data_nef_c30301_5w0y 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5W0Y stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 7 CYS SG 1 68 CYS SG 1 14 CYS SG 1 62 CYS SG 1 15 CYS SG 1 48 CYS SG 1 69 CYS SG 1 81 CYS SG stop_ 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 SER middle . . 3 A 3 GLY middle . false 4 A 4 SER middle . . 5 A 5 SER middle . . 6 A 6 GLN middle . . 7 A 7 CYS middle -HG . 8 A 8 ASN middle . . 9 A 9 ALA middle . . 10 A 10 GLY middle . false 11 A 11 PRO middle . false 12 A 12 VAL middle . . 13 A 13 GLN middle . . 14 A 14 CYS middle -HG . 15 A 15 CYS middle -HG . 16 A 16 ASN middle . . 17 A 17 THR middle . . 18 A 18 LEU middle . . 19 A 19 THR middle . . 20 A 20 SER middle . . 21 A 21 ALA middle . . 22 A 22 SER middle . . 23 A 23 ASN middle . . 24 A 24 SER middle . . 25 A 25 GLN middle . . 26 A 26 ALA middle . . 27 A 27 ALA middle . . 28 A 28 GLY middle . false 29 A 29 LEU middle . . 30 A 30 ILE middle . . 31 A 31 GLN middle . . 32 A 32 GLN middle . . 33 A 33 LEU middle . . 34 A 34 GLY middle . false 35 A 35 LEU middle . . 36 A 36 SER middle . . 37 A 37 GLY middle . false 38 A 38 VAL middle . . 39 A 39 GLY middle . false 40 A 40 ALA middle . . 41 A 41 ASN middle . . 42 A 42 VAL middle . . 43 A 43 PRO middle . false 44 A 44 VAL middle . . 45 A 45 GLY middle . false 46 A 46 ILE middle . . 47 A 47 ASN middle . . 48 A 48 CYS middle -HG . 49 A 49 ASN middle . . 50 A 50 PRO middle . false 51 A 51 ILE middle . . 52 A 52 THR middle . . 53 A 53 GLY middle . false 54 A 54 ILE middle . . 55 A 55 GLY middle . false 56 A 56 ALA middle . . 57 A 57 GLY middle . false 58 A 58 SER middle . . 59 A 59 GLY middle . false 60 A 60 SER middle . . 61 A 61 SER middle . . 62 A 62 CYS middle -HG . 63 A 63 ASN middle . . 64 A 64 ALA middle . . 65 A 65 ASN middle . . 66 A 66 PRO middle . false 67 A 67 ALA middle . . 68 A 68 CYS middle -HG . 69 A 69 CYS middle -HG . 70 A 70 ASP middle . . 71 A 71 ASN middle . . 72 A 72 VAL middle . . 73 A 73 TYR middle . . 74 A 74 THR middle . . 75 A 75 ASN middle . . 76 A 76 GLY middle . false 77 A 77 LEU middle . . 78 A 78 GLY middle . false 79 A 79 VAL middle . . 80 A 80 GLN middle . . 81 A 81 CYS middle -HG . 82 A 82 ASN middle . . 83 A 83 PRO middle . false 84 A 84 ILE middle . . 85 A 85 ASN middle . . 86 A 86 VAL middle . . 87 A 87 ASN middle . . 88 A 88 LEU 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 GLY HA2 H 1 3.889 . A 1 GLY HA3 H 1 3.889 . A 1 GLY CA C 13 43.541 . A 2 SER HA H 1 4.521 0.014 A 2 SER HB2 H 1 3.880 0.01 A 2 SER C C 13 174.996 . A 2 SER CA C 13 58.431 0.016 A 2 SER CB C 13 63.946 0.014 A 3 GLY H H 1 8.616 0.002 A 3 GLY HAy H 1 4.011 0.004 A 3 GLY HAx H 1 4.009 0.007 A 3 GLY C C 13 174.208 0.014 A 3 GLY CA C 13 45.439 0.055 A 3 GLY N N 15 111.278 0.02 A 4 SER H H 1 8.273 0.002 A 4 SER HA H 1 4.518 0.006 A 4 SER HB2 H 1 3.888 0.005 A 4 SER C C 13 174.538 0.034 A 4 SER CA C 13 58.274 0.069 A 4 SER CB C 13 64.032 0.024 A 4 SER N N 15 115.700 0.015 A 5 SER H H 1 8.407 0.002 A 5 SER HA H 1 4.516 0.002 A 5 SER HB2 H 1 3.892 0.009 A 5 SER C C 13 174.186 0.01 A 5 SER CA C 13 58.180 0.069 A 5 SER CB C 13 63.905 0.023 A 5 SER N N 15 117.580 0.01 A 6 GLN H H 1 8.260 0.004 A 6 GLN HA H 1 4.313 0.004 A 6 GLN HBy H 1 2.079 0.005 A 6 GLN HBx H 1 1.952 0.006 A 6 GLN HE21 H 1 7.540 0.005 A 6 GLN HE22 H 1 6.861 0.0 A 6 GLN HG2 H 1 2.308 0.005 A 6 GLN C C 13 175.438 0.003 A 6 GLN CA C 13 56.513 0.041 A 6 GLN CB C 13 30.464 0.071 A 6 GLN CG C 13 34.143 0.027 A 6 GLN N N 15 120.807 0.02 A 6 GLN NE2 N 15 112.126 0.045 A 7 CYS H H 1 8.379 0.002 A 7 CYS HA H 1 4.984 0.004 A 7 CYS HBx H 1 2.773 0.006 A 7 CYS HBy H 1 3.429 0.007 A 7 CYS C C 13 175.156 0.004 A 7 CYS CA C 13 52.441 0.025 A 7 CYS CB C 13 36.873 0.029 A 7 CYS N N 15 118.067 0.011 A 8 ASN H H 1 9.001 0.003 A 8 ASN HA H 1 4.466 0.003 A 8 ASN HBx H 1 2.784 0.004 A 8 ASN HBy H 1 2.785 0.004 A 8 ASN HD21 H 1 7.701 0.002 A 8 ASN HD22 H 1 6.961 0.003 A 8 ASN C C 13 175.835 0.007 A 8 ASN CA C 13 55.606 0.023 A 8 ASN CB C 13 38.610 0.019 A 8 ASN N N 15 121.746 0.014 A 8 ASN ND2 N 15 113.444 0.025 A 9 ALA H H 1 8.281 0.002 A 9 ALA HA H 1 4.467 0.004 A 9 ALA HB% H 1 1.406 0.006 A 9 ALA C C 13 176.523 0.019 A 9 ALA CA C 13 52.397 0.025 A 9 ALA CB C 13 20.439 0.034 A 9 ALA N N 15 120.823 0.052 A 10 GLY H H 1 7.661 0.003 A 10 GLY HAy H 1 4.231 0.004 A 10 GLY HAx H 1 3.905 0.004 A 10 GLY C C 13 170.069 . A 10 GLY CA C 13 44.741 0.019 A 10 GLY N N 15 107.441 0.036 A 11 PRO HA H 1 4.538 0.003 A 11 PRO HBy H 1 2.277 0.002 A 11 PRO HBx H 1 1.882 0.008 A 11 PRO HDy H 1 3.505 0.012 A 11 PRO HDx H 1 3.503 0.012 A 11 PRO HGy H 1 1.956 0.004 A 11 PRO HGx H 1 1.795 0.012 A 11 PRO C C 13 176.379 . A 11 PRO CA C 13 62.284 0.015 A 11 PRO CB C 13 32.246 0.099 A 11 PRO CD C 13 49.435 0.026 A 11 PRO CG C 13 26.876 0.071 A 12 VAL H H 1 8.344 0.002 A 12 VAL HA H 1 3.973 0.003 A 12 VAL HB H 1 1.870 0.009 A 12 VAL HGx% H 1 1.036 0.005 A 12 VAL HGy% H 1 0.937 0.017 A 12 VAL C C 13 175.235 0.006 A 12 VAL CA C 13 64.540 0.036 A 12 VAL CB C 13 32.025 0.043 A 12 VAL CGy C 13 22.764 0.081 A 12 VAL CGx C 13 22.520 0.11 A 12 VAL N N 15 122.156 0.019 A 13 GLN H H 1 8.989 0.005 A 13 GLN HA H 1 4.557 0.004 A 13 GLN HBy H 1 1.972 0.01 A 13 GLN HBx H 1 1.654 0.006 A 13 GLN HE21 H 1 6.657 0.002 A 13 GLN HE22 H 1 6.188 0.009 A 13 GLN HGy H 1 2.546 0.016 A 13 GLN HGx H 1 1.736 0.011 A 13 GLN C C 13 175.038 0.003 A 13 GLN CA C 13 53.299 0.035 A 13 GLN CB C 13 31.633 0.078 A 13 GLN CG C 13 32.864 0.044 A 13 GLN N N 15 123.689 0.008 A 13 GLN NE2 N 15 107.861 0.043 A 14 CYS H H 1 9.474 0.011 A 14 CYS HA H 1 5.033 0.008 A 14 CYS HBy H 1 3.400 0.004 A 14 CYS HBx H 1 2.672 0.003 A 14 CYS C C 13 175.269 0.087 A 14 CYS CA C 13 54.065 0.024 A 14 CYS CB C 13 38.819 0.047 A 14 CYS N N 15 120.868 0.015 A 15 CYS H H 1 8.892 0.003 A 15 CYS HA H 1 5.356 0.008 A 15 CYS HBx H 1 2.721 0.011 A 15 CYS HBy H 1 2.721 0.012 A 15 CYS C C 13 174.446 0.0 A 15 CYS CA C 13 55.169 0.048 A 15 CYS CB C 13 46.628 0.03 A 15 CYS N N 15 127.265 0.014 A 16 ASN H H 1 8.289 0.003 A 16 ASN HA H 1 4.379 0.003 A 16 ASN HBy H 1 2.966 0.008 A 16 ASN HBx H 1 2.866 0.008 A 16 ASN HD21 H 1 7.751 0.005 A 16 ASN HD22 H 1 7.077 0.0 A 16 ASN C C 13 175.418 0.014 A 16 ASN CA C 13 57.327 0.049 A 16 ASN CB C 13 39.316 0.021 A 16 ASN N N 15 126.290 0.009 A 16 ASN ND2 N 15 112.307 0.015 A 17 THR H H 1 7.553 0.002 A 17 THR HA H 1 4.479 0.003 A 17 THR HB H 1 3.714 0.004 A 17 THR HG2% H 1 1.083 0.005 A 17 THR C C 13 172.392 . A 17 THR CA C 13 61.404 0.031 A 17 THR CB C 13 72.872 0.015 A 17 THR CG2 C 13 21.674 0.025 A 17 THR N N 15 110.091 0.015 A 18 LEU H H 1 8.705 0.002 A 18 LEU HA H 1 5.198 0.004 A 18 LEU HBy H 1 1.655 0.004 A 18 LEU HBx H 1 1.525 0.01 A 18 LEU HDx% H 1 0.733 0.007 A 18 LEU HDy% H 1 0.607 0.002 A 18 LEU HG H 1 1.326 0.007 A 18 LEU C C 13 175.401 0.005 A 18 LEU CA C 13 54.048 0.035 A 18 LEU CB C 13 42.047 0.038 A 18 LEU CDy C 13 25.897 0.005 A 18 LEU CDx C 13 23.511 0.023 A 18 LEU CG C 13 27.261 0.033 A 18 LEU N N 15 126.691 0.024 A 19 THR H H 1 8.828 0.006 A 19 THR HA H 1 4.759 0.015 A 19 THR HB H 1 4.052 0.005 A 19 THR HG2% H 1 0.973 0.006 A 19 THR C C 13 173.443 0.006 A 19 THR CA C 13 59.097 . A 19 THR CB C 13 68.407 0.036 A 19 THR CG2 C 13 17.573 0.035 A 19 THR N N 15 120.204 0.023 A 20 SER H H 1 8.883 0.003 A 20 SER HA H 1 5.435 0.003 A 20 SER HB2 H 1 4.009 0.019 A 20 SER C C 13 175.525 0.003 A 20 SER CA C 13 56.902 0.084 A 20 SER CB C 13 66.376 0.009 A 20 SER N N 15 119.108 0.015 A 21 ALA H H 1 8.520 0.006 A 21 ALA HA H 1 3.719 0.015 A 21 ALA HB% H 1 1.385 0.015 A 21 ALA C C 13 176.571 0.008 A 21 ALA CA C 13 55.232 0.033 A 21 ALA CB C 13 19.024 0.023 A 21 ALA N N 15 123.689 0.009 A 22 SER H H 1 7.684 0.004 A 22 SER HA H 1 4.236 0.006 A 22 SER HBy H 1 4.007 0.004 A 22 SER HBx H 1 3.894 0.007 A 22 SER C C 13 175.601 0.0 A 22 SER CA C 13 58.553 0.029 A 22 SER CB C 13 63.500 0.062 A 22 SER N N 15 106.922 0.007 A 23 ASN H H 1 7.914 0.003 A 23 ASN HA H 1 4.443 0.003 A 23 ASN HBy H 1 3.287 0.003 A 23 ASN HBx H 1 2.817 0.005 A 23 ASN HD21 H 1 7.205 0.002 A 23 ASN HD22 H 1 7.913 0.002 A 23 ASN C C 13 176.447 . A 23 ASN CA C 13 54.845 0.022 A 23 ASN CB C 13 42.050 0.022 A 23 ASN N N 15 125.053 0.011 A 23 ASN ND2 N 15 114.821 0.022 A 24 SER H H 1 9.091 0.002 A 24 SER HA H 1 4.071 0.015 A 24 SER HB2 H 1 3.941 0.004 A 24 SER C C 13 176.567 0.076 A 24 SER CA C 13 62.402 0.093 A 24 SER CB C 13 62.561 0.08 A 24 SER N N 15 122.137 0.019 A 25 GLN H H 1 8.166 0.004 A 25 GLN HA H 1 4.179 0.008 A 25 GLN HBy H 1 2.229 0.012 A 25 GLN HBx H 1 2.100 0.004 A 25 GLN HE21 H 1 6.844 0.001 A 25 GLN HE22 H 1 7.540 0.003 A 25 GLN HGy H 1 2.488 0.004 A 25 GLN HGx H 1 2.242 0.007 A 25 GLN C C 13 178.761 0.011 A 25 GLN CA C 13 58.613 0.054 A 25 GLN CB C 13 28.601 0.053 A 25 GLN CG C 13 34.275 0.034 A 25 GLN N N 15 121.524 0.014 A 25 GLN NE2 N 15 111.064 0.031 A 26 ALA H H 1 7.824 0.003 A 26 ALA HA H 1 3.927 0.012 A 26 ALA HB% H 1 1.412 0.008 A 26 ALA C C 13 178.539 0.018 A 26 ALA CA C 13 54.932 0.029 A 26 ALA CB C 13 20.339 0.061 A 26 ALA N N 15 122.235 0.017 A 27 ALA H H 1 9.021 0.004 A 27 ALA HA H 1 4.009 0.007 A 27 ALA HB% H 1 1.431 0.01 A 27 ALA C C 13 181.000 0.004 A 27 ALA CA C 13 55.570 0.047 A 27 ALA CB C 13 18.136 0.045 A 27 ALA N N 15 119.960 0.018 A 28 GLY H H 1 7.782 0.004 A 28 GLY HAx H 1 3.942 0.015 A 28 GLY HAy H 1 3.944 0.013 A 28 GLY C C 13 176.399 0.011 A 28 GLY CA C 13 47.067 0.051 A 28 GLY N N 15 104.500 0.011 A 29 LEU H H 1 7.388 0.003 A 29 LEU HA H 1 4.056 0.014 A 29 LEU HBy H 1 2.155 0.008 A 29 LEU HBx H 1 1.363 0.012 A 29 LEU HDx% H 1 0.966 0.013 A 29 LEU HDy% H 1 0.938 0.019 A 29 LEU HG H 1 1.874 0.007 A 29 LEU C C 13 179.006 0.014 A 29 LEU CA C 13 57.913 0.06 A 29 LEU CB C 13 42.680 0.035 A 29 LEU CDy C 13 27.423 0.04 A 29 LEU CDx C 13 22.572 0.01 A 29 LEU CG C 13 27.314 0.049 A 29 LEU N N 15 123.755 0.005 A 30 ILE H H 1 8.281 0.008 A 30 ILE HA H 1 3.321 0.006 A 30 ILE HB H 1 1.902 0.009 A 30 ILE HD1% H 1 0.853 0.01 A 30 ILE HG1x H 1 0.717 0.012 A 30 ILE HG1y H 1 1.869 0.006 A 30 ILE HG2% H 1 0.877 0.009 A 30 ILE C C 13 178.325 0.011 A 30 ILE CA C 13 65.861 0.017 A 30 ILE CB C 13 38.691 0.032 A 30 ILE CD1 C 13 14.274 0.046 A 30 ILE CG1 C 13 31.907 0.039 A 30 ILE CG2 C 13 17.538 0.043 A 30 ILE N N 15 120.668 0.035 A 31 GLN H H 1 8.013 0.004 A 31 GLN HA H 1 4.131 0.009 A 31 GLN HBx H 1 2.165 0.009 A 31 GLN HBy H 1 2.165 0.01 A 31 GLN HE21 H 1 6.807 0.013 A 31 GLN HE22 H 1 7.430 0.013 A 31 GLN HGx H 1 2.398 0.008 A 31 GLN HGy H 1 2.494 0.004 A 31 GLN C C 13 179.815 0.01 A 31 GLN CA C 13 58.621 0.047 A 31 GLN CB C 13 28.324 0.052 A 31 GLN CG C 13 34.011 0.101 A 31 GLN N N 15 118.737 0.018 A 31 GLN NE2 N 15 111.485 0.014 A 32 GLN H H 1 8.013 0.003 A 32 GLN HA H 1 3.988 0.006 A 32 GLN HB2 H 1 2.185 0.006 A 32 GLN HE21 H 1 6.795 0.001 A 32 GLN HE22 H 1 7.496 0.001 A 32 GLN HGy H 1 2.589 0.005 A 32 GLN HGx H 1 2.335 0.014 A 32 GLN C C 13 177.893 0.003 A 32 GLN CA C 13 58.794 0.037 A 32 GLN CB C 13 28.649 0.023 A 32 GLN CG C 13 33.856 0.033 A 32 GLN N N 15 120.202 0.023 A 32 GLN NE2 N 15 111.216 0.005 A 33 LEU H H 1 7.094 0.003 A 33 LEU HA H 1 4.151 0.004 A 33 LEU HBx H 1 1.280 0.007 A 33 LEU HBy H 1 1.621 0.005 A 33 LEU HDx% H 1 0.528 0.006 A 33 LEU HDy% H 1 0.784 0.01 A 33 LEU HG H 1 1.626 0.016 A 33 LEU C C 13 177.680 0.031 A 33 LEU CA C 13 54.956 0.034 A 33 LEU CB C 13 43.859 0.045 A 33 LEU CDy C 13 26.487 0.044 A 33 LEU CDx C 13 21.782 0.043 A 33 LEU CG C 13 26.719 0.046 A 33 LEU N N 15 116.240 0.017 A 34 GLY H H 1 7.889 0.003 A 34 GLY HAx H 1 3.831 0.017 A 34 GLY HAy H 1 3.909 0.015 A 34 GLY C C 13 175.174 0.008 A 34 GLY CA C 13 46.070 0.011 A 34 GLY N N 15 108.158 0.027 A 35 LEU H H 1 6.930 0.004 A 35 LEU HA H 1 4.222 0.005 A 35 LEU HBy H 1 1.532 0.009 A 35 LEU HBx H 1 1.360 0.012 A 35 LEU HDx% H 1 0.522 0.014 A 35 LEU HDy% H 1 0.557 0.02 A 35 LEU HG H 1 1.365 0.007 A 35 LEU C C 13 176.896 0.005 A 35 LEU CA C 13 54.834 0.009 A 35 LEU CB C 13 41.979 0.03 A 35 LEU CDy C 13 25.085 0.047 A 35 LEU CDx C 13 21.797 0.016 A 35 LEU CG C 13 26.350 0.056 A 35 LEU N N 15 117.369 0.008 A 36 SER H H 1 8.496 0.002 A 36 SER HA H 1 4.596 0.005 A 36 SER HB2 H 1 3.775 0.003 A 36 SER C C 13 174.855 0.004 A 36 SER CA C 13 57.525 0.055 A 36 SER CB C 13 64.830 0.023 A 36 SER N N 15 117.906 0.019 A 37 GLY H H 1 8.628 0.003 A 37 GLY HAx H 1 3.784 0.006 A 37 GLY HAy H 1 3.900 0.005 A 37 GLY C C 13 174.570 0.013 A 37 GLY CA C 13 46.129 0.024 A 37 GLY N N 15 110.241 0.015 A 38 VAL H H 1 8.140 0.003 A 38 VAL HA H 1 3.892 0.015 A 38 VAL HB H 1 2.008 0.009 A 38 VAL HGx% H 1 0.858 0.01 A 38 VAL HGy% H 1 0.776 0.014 A 38 VAL C C 13 176.261 0.005 A 38 VAL CA C 13 62.620 0.039 A 38 VAL CB C 13 31.087 0.043 A 38 VAL CGx C 13 21.563 0.027 A 38 VAL CGy C 13 21.585 0.035 A 38 VAL N N 15 122.090 0.018 A 39 GLY H H 1 8.373 0.007 A 39 GLY HAx H 1 3.846 0.014 A 39 GLY HAy H 1 3.942 0.008 A 39 GLY C C 13 173.381 0.005 A 39 GLY CA C 13 45.392 0.043 A 39 GLY N N 15 117.038 0.025 A 40 ALA H H 1 8.166 0.012 A 40 ALA HA H 1 3.914 0.007 A 40 ALA HB% H 1 1.370 0.013 A 40 ALA C C 13 177.887 0.002 A 40 ALA CA C 13 54.948 0.05 A 40 ALA CB C 13 19.495 0.053 A 40 ALA N N 15 120.870 0.013 A 41 ASN H H 1 8.320 0.005 A 41 ASN HA H 1 4.895 0.002 A 41 ASN HBy H 1 2.931 0.005 A 41 ASN HBx H 1 2.771 0.01 A 41 ASN HD21 H 1 6.952 0.005 A 41 ASN HD22 H 1 7.593 0.008 A 41 ASN C C 13 175.921 0.016 A 41 ASN CA C 13 51.922 0.054 A 41 ASN CB C 13 38.609 0.073 A 41 ASN N N 15 110.048 0.024 A 41 ASN ND2 N 15 113.266 0.033 A 42 VAL H H 1 7.584 0.006 A 42 VAL HA H 1 4.063 0.011 A 42 VAL HB H 1 2.052 0.006 A 42 VAL HGx% H 1 0.989 0.006 A 42 VAL HGy% H 1 1.111 0.013 A 42 VAL C C 13 173.932 . A 42 VAL CA C 13 61.659 0.022 A 42 VAL CB C 13 33.081 0.054 A 42 VAL CGx C 13 19.811 0.034 A 42 VAL CGy C 13 23.656 0.02 A 42 VAL N N 15 125.861 0.01 A 43 PRO HA H 1 4.967 0.009 A 43 PRO HBy H 1 2.360 0.016 A 43 PRO HBx H 1 2.210 0.008 A 43 PRO HDx H 1 3.871 0.004 A 43 PRO HDy H 1 3.961 0.006 A 43 PRO HG2 H 1 2.094 0.003 A 43 PRO C C 13 178.028 . A 43 PRO CA C 13 62.308 0.019 A 43 PRO CB C 13 31.984 0.036 A 43 PRO CD C 13 51.321 0.017 A 43 PRO CG C 13 28.310 0.043 A 44 VAL H H 1 9.028 0.004 A 44 VAL HA H 1 4.931 0.004 A 44 VAL HB H 1 2.532 0.014 A 44 VAL HGx% H 1 0.936 0.013 A 44 VAL HGy% H 1 0.433 0.007 A 44 VAL C C 13 173.804 0.002 A 44 VAL CA C 13 58.351 0.042 A 44 VAL CB C 13 34.857 0.044 A 44 VAL CGy C 13 21.926 0.049 A 44 VAL CGx C 13 19.355 0.028 A 44 VAL N N 15 118.962 0.03 A 45 GLY H H 1 9.350 0.004 A 45 GLY HAy H 1 5.270 0.013 A 45 GLY HAx H 1 3.410 0.004 A 45 GLY C C 13 171.455 0.005 A 45 GLY CA C 13 44.176 0.038 A 45 GLY N N 15 110.342 0.017 A 46 ILE H H 1 8.658 0.008 A 46 ILE HA H 1 4.159 0.005 A 46 ILE HB H 1 1.641 0.003 A 46 ILE HD1% H 1 0.569 0.012 A 46 ILE HG1y H 1 1.247 0.018 A 46 ILE HG1x H 1 0.875 0.014 A 46 ILE HG2% H 1 0.847 0.006 A 46 ILE C C 13 175.323 0.005 A 46 ILE CA C 13 59.745 0.028 A 46 ILE CB C 13 39.066 0.021 A 46 ILE CD1 C 13 12.069 0.024 A 46 ILE CG1 C 13 27.044 0.019 A 46 ILE CG2 C 13 17.384 0.051 A 46 ILE N N 15 121.908 0.028 A 47 ASN H H 1 8.691 0.002 A 47 ASN