data_nef_c25605_2n2q save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 25609 PDB 2N2Q 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 54 CYS SG 1 17 CYS SG 1 39 CYS SG 1 23 CYS SG 1 48 CYS SG 1 27 CYS SG 1 50 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 ASP start . . 2 A 2 GLY middle . false 3 A 3 VAL middle . . 4 A 4 LYS middle . . 5 A 5 LEU middle . . 6 A 6 CYS middle -HG . 7 A 7 ASP middle . . 8 A 8 VAL middle . . 9 A 9 PRO middle . false 10 A 10 SER middle . . 11 A 11 GLY middle . false 12 A 12 THR middle . . 13 A 13 TRP middle . . 14 A 14 SER middle . . 15 A 15 GLY middle . false 16 A 16 HIS middle . . 17 A 17 CYS middle -HG . 18 A 18 GLY middle . false 19 A 19 SER middle . . 20 A 20 SER middle . . 21 A 21 SER middle . . 22 A 22 LYS middle . . 23 A 23 CYS middle -HG . 24 A 24 SER middle . . 25 A 25 GLN middle . . 26 A 26 GLN middle . . 27 A 27 CYS middle -HG . 28 A 28 LYS middle . . 29 A 29 ASP middle . . 30 A 30 ARG middle . . 31 A 31 GLU middle . . 32 A 32 HIS middle . . 33 A 33 PHE middle . . 34 A 34 ALA middle . . 35 A 35 TYR middle . . 36 A 36 GLY middle . false 37 A 37 GLY middle . false 38 A 38 ALA middle . . 39 A 39 CYS middle -HG . 40 A 40 HIS middle . . 41 A 41 TYR middle . . 42 A 42 GLN middle . . 43 A 43 PHE middle . . 44 A 44 PRO middle . true 45 A 45 SER middle . . 46 A 46 VAL middle . . 47 A 47 LYS middle . . 48 A 48 CYS middle -HG . 49 A 49 PHE middle . . 50 A 50 CYS middle -HG . 51 A 51 LYS middle . . 52 A 52 ARG middle . . 53 A 53 GLN middle . . 54 A 54 CYS end -HG . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_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 2 GLY H H 1 8.644 0.002 A 2 GLY HAx H 1 4.007 0.011 A 2 GLY HAy H 1 4.026 0.008 A 2 GLY CA C 13 44.988 0.073 A 2 GLY N N 15 109.098 0.010 A 3 VAL H H 1 8.031 0.002 A 3 VAL HA H 1 4.048 0.004 A 3 VAL HB H 1 1.909 0.010 A 3 VAL HG1% H 1 0.825 0.008 A 3 VAL HG2% H 1 0.738 0.004 A 3 VAL CA C 13 61.915 0.050 A 3 VAL CG1 C 13 20.959 0.050 A 3 VAL CG2 C 13 20.623 0.050 A 3 VAL N N 15 119.869 0.010 A 4 LYS H H 1 8.548 0.003 A 4 LYS HA H 1 4.273 0.002 A 4 LYS HB2 H 1 1.795 0.003 A 4 LYS HB3 H 1 1.795 0.003 A 4 LYS HD2 H 1 1.654 0.003 A 4 LYS HD3 H 1 1.654 0.003 A 4 LYS HEx H 1 2.957 0.006 A 4 LYS HEy H 1 2.958 0.005 A 4 LYS HGx H 1 1.351 0.004 A 4 LYS HGy H 1 1.357 0.010 A 4 LYS HZ1 H 1 7.487 0.001 A 4 LYS HZ2 H 1 7.487 0.001 A 4 LYS HZ3 H 1 7.487 0.001 A 4 LYS CA C 13 56.197 0.050 A 4 LYS CB C 13 30.638 0.050 A 4 LYS CD C 13 29.065 0.050 A 4 LYS CE C 13 41.972 0.050 A 4 LYS CG C 13 25.084 0.050 A 5 LEU H H 1 8.198 0.005 A 5 LEU HA H 1 4.983 0.008 A 5 LEU HB2 H 1 1.575 0.002 A 5 LEU HB3 H 1 0.898 0.001 A 5 LEU HD1% H 1 0.583 0.003 A 5 LEU HD2% H 1 0.000 0.003 A 5 LEU HG H 1 1.289 0.006 A 5 LEU CA C 13 53.265 0.050 A 5 LEU CB C 13 44.504 0.004 A 5 LEU CD1 C 13 25.475 0.050 A 5 LEU CD2 C 13 22.415 0.050 A 5 LEU CG C 13 26.249 0.050 A 5 LEU N N 15 123.800 0.010 A 6 CYS H H 1 9.409 0.001 A 6 CYS HA H 1 4.907 0.004 A 6 CYS HB2 H 1 2.747 0.004 A 6 CYS HB3 H 1 2.833 0.002 A 6 CYS CA C 13 58.402 0.050 A 6 CYS N N 15 121.818 0.010 A 7 ASP H H 1 8.504 0.003 A 7 ASP HA H 1 5.290 0.005 A 7 ASP HB2 H 1 2.400 0.012 A 7 ASP HB3 H 1 2.188 0.005 A 7 ASP CA C 13 54.035 0.050 A 7 ASP CB C 13 42.047 0.010 A 7 ASP N N 15 128.015 0.010 A 8 VAL H H 1 9.341 0.002 A 8 VAL HA H 1 4.777 0.011 A 8 VAL HB H 1 1.877 0.005 A 8 VAL HG1% H 1 0.820 0.004 A 8 VAL HG2% H 1 0.720 0.009 A 8 VAL CB C 13 30.752 0.050 A 8 VAL CG1 C 13 20.396 0.050 A 8 VAL CG2 C 13 19.868 0.050 A 8 VAL N N 15 121.916 0.010 A 9 PRO HA H 1 3.739 0.007 A 9 PRO HBy H 1 1.946 0.002 A 9 PRO HBx H 1 1.744 0.006 A 9 PRO HDx H 1 3.725 0.006 A 9 PRO HDy H 1 3.866 0.005 A 9 PRO HGx H 1 1.894 0.005 A 9 PRO HGy H 1 2.117 0.001 A 9 PRO CA C 13 63.759 0.050 A 9 PRO CB C 13 31.589 0.065 A 9 PRO CD C 13 50.651 0.013 A 9 PRO CG C 13 27.912 0.021 A 10 SER H H 1 7.948 0.002 A 10 SER HA H 1 4.528 0.004 A 10 SER HBx H 1 3.526 0.002 A 10 SER HBy H 1 3.926 0.001 A 10 SER CA C 13 58.298 0.050 A 10 SER CB C 13 63.746 0.050 A 10 SER N N 15 116.537 0.010 A 11 GLY H H 1 10.294 0.003 A 11 GLY HAx H 1 3.868 0.001 A 11 GLY HAy H 1 4.290 0.003 A 11 GLY CA C 13 45.168 0.005 A 12 THR H H 1 8.184 0.001 A 12 THR HA H 1 4.490 0.006 A 12 THR HB H 1 4.119 0.005 A 12 THR HG2% H 1 1.069 0.002 A 12 THR CA C 13 62.040 0.050 A 12 THR CB C 13 69.828 0.050 A 12 THR CG2 C 13 21.623 0.050 A 12 THR N N 15 119.855 0.010 A 13 TRP H H 1 8.069 0.003 A 13 TRP HA H 1 4.168 0.004 A 13 TRP HB2 H 1 3.165 0.004 A 13 TRP HB3 H 1 3.082 0.005 A 13 TRP HD1 H 1 7.049 0.004 A 13 TRP HE1 H 1 8.749 0.001 A 13 TRP HE3 H 1 7.387 0.005 A 13 TRP HH2 H 1 7.169 0.002 A 13 TRP HZ2 H 1 7.768 0.009 A 13 TRP HZ3 H 1 6.852 0.004 A 13 TRP CA C 13 60.197 0.050 A 13 TRP CB C 13 28.530 0.065 A 13 TRP CD1 C 13 128.435 0.050 A 13 TRP CE3 C 13 120.452 0.050 A 13 TRP CH2 C 13 123.989 0.050 A 13 TRP CZ2 C 13 114.414 0.050 A 13 TRP CZ3 C 13 121.173 0.050 A 13 TRP N N 15 125.473 0.010 A 14 SER H H 1 7.441 0.004 A 14 SER HA H 1 4.575 0.003 A 14 SER HBx H 1 3.548 0.008 A 14 SER HBy H 1 3.569 0.011 A 14 SER CB C 13 64.433 0.050 A 14 SER N N 15 122.343 0.010 A 15 GLY H H 1 8.331 0.005 A 15 GLY HAx H 1 3.879 0.005 A 15 GLY HAy H 1 4.068 0.003 A 15 GLY CA C 13 44.122 0.056 A 15 GLY N N 15 110.941 0.010 A 16 HIS H H 1 8.824 0.003 A 16 HIS HA H 1 4.527 0.004 A 16 HIS HBx H 1 3.228 0.002 A 16 HIS HBy H 1 3.325 0.003 A 16 HIS HD2 H 1 7.327 0.007 A 16 HIS HE1 H 1 8.665 0.001 A 16 HIS CD2 C 13 119.923 0.050 A 16 HIS CE1 C 13 136.655 0.050 A 16 HIS N N 15 118.837 0.010 A 17 CYS H H 1 8.287 0.006 A 17 CYS HA H 1 4.736 0.006 A 17 CYS HB2 H 1 1.869 0.005 A 17 CYS HB3 H 1 2.906 0.006 A 17 CYS CA C 13 55.028 0.050 A 17 CYS N N 15 128.452 0.010 A 18 GLY H H 1 8.502 0.005 A 18 GLY HAx H 1 3.846 0.003 A 18 GLY HAy H 1 4.261 0.003 A 18 GLY CA C 13 45.098 0.064 A 18 GLY N N 15 114.186 0.010 A 19 SER H H 1 7.228 0.005 A 19 SER HA H 1 4.830 0.010 A 19 SER HB2 H 1 3.776 0.004 A 19 SER HB3 H 1 4.041 0.004 A 19 SER CB C 13 63.432 0.100 A 19 SER N N 15 112.984 0.010 A 20 SER H H 1 9.478 0.001 A 20 SER HA H 1 4.207 0.006 A 20 SER HB2 H 1 4.046 0.006 A 20 SER HB3 H 1 4.046 0.006 A 20 SER CA C 13 59.683 0.050 A 20 SER CB C 13 62.922 0.050 A 20 SER N N 15 129.026 0.010 A 21 SER H H 1 8.524 0.003 A 21 SER HA H 1 4.273 0.007 A 21 SER HB2 H 1 3.873 0.007 A 21 SER HB3 H 1 3.873 0.007 A 21 SER CA C 13 59.245 0.050 A 21 SER CB C 13 63.806 0.050 A 22 LYS H H 1 7.911 0.002 A 22 LYS HA H 1 4.256 0.008 A 22 LYS HBx H 1 2.077 0.003 A 22 LYS HBy H 1 2.193 0.002 A 22 LYS HDx H 1 1.843 0.003 A 22 LYS HDy H 1 1.846 0.003 A 22 LYS HE2 H 1 3.038 0.003 A 22 LYS HE3 H 1 3.038 0.003 A 22 LYS HGx H 1 1.617 0.003 A 22 LYS HGy H 1 1.719 0.003 A 22 LYS HZ1 H 1 7.597 0.005 A 22 LYS HZ2 H 1 7.597 0.005 A 22 LYS HZ3 H 1 7.597 0.005 A 22 LYS CA C 13 56.886 0.050 A 22 LYS N N 15 124.019 0.010 A 23 CYS H H 1 7.600 0.004 A 23 CYS HA H 1 4.234 0.011 A 23 CYS HB2 H 1 2.324 0.003 A 23 CYS HB3 H 1 2.324 0.003 A 23 CYS CA C 13 61.269 0.050 A 23 CYS N N 15 119.457 0.010 A 24 SER H H 1 8.528 0.003 A 24 SER HA H 1 4.284 0.007 A 24 SER HBx H 1 3.677 0.003 A 24 SER HBy H 1 4.152 0.005 A 25 GLN H H 1 8.063 0.005 A 25 GLN HA H 1 3.995 0.002 A 25 GLN HB2 H 1 2.255 0.006 A 25 GLN HB3 H 1 2.255 0.006 A 25 GLN HE2x H 1 6.906 0.002 A 25 GLN HE2y H 1 7.676 0.005 A 25 GLN HGx H 1 2.452 0.003 A 25 GLN HGy H 1 2.573 0.005 A 25 GLN CA C 13 55.020 0.050 A 25 GLN CB C 13 28.399 0.050 A 25 GLN CG C 13 33.484 0.008 A 25 GLN N N 15 117.248 0.010 A 25 GLN NE2 N 15 112.827 0.010 A 26 GLN H H 1 8.248 0.003 A 26 GLN HA H 1 4.176 0.002 A 26 GLN HB2 H 1 2.538 0.006 A 26 GLN HB3 H 1 2.402 