data_nef_c25745_5abk 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 5abk 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 ALA middle . . 3 A 3 MET middle . . 4 A 4 ALA middle . . 5 A 5 GLN middle . . 6 A 6 THR middle . . 7 A 7 PRO middle . false 8 A 8 ILE middle . . 9 A 9 ASP middle . . 10 A 10 LEU middle . . 11 A 11 GLY middle . false 12 A 12 VAL middle . . 13 A 13 VAL middle . . 14 A 14 ASN middle . . 15 A 15 GLU middle . . 16 A 16 ASP middle . . 17 A 17 LYS middle . . 18 A 18 LEU middle . . 19 A 19 ILE middle . . 20 A 20 GLU middle . . 21 A 21 MET middle . . 22 A 22 LEU middle . . 23 A 23 VAL middle . . 24 A 24 ARG middle . . 25 A 25 THR middle . . 26 A 26 GLY middle . false 27 A 27 GLN middle . . 28 A 28 ILE middle . . 29 A 29 PRO middle . false 30 A 30 ALA middle . . 31 A 31 ASP middle . . 32 A 32 ALA middle . . 33 A 33 SER middle . . 34 A 34 ASP middle . . 35 A 35 VAL middle . . 36 A 36 ASP middle . . 37 A 37 LYS middle . . 38 A 38 ARG middle . . 39 A 39 ILE middle . . 40 A 40 ALA middle . . 41 A 41 LEU middle . . 42 A 42 GLU middle . . 43 A 43 ARG middle . . 44 A 44 TYR middle . . 45 A 45 LEU middle . . 46 A 46 GLU middle . . 47 A 47 GLU middle . . 48 A 48 LYS middle . . 49 A 49 ILE middle . . 50 A 50 ARG middle . . 51 A 51 SER middle . . 52 A 52 GLY middle . false 53 A 53 PHE middle . . 54 A 54 LYS middle . . 55 A 55 GLY middle . false 56 A 56 ASP middle . . 57 A 57 ALA middle . . 58 A 58 GLN middle . . 59 A 59 PHE middle . . 60 A 60 GLY middle . false 61 A 61 LYS middle . . 62 A 62 LYS middle . . 63 A 63 ALA middle . . 64 A 64 LEU middle . . 65 A 65 GLU middle . . 66 A 66 GLN middle . . 67 A 67 ARG middle . . 68 A 68 ALA middle . . 69 A 69 LYS middle . . 70 A 70 ILE middle . . 71 A 71 LEU middle . . 72 A 72 LYS middle . . 73 A 73 VAL middle . . 74 A 74 ILE middle . . 75 A 75 ASP middle . . 76 A 76 LYS middle . . 77 A 77 GLN middle . . 78 A 78 LYS middle . . 79 A 79 GLY middle . false 80 A 80 PRO middle . false 81 A 81 HIS middle . . 82 A 82 LYS middle . . 83 A 83 ALA middle . . 84 A 84 ARG end . . stop_ save_ save_assigned_chem_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ALA HA H 1 4.119 . A 2 ALA HB% H 1 1.169 . A 2 ALA C C 13 175.076 . A 2 ALA CA C 13 49.743 . A 2 ALA CB C 13 16.523 . A 3 MET H H 1 8.359 0.001 A 3 MET HA H 1 4.232 0.004 A 3 MET HBx H 1 1.786 0.009 A 3 MET HBy H 1 1.851 0.003 A 3 MET HGx H 1 2.352 . A 3 MET HGy H 1 2.410 . A 3 MET C C 13 173.209 . A 3 MET CA C 13 52.456 0.039 A 3 MET CB C 13 29.939 0.001 A 3 MET CG C 13 29.037 . A 3 MET N N 15 120.053 0.015 A 4 ALA H H 1 8.251 0.006 A 4 ALA HA H 1 4.076 0.002 A 4 ALA HB% H 1 1.169 0.007 A 4 ALA C C 13 174.690 . A 4 ALA CA C 13 49.616 0.024 A 4 ALA CB C 13 16.389 0.009 A 4 ALA N N 15 125.817 0.013 A 5 GLN H H 1 8.274 0.002 A 5 GLN HA H 1 4.157 0.004 A 5 GLN HBx H 1 1.742 0.002 A 5 GLN HBy H 1 1.867 0.006 A 5 GLN HG2 H 1 2.140 . A 5 GLN C C 13 173.064 . A 5 GLN CA C 13 52.647 0.049 A 5 GLN CB C 13 26.852 0.019 A 5 GLN CG C 13 30.964 0.021 A 5 GLN N N 15 119.839 0.019 A 6 THR H H 1 8.181 0.005 A 6 THR HA H 1 4.348 0.001 A 6 THR HB H 1 3.931 0.004 A 6 THR HG2% H 1 1.039 0.002 A 6 THR C C 13 169.911 . A 6 THR CA C 13 57.258 0.074 A 6 THR CB C 13 66.793 0.019 A 6 THR CG2 C 13 18.694 0.021 A 6 THR N N 15 118.689 0.019 A 7 PRO HA H 1 4.212 0.001 A 7 PRO HBy H 1 2.080 0.002 A 7 PRO HBx H 1 1.666 0.003 A 7 PRO HDy H 1 3.666 0.003 A 7 PRO HDx H 1 3.485 0.002 A 7 PRO HGx H 1 1.768 0.002 A 7 PRO HGy H 1 1.830 0.001 A 7 PRO C C 13 174.097 . A 7 PRO CA C 13 60.421 0.018 A 7 PRO CB C 13 29.323 0.013 A 7 PRO CD C 13 48.271 0.022 A 7 PRO CG C 13 24.664 0.019 A 8 ILE H H 1 8.070 0.002 A 8 ILE HA H 1 3.851 0.002 A 8 ILE HB H 1 1.584 0.003 A 8 ILE HD1% H 1 0.639 0.01 A 8 ILE HG1x H 1 0.959 0.003 A 8 ILE HG1y H 1 1.267 0.004 A 8 ILE HG2% H 1 0.654 . A 8 ILE C C 13 172.844 . A 8 ILE CA C 13 58.473 0.033 A 8 ILE CB C 13 36.029 0.005 A 8 ILE CD1 C 13 10.184 0.033 A 8 ILE CG1 C 13 24.665 0.015 A 8 ILE CG2 C 13 14.671 0.027 A 8 ILE N N 15 121.072 0.006 A 9 ASP H H 1 8.188 0.002 A 9 ASP HA H 1 4.416 0.001 A 9 ASP HBy H 1 2.545 0.003 A 9 ASP HBx H 1 2.376 0.005 A 9 ASP C C 13 173.471 . A 9 ASP CA C 13 50.956 0.034 A 9 ASP CB C 13 38.335 0.025 A 9 ASP N N 15 124.397 0.005 A 10 LEU H H 1 8.301 0.002 A 10 LEU HA H 1 4.043 0.005 A 10 LEU HBy H 1 1.461 0.001 A 10 LEU HBx H 1 1.395 0.004 A 10 LEU HDx% H 1 0.691 0.002 A 10 LEU HDy% H 1 0.617 0.002 A 10 LEU HG H 1 1.451 0.002 A 10 LEU C C 13 175.196 . A 10 LEU CA C 13 52.756 0.034 A 10 LEU CB C 13 39.238 0.017 A 10 LEU CDy C 13 22.316 0.099 A 10 LEU CDx C 13 20.387 0.011 A 10 LEU CG C 13 24.182 0.039 A 10 LEU N N 15 123.979 0.011 A 11 GLY H H 1 8.320 0.009 A 11 GLY HA2 H 1 3.704 . A 11 GLY C C 13 171.483 . A 11 GLY CA C 13 42.718 0.02 A 11 GLY N N 15 108.391 0.014 A 12 VAL H H 1 7.692 0.002 A 12 VAL HA H 1 3.889 0.001 A 12 VAL HB H 1 1.873 0.008 A 12 VAL HGx% H 1 0.717 0.005 A 12 VAL HGy% H 1 0.700 0.007 A 12 VAL C C 13 173.536 . A 12 VAL CA C 13 59.751 0.003 A 12 VAL CB C 13 29.737 0.026 A 12 VAL CGx C 13 17.915 0.021 A 12 VAL CGy C 13 18.367 0.022 A 12 VAL N N 15 119.210 0.023 A 13 VAL H H 1 8.022 0.002 A 13 VAL HA H 1 3.833 0.006 A 13 VAL HB H 1 1.850 0.003 A 13 VAL HGx% H 1 0.724 0.011 A 13 VAL HGy% H 1 0.704 0.011 A 13 VAL C C 13 172.859 . A 13 VAL CA C 13 59.908 . A 13 VAL CB C 13 29.793 . A 13 VAL CG1 C 13 18.283 . A 13 VAL CG2 C 13 18.283 . A 13 VAL N N 15 123.239 0.014 A 14 ASN H H 1 8.175 0.004 A 14 ASN HA H 1 4.495 0.005 A 14 ASN HBy H 1 2.695 0.006 A 14 ASN HBx H 1 2.610 0.003 A 14 ASN C C 13 172.873 . A 14 ASN CA C 13 50.249 . A 14 ASN CB C 13 35.751 0.028 A 14 ASN N N 15 122.101 0.019 A 15 GLU H H 1 8.555 0.005 A 15 GLU HA H 1 3.595 0.003 A 15 GLU HBy H 1 1.858 0.002 A 15 GLU HBx H 1 1.768 0.003 A 15 GLU HGy H 1 2.157 0.005 A 15 GLU HGx H 1 1.958 0.002 A 15 GLU C C 13 174.460 . A 15 GLU CA C 13 57.400 0.055 A 15 GLU CB C 13 26.876 0.036 A 15 GLU CG C 13 34.185 0.024 A 15 GLU N N 15 122.909 0.015 A 16 ASP H H 1 8.110 0.002 A 16 ASP HA H 1 4.139 0.003 A 16 ASP HBx H 1 2.473 0.025 A 16 ASP HBy H 1 2.507 . A 16 ASP C C 13 176.422 . A 16 ASP CA C 13 54.583 0.04 A 16 ASP CB C 13 37.077 . A 16 ASP N N 15 117.900 0.008 A 17 LYS H H 1 7.698 0.003 A 17 LYS HA H 1 3.884 0.003 A 17 LYS HBy H 1 1.651 0.007 A 17 LYS HBx H 1 1.628 0.006 A 17 LYS HD2 H 1 1.464 . A 17 LYS HGy H 1 1.347 0.002 A 17 LYS HGx H 1 1.212 0.002 A 17 LYS C C 13 176.851 . A 17 LYS CA C 13 55.484 0.001 A 17 LYS CB C 13 29.430 . A 17 LYS CD C 13 25.873 . A 17 LYS CE C 13 39.274 . A 17 LYS CG C 13 22.257 0.012 A 17 LYS N N 15 120.238 0.01 A 18 LEU H H 1 7.805 0.003 A 18 LEU HA H 1 3.868 0.005 A 18 LEU HBy H 1 1.667 0.004 A 18 LEU HBx H 1 1.041 0.005 A 18 LEU HDx% H 1 0.661 0.002 A 18 LEU HDy% H 1 0.589 0.002 A 18 LEU HG H 1 1.446 0.004 A 18 LEU C C 13 176.037 . A 18 LEU CA C 13 55.100 0.039 A 18 LEU CB C 13 39.357 0.026 A 18 LEU CDy C 13 22.831 . A 18 LEU CDx C 13 20.954 0.03 A 18 LEU CG C 13 24.279 0.037 A 18 LEU N N 15 121.912 0.013 A 19 ILE H H 1 8.218 0.004 A 19 ILE HA H 1 3.269 0.001 A 19 ILE HB H 1 1.763 0.004 A 19 ILE HD1% H 1 0.599 0.004 A 19 ILE HG12 H 1 1.614 0.001 A 19 ILE HG2% H 1 0.663 0.002 A 19 ILE C C 13 174.456 . A 19 ILE CA C 13 62.916 0.002 A 19 ILE CB C 13 34.366 0.051 A 19 ILE CD1 C 13 9.869 0.017 A 19 ILE CG1 C 13 27.881 0.02 A 19 ILE CG2 C 13 15.002 0.029 A 19 ILE N N 15 119.554 0.016 A 20 GLU H H 1 7.653 0.003 A 20 GLU HA H 1 3.725 0.003 A 20 GLU HBy H 1 1.997 0.003 A 20 GLU HBx H 1 1.894 0.008 A 20 GLU HGy H 1 2.213 0.009 A 20 GLU HGx H 1 2.000 0.004 A 20 GLU C C 13 176.336 . A 20 GLU CA C 13 56.936 0.057 A 20 GLU CB C 13 26.392 0.025 A 20 GLU CG C 13 33.451 0.043 A 20 GLU N N 15 117.916 0.012 A 21 MET H H 1 7.515 0.002 A 21 MET HA H 1 3.824 0.006 A 21 MET HB2 H 1 1.960 0.003 A 21 MET HE% H 1 1.549 0.002 A 21 MET HGx H 1 2.211 0.011 A 21 MET HGy H 1 2.534 0.004 A 21 MET C C 13 176.169 . A 21 MET CA C 13 56.331 0.017 A 21 MET CB C 13 27.355 0.052 A 21 MET CE C 13 13.220 0.009 A 21 MET CG C 13 28.590 0.017 A 21 MET N N 15 120.409 0.013 A 22 LEU H H 1 8.279 0.004 A 22 LEU HA H 1 3.591 0.005 A 22 LEU HBy H 1 1.821 0.004 A 22 LEU HBx H 1 0.822 0.004 A 22 LEU HDx% H 1 0.245 0.003 A 22 LEU