data_nef_c26691_2n94 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 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 36 HIS NE2 2 2 ZN ZN 1 8 CYS SG 2 1 ZN ZN 1 32 CYS SG 2 1 ZN ZN 1 42 CYS SG 2 2 ZN ZN 1 11 CYS SG 2 1 ZN ZN 1 23 CYS SG 2 2 ZN ZN 1 28 CYS SG 2 1 ZN ZN 1 20 CYS SG 2 2 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 ALA middle . . 6 A 3 VAL middle . . 7 A 4 LEU middle . . 8 A 5 CYS middle -HG . 9 A 6 GLY middle . false 10 A 7 VAL middle . . 11 A 8 CYS middle -HG . 12 A 9 GLY middle . false 13 A 10 ILE middle . . 14 A 11 LYS middle . . 15 A 12 GLU middle . . 16 A 13 PHE middle . . 17 A 14 LYS middle . . 18 A 15 TYR middle . . 19 A 16 LYS middle . . 20 A 17 CYS middle -HG . 21 A 18 PRO middle . false 22 A 19 ARG middle . . 23 A 20 CYS middle -HG . 24 A 21 LEU middle . . 25 A 22 VAL middle . . 26 A 23 GLN middle . . 27 A 24 THR middle . . 28 A 25 CYS middle -HG . 29 A 26 SER middle . . 30 A 27 LEU middle . . 31 A 28 GLU middle . . 32 A 29 CYS middle -HG . 33 A 30 SER middle . . 34 A 31 LYS middle . . 35 A 32 LYS middle . . 36 A 33 HIS middle -HE2 . 37 A 34 LYS middle . . 38 A 35 THR middle . . 39 A 36 ARG middle . . 40 A 37 ASP middle . . 41 A 38 ASN middle . . 42 A 39 CYS middle -HG . 43 A 40 SER middle . . 44 A 41 GLY middle . false 45 A 42 GLN middle . . 46 A 43 THR middle . . 47 A 44 HIS middle . . 48 A 45 ASP end . . 49 B 1 ZN . . . 50 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 -2 GLY HAx H 1 3.972 0.000 A -2 GLY HAy H 1 3.972 0.000 A -2 GLY CA C 13 43.514 0.000 A -1 PRO HA H 1 4.455 0.002 A -1 PRO HB2 H 1 2.258 0.003 A -1 PRO HB3 H 1 1.84 0.005 A -1 PRO HDx H 1 3.558 0.002 A -1 PRO HDy H 1 3.558 0.002 A -1 PRO HG2 H 1 1.994 0.003 A -1 PRO HG3 H 1 1.921 0.003 A -1 PRO CA C 13 63.062 0.024 A -1 PRO CB C 13 32.19 0.104 A -1 PRO CD C 13 49.744 0.043 A -1 PRO CG C 13 26.959 0.087 A 0 HIS HA H 1 4.421 0.003 A 0 HIS HB2 H 1 2.696 0.003 A 0 HIS HB3 H 1 2.56 0.005 A 0 HIS CA C 13 56.01 0.000 A 0 HIS CB C 13 42.175 0.019 A 1 MET HA H 1 4.362 0.002 A 1 MET HB2 H 1 2.024 0.007 A 1 MET HB3 H 1 1.951 0.007 A 1 MET HE% H 1 2.083 0.002 A 1 MET HG2 H 1 2.541 0.007 A 1 MET HG3 H 1 2.48 0.006 A 1 MET CA C 13 55.761 0.037 A 1 MET CB C 13 33.104 0.011 A 1 MET CE C 13 16.964 0.010 A 1 MET CG C 13 31.976 0.057 A 2 ALA H H 1 8.359 0.001 A 2 ALA HA H 1 4.329 0.004 A 2 ALA HB% H 1 1.365 0.003 A 2 ALA CA C 13 52.775 0.052 A 2 ALA CB C 13 19.432 0.023 A 2 ALA N N 15 124.722 0.000 A 3 VAL H H 1 8.061 0.006 A 3 VAL HA H 1 4.225 0.006 A 3 VAL HB H 1 2.264 0.004 A 3 VAL HGx% H 1 0.925 0.002 A 3 VAL HGy% H 1 0.853 0.005 A 3 VAL C C 13 177.531 0.000 A 3 VAL CA C 13 62.086 0.084 A 3 VAL CB C 13 32.177 0.068 A 3 VAL CG1 C 13 20.351 0.092 A 3 VAL CG2 C 13 21.552 0.058 A 3 VAL N N 15 117.243 0.027 A 4 LEU H H 1 7.82 0.009 A 4 LEU HA H 1 4.42 0.004 A 4 LEU HB2 H 1 1.68 0.002 A 4 LEU HB3 H 1 1.051 0.008 A 4 LEU HDx% H 1 0.815 0.005 A 4 LEU HDy% H 1 0.544 0.004 A 4 LEU HG H 1 1.592 0.006 A 4 LEU C C 13 175.402 0.000 A 4 LEU CA C 13 54.331 0.057 A 4 LEU CB C 13 43.477 0.043 A 4 LEU CD1 C 13 25.17 0.081 A 4 LEU CD2 C 13 22.316 0.064 A 4 LEU CG C 13 26.807 0.076 A 4 LEU N N 15 123.475 0.034 A 5 CYS H H 1 8.681 0.006 A 5 CYS HA H 1 3.986 0.010 A 5 CYS HB2 H 1 3.474 0.004 A 5 CYS HB3 H 1 2.941 0.004 A 5 CYS C C 13 176.369 0.000 A 5 CYS CA C 13 60.16 0.126 A 5 CYS CB C 13 32.053 0.030 A 5 CYS N N 15 121.211 0.021 A 6 GLY H H 1 9.517 0.007 A 6 GLY HA2 H 1 4.21 0.004 A 6 GLY HA3 H 1 3.842 0.003 A 6 GLY C C 13 177.243 0.000 A 6 GLY CA C 13 46.488 0.009 A 6 GLY N N 15 117.703 0.023 A 7 VAL H H 1 9.173 0.004 A 7 VAL HA H 1 4.173 0.004 A 7 VAL HB H 1 2.273 0.005 A 7 VAL HGx% H 1 1.029 0.005 A 7 VAL HGy% H 1 0.955 0.002 A 7 VAL C C 13 173.473 0.000 A 7 VAL CA C 13 64.787 0.075 A 7 VAL CB C 13 32.701 0.062 A 7 VAL CG1 C 13 21.612 0.056 A 7 VAL CG2 C 13 21.539 0.045 A 7 VAL N N 15 122.967 0.014 A 8 CYS H H 1 8.515 0.003 A 8 CYS HA H 1 4.811 0.003 A 8 CYS HB2 H 1 3.129 0.005 A 8 CYS HB3 H 1 2.977 0.006 A 8 CYS C C 13 176.335 0.000 A 8 CYS CA C 13 59.518 0.076 A 8 CYS CB C 13 32.011 0.032 A 8 CYS N N 15 118.853 0.019 A 9 GLY H H 1 7.39 0.004 A 9 GLY HAx H 1 4.096 0.003 A 9 GLY HAy H 1 4.096 0.003 A 9 GLY C C 13 177.026 0.000 A 9 GLY CA C 13 46.906 0.060 A 9 GLY N N 15 110.571 0.013 A 10 ILE H H 1 8.094 0.003 A 10 ILE HA H 1 4.533 0.006 A 10 ILE HB H 1 2.097 0.006 A 10 ILE HD1% H 1 0.897 0.004 A 10 ILE HG12 H 1 1.522 0.005 A 10 ILE HG13 H 1 1.167 0.005 A 10 ILE HG2% H 1 0.962 0.006 A 10 ILE C C 13 173.968 0.000 A 10 ILE CA C 13 62.354 0.062 A 10 ILE CB C 13 40.93 0.038 A 10 ILE CD1 C 13 13.389 0.036 A 10 ILE CG1 C 13 27.205 0.047 A 10 ILE CG2 C 13 17.696 0.098 A 10 ILE N N 15 115.63 0.036 A 11 LYS HA H 1 4.635 0.000 A 11 LYS HBx H 1 1.855 0.003 A 11 LYS HBy H 1 1.855 0.003 A 11 LYS HDx H 1 1.922 0.005 A 11 LYS HDy H 1 1.922 0.005 A 11 LYS HEx H 1 3.083 0.004 A 11 LYS HEy H 1 3.083 0.004 A 11 LYS HG2 H 1 1.569 0.008 A 11 LYS HG3 H 1 1.495 0.005 A 11 LYS CA C 13 54.727 0.088 A 11 LYS CB C 13 28.997 0.044 A 11 LYS CD C 13 35.734 0.034 A 11 LYS CE C 13 42.445 0.046 A 11 LYS CG C 13 25.574 0.037 A 12 GLU H H 1 8.729 0.013 A 12 GLU HA H 1 4.316 0.004 A 12 GLU HBx H 1 1.901 0.007 A 12 GLU HBy H 1 1.901 0.007 A 12 GLU HGx H 1 2.258 0.005 A 12 GLU HGy H 1 2.258 0.005 A 12 GLU C C 13 175.309 0.000 A 12 GLU CA C 13 57.059 0.062 A 12 GLU CB C 13 30.517 0.013 A 12 GLU CG C 13 36.723 0.029 A 12 GLU N N 15 122.371 0.020 A 13 PHE H H 1 8.407 0.005 A 13 PHE HA H 1 3.964 0.008 A 13 PHE HB2 H 1 3.021 0.005 A 13 PHE HB3 H 1 2.573 0.013 A 13 PHE HDx H 1 7.182 0.003 A 13 PHE HDy H 1 7.182 0.003 A 13 PHE HEx H 1 7.18 0.007 A 13 PHE HEy H 1 7.18 0.007 A 13 PHE C C 13 176.102 0.000 A 13 PHE CA C 13 57.624 0.076 A 13 PHE CB C 13 39.665 0.041 A 13 PHE CD1 C 13 132.823 0.000 A 13 PHE CE1 C 13 130.901 0.000 A 13 PHE N N 15 120.479 0.024 A 14 LYS H H 1 8.636 0.007 A 14 LYS HA H 1 3.918 0.006 A 14 LYS HBx H 1 1.113 0.006 A 14 LYS HBy H 1 1.113 0.006 A 14 LYS HDx H 1 1.473 0.002 A 14 LYS HDy H 1 1.473 0.002 A 14 LYS HEx H 1 2.87 0.006 A 14 LYS HEy H 1 2.87 0.006 A 14 LYS HG2 H 1 1.009 0.004 A 14 LYS HG3 H 1 0.863 0.004 A 14 LYS C C 13 172.532 0.000 A 14 LYS CA C 13 56.717 0.057 A 14 LYS CB C 13 36.794 0.045 A 14 LYS CD C 13 28.9 0.027 A 14 LYS CE C 13 42.206 0.017 A 14 LYS CG C 13 24.452 0.048 A 14 LYS N N 15 119.32 0.025 A 15 TYR H H 1 8.483 0.003 A 15 TYR HA H 1 4.962 0.005 A 15 TYR HB2 H 1 3.05 0.005 A 15 TYR HB3 H 1 2.873 0.005 A 15 TYR HDx H 1 6.97 0.006 A 15 TYR HDy H 1 6.97 0.006 A 15 TYR HEx H 1 6.684 0.005 A 15 TYR HEy H 1 6.684 0.005 A 15 TYR C C 13 174.48 0.000 A 15 TYR CA C 13 56.477 0.043 A 15 TYR CB C 13 41.109 0.036 A 15 TYR CD1 C 13 133.512 0.031 A 15 TYR CE1 C 13 117.655 0.053 A 15 TYR N N 15 119.016 0.020 A 16 LYS H H 1 8.561 0.003 A 16 LYS HA H 1 4.86 0.003 A 16 LYS HBx H 1 1.562 0.010 A 16 LYS HBy H 1 1.562 0.010 A 16 LYS HDx H 1 1.591 0.003 A 16 LYS HDy H 1 1.591 0.003 A 16 LYS HEx H 1 2.847 0.015 A 16 LYS HEy H 1 2.847 0.015 A 16 LYS HG2 H 1 1.263 0.006 A 16 LYS HG3 H 1 1.131 0.006 A 16 LYS C C 13 174.626 0.000 A 16 LYS CA C 13 54.979 0.043 A 16 LYS CB C 13 35.614 0.031 A 16 LYS CD C 13 29.624 0.053 A 16 LYS CE C 13 42.12 0.077 A 16 LYS CG C 13 24.969 0.054 A 16 LYS N N 15 120.639 0.013 A 17 CYS H H 1 8.61 0.003 A 17 CYS HA H 1 4.614 0.011 A 17 CYS HBx H 1 3.116 0.013 A 17 CYS HBy H 1 3.116 0.013 A 17 CYS C C 13 175.6 0.000 A 17 CYS CA C 13 56.578 0.261 A 17 CYS CB C 13 30.532 0.021 A 17 CYS N N 15 129.851 0.020 A 18 PRO HA H 1 4.365 0.004 A 18 PRO HB2 H 1 2.376 0.003 A 18 PRO HB3 H 1 1.907 0.006 A 18 PRO HDx H 1 4.092 0.003 A 18 PRO HDy H 1 4.092 0.003 A 18 PRO HG2 H 1 2.123 0.004 A 18 PRO HG3 H 1 2.013 0.003 A 18 PRO CA C 13 64.307 0.070 A 18 PRO CB C 13 32.521 0.050 A 18 PRO CD C 13 51.358 0.038 A 18 PRO CG C 13 27.458 0.040 A 19 ARG H H 1 8.517 0.004 A 19 ARG HA H 1 4.286 0.005 A 19 ARG HB2 H 1 1.677 0.004 A 19 ARG HB3 H 1 1.579 0.004 A 19 ARG HD2 H 1 3.469 0.005 A 19 ARG HD3 H 1 3.326 0.004 A 19 ARG HGx H 1 1.56 0.005 A 19 ARG HGy H 1 1.56 0.005 A 19 ARG C C 13 176.802 0.000 A 19 ARG CA C 13 57.648 0.058 A 19 ARG CB C 13 31.745 0.061 A 19 ARG CD C 13 43.075 0.021 A 19 ARG CG C 13 27.944 0.058 A 19 ARG N N 15 118.939 0.017 A 20 CYS H H 1 7.821 0.005 A 20 CYS HA H 1 4.973 0.003 A 20 CYS HB2 H 1 3.296 0.005 A 20 CYS HB3 H 1 2.802 0.004 A 20 CYS C C 13 176.205 0.000 A 20 CYS CA C 13 58.642 0.053 A 20 CYS CB C 13 32.047 0.014 A 20 CYS N N 15 117.499 0.023 A 21 LEU H H 1 7.899 0.004 A 21 LEU HA H 1 4.107 0.003 A 21 LEU HB2 H 1 2.116 0.003 A 21 LEU HB3 H 1 1.58 0.005 A 21 LEU HDx% H 1 0.852 0.005 A 21 LEU HDy% H 1 0.797 0.005 A 21 LEU HG H 1 1.411 0.004 A 21 LEU C C 13 175.579 0.000 A 21 LEU CA C 13 57.136 0.031 A 21 LEU CB C 13 38.886 0.019 A 21 LEU CD1 C 13 25.067 0.089 A 21 LEU CD2 C 13 22.768 0.070 A 21 LEU CG C 13 27.57 0.089 A 21 LEU N N 15 117.65 0.017 A 22 VAL H H 1 8.285 0.002 A 22 VAL HA H 1 3.73 0.003 A 22 