data_nef_c30504_6e98 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 6E98 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 6 CYS SG 1 65 CYS SG 1 13 CYS SG 1 59 CYS SG 1 14 CYS SG 1 47 CYS SG 1 66 CYS SG 1 79 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 TRP middle . . 4 A 4 GLY middle . false 5 A 5 GLN middle . . 6 A 6 CYS middle -HG . 7 A 7 SER middle . . 8 A 8 THR middle . . 9 A 9 GLY middle . false 10 A 10 SER middle . . 11 A 11 ILE middle . . 12 A 12 GLN middle . . 13 A 13 CYS middle -HG . 14 A 14 CYS middle -HG . 15 A 15 GLN middle . . 16 A 16 ASN middle . . 17 A 17 VAL middle . . 18 A 18 VAL middle . . 19 A 19 PRO middle . false 20 A 20 GLY middle . false 21 A 21 ASP middle . . 22 A 22 SER middle . . 23 A 23 ASP middle . . 24 A 24 LEU middle . . 25 A 25 GLY middle . false 26 A 26 THR middle . . 27 A 27 LEU middle . . 28 A 28 LEU middle . . 29 A 29 LEU middle . . 30 A 30 ASP middle . . 31 A 31 GLU middle . . 32 A 32 LEU middle . . 33 A 33 GLY middle . false 34 A 34 ILE middle . . 35 A 35 VAL middle . . 36 A 36 LEU middle . . 37 A 37 GLU middle . . 38 A 38 ASP middle . . 39 A 39 PRO middle . false 40 A 40 THR middle . . 41 A 41 VAL middle . . 42 A 42 LEU middle . . 43 A 43 ILE middle . . 44 A 44 GLY middle . false 45 A 45 ASP middle . . 46 A 46 GLY middle . false 47 A 47 CYS middle -HG . 48 A 48 ASP middle . . 49 A 49 PRO middle . false 50 A 50 ILE middle . . 51 A 51 THR middle . . 52 A 52 VAL middle . . 53 A 53 ALA middle . . 54 A 54 GLY middle . false 55 A 55 SER middle . . 56 A 56 SER middle . . 57 A 57 ASP middle . . 58 A 58 ALA middle . . 59 A 59 CYS middle -HG . 60 A 60 SER middle . . 61 A 61 ALA middle . . 62 A 62 THR middle . . 63 A 63 ALA middle . . 64 A 64 VAL middle . . 65 A 65 CYS middle -HG . 66 A 66 CYS middle -HG . 67 A 67 SER middle . . 68 A 68 ASP middle . . 69 A 69 ASN middle . . 70 A 70 ASN middle . . 71 A 71 VAL middle . . 72 A 72 SER middle . . 73 A 73 GLY middle . false 74 A 74 VAL middle . . 75 A 75 ILE middle . . 76 A 76 ALA middle . . 77 A 77 ILE middle . . 78 A 78 GLY middle . false 79 A 79 CYS middle -HG . 80 A 80 LEU middle . . 81 A 81 PRO middle . false 82 A 82 VAL middle . . 83 A 83 THR middle . . 84 A 84 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 HAx H 1 3.767 . A 1 GLY HAy H 1 3.822 . A 1 GLY CA C 13 43.442 0.001 A 2 SER HA H 1 4.512 0.002 A 2 SER HB2 H 1 3.773 0.003 A 2 SER C C 13 174.187 0.005 A 2 SER CA C 13 58.192 0.039 A 2 SER CB C 13 63.942 0.007 A 3 TRP H H 1 8.289 0.004 A 3 TRP HA H 1 4.640 0.005 A 3 TRP HBy H 1 3.290 0.006 A 3 TRP HBx H 1 3.219 0.004 A 3 TRP HD1 H 1 7.244 0.004 A 3 TRP HE1 H 1 10.126 0.0 A 3 TRP HE3 H 1 7.546 0.005 A 3 TRP HH2 H 1 7.138 0.017 A 3 TRP HZ2 H 1 7.417 0.004 A 3 TRP HZ3 H 1 7.058 0.007 A 3 TRP C C 13 176.799 0.003 A 3 TRP CA C 13 57.521 0.065 A 3 TRP CB C 13 29.556 0.088 A 3 TRP CD1 C 13 127.086 0.042 A 3 TRP CE3 C 13 120.712 0.101 A 3 TRP CH2 C 13 124.265 . A 3 TRP CZ2 C 13 114.578 0.019 A 3 TRP CZ3 C 13 121.643 0.035 A 3 TRP N N 15 122.844 0.008 A 3 TRP NE1 N 15 129.354 0.007 A 4 GLY H H 1 8.283 0.003 A 4 GLY HAy H 1 3.801 0.008 A 4 GLY HAx H 1 3.785 0.02 A 4 GLY C C 13 173.819 0.005 A 4 GLY CA C 13 45.657 0.037 A 4 GLY N N 15 110.136 0.01 A 5 GLN H H 1 8.159 0.002 A 5 GLN HA H 1 4.328 0.001 A 5 GLN HBy H 1 2.110 0.004 A 5 GLN HBx H 1 1.929 0.003 A 5 GLN HE21 H 1 7.537 0.017 A 5 GLN HE22 H 1 6.883 0.001 A 5 GLN HG2 H 1 2.315 0.008 A 5 GLN C C 13 175.426 0.019 A 5 GLN CA C 13 55.845 0.016 A 5 GLN CB C 13 29.700 0.039 A 5 GLN CG C 13 33.927 0.014 A 5 GLN N N 15 118.416 0.011 A 5 GLN NE2 N 15 112.251 0.006 A 6 CYS H H 1 8.461 0.003 A 6 CYS HA H 1 4.956 0.003 A 6 CYS HBy H 1 3.092 0.004 A 6 CYS HBx H 1 2.637 0.002 A 6 CYS C C 13 174.692 0.011 A 6 CYS CA C 13 53.961 0.031 A 6 CYS CB C 13 38.455 0.048 A 6 CYS N N 15 120.554 0.027 A 7 SER H H 1 8.788 0.006 A 7 SER HA H 1 4.317 0.009 A 7 SER HBx H 1 3.929 0.018 A 7 SER HBy H 1 3.940 0.019 A 7 SER C C 13 175.312 0.012 A 7 SER CA C 13 60.688 0.035 A 7 SER CB C 13 63.236 0.046 A 7 SER N N 15 120.267 0.034 A 8 THR H H 1 7.671 0.005 A 8 THR HA H 1 4.434 0.003 A 8 THR HB H 1 4.338 0.003 A 8 THR HG2% H 1 1.160 0.003 A 8 THR C C 13 174.138 0.008 A 8 THR CA C 13 61.181 0.059 A 8 THR CB C 13 69.577 0.016 A 8 THR CG2 C 13 21.520 0.019 A 8 THR N N 15 111.416 0.017 A 9 GLY H H 1 7.699 0.002 A 9 GLY HAx H 1 3.957 0.003 A 9 GLY HAy H 1 4.087 0.001 A 9 GLY C C 13 172.933 0.001 A 9 GLY CA C 13 45.130 0.031 A 9 GLY N N 15 110.448 0.008 A 10 SER H H 1 8.388 0.012 A 10 SER HA H 1 4.755 0.003 A 10 SER HBy H 1 3.825 0.002 A 10 SER HBx H 1 3.727 0.003 A 10 SER C C 13 173.857 0.004 A 10 SER CA C 13 57.167 0.015 A 10 SER CB C 13 65.077 0.026 A 10 SER N N 15 115.188 0.043 A 11 ILE H H 1 8.417 0.011 A 11 ILE HA H 1 4.717 0.005 A 11 ILE HB H 1 1.694 0.003 A 11 ILE HD1% H 1 0.653 0.005 A 11 ILE HG1x H 1 0.896 0.004 A 11 ILE HG1y H 1 1.500 0.003 A 11 ILE HG2% H 1 0.743 0.007 A 11 ILE C C 13 175.577 0.004 A 11 ILE CA C 13 61.062 0.044 A 11 ILE CB C 13 38.014 0.046 A 11 ILE CD1 C 13 13.400 0.016 A 11 ILE CG1 C 13 28.756 0.008 A 11 ILE CG2 C 13 18.043 0.048 A 11 ILE N N 15 124.505 0.025 A 12 GLN H H 1 9.192 0.003 A 12 GLN HA H 1 4.714 0.011 A 12 GLN HBx H 1 2.001 0.011 A 12 GLN HBy H 1 2.075 0.003 A 12 GLN HE21 H 1 6.351 0.002 A 12 GLN HE22 H 1 6.809 0.003 A 12 GLN HG2 H 1 1.604 0.004 A 12 GLN C C 13 173.259 0.004 A 12 GLN CA C 13 53.709 0.031 A 12 GLN CB C 13 32.694 0.044 A 12 GLN CG C 13 32.631 0.015 A 12 GLN N N 15 125.622 0.019 A 12 GLN NE2 N 15 108.536 0.007 A 13 CYS H H 1 9.331 0.007 A 13 CYS HA H 1 5.198 0.008 A 13 CYS HBy H 1 3.347 0.003 A 13 CYS HBx H 1 2.684 0.003 A 13 CYS C C 13 175.242 0.001 A 13 CYS CA C 13 53.687 0.054 A 13 CYS CB C 13 38.789 0.058 A 13 CYS N N 15 121.693 0.011 A 14 CYS H H 1 9.304 0.002 A 14 CYS HA H 1 5.188 0.004 A 14 CYS HBy H 1 2.912 0.004 A 14 CYS HBx H 1 2.532 0.002 A 14 CYS C C 13 173.301 0.01 A 14 CYS CA C 13 55.465 0.044 A 14 CYS CB C 13 46.622 0.044 A 14 CYS N N 15 127.070 0.009 A 15 GLN H H 1 8.161 0.004 A 15 GLN HA H 1 3.943 0.008 A 15 GLN HB2 H 1 2.167 0.003 A 15 GLN HE21 H 1 7.761 0.002 A 15 GLN HE22 H 1 6.856 0.002 A 15 GLN HGx H 1 2.566 0.007 A 15 GLN HGy H 1 2.713 0.005 A 15 GLN C C 13 176.427 0.004 A 15 GLN CA C 13 58.160 0.022 A 15 GLN CB C 13 29.249 0.053 A 15 GLN CG C 13 33.540 0.027 A 15 GLN N N 15 122.664 0.009 A 15 GLN NE2 N 15 114.156 0.007 A 16 ASN H H 1 8.094 0.004 A 16 ASN HA H 1 5.077 0.002 A 16 ASN HBy H 1 2.658 0.005 A 16 ASN HBx H 1 2.436 0.024 A 16 ASN HD21 H 1 8.128 0.02 A 16 ASN HD22 H 1 6.726 0.03 A 16 ASN C C 13 173.180 0.004 A 16 ASN CA C 13 52.234 0.039 A 16 ASN CB C 13 42.092 0.043 A 16 ASN N N 15 114.423 0.011 A 16 ASN ND2 N 15 114.301 0.023 A 17 VAL H H 1 8.396 0.002 A 17 VAL HA H 1 5.157 0.003 A 17 VAL HB H 1 1.913 0.003 A 17 VAL HGx% H 1 0.678 0.018 A 17 VAL HGy% H 1 0.720 0.003 A 17 VAL C C 13 175.537 0.004 A 17 VAL CA C 13 61.431 0.038 A 17 VAL CB C 13 33.748 0.063 A 17 VAL CGy C 13 22.304 0.035 A 17 VAL CGx C 13 21.618 0.048 A 17 VAL N N 15 124.253 0.018 A 18 VAL H H 1 8.896 0.003 A 18 VAL HA H 1 5.090 0.004 A 18 VAL HB H 1 2.287 0.006 A 18 VAL HGx% H 1 0.914 0.005 A 18 VAL HGy% H 1 0.577 0.003 A 18 VAL C C 13 172.878 . A 18 VAL CA C 13 57.255 0.019 A 18 VAL CB C 13 34.454 0.047 A 18 VAL CGy C 13 22.660 0.004 A 18 VAL CGx C 13 17.402 0.017 A 18 VAL N N 15 119.452 0.01 A 19 PRO HA H 1 4.752 0.017 A 19 PRO HBy H 1 2.537 0.003 A 19 PRO HBx H 1 2.037 0.005 A 19 PRO HDy H 1 3.972 0.003 A 19 PRO HDx H 1 3.653 0.002 A 19 PRO HGy H 1 2.230 0.013 A 19 PRO HGx H 1 2.027 0.01 A 19 PRO C C 13 179.968 . A 19 PRO CA C 13 62.715 0.037 A 19 PRO CB C 13 32.513 0.035 A 19 PRO CD C 13 50.689 0.029 A 19 PRO CG C 13 28.155 0.108 A 20 GLY H H 1 9.408 0.002 A 20 GLY HAx H 1 3.614 0.003 A 20 GLY HAy H 1 3.835 0.004 A 20 GLY C C 13 172.372 0.008 A 20 GLY CA C 13 48.160 0.028 A 20 GLY N N 15 115.813 0.012 A 21 ASP H H 1 7.899 0.004 A 21 ASP HA H 1 4.599 0.004 A 21 ASP HBy H 1 2.918 0.008 A 21 ASP HBx H 1 2.215 0.003 A 21 ASP C C 13 177.536 0.026 A 21 ASP CA C 13 52.002 0.049 A 21 ASP CB C 13 39.115 0.03 A 21 ASP N N 15 113.890 0.009 A 22 SER H H 1 7.609 0.002 A 22 SER HA H 1 4.545 0.014 A 22 SER HBx H 1 4.067 0.003 A 22 SER HBy H 1 4.409 0.006 A 22 SER C C 13 174.865 0.001 A 22 SER CA C 13 57.847 0.043 A 22 SER CB C 13 66.395 0.045 A 22 SER N N 15 114.053 0.013 A 23 ASP H H 1 9.022 0.003 A 23 ASP HA H 1 4.327 0.002 A 23 ASP HBy H 1 2.724 0.01 A 23 ASP HBx H 1 2.704 0.016 A 23 ASP C C 13 178.811 . A 23 ASP CA C 13 58.114 0.056 A 23 ASP CB C 13 39.580 0.042 A 23 ASP N N 15 123.245 0.011 A 24 LEU H H 1 8.485 0.003 A 24 LEU HA H 1 4.211 0.002 A 24 LEU HBx H 1 1.548 0.003 A 24 LEU HBy H 1 1.628 0.002 A 24 LEU HDx% H 1 0.952 0.005 A 24 LEU HDy% H 1 0.863 0.016 A 24 LEU HG H 1 1.553 0.003 A 24 LEU C C 13 178.613 0.019 A 24 LEU CA C 13 57.448 0.038 A 24 LEU CB C 13 41.801 0.047 A 24 LEU CDx C 13 23.586 0.049 A 24 LEU CDy C 13 24.259 0.098 A 24 LEU CG C 13 27.113 0.041 A 24 LEU N N 15 119.405 0.042 A 25 GLY H H 1 8.041 0.019 A 25 GLY HAx H 1 3.423 0.002 A 25 GLY HAy H 1 3.969 0.006 A 25 GLY C C 13 174.827 0.002 A 25 GLY CA C 13 47.488 0.03 A 25 GLY N N 15 107.429 0.008 A 26 THR H H 1 8.494 0.013 A 26 THR HA H 1 3.957 0.004 A 26 THR HB H 1 4.225 0.006 A 26 THR HG2% H 1 1.276 0.014 A 26 THR C C 13 176.569 0.013 A 26 THR CA C 13 66.421 0.031 A 26 THR CB C 13 69.205 0.025 A 26 THR CG2 C 13 21.403 0.088 A 26 THR N N 15 115.203 0.014 A 27 LEU H H 1 7.285 0.003 A 27 LEU HA H 1 4.159 0.01 A 27 LEU HBx H 1 1.776 0.001 A 27 LEU HBy H 1 1.848 0.001 A 27 LEU HDx% H 1 0.930 0.004 A 27 LEU HDy% H 1 0.894 0.018 A 27 LEU HG H 1 1.765 0.005 A 27 LEU C C 13 179.693 0.005 A 27 LEU CA C 13 58.291 0.031 A 27 LEU CB C 13 42.180 0.046 A 27 LEU CDy C 13 24.942 0.024 A 27 LEU CDx C 13 24.167 0.079 A 27 LEU CG C 13 26.710 0.027 A 27 LEU N N 15 122.243 0.015 A 28 LEU H H 1 8.060 0.004 A 28 LEU HA H 1 4.077 0.003 A 28 LEU HBy H 1 1.873 0.026 A 28 LEU HBx H 1 1.354 0.002 A 28 LEU HDx% H 1 0.729 0.005 A 28 LEU HDy% H 1 0.800 0.005 A 28 LEU HG H 1 1.794 0.02 A 28 LEU C C 13 179.358 0.02 A 28 LEU CA C 13 57.851 0.065 A 28 LEU CB C 13 42.185 0.025 A 28 LEU CDy C 13 25.109 0.052 A 28 LEU CDx C 13 22.786 0.018 A 28 LEU CG C 13 26.510 0.091 A 28 LEU N N 15 120.092 0.038 A 29 LEU H H 1 8.304 0.003 A 29 LEU HA H 1 3.941 0.003 A 29 LEU HBy H 1 1.914 0.002 A 29 LEU HBx H 1 1.791 0.008 A 29 LEU HDx% H 1 0.723 0.003 A 29 LEU HDy% H 1 0.921 0.009 A 29 LEU HG H 1 1.917 0.006 A 29 LEU C C 13 179.834 0.004 A 29 LEU CA C 13 58.177 0.049 A 29 LEU CB C 13 40.334 0.04 A 29 LEU CDx C 13 22.570 0.053 A 29 LEU CDy C 13 26.387 0.077 A 29 LEU CG C 13 26.505 0.05 A 29 LEU N N 15 117.567 0.011 A 30 ASP H H 1 8.305 0.003 A 30 ASP HA H 1 4.489 0.004 A 30 ASP HBx H 1 2.692 0.006 A 30 ASP HBy H 1 2.908 0.004 A 30 ASP C C 13 179.777 0.013 A 30 ASP CA C 13 57.181 0.044 A 30 ASP CB C 13 40.792 0.035 A 30 ASP N N 15 119.393 0.008 A 31 GLU H H 1 8.018 0.004 A 31 GLU HA H 1 4.047 0.004 A 31 GLU HBx H 1 2.132 0.005 A 31 GLU HBy H 1 2.255 0.002 A 31 GLU HGy H 1 2.445 0.006 A 31 GLU HGx H 1 2.303 0.004 A 31 GLU C C 13 178.627 0.003 A 31 GLU CA C 13 59.130 0.031 A 31 GLU CB C 13 29.179 0.041 A 31 GLU CG C 13 35.853 0.033 A 31 GLU N N 15 120.090 0.011 A 32 LEU H H 1 7.602 0.003 A 32 LEU HA H 1 4.315 0.003 A 32 LEU HBy H 1 1.767 0.007 A 32 LEU HBx H 1 1.597 0.003 A 32 LEU HDx% H 1 0.898 0.008 A 32 LEU HDy% H 1 0.863 0.007 A 32 LEU HG H 1 1.898 0.01 A 32 LEU C C 13 177.636 0.004 A 32 LEU CA C 13 55.069 0.053 A 32 LEU CB C 13 43.423 0.044 A 32 LEU CDx C 13 22.481 0.015 A 32 LEU CDy C 13 26.115 0.021 A 32 LEU CG C 13 26.752 0.028 A 32 LEU N N 15 116.639 0.015 A 33 GLY H H 1 8.038 0.004 A 33 GLY HAy H 1 3.947 0.004 A 33 GLY HAx H 1 3.938 0.009 A 33 GLY C C 13 174.719 0.007 A 33 GLY CA C 13 46.457 0.043 A 33 GLY N N 15 110.010 0.008 A 34 ILE H H 1 7.726 0.002 A 34 ILE HA H 1 4.195 0.003 A 34 ILE HB H 1 1.600 0.007 A 34 ILE HD1% H 1 0.796 0.017 A 34 ILE HG1y H 1 1.400 0.016 A 34 ILE HG1x H 1 0.968 0.007 A 34 ILE HG2% H 1 0.736 0.003 A 34 ILE C C 13 174.420 0.011 A 34 ILE CA C 13 60.389 0.036 A 34 ILE CB C 13 40.549 0.041 A 34 ILE CD1 C 13 13.907 0.031 A 34 ILE CG1 C 13 26.924 0.04 A 34 ILE CG2 C 13 17.354 0.053 A 34 ILE N N 15 119.259 0.009 A 35 VAL H H 1 8.289 0.001 A 35 VAL HA H 1 4.130 0.002 A 35 VAL HB H 1 1.886 0.002 A 35 VAL HGx% H 1 0.846 0.007 A 35 VAL HGy% H 1 0.832 0.008 A 35 VAL C C 13 175.939 0.008 A 35 VAL CA C 13 61.108 0.036 A 35 VAL CB C 13 33.199 0.046 A 35 VAL CGx C 13 20.428 0.024 A 35 VAL CGy C 13 20.812 0.091 A 35 VAL N N 15 126.434 0.008 A 36 LEU H H 1 8.641 0.003 A 36 LEU HA H 1 4.455 0.003 A 36 LEU HBx H 1 1.265 0.002 A 36 LEU HBy H 1 1.409 0.004 A 36 LEU HDx% H 1 0.772 0.008 A 36 LEU HDy% H 1 0.828 0.012 A 36 LEU HG H 1 1.600 0.002 A 36 LEU C C 13 176.939 0.004 A 36 LEU CA C 13 53.326 0.031 A 36 LEU CB C 13 42.650 0.032 A 36 LEU CDx C 13 22.861 0.021 A 36 LEU CDy C 13 26.829 0.071 A 36 LEU CG C 13 26.524 0.035 A 36 LEU N N 15 126.981 0.022 A 37 GLU H H 1 8.742 0.002 A 37 GLU HA H 1 4.023 0.001 A 37 GLU HB2 H 1 1.988 0.004 A 37 GLU HGy H 1 2.314 0.014 A 37 GLU HGx H 1 2.250 0.004 A 37 GLU C C 13 176.706 0.03 A 37 GLU CA C 13 58.695 0.043 A 37 GLU CB C 13 29.635 0.049 A 37 GLU CG C 13 36.434 0.029 A 37 GLU N N 15 122.987 0.012 A 38 ASP H H 1 7.678 0.003 A 38 ASP HA H 1 5.104 0.002 A 38 ASP HBy H 1 2.884 0.003 A 38 ASP HBx H 1 2.535 0.003 A 38 ASP C C 13 174.580 . A 38 ASP CA C 13 49.645 0.035 A 38 ASP CB C 13 41.199 0.045 A 38 ASP N N 15 114.545 0.014 A 39 PRO HA H 1 4.377 0.007 A 39 PRO HBy H 1 2.191 0.021 A 39 PRO HBx H 1 1.988 0.006 A 39 PRO HDy H 1 3.915 0.009 A 39 PRO HDx H 1 3.609 0.02 A 39 PRO HGx H 1 1.904 0.004 A 39 PRO HGy H 1 2.055 0.011 A 39 PRO C C 13 174.231 . A 39 PRO CA C 13 63.301 0.06 A 39 PRO CB C 13 32.032 0.054 A 39 PRO CD C 13 50.603 0.042 A 39 PRO CG C 13 