 43 TRP HE1 1.0 . 5.25 725 649 A 34 ALA HB% A 43 TRP HE1 1.0 . 4.53 726 650 A 31 LYS HDy A 43 TRP HE1 1.0 . 4.71 727 651 A 43 TRP HE1 A 31 LYS HDx 1.0 . 4.60 728 652 A 39 VAL HGy% A 43 TRP HE1 1.0 . 5.50 729 653 A 39 VAL HGx% A 43 TRP HE1 1.0 . 4.76 730 654 A 47 ASP H A 47 ASP HBx 1.0 . 4.13 731 655 A 47 ASP HBy A 47 ASP H 1.0 . 4.08 732 656 A 34 ALA HB% A 35 ASN H 1.0 . 4.06 733 657 A 39 VAL HGy% A 35 ASN H 1.0 . 4.83 734 658 A 51 THR H A 50 LYS H 1.0 . 4.38 735 659 A 49 THR H A 50 LYS H 1.0 . 4.31 736 660 A 48 ALA HB% A 50 LYS H 1.0 . 4.36 737 661 A 49 THR HG2% A 50 LYS H 1.0 . 4.40 738 662 A 51 THR HG2% A 50 LYS H 1.0 . 5.50 739 663 A 7 LEU HDy% A 54 VAL H 1.0 . 4.75 740 664 A 56 GLU H A 55 THR HB 1.0 . 4.51 741 665 A 3 TYR H A 18 THR H 1.0 . 4.43 742 666 A 3 TYR H A 4 LYS H 1.0 . 5.50 743 667 A 3 TYR H A 19 GLU HA 1.0 . 4.24 744 668 A 3 TYR H A 2 GLN HGx 1.0 . 5.50 745 669 A 3 TYR H A 2 GLN HBx 1.0 . 4.28 746 670 A 3 TYR H A 20 ALA HB% 1.0 . 4.72 747 671 A 3 TYR H A 18 THR HG2% 1.0 . 4.60 748 672 A 4 LYS H A 4 LYS HBy 1.0 . 3.89 749 673 A 4 LYS H A 4 LYS HBx 1.0 . 3.85 750 674 A 4 LYS H A 3 TYR HBx 1.0 . 4.29 751 675 A 4 LYS H A 3 TYR HBy 1.0 . 4.20 752 676 A 23 ALA H A 22 ASP HBx 1.0 . 5.02 753 677 A 3 TYR H A 2 GLN H 1.0 . 4.72 754 678 A 13 LYS H A 13 LYS HGx 1.0 . 4.56 755 679 A 7 LEU HDx% A 15 GLU H 1.0 . 5.09 756 680 A 15 GLU H A 15 GLU HG2 1.0 . 4.33 757 680 A 15 GLU HG3 A 15 GLU H 1.0 . 4.33 758 681 A 16 THR H A 15 GLU HG2 1.0 . 4.41 759 681 A 15 GLU HG3 A 16 THR H 1.0 . 4.41 760 682 A 16 THR H A 15 GLU HB2 1.0 . 4.07 761 682 A 16 THR H A 15 GLU HB3 1.0 . 4.07 762 683 A 16 THR H A 4 LYS HG2 1.0 . 4.75 763 683 A 4 LYS HG3 A 16 THR H 1.0 . 4.75 764 684 A 6 ILE HG1x A 16 THR H 1.0 . 5.41 765 685 A 16 THR H A 7 LEU HG 1.0 . 5.50 766 686 A 5 LEU HBy A 16 THR H 1.0 . 4.00 767 687 A 16 THR H A 16 THR HG2% 1.0 . 3.94 768 688 A 21 VAL H A 20 ALA HB% 1.0 . 4.30 769 689 A 21 VAL H A 21 VAL HGx% 1.0 . 4.37 770 690 A 25 THR H A 22 ASP H 1.0 . 4.68 771 691 A 35 ASN H A 37 ASN H 1.0 . 5.46 772 692 A 23 ALA H A 22 ASP H 1.0 . 4.55 773 693 A 26 ALA H A 24 ALA H 1.0 . 4.79 774 694 A 24 ALA H A 22 ASP H 1.0 . 5.50 775 695 A 47 ASP HBy A 48 ALA H 1.0 . 4.57 776 696 A 27 GLU HA A 30 PHE H 1.0 . 5.22 777 697 A 46 ASP HBy A 48 ALA H 1.0 . 5.27 778 698 A 31 LYS H A 32 GLN H 1.0 . 4.45 779 699 A 32 GLN HA A 35 ASN H 1.0 . 4.24 780 700 A 31 LYS HA A 35 ASN H 1.0 . 4.09 781 701 A 33 TYR HA A 35 ASN H 1.0 . 4.87 782 702 A 36 ASP HBy A 36 ASP H 1.0 . 3.86 783 703 A 34 ALA HB% A 36 ASP H 1.0 . 5.16 784 704 A 39 VAL H A 38 GLY H 1.0 . 4.05 785 705 A 40 ASP H A 41 GLY H 1.0 . 4.53 786 706 A 48 ALA HB% A 47 ASP H 1.0 . 4.77 787 707 A 13 LYS H A 12 LEU HBx 1.0 . 3.84 788 708 A 13 LYS H A 12 LEU HDy% 1.0 . 4.72 789 709 A 13 LYS H A 12 LEU HDx% 1.0 . 5.40 790 710 A 46 ASP HBx A 48 ALA H 1.0 . 4.28 791 711 A 48 ALA H A 47 ASP HBx 1.0 . 5.31 792 712 A 49 THR H A 46 ASP HBx 1.0 . 