data_nef_c34298_6h0i 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 6H0I 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 39 CYS SG 1 55 CYS SG 1 44 CYS SG 1 58 CYS SG 1 50 CYS SG 1 64 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 MET start . . 2 A 2 CYS middle . . 3 A 3 GLU middle . . 4 A 4 PHE middle . . 5 A 5 ILE middle . . 6 A 6 GLU middle . . 7 A 7 ASP middle . . 8 A 8 SER middle . . 9 A 9 GLU middle . . 10 A 10 ASP middle . . 11 A 11 ILE middle . . 12 A 12 GLN middle . . 13 A 13 GLY middle . false 14 A 14 LEU middle . . 15 A 15 LYS middle . . 16 A 16 SER middle . . 17 A 17 LEU middle . . 18 A 18 ARG middle . . 19 A 19 LYS middle . . 20 A 20 SER middle . . 21 A 21 HIS middle . . 22 A 22 THR middle . . 23 A 23 SER middle . . 24 A 24 LEU middle . . 25 A 25 GLU middle . . 26 A 26 ASP middle . . 27 A 27 ASP middle . . 28 A 28 ASP middle . . 29 A 29 ASP middle . . 30 A 30 GLY middle . false 31 A 31 SER middle . . 32 A 32 ARG middle . . 33 A 33 GLY middle . false 34 A 34 GLY middle . false 35 A 35 ASP middle . . 36 A 36 CYS middle . . 37 A 37 GLU middle . . 38 A 38 GLY middle . false 39 A 39 CYS middle -HG . 40 A 40 SER middle . . 41 A 41 GLY middle . false 42 A 42 THR middle . . 43 A 43 ALA middle . . 44 A 44 CYS middle -HG . 45 A 45 SER middle . . 46 A 46 SER middle . . 47 A 47 ASP middle . . 48 A 48 ALA middle . . 49 A 49 GLN middle . . 50 A 50 CYS middle -HG . 51 A 51 ARG middle . . 52 A 52 ALA middle . . 53 A 53 ARG middle . . 54 A 54 GLY middle . false 55 A 55 CYS middle -HG . 56 A 56 ASP middle . . 57 A 57 GLY middle . false 58 A 58 CYS middle -HG . 59 A 59 SER middle . . 60 A 60 THR middle . . 61 A 61 SER middle . . 62 A 62 GLY middle . false 63 A 63 VAL middle . . 64 A 64 CYS middle -HG . 65 A 65 VAL middle . . 66 A 66 LEU middle . . 67 A 67 SER middle . . 68 A 68 SER middle . . 69 A 69 LEU middle . . 70 A 70 HIS middle . . 71 A 71 HIS middle . . 72 A 72 HIS middle . . 73 A 73 HIS middle . . 74 A 74 HIS middle . . 75 A 75 HIS 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 3 GLU C C 13 176.100 . A 4 PHE H H 1 8.324 0.009 A 4 PHE HA H 1 4.577 0.016 A 4 PHE HBx H 1 2.968 0.016 A 4 PHE HBy H 1 3.032 0.017 A 4 PHE C C 13 174.987 . A 4 PHE N N 15 121.155 0.075 A 5 ILE H H 1 8.079 0.011 A 5 ILE HA H 1 4.071 0.002 A 5 ILE HB H 1 1.716 0.006 A 5 ILE HD1% H 1 0.016 . A 5 ILE HG1y H 1 1.358 . A 5 ILE HG1x H 1 0.803 0.006 A 5 ILE HG2% H 1 0.811 0.008 A 5 ILE C C 13 175.530 . A 5 ILE CA C 13 60.741 . A 5 ILE N N 15 124.058 0.08 A 6 GLU H H 1 8.458 0.007 A 6 GLU HA H 1 4.181 0.011 A 6 GLU HBx H 1 1.892 0.008 A 6 GLU HBy H 1 1.993 0.009 A 6 GLU HG2 H 1 2.230 0.006 A 6 GLU HG3 H 1 2.230 0.006 A 6 GLU CA C 13 56.724 . A 6 GLU N N 15 125.502 0.063 A 7 ASP H H 1 8.424 0.005 A 7 ASP HA H 1 4.599 0.003 A 7 ASP HBx H 1 2.604 0.007 A 7 ASP HBy H 1 2.694 0.005 A 7 ASP C C 13 176.219 . A 7 ASP CA C 13 54.214 . A 7 ASP N N 15 122.032 0.119 A 8 SER H H 1 8.252 0.005 A 8 SER HA H 1 4.354 0.0 A 8 SER HBx H 1 3.807 . A 8 SER HBy H 1 3.884 0.003 A 8 SER CA C 13 58.890 . A 8 SER N N 15 116.351 0.065 A 9 GLU H H 1 8.452 0.017 A 9 GLU HA H 1 4.214 0.002 A 9 GLU HG3 H 1 2.366 . A 9 GLU C C 13 176.300 . A 9 GLU CA C 13 56.940 . A 9 GLU N N 15 122.113 0.043 A 11 ILE H H 1 8.050 0.005 A 11 ILE HA H 1 4.042 0.007 A 11 ILE HB H 1 1.894 0.008 A 11 ILE HD1% H 1 0.027 . A 11 ILE HG1y H 1 1.410 0.001 A 11 ILE HG1x H 1 1.195 0.001 A 11 ILE HG2% H 1 0.868 0.007 A 11 ILE C C 13 176.964 . A 11 ILE CA C 13 62.007 . A 11 ILE N N 15 121.243 0.166 A 12 GLN H H 1 8.435 0.006 A 12 GLN HA H 1 4.204 0.003 A 12 GLN HBx H 1 1.999 0.008 A 12 GLN HBy H 1 2.033 0.022 A 12 GLN HE21 H 1 6.838 0.006 A 12 GLN HE22 H 1 7.568 0.007 A 12 GLN HGy H 1 2.353 0.002 A 12 GLN HGx H 1 2.109 0.004 A 12 GLN C C 13 176.969 . A 12 GLN CA C 13 56.661 . A 12 GLN N N 15 121.497 0.1 A 12 GLN NE2 N 15 112.421 0.046 A 13 GLY H H 1 8.221 0.007 A 13 GLY HAy H 1 3.892 0.007 A 13 GLY HAx H 1 3.889 0.003 A 13 GLY C C 13 174.676 . A 13 GLY CA C 13 45.759 . A 13 GLY N N 15 108.963 0.052 A 14 LEU H H 1 8.096 0.005 A 14 LEU HA H 1 4.229 0.01 A 14 LEU HB3 H 1 1.639 0.015 A 14 LEU HD1% H 1 -0.143 . A 14 LEU HD2% H 1 -0.143 . A 14 LEU CA C 13 55.829 . A 14 LEU N N 15 121.482 0.084 A 15 LYS H H 1 8.425 0.006 A 15 LYS HA H 1 4.197 0.005 A 15 LYS HBx H 1 1.760 0.011 A 15 LYS HBy H 1 1.773 0.012 A 15 LYS HGy H 1 1.417 0.006 A 15 LYS HGx H 1 1.391 0.014 A 15 LYS C C 13 174.649 . A 15 LYS CA C 13 56.081 . A 15 LYS N N 15 120.960 0.126 A 16 SER H H 1 8.082 0.004 A 16 SER HA H 1 4.335 0.007 A 16 SER HBx H 1 3.833 0.001 A 16 SER HBy H 1 3.839 0.01 A 16 SER C C 13 174.662 . A 16 SER CA C 13 58.799 . A 16 SER N N 15 115.427 0.06 A 17 LEU H H 1 8.085 0.004 A 17 LEU HA H 1 4.296 0.008 A 17 LEU HBy H 1 1.693 . A 17 LEU HBx H 1 1.607 0.004 A 17 LEU HD1% H 1 0.825 0.016 A 17 LEU C C 13 177.433 . A 17 LEU CA C 13 55.476 . A 17 LEU N N 15 123.608 0.101 A 18 ARG H H 1 8.170 0.026 A 18 ARG HA H 1 4.253 0.007 A 18 ARG HBx H 1 1.726 0.007 A 18 ARG HBy H 1 1.801 0.009 A 18 ARG HD2 H 1 3.133 0.001 A 18 ARG HD3 H 1 3.133 0.001 A 18 ARG HGx H 1 1.587 0.016 A 18 ARG HGy H 1 1.587 0.016 A 18 ARG C C 13 176.300 . A 18 ARG CA C 13 56.094 . A 18 ARG N N 15 121.252 0.303 A 19 LYS H H 1 8.288 0.005 A 19 LYS HA H 1 4.279 0.005 A 19 LYS HBx H 1 1.705 0.003 A 19 LYS HBy H 1 1.782 0.011 A 19 LYS HG2 H 1 1.397 0.006 A 19 LYS HG3 H 1 1.397 0.006 A 19 LYS C C 13 176.494 . A 19 LYS CA C 13 56.290 . A 19 LYS N N 15 122.482 0.102 A 20 SER H H 1 8.311 0.01 A 20 SER HA H 1 4.370 0.008 A 20 SER HB2 H 1 3.796 0.0 A 20 SER HB3 H 1 3.796 0.0 A 20 SER CA C 13 58.315 . A 20 SER N N 15 116.680 0.093 A 21 HIS H H 1 8.534 0.001 A 21 HIS HA H 1 4.764 0.012 A 21 HIS HBy H 1 3.251 0.003 A 21 HIS HBx H 1 3.145 0.002 A 21 HIS C C 13 174.675 . A 21 HIS CA C 13 55.751 . A 21 HIS N N 15 120.612 0.025 A 22 THR H H 1 8.254 0.03 A 22 THR HA H 1 4.360 0.009 A 22 THR HB H 1 4.224 0.011 A 22 THR HG2% H 1 1.135 0.006 A 22 THR C C 13 174.408 . A 22 THR CA C 13 61.830 . A 22 THR N N 15 115.318 0.688 A 23 SER H H 1 8.390 0.034 A 23 SER HA H 1 4.444 0.013 A 23 SER HBx H 1 3.783 . A 23 SER HBy H 1 3.860 0.0 A 23 SER C C 13 174.494 . A 23 SER CA C 13 58.323 . A 23 SER N N 15 117.889 0.723 A 24 LEU H H 1 8.331 0.005 A 24 LEU HA H 1 4.292 0.007 A 24 LEU HB2 H 1 1.581 0.012 A 24 LEU HB3 H 1 1.581 0.012 A 24 LEU HDx% H 1 0.845 0.017 A 24 LEU HDy% H 1 1.243 . A 24 LEU C C 13 177.547 . A 24 LEU CA C 13 55.703 . A 24 LEU N N 15 123.775 0.082 A 25 GLU H H 1 8.294 0.008 A 25 GLU HA H 1 4.210 0.012 A 25 GLU HBx H 1 1.875 0.003 A 25 GLU HBy H 1 2.011 0.006 A 25 GLU HG2 H 1 2.212 0.006 A 25 GLU HG3 H 1 2.212 0.006 A 25 GLU C C 13 176.100 . A 25 GLU CA C 13 56.727 . A 25 GLU N N 15 119.999 0.113 A 26 ASP H H 1 8.163 0.009 A 26 ASP HA H 1 4.547 0.002 A 26 ASP HBy H 1 2.649 0.006 A 26 ASP HBx H 1 2.583 0.009 A 26 ASP C C 13 175.815 . A 26 ASP CA C 13 54.574 . A 26 ASP N N 15 120.490 0.107 A 27 ASP H H 1 8.196 0.009 A 27 ASP HA H 1 4.562 0.003 A 27 ASP HB2 H 1 2.623 0.006 A 27 ASP HB3 H 1 2.623 0.006 A 27 ASP C C 13 175.914 . A 27 ASP CA C 13 54.357 . A 27 ASP N N 15 120.446 0.063 A 28 ASP H H 1 8.252 0.005 A 28 ASP HA H 1 4.571 0.006 A 28 