data_nef_c25881_2n95 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2N95 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 44 HIS NE2 2 2 ZN ZN 1 42 HIS NE2 2 2 ZN ZN 1 11 CYS SG 2 1 ZN ZN 1 14 CYS SG 2 1 ZN ZN 1 26 CYS SG 2 2 ZN ZN 1 35 CYS SG 2 1 ZN ZN 1 23 CYS SG 2 2 ZN ZN 1 31 CYS SG 2 1 ZN ZN 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 -2 GLY start . false 2 A -1 PRO middle . false 3 A 0 HIS middle . . 4 A 1 MET middle . . 5 A 2 VAL middle . . 6 A 3 SER middle . . 7 A 4 SER middle . . 8 A 5 ALA middle . . 9 A 6 VAL middle . . 10 A 7 LYS middle . . 11 A 8 CYS middle -HG . 12 A 9 GLY middle . false 13 A 10 ILE middle . . 14 A 11 CYS middle -HG . 15 A 12 ARG middle . . 16 A 13 GLY middle . false 17 A 14 VAL middle . . 18 A 15 ASP middle . . 19 A 16 GLY middle . false 20 A 17 LYS middle . . 21 A 18 TYR middle . . 22 A 19 LYS middle . . 23 A 20 CYS middle -HG . 24 A 21 PRO middle . false 25 A 22 LYS middle . . 26 A 23 CYS middle -HG . 27 A 24 GLY middle . false 28 A 25 VAL middle . . 29 A 26 ARG middle . . 30 A 27 TYR middle . . 31 A 28 CYS middle -HG . 32 A 29 SER middle . . 33 A 30 LEU middle . . 34 A 31 LYS middle . . 35 A 32 CYS middle -HG . 36 A 33 TYR middle . . 37 A 34 LYS middle . . 38 A 35 ASP middle . . 39 A 36 ALA middle . . 40 A 37 ALA middle . . 41 A 38 LYS middle . . 42 A 39 HIS middle -HE2 . 43 A 40 VAL middle . . 44 A 41 HIS middle -HE2 . 45 A 42 LYS middle . . 46 A 43 GLU middle . . 47 A 44 SER middle . . 48 A 45 GLU middle . . 49 A 46 GLN end . . 50 B 1 ZN . . . 51 B 2 ZN . . . 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 -1 PRO HA H 1 4.293 0.000 A -1 PRO HB2 H 1 2.106 0.005 A -1 PRO HB3 H 1 1.694 0.001 A -1 PRO HDx H 1 3.404 0.002 A -1 PRO HDy H 1 3.404 0.002 A -1 PRO HG2 H 1 1.84 0.004 A -1 PRO HG3 H 1 1.771 0.003 A -1 PRO CA C 13 63.002 0.037 A -1 PRO CB C 13 32.218 0.046 A -1 PRO CD C 13 49.511 0.020 A -1 PRO CG C 13 26.835 0.058 A 1 MET HA H 1 3.967 0.002 A 1 MET HBx H 1 2.15 0.001 A 1 MET HBy H 1 2.15 0.001 A 1 MET HE% H 1 1.923 0.001 A 1 MET HG2 H 1 1.948 0.004 A 1 MET HG3 H 1 1.771 0.007 A 1 MET CA C 13 57.335 0.022 A 1 MET CB C 13 34.18 0.035 A 1 MET CE C 13 16.792 0.016 A 1 MET CG C 13 30.16 0.063 A 2 VAL C C 13 175.654 0.000 A 2 VAL CA C 13 55.183 0.052 A 2 VAL CB C 13 33.173 0.000 A 3 SER H H 1 8.103 0.001 A 3 SER HA H 1 4.323 0.000 A 3 SER C C 13 176.021 0.000 A 3 SER CA C 13 62.208 0.072 A 3 SER N N 15 121.996 0.005 A 4 SER H H 1 8.298 0.006 A 4 SER HA H 1 4.317 0.000 A 4 SER HBx H 1 3.714 0.000 A 4 SER HBy H 1 3.714 0.000 A 4 SER C C 13 174.01 0.000 A 4 SER CA C 13 58.177 0.046 A 4 SER CB C 13 63.763 0.058 A 4 SER N N 15 119.715 0.003 A 5 ALA H H 1 8.119 0.004 A 5 ALA HA H 1 4.169 0.001 A 5 ALA HB% H 1 1.188 0.001 A 5 ALA C C 13 177.297 0.000 A 5 ALA CA C 13 52.384 0.030 A 5 ALA CB C 13 19.106 0.060 A 5 ALA N N 15 126.016 0.023 A 6 VAL H H 1 7.861 0.003 A 6 VAL HA H 1 3.948 0.002 A 6 VAL HB H 1 1.808 0.004 A 6 VAL HG1% H 1 0.747 0.002 A 6 VAL HG2% H 1 0.727 0.003 A 6 VAL C C 13 175.743 0.000 A 6 VAL CA C 13 61.668 0.047 A 6 VAL CB C 13 32.841 0.073 A 6 VAL CG1 C 13 21.267 0.049 A 6 VAL CG2 C 13 20.374 0.025 A 6 VAL N N 15 119.174 0.009 A 7 LYS H H 1 8.054 0.002 A 7 LYS HA H 1 4.167 0.003 A 7 LYS HB2 H 1 1.49 0.001 A 7 LYS HB3 H 1 1.38 0.001 A 7 LYS HD2 H 1 1.266 0.004 A 7 LYS HD3 H 1 1.266 0.004 A 7 LYS HEx H 1 2.763 0.004 A 7 LYS HEy H 1 2.763 0.004 A 7 LYS HGx H 1 1.15 0.005 A 7 LYS HGy H 1 1.15 0.005 A 7 LYS C C 13 175.665 0.000 A 7 LYS CA C 13 55.29 0.019 A 7 LYS CB C 13 33.541 0.055 A 7 LYS CD C 13 33.198 0.070 A 7 LYS CE C 13 42.167 0.000 A 7 LYS CG C 13 25.052 0.084 A 7 LYS N N 15 123.999 0.022 A 8 CYS H H 1 8.539 0.001 A 8 CYS HA H 1 3.643 0.001 A 8 CYS HB2 H 1 3.147 0.002 A 8 CYS HB3 H 1 2.385 0.003 A 8 CYS C C 13 177.383 0.000 A 8 CYS CA C 13 59.766 0.009 A 8 CYS CB C 13 30.909 0.056 A 8 CYS N N 15 121.428 0.015 A 9 GLY H H 1 9.365 0.001 A 9 GLY HA2 H 1 4.005 0.003 A 9 GLY HA3 H 1 3.64 0.001 A 9 GLY C C 13 172.77 0.000 A 9 GLY CA C 13 46.144 0.026 A 9 GLY N N 15 118.862 0.008 A 10 ILE H H 1 8.972 0.001 A 10 ILE HA H 1 3.982 0.003 A 10 ILE HB H 1 2.056 0.001 A 10 ILE HD1% H 1 0.325 0.001 A 10 ILE HG1x H 1 1.161 0.002 A 10 ILE HG1y H 1 1.161 0.002 A 10 ILE HG2% H 1 0.901 0.002 A 10 ILE C C 13 175.98 0.000 A 10 ILE CA C 13 63.056 0.037 A 10 ILE CB C 13 37.944 0.067 A 10 ILE CD1 C 13 11.794 0.033 A 10 ILE CG1 C 13 27.439 0.049 A 10 ILE CG2 C 13 18.146 0.021 A 10 ILE N N 15 122.885 0.015 A 11 CYS H H 1 8.466 0.001 A 11 CYS HA H 1 4.649 0.004 A 11 CYS HB2 H 1 3.027 0.001 A 11 CYS HB3 H 1 2.843 0.002 A 11 CYS C C 13 176.78 0.000 A 11 CYS CA C 13 59.094 0.026 A 11 CYS CB C 13 31.972 0.064 A 11 CYS N N 15 118.245 0.005 A 12 ARG H H 1 7.255 0.001 A 12 ARG HA H 1 4.216 0.002 A 12 ARG HB2 H 1 1.905 0.004 A 12 ARG HB3 H 1 2.052 0.005 A 12 ARG HDx H 1 3.031 0.002 A 12 ARG HDy H 1 3.031 0.002 A 12 ARG HGx H 1 1.374 0.002 A 12 ARG HGy H 1 1.374 0.002 A 12 ARG C C 13 175.637 0.000 A 12 ARG CA C 13 57.96 0.021 A 12 ARG CB C 13 27.104 0.083 A 12 ARG CD C 13 43.015 0.026 A 12 ARG CG C 13 27.363 0.082 A 12 ARG N N 15 116.067 0.005 A 13 GLY H H 1 8.795 0.002 A 13 GLY HA2 H 1 4.163 0.004 A 13 GLY HA3 H 1 3.804 0.001 A 13 GLY C C 13 173.169 0.000 A 13 GLY CA C 13 44.304 0.039 A 13 GLY N N 15 109.951 0.011 A 14 VAL H H 1 7.266 0.001 A 14 VAL HA H 1 4.044 0.001 A 14 VAL HB H 1 2.027 0.001 A 14 VAL HG1% H 1 0.881 0.001 A 14 VAL HG2% H 1 0.771 0.003 A 14 VAL C C 13 174.97 0.000 A 14 VAL CA C 13 61.231 0.039 A 14 VAL CB C 13 33.838 0.058 A 14 VAL CG1 C 13 21.627 0.029 A 14 VAL CG2 C 13 19.573 0.024 A 14 VAL N N 15 113.644 0.020 A 15 ASP H H 1 8.223 0.002 A 15 ASP HA H 1 4.231 0.001 A 15 ASP HB2 H 1 2.604 0.003 A 15 ASP HB3 H 1 2.299 0.001 A 15 ASP C C 13 176.279 0.000 A 15 ASP CA C 13 55.023 0.054 A 15 ASP CB C 13 39.947 0.060 A 15 ASP N N 15 119.913 0.010 A 16 GLY H H 1 8.617 0.002 A 16 GLY HA2 H 1 3.487 0.001 A 16 GLY HA3 H 1 2.61 0.002 A 16 GLY C C 13 173.12 0.000 A 16 GLY CA C 13 46.096 0.039 A 16 GLY N N 15 109.534 0.024 A 17 LYS H H 1 7.318 0.001 A 17 LYS HA H 1 3.645 0.001 A 17 LYS HBx H 1 1.049 0.003 A 17 LYS HBy H 1 1.049 0.003 A 17 LYS HDx H 1 1.262 0.003 A 17 LYS HDy H 1 1.262 0.003 A 17 LYS HEx H 1 2.667 0.005 A 17 LYS HEy H 1 2.667 0.005 A 17 LYS HG2 H 1 0.617 0.005 A 17 LYS HG3 H 1 0.31 0.003 A 17 LYS C C 13 175.029 0.000 A 17 LYS CA C 13 57.511 0.016 A 17 LYS CB C 13 33.144 0.057 A 17 LYS CD C 13 29.154 0.056 A 17 LYS CE C 13 41.764 0.025 A 17 LYS CG C 13 23.445 0.047 A 17 LYS N N 15 121.534 0.008 A 18 TYR H H 1 7.661 0.003 A 18 TYR HA H 1 4.452 0.003 A 18 TYR HB2 H 1 2.23 0.003 A 18 TYR HB3 H 1 0.714 0.002 A 18 TYR HDx H 1 6.629 0.004 A 18 TYR HEx H 1 6.547 0.000 A 18 TYR C C 13 174.241 0.000 A 18 TYR CA C 13 55.548 0.054 A 18 TYR CB C 13 38.496 0.074 A 18 TYR CD1 C 13 133.352 0.007 A 18 TYR CE1 C 13 117.472 0.000 A 18 TYR N N 15 119.391 0.012 A 19 LYS H H 1 8.395 0.001 A 19 LYS HA H 1 4.941 0.005 A 19 LYS HB2 H 1 1.525 0.004 A 19 LYS HB3 H 1 1.288 0.003 A 19 LYS HDx H 1 1.479 0.002 A 19 LYS HDy H 1 1.479 0.002 A 19 LYS HEx H 1 2.837 0.003 A 19 LYS HEy H 1 2.837 0.003 A 19 LYS HG2 H 1 1.077 0.011 A 19 LYS HG3 H 1 0.97 0.010 A 19 LYS C C 13 176.321 0.000 A 19 LYS CA C 13 54.564 0.052 A 19 LYS CB C 13 36.018 0.057 A 19 LYS CD C 13 29.585 0.064 A 19 LYS CE C 13 41.925 0.033 A 19 LYS CG C 13 24.678 0.021 A 19 LYS N N 15 120.14 0.017 A 20 CYS H H 1 9.391 0.002 A 20 CYS HA H 1 4.931 0.004 A 20 CYS HB2 H 1 3.422 0.001 A 20 CYS HB3 H 1 2.863 0.003 A 20 CYS C C 13 176.321 0.000 A 20 CYS CA C 13 57.292 0.022 A 20 CYS CB C 13 30.866 0.053 A 20 CYS N N 15 131.127 0.016 A 21 PRO HA H 1 4.4 0.001 A 21 PRO HB2 H 1 2.303 0.005 A 21 PRO HB3 H 1 1.963 0.006 A 21 PRO HD2 H 1 4.201 0.002 A 21 PRO HD3 H 1 4.388 0.003 A 21 PRO HG2 H 1 2.077 0.007 A 21 PRO HG3 H 1 1.999 0.002 A 21 PRO C C 13 176.764 0.000 A 21 PRO CA C 13 64.435 0.027 A 21 PRO CB C 13 32.325 0.049 A 21 PRO CD C 13 51.791 0.030 A 21 PRO CG C 13 27.039 0.017 A 22 LYS H H 1 8.55 0.004 A 22 LYS HA H 1 4.198 0.002 A 22 LYS HBx H 1 1.256 0.004 A 22 LYS HBy H 1 1.256 0.004 A 22 LYS HDx H 1 1.233 0.004 A 22 LYS HDy H 1 1.233 0.004 A 22 LYS HEx H 1 2.686 0.002 A 22 LYS HEy H 1 2.686 0.002 A 22 LYS HG2 H 1 1.06 0.007 A 22 LYS HG3 H 1 0.949 0.004 A 22 LYS C C 13 176.798 0.000 A 22 LYS CA C 13 57.627 0.034 A 22 LYS CB C 13 33.262 0.016 A 22 LYS CD C 13 28.326 0.038 A 22 LYS CE C 13 41.965 0.001 A 22 LYS CG C 13 24.767 0.041 A 22 LYS N N 15 120.217 0.026 A 23 CYS H H 1 7.886 0.004 A 23 CYS HA H 1 4.987 0.001 A 23 CYS HB2 H 1 3.347 0.002 A 23 CYS HB3 H 1 2.642 0.004 A 23 CYS C C 13 176.434 0.000 A 23 CYS CA C 13 58.155 0.032 A 23 CYS CB C 13 32.482 0.068 A 23 CYS N N 15 115.45 0.007 A 24 GLY H H 1 7.958 0.001 A 24 GLY HA2 H 1 4.146 0.001 A 24 GLY HA3 H 1 3.703 0.003 A 24 GLY C C 13 173.369 0.000 A 24 GLY CA C 13 46.152 0.029 A 24 GLY N N 15 112.961 0.022 A 25 VAL H H 1 8.348 0.002 A 25 VAL HA H 1 3.979 0.001 A 25 VAL HB H 1 2.212 0.001 A 25 VAL HG1% H 1 0.444 0.001 A 25 VAL HG2% H 1 1.05 0.001 A 25 VAL C C 13 173.934 0.000 A 25 VAL CA C 13 63.136 0.019 A 25 VAL CB C 13 31.959 0.033 A 25 VAL CG1 C 13 20.921 0.034 A 25 VAL CG2 C 13 22.698 0.016 A 25 VAL N N 15 123.968 0.006 A 26 ARG H H 1 8.379 0.003 A 26 ARG HA H 1 5.26 0.003 A 26 ARG HB2 H 1 1.768 0.003 A 26 ARG HB3 H 1 1.635 0.011 A 26 ARG HD2 H 1 3.074 0.003 A 26 ARG HD3 H 1 2.912 0.004 A 26 ARG HG2 H 1 1.579 0.006 A 26 ARG HG3 H 1 1.489 0.004 A 26 ARG C C 13 177.008 0.000 A 26 ARG CA C 13 53.328 0.035 A 26 ARG CB C 13 29.323 0.076 A 26 ARG CD C 13 41.726 0.037 A 26 ARG CG C 13 27.413 0.033 A 26 ARG N N 15 125.641 0.016 A 27 TYR H H 1 8.631 0.004 A 27 TYR HA H 1 6.693 0.006 A 27 TYR HB2 H 1 2.706 0.003 A 27 TYR HB3 H 1 2.579 0.005 A 27 TYR HDx H 1 6.945 0.007 A 27 TYR HEx H 1 6.019 0.001 A 27 TYR C C 13 175.404 0.000 A 27 TYR CA C 13 55.476 0.026 A 27 TYR CB C 13 41.903 0.063 A 27 TYR CD1 C 13 133.651 0.000 A 27 TYR CE1 C 13 118.274 0.000 A 27 TYR N N 15 117.706 0.021 A 28 CYS H H 1 8.817 0.002 A 28 CYS HA H 1 4.905 0.001 A 28 CYS HB2 H 1 3.113 0.003 A 28 CYS HB3 H 1 2.548 0.005 A 28 CYS C C 13 176.186 0.000 A 28 CYS CA C 13 58.614 0.055 A 28 CYS CB C 13 34.827 0.069 