HDy% H 1 0.130 0.004 A 22 LEU HG H 1 1.410 0.001 A 22 LEU C C 13 176.167 . A 22 LEU CA C 13 54.888 0.001 A 22 LEU CB C 13 38.278 0.036 A 22 LEU CDy C 13 22.442 0.014 A 22 LEU CDx C 13 19.004 0.01 A 22 LEU CG C 13 23.426 0.052 A 22 LEU N N 15 123.911 0.018 A 23 VAL H H 1 8.234 0.001 A 23 VAL HA H 1 4.012 0.003 A 23 VAL HB H 1 1.953 0.004 A 23 VAL HGx% H 1 0.707 0.004 A 23 VAL HGy% H 1 0.716 0.004 A 23 VAL C C 13 178.170 . A 23 VAL CA C 13 62.358 0.037 A 23 VAL CB C 13 29.218 0.047 A 23 VAL CGy C 13 19.357 0.018 A 23 VAL CGx C 13 18.453 0.002 A 23 VAL N N 15 120.864 0.007 A 24 ARG H H 1 8.450 0.002 A 24 ARG HA H 1 3.906 0.001 A 24 ARG HB2 H 1 1.815 0.004 A 24 ARG HD2 H 1 3.031 0.007 A 24 ARG HGy H 1 1.551 0.002 A 24 ARG HGx H 1 1.482 . A 24 ARG C C 13 175.876 . A 24 ARG CA C 13 56.841 0.014 A 24 ARG CB C 13 27.359 . A 24 ARG CD C 13 40.482 . A 24 ARG CG C 13 24.683 0.03 A 24 ARG N N 15 122.848 0.014 A 25 THR H H 1 7.888 0.002 A 25 THR HA H 1 4.205 0.001 A 25 THR HB H 1 4.399 0.002 A 25 THR HG2% H 1 1.119 0.003 A 25 THR C C 13 172.886 . A 25 THR CA C 13 58.953 0.022 A 25 THR CB C 13 67.256 0.095 A 25 THR CG2 C 13 18.848 0.011 A 25 THR N N 15 105.314 0.007 A 26 GLY H H 1 7.607 0.002 A 26 GLY HAy H 1 3.893 0.002 A 26 GLY HAx H 1 3.784 0.003 A 26 GLY C C 13 172.151 . A 26 GLY CA C 13 43.269 0.016 A 26 GLY N N 15 109.587 0.014 A 27 GLN H H 1 8.350 0.001 A 27 GLN HA H 1 3.952 0.002 A 27 GLN HBx H 1 1.662 0.003 A 27 GLN HBy H 1 1.971 0.006 A 27 GLN HGy H 1 2.160 0.003 A 27 GLN HGx H 1 2.026 0.004 A 27 GLN C C 13 172.895 . A 27 GLN CA C 13 54.531 0.034 A 27 GLN CB C 13 26.821 0.008 A 27 GLN CG C 13 31.657 0.029 A 27 GLN N N 15 118.799 0.009 A 28 ILE H H 1 6.963 0.003 A 28 ILE HA H 1 4.347 0.004 A 28 ILE HB H 1 1.278 0.003 A 28 ILE HD1% H 1 0.579 0.002 A 28 ILE HG1y H 1 1.108 0.003 A 28 ILE HG1x H 1 0.580 0.001 A 28 ILE HG2% H 1 0.589 0.003 A 28 ILE C C 13 169.935 . A 28 ILE CA C 13 54.765 0.023 A 28 ILE CB C 13 38.635 0.038 A 28 ILE CD1 C 13 12.318 0.02 A 28 ILE CG1 C 13 24.264 0.047 A 28 ILE CG2 C 13 15.327 0.035 A 28 ILE N N 15 115.792 0.013 A 29 PRO HA H 1 4.223 0.003 A 29 PRO HBy H 1 2.164 0.001 A 29 PRO HBx H 1 1.763 0.003 A 29 PRO HDy H 1 3.571 0.006 A 29 PRO HDx H 1 3.319 0.003 A 29 PRO HGy H 1 1.793 0.002 A 29 PRO HGx H 1 1.742 0.002 A 29 PRO C C 13 174.313 . A 29 PRO CA C 13 59.663 0.016 A 29 PRO CB C 13 29.869 0.014 A 29 PRO CD C 13 48.417 0.022 A 29 PRO CG C 13 24.766 0.001 A 30 ALA H H 1 8.556 0.002 A 30 ALA HA H 1 3.739 0.002 A 30 ALA HB% H 1 1.181 0.001 A 30 ALA C C 13 175.720 . A 30 ALA CA C 13 51.761 0.015 A 30 ALA CB C 13 15.521 0.013 A 30 ALA N N 15 122.872 0.021 A 31 ASP H H 1 8.020 0.004 A 31 ASP HA H 1 4.369 0.002 A 31 ASP HBy H 1 2.651 0.004 A 31 ASP HBx H 1 2.345 0.002 A 31 ASP C C 13 173.074 . A 31 ASP CA C 13 49.705 0.017 A 31 ASP CB C 13 36.535 0.024 A 31 ASP N N 15 113.381 0.009 A 32 ALA H H 1 7.049 0.002 A 32 ALA HA H 1 4.088 0.001 A 32 ALA HB% H 1 1.196 0.001 A 32 ALA C C 13 174.605 . A 32 ALA CA C 13 49.472 0.01 A 32 ALA CB C 13 17.117 0.011 A 32 ALA N N 15 121.809 0.009 A 33 SER H H 1 9.110 0.002 A 33 SER HA H 1 4.168 0.01 A 33 SER HBx H 1 3.884 0.005 A 33 SER HBy H 1 4.142 0.001 A 33 SER C C 13 171.437 . A 33 SER CA C 13 54.282 0.052 A 33 SER CB C 13 62.080 0.03 A 33 SER N N 15 118.137 0.024 A 34 ASP H H 1 8.790 0.004 A 34 ASP HA H 1 4.074 0.003 A 34 ASP HBy H 1 2.494 0.003 A 34 ASP HBx H 1 2.486 0.008 A 34 ASP C C 13 176.305 . A 34 ASP CA C 13 55.377 0.047 A 34 ASP CB C 13 36.960 0.005 A 34 ASP N N 15 121.259 0.016 A 35 VAL H H 1 7.794 0.002 A 35 VAL HA H 1 3.497 0.003 A 35 VAL HB H 1 1.691 0.006 A 35 VAL HGx% H 1 0.733 0.001 A 35 VAL HGy% H 1 0.842 0.001 A 35 VAL C C 13 174.814 . A 35 VAL CA C 13 63.236 0.024 A 35 VAL CB C 13 29.363 0.034 A 35 VAL CGx C 13 17.857 0.033 A 35 VAL CGy C 13 19.756 0.013 A 35 VAL N N 15 119.462 0.014 A 36 ASP H H 1 7.511 0.003 A 36 ASP HA H 1 4.279 0.003 A 36 ASP HBy H 1 2.650 0.004 A 36 ASP HBx H 1 2.315 0.003 A 36 ASP C C 13 177.702 . A 36 ASP CA C 13 54.554 0.009 A 36 ASP CB C 13 37.044 0.004 A 36 ASP N N 15 121.543 0.013 A 37 LYS H H 1 8.542 0.002 A 37 LYS HA H 1 3.588 0.002 A 37 LYS HB2 H 1 1.818 0.002 A 37 LYS HDy H 1 1.522 0.023 A 37 LYS HDx H 1 1.409 0.002 A 37 LYS HG2 H 1 0.829 0.003 A 37 LYS C C 13 174.496 . A 37 LYS CA C 13 57.990 0.019 A 37 LYS CB C 13 29.888 . A 37 LYS CD C 13 27.388 . A 37 LYS CG C 13 24.548 . A 37 LYS N N 15 121.843 0.023 A 38 ARG H H 1 7.591 0.003 A 38 ARG HA H 1 3.760 0.003 A 38 ARG HBy H 1 1.807 0.007 A 38 ARG HBx H 1 1.755 0.004 A 38 ARG HDx H 1 2.946 . A 38 ARG HDy H 1 3.009 . A 38 ARG HGy H 1 1.545 . A 38 ARG HGx H 1 1.461 . A 38 ARG C C 13 176.190 . A 38 ARG CA C 13 56.662 . A 38 ARG CB C 13 26.104 . A 38 ARG CD C 13 39.949 0.003 A 38 ARG CG C 13 24.532 . A 38 ARG N N 15 118.495 0.015 A 39 ILE H H 1 7.887 0.002 A 39 ILE HA H 1 3.560 0.006 A 39 ILE HB H 1 1.645 0.005 A 39 ILE HD1% H 1 0.672 0.014 A 39 ILE HG1y H 1 1.573 0.003 A 39 ILE HG1x H 1 0.918 0.003 A 39 ILE HG2% H 1 0.713 0.013 A 39 ILE C C 13 175.705 . A 39 ILE CA C 13 62.211 0.004 A 39 ILE CB C 13 35.593 0.061 A 39 ILE CD1 C 13 10.565 0.018 A 39 ILE CG1 C 13 26.627 0.011 A 39 ILE CG2 C 13 14.052 0.022 A 39 ILE N N 15 120.778 0.017 A 40 ALA H H 1 7.688 0.003 A 40 ALA HA H 1 3.907 0.003 A 40 ALA HB% H 1 1.272 0.006 A 40 ALA C C 13 177.965 . A 40 ALA CA C 13 52.100 0.05 A 40 ALA CB C 13 15.688 0.008 A 40 ALA N N 15 121.774 0.01 A 41 LEU H H 1 8.202 0.003 A 41 LEU HA H 1 3.788 0.008 A 41 LEU HBy H 1 1.836 0.006 A 41 LEU HBx H 1 1.318 0.003 A 41 LEU HDx% H 1 0.728 0.007 A 41 LEU HDy% H 1 0.717 0.001 A 41 LEU HG H 1 1.446 0.003 A 41 LEU C C 13 174.973 . A 41 LEU CA C 13 55.454 0.028 A 41 LEU CB C 13 38.366 0.024 A 41 LEU CD1 C 13 22.283 0.011 A 41 LEU CD2 C 13 22.283 0.011 A 41 LEU N N 15 121.144 0.013 A 42 GLU H H 1 8.122 0.006 A 42 GLU HA H 1 3.731 0.004 A 42 GLU HBy H 1 1.996 0.002 A 42 GLU HBx H 1 1.900 0.004 A 42 GLU HGy H 1 2.305 0.007 A 42 GLU HGx H 1 2.062 0.03 A 42 GLU C C 13 176.729 . A 42 GLU CA C 13 57.146 0.048 A 42 GLU CB C 13 26.240 0.029 A 42 GLU CG C 13 33.787 0.104 A 42 GLU N N 15 118.871 0.013 A 43 ARG H H 1 7.974 0.003 A 43 ARG HA H 1 3.918 0.004 A 43 ARG HB2 H 1 1.762 0.004 A 43 ARG HD2 H 1 3.004 0.003 A 43 ARG HGy H 1 1.616 0.005 A 43 ARG HGx H 1 1.475 0.001 A 43 ARG C C 13 175.763 . A 43 ARG CA C 13 56.414 0.023 A 43 ARG CB C 13 27.276 . A 43 ARG CD C 13 40.636 0.015 A 43 ARG CG C 13 24.402 0.032 A 43 ARG N N 15 118.933 0.019 A 44 TYR H H 1 7.977 0.003 A 44 TYR HA H 1 4.002 0.006 A 44 TYR HBy H 1 3.089 0.004 A 44 TYR HBx H 1 2.930 0.003 A 44 TYR HD1 H 1 6.826 0.004 A 44 TYR HD2 H 1 6.826 0.004 A 44 TYR HE1 H 1 6.504 0.002 A 44 TYR HE2 H 1 6.504 0.002 A 44 TYR C C 13 175.013 . A 44 TYR CA C 13 58.515 0.027 A 44 TYR CB C 13 35.510 0.025 A 44 TYR N N 15 121.528 0.012 A 45 LEU H H 1 8.438 0.003 A 45 LEU HA H 1 3.614 0.003 A 45 LEU HBy H 1 1.753 0.003 A 45 LEU HBx H 1 1.232 0.006 A 45 LEU HDx% H 1 0.704 0.001 A 45 LEU HDy% H 1 0.713 0.002 A 45 LEU HG H 1 1.830 0.003 A 45 LEU C C 13 176.484 . A 45 LEU CA C 13 54.742 0.015 A 45 LEU CB C 13 38.650 0.023 A 45 LEU CDy C 13 23.178 0.002 A 45 LEU CDx C 13 19.637 0.035 A 45 LEU CG C 13 24.076 . A 45 LEU N N 15 119.074 0.012 A 46 GLU H H 1 7.939 0.002 A 46 GLU HA H 1 3.769 0.004 A 46 GLU HBy H 1 1.965 0.003 A 46 GLU HBx H 1 1.858 0.005 A 46 GLU HGy H 1 2.177 0.006 A 46 GLU HGx H 1 2.049 0.004 A 46 GLU C C 13 175.991 . A 46 GLU CA C 13 56.397 0.015 A 46 GLU CB C 13 26.669 0.014 A 46 GLU CG C 13 33.411 . A 46 GLU N N 15 119.014 0.011 A 47 GLU H H 1 7.757 0.003 A 47 GLU HA H 1 3.792 0.003 A 47 GLU HBx H 1 1.819 0.027 A 47 GLU HBy H 1 1.850 . A 47 GLU HGx H 1 2.013 0.003 A 47 GLU HGy H 1 2.139 0.001 A 47 GLU C C 13 175.861 . A 47 GLU CA C 13 55.801 0.034 A 47 GLU CB C 13 26.260 . A 47 GLU CG C 13 33.402 . A 47 GLU N N 15 118.911 0.014 A 48 LYS H H 1 7.711 0.002 A 48 LYS HA H 1 3.716 0.003 A 48 LYS HBx H 1 1.379 0.005 A 48 LYS HBy H 1 1.391 0.006 A 48 LYS HD2 H 1 1.232 0.001 A 48 LYS HG2 H 1 0.927 0.005 A 48 LYS C C 13 176.172 . A 48 LYS CA C 13 54.976 0.012 A 48 LYS CB C 13 29.055 0.001 A 48 LYS CD C 13 25.669 0.011 A 48 LYS CE C 13 39.103 . A 48 LYS CG C 13 21.321 0.016 A 48 LYS N N 15 