HA H 1 4.260 0.008 A 47 ASN HBx H 1 2.734 0.005 A 47 ASN HBy H 1 3.171 0.003 A 47 ASN HD21 H 1 6.929 0.0 A 47 ASN HD22 H 1 7.449 0.002 A 47 ASN C C 13 173.923 0.008 A 47 ASN CA C 13 54.830 0.034 A 47 ASN CB C 13 37.162 0.021 A 47 ASN N N 15 125.324 0.038 A 47 ASN ND2 N 15 111.856 0.022 A 48 CYS H H 1 9.394 0.002 A 48 CYS HA H 1 5.137 0.005 A 48 CYS HBy H 1 2.867 0.006 A 48 CYS HBx H 1 2.740 0.006 A 48 CYS C C 13 173.572 . A 48 CYS CA C 13 56.260 0.035 A 48 CYS CB C 13 43.981 0.03 A 48 CYS N N 15 120.724 0.021 A 49 ASN H H 1 8.200 0.003 A 49 ASN HA H 1 5.163 0.004 A 49 ASN HBy H 1 2.656 0.012 A 49 ASN HBx H 1 2.556 0.005 A 49 ASN HD21 H 1 6.812 0.003 A 49 ASN HD22 H 1 7.543 0.003 A 49 ASN C C 13 172.154 . A 49 ASN CA C 13 50.923 0.041 A 49 ASN CB C 13 42.056 0.038 A 49 ASN N N 15 121.763 0.011 A 49 ASN ND2 N 15 114.968 0.019 A 50 PRO HA H 1 4.539 0.006 A 50 PRO HBx H 1 1.781 0.005 A 50 PRO HBy H 1 2.101 0.018 A 50 PRO HDx H 1 3.725 0.004 A 50 PRO HDy H 1 3.925 0.008 A 50 PRO HG2 H 1 2.050 0.004 A 50 PRO C C 13 177.281 . A 50 PRO CA C 13 62.912 0.114 A 50 PRO CB C 13 32.293 0.046 A 50 PRO CD C 13 50.346 0.024 A 50 PRO CG C 13 27.418 0.027 A 51 ILE H H 1 8.618 0.004 A 51 ILE HA H 1 4.234 0.005 A 51 ILE HB H 1 1.767 0.004 A 51 ILE HD1% H 1 0.758 0.012 A 51 ILE HG1x H 1 0.995 0.009 A 51 ILE HG1y H 1 1.448 0.008 A 51 ILE HG2% H 1 0.855 0.008 A 51 ILE C C 13 176.222 0.02 A 51 ILE CA C 13 61.726 0.016 A 51 ILE CB C 13 38.481 0.035 A 51 ILE CD1 C 13 13.665 0.029 A 51 ILE CG1 C 13 27.882 0.058 A 51 ILE CG2 C 13 17.803 0.069 A 51 ILE N N 15 121.546 0.015 A 52 THR H H 1 8.178 0.004 A 52 THR HA H 1 4.440 0.003 A 52 THR HB H 1 4.257 0.006 A 52 THR HG2% H 1 1.168 0.009 A 52 THR C C 13 174.830 0.005 A 52 THR CA C 13 61.426 0.046 A 52 THR CB C 13 70.155 0.004 A 52 THR CG2 C 13 21.519 0.021 A 52 THR N N 15 117.300 0.041 A 53 GLY H H 1 8.254 0.002 A 53 GLY HA2 H 1 3.992 0.01 A 53 GLY C C 13 174.020 0.001 A 53 GLY CA C 13 45.291 0.027 A 53 GLY N N 15 109.889 0.012 A 54 ILE H H 1 8.075 0.002 A 54 ILE HA H 1 4.171 0.004 A 54 ILE HB H 1 1.844 0.005 A 54 ILE HD1% H 1 0.854 0.004 A 54 ILE HG1y H 1 1.438 0.004 A 54 ILE HG1x H 1 1.148 0.009 A 54 ILE HG2% H 1 0.869 0.015 A 54 ILE C C 13 176.940 . A 54 ILE CA C 13 61.502 0.028 A 54 ILE CB C 13 38.869 0.038 A 54 ILE CD1 C 13 13.210 0.023 A 54 ILE CG1 C 13 27.442 0.049 A 54 ILE CG2 C 13 17.744 0.104 A 54 ILE N N 15 119.556 0.005 A 55 GLY H H 1 8.580 0.006 A 55 GLY HAx H 1 3.872 0.015 A 55 GLY HAy H 1 3.998 0.004 A 55 GLY C C 13 174.109 0.0 A 55 GLY CA C 13 45.309 0.056 A 55 GLY N N 15 113.141 0.037 A 56 ALA H H 1 8.186 0.002 A 56 ALA HA H 1 4.318 0.009 A 56 ALA HB% H 1 1.366 0.005 A 56 ALA C C 13 178.310 0.005 A 56 ALA CA C 13 52.738 0.018 A 56 ALA CB C 13 19.131 0.027 A 56 ALA N N 15 123.924 0.016 A 57 GLY H H 1 8.465 0.002 A 57 GLY HAx H 1 3.931 0.009 A 57 GLY HAy H 1 4.038 0.004 A 57 GLY C C 13 174.640 0.001 A 57 GLY CA C 13 45.501 0.018 A 57 GLY N N 15 108.376 0.015 A 58 SER H H 1 8.214 0.002 A 58 SER HA H 1 4.434 0.002 A 58 SER HB2 H 1 3.883 0.0 A 58 SER C C 13 175.317 0.0 A 58 SER CA C 13 58.720 0.024 A 58 SER CB C 13 63.838 0.021 A 58 SER N N 15 115.776 0.024 A 59 GLY H H 1 8.534 0.001 A 59 GLY HA2 H 1 3.989 0.003 A 59 GLY C C 13 174.281 0.006 A 59 GLY CA C 13 45.621 0.021 A 59 GLY N N 15 110.971 0.013 A 60 SER H H 1 8.123 0.002 A 60 SER HA H 1 4.469 0.02 A 60 SER HB2 H 1 3.844 0.013 A 60 SER C C 13 174.410 0.019 A 60 SER CA C 13 58.446 0.0 A 60 SER CB C 13 63.959 0.013 A 60 SER N N 15 115.224 0.008 A 61 SER H H 1 8.223 0.011 A 61 SER HA H 1 4.430 0.002 A 61 SER HB2 H 1 3.845 0.002 A 61 SER C C 13 173.534 0.005 A 61 SER CA C 13 58.434 0.051 A 61 SER CB C 13 64.049 0.014 A 61 SER N N 15 116.790 0.04 A 62 CYS H H 1 8.482 0.002 A 62 CYS HA H 1 4.926 0.005 A 62 CYS HBx H 1 2.914 0.013 A 62 CYS HBy H 1 2.914 0.013 A 62 CYS C C 13 173.415 0.014 A 62 CYS CA C 13 54.447 0.031 A 62 CYS CB C 13 38.188 0.039 A 62 CYS N N 15 119.312 0.017 A 63 ASN H H 1 9.060 0.003 A 63 ASN HA H 1 4.895 0.007 A 63 ASN HBx H 1 2.829 0.005 A 63 ASN HBy H 1 2.892 0.009 A 63 ASN HD21 H 1 7.560 0.011 A 63 ASN HD22 H 1 6.856 0.004 A 63 ASN C C 13 173.793 0.015 A 63 ASN CA C 13 53.021 0.012 A 63 ASN CB C 13 38.229 0.015 A 63 ASN N N 15 128.283 0.02 A 63 ASN ND2 N 15 111.985 0.057 A 64 ALA H H 1 7.215 0.001 A 64 ALA HA H 1 4.677 0.003 A 64 ALA HB% H 1 1.404 0.01 A 64 ALA C C 13 174.608 0.008 A 64 ALA CA C 13 51.242 0.018 A 64 ALA CB C 13 19.228 0.092 A 64 ALA N N 15 124.300 0.029 A 65 ASN H H 1 7.894 0.005 A 65 ASN HA H 1 5.301 0.007 A 65 ASN HBy H 1 2.891 0.006 A 65 ASN HBx H 1 2.286 0.003 A 65 ASN HD21 H 1 6.694 0.004 A 65 ASN HD22 H 1 7.239 0.007 A 65 ASN C C 13 171.809 . A 65 ASN CA C 13 51.323 0.03 A 65 ASN CB C 13 40.678 0.03 A 65 ASN N N 15 119.337 0.022 A 65 ASN ND2 N 15 115.528 0.03 A 66 PRO HA H 1 5.399 0.009 A 66 PRO HBx H 1 1.968 0.005 A 66 PRO HBy H 1 1.968 0.005 A 66 PRO HDy H 1 4.029 0.004 A 66 PRO HDx H 1 3.823 0.007 A 66 PRO HGy H 1 2.312 0.009 A 66 PRO HGx H 1 1.839 0.007 A 66 PRO C C 13 177.108 . A 66 PRO CA C 13 62.340 0.067 A 66 PRO CB C 13 31.705 0.068 A 66 PRO CD C 13 51.320 0.031 A 66 PRO CG C 13 27.987 0.035 A 67 ALA H H 1 9.524 0.003 A 67 ALA HA H 1 5.005 0.004 A 67 ALA HB% H 1 1.021 0.004 A 67 ALA C C 13 174.879 0.001 A 67 ALA CA C 13 51.541 0.059 A 67 ALA CB C 13 23.665 0.019 A 67 ALA N N 15 126.474 0.034 A 68 CYS H H 1 8.473 0.004 A 68 CYS HA H 1 5.287 0.003 A 68 CYS HBy H 1 3.284 0.004 A 68 CYS HBx H 1 2.764 0.01 A 68 CYS C C 13 175.433 0.025 A 68 CYS CA C 13 52.455 0.03 A 68 CYS CB C 13 38.185 0.06 A 68 CYS N N 15 117.190 0.013 A 69 CYS H H 1 9.193 0.004 A 69 CYS HA H 1 5.667 0.004 A 69 CYS HBy H 1 2.661 0.003 A 69 CYS HBx H 1 2.522 0.011 A 69 CYS C C 13 173.972 0.006 A 69 CYS CA C 13 54.236 0.064 A 69 CYS CB C 13 48.879 0.025 A 69 CYS N N 15 122.735 0.025 A 70 ASP H H 1 8.090 0.002 A 70 ASP HA H 1 4.321 0.006 A 70 ASP HBy H 1 2.773 0.004 A 70 ASP HBx H 1 2.629 0.018 A 70 ASP C C 13 176.586 0.002 A 70 ASP CA C 13 57.460 0.017 A 70 ASP CB C 13 40.283 0.038 A 70 ASP N N 15 124.492 0.013 A 71 ASN H H 1 7.343 0.004 A 71 ASN HA H 1 4.691 0.005 A 71 ASN HBx H 1 2.065 0.005 A 71 ASN HBy H 1 2.283 0.003 A 71 ASN HD21 H 1 7.236 0.006 A 71 ASN HD22 H 1 6.725 0.003 A 71 ASN C C 13 172.896 0.003 A 71 ASN CA C 13 53.159 0.024 A 71 ASN CB C 13 43.936 0.025 A 71 ASN N N 15 112.124 0.009 A 71 ASN ND2 N 15 112.261 0.023 A 72 VAL H H 1 8.122 0.002 A 72 VAL HA H 1 4.831 0.006 A 72 VAL HB H 1 1.664 0.006 A 72 VAL HGx% H 1 0.619 0.01 A 72 VAL HGy% H 1 0.683 0.014 A 72 VAL C C 13 175.146 0.009 A 72 VAL CA C 13 61.363 0.0 A 72 VAL CB C 13 34.246 0.046 A 72 VAL CGx C 13 20.598 0.071 A 72 VAL CGy C 13 21.030 0.074 A 72 VAL N N 15 120.785 0.023 A 73 TYR H H 1 8.763 0.003 A 73 TYR HA H 1 4.742 0.003 A 73 TYR HBy H 1 3.352 0.008 A 73 TYR HBx H 1 2.990 0.005 A 73 TYR HD1 H 1 7.241 0.011 A 73 TYR HD2 H 1 7.241 0.011 A 73 TYR HE1 H 1 6.599 0.003 A 73 TYR HE2 H 1 6.599 0.003 A 73 TYR C C 13 178.543 0.008 A 73 TYR CA C 13 58.339 0.015 A 73 TYR CB C 13 41.706 0.027 A 73 TYR CD1 C 13 133.568 . A 73 TYR CD2 C 13 133.568 . A 73 TYR CE1 C 13 117.588 . A 73 TYR CE2 C 13 117.588 . A 73 TYR N N 15 125.853 0.02 A 74 THR H H 1 8.881 0.003 A 74 THR HA H 1 4.107 0.002 A 74 THR HB H 1 4.417 0.003 A 74 THR HG2% H 1 1.396 0.003 A 74 THR C C 13 174.484 0.01 A 74 THR CA C 13 64.823 0.028 A 74 THR CB C 13 68.931 0.032 A 74 THR CG2 C 13 21.957 0.023 A 74 THR N N 15 113.024 0.018 A 75 ASN H H 1 7.452 0.003 A 75 ASN HA H 1 4.765 0.002 A 75 ASN HBx H 1 2.859 0.004 A 75 ASN HBy H 1 3.304 0.012 A 75 ASN HD21 H 1 5.427 0.005 A 75 ASN HD22 H 1 7.858 0.005 A 75 ASN C C 13 176.378 . A 75 ASN CA C 13 52.041 0.008 A 75 ASN CB C 13 37.557 0.037 A 75 ASN N N 15 116.493 0.009 A 75 ASN ND2 N 15 106.725 0.032 A 76 GLY H H 1 8.311 0.003 A 76 GLY HAx H 1 3.774 0.007 A 76 GLY HAy H 1 4.347 0.005 A 76 GLY C C 13 172.787 0.014 A 76 GLY CA C 13 45.628 0.018 A 76 GLY N N 15 108.467 0.016 A 77 LEU H H 1 7.259 0.012 A 77 LEU HA H 1 4.761 0.008 A 77 LEU HBx H 1 1.317 0.017 A 77 LEU HBy H 1 2.001 0.004 A 77 LEU HDx% H 1 0.630 0.011 A 77 LEU HDy% H 1 0.949 0.01 A 77 LEU HG H 1 1.448 0.011 A 77 LEU C C 13 175.784 0.003 A 77 LEU CA C 13 54.794 0.03 A 77 LEU CB C 13 43.471 0.054 A 77 LEU CDy C 13 28.079 0.06 A 77 LEU CDx C 13 23.149 0.029 A 77 LEU CG C 13 27.226 0.036 A 77 LEU N N 15 120.389 0.027 A 78 GLY H H 1 9.688 0.002 A 78 GLY HAy H 1 5.329 0.004 A 78 GLY HAx H 1 3.480 0.004 A 78 GLY C C 13 173.579 0.008 A 78 GLY CA C 13 44.832 0.04 A 78 GLY N N 15 115.617 0.015 A 79 VAL H H 1 8.969 0.005 A 79 VAL HA H 1 4.318 0.005 A 79 VAL HB H 1 2.024 0.008 A 79 VAL HGx% H 1 0.942 0.007 A 79 VAL HGy% H 1 1.040 0.016 A 79 VAL C C 13 175.122 0.033 A 79 VAL CA C 13 62.543 0.033 A 79 VAL CB C 13 34.636 0.053 A 79 VAL CGx C 13 22.116 0.07 A 79 VAL CGy C 13 22.514 0.108 A 79 VAL N N 15 123.605 0.027 A 80 GLN H H 1 7.872 0.008 A 80 GLN HA H 1 3.864 0.007 A 80 GLN HBx H 1 2.074 0.007 A 80 GLN HBy H 1 2.674 0.005 A 80 GLN HE21 H 1 6.839 0.004 A 80 GLN HE22 H 1 7.704 0.014 A 80 GLN HGy H 1 2.498 0.009 A 80 GLN HGx H 1 2.333 0.011 A 80 GLN C C 13 174.038 0.0 A 80 GLN CA C 13 56.741 0.025 A 80 GLN CB C 13 26.113 0.032 A 80 GLN CG C 13 34.115 0.028 A 80 GLN N N 15 125.966 0.03 A 80 GLN NE2 N 15 112.400 0.025 A 81 CYS H H 1 6.943 0.003 A 81 CYS HA H 1 5.653 0.005 A 81 CYS HBy H 1 2.369 0.004 A 81 CYS HBx H 1 2.142 0.013 A 81 CYS C C 13 172.751 0.014 A 81 CYS CA C 13 54.153 0.061 A 81 CYS CB C 13 45.621 0.02 A 81 CYS N N 15 118.104 0.025 A 82 ASN H H 1 8.858 0.006 A 82 ASN HA H 1 5.228 0.005 A 82 ASN HBx H 1 2.609 0.004 A 82 ASN HBy H 1 2.708 0.006 A 82 ASN HD21 H 1 6.955 0.005 A 82 ASN HD22 H 1 7.513 0.002 A 82 ASN C C 13 172.001 . A 82 ASN CA C 13 50.087 0.067 A 82 ASN CB C 13 41.045 0.024 A 82 ASN N N 15 120.709 0.022 A 82 ASN ND2 N 15 114.194 0.027 A 83 PRO HA H 1 4.655 0.002 A 83 PRO HBx H 1 1.952 0.009 A 83 PRO HBy H 1 2.287 0.002 A 83 PRO HDx H 1 3.798 0.003 A 83 PRO HDy H 1 3.798 0.003 A 83 PRO HGx H 1 1.990 0.009 A 83 PRO HGy H 1 2.079 0.006 A 83 PRO C C 13 176.280 . A 83 PRO CA C 13 62.724 0.035 A 83 PRO CB C 13 32.690 0.046 A 83 PRO CD C 13 50.906 0.02 A 83 PRO CG C 13 27.222 0.026 A 84 ILE H H 1 7.551 0.003 A 84 ILE HA H 1 4.367 0.004 A 84 ILE HB H 1 1.687 0.009 A 84 ILE HD1% H 1 0.779 0.008 A 84 ILE HG1x H 1 0.922 0.009 A 84 ILE HG1y H 1 1.309 0.011 A 84 ILE HG2% H 1 0.796 0.01 A 84 ILE C C 13 174.575 0.002 A 84 ILE CA C 13 59.981 0.068 A 84 ILE CB C 13 40.509 0.04 A 84 ILE CD1 C 13 14.518 0.062 A 84 ILE CG1 C 13 27.371 0.038 A 84 ILE CG2 C 13 17.899 0.028 A 84 ILE N N 15 118.443 0.009 A 85 ASN H H 1 8.486 0.002 A 85 ASN HA H 1 4.822 0.005 A 85 ASN HBy H 1 2.829 0.006 A 85 ASN HBx H 1 2.722 0.018 A 85 ASN HD21 H 1 7.585 0.002 A 85 ASN HD22 H 1 6.924 0.001 A 85 ASN C C 13 175.169 0.009 A 85 ASN CA C 13 52.636 0.014 A 85 ASN CB C 13 38.739 0.038 A 85 ASN N N 15 122.147 0.012 A 85 ASN ND2 N 15 112.371 0.023 A 86 VAL H H 1 8.161 0.004 A 86 VAL HA H 1 4.195 0.002 A 86 VAL HB H 1 2.148 0.013 A 86 VAL HGx% H 1 0.891 0.013 A 86 VAL HGy% H 1 0.874 0.008 A 86 VAL C C 13 175.344 0.011 A 86 VAL CA C 13 61.765 0.041 A 86 VAL CB C 13 32.781 0.02 A 86 VAL CGy C 13 21.514 0.027 A 86 VAL CGx C 13 19.785 0.032 A 86 VAL N N 15 119.506 0.007 A 87 ASN H H 1 8.426 0.003 A 87 ASN HA H 1 4.768 0.003 A 87 ASN HBy H 1 2.840 0.003 A 87 ASN HBx H 1 2.714 0.016 A 87 ASN HD21 H 1 7.597 0.001 A 87 ASN HD22 H 1 6.912 0.007 A 87 ASN C C 13 173.956 0.004 A 87 ASN CA C 13 53.316 0.01 A 87 ASN CB C 13 39.022 0.025 A 87 ASN N N 15 121.948 0.007 A 87 ASN ND2 N 15 113.292 0.021 A 88 LEU H H 1 7.767 0.002 A 88 LEU HA H 1 4.158 0.003 A 88 LEU HB2 H 1 1.559 0.003 A 88 LEU HDx% H 1 0.854 0.02 A 88 LEU HDy% H 1 0.886 0.008 A 88 LEU HG H 1 1.553 0.002 A 88 LEU C C 13 182.266 . A 88 LEU CA C 13 56.757 0.03 A 88 LEU CB C 13 43.485 0.025 A 88 LEU CDx C 13 23.590 0.071 A 88 LEU CDy C 13 25.380 0.043 A 88 LEU CG C 13 27.205 0.015 A 88 LEU N N 15 128.257 0.011 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 18 LEU HG A 18 LEU HDy% 1.0 1.623 2.905 2 2 A 18 LEU HDy% A 19 THR H 1.0 1.836 3.872 3 3 A 18 LEU HDy% A 46 ILE H 1.0 1.866 4.066 4 4 A 46 ILE HD1% A 19 THR HG2% 1.0 1.507 2.521 5 5 A 46 ILE HD1% A 46 ILE HG1y 1.0 1.462 2.390 6 6 A 46 ILE HD1% A 46 ILE HG1x 1.0 1.662 3.048 7 7 A 19 THR HG2% A 44 VAL HGy% 1.0 1.536 2.610 8 8 A 85 ASN HBy A 85 ASN HA 1.0 1.829 3.833 9 9 A 85 ASN HBy A 85 ASN HD22 1.0 1.803 3.687 10 10 A 85 ASN HBy A 85 ASN HD21 1.0 1.921 4.481 11 11 A 44 VAL HGy% A 44 VAL HA 1.0 1.858 4.008 12 12 A 44 VAL HGy% A 79 VAL HA 1.0 1.947 4.751 13 13 A 44 VAL HGy% A 46 ILE HA 1.0 1.963 4.951 14 14 A 44 VAL HGy% A 21 ALA HA 1.0 1.591 2.791 15 15 A 44 VAL HGy% A 44 VAL HB 1.0 1.547 2.645 16 16 A 44 VAL HGy% A 30 ILE HG1y 1.0 1.957 4.865 17 17 A 44 VAL HGy% A 26 ALA HB% 1.0 1.454 2.368 18 18 A 44 VAL HGy% A 44 VAL HGx% 1.0 1.406 2.234 19 19 A 44 VAL HGy% A 45 GLY H 1.0 1.835 3.871 20 20 A 44 VAL HGy% A 44 VAL H 1.0 1.620 2.892 21 21 A 19 THR H A 44 VAL HGy% 1.0 1.792 3.632 22 22 A 44 VAL HGy% A 21 ALA H 1.0 1.804 3.694 23 23 A 44 VAL HGy% A 45 GLY HAx 1.0 1.948 4.762 24 24 A 83 PRO HBy A 83 PRO HGx 1.0 1.557 2.677 25 25 A 83 PRO HBy A 83 PRO HBx 1.0 1.391 2.197 26 26 A 83 PRO HBy A 18 LEU HDx% 1.0 1.748 3.412 27 27 A 83 PRO HBy A 84 ILE H 1.0 1.892 4.244 28 28 A 78 GLY HAy A 69 CYS HBy 1.0 1.888 4.224 29 29 A 78 GLY HAy A 69 CYS HBx 1.0 1.922 4.496 30 30 A 78 GLY HAy A 77 LEU HDy% 1.0 1.858 4.006 31 31 A 78 GLY HAy A 72 VAL HGx% 1.0 1.722 3.294 32 32 A 78 GLY HAy A 72 VAL HA 1.0 1.924 4.516 33 33 A 79 VAL HA A 78 GLY HAy 1.0 1.945 4.729 34 34 A 45 GLY H A 78 GLY HAy 1.0 1.920 4.478 35 35 A 78 GLY HAy A 79 VAL H 1.0 1.697 3.187 36 36 A 88 LEU HA A 88 LEU HDx% 1.0 1.845 3.929 37 37 A 54 ILE HA A 54 ILE HD1% 1.0 1.936 4.640 38 38 A 54 ILE HD1% A 54 ILE HB 1.0 1.798 3.658 39 39 A 54 ILE HD1% A 54 ILE HG1y 1.0 1.503 2.507 40 40 A 40 ALA HB% A 22 SER HBx 1.0 1.386 2.182 41 41 A 40 ALA HB% A 22 SER HBy 1.0 1.699 3.197 42 42 A 40 ALA HB% A 40 ALA H 1.0 1.502 2.506 43 43 A 11 PRO HBx A 52 THR HG2% 1.0 1.863 4.041 44 44 A 11 PRO HBx A 11 PRO HBy 1.0 1.442 2.330 45 45 A 11 PRO HBx A 51 ILE H 1.0 1.952 4.814 46 46 A 11 PRO HBx A 13 GLN HE22 1.0 1.944 4.716 47 47 A 84 ILE HD1% A 6 GLN HBy 1.0 1.747 3.409 48 48 A 84 ILE HD1% A 84 ILE HB 1.0 1.679 3.117 49 49 A 84 ILE HD1% A 84 ILE HG1y 1.0 1.571 2.723 50 50 A 84 ILE HD1% A 85 ASN H 1.0 1.943 4.711 51 51 A 60 SER HB2 A 60 SER HA 1.0 1.609 2.855 52 52 A 18 LEU HA A 45 GLY HAy 1.0 1.873 4.111 53 53 A 18 LEU HA A 15 CYS HBy 1.0 1.937 4.649 54 54 A 18 LEU HA A 18 LEU HBy 1.0 1.747 3.409 55 55 A 18 LEU HA A 18 LEU HBx 1.0 1.700 3.202 56 56 A 18 LEU HG A 18 LEU HA 1.0 1.816 3.758 57 57 A 18 LEU HDx% A 18 LEU HA 1.0 1.860 4.022 58 58 A 18 LEU HA A 18 LEU H 1.0 1.772 3.528 59 59 A 45 GLY HAx A 18 LEU HA 1.0 1.743 3.389 60 60 A 13 GLN HBy A 48 CYS HBy 1.0 1.945 4.731 61 61 A 13 GLN HBy A 13 GLN HGx 1.0 1.839 3.895 62 62 A 13 GLN HBy A 13 GLN HBx 1.0 1.594 2.800 63 63 A 13 GLN HBy A 14 CYS H 1.0 1.913 4.415 64 64 A 88 LEU HBy A 88 LEU HDy% 1.0 1.776 3.546 65 65 A 85 ASN HA A 88 LEU HBy 1.0 1.954 4.832 