26.550 0.018 A 40 THR H H 1 7.796 0.003 A 40 THR HA H 1 4.199 0.004 A 40 THR HB H 1 4.331 0.013 A 40 THR HG2% H 1 1.238 0.013 A 40 THR C C 13 176.028 0.01 A 40 THR CA C 13 62.690 0.08 A 40 THR CB C 13 69.529 0.057 A 40 THR CG2 C 13 21.582 0.014 A 40 THR N N 15 106.084 0.015 A 41 VAL H H 1 6.817 0.004 A 41 VAL HA H 1 4.080 0.009 A 41 VAL HB H 1 2.313 0.004 A 41 VAL HGx% H 1 1.057 0.013 A 41 VAL HGy% H 1 0.950 0.003 A 41 VAL C C 13 173.905 0.005 A 41 VAL CA C 13 61.219 0.039 A 41 VAL CB C 13 32.733 0.037 A 41 VAL CGy C 13 21.313 0.066 A 41 VAL CGx C 13 18.367 0.013 A 41 VAL N N 15 114.413 0.012 A 42 LEU H H 1 8.461 0.002 A 42 LEU HA H 1 4.609 0.009 A 42 LEU HBy H 1 2.110 0.004 A 42 LEU HBx H 1 0.869 0.006 A 42 LEU HDx% H 1 0.822 0.006 A 42 LEU HDy% H 1 0.665 0.012 A 42 LEU HG H 1 1.772 0.005 A 42 LEU C C 13 177.854 0.002 A 42 LEU CA C 13 54.434 0.052 A 42 LEU CB C 13 41.440 0.032 A 42 LEU CDy C 13 24.487 0.036 A 42 LEU CDx C 13 22.235 0.034 A 42 LEU CG C 13 26.640 0.045 A 42 LEU N N 15 118.477 0.049 A 43 ILE H H 1 9.299 0.004 A 43 ILE HA H 1 4.878 0.003 A 43 ILE HB H 1 2.026 0.003 A 43 ILE HD1% H 1 0.795 0.009 A 43 ILE HG1y H 1 1.407 0.002 A 43 ILE HG1x H 1 1.212 0.003 A 43 ILE HG2% H 1 0.876 0.014 A 43 ILE C C 13 174.139 0.003 A 43 ILE CA C 13 58.585 0.045 A 43 ILE CB C 13 40.029 0.026 A 43 ILE CD1 C 13 14.503 0.07 A 43 ILE CG1 C 13 26.353 0.021 A 43 ILE CG2 C 13 18.666 0.048 A 43 ILE N N 15 121.491 0.03 A 44 GLY H H 1 9.473 0.002 A 44 GLY HAx H 1 3.425 0.003 A 44 GLY HAy H 1 5.173 0.015 A 44 GLY C C 13 171.227 0.007 A 44 GLY CA C 13 44.547 0.035 A 44 GLY N N 15 110.662 0.021 A 45 ASP H H 1 9.047 0.012 A 45 ASP HA H 1 5.180 0.004 A 45 ASP HB2 H 1 2.463 0.003 A 45 ASP C C 13 175.872 0.002 A 45 ASP CA C 13 52.070 0.037 A 45 ASP CB C 13 45.458 0.033 A 45 ASP N N 15 123.900 0.012 A 46 GLY H H 1 8.251 0.003 A 46 GLY HAy H 1 3.906 0.005 A 46 GLY HAx H 1 3.883 0.014 A 46 GLY C C 13 175.956 . A 46 GLY CA C 13 48.033 0.044 A 46 GLY N N 15 114.913 0.011 A 47 CYS H H 1 8.653 0.004 A 47 CYS HA H 1 5.330 0.002 A 47 CYS HBx H 1 2.857 0.02 A 47 CYS HBy H 1 2.897 0.011 A 47 CYS C C 13 173.729 0.001 A 47 CYS CA C 13 56.159 0.022 A 47 CYS CB C 13 45.334 0.04 A 47 CYS N N 15 119.293 0.012 A 48 ASP H H 1 8.416 0.002 A 48 ASP HA H 1 5.236 0.003 A 48 ASP HBx H 1 2.468 0.004 A 48 ASP HBy H 1 2.695 0.004 A 48 ASP C C 13 173.493 . A 48 ASP CA C 13 51.502 0.036 A 48 ASP CB C 13 44.083 0.041 A 48 ASP N N 15 122.950 0.012 A 49 PRO HA H 1 4.509 0.026 A 49 PRO HBy H 1 2.263 0.005 A 49 PRO HBx H 1 1.834 0.002 A 49 PRO HDy H 1 3.885 0.003 A 49 PRO HDx H 1 3.800 0.01 A 49 PRO HGx H 1 2.033 0.012 A 49 PRO HGy H 1 2.057 0.024 A 49 PRO C C 13 177.026 0.008 A 49 PRO CA C 13 62.852 0.161 A 49 PRO CB C 13 32.167 0.034 A 49 PRO CD C 13 50.605 0.017 A 49 PRO CG C 13 27.250 0.035 A 50 ILE H H 1 7.991 0.013 A 50 ILE HA H 1 4.339 0.003 A 50 ILE HB H 1 1.705 0.003 A 50 ILE HD1% H 1 0.716 0.003 A 50 ILE HG1x H 1 1.060 0.002 A 50 ILE HG1y H 1 1.399 0.004 A 50 ILE HG2% H 1 0.853 0.01 A 50 ILE C C 13 176.168 0.01 A 50 ILE CA C 13 60.905 0.039 A 50 ILE CB C 13 38.459 0.056 A 50 ILE CD1 C 13 13.393 0.03 A 50 ILE CG1 C 13 27.426 0.027 A 50 ILE CG2 C 13 17.693 0.018 A 50 ILE N N 15 121.217 0.012 A 51 THR H H 1 8.425 0.002 A 51 THR HA H 1 4.412 0.009 A 51 THR HB H 1 4.317 0.018 A 51 THR HG2% H 1 1.192 0.009 A 51 THR C C 13 174.675 0.003 A 51 THR CA C 13 62.093 0.06 A 51 THR CB C 13 69.578 0.036 A 51 THR CG2 C 13 21.656 0.017 A 51 THR N N 15 118.019 0.019 A 52 VAL H H 1 7.804 0.005 A 52 VAL HA H 1 4.093 0.003 A 52 VAL HB H 1 2.050 0.003 A 52 VAL HGx% H 1 0.893 0.008 A 52 VAL HGy% H 1 0.891 0.002 A 52 VAL C C 13 175.431 0.001 A 52 VAL CA C 13 62.212 0.048 A 52 VAL CB C 13 32.738 0.054 A 52 VAL CGx C 13 20.361 0.078 A 52 VAL CGy C 13 21.082 0.089 A 52 VAL N N 15 120.828 0.013 A 53 ALA H H 1 8.268 0.003 A 53 ALA HA H 1 4.176 0.024 A 53 ALA HB% H 1 1.269 0.002 A 53 ALA C C 13 177.939 0.005 A 53 ALA CA C 13 52.448 0.044 A 53 ALA CB C 13 18.901 0.067 A 53 ALA N N 15 126.532 0.013 A 54 GLY H H 1 8.116 0.004 A 54 GLY HA2 H 1 3.875 0.017 A 54 GLY C C 13 174.013 0.002 A 54 GLY CA C 13 45.626 0.06 A 54 GLY N N 15 108.054 0.005 A 55 SER H H 1 7.936 0.002 A 55 SER HA H 1 4.529 0.002 A 55 SER HBy H 1 3.917 0.002 A 55 SER HBx H 1 3.833 0.002 A 55 SER C C 13 175.134 0.006 A 55 SER CA C 13 57.761 0.026 A 55 SER CB C 13 64.101 0.057 A 55 SER N N 15 114.759 0.011 A 56 SER H H 1 8.547 0.004 A 56 SER HA H 1 4.274 0.016 A 56 SER HBy H 1 3.913 0.023 A 56 SER HBx H 1 3.821 0.002 A 56 SER C C 13 174.606 0.026 A 56 SER CA C 13 59.622 0.024 A 56 SER CB C 13 63.236 0.03 A 56 SER N N 15 118.505 0.029 A 57 ASP H H 1 8.195 0.002 A 57 ASP HA H 1 4.555 0.002 A 57 ASP HBx H 1 2.620 0.008 A 57 ASP HBy H 1 2.648 0.025 A 57 ASP C C 13 175.947 0.001 A 57 ASP CA C 13 54.371 0.037 A 57 ASP CB C 13 40.640 0.061 A 57 ASP N N 15 120.801 0.009 A 58 ALA H H 1 7.725 0.002 A 58 ALA HA H 1 4.221 0.007 A 58 ALA HB% H 1 1.408 0.006 A 58 ALA C C 13 177.011 0.005 A 58 ALA CA C 13 53.078 0.034 A 58 ALA CB C 13 19.763 0.059 A 58 ALA N N 15 121.527 0.008 A 59 CYS H H 1 8.135 0.003 A 59 CYS HA H 1 5.038 0.002 A 59 CYS HBy H 1 2.882 0.004 A 59 CYS HBx H 1 2.874 0.005 A 59 CYS C C 13 173.768 0.004 A 59 CYS CA C 13 54.074 0.048 A 59 CYS CB C 13 37.668 0.03 A 59 CYS N N 15 114.986 0.008 A 60 SER H H 1 9.166 0.01 A 60 SER HA H 1 4.607 0.002 A 60 SER HBy H 1 4.048 0.004 A 60 SER HBx H 1 3.925 0.004 A 60 SER C C 13 172.922 0.006 A 60 SER CA C 13 58.534 0.043 A 60 SER CB C 13 63.219 0.014 A 60 SER N N 15 125.228 0.027 A 61 ALA H H 1 7.188 0.003 A 61 ALA HA H 1 4.736 0.039 A 61 ALA HB% H 1 1.343 0.003 A 61 ALA C C 13 175.267 0.007 A 61 ALA CA C 13 51.169 0.041 A 61 ALA CB C 13 18.750 0.059 A 61 ALA N N 15 127.935 0.016 A 62 THR H H 1 8.022 0.001 A 62 THR HA H 1 4.479 0.003 A 62 THR HB H 1 3.970 0.003 A 62 THR HG2% H 1 1.093 0.003 A 62 THR C C 13 172.466 0.009 A 62 THR CA C 13 62.790 0.031 A 62 THR CB C 13 69.801 0.038 A 62 THR CG2 C 13 21.492 0.016 A 62 THR N N 15 119.959 0.012 A 63 ALA H H 1 8.748 0.002 A 63 ALA HA H 1 5.297 0.003 A 63 ALA HB% H 1 1.210 0.002 A 63 ALA C C 13 177.177 0.003 A 63 ALA CA C 13 51.255 0.034 A 63 ALA CB C 13 19.114 0.055 A 63 ALA N N 15 132.963 0.009 A 64 VAL H H 1 9.093 0.021 A 64 VAL HA H 1 5.002 0.002 A 64 VAL HB H 1 1.747 0.002 A 64 VAL HGx% H 1 0.619 0.01 A 64 VAL HGy% H 1 0.753 0.006 A 64 VAL C C 13 173.341 0.002 A 64 VAL CA C 13 58.486 0.051 A 64 VAL CB C 13 36.745 0.051 A 64 VAL CGy C 13 23.205 0.031 A 64 VAL CGx C 13 20.549 0.068 A 64 VAL N N 15 115.514 0.014 A 65 CYS H H 1 9.108 0.004 A 65 CYS HA H 1 5.150 0.002 A 65 CYS HBy H 1 2.971 0.005 A 65 CYS HBx H 1 2.750 0.006 A 65 CYS C C 13 175.793 0.003 A 65 CYS CA C 13 53.921 0.041 A 65 CYS CB C 13 39.623 0.039 A 65 CYS N N 15 119.614 0.006 A 66 CYS H H 1 9.416 0.002 A 66 CYS HA H 1 5.519 0.002 A 66 CYS HBy H 1 3.055 0.003 A 66 CYS HBx H 1 2.894 0.003 A 66 CYS C C 13 173.989 0.014 A 66 CYS CA C 13 54.444 0.038 A 66 CYS CB C 13 46.842 0.047 A 66 CYS N N 15 127.686 0.015 A 67 SER H H 1 8.437 0.012 A 67 SER HA H 1 4.409 0.003 A 67 SER HBy H 1 4.039 0.001 A 67 SER HBx H 1 4.011 0.023 A 67 SER C C 13 174.260 0.029 A 67 SER CA C 13 59.954 0.03 A 67 SER CB C 13 63.909 0.044 A 67 SER N N 15 118.914 0.026 A 68 ASP H H 1 8.389 0.001 A 68 ASP HA H 1 4.779 0.004 A 68 ASP HBx H 1 2.564 0.01 A 68 ASP HBy H 1 2.638 0.012 A 68 ASP C C 13 175.577 0.001 A 68 ASP CA C 13 54.355 0.029 A 68 ASP CB C 13 42.015 0.047 A 68 ASP N N 15 121.573 0.014 A 69 ASN H H 1 8.504 0.002 A 69 ASN HA H 1 4.809 0.004 A 69 ASN HBy H 1 2.740 0.016 A 69 ASN HBx H 1 2.670 0.015 A 69 ASN HD21 H 1 7.452 0.002 A 69 ASN HD22 H 1 6.819 0.004 A 69 ASN C C 13 174.580 0.003 A 69 ASN CA C 13 53.402 0.049 A 69 ASN CB C 13 39.938 0.056 A 69 ASN N N 15 119.104 0.023 A 69 ASN ND2 N 15 112.575 0.003 A 70 ASN H H 1 8.536 0.003 A 70 ASN HA H 1 4.634 0.023 A 70 ASN HBx H 1 2.738 0.003 A 70 ASN HBy H 1 2.934 0.005 A 70 ASN HD21 H 1 7.574 0.005 A 70 ASN HD22 H 1 6.853 0.0 A 70 ASN C C 13 175.333 0.007 A 70 ASN CA C 13 53.595 0.073 A 70 ASN CB C 13 39.090 0.066 A 70 ASN N N 15 118.986 0.014 A 70 ASN ND2 N 15 112.168 0.011 A 71 VAL H H 1 8.430 0.007 A 71 VAL HA H 1 4.091 0.014 A 71 VAL HB H 1 2.082 0.004 A 71 VAL HG1% H 1 0.893 0.026 A 71 VAL C C 13 176.556 0.001 A 71 VAL CA C 13 63.446 0.017 A 71 VAL CB C 13 32.106 0.063 A 71 VAL CG1 C 13 21.074 0.084 A 71 VAL N N 15 120.807 0.016 A 72 SER H H 1 8.489 0.004 A 72 SER HA H 1 4.440 0.001 A 72 SER HB2 H 1 3.927 0.003 A 72 SER C C 13 174.538 0.008 A 72 SER CA C 13 58.258 0.044 A 72 SER CB C 13 63.827 0.069 A 72 SER N N 15 118.429 0.041 A 73 GLY H H 1 8.325 0.002 A 73 GLY HAx H 1 3.890 0.009 A 73 GLY HAy H 1 4.109 0.004 A 73 GLY C C 13 174.453 0.011 A 73 GLY CA C 13 45.803 0.057 A 73 GLY N N 15 110.945 0.009 A 74 VAL H H 1 8.028 0.002 A 74 VAL HA H 1 4.455 0.027 A 74 VAL HB H 1 2.266 0.011 A 74 VAL HGx% H 1 0.994 0.007 A 74 VAL HGy% H 1 1.010 0.029 A 74 VAL C C 13 175.344 0.003 A 74 VAL CA C 13 62.870 0.039 A 74 VAL CB C 13 33.421 0.06 A 74 VAL CGx C 13 19.876 0.019 A 74 VAL CGy C 13 21.505 0.072 A 74 VAL N N 15 116.353 0.009 A 75 ILE H H 1 7.547 0.003 A 75 ILE HA H 1 4.986 0.003 A 75 ILE HB H 1 1.807 0.002 A 75 ILE HD1% H 1 0.827 0.023 A 75 ILE HG1x H 1 1.183 0.002 A 75 ILE HG1y H 1 1.491 0.015 A 75 ILE HG2% H 1 0.848 0.007 A 75 ILE C C 13 173.873 0.004 A 75 ILE CA C 13 59.162 0.044 A 75 ILE CB C 13 40.540 0.04 A 75 ILE CD1 C 13 13.986 0.035 A 75 ILE CG1 C 13 27.210 0.023 A 75 ILE CG2 C 13 17.757 0.072 A 75 ILE N N 15 118.768 0.013 A 76 ALA H H 1 8.758 0.003 A 76 ALA HA H 1 4.861 0.003 A 76 ALA HB% H 1 1.346 0.006 A 76 ALA C C 13 176.302 0.001 A 76 ALA CA C 13 50.585 0.054 A 76 ALA CB C 13 22.087 0.033 A 76 ALA N N 15 128.465 0.009 A 77 ILE H H 1 8.754 0.003 A 77 ILE HA H 1 4.448 0.002 A 77 ILE HB H 1 1.717 0.004 A 77 ILE HD1% H 1 0.781 0.009 A 77 ILE HG1y H 1 1.464 0.004 A 77 ILE HG1x H 1 0.986 0.004 A 77 ILE HG2% H 1 0.851 0.015 A 77 ILE C C 13 175.671 0.005 A 77 ILE CA C 13 60.678 0.053 A 77 ILE CB C 13 40.881 0.038 A 77 ILE CD1 C 13 13.416 0.016 A 77 ILE CG1 C 13 27.537 0.052 A 77 ILE CG2 C 13 18.188 0.049 A 77 ILE N N 15 120.533 0.012 A 78 GLY H H 1 7.802 0.003 A 78 GLY HAy H 1 4.213 0.015 A 78 GLY HAx H 1 3.758 0.007 A 78 GLY C C 13 175.027 0.002 A 78 GLY CA C 13 47.103 0.031 A 78 GLY N N 15 114.254 0.012 A 79 CYS H H 1 8.029 0.002 A 79 CYS HA H 1 5.164 0.002 A 79 CYS HBx H 1 2.409 0.013 A 79 CYS HBy H 1 2.422 0.008 A 79 CYS C C 13 173.289 0.003 A 79 CYS CA C 13 55.825 0.029 A 79 CYS CB C 13 45.371 0.033 A 79 CYS N N 15 118.735 0.012 A 80 LEU H H 1 8.536 0.003 A 80 LEU HA H 1 4.959 0.002 A 80 LEU HBx H 1 1.579 0.019 A 80 LEU HBy H 1 1.593 0.009 A 80 LEU HDx% H 1 0.969 0.014 A 80 LEU HDy% H 1 0.943 0.015 A 80 LEU HG H 1 1.605 0.006 A 80 LEU C C 13 174.221 . A 80 LEU CA C 13 51.889 0.058 A 80 LEU CB C 13 44.882 0.027 A 80 LEU CDx C 13 23.547 0.004 A 80 LEU CDy C 13 25.291 0.005 A 80 LEU CG C 13 26.885 0.02 A 80 LEU N N 15 122.134 0.011 A 81 PRO HA H 1 4.699 0.003 A 81 PRO HBy H 1 2.288 0.009 A 81 PRO HBx H 1 1.900 0.003 A 81 PRO HDy H 1 3.664 0.009 A 81 PRO HDx H 1 3.627 0.011 A 81 PRO HGy H 1 2.111 0.005 A 81 PRO HGx H 1 1.809 0.01 A 81 PRO C C 13 176.176 0.002 A 81 PRO CA C 13 63.260 0.059 A 81 PRO CB C 13 32.225 0.054 A 81 PRO CD C 13 50.778 0.03 A 81 PRO CG C 13 27.597 0.043 A 82 VAL H H 1 7.823 0.005 A 82 VAL HA H 1 4.440 0.005 A 82 VAL HB H 1 1.929 0.002 A 82 VAL HGx% H 1 0.690 0.006 A 82 VAL HGy% H 1 0.779 0.006 A 82 VAL C C 13 174.909 0.004 A 82 VAL CA C 13 60.561 0.054 A 82 VAL CB C 13 34.287 0.055 A 82 VAL CGx C 13 20.204 0.045 A 82 VAL CGy C 13 21.591 0.023 A 82 VAL N N 15 118.607 0.011 A 83 THR H H 1 8.253 0.005 A 83 THR HA H 1 4.413 0.006 A 83 THR HB H 1 4.129 0.001 A 83 THR HG2% H 1 1.226 0.01 A 83 THR C C 13 173.457 0.01 A 83 THR CA C 13 61.549 0.054 A 83 THR CB C 13 70.001 0.02 A 83 THR CG2 C 13 21.529 0.035 A 83 THR N N 15 118.650 0.005 A 84 LEU H H 1 8.135 0.002 A 84 LEU HA H 1 4.169 0.002 A 84 LEU HBx H 1 1.542 0.016 A 84 LEU HBy H 1 1.562 0.003 A 84 LEU HDx% H 1 0.811 0.007 A 84 LEU HDy% H 1 0.706 0.002 A 84 LEU HG H 1 1.524 0.007 A 84 LEU C C 13 169.159 . A 84 LEU CA C 13 56.501 0.054 A 84 LEU CB C 13 43.032 0.04 A 84 LEU CDy C 13 25.512 0.085 A 84 LEU CDx C 13 23.331 0.005 A 84 LEU CG C 13 27.167 0.032 A 84 LEU N N 15 131.533 0.01 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 47 CYS HA A 47 CYS HBx 1.0 1.777 3.549 2 1 A 47 CYS HA A 47 CYS HBy 1.0 1.777 3.549 3 2 A 49 PRO HBy A 49 PRO HGy 1.0 1.595 2.805 4 2 A 49 PRO HBy A 49 PRO HGx 1.0 1.595 2.805 5 3 A 49 PRO HGy A 49 PRO HDx 1.0 1.698 3.194 6 3 A 49 PRO HGx A 49 PRO HDx 1.0 1.698 3.194 7 4 A 67 SER HA A 67 SER HBx 1.0 1.676 3.104 8 4 A 67 SER HA A 67 SER HBy 1.0 1.676 3.104 9 5 A 84 LEU HDx% A 84 LEU HBx 1.0 1.707 3.231 10 5 A 84 LEU HBy A 84 LEU HDx% 1.0 1.707 3.231 11 6 A 57 ASP HA A 57 ASP HBy 1.0 1.679 3.115 12 6 A 57 ASP HBx A 57 ASP HA 1.0 1.679 3.115 13 7 A 35 VAL HGy% A 35 VAL HA 1.0 1.501 2.505 14 7 A 35 VAL HA A 35 VAL HGx% 1.0 1.501 2.505 15 8 A 7 SER HA A 7 SER HBx 1.0 1.604 2.836 16 8 A 7 SER HA A 7 SER HBy 1.0 1.604 2.836 17 9 A 49 PRO HGx A 49 PRO HDy 1.0 1.631 2.931 18 9 A 49 PRO HGy A 49 PRO HDy 1.0 1.631 2.931 19 10 A 24 LEU HA A 24 LEU HG 1.0 1.632 2.936 20 10 A 24 LEU HA A 24 LEU HBx 1.0 1.632 2.936 21 11 A 79 CYS HA A 79 CYS HBy 1.0 1.700 3.202 22 11 A 79 CYS HBx A 79 CYS HA 1.0 1.700 3.202 23 12 A 79 CYS HBy A 64 VAL HGy% 1.0 1.725 3.311 24 12 A 79 CYS HBx A 64 VAL HGy% 1.0 1.725 3.311 25 13 A 47 CYS H A 46 GLY HAx 1.0 1.823 3.797 26 13 A 46 GLY HAy A 47 CYS H 1.0 1.823 3.797 27 14 A 27 LEU HDx% A 27 LEU HBy 1.0 1.715 3.263 28 14 A 27 LEU HBy A 27 LEU HDy% 1.0 1.715 3.263 29 15 A 27 LEU HBy A 27 LEU HA 1.0 1.622 2.900 30 15 A 27 LEU HA A 27 LEU HG 1.0 1.622 2.900 31 16 A 35 VAL HGx% A 35 VAL HB 1.0 1.516 2.546 32 16 A 35 VAL