0.010 A 26 GLN HE21 H 1 7.870 0.002 A 26 GLN HE22 H 1 6.646 0.003 A 26 GLN HGx H 1 2.452 0.002 A 26 GLN HGy H 1 2.531 0.007 A 26 GLN CB C 13 27.792 0.003 A 27 CYS H H 1 8.797 0.001 A 27 CYS HA H 1 4.335 0.004 A 27 CYS HBx H 1 3.125 0.002 A 27 CYS HBy H 1 3.131 0.009 A 27 CYS N N 15 119.429 0.010 A 28 LYS H H 1 8.329 0.010 A 28 LYS HA H 1 4.355 0.003 A 28 LYS HB2 H 1 1.819 0.003 A 28 LYS HB3 H 1 1.819 0.003 A 28 LYS HD2 H 1 1.631 0.002 A 28 LYS HD3 H 1 1.631 0.002 A 28 LYS HE2 H 1 2.919 0.003 A 28 LYS HE3 H 1 2.919 0.003 A 28 LYS HG2 H 1 1.481 0.004 A 28 LYS HG3 H 1 1.481 0.004 A 28 LYS HZ1 H 1 7.543 0.005 A 28 LYS HZ2 H 1 7.543 0.005 A 28 LYS HZ3 H 1 7.543 0.005 A 28 LYS N N 15 115.684 0.010 A 29 ASP H H 1 9.021 0.003 A 29 ASP HA H 1 4.492 0.004 A 29 ASP HBx H 1 2.837 0.002 A 29 ASP HBy H 1 2.901 0.008 A 29 ASP N N 15 117.769 0.010 A 30 ARG H H 1 8.340 0.003 A 30 ARG HA H 1 4.490 0.004 A 30 ARG HB2 H 1 2.035 0.008 A 30 ARG HB3 H 1 2.035 0.008 A 30 ARG HD2 H 1 3.193 0.002 A 30 ARG HD3 H 1 3.193 0.002 A 30 ARG HE H 1 7.364 0.001 A 30 ARG HGx H 1 1.666 0.008 A 30 ARG HGy H 1 1.765 0.003 A 31 GLU H H 1 6.895 0.004 A 31 GLU HA H 1 4.389 0.003 A 31 GLU HBx H 1 2.232 0.002 A 31 GLU HBy H 1 2.285 0.005 A 31 GLU HGx H 1 2.675 0.005 A 31 GLU HGy H 1 2.753 0.006 A 31 GLU N N 15 114.001 0.010 A 32 HIS H H 1 6.841 0.002 A 32 HIS HA H 1 4.394 0.003 A 32 HIS HB2 H 1 3.353 0.004 A 32 HIS HB3 H 1 3.353 0.004 A 32 HIS HD2 H 1 7.116 0.006 A 32 HIS HE1 H 1 8.571 0.009 A 32 HIS CB C 13 28.445 0.050 A 32 HIS CD2 C 13 119.572 0.050 A 32 HIS CE1 C 13 135.943 0.050 A 32 HIS N N 15 110.470 0.010 A 33 PHE H H 1 8.607 0.002 A 33 PHE HA H 1 4.883 0.007 A 33 PHE HB2 H 1 2.690 0.004 A 33 PHE HB3 H 1 3.536 0.006 A 33 PHE HDx H 1 7.447 0.008 A 33 PHE HDy H 1 7.447 0.008 A 33 PHE HEx H 1 7.375 0.009 A 33 PHE HEy H 1 7.375 0.009 A 33 PHE CDx C 13 131.849 0.050 A 33 PHE CDy C 13 131.849 0.050 A 33 PHE CEx C 13 130.264 0.050 A 33 PHE CEy C 13 130.264 0.050 A 33 PHE N N 15 119.898 0.010 A 34 ALA H H 1 8.567 0.002 A 34 ALA HA H 1 3.996 0.001 A 34 ALA HB% H 1 1.263 0.003 A 34 ALA CA C 13 58.732 0.050 A 34 ALA CB C 13 18.729 0.067 A 35 TYR H H 1 9.080 0.002 A 35 TYR HA H 1 4.336 0.011 A 35 TYR HB2 H 1 3.135 0.010 A 35 TYR HB3 H 1 2.726 0.007 A 35 TYR HDx H 1 7.296 0.006 A 35 TYR HDy H 1 7.296 0.006 A 35 TYR HEx H 1 6.829 0.003 A 35 TYR HEy H 1 6.829 0.003 A 35 TYR CDx C 13 133.351 0.050 A 35 TYR CDy C 13 133.351 0.050 A 35 TYR CEx C 13 117.810 0.050 A 35 TYR CEy C 13 117.810 0.050 A 35 TYR N N 15 113.001 0.010 A 36 GLY H H 1 8.232 0.004 A 36 GLY HAx H 1 3.598 0.005 A 36 GLY HAy H 1 4.178 0.002 A 36 GLY CA C 13 45.137 0.050 A 36 GLY N N 15 108.566 0.010 A 37 GLY H H 1 7.890 0.001 A 37 GLY HAx H 1 4.383 0.009 A 37 GLY HAy H 1 4.571 0.005 A 37 GLY CA C 13 46.598 0.022 A 38 ALA H H 1 9.057 0.002 A 38 ALA HA H 1 4.298 0.006 A 38 ALA HB% H 1 1.389 0.003 A 38 ALA CA C 13 53.232 0.050 A 38 ALA CB C 13 21.884 0.050 A 38 ALA N N 15 125.415 0.010 A 39 CYS H H 1 8.376 0.002 A 39 CYS HA H 1 5.452 0.005 A 39 CYS HB2 H 1 2.662 0.001 A 39 CYS HB3 H 1 2.513 0.005 A 39 CYS CA C 13 52.231 0.050 A 39 CYS N N 15 119.246 0.010 A 40 HIS H H 1 9.476 0.002 A 40 HIS HA H 1 4.865 0.005 A 40 HIS HBx H 1 3.036 0.006 A 40 HIS HBy H 1 3.039 0.011 A 40 HIS HD2 H 1 6.722 0.001 A 40 HIS HE1 H 1 8.314 0.005 A 40 HIS CB C 13 31.749 0.050 A 40 HIS N N 15 119.364 0.010 A 41 TYR H H 1 9.046 0.003 A 41 TYR HA H 1 4.531 0.002 A 41 TYR HB2 H 1 3.022 0.008 A 41 TYR HB3 H 1 2.842 0.012 A 41 TYR HDx H 1 6.980 0.008 A 41 TYR HDy H 1 6.980 0.008 A 41 TYR HEx H 1 6.782 0.005 A 41 TYR HEy H 1 6.782 0.005 A 41 TYR CDx C 13 133.315 0.050 A 41 TYR CDy C 13 133.315 0.050 A 41 TYR CEx C 13 117.853 0.050 A 41 TYR CEy C 13 117.853 0.050 A 42 GLN H H 1 8.169 0.003 A 42 GLN HA H 1 4.085 0.003 A 42 GLN HBx H 1 1.946 0.003 A 42 GLN HBy H 1 1.947 0.004 A 42 GLN HE2x H 1 6.972 0.003 A 42 GLN HE2y H 1 7.750 0.002 A 42 GLN HGx H 1 2.195 0.006 A 42 GLN HGy H 1 2.337 0.004 A 42 GLN CG C 13 34.049 0.006 A 42 GLN N N 15 124.759 0.010 A 42 GLN NE2 N 15 112.488 0.012 A 43 PHE H H 1 8.800 0.001 A 43 PHE HA H 1 4.096 0.003 A 43 PHE HBx H 1 2.891 0.005 A 43 PHE HBy H 1 3.257 0.004 A 43 PHE HDx H 1 7.381 0.003 A 43 PHE HDy H 1 7.381 0.003 A 44 PRO HA H 1 3.948 0.003 A 44 PRO HBy H 1 1.982 0.007 A 44 PRO HBx H 1 0.673 0.009 A 44 PRO HDx H 1 3.280 0.008 A 44 PRO HDy H 1 3.286 0.010 A 44 PRO HGx H 1 1.473 0.004 A 44 PRO HGy H 1 1.662 0.004 A 44 PRO CA C 13 64.712 0.050 A 44 PRO CB C 13 33.500 0.006 A 44 PRO CD C 13 48.629 0.035 A 45 SER H H 1 8.392 0.003 A 45 SER HA H 1 4.946 0.005 A 45 SER HBx H 1 3.681 0.007 A 45 SER HBy H 1 3.703 0.010 A 45 SER CA C 13 57.931 0.050 A 45 SER CB C 13 66.241 0.016 A 45 SER N N 15 120.658 0.010 A 46 VAL H H 1 8.548 0.004 A 46 VAL HA H 1 4.342 0.003 A 46 VAL HB H 1 1.921 0.004 A 46 VAL HG1% H 1 1.137 0.004 A 46 VAL HG2% H 1 0.903 0.002 A 47 LYS H H 1 8.350 0.002 A 47 LYS HA H 1 4.559 0.004 A 47 LYS HBx H 1 1.422 0.004 A 47 LYS HBy H 1 1.684 0.002 A 47 LYS HDy H 1 1.549 0.005 A 47 LYS HE2 H 1 2.906 0.004 A 47 LYS HE3 H 1 2.906 0.004 A 47 LYS HGx H 1 1.245 0.003 A 47 LYS HGy H 1 1.350 0.004 A 47 LYS CB C 13 33.327 0.050 A 47 LYS CD C 13 29.262 0.050 A 47 LYS CE C 13 41.709 0.050 A 47 LYS CG C 13 25.127 0.050 A 48 CYS H H 1 8.868 0.004 A 48 CYS HA H 1 4.653 0.006 A 48 CYS HBx H 1 1.683 0.003 A 48 CYS HBy H 1 2.148 0.001 A 48 CYS N N 15 123.704 0.010 A 49 PHE H H 1 8.534 0.004 A 49 PHE HA H 1 4.773 0.006 A 49 PHE HB2 H 1 2.806 0.003 A 49 PHE HB3 H 1 2.555 0.002 A 49 PHE HDx H 1 6.824 0.005 A 49 PHE HDy H 1 6.824 0.005 A 49 PHE HEx H 1 7.213 0.004 A 49 PHE HEy H 1 7.213 0.004 A 49 PHE CB C 13 41.036 0.088 A 49 PHE CDx C 13 131.323 0.050 A 49 PHE CDy C 13 131.323 0.050 A 49 PHE CEx C 13 131.505 0.050 A 49 PHE CEy C 13 131.505 0.050 A 50 CYS H H 1 8.995 0.003 A 50 CYS HA H 1 5.366 0.002 A 50 CYS HBy H 1 2.451 0.004 A 50 CYS HBx H 1 1.396 0.008 A 50 CYS CA C 13 51.653 0.050 A 50 CYS N N 15 121.520 0.010 A 51 LYS H H 1 8.213 0.006 A 51 LYS HA H 1 4.994 0.008 A 51 LYS HBx H 1 1.372 0.003 A 51 LYS HBy H 1 1.373 0.003 A 51 LYS HDx H 1 1.378 0.002 A 51 LYS HDy H 1 1.535 0.009 A 51 LYS HE2 H 1 2.772 0.009 A 51 LYS HE3 H 1 2.772 0.009 A 51 LYS HG2 H 1 1.123 0.004 A 51 LYS HG3 H 1 1.123 0.004 A 51 LYS HZ1 H 1 7.548 0.005 A 51 LYS HZ2 H 1 7.548 0.005 A 51 LYS HZ3 H 1 7.548 0.005 A 51 LYS CA C 13 54.366 0.050 A 51 LYS CB C 13 35.300 0.050 A 51 LYS CD C 13 29.060 0.050 A 51 LYS CE C 13 41.912 0.050 A 51 LYS CG C 13 25.210 0.050 A 51 LYS N N 15 120.278 0.010 A 52 ARG H H 1 8.835 0.009 A 52 ARG HA H 1 4.882 0.008 A 52 ARG HB2 H 1 1.977 0.003 A 52 ARG HB3 H 1 1.851 0.001 A 52 ARG HDx H 1 3.213 0.006 A 52 ARG HDy H 1 3.230 0.012 A 52 ARG HE H 1 7.198 0.001 A 52 ARG HGx H 1 1.563 0.006 A 52 ARG HGy H 1 1.596 0.011 A 52 ARG CG C 13 26.069 0.050 A 52 ARG N N 15 119.315 0.010 A 53 GLN H H 1 9.035 0.002 A 53 GLN HA H 1 4.538 0.005 A 53 GLN HBx H 1 2.045 0.004 A 53 GLN HBy H 1 2.158 0.002 A 53 GLN HE2x H 1 7.066 0.005 A 53 GLN HE2y H 1 7.701 0.005 A 53 GLN HG2 H 1 2.430 0.002 A 53 GLN HG3 H 1 2.430 0.002 A 54 CYS H H 1 8.507 0.008 A 54 CYS HA H 1 4.578 0.002 A 54 CYS HB2 H 1 3.156 0.005 A 54 CYS HB3 H 1 3.156 0.005 A 54 CYS N N 15 121.414 0.010 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 2 GLY H A 3 VAL H 1.0 1.8 5.29 2 2 A 3 VAL H A 3 VAL HG1% 1.0 1.8 4.20 3 3 A 3 VAL H A 3 VAL HG2% 1.0 1.8 4.20 4 4 A 3 VAL H A 3 VAL HB 1.0 1.8 3.60 5 5 A 3 VAL HA A 4 LYS H 1.0 1.8 2.76 6 6 A 4 LYS H A 3 VAL HG1% 1.0 1.8 4.33 7 7 A 4 LYS H A 3 VAL HG2% 1.0 1.8 4.33 8 8 A 4 LYS H A 4 LYS HD2 1.0 1.8 3.37 9 8 A 4 LYS H A 4 LYS HD3 1.0 1.8 3.37 10 9 A 4 LYS H A 4 LYS