VAL HB H 1 1.45 0.006 A 22 VAL HGx% H 1 0.999 0.008 A 22 VAL HGy% H 1 0.341 0.005 A 22 VAL C C 13 176.347 0.000 A 22 VAL CA C 13 65.062 0.037 A 22 VAL CB C 13 31.549 0.066 A 22 VAL CG1 C 13 24.648 0.071 A 22 VAL CG2 C 13 20.227 0.049 A 22 VAL N N 15 123.023 0.026 A 23 GLN H H 1 8.579 0.004 A 23 GLN HA H 1 5.193 0.004 A 23 GLN HB2 H 1 1.679 0.006 A 23 GLN HB3 H 1 1.539 0.005 A 23 GLN HE21 H 1 6.382 0.008 A 23 GLN HG2 H 1 2.2 0.003 A 23 GLN HG3 H 1 1.696 0.007 A 23 GLN C C 13 175.193 0.000 A 23 GLN CA C 13 54.051 0.032 A 23 GLN CB C 13 29.549 0.071 A 23 GLN CG C 13 34.209 0.043 A 23 GLN N N 15 128.514 0.028 A 23 GLN NE2 N 15 109.282 0.046 A 24 THR H H 1 9.234 0.002 A 24 THR HA H 1 6.627 0.004 A 24 THR HB H 1 4.333 0.004 A 24 THR HG2% H 1 1.015 0.006 A 24 THR C C 13 175.958 0.000 A 24 THR CA C 13 59.429 0.044 A 24 THR CB C 13 73.998 0.048 A 24 THR CG2 C 13 22.667 0.059 A 24 THR N N 15 112.072 0.010 A 25 CYS H H 1 9.478 0.002 A 25 CYS HA H 1 4.771 0.006 A 25 CYS HB2 H 1 3.203 0.005 A 25 CYS HB3 H 1 2.677 0.005 A 25 CYS C C 13 177.213 0.000 A 25 CYS CA C 13 60.01 0.261 A 25 CYS CB C 13 35.179 0.026 A 25 CYS N N 15 121.322 0.015 A 26 SER H H 1 7.421 0.003 A 26 SER HA H 1 5.045 0.004 A 26 SER HB2 H 1 4.41 0.002 A 26 SER HB3 H 1 4.313 0.003 A 26 SER C C 13 174.806 0.000 A 26 SER CA C 13 57.56 0.061 A 26 SER CB C 13 64.875 0.046 A 26 SER N N 15 111.216 0.018 A 27 LEU HA H 1 4.019 0.004 A 27 LEU HB2 H 1 1.766 0.005 A 27 LEU HB3 H 1 1.587 0.005 A 27 LEU HDx% H 1 0.914 0.002 A 27 LEU HDy% H 1 0.703 0.003 A 27 LEU HG H 1 1.643 0.005 A 27 LEU CA C 13 57.797 0.021 A 27 LEU CB C 13 40.998 0.018 A 27 LEU CD1 C 13 24.339 0.063 A 27 LEU CD2 C 13 23.319 0.078 A 27 LEU CG C 13 27.26 0.032 A 28 GLU H H 1 8.875 0.003 A 28 GLU HA H 1 4.039 0.003 A 28 GLU HB2 H 1 2.227 0.004 A 28 GLU HB3 H 1 2.005 0.005 A 28 GLU HG2 H 1 2.461 0.009 A 28 GLU HG3 H 1 2.282 0.004 A 28 GLU C C 13 179.56 0.000 A 28 GLU CA C 13 60.929 0.022 A 28 GLU CB C 13 28.926 0.028 A 28 GLU CG C 13 36.901 0.017 A 28 GLU N N 15 119.798 0.018 A 29 CYS H H 1 8.116 0.003 A 29 CYS HA H 1 4.249 0.005 A 29 CYS HB2 H 1 3.018 0.005 A 29 CYS HB3 H 1 2.856 0.004 A 29 CYS C C 13 179.893 0.000 A 29 CYS CA C 13 66.081 0.056 A 29 CYS CB C 13 30.949 0.028 A 29 CYS N N 15 120.451 0.012 A 30 SER H H 1 8.666 0.004 A 30 SER HA H 1 4.247 0.003 A 30 SER HB2 H 1 4.135 0.004 A 30 SER HB3 H 1 4.014 0.004 A 30 SER C C 13 178.198 0.000 A 30 SER CA C 13 63.184 0.079 A 30 SER CB C 13 62.658 0.105 A 30 SER N N 15 117.222 0.024 A 31 LYS H H 1 8.541 0.005 A 31 LYS HA H 1 3.991 0.004 A 31 LYS HBx H 1 1.981 0.004 A 31 LYS HBy H 1 1.981 0.004 A 31 LYS HDx H 1 1.685 0.002 A 31 LYS HDy H 1 1.685 0.002 A 31 LYS HEx H 1 2.937 0.006 A 31 LYS HEy H 1 2.937 0.006 A 31 LYS HG2 H 1 1.608 0.003 A 31 LYS HG3 H 1 1.439 0.004 A 31 LYS C C 13 177.28 0.000 A 31 LYS CA C 13 60.302 0.094 A 31 LYS CB C 13 32.209 0.053 A 31 LYS CD C 13 29.606 0.009 A 31 LYS CE C 13 42.209 0.003 A 31 LYS CG C 13 25.557 0.066 A 31 LYS N N 15 122.734 0.023 A 32 LYS H H 1 7.932 0.005 A 32 LYS HA H 1 4.134 0.004 A 32 LYS HB2 H 1 2.02 0.004 A 32 LYS HB3 H 1 1.929 0.007 A 32 LYS HDx H 1 1.671 0.014 A 32 LYS HDy H 1 1.671 0.014 A 32 LYS HEx H 1 2.949 0.003 A 32 LYS HEy H 1 2.949 0.003 A 32 LYS HG2 H 1 1.614 0.005 A 32 LYS HG3 H 1 1.442 0.005 A 32 LYS C C 13 179.333 0.000 A 32 LYS CA C 13 59.299 0.047 A 32 LYS CB C 13 32.593 0.027 A 32 LYS CD C 13 29.383 0.010 A 32 LYS CE C 13 42.29 0.000 A 32 LYS CG C 13 25.748 0.049 A 32 LYS N N 15 119.963 0.019 A 33 HIS H H 1 8.426 0.003 A 33 HIS HA H 1 4.302 0.006 A 33 HIS HB2 H 1 3.369 0.013 A 33 HIS HB3 H 1 3.147 0.015 A 33 HIS HD2 H 1 7.059 0.046 A 33 HIS HE1 H 1 8.033 0.002 A 33 HIS C C 13 178.772 0.000 A 33 HIS CA C 13 58.398 0.055 A 33 HIS CB C 13 27.396 0.015 A 33 HIS CD2 C 13 120.098 0.030 A 33 HIS CE1 C 13 141.034 0.035 A 33 HIS N N 15 118.699 0.026 A 33 HIS ND1 N 15 216.421 0.015 A 33 HIS NE2 N 15 174.615 0.029 A 34 LYS H H 1 7.42 0.005 A 34 LYS HA H 1 3.638 0.003 A 34 LYS HBx H 1 1.9 0.004 A 34 LYS HBy H 1 1.9 0.004 A 34 LYS HDx H 1 1.673 0.005 A 34 LYS HDy H 1 1.673 0.005 A 34 LYS HEx H 1 2.945 0.002 A 34 LYS HEy H 1 2.945 0.002 A 34 LYS HG2 H 1 1.659 0.004 A 34 LYS HG3 H 1 1.205 0.009 A 34 LYS CA C 13 60.169 0.053 A 34 LYS CB C 13 32.235 0.058 A 34 LYS CD C 13 29.801 0.049 A 34 LYS CE C 13 42.215 0.008 A 34 LYS CG C 13 25.415 0.057 A 34 LYS N N 15 118.268 0.025 A 35 THR HA H 1 4.106 0.003 A 35 THR HB H 1 4.173 0.006 A 35 THR HG2% H 1 1.257 0.004 A 35 THR CA C 13 64.364 0.046 A 35 THR CB C 13 69.192 0.026 A 35 THR CG2 C 13 22.056 0.037 A 36 ARG HA H 1 4.05 0.003 A 36 ARG HBx H 1 1.86 0.013 A 36 ARG HBy H 1 1.86 0.013 A 36 ARG HD2 H 1 3.318 0.005 A 36 ARG HD3 H 1 3.01 0.004 A 36 ARG HG2 H 1 1.83 0.006 A 36 ARG HG3 H 1 1.647 0.006 A 36 ARG CA C 13 59.034 0.040 A 36 ARG CB C 13 31.467 0.055 A 36 ARG CD C 13 43.861 0.070 A 36 ARG CG C 13 26.104 0.037 A 37 ASP H H 1 8.011 0.003 A 37 ASP HA H 1 4.786 0.003 A 37 ASP HB2 H 1 2.922 0.006 A 37 ASP HB3 H 1 2.56 0.006 A 37 ASP C C 13 177.616 0.000 A 37 ASP CA C 13 54.135 0.041 A 37 ASP CB C 13 40.36 0.094 A 37 ASP N N 15 113.984 0.020 A 38 ASN H H 1 7.474 0.006 A 38 ASN HA H 1 4.342 0.003 A 38 ASN HB2 H 1 3.072 0.005 A 38 ASN HB3 H 1 2.668 0.006 A 38 ASN HD21 H 1 7.479 0.004 A 38 ASN HD22 H 1 6.736 0.002 A 38 ASN C C 13 175.772 0.000 A 38 ASN CA C 13 54.024 0.033 A 38 ASN CB C 13 37.225 0.044 A 38 ASN N N 15 117.891 0.014 A 38 ASN ND2 N 15 111.992 0.015 A 39 CYS H H 1 7.696 0.003 A 39 CYS HA H 1 4.511 0.008 A 39 CYS HB2 H 1 2.456 0.005 A 39 CYS HB3 H 1 2.239 0.003 A 39 CYS C C 13 173.534 0.000 A 39 CYS CA C 13 58.346 0.074 A 39 CYS CB C 13 30.842 0.029 A 39 CYS N N 15 120.336 0.017 A 40 SER H H 1 8.471 0.013 A 40 SER HA H 1 4.306 0.006 A 40 SER HB2 H 1 3.97 0.005 A 40 SER HB3 H 1 3.904 0.009 A 40 SER C C 13 175.553 0.000 A 40 SER CA C 13 59.143 0.051 A 40 SER CB C 13 64.057 0.020 A 40 SER N N 15 121.737 0.033 A 41 GLY HA2 H 1 4.098 0.004 A 41 GLY HA3 H 1 3.954 0.004 A 41 GLY CA C 13 45.91 0.009 A 42 GLN H H 1 8.011 0.002 A 42 GLN HA H 1 4.554 0.004 A 42 GLN HB2 H 1 2.058 0.006 A 42 GLN HB3 H 1 1.9 0.004 A 42 GLN HE21 H 1 7.432 0.004 A 42 GLN HE22 H 1 6.8 0.003 A 42 GLN HGx H 1 2.311 0.004 A 42 GLN HGy H 1 2.311 0.004 A 42 GLN C C 13 173.004 0.000 A 42 GLN CA C 13 55.08 0.033 A 42 GLN CB C 13 30.613 0.049 A 42 GLN CG C 13 33.572 0.051 A 42 GLN N N 15 118.668 0.011 A 42 GLN NE2 N 15 111.934 0.002 A 43 THR HB H 1 4.214 0.004 A 43 THR HG2% H 1 1.136 0.003 A 43 THR CB C 13 69.631 0.060 A 43 THR CG2 C 13 21.749 0.024 A 44 HIS CA C 13 55.501 0.039 A 44 HIS CB C 13 30.54 0.000 A 45 ASP H H 1 8.156 0.017 A 45 ASP C C 13 173.797 0.000 A 45 ASP CA C 13 56.043 0.000 A 45 ASP N N 15 127.049 0.038 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 4.295 0.001 A -1 PRO HB2 H 1 2.106 0.001 A -1 PRO HB3 H 1 1.682 0.001 A -1 PRO HDx H 1 3.403 0.000 A -1 PRO HDy H 1 3.403 0.000 A -1 PRO HG2 H 1 1.827 0.014 A -1 PRO HG3 H 1 1.769 0.002 A -1 PRO C C 13 176.35 0.000 A -1 PRO CA C 13 62.802 0.038 A -1 PRO CB C 13 32.094 0.058 A -1 PRO CD C 13 49.541 0.020 A -1 PRO CG C 13 26.848 0.059 A 0 HIS H H 1 8.386 0.001 A 0 HIS HA H 1 4.266 0.000 A 0 HIS HB2 H 1 2.559 0.000 A 0 HIS HB3 H 1 2.408 0.000 A 0 HIS C C 13 174.99 0.000 A 0 HIS CA C 13 56.012 0.142 A 0 HIS CB C 13 30.12 0.000 A 0 HIS N N 15 120.179 0.020 A 1 MET H H 1 8.097 0.001 A 1 MET HA H 1 4.488 0.000 A 1 MET HBx H 1 1.772 0.000 A 1 MET HBy H 1 1.772 0.000 A 1 MET HE% H 1 1.924 0.001 A 1 MET HG2 H 1 1.418 0.000 A 1 MET HG3 H 1 1.328 0.000 A 1 MET C C 13 175.692 0.000 A 1 MET CA C 13 55.436 0.070 A 1 MET CB C 13 32.65 0.000 A 1 MET CE C 13 16.744 0.011 A 1 MET CG C 13 25.415 0.000 A 1 MET N N 15 122.497 0.008 A 2 ALA H H 1 8.313 0.004 A 2 ALA HA H 1 4.162 0.002 A 2 ALA HB% H 1 1.203 0.005 A 2 ALA C C 13 177.349 0.000 A 2 ALA CA C 13 52.534 0.019 A 2 ALA CB C 13 19.221 0.079 A 2 ALA N N 15 125.056 0.013 A 3 VAL H H 1 8.067 0.007 A 3 VAL HB H 1 2.108 0.004 A 3 VAL HG2% H 1 0.69 0.001 A 3 VAL C C 13 175.29 0.000 A 3 VAL CA C 13 62.001 0.015 A 3 VAL CB C 13 32.104 0.039 A 3 VAL CG2 C 13 21.352 0.003 A 3 VAL N N 15 118.206 0.028 A 4 LEU H H 1 7.822 0.008 A 4 LEU HA H 1 4.258 0.007 A 4 LEU HB2 H 1 1.535 0.002 A 4 LEU HB3 H 1 0.861 0.003 A 4 LEU HD1% H 1 0.659 0.004 A 4 LEU HD2% H 1 0.38 0.009 A 4 LEU HG H 1 1.443 0.003 A 4 LEU C C 13 175.29 0.000 A 4 LEU CA C 13 54.091 0.019 A 4 LEU CB C 13 43.148 0.028 A 4 LEU CD1 C 13 24.974 0.049 A 4 LEU CD2 C 13 22.044 0.033 A 4 LEU CG C 13 26.497 0.000 A 4 LEU N N 15 123.729 0.032 A 5 CYS H H 1 8.54 0.005 A 5 CYS HA H 1 3.793 0.011 A 5 CYS HB2 H 1 3.324 0.011 A 5 CYS HB3 H 1 2.796 0.011 A 5 CYS C C 13 177.081 0.000 A 5 CYS CA C 13 59.794 0.040 A 5 CYS CB C 13 31.932 0.118 A 5 CYS N N 15 120.753 0.000 A 6 GLY H H 1 9.429 0.006 A 6 GLY HA2 H 1 4.057 0.005 A 6 GLY HA3 H 1 3.714 0.002 A 6 GLY C C 13 173.316 0.000 A 6 GLY CA C 13 46.302 0.051 A 6 GLY N N 15 117.661 0.021 A 7 VAL H H 1 