HGy% A 35 VAL HB 1.0 1.516 2.546 33 17 A 49 PRO HGy A 49 PRO HBx 1.0 1.564 2.702 34 17 A 49 PRO HGx A 49 PRO HBx 1.0 1.564 2.702 35 18 A 74 VAL HGx% A 74 VAL HB 1.0 1.549 2.653 36 18 A 74 VAL HB A 74 VAL HGy% 1.0 1.549 2.653 37 19 A 80 LEU HDx% A 80 LEU HG 1.0 1.460 2.382 38 19 A 80 LEU HBx A 80 LEU HDx% 1.0 1.460 2.382 39 20 A 84 LEU HDx% A 84 LEU HG 1.0 1.529 2.589 40 20 A 84 LEU HDx% A 84 LEU HBx 1.0 1.529 2.589 41 21 A 29 LEU HG A 29 LEU HDy% 1.0 1.424 2.282 42 21 A 29 LEU HDy% A 29 LEU HBx 1.0 1.424 2.282 43 22 A 80 LEU HBy A 80 LEU HDy% 1.0 1.420 2.272 44 22 A 80 LEU HG A 80 LEU HDy% 1.0 1.420 2.272 45 23 A 3 TRP HA A 3 TRP H 1.0 1.807 3.705 46 23 A 3 TRP HA A 4 GLY H 1.0 1.807 3.705 47 24 A 49 PRO HGy A 49 PRO HA 1.0 1.726 3.312 48 24 A 49 PRO HGx A 49 PRO HA 1.0 1.726 3.312 49 25 A 59 CYS H A 59 CYS HBx 1.0 1.685 3.139 50 25 A 59 CYS HBy A 59 CYS H 1.0 1.685 3.139 51 26 A 7 SER HBy A 8 THR H 1.0 1.992 5.492 52 26 A 7 SER HBx A 8 THR H 1.0 1.992 5.492 53 27 A 4 GLY H A 4 GLY HAx 1.0 1.769 3.513 54 27 A 4 GLY H A 4 GLY HAy 1.0 1.769 3.513 55 28 A 84 LEU HG A 84 LEU H 1.0 1.635 2.947 56 28 A 84 LEU HBx A 84 LEU H 1.0 1.635 2.947 57 29 A 79 CYS HBy A 79 CYS H 1.0 1.716 3.270 58 29 A 79 CYS HBx A 79 CYS H 1.0 1.716 3.270 59 30 A 29 LEU H A 29 LEU HBy 1.0 1.764 3.490 60 30 A 28 LEU HG A 29 LEU H 1.0 1.764 3.490 61 31 A 30 ASP H A 29 LEU HA 1.0 1.860 4.024 62 31 A 26 THR HA A 30 ASP H 1.0 1.860 4.024 63 32 A 14 CYS H A 14 CYS HA 1.0 1.549 2.651 64 32 A 13 CYS HA A 14 CYS H 1.0 1.549 2.651 65 33 A 79 CYS HBy A 80 LEU H 1.0 1.816 3.756 66 33 A 79 CYS HBx A 80 LEU H 1.0 1.816 3.756 67 34 A 80 LEU HBy A 80 LEU H 1.0 1.700 3.202 68 34 A 80 LEU HG A 80 LEU H 1.0 1.700 3.202 69 35 A 4 GLY HAy A 5 GLN H 1.0 1.741 3.381 70 35 A 4 GLY HAx A 5 GLN H 1.0 1.741 3.381 71 36 A 57 ASP HBy A 58 ALA H 1.0 1.874 4.116 72 36 A 57 ASP HBx A 58 ALA H 1.0 1.874 4.116 73 37 A 69 ASN H A 69 ASN HBy 1.0 1.767 3.503 74 37 A 69 ASN HBx A 69 ASN H 1.0 1.767 3.503 75 38 A 63 ALA H A 63 ALA HB% 1.0 1.551 2.659 76 39 A 38 ASP HBy A 38 ASP HBx 1.0 1.413 2.253 77 40 A 44 GLY HAy A 17 VAL HGy% 1.0 1.797 3.651 78 41 A 44 GLY HAy A 44 GLY HAx 1.0 1.427 2.293 79 42 A 79 CYS HA A 66 CYS HA 1.0 1.556 2.676 80 43 A 3 TRP HE3 A 3 TRP HBx 1.0 1.860 4.022 81 44 A 3 TRP HD1 A 3 TRP HBy 1.0 1.900 4.316 82 45 A 3 TRP HE3 A 3 TRP HBy 1.0 1.865 4.057 83 46 A 3 TRP HBx A 3 TRP HD1 1.0 1.914 4.432 84 47 A 22 SER HA A 22 SER HBx 1.0 1.675 3.103 85 48 A 47 CYS HBx A 12 GLN HBy 1.0 1.768 3.508 86 49 A 47 CYS HBx A 47 CYS H 1.0 1.734 3.352 87 50 A 58 ALA HB% A 50 ILE HG2% 1.0 1.654 3.016 88 51 A 58 ALA HB% A 50 ILE HD1% 1.0 1.738 3.368 89 52 A 58 ALA HB% A 58 ALA HA 1.0 1.507 2.523 90 53 A 58 ALA H A 58 ALA HB% 1.0 1.561 2.691 91 54 A 81 PRO HBx A 64 VAL HGx% 1.0 1.888 4.218 92 55 A 81 PRO HBx A 82 VAL H 1.0 1.880 4.160 93 56 A 29 LEU HA A 32 LEU HBy 1.0 1.829 3.833 94 57 A 75 ILE HB A 75 ILE HG1x 1.0 1.819 3.771 95 58 A 75 ILE HG1x A 75 ILE HA 1.0 1.859 4.015 96 59 A 14 CYS HBx A 14 CYS HBy 1.0 1.432 2.304 97 60 A 66 CYS HBx A 66 CYS HBy 1.0 1.445 2.339 98 61 A 66 CYS HBy A 67 SER H 1.0 1.800 3.670 99 62 A 66 CYS HA A 66 CYS HBy 1.0 1.747 3.409 100 63 A 66 CYS HBy A 66 CYS H 1.0 1.873 4.115 101 64 A 14 CYS H A 14 CYS HBy 1.0 1.829 3.831 102 65 A 14 CYS HA A 14 CYS HBy 1.0 1.673 3.091 103 66 A 14 CYS HBy A 16 ASN H 1.0 1.830 3.834 104 67 A 14 CYS HBy A 45 ASP H 1.0 1.840 3.894 105 68 A 50 ILE HG2% A 50 ILE HG1y 1.0 1.707 3.231 106 69 A 50 ILE HG1y A 50 ILE HB 1.0 1.816 3.762 107 70 A 50 ILE HG1y A 50 ILE HG1x 1.0 1.460 2.382 108 71 A 37 GLU HA A 37 GLU HGy 1.0 1.888 4.220 109 72 A 11 ILE HG1x A 6 CYS HBy 1.0 1.905 4.351 110 73 A 6 CYS HBy A 6 CYS HBx 1.0 1.428 2.294 111 74 A 6 CYS HBy A 11 ILE HD1% 1.0 1.843 3.913 112 75 A 22 SER HBx A 22 SER HBy 1.0 1.478 2.436 113 76 A 22 SER HBy A 19 PRO HDy 1.0 1.869 4.081 114 77 A 22 SER HBy A 24 LEU H 1.0 1.898 4.294 115 78 A 4 GLY HAy A 5 GLN H 1.0 1.812 3.732 116 79 A 4 GLY H A 4 GLY HAy 1.0 1.799 3.665 117 80 A 29 LEU HG A 26 THR HA 1.0 1.715 3.263 118 81 A 26 THR HA A 26 THR HB 1.0 1.641 2.971 119 82 A 26 THR HA A 27 LEU H 1.0 1.869 4.085 120 83 A 29 LEU H A 26 THR HA 1.0 1.772 3.526 121 84 A 50 ILE HG2% A 13 CYS HBx 1.0 1.870 4.084 122 85 A 50 ILE HG1y A 13 CYS HBx 1.0 1.838 3.882 123 86 A 50 ILE HG1x A 13 CYS HBx 1.0 1.862 4.038 124 87 A 13 CYS HBx A 13 CYS H 1.0 1.780 3.568 125 88 A 81 PRO HGy A 81 PRO HGx 1.0 1.472 2.420 126 89 A 81 PRO HBx A 81 PRO HGx 1.0 1.531 2.595 127 90 A 81 PRO HGx A 81 PRO HDx 1.0 1.662 3.052 128 91 A 81 PRO HGx A 81 PRO HBy 1.0 1.542 2.630 129 92 A 49 PRO HGy A 49 PRO HDy 1.0 1.702 3.212 130 93 A 49 PRO HBy A 49 PRO HGy 1.0 1.585 2.769 131 94 A 49 PRO HGy A 49 PRO HDx 1.0 1.733 3.347 132 95 A 29 LEU HBx A 29 LEU HBy 1.0 1.395 2.205 133 96 A 31 GLU HBy A 31 GLU HGy 1.0 1.595 2.803 134 97 A 31 GLU HGy A 31 GLU HA 1.0 1.853 3.979 135 98 A 31 GLU HGy A 31 GLU HGx 1.0 1.428 2.296 136 99 A 31 GLU HGy A 31 GLU H 1.0 2.388 4.720 137 100 A 81 PRO HBx A 81 PRO HBy 1.0 1.433 2.309 138 101 A 49 PRO HBy A 49 PRO HBx 1.0 1.412 2.252 139 102 A 81 PRO HDx A 81 PRO HBy 1.0 1.854 3.984 140 103 A 49 PRO HBy A 49 PRO HDx 1.0 1.842 3.906 141 104 A 82 VAL H A 81 PRO HBy 1.0 1.809 3.717 142 105 A 49 PRO HBy A 50 ILE H 1.0 1.901 4.319 143 106 A 49 PRO HBy A 12 GLN HE21 1.0 1.894 4.264 144 107 A 32 LEU HBy A 34 ILE HG1x 1.0 1.811 3.731 145 108 A 34 ILE HG1x A 32 LEU HBx 1.0 1.641 2.969 146 109 A 42 LEU HG A 42 LEU HA 1.0 1.884 4.190 147 110 A 42 LEU HA A 42 LEU HBy 1.0 1.793 3.635 148 111 A 42 LEU HA A 42 LEU HBx 1.0 1.684 3.136 149 112 A 57 ASP HBx A 57 ASP HA 1.0 1.576 2.738 150 113 A 42 LEU HA A 43 ILE H 1.0 1.558 2.680 151 114 A 42 LEU HA A 42 LEU H 1.0 1.849 3.951 152 115 A 57 ASP HA A 58 ALA H 1.0 1.740 3.378 153 116 A 28 LEU HBx A 28 LEU HBy 1.0 1.446 2.342 154 117 A 27 LEU HBy A 27 LEU HBx 1.0 1.284 1.928 155 118 A 29 LEU H A 28 LEU HBy 1.0 1.764 3.490 156 119 A 67 SER HA A 9 GLY HAy 1.0 1.813 3.741 157 120 A 9 GLY HAy A 9 GLY H 1.0 1.793 3.635 158 121 A 34 ILE HG1x A 34 ILE HB 1.0 1.729 3.323 159 122 A 29 LEU HBx A 34 ILE HB 1.0 1.869 4.087 160 123 A 29 LEU HA A 34 ILE HB 1.0 1.851 3.971 161 124 A 29 LEU HBy A 34 ILE HB 1.0 1.780 3.566 162 125 A 67 SER HA A 67 SER HBx 1.0 1.638 2.958 163 126 A 67 SER HBx A 78 GLY HAy 1.0 1.732 3.336 164 127 A 40 THR HB A 40 THR HG2% 1.0 1.457 2.373 165 128 A 40 THR HG2% A 39 PRO HDx 1.0 1.808 3.712 166 129 A 40 THR HG2% A 39 PRO HGy 1.0 1.737 3.365 167 130 A 26 THR HB A 26 THR HG2% 1.0 1.518 2.554 168 131 A 27 LEU HA A 26 THR HG2% 1.0 1.824 3.804 169 132 A 26 THR HA A 26 THR HG2% 1.0 1.549 2.651 170 133 A 26 THR HG2% A 21 ASP HA 1.0 1.787 3.607 171 134 A 40 THR HG2% A 40 THR H 1.0 1.602 2.830 172 135 A 27 LEU H A 26 THR HG2% 1.0 1.820 3.780 173 136 A 84 LEU HBx A 84 LEU HDy% 1.0 1.778 3.560 174 137 A 84 LEU HDx% A 84 LEU HBx 1.0 1.693 3.171 175 138 A 84 LEU HBx A 84 LEU HA 1.0 1.753 3.435 176 139 A 84 LEU HBx A 84 LEU H 1.0 1.735 3.353 177 140 A 3 TRP HA A 3 TRP HBx 1.0 1.685 3.139 178 141 A 3 TRP HA A 3 TRP HBy 1.0 1.707 3.233 179 142 A 3 TRP HA A 3 TRP HD1 1.0 1.914 4.432 180 143 A 81 PRO HGy A 42 LEU HDx% 1.0 1.834 3.858 181 144 A 64 VAL HGx% A 81 PRO HGy 1.0 1.909 4.385 182 145 A 81 PRO HGy A 81 PRO HBy 1.0 1.702 3.208 183 146 A 59 CYS HBx A 58 ALA HB% 1.0 1.892 4.250 184 147 A 59 CYS HBx A 13 CYS HBx 1.0 1.760 3.468 185 148 A 59 CYS HBx A 50 ILE HG2% 1.0 1.845 3.929 186 149 A 59 CYS H A 59 CYS HBx 1.0 1.743 3.389 187 150 A 31 GLU HBx A 28 LEU HA 1.0 1.811 3.733 188 151 A 31 GLU HBy A 28 LEU HA 1.0 1.819 3.779 189 152 A 28 LEU HBy A 28 LEU HA 1.0 1.702 3.208 190 153 A 28 LEU HBx A 28 LEU HA 1.0 1.632 2.934 191 154 A 28 LEU HA A 28 LEU H 1.0 1.693 3.171 192 155 A 28 LEU HBy A 25 GLY HAx 1.0 1.840 3.896 193 156 A 25 GLY HAx A 43 ILE HD1% 1.0 1.741 3.381 194 157 A 25 GLY HAx A 18 VAL HGy% 1.0 1.732 3.338 195 158 A 25 GLY HAx A 18 VAL HGx% 1.0 1.886 4.204 196 159 A 25 GLY HAx A 20 GLY HAy 1.0 1.874 4.116 197 160 A 25 GLY HAx A 25 GLY H 1.0 1.695 3.185 198 161 A 25 GLY HAx A 26 THR H 1.0 1.869 4.081 199 162 A 65 CYS HBx A 65 CYS HA 1.0 1.768 3.508 200 163 A 65 CYS HA A 65 CYS HBy 1.0 1.729 3.323 201 164 A 64 VAL HGy% A 65 CYS HA 1.0 1.844 3.926 202 165 A 13 CYS HA A 13 CYS HBx 1.0 1.732 3.338 203 166 A 13 CYS HA A 63 ALA HB% 1.0 1.874 4.118 204 167 A 66 CYS H A 65 CYS HA 1.0 1.583 2.765 205 168 A 65 CYS HA A 65 CYS H 1.0 1.832 3.850 206 169 A 13 CYS HA A 14 CYS H 1.0 1.538 2.618 207 170 A 13 CYS HA A 64 VAL H 1.0 1.890 4.230 208 171 A 71 VAL HB A 71 VAL H 1.0 1.765 3.493 209 172 A 6 CYS HBy A 6 CYS HA 1.0 1.763 3.485 210 173 A 6 CYS HBx A 6 CYS HA 1.0 1.723 3.299 211 174 A 12 GLN HGy A 12 GLN HBx 1.0 1.683 3.131 212 175 A 12 GLN HBx A 76 ALA HB% 1.0 1.903 4.333 213 176 A 52 VAL HB A 52 VAL HGy% 1.0 1.538 2.616 214 177 A 19 PRO HDx A 19 PRO HBy 1.0 1.877 4.139 215 178 A 19 PRO HDy A 19 PRO HBy 1.0 1.883 4.185 216 179 A 19 PRO HBy A 19 PRO HGy 1.0 1.601 2.825 217 180 A 37 GLU HA A 37 GLU HBy 1.0 2.047 3.143 218 181 A 37 GLU HA A 37 GLU H 1.0 1.733 3.345 219 182 A 37 GLU HA A 38 ASP H 1.0 1.874 4.118 220 183 A 9 GLY HAy A 9 GLY HAx 1.0 1.374 2.150 221 184 A 67 SER HA A 9 GLY HAx 1.0 1.820 3.784 222 185 A 9 GLY HAx A 10 SER H 1.0 1.720 3.286 223 186 A 29 LEU HBx A 29 LEU HA 1.0 1.656 3.024 224 187 A 29 LEU HBy A 29 LEU HA 1.0 1.637 2.955 225 188 A 29 LEU HA A 32 LEU HBx 1.0 1.792 3.628 226 189 A 15 GLN HGx A 15 GLN HA 1.0 1.847 3.943 227 190 A 15 GLN HA A 15 GLN HB2 1.0 1.569 2.715 228 191 A 29 LEU HA A 34 ILE HG1x 1.0 1.856 4.000 229 192 A 29 LEU H A 29 LEU HA 1.0 1.707 3.231 230 193 A 29 LEU HA A 31 GLU H 1.0 1.823 3.795 231 194 A 29 LEU HA A 34 ILE H 1.0 1.890 4.236 232 195 A 15 GLN HGx A 15 GLN HB2 1.0 1.615 2.873 233 196 A 15 GLN HGx A 15 GLN HGy 1.0 1.368 2.136 234 197 A 15 GLN HGx A 16 ASN HD22 1.0 1.838 3.884 235 198 A 26 THR HB A 26 THR H 1.0 1.646 2.990 236 199 A 59 CYS HBx A 13 CYS HBy 1.0 1.874 4.118 237 200 A 13 CYS HBx A 13 CYS HBy 1.0 1.443 2.335 238 201 A 13 CYS HBy A 48 ASP HBx 1.0 1.886 4.202 239 202 A 13 CYS H A 13 CYS HBy 1.0 1.715 3.263 240 203 A 43 ILE HG1y A 43 ILE HB 1.0 1.730 3.330 241 204 A 43 ILE HB A 43 ILE HG1x 1.0 1.794 3.636 242 205 A 43 ILE HD1% A 43 ILE HB 1.0 1.676 3.106 243 206 A 18 VAL HGy% A 43 ILE HB 1.0 1.856 4.002 244 207 A 43 ILE HB A 44 GLY H 1.0 1.770 3.518 245 208 A 37 GLU HGy A 37 GLU HBy 1.0 1.677 3.111 246 209 A 80 LEU HDx% A 80 LEU HG 1.0 1.647 2.991 247 210 A 80 LEU HG A 80 LEU HA 1.0 1.863 4.043 248 211 A 24 LEU H A 23 ASP HBy 1.0 1.737 3.363 249 212 A 23 ASP HBx A 23 ASP H 1.0 1.894 4.260 250 213 A 17 VAL HGy% A 62 THR HG2% 1.0 1.525 2.577 251 214 A 64 VAL HGx% A 62 THR HG2% 1.0 1.498 2.496 252 215 A 62 THR HG2% A 62 THR HA 1.0 1.544 2.638 253 216 A 62 THR HG2% A 62 THR HB 1.0 1.510 2.532 254 217 A 62 THR HG2% A 17 VAL HB 1.0 1.681 3.125 255 218 A 63 ALA H A 62 THR HG2% 1.0 1.653 3.015 256 219 A 28 LEU HG A 28 LEU HBx 1.0 1.842 3.910 257 220 A 27 LEU HA A 27 LEU HG 1.0 1.870 4.094 258 221 A 42 LEU HG A 41 VAL HA 1.0 1.872 4.108 259 222 A 42 LEU HG A 42 LEU HBy 1.0 1.738 3.366 260 223 A 42 LEU HBy A 42 LEU HBx 1.0 1.498 2.494 261 224 A 42 LEU HBy A 42 LEU HDy% 1.0 1.745 3.395 262 225 A 79 CYS HBx A 42 LEU HBy 1.0 1.854 3.986 263 226 A 57 ASP HA A 57 ASP HBy 1.0 1.686 3.148 264 227 A 57 ASP HBy A 57 ASP H 1.0 1.862 4.040 265 228 A 66 CYS HA A 66 CYS H 1.0 1.876 4.132 266 229 A 80 LEU H A 66 CYS HA 1.0 1.837 3.879 267 230 A 19 PRO HDy A 19 PRO HDx 1.0 1.413 2.253 268 231 A 19 PRO HDx A 19 PRO HGy 1.0 1.714 3.260 269 232 A 19 PRO HDx A 19 PRO HGx 1.0 1.673 3.091 270 233 A 18 VAL HGx% A 19 PRO HDx 1.0 1.838 3.886 271 234 A 39 PRO HDx A 39 PRO HBx 1.0 1.888 4.220 272 235 A 39 PRO HDx A 39 PRO HGy 1.0 1.670 3.082 273 236 A 19 PRO HDx A 18 VAL HA 1.0 1.499 2.495 274 237 A 39 PRO HDx A 40 THR H 1.0 1.800 3.672 275 238 A 39 PRO HDx A 38 ASP HA 1.0 1.513 2.541 276 239 A 35 VAL HA A 35 VAL HB 1.0 1.769 3.511 277 240 A 35 VAL HA A 36 LEU HG 1.0 1.871 4.097 278 241 A 35 VAL HA A 34 ILE HG2% 1.0 1.831 3.845 279 242 A 41 VAL HA A 41 VAL HB 1.0 1.552 2.664 280 243 A 42 LEU HBy A 41 VAL HA 1.0 1.957 4.869 281 244 A 41 VAL HA A 41 VAL HGx% 1.0 1.539 2.619 282 245 A 41 VAL HA A 41 VAL HGy% 1.0 1.700 3.200 283 246 A 35 VAL HA A 36 LEU H 1.0 1.483 2.447 284 247 A 35 VAL HA A 35 VAL H 1.0 1.774 3.538 285 248 A 42 LEU H A 41 VAL HA 1.0 1.500 2.500 286 249 A 41 VAL HA A 41 VAL H 1.0 1.664 3.058 287 250 A 33 GLY HAx A 33 GLY H 1.0 1.557 2.675 288 251 A 24 LEU HBx A 24 LEU HDy% 1.0 1.694 3.176 289 252 A 24 LEU HBx A 18 VAL HGy% 1.0 1.807 3.705 290 253 A 24 LEU HA A 24 LEU HBx 1.0 1.703 3.215 291 254 A 24 LEU HBx A 28 LEU HG 1.0 1.788 3.608 292 255 A 13 CYS HA A 13 CYS HBy 1.0 1.786 3.598 293 256 A 13 CYS HA A 50 ILE HD1% 1.0 1.843 3.915 294 257 A 36 LEU HG A 36 LEU HA 1.0 1.834 3.858 295 258 A 36 LEU HA A 36 LEU HBx 1.0 1.763 3.483 296 259 A 36 LEU HA A 36 LEU HBy 1.0 1.680 3.118 297 260 A 37 GLU H A 36 LEU HA 1.0 1.563 2.697 298 261 A 36 LEU H A 36 LEU HA 1.0 1.748 3.416 299 262 A 50 ILE HB A 50 ILE HG1x 1.0 1.734 3.350 300 263 A 5 GLN HBx A 5 GLN HG2 1.0 1.545 2.637 301 264 A 51 THR HB A 51 THR HG2% 1.0 1.510 2.530 302 265 A 49 PRO HBx A 51 THR HG2% 1.0 1.788 3.608 303 266 A 83 THR HA A 83 THR HG2% 1.0 1.611 2.859 304 267 A 83 THR HG2% A 83 THR HB 1.0 1.532 2.600 305 268 A 51 THR HG2% A 51 THR H 1.0 1.823 3.797 306 269 A 84 LEU H A 83 THR HG2% 1.0 1.776 3.548 307 270 A 36 LEU HG A 36 LEU HBy 1.0 1.767 3.505 308 271 A 36 LEU HBx A 36 LEU HBy 1.0 1.441 2.331 309 272 A 36 LEU H A 36 LEU HBy 1.0 1.804 3.694 310 273 A 49 PRO HDy A 48 ASP HBx 1.0 1.880 4.162 311 274 A 49 PRO HBy A 49 PRO HDy 1.0 1.841 3.901 312 275 A 49 PRO HDy A 49 PRO HBx 1.0 1.830 3.838 313 276 A 49 PRO HDy A 48 ASP HA 1.0 1.540 2.622 314 277 A 80 LEU HBx A 80 LEU HDx% 1.0 1.668 3.076 315 278 A 80 LEU HBx A 80 LEU HDy% 1.0 1.667 3.069 316 279 A 80 LEU HBx A 