A 28 CYS N N 15 118.515 0.011 A 29 SER H H 1 7.4 0.001 A 29 SER HA H 1 4.877 0.004 A 29 SER HB2 H 1 4.25 0.004 A 29 SER HB3 H 1 4.092 0.004 A 29 SER C C 13 178.077 0.000 A 29 SER CA C 13 57.26 0.034 A 29 SER CB C 13 65.051 0.017 A 29 SER N N 15 114.067 0.008 A 30 LEU H H 1 6.951 0.000 A 30 LEU HA H 1 4.039 0.003 A 30 LEU HB2 H 1 1.595 0.002 A 30 LEU HB3 H 1 1.507 0.006 A 30 LEU HD1% H 1 0.775 0.005 A 30 LEU HD2% H 1 0.678 0.004 A 30 LEU HG H 1 1.541 0.003 A 30 LEU C C 13 178.077 0.000 A 30 LEU CA C 13 57.451 0.034 A 30 LEU CB C 13 41.229 0.032 A 30 LEU CD1 C 13 24.018 0.024 A 30 LEU CD2 C 13 23.858 0.012 A 30 LEU CG C 13 27 0.028 A 31 LYS H H 1 8.03 0.001 A 31 LYS HA H 1 3.79 0.001 A 31 LYS HBx H 1 1.758 0.007 A 31 LYS HBy H 1 1.758 0.007 A 31 LYS HDx H 1 1.57 0.006 A 31 LYS HDy H 1 1.57 0.006 A 31 LYS HEx H 1 2.872 0.004 A 31 LYS HEy H 1 2.872 0.004 A 31 LYS HG2 H 1 1.352 0.005 A 31 LYS HG3 H 1 1.257 0.003 A 31 LYS C C 13 179.162 0.000 A 31 LYS CA C 13 59.867 0.045 A 31 LYS CB C 13 31.907 0.047 A 31 LYS CD C 13 29.242 0.004 A 31 LYS CE C 13 42.187 0.003 A 31 LYS CG C 13 24.483 0.028 A 31 LYS N N 15 118.534 0.026 A 32 CYS H H 1 7.424 0.003 A 32 CYS HA H 1 3.985 0.001 A 32 CYS HB2 H 1 2.908 0.007 A 32 CYS HB3 H 1 2.699 0.005 A 32 CYS C C 13 176.766 0.000 A 32 CYS CA C 13 65.679 0.045 A 32 CYS CB C 13 29.549 0.067 A 32 CYS N N 15 118.7 0.012 A 33 TYR H H 1 7.918 0.003 A 33 TYR HA H 1 3.11 0.004 A 33 TYR HB2 H 1 2.834 0.003 A 33 TYR HB3 H 1 2.425 0.001 A 33 TYR HDx H 1 6.015 0.003 A 33 TYR HEx H 1 6.781 0.005 A 33 TYR C C 13 178.549 0.000 A 33 TYR CA C 13 61.187 0.039 A 33 TYR CB C 13 38.846 0.056 A 33 TYR CD1 C 13 132.737 0.032 A 33 TYR CE1 C 13 115.714 0.000 A 33 TYR N N 15 118.151 0.007 A 34 LYS H H 1 7.939 0.002 A 34 LYS HA H 1 3.922 0.002 A 34 LYS HB2 H 1 1.97 0.002 A 34 LYS HB3 H 1 1.642 0.003 A 34 LYS HDx H 1 1.547 0.002 A 34 LYS HDy H 1 1.547 0.002 A 34 LYS HEx H 1 2.845 0.002 A 34 LYS HEy H 1 2.845 0.002 A 34 LYS HG2 H 1 1.583 0.009 A 34 LYS HG3 H 1 1.388 0.003 A 34 LYS C C 13 174.991 0.000 A 34 LYS CA C 13 55.951 0.034 A 34 LYS CB C 13 32.145 0.059 A 34 LYS CD C 13 29.069 0.001 A 34 LYS CE C 13 41.913 0.000 A 34 LYS CG C 13 25.527 0.046 A 34 LYS N N 15 114.631 0.014 A 35 ASP H H 1 7.115 0.002 A 35 ASP HA H 1 4.294 0.002 A 35 ASP HB2 H 1 2.956 0.001 A 35 ASP HB3 H 1 2.512 0.001 A 35 ASP C C 13 175.48 0.000 A 35 ASP CA C 13 54.339 0.034 A 35 ASP CB C 13 40.361 0.023 A 35 ASP N N 15 121.194 0.013 A 36 ALA H H 1 8.073 0.001 A 36 ALA HA H 1 3.887 0.001 A 36 ALA HB% H 1 1.238 0.001 A 36 ALA C C 13 177.717 0.000 A 36 ALA CA C 13 53.526 0.035 A 36 ALA CB C 13 18.711 0.055 A 36 ALA N N 15 130.311 0.016 A 37 ALA H H 1 7.839 0.001 A 37 ALA HA H 1 4.086 0.001 A 37 ALA HB% H 1 1.28 0.002 A 37 ALA C C 13 178.989 0.000 A 37 ALA CA C 13 53.211 0.049 A 37 ALA CB C 13 19.147 0.089 A 37 ALA N N 15 117.133 0.004 A 38 LYS H H 1 7.292 0.004 A 38 LYS HA H 1 4.295 0.002 A 38 LYS HB2 H 1 1.811 0.002 A 38 LYS HB3 H 1 1.298 0.003 A 38 LYS HD2 H 1 1.556 0.005 A 38 LYS HD3 H 1 1.5 0.007 A 38 LYS HEx H 1 2.841 0.002 A 38 LYS HEy H 1 2.841 0.002 A 38 LYS HG2 H 1 1.281 0.004 A 38 LYS HG3 H 1 1.165 0.004 A 38 LYS C C 13 175.69 0.000 A 38 LYS CA C 13 56.203 0.026 A 38 LYS CB C 13 36.148 0.067 A 38 LYS CD C 13 29.068 0.022 A 38 LYS CE C 13 42.179 0.000 A 38 LYS CG C 13 25.528 0.035 A 38 LYS N N 15 114.127 0.015 A 39 HIS H H 1 8.393 0.003 A 39 HIS HA H 1 4.763 0.003 A 39 HIS HB2 H 1 2.997 0.008 A 39 HIS HB3 H 1 2.344 0.004 A 39 HIS HD2 H 1 6.566 0.006 A 39 HIS HE1 H 1 7.119 0.003 A 39 HIS C C 13 171.783 0.000 A 39 HIS CA C 13 52.635 0.077 A 39 HIS CB C 13 27.629 0.068 A 39 HIS CD2 C 13 123.913 0.029 A 39 HIS CE1 C 13 138.082 0.008 A 39 HIS N N 15 122.11 0.029 A 39 HIS ND1 N 15 171.279 0.026 A 39 HIS NE2 N 15 215.575 0.020 A 40 VAL H H 1 7.811 0.006 A 40 VAL HA H 1 3.747 0.003 A 40 VAL HB H 1 1.706 0.002 A 40 VAL HG1% H 1 0.622 0.008 A 40 VAL HG2% H 1 0.579 0.003 A 40 VAL C C 13 175.292 0.000 A 40 VAL CA C 13 61.164 0.057 A 40 VAL CB C 13 34.132 0.053 A 40 VAL CG1 C 13 21.033 0.062 A 40 VAL CG2 C 13 20.496 0.037 A 40 VAL N N 15 123.393 0.014 A 41 HIS H H 1 8.512 0.002 A 41 HIS HA H 1 4.878 0.003 A 41 HIS HB2 H 1 2.884 0.005 A 41 HIS HB3 H 1 2.731 0.004 A 41 HIS HD2 H 1 6.613 0.002 A 41 HIS HE1 H 1 7.385 0.002 A 41 HIS C C 13 174.64 0.000 A 41 HIS CA C 13 52.9 0.057 A 41 HIS CB C 13 30.067 0.067 A 41 HIS CD2 C 13 124.926 0.000 A 41 HIS CE1 C 13 138.536 0.028 A 41 HIS N N 15 125.669 0.015 A 41 HIS ND1 N 15 173.269 0.080 A 41 HIS NE2 N 15 211.535 0.002 A 42 LYS H H 1 8.668 0.001 A 42 LYS C C 13 176.739 0.000 A 42 LYS CA C 13 56.32 0.034 A 42 LYS CB C 13 33.229 0.000 A 42 LYS N N 15 123.564 0.021 A 43 GLU H H 1 8.59 0.001 A 43 GLU HA H 1 4.11 0.005 A 43 GLU HB2 H 1 1.922 0.004 A 43 GLU HB3 H 1 1.797 0.003 A 43 GLU HGx H 1 2.133 0.003 A 43 GLU HGy H 1 2.133 0.003 A 43 GLU C C 13 176.569 0.000 A 43 GLU CA C 13 57.097 0.024 A 43 GLU CB C 13 29.948 0.036 A 43 GLU CG C 13 36.107 0.016 A 43 GLU N N 15 122.633 0.041 A 44 SER H H 1 8.105 0.001 A 44 SER HA H 1 4.268 0.004 A 44 SER C C 13 174.336 0.000 A 44 SER CA C 13 58.348 0.095 A 44 SER CB C 13 63.724 0.000 A 44 SER N N 15 115.147 0.004 A 45 GLU H H 1 8.183 0.002 A 45 GLU HA H 1 4.163 0.001 A 45 GLU HB2 H 1 1.89 0.005 A 45 GLU HB3 H 1 1.779 0.003 A 45 GLU HGx H 1 2.097 0.003 A 45 GLU HGy H 1 2.097 0.003 A 45 GLU C C 13 175.304 0.000 A 45 GLU CA C 13 56.412 0.048 A 45 GLU CB C 13 30.13 0.059 A 45 GLU CG C 13 36.259 0.061 A 45 GLU N N 15 122.849 0.016 A 46 GLN H H 1 7.691 0.003 A 46 GLN HE21 H 1 7.332 0.004 A 46 GLN HE22 H 1 6.661 0.000 A 46 GLN C C 13 175.304 0.000 A 46 GLN CA C 13 57.347 0.000 A 46 GLN N N 15 125.043 0.025 A 46 GLN NE2 N 15 112.302 0.016 stop_ save_ save_assigned_chem_shift_list_2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_2 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A -1 PRO HA H 1 4.453 0.003 A -1 PRO HB2 H 1 2.257 0.007 A -1 PRO HB3 H 1 1.854 0.002 A -1 PRO HDx H 1 3.562 0.000 A -1 PRO HDy H 1 3.562 0.000 A -1 PRO HG2 H 1 1.996 0.003 A -1 PRO HG3 H 1 1.926 0.005 A -1 PRO CA C 13 63.153 0.013 A -1 PRO CB C 13 32.312 0.029 A -1 PRO CD C 13 49.677 0.002 A -1 PRO CG C 13 26.904 0.034 A 1 MET HA H 1 4.142 0.001 A 1 MET HBx H 1 2.298 0.001 A 1 MET HBy H 1 2.298 0.001 A 1 MET HE% H 1 2.084 0.001 A 1 MET CA C 13 57.47 0.018 A 1 MET CB C 13 34.341 0.018 A 1 MET CE C 13 17.041 0.024 A 2 VAL CA C 13 55.353 0.000 A 2 VAL CB C 13 33.283 0.000 A 3 SER H H 1 8.133 0.000 A 3 SER HA H 1 4.475 0.000 A 3 SER CA C 13 62.447 0.000 A 3 SER N N 15 121.661 0.000 A 5 ALA H H 1 8.191 0.000 A 5 ALA HA H 1 4.333 0.002 A 5 ALA HB% H 1 1.347 0.001 A 5 ALA CA C 13 52.574 0.008 A 5 ALA CB C 13 19.33 0.013 A 5 ALA N N 15 125.911 0.000 A 6 VAL H H 1 7.916 0.001 A 6 VAL HA H 1 4.121 0.006 A 6 VAL HB H 1 1.982 0.006 A 6 VAL HG1% H 1 0.896 0.003 A 6 VAL HG2% H 1 0.879 0.002 A 6 VAL CA C 13 61.76 0.027 A 6 VAL CB C 13 32.998 0.082 A 6 VAL CG1 C 13 21.473 0.014 A 6 VAL CG2 C 13 20.402 0.063 A 6 VAL N N 15 118.597 0.029 A 7 LYS H H 1 8.08 0.007 A 7 LYS HA H 1 4.314 0.003 A 7 LYS HB2 H 1 1.657 0.003 A 7 LYS HB3 H 1 1.512 0.004 A 7 LYS HDx H 1 1.406 0.011 A 7 LYS HDy H 1 1.406 0.011 A 7 LYS HGx H 1 1.308 0.005 A 7 LYS HGy H 1 1.308 0.005 A 7 LYS CA C 13 55.424 0.032 A 7 LYS CB C 13 33.725 0.021 A 7 LYS CD C 13 33.279 0.000 A 7 LYS CG C 13 25.165 0.054 A 7 LYS N N 15 123.783 0.011 A 8 CYS H H 1 8.622 0.001 A 8 CYS HA H 1 3.792 0.002 A 8 CYS HB2 H 1 3.318 0.002 A 8 CYS HB3 H 1 2.585 0.002 A 8 CYS CA C 13 59.956 0.016 A 8 CYS CB C 13 31.153 0.012 A 8 CYS N N 15 121.553 0.005 A 9 GLY H H 1 9.457 0.002 A 9 GLY HA2 H 1 4.157 0.002 A 9 GLY HA3 H 1 3.785 0.003 A 9 GLY CA C 13 46.357 0.000 A 9 GLY N N 15 118.658 0.007 A 10 ILE H H 1 9.113 0.002 A 10 ILE HA H 1 4.141 0.004 A 10 ILE HB H 1 2.218 0.002 A 10 ILE HD1% H 1 0.502 0.003 A 10 ILE HG1x H 1 1.323 0.002 A 10 ILE HG1y H 1 1.323 0.002 A 10 ILE HG2% H 1 1.063 0.001 A 10 ILE CA C 13 63.246 0.077 A 10 ILE CB C 13 38.091 0.022 A 10 ILE CD1 C 13 12.063 0.022 A 10 ILE CG1 C 13 27.737 0.019 A 10 ILE CG2 C 13 18.483 0.012 A 10 ILE N N 15 123.066 0.004 A 11 CYS H H 1 8.591 0.002 A 11 CYS HA H 1 4.79 0.002 A 11 CYS HB2 H 1 3.177 0.002 A 11 CYS HB3 H 1 2.999 0.003 A 11 CYS CA C 13 59.283 0.039 A 11 CYS CB C 13 32.072 0.015 A 11 CYS N N 15 118.474 0.003 A 12 ARG H H 1 7.42 0.002 A 12 ARG HA H 1 4.363 0.002 A 12 ARG HB2 H 1 2.057 0.005 A 12 ARG HB3 H 1 2.194 0.001 A 12 ARG HDx H 1 3.19 0.005 A 12 ARG HDy H 1 3.19 0.005 A 12 ARG HGx H 1 1.531 0.003 A 12 ARG HGy H 1 1.531 0.003 A 12 ARG CA C 13 58.04 0.000 A 12 ARG CB C 13 27.389 0.031 A 12 ARG CD C 13 43.292 0.029 A 12 ARG CG C 13 27.584 0.064 A 12 ARG N N 15 116.377 0.009 A 13 GLY H H 1 8.87 0.002 A 13 GLY HA2 H 1 4.335 0.003 A 13 GLY HA3 H 1 3.935 0.002 A 13 GLY CA C 13 44.727 0.014 A 13 GLY N N 15 109.566 0.003 A 14 VAL H H 1 7.31 0.001 A 14 VAL HA H 1 4.237 0.002 A 14 VAL HB H 1 2.179 0.002 A 14 VAL HG1% H 1 1.045 0.002 A 14 VAL HG2% H 1 0.935 0.002 A 14 VAL CA C 13 61.231 0.019 A 14 VAL CB C 13 34.227 0.028 A 14 VAL CG1 C 13 21.849 0.031 A 14 VAL CG2 C 13 20.244 0.000 A 14 VAL N N 15 114.553 0.005 A 15 ASP H H 1 8.288 0.003 A 15 ASP HA H 1 4.403 0.002 A 15 ASP HB2 H 1 2.701 0.002 A 15 ASP HB3 H 1 2.461 0.002 A 15 ASP CA C 13 55.283 0.014 A 15 ASP CB C 13 40.31 0.007 A 15 ASP N N 15 120.828 0.001 A 16 GLY H H 1 8.734 0.002 A 16 GLY HA2 H 1 3.659 0.001 A 16 GLY HA3 H 1 2.783 0.003 A 16 GLY CA C 13 46.176 0.017 A 16 GLY N N 15 109.526 0.006 A 17 LYS H H 1 7.403 0.002 A 17 LYS HA H 1 3.823 0.003 A 17 LYS HBx H 1 1.186 0.005 A 17 LYS HBy H 1 1.186 0.005 A 17 LYS HDx H 1 1.433 0.004 A 17 LYS HDy H 1 1.433 0.004 A 17 LYS HEx H 1 2.84 0.005 A 17 LYS HEy H 1 2.84 0.005 A 17 LYS HG2 H 1 0.804 0.005 A 17 LYS HG3 H 1 0.584 0.003 A 17 LYS CA C 13 57.749 0.030 A 17 LYS CB C 13 33.406 0.011 A 17 LYS CD C 13 29.238 0.019 A 17 LYS CE C 13 42.026 0.022 A 17 LYS CG C 13 23.832 0.027 A 17 LYS N N 15 121.934 0.011 A 18 TYR H H 1 7.755 0.001 A 18 TYR HA H 1 4.608 0.004 A 18 TYR HB2 H 1 2.406 0.002 A 18 TYR HB3 H 1 0.911 0.002 A 18 TYR HDx H 1 6.783 0.003 A 18 TYR HEx H 1 6.711 0.000 A 18 TYR CB C 13 38.801 0.021 A 18 TYR CD1 C 13 