9.029 0.005 A 7 VAL HA H 1 4.029 0.004 A 7 VAL HB H 1 2.101 0.006 A 7 VAL HG1% H 1 0.87 0.003 A 7 VAL HG2% H 1 0.795 0.002 A 7 VAL C C 13 176.172 0.000 A 7 VAL CA C 13 64.544 0.050 A 7 VAL CB C 13 32.697 0.049 A 7 VAL CG1 C 13 21.598 0.029 A 7 VAL CG2 C 13 21.397 0.031 A 7 VAL N N 15 122.739 0.020 A 8 CYS H H 1 8.371 0.006 A 8 CYS HA H 1 4.657 0.004 A 8 CYS HB2 H 1 2.973 0.006 A 8 CYS HB3 H 1 2.831 0.011 A 8 CYS C C 13 176.875 0.000 A 8 CYS CA C 13 59.349 0.022 A 8 CYS CB C 13 31.791 0.054 A 8 CYS N N 15 118.652 0.012 A 9 GLY H H 1 7.252 0.004 A 9 GLY HAx H 1 3.943 0.005 A 9 GLY HAy H 1 3.943 0.005 A 9 GLY C C 13 176.875 0.000 A 9 GLY CA C 13 46.747 0.037 A 9 GLY N N 15 110.476 0.035 A 10 ILE H H 1 7.955 0.007 A 10 ILE HA H 1 4.378 0.003 A 10 ILE HB H 1 1.945 0.003 A 10 ILE HD1% H 1 0.741 0.005 A 10 ILE HG12 H 1 1.366 0.005 A 10 ILE HG13 H 1 0.997 0.004 A 10 ILE HG2% H 1 0.812 0.010 A 10 ILE C C 13 175.519 0.000 A 10 ILE CA C 13 62.165 0.053 A 10 ILE CB C 13 40.817 0.018 A 10 ILE CD1 C 13 13.313 0.025 A 10 ILE CG1 C 13 26.96 0.042 A 10 ILE CG2 C 13 17.524 0.031 A 10 ILE N N 15 115.299 0.019 A 11 LYS H H 1 8.004 0.006 A 11 LYS HA H 1 4.429 0.004 A 11 LYS HBx H 1 2.148 0.004 A 11 LYS HBy H 1 2.148 0.004 A 11 LYS HG2 H 1 1.892 0.004 A 11 LYS HG3 H 1 1.723 0.004 A 11 LYS C C 13 175.168 0.000 A 11 LYS CA C 13 54.647 0.087 A 11 LYS CB C 13 33.25 0.032 A 11 LYS CG C 13 30.568 0.037 A 11 LYS N N 15 125.387 0.032 A 12 GLU H H 1 8.683 0.015 A 12 GLU HA H 1 4.16 0.004 A 12 GLU HBx H 1 2.11 0.006 A 12 GLU HBy H 1 2.11 0.006 A 12 GLU HGx H 1 1.748 0.004 A 12 GLU HGy H 1 1.748 0.004 A 12 GLU C C 13 176.094 0.000 A 12 GLU CA C 13 56.786 0.038 A 12 GLU CB C 13 36.521 0.045 A 12 GLU CG C 13 30.051 0.031 A 12 GLU N N 15 122.336 0.013 A 13 PHE H H 1 8.322 0.008 A 13 PHE HA H 1 3.756 0.004 A 13 PHE HB2 H 1 2.862 0.007 A 13 PHE HB3 H 1 2.418 0.008 A 13 PHE HDx H 1 7.025 0.007 A 13 PHE HDy H 1 7.025 0.007 A 13 PHE HEx H 1 7.016 0.000 A 13 PHE HEy H 1 7.016 0.000 A 13 PHE C C 13 176.094 0.000 A 13 PHE CA C 13 57.473 0.044 A 13 PHE CB C 13 39.433 0.075 A 13 PHE CD1 C 13 132.403 0.017 A 13 PHE CE1 C 13 131.065 0.000 A 13 PHE N N 15 120.547 0.026 A 14 LYS H H 1 8.526 0.006 A 14 LYS HA H 1 3.757 0.002 A 14 LYS HBx H 1 0.959 0.004 A 14 LYS HBy H 1 0.959 0.004 A 14 LYS HDx H 1 1.317 0.006 A 14 LYS HDy H 1 1.317 0.006 A 14 LYS HEx H 1 2.708 0.002 A 14 LYS HEy H 1 2.708 0.002 A 14 LYS HG2 H 1 0.845 0.006 A 14 LYS HG3 H 1 0.684 0.007 A 14 LYS C C 13 174.342 0.000 A 14 LYS CA C 13 56.46 0.048 A 14 LYS CB C 13 36.608 0.043 A 14 LYS CD C 13 28.758 0.011 A 14 LYS CE C 13 41.959 0.044 A 14 LYS CG C 13 24.276 0.022 A 14 LYS N N 15 119.109 0.037 A 15 TYR H H 1 8.384 0.009 A 15 TYR HA H 1 4.802 0.009 A 15 TYR HB2 H 1 2.899 0.006 A 15 TYR HB3 H 1 2.719 0.004 A 15 TYR HDx H 1 6.813 0.007 A 15 TYR HDy H 1 6.813 0.007 A 15 TYR HEx H 1 6.523 0.009 A 15 TYR HEy H 1 6.523 0.009 A 15 TYR C C 13 174.371 0.000 A 15 TYR CA C 13 56.384 0.044 A 15 TYR CB C 13 40.904 0.047 A 15 TYR CD1 C 13 133.245 0.040 A 15 TYR CE1 C 13 117.499 0.022 A 15 TYR N N 15 119.067 0.035 A 16 LYS H H 1 8.511 0.003 A 16 LYS HA H 1 4.544 0.003 A 16 LYS HBx H 1 1.416 0.009 A 16 LYS HBy H 1 1.416 0.009 A 16 LYS HDx H 1 1.44 0.002 A 16 LYS HDy H 1 1.44 0.002 A 16 LYS HEx H 1 2.69 0.009 A 16 LYS HEy H 1 2.69 0.009 A 16 LYS HG2 H 1 1.089 0.003 A 16 LYS HG3 H 1 0.958 0.004 A 16 LYS C C 13 174.371 0.000 A 16 LYS CA C 13 55.159 0.225 A 16 LYS CB C 13 35.411 0.030 A 16 LYS CD C 13 29.522 0.047 A 16 LYS CE C 13 41.825 0.073 A 16 LYS CG C 13 24.671 0.044 A 16 LYS N N 15 120.76 0.022 A 17 CYS HA H 1 4.451 0.009 A 17 CYS HBx H 1 2.968 0.013 A 17 CYS HBy H 1 2.968 0.013 A 17 CYS CA C 13 56.122 0.042 A 17 CYS CB C 13 30.334 0.093 A 18 PRO HA H 1 4.202 0.002 A 18 PRO HB2 H 1 2.217 0.004 A 18 PRO HB3 H 1 1.736 0.005 A 18 PRO HDx H 1 3.938 0.002 A 18 PRO HDy H 1 3.938 0.002 A 18 PRO HG2 H 1 1.969 0.002 A 18 PRO HG3 H 1 1.859 0.002 A 18 PRO CA C 13 64.071 0.030 A 18 PRO CB C 13 32.33 0.030 A 18 PRO CD C 13 51.155 0.034 A 18 PRO CG C 13 27.342 0.036 A 19 ARG HA H 1 4.099 0.002 A 19 ARG HB2 H 1 1.482 0.007 A 19 ARG HB3 H 1 1.387 0.003 A 19 ARG HD2 H 1 3.362 0.004 A 19 ARG HD3 H 1 3.198 0.007 A 19 ARG HGx H 1 1.383 0.001 A 19 ARG HGy H 1 1.383 0.001 A 19 ARG C C 13 175.938 0.000 A 19 ARG CA C 13 57.497 0.055 A 19 ARG CB C 13 31.562 0.031 A 19 ARG CD C 13 42.858 0.048 A 19 ARG CG C 13 27.925 0.052 A 20 CYS H H 1 7.664 0.013 A 20 CYS HA H 1 4.829 0.002 A 20 CYS HB2 H 1 3.141 0.004 A 20 CYS HB3 H 1 2.661 0.003 A 20 CYS C C 13 175.54 0.000 A 20 CYS CA C 13 58.389 0.036 A 20 CYS CB C 13 31.862 0.028 A 20 CYS N N 15 117.175 0.023 A 21 LEU H H 1 7.747 0.013 A 21 LEU HA H 1 3.954 0.002 A 21 LEU HB2 H 1 1.969 0.002 A 21 LEU HB3 H 1 1.406 0.003 A 21 LEU HD1% H 1 0.698 0.004 A 21 LEU HD2% H 1 0.636 0.003 A 21 LEU HG H 1 1.243 0.004 A 21 LEU C C 13 176.162 0.000 A 21 LEU CA C 13 56.897 0.045 A 21 LEU CB C 13 38.617 0.041 A 21 LEU CD1 C 13 24.911 0.062 A 21 LEU CD2 C 13 22.491 0.031 A 21 LEU CG C 13 27.321 0.030 A 21 LEU N N 15 117.529 0.011 A 22 VAL H H 1 8.181 0.004 A 22 VAL HA H 1 3.559 0.006 A 22 VAL HB H 1 1.281 0.000 A 22 VAL HG1% H 1 0.214 0.005 A 22 VAL HG2% H 1 0.86 0.004 A 22 VAL C C 13 176.162 0.000 A 22 VAL CA C 13 64.951 0.022 A 22 VAL CB C 13 31.422 0.000 A 22 VAL CG1 C 13 20.199 0.014 A 22 VAL CG2 C 13 24.549 0.038 A 22 VAL N N 15 123.056 0.023 A 23 GLN H H 1 8.552 0.015 A 23 GLN HA H 1 5.077 0.005 A 23 GLN HB2 H 1 1.521 0.005 A 23 GLN HB3 H 1 1.373 0.007 A 23 GLN HE2x H 1 6.279 0.006 A 23 GLN HG2 H 1 2.078 0.004 A 23 GLN HG3 H 1 1.524 0.003 A 23 GLN C C 13 175.728 0.000 A 23 GLN CA C 13 53.799 0.049 A 23 GLN CB C 13 29.458 0.084 A 23 GLN CG C 13 34.181 0.059 A 23 GLN N N 15 128.847 0.000 A 23 GLN NE2 N 15 109.423 0.013 A 24 THR H H 1 9.081 0.007 A 24 THR HA H 1 6.479 0.006 A 24 THR HB H 1 4.175 0.003 A 24 THR HG2% H 1 0.868 0.002 A 24 THR C C 13 177.161 0.000 A 24 THR CA C 13 59.234 0.070 A 24 THR CB C 13 73.994 0.023 A 24 THR CG2 C 13 22.541 0.045 A 24 THR N N 15 111.847 0.025 A 25 CYS H H 1 9.336 0.004 A 25 CYS HB2 H 1 3.049 0.010 A 25 CYS HB3 H 1 2.514 0.006 A 25 CYS C C 13 174.594 0.000 A 25 CYS CA C 13 59.599 0.011 A 25 CYS CB C 13 35.046 0.042 A 25 CYS N N 15 121.048 0.024 A 26 SER H H 1 7.273 0.005 A 26 SER HA H 1 4.896 0.005 A 26 SER HB2 H 1 4.25 0.005 A 26 SER HB3 H 1 4.16 0.005 A 26 SER C C 13 174.594 0.000 A 26 SER CA C 13 57.248 0.047 A 26 SER CB C 13 64.667 0.040 A 26 SER N N 15 111.101 0.032 A 27 LEU HA H 1 3.859 0.004 A 27 LEU HB2 H 1 1.606 0.006 A 27 LEU HB3 H 1 1.42 0.004 A 27 LEU HD1% H 1 0.761 0.004 A 27 LEU HD2% H 1 0.541 0.003 A 27 LEU HG H 1 1.491 0.007 A 27 LEU C C 13 179.455 0.000 A 27 LEU CA C 13 57.589 0.050 A 27 LEU CB C 13 40.768 0.034 A 27 LEU CD1 C 13 24.287 0.050 A 27 LEU CD2 C 13 23.064 0.026 A 27 LEU CG C 13 25.656 0.032 A 28 GLU H H 1 8.787 0.004 A 28 GLU HA H 1 3.889 0.005 A 28 GLU HB2 H 1 2.074 0.002 A 28 GLU HB3 H 1 1.843 0.006 A 28 GLU HG2 H 1 2.306 0.006 A 28 GLU HG3 H 1 2.133 0.006 A 28 GLU C C 13 179.776 0.000 A 28 GLU CA C 13 60.705 0.036 A 28 GLU CB C 13 28.723 0.056 A 28 GLU CG C 13 36.713 0.017 A 28 GLU N N 15 119.644 0.017 A 29 CYS H H 1 7.989 0.006 A 29 CYS HA H 1 4.092 0.005 A 29 CYS HB2 H 1 2.865 0.006 A 29 CYS HB3 H 1 2.703 0.004 A 29 CYS C C 13 177.957 0.000 A 29 CYS CA C 13 65.858 0.087 A 29 CYS CB C 13 30.795 0.036 A 29 CYS N N 15 120.437 0.015 A 30 SER H H 1 8.584 0.006 A 30 SER C C 13 177.957 0.000 A 30 SER CA C 13 63.027 0.000 A 30 SER N N 15 117.103 0.036 A 31 LYS H H 1 8.438 0.000 A 31 LYS HA H 1 3.828 0.004 A 31 LYS HBx H 1 1.824 0.007 A 31 LYS HBy H 1 1.824 0.007 A 31 LYS HDx H 1 1.529 0.004 A 31 LYS HDy H 1 1.529 0.004 A 31 LYS HG2 H 1 1.454 0.007 A 31 LYS HG3 H 1 1.286 0.007 A 31 LYS C C 13 179.196 0.000 A 31 LYS CA C 13 60.182 0.023 A 31 LYS CB C 13 32.093 0.033 A 31 LYS CD C 13 29.558 0.035 A 31 LYS CG C 13 25.386 0.046 A 31 LYS N N 15 122.212 0.000 A 32 LYS H H 1 7.795 0.006 A 32 LYS HA H 1 3.991 0.003 A 32 LYS HB2 H 1 1.866 0.001 A 32 LYS HB3 H 1 1.789 0.008 A 32 LYS HDx H 1 1.52 0.005 A 32 LYS HDy H 1 1.52 0.005 A 32 LYS HEx H 1 2.782 0.004 A 32 LYS HEy H 1 2.782 0.004 A 32 LYS HG2 H 1 1.458 0.004 A 32 LYS HG3 H 1 1.287 0.005 A 32 LYS C C 13 178.693 0.000 A 32 LYS CA C 13 59.083 0.029 A 32 LYS CB C 13 32.41 0.056 A 32 LYS CD C 13 29.219 0.029 A 32 LYS CE C 13 41.991 0.044 A 32 LYS CG C 13 25.583 0.030 A 32 LYS N N 15 119.721 0.012 A 33 HIS H H 1 8.319 0.005 A 33 HIS HA H 1 4.135 0.009 A 33 HIS HBx H 1 3.029 0.003 A 33 HIS HBy H 1 3.029 0.003 A 33 HIS HD2 H 1 7.042 0.000 A 33 HIS HE1 H 1 7.892 0.000 A 33 HIS C C 13 178.693 0.000 A 33 HIS CA C 13 58.307 0.046 A 33 HIS CB C 13 27.045 0.000 A 33 HIS CD2 C 13 120.507 0.000 A 33 HIS CE1 C 13 140.881 0.000 A 33 HIS N N 15 118.702 0.027 A 33 HIS ND1 N 15 192.608 0.000 A 33 HIS NE2 N 15 180.044 0.000 A 34 LYS HA H 1 3.442 0.004 A 34 LYS HBx H 1 1.743 0.007 A 34 LYS HBy H 1 1.743 0.007 A 