80 LEU H 1.0 1.822 3.794 317 280 A 65 CYS HBy A 65 CYS H 1.0 1.791 3.625 318 281 A 80 LEU HBx A 81 PRO HDy 1.0 1.744 3.392 319 282 A 80 LEU HDx% A 81 PRO HDy 1.0 1.775 3.539 320 283 A 81 PRO HGx A 81 PRO HDy 1.0 1.681 3.123 321 284 A 81 PRO HGy A 81 PRO HDy 1.0 1.672 3.088 322 285 A 19 PRO HDy A 19 PRO HGy 1.0 1.641 2.971 323 286 A 19 PRO HDy A 18 VAL HGy% 1.0 1.883 4.181 324 287 A 39 PRO HGy A 39 PRO HDy 1.0 1.727 3.319 325 288 A 39 PRO HBx A 39 PRO HDy 1.0 1.790 3.614 326 289 A 39 PRO HDy A 39 PRO HGx 1.0 1.632 2.938 327 290 A 22 SER HBx A 19 PRO HDy 1.0 1.709 3.241 328 291 A 39 PRO HDx A 39 PRO HDy 1.0 1.368 2.136 329 292 A 19 PRO HDy A 18 VAL HA 1.0 1.607 2.847 330 293 A 38 ASP HA A 39 PRO HDy 1.0 1.546 2.642 331 294 A 62 THR HB A 61 ALA HB% 1.0 1.903 4.329 332 295 A 62 THR HA A 62 THR HB 1.0 1.828 3.828 333 296 A 62 THR HB A 62 THR H 1.0 1.636 2.950 334 297 A 29 LEU H A 28 LEU HBx 1.0 1.837 3.877 335 298 A 28 LEU HBx A 28 LEU H 1.0 1.778 3.556 336 299 A 77 ILE HB A 68 ASP HBy 1.0 1.843 3.917 337 300 A 40 THR HB A 40 THR HA 1.0 1.546 2.644 338 301 A 51 THR HB A 51 THR HA 1.0 1.552 2.660 339 302 A 40 THR HB A 40 THR H 1.0 1.860 4.024 340 303 A 51 THR HB A 52 VAL H 1.0 1.917 4.447 341 304 A 51 THR HB A 51 THR H 1.0 1.883 4.185 342 305 A 43 ILE HG1y A 43 ILE HG1x 1.0 1.502 2.506 343 306 A 43 ILE H A 43 ILE HG1x 1.0 1.774 3.538 344 307 A 77 ILE HB A 77 ILE HG1x 1.0 1.734 3.348 345 308 A 77 ILE HB A 68 ASP HBx 1.0 1.822 3.790 346 309 A 77 ILE HB A 77 ILE H 1.0 1.716 3.268 347 310 A 36 LEU HG A 36 LEU HBx 1.0 1.684 3.136 348 311 A 24 LEU HA A 24 LEU HBy 1.0 1.626 2.914 349 312 A 24 LEU HA A 24 LEU H 1.0 1.719 3.285 350 313 A 83 THR HA A 83 THR HB 1.0 1.686 3.146 351 314 A 84 LEU H A 83 THR HB 1.0 1.849 3.957 352 315 A 83 THR HB A 83 THR H 1.0 1.706 3.228 353 316 A 74 VAL HA A 73 GLY HAx 1.0 1.911 4.395 354 317 A 5 GLN HG2 A 5 GLN HBy 1.0 1.665 3.059 355 318 A 5 GLN HBx A 5 GLN HBy 1.0 1.413 2.255 356 319 A 19 PRO HGy A 19 PRO HBx 1.0 1.685 3.139 357 320 A 19 PRO HBy A 19 PRO HBx 1.0 1.441 2.329 358 321 A 42 LEU HDy% A 19 PRO HBx 1.0 1.818 3.772 359 322 A 19 PRO HDx A 19 PRO HBx 1.0 1.900 4.312 360 323 A 19 PRO HBx A 20 GLY H 1.0 1.873 4.111 361 324 A 19 PRO HBx A 21 ASP H 1.0 1.872 4.108 362 325 A 22 SER HBx A 19 PRO HBy 1.0 1.798 3.658 363 326 A 79 CYS HA A 80 LEU HG 1.0 1.906 4.362 364 327 A 79 CYS HA A 80 LEU H 1.0 1.578 2.750 365 328 A 79 CYS HA A 67 SER H 1.0 1.840 3.898 366 329 A 79 CYS HA A 79 CYS H 1.0 1.795 3.645 367 330 A 52 VAL HGx% A 53 ALA HA 1.0 1.876 4.132 368 331 A 53 ALA HA A 53 ALA H 1.0 1.813 3.739 369 332 A 79 CYS HBx A 42 LEU HBx 1.0 1.887 4.211 370 333 A 79 CYS HBx A 79 CYS H 1.0 1.729 3.325 371 334 A 79 CYS HBx A 80 LEU H 1.0 1.861 4.029 372 335 A 34 ILE HG1y A 72 SER HB2 1.0 1.853 3.979 373 336 A 72 SER HB2 A 75 ILE HD1% 1.0 1.775 3.541 374 337 A 72 SER HB2 A 72 SER H 1.0 1.784 3.584 375 338 A 18 VAL HGx% A 18 VAL HB 1.0 1.615 2.873 376 339 A 19 PRO HDx A 18 VAL HB 1.0 1.813 3.739 377 340 A 19 PRO HDy A 18 VAL HB 1.0 1.735 3.357 378 341 A 59 CYS HBx A 59 CYS HA 1.0 1.632 2.936 379 342 A 59 CYS HA A 60 SER H 1.0 1.879 4.147 380 343 A 70 ASN HBx A 70 ASN HBy 1.0 1.429 2.297 381 344 A 70 ASN HBy A 70 ASN HA 1.0 1.812 3.736 382 345 A 49 PRO HGx A 49 PRO HBx 1.0 1.586 2.776 383 346 A 75 ILE HG1x A 75 ILE HG1y 1.0 1.466 2.400 384 347 A 71 VAL HB A 75 ILE HG1y 1.0 1.879 4.153 385 348 A 75 ILE HB A 75 ILE HG1y 1.0 1.730 3.328 386 349 A 77 ILE HG1x A 77 ILE H 1.0 1.822 3.794 387 350 A 75 ILE HG1y A 75 ILE H 1.0 1.873 4.115 388 351 A 84 LEU HG A 84 LEU H 1.0 1.805 3.693 389 352 A 39 PRO HGy A 39 PRO HGx 1.0 1.443 2.333 390 353 A 39 PRO HGx A 39 PRO HA 1.0 1.916 4.446 391 354 A 39 PRO HBx A 39 PRO HGx 1.0 1.634 2.946 392 355 A 39 PRO HDx A 39 PRO HGx 1.0 1.763 3.481 393 356 A 48 ASP HA A 48 ASP HBy 1.0 1.628 2.920 394 357 A 48 ASP HBx A 48 ASP HA 1.0 1.744 3.394 395 358 A 49 PRO HGx A 48 ASP HA 1.0 1.917 4.455 396 359 A 42 LEU H A 41 VAL HB 1.0 1.695 3.181 397 360 A 70 ASN HBx A 70 ASN HA 1.0 1.669 3.075 398 361 A 11 ILE HG1x A 11 ILE HG2% 1.0 1.772 3.526 399 362 A 11 ILE HG1x A 11 ILE HB 1.0 1.660 3.038 400 363 A 22 SER HA A 22 SER HBy 1.0 1.604 2.838 401 364 A 55 SER HBx A 55 SER HA 1.0 1.675 3.101 402 365 A 22 SER HA A 23 ASP H 1.0 1.746 3.406 403 366 A 22 SER HA A 22 SER H 1.0 1.777 3.555 404 367 A 5 GLN HG2 A 5 GLN HA 1.0 1.718 3.280 405 368 A 5 GLN HBx A 5 GLN HA 1.0 1.658 3.034 406 369 A 5 GLN HBy A 5 GLN HA 1.0 1.735 3.349 407 370 A 5 GLN H A 5 GLN HA 1.0 1.824 3.804 408 371 A 53 ALA HA A 53 ALA HB% 1.0 1.563 2.697 409 372 A 37 GLU HBy A 37 GLU HGx 1.0 1.713 3.253 410 373 A 26 THR HB A 23 ASP HA 1.0 1.696 3.188 411 374 A 26 THR HG2% A 23 ASP HA 1.0 1.909 4.381 412 375 A 24 LEU H A 23 ASP HA 1.0 1.779 3.563 413 376 A 16 ASN HBy A 16 ASN HBx 1.0 1.437 2.319 414 377 A 68 ASP HBx A 77 ILE HG2% 1.0 1.838 3.884 415 378 A 16 ASN H A 16 ASN HBx 1.0 1.677 3.107 416 379 A 84 LEU HG A 84 LEU HA 1.0 1.603 2.831 417 380 A 84 LEU HDx% A 84 LEU HA 1.0 1.899 4.301 418 381 A 84 LEU H A 84 LEU HA 1.0 1.737 3.365 419 382 A 14 CYS H A 14 CYS HA 1.0 1.870 4.088 420 383 A 14 CYS HA A 48 ASP H 1.0 1.794 3.638 421 384 A 14 CYS HA A 15 GLN H 1.0 1.568 2.714 422 385 A 47 CYS HA A 14 CYS HA 1.0 1.541 2.629 423 386 A 29 LEU HDy% A 29 LEU HBx 1.0 1.679 3.117 424 387 A 29 LEU HBx A 29 LEU HDx% 1.0 1.747 3.411 425 388 A 29 LEU HBx A 34 ILE HD1% 1.0 1.880 4.156 426 389 A 29 LEU HBx A 29 LEU H 1.0 1.650 3.002 427 390 A 48 ASP HBx A 48 ASP HBy 1.0 1.435 2.313 428 391 A 49 PRO HDy A 48 ASP HBy 1.0 1.744 3.396 429 392 A 20 GLY HAy A 20 GLY HAx 1.0 1.434 2.312 430 393 A 20 GLY HAx A 43 ILE HG2% 1.0 1.762 3.476 431 394 A 43 ILE HD1% A 20 GLY HAx 1.0 1.744 3.396 432 395 A 46 GLY HAy A 15 GLN HB2 1.0 1.726 3.316 433 396 A 46 GLY HAx A 74 VAL HGx% 1.0 1.895 4.271 434 397 A 46 GLY HAx A 15 GLN HGy 1.0 1.866 4.066 435 398 A 46 GLY HAx A 15 GLN HB2 1.0 1.737 3.363 436 399 A 46 GLY HAx A 15 GLN H 1.0 1.855 3.991 437 400 A 21 ASP H A 20 GLY HAx 1.0 1.854 3.984 438 401 A 20 GLY H A 20 GLY HAx 1.0 1.595 2.805 439 402 A 47 CYS H A 46 GLY HAx 1.0 1.804 3.690 440 403 A 46 GLY HAx A 46 GLY H 1.0 1.600 2.822 441 404 A 47 CYS HA A 47 CYS HBx 1.0 1.738 3.370 442 405 A 47 CYS HA A 47 CYS H 1.0 1.848 3.946 443 406 A 47 CYS HA A 48 ASP H 1.0 1.564 2.698 444 407 A 47 CYS HA A 15 GLN H 1.0 1.836 3.876 445 408 A 50 ILE HB A 50 ILE HA 1.0 1.727 3.317 446 409 A 50 ILE HG1y A 50 ILE HA 1.0 1.731 3.333 447 410 A 50 ILE HG1x A 50 ILE HA 1.0 1.798 3.660 448 411 A 7 SER HA A 7 SER HBx 1.0 1.555 2.671 449 412 A 51 THR H A 50 ILE HA 1.0 1.610 2.860 450 413 A 50 ILE H A 50 ILE HA 1.0 1.778 3.558 451 414 A 7 SER HA A 8 THR H 1.0 1.885 4.203 452 415 A 10 SER HBy A 10 SER HBx 1.0 1.290 1.942 453 416 A 10 SER H A 10 SER HBx 1.0 1.721 3.291 454 417 A 17 VAL HGy% A 44 GLY HAx 1.0 1.745 3.395 455 418 A 44 GLY HAx A 44 GLY H 1.0 1.793 3.633 456 419 A 19 PRO HDy A 19 PRO HGx 1.0 1.861 4.031 457 420 A 19 PRO HGx A 19 PRO HBx 1.0 1.707 3.229 458 421 A 75 ILE HB A 76 ALA H 1.0 1.789 3.613 459 422 A 44 GLY HAy A 17 VAL HA 1.0 1.879 4.153 460 423 A 17 VAL HB A 17 VAL HA 1.0 1.815 3.757 461 424 A 45 ASP H A 17 VAL HA 1.0 1.872 4.106 462 425 A 17 VAL HA A 18 VAL H 1.0 1.492 2.478 463 426 A 17 VAL HA A 17 VAL H 1.0 1.835 3.869 464 427 A 55 SER HA A 55 SER HBy 1.0 1.662 3.048 465 428 A 49 PRO HGx A 49 PRO HDx 1.0 1.623 2.901 466 429 A 49 PRO HDx A 49 PRO HDy 1.0 1.330 2.040 467 430 A 49 PRO HDx A 48 ASP HBy 1.0 1.811 3.733 468 431 A 49 PRO HDx A 49 PRO HBx 1.0 1.870 4.086 469 432 A 49 PRO HDx A 48 ASP HA 1.0 1.524 2.574 470 433 A 38 ASP HBy A 38 ASP HA 1.0 1.768 3.504 471 434 A 38 ASP HBx A 38 ASP HA 1.0 1.664 3.056 472 435 A 32 LEU HBy A 32 LEU HG 1.0 1.649 2.997 473 436 A 29 LEU HG A 29 LEU HDy% 1.0 1.538 2.618 474 437 A 39 PRO HGy A 39 PRO HBx 1.0 1.722 3.298 475 438 A 39 PRO HBy A 21 ASP HBy 1.0 1.825 3.807 476 439 A 21 ASP HBy A 21 ASP HBx 1.0 1.451 2.359 477 440 A 44 GLY HAy A 44 GLY H 1.0 1.672 3.090 478 441 A 44 GLY HAy A 45 ASP H 1.0 1.728 3.322 479 442 A 27 LEU HBy A 27 LEU HA 1.0 1.718 3.278 480 443 A 27 LEU HBy A 28 LEU H 1.0 1.757 3.453 481 444 A 52 VAL HGy% A 52 VAL HA 1.0 1.565 2.703 482 445 A 52 VAL HB A 52 VAL HA 1.0 1.719 3.279 483 446 A 52 VAL H A 52 VAL HA 1.0 1.767 3.503 484 447 A 48 ASP HBx A 48 ASP H 1.0 1.728 3.322 485 448 A 81 PRO HBx A 81 PRO HDx 1.0 1.780 3.566 486 449 A 81 PRO HGy A 81 PRO HDx 1.0 1.700 3.202 487 450 A 80 LEU HBx A 81 PRO HDx 1.0 1.703 3.215 488 451 A 81 PRO HDx A 42 LEU HDx% 1.0 1.738 3.366 489 452 A 81 PRO HDx A 80 LEU HA 1.0 1.539 2.623 490 453 A 56 SER HBx A 56 SER HBy 1.0 1.244 1.838 491 454 A 10 SER H A 10 SER HBy 1.0 1.727 3.315 492 455 A 64 VAL HB A 64 VAL HA 1.0 1.636 2.954 493 456 A 64 VAL HGy% A 64 VAL HA 1.0 1.703 3.213 494 457 A 65 CYS H A 64 VAL HA 1.0 1.545 2.639 495 458 A 82 VAL H A 64 VAL HA 1.0 1.692 3.170 496 459 A 12 GLN HBy A 12 GLN HGy 1.0 1.545 2.637 497 460 A 27 LEU HA A 30 ASP HBx 1.0 1.780 3.566 498 461 A 27 LEU HA A 30 ASP HBy 1.0 1.728 3.322 499 462 A 27 LEU HA A 27 LEU HBx 1.0 1.646 2.986 500 463 A 27 LEU HA A 30 ASP H 1.0 1.850 3.956 501 464 A 27 LEU HA A 28 LEU H 1.0 1.822 3.790 502 465 A 27 LEU HA A 27 LEU H 1.0 1.692 3.168 503 466 A 32 LEU HBx A 32 LEU HDy% 1.0 1.632 2.938 504 467 A 32 LEU HBx A 32 LEU HG 1.0 1.731 3.333 505 468 A 32 LEU HBy A 32 LEU HBx 1.0 1.449 2.353 506 469 A 32 LEU HBx A 32 LEU H 1.0 1.794 3.636 507 470 A 25 GLY HAx A 25 GLY HAy 1.0 1.414 2.256 508 471 A 18 VAL HGx% A 25 GLY HAy 1.0 1.915 4.429 509 472 A 26 THR H A 25 GLY HAy 1.0 1.780 3.566 510 473 A 25 GLY H A 25 GLY HAy 1.0 1.636 2.954 511 474 A 22 SER H A 25 GLY HAy 1.0 1.869 4.083 512 475 A 35 VAL HB A 35 VAL H 1.0 1.692 3.170 513 476 A 79 CYS HBx A 64 VAL HB 1.0 1.637 2.955 514 477 A 65 CYS H A 64 VAL HB 1.0 1.714 3.260 515 478 A 33 GLY HAx A 30 ASP HA 1.0 1.865 4.061 516 479 A 30 ASP HBy A 30 ASP HA 1.0 1.628 2.922 517 480 A 30 ASP HBx A 30 ASP HA 1.0 1.658 3.034 518 481 A 30 ASP H A 30 ASP HA 1.0 1.655 3.021 519 482 A 31 GLU H A 30 ASP HA 1.0 1.758 3.460 520 483 A 80 LEU HA A 81 PRO HDy 1.0 1.521 2.563 521 484 A 81 PRO HGy A 80 LEU HA 1.0 1.922 4.504 522 485 A 80 LEU HBx A 80 LEU HA 1.0 1.613 2.869 523 486 A 42 LEU HDx% A 80 LEU HA 1.0 1.767 3.503 524 487 A 75 ILE HA A 76 ALA HB% 1.0 1.922 4.496 525 488 A 75 ILE HB A 75 ILE HA 1.0 1.671 3.085 526 489 A 75 ILE HA A 75 ILE HG1y 1.0 1.799 3.667 527 490 A 75 ILE HA A 75 ILE HG2% 1.0 1.588 2.780 528 491 A 75 ILE HA A 76 ALA H 1.0 1.506 2.518 529 492 A 75 ILE HA A 75 ILE H 1.0 1.791 3.623 530 493 A 75 ILE HA A 45 ASP HA 1.0 1.743 3.391 531 494 A 75 ILE HG2% A 45 ASP HA 1.0 1.739 3.371 532 495 A 45 ASP H A 45 ASP HA 1.0 1.781 3.573 533 496 A 46 GLY H A 45 ASP HA 1.0 1.553 2.665 534 497 A 73 GLY HAy A 74 VAL H 1.0 1.739 3.369 535 498 A 19 PRO HGy A 19 PRO HGx 1.0 1.425 2.285 536 499 A 19 PRO HGy A 42 LEU HDy% 1.0 1.908 4.376 537 500 A 22 SER HBx A 19 PRO HGy 1.0 1.884 4.192 538 501 A 66 CYS HBx A 76 ALA HB% 1.0 1.795 3.639 539 502 A 66 CYS HBx A 67 SER H 1.0 1.891 4.245 540 503 A 66 CYS HBx A 66 CYS H 1.0 1.796 3.650 541 504 A 66 CYS HA A 66 CYS HBx 1.0 1.828 3.826 542 505 A 39 PRO HBy A 21 ASP HBx 1.0 1.886 4.202 543 506 A 39 PRO HBx A 39 PRO HBy 1.0 1.429 2.295 544 507 A 56 SER HBy A 56 SER HA 1.0 1.646 2.990 545 508 A 56 SER HBx A 56 SER HA 1.0 1.644 2.980 546 509 A 3 TRP H A 2 SER HA 1.0 1.789 3.615 547 510 A 77 ILE HG1y A 77 ILE HA 1.0 1.730 3.328 548 511 A 77 ILE HB A 77 ILE HA 1.0 1.807 3.711 549 512 A 77 ILE HG1x A 77 ILE HA 1.0 1.804 3.690 550 513 A 77 ILE HG2% A 77 ILE HA 1.0 1.575 2.739 551 514 A 82 VAL HA A 82 VAL HGy% 1.0 1.610 2.856 552 515 A 82 VAL HA A 82 VAL HB 1.0 1.628 2.922 553 516 A 77 ILE HA A 43 ILE HA 1.0 1.687 3.149 554 517 A 77 ILE H A 77 ILE HA 1.0 1.813 3.743 555 518 A 83 THR H A 82 VAL HA 1.0 1.529 2.589 556 519 A 32 LEU HG A 32 LEU HA 1.0 1.772 3.528 557 520 A 32 LEU HBy A 32 LEU HA 1.0 1.740 3.376 558 521 A 32 LEU HBx A 32 LEU HA 1.0 1.647 2.993 559 522 A 33 GLY H A 32 LEU HA 1.0 1.853 3.979 560 523 A 32 LEU H A 32 LEU HA 1.0 1.757 3.457 561 524 A 30 ASP HBx A 30 ASP HBy 1.0 1.461 2.387 562 525 A 31 GLU H A 30 ASP HBx 1.0 1.774 3.538 563 526 A 73 GLY HAx A 74 VAL H 1.0 1.809 3.719 564 527 A 83 THR HA A 83 THR H 1.0 1.804 3.694 565 528 A 9 GLY H A 8 THR HA 1.0 1.752 3.430 566 529 A 6 CYS HBx A 11 ILE HG2% 1.0 1.885 4.199 567 530 A 6 CYS HBx A 11 ILE HD1% 1.0 1.811 3.729 568 531 A 68 ASP HBy A 68 ASP HBx 1.0 1.293 1.949 569 532 A 67 SER HA A 67 SER H 1.0 1.660 3.042 570 533 A 84 LEU H A 83 THR HA 1.0 1.480 2.440 571 534 A 24 LEU HBy A 24 LEU HDx% 1.0 1.733 3.343 572 535 A 24 LEU HDy% A 24 LEU HBy 1.0 1.717 3.273 573 536 A 18 VAL HGy% A 24 LEU HBy 1.0 1.882 4.180 574 537 A 14 CYS HA A 14 CYS HBx 1.0 1.752 3.432 575 538 A 78 GLY HAy A 41 VAL HGy% 1.0 1.818 3.764 576 539 A 78 GLY HAy A 41 VAL HB 1.0 1.816 3.760 577 540 A 78 GLY HAy A 77 ILE HG2% 1.0 1.845 3.929 578 541 A 67 SER H A 78 GLY HAy 1.0 1.893 4.259 579 542 A 79 CYS H A 78 GLY HAy 1.0 1.841 3.905 580 543 A 78 GLY HAy A 78 GLY H 1.0 1.729 3.325 581 544 A 18 VAL HA A 18 VAL HB 1.0 1.606 2.844 582 545 A 19 PRO HGx A 18 VAL HA 1.0 1.907 4.363 583 546 A 18 VAL HA A 17 VAL HGx% 1.0 1.823 3.801 584 547 A 18 VAL HA A 18 VAL H 1.0 1.783 3.581 585 548 A 8 THR HA A 8 THR HG2% 1.0 1.601 2.825 586 549 A 8 THR HG2% A 8 THR HB 1.0 1.534 2.602 587 550 A 21 ASP HA A 21 ASP HBx 1.0 1.591 2.793 588 551 A 21 ASP HA A 21 ASP HBy 1.0 1.622 2.900 589 552 A 21 ASP HA A 21 ASP H 1.0 1.749 3.419 590 553 A 21 ASP HA A 22 SER H 1.0 1.819 3.777 591 554 A 39 PRO HBx A 36 LEU HBx 1.0 1.872 4.106 592 555 A 18 VAL HGx% A 16 ASN HBy 1.0 1.781 3.569 593 556 A 15 GLN HGx A 16 ASN HBy 1.0 1.902 4.322 594 557 A 20 GLY HAy A 43 ILE HG1y 1.0 1.885 4.195 595 558 A 20 GLY HAy A 43 ILE HG1x 1.0 1.840 3.900 596 559 A 29 LEU HDy% A 20 GLY HAy 1.0 1.735 3.349 597 560 A 43 ILE HD1% A 20 GLY HAy 1.0 1.748 3.412 