119.567 0.029 A 49 ILE H H 1 7.706 0.003 A 49 ILE HA H 1 3.664 0.002 A 49 ILE HB H 1 1.744 0.001 A 49 ILE HD1% H 1 0.623 0.006 A 49 ILE HG1y H 1 1.395 0.002 A 49 ILE HG1x H 1 0.961 0.006 A 49 ILE HG2% H 1 0.686 0.003 A 49 ILE C C 13 175.404 . A 49 ILE CA C 13 60.618 0.037 A 49 ILE CB C 13 35.160 0.023 A 49 ILE CD1 C 13 10.131 0.021 A 49 ILE CG1 C 13 25.823 0.012 A 49 ILE CG2 C 13 14.592 0.03 A 49 ILE N N 15 119.548 0.008 A 50 ARG H H 1 7.850 0.003 A 50 ARG HA H 1 3.921 0.004 A 50 ARG HB2 H 1 1.668 0.003 A 50 ARG HD2 H 1 2.964 0.005 A 50 ARG HGy H 1 1.498 0.003 A 50 ARG HGx H 1 1.408 0.002 A 50 ARG C C 13 174.964 . A 50 ARG CA C 13 55.256 0.006 A 50 ARG CB C 13 27.521 0.008 A 50 ARG CD C 13 40.512 0.011 A 50 ARG CG C 13 24.630 . A 50 ARG N N 15 120.898 0.019 A 51 SER H H 1 7.938 0.003 A 51 SER HA H 1 4.148 0.001 A 51 SER HBy H 1 3.732 0.007 A 51 SER HBx H 1 3.692 0.004 A 51 SER C C 13 172.480 . A 51 SER CA C 13 56.666 0.011 A 51 SER CB C 13 60.850 0.019 A 51 SER N N 15 113.995 0.009 A 52 GLY H H 1 7.825 0.005 A 52 GLY HA2 H 1 3.706 0.007 A 52 GLY C C 13 171.142 . A 52 GLY CA C 13 42.591 . A 52 GLY N N 15 109.741 0.006 A 53 PHE H H 1 7.836 0.001 A 53 PHE HA H 1 4.352 0.002 A 53 PHE HB2 H 1 2.844 0.005 A 53 PHE HD1 H 1 7.027 0.001 A 53 PHE HD2 H 1 7.027 0.001 A 53 PHE HE1 H 1 7.079 . A 53 PHE HE2 H 1 7.079 . A 53 PHE C C 13 173.061 . A 53 PHE CA C 13 55.222 0.025 A 53 PHE CB C 13 36.569 0.012 A 53 PHE N N 15 119.983 0.005 A 54 LYS H H 1 8.105 0.002 A 54 LYS HA H 1 4.037 0.001 A 54 LYS HB2 H 1 1.590 0.001 A 54 LYS HB3 H 1 1.590 . A 54 LYS HDy H 1 1.479 . A 54 LYS HDx H 1 1.434 . A 54 LYS HE2 H 1 2.761 . A 54 LYS HE3 H 1 2.761 . A 54 LYS HGy H 1 1.180 . A 54 LYS HGx H 1 1.134 . A 54 LYS C C 13 174.023 . A 54 LYS CA C 13 53.499 0.045 A 54 LYS CB C 13 30.071 . A 54 LYS CD C 13 26.161 . A 54 LYS CE C 13 39.300 . A 54 LYS CG C 13 21.812 . A 54 LYS N N 15 123.359 0.024 A 55 GLY H H 1 7.626 0.002 A 55 GLY HA2 H 1 3.662 0.004 A 55 GLY HA3 H 1 3.662 0.004 A 55 GLY C C 13 170.979 . A 55 GLY CA C 13 42.548 . A 55 GLY N N 15 109.068 0.005 A 56 ASP H H 1 8.083 0.005 A 56 ASP HA H 1 4.375 0.004 A 56 ASP HBx H 1 2.451 0.006 A 56 ASP HBy H 1 2.504 0.003 A 56 ASP C C 13 173.744 . A 56 ASP CA C 13 51.535 . A 56 ASP CB C 13 38.455 0.007 A 56 ASP N N 15 120.522 0.015 A 57 ALA H H 1 8.175 0.002 A 57 ALA HA H 1 4.003 0.002 A 57 ALA HB% H 1 1.155 0.003 A 57 ALA C C 13 175.216 . A 57 ALA CA C 13 50.365 0.012 A 57 ALA CB C 13 16.073 0.021 A 57 ALA N N 15 124.412 0.006 A 58 GLN H H 1 8.120 0.007 A 58 GLN HA H 1 3.950 0.002 A 58 GLN HBx H 1 1.652 0.002 A 58 GLN HBy H 1 1.700 0.002 A 58 GLN HG2 H 1 1.905 0.003 A 58 GLN C C 13 173.163 . A 58 GLN CA C 13 53.413 0.018 A 58 GLN CB C 13 26.251 0.014 A 58 GLN CG C 13 30.821 . A 58 GLN N N 15 117.943 0.01 A 59 PHE H H 1 7.932 0.005 A 59 PHE HA H 1 4.347 0.002 A 59 PHE HBy H 1 2.969 0.003 A 59 PHE HBx H 1 2.797 0.001 A 59 PHE HD1 H 1 7.023 0.004 A 59 PHE HD2 H 1 7.023 0.004 A 59 PHE HE1 H 1 7.088 0.001 A 59 PHE HE2 H 1 7.088 0.001 A 59 PHE C C 13 173.575 . A 59 PHE CA C 13 55.341 . A 59 PHE CB C 13 36.667 0.035 A 59 PHE N N 15 119.838 0.008 A 60 GLY H H 1 8.123 0.002 A 60 GLY HAx H 1 3.680 0.006 A 60 GLY HAy H 1 3.689 0.007 A 60 GLY C C 13 171.386 . A 60 GLY CA C 13 42.559 . A 60 GLY N N 15 109.820 0.035 A 61 LYS H H 1 7.968 0.001 A 61 LYS HA H 1 3.960 0.001 A 61 LYS HB2 H 1 1.596 0.003 A 61 LYS HD2 H 1 1.464 . A 61 LYS HE2 H 1 2.767 0.001 A 61 LYS HGy H 1 1.250 0.012 A 61 LYS HGx H 1 1.166 0.003 A 61 LYS C C 13 174.728 . A 61 LYS CA C 13 54.728 . A 61 LYS CB C 13 30.089 . A 61 LYS CD C 13 26.356 . A 61 LYS CE C 13 39.319 . A 61 LYS CG C 13 21.990 0.015 A 61 LYS N N 15 120.832 0.006 A 62 LYS H H 1 8.159 0.003 A 62 LYS HA H 1 3.989 . A 62 LYS HB2 H 1 1.579 . A 62 LYS HD2 H 1 1.454 . A 62 LYS HE2 H 1 2.763 0.001 A 62 LYS HGy H 1 1.268 . A 62 LYS HGx H 1 1.199 . A 62 LYS C C 13 174.525 . A 62 LYS CA C 13 54.480 . A 62 LYS CB C 13 29.657 . A 62 LYS CD C 13 26.175 . A 62 LYS CE C 13 39.311 . A 62 LYS CG C 13 22.065 . A 62 LYS N N 15 121.242 0.003 A 63 ALA H H 1 8.012 0.002 A 63 ALA HA H 1 3.966 0.001 A 63 ALA HB% H 1 1.139 0.001 A 63 ALA C C 13 176.064 . A 63 ALA CA C 13 50.576 . A 63 ALA CB C 13 15.908 . A 63 ALA N N 15 124.167 0.005 A 64 LEU H H 1 7.976 0.005 A 64 LEU HA H 1 3.953 0.005 A 64 LEU HBy H 1 1.500 0.007 A 64 LEU HBx H 1 1.359 . A 64 LEU HDx% H 1 0.652 . A 64 LEU HDy% H 1 0.683 0.011 A 64 LEU HG H 1 1.466 0.002 A 64 LEU C C 13 175.684 . A 64 LEU CA C 13 53.481 0.01 A 64 LEU CB C 13 39.103 0.007 A 64 LEU CDx C 13 20.664 0.006 A 64 LEU CDy C 13 22.155 0.014 A 64 LEU CG C 13 24.205 0.005 A 64 LEU N N 15 120.341 0.008 A 65 GLU H H 1 8.092 0.003 A 65 GLU HA H 1 3.950 0.004 A 65 GLU HBx H 1 1.821 0.003 A 65 GLU HBy H 1 1.968 0.002 A 65 GLU HGx H 1 2.011 0.004 A 65 GLU HGy H 1 2.136 0.002 A 65 GLU C C 13 174.622 . A 65 GLU CA C 13 54.682 0.08 A 65 GLU CB C 13 26.872 0.158 A 65 GLU CG C 13 33.488 0.038 A 65 GLU N N 15 120.942 0.014 A 66 GLN H H 1 8.091 0.004 A 66 GLN HA H 1 4.013 0.002 A 66 GLN HBy H 1 1.884 0.003 A 66 GLN HBx H 1 1.831 0.003 A 66 GLN HG2 H 1 2.177 0.001 A 66 GLN C C 13 173.965 . A 66 GLN CA C 13 53.915 . A 66 GLN CB C 13 26.230 0.001 A 66 GLN CG C 13 30.948 . A 66 GLN N N 15 120.476 0.002 A 67 ARG H H 1 8.035 0.001 A 67 ARG HA H 1 3.970 . A 67 ARG HBy H 1 1.658 0.002 A 67 ARG HBx H 1 1.595 0.005 A 67 ARG HD2 H 1 2.950 . A 67 ARG HG2 H 1 1.447 0.002 A 67 ARG C C 13 173.749 . A 67 ARG CA C 13 54.280 . A 67 ARG CB C 13 27.635 0.029 A 67 ARG CD C 13 40.574 . A 67 ARG CG C 13 24.225 . A 67 ARG N N 15 121.250 0.008 A 68 ALA H H 1 8.009 0.001 A 68 ALA HA H 1 3.997 0.002 A 68 ALA HB% H 1 1.199 0.001 A 68 ALA C C 13 175.527 . A 68 ALA CA C 13 50.368 0.012 A 68 ALA CB C 13 16.018 0.01 A 68 ALA N N 15 123.389 0.007 A 69 LYS H H 1 7.911 0.002 A 69 LYS HA H 1 3.983 . A 69 LYS HB2 H 1 1.628 0.023 A 69 LYS HD2 H 1 1.468 . A 69 LYS HE2 H 1 2.762 . A 69 LYS HGy H 1 1.299 . A 69 LYS HGx H 1 1.183 . A 69 LYS C C 13 174.299 . A 69 LYS CA C 13 54.325 . A 69 LYS CB C 13 30.045 . A 69 LYS CD C 13 26.328 . A 69 LYS CE C 13 39.348 . A 69 LYS CG C 13 22.189 . A 69 LYS N N 15 119.870 0.008 A 70 ILE H H 1 7.866 0.003 A 70 ILE HA H 1 3.833 0.002 A 70 ILE HB H 1 1.657 0.004 A 70 ILE HD1% H 1 0.639 0.008 A 70 ILE HG12 H 1 1.311 0.004 A 70 ILE HG2% H 1 0.670 0.004 A 70 ILE C C 13 173.667 . A 70 ILE CA C 13 58.806 0.048 A 70 ILE CB C 13 35.515 0.028 A 70 ILE CD1 C 13 9.989 . A 70 ILE CG1 C 13 24.874 0.052 A 70 ILE CG2 C 13 14.665 0.008 A 70 ILE N N 15 121.689 0.017 A 71 LEU H H 1 8.077 0.002 A 71 LEU HA H 1 4.077 0.002 A 71 LEU HBx H 1 1.330 0.004 A 71 LEU HBy H 1 1.444 0.003 A 71 LEU HDx% H 1 0.633 0.001 A 71 LEU HDy% H 1 0.692 0.004 A 71 LEU HG H 1 1.433 0.001 A 71 LEU C C 13 174.411 . A 71 LEU CA C 13 52.544 0.016 A 71 LEU CB C 13 39.295 0.012 A 71 LEU CDx C 13 20.668 . A 71 LEU CDy C 13 22.160 . A 71 LEU CG C 13 24.201 . A 71 LEU N N 15 125.382 0.009 A 72 LYS H H 1 7.981 0.003 A 72 LYS HA H 1 4.067 . A 72 LYS HB2 H 1 1.575 0.006 A 72 LYS HD2 H 1 1.461 . A 72 LYS HE2 H 1 2.763 . A 72 LYS HGy H 1 1.255 . A 72 LYS HGx H 1 1.168 . A 72 LYS C C 13 173.789 . A 72 LYS CA C 13 53.757 . A 72 LYS CB C 13 30.032 . A 72 LYS CD C 13 26.259 . A 72 LYS CG C 13 22.008 0.015 A 72 LYS N N 15 122.192 0.008 A 73 VAL H H 1 7.968 0.004 A 73 VAL HA H 1 3.802 0.007 A 73 VAL HB H 1 1.850 0.002 A 73 VAL HGx% H 1 0.745 0.002 A 73 VAL HGy% H 1 0.690 0.002 A 73 VAL C C 13 173.662 . A 73 VAL CA C 13 60.174 0.051 A 73 VAL CB C 13 29.765 0.028 A 73 VAL CGx C 13 18.206 . A 73 VAL CGy C 13 18.434 . A 73 VAL N N 15 122.356 0.023 A 74 ILE H H 1 8.082 0.002 A 74 ILE HA H 1 3.881 0.003 A 74 ILE HB H 1 1.640 0.006 A 74 ILE HD1% H 1 0.629 . A 74 ILE HG12 H 1 1.119 . A 74 ILE HG2% H 1 0.665 0.003 A 74 ILE C C 13 173.240 . A 74 ILE CA C 13 58.553 0.001 A 74 ILE CB C 13 35.702 0.061 A 74 ILE CD1 C 13 10.101 . A 74 ILE CG1 C 13 24.595 . A 74 ILE CG2 C 13 14.603 . A 74 ILE N N 15 124.593 0.01 A 75 ASP H H 1 8.215 0.002 A 75 ASP HA H 1 4.360 0.002 A 75 ASP HBy H 1 2.500 0.002 A 75 ASP HBx H 1 2.386 0.003 A 75 ASP C C 13 173.648 . A 75 ASP CA C 13 51.664 . A 75 ASP CB C 13 38.373 . A 75 ASP N N 15 124.492 0.01 A 76 LYS H H 1 8.128 