133.51 0.000 A 18 TYR CE1 C 13 117.691 0.000 A 18 TYR N N 15 119.08 0.007 A 19 LYS H H 1 8.453 0.001 A 19 LYS HA H 1 5.091 0.002 A 19 LYS HB2 H 1 1.673 0.003 A 19 LYS HB3 H 1 1.449 0.003 A 19 LYS HDx H 1 1.634 0.000 A 19 LYS HDy H 1 1.634 0.000 A 19 LYS HEx H 1 2.999 0.001 A 19 LYS HEy H 1 2.999 0.001 A 19 LYS HG2 H 1 1.231 0.009 A 19 LYS HG3 H 1 1.131 0.010 A 19 LYS CA C 13 54.701 0.025 A 19 LYS CB C 13 36.085 0.047 A 19 LYS CD C 13 29.747 0.076 A 19 LYS CE C 13 42.133 0.003 A 19 LYS CG C 13 24.793 0.024 A 19 LYS N N 15 120.09 0.015 A 20 CYS H H 1 9.486 0.003 A 20 CYS HA H 1 5.082 0.000 A 20 CYS HB2 H 1 3.58 0.002 A 20 CYS HB3 H 1 3.021 0.002 A 20 CYS CA C 13 57.419 0.011 A 20 CYS CB C 13 31.04 0.042 A 20 CYS N N 15 130.879 0.003 A 21 PRO HA H 1 4.55 0.007 A 21 PRO HB2 H 1 2.458 0.002 A 21 PRO HB3 H 1 2.112 0.006 A 21 PRO HD2 H 1 4.359 0.002 A 21 PRO HD3 H 1 4.52 0.004 A 21 PRO HG2 H 1 2.236 0.003 A 21 PRO HG3 H 1 2.153 0.004 A 21 PRO CA C 13 64.563 0.045 A 21 PRO CB C 13 32.463 0.026 A 21 PRO CD C 13 51.902 0.038 A 21 PRO CG C 13 27.247 0.020 A 22 LYS H H 1 8.675 0.001 A 22 LYS HA H 1 4.352 0.005 A 22 LYS HBx H 1 1.401 0.001 A 22 LYS HBy H 1 1.401 0.001 A 22 LYS HDx H 1 1.387 0.004 A 22 LYS HDy H 1 1.387 0.004 A 22 LYS HG2 H 1 1.217 0.011 A 22 LYS HG3 H 1 1.107 0.003 A 22 LYS CA C 13 57.773 0.040 A 22 LYS CB C 13 33.292 0.000 A 22 LYS CD C 13 28.501 0.042 A 22 LYS CG C 13 24.944 0.070 A 22 LYS N N 15 120.173 0.006 A 23 CYS H H 1 8.022 0.003 A 23 CYS HA H 1 5.135 0.001 A 23 CYS HB2 H 1 3.505 0.003 A 23 CYS HB3 H 1 2.814 0.003 A 23 CYS CA C 13 58.343 0.008 A 23 CYS CB C 13 32.61 0.012 A 23 CYS N N 15 115.641 0.037 A 24 GLY H H 1 8.109 0.001 A 24 GLY HA2 H 1 4.3 0.002 A 24 GLY HA3 H 1 3.854 0.002 A 24 GLY CA C 13 46.331 0.000 A 24 GLY N N 15 112.972 0.006 A 25 VAL H H 1 8.445 0.002 A 25 VAL HA H 1 4.139 0.002 A 25 VAL HB H 1 2.351 0.001 A 25 VAL HG1% H 1 0.618 0.001 A 25 VAL HG2% H 1 1.197 0.002 A 25 VAL CA C 13 63.247 0.045 A 25 VAL CB C 13 32.154 0.025 A 25 VAL CG1 C 13 21.087 0.012 A 25 VAL CG2 C 13 22.865 0.011 A 25 VAL N N 15 123.826 0.007 A 26 ARG H H 1 8.456 0.002 A 26 ARG HA H 1 5.399 0.002 A 26 ARG HB2 H 1 1.904 0.001 A 26 ARG HB3 H 1 1.738 0.000 A 26 ARG HD2 H 1 3.204 0.005 A 26 ARG HD3 H 1 3.082 0.003 A 26 ARG HG2 H 1 1.732 0.002 A 26 ARG HG3 H 1 1.618 0.006 A 26 ARG CA C 13 53.748 0.018 A 26 ARG CB C 13 29.648 0.006 A 26 ARG CD C 13 42.187 0.032 A 26 ARG CG C 13 27.664 0.042 A 26 ARG N N 15 125.648 0.010 A 27 TYR H H 1 8.777 0.002 A 27 TYR HA H 1 6.825 0.002 A 27 TYR HB2 H 1 2.865 0.004 A 27 TYR HB3 H 1 2.738 0.002 A 27 TYR HDx H 1 7.099 0.002 A 27 TYR HEx H 1 6.177 0.005 A 27 TYR CA C 13 55.63 0.003 A 27 TYR CB C 13 42.038 0.030 A 27 TYR CD1 C 13 133.997 0.000 A 27 TYR CE1 C 13 118.415 0.000 A 27 TYR N N 15 117.861 0.011 A 28 CYS H H 1 8.98 0.003 A 28 CYS HA H 1 5.016 0.001 A 28 CYS HB2 H 1 3.25 0.002 A 28 CYS HB3 H 1 2.723 0.004 A 28 CYS CA C 13 58.854 0.017 A 28 CYS CB C 13 34.903 0.000 A 28 CYS N N 15 118.826 0.004 A 29 SER H H 1 7.553 0.000 A 29 SER HA H 1 5.028 0.004 A 29 SER HB2 H 1 4.404 0.003 A 29 SER HB3 H 1 4.244 0.003 A 29 SER CA C 13 57.442 0.018 A 29 SER CB C 13 65.234 0.056 A 29 SER N N 15 114.256 0.008 A 30 LEU HA H 1 4.189 0.007 A 30 LEU HB2 H 1 1.755 0.007 A 30 LEU HB3 H 1 1.665 0.005 A 30 LEU HD1% H 1 0.93 0.007 A 30 LEU HD2% H 1 0.83 0.006 A 30 LEU HG H 1 1.695 0.010 A 30 LEU CA C 13 57.598 0.020 A 30 LEU CB C 13 41.382 0.027 A 30 LEU CD1 C 13 24.228 0.031 A 30 LEU CD2 C 13 24.035 0.039 A 30 LEU CG C 13 27.183 0.000 A 31 LYS H H 1 8.073 0.001 A 31 LYS HA H 1 3.948 0.004 A 31 LYS HBx H 1 1.911 0.011 A 31 LYS HBy H 1 1.911 0.011 A 31 LYS HDx H 1 1.709 0.000 A 31 LYS HDy H 1 1.709 0.000 A 31 LYS HEx H 1 3.036 0.002 A 31 LYS HEy H 1 3.036 0.002 A 31 LYS HG2 H 1 1.514 0.007 A 31 LYS HG3 H 1 1.423 0.009 A 31 LYS CA C 13 59.967 0.004 A 31 LYS CB C 13 32.042 0.020 A 31 LYS CE C 13 42.416 0.000 A 31 LYS CG C 13 24.641 0.045 A 31 LYS N N 15 118.571 0.001 A 32 CYS H H 1 7.521 0.004 A 32 CYS HA H 1 4.151 0.001 A 32 CYS HB2 H 1 3.061 0.004 A 32 CYS HB3 H 1 2.865 0.005 A 32 CYS CA C 13 65.71 0.014 A 32 CYS CB C 13 29.862 0.038 A 32 CYS N N 15 118.879 0.003 A 33 TYR H H 1 8.033 0.001 A 33 TYR HA H 1 3.278 0.003 A 33 TYR HB2 H 1 2.971 0.003 A 33 TYR HB3 H 1 2.561 0.001 A 33 TYR HDx H 1 6.176 0.003 A 33 TYR HEx H 1 6.932 0.006 A 33 TYR CA C 13 61.297 0.004 A 33 TYR CB C 13 39.012 0.023 A 33 TYR CD1 C 13 132.928 0.000 A 33 TYR CE1 C 13 118.536 0.000 A 33 TYR N N 15 118.172 0.011 A 34 LYS H H 1 8.047 0.003 A 34 LYS HA H 1 4.091 0.002 A 34 LYS HB2 H 1 2.119 0.005 A 34 LYS HB3 H 1 1.809 0.005 A 34 LYS HDx H 1 1.721 0.000 A 34 LYS HDy H 1 1.721 0.000 A 34 LYS HG2 H 1 1.724 0.005 A 34 LYS HG3 H 1 1.542 0.003 A 34 LYS CA C 13 56.06 0.009 A 34 LYS CB C 13 32.264 0.085 A 34 LYS CD C 13 29.276 0.000 A 34 LYS CG C 13 25.633 0.025 A 34 LYS N N 15 114.685 0.006 A 35 ASP H H 1 7.253 0.001 A 35 ASP HA H 1 4.455 0.002 A 35 ASP HB2 H 1 3.093 0.003 A 35 ASP HB3 H 1 2.669 0.003 A 35 ASP CA C 13 54.627 0.014 A 35 ASP CB C 13 40.643 0.020 A 35 ASP N N 15 121.317 0.004 A 36 ALA H H 1 8.127 0.002 A 36 ALA HA H 1 4.05 0.001 A 36 ALA HB% H 1 1.395 0.001 A 36 ALA CA C 13 53.62 0.019 A 36 ALA CB C 13 18.908 0.022 A 36 ALA N N 15 130.374 0.024 A 37 ALA H H 1 7.972 0.001 A 37 ALA HA H 1 4.249 0.001 A 37 ALA HB% H 1 1.435 0.001 A 37 ALA CA C 13 53.327 0.023 A 37 ALA CB C 13 19.336 0.008 A 37 ALA N N 15 117.342 0.002 A 38 LYS H H 1 7.459 0.002 A 38 LYS HA H 1 4.455 0.003 A 38 LYS HB2 H 1 1.963 0.005 A 38 LYS HB3 H 1 1.467 0.002 A 38 LYS HD2 H 1 1.724 0.000 A 38 LYS HD3 H 1 1.645 0.000 A 38 LYS HG2 H 1 1.436 0.007 A 38 LYS HG3 H 1 1.329 0.004 A 38 LYS CA C 13 56.371 0.012 A 38 LYS CB C 13 36.257 0.018 A 38 LYS CD C 13 29.27 0.006 A 38 LYS CG C 13 25.599 0.042 A 38 LYS N N 15 114.215 0.007 A 39 HIS H H 1 8.496 0.002 A 39 HIS HA H 1 4.905 0.003 A 39 HIS HB2 H 1 3.151 0.003 A 39 HIS HB3 H 1 2.504 0.004 A 39 HIS HD2 H 1 6.727 0.001 A 39 HIS HE1 H 1 7.267 0.001 A 39 HIS CA C 13 52.909 0.029 A 39 HIS CB C 13 27.827 0.030 A 39 HIS CD2 C 13 124.262 0.000 A 39 HIS CE1 C 13 138.174 0.000 A 39 HIS N N 15 122.071 0.013 A 39 HIS ND1 N 15 171.518 0.038 A 39 HIS NE2 N 15 215.996 0.011 A 40 VAL H H 1 7.86 0.003 A 40 VAL HA H 1 3.906 0.003 A 40 VAL HB H 1 1.863 0.002 A 40 VAL HG1% H 1 0.779 0.008 A 40 VAL HG2% H 1 0.739 0.002 A 40 VAL CA C 13 61.295 0.010 A 40 VAL CB C 13 34.259 0.025 A 40 VAL CG1 C 13 21.137 0.027 A 40 VAL CG2 C 13 20.663 0.017 A 40 VAL N N 15 123.322 0.012 A 41 HIS HA H 1 5.017 0.004 A 41 HIS HB2 H 1 3.047 0.006 A 41 HIS HB3 H 1 2.896 0.002 A 41 HIS HD2 H 1 6.768 0.001 A 41 HIS HE1 H 1 7.52 0.000 A 41 HIS CA C 13 53.165 0.043 A 41 HIS CB C 13 30.178 0.045 A 41 HIS CD2 C 13 125.045 0.000 A 41 HIS CE1 C 13 138.637 0.000 A 41 HIS ND1 N 15 173.229 0.018 A 41 HIS NE2 N 15 212.139 0.050 A 43 GLU H H 1 8.635 0.000 A 43 GLU HA H 1 4.291 0.004 A 43 GLU HB2 H 1 2.078 0.000 A 43 GLU HB3 H 1 1.946 0.003 A 43 GLU HGx H 1 2.276 0.002 A 43 GLU HGy H 1 2.276 0.002 A 43 GLU CA C 13 57.086 0.070 A 43 GLU CB C 13 30.165 0.002 A 43 GLU CG C 13 36.327 0.015 A 43 GLU N N 15 122.521 0.000 A 44 SER H H 1 8.17 0.000 A 44 SER HA H 1 4.434 0.002 A 44 SER CA C 13 58.392 0.014 A 44 SER N N 15 115.264 0.000 A 45 GLU H H 1 8.291 0.002 A 45 GLU HA H 1 4.323 0.000 A 45 GLU HB2 H 1 2.06 0.000 A 45 GLU HB3 H 1 1.931 0.000 A 45 GLU HGx H 1 2.253 0.001 A 45 GLU HGy H 1 2.253 0.001 A 45 GLU CA C 13 56.612 0.018 A 45 GLU CB C 13 30.346 0.000 A 45 GLU CG C 13 36.384 0.000 A 45 GLU N N 15 122.887 0.023 A 46 GLN H H 1 7.797 0.000 A 46 GLN HE21 H 1 7.422 0.002 A 46 GLN HE22 H 1 6.738 0.000 A 46 GLN N N 15 125.208 0.000 A 46 GLN NE2 N 15 111.966 0.011 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 23 CYS H A 41 HIS HE1 1.0 0.0 5.40 2 2 A 45 GLU H A 46 GLN H 1.0 0.0 4.33 3 3 A 41 HIS HE1 A 39 HIS HE1 1.0 0.0 4.58 4 4 A 39 HIS HE1 A 33 TYR HEx 1.0 0.0 3.24 5 5 A 19 LYS HA A 27 TYR HEx 1.0 0.0 3.41 6 6 A 39 HIS HA A 39 HIS HD2 1.0 0.0 3.18 7 7 A 8 CYS H A 14 VAL HA 1.0 0.0 4.86 8 8 A 7 LYS HA A 16 GLY H 1.0 0.0 3.43 9 9 A 7 LYS HA A 15 ASP H 1.0 0.0 4.62 10 10 A 31 LYS HA A 33 TYR H 1.0 0.0 4.66 11 11 A 23 CYS H A 24 GLY HA2 1.0 0.0 4.40 12 12 A 36 ALA HA A 39 HIS H 1.0 0.0 4.28 13 13 A 18 TYR HA A 18 TYR HEx 1.0 0.0 4.98 14 14 A 27 TYR HEx A 21 PRO HD2 1.0 0.0 5.47 15 15 A 41 HIS HD2 A 23 CYS HB2 1.0 0.0 3.55 16 16 A 33 TYR HEx A 20 CYS HB3 1.0 0.0 5.55 17 17 A 24 GLY H A 23 CYS HB2 1.0 0.0 4.85 18 18 A 9 GLY H A 16 GLY HA3 1.0 0.0 5.23 19 19 A 26 ARG H A 26 ARG HG2 1.0 0.0 4.60 20 20 A 10 ILE H A 25 VAL HG2% 1.0 0.0 5.00 21 21 A 10 ILE HG2% A 11 CYS H 1.0 0.0 3.78 22 22 A 40 VAL H A 40 VAL HG1% 1.0 0.0 4.20 23 23 A 44 SER H A 43 GLU HB2 1.0 0.0 4.70 24 24 A 44 SER H A 43 GLU HB3 1.0 0.0 4.70 25 25 A 6 VAL H A 6 VAL HB 1.0 0.0 3.80 26 26 A 30 LEU HB3 A 31 LYS H 1.0 0.0 4.20 27 27 A 36 ALA HB% A 37 ALA H 1.0 0.0 3.81 28 28 A 5 ALA H A 5 ALA HB% 1.0 0.0 3.79 29 29 A 24 GLY H A 22 LYS HBx 1.0 0.0 4.23 30 29 A 24 GLY H A 22 LYS HBy 1.0 0.0 4.23 31 30 A 6 VAL HG2% A 7 LYS H 1.0 0.0 3.74 32 31 A 7 LYS H A 6 VAL HG1% 1.0 0.0 4.28 33 32 A 26 ARG H A 10 ILE HG1x 1.0 0.0 5.06 34 32 A 26 ARG H A 10 ILE HG1y 1.0 0.0 5.06 35 33 A 18 TYR HEx A 17 LYS HBx 1.0 0.0 4.31 36 33 A 18 TYR HEx A 17 LYS HBy 1.0 0.0 4.31 37 34 A 39 HIS HD2 A 25 VAL HG2% 1.0 0.0 4.62 38 35 A 18 TYR HEx A 17 LYS HG2 1.0 0.0 4.99 39 36 A 39 HIS HD2 A 25 VAL HG1% 1.0 0.0 3.30 40 37 A 39 HIS HD2 A 10 ILE HD1% 1.0 0.0 4.01 41 38 A 18 TYR HEx A 17 LYS HG3 1.0 0.0 4.59 42 39 A 18 TYR HEx A 17 LYS HDx 1.0 0.0 3.96 43 39 A 18 TYR HEx A 17 LYS HDy 1.0 0.0 3.96 44 40 A 18 TYR HDx A 17 LYS HDx 1.0 0.0 4.24 45 40 A 17 LYS HDy A 18 TYR HDx 1.0 0.0 4.24 46 41 A 18 TYR HDx A 18 TYR HB2 1.0 0.0 3.34 47 42 A 17 LYS HG2 A 18 TYR HDx 1.0 0.0 4.28 48 43 A 39 HIS HE1 A 25 VAL HG1% 1.0 0.0 4.32 49 44 A 41 HIS HE1 A 22 LYS HG3 1.0 0.0 4.88 50 45 A 27 TYR HEx A 25 VAL HG1% 1.0 0.0 4.69 51 46 A 10 ILE HD1% A 33 TYR HDx 1.0 0.0 4.79 52 47 A 17 LYS HG3 A 18 TYR HDx 1.0 0.0 4.58 53 48 A 41 HIS HD2 A 25 VAL HG1% 1.0 0.0 5.27 54 49 A 25 VAL HG1% A 27 TYR HA 1.0 0.0 4.94 55 50 A 39 HIS HD2 A 25 VAL HB 1.0 0.0 4.14 56 51 A 27 TYR HEx