598 561 A 20 GLY HAy A 25 GLY HAy 1.0 1.751 3.425 599 562 A 20 GLY HAy A 20 GLY H 1.0 1.703 3.217 600 563 A 49 PRO HBx A 50 ILE H 1.0 1.880 4.162 601 564 A 15 GLN HB2 A 15 GLN HGy 1.0 1.665 3.059 602 565 A 31 GLU HBy A 31 GLU HGx 1.0 1.717 3.277 603 566 A 31 GLU HBy A 31 GLU HBx 1.0 1.370 2.142 604 567 A 31 GLU HBy A 31 GLU H 1.0 1.713 3.257 605 568 A 31 GLU HGx A 31 GLU HBx 1.0 1.649 2.997 606 569 A 44 GLY HAy A 76 ALA HB% 1.0 1.765 3.493 607 570 A 66 CYS HBy A 76 ALA HB% 1.0 1.738 3.368 608 571 A 76 ALA HB% A 44 GLY H 1.0 1.770 3.518 609 572 A 76 ALA HB% A 76 ALA H 1.0 1.535 2.607 610 573 A 76 ALA HB% A 76 ALA HA 1.0 1.527 2.581 611 574 A 31 GLU HA A 31 GLU HGx 1.0 1.804 3.690 612 575 A 31 GLU HA A 31 GLU HBx 1.0 1.608 2.852 613 576 A 31 GLU HBy A 31 GLU HA 1.0 1.668 3.074 614 577 A 31 GLU HA A 31 GLU H 1.0 1.652 3.012 615 578 A 31 GLU HA A 32 LEU H 1.0 1.860 4.018 616 579 A 41 VAL HB A 78 GLY HAx 1.0 1.711 3.247 617 580 A 78 GLY HAy A 78 GLY HAx 1.0 1.414 2.256 618 581 A 79 CYS H A 78 GLY HAx 1.0 1.763 3.483 619 582 A 78 GLY H A 78 GLY HAx 1.0 1.673 3.091 620 583 A 69 ASN HBy A 69 ASN HA 1.0 1.752 3.434 621 584 A 59 CYS H A 58 ALA HA 1.0 1.713 3.255 622 585 A 58 ALA H A 58 ALA HA 1.0 1.748 3.414 623 586 A 75 ILE HD1% A 72 SER HA 1.0 1.907 4.367 624 587 A 72 SER HB2 A 72 SER HA 1.0 1.580 2.752 625 588 A 72 SER H A 72 SER HA 1.0 1.738 3.366 626 589 A 24 LEU HG A 24 LEU HDx% 1.0 1.714 3.262 627 590 A 24 LEU HA A 24 LEU HG 1.0 1.857 4.005 628 591 A 24 LEU HG A 24 LEU H 1.0 1.873 4.109 629 592 A 16 ASN HBx A 16 ASN HA 1.0 1.709 3.237 630 593 A 15 GLN HGx A 16 ASN HA 1.0 1.907 4.373 631 594 A 16 ASN HBy A 16 ASN HA 1.0 1.611 2.859 632 595 A 17 VAL HGy% A 16 ASN HA 1.0 1.897 4.293 633 596 A 17 VAL H A 16 ASN HA 1.0 1.483 2.449 634 597 A 16 ASN H A 16 ASN HA 1.0 1.758 3.462 635 598 A 71 VAL HB A 71 VAL HA 1.0 1.733 3.343 636 599 A 75 ILE HD1% A 71 VAL HA 1.0 1.958 4.884 637 600 A 60 SER HBy A 60 SER HBx 1.0 1.329 2.037 638 601 A 72 SER H A 71 VAL HA 1.0 1.645 2.987 639 602 A 65 CYS HBx A 65 CYS HBy 1.0 1.435 2.313 640 603 A 80 LEU HBy A 65 CYS HBx 1.0 1.859 4.023 641 604 A 65 CYS HBx A 82 VAL HGy% 1.0 1.824 3.804 642 605 A 65 CYS HBx A 65 CYS H 1.0 1.734 3.346 643 606 A 69 ASN HBx A 69 ASN HD21 1.0 1.870 4.094 644 607 A 64 VAL HGy% A 63 ALA HA 1.0 1.724 3.302 645 608 A 63 ALA H A 63 ALA HA 1.0 1.793 3.633 646 609 A 64 VAL H A 63 ALA HA 1.0 1.502 2.504 647 610 A 60 SER HBx A 60 SER HA 1.0 1.625 2.911 648 611 A 60 SER HBy A 60 SER HA 1.0 1.610 2.858 649 612 A 60 SER HA A 61 ALA H 1.0 1.811 3.727 650 613 A 43 ILE HG1y A 43 ILE HG2% 1.0 1.784 3.586 651 614 A 43 ILE H A 43 ILE HG1y 1.0 1.843 3.913 652 615 A 76 ALA HA A 71 VAL HG1% 1.0 1.881 4.163 653 616 A 77 ILE H A 76 ALA HA 1.0 1.526 2.578 654 617 A 39 PRO HDy A 39 PRO HA 1.0 1.849 3.949 655 618 A 39 PRO HBx A 39 PRO HA 1.0 1.526 2.582 656 619 A 39 PRO HA A 39 PRO HBy 1.0 1.655 3.019 657 620 A 36 LEU HBx A 39 PRO HA 1.0 1.691 3.161 658 621 A 36 LEU HBy A 39 PRO HA 1.0 1.741 3.379 659 622 A 39 PRO HA A 36 LEU HDy% 1.0 1.570 2.720 660 623 A 43 ILE HB A 43 ILE HA 1.0 1.659 3.039 661 624 A 43 ILE HG2% A 43 ILE HA 1.0 1.582 2.760 662 625 A 42 LEU HA A 43 ILE HA 1.0 1.900 4.304 663 626 A 44 GLY H A 43 ILE HA 1.0 1.572 2.726 664 627 A 43 ILE H A 43 ILE HA 1.0 1.778 3.558 665 628 A 43 ILE HA A 78 GLY H 1.0 1.799 3.667 666 629 A 44 GLY HAx A 43 ILE HA 1.0 1.917 4.455 667 630 A 63 ALA HB% A 82 VAL HGx% 1.0 1.516 2.550 668 631 A 63 ALA HB% A 64 VAL H 1.0 1.737 3.359 669 632 A 63 ALA HB% A 63 ALA HA 1.0 1.526 2.578 670 633 A 34 ILE HB A 34 ILE HA 1.0 1.761 3.471 671 634 A 34 ILE HG1x A 34 ILE HA 1.0 1.768 3.510 672 635 A 34 ILE HG1y A 34 ILE HA 1.0 1.706 3.224 673 636 A 34 ILE HG2% A 34 ILE HA 1.0 1.609 2.855 674 637 A 35 VAL H A 34 ILE HA 1.0 1.478 2.436 675 638 A 34 ILE H A 34 ILE HA 1.0 1.802 3.680 676 639 A 2 SER HA A 2 SER HB2 1.0 1.569 2.715 677 640 A 74 VAL HB A 74 VAL H 1.0 1.834 3.860 678 641 A 16 ASN HBx A 45 ASP HBy 1.0 1.630 2.926 679 642 A 45 ASP H A 45 ASP HBy 1.0 1.635 2.949 680 643 A 16 ASN HD22 A 45 ASP HBy 1.0 1.820 3.780 681 644 A 18 VAL HGy% A 25 GLY HAy 1.0 1.739 3.373 682 645 A 18 VAL HGy% A 43 ILE HG1y 1.0 1.749 3.417 683 646 A 18 VAL HGy% A 43 ILE HG1x 1.0 1.759 3.467 684 647 A 18 VAL HGy% A 18 VAL HB 1.0 1.577 2.745 685 648 A 18 VAL HGy% A 18 VAL H 1.0 1.592 2.796 686 649 A 34 ILE HG2% A 35 VAL H 1.0 1.656 3.026 687 650 A 50 ILE HG2% A 50 ILE HA 1.0 1.619 2.889 688 651 A 50 ILE HG2% A 50 ILE HB 1.0 1.503 2.511 689 652 A 75 ILE HB A 75 ILE HG2% 1.0 1.520 2.560 690 653 A 34 ILE HB A 34 ILE HG2% 1.0 1.483 2.449 691 654 A 18 VAL HGy% A 18 VAL HGx% 1.0 1.469 2.411 692 655 A 43 ILE HD1% A 25 GLY HAy 1.0 1.812 3.734 693 656 A 72 SER HB2 A 34 ILE HD1% 1.0 1.799 3.665 694 657 A 29 LEU HBx A 43 ILE HD1% 1.0 1.667 3.069 695 658 A 29 LEU HBy A 43 ILE HD1% 1.0 1.799 3.665 696 659 A 75 ILE HB A 75 ILE HD1% 1.0 1.653 3.011 697 660 A 29 LEU HBy A 34 ILE HD1% 1.0 1.711 3.249 698 661 A 34 ILE HB A 34 ILE HD1% 1.0 1.568 2.714 699 662 A 42 LEU HDx% A 81 PRO HDy 1.0 1.631 2.933 700 663 A 42 LEU HBy A 42 LEU HDx% 1.0 1.597 2.813 701 664 A 42 LEU HG A 42 LEU HDx% 1.0 1.519 2.559 702 665 A 24 LEU HG A 24 LEU HDy% 1.0 1.466 2.398 703 666 A 79 CYS HBx A 64 VAL HGy% 1.0 1.688 3.152 704 667 A 64 VAL HGy% A 12 GLN HBy 1.0 1.763 3.483 705 668 A 64 VAL HGy% A 64 VAL HB 1.0 1.574 2.732 706 669 A 64 VAL HGy% A 12 GLN HGy 1.0 1.630 2.928 707 670 A 64 VAL HGy% A 64 VAL H 1.0 1.536 2.610 708 671 A 75 ILE HG1y A 71 VAL HG1% 1.0 1.684 3.136 709 672 A 71 VAL HB A 71 VAL HG1% 1.0 1.435 2.313 710 673 A 71 VAL HA A 71 VAL HG1% 1.0 1.511 2.533 711 674 A 71 VAL H A 71 VAL HG1% 1.0 1.662 3.050 712 675 A 52 VAL HGy% A 52 VAL H 1.0 1.806 3.702 713 676 A 80 LEU HDx% A 81 PRO HDx 1.0 1.712 3.252 714 677 A 24 LEU HA A 24 LEU HDx% 1.0 1.540 2.624 715 678 A 24 LEU HBx A 24 LEU HDx% 1.0 1.539 2.621 716 679 A 80 LEU HDx% A 80 LEU HA 1.0 1.530 2.592 717 680 A 28 LEU HA A 28 LEU HDx% 1.0 1.809 3.717 718 681 A 25 GLY HAx A 28 LEU HDx% 1.0 1.801 3.675 719 682 A 45 ASP HBy A 28 LEU HDx% 1.0 1.614 2.874 720 683 A 28 LEU HBy A 28 LEU HDx% 1.0 1.619 2.891 721 684 A 28 LEU HBx A 28 LEU HDx% 1.0 1.648 2.994 722 685 A 28 LEU HG A 28 LEU HDx% 1.0 1.595 2.803 723 686 A 79 CYS HBx A 64 VAL HGx% 1.0 1.685 3.137 724 687 A 64 VAL HGx% A 64 VAL HB 1.0 1.557 2.679 725 688 A 64 VAL HGx% A 82 VAL H 1.0 1.793 3.635 726 689 A 64 VAL HGx% A 64 VAL HA 1.0 1.555 2.673 727 690 A 75 ILE HG1y A 75 ILE HG2% 1.0 1.620 2.894 728 691 A 50 ILE HG2% A 50 ILE HG1x 1.0 1.575 2.737 729 692 A 75 ILE HG1x A 75 ILE HG2% 1.0 1.562 2.694 730 693 A 50 ILE HG2% A 51 THR H 1.0 1.828 3.828 731 694 A 41 VAL HGx% A 78 GLY HAx 1.0 1.784 3.590 732 695 A 38 ASP HBy A 41 VAL HGx% 1.0 1.720 3.288 733 696 A 41 VAL HB A 41 VAL HGx% 1.0 1.502 2.508 734 697 A 41 VAL HGx% A 41 VAL H 1.0 1.549 2.651 735 698 A 36 LEU HBx A 36 LEU HDx% 1.0 1.666 3.064 736 699 A 36 LEU HBy A 36 LEU HDx% 1.0 1.613 2.867 737 700 A 28 LEU HA A 28 LEU HDy% 1.0 1.500 2.502 738 701 A 28 LEU HG A 28 LEU HDy% 1.0 1.564 2.700 739 702 A 28 LEU HBx A 28 LEU HDy% 1.0 1.627 2.919 740 703 A 36 LEU HG A 36 LEU HDx% 1.0 1.515 2.547 741 704 A 27 LEU HDy% A 27 LEU HA 1.0 1.650 3.004 742 705 A 27 LEU HDy% A 27 LEU HG 1.0 1.532 2.600 743 706 A 77 ILE HG1x A 77 ILE HD1% 1.0 1.575 2.735 744 707 A 77 ILE HB A 77 ILE HD1% 1.0 1.677 3.107 745 708 A 34 ILE HB A 29 LEU HDx% 1.0 1.604 2.836 746 709 A 29 LEU HG A 29 LEU HDx% 1.0 1.520 2.560 747 710 A 29 LEU HBy A 29 LEU HDx% 1.0 1.568 2.714 748 711 A 11 ILE HG2% A 11 ILE HB 1.0 1.509 2.525 749 712 A 35 VAL HGx% A 35 VAL HB 1.0 1.492 2.476 750 713 A 52 VAL HB A 52 VAL HGx% 1.0 1.628 2.920 751 714 A 35 VAL HGx% A 35 VAL H 1.0 1.661 3.045 752 715 A 36 LEU HBy A 36 LEU HDy% 1.0 1.640 2.964 753 716 A 36 LEU HBx A 36 LEU HDy% 1.0 1.644 2.982 754 717 A 36 LEU HG A 36 LEU HDy% 1.0 1.488 2.464 755 718 A 84 LEU HDx% A 83 THR HG2% 1.0 1.672 3.088 756 719 A 35 VAL HGy% A 35 VAL HA 1.0 1.585 2.769 757 720 A 35 VAL HGy% A 35 VAL HB 1.0 1.516 2.550 758 721 A 35 VAL HGy% A 36 LEU H 1.0 1.700 3.200 759 722 A 43 ILE HB A 75 ILE HD1% 1.0 1.850 3.960 760 723 A 75 ILE HD1% A 75 ILE HG1y 1.0 1.558 2.680 761 724 A 75 ILE HG1x A 75 ILE HD1% 1.0 1.611 2.861 762 725 A 34 ILE HG1x A 34 ILE HD1% 1.0 1.492 2.476 763 726 A 34 ILE H A 34 ILE HD1% 1.0 1.873 4.117 764 727 A 50 ILE HD1% A 50 ILE HA 1.0 1.842 3.910 765 728 A 59 CYS HBx A 50 ILE HD1% 1.0 1.686 3.144 766 729 A 50 ILE HD1% A 13 CYS HBx 1.0 1.720 3.286 767 730 A 50 ILE HD1% A 50 ILE HB 1.0 1.650 3.006 768 731 A 50 ILE HD1% A 50 ILE HG1x 1.0 1.555 2.669 769 732 A 63 ALA HB% A 50 ILE HD1% 1.0 1.672 3.088 770 733 A 50 ILE HD1% A 50 ILE HG1y 1.0 1.614 2.872 771 734 A 77 ILE HG2% A 77 ILE HG1y 1.0 1.659 3.037 772 735 A 77 ILE HG1y A 77 ILE HD1% 1.0 1.568 2.712 773 736 A 77 ILE HB A 77 ILE HG1y 1.0 1.789 3.613 774 737 A 77 ILE HG1x A 77 ILE HG1y 1.0 1.444 2.338 775 738 A 11 ILE HD1% A 11 ILE HB 1.0 1.662 3.048 776 739 A 11 ILE HG1x A 11 ILE HD1% 1.0 1.589 2.785 777 740 A 18 VAL HGy% A 18 VAL HA 1.0 1.796 3.652 778 741 A 11 ILE HD1% A 11 ILE HG1y 1.0 1.639 2.965 779 742 A 11 ILE HG2% A 11 ILE HG1y 1.0 1.721 3.287 780 743 A 11 ILE HB A 11 ILE HG1y 1.0 1.790 3.620 781 744 A 11 ILE HG1x A 11 ILE HG1y 1.0 1.486 2.460 782 745 A 74 VAL HGx% A 74 VAL HA 1.0 1.673 3.091 783 746 A 46 GLY HAy A 74 VAL HGx% 1.0 1.773 3.533 784 747 A 74 VAL HGx% A 74 VAL HB 1.0 1.521 2.565 785 748 A 74 VAL HGx% A 74 VAL H 1.0 1.610 2.860 786 749 A 42 LEU HBx A 42 LEU HDy% 1.0 1.628 2.922 787 750 A 42 LEU HG A 42 LEU HBx 1.0 1.832 3.850 788 751 A 32 LEU HBy A 32 LEU HDy% 1.0 1.607 2.847 789 752 A 17 VAL HGy% A 62 THR HB 1.0 1.598 2.818 790 753 A 82 VAL HGy% A 82 VAL HB 1.0 1.539 2.619 791 754 A 17 VAL HGy% A 14 CYS HBy 1.0 1.676 3.104 792 755 A 17 VAL HGy% A 14 CYS HBx 1.0 1.588 2.778 793 756 A 17 VAL HGy% A 17 VAL HB 1.0 1.508 2.526 794 757 A 17 VAL HGy% A 17 VAL HA 1.0 1.566 2.706 795 758 A 17 VAL HGy% A 17 VAL H 1.0 1.680 3.120 796 759 A 43 ILE HG2% A 77 ILE HA 1.0 1.687 3.151 797 760 A 43 ILE HB A 43 ILE HG2% 1.0 1.531 2.595 798 761 A 43 ILE HG1x A 43 ILE HG2% 1.0 1.597 2.813 799 762 A 43 ILE HG2% A 78 GLY H 1.0 1.742 3.386 800 763 A 43 ILE HD1% A 43 ILE HG1x 1.0 1.638 2.960 801 764 A 43 ILE HD1% A 43 ILE HA 1.0 1.879 4.153 802 765 A 17 VAL HB A 17 VAL HGx% 1.0 1.501 2.503 803 766 A 42 LEU HA A 42 LEU HDy% 1.0 1.565 2.705 804 767 A 19 PRO HDx A 42 LEU HDy% 1.0 1.729 3.323 805 768 A 42 LEU HDy% A 19 PRO HGx 1.0 1.654 3.018 806 769 A 42 LEU HG A 42 LEU HDy% 1.0 1.533 2.601 807 770 A 43 ILE H A 42 LEU HDy% 1.0 1.765 3.497 808 771 A 18 VAL H A 17 VAL HGx% 1.0 1.679 3.117 809 772 A 17 VAL HA A 17 VAL HGx% 1.0 1.582 2.760 810 773 A 29 LEU HDy% A 29 LEU HDx% 1.0 1.523 2.571 811 774 A 29 LEU HDy% A 26 THR HA 1.0 1.705 3.221 812 775 A 29 LEU HDy% A 20 GLY HAx 1.0 1.861 4.027 813 776 A 29 LEU HDy% A 29 LEU HBy 1.0 1.633 2.937 814 777 A 29 LEU HDy% A 34 ILE HB 1.0 1.655 3.021 815 778 A 74 VAL HB A 74 VAL HGy% 1.0 1.521 2.563 816 779 A 74 VAL HGy% A 74 VAL H 1.0 1.741 3.381 817 780 A 84 LEU HDy% A 84 LEU HA 1.0 1.583 2.765 818 781 A 84 LEU HG A 84 LEU HDy% 1.0 1.512 2.536 819 782 A 84 LEU HDy% A 83 THR HG2% 1.0 1.706 3.228 820 783 A 41 VAL HGy% A 78 GLY HAx 1.0 1.737 3.363 821 784 A 41 VAL HB A 41 VAL HGy% 1.0 1.519 2.559 822 785 A 41 VAL HGy% A 78 GLY H 1.0 1.730 3.328 823 786 A 41 VAL HGy% A 41 VAL H 1.0 1.536 2.610 824 787 A 77 ILE HB A 77 ILE HG2% 1.0 1.506 2.518 825 788 A 69 ASN HBx A 69 ASN HA 1.0 1.705 3.223 826 789 A 82 VAL HB A 82 VAL HGx% 1.0 1.565 2.701 827 790 A 83 THR H A 82 VAL HGx% 1.0 1.826 3.814 828 791 A 64 VAL H A 82 VAL HGx% 1.0 1.789 3.613 829 792 A 82 VAL H A 82 VAL HGx% 1.0 1.619 2.891 830 793 A 64 VAL HA A 82 VAL HGx% 1.0 1.726 3.310 831 794 A 42 LEU H A 41 VAL HGx% 1.0 1.810 3.722 832 795 A 34 ILE HG1y A 34 ILE HD1% 1.0 1.513 2.539 833 796 A 34 ILE HB A 34 ILE HG1y 1.0 1.721 3.289 834 797 A 34 ILE HG1x A 34 ILE HG1y 1.0 1.466 2.400 835 798 A 27 LEU HDx% A 27 LEU HA 1.0 1.705 3.223 836 799 A 27 LEU HDx% A 27 LEU HBx 1.0 1.624 2.908 837 800 A 49 PRO HBy A 49 PRO HA 1.0 1.631 2.931 838 801 A 74 VAL HGy% A 74 VAL HA 1.0 1.565 2.703 839 802 A 40 THR HG2% A 40 THR HA 1.0 1.541 2.625 840 803 A 50 ILE HG2% A 51 THR HA 1.0 1.853 3.979 841 804 A 51 THR HA A 52 VAL H 1.0 1.655 3.025 842 805 A 63 ALA H A 62 THR HA 1.0 1.471 2.415 843 806 A 49 PRO HA A 50 ILE H 1.0 1.479 2.439 844 807 A 40 THR HA A 21 ASP H 1.0 1.862 4.034 845 808 A 40 THR H A 40 THR HA 1.0 1.752 3.434 846 809 A 41 VAL H A 40 THR HA 1.0 1.852 3.974 847 810 A 41 VAL H A 39 PRO HA 1.0 1.850 3.958 848 811 A 47 CYS HBx A 12 GLN HGy 1.0 1.909 4.385 849 812 A 50 ILE HG1x A 13 CYS HBy 1.0 1.940 4.676 850 813 A 50 ILE HG1y A 13 CYS HBy 1.0 1.921 4.487 851 814 A 50 ILE HG2% A 13 CYS HBy 1.0 1.924 4.510 852 815 A 14 CYS HBy A 15 GLN HA 1.0 1.941 4.689 853 816 A 14 CYS HBx A 62 THR HB 1.0 1.916 4.444 854 817 A 32 LEU HA A 32 LEU HDx% 1.0 1.462 2.388 855 818 A 11 ILE HB A 11 ILE HA 1.0 1.802 3.682 856 819 A 6 CYS HBy A 11 ILE HG1y 1.0 1.901 4.325 857 820 A 74 VAL HB A 74 VAL HA 1.0 1.639 2.963 858 821 A 19 PRO HBy A 19 PRO HA 1.0 1.801 3.675 859 822 A 12 GLN HBy A 12 GLN HA 1.0 1.785 3.591 860 823 A 68 ASP HBx A 68 ASP HA 1.0 1.751 3.425 861 824 A 68 ASP HBy A 68 ASP HA 1.0 1.749 3.415 862 825 A 18 VAL HGx% A 18 VAL HA 1.0 1.545 2.639 863 826 A 50 ILE HD1% A 13 CYS HBy 1.0 1.868 4.080 864 827 A 59 CYS HBx A 50 ILE HG1y 1.0 1.964 4.954 865 828 A 61 ALA HB% A 61 ALA HA 1.0 1.519 2.557 866 829 A 15 GLN HB2 A 61 ALA HB% 1.0 1.861 4.025 867 830 A 15 GLN HGx A 61 ALA HB% 1.0 1.948 4.764 868 831 A 43 ILE HD1% A 18 VAL HGy% 1.0 1.729 3.323 869 832 A 43 ILE HG1x A 20 GLY HAx 1.0 1.937 4.645 870 833 A 43 ILE HG1y A 43 ILE HA 1.0 1.929 4.563 871 834 A 43 ILE HG1x A 43 ILE HA 1.0 1.925 4.521 872 835 A 65 CYS HA A 11 ILE HA 1.0 1.701 3.205 873 836 A 64 VAL HA A 81 PRO HA 1.0 1.654 3.018 874 837 A 