ASP HBy H 1 2.725 0.02 A 28 ASP HBx H 1 2.696 0.004 A 28 ASP C C 13 176.135 . A 28 ASP CA C 13 54.367 . A 28 ASP N N 15 120.858 0.065 A 29 ASP H H 1 8.325 0.011 A 29 ASP HA H 1 4.534 0.004 A 29 ASP HBx H 1 2.659 0.001 A 29 ASP HBy H 1 2.660 0.002 A 29 ASP C C 13 177.242 . A 29 ASP CA C 13 54.376 . A 29 ASP N N 15 121.699 0.064 A 30 GLY H H 1 8.516 0.006 A 30 GLY HAx H 1 3.876 0.011 A 30 GLY HAy H 1 3.950 0.014 A 30 GLY C C 13 174.933 . A 30 GLY CA C 13 45.760 . A 30 GLY N N 15 109.523 0.076 A 31 SER H H 1 8.258 0.012 A 31 SER HA H 1 4.362 0.008 A 31 SER C C 13 174.974 . A 31 SER CA C 13 58.880 . A 31 SER N N 15 116.131 0.152 A 32 ARG H H 1 8.361 0.004 A 32 ARG HA H 1 4.341 0.005 A 32 ARG HB3 H 1 1.869 0.004 A 32 ARG HD2 H 1 3.148 . A 32 ARG HD3 H 1 3.148 . A 32 ARG HG2 H 1 1.605 0.013 A 32 ARG HG3 H 1 1.605 0.013 A 32 ARG C C 13 176.805 . A 32 ARG CA C 13 56.519 . A 32 ARG N N 15 122.464 0.084 A 33 GLY H H 1 8.337 0.007 A 33 GLY HAy H 1 3.924 0.001 A 33 GLY HAx H 1 3.922 0.004 A 33 GLY C C 13 174.527 . A 33 GLY CA C 13 45.406 . A 33 GLY N N 15 109.274 0.1 A 34 GLY H H 1 8.257 0.011 A 34 GLY HA2 H 1 3.922 0.006 A 34 GLY HA3 H 1 3.922 0.006 A 34 GLY C C 13 173.800 . A 34 GLY CA C 13 45.295 . A 34 GLY N N 15 108.656 0.048 A 35 ASP H H 1 8.317 0.008 A 35 ASP HA H 1 4.626 0.015 A 35 ASP HBy H 1 2.696 0.023 A 35 ASP HBx H 1 2.622 0.018 A 35 ASP CA C 13 54.279 . A 35 ASP N N 15 120.412 0.144 A 36 CYS H H 1 8.361 0.006 A 36 CYS HA H 1 4.247 0.017 A 36 CYS HB2 H 1 2.938 0.02 A 36 CYS HB3 H 1 2.938 0.02 A 36 CYS C C 13 174.782 . A 36 CYS CA C 13 56.988 . A 36 CYS N N 15 119.193 0.151 A 37 GLU H H 1 8.480 0.008 A 37 GLU HA H 1 4.218 0.0 A 37 GLU HBx H 1 1.920 0.019 A 37 GLU HBy H 1 2.018 0.011 A 37 GLU HG2 H 1 2.234 0.008 A 37 GLU HG3 H 1 2.234 0.008 A 37 GLU C C 13 175.900 . A 37 GLU CA C 13 58.841 . A 37 GLU N N 15 122.205 0.056 A 38 GLY H H 1 8.325 0.013 A 38 GLY HAx H 1 3.910 0.012 A 38 GLY HAy H 1 3.963 0.021 A 38 GLY C C 13 176.958 . A 38 GLY CA C 13 44.966 . A 38 GLY N N 15 109.801 0.092 A 39 CYS H H 1 8.322 0.013 A 39 CYS HA H 1 4.386 0.008 A 39 CYS HB2 H 1 2.753 . A 39 CYS HB3 H 1 2.753 . A 39 CYS CA C 13 58.211 . A 39 CYS N N 15 116.468 0.143 A 40 SER H H 1 8.665 0.015 A 40 SER HB3 H 1 3.905 0.009 A 40 SER N N 15 122.846 0.111 A 41 GLY H H 1 9.012 0.004 A 41 GLY HAx H 1 3.544 0.005 A 41 GLY HAy H 1 4.346 0.004 A 41 GLY C C 13 174.206 . A 41 GLY N N 15 112.627 0.086 A 42 THR H H 1 7.628 0.005 A 42 THR HA H 1 4.272 0.007 A 42 THR C C 13 173.648 . A 42 THR CA C 13 61.166 . A 42 THR N N 15 111.564 0.063 A 43 ALA H H 1 8.483 0.005 A 43 ALA HA H 1 4.677 0.018 A 43 ALA HB% H 1 1.412 0.001 A 43 ALA CA C 13 52.824 . A 43 ALA N N 15 125.020 0.08 A 44 CYS H H 1 8.511 0.011 A 44 CYS HA H 1 5.041 0.006 A 44 CYS HBy H 1 3.166 0.009 A 44 CYS HBx H 1 2.925 0.014 A 44 CYS C C 13 173.020 . A 44 CYS CA C 13 53.993 . A 44 CYS N N 15 117.480 0.095 A 45 SER H H 1 9.486 0.007 A 45 SER HA H 1 4.590 0.009 A 45 SER HBx H 1 3.758 0.004 A 45 SER HBy H 1 3.989 0.008 A 45 SER C C 13 173.954 . A 45 SER CA C 13 57.503 . A 45 SER N N 15 111.459 0.064 A 46 SER H H 1 7.707 0.006 A 46 SER HA H 1 4.802 0.007 A 46 SER HBx H 1 4.128 0.011 A 46 SER HBy H 1 4.131 0.008 A 46 SER C C 13 174.300 . A 46 SER CA C 13 57.032 . A 46 SER N N 15 115.351 0.039 A 47 ASP H H 1 9.103 0.01 A 47 ASP HA H 1 4.113 0.01 A 47 ASP HBy H 1 3.158 0.005 A 47 ASP HBx H 1 2.642 0.007 A 47 ASP C C 13 178.600 . A 47 ASP CA C 13 58.211 . A 47 ASP N N 15 122.548 0.043 A 48 ALA H H 1 8.646 0.008 A 48 ALA HA H 1 3.898 0.007 A 48 ALA HB% H 1 1.405 0.005 A 48 ALA C C 13 180.474 . A 48 ALA CA C 13 55.713 . A 48 ALA N N 15 122.117 0.042 A 49 GLN H H 1 7.543 0.005 A 49 GLN HA H 1 4.011 0.006 A 49 GLN HBx H 1 1.853 . A 49 GLN HBy H 1 2.002 . A 49 GLN HE21 H 1 6.908 0.007 A 49 GLN HE22 H 1 7.435 0.004 A 49 GLN HGy H 1 2.413 0.014 A 49 GLN HGx H 1 2.264 0.016 A 49 GLN C C 13 178.600 . A 49 GLN CA C 13 58.206 . A 49 GLN N N 15 117.861 0.05 A 49 GLN NE2 N 15 111.505 0.069 A 50 CYS H H 1 6.934 0.004 A 50 CYS HA H 1 4.316 0.005 A 50 CYS HBy H 1 2.628 0.025 A 50 CYS HBx H 1 2.455 0.007 A 50 CYS C C 13 177.770 . A 50 CYS CA C 13 56.993 . A 50 CYS N N 15 114.999 0.046 A 51 ARG H H 1 8.720 0.006 A 51 ARG HA H 1 4.648 0.003 A 51 ARG HBx H 1 1.742 0.002 A 51 ARG HBy H 1 1.873 0.005 A 51 ARG HDy H 1 3.205 0.018 A 51 ARG HDx H 1 3.009 0.011 A 51 ARG HGy H 1 1.602 0.014 A 51 ARG HGx H 1 1.601 0.013 A 51 ARG C C 13 180.400 . A 51 ARG CA C 13 59.093 . A 51 ARG N N 15 124.138 0.039 A 52 ALA H H 1 7.746 0.007 A 52 ALA HA H 1 4.198 0.008 A 52 ALA HB% H 1 1.504 0.009 A 52 ALA C C 13 178.100 . A 52 ALA CA C 13 54.161 . A 52 ALA N N 15 121.893 0.041 A 53 ARG H H 1 7.064 0.01 A 53 ARG HA H 1 4.470 0.017 A 53 ARG HBy H 1 1.900 0.004 A 53 ARG HBx H 1 1.750 0.004 A 53 ARG HDx H 1 3.197 0.015 A 53 ARG HDy H 1 3.197 0.015 A 53 ARG C C 13 175.485 . A 53 ARG CA C 13 55.300 . A 53 ARG N N 15 113.573 0.073 A 54 GLY H H 1 7.647 0.005 A 54 GLY HAx H 1 3.701 0.008 A 54 GLY HAy H 1 4.286 0.006 A 54 GLY C C 13 174.000 . A 54 GLY CA C 13 45.293 . A 54 GLY N N 15 105.363 0.067 A 55 CYS H H 1 8.213 0.007 A 55 CYS HA H 1 5.003 0.007 A 55 CYS HBy H 1 2.844 0.006 A 55 CYS HBx H 1 2.719 0.011 A 55 CYS CA C 13 58.666 . A 55 CYS N N 15 122.984 0.041 A 56 ASP H H 1 8.518 0.006 A 56 ASP HA H 1 4.771 0.023 A 56 ASP HBy H 1 2.649 0.007 A 56 ASP HBx H 1 2.484 0.004 A 56 ASP C C 13 176.394 . A 56 ASP CA C 13 57.057 . A 56 ASP N N 15 117.360 0.12 A 57 GLY H H 1 7.293 0.006 A 57 GLY HAy H 1 3.864 0.01 A 57 GLY HAx H 1 3.850 0.014 A 57 GLY CA C 13 44.856 . A 57 GLY N N 15 101.847 0.059 A 58 CYS H H 1 9.609 0.007 A 58 CYS HA H 1 5.052 0.002 A 58 CYS HBy H 1 2.940 0.009 A 58 CYS HBx H 1 2.653 0.005 A 58 CYS C C 13 174.183 . A 58 CYS CA C 13 54.368 . A 58 CYS N N 15 122.536 0.034 A 59 SER H H 1 9.169 0.006 A 59 SER HA H 1 4.611 0.014 A 59 SER HB2 H 1 3.616 . A 59 SER HB3 H 1 3.616 . A 59 SER C C 13 176.585 . A 59 SER CA C 13 57.883 . A 59 SER N N 15 124.696 0.047 A 60 THR H H 1 8.916 0.007 A 60 THR HA H 1 4.088 0.004 A 60 THR HB H 1 4.761 0.02 A 60 THR HG2% H 1 1.325 0.001 A 60 THR C C 13 175.888 . A 60 THR CA C 13 64.730 . A 60 THR N N 15 114.676 0.073 A 61 SER H H 1 7.949 0.005 A 61 SER HA H 1 4.533 0.013 A 61 SER HBx H 1 3.880 0.001 A 61 SER HBy H 1 3.881 0.002 A 61 SER C C 13 174.451 . A 61 SER CA C 13 58.290 . A 61 SER N N 15 114.883 0.051 A 62 GLY H H 1 8.180 0.007 A 62 GLY HAx H 1 3.800 0.005 A 62 GLY HAy H 1 4.095 0.017 A 62 GLY C C 13 175.318 . A 62 GLY CA C 13 46.779 . A 62 GLY N N 15 110.688 0.046 A 63 VAL H H 1 7.137 0.006 A 63 VAL HA H 1 5.370 0.004 A 63 VAL HB H 1 1.644 0.007 A 63 VAL HGx% H 1 0.643 0.022 A 63 VAL HGy% H 1 0.639 0.02 A 63 VAL C C 13 176.969 . A 63 VAL CA C 13 58.505 . A 63 VAL N N 15 110.745 0.043 A 64 CYS H H 1 9.169 0.007 A 64 CYS HA H 1 5.373 0.004 A 64 CYS HBx H 1 2.689 0.006 A 64 CYS HBy H 1 3.216 0.011 A 64 CYS C C 13 175.824 . A 64 CYS CA C 13 54.097 . A 64 CYS N N 15 120.059 0.043 A 65 VAL H H 1 8.822 0.006 A 65 VAL HA H 1 4.653 0.004 A 65 VAL HB H 1 2.051 0.001 A 65 VAL HGx% H 1 0.725 0.015 A 65 VAL HGy% H 1 0.874 0.008 A 65 VAL C C 13 174.702 . A 65 VAL CA C 13 59.852 . A 65 VAL N N 15 