A 18 TYR HB3 1.0 0.0 4.20 57 52 A 8 CYS HB2 A 14 VAL H 1.0 0.0 4.48 58 53 A 41 HIS HD2 A 23 CYS HB3 1.0 0.0 3.55 59 54 A 18 TYR HEx A 17 LYS HEx 1.0 0.0 4.10 60 54 A 18 TYR HEx A 17 LYS HEy 1.0 0.0 4.10 61 55 A 33 TYR HA A 35 ASP H 1.0 0.0 4.61 62 56 A 11 CYS HB2 A 12 ARG H 1.0 0.0 4.62 63 57 A 27 TYR H A 28 CYS H 1.0 0.0 4.56 64 58 A 8 CYS H A 13 GLY H 1.0 0.0 4.23 65 59 A 8 CYS H A 15 ASP H 1.0 0.0 4.87 66 60 A 24 GLY H A 22 LYS HG2 1.0 0.0 5.92 67 61 A 33 TYR HEx A 34 LYS HG3 1.0 0.0 6.00 68 62 A 33 TYR HDx A 30 LEU HA 1.0 0.0 5.45 69 63 A 30 LEU H A 33 TYR HB2 1.0 0.0 5.18 70 64 A 31 LYS HA A 34 LYS H 1.0 0.0 5.59 71 65 A 19 LYS H A 19 LYS HDx 1.0 0.0 4.94 72 65 A 19 LYS H A 19 LYS HDy 1.0 0.0 4.94 73 66 A 10 ILE HG2% A 35 ASP H 1.0 0.0 5.07 74 67 A 33 TYR HDx A 33 TYR HB2 1.0 0.0 3.67 75 68 A 27 TYR HEx A 27 TYR HB2 1.0 0.0 4.99 76 69 A 33 TYR HDx A 34 LYS HG2 1.0 0.0 4.50 77 70 A 25 VAL HG1% A 33 TYR HDx 1.0 0.0 5.60 78 71 A 40 VAL HA A 40 VAL HG2% 1.0 0.0 3.63 79 72 A 10 ILE HD1% A 10 ILE HB 1.0 0.0 4.05 80 73 A 10 ILE HG2% A 25 VAL HG1% 1.0 0.0 4.96 81 74 A 10 ILE HG2% A 10 ILE HA 1.0 0.0 3.10 82 75 A 30 LEU HA A 30 LEU HD1% 1.0 0.0 3.90 83 76 A 30 LEU HA A 30 LEU HD2% 1.0 0.0 3.90 84 77 A 10 ILE HG2% A 38 LYS HA 1.0 0.0 4.37 85 78 A 8 CYS HB3 A 12 ARG HA 1.0 0.0 4.84 86 79 A 8 CYS HB3 A 13 GLY HA2 1.0 0.0 5.80 87 80 A 1 MET HA A 1 MET HE% 1.0 0.0 4.34 88 81 A 25 VAL HG2% A 9 GLY HA2 1.0 0.0 4.91 89 82 A 25 VAL HG1% A 20 CYS HB2 1.0 0.0 3.63 90 83 A 14 VAL HG2% A 28 CYS HB2 1.0 0.0 4.29 91 84 A 10 ILE HD1% A 32 CYS HB2 1.0 0.0 4.59 92 85 A 17 LYS HG3 A 18 TYR HB2 1.0 0.0 3.42 93 86 A 10 ILE HG2% A 10 ILE HD1% 1.0 0.0 3.15 94 87 A 21 PRO HD2 A 22 LYS HG2 1.0 0.0 4.19 95 88 A 31 LYS HA A 31 LYS HG2 1.0 0.0 4.12 96 89 A 22 LYS HA A 22 LYS HDx 1.0 0.0 3.06 97 89 A 22 LYS HA A 22 LYS HDy 1.0 0.0 3.06 98 90 A 13 GLY HA2 A 14 VAL HG1% 1.0 0.0 4.22 99 91 A 38 LYS HA A 38 LYS HD3 1.0 0.0 4.58 100 92 A 38 LYS HA A 38 LYS HD2 1.0 0.0 4.58 101 93 A 14 VAL HG2% A 13 GLY HA3 1.0 0.0 4.16 102 94 A 33 TYR HB3 A 30 LEU HD1% 1.0 0.0 4.64 103 95 A 7 LYS HB3 A 7 LYS HEx 1.0 0.0 3.79 104 95 A 7 LYS HB3 A 7 LYS HEy 1.0 0.0 3.79 105 96 A 32 CYS HB2 A 31 LYS HBx 1.0 0.0 5.46 106 96 A 32 CYS HB2 A 31 LYS HBy 1.0 0.0 5.46 107 97 A 32 CYS HB3 A 10 ILE HG1x 1.0 0.0 3.86 108 97 A 10 ILE HG1y A 32 CYS HB3 1.0 0.0 3.86 109 98 A 7 LYS HEy A 7 LYS HGx 1.0 0.0 3.98 110 98 A 7 LYS HGy A 7 LYS HEx 1.0 0.0 3.98 111 98 A 7 LYS HEy A 7 LYS HGy 1.0 0.0 3.98 112 98 A 7 LYS HEx A 7 LYS HGx 1.0 0.0 3.98 113 99 A 10 ILE HG2% A 38 LYS HB2 1.0 0.0 3.23 114 100 A 8 CYS HA A 16 GLY HA2 1.0 0.0 3.76 115 101 A 24 GLY HA2 A 19 LYS HEx 1.0 0.0 4.33 116 101 A 24 GLY HA2 A 19 LYS HEy 1.0 0.0 4.33 117 102 A 28 CYS HB2 A 16 GLY HA2 1.0 0.0 4.44 118 103 A 17 LYS HBx A 17 LYS HDx 1.0 0.0 2.80 119 103 A 17 LYS HBy A 17 LYS HDx 1.0 0.0 2.80 120 103 A 17 LYS HDy A 17 LYS HBx 1.0 0.0 2.80 121 103 A 17 LYS HBy A 17 LYS HDy 1.0 0.0 2.80 122 104 A 27 TYR HB3 A 10 ILE HG1x 1.0 0.0 4.53 123 104 A 10 ILE HG1y A 27 TYR HB3 1.0 0.0 4.53 124 105 A 13 GLY HA3 A 11 CYS HB3 1.0 0.0 6.00 125 106 A 31 LYS HA A 33 TYR HB3 1.0 0.0 6.00 126 107 A 33 TYR HB3 A 34 LYS HA 1.0 0.0 4.99 127 108 A 34 LYS HA A 34 LYS HEx 1.0 0.0 5.43 128 108 A 34 LYS HA A 34 LYS HEy 1.0 0.0 5.43 129 109 A 33 TYR HDx A 34 LYS HG3 1.0 0.0 4.48 130 110 A 25 VAL HG1% A 20 CYS HA 1.0 0.0 5.51 131 111 A 20 CYS H A 27 TYR HDx 1.0 0.0 5.77 132 112 A 18 TYR HEx A 18 TYR H 1.0 0.0 5.37 133 113 A 6 VAL H A 7 LYS H 1.0 0.0 4.54 134 114 A 8 CYS H A 9 GLY H 1.0 0.0 4.55 135 115 A 12 ARG H A 13 GLY H 1.0 0.0 3.27 136 116 A 14 VAL H A 13 GLY H 1.0 0.0 3.02 137 117 A 18 TYR H A 17 LYS H 1.0 0.0 3.12 138 118 A 19 LYS H A 18 TYR H 1.0 0.0 4.59 139 119 A 23 CYS H A 24 GLY H 1.0 0.0 2.70 140 120 A 37 ALA H A 36 ALA H 1.0 0.0 3.25 141 121 A 37 ALA H A 38 LYS H 1.0 0.0 2.86 142 122 A 39 HIS H A 38 LYS H 1.0 0.0 2.97 143 123 A 5 ALA H A 6 VAL HG2% 1.0 0.0 6.00 144 124 A 5 ALA H A 6 VAL HG1% 1.0 0.0 6.00 145 125 A 6 VAL H A 5 ALA H 1.0 0.0 5.54 146 126 A 6 VAL H A 5 ALA HA 1.0 0.0 2.75 147 127 A 6 VAL H A 5 ALA HB% 1.0 0.0 3.41 148 128 A 6 VAL H A 6 VAL HG1% 1.0 0.0 2.99 149 129 A 7 LYS H A 6 VAL HA 1.0 0.0 2.64 150 130 A 7 LYS H A 7 LYS HEx 1.0 0.0 5.13 151 130 A 7 LYS H A 7 LYS HEy 1.0 0.0 5.13 152 131 A 7 LYS H A 7 LYS HB2 1.0 0.0 3.11 153 132 A 7 LYS H A 7 LYS HB3 1.0 0.0 3.94 154 133 A 7 LYS H A 7 LYS HDx 1.0 0.0 3.99 155 133 A 7 LYS H A 7 LYS HDy 1.0 0.0 3.99 156 134 A 7 LYS H A 7 LYS HGx 1.0 0.0 3.52 157 134 A 7 LYS H A 7 LYS HGy 1.0 0.0 3.52 158 135 A 8 CYS H A 14 VAL H 1.0 0.0 3.87 159 136 A 8 CYS H A 16 GLY HA3 1.0 0.0 4.09 160 137 A 8 CYS H A 14 VAL HB 1.0 0.0 5.98 161 138 A 8 CYS H A 7 LYS HB2 1.0 0.0 4.17 162 139 A 8 CYS H A 7 LYS HDx 1.0 0.0 3.93 163 139 A 8 CYS H A 7 LYS HDy 1.0 0.0 3.93 164 140 A 8 CYS H A 7 LYS HGx 1.0 0.0 4.64 165 140 A 8 CYS H A 7 LYS HGy 1.0 0.0 4.64 166 141 A 8 CYS H A 14 VAL HG2% 1.0 0.0 4.52 167 142 A 9 GLY H A 28 CYS H 1.0 0.0 5.26 168 143 A 9 GLY H A 27 TYR HA 1.0 0.0 3.97 169 144 A 9 GLY H A 26 ARG HA 1.0 0.0 5.60 170 145 A 9 GLY H A 8 CYS HB3 1.0 0.0 4.62 171 146 A 9 GLY H A 8 CYS HB2 1.0 0.0 4.49 172 147 A 9 GLY H A 10 ILE HB 1.0 0.0 5.34 173 148 A 9 GLY H A 7 LYS HB2 1.0 0.0 6.00 174 149 A 9 GLY H A 25 VAL HG2% 1.0 0.0 3.78 175 150 A 9 GLY H A 10 ILE HG1x 1.0 0.0 4.59 176 150 A 9 GLY H A 10 ILE HG1y 1.0 0.0 4.59 177 151 A 9 GLY H A 10 ILE HD1% 1.0 0.0 5.08 178 152 A 9 GLY H A 25 VAL HG1% 1.0 0.0 5.17 179 153 A 10 ILE H A 12 ARG HA 1.0 0.0 4.71 180 154 A 10 ILE H A 11 CYS HB3 1.0 0.0 4.85 181 155 A 10 ILE H A 8 CYS HB2 1.0 0.0 4.87 182 156 A 10 ILE H A 10 ILE HG2% 1.0 0.0 3.94 183 157 A 9 GLY H A 11 CYS H 1.0 0.0 4.87 184 158 A 11 CYS H A 8 CYS HA 1.0 0.0 4.98 185 159 A 11 CYS H A 8 CYS HB2 1.0 0.0 4.65 186 160 A 11 CYS H A 32 CYS HB3 1.0 0.0 4.50 187 161 A 11 CYS H A 10 ILE HG1x 1.0 0.0 3.86 188 161 A 11 CYS H A 10 ILE HG1y 1.0 0.0 3.86 189 162 A 11 CYS H A 12 ARG HGx 1.0 0.0 4.68 190 162 A 11 CYS H A 12 ARG HGy 1.0 0.0 4.68 191 163 A 11 CYS H A 10 ILE HD1% 1.0 0.0 4.93 192 164 A 10 ILE H A 12 ARG H 1.0 0.0 3.71 193 165 A 12 ARG H A 8 CYS HA 1.0 0.0 4.87 194 166 A 12 ARG H A 11 CYS HB3 1.0 0.0 4.17 195 167 A 12 ARG H A 12 ARG HB2 1.0 0.0 4.10 196 168 A 12 ARG H A 12 ARG HB3 1.0 0.0 4.10 197 169 A 12 ARG H A 12 ARG HGx 1.0 0.0 3.28 198 169 A 12 ARG H A 12 ARG HGy 1.0 0.0 3.28 199 170 A 13 GLY H A 28 CYS HB3 1.0 0.0 4.99 200 171 A 8 CYS HB2 A 13 GLY H 1.0 0.0 4.00 201 172 A 13 GLY H A 12 ARG HB3 1.0 0.0 4.68 202 173 A 13 GLY H A 12 ARG HB2 1.0 0.0 4.68 203 174 A 13 GLY H A 14 VAL HG1% 1.0 0.0 4.80 204 175 A 13 GLY H A 14 VAL HG2% 1.0 0.0 4.47 205 176 A 14 VAL H A 13 GLY HA3 1.0 0.0 3.05 206 177 A 14 VAL H A 14 VAL HG2% 1.0 0.0 2.87 207 178 A 14 VAL H A 14 VAL HG1% 1.0 0.0 3.08 208 179 A 14 VAL HA A 15 ASP H 1.0 0.0 2.82 209 180 A 15 ASP H A 15 ASP HA 1.0 0.0 2.91 210 181 A 15 ASP H A 28 CYS HB2 1.0 0.0 5.74 211 182 A 15 ASP H A 15 ASP HB2 1.0 0.0 3.67 212 183 A 15 ASP H A 14 VAL HB 1.0 0.0 3.02 213 184 A 15 ASP H A 15 ASP HB3 1.0 0.0 3.67 214 185 A 15 ASP H A 14 VAL HG2% 1.0 0.0 3.47 215 186 A 15 ASP H A 14 VAL HG1% 1.0 0.0 3.62 216 187 A 15 ASP H A 7 LYS HB3 1.0 0.0 5.53 217 188 A 15 ASP H A 5 ALA HB% 1.0 0.0 5.93 218 189 A 16 GLY H A 7 LYS H 1.0 0.0 4.33 219 190 A 16 GLY H A 8 CYS HA 1.0 0.0 4.09 220 191 A 16 GLY H A 16 GLY HA3 1.0 0.0 2.89 221 192 A 16 GLY H A 8 CYS HB3 1.0 0.0 5.61 222 193 A 16 GLY H A 15 ASP HB3 1.0 0.0 4.41 223 194 A 16 GLY H A 6 VAL HB 1.0 0.0 5.49 224 195 A 16 GLY H A 26 ARG HB3 1.0 0.0 4.82 225 196 A 16 GLY H A 7 LYS HB3 1.0 0.0 4.73 226 197 A 16 GLY H A 6 VAL HG1% 1.0 0.0 4.07 227 198 A 16 GLY H A 17 LYS H 1.0 0.0 4.40 228 199 A 28 CYS H A 17 LYS H 1.0 0.0 5.19 229 200 A 18 TYR HDx A 17 LYS H 1.0 0.0 4.54 230 201 A 17 LYS H A 28 CYS HA 1.0 0.0 3.22 231 202 A 16 GLY HA2 A 17 LYS H 1.0 0.0 3.10 232 203 A 28 CYS HB2 A 17 LYS H 1.0 0.0 4.61 233 204 A 8 CYS HB2 A 17 LYS H 1.0 0.0 5.44 234 205 A 17 LYS HG3 A 17 LYS H 1.0 0.0 3.73 235 206 A 17 LYS HG2 A 17 LYS H 1.0 0.0 3.29 236 207 A 17 LYS H A 17 LYS HBx 1.0 0.0 3.06 237 207 A 17 LYS HBy A 17 LYS H 1.0 0.0 3.06 238 208 A 17 LYS H A 17 LYS HDx 1.0 0.0 4.38 239 208 A 17 LYS HDy A 17 LYS H 1.0 0.0 4.38 240 209 A 27 TYR HDx A 18 TYR H 1.0 0.0 4.97 241 210 A 18 TYR HDx A 18 TYR H 1.0 0.0 3.40 242 211 A 27 TYR HEx A 18 TYR H 1.0 0.0 5.03 243 212 A 18 TYR H A 26 ARG HA 1.0 0.0 5.29 244 213 A 18 TYR H A 28 CYS HA 1.0 0.0 4.13 245 214 A 16 GLY HA3 A 18 TYR H 1.0 0.0 4.41 246 215 A 18 TYR H A 17 LYS HBx 1.0 0.0 3.66 247 215 A 17 LYS HBy A 18 TYR H 1.0 0.0 3.66 248 216 A 17 LYS HG3 A 18 TYR H 1.0 0.0 4.35 249 217 A 27 TYR HEx A 19 LYS H 1.0 0.0 4.34 250 218 A 19 LYS H A 26 ARG HA 1.0 0.0 5.17 251 219 A 18 TYR HA A 19 LYS H 1.0 0.0 2.88 252 220 A 18 TYR HB3 A 19 LYS H 1.0 0.0 3.33 253 221 A 19 LYS H A 19 LYS HB3 1.0 0.0 3.41 254 222 A 19 LYS H A 19 LYS HB2 1.0 0.0 3.61 255 223 A 19 LYS H A 19 LYS HG3 1.0 0.0 5.13 256 224 A 20 CYS H A 25 VAL H 1.0 0.0 3.94 257 225 A 27 TYR H A 20 CYS H 1.0 0.0 5.21 258 226 A 27 TYR HEx A 20 CYS H 1.0 0.0 4.38 259 227 A 20 CYS H A 21 PRO HD3 1.0 0.0 4.73 260 228 A 21 PRO HD2 A 20 CYS H 1.0 0.0 4.67 261 229 A 20 CYS H A 19 LYS HB3 1.0 0.0 4.08 262 230 A 20 CYS H A 19 LYS HB2 1.0 0.0 4.18 263 231 A 20 CYS H A 19 LYS HG2 1.0 0.0 3.94 264 232 A 25 VAL HG1% A 20 CYS H 1.0 0.0 3.89 265 233 A 41 HIS HE1 A 22 LYS H 1.0 0.0 5.51 266 234 A 20 CYS HA A 22 LYS H 1.0 0.0 4.06 267 235 A 20 CYS HB3 A 22 LYS H 1.0 0.0 4.06 268 236 A 22 LYS H A 21 PRO HB2 1.0 0.0 4.67 269 237 A 22 LYS H A 21 PRO HG2 1.0 0.0 3.48 270 238 A 22 LYS H A 22 LYS HEx 1.0 0.0 4.98 271 238 A 22 LYS H A 22 LYS HEy 1.0 0.0 4.98 272 239 A 22 LYS HG2 A 22 LYS H 1.0 0.0 3.58 273 240 A 22 LYS HG3 A 22 LYS H 1.0 0.0 3.82 274 241 A 23 CYS H A 25 VAL H 1.0 0.0 4.03 275 242 A 23 CYS H A 20 CYS H 1.0 0.0 5.75 276 243 A 23 CYS H A 41 HIS HD2 1.0 0.0 4.79 277 244 A 23 CYS H A 21 PRO HA 1.0 0.0 5.07 278 245 A 23 CYS H A 20 CYS HB2 1.0 0.0 4.66 279 246 A 23 CYS H A 22 LYS HBx 1.0 0.0 3.14 280 246 A 23 CYS H A 22 LYS HBy 1.0 0.0 3.14 281 247 A 23 CYS H A 22 LYS HG2 1.0 0.0 4.01 282 248 A 23 CYS H A 23 CYS HB2 1.0 0.0 3.92 283 249 A 23 CYS H A 21 PRO