66 66 A 47 ASN HA A 47 ASN HBy 1.0 1.653 3.013 67 67 A 47 ASN HA A 47 ASN HBx 1.0 1.670 3.080 68 68 A 47 ASN HA A 48 CYS H 1.0 1.605 2.841 69 69 A 47 ASN HA A 47 ASN H 1.0 1.513 2.541 70 70 A 47 ASN HA A 16 ASN H 1.0 1.946 4.740 71 71 A 35 LEU HBy A 35 LEU HBx 1.0 1.422 2.278 72 72 A 35 LEU HBy A 38 VAL HGy% 1.0 1.663 3.055 73 73 A 35 LEU HBy A 35 LEU HDy% 1.0 1.756 3.446 74 74 A 35 LEU HBy A 35 LEU HDx% 1.0 1.709 3.241 75 75 A 18 LEU HBy A 18 LEU HBx 1.0 1.447 2.347 76 76 A 35 LEU HBy A 35 LEU H 1.0 1.771 3.523 77 77 A 46 ILE HA A 46 ILE HB 1.0 1.839 3.889 78 78 A 46 ILE HG1x A 46 ILE HA 1.0 1.856 3.994 79 79 A 46 ILE HA A 29 LEU HDx% 1.0 1.724 3.304 80 80 A 46 ILE HD1% A 46 ILE HA 1.0 1.769 3.509 81 81 A 46 ILE HA A 47 ASN H 1.0 1.566 2.708 82 82 A 6 GLN HG2 A 12 VAL HGx% 1.0 1.776 3.548 83 83 A 84 ILE HD1% A 6 GLN HG2 1.0 1.814 3.750 84 84 A 23 ASN HBy A 23 ASN HBx 1.0 1.427 2.293 85 85 A 26 ALA HB% A 23 ASN HBy 1.0 1.795 3.641 86 86 A 19 THR HG2% A 23 ASN HBy 1.0 1.730 3.332 87 87 A 23 ASN HBy A 19 THR HB 1.0 1.958 4.874 88 88 A 23 ASN HBy A 23 ASN H 1.0 1.598 2.814 89 89 A 73 TYR HBx A 77 LEU HBx 1.0 1.870 4.092 90 90 A 73 TYR HBx A 77 LEU HBy 1.0 1.934 4.616 91 91 A 73 TYR HBx A 72 VAL HGy% 1.0 1.894 4.266 92 92 A 73 TYR HBx A 33 LEU HDx% 1.0 1.749 3.417 93 93 A 73 TYR HBx A 77 LEU H 1.0 1.708 3.232 94 94 A 30 ILE HG1y A 77 LEU HG 1.0 1.839 3.895 95 95 A 12 VAL HB A 12 VAL HGy% 1.0 1.577 2.743 96 96 A 30 ILE HG1y A 30 ILE HG1x 1.0 1.496 2.488 97 97 A 30 ILE HG1y A 31 GLN H 1.0 1.961 4.921 98 98 A 31 GLN HBy A 27 ALA HB% 1.0 1.892 4.254 99 99 A 31 GLN HBy A 31 GLN HGy 1.0 1.405 2.233 100 100 A 31 GLN H A 31 GLN HBy 1.0 1.417 2.265 101 101 A 49 ASN H A 49 ASN HBx 1.0 1.829 3.835 102 102 A 49 ASN HBx A 49 ASN HD22 1.0 1.760 3.468 103 103 A 49 ASN HBx A 49 ASN HD21 1.0 1.878 4.144 104 104 A 33 LEU HDx% A 73 TYR HBy 1.0 1.743 3.391 105 105 A 33 LEU HDx% A 32 GLN HBy 1.0 1.921 4.491 106 106 A 33 LEU HDx% A 33 LEU HG 1.0 1.426 2.290 107 107 A 77 LEU HBy A 33 LEU HDx% 1.0 1.655 3.023 108 108 A 77 LEU HDy% A 33 LEU HDx% 1.0 1.784 3.588 109 109 A 33 LEU HDx% A 75 ASN HD22 1.0 1.863 4.041 110 110 A 33 LEU HDx% A 77 LEU H 1.0 1.805 3.701 111 111 A 33 LEU HDx% A 33 LEU H 1.0 1.760 3.470 112 112 A 33 LEU HDx% A 75 ASN HD21 1.0 1.729 3.327 113 113 A 11 PRO HBy A 11 PRO HA 1.0 1.577 2.743 114 114 A 11 PRO HBx A 11 PRO HA 1.0 1.664 3.054 115 115 A 12 VAL HGx% A 11 PRO HA 1.0 1.834 3.860 116 116 A 11 PRO HA A 12 VAL H 1.0 1.509 2.529 117 117 A 61 SER HA A 61 SER HB2 1.0 1.498 2.494 118 118 A 38 VAL HB A 21 ALA HB% 1.0 1.909 4.389 119 119 A 38 VAL HB A 39 GLY H 1.0 1.952 4.810 120 120 A 72 VAL HGx% A 13 GLN HGx 1.0 1.895 4.275 121 121 A 13 GLN HGx A 13 GLN HBx 1.0 1.832 3.846 122 122 A 13 GLN HGx A 12 VAL HA 1.0 1.964 4.954 123 123 A 13 GLN HE22 A 13 GLN HGx 1.0 1.836 3.872 124 124 A 13 GLN HGx A 13 GLN HE21 1.0 1.853 3.981 125 125 A 46 ILE HD1% A 44 VAL HGy% 1.0 1.301 1.971 126 126 A 46 ILE HD1% A 19 THR HB 1.0 1.924 4.520 127 127 A 46 ILE HD1% A 25 GLN HGx 1.0 1.825 3.811 128 128 A 46 ILE HD1% A 25 GLN HBy 1.0 1.666 3.064 129 129 A 46 ILE HD1% A 46 ILE HB 1.0 1.696 3.188 130 130 A 46 ILE HD1% A 26 ALA H 1.0 1.811 3.733 131 131 A 6 GLN HBy A 6 GLN HBx 1.0 1.300 1.966 132 132 A 12 VAL HGx% A 6 GLN HBx 1.0 1.869 4.079 133 133 A 84 ILE HD1% A 6 GLN HBx 1.0 1.880 4.160 134 134 A 6 GLN HG2 A 6 GLN HBx 1.0 1.461 2.385 135 135 A 88 LEU HBy A 85 ASN HBx 1.0 1.927 4.547 136 136 A 14 CYS HBy A 14 CYS HBx 1.0 1.419 2.271 137 137 A 14 CYS HBy A 51 ILE HG1y 1.0 1.882 4.174 138 138 A 14 CYS HBy A 51 ILE HG1x 1.0 1.854 3.986 139 139 A 14 CYS HBy A 51 ILE HG2% 1.0 1.869 4.085 140 140 A 14 CYS HBy A 51 ILE HD1% 1.0 1.833 3.851 141 141 A 32 GLN HBy A 75 ASN HD21 1.0 1.897 4.287 142 142 A 48 CYS HA A 48 CYS HBx 1.0 1.733 3.345 143 143 A 48 CYS HBy A 48 CYS HA 1.0 1.764 3.486 144 144 A 48 CYS H A 48 CYS HA 1.0 1.833 3.851 145 145 A 16 ASN H A 48 CYS HA 1.0 1.824 3.804 146 146 A 49 ASN HD22 A 48 CYS HA 1.0 1.892 4.248 147 147 A 48 CYS HA A 15 CYS HA 1.0 1.563 2.699 148 148 A 27 ALA HB% A 31 GLN HGx 1.0 1.925 4.519 149 149 A 80 GLN HGy A 79 VAL HGy% 1.0 1.807 3.707 150 150 A 31 GLN HGx A 30 ILE HG2% 1.0 1.843 3.919 151 151 A 31 GLN HGx A 31 GLN HA 1.0 1.749 3.417 152 152 A 80 GLN HGy A 80 GLN HA 1.0 1.850 3.956 153 153 A 80 GLN HGy A 80 GLN H 1.0 1.939 4.667 154 154 A 80 GLN HGy A 80 GLN HE22 1.0 1.819 3.773 155 155 A 31 GLN HGx A 31 GLN HE22 1.0 1.890 4.238 156 156 A 31 GLN H A 31 GLN HGx 1.0 1.774 3.538 157 157 A 49 ASN HBy A 50 PRO HDx 1.0 1.883 4.181 158 158 A 49 ASN HBy A 50 PRO HDy 1.0 1.762 3.478 159 159 A 49 ASN HBx A 49 ASN HBy 1.0 1.252 1.856 160 160 A 49 ASN HD22 A 49 ASN HBy 1.0 1.760 3.466 161 161 A 49 ASN HD21 A 49 ASN HBy 1.0 1.877 4.139 162 162 A 49 ASN HBy A 49 ASN HA 1.0 1.723 3.299 163 163 A 12 VAL HB A 12 VAL HA 1.0 1.731 3.331 164 164 A 12 VAL HA A 13 GLN H 1.0 1.525 2.579 165 165 A 12 VAL H A 12 VAL HA 1.0 1.752 3.432 166 166 A 56 ALA HA A 56 ALA HB% 1.0 1.650 3.006 167 167 A 31 GLN H A 31 GLN HGy 1.0 1.776 3.544 168 168 A 46 ILE HD1% A 29 LEU HDx% 1.0 1.706 3.226 169 169 A 29 LEU HDx% A 29 LEU HBx 1.0 1.631 2.935 170 170 A 29 LEU HDx% A 29 LEU HBy 1.0 1.638 2.958 171 171 A 46 ILE HG1x A 29 LEU HDx% 1.0 1.859 4.019 172 172 A 29 LEU HDx% A 29 LEU HA 1.0 1.812 3.736 173 173 A 29 LEU HDx% A 29 LEU HG 1.0 1.397 2.209 174 174 A 29 LEU HDx% A 30 ILE H 1.0 1.933 4.607 175 175 A 30 ILE HB A 30 ILE HD1% 1.0 1.580 2.756 176 176 A 30 ILE HG1x A 30 ILE HB 1.0 1.788 3.604 177 177 A 30 ILE HB A 30 ILE HA 1.0 1.864 4.050 178 178 A 31 GLN HBy A 30 ILE HB 1.0 1.905 4.349 179 179 A 43 PRO HDy A 43 PRO HBx 1.0 1.857 4.007 180 180 A 43 PRO HDy A 43 PRO HG2 1.0 1.589 2.785 181 181 A 43 PRO HDy A 42 VAL HGy% 1.0 1.799 3.663 182 182 A 43 PRO HDy A 42 VAL HGx% 1.0 1.672 3.086 183 183 A 43 PRO HDy A 43 PRO HDx 1.0 1.404 2.228 184 184 A 25 GLN HGx A 25 GLN HGy 1.0 1.350 2.090 185 185 A 46 ILE HD1% A 25 GLN HGy 1.0 1.907 4.371 186 186 A 25 GLN HGy A 25 GLN H 1.0 1.896 4.278 187 187 A 25 GLN HGy A 25 GLN HE22 1.0 1.906 4.360 188 188 A 71 ASN HBy A 79 VAL HGx% 1.0 1.904 4.344 189 189 A 71 ASN HBy A 71 ASN HA 1.0 1.865 4.055 190 190 A 71 ASN HBy A 71 ASN HBx 1.0 1.354 2.098 191 191 A 71 ASN HBy A 71 ASN H 1.0 1.842 3.910 192 192 A 71 ASN HBy A 71 ASN HD22 1.0 1.814 3.744 193 193 A 71 ASN HBy A 71 ASN HD21 1.0 1.899 4.299 194 194 A 71 ASN HBy A 73 TYR HE1 1.0 1.801 3.675 195 194 A 71 ASN HBy A 73 TYR HE2 1.0 1.801 3.675 196 195 A 82 ASN HA A 82 ASN HBx 1.0 1.634 2.944 197 196 A 82 ASN HA A 82 ASN HBy 1.0 1.708 3.238 198 197 A 82 ASN HA A 43 PRO HBy 1.0 1.900 4.316 199 198 A 82 ASN HA A 83 PRO HGy 1.0 1.901 4.317 200 199 A 43 PRO HBx A 82 ASN HA 1.0 1.944 4.718 201 200 A 82 ASN HA A 67 ALA HB% 1.0 1.946 4.732 202 201 A 18 LEU HDx% A 82 ASN HA 1.0 1.881 4.163 203 202 A 82 ASN HA A 82 ASN H 1.0 1.794 3.640 204 203 A 38 VAL HGy% A 38 VAL HA 1.0 1.575 2.737 205 204 A 38 VAL HGy% A 38 VAL HB 1.0 1.498 2.496 206 205 A 38 VAL HGy% A 39 GLY H 1.0 1.902 4.326 207 206 A 38 VAL HGy% A 38 VAL H 1.0 1.575 2.737 208 207 A 50 PRO HGy A 50 PRO HBx 1.0 1.510 2.532 209 208 A 52 THR HG2% A 50 PRO HGy 1.0 1.902 4.332 210 209 A 50 PRO HGy A 50 PRO HA 1.0 1.948 4.754 211 210 A 13 GLN HE21 A 50 PRO HGy 1.0 1.932 4.588 212 211 A 49 ASN HA A 50 PRO HGy 1.0 1.906 4.356 213 212 A 6 GLN HBy A 12 VAL HGx% 1.0 1.877 4.133 214 213 A 6 GLN HBy A 6 GLN HG2 1.0 1.485 2.453 215 214 A 7 CYS HBx A 68 CYS HBx 1.0 1.744 3.396 216 215 A 7 CYS HBx A 7 CYS HBy 1.0 1.423 2.281 217 216 A 12 VAL HGx% A 7 CYS HBx 1.0 1.925 4.519 218 217 A 7 CYS HBx A 10 GLY H 1.0 1.951 4.789 219 218 A 7 CYS HBx A 68 CYS HA 1.0 1.959 4.897 220 219 A 7 CYS HBx A 7 CYS HA 1.0 1.850 3.954 221 220 A 46 ILE HG1y A 23 ASN HBx 1.0 1.932 4.592 222 221 A 46 ILE HD1% A 23 ASN HBx 1.0 1.957 4.867 223 222 A 23 ASN HBx A 23 ASN HA 1.0 1.847 3.937 224 223 A 23 ASN HBx A 23 ASN H 1.0 1.595 2.807 225 224 A 23 ASN HBx A 26 ALA H 1.0 1.813 3.741 226 225 A 72 VAL HGx% A 13 GLN HGy 1.0 1.807 3.709 227 226 A 67 ALA HB% A 13 GLN HGy 1.0 1.963 4.949 228 227 A 13 GLN HGy A 13 GLN HA 1.0 1.946 4.742 229 228 A 13 GLN HGx A 13 GLN HGy 1.0 1.533 2.601 230 229 A 48 CYS HBx A 13 GLN HGy 1.0 1.953 4.821 231 230 A 13 GLN HBx A 13 GLN HGy 1.0 1.834 3.864 232 231 A 13 GLN H A 13 GLN HGy 1.0 1.911 4.403 233 232 A 13 GLN HE22 A 13 GLN HGy 1.0 1.884 4.188 234 233 A 13 GLN HE21 A 13 GLN HGy 1.0 1.920 4.482 235 234 A 33 LEU HDx% A 33 LEU HDy% 1.0 1.460 2.384 236 235 A 33 LEU HDy% A 33 LEU HA 1.0 1.525 2.579 237 236 A 29 LEU HA A 33 LEU HDy% 1.0 1.857 4.005 238 237 A 73 TYR HBy A 33 LEU HDy% 1.0 1.742 3.386 239 238 A 73 TYR HBx A 33 LEU HDy% 1.0 1.836 3.874 240 239 A 33 LEU HDy% A 75 ASN HBx 1.0 1.954 4.832 241 240 A 33 LEU HDy% A 32 GLN HGy 1.0 1.928 4.548 242 241 A 32 GLN HBy A 33 LEU HDy% 1.0 1.886 4.198 243 242 A 33 LEU HG A 33 LEU HDy% 1.0 1.549 2.651 244 243 A 75 ASN HD22 A 33 LEU HDy% 1.0 1.882 4.176 245 244 A 77 LEU H A 33 LEU HDy% 1.0 1.804 3.688 246 245 A 33 LEU H A 33 LEU HDy% 1.0 1.837 3.885 247 246 A 75 ASN HD21 A 33 LEU HDy% 1.0 1.854 3.980 248 247 A 72 VAL HA A 72 VAL HGy% 1.0 1.842 3.910 249 248 A 78 GLY HAy A 72 VAL HGy% 1.0 1.914 4.432 250 249 A 48 CYS HBy A 72 VAL HGy% 1.0 1.736 3.356 251 250 A 13 GLN HBx A 72 VAL HGy% 1.0 1.952 4.808 252 251 A 72 VAL HGy% A 13 GLN HGy 1.0 1.929 4.563 253 252 A 72 VAL HGy% A 72 VAL HB 1.0 1.626 2.916 254 253 A 72 VAL HGy% A 73 TYR H 1.0 1.741 3.377 255 254 A 72 VAL HGy% A 77 LEU H 1.0 1.929 4.561 256 255 A 72 VAL HGy% A 78 GLY HAx 1.0 1.880 4.162 257 256 A 40 ALA HB% A 40 ALA HA 1.0 1.397 2.209 258 257 A 46 ILE HG1x A 26 ALA HA 1.0 1.773 3.535 259 258 A 44 VAL HGy% A 26 ALA HA 1.0 1.835 3.869 260 259 A 21 ALA H A 40 ALA HA 1.0 1.939 4.665 261 260 A 40 ALA H A 40 ALA HA 1.0 1.678 3.114 262 261 A 26 ALA HA A 29 LEU H 1.0 1.842 3.906 263 262 A 18 LEU HDy% A 81 CYS HA 1.0 1.912 4.408 264 263 A 80 GLN HA A 81 CYS HA 1.0 1.955 4.843 265 264 A 81 CYS HA A 81 CYS HBx 1.0 1.723 3.301 266 265 A 81 CYS HA A 81 CYS HBy 1.0 1.781 3.573 267 266 A 68 CYS HA A 69 CYS HA 1.0 1.906 4.360 268 267 A 82 ASN H A 81 CYS HA 1.0 1.556 2.676 269 268 A 81 CYS HA A 81 CYS H 1.0 1.817 3.763 270 269 A 56 ALA HB% A 55 GLY HAy 1.0 1.904 4.340 271 270 A 55 GLY HAy A 54 ILE HG2% 1.0 1.793 3.633 272 271 A 86 VAL HA A 84 ILE HG2% 1.0 1.852 3.974 273 272 A 86 VAL HA A 86 VAL HB 1.0 1.609 2.855 274 273 A 35 LEU HBy A 30 ILE HG1x 1.0 1.949 4.773 275 274 A 35 LEU HBx A 30 ILE HG1x 1.0 1.921 4.485 276 275 A 77 LEU HDy% A 30 ILE HG1x 1.0 1.825 3.809 277 276 A 30 ILE HG1x A 30 ILE HD1% 1.0 1.544 2.638 278 277 A 17 THR HA A 17 THR HB 1.0 1.785 3.589 279 278 A 46 ILE HB A 17 THR HA 1.0 1.898 4.294 280 279 A 17 THR HA A 17 THR HG2% 1.0 1.596 2.810 281 280 A 18 LEU H A 17 THR HA 1.0 1.488 2.466 282 281 A 17 THR HA A 17 THR H 1.0 1.751 3.425 283 282 A 17 THR HA A 65 ASN HD22 1.0 1.809 3.717 284 283 A 17 THR HA A 65 ASN HD21 1.0 1.765 3.493 285 284 A 12 VAL HGx% A 12 VAL HA 1.0 1.584 2.768 286 285 A 12 VAL HGx% A 12 VAL HB 1.0 1.513 2.539 287 286 A 12 VAL HGx% A 51 ILE HB 1.0 1.854 3.982 288 287 A 12 VAL HGx% A 4 SER HB2 1.0 1.766 3.494 289 288 A 79 VAL HGy% A 70 ASP HBx 1.0 1.863 4.041 290 289 A 79 VAL HGy% A 79 VAL HB 1.0 1.529 2.589 291 290 A 12 VAL HGx% A 12 VAL H 1.0 1.551 2.657 292 291 A 79 VAL HGy% A 80 GLN H 1.0 1.727 3.315 293 292 A 79 VAL HGy% A 73 TYR HE1 1.0 1.894 4.264 294 292 A 79 VAL HGy% A 73 TYR HE2 1.0 1.894 4.264 295 293 A 25 GLN HGy A 25 GLN HA 1.0 1.709 3.241 296 294 A 25 GLN HA A 25 GLN HBx 1.0 1.733 3.345 297 295 A 26 ALA H A 25 GLN HA 1.0 1.818 3.764 298 296 A 25 GLN HGx A 25 GLN HBy 1.0 1.456 2.372 299 297 A 19 THR HG2% A 25 GLN HGx 1.0 1.878 4.146 300 298 A 25 GLN HGx A 46 ILE HG2% 1.0 1.896 4.282 301 299 A 25 GLN HGx A 25 GLN HA 1.0 1.830 3.840 302 300 A 25 GLN HGx A 25 GLN H 1.0 1.938 4.652 303 301 A 82 ASN HBy A 82 ASN HD21 1.0 1.914 4.430 304 302 A 42 VAL HGy% A 39 GLY HAy 1.0 1.752 3.434 305 303 A 54 ILE HA A 60 SER HB2 1.0 1.865 4.057 306 304 A 54 ILE HA A 54 ILE HB 1.0 1.675 3.099 307 305 A 54 ILE HA A 54 ILE HG1x 1.0 1.882 4.178 308 306 A 54 ILE HA A 54 ILE HG1y 1.0 1.817 3.759 309 307 A 84 ILE HB A 66 PRO HBx 1.0 1.562 2.696 310 308 A 84 ILE HG1y A 66 PRO HBx 1.0 1.879 4.149 311 309 A 66 PRO HBx A 84 ILE HG1x 1.0 1.662 3.050 312 310 A 84 ILE H A 66 PRO HBx 1.0 1.963 4.949 313 311 A 32 GLN HBy A 33 LEU HG 1.0 1.810 3.722 314 312 A 32 GLN HBy A 29 LEU HDy% 1.0 1.837 3.881 315 313 A 32 GLN HBy A 32 GLN HGy 1.0 1.427 2.291 316 314 A 32 GLN HBy A 75 ASN HD22 1.0 1.797 3.653 317 315 A 32 GLN HBy A 33 LEU H 1.0 1.745 3.399 318 316 A 32 GLN HBy A 29 LEU HA 1.0 1.619 2.889 319 317 A 29 LEU HA A 29 LEU HG 1.0 1.758 3.460 320 318 A 33 LEU HG A 29 LEU HA 1.0 1.956 4.856 321 319 A 29 LEU HBy A 29 LEU HA 1.0 1.654 3.016 322 320 A 29 LEU HA A 29 LEU HDy% 1.0 1.540 2.624 323 321 A 29 LEU HA A 30 ILE H 1.0 1.899 4.303 324 322 A 29 LEU HA A 32 GLN H 1.0 1.773 3.531 325 323 A 75 ASN HD22 A 29 LEU HA 1.0 1.876 4.130 326 324 A 29 LEU HA A 29 LEU H 1.0 1.750 3.418 327 325 A 75 ASN HD21 A 29 LEU HA 1.0 1.883 4.183 328 326 A 23 ASN HA A 24 SER HA 1.0 1.911 4.401 329 327 A 23 ASN HBy A 23 ASN HA 1.0 1.613 2.869 330 328 A 23 ASN HA A 23 ASN HD22 1.0 1.704 3.220 331 329 A 42 VAL HGy% A 42 VAL HGx% 1.0 1.284 1.930 332 330 A 42 VAL HGy% A 38 VAL HGx% 1.0 1.536 2.612 333 331 A 42 VAL HGy% A 38 VAL HA 1.0 1.600 2.822 334 332 A 42 VAL HGy% A 42 VAL HB 1.0 1.504 2.510 335 333 A 21 ALA HB% A 42 VAL HGy% 1.0 1.734 3.346 336 334 A 21 ALA H A 42 VAL HGy% 1.0 1.933 4.603 337 335 A 39 GLY H A 42 VAL HGy% 1.0 1.555 2.671 338 336 A 40 ALA H A 42 VAL HGy% 1.0 1.946 4.740 339 337 A 42 VAL HGy% A 42 VAL H 1.0 1.566 2.706 340 338 A 42 VAL HGy% A 80 GLN HE21 1.0 1.935 4.621 341 339 A 72 VAL HA A 72 VAL HB 1.0 1.958 4.894 342 340 A 72 VAL HB A 72 VAL H 1.0 1.817 3.765 343 341 A 64 ALA HA A 64 ALA HB% 1.0 1.546 2.644 344 342 A 21 ALA HB% A 38 VAL HGx% 1.0 1.398 2.212 345 343 A 64 ALA HB% A 63 ASN HBy 1.0 1.789 3.613 346 344 A 21 ALA HB% A 42 VAL HB 1.0 1.599 2.817 347 345 A 64 ALA HB% A 65 ASN H 1.0 1.458 2.378 348 346 A 64 ALA HB% A 64 ALA H 1.0 1.655 3.025 349 347 A 65 ASN HD21 A 64 ALA HB% 1.0 1.813 3.739 350 348 A 21 ALA H A 21 ALA HB% 1.0 1.517 2.553 351 349 A 64 ALA HB% A 63 ASN HD21 1.0 1.729 3.325 352 350 A 64 ALA HB% A 65 ASN HA 1.0 1.959 4.899 353 351 A 49 ASN HBx A 50 PRO HDy 1.0 1.713 3.259 354 352 A 50 PRO HDy A 50 PRO HGy 1.0 1.593 2.795 355 353 A 50 PRO HDx A 50 PRO HDy 1.0 1.404 2.230 356 354 A 46 ILE HB A 17 THR HB 1.0 1.522 2.566 357 355 A 46 ILE HG1x A 17 THR HB 1.0 1.803 3.689 358 356 A 19 THR HG2% A 17 THR HB 1.0 1.822 3.788 359 357 A 17 THR HB A 46 ILE HG2% 1.0 1.746 3.406 360 358 A 46 ILE HD1% A 17 THR HB 1.0 1.783 3.583 361 359 A 46 ILE H A 17 THR HB 1.0 1.809 3.719 362 360 A 17 THR HB A 17 THR H 1.0 1.686 3.146 363 361 A 42 VAL HGx% A 38 VAL HGx% 1.0 1.307 1.983 364 362 A 42 VAL HGx% A 43 PRO HA 1.0 1.941 4.685 365 363 A 79 VAL HA A 42 VAL HGx% 1.0 1.892 4.250 366 364 A 42 VAL HGx% A 38 VAL HA 1.0 1.544 2.636 367 365 A 42 VAL HGx% A 80 GLN HBy 1.0 1.915 4.433 368 366 A 80 GLN HGy A 42 VAL HGx% 1.0 1.824 3.800 369 367 A 42 VAL HGx% A 80 GLN HGx 1.0 