116.426 0.049 A 66 LEU H H 1 8.626 0.005 A 66 LEU HA H 1 4.669 0.001 A 66 LEU HB3 H 1 1.601 0.004 A 66 LEU CA C 13 54.269 . A 66 LEU N N 15 125.415 0.082 A 67 SER H H 1 9.624 0.012 A 67 SER HA H 1 4.410 0.013 A 67 SER HBx H 1 3.718 0.003 A 67 SER HBy H 1 3.845 0.007 A 67 SER C C 13 176.529 . A 67 SER CA C 13 58.597 . A 67 SER N N 15 120.617 0.054 A 68 SER H H 1 8.488 0.014 A 68 SER HA H 1 4.634 0.003 A 68 SER HB3 H 1 4.301 0.002 A 68 SER C C 13 174.519 . A 68 SER N N 15 118.712 0.083 A 69 LEU H H 1 8.006 0.008 A 69 LEU HA H 1 4.192 0.004 A 69 LEU HBx H 1 1.400 . A 69 LEU HBy H 1 1.402 0.002 A 69 LEU CA C 13 55.419 . A 69 LEU N N 15 122.223 0.083 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 59 SER H A 63 VAL HGy% 1.0 2.989 4.981 2 1 A 59 SER H A 63 VAL HGx% 1.0 2.989 4.981 3 2 A 60 THR H A 62 GLY H 1.0 4.237 7.061 4 3 A 46 SER H A 44 CYS HBx 1.0 2.359 3.931 5 4 A 60 THR H A 60 THR HB 1.0 3.333 5.555 6 5 A 27 ASP H A 26 ASP HA 1.0 1.892 3.154 7 6 A 47 ASP H A 48 ALA HB% 1.0 3.473 5.787 8 7 A 16 SER H A 15 LYS HGx 1.0 3.647 6.077 9 8 A 58 CYS H A 58 CYS HBx 1.0 2.311 3.851 10 9 A 46 SER H A 49 GLN HGx 1.0 3.202 5.336 11 10 A 30 GLY H A 29 ASP HBy 1.0 3.071 5.119 12 11 A 52 ALA H A 50 CYS H 1.0 3.058 5.096 13 12 A 46 SER H A 49 GLN HE22 1.0 3.533 5.889 14 13 A 41 GLY H A 63 VAL HB 1.0 3.377 5.629 15 14 A 44 CYS H A 45 SER H 1.0 3.485 5.809 16 15 A 50 CYS H A 49 GLN HA 1.0 2.683 4.471 17 16 A 63 VAL HGx% A 61 SER H 1.0 3.394 5.656 18 17 A 59 SER H A 63 VAL H 1.0 2.590 4.316 19 18 A 56 ASP H A 55 CYS HA 1.0 2.444 4.074 20 19 A 49 GLN HE22 A 49 GLN HE21 1.0 1.723 2.871 21 20 A 22 THR H A 21 HIS HA 1.0 2.914 4.856 22 21 A 55 CYS H A 50 CYS HBx 1.0 3.083 5.137 23 22 A 58 CYS H A 56 ASP H 1.0 3.476 5.792 24 23 A 27 ASP H A 26 ASP HBy 1.0 2.259 3.765 25 24 A 47 ASP H A 48 ALA H 1.0 3.096 5.160 26 25 A 59 SER H A 60 THR H 1.0 3.343 5.571 27 26 A 16 SER H A 15 LYS HBx 1.0 2.876 4.794 28 27 A 37 GLU H A 35 ASP HBx 1.0 3.539 5.899 29 28 A 50 CYS H A 49 GLN HA 1.0 2.693 4.487 30 29 A 39 CYS H A 40 SER HB3 1.0 2.806 4.678 31 30 A 23 SER H A 22 THR HB 1.0 2.792 4.654 32 31 A 36 CYS H A 36 CYS HB3 1.0 2.604 4.340 33 31 A 36 CYS H A 36 CYS HB2 1.0 2.604 4.340 34 32 A 58 CYS H A 50 CYS H 1.0 3.565 5.941 35 33 A 50 CYS H A 48 ALA HA 1.0 2.934 4.890 36 34 A 57 GLY H A 66 LEU HB3 1.0 3.590 5.984 37 35 A 34 GLY H A 32 ARG HA 1.0 3.659 6.099 38 36 A 46 SER H A 44 CYS HBy 1.0 2.476 4.126 39 36 A 46 SER H A 58 CYS HBy 1.0 2.476 4.126 40 37 A 59 SER H A 64 CYS HA 1.0 2.573 4.287 41 38 A 14 LEU H A 12 GLN HBx 1.0 3.532 5.886 42 39 A 48 ALA H A 49 GLN H 1.0 2.673 4.455 43 40 A 7 ASP H A 6 GLU HA 1.0 1.986 3.310 44 41 A 54 GLY H A 55 CYS HBx 1.0 4.072 6.788 45 42 A 62 GLY H A 62 GLY HAx 1.0 2.139 3.565 46 43 A 18 ARG H A 18 ARG HA 1.0 2.280 3.800 47 44 A 27 ASP H A 26 ASP HBx 1.0 2.188 3.648 48 45 A 5 ILE H A 4 PHE HBx 1.0 3.457 5.761 49 45 A 5 ILE H A 4 PHE HBy 1.0 3.457 5.761 50 46 A 16 SER H A 14 LEU HB3 1.0 3.113 5.189 51 47 A 25 GLU H A 25 GLU HBy 1.0 2.556 4.260 52 48 A 35 ASP HBx A 35 ASP H 1.0 2.852 4.754 53 49 A 56 ASP H A 55 CYS HA 1.0 2.422 4.036 54 50 A 39 CYS H A 40 SER H 1.0 3.216 5.360 55 51 A 52 ALA H A 51 ARG HDy 1.0 3.616 6.026 56 52 A 48 ALA HA A 51 ARG H 1.0 2.590 4.318 57 53 A 59 SER H A 58 CYS HBx 1.0 3.030 5.050 58 54 A 35 ASP H A 34 GLY HA2 1.0 2.525 4.209 59 54 A 35 ASP H A 34 GLY HA3 1.0 2.525 4.209 60 55 A 8 SER H A 5 ILE HG2% 1.0 3.271 5.451 61 56 A 14 LEU H A 15 LYS HBy 1.0 3.270 5.450 62 56 A 15 LYS HBx A 14 LEU H 1.0 3.270 5.450 63 57 A 66 LEU HB3 A 66 LEU H 1.0 2.367 3.945 64 58 A 62 GLY H A 62 GLY HAy 1.0 2.098 3.496 65 59 A 12 GLN H A 13 GLY HAx 1.0 3.002 5.004 66 60 A 17 LEU H A 18 ARG HBy 1.0 2.944 4.908 67 61 A 57 GLY H A 65 VAL HB 1.0 3.520 5.866 68 62 A 18 ARG H A 18 ARG HGy 1.0 2.432 4.054 69 62 A 18 ARG H A 18 ARG HGx 1.0 2.432 4.054 70 63 A 5 ILE H A 5 ILE HA 1.0 2.886 4.810 71 64 A 43 ALA H A 42 THR HA 1.0 1.929 3.215 72 65 A 37 GLU H A 38 GLY HAx 1.0 2.681 4.469 73 66 A 41 GLY H A 41 GLY HAy 1.0 2.943 4.905 74 67 A 35 ASP H A 35 ASP HBy 1.0 2.747 4.577 75 68 A 49 GLN HE22 A 49 GLN HA 1.0 3.539 5.897 76 69 A 52 ALA H A 51 ARG H 1.0 2.401 4.001 77 70 A 61 SER H A 61 SER HBx 1.0 2.397 3.995 78 70 A 61 SER H A 61 SER HBy 1.0 2.397 3.995 79 71 A 52 ALA H A 49 GLN HGy 1.0 3.628 6.046 80 72 A 58 CYS H A 65 VAL H 1.0 4.492 7.486 81 73 A 47 ASP H A 49 GLN H 1.0 4.069 6.781 82 74 A 37 GLU H A 37 GLU HBx 1.0 2.512 4.186 83 75 A 22 THR H A 21 HIS HBx 1.0 3.606 6.010 84 76 A 14 LEU H A 14 LEU HB3 1.0 2.162 3.602 85 77 A 12 GLN HBx A 13 GLY H 1.0 2.810 4.684 86 78 A 55 CYS H A 54 GLY H 1.0 2.382 3.970 87 79 A 49 GLN HA A 51 ARG H 1.0 3.273 5.455 88 80 A 18 ARG H A 19 LYS H 1.0 2.683 4.471 89 81 A 35 ASP H A 35 ASP HA 1.0 2.799 4.665 90 82 A 53 ARG H A 50 CYS HA 1.0 2.815 4.691 91 83 A 25 GLU H A 24 LEU HDx% 1.0 3.010 5.016 92 84 A 63 VAL H A 61 SER HA 1.0 3.524 5.874 93 85 A 14 LEU H A 11 ILE HA 1.0 3.236 5.394 94 86 A 49 GLN H A 51 ARG H 1.0 3.272 5.454 95 87 A 46 SER H A 45 SER H 1.0 2.067 3.445 96 88 A 59 SER H A 62 GLY H 1.0 3.155 5.259 97 89 A 49 GLN HA A 49 GLN H 1.0 2.245 3.741 98 90 A 61 SER H A 60 THR HG2% 1.0 3.169 5.283 99 91 A 8 SER H A 6 GLU HG3 1.0 3.451 5.753 100 91 A 8 SER H A 6 GLU HG2 1.0 3.451 5.753 101 92 A 48 ALA HB% A 52 ALA H 1.0 2.856 4.760 102 93 A 54 GLY H A 51 ARG HDx 1.0 4.152 6.920 103 94 A 50 CYS H A 51 ARG HA 1.0 3.483 5.805 104 95 A 64 CYS H A 42 THR H 1.0 3.107 5.179 105 96 A 44 CYS H A 42 THR HA 1.0 3.517 5.863 106 97 A 53 ARG H A 51 ARG HDx 1.0 3.296 5.494 107 98 A 42 THR HA A 64 CYS H 1.0 3.915 6.525 108 99 A 49 GLN HE21 A 44 CYS HA 1.0 3.176 5.294 109 100 A 50 CYS H A 51 ARG H 1.0 2.291 3.817 110 101 A 54 GLY H A 53 ARG H 1.0 2.300 3.834 111 102 A 59 SER H A 67 SER HA 1.0 2.646 4.410 112 103 A 66 LEU H A 67 SER H 1.0 3.453 5.755 113 104 A 7 ASP H A 5 ILE HG2% 1.0 3.018 5.030 114 105 A 52 ALA H A 53 ARG H 1.0 2.458 4.098 115 106 A 54 GLY H A 54 GLY HAx 1.0 2.396 3.992 116 107 A 39 CYS H A 38 GLY HAy 1.0 2.914 4.856 117 108 A 8 SER H A 7 ASP HA 1.0 2.021 3.369 118 109 A 62 GLY H A 61 SER H 1.0 2.475 4.125 119 110 A 12 GLN HBx A 12 GLN H 1.0 2.219 3.697 120 111 A 53 ARG H A 55 CYS HBy 1.0 3.476 5.794 121 112 A 57 GLY H A 65 VAL H 1.0 2.864 4.774 122 113 A 30 GLY H A 30 GLY HAx 1.0 2.160 3.600 123 114 A 7 ASP H A 6 GLU HBx 1.0 2.433 4.055 124 115 A 8 SER H A 6 GLU HBy 1.0 3.250 5.416 125 116 A 69 LEU H A 68 SER H 1.0 3.358 5.596 126 117 A 45 SER H A 49 GLN HE21 1.0 3.202 5.336 127 118 A 50 CYS H A 49 GLN H 1.0 2.282 3.804 128 119 A 67 SER H A 68 SER H 1.0 3.232 5.386 129 120 A 52 ALA H A 51 ARG H 1.0 2.339 3.897 130 121 A 50 CYS H A 56 ASP H 1.0 4.139 6.899 131 122 A 45 SER H A 49 GLN HGy 1.0 3.308 5.514 132 123 A 11 ILE H A 11 ILE HG1y 1.0 2.370 3.950 133 124 A 54 GLY H A 54 GLY HAy 1.0 2.282 3.804 134 125 A 67 SER H A 66 LEU HA 1.0 2.369 3.949 135 126 A 63 VAL HGy% A 44 CYS H 1.0 2.648 4.412 136 127 A 51 ARG H A 52 ALA HA 1.0 3.468 5.780 137 128 A 36 CYS H A 35 ASP HA 1.0 2.487 4.145 138 129 A 44 CYS H A 43 ALA HA 1.0 1.916 3.194 139 130 A 61 SER H A 59 SER HA 1.0 3.196 5.326 140 131 A 49 GLN HE21 A 49 GLN H 1.0 3.190 5.316 141 132 A 58 CYS H A 65 