18 VAL HGy% A 16 ASN HBy 1.0 1.835 3.871 875 838 A 43 ILE H A 18 VAL HGy% 1.0 1.900 4.308 876 839 A 64 VAL HGx% A 81 PRO HBy 1.0 1.819 3.773 877 840 A 64 VAL HGx% A 81 PRO HA 1.0 1.541 2.627 878 841 A 64 VAL HGx% A 62 THR HB 1.0 1.891 4.241 879 842 A 64 VAL HGx% A 81 PRO HDy 1.0 1.877 4.139 880 843 A 11 ILE HD1% A 11 ILE HA 1.0 1.811 3.727 881 844 A 4 GLY HAx A 11 ILE HD1% 1.0 1.900 4.310 882 845 A 11 ILE HD1% A 12 GLN H 1.0 1.933 4.605 883 846 A 11 ILE HD1% A 65 CYS HA 1.0 1.924 4.522 884 847 A 50 ILE HD1% A 12 GLN HA 1.0 1.891 4.243 885 848 A 50 ILE HD1% A 63 ALA HA 1.0 1.885 4.193 886 849 A 77 ILE H A 77 ILE HD1% 1.0 1.861 4.031 887 850 A 75 ILE HD1% A 76 ALA H 1.0 1.919 4.477 888 851 A 75 ILE HD1% A 75 ILE H 1.0 1.916 4.450 889 852 A 43 ILE HD1% A 43 ILE HG1y 1.0 1.600 2.824 890 853 A 76 ALA HA A 71 VAL HA 1.0 1.921 4.485 891 854 A 77 ILE HG1x A 76 ALA HA 1.0 1.855 3.985 892 855 A 77 ILE HG2% A 78 GLY HAx 1.0 1.843 3.913 893 856 A 63 ALA HB% A 82 VAL H 1.0 1.904 4.340 894 857 A 63 ALA HB% A 62 THR HA 1.0 1.851 3.963 895 858 A 63 ALA HB% A 82 VAL HB 1.0 1.836 3.872 896 859 A 53 ALA HB% A 54 GLY H 1.0 1.899 4.303 897 860 A 61 ALA HB% A 15 GLN HE22 1.0 1.871 4.103 898 861 A 74 VAL HGx% A 46 GLY H 1.0 1.870 4.090 899 862 A 74 VAL HGx% A 75 ILE H 1.0 1.789 3.611 900 863 A 65 CYS HBy A 82 VAL HGx% 1.0 1.788 3.604 901 864 A 65 CYS HBx A 82 VAL HGx% 1.0 1.833 3.855 902 865 A 82 VAL HA A 82 VAL HGx% 1.0 1.707 3.227 903 866 A 44 GLY HAx A 76 ALA HB% 1.0 1.853 3.983 904 867 A 76 ALA HB% A 12 GLN HE22 1.0 1.897 4.289 905 868 A 12 GLN HE21 A 76 ALA HB% 1.0 1.934 4.608 906 869 A 49 PRO HGy A 48 ASP HA 1.0 1.936 4.632 907 870 A 49 PRO HGy A 49 PRO HA 1.0 1.908 4.372 908 871 A 49 PRO HBx A 49 PRO HA 1.0 1.684 3.134 909 872 A 80 LEU HBy A 65 CYS HBy 1.0 1.899 4.301 910 873 A 18 VAL HGx% A 16 ASN HA 1.0 1.905 4.347 911 874 A 11 ILE HG1y A 11 ILE HA 1.0 1.791 3.623 912 875 A 11 ILE HG1x A 11 ILE HA 1.0 1.797 3.655 913 876 A 11 ILE HG1x A 6 CYS HBx 1.0 1.937 4.647 914 877 A 6 CYS HBx A 11 ILE HG1y 1.0 1.938 4.652 915 878 A 21 ASP HA A 20 GLY HAy 1.0 1.963 4.951 916 879 A 20 GLY HAy A 19 PRO HA 1.0 1.949 4.777 917 880 A 39 PRO HDx A 38 ASP H 1.0 1.960 4.912 918 881 A 38 ASP H A 39 PRO HDy 1.0 1.933 4.595 919 882 A 40 THR H A 39 PRO HDy 1.0 1.902 4.322 920 883 A 51 THR H A 51 THR HA 1.0 1.749 3.419 921 884 A 64 VAL HGy% A 13 CYS HA 1.0 1.785 3.591 922 885 A 74 VAL HGy% A 73 GLY HAx 1.0 1.833 3.851 923 886 A 46 GLY HAy A 74 VAL HGy% 1.0 1.926 4.538 924 887 A 74 VAL HGy% A 73 GLY HAy 1.0 1.862 4.034 925 888 A 74 VAL HGx% A 73 GLY HAy 1.0 1.897 4.289 926 889 A 74 VAL HGy% A 75 ILE H 1.0 1.866 4.068 927 890 A 38 ASP HBx A 41 VAL HGx% 1.0 1.815 3.751 928 891 A 78 GLY HAy A 41 VAL HGx% 1.0 1.827 3.819 929 892 A 40 THR H A 41 VAL HGx% 1.0 1.823 3.793 930 893 A 62 THR HG2% A 62 THR H 1.0 1.853 3.977 931 894 A 82 VAL H A 82 VAL HGy% 1.0 1.710 3.242 932 895 A 65 CYS HBy A 82 VAL HGy% 1.0 1.717 3.273 933 896 A 29 LEU HDy% A 29 LEU H 1.0 1.760 3.468 934 897 A 41 VAL HGy% A 39 PRO HA 1.0 1.752 3.430 935 898 A 49 PRO HDx A 48 ASP HBx 1.0 1.929 4.561 936 899 A 43 ILE HG1y A 20 GLY HAx 1.0 1.950 4.788 937 900 A 79 CYS H A 77 ILE HA 1.0 1.869 4.079 938 901 A 73 GLY HAx A 73 GLY HAy 1.0 1.389 2.189 939 902 A 49 PRO HBy A 51 THR HG2% 1.0 1.922 4.500 940 903 A 52 VAL HB A 51 THR HG2% 1.0 1.867 4.071 941 904 A 51 THR HG2% A 52 VAL H 1.0 1.900 4.314 942 905 A 69 ASN HBx A 69 ASN HD22 1.0 1.910 4.396 943 906 A 22 SER HBy A 18 VAL HB 1.0 1.934 4.618 944 907 A 22 SER HBy A 19 PRO HBy 1.0 1.901 4.319 945 908 A 22 SER HBy A 18 VAL HGy% 1.0 1.973 5.087 946 909 A 22 SER HBx A 18 VAL HGy% 1.0 1.971 5.071 947 910 A 22 SER HBx A 19 PRO HA 1.0 1.918 4.464 948 911 A 22 SER HBy A 19 PRO HA 1.0 1.888 4.220 949 912 A 19 PRO HBx A 19 PRO HA 1.0 1.666 3.062 950 913 A 79 CYS HBx A 65 CYS H 1.0 1.949 4.769 951 914 A 41 VAL HB A 78 GLY H 1.0 1.929 4.565 952 915 A 41 VAL HB A 77 ILE HG2% 1.0 1.872 4.100 953 916 A 44 GLY HAx A 14 CYS HBy 1.0 1.936 4.638 954 917 A 44 GLY HAy A 14 CYS HBy 1.0 1.928 4.552 955 918 A 47 CYS HBy A 14 CYS HA 1.0 1.910 4.398 956 919 A 47 CYS HBx A 14 CYS HA 1.0 1.929 4.561 957 920 A 46 GLY HAy A 74 VAL HB 1.0 1.921 4.483 958 921 A 46 GLY HAx A 74 VAL HB 1.0 1.921 4.495 959 922 A 46 GLY HAx A 15 GLN HGx 1.0 1.928 4.562 960 923 A 79 CYS HA A 64 VAL HB 1.0 1.903 4.329 961 924 A 3 TRP HA A 51 THR HA 1.0 1.811 3.731 962 925 A 3 TRP HA A 51 THR HB 1.0 1.891 4.241 963 926 A 3 TRP HA A 3 TRP HE3 1.0 1.879 4.155 964 927 A 41 VAL HGx% A 39 PRO HA 1.0 1.933 4.601 965 928 A 10 SER HBx A 10 SER HA 1.0 1.639 2.963 966 929 A 10 SER HBy A 12 GLN HE22 1.0 1.885 4.193 967 930 A 12 GLN HE21 A 10 SER HBy 1.0 1.953 4.815 968 931 A 37 GLU HBy A 36 LEU HA 1.0 1.935 4.631 969 932 A 38 ASP HBy A 37 GLU HBy 1.0 1.960 4.904 970 933 A 47 CYS HBy A 46 GLY HAy 1.0 1.970 5.050 971 934 A 47 CYS HBy A 46 GLY HAx 1.0 1.966 4.986 972 935 A 42 LEU HBx A 42 LEU H 1.0 1.879 4.151 973 936 A 42 LEU HBx A 43 ILE H 1.0 1.852 3.972 974 937 A 65 CYS HA A 64 VAL HB 1.0 1.924 4.514 975 938 A 64 VAL HB A 81 PRO HA 1.0 1.963 4.957 976 939 A 37 GLU HGy A 37 GLU H 1.0 1.954 4.832 977 940 A 40 THR HB A 41 VAL H 1.0 1.969 5.045 978 941 A 19 PRO HDy A 19 PRO HBx 1.0 1.916 4.446 979 942 A 40 THR HA A 19 PRO HBx 1.0 1.935 4.631 980 943 A 22 SER HBx A 23 ASP H 1.0 1.936 4.628 981 944 A 22 SER HBx A 19 PRO HBx 1.0 1.933 4.603 982 945 A 81 PRO HBy A 81 PRO HA 1.0 1.633 2.941 983 946 A 81 PRO HBx A 81 PRO HA 1.0 1.767 3.503 984 947 A 12 GLN HGy A 11 ILE HA 1.0 1.866 4.066 985 948 A 39 PRO HDy A 39 PRO HBy 1.0 1.887 4.217 986 949 A 39 PRO HDx A 39 PRO HBy 1.0 1.925 4.529 987 950 A 19 PRO HGy A 18 VAL HA 1.0 1.940 4.676 988 951 A 19 PRO HGy A 19 PRO HA 1.0 1.945 4.727 989 952 A 19 PRO HGx A 19 PRO HA 1.0 1.809 3.717 990 953 A 11 ILE HG1x A 12 GLN H 1.0 1.952 4.812 991 954 A 50 ILE HG1y A 50 ILE H 1.0 1.862 4.034 992 955 A 50 ILE HG1y A 13 CYS H 1.0 1.971 5.059 993 956 A 25 GLY H A 24 LEU HBy 1.0 1.881 4.163 994 957 A 45 ASP H A 16 ASN HBx 1.0 1.883 4.185 995 958 A 28 LEU HG A 24 LEU HDx% 1.0 1.647 2.993 996 959 A 46 GLY HAy A 15 GLN HGy 1.0 1.869 4.081 997 960 A 46 GLY HAy A 15 GLN HGx 1.0 1.880 4.166 998 961 A 57 ASP HA A 57 ASP H 1.0 1.785 3.589 999 962 A 57 ASP H A 56 SER HBy 1.0 1.929 4.569 1000 963 A 57 ASP H A 56 SER HA 1.0 1.798 3.662 1001 964 A 57 ASP HBx A 57 ASP H 1.0 1.758 3.456 1002 965 A 57 ASP H A 56 SER H 1.0 1.963 4.945 1003 966 A 69 ASN HBy A 69 ASN HD22 1.0 1.912 4.410 1004 967 A 70 ASN HBx A 70 ASN HD21 1.0 1.947 4.753 1005 968 A 70 ASN HBy A 70 ASN HD21 1.0 1.921 4.497 1006 969 A 12 GLN HBy A 12 GLN H 1.0 1.852 3.970 1007 970 A 11 ILE HB A 12 GLN H 1.0 1.905 4.351 1008 971 A 12 GLN HGy A 12 GLN H 1.0 1.795 3.647 1009 972 A 11 ILE HG1y A 12 GLN H 1.0 1.935 4.625 1010 973 A 11 ILE HG2% A 12 GLN H 1.0 1.664 3.056 1011 974 A 12 GLN H A 11 ILE H 1.0 1.991 5.463 1012 975 A 65 CYS HA A 12 GLN H 1.0 1.930 4.570 1013 976 A 66 CYS H A 12 GLN H 1.0 1.985 5.321 1014 977 A 16 ASN HD22 A 16 ASN HBy 1.0 1.822 3.792 1015 978 A 16 ASN H A 15 GLN HA 1.0 1.878 4.146 1016 979 A 16 ASN H A 16 ASN HBy 1.0 1.765 3.495 1017 980 A 17 VAL HGy% A 16 ASN H 1.0 1.936 4.632 1018 981 A 16 ASN HD22 A 16 ASN HBx 1.0 1.781 3.571 1019 982 A 14 CYS HA A 16 ASN H 1.0 1.889 4.225 1020 983 A 16 ASN HD22 A 16 ASN HD21 1.0 1.333 2.047 1021 984 A 16 ASN H A 45 ASP H 1.0 1.817 3.763 1022 985 A 24 LEU H A 23 ASP HBx 1.0 1.684 3.136 1023 986 A 24 LEU H A 24 LEU HDx% 1.0 1.889 4.221 1024 987 A 22 SER HBx A 24 LEU H 1.0 1.893 4.255 1025 988 A 24 LEU H A 24 LEU HBy 1.0 1.644 2.982 1026 989 A 70 ASN HBx A 70 ASN H 1.0 1.874 4.122 1027 990 A 70 ASN HBy A 70 ASN H 1.0 1.763 3.483 1028 991 A 69 ASN H A 68 ASP HBy 1.0 1.942 4.690 1029 992 A 72 SER H A 71 VAL HG1% 1.0 1.822 3.794 1030 993 A 42 LEU HBy A 42 LEU H 1.0 1.750 3.420 1031 994 A 42 LEU H A 42 LEU HDx% 1.0 1.825 3.809 1032 995 A 42 LEU H A 42 LEU HDy% 1.0 1.904 4.338 1033 996 A 24 LEU H A 23 ASP H 1.0 1.844 3.920 1034 997 A 27 LEU HDx% A 28 LEU H 1.0 1.925 4.527 1035 998 A 26 THR HA A 28 LEU H 1.0 1.878 4.142 1036 999 A 28 LEU H A 25 GLY HAx 1.0 1.939 4.663 1037 1000 A 28 LEU HBy A 28 LEU H 1.0 1.628 2.922 1038 1001 A 28 LEU HG A 28 LEU H 1.0 1.584 2.768 1039 1002 A 28 LEU H A 28 LEU HDy% 1.0 1.853 3.981 1040 1003 A 27 LEU HA A 31 GLU H 1.0 1.942 4.696 1041 1004 A 31 GLU H A 30 ASP HBy 1.0 1.818 3.764 1042 1005 A 14 CYS HBx A 62 THR H 1.0 1.968 5.022 1043 1006 A 31 GLU HGx A 31 GLU H 1.0 1.841 3.901 1044 1007 A 31 GLU H A 31 GLU HBx 1.0 1.655 3.021 1045 1008 A 31 GLU H A 32 LEU HG 1.0 1.941 4.689 1046 1009 A 32 LEU HBy A 31 GLU H 1.0 1.895 4.275 1047 1010 A 61 ALA HB% A 62 THR H 1.0 1.516 2.546 1048 1011 A 28 LEU H A 28 LEU HDx% 1.0 1.935 4.625 1049 1012 A 29 LEU H A 28 LEU H 1.0 1.719 3.279 1050 1013 A 30 ASP H A 31 GLU H 1.0 1.711 3.249 1051 1014 A 28 LEU H A 26 THR H 1.0 1.945 4.725 1052 1015 A 9 GLY H A 8 THR HB 1.0 1.946 4.740 1053 1016 A 9 GLY H A 9 GLY HAx 1.0 1.768 3.508 1054 1017 A 9 GLY H A 8 THR HG2% 1.0 1.966 4.996 1055 1018 A 12 GLN HE21 A 12 GLN HBx 1.0 1.868 4.076 1056 1019 A 49 PRO HBx A 12 GLN HE21 1.0 1.992 5.520 1057 1020 A 12 GLN HE21 A 71 VAL HG1% 1.0 1.979 5.209 1058 1021 A 12 GLN HE21 A 12 GLN HE22 1.0 1.343 2.073 1059 1022 A 8 THR H A 8 THR HA 1.0 1.928 4.552 1060 1023 A 8 THR H A 8 THR HB 1.0 1.900 4.304 1061 1024 A 8 THR H A 8 THR HG2% 1.0 1.923 4.511 1062 1025 A 67 SER HBx A 67 SER H 1.0 1.734 3.348 1063 1026 A 66 CYS HA A 67 SER H 1.0 1.633 2.943 1064 1027 A 79 CYS HBy A 65 CYS H 1.0 1.959 4.897 1065 1028 A 80 LEU HBy A 65 CYS H 1.0 1.954 4.838 1066 1029 A 64 VAL HGy% A 65 CYS H 1.0 1.844 3.926 1067 1030 A 64 VAL HGx% A 65 CYS H 1.0 1.873 4.111 1068 1031 A 4 GLY H A 3 TRP HBy 1.0 1.972 5.082 1069 1032 A 4 GLY H A 11 ILE HD1% 1.0 2.000 5.954 1070 1033 A 53 ALA HA A 54 GLY H 1.0 1.803 3.689 1071 1034 A 34 ILE H A 33 GLY HAx 1.0 1.755 3.443 1072 1035 A 32 LEU HBy A 34 ILE H 1.0 1.859 4.019 1073 1036 A 34 ILE HB A 34 ILE H 1.0 1.658 3.034 1074 1037 A 34 ILE HG1x A 34 ILE H 1.0 1.816 3.756 1075 1038 A 34 ILE H A 34 ILE HG1y 1.0 1.875 4.127 1076 1039 A 34 ILE H A 34 ILE HG2% 1.0 1.828 3.822 1077 1040 A 34 ILE H A 30 ASP HA 1.0 1.972 5.072 1078 1041 A 29 LEU HBx A 34 ILE H 1.0 1.969 5.025 1079 1042 A 84 LEU HDx% A 84 LEU H 1.0 1.966 5.002 1080 1043 A 84 LEU H A 84 LEU HDy% 1.0 1.942 4.692 1081 1044 A 79 CYS H A 42 LEU HBx 1.0 1.900 4.310 1082 1045 A 79 CYS H A 78 GLY H 1.0 1.689 3.153 1083 1046 A 79 CYS H A 42 LEU H 1.0 1.924 4.510 1084 1047 A 42 LEU H A 78 GLY HAx 1.0 1.959 4.897 1085 1048 A 42 LEU HG A 42 LEU H 1.0 1.721 3.293 1086 1049 A 50 ILE HG1x A 51 THR H 1.0 1.993 5.525 1087 1050 A 50 ILE HG1y A 51 THR H 1.0 1.973 5.101 1088 1051 A 50 ILE HB A 51 THR H 1.0 1.930 4.570 1089 1052 A 50 ILE HD1% A 51 THR H 1.0 1.990 5.446 1090 1053 A 33 GLY H A 29 LEU HDx% 1.0 1.983 5.285 1091 1054 A 33 GLY H A 30 ASP HA 1.0 1.888 4.218 1092 1055 A 33 GLY H A 32 LEU HG 1.0 1.969 5.037 1093 1056 A 32 LEU HBy A 33 GLY H 1.0 1.860 4.022 1094 1057 A 32 LEU HBx A 33 GLY H 1.0 1.914 4.420 1095 1058 A 33 GLY H A 32 LEU HDx% 1.0 1.955 4.835 1096 1059 A 34 ILE H A 33 GLY H 1.0 1.716 3.270 1097 1060 A 33 GLY H A 32 LEU H 1.0 1.665 3.059 1098 1061 A 30 ASP H A 33 GLY H 1.0 1.981 5.225 1099 1062 A 22 SER HA A 25 GLY H 1.0 2.000 5.992 1100 1063 A 22 SER HBy A 25 GLY H 1.0 1.969 5.037 1101 1064 A 24 LEU HA A 25 GLY H 1.0 1.901 4.319 1102 1065 A 22 SER HBx A 25 GLY H 1.0 1.914 4.428 1103 1066 A 25 GLY H A 18 VAL HB 1.0 1.978 5.184 1104 1067 A 24 LEU HBx A 25 GLY H 1.0 1.783 3.583 1105 1068 A 25 GLY H A 24 LEU HDx% 1.0 1.938 4.656 1106 1069 A 25 GLY H A 24 LEU HDy% 1.0 1.989 5.407 1107 1070 A 18 VAL HGy% A 25 GLY H 1.0 1.797 3.657 1108 1071 A 24 LEU H A 25 GLY H 1.0 1.621 2.899 1109 1072 A 37 GLU H A 37 GLU HGx 1.0 1.912 4.408 1110 1073 A 37 GLU HBy A 37 GLU H 1.0 1.637 2.955 1111 1074 A 37 GLU H A 36 LEU HBx 1.0 1.947 4.749 1112 1075 A 37 GLU H A 36 LEU HBy 1.0 1.870 4.090 1113 1076 A 37 GLU H A 36 LEU HDx% 1.0 1.867 4.069 1114 1077 A 43 ILE HG1x A 44 GLY H 1.0 1.977 5.165 1115 1078 A 44 GLY H A 77 ILE HG1y 1.0 1.977 5.165 1116 1079 A 44 GLY H A 43 ILE HG2% 1.0 1.779 3.565 1117 1080 A 44 GLY H A 76 ALA H 1.0 1.832 3.852 1118 1081 A 74 VAL HA A 75 ILE H 1.0 1.885 4.197 1119 1082 A 75 ILE H A 73 GLY HAy 1.0 1.975 5.133 1120 1083 A 72 SER HB2 A 75 ILE H 1.0 1.927 4.539 1121 1084 A 74 VAL HB A 75 ILE H 1.0 1.894 4.266 1122 1085 A 75 ILE HG1x A 75 ILE H 1.0 1.827 3.817 1123 1086 A 75 ILE H A 75 ILE HG2% 1.0 1.790 3.620 1124 1087 A 75 ILE H A 76 ALA H 1.0 1.979 5.197 1125 1088 A 75 ILE H A 74 VAL H 1.0 1.675 3.097 1126 1089 A 76 ALA H A 77 ILE HA 1.0 1.998 6.274 1127 1090 A 76 ALA H A 77 ILE HG1y 1.0 1.961 4.925 1128 1091 A 44 GLY HAy A 76 ALA H 1.0 1.967 5.009 1129 1092 A 43 ILE HB A 76 ALA H 1.0 1.999 5.805 1130 1093 A 75 ILE HG1y A 76 ALA H 1.0 1.848 3.948 1131 1094 A 75 ILE HG1x A 76 ALA H 1.0 1.921 4.495 1132 1095 A 76 ALA H A 75 ILE HG2% 1.0 1.733 3.345 1133 1096 A 76 ALA H A 45 ASP HA 1.0 1.938 4.652 1134 1097 A 76 ALA H A 76 ALA HA 1.0 1.850 3.958 1135 1098 A 29 LEU HG A 29 LEU H 1.0 1.534 2.606 1136 1099 A 29 LEU H A 29 LEU HDx% 1.0 1.848 3.952 1137 1100 A 69 ASN HBy A 69 ASN HD21 1.0 1.815 3.751 1138 1101 A 69 ASN HD21 A 69 ASN HD22 1.0 1.311 1.995 1139 1102 A 69 ASN HA A 69 ASN HD21 1.0 1.987 5.371 1140 1103 A 69 ASN H A 69 ASN HD21 1.0 1.966 4.990 1141 1104 A 10 SER HBx A 12 GLN HE22 1.0 1.988 5.400 1142 1105 A 49 PRO HBy A 12 GLN HE22 1.0 1.987 5.363 1143 1106 A 12 GLN HBx A 12 GLN HE22 1.0 1.832 3.850 1144 1107 A 71 VAL HG1% A 12 GLN HE22 1.0 1.985 5.309 1145 1108 A 39 PRO HGy A 40 THR H 1.0 1.948 4.758 1146 1109 A 40 THR H A 41 VAL HGy% 1.0 1.970 5.044 1147 1110 A 40 THR H A 41 VAL HA 1.0 1.981 5.247 1148 1111 A 40 THR H A 39 PRO HBx 1.0 1.987 5.369 1149 1112 A 40 THR H A 39 PRO HGx 1.0 1.992 5.484 1150 1113 A 40 THR H A 38 ASP HA 1.0 1.955 4.835 