4.51 793 713 A 47 ASP HA A 50 LYS H 1.0 . 4.45 794 714 A 49 THR HB A 50 LYS H 1.0 . 5.50 795 715 A 54 VAL HGy% A 55 THR H 1.0 . 4.80 796 716 A 56 GLU H A 54 VAL HGx% 1.0 . 4.89 797 717 A 56 GLU H A 56 GLU HG2 1.0 . 4.52 798 717 A 56 GLU H A 56 GLU HG3 1.0 . 4.52 799 718 A 9 GLY HAy A 56 GLU H 1.0 . 4.34 800 719 A 11 THR H A 10 LYS H 1.0 . 4.70 801 720 A 10 LYS H A 56 GLU HG2 1.0 . 5.06 802 720 A 56 GLU HG3 A 10 LYS H 1.0 . 5.06 803 721 A 10 LYS H A 10 LYS HB2 1.0 . 3.83 804 721 A 10 LYS HB3 A 10 LYS H 1.0 . 3.83 805 722 A 10 LYS H A 10 LYS HD2 1.0 . 4.16 806 722 A 10 LYS H A 10 LYS HD3 1.0 . 4.16 807 723 A 10 LYS H A 10 LYS HG2 1.0 . 3.92 808 723 A 10 LYS HG3 A 10 LYS H 1.0 . 3.92 809 724 A 11 THR HG2% A 10 LYS H 1.0 . 4.87 810 725 A 12 LEU HDx% A 10 LYS H 1.0 . 4.95 811 726 A 52 PHE H A 51 THR HB 1.0 . 4.44 812 727 A 5 LEU HA A 52 PHE H 1.0 . 4.40 813 728 A 6 ILE HD1% A 52 PHE H 1.0 . 4.74 814 729 A 5 LEU HDy% A 52 PHE H 1.0 . 4.99 815 730 A 5 LEU HDx% A 52 PHE H 1.0 . 5.50 816 731 A 51 THR HG2% A 52 PHE H 1.0 . 4.20 817 732 A 52 PHE H A 3 TYR HBy 1.0 . 4.36 818 733 A 4 LYS H A 52 PHE H 1.0 . 4.49 819 734 A 53 THR H A 52 PHE H 1.0 . 5.22 820 735 A 54 VAL HGx% A 43 TRP HE1 1.0 . 4.22 821 736 A 34 ALA HB% A 43 TRP HZ2 1.0 . 3.58 822 737 A 43 TRP HZ2 A 54 VAL HGx% 1.0 . 3.89 823 738 A 43 TRP HZ2 A 54 VAL HB 1.0 . 4.37 824 739 A 43 TRP HZ2 A 34 ALA HA 1.0 . 5.08 825 740 A 43 TRP HZ2 A 31 LYS HDy 1.0 . 5.05 826 741 A 44 THR H A 43 TRP HE3 1.0 . 5.15 827 742 A 43 TRP HA A 43 TRP HE3 1.0 . 5.35 828 743 A 5 LEU HDy% A 43 TRP HE3 1.0 . 5.50 829 744 A 54 VAL HGy% A 43 TRP HE3 1.0 . 5.50 830 745 A 52 PHE HBy A 43 TRP HZ3 1.0 . 4.94 831 746 A 52 PHE HBx A 43 TRP HZ3 1.0 . 5.12 832 747 A 54 VAL HGy% A 43 TRP HZ3 1.0 . 5.31 833 748 A 5 LEU HDy% A 43 TRP HZ3 1.0 . 5.45 834 749 A 5 LEU HDx% A 43 TRP HZ3 1.0 . 5.50 835 750 A 54 VAL HGx% A 43 TRP HZ3 1.0 . 5.32 836 751 A 43 TRP HA A 43 TRP HZ3 1.0 . 5.50 837 752 A 52 PHE HA A 43 TRP HZ3 1.0 . 5.50 838 753 A 44 THR H A 43 TRP HZ3 1.0 . 5.50 839 754 A 31 LYS H A 43 TRP HH2 1.0 . 5.50 840 755 A 43 TRP HH2 A 34 ALA HA 1.0 . 5.14 841 756 A 43 TRP HH2 A 30 PHE HBy 1.0 . 4.92 842 757 A 30 PHE HBx A 43 TRP HH2 1.0 . 5.42 843 758 A 43 TRP HH2 A 34 ALA HB% 1.0 . 4.39 844 759 A 54 VAL HGy% A 43 TRP HH2 1.0 . 4.68 845 760 A 5 LEU HDy% A 43 TRP HH2 1.0 . 5.34 846 761 A 5 LEU HDx% A 43 TRP HH2 1.0 . 5.50 847 762 A 43 TRP HH2 A 54 VAL HGx% 1.0 . 5.21 848 763 A 43 TRP HH2 A 5 LEU HG 1.0 . 5.15 849 764 A 43 TRP H A 43 TRP HD1 1.0 . 4.08 850 765 A 43 TRP HD1 A 54 VAL HB 1.0 . 5.41 851 766 A 43 TRP HD1 A 54 VAL HGx% 1.0 . 