VAL HGy% 1.0 3.661 6.101 142 133 A 59 SER H A 57 GLY HAx 1.0 3.359 5.599 143 134 A 48 ALA H A 46 SER HA 1.0 2.981 4.969 144 135 A 39 CYS H A 64 CYS HBy 1.0 3.077 5.127 145 136 A 62 GLY H A 61 SER HA 1.0 2.651 4.419 146 137 A 53 ARG H A 52 ALA HB% 1.0 2.462 4.104 147 138 A 7 ASP H A 7 ASP HBx 1.0 2.482 4.138 148 139 A 41 GLY H A 63 VAL HA 1.0 4.013 6.689 149 140 A 54 GLY H A 55 CYS HBy 1.0 3.537 5.895 150 141 A 53 ARG H A 53 ARG HBy 1.0 2.498 4.162 151 142 A 62 GLY H A 45 SER HA 1.0 3.335 5.557 152 143 A 67 SER HA A 67 SER H 1.0 2.917 4.863 153 144 A 34 GLY H A 33 GLY HAy 1.0 1.981 3.303 154 144 A 34 GLY H A 33 GLY HAx 1.0 1.981 3.303 155 145 A 58 CYS H A 51 ARG HA 1.0 3.897 6.495 156 146 A 7 ASP H A 33 GLY HAx 1.0 3.175 5.293 157 147 A 62 GLY H A 63 VAL H 1.0 2.192 3.654 158 148 A 59 SER H A 60 THR H 1.0 3.991 6.651 159 149 A 46 SER H A 49 GLN HGy 1.0 2.740 4.566 160 150 A 59 SER H A 65 VAL HGx% 1.0 2.816 4.694 161 151 A 61 SER H A 61 SER HA 1.0 2.582 4.302 162 152 A 67 SER H A 56 ASP HBy 1.0 2.968 4.946 163 153 A 30 GLY H A 28 ASP HBx 1.0 3.120 5.200 164 154 A 59 SER H A 58 CYS HBy 1.0 3.007 5.011 165 155 A 14 LEU H A 13 GLY HAx 1.0 2.120 3.534 166 156 A 47 ASP H A 58 CYS HBy 1.0 3.514 5.856 167 157 A 51 ARG HDy A 51 ARG H 1.0 3.169 5.281 168 158 A 69 LEU H A 69 LEU HBy 1.0 2.456 4.094 169 159 A 6 GLU HA A 6 GLU H 1.0 2.513 4.187 170 160 A 12 GLN HBx A 11 ILE H 1.0 3.426 5.710 171 161 A 50 CYS H A 50 CYS HA 1.0 2.413 4.023 172 162 A 67 SER H A 67 SER HBy 1.0 2.920 4.866 173 163 A 62 GLY H A 63 VAL HA 1.0 3.320 5.534 174 164 A 59 SER H A 65 VAL H 1.0 3.098 5.164 175 165 A 59 SER H A 65 VAL HGy% 1.0 2.739 4.565 176 166 A 50 CYS H A 51 ARG HA 1.0 3.539 5.897 177 167 A 58 CYS H A 57 GLY HAx 1.0 2.236 3.728 178 167 A 58 CYS H A 57 GLY HAy 1.0 2.236 3.728 179 168 A 32 ARG H A 32 ARG HG2 1.0 2.632 4.386 180 168 A 32 ARG H A 32 ARG HG3 1.0 2.632 4.386 181 169 A 56 ASP H A 56 ASP HBy 1.0 2.618 4.364 182 170 A 62 GLY HAx A 64 CYS H 1.0 3.918 6.530 183 171 A 47 ASP H A 47 ASP HBx 1.0 2.410 4.016 184 172 A 51 ARG H A 53 ARG H 1.0 3.420 5.700 185 173 A 30 GLY H A 30 GLY HAx 1.0 2.232 3.720 186 174 A 44 CYS H A 62 GLY HAy 1.0 3.080 5.134 187 175 A 46 SER H A 48 ALA HB% 1.0 3.706 6.176 188 176 A 47 ASP H A 46 SER HA 1.0 2.334 3.890 189 177 A 49 GLN H A 46 SER HA 1.0 3.505 5.841 190 178 A 50 CYS H A 47 ASP HA 1.0 2.756 4.594 191 179 A 67 SER H A 67 SER HBx 1.0 2.890 4.818 192 180 A 52 ALA H A 48 ALA HA 1.0 2.983 4.973 193 181 A 21 HIS HA A 23 SER H 1.0 2.890 4.816 194 182 A 59 SER H A 62 GLY H 1.0 3.336 5.560 195 183 A 6 GLU H A 4 PHE H 1.0 2.587 4.311 196 184 A 15 LYS HGy A 15 LYS H 1.0 2.849 4.747 197 185 A 30 GLY H A 30 GLY HAy 1.0 2.294 3.824 198 186 A 48 ALA H A 49 GLN HGy 1.0 3.831 6.385 199 187 A 52 ALA H A 55 CYS H 1.0 3.317 5.529 200 188 A 12 GLN H A 11 ILE H 1.0 2.265 3.775 201 189 A 60 THR H A 60 THR HA 1.0 2.876 4.794 202 190 A 66 LEU HB3 A 67 SER H 1.0 2.881 4.801 203 191 A 49 GLN H A 46 SER HBx 1.0 2.934 4.890 204 191 A 49 GLN H A 46 SER HBy 1.0 2.934 4.890 205 192 A 50 CYS H A 46 SER HA 1.0 3.773 6.287 206 193 A 52 ALA H A 51 ARG HA 1.0 2.792 4.654 207 194 A 37 GLU H A 38 GLY H 1.0 2.779 4.633 208 195 A 55 CYS HA A 57 GLY H 1.0 3.181 5.301 209 196 A 53 ARG H A 53 ARG HDy 1.0 3.179 5.299 210 196 A 53 ARG H A 53 ARG HDx 1.0 3.179 5.299 211 197 A 57 GLY H A 65 VAL H 1.0 2.758 4.598 212 198 A 43 ALA H A 43 ALA HB% 1.0 1.964 3.274 213 199 A 4 PHE HBx A 4 PHE H 1.0 2.708 4.514 214 200 A 41 GLY H A 64 CYS HBx 1.0 3.889 6.481 215 201 A 65 VAL H A 64 CYS H 1.0 3.004 5.006 216 202 A 58 CYS H A 58 CYS HBy 1.0 2.482 4.136 217 203 A 62 GLY H A 63 VAL H 1.0 2.252 3.752 218 204 A 11 ILE H A 11 ILE HB 1.0 2.141 3.567 219 205 A 15 LYS HBx A 15 LYS H 1.0 2.405 4.009 220 206 A 63 VAL H A 64 CYS H 1.0 2.778 4.630 221 207 A 49 GLN HGx A 49 GLN H 1.0 2.351 3.919 222 208 A 36 CYS H A 35 ASP HBy 1.0 3.248 5.414 223 209 A 43 ALA H A 63 VAL HA 1.0 3.594 5.990 224 210 A 8 SER H A 8 SER HBy 1.0 2.438 4.062 225 211 A 43 ALA H A 42 THR H 1.0 3.229 5.383 226 212 A 56 ASP H A 57 GLY H 1.0 2.627 4.377 227 213 A 49 GLN HGx A 49 GLN HE21 1.0 2.722 4.536 228 214 A 46 SER H A 47 ASP H 1.0 3.659 6.097 229 215 A 62 GLY H A 63 VAL HB 1.0 3.914 6.524 230 216 A 17 LEU H A 17 LEU HBy 1.0 2.104 3.508 231 217 A 66 LEU H A 65 VAL HGy% 1.0 2.923 4.871 232 218 A 61 SER H A 63 VAL H 1.0 3.254 5.422 233 219 A 14 LEU H A 15 LYS H 1.0 2.361 3.935 234 220 A 23 SER H A 22 THR HA 1.0 2.222 3.704 235 221 A 54 GLY H A 53 ARG HBy 1.0 3.355 5.591 236 222 A 49 GLN H A 49 GLN HGy 1.0 2.213 3.687 237 223 A 55 CYS H A 55 CYS HBy 1.0 2.489 4.147 238 224 A 32 ARG HG3 A 33 GLY H 1.0 3.344 5.574 239 224 A 32 ARG HG2 A 33 GLY H 1.0 3.344 5.574 240 225 A 58 CYS H A 65 VAL HGx% 1.0 4.415 7.359 241 226 A 43 ALA H A 63 VAL HA 1.0 3.361 5.603 242 227 A 5 ILE H A 4 PHE HBy 1.0 3.247 5.411 243 228 A 60 THR H A 61 SER HBy 1.0 4.046 6.744 244 229 A 36 CYS HB3 A 35 ASP H 1.0 3.569 5.947 245 229 A 36 CYS HB2 A 35 ASP H 1.0 3.569 5.947 246 230 A 6 GLU HA A 5 ILE H 1.0 3.061 5.101 247 231 A 54 GLY H A 53 ARG HDy 1.0 4.180 6.966 248 231 A 54 GLY H A 53 ARG HDx 1.0 4.180 6.966 249 232 A 22 THR H A 22 THR HA 1.0 3.040 5.066 250 233 A 67 SER H A 56 ASP HA 1.0 3.218 5.364 251 234 A 50 CYS H A 51 ARG H 1.0 2.327 3.879 252 235 A 61 SER H A 65 VAL HGy% 1.0 3.851 6.419 253 236 A 37 GLU H A 37 GLU HG3 1.0 2.726 4.544 254 236 A 37 GLU H A 37 GLU HG2 1.0 2.726 4.544 255 237 A 39 CYS H A 64 CYS HBx 1.0 3.239 5.397 256 238 A 54 GLY H A 53 ARG HBx 1.0 2.998 4.996 257 239 A 56 ASP H A 65 VAL H 1.0 3.322 5.536 258 240 A 49 GLN H A 53 ARG H 1.0 3.282 5.470 259 241 A 49 GLN HGx A 45 SER H 1.0 3.791 6.319 260 242 A 47 ASP H A 47 ASP HA 1.0 2.521 4.203 261 242 A 47 ASP H A 46 SER HBy 1.0 2.521 4.203 262 243 A 25 GLU H A 24 LEU HB3 1.0 2.470 4.116 263 243 A 25 GLU H A 24 LEU HB2 1.0 2.470 4.116 264 244 A 45 SER H A 49 GLN H 1.0 3.929 6.549 265 245 A 67 SER H A 56 ASP HBx 1.0 3.245 5.407 266 246 A 52 ALA H A 51 ARG HBy 1.0 2.472 4.120 267 247 A 12 GLN H A 11 ILE HA 1.0 2.175 3.625 268 248 A 52 ALA H A 53 ARG H 1.0 2.321 3.869 269 249 A 7 ASP H A 6 GLU HBy 1.0 2.712 4.520 270 250 A 26 ASP HBx A 26 ASP H 1.0 2.269 3.781 271 251 A 67 SER HA A 69 LEU H 1.0 3.651 6.085 272 252 A 5 ILE H A 4 PHE H 1.0 2.559 4.265 273 253 A 38 GLY HAx A 38 GLY H 1.0 2.450 4.084 274 254 A 55 CYS H A 54 GLY H 1.0 2.363 3.939 275 255 A 12 GLN H A 11 ILE HG2% 1.0 2.660 4.434 276 256 A 49 GLN HA A 49 GLN HE21 1.0 3.458 5.764 277 257 A 54 GLY H A 52 ALA HB% 1.0 3.371 5.619 278 258 A 44 CYS H A 63 VAL H 1.0 3.416 5.694 279 259 A 55 CYS H A 53 ARG HBx 1.0 3.082 5.136 280 260 A 12 GLN H A 11 ILE HG2% 1.0 2.647 4.413 281 261 A 37 GLU H A 37 GLU HA 1.0 2.316 3.860 282 262 A 51 ARG H A 51 ARG HBy 1.0 2.342 3.904 283 263 A 47 ASP H A 48 ALA HA 1.0 2.767 4.611 284 264 A 62 GLY H A 60 THR HB 1.0 3.770 6.284 285 265 A 7 ASP H A 5 ILE HG1x 1.0 3.238 5.398 286 266 A 53 ARG H A 54 GLY HAy 1.0 3.269 5.449 287 267 A 26 ASP H A 25 GLU HG2 1.0 3.096 5.160 288 267 A 26 ASP H A 25 GLU HG3 1.0 3.096 5.160 289 268 A 43 ALA H A 42 THR H 1.0 3.181 5.301 290 269 A 65 VAL HB A 65 VAL H 1.0 2.865 4.775 291 270 A 38 GLY H A 37 GLU HG2 1.0 3.592 5.986 