HB2 1.0 1.8 3.58 11 9 A 4 LYS H A 4 LYS HB3 1.0 1.8 3.58 12 10 A 4 LYS H A 5 LEU H 1.0 1.8 4.72 13 11 A 5 LEU H A 4 LYS HA 1.0 1.8 2.74 14 12 A 5 LEU H A 4 LYS HB2 1.0 1.8 4.30 15 12 A 4 LYS HB3 A 5 LEU H 1.0 1.8 4.30 16 13 A 5 LEU H A 5 LEU HD1% 1.0 1.8 4.25 17 14 A 5 LEU H A 5 LEU HB3 1.0 1.8 3.88 18 15 A 5 LEU H A 5 LEU HG 1.0 1.8 4.26 19 16 A 5 LEU H A 5 LEU HB2 1.0 1.8 3.42 20 17 A 5 LEU H A 6 CYS H 1.0 1.8 4.94 21 18 A 6 CYS H A 5 LEU HD2% 1.0 1.8 4.87 22 19 A 6 CYS H A 5 LEU HD1% 1.0 1.8 4.87 23 20 A 5 LEU HB3 A 6 CYS H 1.0 1.8 3.79 24 21 A 5 LEU HG A 6 CYS H 1.0 1.8 4.96 25 22 A 5 LEU HB2 A 6 CYS H 1.0 1.8 3.95 26 23 A 6 CYS H A 6 CYS HB3 1.0 1.8 3.93 27 24 A 6 CYS H A 6 CYS HB2 1.0 1.8 3.93 28 25 A 6 CYS H A 5 LEU HA 1.0 1.8 2.90 29 26 A 6 CYS H A 7 ASP H 1.0 1.8 4.97 30 27 A 6 CYS H A 54 CYS H 1.0 1.8 5.35 31 28 A 7 ASP H A 6 CYS HA 1.0 1.8 2.92 32 29 A 7 ASP HA A 8 VAL H 1.0 1.8 2.95 33 30 A 7 ASP H A 8 VAL H 1.0 1.8 4.85 34 31 A 8 VAL H A 8 VAL HG1% 1.0 1.8 4.04 35 32 A 8 VAL H A 8 VAL HG2% 1.0 1.8 4.04 36 33 A 8 VAL H A 8 VAL HB 1.0 1.8 4.01 37 34 A 8 VAL H A 7 ASP HB3 1.0 1.8 4.10 38 35 A 7 ASP H A 7 ASP HB3 1.0 1.8 3.71 39 36 A 8 VAL H A 7 ASP HB2 1.0 1.8 4.73 40 37 A 7 ASP H A 7 ASP HB2 1.0 1.8 3.20 41 38 A 8 VAL H A 51 LYS HA 1.0 1.8 4.33 42 39 A 10 SER H A 10 SER HBx 1.0 1.8 3.50 43 40 A 10 SER H A 49 PHE HA 1.0 1.8 4.80 44 41 A 10 SER H A 11 GLY H 1.0 1.8 5.42 45 42 A 11 GLY H A 10 SER HA 1.0 1.8 3.41 46 43 A 11 GLY H A 12 THR H 1.0 1.8 3.93 47 44 A 12 THR H A 12 THR HG2% 1.0 1.8 3.72 48 45 A 12 THR H A 13 TRP H 1.0 1.8 3.51 49 46 A 13 TRP H A 13 TRP HB2 1.0 1.8 3.56 50 47 A 13 TRP H A 13 TRP HB3 1.0 1.8 3.56 51 48 A 12 THR HG2% A 13 TRP H 1.0 1.8 4.68 52 49 A 13 TRP HA A 13 TRP HD1 1.0 1.8 4.50 53 50 A 13 TRP H A 13 TRP HD1 1.0 1.8 5.27 54 51 A 13 TRP H A 14 SER H 1.0 1.8 4.65 55 52 A 13 TRP HA A 14 SER H 1.0 1.8 2.96 56 53 A 14 SER H A 15 GLY H 1.0 1.8 4.42 57 54 A 16 HIS HA A 16 HIS HD2 1.0 1.8 4.81 58 55 A 16 HIS HD2 A 16 HIS H 1.0 1.8 5.35 59 56 A 17 CYS H A 17 CYS HB2 1.0 1.8 3.58 60 57 A 17 CYS H A 17 CYS HB3 1.0 1.8 3.64 61 58 A 17 CYS H A 16 HIS HBx 1.0 1.8 4.45 62 59 A 17 CYS H A 16 HIS HBy 1.0 1.8 4.45 63 60 A 16 HIS HA A 17 CYS H 1.0 1.8 3.01 64 61 A 17 CYS HB2 A 18 GLY H 1.0 1.8 4.60 65 62 A 18 GLY H A 17 CYS HA 1.0 1.8 3.30 66 63 A 18 GLY H A 19 SER H 1.0 1.8 3.39 67 64 A 19 SER H A 19 SER HB3 1.0 1.8 3.94 68 65 A 19 SER H A 19 SER HB2 1.0 1.8 3.94 69 66 A 25 GLN H A 25 GLN HGx 1.0 1.8 4.63 70 67 A 25 GLN H A 25 GLN HGy 1.0 1.8 4.63 71 68 A 25 GLN H A 25 GLN HB2 1.0 1.8 2.97 72 68 A 25 GLN H A 25 GLN HB3 1.0 1.8 2.97 73 69 A 25 GLN H A 24 SER H 1.0 1.8 3.64 74 70 A 25 GLN H A 26 GLN H 1.0 1.8 3.68 75 71 A 26 GLN H A 25 GLN HB2 1.0 1.8 3.47 76 71 A 25 GLN HB3 A 26 GLN H 1.0 1.8 3.47 77 72 A 26 GLN H A 26 GLN HB2 1.0 1.8 3.49 78 73 A 26 GLN H A 26 GLN HB3 1.0 1.8 3.49 79 74 A 34 ALA HA A 36 GLY H 1.0 1.8 4.60 80 75 A 26 GLN H A 27 CYS H 1.0 1.8 3.48 81 76 A 27 CYS H A 26 GLN HB2 1.0 1.8 3.86 82 77 A 27 CYS H A 26 GLN HB3 1.0 1.8 3.86 83 78 A 27 CYS H A 28 LYS H 1.0 1.8 3.53 84 79 A 28 LYS H A 28 LYS HG2 1.0 1.8 5.25 85 80 A 28 LYS H A 28 LYS HG3 1.0 1.8 5.25 86 81 A 28 LYS H A 28 LYS HB2 1.0 1.8 3.15 87 81 A 28 LYS H A 28 LYS HB3 1.0 1.8 3.15 88 82 A 28 LYS H A 27 CYS HBx 1.0 1.8 4.38 89 83 A 28 LYS H A 27 CYS HBy 1.0 1.8 4.38 90 84 A 28 LYS H A 29 ASP H 1.0 1.8 3.48 91 85 A 29 ASP H A 30 ARG H 1.0 1.8 3.70 92 86 A 29 ASP H A 28 LYS HB2 1.0 1.8 3.27 93 86 A 28 LYS HB3 A 29 ASP H 1.0 1.8 3.27 94 87 A 29 ASP H A 28 LYS HG2 1.0 1.8 5.50 95 88 A 29 ASP H A 28 LYS HG3 1.0 1.8 5.50 96 89 A 30 ARG H A 30 ARG HB2 1.0 1.8 3.34 97 89 A 30 ARG H A 30 ARG HB3 1.0 1.8 3.34 98 90 A 30 ARG H A 31 GLU H 1.0 1.8 3.29 99 91 A 31 GLU H A 30 ARG HB2 1.0 1.8 3.70 100 91 A 30 ARG HB3 A 31 GLU H 1.0 1.8 3.70 101 92 A 31 GLU HA A 32 HIS H 1.0 1.8 3.07 102 93 A 32 HIS HA A 32 HIS HD2 1.0 1.8 4.19 103 94 A 32 HIS H A 33 PHE H 1.0 1.8 3.68 104 95 A 33 PHE H A 32 HIS HB2 1.0 1.8 5.35 105 96 A 33 PHE H A 32 HIS HB3 1.0 1.8 5.35 106 97 A 33 PHE HA A 33 PHE HD% 1.0 1.8 3.30 107 98 A 33 PHE HE% A 52 ARG HA 1.0 1.8 4.16 108 99 A 33 PHE H A 33 PHE HB3 1.0 1.8 3.91 109 100 A 33 PHE H A 33 PHE HB2 1.0 1.8 3.91 110 101 A 33 PHE HA A 34 ALA H 1.0 1.8 2.92 111 102 A 34 ALA H A 34 ALA HB% 1.0 1.8 2.93 112 103 A 35 TYR HA A 35 TYR HD% 1.0 1.8 3.43 113 104 A 35 TYR H A 35 TYR HB3 1.0 1.8 3.80 114 105 A 35 TYR H A 35 TYR HB2 1.0 1.8 3.80 115 106 A 34 ALA HB% A 35 TYR H 1.0 1.8 3.63 116 107 A 35 TYR HD% A 35 TYR H 1.0 1.8 3.67 117 108 A 34 ALA H A 35 TYR H 1.0 1.8 3.71 118 109 A 36 GLY H A 35 TYR H 1.0 1.8 3.54 119 110 A 37 GLY H A 36 GLY HAy 1.0 1.8 3.54 120 111 A 37 GLY H A 36 GLY HAx 1.0 1.8 3.54 121 112 A 36 GLY H A 37 GLY H 1.0 1.8 4.79 122 113 A 37 GLY H A 38 ALA H 1.0 1.8 5.17 123 114 A 38 ALA H A 37 GLY HAy 1.0 1.8 3.34 124 115 A 38 ALA H A 37 GLY HAx 1.0 1.8 3.34 125 116 A 38 ALA HA A 39 CYS H 1.0 1.8 3.17 126 117 A 39 CYS H A 38 ALA HB% 1.0 1.8 3.23 127 118 A 39 CYS H A 39 CYS HB2 1.0 1.8 3.92 128 119 A 39 CYS H A 39 CYS HB3 1.0 1.8 3.92 129 120 A 39 CYS HA A 40 HIS H 1.0 1.8 3.11 130 121 A 40 HIS H A 39 CYS HB2 1.0 1.8 4.30 131 122 A 40 HIS H A 39 CYS HB3 1.0 1.8 4.30 132 123 A 40 HIS HA A 40 HIS HD2 1.0 1.8 5.05 133 124 A 40 HIS H A 47 LYS H 1.0 1.8 3.74 134 125 A 40 HIS H A 41 TYR H 1.0 1.8 4.93 135 126 A 40 HIS HA A 41 TYR H 1.0 1.8 2.75 136 127 A 41 TYR H A 41 TYR HB2 1.0 1.8 3.11 137 128 A 41 TYR HA A 41 TYR HD% 1.0 1.8 3.44 138 129 A 41 TYR HA A 41 TYR HE% 1.0 1.8 4.57 139 130 A 41 TYR H A 41 TYR HD% 1.0 1.8 4.37 140 131 A 41 TYR H A 42 GLN H 1.0 1.8 5.06 141 132 A 41 TYR HA A 42 GLN H 1.0 1.8 2.96 142 133 A 41 TYR HB2 A 42 GLN H 1.0 1.8 4.78 143 134 A 42 GLN H A 41 TYR HB3 1.0 1.8 4.75 144 135 A 42 GLN H A 42 GLN HGx 1.0 1.8 5.23 145 136 A 42 GLN H A 42 GLN HGy 1.0 1.8 5.23 146 137 A 41 TYR HD% A 42 GLN HA 1.0 1.8 4.00 147 138 A 41 TYR HD% A 42 GLN H 1.0 1.8 4.15 148 139 A 46 VAL H A 46 VAL HG1% 1.0 1.8 4.20 149 140 A 46 VAL H A 46 VAL HG2% 1.0 1.8 4.20 150 141 A 40 HIS H A 49 PHE HD% 1.0 1.8 4.01 151 142 A 5 LEU H A 5 LEU HD2% 1.0 1.8 4.25 152 143 A 10 SER H A 9 PRO HA 1.0 1.8 3.03 153 144 A 17 CYS HA A 19 SER H 1.0 1.8 4.49 154 145 A 19 SER HA A 20 SER H 1.0 1.8 3.23 155 146 A 17 CYS HB3 A 40 HIS H 1.0 1.8 4.99 156 147 A 48 CYS H A 48 CYS HBy 1.0 1.8 3.52 157 148 A 48 CYS H A 47 LYS HA 1.0 1.8 3.21 158 149 A 52 ARG H A 51 LYS HG2 1.0 1.8 5.50 159 150 A 52 ARG H A 51 LYS HG3 1.0 1.8 5.50 160 151 A 52 ARG H A 51 LYS HBy 1.0 1.8 3.78 161 152 A 50 CYS HA A 51 LYS H 1.0 1.8 3.23 162 153 A 22 LYS H A 22 LYS HGx 1.0 1.8 4.23 163 154 A 22 LYS H A 22 LYS HGy 1.0 1.8 4.23 164 155 A 22 LYS H A 22 LYS HBx 1.0 1.8 3.69 165 156 A 22 LYS H A 22 LYS HBy 1.0 1.8 3.69 166 157 A 24 SER H A 23 CYS H 1.0 1.8 3.57 167 158 A 22 LYS H A 23 CYS H 1.0 1.8 3.64 168 159 A 29 ASP H A 26 GLN HA 1.0 1.8 4.22 169 160 A 29 ASP H A 25 GLN HA 1.0 1.8 4.40 170 161 A 30 ARG H A 26 GLN HA 1.0 1.8 3.95 171 162 A 33 PHE H A 33 PHE HD% 1.0 1.8 3.82 172 163 A 41 TYR H A 41 TYR HB3 1.0 1.8 3.23 173 164 A 42 GLN HE2y A 42 GLN HBx 1.0 1.8 5.50 174 165 A 42 GLN HE2y A 42 GLN HBy 1.0 1.8 5.50 175 166 A 42 GLN HE2x A 42 GLN HBx 1.0 1.8 5.50 176 167 A 42 GLN HE2x A 42 GLN HBy 1.0 1.8 5.50 177 168 A 43 PHE HA A 44 PRO HA 1.0 1.8 2.88 178 169 A 46 VAL H A 45 SER HA 1.0 1.8 3.08 179 170 A 47 LYS H A 46 VAL HB 1.0 1.8 4.48 180 171 A 47 LYS H A 46 VAL HG1% 1.0 1.8 4.33 181 172 A 47 LYS H A 46 VAL HG2% 1.0 1.8 4.33 182 173 A 48 CYS H A 47 LYS HE2 1.0 1.8 5.50 183 174 A 48 CYS H A 47 LYS HE3 1.0 1.8 5.50 184 175 A 48 CYS H A 48 CYS HBx 1.0 1.8 3.52 185 176 A 47 LYS H A 48 CYS H 1.0 1.8 4.92 186 