1.874 4.114 370 368 A 42 VAL HGx% A 42 VAL HB 1.0 1.492 2.476 371 369 A 21 ALA HB% A 42 VAL HGx% 1.0 1.784 3.582 372 370 A 80 GLN H A 42 VAL HGx% 1.0 1.686 3.146 373 371 A 80 GLN HE22 A 42 VAL HGx% 1.0 1.954 4.830 374 372 A 42 VAL HGx% A 80 GLN HE21 1.0 1.943 4.709 375 373 A 42 VAL HGx% A 81 CYS H 1.0 1.942 4.694 376 374 A 26 ALA HB% A 25 GLN HBy 1.0 1.856 3.998 377 375 A 46 ILE HG1x A 25 GLN HBy 1.0 1.912 4.412 378 376 A 46 ILE HG1y A 25 GLN HBy 1.0 1.833 3.851 379 377 A 25 GLN HBy A 25 GLN HGy 1.0 1.587 2.779 380 378 A 25 GLN HBy A 25 GLN HBx 1.0 1.355 2.101 381 379 A 25 GLN HBy A 26 ALA H 1.0 1.694 3.176 382 380 A 79 VAL HGy% A 71 ASN HBx 1.0 1.928 4.546 383 381 A 79 VAL HGx% A 71 ASN HBx 1.0 1.867 4.071 384 382 A 71 ASN HA A 71 ASN HBx 1.0 1.901 4.321 385 383 A 79 VAL H A 71 ASN HBx 1.0 1.936 4.636 386 384 A 71 ASN HBx A 72 VAL H 1.0 1.913 4.423 387 385 A 71 ASN HBx A 71 ASN H 1.0 1.775 3.545 388 386 A 71 ASN HBx A 71 ASN HD22 1.0 1.810 3.722 389 387 A 71 ASN HBx A 71 ASN HD21 1.0 1.937 4.643 390 388 A 71 ASN HBx A 73 TYR HE1 1.0 1.795 3.645 391 388 A 71 ASN HBx A 73 TYR HE2 1.0 1.795 3.645 392 389 A 82 ASN HBx A 82 ASN HBy 1.0 1.273 1.903 393 390 A 82 ASN HBx A 82 ASN H 1.0 1.815 3.749 394 391 A 82 ASN HBx A 82 ASN HD21 1.0 1.902 4.324 395 392 A 82 ASN HBx A 82 ASN HD22 1.0 1.784 3.588 396 393 A 77 LEU HBx A 77 LEU HG 1.0 1.743 3.387 397 394 A 77 LEU HBx A 77 LEU HBy 1.0 1.554 2.668 398 395 A 29 LEU HDx% A 77 LEU HBx 1.0 1.774 3.534 399 396 A 77 LEU HBx A 33 LEU HDx% 1.0 1.825 3.807 400 397 A 55 GLY HAy A 55 GLY HAx 1.0 1.234 1.814 401 398 A 80 GLN HBx A 70 ASP HBy 1.0 1.708 3.232 402 399 A 80 GLN HGy A 80 GLN HBx 1.0 1.626 2.916 403 400 A 80 GLN H A 80 GLN HBx 1.0 1.899 4.299 404 401 A 32 GLN HA A 32 GLN HGx 1.0 1.744 3.394 405 402 A 32 GLN HA A 34 GLY H 1.0 1.867 4.071 406 403 A 32 GLN H A 32 GLN HA 1.0 1.614 2.874 407 404 A 33 LEU H A 32 GLN HA 1.0 1.814 3.746 408 405 A 52 THR HA A 52 THR HB 1.0 1.588 2.780 409 406 A 52 THR HA A 3 GLY HAy 1.0 1.873 4.115 410 407 A 51 ILE HB A 52 THR HA 1.0 1.913 4.417 411 408 A 52 THR HG2% A 52 THR HA 1.0 1.580 2.754 412 409 A 84 ILE HD1% A 68 CYS HBy 1.0 1.847 3.935 413 410 A 7 CYS HBx A 68 CYS HBy 1.0 1.819 3.773 414 411 A 68 CYS HBy A 69 CYS H 1.0 1.924 4.520 415 412 A 68 CYS HBy A 68 CYS H 1.0 1.762 3.480 416 413 A 79 VAL HGx% A 70 ASP HBx 1.0 1.921 4.491 417 414 A 79 VAL HGx% A 79 VAL HB 1.0 1.531 2.595 418 415 A 79 VAL HGx% A 71 ASN H 1.0 1.959 4.905 419 416 A 79 VAL HGx% A 71 ASN HD22 1.0 1.772 3.526 420 417 A 44 VAL HGy% A 30 ILE HD1% 1.0 1.797 3.655 421 418 A 30 ILE HD1% A 30 ILE HA 1.0 1.838 3.888 422 419 A 30 ILE HG1y A 30 ILE HD1% 1.0 1.502 2.506 423 420 A 26 ALA HB% A 30 ILE HD1% 1.0 1.539 2.621 424 421 A 31 GLN H A 30 ILE HD1% 1.0 1.941 4.691 425 422 A 69 CYS HBx A 13 GLN HGy 1.0 1.903 4.335 426 423 A 69 CYS HBx A 79 VAL H 1.0 1.911 4.399 427 424 A 29 LEU HBx A 30 ILE HA 1.0 1.915 4.439 428 425 A 30 ILE HG1y A 30 ILE HA 1.0 1.660 3.042 429 426 A 33 LEU HG A 30 ILE HA 1.0 1.798 3.660 430 427 A 35 LEU HBy A 30 ILE HA 1.0 1.903 4.337 431 428 A 35 LEU HBx A 30 ILE HA 1.0 1.834 3.860 432 429 A 77 LEU HDy% A 30 ILE HA 1.0 1.878 4.150 433 430 A 30 ILE HG2% A 30 ILE HA 1.0 1.624 2.906 434 431 A 30 ILE HG1x A 30 ILE HA 1.0 1.662 3.052 435 432 A 30 ILE HA A 77 LEU HDx% 1.0 1.692 3.172 436 433 A 35 LEU HDx% A 30 ILE HA 1.0 1.676 3.104 437 434 A 30 ILE H A 30 ILE HA 1.0 1.756 3.446 438 435 A 31 GLN H A 30 ILE HA 1.0 1.869 4.083 439 436 A 35 LEU H A 30 ILE HA 1.0 1.938 4.650 440 437 A 35 LEU HBx A 38 VAL HGy% 1.0 1.796 3.652 441 438 A 35 LEU HBx A 35 LEU HDx% 1.0 1.676 3.102 442 439 A 80 GLN HGy A 80 GLN HBy 1.0 1.577 2.745 443 440 A 80 GLN HBy A 80 GLN HGx 1.0 1.628 2.920 444 441 A 80 GLN HBy A 80 GLN HBx 1.0 1.420 2.274 445 442 A 79 VAL HGy% A 80 GLN HBy 1.0 1.848 3.948 446 443 A 80 GLN HBy A 70 ASP HA 1.0 1.960 4.920 447 444 A 80 GLN HBy A 70 ASP H 1.0 1.790 3.620 448 445 A 80 GLN H A 80 GLN HBy 1.0 1.930 4.580 449 446 A 54 ILE HB A 54 ILE HG1x 1.0 1.780 3.564 450 447 A 14 CYS HBy A 14 CYS HA 1.0 1.765 3.489 451 448 A 14 CYS HBx A 14 CYS HA 1.0 1.670 3.082 452 449 A 14 CYS HA A 15 CYS H 1.0 1.565 2.703 453 450 A 6 GLN HA A 5 SER HBy 1.0 1.933 4.605 454 451 A 7 CYS HBy A 6 GLN HA 1.0 1.952 4.806 455 452 A 6 GLN HBx A 6 GLN HA 1.0 1.607 2.847 456 453 A 6 GLN HBy A 6 GLN HA 1.0 1.644 2.982 457 454 A 12 VAL HGx% A 6 GLN HA 1.0 1.865 4.057 458 455 A 70 ASP HBx A 70 ASP HBy 1.0 1.372 2.144 459 456 A 80 GLN HGy A 70 ASP HBy 1.0 1.801 3.675 460 457 A 80 GLN HGx A 70 ASP HBy 1.0 1.900 4.312 461 458 A 21 ALA HB% A 39 GLY HAx 1.0 1.893 4.255 462 459 A 14 CYS HBx A 51 ILE HG1y 1.0 1.819 3.773 463 460 A 14 CYS HBx A 51 ILE HG1x 1.0 1.764 3.488 464 461 A 14 CYS HBx A 51 ILE HG2% 1.0 1.810 3.726 465 462 A 14 CYS HBx A 15 CYS H 1.0 1.954 4.828 466 463 A 27 ALA HB% A 30 ILE HD1% 1.0 1.802 3.680 467 464 A 27 ALA HB% A 27 ALA HA 1.0 1.459 2.381 468 465 A 27 ALA HB% A 30 ILE HB 1.0 1.868 4.076 469 466 A 27 ALA HB% A 27 ALA H 1.0 1.444 2.340 470 467 A 31 GLN H A 27 ALA HB% 1.0 1.963 4.947 471 468 A 27 ALA HB% A 28 GLY H 1.0 1.692 3.166 472 469 A 27 ALA HB% A 31 GLN HE21 1.0 1.941 4.695 473 470 A 27 ALA HB% A 30 ILE H 1.0 1.954 4.844 474 471 A 41 ASN HBy A 41 ASN HBx 1.0 1.335 2.053 475 472 A 40 ALA HB% A 41 ASN HBy 1.0 1.942 4.694 476 473 A 41 ASN HBy A 41 ASN HA 1.0 1.822 3.788 477 474 A 33 LEU HDy% A 33 LEU HBx 1.0 1.758 3.458 478 475 A 33 LEU HDx% A 33 LEU HBx 1.0 1.690 3.160 479 476 A 33 LEU HBx A 33 LEU HBy 1.0 1.489 2.469 480 477 A 35 LEU H A 33 LEU HBx 1.0 1.937 4.639 481 478 A 85 ASN HA A 86 VAL HGy% 1.0 1.904 4.340 482 479 A 86 VAL HA A 86 VAL HGy% 1.0 1.809 3.721 483 480 A 86 VAL HB A 86 VAL HGy% 1.0 1.727 3.317 484 481 A 86 VAL HGy% A 66 PRO HGy 1.0 1.903 4.337 485 482 A 30 ILE HG2% A 27 ALA HA 1.0 1.813 3.741 486 483 A 30 ILE HG2% A 34 GLY HAy 1.0 1.911 4.403 487 484 A 30 ILE HG2% A 31 GLN HA 1.0 1.699 3.195 488 485 A 30 ILE HG2% A 30 ILE HB 1.0 1.496 2.488 489 486 A 35 LEU HBy A 30 ILE HG2% 1.0 1.580 2.754 490 487 A 35 LEU HBx A 30 ILE HG2% 1.0 1.638 2.960 491 488 A 30 ILE HG2% A 30 ILE H 1.0 1.840 3.894 492 489 A 35 LEU H A 30 ILE HG2% 1.0 1.807 3.707 493 490 A 46 ILE HA A 46 ILE HG2% 1.0 1.625 2.911 494 491 A 47 ASN HBx A 46 ILE HG2% 1.0 1.713 3.259 495 492 A 25 GLN HGy A 46 ILE HG2% 1.0 1.958 4.880 496 493 A 25 GLN HBy A 46 ILE HG2% 1.0 1.811 3.727 497 494 A 46 ILE HB A 46 ILE HG2% 1.0 1.539 2.621 498 495 A 47 ASN H A 46 ILE HG2% 1.0 1.651 3.005 499 496 A 25 GLN HE22 A 46 ILE HG2% 1.0 1.913 4.415 500 497 A 46 ILE HG2% A 25 GLN HE21 1.0 1.950 4.786 501 498 A 19 THR HG2% A 25 GLN HBy 1.0 1.757 3.453 502 499 A 80 GLN HE22 A 43 PRO HG2 1.0 1.956 4.852 503 500 A 43 PRO HG2 A 81 CYS H 1.0 1.745 3.399 504 501 A 43 PRO HG2 A 80 GLN HE21 1.0 1.893 4.255 505 502 A 43 PRO HG2 A 43 PRO HA 1.0 1.939 4.663 506 503 A 54 ILE HG2% A 55 GLY HAx 1.0 1.798 3.662 507 504 A 75 ASN HBx A 29 LEU HDy% 1.0 1.851 3.963 508 505 A 75 ASN HBx A 75 ASN HA 1.0 1.862 4.038 509 506 A 75 ASN HBx A 75 ASN HBy 1.0 1.459 2.381 510 507 A 75 ASN HD22 A 75 ASN HBx 1.0 1.732 3.338 511 508 A 75 ASN HD21 A 75 ASN HBx 1.0 1.855 3.995 512 509 A 26 ALA HB% A 44 VAL HGx% 1.0 1.559 2.685 513 510 A 44 VAL HGx% A 43 PRO HBy 1.0 1.922 4.502 514 511 A 44 VAL HGx% A 80 GLN H 1.0 1.729 3.325 515 512 A 44 VAL HGx% A 45 GLY H 1.0 1.815 3.753 516 513 A 44 VAL HGx% A 21 ALA H 1.0 1.795 3.643 517 514 A 29 LEU HDx% A 77 LEU HBy 1.0 1.738 3.368 518 515 A 45 GLY HAx A 45 GLY HAy 1.0 1.448 2.350 519 516 A 45 GLY HAx A 15 CYS HBx 1.0 1.861 4.031 520 517 A 45 GLY HAx A 18 LEU HBx 1.0 1.951 4.797 521 518 A 18 LEU HDy% A 45 GLY HAx 1.0 1.687 3.149 522 519 A 45 GLY H A 45 GLY HAx 1.0 1.787 3.601 523 520 A 19 THR H A 45 GLY HAx 1.0 1.933 4.599 524 521 A 46 ILE H A 45 GLY HAx 1.0 1.637 2.955 525 522 A 18 LEU HBy A 65 ASN HBy 1.0 1.947 4.749 526 523 A 18 LEU HG A 65 ASN HBy 1.0 1.750 3.422 527 524 A 18 LEU HDy% A 65 ASN HBy 1.0 1.837 3.877 528 525 A 65 ASN HBy A 66 PRO HDy 1.0 1.911 4.401 529 526 A 65 ASN HBy A 66 PRO HDx 1.0 1.931 4.589 530 527 A 65 ASN HBy A 65 ASN HBx 1.0 1.383 2.175 531 528 A 15 CYS HBy A 65 ASN HBy 1.0 1.863 4.039 532 529 A 65 ASN HD21 A 65 ASN HBy 1.0 1.807 3.705 533 530 A 46 ILE HG1y A 46 ILE HA 1.0 1.872 4.100 534 531 A 46 ILE HG1y A 17 THR HB 1.0 1.907 4.367 535 532 A 46 ILE HG1y A 46 ILE HB 1.0 1.797 3.657 536 533 A 46 ILE H A 46 ILE HG1y 1.0 1.879 4.155 537 534 A 73 TYR HBx A 73 TYR HBy 1.0 1.526 2.578 538 535 A 77 LEU HBx A 73 TYR HBy 1.0 1.921 4.491 539 536 A 73 TYR HBy A 75 ASN H 1.0 1.927 4.547 540 537 A 84 ILE HB A 66 PRO HA 1.0 1.922 4.494 541 538 A 66 PRO HDy A 66 PRO HA 1.0 1.907 4.369 542 539 A 66 PRO HA A 66 PRO HGx 1.0 1.866 4.068 543 540 A 84 ILE HG1y A 66 PRO HA 1.0 1.960 4.920 544 541 A 51 ILE HD1% A 66 PRO HA 1.0 1.801 3.675 545 542 A 66 PRO HA A 67 ALA H 1.0 1.503 2.511 546 543 A 15 CYS H A 66 PRO HA 1.0 1.856 4.000 547 544 A 8 ASN HBx A 8 ASN HA 1.0 1.657 3.027 548 545 A 72 VAL HGx% A 72 VAL HA 1.0 1.824 3.800 549 546 A 72 VAL HGx% A 48 CYS HBx 1.0 1.847 3.941 550 547 A 69 CYS HBy A 72 VAL HGx% 1.0 1.718 3.276 551 548 A 69 CYS HBx A 72 VAL HGx% 1.0 1.613 2.871 552 549 A 72 VAL HGx% A 13 GLN HBx 1.0 1.921 4.487 553 550 A 72 VAL HGx% A 72 VAL HB 1.0 1.585 2.769 554 551 A 72 VAL HGx% A 72 VAL H 1.0 1.815 3.753 555 552 A 72 VAL HGx% A 13 GLN HE22 1.0 1.857 3.999 556 553 A 72 VAL HGx% A 13 GLN HE21 1.0 1.845 3.929 557 554 A 72 VAL HGx% A 69 CYS H 1.0 1.965 4.967 558 555 A 72 VAL HGx% A 79 VAL H 1.0 1.884 4.192 559 556 A 72 VAL HGx% A 73 TYR H 1.0 1.916 4.440 560 557 A 74 THR HB A 74 THR HG2% 1.0 1.602 2.828 561 558 A 46 ILE HG1y A 46 ILE HG1x 1.0 1.445 2.341 562 559 A 46 ILE HG1x A 44 VAL HGy% 1.0 1.879 4.155 563 560 A 46 ILE HG1x A 46 ILE HB 1.0 1.749 3.417 564 561 A 46 ILE H A 46 ILE HG1x 1.0 1.854 3.984 565 562 A 38 VAL HB A 38 VAL HA 1.0 1.722 3.292 566 563 A 39 GLY H A 38 VAL HA 1.0 1.489 2.467 567 564 A 46 ILE HB A 15 CYS HBx 1.0 1.909 4.381 568 565 A 18 LEU HG A 15 CYS HBy 1.0 1.856 4.002 569 566 A 18 LEU HDx% A 15 CYS HBy 1.0 1.869 4.087 570 567 A 18 LEU HDy% A 15 CYS HBy 1.0 1.668 3.070 571 568 A 46 ILE H A 15 CYS HBx 1.0 1.789 3.611 572 569 A 16 ASN H A 15 CYS HBx 1.0 1.781 3.571 573 570 A 15 CYS HBy A 65 ASN H 1.0 1.930 4.568 574 571 A 17 THR H A 15 CYS HBx 1.0 1.789 3.615 575 572 A 48 CYS HA A 15 CYS HBx 1.0 1.895 4.269 576 573 A 10 GLY HAx A 10 GLY HAy 1.0 1.384 2.176 577 574 A 70 ASP HBy A 70 ASP HA 1.0 1.667 3.069 578 575 A 70 ASP HA A 9 ALA HB% 1.0 1.647 2.993 579 576 A 71 ASN H A 70 ASP HA 1.0 1.874 4.118 580 577 A 70 ASP HA A 70 ASP H 1.0 1.711 3.247 581 578 A 77 LEU HBx A 29 LEU HBx 1.0 1.892 4.250 582 579 A 29 LEU HBx A 29 LEU HG 1.0 1.763 3.485 583 580 A 33 LEU HG A 29 LEU HBx 1.0 1.951 4.797 584 581 A 29 LEU HBx A 29 LEU HBy 1.0 1.529 2.589 585 582 A 29 LEU HBx A 29 LEU HA 1.0 1.797 3.657 586 583 A 29 LEU HBx A 32 GLN H 1.0 1.957 4.873 587 584 A 69 CYS HBy A 69 CYS HA 1.0 1.663 3.051 588 585 A 69 CYS HBx A 69 CYS HA 1.0 1.763 3.483 589 586 A 69 CYS HA A 70 ASP HA 1.0 1.947 4.745 590 587 A 69 CYS HA A 69 CYS H 1.0 1.843 3.917 591 588 A 69 CYS HA A 70 ASP H 1.0 1.552 2.664 592 589 A 46 ILE HB A 16 ASN HBy 1.0 1.941 4.683 593 590 A 46 ILE HG2% A 16 ASN HBy 1.0 1.895 4.267 594 591 A 16 ASN H A 16 ASN HBy 1.0 1.687 3.147 595 592 A 16 ASN HBy A 16 ASN HD21 1.0 1.906 4.362 596 593 A 17 THR H A 16 ASN HBy 1.0 1.783 3.581 597 594 A 33 LEU HG A 33 LEU HBx 1.0 1.804 3.694 598 595 A 33 LEU HG A 75 ASN HD21 1.0 1.819 3.771 599 596 A 13 GLN HBx A 13 GLN HA 1.0 1.709 3.239 600 597 A 13 GLN HBy A 13 GLN HA 1.0 1.763 3.479 601 598 A 51 ILE HG1y A 13 GLN HA 1.0 1.867 4.067 602 599 A 51 ILE H A 13 GLN HA 1.0 1.784 3.588 603 600 A 5 SER HBy A 5 SER HA 1.0 1.502 2.506 604 601 A 12 VAL HGx% A 4 SER HA 1.0 1.892 4.244 605 602 A 83 PRO HBx A 18 LEU HDx% 1.0 1.836 3.872 606 603 A 83 PRO HGx A 83 PRO HBx 1.0 1.542 2.632 607 604 A 29 LEU HG A 29 LEU HDy% 1.0 1.519 2.557 608 605 A 22 SER HBx A 22 SER HA 1.0 1.587 2.779 609 606 A 40 ALA HB% A 22 SER HA 1.0 1.741 3.381 610 607 A 22 SER HA A 22 SER H 1.0 1.696 3.184 611 608 A 23 ASN H A 22 SER HA 1.0 1.828 3.830 612 609 A 18 LEU HG A 18 LEU HBy 1.0 1.656 3.024 613 610 A 18 LEU HG A 18 LEU HBx 1.0 1.648 2.998 614 611 A 36 SER HA A 36 SER HB2 1.0 1.553 2.667 615 612 A 38 VAL H A 36 SER HA 1.0 1.858 4.006 616 613 A 47 ASN HBy A 16 ASN HBx 1.0 1.689 3.157 617 614 A 47 ASN HBy A 16 ASN HBy 1.0 1.709 3.241 618 615 A 47 ASN HBy A 47 ASN HBx 1.0 1.357 2.107 619 616 A 47 ASN HBy A 29 LEU HDx% 1.0 1.942 4.696 620 617 A 47 ASN HBy A 46 ILE HG2% 1.0 1.827 3.821 621 618 A 47 ASN HBy A 47 ASN H 1.0 1.878 4.144 622 619 A 47 ASN HBy A 16 ASN H 1.0 1.819 3.779 623 620 A 47 ASN HBy A 17 THR H 1.0 1.963 4.941 624 621 A 29 LEU HDy% A 75 ASN HBy 1.0 1.812 3.734 625 622 A 75 ASN HA A 75 ASN HBy 1.0 1.873 4.115 626 623 A 75 ASN HD22 A 75 ASN HBy 1.0 1.726 3.310 627 624 A 75 ASN HD21 A 75 ASN HBy 1.0 1.853 3.979 628 625 A 48 CYS HBy A 48 CYS HBx 1.0 1.437 2.319 629 626 A 13 GLN HBx A 48 CYS HBx 1.0 1.823 3.797 630 627 A 13 GLN HBy A 48 CYS HBx 1.0 1.901 4.315 631 628 A 72 VAL HGy% A 48 CYS HBx 1.0 1.803 3.687 632 629 A 48 CYS H A 48 CYS HBx 1.0 1.765 3.495 633 630 A 15 CYS HA A 16 ASN HBx 1.0 1.897 4.289 634 631 A 48 CYS HBx A 15 CYS HA 1.0 1.869 4.083 635 632 A 15 CYS HA A 15 CYS HBx 1.0 1.633 2.941 636 633 A 15 CYS HA A 64 ALA HB% 1.0 1.917 4.453 637 634 A 15 CYS HA A 14 CYS HA 1.0 1.902 4.332 638 635 A 16 ASN H A 15 CYS HA 1.0 1.564 2.700 639 636 A 49 ASN H A 15 CYS HA 1.0 1.806 3.702 640 637 A 11 PRO HBx A 50 PRO HBy 1.0 1.697 3.187 641 638 A 50 PRO HDx A 50 PRO HBy 1.0 1.860 4.024 642 639 A 50 PRO HDy A 50 PRO HBy 1.0 1.880 4.164 643 640 A 13 GLN HE21 A 50 PRO HBy 1.0 1.920 4.484 644 641 A 47 ASN HA A 76 GLY HAx 1.0 1.894 4.264 645 642 A 35 LEU HBy A 35 LEU HA 1.0 1.756 3.448 646 643 A 35 LEU HBx A 35 LEU HA 1.0 1.617 2.883 647 644 A 35 LEU H A 35 LEU HA 1.0 1.760 3.470 648 645 A 21 ALA HB% A 39 GLY H 1.0 1.871 4.101 649 646 A 30 ILE HG1x A 35 LEU HG 1.0 1.949 4.777 650 647 A 30 ILE HG2% A 35 LEU HG 1.0 1.908 4.382 651 648 A 35 LEU HA A 35 LEU HG 1.0 1.921 4.489 652 649 A 35 LEU HBy A 35 LEU HG 1.0 1.667 3.069 653 650 A 35 LEU H A 35 LEU HG 1.0 1.741 3.381 654 651 A 29 LEU HBx A 77 LEU HDx% 1.0 1.864 4.054 655 652 A 77 LEU HBx A 77 LEU HDx% 1.0 1.719 3.281 656 653 A 30 ILE HG1y A 77 LEU HDx% 1.0 1.714 3.264 657 654 A 77 LEU HBy A 77 LEU HDx% 1.0 1.711 3.249 658 655 A 30 ILE HD1% A 77 LEU HDx% 1.0 1.709 3.239 659 656 A 30 ILE H A 77 LEU HDx% 1.0 1.913 4.419 660 657 A 77 LEU H A 77 LEU HDx% 1.0 1.847 3.941 661 658 A 16 ASN HBy A 16 ASN HBx 1.0 1.230 1.806 662 659 A 46 ILE HB A 16 ASN HBx 1.0 1.963 4.951 663 660 A 64 ALA HB% A 16 ASN HBx 1.0 1.916 4.446 664 661 A 46 ILE HG2% A 16 ASN HBx 1.0 1.925 4.531 665 662 A 17 THR H A 16 ASN HBx 1.0 1.797 3.655 666 663 A 79 VAL HA A 80 GLN HBy 1.0 1.944 4.718 667 664 A 79 VAL HA A 44 VAL HB 1.0 1.875 4.125 668 665 A 79 VAL HA A 79 VAL HB 1.0 1.754 3.442 669 666 A 79 VAL HA A 79 VAL HGy% 1.0 1.626 2.918 670 667 A 79 VAL HA A 44 VAL HGx% 1.0 1.511 2.533 671 668 A 44 VAL HA A 79 VAL HA 1.0 1.863 4.043 672 669 A 79 VAL HA A 79 VAL H 1.0 1.810 3.722 673 670 