34 LYS HDx H 1 1.512 0.006 A 34 LYS HDy H 1 1.512 0.006 A 34 LYS HEx H 1 2.777 0.007 A 34 LYS HEy H 1 2.777 0.007 A 34 LYS HGx H 1 1.499 0.006 A 34 LYS HGy H 1 1.499 0.006 A 34 LYS CA C 13 60.14 0.039 A 34 LYS CB C 13 32.026 0.001 A 34 LYS CD C 13 29.624 0.015 A 34 LYS CE C 13 41.894 0.028 A 34 LYS CG C 13 25.567 0.029 A 35 THR HA H 1 3.936 0.002 A 35 THR HB H 1 4.006 0.005 A 35 THR HG2% H 1 1.099 0.003 A 35 THR CA C 13 64.19 0.032 A 35 THR CB C 13 68.885 0.011 A 35 THR CG2 C 13 21.867 0.035 A 36 ARG HA H 1 3.865 0.003 A 36 ARG HBx H 1 1.702 0.002 A 36 ARG HBy H 1 1.702 0.002 A 36 ARG HD2 H 1 3.175 0.003 A 36 ARG HD3 H 1 2.829 0.004 A 36 ARG HG2 H 1 1.677 0.003 A 36 ARG HG3 H 1 1.492 0.004 A 36 ARG C C 13 177.589 0.000 A 36 ARG CA C 13 58.985 0.059 A 36 ARG CB C 13 31.269 0.010 A 36 ARG CD C 13 43.654 0.081 A 36 ARG CG C 13 25.71 0.047 A 37 ASP H H 1 7.899 0.006 A 37 ASP C C 13 175.634 0.000 A 37 ASP CA C 13 53.842 0.000 A 37 ASP CB C 13 40.092 0.000 A 37 ASP N N 15 113.562 0.022 A 38 ASN H H 1 7.323 0.008 A 38 ASN HA H 1 4.164 0.004 A 38 ASN HB2 H 1 2.93 0.008 A 38 ASN HB3 H 1 2.509 0.007 A 38 ASN HD21 H 1 7.415 0.006 A 38 ASN HD22 H 1 6.646 0.006 A 38 ASN C C 13 175.634 0.000 A 38 ASN CA C 13 53.859 0.036 A 38 ASN CB C 13 36.826 0.035 A 38 ASN N N 15 118.226 0.032 A 38 ASN ND2 N 15 112.228 0.022 A 39 CYS H H 1 7.787 0.000 A 39 CYS HA H 1 4.389 0.004 A 39 CYS HB2 H 1 2.314 0.013 A 39 CYS HB3 H 1 2.086 0.011 A 39 CYS C C 13 175.496 0.000 A 39 CYS CA C 13 57.896 0.066 A 39 CYS CB C 13 30.839 0.048 A 39 CYS N N 15 119.731 0.000 A 40 SER H H 1 8.471 0.004 A 40 SER HA H 1 4.128 0.003 A 40 SER HB2 H 1 3.834 0.002 A 40 SER HB3 H 1 3.748 0.004 A 40 SER C C 13 175.496 0.000 A 40 SER CA C 13 58.958 0.057 A 40 SER CB C 13 63.84 0.025 A 40 SER N N 15 122.215 0.009 A 41 GLY HA2 H 1 3.972 0.003 A 41 GLY HA3 H 1 3.808 0.005 A 41 GLY C C 13 172.713 0.000 A 41 GLY CA C 13 45.664 0.016 A 42 GLN H H 1 7.863 0.004 A 42 GLN HBx H 1 2.132 0.003 A 42 GLN HBy H 1 2.132 0.003 A 42 GLN HE21 H 1 7.333 0.005 A 42 GLN HE22 H 1 6.721 0.006 A 42 GLN C C 13 175.504 0.000 A 42 GLN CA C 13 54.674 0.006 A 42 GLN CB C 13 30.416 0.000 A 42 GLN N N 15 118.29 0.029 A 42 GLN NE2 N 15 112.191 0.035 A 43 THR H H 1 8.324 0.002 A 43 THR HA H 1 4.027 0.016 A 43 THR HB H 1 4.057 0.002 A 43 THR HG2% H 1 0.976 0.005 A 43 THR C C 13 173.951 0.000 A 43 THR CA C 13 62.111 0.025 A 43 THR CB C 13 69.254 0.045 A 43 THR CG2 C 13 21.701 0.045 A 43 THR N N 15 114.477 0.017 A 44 HIS H H 1 7.933 0.002 A 44 HIS HA H 1 4.222 0.012 A 44 HIS HB2 H 1 1.874 0.005 A 44 HIS HB3 H 1 1.803 0.001 A 44 HIS C C 13 173.525 0.000 A 44 HIS CA C 13 55.405 0.094 A 44 HIS CB C 13 30.142 0.000 A 44 HIS N N 15 119.454 0.007 A 45 ASP H H 1 8.127 0.005 A 45 ASP HA H 1 4.525 0.000 A 45 ASP C C 13 173.525 0.000 A 45 ASP CA C 13 55.873 0.000 A 45 ASP N N 15 127.048 0.023 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 12 GLU HA A 13 PHE H 1.0 0.0 2.68 2 2 A 7 VAL H A 24 THR HG2% 1.0 0.0 3.40 3 3 A 2 ALA H A 1 MET HBx 1.0 0.0 3.85 4 3 A 1 MET HBy A 2 ALA H 1.0 0.0 3.85 5 4 A 2 ALA H A 2 ALA HB% 1.0 0.0 3.23 6 5 A 37 ASP H A 36 ARG HG2 1.0 0.0 3.59 7 6 A 37 ASP H A 36 ARG HG3 1.0 0.0 3.59 8 7 A 27 LEU HA A 30 SER H 1.0 0.0 3.25 9 8 A 8 CYS H A 9 GLY HAx 1.0 0.0 4.27 10 8 A 8 CYS H A 9 GLY HAy 1.0 0.0 4.27 11 9 A 8 CYS H A 8 CYS HB2 1.0 0.0 3.68 12 10 A 14 LYS H A 14 LYS HBx 1.0 0.0 3.45 13 10 A 14 LYS H A 14 LYS HBy 1.0 0.0 3.45 14 11 A 24 THR HG2% A 30 SER H 1.0 0.0 3.73 15 12 A 24 THR HG2% A 33 HIS H 1.0 0.0 5.34 16 13 A 3 VAL HGx% A 13 PHE HD% 1.0 0.0 3.33 17 14 A 15 TYR HD% A 14 LYS HBx 1.0 0.0 3.33 18 14 A 14 LYS HBy A 15 TYR HD% 1.0 0.0 3.33 19 15 A 15 TYR HE% A 14 LYS HBx 1.0 0.0 3.44 20 15 A 14 LYS HBy A 15 TYR HE% 1.0 0.0 3.44 21 16 A 15 TYR HE% A 14 LYS HDx 1.0 0.0 3.62 22 16 A 15 TYR HE% A 14 LYS HDy 1.0 0.0 3.62 23 17 A 13 PHE HD% A 3 VAL HB 1.0 0.0 3.21 24 18 A 15 TYR HD% A 15 TYR HA 1.0 0.0 3.26 25 19 A 15 TYR HE% A 26 SER HA 1.0 0.0 2.99 26 20 A 43 THR HA A 43 THR HG2% 1.0 0.0 2.96 27 21 A 16 LYS HG3 A 21 LEU HA 1.0 0.0 3.56 28 22 A 10 ILE HA A 10 ILE HG2% 1.0 0.0 3.11 29 23 A 7 VAL HG1% A 29 CYS HA 1.0 0.0 3.17 30 24 A 7 VAL HG1% A 7 VAL HA 1.0 0.0 2.89 31 25 A 7 VAL HA A 7 VAL HG2% 1.0 0.0 2.91 32 26 A 21 LEU HA A 21 LEU HD2% 1.0 0.0 2.93 33 27 A 27 LEU HA A 27 LEU HD2% 1.0 0.0 3.92 34 28 A 7 VAL HG1% A 8 CYS HB3 1.0 0.0 3.54 35 29 A 24 THR HG2% A 29 CYS HB3 1.0 0.0 3.02 36 30 A 10 ILE HB A 10 ILE HD1% 1.0 0.0 3.11 37 31 A 7 VAL HG1% A 32 LYS HB2 1.0 0.0 3.49 38 32 A 7 VAL HG1% A 32 LYS HB3 1.0 0.0 3.13 39 33 A 4 LEU HB2 A 4 LEU HD1% 1.0 0.0 3.07 40 34 A 27 LEU HB3 A 27 LEU HD1% 1.0 0.0 3.72 41 35 A 27 LEU HD2% A 27 LEU HB3 1.0 0.0 3.72 42 36 A 21 LEU HB2 A 21 LEU HD1% 1.0 0.0 3.02 43 37 A 19 ARG HB2 A 19 ARG HD3 1.0 0.0 4.04 44 38 A 32 LYS HDx A 32 LYS HEx 1.0 0.0 2.81 45 38 A 32 LYS HEy A 32 LYS HDx 1.0 0.0 2.81 46 38 A 32 LYS HDy A 32 LYS HEy 1.0 0.0 2.81 47 38 A 32 LYS HDy A 32 LYS HEx 1.0 0.0 2.81 48 39 A 24 THR HG2% A 29 CYS HB2 1.0 0.0 3.32 49 40 A 17 CYS HA A 18 PRO HDx 1.0 0.0 2.96 50 40 A 17 CYS HA A 18 PRO HDy 1.0 0.0 2.96 51 41 A 29 CYS HB3 A 24 THR HB 1.0 0.0 3.37 52 42 A 16 LYS HBy A 16 LYS HEx 1.0 0.0 3.67 53 42 A 16 LYS HBx A 16 LYS HEx 1.0 0.0 3.67 54 42 A 16 LYS HEy A 16 LYS HBx 1.0 0.0 3.67 55 42 A 16 LYS HBy A 16 LYS HEy 1.0 0.0 3.67 56 43 A 36 ARG HBy A 36 ARG HD2 1.0 0.0 3.79 57 43 A 36 ARG HD2 A 36 ARG HBx 1.0 0.0 3.79 58 44 A 32 LYS HB3 A 33 HIS HBy 1.0 0.0 3.92 59 44 A 32 LYS HB3 A 33 HIS HBx 1.0 0.0 3.92 60 45 A 34 LYS HEx A 34 LYS HGx 1.0 0.0 3.38 61 45 A 34 LYS HEy A 34 LYS HGx 1.0 0.0 3.38 62 45 A 34 LYS HGy A 34 LYS HEx 1.0 0.0 3.38 63 45 A 34 LYS HGy A 34 LYS HEy 1.0 0.0 3.38 64 46 A 11 LYS HA A 11 LYS HG2 1.0 0.0 4.18 65 47 A 14 LYS H A 13 PHE HD% 1.0 0.0 3.50 66 48 A 14 LYS H A 15 TYR HD% 1.0 0.0 3.81 67 49 A 13 PHE H A 13 PHE HD% 1.0 0.0 3.05 68 50 A 18 PRO HG2 A 41 GLY HA2 1.0 0.0 3.70 69 51 A 29 CYS HB2 A 28 GLU HB3 1.0 0.0 4.92 70 52 A 29 CYS HB2 A 7 VAL HB 1.0 0.0 4.04 71 53 A 1 MET HA A 1 MET HG2 1.0 0.0 3.87 72 54 A 1 MET HA A 1 MET HG3 1.0 0.0 3.87 73 55 A 15 TYR HA A 16 LYS HBx 1.0 0.0 4.54 74 55 A 15 TYR HA A 16 LYS HBy 1.0 0.0 4.54 75 56 A 14 LYS HA A 14 LYS HDx 1.0 0.0 4.22 76 56 A 14 LYS HDy A 14 LYS HA 1.0 0.0 4.22 77 57 A 19 ARG HB2 A 19 ARG HD2 1.0 0.0 4.04 78 58 A 27 LEU HA A 27 LEU HD1% 1.0 0.0 3.92 79 59 A 21 LEU HA A 21 LEU HD1% 1.0 0.0 3.89 80 60 A 10 ILE HA A 10 ILE HD1% 1.0 0.0 3.81 81 61 A 13 PHE HD% A 14 LYS HBx 1.0 0.0 4.61 82 61 A 14 LYS HBy A 13 PHE HD% 1.0 0.0 4.61 83 62 A 33 HIS HD2 A 34 LYS HGx 1.0 0.0 3.80 84 62 A 34 LYS HGy A 33 HIS HD2 1.0 0.0 3.80 85 63 A 5 CYS HB3 A 24 THR HA 1.0 0.0 4.73 86 64 A 15 TYR HD% A 26 SER H 1.0 0.0 3.77 87 65 A 42 GLN H A 19 ARG HD3 1.0 0.0 5.19 88 66 A 26 SER HA A 28 GLU H 1.0 0.0 4.66 89 67 A 5 CYS H A 13 PHE HB3 1.0 0.0 4.48 90 68 A 30 SER H A 31 LYS HBx 1.0 0.0 4.79 91 68 A 30 SER H A 31 LYS HBy 1.0 0.0 4.79 92 69 A 10 ILE H A 10 ILE HG12 1.0 0.0 3.96 93 70 A 2 ALA HB% A 3 VAL H 1.0 0.0 3.85 94 71 A 2 ALA HB% A 13 PHE HD% 1.0 0.0 4.63 95 72 A 2 ALA HB% A 13 PHE HE% 1.0 0.0 4.94 96 73 A 15 TYR HE% A 27 LEU HD2% 1.0 0.0 4.76 97 74 A 15 TYR HD% A 27 LEU HD2% 1.0 0.0 5.64 98 75 A 15 TYR HE% A 27 LEU HD1% 1.0 0.0 4.76 99 76 A 13 PHE HD% A 14 LYS HA 1.0 0.0 3.51 100 77 A 15 TYR HD% A 26 SER HA 1.0 0.0 3.80 101 78 A 43 THR HG2% A 18 PRO HB3 1.0 0.0 4.23 102 79 A 27 LEU HB2 A 27 LEU HD1% 1.0 0.0 3.72 103 80 A 2 ALA HB% A 4 LEU HD2% 1.0 0.0 4.61 104 81 A 27 LEU HD2% A 27 LEU HB2 1.0 0.0 3.72 105 82 A 22 VAL HG1% A 17 CYS HBx 1.0 0.0 3.95 106 82 A 17 CYS HBy A 22 VAL HG1% 1.0 0.0 3.95 107 83 A 22 VAL HG1% A 23 GLN HA 1.0 0.0 5.03 108 84 A 12 GLU H A 12 GLU HGx 1.0 0.0 4.51 109 84 A 12 GLU H A 12 GLU HGy 1.0 0.0 4.51 110 85 A 32 LYS H A 31 LYS HBx 1.0 0.0 3.90 111 85 A 31 LYS HBy A 32 LYS H 1.0 0.0 3.90 112 86 A 5 CYS HB3 A 25 CYS H 1.0 0.0 4.51 113 87 A 13 PHE H A 13 PHE HB2 1.0 0.0 3.66 114 88 A 15 TYR H A 15 TYR HB2 1.0 0.0 3.67 115 89 A 23 GLN HA A 13 PHE HB2 1.0 0.0 4.25 116 90 A 23 GLN HA A 15 TYR HB2 1.0 0.0 4.94 117 91 A 23 GLN HA A 16 LYS HEx 1.0 0.0 5.47 118 91 A 16 LYS HEy A 23 GLN HA 1.0 0.0 5.47 119 92 A 17 CYS HBx A 18 PRO HDx 1.0 0.0 4.29 120 92 A 17 CYS HBy A 18 PRO HDx 1.0 0.0 4.29 121 92 A 18 PRO HDy A 17 CYS HBx 1.0 0.0 4.29 122 92 A 18 PRO HDy A 17 CYS HBy 1.0 0.0 4.29 123 93 A 3 VAL HGx% A 3 VAL H 1.0 0.0 4.25 124 94 A 42 GLN H A 42 GLN HBx 1.0 0.0 3.94 125 94 A 42 GLN H A 42 GLN HBy 1.0 0.0 3.94 126 95 A 18 PRO HG2 A 43 THR H 1.0 0.0 4.13 127 96 A 13 PHE HD% A 3 VAL H 1.0 0.0 4.59 128 97 A 3 VAL H A 13 PHE HE% 1.0 0.0 5.19 129 98 A 13 PHE HD% A 23 GLN HA 1.0 0.0 4.05 130 99 A 15 TYR HA A 13 PHE HE% 1.0 0.0 5.50 131 100 A 13 PHE HE% A 2 ALA HA 1.0 0.0 3.78 132 101 A 37 ASP H A 38 ASN HB2 1.0 0.0 5.12 133 102 A 15 TYR HE% A 14 LYS HG3 1.0 0.0 4.52 134 103 A 15 TYR HD% A 14 LYS HDx 1.0 0.0 4.46 135 103 A 15 TYR HD% A 14 LYS HDy 1.0 0.0 4.46 136 104 