177 A 48 CYS H A 49 PHE H 1.0 1.8 4.77 187 178 A 49 PHE HA A 49 PHE HD% 1.0 1.8 5.05 188 179 A 49 PHE H A 49 PHE HB3 1.0 1.8 3.94 189 180 A 49 PHE H A 49 PHE HB2 1.0 1.8 3.51 190 181 A 49 PHE HB3 A 50 CYS H 1.0 1.8 4.08 191 182 A 50 CYS H A 50 CYS HBx 1.0 1.8 4.15 192 183 A 49 PHE H A 50 CYS H 1.0 1.8 4.99 193 184 A 38 ALA H A 38 ALA HB% 1.0 1.8 3.54 194 185 A 50 CYS H A 50 CYS HBy 1.0 1.8 4.15 195 186 A 53 GLN H A 52 ARG HGx 1.0 1.8 4.88 196 187 A 53 GLN H A 52 ARG HGy 1.0 1.8 4.88 197 188 A 53 GLN H A 53 GLN HBx 1.0 1.8 3.47 198 189 A 53 GLN H A 53 GLN HG2 1.0 1.8 4.97 199 190 A 53 GLN H A 53 GLN HG3 1.0 1.8 4.97 200 191 A 54 CYS H A 53 GLN HA 1.0 1.8 2.76 201 192 A 10 SER H A 9 PRO HBx 1.0 1.8 4.43 202 193 A 22 LYS H A 21 SER H 1.0 1.8 3.43 203 194 A 21 SER H A 21 SER HB2 1.0 1.8 3.16 204 194 A 21 SER H A 21 SER HB3 1.0 1.8 3.16 205 195 A 22 LYS H A 21 SER HB2 1.0 1.8 3.84 206 195 A 22 LYS H A 21 SER HB3 1.0 1.8 3.84 207 196 A 43 PHE H A 43 PHE HBy 1.0 1.8 3.35 208 197 A 43 PHE H A 43 PHE HBx 1.0 1.8 3.73 209 198 A 42 GLN HA A 43 PHE H 1.0 1.8 3.17 210 199 A 42 GLN H A 43 PHE H 1.0 1.8 4.81 211 200 A 6 CYS H A 51 LYS HBy 1.0 1.8 4.68 212 201 A 6 CYS H A 53 GLN HA 1.0 1.8 4.66 213 202 A 6 CYS H A 52 ARG H 1.0 1.8 3.73 214 203 A 5 LEU HB3 A 54 CYS H 1.0 1.8 5.13 215 204 A 54 CYS H A 3 VAL HG1% 1.0 1.8 5.50 216 205 A 54 CYS H A 3 VAL HG2% 1.0 1.8 5.50 217 206 A 18 GLY H A 13 TRP HZ2 1.0 1.8 3.99 218 207 A 8 VAL H A 49 PHE HB2 1.0 1.8 4.83 219 208 A 8 VAL H A 49 PHE HD% 1.0 1.8 4.57 220 209 A 8 VAL H A 52 ARG H 1.0 1.8 5.10 221 210 A 8 VAL H A 50 CYS H 1.0 1.8 4.09 222 211 A 10 SER H A 10 SER HBy 1.0 1.8 3.50 223 212 A 10 SER H A 9 PRO HBy 1.0 1.8 4.43 224 213 A 10 SER H A 49 PHE HD% 1.0 1.8 4.84 225 214 A 10 SER H A 50 CYS H 1.0 1.8 5.32 226 215 A 11 GLY H A 12 THR HG2% 1.0 1.8 5.10 227 216 A 11 GLY H A 13 TRP H 1.0 1.8 5.30 228 217 A 12 THR HA A 12 THR HB 1.0 1.8 2.99 229 218 A 3 VAL HA A 3 VAL HG1% 1.0 1.8 3.67 230 219 A 3 VAL HA A 3 VAL HG2% 1.0 1.8 3.67 231 220 A 12 THR HG2% A 12 THR HA 1.0 1.8 3.20 232 221 A 13 TRP H A 26 GLN HE21 1.0 1.8 5.03 233 222 A 13 TRP H A 26 GLN HE22 1.0 1.8 5.03 234 223 A 33 PHE HD% A 50 CYS HBy 1.0 1.8 4.09 235 224 A 33 PHE HD% A 50 CYS HBx 1.0 1.8 4.09 236 225 A 36 GLY H A 33 PHE HD% 1.0 1.8 5.50 237 226 A 33 PHE HD% A 51 LYS H 1.0 1.8 5.50 238 227 A 28 LYS H A 25 GLN HB2 1.0 1.8 5.50 239 227 A 25 GLN HB3 A 28 LYS H 1.0 1.8 5.50 240 228 A 28 LYS H A 25 GLN HA 1.0 1.8 4.11 241 229 A 15 GLY H A 14 SER HA 1.0 1.8 3.02 242 230 A 28 LYS H A 33 PHE H 1.0 1.8 5.50 243 231 A 17 CYS H A 46 VAL HG2% 1.0 1.8 5.25 244 232 A 17 CYS H A 46 VAL HG1% 1.0 1.8 5.25 245 233 A 40 HIS H A 46 VAL HG2% 1.0 1.8 5.12 246 234 A 40 HIS H A 46 VAL HG1% 1.0 1.8 5.12 247 235 A 38 ALA HB% A 40 HIS H 1.0 1.8 5.50 248 236 A 20 SER H A 20 SER HB2 1.0 1.8 4.13 249 237 A 20 SER H A 20 SER HB3 1.0 1.8 4.13 250 238 A 40 HIS H A 48 CYS HA 1.0 1.8 4.41 251 239 A 20 SER H A 22 LYS H 1.0 1.8 5.29 252 240 A 22 LYS H A 19 SER HB2 1.0 1.8 4.41 253 241 A 22 LYS H A 19 SER HB3 1.0 1.8 4.41 254 242 A 22 LYS H A 13 TRP HH2 1.0 1.8 5.17 255 243 A 23 CYS H A 19 SER HB2 1.0 1.8 5.50 256 244 A 23 CYS H A 19 SER HB3 1.0 1.8 5.50 257 245 A 23 CYS H A 13 TRP HH2 1.0 1.8 4.81 258 246 A 25 GLN H A 23 CYS H 1.0 1.8 5.32 259 247 A 49 PHE HD% A 49 PHE H 1.0 1.8 3.96 260 248 A 25 GLN HA A 25 GLN HGx 1.0 1.8 4.24 261 249 A 25 GLN HA A 25 GLN HGy 1.0 1.8 4.24 262 250 A 25 GLN H A 27 CYS H 1.0 1.8 5.22 263 251 A 26 GLN HA A 26 GLN HGx 1.0 1.8 3.95 264 252 A 26 GLN HA A 26 GLN HGy 1.0 1.8 3.95 265 253 A 26 GLN H A 13 TRP HZ3 1.0 1.8 4.93 266 254 A 26 GLN H A 13 TRP HE3 1.0 1.8 5.50 267 255 A 43 PHE H A 42 GLN HBx 1.0 1.8 5.36 268 256 A 43 PHE H A 42 GLN HBy 1.0 1.8 5.36 269 257 A 44 PRO HA A 43 PHE H 1.0 1.8 4.95 270 258 A 41 TYR HD% A 43 PHE H 1.0 1.8 4.81 271 259 A 41 TYR HE% A 43 PHE H 1.0 1.8 5.16 272 260 A 43 PHE H A 43 PHE HD% 1.0 1.8 4.55 273 261 A 33 PHE H A 28 LYS HA 1.0 1.8 3.26 274 262 A 33 PHE H A 28 LYS HG2 1.0 1.8 5.50 275 263 A 33 PHE H A 28 LYS HG3 1.0 1.8 5.50 276 264 A 33 PHE H A 28 LYS HB2 1.0 1.8 5.19 277 264 A 28 LYS HB3 A 33 PHE H 1.0 1.8 5.19 278 265 A 36 GLY H A 28 LYS HB2 1.0 1.8 5.24 279 265 A 36 GLY H A 28 LYS HB3 1.0 1.8 5.24 280 266 A 36 GLY H A 35 TYR HD% 1.0 1.8 5.18 281 267 A 37 GLY H A 38 ALA HB% 1.0 1.8 4.61 282 268 A 37 GLY H A 50 CYS HA 1.0 1.8 4.90 283 269 A 38 ALA H A 50 CYS HA 1.0 1.8 4.28 284 270 A 38 ALA H A 49 PHE H 1.0 1.8 3.80 285 271 A 39 CYS HA A 49 PHE HB2 1.0 1.8 5.01 286 272 A 39 CYS HA A 40 HIS HBx 1.0 1.8 5.50 287 273 A 39 CYS HA A 40 HIS HBy 1.0 1.8 5.50 288 274 A 17 CYS HB3 A 39 CYS HA 1.0 1.8 4.71 289 275 A 20 SER H A 21 SER HB2 1.0 1.8 5.19 290 275 A 20 SER H A 21 SER HB3 1.0 1.8 5.19 291 276 A 41 TYR H A 46 VAL HG2% 1.0 1.8 5.07 292 277 A 41 TYR H A 46 VAL HG1% 1.0 1.8 5.07 293 278 A 35 TYR HD% A 53 GLN H 1.0 1.8 4.70 294 279 A 42 GLN HA A 42 GLN HGx 1.0 1.8 4.05 295 280 A 42 GLN HA A 42 GLN HGy 1.0 1.8 4.05 296 281 A 41 TYR HE% A 42 GLN H 1.0 1.8 5.35 297 282 A 42 GLN H A 49 PHE HE% 1.0 1.8 5.42 298 283 A 42 GLN H A 45 SER H 1.0 1.8 5.43 299 284 A 47 LYS H A 42 GLN H 1.0 1.8 4.94 300 285 A 44 PRO HA A 43 PHE HBx 1.0 1.8 4.21 301 286 A 41 TYR HE% A 45 SER H 1.0 1.8 5.29 302 287 A 41 TYR HD% A 45 SER H 1.0 1.8 5.50 303 288 A 46 VAL HA A 46 VAL HG1% 1.0 1.8 3.44 304 289 A 46 VAL HA A 46 VAL HG2% 1.0 1.8 3.44 305 290 A 41 TYR HD% A 46 VAL H 1.0 1.8 4.91 306 291 A 47 LYS H A 46 VAL HA 1.0 1.8 2.87 307 292 A 47 LYS H A 49 PHE HE% 1.0 1.8 4.35 308 293 A 48 CYS H A 13 TRP HB2 1.0 1.8 5.16 309 294 A 48 CYS H A 13 TRP HB3 1.0 1.8 5.16 310 295 A 13 TRP HD1 A 48 CYS H 1.0 1.8 4.74 311 296 A 41 TYR HB2 A 46 VAL H 1.0 1.8 5.50 312 297 A 49 PHE H A 48 CYS HA 1.0 1.8 3.05 313 298 A 39 CYS HA A 49 PHE H 1.0 1.8 4.08 314 299 A 50 CYS H A 8 VAL HG1% 1.0 1.8 5.04 315 300 A 50 CYS H A 8 VAL HG2% 1.0 1.8 5.04 316 301 A 5 LEU HG A 5 LEU HA 1.0 1.8 3.77 317 302 A 5 LEU HA A 5 LEU HD1% 1.0 1.8 4.18 318 303 A 51 LYS H A 51 LYS HBx 1.0 1.8 3.11 319 304 A 51 LYS HA A 52 ARG H 1.0 1.8 2.93 320 305 A 7 ASP HA A 52 ARG H 1.0 1.8 4.44 321 306 A 52 ARG H A 8 VAL HG1% 1.0 1.8 5.50 322 307 A 52 ARG H A 8 VAL HG2% 1.0 1.8 5.50 323 308 A 5 LEU HB3 A 52 ARG H 1.0 1.8 4.81 324 309 A 53 GLN H A 53 GLN HBy 1.0 1.8 3.47 325 310 A 52 ARG H A 51 LYS H 1.0 1.8 4.97 326 311 A 8 VAL H A 49 PHE HB3 1.0 1.8 4.17 327 312 A 49 PHE HD% A 50 CYS H 1.0 1.8 4.80 328 313 A 10 SER H A 49 PHE HB3 1.0 1.8 5.47 329 314 A 33 PHE HD% A 50 CYS HA 1.0 1.8 5.41 330 315 A 39 CYS HA A 48 CYS HA 1.0 1.8 3.50 331 316 A 50 CYS HA A 37 GLY HAx 1.0 1.8 3.57 332 317 A 50 CYS HA A 37 GLY HAy 1.0 1.8 3.57 333 318 A 36 GLY H A 33 PHE HA 1.0 1.8 5.10 334 319 A 17 CYS HA A 13 TRP HE1 1.0 1.8 3.93 335 320 A 47 LYS HA A 13 TRP HE1 1.0 1.8 5.05 336 321 A 17 CYS HA A 13 TRP HZ2 1.0 1.8 3.41 337 322 A 38 ALA HB% A 49 PHE H 1.0 1.8 4.82 338 323 A 46 VAL H A 46 VAL HB 1.0 1.8 3.29 339 324 A 20 SER H A 21 SER H 1.0 1.8 3.57 340 325 A 18 GLY H A 13 TRP HE1 1.0 1.8 4.85 341 326 A 22 LYS HZ% A 22 LYS HGx 1.0 1.8 5.35 342 327 A 22 LYS HZ% A 22 LYS HGy 1.0 1.8 5.35 343 328 A 23 CYS H A 23 CYS HB2 1.0 1.8 3.87 344 329 A 23 CYS H A 23 CYS HB3 1.0 1.8 3.87 345 330 A 23 CYS H A 13 TRP HZ3 1.0 1.8 4.51 346 331 A 25 GLN HA A 28 LYS HE2 1.0 1.8 4.37 347 331 A 25 GLN HA A 28 LYS HE3 1.0 1.8 4.37 348 332 A 25 GLN HA A 28 LYS HB2 1.0 1.8 3.78 349 332 A 28 LYS HB3 A 25 GLN HA 1.0 1.8 3.78 350 333 A 34 ALA HA A 28 LYS HD2 1.0 1.8 5.02 351 333 A 34 ALA HA A 28 LYS HD3 1.0 1.8 5.02 352 334 A 26 GLN HA A 29 ASP HBx 1.0 1.8 4.55 353 335 A 26 GLN HA A 29 ASP HBy 1.0 1.8 4.55 354 336 A 27 CYS H A 29 ASP H 1.0 1.8 5.33 355 337 A 41 