A 79 VAL HA A 80 GLN H 1.0 1.538 2.618 674 671 A 27 ALA HB% A 24 SER HA 1.0 1.644 2.982 675 672 A 24 SER HA A 28 GLY H 1.0 1.934 4.610 676 673 A 24 SER HA A 27 ALA H 1.0 1.844 3.924 677 674 A 72 VAL HGy% A 76 GLY HAx 1.0 1.855 3.987 678 675 A 19 THR HG2% A 17 THR HG2% 1.0 1.262 1.878 679 676 A 46 ILE HD1% A 17 THR HG2% 1.0 1.672 3.086 680 677 A 46 ILE HG1y A 17 THR HG2% 1.0 1.653 3.015 681 678 A 17 THR HB A 17 THR HG2% 1.0 1.620 2.894 682 679 A 17 THR HG2% A 16 ASN HBy 1.0 1.963 4.943 683 680 A 46 ILE HB A 17 THR HG2% 1.0 1.749 3.417 684 681 A 19 THR H A 17 THR HG2% 1.0 1.916 4.450 685 682 A 18 LEU H A 17 THR HG2% 1.0 1.633 2.941 686 683 A 17 THR HG2% A 17 THR H 1.0 1.892 4.246 687 684 A 18 LEU HA A 17 THR HG2% 1.0 1.939 4.663 688 685 A 66 PRO HGx A 62 CYS HBy 1.0 1.926 4.536 689 686 A 66 PRO HGy A 62 CYS HBy 1.0 1.816 3.760 690 687 A 51 ILE HG1y A 62 CYS HBx 1.0 1.912 4.408 691 688 A 51 ILE HG1x A 62 CYS HBx 1.0 1.854 3.982 692 689 A 50 PRO HA A 50 PRO HBy 1.0 1.620 2.892 693 690 A 50 PRO HBx A 50 PRO HA 1.0 1.689 3.157 694 691 A 50 PRO HDy A 50 PRO HA 1.0 1.917 4.457 695 692 A 51 ILE HG1y A 50 PRO HA 1.0 1.901 4.321 696 693 A 51 ILE HG1x A 50 PRO HA 1.0 1.904 4.340 697 694 A 66 PRO HGy A 66 PRO HGx 1.0 1.443 2.335 698 695 A 84 ILE HB A 66 PRO HGx 1.0 1.822 3.792 699 696 A 84 ILE HG1y A 66 PRO HGx 1.0 1.948 4.762 700 697 A 86 VAL HGy% A 66 PRO HGx 1.0 1.837 3.881 701 698 A 84 ILE HG2% A 66 PRO HGx 1.0 1.887 4.213 702 699 A 65 ASN HA A 66 PRO HGx 1.0 1.942 4.698 703 700 A 65 ASN HA A 66 PRO HDy 1.0 1.538 2.616 704 701 A 65 ASN HA A 66 PRO HDx 1.0 1.527 2.583 705 702 A 65 ASN HA A 65 ASN HBx 1.0 1.722 3.294 706 703 A 65 ASN HA A 65 ASN HBy 1.0 1.596 2.808 707 704 A 18 LEU HDx% A 65 ASN HA 1.0 1.896 4.284 708 705 A 65 ASN H A 65 ASN HA 1.0 1.773 3.529 709 706 A 85 ASN HA A 84 ILE HG2% 1.0 1.955 4.853 710 707 A 84 ILE HG2% A 84 ILE HA 1.0 1.730 3.330 711 708 A 85 ASN HBy A 84 ILE HG2% 1.0 1.903 4.337 712 709 A 6 GLN HG2 A 84 ILE HG2% 1.0 1.852 3.968 713 710 A 6 GLN HBx A 84 ILE HG2% 1.0 1.913 4.413 714 711 A 6 GLN HBy A 84 ILE HG2% 1.0 1.732 3.340 715 712 A 84 ILE HB A 84 ILE HG2% 1.0 1.581 2.759 716 713 A 84 ILE HG1y A 84 ILE HG2% 1.0 1.780 3.570 717 714 A 85 ASN H A 84 ILE HG2% 1.0 1.842 3.908 718 715 A 18 LEU HDx% A 67 ALA HB% 1.0 1.596 2.810 719 716 A 18 LEU HDy% A 67 ALA HB% 1.0 1.553 2.665 720 717 A 13 GLN HGx A 67 ALA HB% 1.0 1.919 4.477 721 718 A 67 ALA HB% A 81 CYS HBx 1.0 1.630 2.930 722 719 A 67 ALA HB% A 81 CYS HBy 1.0 1.741 3.381 723 720 A 13 GLN HBy A 67 ALA HB% 1.0 1.781 3.575 724 721 A 18 LEU HBx A 67 ALA HB% 1.0 1.898 4.298 725 722 A 18 LEU HG A 67 ALA HB% 1.0 1.822 3.792 726 723 A 67 ALA HB% A 67 ALA H 1.0 1.649 2.999 727 724 A 13 GLN H A 67 ALA HB% 1.0 1.924 4.510 728 725 A 67 ALA HB% A 82 ASN H 1.0 1.794 3.638 729 726 A 67 ALA HB% A 68 CYS H 1.0 1.657 3.031 730 727 A 84 ILE H A 67 ALA HB% 1.0 1.906 4.362 731 728 A 67 ALA HB% A 81 CYS HA 1.0 1.851 3.967 732 729 A 67 ALA HB% A 66 PRO HA 1.0 1.881 4.171 733 730 A 67 ALA HB% A 68 CYS HA 1.0 1.907 4.365 734 731 A 66 PRO HDy A 65 ASN HBx 1.0 1.904 4.346 735 732 A 66 PRO HDy A 66 PRO HGx 1.0 1.650 3.004 736 733 A 66 PRO HGy A 66 PRO HDy 1.0 1.709 3.243 737 734 A 21 ALA HA A 21 ALA HB% 1.0 1.453 2.363 738 735 A 21 ALA HA A 44 VAL HGx% 1.0 1.666 3.064 739 736 A 21 ALA HA A 22 SER H 1.0 1.907 4.367 740 737 A 21 ALA HA A 27 ALA H 1.0 1.959 4.899 741 738 A 21 ALA HA A 21 ALA H 1.0 1.683 3.133 742 739 A 21 ALA HA A 26 ALA H 1.0 1.960 4.902 743 740 A 18 LEU HG A 65 ASN HBx 1.0 1.781 3.571 744 741 A 18 LEU HDx% A 65 ASN HBx 1.0 1.790 3.622 745 742 A 18 LEU HDy% A 65 ASN HBx 1.0 1.878 4.146 746 743 A 66 PRO HDx A 65 ASN HBx 1.0 1.948 4.756 747 744 A 65 ASN H A 65 ASN HBx 1.0 1.705 3.221 748 745 A 65 ASN HD22 A 65 ASN HBx 1.0 1.870 4.090 749 746 A 65 ASN HD21 A 65 ASN HBx 1.0 1.708 3.236 750 747 A 16 ASN HBx A 16 ASN HA 1.0 1.634 2.942 751 748 A 16 ASN HBy A 16 ASN HA 1.0 1.611 2.863 752 749 A 64 ALA HB% A 16 ASN HA 1.0 1.486 2.458 753 750 A 16 ASN H A 16 ASN HA 1.0 1.716 3.268 754 751 A 65 ASN H A 16 ASN HA 1.0 1.894 4.258 755 752 A 17 THR H A 16 ASN HA 1.0 1.871 4.097 756 753 A 65 ASN HD21 A 16 ASN HA 1.0 1.917 4.455 757 754 A 32 GLN HGy A 32 GLN HGx 1.0 1.359 2.113 758 755 A 32 GLN HBy A 32 GLN HGx 1.0 1.515 2.547 759 756 A 32 GLN H A 32 GLN HGx 1.0 1.781 3.575 760 757 A 83 PRO HBy A 83 PRO HGy 1.0 1.599 2.819 761 758 A 25 GLN H A 24 SER HBy 1.0 1.826 3.812 762 759 A 33 LEU HA A 33 LEU HBy 1.0 1.662 3.048 763 760 A 33 LEU HA A 33 LEU HBx 1.0 1.663 3.051 764 761 A 33 LEU HDx% A 33 LEU HA 1.0 1.878 4.146 765 762 A 33 LEU HA A 34 GLY H 1.0 1.913 4.417 766 763 A 33 LEU H A 33 LEU HA 1.0 1.758 3.458 767 764 A 83 PRO HBy A 83 PRO HA 1.0 1.637 2.953 768 765 A 83 PRO HBx A 83 PRO HA 1.0 1.668 3.076 769 766 A 67 ALA HB% A 83 PRO HA 1.0 1.747 3.409 770 767 A 84 ILE H A 83 PRO HA 1.0 1.545 2.641 771 768 A 19 THR HB A 17 THR HG2% 1.0 1.640 2.968 772 769 A 19 THR HG2% A 19 THR HB 1.0 1.573 2.729 773 770 A 19 THR HB A 19 THR HA 1.0 1.894 4.262 774 771 A 22 SER HBx A 22 SER H 1.0 1.782 3.576 775 772 A 43 PRO HDx A 43 PRO HBy 1.0 1.885 4.201 776 773 A 43 PRO HBx A 43 PRO HDx 1.0 1.837 3.881 777 774 A 43 PRO HG2 A 43 PRO HDx 1.0 1.588 2.778 778 775 A 42 VAL HGy% A 43 PRO HDx 1.0 1.809 3.723 779 776 A 42 VAL HGx% A 43 PRO HDx 1.0 1.708 3.234 780 777 A 43 PRO HDx A 42 VAL HA 1.0 1.522 2.568 781 778 A 43 PRO HDx A 81 CYS H 1.0 1.920 4.476 782 779 A 37 GLY HAx A 37 GLY HAy 1.0 1.280 1.920 783 780 A 38 VAL HGy% A 37 GLY HAx 1.0 1.956 4.852 784 781 A 34 GLY H A 34 GLY HAx 1.0 1.609 2.853 785 782 A 35 LEU H A 34 GLY HAx 1.0 1.792 3.628 786 783 A 44 VAL HA A 44 VAL HGx% 1.0 1.553 2.665 787 784 A 44 VAL HA A 44 VAL HB 1.0 1.611 2.863 788 785 A 44 VAL HA A 45 GLY H 1.0 1.593 2.797 789 786 A 81 CYS HBx A 81 CYS HBy 1.0 1.428 2.294 790 787 A 18 LEU HDx% A 81 CYS HBx 1.0 1.933 4.599 791 788 A 81 CYS HBx A 81 CYS H 1.0 1.789 3.611 792 789 A 43 PRO HBy A 43 PRO HA 1.0 1.698 3.194 793 790 A 43 PRO HBx A 43 PRO HA 1.0 1.611 2.861 794 791 A 43 PRO HA A 20 SER HA 1.0 1.665 3.061 795 792 A 86 VAL HA A 86 VAL HGx% 1.0 1.702 3.212 796 793 A 86 VAL HB A 86 VAL HGx% 1.0 1.658 3.034 797 794 A 86 VAL HGx% A 86 VAL H 1.0 1.842 3.906 798 795 A 80 GLN HA A 80 GLN HBy 1.0 1.752 3.432 799 796 A 80 GLN HA A 43 PRO HBy 1.0 1.766 3.496 800 797 A 80 GLN HA A 43 PRO HBx 1.0 1.853 3.979 801 798 A 80 GLN HA A 80 GLN HBx 1.0 1.567 2.713 802 799 A 80 GLN HA A 42 VAL HGx% 1.0 1.688 3.152 803 800 A 79 VAL HA A 80 GLN HA 1.0 1.896 4.274 804 801 A 80 GLN HA A 43 PRO HDx 1.0 1.801 3.679 805 802 A 80 GLN HA A 80 GLN H 1.0 1.532 2.598 806 803 A 80 GLN HA A 81 CYS H 1.0 1.583 2.763 807 804 A 32 GLN HGy A 32 GLN HA 1.0 1.827 3.815 808 805 A 88 LEU HG A 88 LEU H 1.0 1.939 4.667 809 806 A 9 ALA HB% A 9 ALA HA 1.0 1.549 2.653 810 807 A 10 GLY H A 9 ALA HA 1.0 1.712 3.254 811 808 A 85 ASN HBx A 84 ILE HA 1.0 1.960 4.904 812 809 A 84 ILE HB A 84 ILE HA 1.0 1.660 3.042 813 810 A 84 ILE HG1y A 84 ILE HA 1.0 1.794 3.636 814 811 A 84 ILE HD1% A 84 ILE HA 1.0 1.684 3.138 815 812 A 85 ASN HBy A 84 ILE HA 1.0 1.918 4.462 816 813 A 84 ILE HG1x A 84 ILE HA 1.0 1.799 3.663 817 814 A 19 THR HG2% A 23 ASN HBx 1.0 1.682 3.128 818 815 A 19 THR HG2% A 26 ALA HB% 1.0 1.604 2.838 819 816 A 19 THR HG2% A 46 ILE HG1x 1.0 1.730 3.332 820 817 A 19 THR HG2% A 44 VAL HB 1.0 1.957 4.863 821 818 A 19 THR HG2% A 44 VAL H 1.0 1.924 4.520 822 819 A 19 THR H A 19 THR HG2% 1.0 1.646 2.990 823 820 A 19 THR HG2% A 23 ASN HD22 1.0 1.841 3.901 824 821 A 19 THR HG2% A 26 ALA H 1.0 1.889 4.231 825 822 A 19 THR HG2% A 23 ASN HD21 1.0 1.957 4.863 826 823 A 19 THR HG2% A 18 LEU HA 1.0 1.862 4.038 827 824 A 35 LEU HDx% A 35 LEU HA 1.0 1.956 4.856 828 825 A 30 ILE HG1y A 35 LEU HDx% 1.0 1.945 4.731 829 826 A 35 LEU HDx% A 35 LEU HG 1.0 1.705 3.221 830 827 A 54 ILE HG1y A 54 ILE HG1x 1.0 1.413 2.253 831 828 A 54 ILE HD1% A 54 ILE HG1x 1.0 1.591 2.791 832 829 A 77 LEU H A 77 LEU HG 1.0 1.950 4.786 833 830 A 88 LEU HA A 88 LEU HBy 1.0 1.821 3.785 834 831 A 85 ASN HA A 88 LEU HA 1.0 1.862 4.036 835 832 A 88 LEU HA A 88 LEU H 1.0 1.857 4.001 836 833 A 31 GLN HA A 34 GLY HAy 1.0 1.889 4.227 837 834 A 35 LEU H A 34 GLY HAy 1.0 1.815 3.751 838 835 A 45 GLY HAy A 15 CYS HBx 1.0 1.790 3.620 839 836 A 18 LEU HDy% A 45 GLY HAy 1.0 1.698 3.194 840 837 A 44 VAL HGy% A 45 GLY HAy 1.0 1.953 4.827 841 838 A 45 GLY HAy A 78 GLY H 1.0 1.962 4.938 842 839 A 45 GLY H A 45 GLY HAy 1.0 1.727 3.317 843 840 A 46 ILE H A 45 GLY HAy 1.0 1.678 3.110 844 841 A 84 ILE HD1% A 84 ILE HG1x 1.0 1.541 2.627 845 842 A 19 THR HG2% A 46 ILE HB 1.0 1.851 3.969 846 843 A 18 LEU HDx% A 81 CYS HBy 1.0 1.922 4.500 847 844 A 82 ASN H A 81 CYS HBy 1.0 1.928 4.552 848 845 A 48 CYS HBy A 13 GLN HBx 1.0 1.829 3.831 849 846 A 48 CYS HBy A 49 ASN H 1.0 1.961 4.925 850 847 A 43 PRO HBx A 43 PRO HBy 1.0 1.434 2.310 851 848 A 43 PRO HG2 A 43 PRO HBy 1.0 1.517 2.551 852 849 A 43 PRO HBy A 81 CYS H 1.0 1.875 4.125 853 850 A 30 ILE HA A 27 ALA HA 1.0 1.937 4.649 854 851 A 30 ILE HB A 27 ALA HA 1.0 1.592 2.792 855 852 A 30 ILE HD1% A 27 ALA HA 1.0 1.601 2.827 856 853 A 30 ILE HG1x A 27 ALA HA 1.0 1.871 4.097 857 854 A 31 GLN HBy A 27 ALA HA 1.0 1.941 4.677 858 855 A 27 ALA HA A 27 ALA H 1.0 1.654 3.018 859 856 A 27 ALA HA A 28 GLY H 1.0 1.892 4.254 860 857 A 29 LEU H A 27 ALA HA 1.0 1.951 4.793 861 858 A 80 GLN HA A 80 GLN HGx 1.0 1.825 3.813 862 859 A 80 GLN H A 80 GLN HGx 1.0 1.922 4.500 863 860 A 80 GLN HE22 A 80 GLN HGx 1.0 1.779 3.563 864 861 A 81 CYS H A 80 GLN HGx 1.0 1.939 4.665 865 862 A 80 GLN HE21 A 80 GLN HGx 1.0 1.891 4.239 866 863 A 29 LEU HBy A 26 ALA HA 1.0 1.917 4.449 867 864 A 29 LEU HBy A 29 LEU HG 1.0 1.855 3.985 868 865 A 75 ASN HD21 A 29 LEU HBy 1.0 1.910 4.388 869 866 A 84 ILE HB A 84 ILE HG1y 1.0 1.757 3.457 870 867 A 84 ILE HB A 84 ILE HG1x 1.0 1.768 3.506 871 868 A 84 ILE HB A 66 PRO HGy 1.0 1.903 4.337 872 869 A 52 THR HG2% A 52 THR HB 1.0 1.532 2.598 873 870 A 79 VAL HGy% A 71 ASN H 1.0 1.958 4.874 874 871 A 54 ILE HB A 54 ILE HG1y 1.0 1.883 4.181 875 872 A 83 PRO HGx A 18 LEU HDx% 1.0 1.828 3.826 876 873 A 63 ASN HBy A 63 ASN HA 1.0 1.821 3.787 877 874 A 63 ASN HBy A 63 ASN HD21 1.0 1.898 4.294 878 875 A 31 GLN HBy A 28 GLY HAy 1.0 1.735 3.353 879 876 A 29 LEU HG A 28 GLY HAx 1.0 1.936 4.636 880 877 A 31 GLN H A 28 GLY HAy 1.0 1.847 3.943 881 878 A 76 GLY HAx A 74 THR HA 1.0 1.880 4.160 882 879 A 74 THR HG2% A 74 THR HA 1.0 1.585 2.771 883 880 A 74 THR HB A 74 THR HA 1.0 1.641 2.971 884 881 A 74 THR HA A 76 GLY H 1.0 1.861 4.029 885 882 A 75 ASN H A 74 THR HA 1.0 1.857 4.005 886 883 A 50 PRO HBy A 11 PRO HGy 1.0 1.766 3.498 887 884 A 11 PRO HBy A 11 PRO HGy 1.0 1.739 3.367 888 885 A 13 GLN HE22 A 11 PRO HGy 1.0 1.896 4.282 889 886 A 13 GLN HE21 A 11 PRO HGy 1.0 1.912 4.410 890 887 A 38 VAL HA A 38 VAL HGx% 1.0 1.578 2.750 891 888 A 38 VAL HB A 38 VAL HGx% 1.0 1.482 2.444 892 889 A 39 GLY H A 38 VAL HGx% 1.0 1.737 3.361 893 890 A 18 LEU HDx% A 83 PRO HA 1.0 1.961 4.931 894 891 A 18 LEU HDx% A 65 ASN HBy 1.0 1.668 3.072 895 892 A 18 LEU HDx% A 83 PRO HGy 1.0 1.795 3.643 896 893 A 18 LEU HDx% A 18 LEU HBy 1.0 1.681 3.123 897 894 A 18 LEU HDx% A 18 LEU HBx 1.0 1.708 3.236 898 895 A 72 VAL HA A 78 GLY HAx 1.0 1.875 4.129 899 896 A 78 GLY HAy A 78 GLY HAx 1.0 1.472 2.416 900 897 A 69 CYS HBy A 78 GLY HAx 1.0 1.926 4.536 901 898 A 77 LEU HDy% A 78 GLY HAx 1.0 1.877 4.143 902 899 A 72 VAL HGx% A 78 GLY HAx 1.0 1.735 3.349 903 900 A 79 VAL H A 78 GLY HAx 1.0 1.655 3.025 904 901 A 46 ILE HD1% A 26 ALA HB% 1.0 1.571 2.723 905 902 A 26 ALA HB% A 23 ASN HBx 1.0 1.644 2.980 906 903 A 30 ILE HG1y A 26 ALA HB% 1.0 1.826 3.812 907 904 A 26 ALA HB% A 26 ALA HA 1.0 1.462 2.388 908 905 A 21 ALA HA A 26 ALA HB% 1.0 1.519 2.559 909 906 A 26 ALA HB% A 27 ALA H 1.0 1.597 2.811 910 907 A 9 ALA HB% A 9 ALA H 1.0 1.734 3.348 911 908 A 26 ALA HB% A 26 ALA H 1.0 1.542 2.628 912 909 A 10 GLY H A 9 ALA HB% 1.0 1.816 3.760 913 910 A 19 THR HA A 20 SER HA 1.0 1.959 4.893 914 911 A 20 SER HA A 20 SER HB2 1.0 1.630 2.930 915 912 A 21 ALA HA A 20 SER HA 1.0 1.899 4.297 916 913 A 21 ALA HB% A 20 SER HA 1.0 1.868 4.074 917 914 A 44 VAL HGx% A 20 SER HA 1.0 1.823 3.801 918 915 A 44 VAL HGy% A 20 SER HA 1.0 1.767 3.503 919 916 A 44 VAL H A 20 SER HA 1.0 1.754 3.440 920 917 A 21 ALA H A 20 SER HA 1.0 1.525 2.577 921 918 A 22 SER H A 20 SER HA 1.0 1.939 4.665 922 919 A 43 PRO HDy A 42 VAL HA 1.0 1.556 2.674 923 920 A 42 VAL HB A 42 VAL HA 1.0 1.699 3.195 924 921 A 42 VAL HGy% A 42 VAL HA 1.0 1.569 2.719 925 922 A 42 VAL HGx% A 42 VAL HA 1.0 1.631 2.933 926 923 A 38 VAL HGx% A 42 VAL HA 1.0 1.917 4.457 927 924 A 42 VAL H A 42 VAL HA 1.0 1.735 3.355 928 925 A 52 THR HG2% A 3 GLY HAy 1.0 1.933 4.605 929 926 A 52 THR HG2% A 50 PRO HDx 1.0 1.954 4.828 930 927 A 52 THR HG2% A 50 PRO HBy 1.0 1.835 3.863 931 928 A 52 THR HG2% A 50 PRO HBx 1.0 1.768 3.506 932 929 A 35 LEU HDy% A 35 LEU HA 1.0 1.572 2.724 933 930 A 35 LEU HDy% A 33 LEU HBy 1.0 1.818 3.766 934 931 A 35 LEU HDy% A 35 LEU HG 1.0 1.527 2.583 935 932 A 35 LEU HDy% A 35 LEU H 1.0 1.821 3.789 936 933 A 51 ILE HB A 51 ILE HA 1.0 1.710 3.244 937 934 A 51 ILE HG1y A 51 ILE HA 1.0 1.782 3.578 938 935 A 52 THR HG2% A 51 ILE HA 1.0 1.898 4.294 939 936 A 51 ILE HG1x A 51 ILE HA 1.0 1.730 3.330 940 937 A 51 ILE HG2% A 51 ILE HA 1.0 1.623 2.905 941 938 A 51 ILE HD1% A 51 ILE HA 1.0 1.823 3.799 942 939 A 51 ILE H A 51 ILE HA 1.0 1.788 3.608 943 940 A 84 ILE HG2% A 66 PRO HGy 1.0 1.874 4.118 944 941 A 86 VAL HB A 66 PRO HGy 1.0 1.808 3.710 945 942 A 66 PRO HGy A 66 PRO HA 1.0 1.902 4.328 946 943 A 65 ASN HA A 66 PRO HGy 1.0 1.930 4.570 947 944 A 52 THR HG2% A 12 VAL HGy% 1.0 1.688 3.154 948 945 A 31 GLN HGy A 28 GLY HAy 1.0 1.943 4.713 949 946 A 77 LEU HDy% A 77 LEU HDx% 1.0 1.508 2.524 950 947 A 44 VAL HGy% A 77 LEU HDy% 1.0 1.718 3.276 951 948 A 77 LEU HDy% A 77 LEU HA 1.0 1.879 4.153 952 949 A 46 ILE HA A 77 LEU HDy% 1.0 1.851 3.967 953 950 A 44 VAL HB A 77 LEU HDy% 1.0 1.685 3.143 954 951 A 77 LEU HDy% A 29 LEU HBx 1.0 1.707 3.233 955 952 A 77 LEU HDy% A 77 LEU HG 1.0 1.559 2.683 956 953 A 77 LEU HDy% A 77 LEU HBy 1.0 1.607 2.847 957 954 A 77 LEU HDy% A 30 ILE H 1.0 1.933 4.603 958 955 A 77 LEU HDy% A 77 LEU H 1.0 1.911 4.401 959 956 A 85 ASN HA A 88 LEU HDy% 1.0 1.963 4.953 960 957 A 51 ILE HG1y A 51 ILE HG1x 1.0 1.491 2.473 961 958 A 22 SER HBx A 22 SER HBy 1.0 1.316 2.006 962 959 A 22 SER HBy A 22 SER HA 1.0 1.629 2.923 963 960 A 44 VAL HB A 26 ALA HB% 1.0 1.908 4.380 964 961 A 44 VAL HB A 44 VAL HGx% 1.0 1.547 2.643 965 962 A 44 VAL HB A 77 LEU HDx% 1.0 1.909 4.389 966 963 A 46 ILE HD1% A 44 VAL HB 1.0 1.870 4.096 967 964 A 44 VAL HB A 44 VAL H 1.0 1.898 4.302 968 965 A 33 LEU HDy% A 33 LEU HBy 1.0 1.837 3.879 969 966 A 33 LEU HDx% A 33 LEU HBy 1.0 1.688 3.156 970 967 A 30 ILE HA A 33 LEU HBy 1.0 1.948 4.768 971 968 A 33 LEU H A 33 LEU HBy 1.0 1.743 3.387 972 969 A 35 LEU H A 33 LEU HBy 1.0 1.916 4.446 973 970 A 43 PRO HBx A 81 CYS H 1.0 1.938 4.654 974 971 A 31 GLN HGy A 31 GLN HA 1.0 1.698 3.192 975 972 A 31 GLN HA A 30 ILE HA 1.0 1.926 4.532 976 973 A 31 GLN H A 31 GLN HA 1.0 1.563 2.697 977 974 