4.73 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 GLN N A 2 GLN CA A 2 GLN C 1.0 -111.904 -86.004 PHI 2 2 A 2 GLN N A 2 GLN CA A 2 GLN C A 3 TYR N 1.0 119.069 147.807 PSI 3 3 A 2 GLN C A 3 TYR N A 3 TYR CA A 3 TYR C 1.0 -127.982 -109.308 PHI 4 4 A 3 TYR N A 3 TYR CA A 3 TYR C A 4 LYS N 1.0 135.110 159.992 PSI 5 5 A 3 TYR C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -136.463 -116.467 PHI 6 6 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 LEU N 1.0 110.913 135.393 PSI 7 7 A 4 LYS C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -117.692 -98.008 PHI 8 8 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 ILE N 1.0 115.558 133.044 PSI 9 9 A 5 LEU C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -125.281 -104.155 PHI 10 10 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 LEU N 1.0 112.141 134.369 PSI 11 11 A 6 ILE C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -117.523 -98.251 PHI 12 12 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 ASN N 1.0 111.480 135.556 PSI 13 13 A 7 LEU C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -135.929 -79.269 PHI 14 14 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 GLY N 1.0 108.946 161.714 PSI 15 15 A 8 ASN C A 9 GLY N A 9 GLY CA A 9 GLY C 1.0 -176.834 -37.682 PHI 16 16 A 9 GLY N A 9 GLY CA A 9 GLY C A 10 LYS N 1.0 148.945 194.591 PSI 17 17 A 9 GLY C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -81.774 -51.614 PHI 18 18 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 THR N 1.0 -41.775 -20.309 PSI 19 19 A 10 LYS C A 11 THR N A 11 THR CA A 11 THR C 1.0 -117.109 -84.421 PHI 20 20 A 11 THR N A 11 THR CA A 11 THR C A 12 LEU N 1.0 -19.234 15.194 PSI 21 21 A 11 THR C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -156.853 -96.057 PHI 22 22 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 LYS N 1.0 103.485 141.877 PSI 23 23 A 12 LEU C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -141.657 -109.351 PHI 24 24 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 GLY N 1.0 150.054 173.072 PSI 25 25 A 13 LYS C A 14 GLY N A 14 GLY CA A 14 GLY C 1.0 -164.963 -144.013 PHI 26 26 A 14 GLY N A 14 GLY CA A 14 GLY C A 15 GLU N 1.0 138.691 167.309 PSI 27 27 A 14 GLY C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -150.012 -123.274 PHI 28 28 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 THR N 1.0 133.217 157.493 PSI 29 29 A 15 GLU C A 16 THR N A 16 THR CA A 16 THR C 1.0 -145.343 -110.889 PHI 30 30 A 16 THR N A 16 THR CA A 16 THR C A 17 THR N 1.0 129.003 162.779 PSI 31 31 A 16 THR C A 17 THR N A 17 THR CA A 17 THR C 1.0 -150.461 -123.977 PHI 32 32 A 17 THR N A 17 THR CA A 17 THR C A 18 THR N 1.0 147.490 168.642 PSI 33 33 A 17 THR C A 18 THR N A 18 THR CA A 18 THR C 1.0 -144.645 -111.917 PHI 34 34 A 18 THR N A 18 THR CA A 18 THR C A 19 GLU N 1.0 114.610 144.688 PSI 35 35 A 18 THR C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -131.419 -105.133 PHI 36 36 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 ALA N 1.0 123.012 146.958 PSI 37 37 A 19 GLU C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -167.290 -88.036 PHI 38 38 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 VAL N 1.0 143.351 172.041 PSI 39 39 A 20 ALA C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -106.577 -77.659 PHI 40 40 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 ASP N 1.0 -29.008 -0.736 PSI 41 41 A 21 VAL C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -169.213 -111.955 PHI 42 42 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 ALA N 1.0 150.115 172.517 PSI 43 43 A 22 ASP C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -71.861 -54.435 PHI 44 44 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 ALA N 1.0 -44.238 -25.020 PSI 45 45 A 23 ALA C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -69.874 -60.754 PHI 46 46 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 THR N 1.0 -41.134 -35.982 PSI 47 47 A 24 ALA C A 25 THR N A 25 THR CA A 25 THR C 1.0 -76.798 -59.580 PHI 48 48 A 25 THR N A 25 THR CA A 25 THR C A 26 ALA N 1.0 -44.736 -32.888 PSI 49 49 A 25 THR C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -68.157 -58.795 PHI 50 50 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 GLU N 1.0 -45.181 -38.903 PSI 51 51 A 26 ALA C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -67.222 -52.708 PHI 52 52 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 LYS N 1.0 -51.489 -37.301 PSI 53 53 A 27 GLU C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -66.286 -60.832 PHI 54 54 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 VAL N 1.0 -45.105 -38.845 PSI 55 55 A 28 LYS C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -78.491 -58.339 PHI 56 56 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 PHE N 1.0 -49.548 -36.600 PSI 57 57 A 29 VAL C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -71.492 -62.076 PHI 58 58 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 LYS N 1.0 -52.429 -30.737 PSI 59 59 A 30 PHE C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -70.717 -53.803 PHI 60 60 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 GLN N 1.0 -52.062 -29.884 PSI 61 61 A 31 LYS C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -74.139 -64.013 PHI 62 62 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 TYR N 1.0 -46.723 -34.855 PSI 63 63 A 32 GLN C A 33 TYR N A 33 TYR CA A 33 TYR C 1.0 -68.931 -55.421 PHI 64 64 A 33 TYR N A 33 TYR CA A 33 TYR C A 34 ALA N 1.0 -48.264 -32.664 PSI 65 65 A 33 TYR C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -72.322 -58.022 PHI 66 66 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 ASN N 1.0 -45.851 -32.623 PSI 67 67 A 34 ALA C A 35 ASN N A 35 ASN CA A 35 ASN C 1.0 -65.814 -58.444 PHI 68 68 A 35 ASN N A 35 ASN CA A 35 ASN C A 36 ASP N 1.0 -46.315 -34.781 PSI 69 69 A 35 ASN C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -66.973 -56.817 PHI 70 70 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 ASN N 1.0 -35.302 -11.560 PSI 71 71 A 36 ASP C A 37 ASN N A 37 ASN CA A 37 ASN C 1.0 -104.614 -78.568 PHI 72 72 A 37 ASN N A 37 ASN CA A 37 ASN C A 38 GLY N 1.0 -7.091 10.331 PSI 73 73 A 37 ASN C A 38 GLY N A 38 GLY CA A 38 GLY C 1.0 75.207 