1151 1114 A 13 CYS HBy A 48 ASP H 1.0 1.942 4.694 1152 1115 A 12 GLN HBy A 48 ASP H 1.0 1.951 4.805 1153 1116 A 48 ASP HBy A 48 ASP H 1.0 1.851 3.963 1154 1117 A 47 CYS HBx A 48 ASP H 1.0 1.844 3.920 1155 1118 A 48 ASP HA A 48 ASP H 1.0 1.753 3.439 1156 1119 A 13 CYS H A 48 ASP H 1.0 1.795 3.645 1157 1120 A 47 CYS HBy A 46 GLY H 1.0 1.994 5.554 1158 1121 A 74 VAL HB A 46 GLY H 1.0 1.968 5.026 1159 1122 A 46 GLY HAy A 46 GLY H 1.0 1.622 2.898 1160 1123 A 46 GLY H A 45 ASP HBy 1.0 1.868 4.074 1161 1124 A 46 GLY H A 75 ILE HG2% 1.0 1.969 5.037 1162 1125 A 32 LEU H A 30 ASP HA 1.0 1.996 5.652 1163 1126 A 29 LEU HA A 32 LEU H 1.0 1.875 4.129 1164 1127 A 31 GLU HGx A 32 LEU H 1.0 1.999 5.853 1165 1128 A 31 GLU HBx A 32 LEU H 1.0 1.861 4.027 1166 1129 A 31 GLU HBy A 32 LEU H 1.0 1.839 3.895 1167 1130 A 32 LEU HG A 32 LEU H 1.0 1.670 3.080 1168 1131 A 32 LEU HBy A 32 LEU H 1.0 1.675 3.101 1169 1132 A 32 LEU HDy% A 32 LEU H 1.0 1.837 3.877 1170 1133 A 34 ILE HG1x A 32 LEU H 1.0 1.997 5.667 1171 1134 A 34 ILE HD1% A 32 LEU H 1.0 1.967 5.005 1172 1135 A 30 ASP H A 32 LEU H 1.0 1.963 4.955 1173 1136 A 31 GLU H A 32 LEU H 1.0 1.614 2.872 1174 1137 A 34 ILE H A 32 LEU H 1.0 1.932 4.596 1175 1138 A 12 GLN HBy A 50 ILE H 1.0 1.957 4.871 1176 1139 A 50 ILE HB A 50 ILE H 1.0 1.698 3.194 1177 1140 A 50 ILE H A 12 GLN HGy 1.0 1.994 5.586 1178 1141 A 50 ILE HG1x A 50 ILE H 1.0 1.829 3.829 1179 1142 A 50 ILE HG2% A 50 ILE H 1.0 1.859 4.019 1180 1143 A 50 ILE HD1% A 50 ILE H 1.0 1.894 4.262 1181 1144 A 50 ILE H A 51 THR H 1.0 1.929 4.569 1182 1145 A 3 TRP H A 3 TRP HBy 1.0 1.857 4.007 1183 1146 A 3 TRP H A 2 SER HB2 1.0 1.933 4.599 1184 1147 A 55 SER HA A 55 SER H 1.0 1.920 4.480 1185 1148 A 74 VAL HA A 74 VAL H 1.0 1.813 3.745 1186 1149 A 75 ILE HG2% A 74 VAL H 1.0 1.971 5.061 1187 1150 A 74 VAL H A 73 GLY H 1.0 1.856 4.000 1188 1151 A 52 VAL H A 50 ILE HA 1.0 1.836 3.874 1189 1152 A 52 VAL HB A 52 VAL H 1.0 1.768 3.504 1190 1153 A 52 VAL H A 52 VAL HGx% 1.0 1.695 3.181 1191 1154 A 52 VAL H A 53 ALA H 1.0 1.924 4.522 1192 1155 A 51 THR H A 52 VAL H 1.0 1.772 3.528 1193 1156 A 26 THR HB A 22 SER H 1.0 1.993 5.509 1194 1157 A 22 SER H A 20 GLY HAx 1.0 1.988 5.386 1195 1158 A 20 GLY HAy A 22 SER H 1.0 1.949 4.779 1196 1159 A 19 PRO HBx A 22 SER H 1.0 1.967 5.009 1197 1160 A 19 PRO HBy A 22 SER H 1.0 1.839 3.889 1198 1161 A 18 VAL HGy% A 22 SER H 1.0 1.995 5.613 1199 1162 A 22 SER HBy A 22 SER H 1.0 1.879 4.155 1200 1163 A 22 SER HBx A 22 SER H 1.0 1.793 3.635 1201 1164 A 25 GLY HAx A 22 SER H 1.0 1.994 5.568 1202 1165 A 26 THR HG2% A 22 SER H 1.0 1.992 5.492 1203 1166 A 22 SER H A 21 ASP HBy 1.0 1.942 4.706 1204 1167 A 26 THR H A 22 SER H 1.0 1.949 4.779 1205 1168 A 25 GLY H A 22 SER H 1.0 1.901 4.321 1206 1169 A 15 GLN HA A 15 GLN H 1.0 1.751 3.427 1207 1170 A 14 CYS HBy A 15 GLN H 1.0 1.851 3.971 1208 1171 A 15 GLN HGx A 15 GLN H 1.0 1.829 3.835 1209 1172 A 15 GLN HB2 A 15 GLN H 1.0 1.631 2.933 1210 1173 A 61 ALA HB% A 15 GLN H 1.0 1.941 4.687 1211 1174 A 17 VAL HGy% A 15 GLN H 1.0 1.994 5.538 1212 1175 A 14 CYS H A 15 GLN H 1.0 1.976 5.158 1213 1176 A 48 ASP H A 15 GLN H 1.0 1.962 4.944 1214 1177 A 38 ASP H A 37 GLU HGx 1.0 1.991 5.477 1215 1178 A 38 ASP H A 36 LEU HBx 1.0 1.900 4.310 1216 1179 A 38 ASP H A 36 LEU HA 1.0 1.946 4.748 1217 1180 A 38 ASP HBy A 38 ASP H 1.0 1.734 3.346 1218 1181 A 38 ASP HBx A 38 ASP H 1.0 1.820 3.778 1219 1182 A 37 GLU HBy A 38 ASP H 1.0 1.750 3.424 1220 1183 A 38 ASP H A 36 LEU HBy 1.0 1.785 3.589 1221 1184 A 38 ASP H A 36 LEU HDx% 1.0 1.962 4.948 1222 1185 A 38 ASP H A 38 ASP HA 1.0 1.838 3.886 1223 1186 A 37 GLU H A 38 ASP H 1.0 1.707 3.231 1224 1187 A 40 THR H A 38 ASP H 1.0 1.934 4.604 1225 1188 A 77 ILE HB A 78 GLY H 1.0 1.961 4.921 1226 1189 A 77 ILE HA A 78 GLY H 1.0 1.646 2.988 1227 1190 A 41 VAL HGx% A 78 GLY H 1.0 1.976 5.144 1228 1191 A 77 ILE HG2% A 78 GLY H 1.0 1.759 3.465 1229 1192 A 15 GLN HA A 15 GLN HE21 1.0 1.980 5.226 1230 1193 A 15 GLN HGy A 15 GLN HE21 1.0 1.740 3.374 1231 1194 A 15 GLN HGx A 15 GLN HE21 1.0 1.945 4.725 1232 1195 A 15 GLN HB2 A 15 GLN HE21 1.0 1.998 5.700 1233 1196 A 61 ALA HB% A 15 GLN HE21 1.0 1.922 4.492 1234 1197 A 15 GLN HE22 A 15 GLN HE21 1.0 1.280 1.922 1235 1198 A 77 ILE H A 71 VAL HA 1.0 2.000 5.918 1236 1199 A 66 CYS HBx A 77 ILE H 1.0 1.998 5.754 1237 1200 A 66 CYS HBy A 77 ILE H 1.0 1.954 4.836 1238 1201 A 68 ASP HBx A 77 ILE H 1.0 1.975 5.139 1239 1202 A 76 ALA HB% A 77 ILE H 1.0 1.799 3.663 1240 1203 A 77 ILE H A 77 ILE HG1y 1.0 1.849 3.951 1241 1204 A 77 ILE H A 71 VAL HG1% 1.0 1.858 4.012 1242 1205 A 77 ILE H A 78 GLY H 1.0 1.993 5.537 1243 1206 A 71 VAL H A 70 ASN HBy 1.0 1.945 4.731 1244 1207 A 5 GLN HA A 6 CYS H 1.0 1.799 3.661 1245 1208 A 6 CYS HBx A 6 CYS H 1.0 1.902 4.322 1246 1209 A 71 VAL H A 71 VAL HA 1.0 1.890 4.238 1247 1210 A 6 CYS HBy A 6 CYS H 1.0 1.914 4.424 1248 1211 A 5 GLN HBy A 6 CYS H 1.0 1.970 5.048 1249 1212 A 6 CYS HA A 6 CYS H 1.0 1.896 4.284 1250 1213 A 41 VAL HB A 41 VAL H 1.0 1.810 3.728 1251 1214 A 40 THR HG2% A 41 VAL H 1.0 1.945 4.719 1252 1215 A 15 GLN HGy A 15 GLN HE22 1.0 1.887 4.209 1253 1216 A 15 GLN HGx A 15 GLN HE22 1.0 1.984 5.300 1254 1217 A 40 THR H A 41 VAL H 1.0 1.640 2.966 1255 1218 A 5 GLN HG2 A 5 GLN HE22 1.0 1.943 4.699 1256 1219 A 64 VAL HGy% A 63 ALA H 1.0 1.950 4.790 1257 1220 A 63 ALA H A 62 THR HB 1.0 1.967 5.011 1258 1221 A 63 ALA H A 61 ALA HB% 1.0 1.996 5.666 1259 1222 A 63 ALA H A 64 VAL HGx% 1.0 1.978 5.198 1260 1223 A 63 ALA H A 62 THR H 1.0 1.963 4.947 1261 1224 A 83 THR H A 82 VAL HB 1.0 1.722 3.298 1262 1225 A 83 THR HG2% A 83 THR H 1.0 1.879 4.155 1263 1226 A 83 THR H A 82 VAL HGy% 1.0 1.876 4.138 1264 1227 A 82 VAL H A 83 THR H 1.0 1.903 4.333 1265 1228 A 29 LEU HDy% A 30 ASP H 1.0 1.967 5.001 1266 1229 A 30 ASP H A 30 ASP HBy 1.0 1.598 2.814 1267 1230 A 30 ASP H A 30 ASP HBx 1.0 1.725 3.311 1268 1231 A 29 LEU HG A 30 ASP H 1.0 1.728 3.320 1269 1232 A 29 LEU HBy A 30 ASP H 1.0 1.849 3.951 1270 1233 A 30 ASP H A 29 LEU HDx% 1.0 1.981 5.237 1271 1234 A 60 SER HBx A 61 ALA H 1.0 1.978 5.184 1272 1235 A 60 SER HBy A 61 ALA H 1.0 1.966 4.978 1273 1236 A 61 ALA HB% A 61 ALA H 1.0 1.598 2.816 1274 1237 A 59 CYS HBy A 61 ALA H 1.0 1.959 4.899 1275 1238 A 59 CYS HA A 61 ALA H 1.0 1.898 4.296 1276 1239 A 60 SER H A 61 ALA H 1.0 1.876 4.132 1277 1240 A 62 THR H A 61 ALA H 1.0 1.902 4.326 1278 1241 A 53 ALA H A 52 VAL HA 1.0 1.630 2.928 1279 1242 A 52 VAL HB A 53 ALA H 1.0 1.873 4.111 1280 1243 A 53 ALA H A 53 ALA HB% 1.0 1.683 3.131 1281 1244 A 34 ILE HB A 35 VAL H 1.0 1.883 4.181 1282 1245 A 34 ILE HG1x A 35 VAL H 1.0 1.974 5.102 1283 1246 A 36 LEU H A 35 VAL H 1.0 1.955 4.843 1284 1247 A 43 ILE HB A 18 VAL H 1.0 1.979 5.191 1285 1248 A 17 VAL HB A 18 VAL H 1.0 1.977 5.167 1286 1249 A 43 ILE HG1y A 18 VAL H 1.0 1.978 5.168 1287 1250 A 18 VAL HGx% A 18 VAL H 1.0 1.867 4.071 1288 1251 A 43 ILE HD1% A 18 VAL H 1.0 1.967 5.005 1289 1252 A 18 VAL HB A 18 VAL H 1.0 1.975 5.141 1290 1253 A 47 CYS H A 74 VAL HA 1.0 1.929 4.557 1291 1254 A 46 GLY HAy A 47 CYS H 1.0 1.772 3.526 1292 1255 A 47 CYS HBy A 47 CYS H 1.0 1.729 3.329 1293 1256 A 47 CYS H A 74 VAL HB 1.0 1.853 3.981 1294 1257 A 47 CYS H A 74 VAL HGx% 1.0 1.936 4.634 1295 1258 A 47 CYS H A 46 GLY H 1.0 1.745 3.395 1296 1259 A 66 CYS H A 65 CYS HBy 1.0 1.972 5.082 1297 1260 A 66 CYS H A 12 GLN HBx 1.0 1.995 5.585 1298 1261 A 64 VAL HGy% A 66 CYS H 1.0 1.997 5.671 1299 1262 A 66 CYS H A 82 VAL HGx% 1.0 1.999 5.777 1300 1263 A 64 VAL H A 12 GLN H 1.0 1.766 3.500 1301 1264 A 82 VAL H A 82 VAL HA 1.0 1.819 3.777 1302 1265 A 82 VAL H A 82 VAL HB 1.0 1.775 3.539 1303 1266 A 82 VAL H A 81 PRO HGy 1.0 1.993 5.545 1304 1267 A 82 VAL H A 65 CYS H 1.0 1.958 4.886 1305 1268 A 40 THR HA A 20 GLY H 1.0 1.990 5.444 1306 1269 A 20 GLY H A 25 GLY HAy 1.0 1.970 5.060 1307 1270 A 19 PRO HBy A 20 GLY H 1.0 1.923 4.511 1308 1271 A 43 ILE HG1y A 20 GLY H 1.0 1.995 5.603 1309 1272 A 43 ILE HG1x A 20 GLY H 1.0 1.970 5.058 1310 1273 A 43 ILE HD1% A 20 GLY H 1.0 1.902 4.324 1311 1274 A 42 LEU HDy% A 20 GLY H 1.0 1.909 4.381 1312 1275 A 41 VAL H A 20 GLY H 1.0 1.993 5.565 1313 1276 A 20 GLY H A 22 SER H 1.0 1.998 5.728 1314 1277 A 14 CYS H A 62 THR HB 1.0 1.923 4.503 1315 1278 A 14 CYS H A 13 CYS HBy 1.0 1.996 5.640 1316 1279 A 14 CYS H A 13 CYS HBx 1.0 1.939 4.655 1317 1280 A 14 CYS H A 14 CYS HBx 1.0 1.722 3.296 1318 1281 A 14 CYS H A 61 ALA HB% 1.0 1.929 4.565 1319 1282 A 14 CYS H A 63 ALA HB% 1.0 1.986 5.344 1320 1283 A 14 CYS H A 62 THR HG2% 1.0 1.990 5.440 1321 1284 A 64 VAL HGy% A 14 CYS H 1.0 1.840 3.894 1322 1285 A 14 CYS H A 64 VAL H 1.0 1.965 4.987 1323 1286 A 14 CYS H A 62 THR H 1.0 1.821 3.789 1324 1287 A 14 CYS H A 63 ALA HA 1.0 1.857 4.007 1325 1288 A 10 SER HBx A 11 ILE H 1.0 1.882 4.176 1326 1289 A 10 SER HBy A 11 ILE H 1.0 1.854 3.986 1327 1290 A 11 ILE HB A 11 ILE H 1.0 1.667 3.069 1328 1291 A 11 ILE HG1x A 11 ILE H 1.0 1.769 3.511 1329 1292 A 11 ILE HG1y A 11 ILE H 1.0 1.806 3.698 1330 1293 A 16 ASN HBx A 17 VAL H 1.0 1.937 4.641 1331 1294 A 16 ASN HBy A 17 VAL H 1.0 1.833 3.853 1332 1295 A 17 VAL HB A 17 VAL H 1.0 1.698 3.194 1333 1296 A 27 LEU H A 23 ASP HA 1.0 1.991 5.487 1334 1297 A 27 LEU H A 30 ASP HBy 1.0 2.000 5.996 1335 1298 A 26 THR HB A 27 LEU H 1.0 1.678 3.110 1336 1299 A 27 LEU H A 25 GLY HAx 1.0 1.993 5.563 1337 1300 A 27 LEU H A 27 LEU HBx 1.0 1.651 3.009 1338 1301 A 27 LEU HBy A 27 LEU H 1.0 1.638 2.956 1339 1302 A 27 LEU HDx% A 27 LEU H 1.0 1.901 4.315 1340 1303 A 29 LEU H A 27 LEU H 1.0 1.964 4.968 1341 1304 A 27 LEU H A 26 THR H 1.0 1.735 3.355 1342 1305 A 27 LEU H A 28 LEU H 1.0 1.673 3.095 1343 1306 A 5 GLN HG2 A 5 GLN HE21 1.0 1.828 3.830 1344 1307 A 5 GLN HBy A 5 GLN HE21 1.0 1.995 5.575 1345 1308 A 70 ASN HBx A 70 ASN HD22 1.0 1.874 4.112 1346 1309 A 70 ASN HBy A 70 ASN HD22 1.0 1.831 3.847 1347 1310 A 5 GLN HE22 A 5 GLN HE21 1.0 1.275 1.909 1348 1311 A 70 ASN HD21 A 70 ASN HD22 1.0 1.301 1.969 1349 1312 A 49 PRO HA A 13 CYS H 1.0 1.928 4.554 1350 1313 A 47 CYS HBx A 13 CYS H 1.0 1.958 4.886 1351 1314 A 13 CYS H A 48 ASP HBx 1.0 1.974 5.100 1352 1315 A 12 GLN HBy A 13 CYS H 1.0 1.806 3.700 1353 1316 A 13 CYS H A 12 GLN HGy 1.0 1.932 4.596 1354 1317 A 50 ILE HG1x A 13 CYS H 1.0 1.899 4.297 1355 1318 A 43 ILE H A 43 ILE HB 1.0 1.828 3.822 1356 1319 A 43 ILE H A 43 ILE HG2% 1.0 1.742 3.386 1357 1320 A 13 CYS H A 50 ILE H 1.0 1.977 5.173 1358 1321 A 13 CYS HA A 13 CYS H 1.0 1.858 4.006 1359 1322 A 43 ILE H A 18 VAL H 1.0 1.834 3.860 1360 1323 A 43 ILE H A 17 VAL HA 1.0 1.980 5.206 1361 1324 A 43 ILE H A 20 GLY H 1.0 1.928 4.548 1362 1325 A 64 VAL H A 64 VAL HB 1.0 1.980 5.220 1363 1326 A 64 VAL H A 12 GLN HGy 1.0 1.987 5.351 1364 1327 A 64 VAL HGx% A 64 VAL H 1.0 1.872 4.104 1365 1328 A 64 VAL H A 62 THR HG2% 1.0 1.990 5.432 1366 1329 A 64 VAL H A 64 VAL HA 1.0 1.883 4.179 1367 1330 A 35 VAL HB A 36 LEU H 1.0 1.937 4.651 1368 1331 A 36 LEU H A 36 LEU HBx 1.0 1.691 3.165 1369 1332 A 36 LEU H A 36 LEU HDy% 1.0 1.694 3.176 1370 1333 A 36 LEU HG A 36 LEU H 1.0 1.716 3.270 1371 1334 A 39 PRO HBx A 36 LEU H 1.0 1.998 5.712 1372 1335 A 45 ASP H A 75 ILE HG2% 1.0 1.979 5.217 1373 1336 A 45 ASP H A 28 LEU HDx% 1.0 1.898 4.296 1374 1337 A 44 GLY HAx A 45 ASP H 1.0 1.584 2.768 1375 1338 A 45 ASP H A 44 GLY H 1.0 1.994 5.560 1376 1339 A 80 LEU H A 81 PRO HDy 1.0 1.983 5.261 1377 1340 A 80 LEU H A 65 CYS HBx 1.0 1.973 5.095 1378 1341 A 80 LEU H A 65 CYS HBy 1.0 1.983 5.287 1379 1342 A 80 LEU H A 64 VAL HB 1.0 1.867 4.073 1380 1343 A 80 LEU HDx% A 80 LEU H 1.0 1.950 4.792 1381 1344 A 64 VAL HGy% A 80 LEU H 1.0 1.963 4.953 1382 1345 A 80 LEU H A 64 VAL HGx% 1.0 1.948 4.758 1383 1346 A 80 LEU H A 80 LEU HA 1.0 1.834 3.862 1384 1347 A 80 LEU H A 65 CYS H 1.0 1.787 3.601 1385 1348 A 5 GLN H A 5 GLN HG2 1.0 1.868 4.080 1386 1349 A 5 GLN H A 5 GLN HBx 1.0 1.902 4.326 1387 1350 A 5 GLN H A 5 GLN HBy 1.0 1.776 3.546 1388 1351 A 5 GLN H A 11 ILE HD1% 1.0 1.991 5.477 1389 1352 A 4 GLY H A 5 GLN H 1.0 1.897 4.287 1390 1353 A 20 GLY HAy A 26 THR H 1.0 1.996 5.664 1391 1354 A 26 THR H A 28 LEU HDy% 1.0 1.991 5.489 1392 1355 A 22 SER HBx A 26 THR H 1.0 1.857 4.003 1393 1356 A 26 THR HA A 26 THR H 1.0 1.671 3.087 1394 1357 A 18 VAL HGy% A 26 THR H 1.0 1.995 5.611 1395 1358 A 25 GLY H A 26 THR H 1.0 1.726 3.316 1396 1359 A 22 SER HBy A 23 ASP H 1.0 1.814 3.744 1397 1360 A 23 ASP H A 23 ASP HA 1.0 1.872 4.098 1398 1361 A 23 ASP HBy A 23 ASP H 1.0 1.820 3.780 1399 1362 A 72 SER HA A 73 GLY H 1.0 1.718 3.278 1400 1363 A 73 GLY HAy A 73 GLY H 1.0 1.757 3.451 1401 1364 A 73 GLY HAx A 73 GLY H 1.0 1.700 3.200 1402 1365 A 74 VAL HGx% A 73 GLY H 1.0 1.999 5.781 1403 1366 A 16 ASN HBy A 16 ASN HD21 1.0 1.950 4.784 1404 1367 A 18 VAL HGx% A 16 ASN HD21 1.0 1.943 4.699 1405 1368 A 16 ASN HBx A 16 ASN HD21 1.0 1.939 4.659 1406 1369 A 66 CYS HBx A 10 SER H 1.0 1.994 5.576 1407 1370 A 67 SER HA A 10 SER H 1.0 1.976 5.140 1408 1371 A 9 GLY HAy A 10 SER H 1.0 1.668 3.072 1409 1372 A 9 GLY H A 10 SER H 1.0 1.945 4.737 1410 1373 A 66 CYS H A 10 SER H 1.0 1.856 4.000 1411 1374 A 20 GLY HAy A 21 ASP H 1.0 1.899 4.303 1412 1375 A 21 ASP H A 21 ASP HBx 1.0 1.877 4.137 1413 1376 A 21 ASP H A 21 ASP HBy 1.0 1.772 3.524 1414 1377 A 19 PRO HBy A 21 ASP H 1.0 1.824 3.806 1415 1378 A 43 ILE HD1% A 21 ASP H 1.0 1.994 5.566 1416 1379 A 29 LEU HDy% A 21 ASP H 1.0 1.999 5.861 1417 1380 A 21 ASP H A 22 SER H 1.0 1.708 3.236 1418 1381 A 20 GLY H A 21 ASP H 1.0 1.781 3.573 1419 1382 A 67 SER HA A 68 ASP H 1.0 1.725 3.307 1420 1383 A 67 SER HBx A 68 ASP H 1.0 1.832 3.848 1421 1384 A 68 ASP HBy A 68 ASP H 1.0 1.767 3.503 1422 1385 A 77 ILE H A 68 ASP H 1.0 1.936 4.628 1423 1386 A 59 CYS H A 58 ALA HB% 1.0 1.789 3.611 1424 1387 A 59 CYS H A 59 CYS HA 1.0 1.817 3.765 1425 1388 A 58 ALA H A 57 ASP H 1.0 1.735 3.357 1426 1389 A 10 SER HA A 11 ILE H 1.0 1.628 2.920 1427 1390 A 