TYR HB2 A 46 VAL HA 1.0 1.8 4.74 356 338 A 34 ALA HB% A 35 TYR HA 1.0 1.8 4.34 357 339 A 29 ASP H A 31 GLU H 1.0 1.8 5.07 358 340 A 13 TRP HD1 A 17 CYS HA 1.0 1.8 5.28 359 341 A 13 TRP HH2 A 23 CYS HA 1.0 1.8 4.38 360 342 A 13 TRP HZ3 A 23 CYS HA 1.0 1.8 3.52 361 343 A 13 TRP HD1 A 48 CYS HBx 1.0 1.8 4.48 362 344 A 13 TRP HH2 A 22 LYS HBx 1.0 1.8 3.82 363 345 A 13 TRP HH2 A 22 LYS HBy 1.0 1.8 3.82 364 346 A 17 CYS HB2 A 13 TRP HZ2 1.0 1.8 4.74 365 347 A 13 TRP HD1 A 17 CYS HB2 1.0 1.8 5.00 366 348 A 13 TRP HD1 A 48 CYS HBy 1.0 1.8 4.48 367 349 A 17 CYS HB2 A 13 TRP HE1 1.0 1.8 4.59 368 350 A 16 HIS HD2 A 18 GLY HAx 1.0 1.8 4.72 369 351 A 16 HIS HD2 A 18 GLY HAy 1.0 1.8 4.72 370 352 A 16 HIS HE1 A 18 GLY HAx 1.0 1.8 5.46 371 353 A 16 HIS HE1 A 18 GLY HAy 1.0 1.8 5.46 372 354 A 46 VAL HB A 16 HIS HE1 1.0 1.8 4.99 373 355 A 16 HIS HE1 A 46 VAL HG1% 1.0 1.8 4.77 374 356 A 16 HIS HE1 A 46 VAL HG2% 1.0 1.8 4.77 375 357 A 33 PHE HA A 28 LYS HA 1.0 1.8 5.32 376 358 A 43 PHE HA A 43 PHE HD% 1.0 1.8 3.53 377 359 A 12 THR HG2% A 30 ARG HE 1.0 1.8 4.46 378 360 A 36 GLY H A 34 ALA H 1.0 1.8 4.81 379 361 A 40 HIS HD2 A 41 TYR H 1.0 1.8 5.35 380 362 A 41 TYR HD% A 45 SER HA 1.0 1.8 4.38 381 363 A 41 TYR HE% A 45 SER HA 1.0 1.8 3.94 382 364 A 41 TYR HD% A 46 VAL HA 1.0 1.8 4.08 383 365 A 41 TYR HE% A 46 VAL HA 1.0 1.8 5.24 384 366 A 41 TYR HE% A 43 PHE HA 1.0 1.8 3.80 385 367 A 41 TYR HE% A 44 PRO HA 1.0 1.8 5.23 386 368 A 41 TYR HD% A 43 PHE HBx 1.0 1.8 5.50 387 369 A 41 TYR HD% A 46 VAL HG1% 1.0 1.8 4.44 388 370 A 53 GLN H A 35 TYR HE% 1.0 1.8 4.68 389 371 A 52 ARG HA A 35 TYR HD% 1.0 1.8 4.53 390 372 A 40 HIS HA A 49 PHE HD% 1.0 1.8 5.36 391 373 A 7 ASP HB3 A 49 PHE HD% 1.0 1.8 3.51 392 374 A 35 TYR HD% A 51 LYS HBy 1.0 1.8 4.99 393 375 A 34 ALA HB% A 35 TYR HD% 1.0 1.8 3.89 394 376 A 35 TYR HD% A 5 LEU HD1% 1.0 1.8 3.72 395 377 A 35 TYR HE% A 5 LEU HD1% 1.0 1.8 4.52 396 378 A 35 TYR HE% A 3 VAL HG1% 1.0 1.8 4.18 397 379 A 35 TYR HE% A 3 VAL HG2% 1.0 1.8 4.18 398 380 A 36 GLY H A 28 LYS HG2 1.0 1.8 5.46 399 381 A 36 GLY H A 28 LYS HG3 1.0 1.8 5.46 400 382 A 35 TYR HD% A 5 LEU HD2% 1.0 1.8 3.72 401 383 A 35 TYR HE% A 5 LEU HD2% 1.0 1.8 4.52 402 384 A 33 PHE HA A 34 ALA HB% 1.0 1.8 4.18 403 385 A 44 PRO HA A 43 PHE HD% 1.0 1.8 3.57 404 386 A 17 CYS HB3 A 39 CYS H 1.0 1.8 5.50 405 387 A 41 TYR HA A 46 VAL HG1% 1.0 1.8 3.85 406 388 A 41 TYR HA A 46 VAL HG2% 1.0 1.8 3.85 407 389 A 40 HIS HA A 46 VAL HG1% 1.0 1.8 5.44 408 390 A 40 HIS HA A 46 VAL HG2% 1.0 1.8 5.44 409 391 A 40 HIS HA A 47 LYS H 1.0 1.8 5.34 410 392 A 7 ASP HA A 49 PHE HD% 1.0 1.8 4.67 411 393 A 47 LYS HA A 49 PHE HE% 1.0 1.8 4.94 412 394 A 49 PHE HD% A 9 PRO HA 1.0 1.8 3.84 413 395 A 3 VAL HB A 35 TYR HE% 1.0 1.8 4.89 414 396 A 49 PHE HE% A 42 GLN HBx 1.0 1.8 5.07 415 397 A 49 PHE HE% A 42 GLN HBy 1.0 1.8 5.07 416 398 A 40 HIS H A 49 PHE HE% 1.0 1.8 4.18 417 399 A 5 LEU HA A 5 LEU HD2% 1.0 1.8 4.18 418 400 A 17 CYS HB2 A 39 CYS HA 1.0 1.8 5.50 419 401 A 38 ALA HB% A 39 CYS HA 1.0 1.8 4.95 420 402 A 47 LYS HA A 47 LYS HGx 1.0 1.8 4.06 421 403 A 7 ASP HA A 8 VAL HG2% 1.0 1.8 5.50 422 404 A 7 ASP HA A 8 VAL HG1% 1.0 1.8 5.50 423 405 A 9 PRO HDx A 8 VAL HG1% 1.0 1.8 4.65 424 406 A 8 VAL HG2% A 9 PRO HDx 1.0 1.8 4.65 425 407 A 28 LYS HD3 A 36 GLY HAy 1.0 1.8 5.13 426 407 A 28 LYS HD2 A 36 GLY HAy 1.0 1.8 5.13 427 408 A 8 VAL HG2% A 52 ARG HDx 1.0 1.8 5.74 428 409 A 8 VAL HG1% A 52 ARG HDy 1.0 1.8 5.74 429 410 A 41 TYR HB2 A 46 VAL HG2% 1.0 1.8 4.32 430 411 A 41 TYR HB2 A 46 VAL HG1% 1.0 1.8 4.32 431 412 A 53 GLN HG2 A 3 VAL HG1% 1.0 1.8 4.90 432 413 A 3 VAL HG1% A 53 GLN HG3 1.0 1.8 4.90 433 414 A 5 LEU HB2 A 5 LEU HD1% 1.0 1.8 3.63 434 415 A 5 LEU HB2 A 5 LEU HD2% 1.0 1.8 3.63 435 416 A 5 LEU HB3 A 5 LEU HD2% 1.0 1.8 3.40 436 417 A 5 LEU HB3 A 5 LEU HD1% 1.0 1.8 3.40 437 418 A 5 LEU HB3 A 51 LYS HBy 1.0 1.8 3.80 438 419 A 7 ASP HA A 8 VAL HA 1.0 1.8 5.26 439 420 A 7 ASP HA A 49 PHE HA 1.0 1.8 5.50 440 421 A 17 CYS HA A 13 TRP HH2 1.0 1.8 5.05 441 422 A 33 PHE HD% A 8 VAL HG1% 1.0 1.8 5.23 442 423 A 33 PHE HD% A 8 VAL HG2% 1.0 1.8 5.23 443 424 A 41 TYR HD% A 46 VAL HG2% 1.0 1.8 4.44 444 425 A 41 TYR HD% A 42 GLN HBx 1.0 1.8 5.50 445 426 A 41 TYR HD% A 42 GLN HBy 1.0 1.8 5.50 446 427 A 41 TYR HD% A 43 PHE HA 1.0 1.8 4.73 447 428 A 35 TYR HD% A 51 LYS HBx 1.0 1.8 4.28 448 429 A 34 ALA HB% A 35 TYR HE% 1.0 1.8 4.57 449 430 A 4 LYS HA A 4 LYS HD2 1.0 1.8 3.52 450 430 A 4 LYS HD3 A 4 LYS HA 1.0 1.8 3.52 451 431 A 5 LEU HB2 A 51 LYS HA 1.0 1.8 4.54 452 432 A 5 LEU HB3 A 51 LYS HA 1.0 1.8 3.80 453 433 A 7 ASP HA A 49 PHE HB3 1.0 1.8 4.95 454 434 A 7 ASP HA A 49 PHE HB2 1.0 1.8 4.87 455 435 A 3 VAL HG2% A 53 GLN HG2 1.0 1.8 4.90 456 436 A 3 VAL HG2% A 53 GLN HG3 1.0 1.8 4.90 457 437 A 8 VAL HG1% A 9 PRO HDy 1.0 1.8 4.65 458 438 A 8 VAL HG2% A 9 PRO HDy 1.0 1.8 4.65 459 439 A 12 THR HG2% A 30 ARG HB2 1.0 1.8 4.50 460 439 A 12 THR HG2% A 30 ARG HB3 1.0 1.8 4.50 461 440 A 25 GLN HA A 28 LYS HD2 1.0 1.8 4.42 462 440 A 25 GLN HA A 28 LYS HD3 1.0 1.8 4.42 463 441 A 36 GLY HAx A 28 LYS HD2 1.0 1.8 5.13 464 441 A 28 LYS HD3 A 36 GLY HAx 1.0 1.8 5.13 465 442 A 28 LYS HA A 28 LYS HD2 1.0 1.8 4.33 466 442 A 28 LYS HA A 28 LYS HD3 1.0 1.8 4.33 467 443 A 47 LYS HA A 47 LYS HGy 1.0 1.8 4.06 468 444 A 43 PHE HA A 42 GLN HGx 1.0 1.8 5.23 469 445 A 43 PHE HA A 42 GLN HGy 1.0 1.8 5.23 470 446 A 5 LEU HB2 A 6 CYS HA 1.0 1.8 4.81 471 447 A 5 LEU HB3 A 52 ARG HA 1.0 1.8 4.70 472 448 A 3 VAL H A 3 VAL HG1% 1.0 1.8 3.43 473 448 A 3 VAL H A 3 VAL HG2% 1.0 1.8 3.43 474 449 A 3 VAL HA A 5 LEU HD2% 1.0 1.8 5.42 475 449 A 3 VAL HA A 5 LEU HD1% 1.0 1.8 5.42 476 450 A 3 VAL HB A 5 LEU HD2% 1.0 1.8 4.98 477 450 A 3 VAL HB A 5 LEU HD1% 1.0 1.8 4.98 478 451 A 4 LYS H A 3 VAL HG1% 1.0 1.8 3.71 479 451 A 4 LYS H A 3 VAL HG2% 1.0 1.8 3.71 480 452 A 3 VAL HG1% A 5 LEU HD2% 1.0 1.8 3.24 481 452 A 3 VAL HG2% A 5 LEU HD2% 1.0 1.8 3.24 482 452 A 5 LEU HD1% A 3 VAL HG1% 1.0 1.8 3.24 483 452 A 3 VAL HG2% A 5 LEU HD1% 1.0 1.8 3.24 484 453 A 53 GLN HA A 3 VAL HG1% 1.0 1.8 4.85 485 453 A 53 GLN HA A 3 VAL HG2% 1.0 1.8 4.85 486 454 A 3 VAL HG1% A 53 GLN HG3 1.0 1.8 3.57 487 454 A 3 VAL HG2% A 53 GLN HG3 1.0 1.8 3.57 488 454 A 53 GLN HG2 A 3 VAL HG1% 1.0 1.8 3.57 489 454 A 3 VAL HG2% A 53 GLN HG2 1.0 1.8 3.57 490 455 A 3 VAL HG1% A 53 GLN HE2y 1.0 1.8 4.95 491 455 A 3 VAL HG2% A 53 GLN HE2y 1.0 1.8 4.95 492 455 A 53 GLN HE2x A 3 VAL HG1% 1.0 1.8 4.95 493 455 A 3 VAL HG2% A 53 GLN HE2x 1.0 1.8 4.95 494 456 A 54 CYS H A 3 VAL HG1% 1.0 1.8 4.61 495 456 A 54 CYS H A 3 VAL HG2% 1.0 1.8 4.61 496 457 A 4 LYS HA A 5 LEU HD2% 1.0 1.8 4.82 497 457 A 4 LYS HA A 5 LEU HD1% 1.0 1.8 4.82 498 458 A 5 LEU HA A 5 LEU HD2% 1.0 1.8 3.05 499 458 A 5 LEU HA A 5 LEU HD1% 1.0 1.8 3.05 500 459 A 5 LEU HB2 A 5 LEU HD2% 1.0 1.8 2.99 501 459 A 5 LEU HB2 A 5 LEU HD1% 1.0 1.8 2.99 502 460 A 6 CYS H A 5 LEU HD2% 1.0 1.8 3.70 503 460 A 6 CYS H A 5 LEU HD1% 1.0 1.8 3.70 504 461 A 6 CYS HA A 5 LEU HD2% 1.0 1.8 5.44 505 461 A 6 CYS HA A 5 LEU HD1% 1.0 1.8 5.44 506 462 A 35 TYR H A 5 LEU HD2% 1.0 1.8 5.32 507 462 A 35 TYR H A 5 LEU HD1% 1.0 1.8 5.32 508 463 A 5 LEU HD2% A 35 TYR HB3 1.0 1.8 3.34 509 463 A 5 LEU HD1% A 35 TYR HB3 1.0 1.8 3.34 510 463 A 35 TYR HB2 A 5 LEU HD2% 1.0 1.8 3.34 511 463 A 5 LEU HD1% A 35 TYR HB2 1.0 1.8 3.34 512 464 A 35 TYR HE% A 5 LEU HD2% 1.0 1.8 3.80 513 464 A 35 TYR HE% A 5 LEU HD1% 1.0 1.8 3.80 514 465 A 51 LYS HBx A 5 LEU HD2% 1.0 1.8 4.18 515 465 A 51 LYS HBx A 5 LEU HD1% 1.0 1.8 4.18 516 466 A 51 LYS HBy A 5 LEU HD2% 1.0 1.8 4.34 517 466 A 51 LYS HBy A 5 LEU HD1% 1.0 1.8 4.34 518 467 A 52 ARG H A 5 LEU HD2% 1.0 1.8 4.66 519 467 A 52 ARG H A 5 LEU HD1% 1.0 1.8 