A 31 GLN HA A 34 GLY H 1.0 1.736 3.358 978 975 A 33 LEU H A 31 GLN HA 1.0 1.933 4.597 979 976 A 35 LEU H A 31 GLN HA 1.0 1.898 4.300 980 977 A 5 SER HA A 6 GLN H 1.0 1.823 3.799 981 978 A 38 VAL HGx% A 42 VAL HB 1.0 1.673 3.095 982 979 A 38 VAL HA A 42 VAL HB 1.0 1.881 4.169 983 980 A 70 ASP HBx A 80 GLN HBx 1.0 1.828 3.826 984 981 A 70 ASP HBx A 9 ALA HB% 1.0 1.962 4.934 985 982 A 70 ASP HBx A 70 ASP HA 1.0 1.735 3.355 986 983 A 51 ILE HG1y A 51 ILE HB 1.0 1.749 3.417 987 984 A 12 VAL HGy% A 51 ILE HB 1.0 1.792 3.628 988 985 A 51 ILE HG2% A 51 ILE HB 1.0 1.640 2.966 989 986 A 51 ILE HB A 52 THR H 1.0 1.938 4.646 990 987 A 12 VAL HGx% A 7 CYS HBy 1.0 1.897 4.289 991 988 A 7 CYS HBy A 68 CYS HA 1.0 1.965 4.977 992 989 A 7 CYS HBy A 7 CYS HA 1.0 1.890 4.234 993 990 A 38 VAL HGy% A 37 GLY HAy 1.0 1.944 4.716 994 991 A 66 PRO HDx A 62 CYS HBy 1.0 1.902 4.324 995 992 A 66 PRO HDx A 66 PRO HGx 1.0 1.686 3.144 996 993 A 66 PRO HGy A 66 PRO HDx 1.0 1.657 3.031 997 994 A 66 PRO HDy A 66 PRO HDx 1.0 1.398 2.212 998 995 A 65 ASN H A 66 PRO HDx 1.0 1.960 4.904 999 996 A 42 VAL HGy% A 40 ALA HA 1.0 1.907 4.373 1000 997 A 29 LEU HBx A 26 ALA HA 1.0 1.734 3.346 1001 998 A 29 LEU HG A 26 ALA HA 1.0 1.837 3.877 1002 999 A 29 LEU HDx% A 26 ALA HA 1.0 1.583 2.765 1003 1000 A 46 ILE HD1% A 26 ALA HA 1.0 1.693 3.173 1004 1001 A 26 ALA HA A 27 ALA H 1.0 1.876 4.136 1005 1002 A 26 ALA H A 26 ALA HA 1.0 1.712 3.252 1006 1003 A 18 LEU HDy% A 81 CYS HBx 1.0 1.722 3.296 1007 1004 A 18 LEU HDy% A 81 CYS HBy 1.0 1.738 3.364 1008 1005 A 18 LEU HDy% A 18 LEU HBy 1.0 1.751 3.429 1009 1006 A 18 LEU HDy% A 18 LEU HBx 1.0 1.672 3.090 1010 1007 A 18 LEU HDy% A 18 LEU HDx% 1.0 1.351 2.091 1011 1008 A 18 LEU HDy% A 18 LEU HA 1.0 1.608 2.852 1012 1009 A 50 PRO HDy A 50 PRO HBx 1.0 1.856 3.998 1013 1010 A 50 PRO HBx A 50 PRO HBy 1.0 1.420 2.272 1014 1011 A 13 GLN HE21 A 50 PRO HBx 1.0 1.961 4.931 1015 1012 A 51 ILE H A 50 PRO HBx 1.0 1.904 4.346 1016 1013 A 51 ILE HD1% A 62 CYS HBx 1.0 1.698 3.194 1017 1014 A 14 CYS HBx A 51 ILE HD1% 1.0 1.759 3.463 1018 1015 A 12 VAL HB A 51 ILE HD1% 1.0 1.736 3.358 1019 1016 A 51 ILE HD1% A 51 ILE HB 1.0 1.654 3.020 1020 1017 A 51 ILE HG1y A 51 ILE HD1% 1.0 1.557 2.681 1021 1018 A 51 ILE HG1x A 51 ILE HD1% 1.0 1.427 2.291 1022 1019 A 51 ILE H A 51 ILE HD1% 1.0 1.923 4.509 1023 1020 A 49 ASN HBx A 50 PRO HDx 1.0 1.792 3.626 1024 1021 A 50 PRO HDx A 50 PRO HGy 1.0 1.604 2.834 1025 1022 A 50 PRO HDx A 50 PRO HBx 1.0 1.869 4.083 1026 1023 A 50 PRO HDx A 49 ASN HA 1.0 1.611 2.859 1027 1024 A 12 VAL HA A 68 CYS HA 1.0 1.889 4.219 1028 1025 A 68 CYS HBx A 68 CYS HA 1.0 1.676 3.102 1029 1026 A 68 CYS HA A 68 CYS HBy 1.0 1.719 3.279 1030 1027 A 13 GLN HGx A 68 CYS HA 1.0 1.883 4.183 1031 1028 A 68 CYS HA A 69 CYS H 1.0 1.545 2.641 1032 1029 A 13 GLN H A 68 CYS HA 1.0 1.832 3.846 1033 1030 A 82 ASN H A 68 CYS HA 1.0 1.940 4.672 1034 1031 A 71 ASN HBx A 79 VAL HB 1.0 1.835 3.871 1035 1032 A 80 GLN H A 79 VAL HB 1.0 1.964 4.964 1036 1033 A 71 ASN H A 79 VAL HB 1.0 1.913 4.423 1037 1034 A 71 ASN HD22 A 79 VAL HB 1.0 1.963 4.951 1038 1035 A 73 TYR HE1 A 79 VAL HB 1.0 1.785 3.593 1039 1035 A 73 TYR HE2 A 79 VAL HB 1.0 1.785 3.593 1040 1036 A 68 CYS HBx A 68 CYS HBy 1.0 1.392 2.198 1041 1037 A 84 ILE HD1% A 68 CYS HBx 1.0 1.906 4.356 1042 1038 A 68 CYS HBx A 69 CYS H 1.0 1.883 4.187 1043 1039 A 68 CYS HBx A 68 CYS H 1.0 1.830 3.840 1044 1040 A 76 GLY HAx A 76 GLY HAy 1.0 1.439 2.325 1045 1041 A 48 CYS H A 76 GLY HAy 1.0 1.837 3.881 1046 1042 A 76 GLY H A 76 GLY HAy 1.0 1.726 3.316 1047 1043 A 77 LEU H A 76 GLY HAy 1.0 1.903 4.341 1048 1044 A 69 CYS HBy A 69 CYS HBx 1.0 1.418 2.266 1049 1045 A 69 CYS HBy A 13 GLN HGy 1.0 1.903 4.337 1050 1046 A 69 CYS HBy A 69 CYS H 1.0 1.839 3.889 1051 1047 A 69 CYS HBy A 79 VAL H 1.0 1.878 4.148 1052 1048 A 69 CYS HBy A 70 ASP H 1.0 1.849 3.953 1053 1049 A 69 CYS HBy A 71 ASN H 1.0 1.836 3.872 1054 1050 A 84 ILE HG1y A 84 ILE HG1x 1.0 1.455 2.369 1055 1051 A 84 ILE HG1y A 68 CYS H 1.0 1.941 4.689 1056 1052 A 84 ILE H A 84 ILE HG1y 1.0 1.884 4.190 1057 1053 A 50 PRO HDy A 49 ASN HA 1.0 1.563 2.699 1058 1054 A 48 CYS HBx A 49 ASN HA 1.0 1.865 4.061 1059 1055 A 49 ASN HBx A 49 ASN HA 1.0 1.627 2.921 1060 1056 A 49 ASN H A 49 ASN HA 1.0 1.835 3.867 1061 1057 A 47 ASN HBx A 16 ASN HBx 1.0 1.666 3.066 1062 1058 A 47 ASN HBx A 47 ASN H 1.0 1.847 3.943 1063 1059 A 11 PRO HGy A 11 PRO HGx 1.0 1.401 2.219 1064 1060 A 11 PRO HA A 11 PRO HGx 1.0 1.947 4.753 1065 1061 A 13 GLN HE22 A 11 PRO HGx 1.0 1.938 4.662 1066 1062 A 13 GLN HE21 A 11 PRO HGx 1.0 1.939 4.665 1067 1063 A 67 ALA HB% A 67 ALA HA 1.0 1.516 2.550 1068 1064 A 84 ILE HG1x A 67 ALA HA 1.0 1.732 3.340 1069 1065 A 84 ILE HD1% A 67 ALA HA 1.0 1.713 3.257 1070 1066 A 68 CYS H A 67 ALA HA 1.0 1.608 2.850 1071 1067 A 14 CYS HA A 66 PRO HA 1.0 1.660 3.042 1072 1068 A 83 PRO HA A 67 ALA HA 1.0 1.748 3.410 1073 1069 A 30 ILE HA A 33 LEU HBx 1.0 1.968 5.022 1074 1070 A 77 LEU HG A 77 LEU HDx% 1.0 1.772 3.524 1075 1071 A 65 ASN HD22 A 65 ASN HBy 1.0 1.950 4.782 1076 1072 A 44 VAL H A 43 PRO HA 1.0 1.507 2.521 1077 1073 A 18 LEU HDy% A 83 PRO HGy 1.0 1.977 5.165 1078 1074 A 63 ASN HA A 63 ASN HBx 1.0 1.889 4.221 1079 1075 A 32 GLN HGy A 32 GLN HE21 1.0 1.899 4.305 1080 1076 A 6 GLN HBx A 6 GLN H 1.0 1.976 5.142 1081 1077 A 40 ALA H A 39 GLY HAx 1.0 1.635 2.945 1082 1078 A 71 ASN HA A 72 VAL H 1.0 1.581 2.755 1083 1079 A 32 GLN HBy A 32 GLN H 1.0 1.459 2.381 1084 1080 A 23 ASN HBy A 26 ALA H 1.0 1.861 4.025 1085 1081 A 56 ALA HB% A 56 ALA H 1.0 1.747 3.411 1086 1082 A 73 TYR HBx A 73 TYR H 1.0 1.711 3.249 1087 1083 A 73 TYR HBy A 73 TYR H 1.0 1.832 3.848 1088 1084 A 44 VAL HB A 78 GLY H 1.0 1.970 5.052 1089 1085 A 77 LEU HBx A 78 GLY H 1.0 1.964 4.958 1090 1086 A 77 LEU HBy A 78 GLY H 1.0 1.921 4.497 1091 1087 A 77 LEU HDy% A 78 GLY H 1.0 1.728 3.320 1092 1088 A 77 LEU HDx% A 78 GLY H 1.0 1.912 4.406 1093 1089 A 78 GLY HAy A 78 GLY H 1.0 1.731 3.335 1094 1090 A 78 GLY HAx A 78 GLY H 1.0 1.821 3.789 1095 1091 A 65 ASN HD22 A 64 ALA HB% 1.0 1.936 4.640 1096 1092 A 6 GLN HA A 7 CYS H 1.0 1.698 3.194 1097 1093 A 7 CYS HBx A 7 CYS H 1.0 1.841 3.899 1098 1094 A 7 CYS HBy A 7 CYS H 1.0 1.742 3.384 1099 1095 A 6 GLN HG2 A 7 CYS H 1.0 1.958 4.886 1100 1096 A 6 GLN HBx A 7 CYS H 1.0 1.893 4.261 1101 1097 A 6 GLN HBy A 7 CYS H 1.0 1.902 4.326 1102 1098 A 12 VAL HGx% A 7 CYS H 1.0 1.936 4.632 1103 1099 A 7 CYS HA A 7 CYS H 1.0 1.799 3.669 1104 1100 A 11 PRO HBy A 12 VAL H 1.0 1.844 3.922 1105 1101 A 11 PRO HBx A 12 VAL H 1.0 1.591 2.791 1106 1102 A 12 VAL H A 11 PRO HGy 1.0 1.895 4.267 1107 1103 A 52 THR HG2% A 12 VAL H 1.0 1.966 4.994 1108 1104 A 12 VAL HGy% A 12 VAL H 1.0 1.833 3.859 1109 1105 A 32 GLN HGx A 32 GLN HE21 1.0 1.832 3.850 1110 1106 A 32 GLN HE21 A 32 GLN HE22 1.0 1.286 1.934 1111 1107 A 47 ASN H A 46 ILE HB 1.0 1.968 5.022 1112 1108 A 47 ASN H A 29 LEU HDx% 1.0 1.906 4.358 1113 1109 A 39 GLY H A 42 VAL HGx% 1.0 1.879 4.151 1114 1110 A 39 GLY H A 42 VAL HB 1.0 1.950 4.788 1115 1111 A 34 GLY H A 34 GLY HAy 1.0 1.639 2.961 1116 1112 A 32 GLN HBy A 34 GLY H 1.0 1.968 5.018 1117 1113 A 34 GLY H A 33 LEU HBy 1.0 1.829 3.835 1118 1114 A 34 GLY H A 33 LEU HBx 1.0 1.934 4.606 1119 1115 A 30 ILE HG2% A 34 GLY H 1.0 1.983 5.287 1120 1116 A 35 LEU HDx% A 34 GLY H 1.0 1.967 5.005 1121 1117 A 35 LEU HBx A 34 GLY H 1.0 1.943 4.703 1122 1118 A 33 LEU H A 34 GLY H 1.0 1.669 3.073 1123 1119 A 35 LEU H A 34 GLY H 1.0 1.690 3.162 1124 1120 A 47 ASN HBx A 47 ASN HD22 1.0 1.981 5.257 1125 1121 A 46 ILE HG2% A 47 ASN HD22 1.0 1.958 4.874 1126 1122 A 47 ASN HD22 A 47 ASN HD21 1.0 1.298 1.962 1127 1123 A 69 CYS HBx A 81 CYS H 1.0 1.979 5.195 1128 1124 A 79 VAL HA A 81 CYS H 1.0 1.934 4.616 1129 1125 A 81 CYS H A 80 GLN HBy 1.0 1.983 5.273 1130 1126 A 81 CYS HBy A 81 CYS H 1.0 1.758 3.456 1131 1127 A 44 VAL HGx% A 81 CYS H 1.0 1.926 4.538 1132 1128 A 44 VAL HA A 81 CYS H 1.0 1.945 4.729 1133 1129 A 23 ASN H A 23 ASN HA 1.0 1.728 3.320 1134 1130 A 22 SER HBy A 23 ASN H 1.0 1.867 4.073 1135 1131 A 22 SER HBx A 23 ASN H 1.0 1.933 4.607 1136 1132 A 21 ALA HA A 23 ASN H 1.0 1.902 4.328 1137 1133 A 26 ALA HB% A 23 ASN H 1.0 1.775 3.543 1138 1134 A 19 THR HG2% A 23 ASN H 1.0 1.900 4.312 1139 1135 A 23 ASN H A 27 ALA H 1.0 1.963 4.949 1140 1136 A 21 ALA H A 20 SER HB2 1.0 1.725 3.307 1141 1137 A 21 ALA H A 42 VAL HB 1.0 1.927 4.551 1142 1138 A 21 ALA H A 22 SER H 1.0 1.777 3.553 1143 1139 A 21 ALA H A 42 VAL H 1.0 1.917 4.455 1144 1140 A 21 ALA H A 43 PRO HA 1.0 1.907 4.369 1145 1141 A 44 VAL H A 21 ALA H 1.0 1.933 4.597 1146 1142 A 80 GLN HE22 A 43 PRO HDy 1.0 1.980 5.224 1147 1143 A 80 GLN HE22 A 80 GLN HBx 1.0 1.942 4.692 1148 1144 A 80 GLN HE22 A 42 VAL HGy% 1.0 1.983 5.293 1149 1145 A 80 GLN HE22 A 80 GLN HE21 1.0 1.321 2.017 1150 1146 A 86 VAL HA A 86 VAL H 1.0 1.795 3.647 1151 1147 A 85 ASN HBx A 86 VAL H 1.0 1.946 4.738 1152 1148 A 85 ASN HBy A 86 VAL H 1.0 1.953 4.817 1153 1149 A 86 VAL HB A 86 VAL H 1.0 1.840 3.902 1154 1150 A 86 VAL HGy% A 86 VAL H 1.0 1.694 3.176 1155 1151 A 86 VAL H A 87 ASN H 1.0 1.784 3.588 1156 1152 A 32 GLN HGx A 32 GLN HE22 1.0 1.936 4.638 1157 1153 A 32 GLN HGy A 32 GLN HE22 1.0 1.987 5.349 1158 1154 A 46 ILE HG2% A 47 ASN HD21 1.0 1.987 5.363 1159 1155 A 71 ASN HA A 71 ASN H 1.0 1.855 3.993 1160 1156 A 71 ASN H A 70 ASP HBy 1.0 1.805 3.701 1161 1157 A 71 ASN H A 70 ASP HBx 1.0 1.764 3.486 1162 1158 A 69 CYS HBx A 71 ASN H 1.0 1.891 4.243 1163 1159 A 72 VAL HGx% A 71 ASN H 1.0 1.969 5.027 1164 1160 A 71 ASN H A 69 CYS HA 1.0 1.959 4.903 1165 1161 A 79 VAL H A 71 ASN H 1.0 1.835 3.867 1166 1162 A 70 ASP HBy A 70 ASP H 1.0 1.686 3.144 1167 1163 A 70 ASP HBx A 70 ASP H 1.0 1.662 3.048 1168 1164 A 69 CYS HBx A 70 ASP H 1.0 1.858 4.006 1169 1165 A 80 GLN HBx A 70 ASP H 1.0 1.847 3.941 1170 1166 A 71 ASN H A 70 ASP H 1.0 1.719 3.283 1171 1167 A 75 ASN HA A 75 ASN H 1.0 1.776 3.544 1172 1168 A 75 ASN H A 74 THR HB 1.0 1.948 4.758 1173 1169 A 75 ASN HBy A 75 ASN H 1.0 1.858 4.012 1174 1170 A 73 TYR HBx A 75 ASN H 1.0 1.886 4.204 1175 1171 A 75 ASN HBx A 75 ASN H 1.0 1.834 3.864 1176 1172 A 75 ASN H A 74 THR HG2% 1.0 1.954 4.826 1177 1173 A 33 LEU HDy% A 75 ASN H 1.0 1.909 4.387 1178 1174 A 33 LEU HDx% A 75 ASN H 1.0 1.970 5.042 1179 1175 A 75 ASN H A 74 THR H 1.0 1.942 4.692 1180 1176 A 10 GLY H A 10 GLY HAx 1.0 1.814 3.748 1181 1177 A 10 GLY H A 10 GLY HAy 1.0 1.774 3.540 1182 1178 A 7 CYS HBy A 10 GLY H 1.0 1.972 5.080 1183 1179 A 10 GLY H A 9 ALA H 1.0 1.842 3.910 1184 1180 A 29 LEU H A 28 GLY HAx 1.0 1.735 3.353 1185 1181 A 29 LEU HBx A 29 LEU H 1.0 1.696 3.184 1186 1182 A 29 LEU HG A 29 LEU H 1.0 1.660 3.040 1187 1183 A 29 LEU HBy A 29 LEU H 1.0 1.813 3.743 1188 1184 A 29 LEU H A 27 ALA H 1.0 1.971 5.061 1189 1185 A 31 GLN H A 29 LEU H 1.0 1.938 4.654 1190 1186 A 71 ASN HBy A 72 VAL H 1.0 1.795 3.641 1191 1187 A 71 ASN H A 72 VAL H 1.0 1.976 5.144 1192 1188 A 72 VAL H A 73 TYR HD1 1.0 1.982 5.264 1193 1188 A 72 VAL H A 73 TYR HD2 1.0 1.982 5.264 1194 1189 A 73 TYR H A 72 VAL H 1.0 1.979 5.211 1195 1190 A 43 PRO HDy A 80 GLN HE21 1.0 1.943 4.709 1196 1191 A 80 GLN HE21 A 80 GLN HBx 1.0 1.913 4.417 1197 1192 A 31 GLN HGx A 31 GLN HE21 1.0 1.977 5.163 1198 1193 A 31 GLN HE22 A 31 GLN HE21 1.0 1.263 1.879 1199 1194 A 86 VAL HA A 87 ASN H 1.0 1.667 3.065 1200 1195 A 87 ASN H A 87 ASN HBy 1.0 1.884 4.190 1201 1196 A 86 VAL HB A 87 ASN H 1.0 1.929 4.567 1202 1197 A 86 VAL HGy% A 87 ASN H 1.0 1.881 4.165 1203 1198 A 23 ASN HA A 23 ASN HD21 1.0 1.959 4.897 1204 1199 A 23 ASN HBy A 23 ASN HD21 1.0 1.906 4.358 1205 1200 A 23 ASN HBx A 23 ASN HD21 1.0 1.964 4.964 1206 1201 A 22 SER HBy A 22 SER H 1.0 1.666 3.068 1207 1202 A 40 ALA HA A 22 SER H 1.0 1.685 3.141 1208 1203 A 21 ALA HB% A 22 SER H 1.0 1.758 3.458 1209 1204 A 48 CYS H A 76 GLY HAx 1.0 1.881 4.167 1210 1205 A 48 CYS HBy A 48 CYS H 1.0 1.682 3.128 1211 1206 A 48 CYS H A 72 VAL HGy% 1.0 1.950 4.786 1212 1207 A 48 CYS H A 49 ASN H 1.0 1.974 5.116 1213 1208 A 48 CYS H A 47 ASN H 1.0 1.754 3.438 1214 1209 A 48 CYS H A 15 CYS HA 1.0 1.956 4.856 1215 1210 A 46 ILE H A 46 ILE HA 1.0 1.841 3.907 1216 1211 A 46 ILE H A 16 ASN HBy 1.0 1.986 5.340 1217 1212 A 46 ILE H A 46 ILE HB 1.0 1.729 3.327 1218 1213 A 46 ILE H A 17 THR HG2% 1.0 1.975 5.141 1219 1214 A 46 ILE H A 46 ILE HG2% 1.0 1.812 3.738 1220 1215 A 46 ILE H A 46 ILE HD1% 1.0 1.881 4.169 1221 1216 A 46 ILE H A 17 THR H 1.0 1.796 3.646 1222 1217 A 46 ILE H A 15 CYS HA 1.0 1.950 4.790 1223 1218 A 46 ILE H A 45 GLY H 1.0 1.982 5.254 1224 1219 A 51 ILE H A 50 PRO HA 1.0 1.522 2.568 1225 1220 A 51 ILE H A 50 PRO HBy 1.0 1.890 4.238 1226 1221 A 51 ILE H A 12 VAL HB 1.0 1.871 4.097 1227 1222 A 51 ILE H A 51 ILE HB 1.0 1.655 3.023 1228 1223 A 51 ILE H A 51 ILE HG1y 1.0 1.767 3.505 1229 1224 A 51 ILE H A 51 ILE HG1x 1.0 1.829 3.835 1230 1225 A 51 ILE H A 51 ILE HG2% 1.0 1.850 3.956 1231 1226 A 51 ILE H A 12 VAL H 1.0 1.989 5.433 1232 1227 A 25 GLN HA A 28 GLY H 1.0 1.918 4.458 1233 1228 A 29 LEU HBx A 28 GLY H 1.0 1.961 4.913 1234 1229 A 29 LEU HG A 28 GLY H 1.0 1.976 5.138 1235 1230 A 29 LEU H A 28 GLY H 1.0 1.734 3.348 1236 1231 A 27 ALA H A 28 GLY H 1.0 1.798 3.658 1237 1232 A 56 ALA HA A 56 ALA H 1.0 1.932 4.590 1238 1233 A 55 GLY HAy A 56 ALA H 1.0 1.869 4.081 1239 1234 A 55 GLY HAx A 56 ALA H 1.0 1.914 4.428 1240 1235 A 56 ALA H A 55 GLY H 1.0 1.971 5.063 1241 1236 A 15 CYS H A 65 ASN HBx 1.0 1.915 4.435 1242 1237 A 15 CYS HBy A 15 CYS H 1.0 1.693 3.171 1243 1238 A 64 ALA HB% A 15 CYS H 1.0 1.976 5.146 1244 1239 A 65 ASN H A 15 CYS H 1.0 1.877 4.141 1245 1240 A 15 CYS HA A 15 CYS H 1.0 1.805 3.693 1246 1241 A 48 CYS HA A 15 CYS H 1.0 1.915 4.437 1247 1242 A 69 CYS HBx A 82 ASN H 1.0 1.974 5.114 1248 1243 A 82 ASN HBy A 82 ASN H 1.0 1.797 3.653 1249 1244 A 82 ASN H A 81 CYS HBx 1.0 1.909 4.387 1250 1245 A 82 ASN H A 68 CYS H 1.0 1.803 3.685 1251 1246 A 82 ASN H A 82 ASN HD21 1.0 1.965 4.975 1252 1247 A 82 ASN H A 67 ALA HA 1.0 1.990 5.438 1253 1248 A 60 SER HA A 60 SER H 1.0 1.872 4.108 1254 1249 A 60 SER HB2 A 60 SER H 1.0 1.843 3.917 1255 1250 A 13 GLN HE22 A 13 GLN HE21 1.0 1.546 2.642 1256 1251 A 45 GLY H A 77 LEU HA 1.0 1.987 5.371 1257 1252 A 79 VAL HA A 45 GLY H 1.0 1.971 5.073 1258 1253 A 44 VAL HB A 45 GLY H 1.0 1.628 2.922 1259 1254 A 45 GLY H A 81 CYS HBy 1.0 1.986 5.362 1260 1255 A 45 GLY H A 77 LEU HDy% 1.0 1.741 3.383 1261 1256 A 45 GLY H A 77 LEU HDx% 1.0 1.940 4.682 1262 1257 A 75 ASN HD22 A 75 ASN HA 1.0 1.980 5.212 1263 1258 A 75 ASN HD22 A 29 LEU HBx 1.0 1.867 4.067 1264 1259 A 33 LEU HG A 75 ASN HD22 1.0 1.833 3.853 1265 1260 A 75 ASN HD22 A 29 LEU HBy 1.0 1.908 4.378 1266 1261 A 75 ASN HD22 A 29 LEU HDy% 1.0 1.829 3.829 1267 1262 A 75 ASN HD22 A 75 ASN HD21 1.0 1.454 2.364 1268 1263 A 61 SER HB2 A 61 SER H 1.0 1.787 3.599 1269 1264 A 61 SER H A 62 CYS H 1.0 1.946 4.744 1270 1265 A 30 ILE H A 27 ALA HA 1.0 1.815 3.749 1271 1266 A 29 LEU HBx A 30 ILE H 1.0 1.730 3.332 1272 1267 A 30 ILE H A 30 ILE HB 1.0 1.531 2.593 1273 1268 A 30 ILE H A 30 ILE HD1% 1.0 1.741 3.379 1274 1269 A 30 ILE HG1x A 30 ILE H 1.0 1.809 3.719 1275 1270 A 31 GLN H A 30 ILE H 1.0 