0.003 A 76 LYS HA H 1 4.023 0.001 A 76 LYS HBx H 1 1.562 0.001 A 76 LYS HBy H 1 1.655 0.004 A 76 LYS HD2 H 1 1.471 . A 76 LYS HE2 H 1 2.785 . A 76 LYS HGx H 1 1.208 . A 76 LYS HGy H 1 1.257 . A 76 LYS C C 13 174.072 . A 76 LYS CA C 13 53.811 . A 76 LYS CB C 13 29.930 . A 76 LYS CD C 13 26.226 . A 76 LYS CE C 13 39.264 . A 76 LYS CG C 13 21.981 0.015 A 76 LYS N N 15 122.158 0.007 A 77 GLN H H 1 8.215 0.001 A 77 GLN HA H 1 4.054 0.002 A 77 GLN HBy H 1 1.901 0.001 A 77 GLN HBx H 1 1.811 0.004 A 77 GLN HGy H 1 2.161 0.001 A 77 GLN HGx H 1 2.157 0.003 A 77 GLN C C 13 173.284 . A 77 GLN CA C 13 53.247 0.002 A 77 GLN CB C 13 26.301 . A 77 GLN CG C 13 31.025 . A 77 GLN N N 15 120.468 0.008 A 78 LYS H H 1 8.116 0.001 A 78 LYS HA H 1 4.131 0.004 A 78 LYS HBy H 1 1.662 . A 78 LYS HBx H 1 1.564 . A 78 LYS HD2 H 1 1.468 . A 78 LYS HE2 H 1 2.779 . A 78 LYS HGx H 1 1.215 . A 78 LYS HGy H 1 1.264 . A 78 LYS C C 13 173.961 . A 78 LYS CA C 13 53.520 . A 78 LYS CB C 13 30.362 . A 78 LYS CD C 13 26.239 . A 78 LYS CE C 13 39.302 . A 78 LYS CG C 13 21.944 . A 78 LYS N N 15 122.146 0.015 A 79 GLY H H 1 8.091 . A 79 GLY HAx H 1 3.866 . A 79 GLY HAy H 1 3.914 0.004 A 79 GLY C C 13 168.980 . A 79 GLY CA C 13 41.787 0.018 A 79 GLY N N 15 109.938 0.005 A 80 PRO HA H 1 4.196 0.002 A 80 PRO HBy H 1 2.014 0.003 A 80 PRO HBx H 1 1.610 0.002 A 80 PRO HD2 H 1 3.391 0.001 A 80 PRO HD3 H 1 3.391 . A 80 PRO HGy H 1 1.778 . A 80 PRO HGx H 1 1.665 . A 80 PRO C C 13 174.109 . A 80 PRO CA C 13 60.431 0.001 A 80 PRO CB C 13 29.273 0.009 A 80 PRO CD C 13 46.922 . A 80 PRO CG C 13 24.233 . A 81 HIS H H 1 8.284 0.001 A 81 HIS HA H 1 4.366 0.003 A 81 HIS HB2 H 1 2.878 . A 81 HIS HB3 H 1 2.879 0.001 A 81 HIS C C 13 172.358 . A 81 HIS CA C 13 53.361 . A 81 HIS CB C 13 27.771 . A 81 HIS N N 15 120.044 0.019 A 82 LYS H H 1 8.034 . A 82 LYS HA H 1 4.057 . A 82 LYS HB2 H 1 1.564 . A 82 LYS HB3 H 1 1.564 . A 82 LYS HD2 H 1 1.471 . A 82 LYS HD3 H 1 1.471 . A 82 LYS HE2 H 1 2.769 . A 82 LYS HE3 H 1 2.771 0.001 A 82 LYS HG2 H 1 1.159 . A 82 LYS HG3 H 1 1.159 . A 82 LYS C C 13 172.957 . A 82 LYS CA C 13 53.091 . A 82 LYS CB C 13 30.337 . A 82 LYS CD C 13 26.225 . A 82 LYS CE C 13 39.320 . A 82 LYS CG C 13 21.683 . A 82 LYS N N 15 123.552 0.007 A 83 ALA H H 1 8.258 . A 83 ALA HA H 1 4.066 0.001 A 83 ALA HB% H 1 1.183 0.001 A 83 ALA C C 13 173.999 . A 83 ALA CA C 13 49.798 0.01 A 83 ALA CB C 13 16.373 . A 83 ALA N N 15 126.536 0.008 A 84 ARG H H 1 7.810 0.002 A 84 ARG C C 13 178.310 . A 84 ARG CA C 13 54.613 . A 84 ARG CB C 13 28.513 . A 84 ARG N N 15 125.395 0.008 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 14 ASN H A 13 VAL HGx% 1.0 . 4.92 2 1 A 13 VAL HGy% A 14 ASN H 1.0 . 4.92 3 2 A 44 TYR HBx A 45 LEU H 1.0 . 5.03 4 3 A 45 LEU H A 44 TYR HBy 1.0 . 5.03 5 4 A 75 ASP HBx A 76 LYS H 1.0 . 5.40 6 5 A 76 LYS H A 75 ASP HBy 1.0 . 5.40 7 6 A 30 ALA H A 29 PRO HBx 1.0 . 4.23 8 7 A 30 ALA H A 29 PRO HBy 1.0 . 4.23 9 8 A 30 ALA H A 29 PRO HA 1.0 . 3.47 10 9 A 15 GLU H A 14 ASN HBx 1.0 . 5.42 11 10 A 15 GLU H A 14 ASN HBy 1.0 . 5.42 12 11 A 36 ASP HBx A 37 LYS H 1.0 . 5.37 13 12 A 37 LYS H A 36 ASP HBy 1.0 . 5.37 14 13 A 16 ASP H A 15 GLU HBy 1.0 . 4.64 15 14 A 16 ASP H A 15 GLU HBx 1.0 . 4.64 16 15 A 18 LEU HG A 19 ILE H 1.0 . 5.30 17 16 A 19 ILE H A 18 LEU HDx% 1.0 . 4.52 18 17 A 19 ILE H A 18 LEU HDy% 1.0 . 4.52 19 18 A 49 ILE H A 48 LYS HBx 1.0 . 3.68 20 18 A 48 LYS HBy A 49 ILE H 1.0 . 3.68 21 19 A 35 VAL H A 34 ASP HBy 1.0 . 4.28 22 19 A 34 ASP HBx A 35 VAL H 1.0 . 4.28 23 20 A 35 VAL HB A 36 ASP H 1.0 . 4.32 24 21 A 36 ASP H A 35 VAL HGx% 1.0 . 4.42 25 22 A 76 LYS HBy A 77 GLN H 1.0 . 5.80 26 23 A 77 GLN H A 76 LYS HBx 1.0 . 5.80 27 24 A 12 VAL HB A 13 VAL H 1.0 . 4.13 28 25 A 13 VAL H A 12 VAL HGx% 1.0 . 3.77 29 25 A 13 VAL H A 12 VAL HGy% 1.0 . 3.77 30 26 A 47 GLU H A 46 GLU HBy 1.0 . 4.51 31 27 A 47 GLU H A 46 GLU HBx 1.0 . 4.51 32 28 A 83 ALA HB% A 84 ARG H 1.0 . 5.91 33 29 A 74 ILE HB A 75 ASP H 1.0 . 4.82 34 30 A 75 ASP H A 74 ILE HG2% 1.0 . 4.68 35 31 A 18 LEU H A 17 LYS HGx 1.0 . 6.07 36 32 A 18 LEU H A 17 LYS HGy 1.0 . 6.07 37 33 A 18 LEU H A 17 LYS HBy 1.0 . 4.01 38 33 A 18 LEU H A 17 LYS HBx 1.0 . 4.01 39 34 A 8 ILE HB A 9 ASP H 1.0 . 4.74 40 35 A 57 ALA H A 56 ASP HBy 1.0 . 4.87 41 36 A 9 ASP H A 8 ILE HG1x 1.0 . 5.68 42 37 A 9 ASP H A 8 ILE HG1y 1.0 . 5.68 43 38 A 9 ASP H A 8 ILE HD1% 1.0 . 4.41 44 39 A 2 ALA HB% A 3 MET H 1.0 . 6.24 45 40 A 62 LYS H A 61 LYS HGx 1.0 . 5.07 46 41 A 62 LYS H A 61 LYS HGy 1.0 . 5.07 47 42 A 42 GLU HBy A 43 ARG H 1.0 . 4.67 48 43 A 5 GLN HBy A 6 THR H 1.0 . 5.81 49 44 A 6 THR H A 5 GLN HBx 1.0 . 5.81 50 45 A 67 ARG H A 66 GLN HBx 1.0 . 4.87 51 46 A 9 ASP HBx A 10 LEU H 1.0 . 5.48 52 47 A 10 LEU H A 9 ASP HBy 1.0 . 5.48 53 48 A 59 PHE HBx A 60 GLY H 1.0 . 5.57 54 49 A 60 GLY H A 59 PHE HBy 1.0 . 5.57 55 50 A 19 ILE HB A 20 GLU H 1.0 . 4.49 56 51 A 25 THR HG2% A 26 GLY H 1.0 . 5.28 57 52 A 26 GLY H A 25 THR HB 1.0 . 5.62 58 53 A 73 VAL HB A 74 ILE H 1.0 . 5.02 59 54 A 74 ILE H A 73 VAL HGy% 1.0 . 5.15 60 55 A 74 ILE H A 73 VAL HGx% 1.0 . 5.15 61 56 A 40 ALA HB% A 41 LEU H 1.0 . 3.87 62 57 A 65 GLU H A 64 LEU HBx 1.0 . 4.82 63 58 A 65 GLU H A 64 LEU HBy 1.0 . 4.82 64 59 A 49 ILE HB A 50 ARG H 1.0 . 4.40 65 60 A 82 LYS H A 81 HIS HB2 1.0 . 7.50 66 60 A 81 HIS HB3 A 82 LYS H 1.0 . 7.50 67 61 A 78 LYS H A 77 GLN HGy 1.0 . 6.08 68 61 A 77 GLN HGx A 78 LYS H 1.0 . 6.08 69 62 A 57 ALA HB% A 58 GLN H 1.0 . 4.52 70 63 A 63 ALA HB% A 64 LEU H 1.0 . 4.25 71 64 A 83 ALA H A 82 LYS HG2 1.0 . 5.33 72 64 A 82 LYS HG3 A 83 ALA H 1.0 . 5.33 73 65 A 32 ALA H A 31 ASP HBx 1.0 . 5.66 74 66 A 32 ALA H A 31 ASP HBy 1.0 . 5.66 75 67 A 68 ALA H A 67 ARG HBy 1.0 . 4.93 76 68 A 68 ALA H A 67 ARG HBx 1.0 . 4.93 77 69 A 39 ILE H A 38 ARG HBy 1.0 . 4.71 78 70 A 38 ARG H A 37 LYS HDx 1.0 . 4.99 79 71 A 39 ILE HB A 40 ALA H 1.0 . 4.40 80 72 A 42 GLU H A 41 LEU HBx 1.0 . 4.94 81 73 A 42 GLU H A 41 LEU HBy 1.0 . 4.94 82 74 A 11 GLY H A 10 LEU HDx% 1.0 . 5.64 83 75 A 11 GLY H A 10 LEU HDy% 1.0 . 5.64 84 76 A 71 LEU HBy A 72 LYS H 1.0 . 5.39 85 77 A 72 LYS H A 71 LEU HBx 1.0 . 5.39 86 78 A 72 LYS H A 71 LEU HDx% 1.0 . 5.57 87 79 A 72 LYS H A 71 LEU HDy% 1.0 . 5.57 88 80 A 70 ILE HB A 71 LEU H 1.0 . 4.81 89 81 A 71 LEU H A 70 ILE HG2% 1.0 . 3.91 90 82 A 28 ILE H A 27 GLN HGx 1.0 . 5.40 91 83 A 28 ILE H A 27 GLN HGy 1.0 . 5.40 92 84 A 28 ILE H A 27 GLN HBy 1.0 . 5.02 93 85 A 17 LYS H A 16 ASP HBy 1.0 . 4.73 94 86 A 20 GLU H A 19 ILE HD1% 1.0 . 5.22 95 87 A 28 ILE H A 27 GLN HBx 1.0 . 5.02 96 88 A 39 ILE H A 38 ARG HBx 1.0 . 4.71 97 89 A 43 ARG H A 42 GLU HBx 1.0 . 4.67 98 90 A 50 ARG H A 49 ILE HD1% 1.0 . 5.35 99 91 A 57 ALA H A 56 ASP HBx 1.0 . 4.87 100 92 A 67 ARG H A 66 GLN HBy 1.0 . 4.87 101 93 A 71 LEU H A 70 ILE HD1% 1.0 . 4.80 102 94 A 4 ALA H A 4 ALA HB% 1.0 . 4.02 103 95 A 71 LEU H A 70 ILE H 1.0 . 4.53 104 96 A 75 ASP H A 74 ILE H 1.0 . 4.63 105 97 A 74 ILE H A 73 VAL H 1.0 . 4.32 106 98 A 9 ASP H A 10 LEU H 1.0 . 4.62 107 99 A 9 ASP H A 9 ASP HBy 1.0 . 4.18 108 100 A 10 LEU H A 10 LEU HDx% 1.0 . 4.96 109 101 A 21 MET H A 22 LEU H 1.0 . 4.45 110 102 A 22 LEU H A 19 ILE HA 1.0 . 5.47 111 103 A 22 LEU H A 22 LEU HDx% 1.0 . 4.43 112 104 A 53 PHE H A 54 LYS H 1.0 . 5.04 113 105 A 54 LYS H A 55 GLY H 1.0 . 5.74 114 106 A 14 ASN H A 13 VAL H 1.0 . 4.89 115 107 A 15 GLU H A 16 ASP H 1.0 . 4.36 116 108 A 24 ARG H A 25 THR H 1.0 . 4.57 117 109 A 24 ARG H A 21 MET HA 1.0 . 5.22 118 110 A 24 ARG H A 20 GLU HA 1.0 . 5.26 119 111 A 25 THR HG2% A 24 ARG H 1.0 . 5.58 120 112 A 73 VAL HB A 73 VAL H 1.0 . 4.18 121 113 A 73 VAL H A 73 VAL HGy% 1.0 . 4.06 122 114 A 14 ASN H A 15 GLU H 1.0 . 5.69 123 115 A 19 ILE H A 18 LEU H 1.0 . 4.43 124 116 A 16 ASP H A 18 LEU H 1.0 . 5.60 125 117 A 37 LYS H A 36 ASP H 1.0 . 4.44 126 118 A 18 LEU H A 15 GLU HA 1.0 . 5.12 127 119 A 29 PRO HA A 32 ALA H 1.0 . 5.92 128 120 A 37 LYS H A 34 ASP HA 1.0 . 5.15 129 121 A 40 ALA H A 38 ARG HA 1.0 . 5.43 130 122 A 32 ALA H A 30 ALA HA 1.0 . 5.38 131 123 A 37 LYS H A 37 LYS HDy 1.0 . 4.64 132 124 A 37 LYS H A 37 LYS HDx 1.0 . 4.64 133 125 A 40 ALA HB% A 40 ALA H 1.0 . 3.48 134 126 A 37 LYS H A 32 ALA HB% 1.0 . 5.07 135 127 A 40 ALA H A 28 ILE HD1% 1.0 . 