4.66 520 468 A 53 GLN H A 5 LEU HD2% 1.0 1.8 4.26 521 468 A 53 GLN H A 5 LEU HD1% 1.0 1.8 4.26 522 469 A 53 GLN HA A 5 LEU HD2% 1.0 1.8 3.20 523 469 A 53 GLN HA A 5 LEU HD1% 1.0 1.8 3.20 524 470 A 5 LEU HD2% A 53 GLN HBx 1.0 1.8 4.07 525 470 A 5 LEU HD1% A 53 GLN HBx 1.0 1.8 4.07 526 470 A 53 GLN HBy A 5 LEU HD2% 1.0 1.8 4.07 527 470 A 5 LEU HD1% A 53 GLN HBy 1.0 1.8 4.07 528 471 A 5 LEU HD2% A 53 GLN HG3 1.0 1.8 3.66 529 471 A 5 LEU HD1% A 53 GLN HG3 1.0 1.8 3.66 530 471 A 53 GLN HG2 A 5 LEU HD2% 1.0 1.8 3.66 531 471 A 5 LEU HD1% A 53 GLN HG2 1.0 1.8 3.66 532 472 A 54 CYS H A 5 LEU HD2% 1.0 1.8 3.94 533 472 A 54 CYS H A 5 LEU HD1% 1.0 1.8 3.94 534 473 A 6 CYS H A 6 CYS HB2 1.0 1.8 3.33 535 473 A 6 CYS H A 6 CYS HB3 1.0 1.8 3.33 536 474 A 6 CYS H A 54 CYS HB2 1.0 1.8 4.57 537 474 A 6 CYS H A 54 CYS HB3 1.0 1.8 4.57 538 475 A 7 ASP H A 6 CYS HB2 1.0 1.8 3.43 539 475 A 7 ASP H A 6 CYS HB3 1.0 1.8 3.43 540 476 A 52 ARG H A 6 CYS HB2 1.0 1.8 4.58 541 476 A 52 ARG H A 6 CYS HB3 1.0 1.8 4.58 542 477 A 7 ASP H A 8 VAL HG1% 1.0 1.8 5.44 543 477 A 7 ASP H A 8 VAL HG2% 1.0 1.8 5.44 544 478 A 7 ASP HA A 8 VAL HG1% 1.0 1.8 4.44 545 478 A 7 ASP HA A 8 VAL HG2% 1.0 1.8 4.44 546 479 A 8 VAL H A 8 VAL HG1% 1.0 1.8 3.40 547 479 A 8 VAL H A 8 VAL HG2% 1.0 1.8 3.40 548 480 A 8 VAL H A 9 PRO HDy 1.0 1.8 5.13 549 480 A 8 VAL H A 9 PRO HDx 1.0 1.8 5.13 550 481 A 8 VAL HG2% A 9 PRO HDy 1.0 1.8 3.46 551 481 A 8 VAL HG1% A 9 PRO HDy 1.0 1.8 3.46 552 481 A 9 PRO HDx A 8 VAL HG1% 1.0 1.8 3.46 553 481 A 8 VAL HG2% A 9 PRO HDx 1.0 1.8 3.46 554 482 A 33 PHE HD% A 8 VAL HG1% 1.0 1.8 4.17 555 482 A 33 PHE HD% A 8 VAL HG2% 1.0 1.8 4.17 556 483 A 50 CYS H A 8 VAL HG1% 1.0 1.8 4.23 557 483 A 50 CYS H A 8 VAL HG2% 1.0 1.8 4.23 558 484 A 52 ARG H A 8 VAL HG1% 1.0 1.8 4.39 559 484 A 52 ARG H A 8 VAL HG2% 1.0 1.8 4.39 560 485 A 8 VAL HG2% A 52 ARG HDy 1.0 1.8 3.48 561 485 A 8 VAL HG1% A 52 ARG HDy 1.0 1.8 3.48 562 485 A 52 ARG HDx A 8 VAL HG1% 1.0 1.8 3.48 563 485 A 8 VAL HG2% A 52 ARG HDx 1.0 1.8 3.48 564 486 A 52 ARG HDx A 8 VAL HG1% 1.0 1.8 5.74 565 487 A 8 VAL HG2% A 52 ARG HDy 1.0 1.8 5.74 566 488 A 10 SER H A 9 PRO HBx 1.0 1.8 3.81 567 488 A 10 SER H A 9 PRO HBy 1.0 1.8 3.81 568 489 A 49 PHE HD% A 9 PRO HDy 1.0 1.8 4.29 569 489 A 49 PHE HD% A 9 PRO HDx 1.0 1.8 4.29 570 490 A 10 SER H A 48 CYS HBx 1.0 1.8 5.19 571 490 A 10 SER H A 48 CYS HBy 1.0 1.8 5.19 572 491 A 13 TRP H A 10 SER HBy 1.0 1.8 4.30 573 491 A 13 TRP H A 10 SER HBx 1.0 1.8 4.30 574 492 A 10 SER HBy A 13 TRP HB2 1.0 1.8 4.18 575 492 A 10 SER HBx A 13 TRP HB2 1.0 1.8 4.18 576 492 A 13 TRP HB3 A 10 SER HBy 1.0 1.8 4.18 577 492 A 10 SER HBx A 13 TRP HB3 1.0 1.8 4.18 578 493 A 13 TRP HD1 A 10 SER HBy 1.0 1.8 5.34 579 493 A 13 TRP HD1 A 10 SER HBx 1.0 1.8 5.34 580 494 A 48 CYS H A 10 SER HBy 1.0 1.8 5.04 581 494 A 48 CYS H A 10 SER HBx 1.0 1.8 5.04 582 495 A 10 SER HBy A 48 CYS HBx 1.0 1.8 4.16 583 495 A 10 SER HBx A 48 CYS HBx 1.0 1.8 4.16 584 495 A 48 CYS HBy A 10 SER HBy 1.0 1.8 4.16 585 495 A 48 CYS HBy A 10 SER HBx 1.0 1.8 4.16 586 496 A 50 CYS H A 10 SER HBy 1.0 1.8 5.16 587 496 A 50 CYS H A 10 SER HBx 1.0 1.8 5.16 588 497 A 12 THR HG2% A 11 GLY HAx 1.0 1.8 4.46 589 497 A 12 THR HG2% A 11 GLY HAy 1.0 1.8 4.46 590 498 A 13 TRP HD1 A 13 TRP HB2 1.0 1.8 3.35 591 498 A 13 TRP HD1 A 13 TRP HB3 1.0 1.8 3.35 592 499 A 13 TRP HB2 A 48 CYS HBx 1.0 1.8 3.84 593 499 A 48 CYS HBy A 13 TRP HB2 1.0 1.8 3.84 594 499 A 48 CYS HBy A 13 TRP HB3 1.0 1.8 3.84 595 499 A 13 TRP HB3 A 48 CYS HBx 1.0 1.8 3.84 596 500 A 13 TRP HD1 A 48 CYS HBx 1.0 1.8 3.94 597 500 A 13 TRP HD1 A 48 CYS HBy 1.0 1.8 3.94 598 501 A 26 GLN HE21 A 13 TRP HZ3 1.0 1.8 5.22 599 501 A 26 GLN HE22 A 13 TRP HZ3 1.0 1.8 5.22 600 502 A 13 TRP HZ2 A 22 LYS HBx 1.0 1.8 5.11 601 502 A 13 TRP HZ2 A 22 LYS HBy 1.0 1.8 5.11 602 503 A 13 TRP HH2 A 22 LYS HBx 1.0 1.8 3.27 603 503 A 13 TRP HH2 A 22 LYS HBy 1.0 1.8 3.27 604 504 A 16 HIS H A 15 GLY HAx 1.0 1.8 3.12 605 504 A 16 HIS H A 15 GLY HAy 1.0 1.8 3.12 606 505 A 16 HIS H A 16 HIS HBy 1.0 1.8 3.20 607 505 A 16 HIS H A 16 HIS HBx 1.0 1.8 3.20 608 506 A 16 HIS HD2 A 16 HIS HBy 1.0 1.8 3.49 609 506 A 16 HIS HD2 A 16 HIS HBx 1.0 1.8 3.49 610 507 A 16 HIS HD2 A 18 GLY HAy 1.0 1.8 3.95 611 507 A 16 HIS HD2 A 18 GLY HAx 1.0 1.8 3.95 612 508 A 16 HIS HD2 A 46 VAL HG1% 1.0 1.8 5.44 613 508 A 16 HIS HD2 A 46 VAL HG2% 1.0 1.8 5.44 614 509 A 16 HIS HE1 A 18 GLY HAy 1.0 1.8 4.65 615 509 A 16 HIS HE1 A 18 GLY HAx 1.0 1.8 4.65 616 510 A 16 HIS HE1 A 46 VAL HG1% 1.0 1.8 3.79 617 510 A 16 HIS HE1 A 46 VAL HG2% 1.0 1.8 3.79 618 511 A 17 CYS H A 46 VAL HG1% 1.0 1.8 4.12 619 511 A 17 CYS H A 46 VAL HG2% 1.0 1.8 4.12 620 512 A 17 CYS HA A 46 VAL HG1% 1.0 1.8 5.06 621 512 A 17 CYS HA A 46 VAL HG2% 1.0 1.8 5.06 622 513 A 17 CYS HB2 A 39 CYS HB2 1.0 1.8 4.64 623 513 A 17 CYS HB2 A 39 CYS HB3 1.0 1.8 4.64 624 514 A 17 CYS HB3 A 46 VAL HG1% 1.0 1.8 3.39 625 514 A 17 CYS HB3 A 46 VAL HG2% 1.0 1.8 3.39 626 515 A 19 SER H A 19 SER HB3 1.0 1.8 3.32 627 515 A 19 SER H A 19 SER HB2 1.0 1.8 3.32 628 516 A 22 LYS H A 19 SER HB3 1.0 1.8 3.72 629 516 A 22 LYS H A 19 SER HB2 1.0 1.8 3.72 630 517 A 19 SER HB3 A 22 LYS HBx 1.0 1.8 4.67 631 517 A 19 SER HB2 A 22 LYS HBx 1.0 1.8 4.67 632 517 A 22 LYS HBy A 19 SER HB3 1.0 1.8 4.67 633 517 A 22 LYS HBy A 19 SER HB2 1.0 1.8 4.67 634 518 A 22 LYS HZ% A 19 SER HB3 1.0 1.8 5.34 635 518 A 22 LYS HZ% A 19 SER HB2 1.0 1.8 5.34 636 519 A 23 CYS H A 19 SER HB3 1.0 1.8 4.67 637 519 A 23 CYS H A 19 SER HB2 1.0 1.8 4.67 638 520 A 20 SER H A 20 SER HB3 1.0 1.8 3.62 639 520 A 20 SER H A 20 SER HB2 1.0 1.8 3.62 640 521 A 22 LYS H A 22 LYS HBx 1.0 1.8 3.13 641 521 A 22 LYS H A 22 LYS HBy 1.0 1.8 3.13 642 522 A 22 LYS H A 22 LYS HGy 1.0 1.8 3.63 643 522 A 22 LYS H A 22 LYS HGx 1.0 1.8 3.63 644 523 A 23 CYS H A 22 LYS HBx 1.0 1.8 3.86 645 523 A 23 CYS H A 22 LYS HBy 1.0 1.8 3.86 646 524 A 23 CYS H A 23 CYS HB2 1.0 1.8 3.30 647 524 A 23 CYS H A 23 CYS HB3 1.0 1.8 3.30 648 525 A 24 SER H A 23 CYS HB2 1.0 1.8 3.62 649 525 A 24 SER H A 23 CYS HB3 1.0 1.8 3.62 650 526 A 24 SER H A 24 SER HBx 1.0 1.8 3.20 651 526 A 24 SER H A 24 SER HBy 1.0 1.8 3.20 652 527 A 27 CYS H A 24 SER HBx 1.0 1.8 5.33 653 527 A 27 CYS H A 24 SER HBy 1.0 1.8 5.33 654 528 A 28 LYS H A 24 SER HBx 1.0 1.8 4.98 655 528 A 28 LYS H A 24 SER HBy 1.0 1.8 4.98 656 529 A 37 GLY H A 24 SER HBx 1.0 1.8 3.24 657 529 A 37 GLY H A 24 SER HBy 1.0 1.8 3.24 658 530 A 24 SER HBy A 37 GLY HAy 1.0 1.8 4.70 659 530 A 37 GLY HAx A 24 SER HBx 1.0 1.8 4.70 660 530 A 24 SER HBy A 37 GLY HAx 1.0 1.8 4.70 661 530 A 24 SER HBx A 37 GLY HAy 1.0 1.8 4.70 662 531 A 38 ALA HB% A 24 SER HBx 1.0 1.8 5.34 663 531 A 38 ALA HB% A 24 SER HBy 1.0 1.8 5.34 664 532 A 25 GLN H A 25 GLN HGy 1.0 1.8 4.05 665 532 A 25 GLN H A 25 GLN HGx 1.0 1.8 4.05 666 533 A 25 GLN HA A 28 LYS HG3 1.0 1.8 4.58 667 533 A 25 GLN HA A 28 LYS HG2 1.0 1.8 4.58 668 534 A 26 GLN H A 26 GLN HB2 1.0 1.8 3.02 669 534 A 26 GLN H A 26 GLN HB3 1.0 1.8 3.02 670 535 A 26 GLN HA A 26 GLN HGy 1.0 1.8 3.35 671 535 A 26 GLN HA A 26 GLN HGx 1.0 1.8 3.35 672 536 A 26 GLN HA A 29 ASP HBy 1.0 1.8 3.79 673 536 A 26 GLN HA A 29 ASP HBx 1.0 1.8 3.79 674 537 A 27 CYS H A 26 GLN HB2 1.0 1.8 3.36 675 537 A 27 CYS H A 26 GLN HB3 1.0 1.8 3.36 676 538 A 26 GLN HE21 A 26 GLN HGy 1.0 1.8 3.17 677 538 A 26 GLN HE21 A 26 GLN HGx 1.0 1.8 3.17 678 538 A 26 GLN HE22 A 26 GLN HGx 1.0 1.8 3.17 679 538 A 26 GLN HE22 A 26 GLN HGy 1.0 1.8 3.17 680 539 A 27 CYS H A 27 CYS HBx 1.0 1.8 3.30 681 539 A 27 CYS H A 27 CYS HBy 1.0 1.8 3.30 682 540 A 28 LYS H A 27 CYS HBx 1.0 1.8 3.66 683 540 A 28 LYS H A 27 CYS HBy 1.0 1.8 3.66 684 541 A 28 LYS H A 28 LYS HG3 1.0 1.8 4.58 685 