HG2 1.0 0.0 5.97 284 250 A 23 CYS H A 22 LYS HG3 1.0 0.0 4.71 285 251 A 23 CYS H A 25 VAL HG1% 1.0 0.0 4.90 286 252 A 24 GLY H A 22 LYS H 1.0 0.0 3.85 287 253 A 24 GLY H A 21 PRO HA 1.0 0.0 4.70 288 254 A 24 GLY H A 20 CYS HB2 1.0 0.0 4.31 289 255 A 24 GLY H A 25 VAL HB 1.0 0.0 5.01 290 256 A 24 GLY H A 25 VAL HG1% 1.0 0.0 4.30 291 257 A 24 GLY H A 25 VAL H 1.0 0.0 3.39 292 258 A 20 CYS HA A 25 VAL H 1.0 0.0 4.99 293 259 A 20 CYS HB2 A 25 VAL H 1.0 0.0 3.69 294 260 A 25 VAL HB A 25 VAL H 1.0 0.0 2.90 295 261 A 25 VAL HG1% A 25 VAL H 1.0 0.0 3.12 296 262 A 9 GLY H A 26 ARG H 1.0 0.0 4.32 297 263 A 19 LYS HA A 26 ARG H 1.0 0.0 5.15 298 264 A 26 ARG H A 25 VAL HB 1.0 0.0 3.94 299 265 A 26 ARG H A 26 ARG HB3 1.0 0.0 3.83 300 266 A 26 ARG H A 6 VAL HG2% 1.0 0.0 6.00 301 267 A 26 ARG H A 6 VAL HG1% 1.0 0.0 6.00 302 268 A 27 TYR H A 17 LYS H 1.0 0.0 5.51 303 269 A 27 TYR HEx A 27 TYR H 1.0 0.0 4.62 304 270 A 27 TYR H A 16 GLY HA2 1.0 0.0 4.86 305 271 A 27 TYR H A 8 CYS HA 1.0 0.0 4.71 306 272 A 27 TYR H A 26 ARG HD2 1.0 0.0 4.75 307 273 A 27 TYR H A 26 ARG HD3 1.0 0.0 4.75 308 274 A 16 GLY HA3 A 27 TYR H 1.0 0.0 4.35 309 275 A 27 TYR H A 26 ARG HB2 1.0 0.0 4.44 310 276 A 25 VAL HG1% A 27 TYR H 1.0 0.0 4.93 311 277 A 28 CYS H A 8 CYS HA 1.0 0.0 4.05 312 278 A 28 CYS H A 16 GLY HA2 1.0 0.0 4.27 313 279 A 28 CYS H A 27 TYR HB3 1.0 0.0 3.53 314 280 A 28 CYS H A 29 SER H 1.0 0.0 3.32 315 281 A 31 LYS H A 29 SER HB2 1.0 0.0 3.97 316 282 A 31 LYS H A 29 SER HB3 1.0 0.0 3.97 317 283 A 31 LYS H A 31 LYS HEx 1.0 0.0 4.61 318 283 A 31 LYS H A 31 LYS HEy 1.0 0.0 4.61 319 284 A 31 LYS H A 31 LYS HBx 1.0 0.0 2.74 320 284 A 31 LYS H A 31 LYS HBy 1.0 0.0 2.74 321 285 A 31 LYS H A 31 LYS HDx 1.0 0.0 3.34 322 285 A 31 LYS H A 31 LYS HDy 1.0 0.0 3.34 323 286 A 31 LYS H A 31 LYS HG3 1.0 0.0 4.12 324 287 A 31 LYS H A 31 LYS HG2 1.0 0.0 4.29 325 288 A 31 LYS H A 30 LEU HD1% 1.0 0.0 5.12 326 289 A 31 LYS H A 30 LEU HD2% 1.0 0.0 5.12 327 290 A 28 CYS H A 32 CYS H 1.0 0.0 5.08 328 291 A 30 LEU H A 32 CYS H 1.0 0.0 5.15 329 292 A 32 CYS H A 29 SER HA 1.0 0.0 5.17 330 293 A 27 TYR HB2 A 32 CYS H 1.0 0.0 4.05 331 294 A 10 ILE HB A 32 CYS H 1.0 0.0 5.59 332 295 A 31 LYS HG2 A 32 CYS H 1.0 0.0 4.29 333 296 A 10 ILE HG2% A 32 CYS H 1.0 0.0 5.09 334 297 A 10 ILE HD1% A 32 CYS H 1.0 0.0 5.06 335 298 A 33 TYR H A 35 ASP H 1.0 0.0 4.65 336 299 A 33 TYR H A 30 LEU H 1.0 0.0 4.77 337 300 A 33 TYR H A 27 TYR HB2 1.0 0.0 3.52 338 301 A 33 TYR H A 30 LEU HB3 1.0 0.0 5.42 339 302 A 33 TYR H A 34 LYS HG3 1.0 0.0 5.92 340 303 A 39 HIS H A 35 ASP H 1.0 0.0 4.88 341 304 A 35 ASP H A 35 ASP HB3 1.0 0.0 2.99 342 305 A 35 ASP H A 34 LYS HB3 1.0 0.0 4.52 343 306 A 35 ASP H A 34 LYS HB2 1.0 0.0 4.39 344 307 A 36 ALA HB% A 35 ASP H 1.0 0.0 5.42 345 308 A 35 ASP H A 34 LYS HG2 1.0 0.0 5.12 346 309 A 10 ILE HD1% A 35 ASP H 1.0 0.0 5.01 347 310 A 35 ASP H A 36 ALA H 1.0 0.0 4.38 348 311 A 36 ALA H A 38 LYS H 1.0 0.0 4.72 349 312 A 36 ALA H A 35 ASP HA 1.0 0.0 2.61 350 313 A 36 ALA H A 35 ASP HB3 1.0 0.0 4.48 351 314 A 36 ALA H A 35 ASP HB2 1.0 0.0 4.46 352 315 A 36 ALA HB% A 36 ALA H 1.0 0.0 2.69 353 316 A 37 ALA H A 35 ASP HA 1.0 0.0 3.86 354 317 A 37 ALA H A 35 ASP HB3 1.0 0.0 4.65 355 318 A 37 ALA H A 35 ASP HB2 1.0 0.0 4.86 356 319 A 37 ALA H A 37 ALA HB% 1.0 0.0 2.66 357 320 A 36 ALA HA A 38 LYS H 1.0 0.0 4.39 358 321 A 38 LYS H A 35 ASP HB3 1.0 0.0 4.15 359 322 A 10 ILE HG2% A 38 LYS H 1.0 0.0 4.19 360 323 A 39 HIS H A 37 ALA H 1.0 0.0 3.74 361 324 A 39 HIS H A 39 HIS HB3 1.0 0.0 3.22 362 325 A 39 HIS H A 39 HIS HB2 1.0 0.0 3.46 363 326 A 39 HIS H A 35 ASP HB2 1.0 0.0 5.24 364 327 A 39 HIS H A 38 LYS HB3 1.0 0.0 4.25 365 328 A 39 HIS H A 38 LYS HB2 1.0 0.0 3.54 366 329 A 39 HIS H A 10 ILE HG2% 1.0 0.0 4.26 367 330 A 39 HIS H A 10 ILE HD1% 1.0 0.0 4.47 368 331 A 39 HIS HD2 A 40 VAL H 1.0 0.0 3.60 369 332 A 40 VAL H A 39 HIS HB3 1.0 0.0 4.65 370 333 A 40 VAL H A 39 HIS HB2 1.0 0.0 4.63 371 334 A 40 VAL H A 40 VAL HB 1.0 0.0 3.17 372 335 A 40 VAL H A 40 VAL HG2% 1.0 0.0 4.20 373 336 A 40 VAL H A 10 ILE HD1% 1.0 0.0 5.27 374 337 A 43 GLU H A 43 GLU HGx 1.0 0.0 4.97 375 337 A 43 GLU H A 43 GLU HGy 1.0 0.0 4.97 376 338 A 44 SER H A 43 GLU HGx 1.0 0.0 5.28 377 338 A 44 SER H A 43 GLU HGy 1.0 0.0 5.28 378 339 A 45 GLU H A 45 GLU HGx 1.0 0.0 4.52 379 339 A 45 GLU H A 45 GLU HGy 1.0 0.0 4.52 380 340 A 1 MET HA A 3 SER H 1.0 0.0 4.61 381 341 A 1 MET HE% A 3 SER H 1.0 0.0 4.06 382 342 A 16 GLY H A 6 VAL H 1.0 0.0 4.92 383 343 A 10 ILE HD1% A 28 CYS H 1.0 0.0 5.07 384 344 A 33 TYR HDx A 34 LYS H 1.0 0.0 3.94 385 345 A 33 TYR HB2 A 34 LYS H 1.0 0.0 3.79 386 346 A 34 LYS H A 34 LYS HB2 1.0 0.0 3.00 387 347 A 34 LYS HG3 A 34 LYS H 1.0 0.0 3.04 388 348 A 34 LYS H A 30 LEU HD1% 1.0 0.0 5.42 389 349 A 34 LYS H A 30 LEU HD2% 1.0 0.0 5.42 390 350 A 38 LYS H A 38 LYS HD3 1.0 0.0 5.31 391 351 A 38 LYS H A 38 LYS HD2 1.0 0.0 5.31 392 352 A 6 VAL HG2% A 5 ALA HA 1.0 0.0 4.82 393 353 A 6 VAL HG1% A 5 ALA HA 1.0 0.0 5.04 394 354 A 5 ALA HB% A 6 VAL HG1% 1.0 0.0 4.15 395 355 A 6 VAL HG2% A 6 VAL HA 1.0 0.0 2.87 396 356 A 5 ALA HB% A 6 VAL HA 1.0 0.0 4.15 397 357 A 6 VAL HA A 7 LYS HB2 1.0 0.0 5.15 398 358 A 6 VAL HG1% A 6 VAL HA 1.0 0.0 3.54 399 359 A 7 LYS HA A 7 LYS HDx 1.0 0.0 3.79 400 359 A 7 LYS HA A 7 LYS HDy 1.0 0.0 3.79 401 360 A 7 LYS HB2 A 7 LYS HEx 1.0 0.0 5.16 402 360 A 7 LYS HEy A 7 LYS HB2 1.0 0.0 5.16 403 361 A 7 LYS HB2 A 7 LYS HDx 1.0 0.0 3.38 404 361 A 7 LYS HB2 A 7 LYS HDy 1.0 0.0 3.38 405 362 A 7 LYS HB3 A 7 LYS HDx 1.0 0.0 3.28 406 362 A 7 LYS HB3 A 7 LYS HDy 1.0 0.0 3.28 407 363 A 6 VAL HG2% A 7 LYS HB3 1.0 0.0 6.00 408 364 A 6 VAL HG1% A 7 LYS HB3 1.0 0.0 6.00 409 365 A 7 LYS HDx A 7 LYS HGx 1.0 0.0 2.69 410 365 A 7 LYS HDy A 7 LYS HGx 1.0 0.0 2.69 411 365 A 7 LYS HGy A 7 LYS HDx 1.0 0.0 2.69 412 365 A 7 LYS HGy A 7 LYS HDy 1.0 0.0 2.69 413 366 A 6 VAL HG2% A 7 LYS HGx 1.0 0.0 5.06 414 366 A 6 VAL HG2% A 7 LYS HGy 1.0 0.0 5.06 415 367 A 6 VAL HG1% A 7 LYS HGx 1.0 0.0 5.68 416 367 A 6 VAL HG1% A 7 LYS HGy 1.0 0.0 5.68 417 368 A 9 GLY HA2 A 8 CYS HA 1.0 0.0 4.59 418 369 A 25 VAL HG2% A 8 CYS HA 1.0 0.0 5.44 419 370 A 7 LYS HA A 8 CYS HB2 1.0 0.0 4.65 420 371 A 10 ILE HA A 38 LYS HB3 1.0 0.0 4.24 421 372 A 25 VAL HG2% A 25 VAL HA 1.0 0.0 3.03 422 373 A 25 VAL HG1% A 25 VAL HA 1.0 0.0 3.49 423 374 A 10 ILE HD1% A 10 ILE HA 1.0 0.0 3.70 424 375 A 10 ILE HA A 11 CYS HB3 1.0 0.0 5.97 425 376 A 10 ILE HA A 38 LYS HEx 1.0 0.0 6.00 426 376 A 10 ILE HA A 38 LYS HEy 1.0 0.0 6.00 427 377 A 10 ILE HD1% A 39 HIS HB2 1.0 0.0 3.84 428 378 A 10 ILE HD1% A 27 TYR HB3 1.0 0.0 4.00 429 379 A 10 ILE HD1% A 32 CYS HB3 1.0 0.0 3.73 430 380 A 10 ILE HD1% A 39 HIS HB3 1.0 0.0 4.11 431 381 A 10 ILE HD1% A 20 CYS HB2 1.0 0.0 5.03 432 382 A 10 ILE HD1% A 32 CYS HA 1.0 0.0 4.14 433 383 A 10 ILE HG2% A 10 ILE HG1x 1.0 0.0 3.08 434 383 A 10 ILE HG2% A 10 ILE HG1y 1.0 0.0 3.08 435 384 A 10 ILE HG2% A 38 LYS HB3 1.0 0.0 3.53 436 385 A 10 ILE HG2% A 39 HIS HB2 1.0 0.0 4.34 437 386 A 10 ILE HG2% A 35 ASP HB2 1.0 0.0 4.00 438 387 A 10 ILE HG2% A 35 ASP HB3 1.0 0.0 3.49 439 388 A 12 ARG HA A 12 ARG HDx 1.0 0.0 3.96 440 388 A 12 ARG HA A 12 ARG HDy 1.0 0.0 3.96 441 389 A 12 ARG HA A 12 ARG HGx 1.0 0.0 3.15 442 389 A 12 ARG HA A 12 ARG HGy 1.0 0.0 3.15 443 390 A 12 ARG HDy A 12 ARG HB2 1.0 0.0 3.83 444 390 A 12 ARG HB2 A 12 ARG HDx 1.0 0.0 3.83 445 391 A 12 ARG HDy A 12 ARG HB3 1.0 0.0 3.83 446 391 A 12 ARG HB3 A 12 ARG HDx 1.0 0.0 3.83 447 392 A 9 GLY HA2 A 12 ARG HDx 1.0 0.0 4.44 448 392 A 9 GLY HA2 A 12 ARG HDy 1.0 0.0 4.44 449 393 A 12 ARG H A 12 ARG HDx 1.0 0.0 4.71 450 393 A 12 ARG H A 12 ARG HDy 1.0 0.0 4.71 451 394 A 14 VAL HA A 7 LYS HB3 1.0 0.0 4.91 452 395 A 14 VAL HA A 14 VAL HG1% 1.0 0.0 3.08 453 396 A 14 VAL HA A 14 VAL HG2% 1.0 0.0 3.32 454 397 A 7 LYS HB3 A 15 ASP HA 1.0 0.0 3.96 455 398 A 6 VAL HG1% A 15 ASP HA 1.0 0.0 4.47 456 399 A 14 VAL HG2% A 15 ASP HA 1.0 0.0 4.74 457 400 A 14 VAL HG2% A 15 ASP HB2 1.0 0.0 4.89 458 401 A 14 VAL HG2% A 15 ASP HB3 1.0 0.0 4.89 459 402 A 16 GLY HA3 A 8 CYS HB3 1.0 0.0 5.64 460 403 A 16 GLY HA3 A 6 VAL HG1% 1.0 0.0 4.67 461 404 A 16 GLY HA3 A 15 ASP HA 1.0 0.0 4.84 462 405 A 16 GLY HA3 A 28 CYS HA 1.0 0.0 4.62 463 406 A 16 GLY HA3 A 17 LYS HA 1.0 0.0 4.76 464 407 A 17 LYS HA A 17 LYS HBx 1.0 0.0 2.93 465 407 A 17 LYS HBy A 17 LYS HA 1.0 0.0 2.93 466 408 A 17 LYS HA A 17 LYS HDx 1.0 0.0 4.35 467 408 A 17 LYS HDy A 17 LYS HA 1.0 0.0 4.35 468 409 A 17 LYS HG2 A 17 LYS HA 1.0 0.0 4.02 469 410 A 6 VAL HG1% A 17 LYS HA 1.0 0.0 5.35 470 411 A 18 TYR HA A 18 TYR HDx 1.0 0.0 3.36 471 412 A 18 TYR HB3 A 17 LYS HDx 1.0 0.0 5.76 472 412 A 17 LYS HDy A 18 TYR HB3 1.0 0.0 5.76 473 413 A 19 LYS HA A 27 TYR HDx 1.0 0.0 4.24 474 414 A 19 LYS HA A 19 LYS HG3 1.0 0.0 3.81 475 415 A 19 LYS HA A 19 LYS HG2 1.0 0.0 3.69 476 416 A 19 LYS HA A 25 VAL HG1% 1.0 0.0 4.63 477 417 A 19 LYS HB3 A 19 LYS HEx 1.0 0.0 4.96 478 417 A 19 LYS HEy A 19 LYS HB3 1.0 0.0 4.96 479 418 A 19 LYS HB3 A 21 PRO HD3 1.0 0.0 5.33 480 419 A 21 PRO HD2 A 19 LYS HB3 1.0 0.0 5.66 481 420 A 21 PRO HG3 A 19 LYS HDx 1.0 0.0 5.35 482 420 A 19 LYS HDy A 21 PRO HG3 1.0 0.0 5.35 483 421 A 20 CYS HB3 A 19 LYS HDx 1.0 0.0 4.18 484 421 A 20 CYS HB3 A 19 LYS HDy 1.0 0.0 4.18 485 422 A 26 ARG HA A 19 LYS HDx 1.0 0.0 4.64 486 422 A 19 LYS HDy A 26 ARG HA 1.0 0.0 4.64 487 423 A 10 ILE HG2% A 38 LYS HEx 1.0 0.0 4.16 488 423 A 10 ILE HG2% A 38 LYS HEy 1.0 0.0 4.16 489 424 A 27 TYR HEx A 20 CYS HA 1.0 0.0 4.20 490 425 A 33 TYR HEx A 20 CYS HA 1.0 0.0 4.35 491 426 A 27 TYR HEx A 20 CYS HB3 1.0 0.0 5.77 492 427 A 20 CYS HB3 A 22 LYS HBx 1.0 0.0 5.27 493 427 A 20 CYS HB3 A 22 LYS HBy 1.0 0.0 5.27 494 428 A 27 TYR HEx A 20 CYS HB2 1.0 0.0 4.27 495 429 A 22 LYS HG3 A 22 LYS HA 1.0 0.0 3.96 496 430 A 22 LYS H A 22 LYS HDx 1.0 0.0 4.64 497 430 A 22 LYS HDy A 22 LYS H 1.0 0.0 4.64 498 431 A 22 LYS HA A 23 CYS HA 1.0 0.0 5.06 499 432 A 23 CYS HA A 24 GLY HA3 1.0 0.0 5.42 500 433 A 23 CYS HA A 22 LYS HBx 1.0 0.0 4.42 501 433 A 22 LYS HBy A 23 CYS HA 1.0 0.0 4.42 502 434 A 24 GLY HA3 A 19 LYS HEx 1.0 0.0 4.79 503 434 A 19 LYS HEy A 24 GLY HA3 1.0 0.0 4.79 504 435 A 24 GLY HA2 A 19 LYS HDx 1.0 0.0 4.57 505 435 A 24 GLY HA2 A 19 LYS