5.14 136 128 A 32 ALA H A 28 ILE HD1% 1.0 . 5.27 137 129 A 40 ALA H A 36 ASP HA 1.0 . 5.70 138 130 A 70 ILE HG2% A 70 ILE H 1.0 . 4.62 139 131 A 36 ASP H A 33 SER H 1.0 . 5.26 140 132 A 36 ASP H A 34 ASP H 1.0 . 5.96 141 133 A 44 TYR H A 44 TYR HD% 1.0 . 4.80 142 134 A 36 ASP H A 33 SER HA 1.0 . 5.12 143 135 A 36 ASP H A 34 ASP HA 1.0 . 5.36 144 136 A 44 TYR H A 41 LEU HA 1.0 . 4.86 145 137 A 36 ASP H A 32 ALA HB% 1.0 . 5.34 146 138 A 35 VAL H A 34 ASP H 1.0 . 4.50 147 139 A 34 ASP H A 34 ASP HBy 1.0 . 4.20 148 139 A 34 ASP HBx A 34 ASP H 1.0 . 4.20 149 140 A 41 LEU H A 40 ALA H 1.0 . 4.35 150 141 A 41 LEU H A 39 ILE HA 1.0 . 5.57 151 142 A 41 LEU H A 39 ILE HB 1.0 . 5.65 152 143 A 41 LEU H A 41 LEU HG 1.0 . 4.37 153 144 A 41 LEU H A 41 LEU HDx% 1.0 . 4.34 154 145 A 9 ASP H A 8 ILE H 1.0 . 4.34 155 146 A 8 ILE H A 8 ILE HG1y 1.0 . 4.27 156 147 A 8 ILE HD1% A 8 ILE H 1.0 . 4.28 157 148 A 65 GLU H A 64 LEU H 1.0 . 4.15 158 149 A 65 GLU H A 65 GLU HGy 1.0 . 4.85 159 150 A 65 GLU H A 65 GLU HGx 1.0 . 4.85 160 151 A 65 GLU H A 63 ALA HB% 1.0 . 5.45 161 152 A 24 ARG H A 23 VAL H 1.0 . 4.30 162 153 A 49 ILE H A 50 ARG H 1.0 . 4.29 163 154 A 21 MET HA A 23 VAL H 1.0 . 5.69 164 155 A 50 ARG H A 47 GLU HA 1.0 . 5.14 165 156 A 20 GLU HA A 23 VAL H 1.0 . 5.01 166 157 A 61 LYS H A 61 LYS HGx 1.0 . 5.82 167 158 A 61 LYS H A 61 LYS HGy 1.0 . 5.82 168 159 A 62 LYS H A 61 LYS H 1.0 . 4.57 169 160 A 39 ILE H A 40 ALA H 1.0 . 4.35 170 161 A 39 ILE H A 36 ASP HA 1.0 . 5.02 171 162 A 39 ILE H A 39 ILE HB 1.0 . 4.05 172 163 A 40 ALA HB% A 39 ILE H 1.0 . 5.47 173 164 A 39 ILE H A 39 ILE HG2% 1.0 . 4.08 174 165 A 20 GLU H A 21 MET H 1.0 . 4.47 175 166 A 19 ILE H A 17 LYS H 1.0 . 5.46 176 167 A 18 LEU HG A 17 LYS H 1.0 . 5.04 177 168 A 17 LYS H A 17 LYS HGx 1.0 . 4.87 178 169 A 17 LYS H A 17 LYS HGy 1.0 . 4.87 179 170 A 53 PHE H A 53 PHE HD% 1.0 . 5.11 180 171 A 58 GLN H A 59 PHE H 1.0 . 4.19 181 172 A 59 PHE H A 59 PHE HD% 1.0 . 5.12 182 173 A 4 ALA HB% A 5 GLN H 1.0 . 5.08 183 174 A 19 ILE H A 16 ASP HA 1.0 . 5.15 184 175 A 44 TYR HA A 48 LYS H 1.0 . 5.63 185 176 A 19 ILE H A 15 GLU HA 1.0 . 5.80 186 177 A 19 ILE H A 19 ILE HB 1.0 . 4.07 187 178 A 49 ILE H A 49 ILE HB 1.0 . 4.09 188 179 A 35 VAL H A 36 ASP H 1.0 . 4.23 189 180 A 35 VAL H A 33 SER HA 1.0 . 4.64 190 181 A 10 LEU HA A 12 VAL H 1.0 . 5.75 191 182 A 13 VAL H A 12 VAL H 1.0 . 4.40 192 183 A 45 LEU H A 44 TYR H 1.0 . 4.31 193 184 A 45 LEU H A 46 GLU H 1.0 . 4.63 194 185 A 45 LEU H A 42 GLU HA 1.0 . 5.14 195 186 A 43 ARG H A 42 GLU H 1.0 . 4.30 196 187 A 47 GLU H A 46 GLU H 1.0 . 4.33 197 188 A 43 ARG H A 40 ALA H 1.0 . 5.60 198 189 A 47 GLU H A 44 TYR HA 1.0 . 5.39 199 190 A 42 GLU H A 40 ALA HA 1.0 . 5.46 200 191 A 47 GLU H A 43 ARG HA 1.0 . 5.55 201 192 A 42 GLU H A 39 ILE HA 1.0 . 5.12 202 193 A 39 ILE HB A 42 GLU H 1.0 . 6.01 203 194 A 43 ARG H A 43 ARG HGx 1.0 . 4.90 204 195 A 43 ARG H A 43 ARG HGy 1.0 . 4.90 205 196 A 42 GLU H A 41 LEU HG 1.0 . 5.26 206 197 A 43 ARG H A 40 ALA HB% 1.0 . 5.88 207 198 A 25 THR H A 27 GLN H 1.0 . 5.63 208 199 A 40 ALA H A 42 GLU H 1.0 . 5.65 209 200 A 28 ILE H A 27 GLN H 1.0 . 3.89 210 201 A 27 GLN H A 27 GLN HGy 1.0 . 4.50 211 202 A 25 THR HG2% A 27 GLN H 1.0 . 5.39 212 203 A 6 THR H A 6 THR HG2% 1.0 . 4.79 213 204 A 37 LYS H A 38 ARG H 1.0 . 4.39 214 205 A 41 LEU H A 38 ARG H 1.0 . 6.01 215 206 A 39 ILE H A 38 ARG H 1.0 . 4.41 216 207 A 38 ARG H A 35 VAL HA 1.0 . 5.08 217 208 A 38 ARG H A 37 LYS HDy 1.0 . 4.99 218 209 A 38 ARG H A 36 ASP HA 1.0 . 5.88 219 210 A 38 ARG H A 34 ASP HA 1.0 . 5.41 220 211 A 33 SER H A 34 ASP H 1.0 . 5.80 221 212 A 32 ALA H A 33 SER H 1.0 . 5.34 222 213 A 18 LEU H A 20 GLU H 1.0 . 5.59 223 214 A 19 ILE H A 20 GLU H 1.0 . 4.43 224 215 A 16 ASP H A 17 LYS H 1.0 . 4.16 225 216 A 16 ASP H A 14 ASN HA 1.0 . 5.09 226 217 A 20 GLU H A 16 ASP HA 1.0 . 5.73 227 218 A 20 GLU H A 18 LEU HA 1.0 . 4.71 228 219 A 28 ILE H A 22 LEU HDx% 1.0 . 5.71 229 220 A 26 GLY H A 28 ILE H 1.0 . 5.24 230 221 A 48 LYS HA A 51 SER H 1.0 . 4.10 231 222 A 30 ALA H A 31 ASP H 1.0 . 4.29 232 223 A 32 ALA H A 31 ASP H 1.0 . 4.08 233 224 A 29 PRO HA A 31 ASP H 1.0 . 5.12 234 225 A 31 ASP H A 29 PRO HBy 1.0 . 4.74 235 226 A 60 GLY H A 59 PHE H 1.0 . 4.85 236 227 A 51 SER H A 52 GLY H 1.0 . 4.20 237 228 A 26 GLY H A 27 GLN H 1.0 . 4.22 238 229 A 26 GLY H A 25 THR H 1.0 . 4.22 239 230 A 26 GLY H A 23 VAL HA 1.0 . 5.20 240 231 A 55 GLY H A 56 ASP H 1.0 . 5.23 241 232 A 11 GLY H A 12 VAL H 1.0 . 4.33 242 233 A 11 GLY H A 9 ASP HA 1.0 . 5.33 243 234 A 25 THR H A 21 MET HA 1.0 . 5.54 244 235 A 25 THR H A 22 LEU HA 1.0 . 5.18 245 236 A 25 THR HG2% A 25 THR H 1.0 . 4.14 246 237 A 18 LEU H A 17 LYS H 1.0 . 4.24 247 238 A 21 MET H A 19 ILE HG2% 1.0 . 5.53 248 239 A 26 GLY H A 24 ARG H 1.0 . 5.61 249 240 A 27 GLN H A 22 LEU HA 1.0 . 5.25 250 241 A 46 GLU H A 43 ARG HA 1.0 . 4.91 251 242 A 50 ARG H A 51 SER H 1.0 . 4.34 252 243 A 62 LYS H A 63 ALA H 1.0 . 4.63 253 244 A 68 ALA H A 69 LYS H 1.0 . 4.50 254 245 A 76 LYS H A 75 ASP H 1.0 . 4.22 255 246 A 76 LYS H A 77 GLN H 1.0 . 4.53 256 247 A 14 ASN H A 13 VAL HB 1.0 . 5.31 257 248 A 10 LEU H A 10 LEU HDy% 1.0 . 4.96 258 249 A 43 ARG H A 41 LEU H 1.0 . 5.34 259 250 A 6 THR HG2% A 6 THR HA 1.0 . 3.85 260 251 A 28 ILE HA A 29 PRO HDy 1.0 . 4.07 261 252 A 28 ILE HA A 29 PRO HDx 1.0 . 4.07 262 253 A 28 ILE H A 28 ILE HG2% 1.0 . 4.40 263 254 A 28 ILE HD1% A 28 ILE HA 1.0 . 3.88 264 255 A 28 ILE HA A 28 ILE HG2% 1.0 . 4.04 265 256 A 6 THR HG2% A 7 PRO HDy 1.0 . 4.68 266 257 A 6 THR HG2% A 7 PRO HDx 1.0 . 4.68 267 258 A 6 THR HA A 7 PRO HDx 1.0 . 3.57 268 259 A 6 THR HB A 7 PRO HDy 1.0 . 4.66 269 260 A 6 THR HB A 7 PRO HDx 1.0 . 4.66 270 261 A 8 ILE H A 7 PRO HA 1.0 . 3.37 271 262 A 6 THR HA A 7 PRO HDy 1.0 . 3.57 272 263 A 9 ASP H A 8 ILE HA 1.0 . 3.51 273 264 A 8 ILE HD1% A 8 ILE HA 1.0 . 3.66 274 265 A 8 ILE HB A 8 ILE H 1.0 . 3.92 275 266 A 8 ILE HB A 8 ILE HD1% 1.0 . 3.49 276 267 A 8 ILE H A 8 ILE HG1x 1.0 . 4.27 277 268 A 8 ILE HA A 8 ILE HG2% 1.0 . 3.51 278 269 A 8 ILE H A 8 ILE HG2% 1.0 . 3.97 279 270 A 9 ASP H A 8 ILE HG2% 1.0 . 4.05 280 271 A 19 ILE H A 19 ILE HD1% 1.0 . 4.00 281 272 A 19 ILE HD1% A 19 ILE HA 1.0 . 4.16 282 273 A 19 ILE HD1% A 16 ASP HA 1.0 . 4.36 283 274 A 16 ASP HA A 19 ILE HG2% 1.0 . 4.43 284 275 A 19 ILE H A 19 ILE HG2% 1.0 . 4.01 285 276 A 20 GLU H A 19 ILE HG2% 1.0 . 4.58 286 277 A 19 ILE HA A 19 ILE HG2% 1.0 . 3.83 287 278 A 19 ILE HB A 19 ILE HD1% 1.0 . 3.58 288 279 A 19 ILE HB A 16 ASP HA 1.0 . 4.58 289 280 A 28 ILE HD1% A 22 LEU HDy% 1.0 . 4.57 290 281 A 28 ILE HD1% A 22 LEU HDx% 1.0 . 4.57 291 282 A 28 ILE HD1% A 28 ILE HB 1.0 . 3.34 292 283 A 28 ILE HD1% A 29 PRO HDx 1.0 . 4.45 293 284 A 28 ILE HD1% A 29 PRO HDy 1.0 . 4.45 294 285 A 28 ILE H A 28 ILE HD1% 1.0 . 4.19 295 286 A 28 ILE HG2% A 22 LEU HDx% 1.0 . 4.53 296 287 A 28 ILE HG2% A 22 LEU HDy% 1.0 . 4.53 297 288 A 32 ALA HB% A 28 ILE HG2% 1.0 . 3.40 298 289 A 28 ILE HG2% A 29 PRO HDy 1.0 . 4.13 299 290 A 39 ILE HA A 39 ILE HD1% 1.0 . 4.20 300 291 A 70 ILE HB A 70 ILE H 1.0 . 3.77 301 292 A 40 ALA HB% A 39 ILE HB 1.0 . 4.04 302 293 A 39 ILE HA A 39 ILE HG2% 1.0 . 3.61 303 294 A 39 ILE HG2% A 40 ALA HA 1.0 . 4.37 304 295 A 40 ALA H A 39 ILE HG2% 1.0 . 4.16 305 296 A 74 ILE HB A 74 ILE H 1.0 . 4.10 306 297 A 36 ASP HA A 39 ILE HG2% 1.0 . 4.39 307 298 A 39 ILE H A 39 ILE HD1% 1.0 . 4.26 308 299 A 39 ILE H A 39 ILE HG1y 1.0 . 4.59 309 300 A 36 ASP HA A 39 ILE HD1% 1.0 . 3.84 310 301 A 39 ILE HB A 39 ILE HD1% 1.0 . 3.22 311 302 A 49 ILE HA A 49 ILE HG2% 1.0 . 3.64 312 303 A 49 ILE HD1% A 49 ILE HA 1.0 . 4.38 313 304 A 49 ILE HG2% A 49 ILE HG1y 1.0 . 3.57 314 305 A 49 ILE H A 49 ILE HG1y 1.0 . 4.60 315 306 A 49 ILE H A 49 ILE HG2% 1.0 . 4.15 316 307 A 49 ILE H A 49 ILE HD1% 1.0 . 4.39 317 308 A 49 ILE HB A 49 ILE HD1% 1.0 . 3.54 318 309 A 70 ILE HG2% A 70 ILE HA 1.0 . 3.48 319 310 A 74 ILE HG2% A 74 ILE HA 1.0 . 3.98 320 311 A 39 ILE HB A 36 ASP HA 1.0 . 4.37 321 312 A 12 VAL HB A 12 VAL H 1.0 . 3.95 322 313 A 12 VAL HGy% A 12 VAL HA 1.0 . 3.48 323 314 A 12 VAL H A 12 VAL HGx% 1.0 . 4.04 324 315 A 12 VAL HGy% A 12 VAL H 1.0 . 4.04 325 316 A 12 VAL HA A 12 VAL HGx% 1.0 . 3.48 326 317 A 13 VAL HGy% A 13 VAL HA 1.0 . 