541 A 28 LYS H A 28 LYS HG2 1.0 1.8 4.58 686 542 A 28 LYS HB2 A 36 GLY HAy 1.0 1.8 4.38 687 542 A 28 LYS HB3 A 36 GLY HAy 1.0 1.8 4.38 688 542 A 36 GLY HAx A 28 LYS HB2 1.0 1.8 4.38 689 542 A 28 LYS HB3 A 36 GLY HAx 1.0 1.8 4.38 690 543 A 36 GLY H A 28 LYS HG3 1.0 1.8 4.58 691 543 A 36 GLY H A 28 LYS HG2 1.0 1.8 4.58 692 544 A 28 LYS HG3 A 36 GLY HAy 1.0 1.8 4.49 693 544 A 28 LYS HG2 A 36 GLY HAy 1.0 1.8 4.49 694 544 A 36 GLY HAx A 28 LYS HG3 1.0 1.8 4.49 695 544 A 28 LYS HG2 A 36 GLY HAx 1.0 1.8 4.49 696 545 A 28 LYS HD3 A 36 GLY HAy 1.0 1.8 4.50 697 545 A 36 GLY HAx A 28 LYS HD2 1.0 1.8 4.50 698 545 A 28 LYS HD3 A 36 GLY HAx 1.0 1.8 4.50 699 545 A 28 LYS HD2 A 36 GLY HAy 1.0 1.8 4.50 700 546 A 30 ARG H A 30 ARG HGx 1.0 1.8 3.70 701 546 A 30 ARG H A 30 ARG HGy 1.0 1.8 3.70 702 547 A 31 GLU H A 31 GLU HBx 1.0 1.8 3.54 703 547 A 31 GLU H A 31 GLU HBy 1.0 1.8 3.54 704 548 A 31 GLU H A 31 GLU HGx 1.0 1.8 3.77 705 548 A 31 GLU H A 31 GLU HGy 1.0 1.8 3.77 706 549 A 32 HIS H A 32 HIS HB3 1.0 1.8 3.67 707 549 A 32 HIS H A 32 HIS HB2 1.0 1.8 3.67 708 550 A 33 PHE H A 33 PHE HB3 1.0 1.8 3.27 709 550 A 33 PHE H A 33 PHE HB2 1.0 1.8 3.27 710 551 A 34 ALA H A 33 PHE HB3 1.0 1.8 4.32 711 551 A 34 ALA H A 33 PHE HB2 1.0 1.8 4.32 712 552 A 35 TYR H A 33 PHE HB3 1.0 1.8 4.45 713 552 A 35 TYR H A 33 PHE HB2 1.0 1.8 4.45 714 553 A 33 PHE HB3 A 50 CYS HBy 1.0 1.8 4.28 715 553 A 33 PHE HB2 A 50 CYS HBy 1.0 1.8 4.28 716 553 A 50 CYS HBx A 33 PHE HB3 1.0 1.8 4.28 717 553 A 33 PHE HB2 A 50 CYS HBx 1.0 1.8 4.28 718 554 A 33 PHE HD% A 50 CYS HBy 1.0 1.8 3.55 719 554 A 33 PHE HD% A 50 CYS HBx 1.0 1.8 3.55 720 555 A 33 PHE HD% A 52 ARG HB2 1.0 1.8 3.82 721 555 A 33 PHE HD% A 52 ARG HB3 1.0 1.8 3.82 722 556 A 33 PHE HE% A 50 CYS HBy 1.0 1.8 4.52 723 556 A 33 PHE HE% A 50 CYS HBx 1.0 1.8 4.52 724 557 A 35 TYR H A 35 TYR HB3 1.0 1.8 3.18 725 557 A 35 TYR H A 35 TYR HB2 1.0 1.8 3.18 726 558 A 36 GLY H A 35 TYR HB3 1.0 1.8 4.31 727 558 A 36 GLY H A 35 TYR HB2 1.0 1.8 4.31 728 559 A 51 LYS HBx A 35 TYR HB3 1.0 1.8 3.89 729 559 A 51 LYS HBx A 35 TYR HB2 1.0 1.8 3.89 730 560 A 35 TYR HD% A 53 GLN HBx 1.0 1.8 4.98 731 560 A 35 TYR HD% A 53 GLN HBy 1.0 1.8 4.98 732 561 A 35 TYR HD% A 53 GLN HG3 1.0 1.8 4.55 733 561 A 35 TYR HD% A 53 GLN HG2 1.0 1.8 4.55 734 562 A 35 TYR HE% A 53 GLN HBx 1.0 1.8 4.07 735 562 A 35 TYR HE% A 53 GLN HBy 1.0 1.8 4.07 736 563 A 37 GLY H A 36 GLY HAy 1.0 1.8 2.88 737 563 A 37 GLY H A 36 GLY HAx 1.0 1.8 2.88 738 564 A 38 ALA HB% A 37 GLY HAy 1.0 1.8 3.91 739 564 A 38 ALA HB% A 37 GLY HAx 1.0 1.8 3.91 740 565 A 51 LYS H A 37 GLY HAy 1.0 1.8 4.03 741 565 A 51 LYS H A 37 GLY HAx 1.0 1.8 4.03 742 566 A 39 CYS H A 39 CYS HB2 1.0 1.8 3.29 743 566 A 39 CYS H A 39 CYS HB3 1.0 1.8 3.29 744 567 A 39 CYS HA A 40 HIS HBy 1.0 1.8 4.81 745 567 A 39 CYS HA A 40 HIS HBx 1.0 1.8 4.81 746 568 A 39 CYS HA A 46 VAL HG1% 1.0 1.8 4.26 747 568 A 39 CYS HA A 46 VAL HG2% 1.0 1.8 4.26 748 569 A 40 HIS H A 39 CYS HB2 1.0 1.8 3.67 749 569 A 40 HIS H A 39 CYS HB3 1.0 1.8 3.67 750 570 A 39 CYS HB3 A 46 VAL HG1% 1.0 1.8 3.05 751 570 A 39 CYS HB2 A 46 VAL HG1% 1.0 1.8 3.05 752 570 A 46 VAL HG2% A 39 CYS HB2 1.0 1.8 3.05 753 570 A 46 VAL HG2% A 39 CYS HB3 1.0 1.8 3.05 754 571 A 40 HIS H A 46 VAL HG1% 1.0 1.8 3.69 755 571 A 40 HIS H A 46 VAL HG2% 1.0 1.8 3.69 756 572 A 40 HIS H A 47 LYS HBx 1.0 1.8 5.21 757 572 A 40 HIS H A 47 LYS HBy 1.0 1.8 5.21 758 573 A 40 HIS HA A 46 VAL HG1% 1.0 1.8 4.04 759 573 A 40 HIS HA A 46 VAL HG2% 1.0 1.8 4.04 760 574 A 40 HIS HBy A 46 VAL HG1% 1.0 1.8 4.63 761 574 A 40 HIS HBx A 46 VAL HG1% 1.0 1.8 4.63 762 574 A 46 VAL HG2% A 40 HIS HBy 1.0 1.8 4.63 763 574 A 46 VAL HG2% A 40 HIS HBx 1.0 1.8 4.63 764 575 A 47 LYS H A 40 HIS HBy 1.0 1.8 4.72 765 575 A 47 LYS H A 40 HIS HBx 1.0 1.8 4.72 766 576 A 49 PHE H A 40 HIS HBy 1.0 1.8 5.34 767 576 A 49 PHE H A 40 HIS HBx 1.0 1.8 5.34 768 577 A 49 PHE HD% A 40 HIS HBy 1.0 1.8 3.63 769 577 A 49 PHE HD% A 40 HIS HBx 1.0 1.8 3.63 770 578 A 41 TYR H A 46 VAL HG1% 1.0 1.8 4.20 771 578 A 41 TYR H A 46 VAL HG2% 1.0 1.8 4.20 772 579 A 41 TYR HB2 A 46 VAL HG1% 1.0 1.8 3.71 773 579 A 41 TYR HB2 A 46 VAL HG2% 1.0 1.8 3.71 774 580 A 41 TYR HD% A 42 GLN HBx 1.0 1.8 4.83 775 580 A 41 TYR HD% A 42 GLN HBy 1.0 1.8 4.83 776 581 A 41 TYR HD% A 46 VAL HG1% 1.0 1.8 3.23 777 581 A 41 TYR HD% A 46 VAL HG2% 1.0 1.8 3.23 778 582 A 41 TYR HE% A 46 VAL HG1% 1.0 1.8 3.90 779 582 A 41 TYR HE% A 46 VAL HG2% 1.0 1.8 3.90 780 583 A 42 GLN H A 42 GLN HBx 1.0 1.8 3.45 781 583 A 42 GLN H A 42 GLN HBy 1.0 1.8 3.45 782 584 A 42 GLN H A 42 GLN HGy 1.0 1.8 4.57 783 584 A 42 GLN H A 42 GLN HGx 1.0 1.8 4.57 784 585 A 42 GLN H A 46 VAL HG1% 1.0 1.8 4.78 785 585 A 42 GLN H A 46 VAL HG2% 1.0 1.8 4.78 786 586 A 42 GLN HA A 42 GLN HE2x 1.0 1.8 5.32 787 586 A 42 GLN HA A 42 GLN HE2y 1.0 1.8 5.32 788 587 A 42 GLN HE2x A 42 GLN HBx 1.0 1.8 4.17 789 587 A 42 GLN HE2x A 42 GLN HBy 1.0 1.8 4.17 790 587 A 42 GLN HE2y A 42 GLN HBy 1.0 1.8 4.17 791 587 A 42 GLN HE2y A 42 GLN HBx 1.0 1.8 4.17 792 588 A 49 PHE HE% A 42 GLN HBx 1.0 1.8 4.44 793 588 A 49 PHE HE% A 42 GLN HBy 1.0 1.8 4.44 794 589 A 43 PHE H A 42 GLN HGy 1.0 1.8 4.31 795 589 A 43 PHE H A 42 GLN HGx 1.0 1.8 4.31 796 590 A 43 PHE HA A 44 PRO HBy 1.0 1.8 4.56 797 590 A 43 PHE HA A 44 PRO HBx 1.0 1.8 4.56 798 591 A 45 SER H A 44 PRO HGx 1.0 1.8 4.30 799 591 A 45 SER H A 44 PRO HGy 1.0 1.8 4.30 800 592 A 45 SER H A 44 PRO HDx 1.0 1.8 3.88 801 592 A 45 SER H A 44 PRO HDy 1.0 1.8 3.88 802 593 A 45 SER H A 45 SER HBx 1.0 1.8 3.59 803 593 A 45 SER H A 45 SER HBy 1.0 1.8 3.59 804 594 A 46 VAL H A 45 SER HBx 1.0 1.8 3.27 805 594 A 46 VAL H A 45 SER HBy 1.0 1.8 3.27 806 595 A 46 VAL H A 46 VAL HG1% 1.0 1.8 3.32 807 595 A 46 VAL H A 46 VAL HG2% 1.0 1.8 3.32 808 596 A 47 LYS H A 46 VAL HG1% 1.0 1.8 3.48 809 596 A 47 LYS H A 46 VAL HG2% 1.0 1.8 3.48 810 597 A 47 LYS HA A 46 VAL HG1% 1.0 1.8 3.83 811 597 A 47 LYS HA A 46 VAL HG2% 1.0 1.8 3.83 812 598 A 47 LYS H A 47 LYS HGy 1.0 1.8 4.44 813 598 A 47 LYS H A 47 LYS HGx 1.0 1.8 4.44 814 599 A 47 LYS HA A 47 LYS HDx 1.0 1.8 4.18 815 599 A 47 LYS HA A 47 LYS HDy 1.0 1.8 4.18 816 600 A 48 CYS H A 47 LYS HBx 1.0 1.8 3.90 817 600 A 48 CYS H A 47 LYS HBy 1.0 1.8 3.90 818 601 A 49 PHE HD% A 47 LYS HBx 1.0 1.8 4.51 819 601 A 49 PHE HD% A 47 LYS HBy 1.0 1.8 4.51 820 602 A 48 CYS H A 47 LYS HGy 1.0 1.8 4.57 821 602 A 48 CYS H A 47 LYS HGx 1.0 1.8 4.57 822 603 A 48 CYS H A 48 CYS HBx 1.0 1.8 2.97 823 603 A 48 CYS H A 48 CYS HBy 1.0 1.8 2.97 824 604 A 50 CYS H A 50 CYS HBy 1.0 1.8 3.51 825 604 A 50 CYS H A 50 CYS HBx 1.0 1.8 3.51 826 605 A 51 LYS H A 50 CYS HBy 1.0 1.8 3.53 827 605 A 51 LYS H A 50 CYS HBx 1.0 1.8 3.53 828 606 A 51 LYS H A 51 LYS HG3 1.0 1.8 4.05 829 606 A 51 LYS H A 51 LYS HG2 1.0 1.8 4.05 830 607 A 52 ARG H A 52 ARG HB2 1.0 1.8 3.64 831 607 A 52 ARG H A 52 ARG HB3 1.0 1.8 3.64 832 608 A 52 ARG H A 52 ARG HGy 1.0 1.8 3.67 833 608 A 52 ARG H A 52 ARG HGx 1.0 1.8 3.67 834 609 A 53 GLN H A 52 ARG HGy 1.0 1.8 4.07 835 609 A 53 GLN H A 52 ARG HGx 1.0 1.8 4.07 836 610 A 53 GLN H A 53 GLN HBx 1.0 1.8 2.99 837 610 A 53 GLN H A 53 GLN HBy 1.0 1.8 2.99 838 611 A 53 GLN H A 53 GLN HG3 1.0 1.8 4.19 839 611 A 53 GLN H A 53 GLN HG2 1.0 1.8 4.19 840 612 A 53 GLN HA A 53 GLN HG3 1.0 1.8 3.74 841 612 A 53 GLN HA A 53 GLN HG2 1.0 1.8 3.74 842 613 A 54 CYS H A 54 CYS HB2 1.0 1.8 3.43 843 613 A 54 CYS H A 54 CYS HB3 1.0 1.8 3.43 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 6 CYS H A 52 ARG O 1.0 0.0 2.0 2 2 A 52 ARG O A 6 CYS N 1.0 0.0 3.0 3 3 A 8 VAL H A 50 CYS O 1.0 0.0 2.0 4 4 A 50 CYS O A 8 VAL N 1.0 0.0 3.0 5 5 A 25 GLN H A 21 SER O 1.0 0.0 2.0 6 6 A 21 SER O A 25 GLN N 1.0 0.0 3.0 7 