HDy 1.0 0.0 4.57 506 436 A 26 ARG HA A 25 VAL HA 1.0 0.0 4.56 507 437 A 26 ARG HA A 26 ARG HD2 1.0 0.0 4.00 508 438 A 26 ARG HA A 26 ARG HD3 1.0 0.0 4.00 509 439 A 26 ARG HA A 19 LYS HG2 1.0 0.0 4.52 510 440 A 26 ARG HA A 19 LYS HB2 1.0 0.0 4.62 511 441 A 25 VAL HG1% A 26 ARG HA 1.0 0.0 4.54 512 442 A 16 GLY HA2 A 26 ARG HB2 1.0 0.0 5.98 513 443 A 26 ARG HB3 A 19 LYS HG2 1.0 0.0 5.24 514 444 A 25 VAL HG2% A 26 ARG HB3 1.0 0.0 5.82 515 445 A 6 VAL HG1% A 26 ARG HB3 1.0 0.0 4.91 516 446 A 19 LYS HG2 A 26 ARG HD3 1.0 0.0 4.76 517 447 A 19 LYS HG2 A 26 ARG HD2 1.0 0.0 4.76 518 448 A 19 LYS HB2 A 26 ARG HD2 1.0 0.0 4.61 519 449 A 19 LYS HB2 A 26 ARG HD3 1.0 0.0 4.61 520 450 A 6 VAL HG1% A 26 ARG HD2 1.0 0.0 4.48 521 451 A 6 VAL HG1% A 26 ARG HD3 1.0 0.0 4.48 522 452 A 26 ARG H A 26 ARG HG3 1.0 0.0 4.60 523 453 A 27 TYR HA A 27 TYR HDx 1.0 0.0 4.13 524 454 A 27 TYR HA A 9 GLY HA2 1.0 0.0 5.93 525 455 A 27 TYR HA A 8 CYS HB3 1.0 0.0 4.70 526 456 A 10 ILE HD1% A 27 TYR HA 1.0 0.0 4.29 527 457 A 27 TYR HB3 A 32 CYS H 1.0 0.0 6.00 528 458 A 27 TYR HA A 28 CYS HA 1.0 0.0 4.34 529 459 A 16 GLY H A 28 CYS HA 1.0 0.0 4.74 530 460 A 8 CYS HA A 28 CYS HA 1.0 0.0 4.86 531 461 A 8 CYS HB2 A 28 CYS HB2 1.0 0.0 4.19 532 462 A 28 CYS HB2 A 8 CYS HA 1.0 0.0 6.00 533 463 A 27 TYR HA A 28 CYS HB2 1.0 0.0 5.89 534 464 A 14 VAL HB A 28 CYS HB3 1.0 0.0 5.68 535 465 A 8 CYS HA A 28 CYS HB3 1.0 0.0 5.14 536 466 A 27 TYR HA A 28 CYS HB3 1.0 0.0 5.74 537 467 A 33 TYR HA A 30 LEU HA 1.0 0.0 4.45 538 468 A 30 LEU HA A 30 LEU HG 1.0 0.0 3.31 539 469 A 30 LEU HB3 A 30 LEU HD2% 1.0 0.0 4.16 540 470 A 30 LEU HB3 A 30 LEU HD1% 1.0 0.0 4.16 541 471 A 30 LEU HB2 A 30 LEU HD1% 1.0 0.0 4.02 542 472 A 30 LEU HB3 A 31 LYS HG2 1.0 0.0 5.05 543 473 A 31 LYS HG2 A 30 LEU HB2 1.0 0.0 5.31 544 474 A 31 LYS H A 30 LEU HB2 1.0 0.0 4.61 545 475 A 30 LEU HB2 A 30 LEU HD2% 1.0 0.0 4.02 546 476 A 31 LYS HA A 31 LYS HDx 1.0 0.0 3.49 547 476 A 31 LYS HA A 31 LYS HDy 1.0 0.0 3.49 548 477 A 31 LYS HBx A 31 LYS HDx 1.0 0.0 3.57 549 477 A 31 LYS HDy A 31 LYS HBx 1.0 0.0 3.57 550 477 A 31 LYS HBy A 31 LYS HDy 1.0 0.0 3.57 551 477 A 31 LYS HBy A 31 LYS HDx 1.0 0.0 3.57 552 478 A 31 LYS HG3 A 31 LYS HDx 1.0 0.0 2.75 553 478 A 31 LYS HDy A 31 LYS HG3 1.0 0.0 2.75 554 479 A 31 LYS HG3 A 32 CYS H 1.0 0.0 5.11 555 480 A 35 ASP HB2 A 32 CYS HA 1.0 0.0 3.30 556 481 A 33 TYR HA A 34 LYS HG3 1.0 0.0 5.24 557 482 A 33 TYR HA A 10 ILE HG1x 1.0 0.0 5.38 558 482 A 10 ILE HG1y A 33 TYR HA 1.0 0.0 5.38 559 483 A 10 ILE HD1% A 33 TYR HA 1.0 0.0 4.00 560 484 A 33 TYR HDx A 33 TYR HA 1.0 0.0 3.34 561 485 A 33 TYR HEx A 33 TYR HA 1.0 0.0 4.75 562 486 A 33 TYR HA A 27 TYR HDx 1.0 0.0 5.29 563 487 A 30 LEU H A 33 TYR HB3 1.0 0.0 5.03 564 488 A 34 LYS HG2 A 34 LYS HA 1.0 0.0 3.40 565 489 A 34 LYS HG3 A 34 LYS HA 1.0 0.0 3.24 566 490 A 33 TYR HDx A 34 LYS HA 1.0 0.0 4.30 567 491 A 36 ALA HB% A 35 ASP HA 1.0 0.0 4.01 568 492 A 35 ASP HB2 A 37 ALA HB% 1.0 0.0 4.91 569 493 A 36 ALA HA A 39 HIS HB3 1.0 0.0 4.71 570 494 A 38 LYS HA A 37 ALA HB% 1.0 0.0 4.24 571 495 A 38 LYS HA A 38 LYS HG3 1.0 0.0 3.67 572 496 A 38 LYS HA A 38 LYS HG2 1.0 0.0 3.67 573 497 A 38 LYS HB2 A 38 LYS HEx 1.0 0.0 5.33 574 497 A 38 LYS HB2 A 38 LYS HEy 1.0 0.0 5.33 575 498 A 10 ILE HA A 38 LYS HB2 1.0 0.0 5.05 576 499 A 10 ILE HG2% A 38 LYS HG2 1.0 0.0 4.62 577 500 A 10 ILE HG2% A 38 LYS HG3 1.0 0.0 4.62 578 501 A 39 HIS HA A 10 ILE HD1% 1.0 0.0 3.82 579 502 A 35 ASP H A 39 HIS HB3 1.0 0.0 5.48 580 503 A 37 ALA H A 39 HIS HB3 1.0 0.0 6.00 581 504 A 34 LYS HA A 39 HIS HB3 1.0 0.0 5.54 582 505 A 40 VAL HA A 40 VAL HG1% 1.0 0.0 3.63 583 506 A 43 GLU HA A 43 GLU HGx 1.0 0.0 3.47 584 506 A 43 GLU HGy A 43 GLU HA 1.0 0.0 3.47 585 507 A 45 GLU HA A 45 GLU HGx 1.0 0.0 3.49 586 507 A 45 GLU HGy A 45 GLU HA 1.0 0.0 3.49 587 508 A 18 TYR HB3 A 27 TYR HDx 1.0 0.0 5.66 588 509 A 18 TYR HB3 A 17 LYS HBx 1.0 0.0 5.97 589 509 A 17 LYS HBy A 18 TYR HB3 1.0 0.0 5.97 590 510 A 30 LEU HB3 A 33 TYR HB2 1.0 0.0 5.72 591 511 A 34 LYS HG3 A 33 TYR HB2 1.0 0.0 6.00 592 512 A 18 TYR HB2 A 33 TYR HB2 1.0 0.0 5.58 593 513 A 39 HIS HA A 40 VAL HB 1.0 0.0 5.18 594 514 A 41 HIS HE1 A 22 LYS HEx 1.0 0.0 5.02 595 514 A 41 HIS HE1 A 22 LYS HEy 1.0 0.0 5.02 596 515 A 41 HIS HE1 A 22 LYS HBx 1.0 0.0 3.30 597 515 A 41 HIS HE1 A 22 LYS HBy 1.0 0.0 3.30 598 516 A 41 HIS HE1 A 22 LYS HG2 1.0 0.0 4.26 599 517 A 39 HIS HE1 A 33 TYR HDx 1.0 0.0 3.36 600 518 A 39 HIS HE1 A 20 CYS HB3 1.0 0.0 4.75 601 519 A 39 HIS HE1 A 33 TYR HA 1.0 0.0 4.26 602 520 A 39 HIS HE1 A 20 CYS HB2 1.0 0.0 3.83 603 521 A 39 HIS HD2 A 10 ILE HG2% 1.0 0.0 5.16 604 522 A 27 TYR HEx A 33 TYR HB2 1.0 0.0 4.74 605 523 A 39 HIS HE1 A 41 HIS HD2 1.0 0.0 5.41 606 524 A 39 HIS HE1 A 10 ILE HD1% 1.0 0.0 5.16 607 525 A 41 HIS HD2 A 23 CYS HA 1.0 0.0 4.82 608 526 A 6 VAL H A 17 LYS HA 1.0 0.0 6.00 609 527 A 8 CYS H A 7 LYS H 1.0 0.0 4.70 610 528 A 6 VAL HB A 7 LYS H 1.0 0.0 4.10 611 529 A 8 CYS H A 12 ARG H 1.0 0.0 5.29 612 530 A 8 CYS H A 27 TYR HA 1.0 0.0 5.19 613 531 A 8 CYS H A 28 CYS HA 1.0 0.0 5.37 614 532 A 8 CYS H A 7 LYS HA 1.0 0.0 2.62 615 533 A 8 CYS H A 8 CYS HB3 1.0 0.0 2.86 616 534 A 8 CYS H A 16 GLY HA2 1.0 0.0 4.45 617 535 A 8 CYS H A 8 CYS HB2 1.0 0.0 2.92 618 536 A 8 CYS H A 28 CYS HB3 1.0 0.0 4.25 619 537 A 8 CYS H A 7 LYS HB3 1.0 0.0 3.20 620 538 A 8 CYS H A 14 VAL HG1% 1.0 0.0 5.78 621 539 A 8 CYS H A 6 VAL HG2% 1.0 0.0 5.37 622 540 A 8 CYS H A 6 VAL HG1% 1.0 0.0 5.61 623 541 A 9 GLY H A 12 ARG HA 1.0 0.0 5.62 624 542 A 9 GLY H A 8 CYS HA 1.0 0.0 2.72 625 543 A 9 GLY H A 27 TYR HB3 1.0 0.0 5.60 626 544 A 9 GLY H A 26 ARG HB2 1.0 0.0 4.19 627 545 A 9 GLY H A 26 ARG HB3 1.0 0.0 4.36 628 546 A 9 GLY H A 10 ILE H 1.0 0.0 3.28 629 547 A 10 ILE H A 11 CYS H 1.0 0.0 3.01 630 548 A 10 ILE H A 27 TYR HA 1.0 0.0 4.33 631 549 A 10 ILE H A 11 CYS HA 1.0 0.0 5.35 632 550 A 10 ILE H A 9 GLY HA2 1.0 0.0 3.39 633 551 A 10 ILE H A 8 CYS HA 1.0 0.0 4.03 634 552 A 10 ILE H A 8 CYS HB3 1.0 0.0 4.25 635 553 A 10 ILE H A 11 CYS HB2 1.0 0.0 6.00 636 554 A 10 ILE H A 12 ARG HDx 1.0 0.0 6.00 637 554 A 10 ILE H A 12 ARG HDy 1.0 0.0 6.00 638 555 A 10 ILE H A 32 CYS HB3 1.0 0.0 4.90 639 556 A 10 ILE H A 27 TYR HB3 1.0 0.0 5.26 640 557 A 10 ILE H A 10 ILE HB 1.0 0.0 2.97 641 558 A 10 ILE H A 10 ILE HG1x 1.0 0.0 3.08 642 558 A 10 ILE H A 10 ILE HG1y 1.0 0.0 3.08 643 559 A 10 ILE H A 12 ARG HGx 1.0 0.0 5.00 644 559 A 10 ILE H A 12 ARG HGy 1.0 0.0 5.00 645 560 A 11 CYS H A 13 GLY H 1.0 0.0 4.10 646 561 A 11 CYS H A 12 ARG HA 1.0 0.0 4.07 647 562 A 11 CYS H A 8 CYS HB3 1.0 0.0 3.73 648 563 A 11 CYS H A 11 CYS HB2 1.0 0.0 4.04 649 564 A 11 CYS H A 11 CYS HB3 1.0 0.0 3.32 650 565 A 11 CYS H A 27 TYR HB3 1.0 0.0 5.69 651 566 A 11 CYS H A 10 ILE HB 1.0 0.0 2.87 652 567 A 11 CYS H A 12 ARG H 1.0 0.0 2.92 653 568 A 9 GLY H A 12 ARG H 1.0 0.0 5.16 654 569 A 12 ARG H A 12 ARG HA 1.0 0.0 2.58 655 570 A 12 ARG H A 9 GLY HA2 1.0 0.0 4.26 656 571 A 12 ARG H A 13 GLY HA3 1.0 0.0 5.32 657 572 A 12 ARG H A 8 CYS HB3 1.0 0.0 3.34 658 573 A 8 CYS HB2 A 12 ARG H 1.0 0.0 4.33 659 574 A 10 ILE HG2% A 12 ARG H 1.0 0.0 5.22 660 575 A 13 GLY H A 11 CYS HA 1.0 0.0 5.46 661 576 A 13 GLY H A 12 ARG HA 1.0 0.0 3.08 662 577 A 13 GLY H A 13 GLY HA3 1.0 0.0 2.81 663 578 A 13 GLY H A 8 CYS HB3 1.0 0.0 3.37 664 579 A 11 CYS HB2 A 13 GLY H 1.0 0.0 4.96 665 580 A 13 GLY H A 12 ARG HDx 1.0 0.0 5.64 666 580 A 13 GLY H A 12 ARG HDy 1.0 0.0 5.64 667 581 A 13 GLY H A 11 CYS HB3 1.0 0.0 5.21 668 582 A 13 GLY H A 12 ARG HGx 1.0 0.0 4.78 669 582 A 13 GLY H A 12 ARG HGy 1.0 0.0 4.78 670 583 A 14 VAL H A 8 CYS HB3 1.0 0.0 4.04 671 584 A 14 VAL H A 28 CYS HB3 1.0 0.0 4.94 672 585 A 14 VAL H A 7 LYS HDx 1.0 0.0 5.72 673 585 A 14 VAL H A 7 LYS HDy 1.0 0.0 5.72 674 586 A 14 VAL H A 7 LYS HB3 1.0 0.0 5.39 675 587 A 16 GLY H A 15 ASP H 1.0 0.0 4.68 676 588 A 15 ASP H A 14 VAL H 1.0 0.0 4.36 677 589 A 16 GLY H A 15 ASP HA 1.0 0.0 2.80 678 590 A 17 LYS H A 15 ASP HA 1.0 0.0 5.75 679 591 A 16 GLY HA2 A 18 TYR H 1.0 0.0 4.28 680 592 A 18 TYR HB3 A 18 TYR H 1.0 0.0 3.63 681 593 A 18 TYR H A 26 ARG HB3 1.0 0.0 5.32 682 594 A 18 TYR H A 17 LYS HDx 1.0 0.0 4.88 683 594 A 17 LYS HDy A 18 TYR H 1.0 0.0 4.88 684 595 A 18 TYR HB2 A 18 TYR H 1.0 0.0 3.23 685 596 A 19 LYS H A 20 CYS H 1.0 0.0 4.76 686 597 A 18 TYR HDx A 19 LYS H 1.0 0.0 5.31 687 598 A 18 TYR HB2 A 19 LYS H 1.0 0.0 4.19 688 599 A 19 LYS H A 19 LYS HG2 1.0 0.0 4.68 689 600 A 20 CYS H A 26 ARG HA 1.0 0.0 3.90 690 601 A 19 LYS HA A 20 CYS H 1.0 0.0 2.65 691 602 A 20 CYS H A 21 PRO HA 1.0 0.0 5.57 692 603 A 20 CYS H A 24 GLY HA3 1.0 0.0 5.58 693 604 A 24 GLY HA2 A 20 CYS H 1.0 0.0 4.77 694 605 A 20 CYS HB3 A 20 CYS H 1.0 0.0 3.01 695 606 A 20 CYS HB2 A 20 CYS H 1.0 0.0 3.09 696 607 A 20 CYS H A 19 LYS HDx 1.0 0.0 4.24 697 607 A 19 LYS HDy A 20 CYS H 1.0 0.0 4.24 698 608 A 20 CYS H A 19 LYS HG3 1.0 0.0 4.05 699 609 A 23 CYS H A 22 LYS H 1.0 0.0 2.93 700 610 A 22 LYS H A 21 PRO HA 1.0 0.0 3.37 701 611 A 21 PRO HD2 A 22 LYS H 1.0 0.0 3.36 702 612 A 24 GLY HA2 A 22 LYS H 1.0 0.0 5.02 703 613 A 20 CYS HB2 A 22 LYS H 1.0 0.0 4.73 704 614 A 22 LYS H A 22 LYS HBx 1.0 0.0 2.87 705 614 A 22 LYS HBy A 22 LYS H 1.0 0.0 2.87 706 615 A 23 CYS H A 20 CYS HB3 1.0 0.0 3.51 707 616 A 23 CYS H A 23 CYS HB3 1.0 0.0 3.92 708 617 A 23 CYS H A 25 VAL HB 1.0 0.0 5.09 709 618 A 24 GLY H A 20 CYS H 1.0 0.0 4.28 710 619 A 24 GLY HA2 A 24 GLY H 1.0 0.0 2.75 711 620 A 20 CYS HB3 A 24 GLY H 1.0 0.0 3.37 712 621 A 24 GLY H A 25 VAL HG2% 1.0 0.0 5.37 713 622 A 20 CYS HB3 A 25 VAL H 1.0 0.0 3.25 714 623 A 25 VAL HG2% A 25 VAL H 1.0 0.0 3.83 715 624 A 26 ARG H A 25 VAL HA 1.0 0.0 2.61 716 625 A 26 ARG H A 9 GLY HA3 1.0 0.0 4.22 717 626 A 26 ARG H A 26 ARG HB2 1.0 0.0 3.12 718 627 A 26 ARG H A 25 VAL HG2% 1.0 0.0 3.12 719 628 A 9 GLY H A 27 TYR H 1.0 0.0 5.31 720 629 A 26 ARG H A 27 TYR H 1.0 0.0 4.32 721 630 A 27 TYR H A 18 TYR H 1.0 0.0 3.80 722 631 A 27 TYR H A 27 TYR HDx 1.0 0.0 3.31 723 632 A 27 TYR H A 26 ARG HA 1.0 0.0 2.74 724 633 A 19 LYS HA A 27 TYR H 1.0 0.0 3.65 725 634 A 27 TYR H A 27 TYR HB3 1.0 0.0 3.76 726 635 A 27 TYR H A 27 TYR HB2 1.0 0.0 4.08 727 636 A 18 TYR HB3 A 27 TYR H 1.0 0.0 4.66 728 637 A 27 TYR H A 26 ARG HB3 1.0 0.0 