292 270 A 38 GLY H A 37 GLU HG3 1.0 3.592 5.986 293 271 A 12 GLN H A 11 ILE HG1x 1.0 2.924 4.872 294 272 A 62 GLY H A 60 THR HG2% 1.0 3.933 6.555 295 273 A 26 ASP HBy A 26 ASP H 1.0 2.398 3.998 296 274 A 12 GLN H A 13 GLY H 1.0 2.433 4.055 297 275 A 26 ASP HBy A 25 GLU H 1.0 3.317 5.529 298 276 A 5 ILE H A 5 ILE HB 1.0 2.538 4.230 299 277 A 56 ASP H A 55 CYS H 1.0 3.508 5.846 300 278 A 4 PHE HBy A 4 PHE H 1.0 2.739 4.565 301 279 A 55 CYS H A 54 GLY HAx 1.0 2.917 4.861 302 280 A 12 GLN HE22 A 12 GLN HE21 1.0 1.720 2.439 303 281 A 55 CYS H A 51 ARG HA 1.0 2.722 4.538 304 282 A 20 SER H A 19 LYS HA 1.0 2.225 3.709 305 283 A 52 ALA H A 55 CYS H 1.0 3.616 6.028 306 284 A 54 GLY H A 51 ARG HA 1.0 2.884 4.808 307 285 A 26 ASP HA A 26 ASP H 1.0 2.264 3.772 308 286 A 38 GLY H A 37 GLU HBy 1.0 3.332 5.552 309 287 A 25 GLU HBy A 26 ASP H 1.0 2.677 4.461 310 288 A 19 LYS H A 19 LYS HG3 1.0 2.917 4.861 311 288 A 19 LYS H A 19 LYS HG2 1.0 2.917 4.861 312 289 A 18 ARG H A 18 ARG HBx 1.0 2.453 4.089 313 290 A 12 GLN HE21 A 12 GLN HA 1.0 3.389 5.647 314 291 A 38 GLY H A 37 GLU HG2 1.0 3.551 5.919 315 291 A 38 GLY H A 37 GLU HG3 1.0 3.551 5.919 316 292 A 40 SER H A 38 GLY H 1.0 3.086 5.144 317 293 A 56 ASP H A 65 VAL HGx% 1.0 3.115 5.193 318 294 A 67 SER H A 65 VAL HGx% 1.0 3.044 5.074 319 295 A 5 ILE H A 5 ILE HG1y 1.0 3.212 5.354 320 296 A 51 ARG H A 51 ARG HBx 1.0 2.527 4.213 321 297 A 61 SER H A 60 THR HA 1.0 2.780 4.632 322 298 A 59 SER H A 59 SER HA 1.0 2.470 4.118 323 299 A 48 ALA HB% A 49 GLN H 1.0 2.259 3.765 324 300 A 55 CYS H A 53 ARG HA 1.0 3.616 6.026 325 301 A 20 SER H A 20 SER HB2 1.0 2.631 4.385 326 301 A 20 SER H A 20 SER HB3 1.0 2.631 4.385 327 302 A 54 GLY H A 53 ARG HA 1.0 2.875 4.791 328 303 A 27 ASP H A 27 ASP HB3 1.0 2.236 3.728 329 303 A 27 ASP H A 27 ASP HB2 1.0 2.236 3.728 330 304 A 60 THR H A 60 THR HB 1.0 3.299 5.499 331 305 A 26 ASP H A 25 GLU HBx 1.0 2.770 4.618 332 306 A 35 ASP HBx A 36 CYS H 1.0 3.299 5.499 333 307 A 46 SER H A 44 CYS H 1.0 3.790 6.316 334 308 A 12 GLN HE21 A 12 GLN HBy 1.0 3.823 6.371 335 309 A 15 LYS H A 14 LEU HA 1.0 2.129 3.547 336 310 A 30 GLY H A 29 ASP H 1.0 2.417 4.029 337 311 A 26 ASP H A 25 GLU HA 1.0 2.030 3.382 338 312 A 67 SER H A 68 SER H 1.0 3.599 5.999 339 313 A 50 CYS H A 49 GLN H 1.0 2.248 3.748 340 313 A 49 GLN HE21 A 49 GLN H 1.0 2.248 3.748 341 314 A 69 LEU H A 68 SER HB3 1.0 2.659 4.433 342 315 A 63 VAL HGy% A 42 THR H 1.0 3.327 5.545 343 315 A 63 VAL HGx% A 42 THR H 1.0 3.327 5.545 344 316 A 30 GLY H A 29 ASP HA 1.0 2.321 3.869 345 317 A 66 LEU H A 67 SER H 1.0 3.413 5.689 346 318 A 56 ASP H A 57 GLY H 1.0 2.367 3.945 347 319 A 20 SER H A 19 LYS HBx 1.0 3.019 5.033 348 320 A 46 SER H A 43 ALA HA 1.0 3.394 5.656 349 321 A 49 GLN HE21 A 49 GLN HGy 1.0 2.786 4.642 350 322 A 13 GLY H A 12 GLN HA 1.0 2.170 3.616 351 323 A 28 ASP HBx A 28 ASP H 1.0 2.334 3.890 352 324 A 60 THR H A 59 SER HA 1.0 2.614 4.358 353 325 A 53 ARG H A 53 ARG HBx 1.0 2.324 3.874 354 326 A 7 ASP H A 8 SER HBy 1.0 3.252 5.420 355 327 A 44 CYS H A 45 SER H 1.0 3.423 5.705 356 328 A 49 GLN HE22 A 45 SER H 1.0 3.560 5.932 357 329 A 30 GLY H A 31 SER H 1.0 2.459 4.099 358 330 A 25 GLU H A 25 GLU HG2 1.0 2.538 4.230 359 330 A 25 GLU H A 25 GLU HG3 1.0 2.538 4.230 360 331 A 46 SER H A 46 SER HBy 1.0 2.863 4.771 361 332 A 51 ARG H A 51 ARG HGx 1.0 2.330 3.884 362 332 A 51 ARG H A 51 ARG HGy 1.0 2.330 3.884 363 333 A 49 GLN H A 50 CYS HA 1.0 3.451 5.751 364 334 A 55 CYS H A 55 CYS HBx 1.0 2.785 4.641 365 335 A 63 VAL H A 62 GLY HAx 1.0 2.586 4.310 366 336 A 69 LEU H A 69 LEU HA 1.0 2.882 4.804 367 337 A 22 THR H A 22 THR HB 1.0 3.176 5.294 368 338 A 46 SER H A 49 GLN HE21 1.0 3.144 5.240 369 339 A 15 LYS HBx A 15 LYS H 1.0 2.536 4.226 370 339 A 15 LYS HBy A 15 LYS H 1.0 2.536 4.226 371 340 A 19 LYS H A 19 LYS HBy 1.0 2.389 3.983 372 341 A 64 CYS HA A 42 THR H 1.0 3.207 5.345 373 341 A 42 THR H A 63 VAL HA 1.0 3.207 5.345 374 342 A 7 ASP H A 6 GLU HG2 1.0 2.988 4.980 375 342 A 7 ASP H A 6 GLU HG3 1.0 2.988 4.980 376 343 A 46 SER H A 45 SER H 1.0 2.210 3.684 377 344 A 45 SER H A 49 GLN HE21 1.0 3.245 5.409 378 345 A 30 GLY H A 29 ASP HA 1.0 2.424 4.040 379 346 A 18 ARG HA A 19 LYS H 1.0 2.068 3.446 380 347 A 46 SER H A 45 SER HBx 1.0 2.887 4.813 381 348 A 46 SER H A 45 SER HA 1.0 2.651 4.419 382 349 A 40 SER HB3 A 40 SER H 1.0 2.749 4.581 383 350 A 55 CYS H A 54 GLY HAy 1.0 2.950 4.918 384 351 A 69 LEU H A 67 SER HBy 1.0 3.158 5.262 385 352 A 12 GLN H A 11 ILE HB 1.0 2.513 4.189 386 353 A 18 ARG HGx A 19 LYS H 1.0 2.990 4.982 387 353 A 18 ARG HGy A 19 LYS H 1.0 2.990 4.982 388 354 A 13 GLY H A 12 GLN HGy 1.0 2.762 4.604 389 355 A 14 LEU H A 15 LYS H 1.0 2.399 3.999 390 356 A 57 GLY H A 65 VAL HGx% 1.0 3.199 5.331 391 357 A 36 CYS H A 35 ASP HA 1.0 2.508 4.180 392 358 A 44 CYS H A 62 GLY HAx 1.0 3.184 5.306 393 359 A 45 SER H A 44 CYS HA 1.0 2.162 3.602 394 360 A 14 LEU H A 13 GLY H 1.0 2.436 4.060 395 361 A 63 VAL HGx% A 63 VAL H 1.0 2.159 3.597 396 361 A 63 VAL HGy% A 63 VAL H 1.0 2.159 3.597 397 362 A 48 ALA HA A 49 GLN H 1.0 2.621 4.369 398 363 A 41 GLY H A 65 VAL HGx% 1.0 4.564 7.606 399 364 A 6 GLU HBx A 6 GLU H 1.0 2.703 4.505 400 365 A 39 CYS H A 38 GLY HAy 1.0 3.195 5.325 401 366 A 45 SER H A 45 SER HBy 1.0 2.991 4.985 402 367 A 66 LEU H A 65 VAL HGx% 1.0 2.623 4.371 403 368 A 64 CYS HA A 65 VAL H 1.0 2.160 3.600 404 369 A 65 VAL H A 65 VAL HGy% 1.0 2.390 3.984 405 370 A 21 HIS HA A 20 SER H 1.0 2.922 4.870 406 371 A 54 GLY H A 51 ARG H 1.0 4.033 6.723 407 372 A 57 GLY H A 65 VAL HGy% 1.0 2.694 4.490 408 373 A 35 ASP H A 34 GLY HA2 1.0 2.353 3.921 409 373 A 35 ASP H A 34 GLY HA3 1.0 2.353 3.921 410 374 A 25 GLU H A 23 SER HA 1.0 3.082 5.136 411 375 A 12 GLN HE21 A 12 GLN HGx 1.0 3.274 5.456 412 376 A 14 LEU H A 15 LYS H 1.0 2.399 3.999 413 377 A 4 PHE HBx A 4 PHE H 1.0 2.696 4.494 414 378 A 48 ALA HB% A 49 GLN HE21 1.0 4.178 6.962 415 379 A 42 THR H A 41 GLY HAx 1.0 3.013 5.023 416 380 A 44 CYS HBy A 49 GLN H 1.0 3.576 5.960 417 381 A 58 CYS H A 48 ALA H 1.0 4.327 7.211 418 382 A 58 CYS H A 56 ASP H 1.0 3.574 5.956 419 383 A 6 GLU HBy A 6 GLU H 1.0 2.470 4.118 420 384 A 41 GLY H A 64 CYS HBy 1.0 3.771 6.285 421 385 A 44 CYS HBx A 45 SER H 1.0 2.643 4.405 422 386 A 46 SER H A 44 CYS H 1.0 3.855 6.425 423 387 A 5 ILE HG2% A 6 GLU H 1.0 2.696 4.494 424 388 A 67 SER HA A 68 SER H 1.0 2.765 4.609 425 389 A 65 VAL H A 58 CYS HA 1.0 2.792 4.652 426 390 A 20 SER H A 20 SER HA 1.0 2.686 4.476 427 391 A 57 GLY H A 64 CYS HA 1.0 3.284 5.472 428 392 A 63 VAL H A 59 SER HA 1.0 3.381 5.635 429 393 A 12 GLN HE22 A 12 GLN HE21 1.0 1.720 2.445 430 394 A 14 LEU H A 13 GLY H 1.0 2.455 4.093 431 395 A 62 GLY H A 44 CYS H 1.0 3.688 6.146 432 396 A 63 VAL H A 62 GLY HAy 1.0 2.551 4.251 433 397 A 42 THR H A 64 CYS HBy 1.0 2.817 4.695 434 398 A 46 SER H A 44 CYS HA 1.0 2.421 4.035 435 399 A 56 ASP H A 55 CYS H 1.0 3.397 5.661 436 400 A 63 VAL H A 58 CYS HA 1.0 3.213 5.355 437 401 A 63 VAL HGx% A 65 VAL H 1.0 3.534 5.890 438 401 A 63 VAL HGy% A 65 VAL H 1.0 3.534 5.890 439 402 A 44 CYS H A 44 CYS HBy 1.0 2.859 4.765 440 403 A 17 LEU H A 17 LEU HD1% 1.0 2.977 4.961 441 404 A 45 SER H A 44 CYS HBy 