3.37 327 318 A 12 VAL HB A 13 VAL HA 1.0 . 4.09 328 319 A 13 VAL H A 13 VAL HB 1.0 . 3.95 329 320 A 13 VAL HA A 13 VAL HGx% 1.0 . 3.37 330 321 A 23 VAL HA A 23 VAL HGy% 1.0 . 3.56 331 322 A 23 VAL HA A 23 VAL HGx% 1.0 . 3.56 332 323 A 20 GLU HA A 23 VAL HB 1.0 . 4.34 333 324 A 23 VAL H A 23 VAL HB 1.0 . 4.01 334 325 A 24 ARG H A 23 VAL HB 1.0 . 4.23 335 326 A 23 VAL H A 23 VAL HGx% 1.0 . 4.19 336 327 A 30 ALA HA A 23 VAL HGy% 1.0 . 3.59 337 328 A 23 VAL H A 23 VAL HGy% 1.0 . 4.19 338 329 A 23 VAL HA A 23 VAL HGx% 1.0 . 3.44 339 329 A 23 VAL HA A 23 VAL HGy% 1.0 . 3.44 340 330 A 35 VAL HA A 35 VAL HGx% 1.0 . 3.66 341 331 A 35 VAL H A 35 VAL HB 1.0 . 3.83 342 332 A 35 VAL H A 35 VAL HGy% 1.0 . 4.11 343 333 A 36 ASP H A 35 VAL HGy% 1.0 . 4.42 344 334 A 35 VAL HA A 35 VAL HGy% 1.0 . 3.66 345 335 A 35 VAL H A 35 VAL HGx% 1.0 . 4.11 346 336 A 73 VAL HA A 73 VAL HGy% 1.0 . 3.63 347 337 A 73 VAL HA A 73 VAL HGx% 1.0 . 3.63 348 338 A 73 VAL H A 73 VAL HGx% 1.0 . 4.06 349 339 A 30 ALA HA A 23 VAL HGx% 1.0 . 3.59 350 340 A 31 ASP H A 30 ALA HB% 1.0 . 4.00 351 341 A 29 PRO HA A 30 ALA HB% 1.0 . 4.16 352 342 A 32 ALA HB% A 31 ASP HBy 1.0 . 4.27 353 343 A 32 ALA HB% A 31 ASP HBx 1.0 . 4.27 354 344 A 32 ALA HB% A 29 PRO HDx 1.0 . 4.26 355 345 A 32 ALA HB% A 29 PRO HDy 1.0 . 4.26 356 346 A 32 ALA HB% A 33 SER H 1.0 . 3.78 357 347 A 33 SER H A 32 ALA HA 1.0 . 3.54 358 348 A 40 ALA HB% A 22 LEU HA 1.0 . 3.96 359 349 A 40 ALA HB% A 28 ILE HG2% 1.0 . 3.23 360 350 A 57 ALA H A 57 ALA HB% 1.0 . 3.79 361 351 A 63 ALA HB% A 63 ALA H 1.0 . 3.52 362 352 A 69 LYS H A 68 ALA HB% 1.0 . 4.29 363 353 A 68 ALA H A 68 ALA HB% 1.0 . 3.62 364 354 A 25 THR HG2% A 25 THR HA 1.0 . 3.45 365 355 A 21 MET H A 21 MET HE% 1.0 . 4.26 366 356 A 22 LEU H A 21 MET HE% 1.0 . 4.06 367 357 A 44 TYR HD% A 21 MET HE% 1.0 . 4.46 368 358 A 21 MET HE% A 44 TYR HE% 1.0 . 3.96 369 359 A 18 LEU HA A 21 MET HE% 1.0 . 3.71 370 360 A 22 LEU HA A 21 MET HE% 1.0 . 4.40 371 361 A 21 MET HE% A 22 LEU HDx% 1.0 . 4.05 372 362 A 21 MET HE% A 22 LEU HDy% 1.0 . 4.05 373 363 A 21 MET HE% A 21 MET HGx 1.0 . 3.50 374 364 A 21 MET HE% A 21 MET HGy 1.0 . 3.50 375 365 A 21 MET HA A 21 MET HE% 1.0 . 4.85 376 366 A 80 PRO HD3 A 79 GLY HAy 1.0 . 3.88 377 366 A 79 GLY HAy A 80 PRO HD2 1.0 . 3.88 378 367 A 80 PRO HD3 A 79 GLY HAx 1.0 . 3.88 379 367 A 79 GLY HAx A 80 PRO HD2 1.0 . 3.88 380 368 A 28 ILE HB A 29 PRO HDx 1.0 . 4.73 381 369 A 28 ILE HG2% A 29 PRO HDx 1.0 . 4.13 382 370 A 28 ILE HB A 29 PRO HDy 1.0 . 4.73 383 371 A 31 ASP H A 29 PRO HBx 1.0 . 4.74 384 372 A 10 LEU HA A 10 LEU HDx% 1.0 . 4.24 385 373 A 10 LEU HA A 10 LEU HDy% 1.0 . 4.24 386 374 A 10 LEU H A 10 LEU HG 1.0 . 3.79 387 375 A 18 LEU HBx A 18 LEU HDx% 1.0 . 3.92 388 376 A 18 LEU HA A 18 LEU HDy% 1.0 . 4.18 389 377 A 18 LEU HG A 18 LEU H 1.0 . 4.21 390 378 A 18 LEU HBy A 18 LEU HDx% 1.0 . 3.92 391 379 A 22 LEU HA A 18 LEU HDx% 1.0 . 4.84 392 380 A 18 LEU HA A 18 LEU HDx% 1.0 . 4.18 393 381 A 44 TYR HE% A 18 LEU HDx% 1.0 . 3.93 394 382 A 18 LEU H A 18 LEU HDx% 1.0 . 4.53 395 383 A 18 LEU HDy% A 18 LEU HBy 1.0 . 3.92 396 384 A 21 MET HE% A 18 LEU HDy% 1.0 . 3.66 397 385 A 18 LEU HDy% A 18 LEU HBx 1.0 . 3.92 398 386 A 22 LEU HA A 18 LEU HDy% 1.0 . 4.84 399 387 A 18 LEU H A 18 LEU HDy% 1.0 . 4.53 400 388 A 22 LEU H A 22 LEU HG 1.0 . 4.63 401 389 A 22 LEU HA A 22 LEU HDy% 1.0 . 4.62 402 390 A 44 TYR HD% A 22 LEU HDy% 1.0 . 4.40 403 391 A 28 ILE H A 22 LEU HDy% 1.0 . 5.71 404 392 A 22 LEU H A 22 LEU HDy% 1.0 . 4.43 405 393 A 22 LEU HA A 22 LEU HDx% 1.0 . 4.62 406 394 A 41 LEU HA A 41 LEU HDx% 1.0 . 4.10 407 395 A 45 LEU H A 45 LEU HDy% 1.0 . 4.30 408 396 A 45 LEU H A 45 LEU HDx% 1.0 . 4.30 409 397 A 45 LEU HBy A 45 LEU HDx% 1.0 . 3.86 410 398 A 45 LEU HBx A 45 LEU HDx% 1.0 . 3.86 411 399 A 45 LEU HDy% A 45 LEU HBx 1.0 . 3.86 412 400 A 45 LEU HBy A 45 LEU HDy% 1.0 . 3.86 413 401 A 64 LEU HA A 64 LEU HDy% 1.0 . 3.86 414 402 A 64 LEU HA A 64 LEU HDx% 1.0 . 3.86 415 403 A 64 LEU H A 64 LEU HG 1.0 . 4.10 416 404 A 64 LEU HA A 64 LEU HG 1.0 . 3.99 417 405 A 71 LEU H A 71 LEU HDx% 1.0 . 4.41 418 406 A 71 LEU HA A 71 LEU HDy% 1.0 . 4.13 419 407 A 71 LEU H A 71 LEU HDy% 1.0 . 4.41 420 408 A 71 LEU HA A 71 LEU HDx% 1.0 . 4.13 421 409 A 71 LEU H A 71 LEU HG 1.0 . 4.29 422 410 A 10 LEU H A 9 ASP HA 1.0 . 3.52 423 411 A 9 ASP H A 9 ASP HBx 1.0 . 4.18 424 412 A 17 LYS H A 16 ASP HBx 1.0 . 4.73 425 413 A 20 GLU H A 20 GLU HGy 1.0 . 4.95 426 414 A 20 GLU H A 20 GLU HGx 1.0 . 4.95 427 415 A 42 GLU H A 42 GLU HGx 1.0 . 4.51 428 416 A 42 GLU H A 42 GLU HGy 1.0 . 4.51 429 417 A 42 GLU H A 42 GLU HBx 1.0 . 4.20 430 418 A 42 GLU HBy A 42 GLU H 1.0 . 4.20 431 419 A 46 GLU H A 46 GLU HGy 1.0 . 4.70 432 420 A 46 GLU H A 46 GLU HGx 1.0 . 4.70 433 421 A 49 ILE HD1% A 46 GLU HA 1.0 . 4.23 434 422 A 47 GLU H A 47 GLU HGx 1.0 . 4.58 435 423 A 47 GLU H A 47 GLU HGy 1.0 . 4.58 436 424 A 65 GLU HA A 65 GLU HGy 1.0 . 4.12 437 425 A 65 GLU HA A 65 GLU HGx 1.0 . 4.12 438 426 A 27 GLN H A 27 GLN HGx 1.0 . 4.50 439 427 A 21 MET HE% A 18 LEU HDx% 1.0 . 3.66 440 428 A 25 THR HG2% A 22 LEU HA 1.0 . 4.48 441 429 A 25 THR HG2% A 21 MET HE% 1.0 . 4.33 442 430 A 41 LEU HA A 41 LEU HDy% 1.0 . 4.10 443 431 A 41 LEU H A 41 LEU HDy% 1.0 . 4.34 444 432 A 44 TYR HD% A 18 LEU HDy% 1.0 . 4.24 445 433 A 43 ARG H A 40 ALA HA 1.0 . 4.30 446 434 A 39 ILE H A 39 ILE HG1x 1.0 . 4.59 447 435 A 49 ILE H A 49 ILE HG1x 1.0 . 4.60 448 436 A 49 ILE HG2% A 49 ILE HG1x 1.0 . 3.57 449 437 A 50 ARG H A 49 ILE HG2% 1.0 . 3.96 450 438 A 44 TYR HD% A 44 TYR HA 1.0 . 3.60 451 439 A 44 TYR HD% A 45 LEU HA 1.0 . 4.29 452 440 A 44 TYR HD% A 45 LEU HG 1.0 . 3.93 453 441 A 44 TYR HD% A 18 LEU HDx% 1.0 . 4.24 454 442 A 44 TYR HD% A 22 LEU HDx% 1.0 . 4.40 455 443 A 44 TYR HE% A 45 LEU HA 1.0 . 4.90 456 444 A 44 TYR HE% A 45 LEU HG 1.0 . 4.71 457 445 A 44 TYR HE% A 18 LEU HDy% 1.0 . 3.93 458 446 A 44 TYR HE% A 22 LEU HDy% 1.0 . 4.84 459 447 A 44 TYR HE% A 22 LEU HDx% 1.0 . 4.84 460 448 A 53 PHE HD% A 44 TYR HE% 1.0 . 4.86 461 449 A 6 THR HA A 7 PRO HDy 1.0 . 3.06 462 449 A 6 THR HA A 7 PRO HDx 1.0 . 3.06 463 450 A 6 THR HB A 7 PRO HDy 1.0 . 3.99 464 450 A 6 THR HB A 7 PRO HDx 1.0 . 3.99 465 451 A 6 THR HG2% A 7 PRO HDy 1.0 . 3.90 466 451 A 6 THR HG2% A 7 PRO HDx 1.0 . 3.90 467 452 A 8 ILE HG2% A 8 ILE HG1y 1.0 . 3.30 468 452 A 8 ILE HG2% A 8 ILE HG1x 1.0 . 3.30 469 453 A 10 LEU H A 10 LEU HDx% 1.0 . 4.30 470 453 A 10 LEU H A 10 LEU HDy% 1.0 . 4.30 471 454 A 10 LEU HA A 10 LEU HDx% 1.0 . 3.25 472 454 A 10 LEU HA A 10 LEU HDy% 1.0 . 3.25 473 455 A 11 GLY H A 10 LEU HDx% 1.0 . 4.78 474 455 A 11 GLY H A 10 LEU HDy% 1.0 . 4.78 475 456 A 12 VAL H A 12 VAL HGx% 1.0 . 3.33 476 456 A 12 VAL HGy% A 12 VAL H 1.0 . 3.33 477 457 A 12 VAL HA A 12 VAL HGx% 1.0 . 3.03 478 457 A 12 VAL HGy% A 12 VAL HA 1.0 . 3.03 479 458 A 13 VAL H A 13 VAL HGx% 1.0 . 3.49 480 458 A 13 VAL HGy% A 13 VAL H 1.0 . 3.49 481 459 A 17 LYS H A 14 ASN HBy 1.0 . 5.44 482 459 A 17 LYS H A 14 ASN HBx 1.0 . 5.44 483 460 A 15 GLU HA A 41 LEU HDx% 1.0 . 4.08 484 460 A 15 GLU HA A 41 LEU HDy% 1.0 . 4.08 485 461 A 16 ASP H A 15 GLU HBx 1.0 . 4.02 486 461 A 16 ASP H A 15 GLU HBy 1.0 . 4.02 487 462 A 15 GLU HBy A 41 LEU HDx% 1.0 . 3.89 488 462 A 15 GLU HBx A 41 LEU HDx% 1.0 . 3.89 489 462 A 41 LEU HDy% A 15 GLU HBx 1.0 . 3.89 490 462 A 41 LEU HDy% A 15 GLU HBy 1.0 . 3.89 491 463 A 16 ASP H A 15 GLU HGy 1.0 . 4.79 492 463 A 16 ASP H A 15 GLU HGx 1.0 . 4.79 493 464 A 15 GLU HGx A 41 LEU HDx% 1.0 . 3.45 494 464 A 15 GLU HGy A 41 LEU HDx% 1.0 . 3.45 495 464 A 41 LEU HDy% A 15 GLU HGy 1.0 . 3.45 496 464 A 41 LEU HDy% A 15 GLU HGx 1.0 . 3.45 497 465 A 16 ASP H A 16 ASP HBy 1.0 . 3.61 498 465 A 16 ASP H A 16 ASP HBx 1.0 . 3.61 499 466 A 19 ILE HG2% A 16 ASP HBy 1.0 . 4.29 500 466 A 19 ILE HG2% A 16 ASP HBx 1.0 . 4.29 501 467 A 18 LEU H A 17 LYS HGy 1.0 . 5.26 502 467 A 18 LEU H A 17 LYS HGx 1.0 . 5.26 503 468 A 18 LEU H A 17 LYS HD2 1.0 . 4.31 504 468 A 18 LEU H A 17 LYS HDy 1.0 . 4.31 505 469 A 18 LEU H A 18 LEU HDx% 1.0 . 3.98 506 469 A 18 LEU H A 18 LEU HDy% 1.0 . 3.98 507 470 A 18 LEU HA A 18 LEU HDx% 1.0 . 3.31 508 470 A 18 LEU HA A 18 LEU HDy% 1.0 . 3.31 509 471 A 19 ILE H A 18 LEU HBx 1.0 . 4.18 510 471 A 19 ILE H A 18 LEU HBy 1.0 . 