A 27 LEU HA A 15 TYR HE% 1.0 0.0 4.37 137 105 A 43 THR HA A 42 GLN H 1.0 0.0 4.42 138 106 A 5 CYS HB3 A 25 CYS HB3 1.0 0.0 3.82 139 107 A 14 LYS HBy A 14 LYS HEx 1.0 0.0 4.36 140 107 A 14 LYS HBx A 14 LYS HEx 1.0 0.0 4.36 141 107 A 14 LYS HEy A 14 LYS HBx 1.0 0.0 4.36 142 107 A 14 LYS HBy A 14 LYS HEy 1.0 0.0 4.36 143 108 A 7 VAL HG2% A 29 CYS HB3 1.0 0.0 3.55 144 109 A 34 LYS HBx A 34 LYS HEx 1.0 0.0 3.62 145 109 A 34 LYS HBy A 34 LYS HEx 1.0 0.0 3.62 146 109 A 34 LYS HEy A 34 LYS HBx 1.0 0.0 3.62 147 109 A 34 LYS HEy A 34 LYS HBy 1.0 0.0 3.62 148 110 A 32 LYS HG3 A 32 LYS HEx 1.0 0.0 4.03 149 110 A 32 LYS HEy A 32 LYS HG3 1.0 0.0 4.03 150 111 A 31 LYS HBx A 34 LYS HEx 1.0 0.0 3.91 151 111 A 31 LYS HBy A 34 LYS HEx 1.0 0.0 3.91 152 111 A 34 LYS HEy A 31 LYS HBx 1.0 0.0 3.91 153 111 A 34 LYS HEy A 31 LYS HBy 1.0 0.0 3.91 154 112 A 19 ARG HA A 19 ARG HD3 1.0 0.0 4.78 155 113 A 31 LYS HA A 34 LYS HEx 1.0 0.0 3.57 156 113 A 34 LYS HEy A 31 LYS HA 1.0 0.0 3.57 157 114 A 2 ALA HB% A 12 GLU HBx 1.0 0.0 3.99 158 114 A 2 ALA HB% A 12 GLU HBy 1.0 0.0 3.99 159 115 A 24 THR HG2% A 6 GLY H 1.0 0.0 4.38 160 116 A 13 PHE H A 4 LEU HD2% 1.0 0.0 4.64 161 117 A 8 CYS H A 7 VAL HG2% 1.0 0.0 3.75 162 118 A 33 HIS H A 7 VAL HG1% 1.0 0.0 4.47 163 119 A 15 TYR HA A 14 LYS HG3 1.0 0.0 5.86 164 120 A 21 LEU HD1% A 20 CYS HA 1.0 0.0 6.00 165 121 A 21 LEU HD2% A 21 LEU HB3 1.0 0.0 3.68 166 122 A 7 VAL HG2% A 22 VAL HG2% 1.0 0.0 3.78 167 123 A 3 VAL HGx% A 5 CYS H 1.0 0.0 5.46 168 124 A 5 CYS H A 4 LEU HB3 1.0 0.0 3.98 169 125 A 43 THR HG2% A 43 THR H 1.0 0.0 4.32 170 126 A 4 LEU HB3 A 11 LYS H 1.0 0.0 4.61 171 127 A 27 LEU HA A 15 TYR HD% 1.0 0.0 4.48 172 128 A 15 TYR HD% A 14 LYS HG3 1.0 0.0 4.75 173 129 A 15 TYR HB2 A 16 LYS H 1.0 0.0 3.73 174 130 A 7 VAL HG2% A 29 CYS HB2 1.0 0.0 3.89 175 131 A 8 CYS HB2 A 10 ILE HG2% 1.0 0.0 3.97 176 132 A 29 CYS H A 26 SER HB2 1.0 0.0 4.51 177 133 A 17 CYS HA A 16 LYS H 1.0 0.0 4.53 178 134 A 42 GLN HBy A 40 SER HB2 1.0 0.0 5.18 179 134 A 40 SER HB2 A 42 GLN HBx 1.0 0.0 5.18 180 135 A 41 GLY HA3 A 42 GLN HBx 1.0 0.0 5.77 181 135 A 42 GLN HBy A 41 GLY HA3 1.0 0.0 5.77 182 136 A 20 CYS HA A 21 LEU HG 1.0 0.0 4.68 183 137 A 16 LYS HG3 A 16 LYS H 1.0 0.0 4.96 184 138 A 15 TYR HE% A 26 SER H 1.0 0.0 4.70 185 139 A 21 LEU HB3 A 16 LYS HG2 1.0 0.0 4.97 186 140 A 14 LYS HG3 A 14 LYS HEx 1.0 0.0 4.09 187 140 A 14 LYS HG3 A 14 LYS HEy 1.0 0.0 4.09 188 141 A 22 VAL HG2% A 17 CYS HBx 1.0 0.0 5.01 189 141 A 17 CYS HBy A 22 VAL HG2% 1.0 0.0 5.01 190 142 A 32 LYS HA A 32 LYS HEx 1.0 0.0 5.13 191 142 A 32 LYS HEy A 32 LYS HA 1.0 0.0 5.13 192 143 A 41 GLY HA2 A 34 LYS HEx 1.0 0.0 5.59 193 143 A 34 LYS HEy A 41 GLY HA2 1.0 0.0 5.59 194 144 A 29 CYS HB3 A 32 LYS HB2 1.0 0.0 4.80 195 145 A 13 PHE HE% A 16 LYS HEx 1.0 0.0 4.76 196 145 A 16 LYS HEy A 13 PHE HE% 1.0 0.0 4.76 197 146 A 10 ILE H A 25 CYS HB2 1.0 0.0 5.87 198 147 A 4 LEU HD1% A 10 ILE H 1.0 0.0 5.20 199 148 A 7 VAL HB A 9 GLY H 1.0 0.0 4.82 200 149 A 13 PHE HD% A 12 GLU HGx 1.0 0.0 5.06 201 149 A 13 PHE HD% A 12 GLU HGy 1.0 0.0 5.06 202 150 A 15 TYR HD% A 26 SER HB3 1.0 0.0 5.45 203 151 A 15 TYR HE% A 27 LEU HB3 1.0 0.0 5.22 204 152 A 29 CYS HA A 7 VAL HB 1.0 0.0 4.46 205 153 A 29 CYS HA A 28 GLU HB3 1.0 0.0 4.80 206 154 A 12 GLU HA A 13 PHE HB3 1.0 0.0 4.47 207 155 A 3 VAL HB A 13 PHE HB3 1.0 0.0 3.96 208 156 A 4 LEU HB2 A 9 GLY HAx 1.0 0.0 4.68 209 156 A 9 GLY HAy A 4 LEU HB2 1.0 0.0 4.68 210 157 A 19 ARG HB2 A 18 PRO HDx 1.0 0.0 5.03 211 157 A 19 ARG HB2 A 18 PRO HDy 1.0 0.0 5.03 212 158 A 24 THR HG2% A 27 LEU HA 1.0 0.0 5.21 213 159 A 8 CYS HB2 A 10 ILE HD1% 1.0 0.0 4.06 214 160 A 3 VAL HGx% A 13 PHE HB2 1.0 0.0 4.78 215 161 A 5 CYS HB2 A 10 ILE HG13 1.0 0.0 5.27 216 162 A 3 VAL HGx% A 13 PHE HB3 1.0 0.0 4.71 217 163 A 43 THR HG2% A 18 PRO HG2 1.0 0.0 4.42 218 164 A 43 THR HG2% A 18 PRO HB2 1.0 0.0 3.64 219 165 A 7 VAL HG2% A 32 LYS HB2 1.0 0.0 4.29 220 166 A 31 LYS HA A 34 LYS HGx 1.0 0.0 3.57 221 166 A 34 LYS HGy A 31 LYS HA 1.0 0.0 3.57 222 167 A 28 GLU HA A 28 GLU HG3 1.0 0.0 3.81 223 168 A 35 THR HG2% A 32 LYS HEx 1.0 0.0 5.47 224 168 A 32 LYS HEy A 35 THR HG2% 1.0 0.0 5.47 225 169 A 25 CYS HB2 A 14 LYS HDx 1.0 0.0 5.93 226 169 A 14 LYS HDy A 25 CYS HB2 1.0 0.0 5.93 227 170 A 33 HIS H A 31 LYS HA 1.0 0.0 4.27 228 171 A 24 THR HB A 15 TYR H 1.0 0.0 5.37 229 172 A 7 VAL H A 29 CYS HB2 1.0 0.0 5.63 230 173 A 18 PRO HG2 A 42 GLN H 1.0 0.0 4.12 231 174 A 2 ALA HB% A 12 GLU HGx 1.0 0.0 4.10 232 174 A 2 ALA HB% A 12 GLU HGy 1.0 0.0 4.10 233 175 A -1 PRO HB2 A 1 MET HG2 1.0 0.0 3.33 234 176 A -1 PRO HB2 A 1 MET HG3 1.0 0.0 3.33 235 177 A 34 LYS HBx A 34 LYS HGx 1.0 0.0 2.93 236 177 A 34 LYS HBy A 34 LYS HGx 1.0 0.0 2.93 237 177 A 34 LYS HGy A 34 LYS HBx 1.0 0.0 2.93 238 177 A 34 LYS HGy A 34 LYS HBy 1.0 0.0 2.93 239 178 A 5 CYS HB2 A 4 LEU HA 1.0 0.0 4.75 240 179 A 8 CYS H A 10 ILE H 1.0 0.0 5.32 241 180 A 8 CYS H A 25 CYS H 1.0 0.0 5.63 242 181 A 25 CYS H A 15 TYR H 1.0 0.0 6.00 243 182 A 7 VAL H A 25 CYS H 1.0 0.0 4.89 244 183 A 26 SER H A 14 LYS HBx 1.0 0.0 5.07 245 183 A 14 LYS HBy A 26 SER H 1.0 0.0 5.07 246 184 A 28 GLU H A 27 LEU HD2% 1.0 0.0 5.34 247 185 A 25 CYS H A 5 CYS HA 1.0 0.0 4.50 248 186 A 43 THR HB A 45 ASP H 1.0 0.0 5.82 249 187 A 15 TYR HE% A 14 LYS HA 1.0 0.0 5.54 250 188 A 24 THR HA A 23 GLN HA 1.0 0.0 5.51 251 189 A 15 TYR HD% A 23 GLN HA 1.0 0.0 6.00 252 190 A 5 CYS HB3 A 4 LEU HB3 1.0 0.0 4.86 253 191 A 7 VAL HG2% A 5 CYS HB3 1.0 0.0 6.00 254 192 A 24 THR HB A 23 GLN HA 1.0 0.0 5.80 255 193 A 4 LEU HD1% A 4 LEU H 1.0 0.0 4.28 256 194 A 4 LEU HD2% A 12 GLU H 1.0 0.0 5.45 257 195 A 26 SER HA A 14 LYS HBx 1.0 0.0 5.09 258 195 A 14 LYS HBy A 26 SER HA 1.0 0.0 5.09 259 196 A 26 SER HA A 14 LYS HDx 1.0 0.0 5.22 260 196 A 14 LYS HDy A 26 SER HA 1.0 0.0 5.22 261 197 A 42 GLN HBy A 40 SER HB3 1.0 0.0 5.18 262 197 A 40 SER HB3 A 42 GLN HBx 1.0 0.0 5.18 263 198 A 43 THR HG2% A 18 PRO HA 1.0 0.0 4.82 264 199 A 7 VAL HG2% A 6 GLY HA3 1.0 0.0 4.82 265 200 A 31 LYS HBx A 31 LYS HDx 1.0 0.0 3.25 266 200 A 31 LYS HDy A 31 LYS HBx 1.0 0.0 3.25 267 200 A 31 LYS HBy A 31 LYS HDy 1.0 0.0 3.25 268 200 A 31 LYS HBy A 31 LYS HDx 1.0 0.0 3.25 269 201 A 10 ILE HG2% A 5 CYS HB3 1.0 0.0 5.51 270 202 A 10 ILE HD1% A 5 CYS HB2 1.0 0.0 4.37 271 203 A 25 CYS HB3 A 13 PHE HA 1.0 0.0 4.91 272 204 A 13 PHE HB3 A 23 GLN HA 1.0 0.0 5.29 273 205 A 5 CYS HB3 A 4 LEU HD2% 1.0 0.0 5.53 274 206 A 25 CYS HB2 A 14 LYS HBx 1.0 0.0 5.32 275 206 A 14 LYS HBy A 25 CYS HB2 1.0 0.0 5.32 276 207 A 17 CYS HA A 18 PRO HG3 1.0 0.0 4.51 277 208 A 7 VAL HG2% A 32 LYS HB3 1.0 0.0 3.96 278 209 A 15 TYR HE% A 27 LEU HB2 1.0 0.0 5.22 279 210 A 16 LYS HG2 A 22 VAL H 1.0 0.0 5.29 280 211 A 7 VAL HG2% A 9 GLY H 1.0 0.0 5.58 281 212 A 15 TYR HE% A 15 TYR H 1.0 0.0 5.47 282 213 A 5 CYS H A 9 GLY H 1.0 0.0 5.23 283 214 A 14 LYS H A 26 SER H 1.0 0.0 5.83 284 215 A 24 THR HA A 5 CYS H 1.0 0.0 6.00 285 216 A 29 CYS HB2 A 28 GLU H 1.0 0.0 5.53 286 217 A 33 HIS HD2 A 22 VAL HG1% 1.0 0.0 4.89 287 218 A 15 TYR HD% A 16 LYS HBx 1.0 0.0 6.00 288 218 A 15 TYR HD% A 16 LYS HBy 1.0 0.0 6.00 289 219 A 38 ASN H A 34 LYS HBx 1.0 0.0 5.24 290 219 A 34 LYS HBy A 38 ASN H 1.0 0.0 5.24 291 220 A 38 ASN H A 36 ARG HBx 1.0 0.0 5.69 292 220 A 36 ARG HBy A 38 ASN H 1.0 0.0 5.69 293 221 A 14 LYS HA A 14 LYS HEx 1.0 0.0 5.36 294 221 A 14 LYS HA A 14 LYS HEy 1.0 0.0 5.36 295 222 A 29 CYS HA A 26 SER H 1.0 0.0 5.49 296 223 A 41 GLY HA2 A 40 SER H 1.0 0.0 5.05 297 224 A 3 VAL HB A 3 VAL H 1.0 0.0 4.04 298 225 A 7 VAL H A 9 GLY H 1.0 0.0 3.95 299 226 A 7 VAL H A 24 THR HA 1.0 0.0 4.52 300 227 A 7 VAL H A 5 CYS HB3 1.0 0.0 4.43 301 228 A 7 VAL H A 7 VAL HG2% 1.0 0.0 3.02 302 229 A 7 VAL H A 7 VAL HB 1.0 0.0 3.01 303 230 A 7 VAL H A 29 CYS HB3 1.0 0.0 4.05 304 231 A 8 CYS H A 9 GLY H 1.0 0.0 3.05 305 232 A 8 CYS H A 5 CYS HB3 1.0 0.0 3.73 306 233 A 8 CYS H A 7 VAL HB 1.0 0.0 2.76 307 234 A 8 CYS H A 8 CYS HB3 1.0 0.0 3.14 308 235 A 8 CYS H A 29 CYS HB3 1.0 0.0 4.48 309 236 A 8 CYS H A 7 VAL HG1% 1.0 0.0 2.99 310 237 A 7 VAL HG1% A 9 GLY H 1.0 0.0 4.61 311 238 A 13 PHE H A 3 VAL HGx% 1.0 0.0 4.66 312 239 A 14 LYS H A 13 PHE HB3 1.0 0.0 4.18 313 240 A 14 LYS H A 13 PHE HB2 1.0 0.0 3.75 314 241 A 14 LYS H A 14 LYS HG2 1.0 0.0 4.75 315 242 A 15 TYR HD% A 16 LYS H 1.0 0.0 4.29 316 243 A 15 TYR HA A 16 LYS H 1.0 0.0 3.00 317 244 A 16 LYS H A 15 TYR HB3 1.0 0.0 3.47 318 245 A 16 LYS H A 16 LYS HBx 1.0 0.0 3.31 319 245 A 16 LYS HBy A 16 LYS H 1.0 0.0 3.31 320 246 A 22 VAL HG1% A 22 VAL H 1.0 0.0 3.62 321 247 A 21 LEU HG A 22 VAL H 1.0 0.0 5.26 322 248 A 21 LEU HB2 A 22 VAL H 1.0 0.0 4.28 323 249 A 16 LYS H A 24 THR H 1.0 0.0 5.04 324 250 A 25 CYS H A 24 THR H 1.0 0.0 4.56 325 251 A 25 CYS H A 13 PHE HA 1.0 0.0 4.93 326 252 A 25 CYS H A 5 CYS HB2 1.0 0.0 3.38 327 253 A 24 THR HG2% A 25 CYS H 1.0 0.0 3.52 328 254 A 7 VAL HB A 25 CYS H 1.0 0.0 4.92 329 255 A 26 SER H A 29 CYS H 1.0 0.0 3.77 330 256 A 24 THR HA A 26 SER H 