1.0 2.688 4.480 442 405 A 68 SER H A 68 SER HB3 1.0 3.232 5.386 443 406 A 49 GLN HA A 49 GLN HE21 1.0 3.458 5.764 444 407 A 33 GLY HAx A 33 GLY H 1.0 2.052 3.420 445 407 A 33 GLY HAy A 33 GLY H 1.0 2.052 3.420 446 408 A 8 SER H A 8 SER HBx 1.0 2.417 4.027 447 409 A 51 ARG H A 47 ASP HA 1.0 3.458 5.762 448 410 A 53 ARG H A 51 ARG HA 1.0 3.243 5.405 449 411 A 38 GLY HAy A 38 GLY H 1.0 2.530 4.216 450 412 A 58 CYS H A 57 GLY H 1.0 3.252 5.420 451 413 A 57 GLY H A 56 ASP HA 1.0 3.826 6.376 452 414 A 12 GLN HBx A 12 GLN H 1.0 2.274 3.790 453 415 A 28 ASP H A 27 ASP HA 1.0 1.866 3.110 454 416 A 16 SER H A 15 LYS H 1.0 2.371 3.951 455 417 A 44 CYS H A 63 VAL H 1.0 3.419 5.697 456 418 A 63 VAL HB A 63 VAL H 1.0 2.894 4.822 457 419 A 49 GLN H A 47 ASP HBy 1.0 3.744 6.240 458 420 A 42 THR H A 64 CYS HBx 1.0 2.997 4.995 459 421 A 23 SER H A 22 THR HG2% 1.0 3.108 5.180 460 422 A 56 ASP H A 56 ASP HA 1.0 2.801 4.667 461 423 A 44 CYS H A 43 ALA HB% 1.0 2.185 3.643 462 424 A 59 SER H A 61 SER H 1.0 3.816 6.360 463 425 A 12 GLN H A 12 GLN HGx 1.0 2.522 4.204 464 426 A 60 THR H A 60 THR HG2% 1.0 2.707 4.511 465 427 A 68 SER H A 67 SER HBy 1.0 3.185 5.309 466 428 A 41 GLY H A 42 THR H 1.0 2.606 4.344 467 429 A 57 GLY H A 65 VAL HA 1.0 3.087 5.145 468 430 A 38 GLY H A 36 CYS HA 1.0 2.461 4.103 469 431 A 25 GLU H A 23 SER HA 1.0 3.239 5.397 470 432 A 57 GLY H A 51 ARG HDy 1.0 3.646 6.078 471 433 A 57 GLY H A 67 SER H 1.0 3.100 5.166 472 434 A 28 ASP H A 28 ASP HBy 1.0 2.218 3.696 473 435 A 51 ARG H A 53 ARG H 1.0 3.497 5.827 474 436 A 63 VAL H A 63 VAL HA 1.0 2.527 4.211 475 437 A 44 CYS H A 63 VAL HA 1.0 2.358 3.930 476 438 A 49 GLN HE22 A 44 CYS HBy 1.0 3.984 6.640 477 439 A 60 THR HB A 61 SER H 1.0 3.099 5.165 478 440 A 63 VAL HGx% A 62 GLY H 1.0 2.939 4.899 479 440 A 63 VAL HGy% A 62 GLY H 1.0 2.939 4.899 480 441 A 12 GLN HE22 A 12 GLN HGx 1.0 2.878 4.796 481 442 A 52 ALA H A 51 ARG HGx 1.0 2.903 4.839 482 442 A 52 ALA H A 51 ARG HGy 1.0 2.903 4.839 483 443 A 60 THR H A 61 SER H 1.0 3.383 5.639 484 444 A 12 GLN H A 11 ILE HB 1.0 2.566 4.278 485 445 A 51 ARG H A 53 ARG H 1.0 3.443 5.737 486 446 A 49 GLN H A 47 ASP HBx 1.0 3.278 5.464 487 447 A 20 SER HA A 21 HIS H 1.0 3.671 6.117 488 448 A 63 VAL HGy% A 41 GLY H 1.0 3.571 5.953 489 449 A 25 GLU H A 25 GLU HA 1.0 2.406 4.010 490 450 A 64 CYS H A 42 THR H 1.0 2.949 4.915 491 451 A 55 CYS H A 53 ARG H 1.0 2.959 4.931 492 452 A 56 ASP H A 55 CYS HBx 1.0 2.585 4.309 493 453 A 45 SER H A 45 SER HA 1.0 2.663 4.439 494 454 A 65 VAL H A 65 VAL HA 1.0 2.716 4.528 495 455 A 44 CYS H A 45 SER H 1.0 3.301 5.503 496 456 A 65 VAL H A 64 CYS H 1.0 3.434 5.722 497 457 A 19 LYS H A 19 LYS HBx 1.0 2.515 4.193 498 458 A 55 CYS H A 53 ARG HDy 1.0 3.437 5.729 499 458 A 55 CYS H A 53 ARG HDx 1.0 3.437 5.729 500 459 A 7 ASP H A 7 ASP HBy 1.0 2.500 4.168 501 460 A 42 THR HA A 42 THR H 1.0 2.536 4.226 502 461 A 32 ARG H A 32 ARG HB3 1.0 2.761 4.601 503 462 A 48 ALA HB% A 50 CYS H 1.0 3.086 5.144 504 463 A 56 ASP H A 55 CYS HBx 1.0 2.457 4.095 505 464 A 41 GLY H A 42 THR H 1.0 2.966 4.944 506 465 A 25 GLU H A 25 GLU HG2 1.0 2.695 4.491 507 465 A 25 GLU H A 25 GLU HG3 1.0 2.695 4.491 508 466 A 55 CYS HBx A 65 VAL H 1.0 3.231 5.385 509 467 A 30 GLY H A 29 ASP HBy 1.0 2.933 4.889 510 467 A 30 GLY H A 29 ASP HBx 1.0 2.933 4.889 511 468 A 45 SER H A 45 SER HBx 1.0 2.934 4.890 512 469 A 65 VAL H A 57 GLY HAy 1.0 3.508 5.848 513 470 A 8 SER H A 8 SER HA 1.0 2.322 3.870 514 471 A 44 CYS H A 64 CYS H 1.0 3.162 5.270 515 472 A 17 LEU H A 16 SER HBx 1.0 2.644 4.406 516 472 A 17 LEU H A 16 SER HBy 1.0 2.644 4.406 517 473 A 43 ALA H A 64 CYS H 1.0 3.322 5.536 518 474 A 50 CYS HBx A 54 GLY H 1.0 4.190 6.984 519 475 A 52 ALA H A 50 CYS H 1.0 3.103 5.171 520 476 A 63 VAL H A 65 VAL HGx% 1.0 3.424 5.706 521 477 A 30 GLY HAx A 32 ARG H 1.0 2.749 4.583 522 478 A 38 GLY H A 37 GLU HBy 1.0 3.410 5.684 523 479 A 43 ALA H A 43 ALA HA 1.0 2.690 4.484 524 480 A 44 CYS H A 42 THR HA 1.0 3.504 5.840 525 481 A 66 LEU H A 65 VAL HB 1.0 2.380 3.966 526 482 A 65 VAL H A 64 CYS HBx 1.0 2.702 4.502 527 483 A 51 ARG H A 56 ASP HA 1.0 3.473 5.789 528 484 A 54 GLY H A 53 ARG H 1.0 2.273 3.789 529 485 A 65 VAL H A 64 CYS HBy 1.0 3.068 5.114 530 486 A 45 SER H A 43 ALA HB% 1.0 3.840 6.400 531 487 A 44 CYS HBy A 49 GLN H 1.0 3.669 6.115 532 488 A 64 CYS H A 63 VAL HA 1.0 2.165 3.609 533 489 A 49 GLN HGx A 49 GLN HE22 1.0 2.591 4.319 534 490 A 18 ARG H A 17 LEU HA 1.0 1.990 3.318 535 491 A 17 LEU H A 18 ARG HBx 1.0 3.494 5.824 536 492 A 47 ASP H A 44 CYS HA 1.0 4.041 6.735 537 493 A 52 ALA H A 53 ARG HA 1.0 3.480 5.800 538 494 A 33 GLY H A 32 ARG HB3 1.0 2.990 4.984 539 495 A 54 GLY H A 51 ARG HGx 1.0 4.078 6.796 540 495 A 54 GLY H A 51 ARG HGy 1.0 4.078 6.796 541 496 A 13 GLY H A 13 GLY HAy 1.0 1.917 3.195 542 496 A 13 GLY HAx A 13 GLY H 1.0 1.917 3.195 543 497 A 49 GLN H A 46 SER HBx 1.0 2.934 4.890 544 498 A 15 LYS H A 14 LEU HA 1.0 2.155 3.591 545 499 A 50 CYS HBx A 65 VAL H 1.0 3.268 5.446 546 500 A 22 THR H A 23 SER H 1.0 3.156 5.260 547 501 A 46 SER H A 45 SER HBy 1.0 3.082 5.138 548 502 A 64 CYS H A 58 CYS HA 1.0 3.527 5.879 549 503 A 63 VAL H A 64 CYS H 1.0 3.649 6.081 550 504 A 5 ILE HA A 6 GLU H 1.0 1.987 3.311 551 505 A 48 ALA H A 49 GLN H 1.0 2.752 4.588 552 506 A 8 SER H A 7 ASP HBx 1.0 2.886 4.810 553 507 A 49 GLN H A 46 SER HA 1.0 3.234 5.390 554 508 A 12 GLN H A 12 GLN HGy 1.0 2.567 4.277 555 509 A 30 GLY HAx A 32 ARG H 1.0 2.776 4.628 556 510 A 52 ALA H A 51 ARG HBx 1.0 2.647 4.411 557 511 A 51 ARG H A 50 CYS HA 1.0 2.993 4.987 558 512 A 58 CYS H A 64 CYS HA 1.0 3.556 5.926 559 513 A 49 GLN H A 52 ALA HB% 1.0 3.443 5.737 560 514 A 13 GLY H A 12 GLN HGx 1.0 3.279 5.465 561 515 A 35 ASP H A 35 ASP HBy 1.0 2.608 4.348 562 516 A 25 GLU H A 26 ASP H 1.0 2.319 3.865 563 517 A 41 GLY H A 41 GLY HAx 1.0 2.844 4.740 564 518 A 32 ARG H A 32 ARG HB3 1.0 2.636 4.394 565 519 A 35 ASP H A 35 ASP HA 1.0 2.757 4.595 566 520 A 6 GLU HG2 A 6 GLU H 1.0 2.811 4.685 567 520 A 6 GLU HG3 A 6 GLU H 1.0 2.811 4.685 568 521 A 49 GLN HA A 49 GLN H 1.0 2.245 3.741 569 522 A 61 SER H A 63 VAL H 1.0 3.117 5.195 570 523 A 46 SER H A 46 SER HA 1.0 2.492 4.152 571 524 A 64 CYS H A 64 CYS HBx 1.0 2.903 4.839 572 525 A 50 CYS H A 51 ARG H 1.0 2.257 3.761 573 526 A 37 GLU H A 37 GLU HBy 1.0 2.218 3.696 574 527 A 35 ASP HBx A 35 ASP H 1.0 2.678 4.464 575 528 A 49 GLN HE22 A 49 GLN HE21 1.0 1.756 2.926 576 529 A 59 SER H A 61 SER HA 1.0 3.359 5.599 577 530 A 20 SER H A 19 LYS HBx 1.0 3.026 5.044 578 531 A 16 SER H A 16 SER HA 1.0 2.492 4.152 579 532 A 63 VAL HB A 64 CYS H 1.0 2.557 4.263 580 533 A 18 ARG HGy A 20 SER H 1.0 3.670 6.118 581 533 A 18 ARG HGx A 20 SER H 1.0 3.670 6.118 582 534 A 30 GLY H A 30 GLY HAy 1.0 2.223 3.705 583 535 A 13 GLY H A 11 ILE HG2% 1.0 3.249 5.415 584 536 A 49 GLN H A 44 CYS HA 1.0 3.887 6.479 585 537 A 59 SER H A 58 CYS HA 1.0 2.061 3.435 586 538 A 23 SER H A 23 SER HBy 1.0 2.583 4.305 587 539 A 21 HIS HA A 24 LEU H 1.0 3.244 5.406 588 540 A 49 GLN HE22 A 44 CYS HA 1.0 3.383 5.639 589 541 A 57 GLY H A 51 ARG H 1.0 3.593 5.989 590 542 A 59 SER H A 43 ALA HA 1.0 3.701 6.169 591 543 A 7 ASP H A 7 ASP HA 1.0 2.475 