18 VAL HGx% A 17 VAL H 1.0 1.838 3.884 1428 1391 A 16 ASN H A 17 VAL H 1.0 1.981 5.243 1429 1392 A 13 CYS H A 12 GLN HA 1.0 1.702 3.206 1430 1393 A 45 ASP H A 46 GLY H 1.0 1.981 5.253 1431 1394 A 46 GLY H A 76 ALA H 1.0 1.982 5.256 1432 1395 A 52 VAL HGy% A 53 ALA H 1.0 1.802 3.680 1433 1396 A 59 CYS H A 58 ALA H 1.0 1.755 3.445 1434 1397 A 69 ASN H A 68 ASP HA 1.0 1.681 3.123 1435 1398 A 70 ASN HA A 70 ASN H 1.0 1.836 3.872 1436 1399 A 71 VAL H A 70 ASN HA 1.0 1.897 4.285 1437 1400 A 71 VAL HB A 72 SER H 1.0 1.883 4.181 1438 1401 A 5 GLN HBx A 6 CYS H 1.0 1.961 4.919 1439 1402 A 5 GLN H A 6 CYS H 1.0 1.923 4.507 1440 1403 A 66 CYS HBy A 68 ASP H 1.0 1.963 4.953 1441 1404 A 68 ASP HBx A 68 ASP H 1.0 1.825 3.809 1442 1405 A 66 CYS HBx A 68 ASP H 1.0 1.987 5.383 1443 1406 A 68 ASP HA A 68 ASP H 1.0 1.857 4.003 1444 1407 A 79 CYS H A 42 LEU HDy% 1.0 1.989 5.409 1445 1408 A 3 TRP H A 3 TRP HD1 1.0 1.988 5.408 1446 1409 A 3 TRP HA A 3 TRP H 1.0 1.944 4.718 1447 1410 A 3 TRP H A 3 TRP HBx 1.0 1.910 4.400 1448 1411 A 3 TRP HA A 4 GLY H 1.0 1.877 4.141 1449 1412 A 10 SER H A 10 SER HA 1.0 1.856 4.000 1450 1413 A 42 LEU H A 41 VAL H 1.0 1.971 5.061 1451 1414 A 61 ALA H A 61 ALA HA 1.0 1.788 3.608 1452 1415 A 50 ILE H A 12 GLN HA 1.0 1.877 4.139 1453 1416 A 44 GLY H A 78 GLY H 1.0 2.000 5.900 1454 1417 A 42 LEU H A 78 GLY H 1.0 1.989 5.423 1455 1418 A 63 ALA H A 64 VAL H 1.0 1.992 5.506 1456 1419 A 63 ALA H A 82 VAL H 1.0 1.999 5.839 1457 1420 A 34 ILE H A 35 VAL H 1.0 1.960 4.908 1458 1421 A 27 LEU H A 25 GLY H 1.0 1.999 5.811 1459 1422 A 20 GLY H A 19 PRO HA 1.0 1.673 3.089 1460 1423 A 42 LEU HA A 20 GLY H 1.0 1.825 3.803 1461 1424 A 29 LEU H A 26 THR H 1.0 1.983 5.269 1462 1425 A 66 CYS H A 11 ILE HA 1.0 1.968 5.028 1463 1426 A 62 THR H A 61 ALA HA 1.0 1.896 4.282 1464 1427 A 11 ILE HA A 12 GLN H 1.0 1.619 2.889 1465 1428 A 63 ALA HA A 12 GLN H 1.0 1.997 5.711 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 29 LEU H A 25 GLY O 1.0 1.730 2.700 2 2 A 25 GLY O A 29 LEU N 1.0 2.516 3.927 3 3 A 31 GLU H A 27 LEU O 1.0 1.730 2.700 4 4 A 27 LEU O A 31 GLU N 1.0 2.516 3.927 5 5 A 28 LEU H A 24 LEU O 1.0 1.730 2.700 6 6 A 24 LEU O A 28 LEU N 1.0 2.516 3.927 7 7 A 45 ASP H A 16 ASN O 1.0 1.730 2.700 8 8 A 16 ASN O A 45 ASP N 1.0 2.516 3.927 9 9 A 76 ALA H A 44 GLY O 1.0 1.730 2.700 10 10 A 44 GLY O A 76 ALA N 1.0 2.516 3.927 11 11 A 18 VAL H A 43 ILE O 1.0 1.730 2.700 12 12 A 43 ILE O A 18 VAL N 1.0 2.516 3.927 13 13 A 12 GLN H A 64 VAL O 1.0 1.730 2.700 14 14 A 64 VAL O A 12 GLN N 1.0 2.516 3.927 15 15 A 64 VAL H A 12 GLN O 1.0 1.730 2.700 16 16 A 12 GLN O A 64 VAL N 1.0 2.516 3.927 17 17 A 62 THR H A 14 CYS O 1.0 1.730 2.700 18 18 A 14 CYS O A 62 THR N 1.0 2.516 3.927 19 19 A 80 LEU H A 65 CYS O 1.0 1.730 2.700 20 20 A 65 CYS O A 80 LEU N 1.0 2.516 3.927 21 21 A 65 CYS H A 80 LEU O 1.0 1.730 2.700 22 22 A 80 LEU O A 65 CYS N 1.0 2.516 3.927 23 23 A 44 GLY H A 76 ALA O 1.0 1.730 2.700 24 24 A 76 ALA O A 44 GLY N 1.0 2.516 3.927 25 25 A 43 ILE H A 18 VAL O 1.0 1.730 2.700 26 26 A 18 VAL O A 43 ILE N 1.0 2.516 3.927 27 27 A 48 ASP H A 13 CYS O 1.0 1.730 2.700 28 28 A 13 CYS H A 48 ASP O 1.0 1.730 2.700 29 29 A 13 CYS O A 48 ASP N 1.0 2.516 3.927 30 30 A 48 ASP O A 13 CYS N 1.0 2.516 3.927 31 31 A 32 LEU H A 28 LEU O 1.0 1.730 2.700 32 32 A 28 LEU O A 32 LEU N 1.0 2.516 3.927 33 33 A 34 ILE H A 29 LEU O 1.0 1.730 2.700 34 34 A 29 LEU O A 34 ILE 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 GLY C A 5 GLN N A 5 GLN CA A 5 GLN C 1.0 -110.0 -57.44 PHI 2 2 A 5 GLN N A 5 GLN CA A 5 GLN C A 6 CYS N 1.0 110.0 197.72 PSI 3 3 A 7 SER C A 8 THR N A 8 THR CA A 8 THR C 1.0 -120.0 -50.16 PHI 4 4 A 8 THR N A 8 THR CA A 8 THR C A 9 GLY N 1.0 -30.0 20.00 PSI 5 5 A 9 GLY C A 10 SER N A 10 SER CA A 10 SER C 1.0 -150.0 -40.00 PHI 6 6 A 10 SER N A 10 SER CA A 10 SER C A 11 ILE N 1.0 110.0 150.00 PSI 7 7 A 10 SER C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -140.0 -68.82 PHI 8 8 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 GLN N 1.0 100.0 147.84 PSI 9 9 A 11 ILE C A 12 GLN N A 12 GLN CA A 12 GLN C 1.0 -160.0 -93.52 PHI 10 10 A 12 GLN N A 12 GLN CA A 12 GLN C A 13 CYS N 1.0 110.0 183.38 PSI 11 11 A 12 GLN C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -140.0 -82.32 PHI 12 12 A 13 CYS N A 13 CYS CA A 13 CYS C A 14 CYS N 1.0 90.0 159.08 PSI 13 13 A 13 CYS C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -180.0 -74.64 PHI 14 14 A 14 CYS N A 14 CYS CA A 14 CYS C A 15 GLN N 1.0 100.0 180.68 PSI 15 15 A 14 CYS C A 15 GLN N A 15 GLN CA A 15 GLN C 1.0 -110.0 -55.42 PHI 16 16 A 15 GLN N A 15 GLN CA A 15 GLN C A 16 ASN N 1.0 -60.0 10.36 PSI 17 17 A 15 GLN C A 16 ASN N A 16 ASN CA A 16 ASN C 1.0 -180.0 -48.92 PHI 18 18 A 16 ASN N A 16 ASN CA A 16 ASN C A 17 VAL N 1.0 90.0 161.06 PSI 19 19 A 16 ASN C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -150.0 -89.18 PHI 20 20 A 17 VAL N A 17 VAL CA A 17 VAL C A 18 VAL N 1.0 100.0 164.64 PSI 21 21 A 17 VAL C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -160.0 -98.26 PHI 22 22 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 PRO N 1.0 110.0 171.16 PSI 23 23 A 18 VAL C A 19 PRO N A 19 PRO CA A 19 PRO C 1.0 -90.0 -40.02 PHI 24 24 A 19 PRO N A 19 PRO CA A 19 PRO C A 20 GLY N 1.0 110.0 161.40 PSI 25 25 A 19 PRO C A 20 GLY N A 20 GLY CA A 20 GLY C 1.0 -90.0 -21.10 PHI 26 26 A 20 GLY N A 20 GLY CA A 20 GLY C A 21 ASP N 1.0 -60.0 3.12 PSI 27 27 A 20 GLY C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -120.0 -55.94 PHI 28 28 A 21 ASP N A 21 ASP CA A 21 ASP C A 22 SER N 1.0 -40.0 32.48 PSI 29 29 A 21 ASP C A 22 SER N A 22 SER CA A 22 SER C 1.0 -110.0 -38.06 PHI 30 30 A 22 SER N A 22 SER CA A 22 SER C A 23 ASP N 1.0 120.0 200.92 PSI 31 31 A 22 SER C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -80.0 -33.06 PHI 32 32 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 LEU N 1.0 -70.0 -10.66 PSI 33 33 A 23 ASP C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -90.0 -39.84 PHI 34 34 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 GLY N 1.0 -70.0 -8.42 PSI 35 35 A 24 LEU C A 25 GLY N A 25 GLY CA A 25 GLY C 1.0 -90.0 -38.12 PHI 36 36 A 25 GLY N A 25 GLY CA A 25 GLY C A 26 THR N 1.0 -70.0 -16.62 PSI 37 37 A 25 GLY C A 26 THR N A 26 THR CA A 26 THR C 1.0 -90.0 -38.48 PHI 38 38 A 26 THR N A 26 THR CA A 26 THR C A 27 LEU N 1.0 -70.0 -14.34 PSI 39 39 A 26 THR C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -90.0 -39.60 PHI 40 40 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 LEU N 1.0 -70.0 -19.40 PSI 41 41 A 27 LEU C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -90.0 -39.80 PHI 42 42 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 LEU N 1.0 -70.0 -18.50 PSI 43 43 A 28 LEU C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -90.0 -39.22 PHI 44 44 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 ASP N 1.0 -70.0 -11.42 PSI 45 45 A 29 LEU C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -90.0 -33.58 PHI 46 46 A 30 ASP N A 30 ASP CA A 30 ASP C A 31 GLU N 1.0 -70.0 -17.10 PSI 47 47 A 30 ASP C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -80.0 -46.72 PHI 48 48 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 LEU N 1.0 -50.0 -2.12 PSI 49 49 A 31 GLU C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -120.0 -68.02 PHI 50 50 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 GLY N 1.0 -20.0 27.82 PSI 51 51 A 32 LEU C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 40.0 98.66 PHI 52 52 A 33 GLY N A 33 GLY CA A 33 GLY C A 34 ILE N 1.0 -10.0 71.08 PSI 53 53 A 33 GLY C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -170.0 -68.40 PHI 54 54 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 VAL N 1.0 90.0 169.12 PSI 55 55 A 34 ILE C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -170.0 -36.94 PHI 56 56 A 35 VAL N A 35 VAL CA A 35 VAL C A 36 LEU N 1.0 90.0 164.36 PSI 57 57 A 35 VAL C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -180.0 -56.28 PHI 58 58 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 GLU N 1.0 90.0 197.80 PSI 59 59 A 36 LEU C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -90.0 -40.14 PHI 60 60 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 ASP N 1.0 -60.0 9.46 PSI 61 61 A 37 GLU C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -180.0 -43.66 PHI 62 62 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 PRO N 1.0 90.0 204.84 PSI 63 63 A 38 ASP C A 39 PRO N A 39 PRO CA A 39 PRO C 1.0 -110.0 -50.00 PHI 64 64 A 39 PRO N A 39 PRO CA A 39 PRO C A 40 THR N 1.0 -40.0 40.00 PSI 65 65 A 39 PRO C A 40 THR N A 40 THR CA A 40 THR C 1.0 -120.0 -50.24 PHI 66 66 A 40 THR N A 40 THR CA A 40 THR C A 41 VAL N 1.0 -30.0 19.92 PSI 67 67 A 40 THR C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -110.0 -50.00 PHI 68 68 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 LEU N 1.0 140.0 180.00 PSI 69 69 A 41 VAL C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -110.0 -70.00 PHI 70 70 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 ILE N 1.0 120.0 140.00 PSI 71 71 A 42 LEU C A 43 ILE N A 43 ILE CA A 43 ILE C 1.0 -150.0 -100.00 PHI 72 72 A 43 ILE N A 43 ILE CA A 43 ILE C A 44 GLY N 1.0 110.0 180.00 PSI 73 73 A 43 ILE C A 44 GLY N A 44 GLY CA A 44 GLY C 1.0 -170.0 -60.66 PHI 74 74 A 44 GLY N A 44 GLY CA A 44 GLY C A 45 ASP N 1.0 90.0 180.62 PSI 75 75 A 44 GLY C A 45 ASP N A 45 ASP CA A 45 ASP C 1.0 -180.0 20.00 PHI 76 76 A 45 ASP N A 45 ASP CA A 45 ASP C A 46 GLY N 1.0 90.0 203.68 PSI 77 77 A 45 ASP C A 46 GLY N A 46 GLY CA A 46 GLY C 1.0 20.0 100.00 PHI 78 78 A 46 GLY N A 46 GLY CA A 46 GLY C A 47 CYS N 1.0 0.0 90.00 PSI 79 79 A 46 GLY C A 47 CYS N A 47 CYS CA A 47 CYS C 1.0 -160.0 -100.00 PHI 80 80 A 47 CYS N A 47 CYS CA A 47 CYS C A 48 ASP N 1.0 100.0 150.00 PSI 81 81 A 47 CYS C A 48 ASP N A 48 ASP CA A 48 ASP C 1.0 -100.0 -50.12 PHI 82 82 A 48 ASP N A 48 ASP CA A 48 ASP C A 49 PRO N 1.0 120.0 190.00 PSI 83 83 A 48 ASP C A 49 PRO N A 49 PRO CA A 49 PRO C 1.0 -90.0 -24.02 PHI 84 84 A 49 PRO N A 49 PRO CA A 49 PRO C A 50 ILE N 1.0 120.0 162.28 PSI 85 85 A 49 PRO C A 50 ILE N A 50 ILE CA A 50 ILE C 1.0 -170.0 -5.00 PHI 86 86 A 50 ILE N A 50 ILE CA A 50 ILE C A 51 THR N 1.0 90.0 169.44 PSI 87 87 A 51 THR C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -170.0 -13.64 PHI 88 88 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 ALA N 1.0 90.0 175.98 PSI 89 89 A 55 SER C A 56 SER N A 56 SER CA A 56 SER C 1.0 -130.0 -27.00 PHI 90 90 A 56 SER N A 56 SER CA A 56 SER C A 57 ASP N 1.0 -70.0 22.16 PSI 91 91 A 57 ASP C A 58 ALA N A 58 ALA CA A 58 ALA C 1.0 -130.0 -49.18 PHI 92 92 A 58 ALA N A 58 ALA CA A 58 ALA C A 59 CYS N 1.0 -30.0 17.64 PSI 93 93 A 58 ALA C A 59 CYS N A 59 CYS CA A 59 CYS C 1.0 -180.0 -79.48 PHI 94 94 A 59 CYS N A 59 CYS CA A 59 CYS C A 60 SER N 1.0 90.0 207.04 PSI 95 95 A 61 ALA C A 62 THR N A 62 THR CA A 62 THR C 1.0 -150.0 -88.12 PHI 96 96 A 62 THR N A 62 THR CA A 62 THR C A 63 ALA N 1.0 100.0 157.34 PSI 97 97 A 62 THR C A 63 ALA N A 63 ALA CA A 63 ALA C 1.0 -140.0 -87.32 PHI 98 98 A 63 ALA N A 63 ALA CA A 63 ALA C A 64 VAL N 1.0 100.0 151.02 PSI 99 99 A 63 ALA C A 64 VAL N A 64 VAL CA A 64 VAL C 1.0 -170.0 -98.58 PHI 100 100 A 64 VAL N A 64 VAL CA A 64 VAL C A 65 CYS N 1.0 120.0 187.26 PSI 101 101 A 64 VAL C A 65 CYS N A 65 CYS CA A 65 CYS C 1.0 -150.0 -81.04 PHI 102 102 A 65 CYS N A 65 CYS CA A 65 CYS C A 66 CYS N 1.0 100.0 150.00 PSI 103 103 A 65 CYS C A 66 CYS N A 66 CYS CA A 66 CYS C 1.0 -160.0 -72.34 PHI 104 104 A 66 CYS N A 66 CYS CA A 66 CYS C A 67 SER N 1.0 100.0 186.74 PSI 105 105 A 66 CYS C A 67 SER N A 67 SER CA A 67 SER C 1.0 -140.0 -40.00 PHI 106 106 A 67 SER N A 67 SER CA A 67 SER C A 68 ASP N 1.0 -60.0 20.00 PSI 107 107 A 67 SER C A 68 ASP N A 68 ASP CA A 68 ASP C 1.0 -110.0 -39.52 PHI 108 108 A 68 ASP N A 68 ASP CA A 68 ASP C A 69 ASN N 1.0 110.0 180.60 PSI 109 109 A 68 ASP C A 69 ASN N A 69 ASN CA A 69 ASN C 1.0 -120.0 -29.68 PHI 110 110 A 69 ASN N A 69 ASN CA A 69 ASN C A 70 ASN N 1.0 -70.0 24.86 PSI 111 111 A 69 ASN C A 70 ASN N A 70 ASN CA A 70 ASN C 1.0 -120.0 -40.00 PHI 112 112 A 70 ASN N A 70 ASN CA A 70 ASN C A 71 VAL N 1.0 20.0 110.00 PSI 113 113 A 70 ASN C A 71 VAL N A 71 VAL CA A 71 VAL C 1.0 -180.0 -27.40 PHI 114 114 A 71 VAL N A 71 VAL CA A 71 VAL C A 72 SER N 1.0 90.0 174.50 PSI 115 115 A 71 VAL C A 72 SER N A 72 SER CA A 72 SER C 1.0 -95.0 -55.00 PHI 116 116 A 72 SER N A 72 SER CA A 72 SER C A 73 GLY N 1.0 -30.0 10.00 PSI 117 117 A 72 SER C A 73 GLY N A 73 GLY CA A 73 GLY C 1.0 40.0 126.36 PHI 118 118 A 73 GLY N A 73 GLY CA A 73 GLY C A 74 VAL N 1.0 -30.0 55.92 PSI 119 119 A 73 GLY C A 74 VAL N A 74 VAL CA A 74 VAL C 1.0 -140.0 -100.00 PHI 120 120 A 74 VAL N A 74 VAL CA A 74 VAL C A 75 ILE N 1.0 -30.0 30.00 PSI 121 121 A 75 ILE C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -150.0 -80.32 PHI 122 122 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 ILE N 1.0 100.0 150.54 PSI 123 123 A 76 ALA C A 77 ILE N A 77 ILE CA A 77 ILE C 1.0 -150.0 -98.02 PHI 124 124 A 77 ILE N A 77 ILE CA A 77 ILE C A 78 GLY N 1.0 100.0 164.52 PSI 125 125 A 77 ILE C A 78 GLY N A 78 GLY CA A 78 GLY C 1.0 40.0 100.00 PHI 126 126 A 78 GLY N A 78 GLY CA A 78 GLY C A 79 CYS N 1.0 10.0 90.00 PSI 127 127 A 78 GLY C A 79 CYS N A 79 CYS CA A 79 CYS C 1.0 -170.0 -99.94 PHI 128 128 A 79 CYS N A 79 CYS CA A 79 CYS C A 80 LEU N 1.0 130.0 179.90 PSI 129 129 A 79 CYS C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -180.0 -61.28 PHI 130 130 A 80 LEU N A 80 LEU CA A 80 LEU C A 81 PRO N 1.0 90.0 211.34 PSI 131 131 A 80 LEU C A 81 PRO N A 81 PRO CA A 81 PRO C 1.0 -120.0 -17.92 PHI 132 132 A 81 PRO N A 81 PRO CA A 81 PRO C A 82 VAL N 1.0 100.0 189.04 PSI 133 133 A 81 PRO C A 82 VAL N A 82 VAL CA A 82 VAL C 1.0 -150.0 -66.00 PHI 134 134 A 82 VAL N A 82 VAL CA A 82 VAL C A 83 THR N 1.0 90.0 159.24 PSI stop_ save_