1.0 0.0 4.26 331 257 A 24 THR HB A 26 SER H 1.0 0.0 3.01 332 258 A 26 SER H A 25 CYS HB3 1.0 0.0 4.41 333 259 A 29 CYS HB3 A 26 SER H 1.0 0.0 4.00 334 260 A 29 CYS HB2 A 26 SER H 1.0 0.0 3.06 335 261 A 26 SER H A 25 CYS HB2 1.0 0.0 4.28 336 262 A 30 SER H A 28 GLU H 1.0 0.0 4.78 337 263 A 28 GLU H A 29 CYS H 1.0 0.0 3.77 338 264 A 26 SER H A 28 GLU H 1.0 0.0 5.20 339 265 A 28 GLU H A 26 SER HB3 1.0 0.0 3.80 340 266 A 28 GLU H A 26 SER HB2 1.0 0.0 3.80 341 267 A 28 GLU H A 27 LEU HB3 1.0 0.0 3.83 342 268 A 28 GLU H A 27 LEU HB2 1.0 0.0 3.83 343 269 A 28 GLU H A 28 GLU HB2 1.0 0.0 3.40 344 270 A 28 GLU HB3 A 28 GLU H 1.0 0.0 3.22 345 271 A 28 GLU H A 27 LEU HD1% 1.0 0.0 5.34 346 272 A 25 CYS H A 29 CYS H 1.0 0.0 5.02 347 273 A 24 THR HG2% A 29 CYS H 1.0 0.0 4.22 348 274 A 28 GLU HB3 A 29 CYS H 1.0 0.0 3.38 349 275 A 30 SER H A 31 LYS H 1.0 0.0 3.77 350 276 A 37 ASP H A 38 ASN H 1.0 0.0 3.17 351 277 A 37 ASP H A 33 HIS HA 1.0 0.0 4.83 352 278 A 37 ASP H A 36 ARG HBx 1.0 0.0 3.85 353 278 A 37 ASP H A 36 ARG HBy 1.0 0.0 3.85 354 279 A 38 ASN HB2 A 38 ASN HD21 1.0 0.0 3.95 355 280 A 38 ASN HB2 A 38 ASN HD22 1.0 0.0 3.95 356 281 A 40 SER H A 40 SER HB3 1.0 0.0 3.75 357 282 A 40 SER H A 39 CYS HA 1.0 0.0 2.89 358 283 A 40 SER H A 19 ARG HD3 1.0 0.0 4.59 359 284 A 40 SER H A 19 ARG HD2 1.0 0.0 4.59 360 285 A 40 SER H A 40 SER HB2 1.0 0.0 3.75 361 286 A 42 GLN H A 19 ARG HD2 1.0 0.0 5.19 362 287 A 42 GLN H A 19 ARG HGx 1.0 0.0 4.35 363 287 A 42 GLN H A 19 ARG HGy 1.0 0.0 4.35 364 288 A 42 GLN H A 18 PRO HB2 1.0 0.0 4.84 365 289 A 42 GLN HE21 A 42 GLN HBx 1.0 0.0 4.37 366 289 A 42 GLN HBy A 42 GLN HE21 1.0 0.0 4.37 367 290 A 42 GLN HE22 A 42 GLN HBx 1.0 0.0 4.37 368 290 A 42 GLN HBy A 42 GLN HE22 1.0 0.0 4.37 369 291 A 43 THR H A 18 PRO HB2 1.0 0.0 5.32 370 292 A 13 PHE H A 12 GLU HGx 1.0 0.0 3.52 371 292 A 13 PHE H A 12 GLU HGy 1.0 0.0 3.52 372 293 A 2 ALA H A 3 VAL H 1.0 0.0 4.42 373 294 A 43 THR HA A 45 ASP H 1.0 0.0 6.00 374 295 A 3 VAL H A 2 ALA HA 1.0 0.0 2.98 375 296 A 3 VAL HB A 2 ALA HA 1.0 0.0 4.68 376 297 A 3 VAL HGx% A 4 LEU HA 1.0 0.0 4.63 377 298 A 24 THR HG2% A 6 GLY HA2 1.0 0.0 5.58 378 299 A 24 THR HG2% A 6 GLY HA3 1.0 0.0 5.36 379 300 A 7 VAL HG1% A 32 LYS HDx 1.0 0.0 3.61 380 300 A 7 VAL HG1% A 32 LYS HDy 1.0 0.0 3.61 381 301 A 7 VAL H A 7 VAL HG1% 1.0 0.0 3.81 382 302 A 8 CYS HB2 A 7 VAL HG1% 1.0 0.0 4.58 383 303 A 7 VAL HG1% A 32 LYS HEx 1.0 0.0 4.06 384 303 A 7 VAL HG1% A 32 LYS HEy 1.0 0.0 4.06 385 304 A 7 VAL HG1% A 29 CYS HB3 1.0 0.0 3.90 386 305 A 7 VAL HG2% A 33 HIS HA 1.0 0.0 4.62 387 306 A 8 CYS HB2 A 10 ILE H 1.0 0.0 4.92 388 307 A 8 CYS HB3 A 10 ILE H 1.0 0.0 6.00 389 308 A 4 LEU HB3 A 9 GLY HAx 1.0 0.0 4.12 390 308 A 9 GLY HAy A 4 LEU HB3 1.0 0.0 4.12 391 309 A 4 LEU HD1% A 9 GLY HAx 1.0 0.0 4.20 392 309 A 9 GLY HAy A 4 LEU HD1% 1.0 0.0 4.20 393 310 A 8 CYS HB2 A 9 GLY HAx 1.0 0.0 5.03 394 310 A 9 GLY HAy A 8 CYS HB2 1.0 0.0 5.03 395 311 A 10 ILE HA A 10 ILE HG13 1.0 0.0 3.78 396 312 A 10 ILE HA A 4 LEU HD1% 1.0 0.0 3.97 397 313 A 10 ILE HG12 A 9 GLY HAx 1.0 0.0 5.60 398 313 A 9 GLY HAy A 10 ILE HG12 1.0 0.0 5.60 399 314 A 10 ILE HG2% A 10 ILE HG12 1.0 0.0 3.60 400 315 A 10 ILE HG2% A 9 GLY HAx 1.0 0.0 4.30 401 315 A 9 GLY HAy A 10 ILE HG2% 1.0 0.0 4.30 402 316 A 11 LYS HA A 11 LYS HG3 1.0 0.0 4.18 403 317 A 12 GLU HA A 12 GLU HGx 1.0 0.0 3.05 404 317 A 12 GLU HA A 12 GLU HGy 1.0 0.0 3.05 405 318 A 12 GLU HA A 4 LEU HD2% 1.0 0.0 3.34 406 319 A 4 LEU HD2% A 12 GLU HBx 1.0 0.0 4.40 407 319 A 4 LEU HD2% A 12 GLU HBy 1.0 0.0 4.40 408 320 A 13 PHE HA A 14 LYS HBx 1.0 0.0 4.30 409 320 A 14 LYS HBy A 13 PHE HA 1.0 0.0 4.30 410 321 A 14 LYS HA A 14 LYS HBx 1.0 0.0 2.87 411 321 A 14 LYS HBy A 14 LYS HA 1.0 0.0 2.87 412 322 A 14 LYS HA A 14 LYS HG2 1.0 0.0 3.73 413 323 A 14 LYS HA A 14 LYS HG3 1.0 0.0 3.57 414 324 A 21 LEU HD1% A 16 LYS HG2 1.0 0.0 4.68 415 325 A 21 LEU HD2% A 18 PRO HA 1.0 0.0 3.66 416 326 A 18 PRO HA A 21 LEU H 1.0 0.0 4.88 417 327 A 43 THR HA A 18 PRO HB3 1.0 0.0 6.00 418 328 A 18 PRO HB3 A 43 THR HB 1.0 0.0 6.00 419 329 A 18 PRO HG3 A 19 ARG HGx 1.0 0.0 5.30 420 329 A 18 PRO HG3 A 19 ARG HGy 1.0 0.0 5.30 421 330 A 19 ARG HA A 19 ARG HGx 1.0 0.0 2.97 422 330 A 19 ARG HA A 19 ARG HGy 1.0 0.0 2.97 423 331 A 43 THR HG2% A 19 ARG HA 1.0 0.0 4.01 424 332 A 21 LEU HD2% A 19 ARG HA 1.0 0.0 4.46 425 333 A 19 ARG HA A 19 ARG HD2 1.0 0.0 4.78 426 334 A 21 LEU HD2% A 20 CYS HA 1.0 0.0 4.33 427 335 A 19 ARG HB3 A 20 CYS HB2 1.0 0.0 5.80 428 336 A 21 LEU HB2 A 20 CYS HB2 1.0 0.0 6.00 429 337 A 21 LEU HA A 22 VAL HA 1.0 0.0 4.80 430 338 A 22 VAL HG1% A 22 VAL HA 1.0 0.0 3.34 431 339 A 16 LYS HG3 A 23 GLN HG3 1.0 0.0 5.22 432 340 A 13 PHE HB2 A 23 GLN HG2 1.0 0.0 5.19 433 341 A 24 THR HG2% A 22 VAL HG2% 1.0 0.0 3.61 434 342 A 24 THR HG2% A 29 CYS HA 1.0 0.0 4.07 435 343 A 29 CYS HA A 28 GLU HA 1.0 0.0 4.75 436 344 A 28 GLU HA A 31 LYS HG2 1.0 0.0 4.59 437 345 A 28 GLU HA A 28 GLU HB2 1.0 0.0 2.78 438 346 A 28 GLU HA A 31 LYS HDx 1.0 0.0 3.61 439 346 A 28 GLU HA A 31 LYS HDy 1.0 0.0 3.61 440 347 A 28 GLU HA A 28 GLU HG2 1.0 0.0 3.81 441 348 A 29 CYS HA A 7 VAL HG2% 1.0 0.0 4.01 442 349 A 29 CYS HA A 32 LYS HDx 1.0 0.0 3.82 443 349 A 29 CYS HA A 32 LYS HDy 1.0 0.0 3.82 444 350 A 29 CYS HA A 32 LYS HB3 1.0 0.0 3.41 445 351 A 29 CYS HA A 32 LYS HB2 1.0 0.0 3.27 446 352 A 32 LYS HB2 A 29 CYS HB2 1.0 0.0 5.41 447 353 A 29 CYS HB2 A 25 CYS HB3 1.0 0.0 5.47 448 354 A 29 CYS HB3 A 25 CYS HB3 1.0 0.0 5.96 449 355 A 8 CYS H A 29 CYS HB2 1.0 0.0 5.50 450 356 A 31 LYS HA A 31 LYS HBx 1.0 0.0 2.89 451 356 A 31 LYS HBy A 31 LYS HA 1.0 0.0 2.89 452 357 A 32 LYS HEy A 32 LYS HG2 1.0 0.0 4.03 453 357 A 32 LYS HEx A 32 LYS HG2 1.0 0.0 4.03 454 358 A 31 LYS HA A 31 LYS HG2 1.0 0.0 4.16 455 359 A 32 LYS HB2 A 32 LYS HA 1.0 0.0 2.99 456 360 A 32 LYS HA A 35 THR HG2% 1.0 0.0 4.01 457 361 A 32 LYS HA A 32 LYS HDx 1.0 0.0 3.73 458 361 A 32 LYS HDy A 32 LYS HA 1.0 0.0 3.73 459 362 A 38 ASN HA A 34 LYS HBx 1.0 0.0 4.67 460 362 A 34 LYS HBy A 38 ASN HA 1.0 0.0 4.67 461 363 A 35 THR HA A 34 LYS HBx 1.0 0.0 4.56 462 363 A 34 LYS HBy A 35 THR HA 1.0 0.0 4.56 463 364 A 35 THR HG2% A 35 THR HA 1.0 0.0 3.27 464 365 A 35 THR HG2% A 36 ARG HA 1.0 0.0 4.27 465 366 A 36 ARG HA A 36 ARG HG3 1.0 0.0 3.85 466 367 A 36 ARG HA A 36 ARG HBx 1.0 0.0 2.89 467 367 A 36 ARG HBy A 36 ARG HA 1.0 0.0 2.89 468 368 A 35 THR HG2% A 34 LYS HBx 1.0 0.0 4.83 469 368 A 34 LYS HBy A 35 THR HG2% 1.0 0.0 4.83 470 369 A 33 HIS HA A 36 ARG HBx 1.0 0.0 4.89 471 369 A 36 ARG HBy A 33 HIS HA 1.0 0.0 4.89 472 370 A 37 ASP H A 38 ASN HA 1.0 0.0 4.39 473 371 A 40 SER HA A 34 LYS HEx 1.0 0.0 4.46 474 371 A 34 LYS HEy A 40 SER HA 1.0 0.0 4.46 475 372 A 40 SER HA A 34 LYS HDx 1.0 0.0 4.00 476 372 A 40 SER HA A 34 LYS HDy 1.0 0.0 4.00 477 373 A 40 SER HA A 34 LYS HBx 1.0 0.0 4.50 478 373 A 34 LYS HBy A 40 SER HA 1.0 0.0 4.50 479 374 A 10 ILE HA A 4 LEU HD2% 1.0 0.0 4.13 480 375 A 43 THR HA A 19 ARG HGx 1.0 0.0 4.30 481 375 A 43 THR HA A 19 ARG HGy 1.0 0.0 4.30 482 376 A 41 GLY HA3 A 19 ARG HGx 1.0 0.0 4.86 483 376 A 41 GLY HA3 A 19 ARG HGy 1.0 0.0 4.86 484 377 A 19 ARG HB2 A 41 GLY HA3 1.0 0.0 6.00 485 378 A 39 CYS HA A 40 SER HA 1.0 0.0 4.44 486 379 A 15 TYR HD% A 14 LYS HA 1.0 0.0 4.30 487 380 A 12 GLU HA A 13 PHE HD% 1.0 0.0 4.26 488 381 A 13 PHE HD% A 23 GLN HB2 1.0 0.0 4.46 489 382 A 17 CYS HA A 33 HIS HE1 1.0 0.0 4.86 490 383 A 4 LEU H A 4 LEU HG 1.0 0.0 3.75 491 384 A 3 VAL HB A 4 LEU H 1.0 0.0 5.24 492 385 A 24 THR HA A 6 GLY H 1.0 0.0 3.95 493 386 A 22 VAL HG1% A 6 GLY H 1.0 0.0 5.00 494 387 A 6 GLY H A 23 GLN HB2 1.0 0.0 4.49 495 388 A 7 VAL HB A 6 GLY H 1.0 0.0 5.14 496 389 A 5 CYS HB3 A 6 GLY H 1.0 0.0 4.67 497 390 A 6 GLY H A 5 CYS HA 1.0 0.0 3.09 498 391 A 7 VAL H A 6 GLY H 1.0 0.0 3.46 499 392 A 7 VAL H A 5 CYS HB2 1.0 0.0 4.86 500 393 A 7 VAL H A 8 CYS HA 1.0 0.0 5.58 501 394 A 8 CYS H A 6 GLY H 1.0 0.0 4.91 502 395 A 19 ARG H A 20 CYS H 1.0 0.0 3.30 503 396 A 19 ARG HB3 A 19 ARG H 1.0 0.0 3.96 504 397 A 19 ARG H A 19 ARG HGx 1.0 0.0 4.21 505 397 A 19 ARG HGy A 19 ARG H 1.0 0.0 4.21 506 398 A 19 ARG H A 17 CYS HBx 1.0 0.0 3.51 507 398 A 17 CYS HBy A 19 ARG H 1.0 0.0 3.51 508 399 A 10 ILE H A 5 CYS HB2 1.0 0.0 4.57 509 400 A 13 PHE H A 5 CYS H 1.0 0.0 5.18 510 401 A 13 PHE H A 14 LYS H 1.0 0.0 5.54 511 402 A 13 PHE H A 13 PHE HB3 1.0 0.0 3.12 512 403 A 13 PHE H A 12 GLU HBx 1.0 0.0 3.63 513 403 A 13 PHE H A 12 GLU HBy 1.0 0.0 3.63 514 404 A 14 LYS H A 24 THR H 1.0 0.0 4.65 515 405 A 14 LYS H A 15 TYR H 1.0 0.0 2.88 516 406 A 14 LYS H A 13 PHE HA 1.0 0.0 3.26 517 407 A 14 LYS H A 15 TYR HB2 1.0 0.0 4.36 518 408 A 14 LYS H A 14 LYS HG3 1.0 0.0 4.80 519 409 A 15 TYR HD% A 17 CYS H 1.0 0.0 6.00 520 410 A 23 GLN HA A 17 CYS H 1.0 0.0 4.63 521 411 A 17 CYS H A 18 PRO HDx 1.0 0.0 5.16 522 411 A 18 PRO HDy A 17 CYS H 1.0 0.0 5.16 523 412 A 21 LEU HA A 17 CYS H 1.0 0.0 5.39 524 413 A 17 CYS H A 16 LYS HBx 1.0 0.0 4.59 525 413 A 16 LYS HBy A 17 CYS