4.125 592 544 A 47 ASP H A 58 CYS H 1.0 3.901 6.503 593 545 A 60 THR H A 62 GLY H 1.0 4.130 6.884 594 546 A 50 CYS H A 50 CYS HA 1.0 2.434 4.056 595 547 A 58 CYS H A 56 ASP HA 1.0 4.139 6.899 596 548 A 20 SER H A 19 LYS HBy 1.0 3.194 5.324 597 549 A 16 SER H A 15 LYS HA 1.0 2.197 3.663 598 550 A 63 VAL HGy% A 64 CYS H 1.0 2.761 4.603 599 550 A 63 VAL HGx% A 64 CYS H 1.0 2.761 4.603 600 551 A 16 SER H A 15 LYS H 1.0 2.579 4.299 601 552 A 16 SER H A 15 LYS HBy 1.0 2.782 4.636 602 553 A 65 VAL H A 65 VAL HGx% 1.0 2.832 4.720 603 554 A 23 SER H A 23 SER HA 1.0 2.696 4.494 604 555 A 59 SER H A 58 CYS H 1.0 3.328 5.546 605 556 A 23 SER HA A 24 LEU H 1.0 2.051 3.419 606 557 A 49 GLN HE22 A 45 SER H 1.0 3.408 5.680 607 558 A 58 CYS H A 58 CYS HA 1.0 2.733 4.555 608 559 A 57 GLY H A 66 LEU H 1.0 3.567 5.945 609 560 A 44 CYS H A 64 CYS H 1.0 3.489 5.815 610 561 A 60 THR H A 65 VAL HGx% 1.0 4.208 7.012 611 562 A 55 CYS H A 53 ARG H 1.0 2.964 4.940 612 563 A 18 ARG H A 67 SER HBy 1.0 3.373 5.621 613 563 A 18 ARG H A 16 SER HBy 1.0 3.373 5.621 614 564 A 22 THR H A 23 SER H 1.0 3.452 5.752 615 565 A 63 VAL HGx% A 43 ALA H 1.0 3.169 5.283 616 565 A 63 VAL HGy% A 43 ALA H 1.0 3.169 5.283 617 566 A 57 GLY H A 57 GLY HAx 1.0 2.418 4.030 618 566 A 57 GLY H A 57 GLY HAy 1.0 2.418 4.030 619 567 A 6 GLU H A 5 ILE HB 1.0 2.927 4.879 620 568 A 40 SER HB3 A 42 THR H 1.0 2.869 4.783 621 569 A 24 LEU HDx% A 24 LEU H 1.0 2.964 4.940 622 570 A 41 GLY H A 40 SER HB3 1.0 2.484 4.140 623 571 A 22 THR H A 21 HIS HBy 1.0 3.427 5.711 624 572 A 24 LEU H A 24 LEU HA 1.0 2.431 4.053 625 573 A 49 GLN H A 51 ARG HBy 1.0 3.806 6.344 626 574 A 50 CYS H A 51 ARG HBy 1.0 3.119 5.199 627 575 A 32 ARG H A 31 SER HA 1.0 2.035 3.393 628 576 A 53 ARG H A 53 ARG HA 1.0 2.519 4.199 629 577 A 55 CYS H A 57 GLY H 1.0 3.811 6.351 630 578 A 17 LEU H A 16 SER HA 1.0 2.050 3.418 631 579 A 50 CYS H A 45 SER H 1.0 4.402 7.336 632 580 A 52 ALA H A 52 ALA HA 1.0 2.235 3.725 633 581 A 24 LEU HB2 A 24 LEU H 1.0 2.056 3.428 634 581 A 24 LEU HB3 A 24 LEU H 1.0 2.056 3.428 635 582 A 18 ARG H A 18 ARG HBy 1.0 2.308 3.846 636 583 A 5 ILE H A 4 PHE HBx 1.0 3.273 5.455 637 584 A 45 SER H A 46 SER HA 1.0 3.307 5.511 638 585 A 18 ARG H A 18 ARG HD2 1.0 3.200 5.334 639 585 A 18 ARG H A 18 ARG HD3 1.0 3.200 5.334 640 586 A 53 ARG H A 51 ARG HGx 1.0 3.500 5.832 641 586 A 53 ARG H A 51 ARG HGy 1.0 3.500 5.832 642 587 A 44 CYS HBx A 58 CYS H 1.0 4.014 6.690 643 588 A 19 LYS H A 19 LYS HA 1.0 2.068 3.446 644 589 A 49 GLN HGx A 49 GLN HE22 1.0 2.625 4.375 645 590 A 57 GLY H A 55 CYS HBx 1.0 2.744 4.574 646 591 A 49 GLN HE21 A 49 GLN HGy 1.0 2.783 4.639 647 592 A 52 ALA H A 50 CYS HA 1.0 3.126 5.210 648 593 A 32 ARG HA A 33 GLY H 1.0 2.249 3.749 649 594 A 22 THR H A 22 THR HG2% 1.0 3.009 5.015 650 595 A 53 ARG H A 52 ALA HA 1.0 2.845 4.741 651 596 A 5 ILE H A 5 ILE HG1x 1.0 2.905 4.843 652 596 A 5 ILE H A 5 ILE HG2% 1.0 2.905 4.843 653 597 A 44 CYS HBx A 44 CYS H 1.0 3.032 5.054 654 598 A 56 ASP H A 54 GLY HAx 1.0 3.661 6.101 655 599 A 63 VAL HGx% A 41 GLY H 1.0 3.536 5.894 656 599 A 63 VAL HGy% A 41 GLY H 1.0 3.536 5.894 657 600 A 50 CYS H A 51 ARG HGy 1.0 3.274 5.458 658 601 A 22 THR H A 21 HIS HBy 1.0 3.427 5.711 659 602 A 50 CYS H A 57 GLY H 1.0 3.727 6.211 660 603 A 13 GLY H A 11 ILE HA 1.0 3.042 5.070 661 604 A 30 GLY HAx A 31 SER H 1.0 2.225 3.709 662 605 A 40 SER HB3 A 66 LEU H 1.0 3.364 5.606 663 606 A 18 ARG H A 17 LEU HBy 1.0 2.284 3.806 664 607 A 45 SER H A 43 ALA HA 1.0 3.443 5.739 665 608 A 5 ILE H A 6 GLU H 1.0 2.974 4.958 666 609 A 20 SER H A 19 LYS HG3 1.0 3.489 5.815 667 609 A 20 SER H A 19 LYS HG2 1.0 3.489 5.815 668 610 A 50 CYS H A 48 ALA H 1.0 3.113 5.187 669 611 A 20 SER H A 19 LYS HA 1.0 2.225 3.709 670 612 A 47 ASP H A 49 GLN HGx 1.0 4.091 6.819 671 613 A 69 LEU H A 68 SER H 1.0 3.767 6.277 672 614 A 30 GLY H A 31 SER HA 1.0 3.514 5.856 673 615 A 24 LEU HB3 A 26 ASP H 1.0 3.358 5.598 674 615 A 24 LEU HB2 A 26 ASP H 1.0 3.358 5.598 675 616 A 15 LYS HGx A 17 LEU H 1.0 3.296 5.494 676 617 A 50 CYS H A 52 ALA HB% 1.0 3.092 5.154 677 618 A 4 PHE HBy A 4 PHE H 1.0 2.785 4.643 678 619 A 61 SER H A 65 VAL HGx% 1.0 4.208 7.012 679 620 A 41 GLY H A 65 VAL HA 1.0 4.046 6.742 680 621 A 50 CYS H A 51 ARG HBx 1.0 3.407 5.677 681 622 A 62 GLY H A 61 SER H 1.0 2.377 3.963 682 623 A 58 CYS H A 50 CYS HBx 1.0 3.078 5.130 683 624 A 8 SER H A 7 ASP HBy 1.0 2.903 4.837 684 625 A 18 ARG H A 17 LEU HD1% 1.0 2.954 4.922 685 626 A 40 SER HB3 A 64 CYS H 1.0 3.804 6.340 686 627 A 56 ASP H A 55 CYS H 1.0 3.406 5.676 687 628 A 44 CYS HBx A 50 CYS H 1.0 3.260 5.434 688 629 A 49 GLN HE22 A 49 GLN HGy 1.0 2.626 4.376 689 630 A 25 GLU H A 25 GLU HBx 1.0 2.313 3.855 690 631 A 56 ASP H A 55 CYS HBy 1.0 2.694 4.490 691 632 A 16 SER H A 16 SER HBx 1.0 2.339 3.899 692 632 A 16 SER H A 16 SER HBy 1.0 2.339 3.899 693 633 A 64 CYS H A 64 CYS HBy 1.0 2.659 4.431 694 634 A 52 ALA H A 40 SER H 1.0 3.443 5.739 695 634 A 52 ALA H A 48 ALA H 1.0 3.443 5.739 696 635 A 60 THR H A 61 SER H 1.0 3.178 5.298 697 636 A 58 CYS HBx A 51 ARG H 1.0 3.375 5.625 698 637 A 11 ILE H A 11 ILE HG2% 1.0 2.408 4.014 699 638 A 48 ALA H A 46 SER HBy 1.0 2.755 4.593 700 639 A 59 SER H A 58 CYS H 1.0 3.415 5.693 701 640 A 8 SER H A 6 GLU HBx 1.0 3.519 5.865 702 641 A 64 CYS H A 41 GLY HAx 1.0 3.669 6.115 703 642 A 44 CYS H A 43 ALA HA 1.0 2.041 3.403 704 643 A 50 CYS H A 44 CYS HBy 1.0 3.122 5.204 705 644 A 25 GLU H A 24 LEU HA 1.0 2.120 3.532 706 645 A 44 CYS H A 64 CYS HBx 1.0 2.733 4.555 707 646 A 12 GLN H A 11 ILE H 1.0 2.263 3.771 708 647 A 44 CYS H A 43 ALA HB% 1.0 2.330 3.882 709 648 A 25 GLU HA A 24 LEU H 1.0 3.496 5.828 710 649 A 7 ASP H A 7 ASP HBy 1.0 2.404 4.008 711 650 A 50 CYS HBx A 51 ARG H 1.0 2.445 4.075 712 651 A 50 CYS HBx A 53 ARG H 1.0 3.583 5.973 713 652 A 61 SER H A 62 GLY HAy 1.0 3.196 5.326 714 653 A 48 ALA H A 48 ALA HA 1.0 2.432 4.052 715 654 A 52 ALA H A 52 ALA HB% 1.0 1.906 3.178 716 655 A 8 SER H A 9 GLU H 1.0 2.488 4.146 717 656 A 52 ALA H A 50 CYS HBx 1.0 3.332 5.552 718 657 A 66 LEU H A 65 VAL H 1.0 3.163 5.271 719 658 A 50 CYS H A 49 GLN HGy 1.0 2.467 4.111 720 659 A 50 CYS H A 50 CYS HBy 1.0 2.951 4.919 721 660 A 25 GLU H A 24 LEU HDx% 1.0 2.987 4.979 722 661 A 57 GLY H A 55 CYS HBy 1.0 2.869 4.781 723 662 A 4 PHE H A 4 PHE HA 1.0 3.910 6.518 724 663 A 23 SER HBy A 24 LEU H 1.0 2.608 4.346 725 664 A 56 ASP H A 53 ARG HA 1.0 3.787 6.311 726 665 A 51 ARG H A 49 GLN HGy 1.0 3.583 5.973 727 666 A 48 ALA H A 47 ASP HBx 1.0 2.513 4.189 728 667 A 59 SER H A 61 SER H 1.0 3.868 6.446 729 668 A 56 ASP H A 56 ASP HBy 1.0 2.497 4.161 730 669 A 52 ALA H A 49 GLN HA 1.0 2.831 4.719 731 670 A 46 SER H A 58 CYS HBx 1.0 3.013 5.021 732 671 A 49 GLN HA A 53 ARG H 1.0 3.883 6.473 733 672 A 11 ILE HA A 11 ILE H 1.0 2.311 3.853 734 673 A 50 CYS H A 50 CYS HBx 1.0 2.105 3.509 735 674 A 57 GLY H A 56 ASP HBx 1.0 2.648 4.414 736 675 A 27 ASP HB3 A 28 ASP H 1.0 2.149 3.583 737 675 A 27 ASP HB2 A 28 ASP H 1.0 2.149 3.583 738 676 A 63 VAL HB A 44 CYS H 1.0 3.247 5.411 739 677 A 47 ASP H A 45 SER HBx 1.0 3.981 6.635 740 678 A 14 LEU H A 14 LEU HA 1.0 2.275 3.791 741 679 A 47 ASP H A 48 ALA H 1.0 3.076 5.126 