1.670 3.080 1276 1271 A 30 ILE H A 28 GLY H 1.0 1.923 4.503 1277 1272 A 30 ILE H A 29 LEU H 1.0 1.692 3.170 1278 1273 A 35 LEU HBx A 35 LEU H 1.0 1.617 2.883 1279 1274 A 18 LEU H A 17 THR HB 1.0 1.954 4.832 1280 1275 A 18 LEU HBy A 18 LEU H 1.0 1.769 3.515 1281 1276 A 18 LEU HBx A 18 LEU H 1.0 1.873 4.111 1282 1277 A 18 LEU HG A 18 LEU H 1.0 1.858 4.008 1283 1278 A 19 THR HG2% A 18 LEU H 1.0 1.979 5.209 1284 1279 A 18 LEU HDx% A 18 LEU H 1.0 1.961 4.915 1285 1280 A 18 LEU HDy% A 18 LEU H 1.0 1.971 5.055 1286 1281 A 18 LEU H A 65 ASN HD22 1.0 1.984 5.294 1287 1282 A 13 GLN H A 13 GLN HA 1.0 1.850 3.964 1288 1283 A 13 GLN HGx A 13 GLN H 1.0 1.807 3.707 1289 1284 A 12 VAL HB A 13 GLN H 1.0 1.900 4.316 1290 1285 A 13 GLN HBy A 13 GLN H 1.0 1.756 3.450 1291 1286 A 12 VAL HGx% A 13 GLN H 1.0 1.794 3.636 1292 1287 A 79 VAL H A 79 VAL HGx% 1.0 1.660 3.042 1293 1288 A 51 ILE HD1% A 13 GLN H 1.0 1.971 5.065 1294 1289 A 13 GLN H A 67 ALA H 1.0 1.839 3.895 1295 1290 A 88 LEU HBy A 88 LEU H 1.0 1.764 3.488 1296 1291 A 35 LEU HA A 36 SER H 1.0 1.600 2.822 1297 1292 A 36 SER HB2 A 36 SER H 1.0 1.743 3.385 1298 1293 A 35 LEU HDy% A 36 SER H 1.0 1.889 4.225 1299 1294 A 36 SER HA A 36 SER H 1.0 1.833 3.861 1300 1295 A 35 LEU HBy A 36 SER H 1.0 1.966 4.996 1301 1296 A 84 ILE HG1x A 68 CYS H 1.0 1.957 4.871 1302 1297 A 84 ILE HD1% A 68 CYS H 1.0 1.908 4.374 1303 1298 A 81 CYS HA A 68 CYS H 1.0 1.983 5.271 1304 1299 A 68 CYS HA A 68 CYS H 1.0 1.882 4.178 1305 1300 A 59 GLY H A 58 SER HA 1.0 1.906 4.354 1306 1301 A 6 GLN HA A 6 GLN H 1.0 1.850 3.958 1307 1302 A 5 SER HBy A 6 GLN H 1.0 1.876 4.138 1308 1303 A 6 GLN HG2 A 6 GLN H 1.0 1.853 3.977 1309 1304 A 12 VAL HGx% A 6 GLN H 1.0 1.972 5.084 1310 1305 A 64 ALA HA A 64 ALA H 1.0 1.856 3.992 1311 1306 A 63 ASN HBy A 64 ALA H 1.0 1.919 4.467 1312 1307 A 64 ALA H A 63 ASN HA 1.0 1.819 3.779 1313 1308 A 64 ALA H A 63 ASN H 1.0 1.915 4.441 1314 1309 A 65 ASN H A 64 ALA H 1.0 1.936 4.628 1315 1310 A 61 SER HA A 62 CYS H 1.0 1.836 3.870 1316 1311 A 61 SER HB2 A 62 CYS H 1.0 1.939 4.661 1317 1312 A 62 CYS H A 62 CYS HA 1.0 1.935 4.619 1318 1313 A 77 LEU H A 77 LEU HA 1.0 1.852 3.972 1319 1314 A 77 LEU H A 76 GLY HAx 1.0 1.917 4.451 1320 1315 A 77 LEU H A 73 TYR HBy 1.0 1.963 4.957 1321 1316 A 77 LEU HBx A 77 LEU H 1.0 1.693 3.175 1322 1317 A 77 LEU HBy A 77 LEU H 1.0 1.728 3.326 1323 1318 A 29 LEU HDx% A 77 LEU H 1.0 1.914 4.426 1324 1319 A 77 LEU H A 78 GLY H 1.0 1.987 5.387 1325 1320 A 16 ASN H A 16 ASN HBx 1.0 1.676 3.102 1326 1321 A 47 ASN HBx A 16 ASN H 1.0 1.725 3.307 1327 1322 A 16 ASN H A 64 ALA HB% 1.0 1.949 4.775 1328 1323 A 16 ASN H A 17 THR H 1.0 1.716 3.272 1329 1324 A 46 ILE H A 16 ASN H 1.0 1.975 5.135 1330 1325 A 8 ASN HA A 8 ASN H 1.0 1.920 4.476 1331 1326 A 8 ASN H A 8 ASN HBy 1.0 1.859 4.017 1332 1327 A 69 CYS HBx A 69 CYS H 1.0 1.788 3.608 1333 1328 A 13 GLN HGy A 69 CYS H 1.0 1.985 5.337 1334 1329 A 54 ILE HA A 55 GLY H 1.0 1.727 3.317 1335 1330 A 55 GLY HAy A 55 GLY H 1.0 1.825 3.811 1336 1331 A 55 GLY HAx A 55 GLY H 1.0 1.801 3.675 1337 1332 A 54 ILE HG2% A 55 GLY H 1.0 1.939 4.661 1338 1333 A 54 ILE HB A 55 GLY H 1.0 1.978 5.180 1339 1334 A 79 VAL H A 79 VAL HB 1.0 1.729 3.329 1340 1335 A 79 VAL H A 73 TYR HE1 1.0 1.952 4.806 1341 1335 A 79 VAL H A 73 TYR HE2 1.0 1.952 4.806 1342 1336 A 44 VAL HGy% A 80 GLN H 1.0 1.984 5.302 1343 1337 A 80 GLN H A 81 CYS H 1.0 1.729 3.325 1344 1338 A 44 VAL HA A 80 GLN H 1.0 1.849 3.955 1345 1339 A 26 ALA H A 25 GLN HBx 1.0 1.960 4.908 1346 1340 A 26 ALA H A 24 SER HA 1.0 1.931 4.579 1347 1341 A 44 VAL HGy% A 26 ALA H 1.0 1.988 5.410 1348 1342 A 52 THR HA A 52 THR H 1.0 1.780 3.568 1349 1343 A 51 ILE HA A 52 THR H 1.0 1.560 2.686 1350 1344 A 50 PRO HDx A 52 THR H 1.0 1.977 5.177 1351 1345 A 51 ILE HG1y A 52 THR H 1.0 1.987 5.379 1352 1346 A 52 THR HG2% A 52 THR H 1.0 1.800 3.674 1353 1347 A 12 VAL HGy% A 52 THR H 1.0 1.972 5.088 1354 1348 A 51 ILE HG2% A 52 THR H 1.0 1.820 3.778 1355 1349 A 50 PRO HA A 52 THR H 1.0 1.986 5.350 1356 1350 A 51 ILE H A 52 THR H 1.0 1.892 4.252 1357 1351 A 85 ASN HD22 A 85 ASN HD21 1.0 1.296 1.956 1358 1352 A 52 THR HA A 53 GLY H 1.0 1.743 3.391 1359 1353 A 51 ILE HA A 53 GLY H 1.0 1.832 3.852 1360 1354 A 51 ILE HG2% A 53 GLY H 1.0 1.966 4.990 1361 1355 A 25 GLN H A 23 ASN HA 1.0 1.958 4.872 1362 1356 A 25 GLN H A 25 GLN HA 1.0 1.730 3.330 1363 1357 A 25 GLN H A 24 SER HA 1.0 1.880 4.164 1364 1358 A 23 ASN HBx A 25 GLN H 1.0 1.951 4.801 1365 1359 A 25 GLN H A 25 GLN HBx 1.0 1.866 4.062 1366 1360 A 25 GLN HBy A 25 GLN H 1.0 1.569 2.717 1367 1361 A 26 ALA HB% A 25 GLN H 1.0 1.931 4.589 1368 1362 A 19 THR HG2% A 25 GLN H 1.0 1.983 5.281 1369 1363 A 46 ILE HD1% A 25 GLN H 1.0 1.986 5.348 1370 1364 A 26 ALA H A 25 GLN H 1.0 1.618 2.886 1371 1365 A 25 GLN H A 23 ASN HD21 1.0 1.946 4.740 1372 1366 A 25 GLN H A 27 ALA H 1.0 1.943 4.701 1373 1367 A 23 ASN HA A 24 SER H 1.0 1.817 3.767 1374 1368 A 24 SER HA A 24 SER H 1.0 1.943 4.709 1375 1369 A 24 SER HBy A 24 SER H 1.0 1.912 4.408 1376 1370 A 37 GLY HAy A 37 GLY H 1.0 1.806 3.706 1377 1371 A 36 SER HA A 37 GLY H 1.0 1.799 3.665 1378 1372 A 37 GLY HAx A 37 GLY H 1.0 1.874 4.120 1379 1373 A 75 ASN HA A 76 GLY H 1.0 1.859 4.021 1380 1374 A 76 GLY HAx A 76 GLY H 1.0 1.659 3.039 1381 1375 A 72 VAL HGy% A 76 GLY H 1.0 1.931 4.583 1382 1376 A 75 ASN H A 76 GLY H 1.0 1.667 3.067 1383 1377 A 77 LEU H A 76 GLY H 1.0 1.714 3.262 1384 1378 A 49 ASN H A 13 GLN HA 1.0 1.945 4.729 1385 1379 A 49 ASN H A 14 CYS HBy 1.0 1.932 4.590 1386 1380 A 49 ASN H A 48 CYS HBx 1.0 1.880 4.158 1387 1381 A 49 ASN H A 49 ASN HBy 1.0 1.779 3.563 1388 1382 A 13 GLN HBx A 49 ASN H 1.0 1.961 4.915 1389 1383 A 49 ASN H A 49 ASN HD22 1.0 1.937 4.649 1390 1384 A 49 ASN H A 48 CYS HA 1.0 1.544 2.638 1391 1385 A 12 VAL HB A 67 ALA H 1.0 1.975 5.129 1392 1386 A 13 GLN HBy A 67 ALA H 1.0 1.956 4.862 1393 1387 A 84 ILE HG1x A 67 ALA H 1.0 1.785 3.591 1394 1388 A 51 ILE HD1% A 67 ALA H 1.0 1.893 4.259 1395 1389 A 12 VAL HA A 67 ALA H 1.0 1.984 5.302 1396 1390 A 67 ALA H A 67 ALA HA 1.0 1.803 3.687 1397 1391 A 85 ASN H A 84 ILE HA 1.0 1.581 2.759 1398 1392 A 85 ASN H A 85 ASN HBx 1.0 1.781 3.573 1399 1393 A 85 ASN HBy A 85 ASN H 1.0 1.774 3.536 1400 1394 A 84 ILE HB A 85 ASN H 1.0 1.807 3.707 1401 1395 A 85 ASN H A 86 VAL HGx% 1.0 1.916 4.442 1402 1396 A 85 ASN H A 86 VAL H 1.0 1.946 4.732 1403 1397 A 54 ILE HA A 54 ILE H 1.0 1.797 3.653 1404 1398 A 60 SER HB2 A 54 ILE H 1.0 1.965 4.973 1405 1399 A 54 ILE HB A 54 ILE H 1.0 1.749 3.417 1406 1400 A 54 ILE HG1x A 54 ILE H 1.0 1.852 3.970 1407 1401 A 54 ILE HG1y A 54 ILE H 1.0 1.838 3.884 1408 1402 A 54 ILE HG2% A 54 ILE H 1.0 1.845 3.927 1409 1403 A 55 GLY H A 54 ILE H 1.0 1.943 4.707 1410 1404 A 40 ALA HA A 41 ASN H 1.0 1.860 4.020 1411 1405 A 41 ASN HBy A 41 ASN H 1.0 1.838 3.882 1412 1406 A 41 ASN HBx A 41 ASN H 1.0 1.771 3.521 1413 1407 A 42 VAL HB A 41 ASN H 1.0 1.957 4.875 1414 1408 A 40 ALA HB% A 41 ASN H 1.0 1.751 3.427 1415 1409 A 42 VAL HGy% A 41 ASN H 1.0 1.923 4.503 1416 1410 A 42 VAL HA A 41 ASN H 1.0 1.984 5.294 1417 1411 A 41 ASN HA A 41 ASN H 1.0 1.854 3.986 1418 1412 A 74 THR HB A 74 THR H 1.0 1.963 4.953 1419 1413 A 74 THR HA A 74 THR H 1.0 1.920 4.480 1420 1414 A 73 TYR HBy A 74 THR H 1.0 1.915 4.439 1421 1415 A 73 TYR HBx A 74 THR H 1.0 1.950 4.780 1422 1416 A 74 THR HG2% A 74 THR H 1.0 1.911 4.399 1423 1417 A 16 ASN HD21 A 16 ASN HA 1.0 1.987 5.353 1424 1418 A 47 ASN HBy A 16 ASN HD21 1.0 1.976 5.160 1425 1419 A 16 ASN HD21 A 16 ASN HBx 1.0 1.929 4.563 1426 1420 A 47 ASN HBx A 16 ASN HD21 1.0 1.971 5.061 1427 1421 A 56 ALA HA A 57 GLY H 1.0 1.890 4.240 1428 1422 A 19 THR HA A 20 SER H 1.0 1.684 3.136 1429 1423 A 23 ASN HBy A 20 SER H 1.0 1.838 3.884 1430 1424 A 23 ASN HBx A 20 SER H 1.0 1.912 4.408 1431 1425 A 19 THR HG2% A 20 SER H 1.0 1.696 3.184 1432 1426 A 44 VAL HGy% A 20 SER H 1.0 1.929 4.561 1433 1427 A 21 ALA H A 20 SER H 1.0 1.963 4.953 1434 1428 A 23 ASN H A 20 SER H 1.0 1.892 4.248 1435 1429 A 20 SER HA A 20 SER H 1.0 1.821 3.785 1436 1430 A 7 CYS HBx A 9 ALA H 1.0 1.936 4.632 1437 1431 A 9 ALA H A 8 ASN HBy 1.0 1.836 3.872 1438 1432 A 29 LEU HBy A 30 ILE H 1.0 1.743 3.391 1439 1433 A 9 ALA H A 8 ASN H 1.0 1.925 4.529 1440 1434 A 46 ILE HB A 17 THR H 1.0 1.830 3.840 1441 1435 A 17 THR H A 46 ILE HG2% 1.0 1.956 4.868 1442 1436 A 25 GLN HGx A 25 GLN HE22 1.0 1.960 4.912 1443 1437 A 25 GLN HE22 A 25 GLN HE21 1.0 1.310 1.990 1444 1438 A 14 CYS H A 13 GLN HA 1.0 1.603 2.831 1445 1439 A 14 CYS H A 14 CYS HBy 1.0 1.758 3.458 1446 1440 A 14 CYS H A 48 CYS HBx 1.0 1.973 5.087 1447 1441 A 14 CYS H A 14 CYS HBx 1.0 1.779 3.557 1448 1442 A 13 GLN HBx A 14 CYS H 1.0 1.829 3.835 1449 1443 A 14 CYS H A 13 GLN HGy 1.0 1.972 5.078 1450 1444 A 14 CYS H A 51 ILE HG1y 1.0 1.946 4.744 1451 1445 A 14 CYS H A 51 ILE HG1x 1.0 1.968 5.010 1452 1446 A 14 CYS H A 51 ILE HD1% 1.0 1.978 5.186 1453 1447 A 51 ILE H A 14 CYS H 1.0 1.952 4.808 1454 1448 A 14 CYS H A 49 ASN H 1.0 1.774 3.540 1455 1449 A 14 CYS H A 48 CYS HA 1.0 1.930 4.578 1456 1450 A 14 CYS H A 14 CYS HA 1.0 1.845 3.925 1457 1451 A 23 ASN HBy A 23 ASN HD22 1.0 1.792 3.626 1458 1452 A 23 ASN HBx A 23 ASN HD22 1.0 1.921 4.489 1459 1453 A 23 ASN HD22 A 23 ASN HD21 1.0 1.396 2.208 1460 1454 A 25 GLN H A 23 ASN HD22 1.0 1.965 4.979 1461 1455 A 26 ALA HB% A 44 VAL H 1.0 1.983 5.277 1462 1456 A 44 VAL H A 43 PRO HBy 1.0 1.936 4.630 1463 1457 A 44 VAL H A 43 PRO HBx 1.0 1.927 4.549 1464 1458 A 44 VAL H A 81 CYS HBy 1.0 1.971 5.075 1465 1459 A 44 VAL HGx% A 44 VAL H 1.0 1.807 3.709 1466 1460 A 45 GLY H A 44 VAL H 1.0 1.985 5.339 1467 1461 A 82 ASN HBy A 82 ASN HD22 1.0 1.809 3.719 1468 1462 A 82 ASN HD21 A 82 ASN HD22 1.0 1.335 2.053 1469 1463 A 64 ALA HA A 65 ASN H 1.0 1.897 4.285 1470 1464 A 65 ASN H A 65 ASN HBy 1.0 1.850 3.964 1471 1465 A 65 ASN HD22 A 65 ASN H 1.0 1.853 3.983 1472 1466 A 65 ASN HD21 A 65 ASN H 1.0 1.779 3.559 1473 1467 A 65 ASN H A 14 CYS HA 1.0 1.978 5.186 1474 1468 A 32 GLN HGy A 32 GLN H 1.0 1.862 4.038 1475 1469 A 33 LEU HG A 32 GLN H 1.0 1.946 4.742 1476 1470 A 30 ILE HG2% A 32 GLN H 1.0 1.968 5.014 1477 1471 A 33 LEU H A 32 GLN H 1.0 1.705 3.221 1478 1472 A 30 ILE H A 32 GLN H 1.0 1.963 4.949 1479 1473 A 73 TYR H A 73 TYR HA 1.0 1.811 3.727 1480 1474 A 78 GLY HAy A 73 TYR H 1.0 1.967 5.001 1481 1475 A 77 LEU HBx A 73 TYR H 1.0 1.968 5.016 1482 1476 A 72 VAL HB A 73 TYR H 1.0 1.919 4.469 1483 1477 A 33 LEU HDy% A 73 TYR H 1.0 1.988 5.386 1484 1478 A 77 LEU H A 73 TYR H 1.0 1.666 3.068 1485 1479 A 73 TYR H A 78 GLY HAx 1.0 1.918 4.464 1486 1480 A 73 TYR HE1 A 73 TYR H 1.0 1.978 5.182 1487 1480 A 73 TYR HE2 A 73 TYR H 1.0 1.978 5.182 1488 1481 A 19 THR H A 19 THR HA 1.0 1.783 3.581 1489 1482 A 19 THR H A 19 THR HB 1.0 1.867 4.071 1490 1483 A 19 THR H A 45 GLY HAy 1.0 1.989 5.417 1491 1484 A 19 THR H A 18 LEU HBy 1.0 1.904 4.342 1492 1485 A 19 THR H A 18 LEU HBx 1.0 1.847 3.943 1493 1486 A 18 LEU HG A 19 THR H 1.0 1.964 4.966 1494 1487 A 19 THR H A 46 ILE HD1% 1.0 1.861 4.027 1495 1488 A 19 THR H A 18 LEU HA 1.0 1.524 2.574 1496 1489 A 25 GLN HGy A 25 GLN HE21 1.0 1.977 5.159 1497 1490 A 38 VAL HA A 38 VAL H 1.0 1.698 3.190 1498 1491 A 38 VAL H A 37 GLY HAy 1.0 1.817 3.759 1499 1492 A 38 VAL HB A 38 VAL H 1.0 1.630 2.930 1500 1493 A 35 LEU HBx A 38 VAL H 1.0 1.990 5.442 1501 1494 A 42 VAL HGx% A 38 VAL H 1.0 1.976 5.146 1502 1495 A 38 VAL H A 38 VAL HGx% 1.0 1.811 3.733 1503 1496 A 38 VAL H A 37 GLY H 1.0 1.830 3.834 1504 1497 A 38 VAL H A 36 SER H 1.0 1.963 4.941 1505 1498 A 39 GLY H A 38 VAL H 1.0 1.916 4.438 1506 1499 A 31 GLN H A 27 ALA HA 1.0 1.865 4.057 1507 1500 A 31 GLN H A 30 ILE HB 1.0 1.675 3.099 1508 1501 A 31 GLN H A 30 ILE HG2% 1.0 1.778 3.556 1509 1502 A 30 ILE HG1x A 31 GLN H 1.0 1.981 5.253 1510 1503 A 65 ASN HD22 A 65 ASN HD21 1.0 1.408 2.238 1511 1504 A 25 GLN HA A 27 ALA H 1.0 1.972 5.076 1512 1505 A 26 ALA H A 27 ALA H 1.0 1.598 2.814 1513 1506 A 40 ALA HA A 42 VAL H 1.0 1.870 4.090 1514 1507 A 42 VAL H A 41 ASN HBy 1.0 1.986 5.344 1515 1508 A 42 VAL HB A 42 VAL H 1.0 1.608 2.852 1516 1509 A 21 ALA HB% A 42 VAL H 1.0 1.785 3.591 1517 1510 A 42 VAL HGx% A 42 VAL H 1.0 1.838 3.882 1518 1511 A 38 VAL HGx% A 42 VAL H 1.0 1.911 4.401 1519 1512 A 42 VAL H A 41 ASN HA 1.0 1.902 4.320 1520 1513 A 42 VAL H A 41 ASN H 1.0 1.673 3.095 1521 1514 A 40 ALA H A 42 VAL H 1.0 1.970 5.046 1522 1515 A 78 GLY H A 77 LEU HA 1.0 1.619 2.891 1523 1516 A 46 ILE HA A 78 GLY H 1.0 1.957 4.869 1524 1517 A 45 GLY H A 78 GLY H 1.0 1.808 3.714 1525 1518 A 8 ASN HD22 A 8 ASN HD21 1.0 1.317 2.007 1526 1519 A 33 LEU H A 30 ILE HA 1.0 1.916 4.446 1527 1520 A 33 LEU HG A 33 LEU H 1.0 1.578 2.748 1528 1521 A 33 LEU H A 33 LEU HBx 1.0 1.818 3.766 1529 1522 A 33 LEU H A 32 GLN HGy 1.0 1.980 5.216 1530 1523 A 33 LEU H A 75 ASN HD21 1.0 1.958 4.878 1531 1524 A 84 ILE H A 84 ILE HA 1.0 1.804 3.692 1532 1525 A 84 ILE H A 66 PRO HGx 1.0 1.864 4.054 1533 1526 A 83 PRO HBx A 84 ILE H 1.0 1.844 3.922 1534 1527 A 84 ILE H A 84 ILE HB 1.0 1.811 3.729 1535 1528 A 84 ILE H A 84 ILE HG1x 1.0 1.814 3.748 1536 1529 A 84 ILE H A 84 ILE HD1% 1.0 1.762 3.476 1537 1530 A 84 ILE H A 67 ALA HA 1.0 1.764 3.490 1538 1531 A 71 ASN HD22 A 71 ASN HD21 1.0 1.336 2.054 1539 1532 A 49 ASN HD22 A 49 ASN HD21 1.0 1.321 2.017 1540 1533 A 19 THR H A 44 VAL H 1.0 1.805 3.701 1541 1534 A 9 ALA HA A 9 ALA H 1.0 1.814 3.748 1542 1535 A 30 ILE HA A 32 GLN H 1.0 1.995 5.601 1543 1536 A 19 THR H A 26 ALA HB% 1.0 1.973 5.095 1544 1537 A 30 ILE HD1% A 27 ALA H 1.0 1.968 5.028 1545 1538 A 30 ILE HB A 32 GLN H 1.0 1.986 5.330 1546 1539 A 30 ILE HB A 27 ALA H 1.0 1.996 5.626 1547 1540 A 83 PRO HBy A 83 PRO HDx 1.0 1.776 3.544 1548 1540 A 83 PRO HBy A 83 PRO HDy 1.0 1.776 3.544 1549 1541 A 11 PRO HBx A 11 PRO HDx 1.0 1.838 3.884 1550 1541 A 11 PRO HBx A 11 PRO HDy 1.0 1.838 3.884 1551 1542 A 62 CYS HBx A 62 CYS HA 1.0 1.603 2.833 1552 1542 A 62 CYS HBy A 62 CYS HA 1.0 1.603 2.833 1553 1543 A 82 ASN HA A 83 PRO HDx 1.0 1.451 2.357 1554 1543 A 82 ASN HA A 83 PRO HDy 1.0 1.451 2.357 1555 1544 A 86 VAL HA A 86 VAL HGx% 1.0 1.590 2.786 1556 1544 A 86 VAL HA A 86 VAL HGy% 1.0 1.590 2.786 1557 1545 A 82 ASN HBy A 83 PRO HDx 1.0 1.737 3.365 1558 1545 A 82 ASN HBy A 83 PRO HDy 1.0 1.737 3.365 1559 1546 A 66 PRO HDx A 66 PRO HBy 1.0 1.853 3.979 1560 1546 A 66 PRO HBx A 66 PRO HDx 1.0 1.853 3.979 1561 1547 A 66 PRO HBx A 62 CYS HBy 1.0 1.789 3.613 1562 1547 A 62 CYS HBy A 66 PRO HBy 1.0 1.789 3.613 1563 1548 A 65 ASN HA A 66 PRO HBy 1.0 1.921 4.487 1564 1548 A 66 PRO HBx A 65 ASN HA 1.0 1.921 4.487 1565 1549 A 66 PRO HBx A 86 VAL HGy% 1.0 1.804 3.690 1566 1549 A 86 VAL HGy% A 66 PRO HBy 1.0 1.804 3.690 1567 1550 A 66 PRO HA A 62 CYS HBx 1.0 1.934 4.604 1568 1550 A 66 PRO HA A 62 CYS HBy 1.0 1.934 4.604 1569 1551 A 66 PRO HA A 66 PRO HBy 1.0 1.516 2.548 1570 1551 A 66 PRO HBx A 66 PRO HA 1.0 1.516 2.548 1571 1552 A 9 ALA HB% A 8 ASN HBy 1.0 1.850 3.962 1572 1552 A 8 ASN HBx A 9 ALA HB% 1.0 1.850 3.962 1573 1553 A 8 ASN HBx A 8 ASN HA 1.0 1.507 2.521 1574 1553 A 8 ASN HA A 8 ASN HBy 1.0 1.507 2.521 1575 1554 A 10 GLY HAx A 11 PRO HDy 1.0 1.580 2.752 1576 1554 A 10 