7 A 26 GLN H A 22 LYS O 1.0 0.0 2.0 8 8 A 22 LYS O A 26 GLN N 1.0 0.0 3.0 9 9 A 28 LYS H A 24 SER O 1.0 0.0 2.0 10 10 A 24 SER O A 28 LYS N 1.0 0.0 3.0 11 11 A 29 ASP H A 25 GLN O 1.0 0.0 2.0 12 12 A 25 GLN O A 29 ASP N 1.0 0.0 3.0 13 13 A 30 ARG H A 26 GLN O 1.0 0.0 2.0 14 14 A 26 GLN O A 30 ARG N 1.0 0.0 3.0 15 15 A 31 GLU H A 27 CYS O 1.0 0.0 2.0 16 16 A 27 CYS O A 31 GLU N 1.0 0.0 3.0 17 17 A 36 GLY H A 33 PHE O 1.0 0.0 2.0 18 18 A 33 PHE O A 36 GLY N 1.0 0.0 3.0 19 19 A 38 ALA H A 49 PHE O 1.0 0.0 2.0 20 20 A 49 PHE O A 38 ALA N 1.0 0.0 3.0 21 21 A 40 HIS H A 47 LYS O 1.0 0.0 2.0 22 22 A 47 LYS O A 40 HIS N 1.0 0.0 3.0 23 23 A 47 LYS H A 40 HIS O 1.0 0.0 2.0 24 24 A 40 HIS O A 47 LYS N 1.0 0.0 3.0 25 25 A 49 PHE H A 38 ALA O 1.0 0.0 2.0 26 26 A 38 ALA O A 49 PHE N 1.0 0.0 3.0 27 27 A 52 ARG H A 6 CYS O 1.0 0.0 2.0 28 28 A 6 CYS O A 52 ARG N 1.0 0.0 3.0 29 29 A 54 CYS H A 4 LYS O 1.0 0.0 2.0 30 30 A 4 LYS O A 54 CYS N 1.0 0.0 3.0 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 2 GLY C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -120.0 -40.0 PHI 2 2 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 LYS N 1.0 90.0 170.0 PSI 3 3 A 3 VAL C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -140.0 -60.0 PHI 4 4 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 LEU N 1.0 70.0 170.0 PSI 5 5 A 4 LYS C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -170.0 -70.0 PHI 6 6 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 CYS N 1.0 120.0 180.0 PSI 7 7 A 5 LEU N A 5 LEU CA A 5 LEU CB A 5 LEU CG 1.0 -90.0 -30.0 CHI1 8 8 A 5 LEU C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -180.0 -20.0 PHI 9 9 A 6 CYS N A 6 CYS CA A 6 CYS C A 7 ASP N 1.0 100.0 160.0 PSI 10 10 A 6 CYS N A 6 CYS CA A 6 CYS CB A 6 CYS SG 1.0 -90.0 -30.0 CHI1 11 11 A 6 CYS C A 7 ASP N A 7 ASP CA A 7 ASP C 1.0 -180.0 -20.0 PHI 12 12 A 7 ASP N A 7 ASP CA A 7 ASP C A 8 VAL N 1.0 100.0 180.0 PSI 13 13 A 7 ASP N A 7 ASP CA A 7 ASP CB A 7 ASP CG 1.0 -90.0 -30.0 CHI1 14 14 A 7 ASP C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -140.0 -60.0 PHI 15 15 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 PRO N 1.0 60.0 180.0 PSI 16 16 A 9 PRO C A 10 SER N A 10 SER CA A 10 SER C 1.0 -150.0 -50.0 PHI 17 17 A 10 SER N A 10 SER CA A 10 SER C A 11 GLY N 1.0 80.0 180.0 PSI 18 18 A 11 GLY C A 12 THR N A 12 THR CA A 12 THR C 1.0 -180.0 -20.0 PHI 19 19 A 12 THR C A 13 TRP N A 13 TRP CA A 13 TRP C 1.0 -110.0 -50.0 PHI 20 20 A 13 TRP N A 13 TRP CA A 13 TRP C A 14 SER N 1.0 100.0 160.0 PSI 21 21 A 13 TRP N A 13 TRP CA A 13 TRP CB A 13 TRP CG 1.0 -210.0 -150.0 CHI1 22 22 A 15 GLY C A 16 HIS N A 16 HIS CA A 16 HIS C 1.0 -150.0 -50.0 PHI 23 23 A 16 HIS N A 16 HIS CA A 16 HIS C A 17 CYS N 1.0 100.0 160.0 PSI 24 24 A 16 HIS C A 17 CYS N A 17 CYS CA A 17 CYS C 1.0 -170.0 -70.0 PHI 25 25 A 17 CYS N A 17 CYS CA A 17 CYS C A 18 GLY N 1.0 90.0 170.0 PSI 26 26 A 17 CYS N A 17 CYS CA A 17 CYS CB A 17 CYS SG 1.0 -210.0 -150.0 CHI1 27 27 A 18 GLY C A 19 SER N A 19 SER CA A 19 SER C 1.0 -170.0 -70.0 PHI 28 28 A 19 SER N A 19 SER CA A 19 SER C A 20 SER N 1.0 80.0 160.0 PSI 29 29 A 19 SER C A 20 SER N A 20 SER CA A 20 SER C 1.0 -120.0 -40.0 PHI 30 30 A 20 SER C A 21 SER N A 21 SER CA A 21 SER C 1.0 -140.0 -60.0 PHI 31 31 A 21 SER N A 21 SER CA A 21 SER C A 22 LYS N 1.0 -40.0 40.0 PSI 32 32 A 21 SER C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -150.0 -30.0 PHI 33 33 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 CYS N 1.0 -70.0 30.0 PSI 34 34 A 22 LYS C A 23 CYS N A 23 CYS CA A 23 CYS C 1.0 -90.0 -30.0 PHI 35 35 A 23 CYS N A 23 CYS CA A 23 CYS C A 24 SER N 1.0 -60.0 -20.0 PSI 36 36 A 23 CYS C A 24 SER N A 24 SER CA A 24 SER C 1.0 -90.0 -30.0 PHI 37 37 A 24 SER N A 24 SER CA A 24 SER C A 25 GLN N 1.0 -70.0 10.0 PSI 38 38 A 24 SER C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -130.0 -50.0 PHI 39 39 A 25 GLN C A 26 GLN N A 26 GLN CA A 26 GLN C 1.0 -110.0 -30.0 PHI 40 40 A 26 GLN N A 26 GLN CA A 26 GLN C A 27 CYS N 1.0 -80.0 0.0 PSI 41 41 A 26 GLN N A 26 GLN CA A 26 GLN CB A 26 GLN CG 1.0 -210.0 -150.0 CHI1 42 42 A 26 GLN C A 27 CYS N A 27 CYS CA A 27 CYS C 1.0 -90.0 -30.0 PHI 43 43 A 27 CYS N A 27 CYS CA A 27 CYS C A 28 LYS N 1.0 -70.0 -10.0 PSI 44 44 A 27 CYS C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -120.0 -40.0 PHI 45 45 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 ASP N 1.0 -70.0 -10.0 PSI 46 46 A 28 LYS C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -90.0 -30.0 PHI 47 47 A 29 ASP N A 29 ASP CA A 29 ASP C A 30 ARG N 1.0 -70.0 -10.0 PSI 48 48 A 29 ASP N A 29 ASP CA A 29 ASP CB A 29 ASP CG 1.0 -210.0 -150.0 CHI1 49 49 A 29 ASP C A 30 ARG N A 30 ARG CA A 30 ARG C 1.0 -120.0 -40.0 PHI 50 50 A 30 ARG C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -180.0 -20.0 PHI 51 51 A 31 GLU C A 32 HIS N A 32 HIS CA A 32 HIS C 1.0 -140.0 -60.0 PHI 52 52 A 32 HIS C A 33 PHE N A 33 PHE CA A 33 PHE C 1.0 -180.0 -20.0 PHI 53 53 A 33 PHE N A 33 PHE CA A 33 PHE CB A 33 PHE CG 1.0 -90.0 -30.0 CHI1 54 54 A 33 PHE C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -90.0 -30.0 PHI 55 55 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 TYR N 1.0 -60.0 0.0 PSI 56 56 A 34 ALA C A 35 TYR N A 35 TYR CA A 35 TYR C 1.0 -120.0 -40.0 PHI 57 57 A 35 TYR N A 35 TYR CA A 35 TYR C A 36 GLY N 1.0 -40.0 40.0 PSI 58 58 A 35 TYR N A 35 TYR CA A 35 TYR CB A 35 TYR CG 1.0 -90.0 -30.0 CHI1 59 59 A 37 GLY C A 38 ALA N A 38 ALA CA A 38 ALA C 1.0 -180.0 -20.0 PHI 60 60 A 38 ALA N A 38 ALA CA A 38 ALA C A 39 CYS N 1.0 100.0 180.0 PSI 61 61 A 38 ALA C A 39 CYS N A 39 CYS CA A 39 CYS C 1.0 -180.0 -20.0 PHI 62 62 A 39 CYS N A 39 CYS CA A 39 CYS C A 40 HIS N 1.0 100.0 180.0 PSI 63 63 A 39 CYS N A 39 CYS CA A 39 CYS CB A 39 CYS SG 1.0 -90.0 -30.0 CHI1 64 64 A 39 CYS C A 40 HIS N A 40 HIS CA A 40 HIS C 1.0 -170.0 -70.0 PHI 65 65 A 40 HIS N A 40 HIS CA A 40 HIS C A 41 TYR N 1.0 100.0 180.0 PSI 66 66 A 40 HIS C A 41 TYR N A 41 TYR CA A 41 TYR C 1.0 -180.0 -20.0 PHI 67 67 A 41 TYR N A 41 TYR CA A 41 TYR CB A 41 TYR CG 1.0 -210.0 -150.0 CHI1 68 68 A 42 GLN C A 43 PHE N A 43 PHE CA A 43 PHE C 1.0 -180.0 -20.0 PHI 69 69 A 43 PHE N A 43 PHE CA A 43 PHE CB A 43 PHE CG 1.0 -210.0 -150.0 CHI1 70 70 A 44 PRO C A 45 SER N A 45 SER CA A 45 SER C 1.0 -160.0 -80.0 PHI 71 71 A 45 SER N A 45 SER CA A 45 SER C A 46 VAL N 1.0 80.0 180.0 PSI 72 72 A 45 SER C A 46 VAL N A 46 VAL CA A 46 VAL C 1.0 -180.0 -20.0 PHI 73 73 A 46 VAL C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -150.0 -50.0 PHI 74 74 A 47 LYS N A 47 LYS CA A 47 LYS CB A 47 LYS CG 1.0 -210.0 -150.0 CHI1 75 75 A 47 LYS C A 48 CYS N A 48 CYS CA A 48 CYS C 1.0 -180.0 -40.0 PHI 76 76 A 48 CYS N A 48 CYS CA A 48 CYS C A 49 PHE N 1.0 80.0 180.0 PSI 77 77 A 48 CYS N A 48 CYS CA A 48 CYS CB A 48 CYS SG 1.0 -210.0 -150.0 CHI1 78 78 A 48 CYS C A 49 PHE N A 49 PHE CA A 49 PHE C 1.0 -150.0 -90.0 PHI 79 79 A 49 PHE N A 49 PHE CA A 49 PHE C A 50 CYS N 1.0 80.0 180.0 PSI 80 80 A 49 PHE N A 49 PHE CA A 49 PHE CB A 49 PHE CG 1.0 -90.0 -30.0 CHI1 81 81 A 49 PHE C A 50 CYS N A 50 CYS CA A 50 CYS C 1.0 -180.0 -20.0 PHI 82 82 A 50 CYS N A 50 CYS CA A 50 CYS C A 51 LYS N 1.0 100.0 180.0 PSI 83 83 A 50 CYS N A 50 CYS CA A 50 CYS CB A 50 CYS SG 1.0 -90.0 -30.0 CHI1 84 84 A 50 CYS C A 51 LYS N A 51 LYS CA A 51 LYS C 1.0 -170.0 -70.0 PHI 85 85 A 51 LYS N A 51 LYS CA A 51 LYS C A 52 ARG N 1.0 100.0 180.0 PSI 86 86 A 51 LYS C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -170.0 -70.0 PHI 87 87 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 GLN N 1.0 100.0 180.0 PSI 88 88 A 52 ARG N A 52 ARG CA A 52 ARG CB A 52 ARG CG 1.0 30.0 90.0 CHI1 stop_ save_