4.18 511 472 A 21 MET HE% A 18 LEU HBx 1.0 . 4.61 512 472 A 21 MET HE% A 18 LEU HBy 1.0 . 4.61 513 473 A 18 LEU HBx A 41 LEU HDx% 1.0 . 3.81 514 473 A 18 LEU HBy A 41 LEU HDx% 1.0 . 3.81 515 473 A 41 LEU HDy% A 18 LEU HBx 1.0 . 3.81 516 473 A 41 LEU HDy% A 18 LEU HBy 1.0 . 3.81 517 474 A 19 ILE H A 18 LEU HDx% 1.0 . 3.97 518 474 A 19 ILE H A 18 LEU HDy% 1.0 . 3.97 519 475 A 21 MET H A 18 LEU HDx% 1.0 . 5.28 520 475 A 21 MET H A 18 LEU HDy% 1.0 . 5.28 521 476 A 21 MET HE% A 18 LEU HDx% 1.0 . 3.07 522 476 A 21 MET HE% A 18 LEU HDy% 1.0 . 3.07 523 477 A 22 LEU H A 18 LEU HDx% 1.0 . 5.13 524 477 A 22 LEU H A 18 LEU HDy% 1.0 . 5.13 525 478 A 22 LEU HA A 18 LEU HDx% 1.0 . 3.91 526 478 A 22 LEU HA A 18 LEU HDy% 1.0 . 3.91 527 479 A 41 LEU H A 18 LEU HDx% 1.0 . 4.82 528 479 A 41 LEU H A 18 LEU HDy% 1.0 . 4.82 529 480 A 44 TYR HE% A 18 LEU HDx% 1.0 . 3.41 530 480 A 44 TYR HE% A 18 LEU HDy% 1.0 . 3.41 531 481 A 19 ILE H A 19 ILE HG12 1.0 . 4.54 532 481 A 19 ILE H A 19 ILE HG1y 1.0 . 4.54 533 482 A 19 ILE HA A 22 LEU HDx% 1.0 . 4.17 534 482 A 19 ILE HA A 22 LEU HDy% 1.0 . 4.17 535 483 A 20 GLU H A 19 ILE HG12 1.0 . 5.23 536 483 A 20 GLU H A 19 ILE HG1y 1.0 . 5.23 537 484 A 19 ILE HD1% A 22 LEU HDx% 1.0 . 4.35 538 484 A 19 ILE HD1% A 22 LEU HDy% 1.0 . 4.35 539 485 A 20 GLU H A 20 GLU HBy 1.0 . 3.61 540 485 A 20 GLU H A 20 GLU HBx 1.0 . 3.61 541 486 A 20 GLU H A 20 GLU HGx 1.0 . 4.26 542 486 A 20 GLU H A 20 GLU HGy 1.0 . 4.26 543 487 A 20 GLU HA A 23 VAL HGx% 1.0 . 3.78 544 487 A 20 GLU HA A 23 VAL HGy% 1.0 . 3.78 545 488 A 21 MET H A 20 GLU HBy 1.0 . 4.24 546 488 A 21 MET H A 20 GLU HBx 1.0 . 4.24 547 489 A 21 MET H A 21 MET HB2 1.0 . 3.69 548 489 A 21 MET H A 21 MET HBy 1.0 . 3.69 549 490 A 21 MET H A 21 MET HGy 1.0 . 4.06 550 490 A 21 MET H A 21 MET HGx 1.0 . 4.06 551 491 A 21 MET HA A 21 MET HGy 1.0 . 3.69 552 491 A 21 MET HA A 21 MET HGx 1.0 . 3.69 553 492 A 21 MET HE% A 21 MET HB2 1.0 . 3.55 554 492 A 21 MET HE% A 21 MET HBy 1.0 . 3.55 555 493 A 21 MET HE% A 21 MET HGy 1.0 . 3.03 556 493 A 21 MET HE% A 21 MET HGx 1.0 . 3.03 557 494 A 25 THR HG2% A 21 MET HGy 1.0 . 3.97 558 494 A 25 THR HG2% A 21 MET HGx 1.0 . 3.97 559 495 A 21 MET HE% A 22 LEU HDx% 1.0 . 3.23 560 495 A 21 MET HE% A 22 LEU HDy% 1.0 . 3.23 561 496 A 22 LEU H A 22 LEU HDx% 1.0 . 3.86 562 496 A 22 LEU H A 22 LEU HDy% 1.0 . 3.86 563 497 A 22 LEU HA A 22 LEU HDx% 1.0 . 3.45 564 497 A 22 LEU HA A 22 LEU HDy% 1.0 . 3.45 565 498 A 23 VAL H A 22 LEU HBy 1.0 . 4.38 566 498 A 23 VAL H A 22 LEU HBx 1.0 . 4.38 567 499 A 28 ILE HG2% A 22 LEU HBy 1.0 . 3.75 568 499 A 28 ILE HG2% A 22 LEU HBx 1.0 . 3.75 569 500 A 28 ILE HD1% A 22 LEU HBy 1.0 . 3.80 570 500 A 28 ILE HD1% A 22 LEU HBx 1.0 . 3.80 571 501 A 23 VAL H A 22 LEU HDx% 1.0 . 5.98 572 501 A 23 VAL H A 22 LEU HDy% 1.0 . 5.98 573 502 A 22 LEU HDy% A 23 VAL HGx% 1.0 . 4.28 574 502 A 22 LEU HDx% A 23 VAL HGx% 1.0 . 4.28 575 502 A 23 VAL HGy% A 22 LEU HDx% 1.0 . 4.28 576 502 A 23 VAL HGy% A 22 LEU HDy% 1.0 . 4.28 577 503 A 27 GLN H A 22 LEU HDx% 1.0 . 5.56 578 503 A 27 GLN H A 22 LEU HDy% 1.0 . 5.56 579 504 A 28 ILE H A 22 LEU HDx% 1.0 . 4.59 580 504 A 28 ILE H A 22 LEU HDy% 1.0 . 4.59 581 505 A 28 ILE HG2% A 22 LEU HDx% 1.0 . 3.81 582 505 A 28 ILE HG2% A 22 LEU HDy% 1.0 . 3.81 583 506 A 28 ILE HD1% A 22 LEU HDx% 1.0 . 3.69 584 506 A 28 ILE HD1% A 22 LEU HDy% 1.0 . 3.69 585 507 A 40 ALA HB% A 22 LEU HDx% 1.0 . 4.09 586 507 A 40 ALA HB% A 22 LEU HDy% 1.0 . 4.09 587 508 A 41 LEU H A 22 LEU HDx% 1.0 . 5.56 588 508 A 41 LEU H A 22 LEU HDy% 1.0 . 5.56 589 509 A 41 LEU HA A 22 LEU HDx% 1.0 . 4.26 590 509 A 41 LEU HA A 22 LEU HDy% 1.0 . 4.26 591 510 A 22 LEU HDy% A 41 LEU HDx% 1.0 . 3.85 592 510 A 41 LEU HDy% A 22 LEU HDx% 1.0 . 3.85 593 510 A 41 LEU HDy% A 22 LEU HDy% 1.0 . 3.85 594 510 A 22 LEU HDx% A 41 LEU HDx% 1.0 . 3.85 595 511 A 44 TYR H A 22 LEU HDx% 1.0 . 5.43 596 511 A 44 TYR H A 22 LEU HDy% 1.0 . 5.43 597 512 A 44 TYR HD% A 22 LEU HDx% 1.0 . 3.76 598 512 A 44 TYR HD% A 22 LEU HDy% 1.0 . 3.76 599 513 A 44 TYR HE% A 22 LEU HDx% 1.0 . 4.04 600 513 A 44 TYR HE% A 22 LEU HDy% 1.0 . 4.04 601 514 A 23 VAL H A 23 VAL HGx% 1.0 . 3.38 602 514 A 23 VAL H A 23 VAL HGy% 1.0 . 3.38 603 515 A 24 ARG H A 23 VAL HGx% 1.0 . 4.26 604 515 A 24 ARG H A 23 VAL HGy% 1.0 . 4.26 605 516 A 25 THR H A 23 VAL HGx% 1.0 . 5.85 606 516 A 25 THR H A 23 VAL HGy% 1.0 . 5.85 607 517 A 26 GLY H A 23 VAL HGx% 1.0 . 5.49 608 517 A 26 GLY H A 23 VAL HGy% 1.0 . 5.49 609 518 A 30 ALA H A 23 VAL HGx% 1.0 . 4.37 610 518 A 30 ALA H A 23 VAL HGy% 1.0 . 4.37 611 519 A 30 ALA HB% A 23 VAL HGx% 1.0 . 3.27 612 519 A 23 VAL HGy% A 30 ALA HB% 1.0 . 3.27 613 520 A 31 ASP H A 23 VAL HGx% 1.0 . 5.46 614 520 A 31 ASP H A 23 VAL HGy% 1.0 . 5.46 615 521 A 32 ALA H A 23 VAL HGx% 1.0 . 5.93 616 521 A 32 ALA H A 23 VAL HGy% 1.0 . 5.93 617 522 A 40 ALA HB% A 23 VAL HGx% 1.0 . 4.11 618 522 A 40 ALA HB% A 23 VAL HGy% 1.0 . 4.11 619 523 A 24 ARG H A 24 ARG HB2 1.0 . 3.59 620 523 A 24 ARG H A 24 ARG HBy 1.0 . 3.59 621 524 A 24 ARG H A 24 ARG HGy 1.0 . 4.90 622 524 A 24 ARG H A 24 ARG HGx 1.0 . 4.90 623 525 A 24 ARG H A 24 ARG HD2 1.0 . 5.48 624 525 A 24 ARG H A 24 ARG HDy 1.0 . 5.48 625 526 A 25 THR H A 24 ARG HD2 1.0 . 6.76 626 526 A 25 THR H A 24 ARG HDy 1.0 . 6.76 627 527 A 28 ILE H A 26 GLY HAy 1.0 . 5.54 628 527 A 28 ILE H A 26 GLY HAx 1.0 . 5.54 629 528 A 28 ILE H A 27 GLN HBx 1.0 . 4.40 630 528 A 28 ILE H A 27 GLN HBy 1.0 . 4.40 631 529 A 28 ILE H A 27 GLN HGx 1.0 . 4.73 632 529 A 28 ILE H A 27 GLN HGy 1.0 . 4.73 633 530 A 28 ILE H A 28 ILE HG1y 1.0 . 4.87 634 530 A 28 ILE H A 28 ILE HG1x 1.0 . 4.87 635 531 A 28 ILE HA A 29 PRO HDy 1.0 . 3.47 636 531 A 28 ILE HA A 29 PRO HDx 1.0 . 3.47 637 532 A 28 ILE HB A 29 PRO HDy 1.0 . 4.09 638 532 A 28 ILE HB A 29 PRO HDx 1.0 . 4.09 639 533 A 28 ILE HG2% A 29 PRO HDy 1.0 . 3.51 640 533 A 28 ILE HG2% A 29 PRO HDx 1.0 . 3.51 641 534 A 28 ILE HD1% A 29 PRO HDy 1.0 . 3.69 642 534 A 28 ILE HD1% A 29 PRO HDx 1.0 . 3.69 643 535 A 31 ASP H A 29 PRO HBy 1.0 . 4.07 644 535 A 31 ASP H A 29 PRO HBx 1.0 . 4.07 645 536 A 32 ALA H A 29 PRO HBy 1.0 . 4.51 646 536 A 32 ALA H A 29 PRO HBx 1.0 . 4.51 647 537 A 32 ALA HB% A 29 PRO HBy 1.0 . 3.76 648 537 A 32 ALA HB% A 29 PRO HBx 1.0 . 3.76 649 538 A 32 ALA HB% A 29 PRO HDy 1.0 . 3.70 650 538 A 32 ALA HB% A 29 PRO HDx 1.0 . 3.70 651 539 A 33 SER H A 31 ASP HBx 1.0 . 4.64 652 539 A 33 SER H A 31 ASP HBy 1.0 . 4.64 653 540 A 35 VAL H A 33 SER HBx 1.0 . 5.06 654 540 A 35 VAL H A 33 SER HBy 1.0 . 5.06 655 541 A 36 ASP H A 33 SER HBx 1.0 . 5.40 656 541 A 36 ASP H A 33 SER HBy 1.0 . 5.40 657 542 A 35 VAL H A 35 VAL HGx% 1.0 . 3.27 658 542 A 35 VAL H A 35 VAL HGy% 1.0 . 3.27 659 543 A 35 VAL HA A 35 VAL HGx% 1.0 . 3.10 660 543 A 35 VAL HA A 35 VAL HGy% 1.0 . 3.10 661 544 A 36 ASP H A 35 VAL HGx% 1.0 . 3.80 662 544 A 36 ASP H A 35 VAL HGy% 1.0 . 3.80 663 545 A 37 LYS H A 37 LYS HG2 1.0 . 4.81 664 545 A 37 LYS H A 37 LYS HGy 1.0 . 4.81 665 546 A 37 LYS H A 37 LYS HDy 1.0 . 4.05 666 546 A 37 LYS H A 37 LYS HDx 1.0 . 4.05 667 547 A 38 ARG H A 37 LYS HB2 1.0 . 3.92 668 547 A 38 ARG H A 37 LYS HBy 1.0 . 3.92 669 548 A 38 ARG H A 37 LYS HG2 1.0 . 5.42 670 548 A 38 ARG H A 37 LYS HGy 1.0 . 5.42 671 549 A 38 ARG H A 37 LYS HDy 1.0 . 4.21 672 549 A 38 ARG H A 37 LYS HDx 1.0 . 4.21 673 550 A 38 ARG H A 38 ARG HBy 1.0 . 3.70 674 550 A 38 ARG H A 38 ARG HBx 1.0 . 3.70 675 551 A 40 ALA H A 38 ARG HBy 1.0 . 5.05 676 551 A 40 ALA H A 38 ARG HBx 1.0 . 5.05 677 552 A 39 ILE H A 38 ARG HGy 1.0 . 4.24 678 552 A 39 ILE H A 38 ARG HGx 1.0 . 4.24 679 553 A 39 ILE HG2% A 38 ARG HDx 1.0 . 4.30 680 553 A 39 ILE HG2% A 38 ARG HDy 1.0 . 4.30 681 554 A 40 ALA H A 39 ILE HG1x 1.0 . 5.11 682 554 A 40 ALA H A 39 ILE HG1y 1.0 . 5.11 683 555 A 41 LEU HA A 41 LEU HDx% 1.0 . 3.39 684 555 A 41 LEU HA A 41 LEU HDy% 1.0 . 3.39 685 556 A 42 GLU H A 41 LEU HBx 1.0 . 4.11 686 556 A 42 GLU H A 41 LEU HBy 1.0 . 4.11 687 557 A 42 GLU H A 41 LEU HDx% 1.0 . 4.66 688 557 A 42 GLU H A 41 LEU HDy% 1.0 . 4.66 689 558 A 43 ARG H A 41 LEU HDx% 1.0 . 5.06 690 558 A 43 ARG H A 41 LEU HDy% 1.0 . 5.06 691 559 A 44 TYR H A 41 LEU HDx% 1.0 . 5.00 692 559 A 44 TYR H A 41 LEU HDy% 1.0 . 5.00 693 560 A 44 TYR HD% A 41 LEU HDx% 1.0 . 