H 1.0 0.0 4.59 526 414 A 22 VAL H A 20 CYS H 1.0 0.0 4.56 527 415 A 20 CYS H A 17 CYS HBx 1.0 0.0 3.98 528 415 A 17 CYS HBy A 20 CYS H 1.0 0.0 3.98 529 416 A 19 ARG HB3 A 20 CYS H 1.0 0.0 3.65 530 417 A 19 ARG HB2 A 20 CYS H 1.0 0.0 3.64 531 418 A 21 LEU H A 19 ARG H 1.0 0.0 4.13 532 419 A 21 LEU HA A 21 LEU H 1.0 0.0 2.87 533 420 A 21 LEU HB3 A 21 LEU H 1.0 0.0 4.07 534 421 A 21 LEU H A 20 CYS HB3 1.0 0.0 4.30 535 422 A 21 LEU H A 17 CYS HBx 1.0 0.0 3.60 536 422 A 17 CYS HBy A 21 LEU H 1.0 0.0 3.60 537 423 A 21 LEU HG A 21 LEU H 1.0 0.0 3.93 538 424 A 22 VAL H A 21 LEU H 1.0 0.0 3.66 539 425 A 22 VAL H A 23 GLN H 1.0 0.0 4.29 540 426 A 22 VAL HG2% A 22 VAL H 1.0 0.0 3.84 541 427 A 22 VAL H A 22 VAL HB 1.0 0.0 3.29 542 428 A 22 VAL H A 17 CYS HBx 1.0 0.0 3.34 543 428 A 17 CYS HBy A 22 VAL H 1.0 0.0 3.34 544 429 A 22 VAL H A 20 CYS HB2 1.0 0.0 5.18 545 430 A 23 GLN H A 23 GLN HB3 1.0 0.0 3.96 546 431 A 23 GLN HB2 A 23 GLN H 1.0 0.0 3.46 547 432 A 15 TYR H A 24 THR H 1.0 0.0 3.95 548 433 A 24 THR H A 17 CYS H 1.0 0.0 4.10 549 434 A 5 CYS HA A 24 THR H 1.0 0.0 5.50 550 435 A 13 PHE HA A 24 THR H 1.0 0.0 6.00 551 436 A 24 THR H A 16 LYS HA 1.0 0.0 3.94 552 437 A 23 GLN HA A 24 THR H 1.0 0.0 2.87 553 438 A 24 THR H A 23 GLN HB3 1.0 0.0 4.04 554 439 A 24 THR H A 23 GLN HG3 1.0 0.0 5.13 555 440 A 13 PHE HB3 A 24 THR H 1.0 0.0 5.12 556 441 A 15 TYR HB2 A 24 THR H 1.0 0.0 4.09 557 442 A 13 PHE HB2 A 24 THR H 1.0 0.0 3.73 558 443 A 14 LYS H A 25 CYS H 1.0 0.0 4.54 559 444 A 24 THR HA A 25 CYS H 1.0 0.0 2.89 560 445 A 25 CYS H A 25 CYS HB3 1.0 0.0 3.27 561 446 A 30 SER H A 26 SER H 1.0 0.0 4.15 562 447 A 26 SER H A 25 CYS H 1.0 0.0 3.15 563 448 A 24 THR HG2% A 26 SER H 1.0 0.0 3.98 564 449 A 29 CYS H A 31 LYS H 1.0 0.0 4.45 565 450 A 30 SER H A 29 CYS H 1.0 0.0 3.22 566 451 A 29 CYS H A 28 GLU HB2 1.0 0.0 3.94 567 452 A 29 CYS HB3 A 29 CYS H 1.0 0.0 3.50 568 453 A 29 CYS HB2 A 29 CYS H 1.0 0.0 3.04 569 454 A 30 SER H A 32 LYS H 1.0 0.0 4.67 570 455 A 30 SER H A 28 GLU HB3 1.0 0.0 5.11 571 456 A 32 LYS H A 31 LYS H 1.0 0.0 3.59 572 457 A 29 CYS HA A 32 LYS H 1.0 0.0 3.59 573 458 A 7 VAL HG1% A 32 LYS H 1.0 0.0 4.99 574 459 A 24 THR HG2% A 32 LYS H 1.0 0.0 5.32 575 460 A 33 HIS H A 34 LYS H 1.0 0.0 3.72 576 461 A 33 HIS H A 33 HIS HBy 1.0 0.0 3.34 577 462 A 33 HIS H A 33 HIS HBx 1.0 0.0 3.82 578 463 A 33 HIS H A 32 LYS HDx 1.0 0.0 5.87 579 463 A 33 HIS H A 32 LYS HDy 1.0 0.0 5.87 580 464 A 33 HIS H A 32 LYS HB3 1.0 0.0 3.64 581 465 A 33 HIS H A 32 LYS HB2 1.0 0.0 3.75 582 466 A 37 ASP H A 37 ASP HB3 1.0 0.0 3.79 583 467 A 37 ASP H A 37 ASP HB2 1.0 0.0 3.79 584 468 A 38 ASN H A 38 ASN HB3 1.0 0.0 4.01 585 469 A 38 ASN H A 37 ASP HB2 1.0 0.0 4.71 586 470 A 34 LYS HA A 39 CYS H 1.0 0.0 3.99 587 471 A 39 CYS H A 39 CYS HB3 1.0 0.0 4.20 588 472 A 39 CYS H A 39 CYS HB2 1.0 0.0 4.20 589 473 A 19 ARG HB2 A 19 ARG H 1.0 0.0 3.41 590 474 A 19 ARG H A 18 PRO HDx 1.0 0.0 3.32 591 474 A 18 PRO HDy A 19 ARG H 1.0 0.0 3.32 592 475 A 18 PRO HG2 A 19 ARG H 1.0 0.0 4.22 593 476 A 18 PRO HG3 A 19 ARG H 1.0 0.0 4.75 594 477 A 39 CYS H A 34 LYS HBx 1.0 0.0 5.52 595 477 A 34 LYS HBy A 39 CYS H 1.0 0.0 5.52 596 478 A 4 LEU HG A 3 VAL HA 1.0 0.0 4.38 597 479 A 13 PHE HD% A 3 VAL HA 1.0 0.0 4.22 598 480 A 4 LEU H A 3 VAL HA 1.0 0.0 3.42 599 481 A 4 LEU HA A 4 LEU HG 1.0 0.0 4.07 600 482 A 7 VAL HA A 22 VAL HG2% 1.0 0.0 3.98 601 483 A 8 CYS HB3 A 7 VAL HB 1.0 0.0 4.56 602 484 A 7 VAL HG1% A 33 HIS HBx 1.0 0.0 5.83 603 485 A 7 VAL HG2% A 33 HIS HBx 1.0 0.0 4.75 604 486 A 8 CYS HB2 A 8 CYS HA 1.0 0.0 2.95 605 487 A 7 VAL HG1% A 8 CYS HA 1.0 0.0 3.89 606 488 A 10 ILE HD1% A 11 LYS HEx 1.0 0.0 5.43 607 488 A 10 ILE HD1% A 11 LYS HEy 1.0 0.0 5.43 608 489 A 12 GLU HA A 5 CYS H 1.0 0.0 4.50 609 490 A 13 PHE HB2 A 23 GLN HB2 1.0 0.0 4.62 610 491 A 15 TYR HE% A 15 TYR HA 1.0 0.0 4.82 611 492 A 23 GLN HA A 16 LYS HA 1.0 0.0 3.18 612 493 A 23 GLN HG2 A 16 LYS HA 1.0 0.0 4.11 613 494 A 16 LYS HG2 A 16 LYS HA 1.0 0.0 4.00 614 495 A 16 LYS HG3 A 16 LYS HA 1.0 0.0 3.94 615 496 A 17 CYS H A 16 LYS HA 1.0 0.0 3.14 616 497 A 16 LYS HBx A 18 PRO HDx 1.0 0.0 5.53 617 497 A 16 LYS HBy A 18 PRO HDx 1.0 0.0 5.53 618 497 A 18 PRO HDy A 16 LYS HBx 1.0 0.0 5.53 619 497 A 18 PRO HDy A 16 LYS HBy 1.0 0.0 5.53 620 498 A 21 LEU HA A 16 LYS HBx 1.0 0.0 5.76 621 498 A 21 LEU HA A 16 LYS HBy 1.0 0.0 5.76 622 499 A 13 PHE HD% A 16 LYS HBx 1.0 0.0 5.48 623 499 A 13 PHE HD% A 16 LYS HBy 1.0 0.0 5.48 624 500 A 21 LEU HD2% A 16 LYS HDx 1.0 0.0 4.39 625 500 A 21 LEU HD2% A 16 LYS HDy 1.0 0.0 4.39 626 501 A 13 PHE HE% A 16 LYS HDx 1.0 0.0 4.42 627 501 A 13 PHE HE% A 16 LYS HDy 1.0 0.0 4.42 628 502 A 17 CYS HA A 18 PRO HA 1.0 0.0 4.64 629 503 A 20 CYS H A 19 ARG HGx 1.0 0.0 4.70 630 503 A 19 ARG HGy A 20 CYS H 1.0 0.0 4.70 631 504 A 20 CYS HA A 19 ARG HB3 1.0 0.0 4.21 632 505 A 19 ARG HB3 A 20 CYS HB3 1.0 0.0 5.80 633 506 A 21 LEU HB2 A 20 CYS HB3 1.0 0.0 6.00 634 507 A 21 LEU HA A 16 LYS HEx 1.0 0.0 5.06 635 507 A 21 LEU HA A 16 LYS HEy 1.0 0.0 5.06 636 508 A 21 LEU HA A 20 CYS HB3 1.0 0.0 6.00 637 509 A 21 LEU HA A 17 CYS HBx 1.0 0.0 4.29 638 509 A 21 LEU HA A 17 CYS HBy 1.0 0.0 4.29 639 510 A 21 LEU HA A 21 LEU HG 1.0 0.0 3.74 640 511 A 21 LEU HD2% A 21 LEU HB2 1.0 0.0 3.32 641 512 A 22 VAL HA A 23 GLN HG3 1.0 0.0 4.61 642 513 A 22 VAL HA A 23 GLN H 1.0 0.0 2.77 643 514 A 23 GLN HA A 16 LYS HG2 1.0 0.0 4.91 644 515 A 16 LYS HG3 A 23 GLN HA 1.0 0.0 4.71 645 516 A 23 GLN HA A 23 GLN HG2 1.0 0.0 3.73 646 517 A 23 GLN HA A 23 GLN HG3 1.0 0.0 3.87 647 518 A 23 GLN HG2 A 23 GLN H 1.0 0.0 4.50 648 519 A 15 TYR HD% A 24 THR HA 1.0 0.0 6.00 649 520 A 14 LYS H A 24 THR HA 1.0 0.0 5.16 650 521 A 26 SER HA A 24 THR HB 1.0 0.0 5.01 651 522 A 25 CYS HB3 A 11 LYS HDx 1.0 0.0 4.26 652 522 A 25 CYS HB3 A 11 LYS HDy 1.0 0.0 4.26 653 523 A 27 LEU HA A 26 SER HA 1.0 0.0 4.58 654 524 A 28 GLU HA A 31 LYS HG3 1.0 0.0 4.59 655 525 A 28 GLU HA A 31 LYS H 1.0 0.0 4.14 656 526 A 33 HIS H A 29 CYS HA 1.0 0.0 4.90 657 527 A 33 HIS H A 30 SER HA 1.0 0.0 4.61 658 528 A 31 LYS HA A 31 LYS HG3 1.0 0.0 4.16 659 529 A 31 LYS HA A 34 LYS HDx 1.0 0.0 3.35 660 529 A 31 LYS HA A 34 LYS HDy 1.0 0.0 3.35 661 530 A 31 LYS HBx A 34 LYS HDx 1.0 0.0 3.53 662 530 A 31 LYS HBy A 34 LYS HDx 1.0 0.0 3.53 663 530 A 34 LYS HDy A 31 LYS HBx 1.0 0.0 3.53 664 530 A 31 LYS HBy A 34 LYS HDy 1.0 0.0 3.53 665 531 A 28 GLU HA A 31 LYS HEx 1.0 0.0 4.60 666 531 A 28 GLU HA A 31 LYS HEy 1.0 0.0 4.60 667 532 A 34 LYS HGy A 34 LYS HA 1.0 0.0 4.04 668 533 A 34 LYS HA A 34 LYS HGx 1.0 0.0 4.04 669 534 A 35 THR HA A 34 LYS H 1.0 0.0 5.10 670 535 A 35 THR HG2% A 36 ARG HBx 1.0 0.0 4.40 671 535 A 36 ARG HBy A 35 THR HG2% 1.0 0.0 4.40 672 536 A 41 GLY HA3 A 34 LYS HDx 1.0 0.0 5.79 673 536 A 41 GLY HA3 A 34 LYS HDy 1.0 0.0 5.79 674 537 A 42 GLN HA A 42 GLN HGx 1.0 0.0 3.72 675 537 A 42 GLN HA A 42 GLN HGy 1.0 0.0 3.72 676 538 A 18 PRO HDx A 19 ARG HGx 1.0 0.0 5.78 677 538 A 18 PRO HDy A 19 ARG HGx 1.0 0.0 5.78 678 538 A 19 ARG HGy A 18 PRO HDx 1.0 0.0 5.78 679 538 A 18 PRO HDy A 19 ARG HGy 1.0 0.0 5.78 680 539 A 15 TYR HD% A 18 PRO HDx 1.0 0.0 6.00 681 539 A 15 TYR HD% A 18 PRO HDy 1.0 0.0 6.00 682 540 A 21 LEU HA A 20 CYS HB2 1.0 0.0 6.00 683 541 A 15 TYR HD% A 15 TYR H 1.0 0.0 3.70 684 542 A 14 LYS H A 15 TYR HE% 1.0 0.0 5.07 685 543 A 15 TYR HE% A 14 LYS HEx 1.0 0.0 4.78 686 543 A 15 TYR HE% A 14 LYS HEy 1.0 0.0 4.78 687 544 A 15 TYR HE% A 27 LEU HG 1.0 0.0 4.37 688 545 A 13 PHE HE% A 3 VAL HA 1.0 0.0 5.13 689 546 A 14 LYS HA A 13 PHE HE% 1.0 0.0 4.80 690 547 A 13 PHE HE% A 16 LYS HBx 1.0 0.0 4.24 691 547 A 16 LYS HBy A 13 PHE HE% 1.0 0.0 4.24 692 548 A 13 PHE HE% A 23 GLN HB3 1.0 0.0 4.80 693 549 A 3 VAL HB A 13 PHE HE% 1.0 0.0 3.96 694 550 A 13 PHE HD% A 13 PHE HA 1.0 0.0 4.32 695 551 A 13 PHE HD% A 23 GLN HG2 1.0 0.0 3.82 696 552 A 13 PHE HD% A 15 TYR HB2 1.0 0.0 5.10 697 553 A 33 HIS HE1 A 34 LYS HEx 1.0 0.0 4.03 698 553 A 34 LYS HEy A 33 HIS HE1 1.0 0.0 4.03 699 554 A 24 THR HG2% A 33 HIS HE1 1.0 0.0 3.41 700 555 A 33 HIS HD2 A 34 LYS HEx 1.0 0.0 4.56 701 555 A 34 LYS HEy A 33 HIS HD2 1.0 0.0 4.56 702 556 A 15 TYR HD% A 26 SER HB2 1.0 0.0 5.45 703 557 A 15 TYR HD% A 27 LEU HD1% 1.0 0.0 5.64 704 558 A 30 SER H A 30 SER HB3 1.0 0.0 3.74 705 559 A 33 HIS HE1 A 17 CYS HBx 1.0 0.0 4.43 706 559 A 17 CYS HBy A 33 HIS HE1 1.0 0.0 4.43 707 560 A 7 VAL H A 8 CYS H 1.0 0.0 3.09 708 561 A 13 PHE HD% A 24 THR H 1.0 0.0 4.39 709 562 A 33 HIS H A 32 LYS H 1.0 0.0 3.37 710 563 A 22 VAL H A 17 CYS H 1.0 0.0 4.46 711 564 A 10 ILE H A 9 GLY H 1.0 0.0 3.93 712 565 A 30 SER H A 25 CYS H 1.0 0.0 5.35 713 566 A 24 THR HA A 5 CYS HA 1.0 0.0 3.95 714 567 A 29 CYS HB3 A 24 THR HA 1.0 0.0 4.52 715 568 A 24 THR HA A 25 CYS HB3 1.0 0.0 4.86 716 569 A 24 THR HG2% A 24 THR HA 1.0 0.0 3.05 717 570 A 24 THR HB A 25 CYS H 1.0 0.0 3.08 718 571 A 5 CYS HB3 A 5 CYS H 1.0 0.0 3.44 719 572 A 5 CYS HB3 A 10 ILE H 1.0 0.0 4.12 720 573 A 5 CYS HB3 A 9 GLY H 1.0 0.0 3.75 721 