97.307 PHI 74 74 A 38 GLY N A 38 GLY CA A 38 GLY C A 39 VAL N 1.0 2.249 22.885 PSI 75 75 A 38 GLY C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -98.887 -65.819 PHI 76 76 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 ASP N 1.0 119.391 139.867 PSI 77 77 A 39 VAL C A 40 ASP N A 40 ASP CA A 40 ASP C 1.0 -127.051 -90.695 PHI 78 78 A 40 ASP N A 40 ASP CA A 40 ASP C A 41 GLY N 1.0 100.764 150.146 PSI 79 79 A 40 ASP C A 41 GLY N A 41 GLY CA A 41 GLY C 1.0 -212.376 -91.566 PHI 80 80 A 41 GLY N A 41 GLY CA A 41 GLY C A 42 GLU N 1.0 146.425 181.565 PSI 81 81 A 41 GLY C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -129.296 -95.900 PHI 82 82 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 TRP N 1.0 110.067 147.689 PSI 83 83 A 42 GLU C A 43 TRP N A 43 TRP CA A 43 TRP C 1.0 -133.724 -103.048 PHI 84 84 A 43 TRP N A 43 TRP CA A 43 TRP C A 44 THR N 1.0 137.318 163.164 PSI 85 85 A 43 TRP C A 44 THR N A 44 THR CA A 44 THR C 1.0 -146.399 -105.699 PHI 86 86 A 44 THR N A 44 THR CA A 44 THR C A 45 TYR N 1.0 144.277 164.605 PSI 87 87 A 44 THR C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -159.384 -133.504 PHI 88 88 A 45 TYR N A 45 TYR CA A 45 TYR C A 46 ASP N 1.0 113.497 146.261 PSI 89 89 A 45 TYR C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -138.132 -96.172 PHI 90 90 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 ASP N 1.0 99.894 148.156 PSI 91 91 A 46 ASP C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -63.438 -55.422 PHI 92 92 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 ALA N 1.0 -32.833 -14.829 PSI 93 93 A 47 ASP C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -90.599 -72.355 PHI 94 94 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 THR N 1.0 -44.951 -5.377 PSI 95 95 A 48 ALA C A 49 THR N A 49 THR CA A 49 THR C 1.0 -110.883 -91.241 PHI 96 96 A 49 THR N A 49 THR CA A 49 THR C A 50 LYS N 1.0 -10.023 14.387 PSI 97 97 A 49 THR C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 45.190 101.194 PHI 98 98 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 THR N 1.0 3.294 51.454 PSI 99 99 A 50 LYS C A 51 THR N A 51 THR CA A 51 THR C 1.0 -125.861 -79.761 PHI 100 100 A 51 THR N A 51 THR CA A 51 THR C A 52 PHE N 1.0 121.946 138.452 PSI 101 101 A 51 THR C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -127.408 -105.302 PHI 102 102 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 THR N 1.0 138.002 165.670 PSI 103 103 A 52 PHE C A 53 THR N A 53 THR CA A 53 THR C 1.0 -145.805 -132.313 PHI 104 104 A 53 THR N A 53 THR CA A 53 THR C A 54 VAL N 1.0 131.024 154.616 PSI 105 105 A 53 THR C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -145.942 -111.118 PHI 106 106 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 THR N 1.0 118.364 145.662 PSI 107 107 A 54 VAL C A 55 THR N A 55 THR CA A 55 THR C 1.0 -123.959 -83.147 PHI 108 108 A 55 THR N A 55 THR CA A 55 THR C A 56 GLU N 1.0 113.006 141.074 PSI stop_ save_