4.22 694 560 A 44 TYR HD% A 41 LEU HDy% 1.0 . 4.22 695 561 A 45 LEU H A 41 LEU HDx% 1.0 . 4.18 696 561 A 45 LEU H A 41 LEU HDy% 1.0 . 4.18 697 562 A 45 LEU HG A 41 LEU HDx% 1.0 . 3.65 698 562 A 45 LEU HG A 41 LEU HDy% 1.0 . 3.65 699 563 A 42 GLU HA A 42 GLU HGx 1.0 . 3.74 700 563 A 42 GLU HA A 42 GLU HGy 1.0 . 3.74 701 564 A 43 ARG H A 42 GLU HGx 1.0 . 5.64 702 564 A 43 ARG H A 42 GLU HGy 1.0 . 5.64 703 565 A 43 ARG H A 43 ARG HB2 1.0 . 3.48 704 565 A 43 ARG H A 43 ARG HBy 1.0 . 3.48 705 566 A 43 ARG H A 43 ARG HGx 1.0 . 4.07 706 566 A 43 ARG H A 43 ARG HGy 1.0 . 4.07 707 567 A 43 ARG HA A 43 ARG HGx 1.0 . 3.63 708 567 A 43 ARG HA A 43 ARG HGy 1.0 . 3.63 709 568 A 43 ARG HA A 43 ARG HD2 1.0 . 4.21 710 568 A 43 ARG HA A 43 ARG HDy 1.0 . 4.21 711 569 A 43 ARG HB2 A 43 ARG HD2 1.0 . 3.29 712 569 A 43 ARG HBy A 43 ARG HD2 1.0 . 3.29 713 569 A 43 ARG HDy A 43 ARG HB2 1.0 . 3.29 714 569 A 43 ARG HBy A 43 ARG HDy 1.0 . 3.29 715 570 A 45 LEU H A 43 ARG HB2 1.0 . 4.31 716 570 A 45 LEU H A 43 ARG HBy 1.0 . 4.31 717 571 A 44 TYR HD% A 45 LEU HBx 1.0 . 4.66 718 571 A 44 TYR HD% A 45 LEU HBy 1.0 . 4.66 719 572 A 44 TYR HD% A 45 LEU HDx% 1.0 . 3.96 720 572 A 44 TYR HD% A 45 LEU HDy% 1.0 . 3.96 721 573 A 44 TYR HD% A 48 LYS HG2 1.0 . 4.77 722 573 A 44 TYR HD% A 48 LYS HGy 1.0 . 4.77 723 574 A 44 TYR HE% A 45 LEU HBx 1.0 . 4.28 724 574 A 44 TYR HE% A 45 LEU HBy 1.0 . 4.28 725 575 A 44 TYR HE% A 45 LEU HDx% 1.0 . 3.63 726 575 A 44 TYR HE% A 45 LEU HDy% 1.0 . 3.63 727 576 A 44 TYR HE% A 48 LYS HG2 1.0 . 4.49 728 576 A 44 TYR HE% A 48 LYS HGy 1.0 . 4.49 729 577 A 45 LEU H A 45 LEU HDx% 1.0 . 3.69 730 577 A 45 LEU H A 45 LEU HDy% 1.0 . 3.69 731 578 A 45 LEU HA A 45 LEU HDx% 1.0 . 3.37 732 578 A 45 LEU HA A 45 LEU HDy% 1.0 . 3.37 733 579 A 46 GLU H A 45 LEU HBx 1.0 . 4.31 734 579 A 46 GLU H A 45 LEU HBy 1.0 . 4.31 735 580 A 46 GLU HA A 45 LEU HBx 1.0 . 3.90 736 580 A 46 GLU HA A 45 LEU HBy 1.0 . 3.90 737 581 A 46 GLU H A 45 LEU HDx% 1.0 . 5.01 738 581 A 46 GLU H A 45 LEU HDy% 1.0 . 5.01 739 582 A 47 GLU H A 46 GLU HBx 1.0 . 3.67 740 582 A 47 GLU H A 46 GLU HBy 1.0 . 3.67 741 583 A 47 GLU H A 46 GLU HGx 1.0 . 4.64 742 583 A 47 GLU H A 46 GLU HGy 1.0 . 4.64 743 584 A 47 GLU H A 47 GLU HGy 1.0 . 3.97 744 584 A 47 GLU H A 47 GLU HGx 1.0 . 3.97 745 585 A 48 LYS H A 48 LYS HG2 1.0 . 4.14 746 585 A 48 LYS H A 48 LYS HGy 1.0 . 4.14 747 586 A 48 LYS HA A 48 LYS HD2 1.0 . 3.94 748 586 A 48 LYS HA A 48 LYS HDy 1.0 . 3.94 749 587 A 48 LYS HBy A 48 LYS HD2 1.0 . 3.29 750 587 A 48 LYS HBx A 48 LYS HD2 1.0 . 3.29 751 587 A 48 LYS HDy A 48 LYS HBx 1.0 . 3.29 752 587 A 48 LYS HBy A 48 LYS HDy 1.0 . 3.29 753 588 A 49 ILE H A 48 LYS HG2 1.0 . 4.06 754 588 A 49 ILE H A 48 LYS HGy 1.0 . 4.06 755 589 A 49 ILE H A 48 LYS HD2 1.0 . 4.77 756 589 A 49 ILE H A 48 LYS HDy 1.0 . 4.77 757 590 A 49 ILE H A 49 ILE HG1x 1.0 . 4.01 758 590 A 49 ILE H A 49 ILE HG1y 1.0 . 4.01 759 591 A 49 ILE HG2% A 49 ILE HG1x 1.0 . 3.04 760 591 A 49 ILE HG2% A 49 ILE HG1y 1.0 . 3.04 761 592 A 50 ARG H A 49 ILE HG1x 1.0 . 4.56 762 592 A 50 ARG H A 49 ILE HG1y 1.0 . 4.56 763 593 A 50 ARG H A 50 ARG HB2 1.0 . 3.61 764 593 A 50 ARG H A 50 ARG HBy 1.0 . 3.61 765 594 A 50 ARG H A 50 ARG HGy 1.0 . 4.62 766 594 A 50 ARG H A 50 ARG HGx 1.0 . 4.62 767 595 A 50 ARG H A 50 ARG HD2 1.0 . 5.57 768 595 A 50 ARG H A 50 ARG HDy 1.0 . 5.57 769 596 A 50 ARG HB2 A 50 ARG HD2 1.0 . 3.12 770 596 A 50 ARG HBy A 50 ARG HD2 1.0 . 3.12 771 596 A 50 ARG HDy A 50 ARG HB2 1.0 . 3.12 772 596 A 50 ARG HBy A 50 ARG HDy 1.0 . 3.12 773 597 A 51 SER H A 50 ARG HGy 1.0 . 5.29 774 597 A 51 SER H A 50 ARG HGx 1.0 . 5.29 775 598 A 51 SER H A 50 ARG HD2 1.0 . 5.90 776 598 A 51 SER H A 50 ARG HDy 1.0 . 5.90 777 599 A 53 PHE H A 53 PHE HB2 1.0 . 3.60 778 599 A 53 PHE H A 53 PHE HBy 1.0 . 3.60 779 600 A 54 LYS H A 54 LYS HGy 1.0 . 4.94 780 600 A 54 LYS H A 54 LYS HGx 1.0 . 4.94 781 601 A 54 LYS H A 54 LYS HDy 1.0 . 4.62 782 601 A 54 LYS H A 54 LYS HDx 1.0 . 4.62 783 602 A 57 ALA H A 56 ASP HBy 1.0 . 4.20 784 602 A 57 ALA H A 56 ASP HBx 1.0 . 4.20 785 603 A 59 PHE H A 58 GLN HG2 1.0 . 5.35 786 603 A 59 PHE H A 58 GLN HGy 1.0 . 5.35 787 604 A 61 LYS H A 61 LYS HGy 1.0 . 5.05 788 604 A 61 LYS H A 61 LYS HGx 1.0 . 5.05 789 605 A 62 LYS H A 61 LYS HB2 1.0 . 3.99 790 605 A 62 LYS H A 61 LYS HBy 1.0 . 3.99 791 606 A 62 LYS H A 61 LYS HGy 1.0 . 4.46 792 606 A 62 LYS H A 61 LYS HGx 1.0 . 4.46 793 607 A 62 LYS H A 61 LYS HD2 1.0 . 5.14 794 607 A 62 LYS H A 61 LYS HDy 1.0 . 5.14 795 608 A 63 ALA H A 62 LYS HB2 1.0 . 4.46 796 608 A 63 ALA H A 62 LYS HBy 1.0 . 4.46 797 609 A 63 ALA H A 62 LYS HGy 1.0 . 4.87 798 609 A 63 ALA H A 62 LYS HGx 1.0 . 4.87 799 610 A 63 ALA H A 62 LYS HD2 1.0 . 5.47 800 610 A 63 ALA H A 62 LYS HDy 1.0 . 5.47 801 611 A 64 LEU H A 64 LEU HBx 1.0 . 3.58 802 611 A 64 LEU H A 64 LEU HBy 1.0 . 3.58 803 612 A 64 LEU H A 64 LEU HDx% 1.0 . 4.20 804 612 A 64 LEU H A 64 LEU HDy% 1.0 . 4.20 805 613 A 64 LEU H A 65 GLU HBx 1.0 . 5.34 806 613 A 64 LEU H A 65 GLU HBy 1.0 . 5.34 807 614 A 64 LEU HA A 64 LEU HDx% 1.0 . 3.30 808 614 A 64 LEU HA A 64 LEU HDy% 1.0 . 3.30 809 615 A 65 GLU H A 64 LEU HBx 1.0 . 4.23 810 615 A 65 GLU H A 64 LEU HBy 1.0 . 4.23 811 616 A 65 GLU H A 64 LEU HDx% 1.0 . 5.18 812 616 A 65 GLU H A 64 LEU HDy% 1.0 . 5.18 813 617 A 65 GLU H A 65 GLU HBx 1.0 . 3.53 814 617 A 65 GLU H A 65 GLU HBy 1.0 . 3.53 815 618 A 65 GLU H A 65 GLU HGy 1.0 . 4.21 816 618 A 65 GLU H A 65 GLU HGx 1.0 . 4.21 817 619 A 65 GLU HA A 65 GLU HGy 1.0 . 3.54 818 619 A 65 GLU HA A 65 GLU HGx 1.0 . 3.54 819 620 A 66 GLN H A 65 GLU HBx 1.0 . 3.94 820 620 A 65 GLU HBy A 66 GLN H 1.0 . 3.94 821 621 A 66 GLN H A 65 GLU HGy 1.0 . 4.98 822 621 A 65 GLU HGx A 66 GLN H 1.0 . 4.98 823 622 A 66 GLN H A 66 GLN HBy 1.0 . 3.68 824 622 A 66 GLN H A 66 GLN HBx 1.0 . 3.68 825 623 A 67 ARG H A 66 GLN HG2 1.0 . 5.63 826 623 A 67 ARG H A 66 GLN HGy 1.0 . 5.63 827 624 A 67 ARG H A 67 ARG HG2 1.0 . 4.67 828 624 A 67 ARG H A 67 ARG HGy 1.0 . 4.67 829 625 A 69 LYS H A 67 ARG HBy 1.0 . 4.02 830 625 A 69 LYS H A 67 ARG HBx 1.0 . 4.02 831 626 A 68 ALA H A 67 ARG HG2 1.0 . 5.30 832 626 A 68 ALA H A 67 ARG HGy 1.0 . 5.30 833 627 A 69 LYS H A 69 LYS HGy 1.0 . 4.88 834 627 A 69 LYS H A 69 LYS HGx 1.0 . 4.88 835 628 A 69 LYS H A 69 LYS HD2 1.0 . 5.50 836 628 A 69 LYS H A 69 LYS HDy 1.0 . 5.50 837 629 A 70 ILE H A 69 LYS HB2 1.0 . 3.88 838 629 A 70 ILE H A 69 LYS HBy 1.0 . 3.88 839 630 A 70 ILE H A 69 LYS HGy 1.0 . 4.41 840 630 A 70 ILE H A 69 LYS HGx 1.0 . 4.41 841 631 A 70 ILE H A 69 LYS HD2 1.0 . 5.40 842 631 A 70 ILE H A 69 LYS HDy 1.0 . 5.40 843 632 A 70 ILE H A 70 ILE HG12 1.0 . 4.50 844 632 A 70 ILE H A 70 ILE HG1y 1.0 . 4.50 845 633 A 70 ILE H A 74 ILE HG12 1.0 . 4.64 846 633 A 70 ILE H A 74 ILE HG1y 1.0 . 4.64 847 634 A 71 LEU H A 70 ILE HG12 1.0 . 4.63 848 634 A 71 LEU H A 70 ILE HG1y 1.0 . 4.63 849 635 A 71 LEU H A 71 LEU HDx% 1.0 . 3.78 850 635 A 71 LEU H A 71 LEU HDy% 1.0 . 3.78 851 636 A 71 LEU HA A 71 LEU HDx% 1.0 . 3.44 852 636 A 71 LEU HA A 71 LEU HDy% 1.0 . 3.44 853 637 A 72 LYS H A 71 LEU HDx% 1.0 . 4.85 854 637 A 72 LYS H A 71 LEU HDy% 1.0 . 4.85 855 638 A 72 LYS H A 72 LYS HGy 1.0 . 4.96 856 638 A 72 LYS H A 72 LYS HGx 1.0 . 4.96 857 639 A 73 VAL H A 72 LYS HGy 1.0 . 5.32 858 639 A 73 VAL H A 72 LYS HGx 1.0 . 5.32 859 640 A 73 VAL H A 72 LYS HD2 1.0 . 5.46 860 640 A 73 VAL H A 72 LYS HDy 1.0 . 5.46 861 641 A 73 VAL H A 73 VAL HGx% 1.0 . 3.52 862 641 A 73 VAL H A 73 VAL HGy% 1.0 . 3.52 863 642 A 74 ILE H A 73 VAL HGx% 1.0 . 4.31 864 642 A 74 ILE H A 73 VAL HGy% 1.0 . 4.31 865 643 A 74 ILE H A 74 ILE HG12 1.0 . 4.67 866 643 A 74 ILE H A 74 ILE HG1y 1.0 . 4.67 867 644 A 76 LYS H A 76 LYS HGx 1.0 . 4.83 868 644 A 76 LYS H A 76 LYS HGy 1.0 . 4.83 869 645 A 77 GLN H A 77 GLN HGy 1.0 . 4.92 870 645 A 77 GLN H A 77 GLN HGx 1.0 . 4.92 871 646 A 79 GLY HAx A 80 PRO HD2 1.0 . 3.08 872 646 A 80 PRO HD3 A 79 GLY HAx 1.0 . 3.08 873 646 A 80 PRO HD3 A 79 GLY HAy 1.0 . 3.08 874 646 A 79 GLY HAy A 80 PRO HD2 1.0 . 3.08 875 647 A 30 ALA H A 32 ALA HB% 1.0 . 4.56 876 648 A 32 ALA HB% A 31 ASP HBx 1.0 . 3.87 877 648 A 32 ALA HB% A 31 ASP HBy 1.0 . 3.87 878 649 A 44 TYR HA A 44 TYR HE% 1.0 . 4.86 879 650 A 46 GLU HA A 45 LEU HG 1.0 . 4.11 stop_ save_