742 680 A 48 ALA HB% A 51 ARG H 1.0 3.188 5.314 743 681 A 46 SER H A 49 GLN H 1.0 2.966 4.942 744 682 A 12 GLN H A 12 GLN HA 1.0 2.199 3.665 745 683 A 44 CYS HBx A 44 CYS H 1.0 3.120 5.200 746 684 A 48 ALA HB% A 48 ALA H 1.0 2.184 3.640 747 685 A 56 ASP H A 57 GLY H 1.0 2.525 4.209 748 686 A 14 LEU H A 11 ILE HG2% 1.0 2.740 4.566 749 687 A 46 SER H A 47 ASP H 1.0 3.415 5.691 750 688 A 55 CYS HA A 55 CYS H 1.0 2.699 4.497 751 689 A 50 CYS H A 44 CYS HA 1.0 3.672 6.120 752 690 A 29 ASP H A 28 ASP HA 1.0 1.953 3.255 753 691 A 12 GLN H A 12 GLN HGy 1.0 2.567 4.277 754 692 A 47 ASP H A 58 CYS HBy 1.0 3.514 5.856 755 693 A 11 ILE H A 9 GLU HA 1.0 2.965 4.941 756 694 A 51 ARG H A 51 ARG HA 1.0 2.427 4.045 757 695 A 48 ALA H A 51 ARG HBy 1.0 4.129 6.881 758 696 A 66 LEU H A 65 VAL HA 1.0 2.065 3.441 759 697 A 64 CYS H A 43 ALA HA 1.0 3.214 5.356 760 698 A 41 GLY HAy A 42 THR H 1.0 2.973 4.955 761 699 A 43 ALA H A 43 ALA HA 1.0 2.553 4.255 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 49 GLN H A 46 SER O 1.0 1.73 2.7 2 2 A 50 CYS H A 47 ASP O 1.0 1.73 2.7 3 3 A 51 ARG H A 47 ASP O 1.0 1.73 2.7 4 4 A 52 ALA H A 48 ALA O 1.0 1.73 2.7 5 5 A 59 SER H A 63 VAL O 1.0 1.73 2.7 6 6 A 64 CYS H A 42 THR O 1.0 1.73 2.7 7 7 A 65 VAL H A 57 GLY O 1.0 1.73 2.7 8 8 A 57 GLY H A 65 VAL O 1.0 1.73 2.7 9 9 A 61 SER H A 59 SER O 1.0 1.73 2.7 10 10 A 44 CYS H A 62 GLY O 1.0 1.73 2.7 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 6 GLU C A 7 ASP N A 7 ASP CA A 7 ASP C 1.0 -120.0 -32.64 PHI 2 2 A 7 ASP N A 7 ASP CA A 7 ASP C A 8 SER N 1.0 -70.0 31.50 PSI 3 3 A 7 ASP C A 8 SER N A 8 SER CA A 8 SER C 1.0 -90.0 -36.30 PHI 4 4 A 8 SER N A 8 SER CA A 8 SER C A 9 GLU N 1.0 -70.0 -4.06 PSI 5 5 A 8 SER C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -90.0 -38.62 PHI 6 6 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 ASP N 1.0 -70.0 8.06 PSI 7 7 A 10 ASP C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -100.0 -47.60 PHI 8 8 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 GLN N 1.0 -70.0 2.18 PSI 9 9 A 11 ILE C A 12 GLN N A 12 GLN CA A 12 GLN C 1.0 -100.0 -33.52 PHI 10 10 A 12 GLN N A 12 GLN CA A 12 GLN C A 13 GLY N 1.0 -60.0 14.46 PSI 11 11 A 14 LEU C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -130.0 -32.16 PHI 12 12 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 SER N 1.0 -60.0 29.60 PSI 13 13 A 15 LYS C A 16 SER N A 16 SER CA A 16 SER C 1.0 -130.0 -32.18 PHI 14 14 A 16 SER N A 16 SER CA A 16 SER C A 17 LEU N 1.0 -60.0 31.20 PSI 15 15 A 16 SER C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -130.0 -76.70 PHI 16 16 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 ARG N 1.0 -40.0 64.58 PSI 17 17 A 20 SER C A 21 HIS N A 21 HIS CA A 21 HIS C 1.0 -110.0 -43.94 PHI 18 18 A 21 HIS N A 21 HIS CA A 21 HIS C A 22 THR N 1.0 -70.0 5.16 PSI 19 19 A 21 HIS C A 22 THR N A 22 THR CA A 22 THR C 1.0 -100.0 -31.76 PHI 20 20 A 22 THR N A 22 THR CA A 22 THR C A 23 SER N 1.0 -60.0 11.54 PSI 21 21 A 26 ASP C A 27 ASP N A 27 ASP CA A 27 ASP C 1.0 -90.0 -26.24 PHI 22 22 A 27 ASP N A 27 ASP CA A 27 ASP C A 28 ASP N 1.0 -70.0 0.44 PSI 23 23 A 27 ASP C A 28 ASP N A 28 ASP CA A 28 ASP C 1.0 -90.0 -21.76 PHI 24 24 A 28 ASP N A 28 ASP CA A 28 ASP C A 29 ASP N 1.0 -70.0 -20.88 PSI 25 25 A 29 ASP C A 30 GLY N A 30 GLY CA A 30 GLY C 1.0 -90.0 -39.32 PHI 26 26 A 30 GLY N A 30 GLY CA A 30 GLY C A 31 SER N 1.0 -70.0 3.48 PSI 27 27 A 30 GLY C A 31 SER N A 31 SER CA A 31 SER C 1.0 -110.0 -33.58 PHI 28 28 A 31 SER N A 31 SER CA A 31 SER C A 32 ARG N 1.0 -60.0 23.04 PSI 29 29 A 31 SER C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 -170.0 20.26 PHI 30 30 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 GLY N 1.0 100.0 176.86 PSI 31 31 A 35 ASP C A 36 CYS N A 36 CYS CA A 36 CYS C 1.0 -180.0 -9.18 PHI 32 32 A 36 CYS N A 36 CYS CA A 36 CYS C A 37 GLU N 1.0 90.0 195.20 PSI 33 33 A 41 GLY C A 42 THR N A 42 THR CA A 42 THR C 1.0 -180.0 -72.04 PHI 34 34 A 42 THR N A 42 THR CA A 42 THR C A 43 ALA N 1.0 110.0 194.76 PSI 35 35 A 42 THR C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -160.0 -30.72 PHI 36 36 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 CYS N 1.0 100.0 154.58 PSI 37 37 A 43 ALA C A 44 CYS N A 44 CYS CA A 44 CYS C 1.0 -160.0 -109.94 PHI 38 38 A 44 CYS N A 44 CYS CA A 44 CYS C A 45 SER N 1.0 130.0 191.82 PSI 39 39 A 44 CYS C A 45 SER N A 45 SER CA A 45 SER C 1.0 -180.0 -86.82 PHI 40 40 A 45 SER C A 46 SER N A 46 SER CA A 46 SER C 1.0 -110.0 -59.98 PHI 41 41 A 46 SER N A 46 SER CA A 46 SER C A 47 ASP N 1.0 150.0 180.00 PSI 42 42 A 46 SER C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -80.0 -30.94 PHI 43 43 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 ALA N 1.0 -70.0 -16.80 PSI 44 44 A 47 ASP C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -80.0 -46.36 PHI 45 45 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 GLN N 1.0 -70.0 -19.86 PSI 46 46 A 48 ALA C A 49 GLN N A 49 GLN CA A 49 GLN C 1.0 -90.0 -40.00 PHI 47 47 A 49 GLN N A 49 GLN CA A 49 GLN C A 50 CYS N 1.0 -70.0 -18.74 PSI 48 48 A 49 GLN C A 50 CYS N A 50 CYS CA A 50 CYS C 1.0 -90.0 -54.38 PHI 49 49 A 50 CYS N A 50 CYS CA A 50 CYS C A 51 ARG N 1.0 -70.0 -1.16 PSI 50 50 A 50 CYS C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -90.0 -36.14 PHI 51 51 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 ALA N 1.0 -70.0 -7.06 PSI 52 52 A 51 ARG C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -80.0 -49.94 PHI 53 53 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 ARG N 1.0 -50.0 2.96 PSI 54 54 A 52 ALA C A 53 ARG N A 53 ARG CA A 53 ARG C 1.0 -120.0 -54.70 PHI 55 55 A 53 ARG N A 53 ARG CA A 53 ARG C A 54 GLY N 1.0 -30.0 29.34 PSI 56 56 A 57 GLY C A 58 CYS N A 58 CYS CA A 58 CYS C 1.0 -140.0 -47.50 PHI 57 57 A 58 CYS N A 58 CYS CA A 58 CYS C A 59 SER N 1.0 90.0 165.74 PSI 58 58 A 58 CYS C A 59 SER N A 59 SER CA A 59 SER C 1.0 -110.0 -35.08 PHI 59 59 A 59 SER N A 59 SER CA A 59 SER C A 60 THR N 1.0 120.0 185.62 PSI 60 60 A 59 SER C A 60 THR N A 60 THR CA A 60 THR C 1.0 -90.0 -40.00 PHI 61 61 A 60 THR N A 60 THR CA A 60 THR C A 61 SER N 1.0 -40.0 4.50 PSI 62 62 A 60 THR C A 61 SER N A 61 SER CA A 61 SER C 1.0 -120.0 -53.88 PHI 63 63 A 61 SER N A 61 SER CA A 61 SER C A 62 GLY N 1.0 -30.0 32.16 PSI 64 64 A 61 SER C A 62 GLY N A 62 GLY CA A 62 GLY C 1.0 40.0 109.32 PHI 65 65 A 62 GLY N A 62 GLY CA A 62 GLY C A 63 VAL N 1.0 -20.0 60.30 PSI 66 66 A 62 GLY C A 63 VAL N A 63 VAL CA A 63 VAL C 1.0 -160.0 -110.48 PHI 67 67 A 63 VAL N A 63 VAL CA A 63 VAL C A 64 CYS N 1.0 130.0 182.36 PSI 68 68 A 63 VAL C A 64 CYS N A 64 CYS CA A 64 CYS C 1.0 -160.0 -106.70 PHI 69 69 A 64 CYS N A 64 CYS CA A 64 CYS C A 65 VAL N 1.0 110.0 179.78 PSI 70 70 A 64 CYS C A 65 VAL N A 65 VAL CA A 65 VAL C 1.0 -160.0 -110.54 PHI 71 71 A 65 VAL N A 65 VAL CA A 65 VAL C A 66 LEU N 1.0 120.0 188.66 PSI 72 72 A 65 VAL C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -160.0 -73.46 PHI 73 73 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 SER N 1.0 90.0 160.42 PSI 74 74 A 66 LEU C A 67 SER N A 67 SER CA A 67 SER C 1.0 -100.0 -45.62 PHI 75 75 A 67 SER N A 67 SER CA A 67 SER C A 68 SER N 1.0 110.0 180.14 PSI stop_ save_