GLY HAx A 11 PRO HDx 1.0 1.580 2.752 1577 1555 A 83 PRO HBx A 83 PRO HDx 1.0 1.767 3.505 1578 1555 A 83 PRO HBx A 83 PRO HDy 1.0 1.767 3.505 1579 1556 A 83 PRO HGy A 83 PRO HDy 1.0 1.593 2.795 1580 1556 A 83 PRO HGy A 83 PRO HDx 1.0 1.593 2.795 1581 1557 A 82 ASN HBx A 83 PRO HDy 1.0 1.698 3.192 1582 1557 A 82 ASN HBx A 83 PRO HDx 1.0 1.698 3.192 1583 1558 A 18 LEU HDx% A 83 PRO HDy 1.0 1.765 3.493 1584 1558 A 18 LEU HDx% A 83 PRO HDx 1.0 1.765 3.493 1585 1559 A 18 LEU HDy% A 83 PRO HDx 1.0 1.914 4.428 1586 1559 A 18 LEU HDy% A 83 PRO HDy 1.0 1.914 4.428 1587 1560 A 86 VAL HGy% A 87 ASN HBy 1.0 1.916 4.444 1588 1560 A 86 VAL HGx% A 87 ASN HBy 1.0 1.916 4.444 1589 1561 A 66 PRO HGx A 66 PRO HBy 1.0 1.568 2.716 1590 1561 A 66 PRO HBx A 66 PRO HGx 1.0 1.568 2.716 1591 1562 A 66 PRO HDy A 66 PRO HBy 1.0 1.782 3.576 1592 1562 A 66 PRO HBx A 66 PRO HDy 1.0 1.782 3.576 1593 1563 A 11 PRO HBy A 11 PRO HDy 1.0 1.826 3.816 1594 1563 A 11 PRO HBy A 11 PRO HDx 1.0 1.826 3.816 1595 1564 A 86 VAL HB A 86 VAL HGx% 1.0 1.635 2.945 1596 1564 A 86 VAL HB A 86 VAL HGy% 1.0 1.635 2.945 1597 1565 A 29 LEU HBy A 29 LEU HDy% 1.0 1.688 3.154 1598 1565 A 29 LEU HDx% A 29 LEU HBy 1.0 1.688 3.154 1599 1566 A 83 PRO HGx A 83 PRO HDy 1.0 1.616 2.878 1600 1566 A 83 PRO HGx A 83 PRO HDx 1.0 1.616 2.878 1601 1567 A 66 PRO HBx A 62 CYS HBx 1.0 1.852 3.970 1602 1567 A 62 CYS HBx A 66 PRO HBy 1.0 1.852 3.970 1603 1568 A 27 ALA HB% A 28 GLY HAx 1.0 1.919 4.469 1604 1568 A 27 ALA HB% A 28 GLY HAy 1.0 1.919 4.469 1605 1569 A 13 GLN HE22 A 11 PRO HDx 1.0 1.909 4.385 1606 1569 A 13 GLN HE22 A 11 PRO HDy 1.0 1.909 4.385 1607 1570 A 66 PRO HGy A 66 PRO HBy 1.0 1.522 2.568 1608 1570 A 66 PRO HBx A 66 PRO HGy 1.0 1.522 2.568 1609 1571 A 11 PRO HGy A 11 PRO HDx 1.0 1.672 3.088 1610 1571 A 11 PRO HGy A 11 PRO HDy 1.0 1.672 3.088 1611 1572 A 10 GLY HAy A 11 PRO HDx 1.0 1.640 2.964 1612 1572 A 10 GLY HAy A 11 PRO HDy 1.0 1.640 2.964 1613 1573 A 13 GLN HE21 A 11 PRO HDx 1.0 1.956 4.850 1614 1573 A 13 GLN HE21 A 11 PRO HDy 1.0 1.956 4.850 1615 1574 A 31 GLN HA A 31 GLN HBx 1.0 1.475 2.427 1616 1574 A 31 GLN HBy A 31 GLN HA 1.0 1.475 2.427 1617 1575 A 29 LEU HG A 29 LEU HDy% 1.0 1.451 2.357 1618 1575 A 29 LEU HDx% A 29 LEU HG 1.0 1.451 2.357 1619 1576 A 51 ILE HD1% A 66 PRO HBx 1.0 1.792 3.626 1620 1576 A 51 ILE HD1% A 66 PRO HBy 1.0 1.792 3.626 1621 1577 A 11 PRO HGx A 11 PRO HDy 1.0 1.649 3.001 1622 1577 A 11 PRO HGx A 11 PRO HDx 1.0 1.649 3.001 1623 1578 A 8 ASN HBx A 8 ASN HD22 1.0 1.910 4.398 1624 1578 A 8 ASN HBy A 8 ASN HD22 1.0 1.910 4.398 1625 1579 A 10 GLY H A 11 PRO HDx 1.0 1.968 5.028 1626 1579 A 10 GLY H A 11 PRO HDy 1.0 1.968 5.028 1627 1580 A 29 LEU HDx% A 29 LEU H 1.0 1.818 3.768 1628 1580 A 29 LEU H A 29 LEU HDy% 1.0 1.818 3.768 1629 1581 A 35 LEU HDy% A 35 LEU H 1.0 1.814 3.746 1630 1581 A 35 LEU HDx% A 35 LEU H 1.0 1.814 3.746 1631 1582 A 88 LEU HDx% A 88 LEU H 1.0 1.984 5.296 1632 1582 A 88 LEU HDy% A 88 LEU H 1.0 1.984 5.296 1633 1583 A 62 CYS HBy A 62 CYS H 1.0 1.827 3.819 1634 1583 A 62 CYS HBx A 62 CYS H 1.0 1.827 3.819 1635 1584 A 66 PRO HBx A 67 ALA H 1.0 1.811 3.727 1636 1584 A 67 ALA H A 66 PRO HBy 1.0 1.811 3.727 1637 1585 A 8 ASN HBx A 8 ASN HD21 1.0 1.843 3.915 1638 1585 A 8 ASN HBy A 8 ASN HD21 1.0 1.843 3.915 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 13 GLN H A 67 ALA O 1.0 1.730 2.700 2 2 A 78 GLY H A 45 GLY O 1.0 1.730 2.700 3 3 A 46 ILE H A 17 THR O 1.0 1.730 2.700 4 4 A 44 VAL H A 19 THR O 1.0 1.730 2.700 5 5 A 14 CYS H A 49 ASN O 1.0 1.730 2.700 6 6 A 15 CYS H A 65 ASN O 1.0 1.730 2.700 7 7 A 68 CYS H A 82 ASN O 1.0 1.730 2.700 8 8 A 73 TYR H A 77 LEU O 1.0 1.730 2.700 9 9 A 28 GLY H A 24 SER O 1.0 1.730 2.700 10 10 A 32 GLN H A 28 GLY O 1.0 1.730 2.700 11 11 A 29 LEU H A 25 GLN O 1.0 1.730 2.700 12 12 A 30 ILE H A 26 ALA O 1.0 1.730 2.700 13 13 A 33 LEU H A 29 LEU O 1.0 1.730 2.700 14 14 A 31 GLN H A 27 ALA O 1.0 1.730 2.700 15 15 A 34 GLY H A 30 ILE O 1.0 1.730 2.700 16 16 A 67 ALA O A 13 GLN N 1.0 2.516 3.927 17 17 A 49 ASN O A 14 CYS N 1.0 2.516 3.927 18 18 A 29 LEU O A 33 LEU N 1.0 2.516 3.927 19 19 A 30 ILE O A 34 GLY N 1.0 2.516 3.927 20 20 A 26 ALA O A 30 ILE N 1.0 2.516 3.927 21 21 A 28 GLY O A 32 GLN N 1.0 2.516 3.927 22 22 A 77 LEU O A 73 TYR N 1.0 2.516 3.927 23 23 A 45 GLY O A 78 GLY N 1.0 2.516 3.927 24 24 A 17 THR O A 46 ILE N 1.0 2.516 3.927 25 25 A 27 ALA O A 31 GLN N 1.0 2.516 3.927 26 26 A 25 GLN O A 29 LEU N 1.0 2.516 3.927 27 27 A 24 SER O A 28 GLY N 1.0 2.516 3.927 28 28 A 19 THR O A 44 VAL N 1.0 2.516 3.927 29 29 A 82 ASN O A 68 CYS N 1.0 2.516 3.927 30 30 A 65 ASN O A 15 CYS N 1.0 2.516 3.927 31 31 A 45 GLY H A 78 GLY O 1.0 1.730 2.700 32 32 A 78 GLY O A 45 GLY N 1.0 2.516 3.927 33 33 A 49 ASN H A 14 CYS O 1.0 1.730 2.700 34 34 A 14 CYS O A 49 ASN N 1.0 2.516 3.927 35 35 A 67 ALA H A 13 GLN O 1.0 1.730 2.700 36 36 A 13 GLN O A 67 ALA N 1.0 2.516 3.927 37 37 A 77 LEU H A 73 TYR O 1.0 1.730 2.700 38 38 A 73 TYR O A 77 LEU N 1.0 2.516 3.927 39 39 A 82 ASN H A 68 CYS O 1.0 1.730 2.700 40 40 A 68 CYS O A 82 ASN N 1.0 2.516 3.927 41 41 A 84 ILE H A 66 PRO O 1.0 1.730 2.700 42 42 A 66 PRO O A 84 ILE N 1.0 2.516 3.927 43 43 A 16 ASN H A 47 ASN O 1.0 1.730 2.700 44 44 A 48 CYS H A 76 GLY O 1.0 1.730 2.700 45 45 A 79 VAL H A 71 ASN O 1.0 1.730 2.700 46 46 A 47 ASN H A 76 GLY O 1.0 1.730 2.700 47 47 A 76 GLY O A 47 ASN N 1.0 2.516 3.927 48 48 A 47 ASN O A 16 ASN N 1.0 2.516 3.927 49 49 A 76 GLY O A 48 CYS N 1.0 2.516 3.927 50 50 A 71 ASN O A 79 VAL N 1.0 2.516 3.927 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 4 SER C A 5 SER N A 5 SER CA A 5 SER C 1.0 -130.0 -33.96 PHI 2 2 A 5 SER N A 5 SER CA A 5 SER C A 6 GLN N 1.0 -50.0 21.96 PSI 3 3 A 5 SER C A 6 GLN N A 6 GLN CA A 6 GLN C 1.0 -100.0 -31.46 PHI 4 4 A 6 GLN N A 6 GLN CA A 6 GLN C A 7 CYS N 1.0 120.0 170.22 PSI 5 5 A 7 CYS C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -90.0 -39.92 PHI 6 6 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 ALA N 1.0 -50.0 4.12 PSI 7 7 A 8 ASN C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -120.0 -50.58 PHI 8 8 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 GLY N 1.0 -30.0 32.34 PSI 9 9 A 10 GLY C A 11 PRO N A 11 PRO CA A 11 PRO C 1.0 -100.0 -40.52 PHI 10 10 A 11 PRO N A 11 PRO CA A 11 PRO C A 12 VAL N 1.0 120.0 184.64 PSI 11 11 A 11 PRO C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -120.0 -35.76 PHI 12 12 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 GLN N 1.0 100.0 169.28 PSI 13 13 A 12 VAL C A 13 GLN N A 13 GLN CA A 13 GLN C 1.0 -160.0 -79.40 PHI 14 14 A 13 GLN N A 13 GLN CA A 13 GLN C A 14 CYS N 1.0 110.0 163.58 PSI 15 15 A 13 GLN C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -140.0 -89.76 PHI 16 16 A 14 CYS N A 14 CYS CA A 14 CYS C A 15 CYS N 1.0 100.0 151.56 PSI 17 17 A 14 CYS C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -160.0 -74.26 PHI 18 18 A 15 CYS N A 15 CYS CA A 15 CYS C A 16 ASN N 1.0 100.0 151.34 PSI 19 19 A 16 ASN C A 17 THR N A 17 THR CA A 17 THR C 1.0 -160.0 -90.82 PHI 20 20 A 17 THR N A 17 THR CA A 17 THR C A 18 LEU N 1.0 100.0 162.64 PSI 21 21 A 17 THR C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -140.0 -87.70 PHI 22 22 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 THR N 1.0 90.0 143.12 PSI 23 23 A 19 THR C A 20 SER N A 20 SER CA A 20 SER C 1.0 -110.0 -55.30 PHI 24 24 A 20 SER N A 20 SER CA A 20 SER C A 21 ALA N 1.0 140.0 189.82 PSI 25 25 A 20 SER C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -90.0 -34.96 PHI 26 26 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 SER N 1.0 -60.0 11.06 PSI 27 27 A 21 ALA C A 22 SER N A 22 SER CA A 22 SER C 1.0 -120.0 -55.04 PHI 28 28 A 22 SER N A 22 SER CA A 22 SER C A 23 ASN N 1.0 -30.0 22.08 PSI 29 29 A 22 SER C A 23 ASN N A 23 ASN CA A 23 ASN C 1.0 -120.0 -40.76 PHI 30 30 A 23 ASN N A 23 ASN CA A 23 ASN C A 24 SER N 1.0 80.0 160.50 PSI 31 31 A 23 ASN C A 24 SER N A 24 SER CA A 24 SER C 1.0 -80.0 -30.12 PHI 32 32 A 24 SER N A 24 SER CA A 24 SER C A 25 GLN N 1.0 -70.0 -3.78 PSI 33 33 A 24 SER C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -90.0 -39.00 PHI 34 34 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 ALA N 1.0 -60.0 -9.98 PSI 35 35 A 25 GLN C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -90.0 -35.90 PHI 36 36 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 ALA N 1.0 -70.0 -10.88 PSI 37 37 A 26 ALA C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -90.0 -35.56 PHI 38 38 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 GLY N 1.0 -70.0 -11.90 PSI 39 39 A 27 ALA C A 28 GLY N A 28 GLY CA A 28 GLY C 1.0 -90.0 -40.00 PHI 40 40 A 28 GLY N A 28 GLY CA A 28 GLY C A 29 LEU N 1.0 -60.0 -11.26 PSI 41 41 A 28 GLY C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -90.0 -39.98 PHI 42 42 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 ILE N 1.0 -70.0 -19.82 PSI 43 43 A 29 LEU C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -80.0 -49.64 PHI 44 44 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 GLN N 1.0 -70.0 -18.38 PSI 45 45 A 30 ILE C A 31 GLN N A 31 GLN CA A 31 GLN C 1.0 -90.0 -35.72 PHI 46 46 A 31 GLN N A 31 GLN CA A 31 GLN C A 32 GLN N 1.0 -70.0 -18.68 PSI 47 47 A 31 GLN C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -90.0 -39.06 PHI 48 48 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 LEU N 1.0 -60.0 -7.38 PSI 49 49 A 32 GLN C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -120.0 -65.74 PHI 50 50 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 GLY N 1.0 -30.0 36.00 PSI 51 51 A 33 LEU C A 34 GLY N A 34 GLY CA A 34 GLY C 1.0 60.0 110.04 PHI 52 52 A 34 GLY N A 34 GLY CA A 34 GLY C A 35 LEU N 1.0 -20.0 49.90 PSI 53 53 A 34 GLY C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -120.0 -19.02 PHI 54 54 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 SER N 1.0 100.0 185.04 PSI 55 55 A 35 LEU C A 36 SER N A 36 SER CA A 36 SER C 1.0 -100.0 -19.98 PHI 56 56 A 36 SER N A 36 SER CA A 36 SER C A 37 GLY N 1.0 110.0 161.36 PSI 57 57 A 37 GLY C A 38 VAL N A 38 VAL CA A 38 VAL C 1.0 -100.0 -31.84 PHI 58 58 A 38 VAL N A 38 VAL CA A 38 VAL C A 39 GLY N 1.0 110.0 163.48 PSI 59 59 A 40 ALA C A 41 ASN N A 41 ASN CA A 41 ASN C 1.0 -130.0 -54.54 PHI 60 60 A 41 ASN N A 41 ASN CA A 41 ASN C A 42 VAL N 1.0 -30.0 30.20 PSI 61 61 A 41 ASN C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -100.0 -31.04 PHI 62 62 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 PRO N 1.0 100.0 155.52 PSI 63 63 A 42 VAL C A 43 PRO N A 43 PRO CA A 43 PRO C 1.0 -90.0 -29.84 PHI 64 64 A 43 PRO N A 43 PRO CA A 43 PRO C A 44 VAL N 1.0 110.0 168.34 PSI 65 65 A 43 PRO C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -170.0 -98.22 PHI 66 66 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 GLY N 1.0 110.0 196.92 PSI 67 67 A 44 VAL C A 45 GLY N A 45 GLY CA A 45 GLY C 1.0 -150.0 -54.60 PHI 68 68 A 45 GLY N A 45 GLY CA A 45 GLY C A 46 ILE N 1.0 90.0 151.90 PSI 69 69 A 45 GLY C A 46 ILE N A 46 ILE CA A 46 ILE C 1.0 -150.0 -72.40 PHI 70 70 A 46 ILE N A 46 ILE CA A 46 ILE C A 47 ASN N 1.0 90.0 160.40 PSI 71 71 A 47 ASN C A 48 CYS N A 48 CYS CA A 48 CYS C 1.0 -180.0 -97.12 PHI 72 72 A 48 CYS N A 48 CYS CA A 48 CYS C A 49 ASN N 1.0 100.0 203.88 PSI 73 73 A 49 ASN C A 50 PRO N A 50 PRO CA A 50 PRO C 1.0 -100.0 -15.68 PHI 74 74 A 50 PRO N A 50 PRO CA A 50 PRO C A 51 ILE N 1.0 120.0 171.36 PSI 75 75 A 50 PRO C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -180.0 -21.74 PHI 76 76 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 THR N 1.0 90.0 175.56 PSI 77 77 A 51 ILE C A 52 THR N A 52 THR CA A 52 THR C 1.0 -120.0 -30.22 PHI 78 78 A 52 THR N A 52 THR CA A 52 THR C A 53 GLY N 1.0 -70.0 25.88 PSI 79 79 A 53 GLY C A 54 ILE N A 54 ILE CA A 54 ILE C 1.0 -180.0 26.74 PHI 80 80 A 54 ILE N A 54 ILE CA A 54 ILE C A 55 GLY N 1.0 100.0 188.12 PSI 81 81 A 57 GLY C A 58 SER N A 58 SER CA A 58 SER C 1.0 -110.0 -34.24 PHI 82 82 A 58 SER N A 58 SER CA A 58 SER C A 59 GLY N 1.0 -50.0 1.42 PSI 83 83 A 59 GLY C A 60 SER N A 60 SER CA A 60 SER C 1.0 -110.0 -21.76 PHI 84 84 A 60 SER N A 60 SER CA A 60 SER C A 61 SER N 1.0 120.0 171.30 PSI 85 85 A 60 SER C A 61 SER N A 61 SER CA A 61 SER C 1.0 -170.0 -0.40 PHI 86 86 A 61 SER N A 61 SER CA A 61 SER C A 62 CYS N 1.0 90.0 176.32 PSI 87 87 A 61 SER C A 62 CYS N A 62 CYS CA A 62 CYS C 1.0 -180.0 -44.90 PHI 88 88 A 62 CYS N A 62 CYS CA A 62 CYS C A 63 ASN N 1.0 90.0 166.38 PSI 89 89 A 64 ALA C A 65 ASN N A 65 ASN CA A 65 ASN C 1.0 -160.0 -8.28 PHI 90 90 A 65 ASN N A 65 ASN CA A 65 ASN C A 66 PRO N 1.0 90.0 167.42 PSI 91 91 A 65 ASN C A 66 PRO N A 66 PRO CA A 66 PRO C 1.0 -110.0 -26.08 PHI 92 92 A 66 PRO N A 66 PRO CA A 66 PRO C A 67 ALA N 1.0 100.0 179.78 PSI 93 93 A 67 ALA C A 68 CYS N A 68 CYS CA A 68 CYS C 1.0 -160.0 -56.64 PHI 94 94 A 68 CYS N A 68 CYS CA A 68 CYS C A 69 CYS N 1.0 90.0 160.48 PSI 95 95 A 68 CYS C A 69 CYS N A 69 CYS CA A 69 CYS C 1.0 -180.0 -10.84 PHI 96 96 A 69 CYS N A 69 CYS CA A 69 CYS C A 70 ASP N 1.0 80.0 202.44 PSI 97 97 A 69 CYS C A 70 ASP N A 70 ASP CA A 70 ASP C 1.0 -90.0 -40.00 PHI 98 98 A 70 ASP N A 70 ASP CA A 70 ASP C A 71 ASN N 1.0 -50.0 0.00 PSI 99 99 A 70 ASP C A 71 ASN N A 71 ASN CA A 71 ASN C 1.0 -180.0 -60.00 PHI 100 100 A 71 ASN N A 71 ASN CA A 71 ASN C A 72 VAL N 1.0 130.0 170.00 PSI 101 101 A 71 ASN C A 72 VAL N A 72 VAL CA A 72 VAL C 1.0 -180.0 -60.00 PHI 102 102 A 72 VAL N A 72 VAL CA A 72 VAL C A 73 TYR N 1.0 110.0 170.00 PSI 103 103 A 73 TYR C A 74 THR N A 74 THR CA A 74 THR C 1.0 -90.0 -39.92 PHI 104 104 A 74 THR N A 74 THR CA A 74 THR C A 75 ASN N 1.0 -40.0 9.82 PSI 105 105 A 74 THR C A 75 ASN N A 75 ASN CA A 75 ASN C 1.0 -120.0 -50.52 PHI 106 106 A 75 ASN N A 75 ASN CA A 75 ASN C A 76 GLY N 1.0 -20.0 14.20 PSI 107 107 A 75 ASN C A 76 GLY N A 76 GLY CA A 76 GLY C 1.0 60.0 110.30 PHI 108 108 A 76 GLY N A 76 GLY CA A 76 GLY C A 77 LEU N 1.0 -30.0 59.54 PSI 109 109 A 76 GLY C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -160.0 -22.22 PHI 110 110 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 GLY N 1.0 90.0 177.40 PSI 111 111 A 77 LEU C A 78 GLY N A 78 GLY CA A 78 GLY C 1.0 -170.0 -59.80 PHI 112 112 A 78 GLY N A 78 GLY CA A 78 GLY C A 79 VAL N 1.0 90.0 160.52 PSI 113 113 A 78 GLY C A 79 VAL N A 79 VAL CA A 79 VAL C 1.0 -160.0 -72.10 PHI 114 114 A 79 VAL N A 79 VAL CA A 79 VAL C A 80 GLN N 1.0 100.0 160.52 PSI 115 115 A 80 GLN C A 81 CYS N A 81 CYS CA A 81 CYS C 1.0 -180.0 -77.02 PHI 116 116 A 81 CYS N A 81 CYS CA A 81 CYS C A 82 ASN N 1.0 100.0 189.76 PSI 117 117 A 81 CYS C A 82 ASN N A 82 ASN CA A 82 ASN C 1.0 -160.0 -68.58 PHI 118 118 A 82 ASN N A 82 ASN CA A 82 ASN C A 83 PRO N 1.0 90.0 165.46 PSI 119 119 A 82 ASN C A 83 PRO N A 83 PRO CA A 83 PRO C 1.0 -100.0 -41.80 PHI 120 120 A 83 PRO N A 83 PRO CA A 83 PRO C A 84 ILE N 1.0 120.0 169.98 PSI 121 121 A 83 PRO C A 84 ILE N A 84 ILE CA A 84 ILE C 1.0 -170.0 -80.66 PHI 122 122 A 84 ILE N A 84 ILE CA A 84 ILE C A 85 ASN N 1.0 100.0 172.62 PSI 123 123 A 85 ASN C A 86 VAL N A 86 VAL CA A 86 VAL C 1.0 -180.0 -129.06 PHI 124 124 A 86 VAL N A 86 VAL CA A 86 VAL C A 87 ASN N 1.0 90.0 210.56 PSI stop_ save_