3.49 729 638 A 27 TYR H A 19 LYS HG2 1.0 0.0 5.28 730 639 A 25 VAL HG2% A 27 TYR H 1.0 0.0 5.70 731 640 A 18 TYR HB2 A 27 TYR H 1.0 0.0 4.16 732 641 A 8 CYS H A 28 CYS H 1.0 0.0 5.81 733 642 A 11 CYS H A 28 CYS H 1.0 0.0 6.00 734 643 A 27 TYR HA A 28 CYS H 1.0 0.0 2.87 735 644 A 28 CYS H A 28 CYS HB2 1.0 0.0 3.71 736 645 A 28 CYS H A 32 CYS HB2 1.0 0.0 3.88 737 646 A 28 CYS H A 27 TYR HB2 1.0 0.0 3.19 738 647 A 28 CYS H A 28 CYS HB3 1.0 0.0 2.99 739 648 A 8 CYS HB2 A 28 CYS H 1.0 0.0 3.53 740 649 A 28 CYS H A 10 ILE HB 1.0 0.0 5.00 741 650 A 28 CYS H A 14 VAL HG2% 1.0 0.0 5.23 742 651 A 28 CYS H A 10 ILE HG1x 1.0 0.0 5.19 743 651 A 10 ILE HG1y A 28 CYS H 1.0 0.0 5.19 744 652 A 10 ILE HG2% A 28 CYS H 1.0 0.0 5.89 745 653 A 33 TYR H A 29 SER H 1.0 0.0 4.31 746 654 A 27 TYR HA A 29 SER H 1.0 0.0 4.11 747 655 A 29 SER H A 29 SER HB2 1.0 0.0 4.17 748 656 A 29 SER H A 29 SER HB3 1.0 0.0 4.17 749 657 A 28 CYS HB2 A 29 SER H 1.0 0.0 4.08 750 658 A 32 CYS HB2 A 29 SER H 1.0 0.0 3.61 751 659 A 27 TYR HB2 A 29 SER H 1.0 0.0 3.25 752 660 A 27 TYR HB3 A 29 SER H 1.0 0.0 3.88 753 661 A 33 TYR HB2 A 29 SER H 1.0 0.0 4.79 754 662 A 31 LYS H A 32 CYS H 1.0 0.0 3.45 755 663 A 31 LYS H A 33 TYR HB2 1.0 0.0 4.99 756 664 A 33 TYR H A 32 CYS H 1.0 0.0 2.95 757 665 A 33 TYR HA A 32 CYS H 1.0 0.0 4.95 758 666 A 32 CYS HB2 A 32 CYS H 1.0 0.0 2.87 759 667 A 33 TYR HB2 A 32 CYS H 1.0 0.0 4.66 760 668 A 32 CYS H A 31 LYS HBx 1.0 0.0 3.11 761 668 A 31 LYS HBy A 32 CYS H 1.0 0.0 3.11 762 669 A 32 CYS H A 31 LYS HDx 1.0 0.0 4.95 763 669 A 31 LYS HDy A 32 CYS H 1.0 0.0 4.95 764 670 A 33 TYR H A 33 TYR HDx 1.0 0.0 4.66 765 671 A 33 TYR H A 30 LEU HA 1.0 0.0 3.30 766 672 A 33 TYR H A 33 TYR HB3 1.0 0.0 2.93 767 673 A 33 TYR H A 33 TYR HB2 1.0 0.0 2.94 768 674 A 33 TYR H A 31 LYS HBx 1.0 0.0 4.59 769 674 A 33 TYR H A 31 LYS HBy 1.0 0.0 4.59 770 675 A 33 TYR H A 30 LEU HG 1.0 0.0 5.91 771 676 A 33 TYR H A 10 ILE HD1% 1.0 0.0 4.32 772 677 A 34 LYS H A 33 TYR HB3 1.0 0.0 3.34 773 678 A 34 LYS H A 34 LYS HB3 1.0 0.0 3.64 774 679 A 34 LYS H A 34 LYS HG2 1.0 0.0 3.58 775 680 A 35 ASP H A 34 LYS H 1.0 0.0 3.39 776 681 A 35 ASP H A 34 LYS HA 1.0 0.0 3.47 777 682 A 35 ASP H A 35 ASP HB2 1.0 0.0 2.97 778 683 A 35 ASP H A 39 HIS HB2 1.0 0.0 4.51 779 684 A 38 LYS H A 39 HIS HB2 1.0 0.0 4.91 780 685 A 38 LYS H A 38 LYS HB3 1.0 0.0 3.94 781 686 A 39 HIS H A 37 ALA HA 1.0 0.0 5.42 782 687 A 39 HIS H A 40 VAL H 1.0 0.0 4.35 783 688 A 39 HIS HA A 40 VAL H 1.0 0.0 2.82 784 689 A 40 VAL H A 38 LYS HA 1.0 0.0 5.43 785 690 A 46 GLN H A 44 SER HA 1.0 0.0 5.37 786 691 A 26 ARG H A 26 ARG HD3 1.0 0.0 5.50 787 692 A 26 ARG H A 26 ARG HD2 1.0 0.0 5.50 788 693 A 38 LYS HB2 A 38 LYS H 1.0 0.0 2.92 789 694 A 38 LYS H A 37 ALA HB% 1.0 0.0 3.12 790 695 A 18 TYR HA A 27 TYR H 1.0 0.0 5.29 791 696 A 33 TYR H A 10 ILE HG1x 1.0 0.0 6.00 792 696 A 33 TYR H A 10 ILE HG1y 1.0 0.0 6.00 793 697 A 39 HIS HD2 A 39 HIS H 1.0 0.0 5.34 794 698 A 1 MET HE% A 1 MET HBx 1.0 0.0 2.68 795 698 A 1 MET HE% A 1 MET HBy 1.0 0.0 2.68 796 699 A 6 VAL HA A 7 LYS HGx 1.0 0.0 4.75 797 699 A 7 LYS HGy A 6 VAL HA 1.0 0.0 4.75 798 700 A 16 GLY H A 6 VAL HA 1.0 0.0 5.08 799 701 A 7 LYS HA A 7 LYS HGx 1.0 0.0 3.72 800 701 A 7 LYS HA A 7 LYS HGy 1.0 0.0 3.72 801 702 A 16 GLY HA3 A 8 CYS HA 1.0 0.0 3.67 802 703 A 8 CYS HA A 26 ARG HB2 1.0 0.0 4.43 803 704 A 8 CYS HA A 26 ARG HB3 1.0 0.0 4.35 804 705 A 7 LYS HB3 A 8 CYS HA 1.0 0.0 5.32 805 706 A 8 CYS HB3 A 28 CYS HB3 1.0 0.0 3.97 806 707 A 7 LYS HA A 8 CYS HB3 1.0 0.0 4.93 807 708 A 8 CYS HB2 A 28 CYS HB3 1.0 0.0 3.43 808 709 A 8 CYS HB2 A 16 GLY HA2 1.0 0.0 4.63 809 710 A 26 ARG HB2 A 25 VAL HA 1.0 0.0 4.45 810 711 A 10 ILE HA A 10 ILE HG1x 1.0 0.0 3.63 811 711 A 10 ILE HG1y A 10 ILE HA 1.0 0.0 3.63 812 712 A 10 ILE HB A 32 CYS HB3 1.0 0.0 3.54 813 713 A 10 ILE HB A 32 CYS HB2 1.0 0.0 3.99 814 714 A 10 ILE HD1% A 38 LYS HB3 1.0 0.0 4.80 815 715 A 10 ILE HD1% A 35 ASP HB3 1.0 0.0 4.42 816 716 A 39 HIS HB2 A 10 ILE HG1x 1.0 0.0 4.55 817 716 A 10 ILE HG1y A 39 HIS HB2 1.0 0.0 4.55 818 717 A 8 CYS HA A 10 ILE HG1x 1.0 0.0 5.60 819 717 A 10 ILE HG1y A 8 CYS HA 1.0 0.0 5.60 820 718 A 9 GLY HA3 A 10 ILE HG1x 1.0 0.0 5.80 821 718 A 10 ILE HG1y A 9 GLY HA3 1.0 0.0 5.80 822 719 A 8 CYS HB3 A 10 ILE HG1x 1.0 0.0 6.00 823 719 A 10 ILE HG1y A 8 CYS HB3 1.0 0.0 6.00 824 720 A 10 ILE HG2% A 32 CYS HB3 1.0 0.0 3.61 825 721 A 10 ILE HG2% A 32 CYS HB2 1.0 0.0 3.94 826 722 A 11 CYS HB3 A 11 CYS HA 1.0 0.0 2.92 827 723 A 11 CYS HB2 A 11 CYS HA 1.0 0.0 2.86 828 724 A 10 ILE HB A 11 CYS HA 1.0 0.0 4.58 829 725 A 10 ILE HG2% A 11 CYS HA 1.0 0.0 4.07 830 726 A 10 ILE HG2% A 11 CYS HB2 1.0 0.0 5.06 831 727 A 28 CYS HB2 A 14 VAL HB 1.0 0.0 4.91 832 728 A 14 VAL HG1% A 28 CYS HB3 1.0 0.0 4.57 833 729 A 5 ALA HB% A 15 ASP HA 1.0 0.0 4.80 834 730 A 8 CYS H A 15 ASP HA 1.0 0.0 4.00 835 731 A 16 GLY HA2 A 26 ARG HB3 1.0 0.0 4.53 836 732 A 16 GLY HA3 A 26 ARG HB2 1.0 0.0 4.60 837 733 A 16 GLY HA3 A 26 ARG HB3 1.0 0.0 4.04 838 734 A 17 LYS HBy A 17 LYS HEx 1.0 0.0 4.01 839 734 A 17 LYS HBx A 17 LYS HEx 1.0 0.0 4.01 840 734 A 17 LYS HEy A 17 LYS HBx 1.0 0.0 4.01 841 734 A 17 LYS HBy A 17 LYS HEy 1.0 0.0 4.01 842 735 A 17 LYS HG3 A 17 LYS HEx 1.0 0.0 4.23 843 735 A 17 LYS HG3 A 17 LYS HEy 1.0 0.0 4.23 844 736 A 27 TYR HB2 A 32 CYS HA 1.0 0.0 5.48 845 737 A 19 LYS HA A 26 ARG HA 1.0 0.0 3.20 846 738 A 19 LYS HA A 20 CYS HB3 1.0 0.0 4.83 847 739 A 19 LYS HA A 6 VAL HG1% 1.0 0.0 5.52 848 740 A 19 LYS HA A 18 TYR HB2 1.0 0.0 5.83 849 741 A 21 PRO HD2 A 20 CYS HA 1.0 0.0 3.41 850 742 A 20 CYS HA A 21 PRO HG3 1.0 0.0 4.53 851 743 A 20 CYS HA A 21 PRO HG2 1.0 0.0 4.45 852 744 A 24 GLY H A 20 CYS HA 1.0 0.0 5.21 853 745 A 20 CYS HB3 A 22 LYS HG2 1.0 0.0 5.93 854 746 A 20 CYS HB3 A 25 VAL HG2% 1.0 0.0 6.00 855 747 A 22 LYS H A 21 PRO HB3 1.0 0.0 4.67 856 748 A 20 CYS HA A 21 PRO HD3 1.0 0.0 3.55 857 749 A 22 LYS HG2 A 21 PRO HG3 1.0 0.0 5.01 858 750 A 22 LYS HG2 A 21 PRO HG2 1.0 0.0 5.41 859 751 A 22 LYS H A 21 PRO HG3 1.0 0.0 4.71 860 752 A 22 LYS HG2 A 22 LYS HA 1.0 0.0 3.79 861 753 A 22 LYS HG2 A 22 LYS HDx 1.0 0.0 2.95 862 753 A 22 LYS HG2 A 22 LYS HDy 1.0 0.0 2.95 863 754 A 23 CYS HA A 23 CYS HB2 1.0 0.0 2.88 864 755 A 23 CYS HA A 23 CYS HB3 1.0 0.0 2.88 865 756 A 25 VAL H A 23 CYS HA 1.0 0.0 5.31 866 757 A 25 VAL HG2% A 24 GLY HA3 1.0 0.0 5.98 867 758 A 24 GLY HA2 A 20 CYS HA 1.0 0.0 5.95 868 759 A 24 GLY HA2 A 23 CYS HA 1.0 0.0 6.00 869 760 A 25 VAL HG1% A 10 ILE HD1% 1.0 0.0 2.88 870 761 A 25 VAL HG1% A 10 ILE HG1x 1.0 0.0 4.12 871 761 A 10 ILE HG1y A 25 VAL HG1% 1.0 0.0 4.12 872 762 A 25 VAL HG1% A 27 TYR HB3 1.0 0.0 4.21 873 763 A 20 CYS HB3 A 25 VAL HG1% 1.0 0.0 3.64 874 764 A 25 VAL HG1% A 9 GLY HA3 1.0 0.0 5.41 875 765 A 26 ARG H A 25 VAL HG1% 1.0 0.0 3.90 876 766 A 25 VAL HG2% A 10 ILE HD1% 1.0 0.0 3.63 877 767 A 25 VAL HG2% A 9 GLY HA3 1.0 0.0 3.50 878 768 A 26 ARG HA A 26 ARG HG3 1.0 0.0 3.76 879 769 A 26 ARG HA A 26 ARG HG2 1.0 0.0 3.76 880 770 A 27 TYR HDx A 26 ARG HA 1.0 0.0 4.40 881 771 A 27 TYR HA A 26 ARG HA 1.0 0.0 4.98 882 772 A 26 ARG HB3 A 26 ARG HD2 1.0 0.0 4.10 883 773 A 27 TYR HA A 16 GLY HA2 1.0 0.0 4.63 884 774 A 27 TYR HA A 8 CYS HA 1.0 0.0 3.60 885 775 A 27 TYR HA A 8 CYS HB2 1.0 0.0 4.26 886 776 A 27 TYR HA A 27 TYR HB3 1.0 0.0 3.01 887 777 A 27 TYR HA A 32 CYS HB2 1.0 0.0 4.54 888 778 A 27 TYR HA A 10 ILE HG1x 1.0 0.0 4.62 889 778 A 10 ILE HG1y A 27 TYR HA 1.0 0.0 4.62 890 779 A 16 GLY HA2 A 28 CYS HA 1.0 0.0 3.30 891 780 A 28 CYS HB2 A 28 CYS HA 1.0 0.0 2.94 892 781 A 28 CYS HB3 A 28 CYS HA 1.0 0.0 3.00 893 782 A 8 CYS HB2 A 28 CYS HA 1.0 0.0 4.13 894 783 A 28 CYS HA A 17 LYS HBx 1.0 0.0 4.80 895 783 A 17 LYS HBy A 28 CYS HA 1.0 0.0 4.80 896 784 A 17 LYS HG2 A 28 CYS HA 1.0 0.0 4.35 897 785 A 14 VAL HG2% A 28 CYS HA 1.0 0.0 4.68 898 786 A 16 GLY HA2 A 28 CYS HB3 1.0 0.0 4.77 899 787 A 27 TYR HDx A 29 SER HA 1.0 0.0 4.36 900 788 A 31 LYS H A 29 SER HA 1.0 0.0 4.50 901 789 A 30 LEU HA A 33 TYR HB3 1.0 0.0 3.19 902 790 A 30 LEU HA A 33 TYR HB2 1.0 0.0 3.51 903 791 A 30 LEU HA A 34 LYS H 1.0 0.0 4.29 904 792 A 35 ASP HB3 A 32 CYS HA 1.0 0.0 3.67 905 793 A 10 ILE HG2% A 32 CYS HA 1.0 0.0 3.30 906 794 A 32 CYS HB3 A 32 CYS H 1.0 0.0 3.89 907 795 A 33 TYR H A 32 CYS HB3 1.0 0.0 4.33 908 796 A 35 ASP HB3 A 37 ALA HB% 1.0 0.0 4.99 909 797 A 38 LYS HB2 A 35 ASP HB3 1.0 0.0 5.23 910 798 A 31 LYS HA A 31 LYS HEx 1.0 0.0 4.34 911 798 A 31 LYS HA A 31 LYS HEy 1.0 0.0 4.34 912 799 A 31 LYS HA A 31 LYS HG3 1.0 0.0 3.82 913 800 A 31 LYS HA A 31 LYS HBx 1.0 0.0 2.85 914 800 A 31 LYS HA A 31 LYS HBy 1.0 0.0 2.85 915 801 A 31 LYS HA A 30 LEU HB3 1.0 0.0 4.24 916 802 A 41 HIS HD2 A 40 VAL HA 1.0 0.0 5.03 917 803 A 41 HIS HD2 A 41 HIS HA 1.0 0.0 3.20 918 804 A 26 ARG HB3 A 26 ARG HD3 1.0 0.0 4.10 919 805 A 10 ILE HD1% A 27 TYR HB2 1.0 0.0 4.03 920 806 A 18 TYR HB3 A 19 LYS HB3 1.0 0.0 5.72 921 807 A 19 LYS HA A 18 TYR HB3 1.0 0.0 5.69 922 808 A 33 TYR H A 27 TYR HB3 1.0 0.0 5.42 923 809 A 27 TYR HB3 A 26 ARG HA 1.0 0.0 6.00 924 810 A 27 TYR HB3 A 32 CYS HA 1.0 0.0 5.49 925 811 A 33 TYR HA A 27 TYR HB3 1.0 0.0 5.57 926 812 A 18 TYR HB2 A 27 TYR HB2 1.0 0.0 5.07 927 813 A 27 TYR HA A 10 ILE HB 1.0 0.0 5.38 928 814 A 25 VAL HG2% A 27 TYR HA 1.0 0.0 5.43 929 815 A 27 TYR HA A 26 ARG HB3 1.0 0.0 5.25 930 816 A 6 VAL HG1% A 27 TYR HA 1.0 0.0 6.00 931 817 A 18 TYR HB2 A 27 TYR HA 1.0 0.0 6.00 932 818 A 11 CYS H A 27 TYR HA 1.0 0.0 6.00 933 819 A 27 TYR HA A 12 ARG H 1.0 0.0 6.00 934 820 A 27 TYR HA A 17 LYS H 1.0 0.0 6.00 935 821 A 27 TYR HA A 33 TYR HA 1.0 0.0 6.00 936 822 A 34 LYS HG3 A 33 TYR HB3 1.0 0.0 5.08 937 823 A 39 HIS HA A 10 ILE HG1x 1.0 0.0 4.75 938 823 A 39 HIS HA A 10 ILE HG1y 1.0 0.0 4.75 939 824 A 33 TYR HDx A 39 HIS HB2 1.0 0.0 6.00 940 825 A 18 TYR HEx A 29 SER HA 1.0 0.0 4.68 941 826 A 27 TYR HDx A 29 SER H 1.0 0.0 3.83 942 827 A 33 TYR H A 27 TYR HDx 1.0 0.0 5.38 943 828 A 28 CYS H A 27 TYR HDx 1.0 0.0 4.66 944 829 A 20 CYS HB3 A 26 ARG H 1.0 0.0 5.50 945 830 A 28 CYS H A 8 CYS HB3 1.0 0.0 4.51 946 831 A 33 TYR H A 32 CYS HB2 1.0 0.0 3.88 947 832 A 24 GLY H A 23 CYS HB3 1.0 0.0 4.85 948 833 A 16 GLY H A 15 ASP HB2 1.0 0.0 4.41 949 834 A 25 VAL H A 19 LYS HDx 1.0 0.0 3.98 950 834 A 19 LYS HDy A 25 VAL H 1.0 0.0 3.98 951 835 A 10 ILE H A 10 ILE HD1% 1.0 0.0 4.37 952 836 A 18 TYR HB2 A 27 TYR HDx 1.0 0.0 4.60 953 837 A 25 VAL HG1% A 27 TYR HDx 1.0 0.0 4.79 954 838 A 10 ILE HD1% A 27 TYR HDx 1.0 0.0 5.45 955 839 A 18 TYR HEx A 18 TYR HB2 1.0 0.0 4.99 956 840 A 18 TYR HDx A 17 LYS HBx 1.0 0.0 4.27 957 840 A 17 LYS HBy A 18 TYR HDx 1.0 0.0 4.27 958 841 A 27 TYR HEx A 18 TYR HB2 1.0 0.0 3.89 959 842 A 33 TYR HB2 A 27 TYR HDx 1.0 0.0 4.38 960 843 A 12 ARG H A 10 ILE HB 1.0 0.0 4.99 961 844 A 14 VAL H A 14 VAL HB 1.0 0.0 4.06 962 845 A 28 CYS HB3 A 29 SER H 1.0 0.0 5.17 963 846 A 33 TYR HDx A 33 TYR HB3 1.0 0.0 3.44 964 847 A 33 TYR HEx A 20 CYS HB2 1.0 0.0 4.19 965 848 A 27 TYR HB2 A 27 TYR HDx 1.0 0.0 3.36 966 849 A 27 TYR HEx A 21 PRO HD3 1.0 0.0 5.31 967 850 A 33 TYR HEx A 21 PRO HD2 1.0 0.0 4.79 968 851 A 35 ASP H A 32 CYS HA 1.0 0.0 4.40 969 852 A 12 ARG H A 10 ILE HA 1.0 0.0 5.55 970 853 A 25 VAL HG1% A 27 TYR HB2 1.0 0.0 5.07 971 854 A 10 ILE HG2% A 39 HIS HB3 1.0 0.0 4.57 972 855 A 32 CYS HB2 A 10 ILE HG1x 1.0 0.0 4.52 973 855 A 10 ILE HG1y A 32 CYS HB2 1.0 0.0 4.52 974 856 A 31 LYS HA A 34 LYS HB2 1.0 0.0 5.54 975 857 A 14 VAL HG2% A 28 CYS HB3 1.0 0.0 4.40 976 858 A 14 VAL HG1% A 13 GLY HA3 1.0 0.0 4.31 977 859 A 36 ALA HA A 37 ALA HB% 1.0 0.0 4.82 978 860 A 26 ARG HB2 A 9 GLY HA3 1.0 0.0 5.15 979 861 A 7 LYS HA A 14 VAL HG2% 1.0 0.0 5.47 980 862 A 13 GLY HA2 A 14 VAL HG2% 1.0 0.0 5.85 981 863 A 7 LYS HA A 6 VAL HG1% 1.0 0.0 5.32 982 864 A 16 GLY HA2 A 17 LYS HBx 1.0 0.0 4.84 983 864 A 17 LYS HBy A 16 GLY HA2 1.0 0.0 4.84 984 865 A 19 LYS HB2 A 19 LYS HEx 1.0 0.0 4.29 985 865 A 19 LYS HEy A 19 LYS HB2 1.0 0.0 4.29 986 866 A 28 CYS HB2 A 14 VAL HG1% 1.0 0.0 4.16 987 867 A 10 ILE HG2% A 11 CYS HB3 1.0 0.0 4.20 988 868 A 33 TYR HB3 A 30 LEU HD2% 1.0 0.0 4.64 989 869 A 1 MET HA A 1 MET HG2 1.0 0.0 3.71 990 869 A 1 MET HA A 1 MET HG3 1.0 0.0 3.71 991 870 A 6 VAL HG1% A 26 ARG HG2 1.0 0.0 4.81 992 870 A 6 VAL HG1% A 26 ARG HG3 1.0 0.0 4.81 993 871 A 6 VAL HG2% A 26 ARG HG2 1.0 0.0 4.57 994 871 A 6 VAL HG2% A 26 ARG HG3 1.0 0.0 4.57 995 872 A 9 GLY H A 26 ARG HG2 1.0 0.0 5.81 996 872 A 9 GLY H A 26 ARG HG3 1.0 0.0 5.81 997 873 A 10 ILE HA A 38 LYS HD3 1.0 0.0 4.03 998 873 A 10 ILE HA A 38 LYS HD2 1.0 0.0 4.03 999 874 A 10 ILE HG2% A 38 LYS HG3 1.0 0.0 4.03 1000 874 A 10 ILE HG2% A 38 LYS HG2 1.0 0.0 4.03 1001 875 A 10 ILE HG2% A 38 LYS HD3 1.0 0.0 3.95 1002 875 A 10 ILE HG2% A 38 LYS HD2 1.0 0.0 3.95 1003 876 A 12 ARG H A 12 ARG HB2 1.0 0.0 3.51 1004 876 A 12 ARG H A 12 ARG HB3 1.0 0.0 3.51 1005 877 A 13 GLY H A 12 ARG HB2 1.0 0.0 4.10 1006 877 A 13 GLY H A 12 ARG HB3 1.0 0.0 4.10 1007 878 A 14 VAL HB A 15 ASP HB3 1.0 0.0 4.60 1008 878 A 14 VAL HB A 15 ASP HB2 1.0 0.0 4.60 1009 879 A 15 ASP H A 15 ASP HB3 1.0 0.0 3.17 1010 879 A 15 ASP H A 15 ASP HB2 1.0 0.0 3.17 1011 880 A 16 GLY H A 15 ASP HB3 1.0 0.0 3.78 1012 880 A 16 GLY H A 15 ASP HB2 1.0 0.0 3.78 1013 881 A 19 LYS H A 26 ARG HD2 1.0 0.0 5.39 1014 881 A 19 LYS H A 26 ARG HD3 1.0 0.0 5.39 1015 882 A 19 LYS HA A 26 ARG HD2 1.0 0.0 3.63 1016 882 A 19 LYS HA A 26 ARG HD3 1.0 0.0 3.63 1017 883 A 19 LYS HG2 A 26 ARG HD2 1.0 0.0 4.18 1018 883 A 19 LYS HG2 A 26 ARG HD3 1.0 0.0 4.18 1019 884 A 19 LYS HG3 A 26 ARG HD2 1.0 0.0 4.94 1020 884 A 19 LYS HG3 A 26 ARG HD3 1.0 0.0 4.94 1021 885 A 22 LYS H A 21 PRO HB3 1.0 0.0 4.05 1022 885 A 22 LYS H A 21 PRO HB2 1.0 0.0 4.05 1023 886 A 22 LYS HA A 21 PRO HB3 1.0 0.0 5.38 1024 886 A 22 LYS HA A 21 PRO HB2 1.0 0.0 5.38 1025 887 A 22 LYS H A 23 CYS HB3 1.0 0.0 5.52 1026 887 A 22 LYS H A 23 CYS HB2 1.0 0.0 5.52 1027 888 A 23 CYS H A 23 CYS HB3 1.0 0.0 3.29 1028 888 A 23 CYS H A 23 CYS HB2 1.0 0.0 3.29 1029 889 A 24 GLY H A 23 CYS HB3 1.0 0.0 4.21 1030 889 A 24 GLY H A 23 CYS HB2 1.0 0.0 4.21 1031 890 A 25 VAL H A 23 CYS HB3 1.0 0.0 5.02 1032 890 A 25 VAL H A 23 CYS HB2 1.0 0.0 5.02 1033 891 A 25 VAL HB A 23 CYS HB3 1.0 0.0 4.64 1034 891 A 25 VAL HB A 23 CYS HB2 1.0 0.0 4.64 1035 892 A 41 HIS HA A 23 CYS HB3 1.0 0.0 4.40 1036 892 A 41 HIS HA A 23 CYS HB2 1.0 0.0 4.40 1037 893 A 23 CYS HB2 A 41 HIS HB2 1.0 0.0 5.03 1038 893 A 23 CYS HB3 A 41 HIS HB2 1.0 0.0 5.03 1039 893 A 41 HIS HB3 A 23 CYS HB3 1.0 0.0 5.03 1040 893 A 23 CYS HB2 A 41 HIS HB3 1.0 0.0 5.03 1041 894 A 41 HIS HD2 A 23 CYS HB3 1.0 0.0 3.00 1042 894 A 41 HIS HD2 A 23 CYS HB2 1.0 0.0 3.00 1043 895 A 26 ARG H A 26 ARG HG2 1.0 0.0 3.81 1044 895 A 26 ARG H A 26 ARG HG3 1.0 0.0 3.81 1045 896 A 26 ARG H A 26 ARG HD2 1.0 0.0 4.73 1046 896 A 26 ARG H A 26 ARG HD3 1.0 0.0 4.73 1047 897 A 26 ARG HA A 26 ARG HD2 1.0 0.0 3.35 1048 897 A 26 ARG HA A 26 ARG HD3 1.0 0.0 3.35 1049 898 A 26 ARG HB3 A 26 ARG HD2 1.0 0.0 3.58 1050 898 A 26 ARG HB3 A 26 ARG HD3 1.0 0.0 3.58 1051 899 A 27 TYR H A 26 ARG HG2 1.0 0.0 5.26 1052 899 A 27 TYR H A 26 ARG HG3 1.0 0.0 5.26 1053 900 A 27 TYR H A 26 ARG HD2 1.0 0.0 4.02 1054 900 A 27 TYR H A 26 ARG HD3 1.0 0.0 4.02 1055 901 A 29 SER H A 29 SER HB2 1.0 0.0 3.61 1056 901 A 29 SER H A 29 SER HB3 1.0 0.0 3.61 1057 902 A 31 LYS H A 29 SER HB2 1.0 0.0 3.18 1058 902 A 31 LYS H A 29 SER HB3 1.0 0.0 3.18 1059 903 A 32 CYS H A 29 SER HB2 1.0 0.0 4.81 1060 903 A 32 CYS H A 29 SER HB3 1.0 0.0 4.81 1061 904 A 30 LEU HA A 30 LEU HD2% 1.0 0.0 3.05 1062 904 A 30 LEU HA A 30 LEU HD1% 1.0 0.0 3.05 1063 905 A 31 LYS H A 30 LEU HD2% 1.0 0.0 4.51 1064 905 A 31 LYS H A 30 LEU HD1% 1.0 0.0 4.51 1065 906 A 33 TYR HA A 30 LEU HD2% 1.0 0.0 5.27 1066 906 A 33 TYR HA A 30 LEU HD1% 1.0 0.0 5.27 1067 907 A 33 TYR HB2 A 30 LEU HD2% 1.0 0.0 5.11 1068 907 A 33 TYR HB2 A 30 LEU HD1% 1.0 0.0 5.11 1069 908 A 33 TYR HB3 A 30 LEU HD2% 1.0 0.0 3.72 1070 908 A 33 TYR HB3 A 30 LEU HD1% 1.0 0.0 3.72 1071 909 A 33 TYR HDx A 30 LEU HD2% 1.0 0.0 4.38 1072 909 A 33 TYR HDx A 30 LEU HD1% 1.0 0.0 4.38 1073 910 A 33 TYR HEx A 30 LEU HD2% 1.0 0.0 5.51 1074 910 A 33 TYR HEx A 30 LEU HD1% 1.0 0.0 5.51 1075 911 A 34 LYS H A 30 LEU HD2% 1.0 0.0 4.51 1076 911 A 34 LYS H A 30 LEU HD1% 1.0 0.0 4.51 1077 912 A 34 LYS HA A 30 LEU HD2% 1.0 0.0 4.86 1078 912 A 34 LYS HA A 30 LEU HD1% 1.0 0.0 4.86 1079 913 A 34 LYS HG2 A 30 LEU HD2% 1.0 0.0 5.05 1080 913 A 34 LYS HG2 A 30 LEU HD1% 1.0 0.0 5.05 1081 914 A 34 LYS HG3 A 30 LEU HD2% 1.0 0.0 3.78 1082 914 A 34 LYS HG3 A 30 LEU HD1% 1.0 0.0 3.78 1083 915 A 30 LEU HD2% A 34 LYS HEx 1.0 0.0 5.39 1084 915 A 30 LEU HD1% A 34 LYS HEx 1.0 0.0 5.39 1085 915 A 34 LYS HEy A 30 LEU HD2% 1.0 0.0 5.39 1086 915 A 34 LYS HEy A 30 LEU HD1% 1.0 0.0 5.39 1087 916 A 37 ALA HA A 40 VAL HG2% 1.0 0.0 4.61 1088 916 A 37 ALA HA A 40 VAL HG1% 1.0 0.0 4.61 1089 917 A 38 LYS H A 38 LYS HG3 1.0 0.0 3.63 1090 917 A 38 LYS H A 38 LYS HG2 1.0 0.0 3.63 1091 918 A 38 LYS H A 38 LYS HD3 1.0 0.0 4.62 1092 918 A 38 LYS H A 38 LYS HD2 1.0 0.0 4.62 1093 919 A 38 LYS H A 40 VAL HG2% 1.0 0.0 4.78 1094 919 A 38 LYS H A 40 VAL HG1% 1.0 0.0 4.78 1095 920 A 38 LYS HA A 38 LYS HG3 1.0 0.0 3.06 1096 920 A 38 LYS HA A 38 LYS HG2 1.0 0.0 3.06 1097 921 A 38 LYS HA A 40 VAL HG2% 1.0 0.0 4.15 1098 921 A 38 LYS HA A 40 VAL HG1% 1.0 0.0 4.15 1099 922 A 38 LYS HEy A 38 LYS HG3 1.0 0.0 3.21 1100 922 A 38 LYS HG2 A 38 LYS HEx 1.0 0.0 3.21 1101 922 A 38 LYS HEy A 38 LYS HG2 1.0 0.0 3.21 1102 922 A 38 LYS HEx A 38 LYS HG3 1.0 0.0 3.21 1103 923 A 39 HIS H A 38 LYS HG3 1.0 0.0 4.73 1104 923 A 39 HIS H A 38 LYS HG2 1.0 0.0 4.73 1105 924 A 39 HIS H A 38 LYS HD3 1.0 0.0 5.64 1106 924 A 39 HIS H A 38 LYS HD2 1.0 0.0 5.64 1107 925 A 39 HIS H A 40 VAL HG2% 1.0 0.0 4.06 1108 925 A 39 HIS H A 40 VAL HG1% 1.0 0.0 4.06 1109 926 A 39 HIS HA A 40 VAL HG2% 1.0 0.0 4.70 1110 926 A 39 HIS HA A 40 VAL HG1% 1.0 0.0 4.70 1111 927 A 40 VAL H A 40 VAL HG2% 1.0 0.0 3.12 1112 927 A 40 VAL H A 40 VAL HG1% 1.0 0.0 3.12 1113 928 A 40 VAL HA A 40 VAL HG2% 1.0 0.0 3.09 1114 928 A 40 VAL HA A 40 VAL HG1% 1.0 0.0 3.09 1115 929 A 41 HIS H A 40 VAL HG2% 1.0 0.0 4.56 1116 929 A 40 VAL HG1% A 41 HIS H 1.0 0.0 4.56 1117 930 A 44 SER H A 43 GLU HB3 1.0 0.0 4.01 1118 930 A 44 SER H A 43 GLU HB2 1.0 0.0 4.01 1119 931 A 45 GLU H A 45 GLU HB2 1.0 0.0 3.67 1120 931 A 45 GLU H A 45 GLU HB3 1.0 0.0 3.67 1121 932 A 46 GLN H A 45 GLU HB2 1.0 0.0 4.21 1122 932 A 46 GLN H A 45 GLU HB3 1.0 0.0 4.21 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 undefined _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 8 CYS CB B 1 ZN ZN 1.0 0.0 3.80 2 2 B 1 ZN ZN A 11 CYS CB 1.0 0.0 3.80 3 3 B 1 ZN ZN A 28 CYS CB 1.0 0.0 3.80 4 4 B 1 ZN ZN A 32 CYS CB 1.0 0.0 3.80 5 5 B 1 ZN ZN A 8 CYS SG 1.0 0.0 2.60 6 6 B 1 ZN ZN A 11 CYS SG 1.0 0.0 2.60 7 7 B 1 ZN ZN A 28 CYS SG 1.0 0.0 2.60 8 8 B 1 ZN ZN A 32 CYS SG 1.0 0.0 2.60 9 9 A 20 CYS CB 3 1 ZN ZN 1.0 0.0 3.80 10 10 3 1 ZN ZN A 23 CYS CB 1.0 0.0 3.80 11 11 3 1 ZN ZN A 20 CYS SG 1.0 0.0 2.60 12 12 3 1 ZN ZN A 23 CYS SG 1.0 0.0 2.60 13 13 3 1 ZN ZN A 39 HIS NE2 1.0 0.0 2.30 14 14 3 1 ZN ZN A 41 HIS NE2 1.0 0.0 2.30 15 15 A 8 CYS SG A 11 CYS SG 1.0 0.0 4.15 16 16 A 8 CYS SG A 28 CYS SG 1.0 0.0 4.15 17 17 A 8 CYS SG A 32 CYS SG 1.0 0.0 4.15 18 18 A 11 CYS SG A 28 CYS SG 1.0 0.0 4.15 19 19 A 11 CYS SG A 32 CYS SG 1.0 0.0 4.15 20 20 A 28 CYS SG A 32 CYS SG 1.0 0.0 4.15 21 21 A 20 CYS SG A 23 CYS SG 1.0 0.0 4.15 22 22 A 20 CYS SG A 39 HIS NE2 1.0 0.0 4.15 23 23 A 23 CYS SG A 39 HIS NE2 1.0 0.0 4.15 24 24 A 20 CYS SG A 41 HIS NE2 1.0 0.0 4.15 25 25 A 23 CYS SG A 41 HIS NE2 1.0 0.0 4.15 26 26 A 39 HIS NE2 A 41 HIS NE2 1.0 0.0 4.15 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 8 CYS N A 8 CYS CA A 8 CYS CB A 8 CYS SG 1.0 -189.0 -156.4 CHI1 2 2 A 11 CYS N A 11 CYS CA A 11 CYS CB A 11 CYS SG 1.0 62.4 94.8 CHI1 3 3 A 20 CYS N A 20 CYS CA A 20 CYS CB A 20 CYS SG 1.0 -181.2 -148.4 CHI1 4 4 A 23 CYS N A 23 CYS CA A 23 CYS CB A 23 CYS SG 1.0 40.7 71.3 CHI1 5 5 A 28 CYS N A 28 CYS CA A 28 CYS CB A 28 CYS SG 1.0 42.6 73.4 CHI1 6 6 A 32 CYS N A 32 CYS CA A 32 CYS CB A 32 CYS SG 1.0 -65.3 -33.3 CHI1 7 7 A 39 HIS N A 39 HIS CA A 39 HIS CB A 39 HIS CG 1.0 -185.2 -148.4 CHI1 8 8 A 39 HIS CA A 39 HIS CB A 39 HIS CG A 39 HIS ND1 1.0 -171.5 -133.3 CHI2 9 9 A 41 HIS N A 41 HIS CA A 41 HIS CB A 41 HIS CG 1.0 -91.2 -53.4 CHI1 10 10 A 41 HIS CA A 41 HIS CB A 41 HIS CG A 41 HIS ND1 1.0 136.8 175.8 CHI2 stop_ save_