574 A 25 CYS H A 25 CYS HB2 1.0 0.0 3.68 722 575 A 29 CYS HB3 A 25 CYS H 1.0 0.0 3.84 723 576 A 29 CYS HB2 A 25 CYS H 1.0 0.0 3.63 724 577 A 15 TYR HB3 A 24 THR H 1.0 0.0 4.56 725 578 A 7 VAL H A 22 VAL HG2% 1.0 0.0 3.93 726 579 A 6 GLY H A 22 VAL HG2% 1.0 0.0 4.11 727 580 A 7 VAL H A 22 VAL HG1% 1.0 0.0 4.92 728 581 A 22 VAL HG1% A 17 CYS H 1.0 0.0 3.69 729 582 A 22 VAL HG1% A 33 HIS HE1 1.0 0.0 4.02 730 583 A 23 GLN HG3 A 23 GLN H 1.0 0.0 3.90 731 584 A 14 LYS H A 25 CYS HA 1.0 0.0 3.40 732 585 A 5 CYS H A 4 LEU HA 1.0 0.0 3.14 733 586 A 20 CYS H A 18 PRO HDx 1.0 0.0 5.24 734 586 A 18 PRO HDy A 20 CYS H 1.0 0.0 5.24 735 587 A 21 LEU HA A 20 CYS H 1.0 0.0 5.65 736 588 A 30 SER H A 30 SER HB2 1.0 0.0 3.74 737 589 A 34 LYS H A 34 LYS HBx 1.0 0.0 3.58 738 589 A 34 LYS HBy A 34 LYS H 1.0 0.0 3.58 739 590 A 34 LYS H A 34 LYS HDx 1.0 0.0 4.76 740 590 A 34 LYS HDy A 34 LYS H 1.0 0.0 4.76 741 591 A 35 THR HG2% A 34 LYS H 1.0 0.0 4.03 742 592 A 21 LEU H A 20 CYS HB2 1.0 0.0 4.30 743 593 A 10 ILE HB A 10 ILE H 1.0 0.0 3.84 744 594 A 3 VAL H A 12 GLU HGx 1.0 0.0 4.72 745 594 A 3 VAL H A 12 GLU HGy 1.0 0.0 4.72 746 595 A 31 LYS H A 31 LYS HBx 1.0 0.0 3.20 747 595 A 31 LYS HBy A 31 LYS H 1.0 0.0 3.20 748 596 A 10 ILE H A 10 ILE HG13 1.0 0.0 3.79 749 597 A 15 TYR H A 14 LYS HBx 1.0 0.0 4.07 750 597 A 14 LYS HBy A 15 TYR H 1.0 0.0 4.07 751 598 A 33 HIS H A 7 VAL HG2% 1.0 0.0 3.53 752 599 A 22 VAL HG2% A 23 GLN H 1.0 0.0 3.85 753 600 A 5 CYS H A 4 LEU HD2% 1.0 0.0 4.13 754 601 A 4 LEU HB2 A 4 LEU H 1.0 0.0 3.57 755 602 A 30 SER H A 29 CYS HB3 1.0 0.0 3.95 756 603 A 5 CYS H A 5 CYS HB2 1.0 0.0 3.43 757 604 A 30 SER H A 29 CYS HB2 1.0 0.0 3.60 758 605 A 21 LEU HD2% A 21 LEU H 1.0 0.0 3.70 759 606 A 21 LEU HD2% A 20 CYS H 1.0 0.0 5.12 760 607 A 24 THR HG2% A 22 VAL HG1% 1.0 0.0 3.34 761 608 A 7 VAL HG2% A 22 VAL HG1% 1.0 0.0 3.55 762 609 A 34 LYS HA A 39 CYS HB2 1.0 0.0 4.48 763 610 A 13 PHE HD% A 15 TYR HA 1.0 0.0 4.50 764 611 A 13 PHE HE% A 3 VAL HG2% 1.0 0.0 3.76 765 612 A 13 PHE HE% A 23 GLN HG2 1.0 0.0 4.38 766 613 A 13 PHE HD% A 23 GLN HB3 1.0 0.0 3.39 767 614 A 15 TYR HD% A 14 LYS HG2 1.0 0.0 3.72 768 615 A 5 CYS H A 25 CYS H 1.0 0.0 6.00 769 616 A 30 SER H A 24 THR HB 1.0 0.0 3.69 770 617 A 13 PHE H A 4 LEU HA 1.0 0.0 4.02 771 618 A 17 CYS H A 17 CYS HBx 1.0 0.0 3.49 772 618 A 17 CYS HBy A 17 CYS H 1.0 0.0 3.49 773 619 A 13 PHE HB2 A 15 TYR H 1.0 0.0 4.05 774 620 A 12 GLU H A 12 GLU HBx 1.0 0.0 4.17 775 620 A 12 GLU H A 12 GLU HBy 1.0 0.0 4.17 776 621 A 22 VAL HG1% A 23 GLN H 1.0 0.0 4.20 777 622 A 4 LEU HD2% A 4 LEU HA 1.0 0.0 3.09 778 623 A 24 THR HG2% A 30 SER HA 1.0 0.0 2.81 779 624 A 3 VAL HGx% A 3 VAL HA 1.0 0.0 3.38 780 625 A 41 GLY HA2 A 19 ARG HGx 1.0 0.0 3.59 781 625 A 41 GLY HA2 A 19 ARG HGy 1.0 0.0 3.59 782 626 A 22 VAL HG2% A 22 VAL HA 1.0 0.0 3.19 783 627 A 4 LEU HD2% A 4 LEU HB3 1.0 0.0 3.51 784 628 A 13 PHE HB2 A 23 GLN HB3 1.0 0.0 3.81 785 629 A 34 LYS HA A 39 CYS HB3 1.0 0.0 4.48 786 630 A 29 CYS HB2 A 24 THR HB 1.0 0.0 3.27 787 631 A 29 CYS HB3 A 7 VAL HB 1.0 0.0 3.24 788 632 A 13 PHE HB3 A 23 GLN HB2 1.0 0.0 4.06 789 633 A 25 CYS HB3 A 5 CYS HB2 1.0 0.0 3.20 790 634 A -2 GLY HAy A -1 PRO HDx 1.0 0.0 3.31 791 634 A -1 PRO HDy A -2 GLY HAx 1.0 0.0 3.31 792 634 A -2 GLY HAy A -1 PRO HDy 1.0 0.0 3.31 793 634 A -2 GLY HAx A -1 PRO HDx 1.0 0.0 3.31 794 635 A 15 TYR H A 13 PHE HA 1.0 0.0 4.53 795 636 A 36 ARG HA A 36 ARG HG2 1.0 0.0 3.85 796 637 A 32 LYS HB2 A 32 LYS H 1.0 0.0 3.16 797 638 A 10 ILE HG2% A 10 ILE H 1.0 0.0 3.80 798 639 A 10 ILE HD1% A 10 ILE H 1.0 0.0 3.60 799 640 A 38 ASN H A 37 ASP HB3 1.0 0.0 4.71 800 641 A 21 LEU HA A 16 LYS HG2 1.0 0.0 4.43 801 642 A 22 VAL HG1% A 6 GLY HA3 1.0 0.0 4.59 802 643 A 7 VAL HG2% A 33 HIS HBy 1.0 0.0 3.68 803 644 A 4 LEU HB2 A 4 LEU HD2% 1.0 0.0 3.87 804 645 A 7 VAL HG1% A 33 HIS HBy 1.0 0.0 4.54 805 646 A 24 THR HG2% A 17 CYS HBx 1.0 0.0 4.85 806 646 A 24 THR HG2% A 17 CYS HBy 1.0 0.0 4.85 807 647 A 7 VAL HG2% A 24 THR HB 1.0 0.0 4.71 808 648 A 5 CYS HB3 A 9 GLY HAx 1.0 0.0 4.27 809 648 A 9 GLY HAy A 5 CYS HB3 1.0 0.0 4.27 810 649 A 23 GLN HA A 22 VAL HG2% 1.0 0.0 4.81 811 650 A 24 THR HG2% A 23 GLN HA 1.0 0.0 5.11 812 651 A 24 THR HA A 13 PHE HB2 1.0 0.0 4.71 813 652 A 29 CYS HB2 A 24 THR HA 1.0 0.0 5.08 814 653 A 24 THR HA A 5 CYS HB2 1.0 0.0 4.36 815 654 A 13 PHE HD% A 16 LYS HG3 1.0 0.0 5.87 816 655 A 16 LYS HG3 A 13 PHE HE% 1.0 0.0 6.00 817 656 A 2 ALA HA A 3 VAL HG2% 1.0 0.0 3.53 818 657 A 24 THR H A 23 GLN HB2 1.0 0.0 4.42 819 658 A 4 LEU HD2% A 4 LEU H 1.0 0.0 4.59 820 659 A 4 LEU HD2% A 12 GLU HGx 1.0 0.0 4.33 821 659 A 4 LEU HD2% A 12 GLU HGy 1.0 0.0 4.33 822 660 A 26 SER HA A 14 LYS HG2 1.0 0.0 4.77 823 661 A 4 LEU H A 3 VAL HG2% 1.0 0.0 4.87 824 662 A 21 LEU HD1% A 21 LEU H 1.0 0.0 4.57 825 663 A 3 VAL HGx% A 4 LEU H 1.0 0.0 4.23 826 664 A 33 HIS HE1 A 22 VAL HB 1.0 0.0 5.66 827 665 A 32 LYS HB3 A 32 LYS H 1.0 0.0 3.53 828 666 A 21 LEU HD2% A 16 LYS HEx 1.0 0.0 4.26 829 666 A 21 LEU HD2% A 16 LYS HEy 1.0 0.0 4.26 830 667 A 14 LYS H A 25 CYS HB2 1.0 0.0 5.12 831 668 A 15 TYR HE% A 14 LYS HG2 1.0 0.0 4.21 832 669 A 37 ASP H A 33 HIS HBx 1.0 0.0 5.05 833 670 A 15 TYR HD% A 27 LEU HG 1.0 0.0 5.65 834 671 A 32 LYS HB3 A 32 LYS HEx 1.0 0.0 4.45 835 671 A 32 LYS HB3 A 32 LYS HEy 1.0 0.0 4.45 836 672 A 21 LEU HD1% A 21 LEU HB3 1.0 0.0 3.14 837 673 A 10 ILE HD1% A 11 LYS HG3 1.0 0.0 3.77 838 674 A 11 LYS HBy A 11 LYS HEx 1.0 0.0 3.43 839 674 A 11 LYS HBx A 11 LYS HEx 1.0 0.0 3.43 840 674 A 11 LYS HEy A 11 LYS HBx 1.0 0.0 3.43 841 674 A 11 LYS HEy A 11 LYS HBy 1.0 0.0 3.43 842 675 A 37 ASP H A 34 LYS HA 1.0 0.0 4.90 843 676 A 24 THR HB A 29 CYS H 1.0 0.0 4.25 844 677 A 29 CYS H A 26 SER HB3 1.0 0.0 4.51 845 678 A 6 GLY H A 5 CYS HB2 1.0 0.0 4.53 846 679 A 4 LEU HB2 A 5 CYS H 1.0 0.0 4.43 847 680 A 22 VAL HA A 23 GLN HB2 1.0 0.0 4.76 848 681 A 31 LYS HDy A 31 LYS HEx 1.0 0.0 2.98 849 681 A 31 LYS HDx A 31 LYS HEx 1.0 0.0 2.98 850 681 A 31 LYS HEy A 31 LYS HDx 1.0 0.0 2.98 851 681 A 31 LYS HDy A 31 LYS HEy 1.0 0.0 2.98 852 682 A 13 PHE HA A 25 CYS HA 1.0 0.0 4.50 853 683 A 26 SER HA A 15 TYR HB2 1.0 0.0 4.79 854 684 A 24 THR HG2% A 24 THR H 1.0 0.0 3.72 855 685 A 25 CYS HA A 14 LYS HBx 1.0 0.0 4.68 856 685 A 14 LYS HBy A 25 CYS HA 1.0 0.0 4.68 857 686 A 13 PHE HB3 A 23 GLN HB3 1.0 0.0 4.14 858 687 A 14 LYS HG3 A 14 LYS HBx 1.0 0.0 2.94 859 687 A 14 LYS HBy A 14 LYS HG3 1.0 0.0 2.94 860 688 A 14 LYS HG2 A 14 LYS HBx 1.0 0.0 2.55 861 688 A 14 LYS HBy A 14 LYS HG2 1.0 0.0 2.55 862 689 A 10 ILE HG2% A 10 ILE HG13 1.0 0.0 3.55 863 690 A 25 CYS HB2 A 11 LYS HDx 1.0 0.0 3.58 864 690 A 25 CYS HB2 A 11 LYS HDy 1.0 0.0 3.58 865 691 A 9 GLY H A 5 CYS HB2 1.0 0.0 4.78 866 692 A 8 CYS HB3 A 9 GLY H 1.0 0.0 5.45 867 693 A 8 CYS HB2 A 10 ILE HG13 1.0 0.0 4.34 868 694 A 24 THR HG2% A 5 CYS HA 1.0 0.0 5.46 869 695 A 3 VAL HA A 3 VAL HG2% 1.0 0.0 3.53 870 696 A 19 ARG HB2 A 21 LEU H 1.0 0.0 4.71 871 697 A 34 LYS H A 35 THR HB 1.0 0.0 4.60 872 698 A 31 LYS HA A 34 LYS H 1.0 0.0 4.56 873 699 A 5 CYS H A 25 CYS HB3 1.0 0.0 4.59 874 700 A 18 PRO HB2 A 19 ARG H 1.0 0.0 4.17 875 701 A 21 LEU HB2 A 21 LEU H 1.0 0.0 3.85 876 702 A 32 LYS H A 32 LYS HDx 1.0 0.0 4.27 877 702 A 32 LYS HDy A 32 LYS H 1.0 0.0 4.27 878 703 A 13 PHE HD% A 16 LYS HA 1.0 0.0 5.05 879 704 A 13 PHE HD% A 15 TYR H 1.0 0.0 3.63 880 705 A 18 PRO HA A 16 LYS HBx 1.0 0.0 5.66 881 705 A 16 LYS HBy A 18 PRO HA 1.0 0.0 5.66 882 706 A 18 PRO HA A 19 ARG HGx 1.0 0.0 6.00 883 706 A 18 PRO HA A 19 ARG HGy 1.0 0.0 6.00 884 707 A 4 LEU HD1% A 4 LEU HA 1.0 0.0 4.18 885 708 A 21 LEU H A 20 CYS H 1.0 0.0 3.00 886 709 A 3 VAL H A 4 LEU H 1.0 0.0 4.47 887 710 A 38 ASN H A 39 CYS H 1.0 0.0 4.13 888 711 A 15 TYR HD% A 25 CYS H 1.0 0.0 5.10 889 712 A 15 TYR HD% A 24 THR H 1.0 0.0 4.99 890 713 A 22 VAL H A 33 HIS HE1 1.0 0.0 5.03 891 714 A 6 GLY H A 23 GLN H 1.0 0.0 5.00 892 715 A 16 LYS HG3 A 23 GLN H 1.0 0.0 4.95 893 716 A 37 ASP H A 35 THR HG2% 1.0 0.0 4.56 894 717 A 15 TYR HD% A 24 THR HB 1.0 0.0 4.61 895 718 A 13 PHE HD% A 12 GLU HBx 1.0 0.0 5.15 896 718 A 13 PHE HD% A 12 GLU HBy 1.0 0.0 5.15 897 719 A 7 VAL HG2% A 24 THR HA 1.0 0.0 4.51 898 720 A 24 THR HA A 22 VAL HG1% 1.0 0.0 5.36 899 721 A 22 VAL HG1% A 24 THR H 1.0 0.0 5.38 900 722 A 5 CYS H A 4 LEU HG 1.0 0.0 5.25 901 723 A 23 GLN H A 22 VAL HB 1.0 0.0 4.77 902 724 A 10 ILE H A 11 LYS HDx 1.0 0.0 6.00 903 724 A 10 ILE H A 11 LYS HDy 1.0 0.0 6.00 904 725 A 32 LYS HB3 A 29 CYS H 1.0 0.0 6.00 905 726 A 14 LYS H A 15 TYR HA 1.0 0.0 4.82 906 727 A 24 THR H A 23 GLN H 1.0 0.0 5.52 907 728 A 10 ILE H A 8 CYS HA 1.0 0.0 6.00 908 729 A 21 LEU HB3 A 22 VAL H 1.0 0.0 4.94 909 730 A 30 SER H A 7 VAL HB 1.0 0.0 6.00 910 731 A 5 CYS H A 12 GLU HGx 1.0 0.0 6.00 911 731 A 5 CYS H A 12 GLU HGy 1.0 0.0 6.00 912 732 A 24 THR HA A 13 PHE HB3 1.0 0.0 5.36 913 733 A 33 HIS H A 33 HIS HE1 1.0 0.0 4.90 914 734 A 23 GLN HA A 22 VAL HA 1.0 0.0 5.22 915 735 A 5 CYS HB3 A 11 LYS HDx 1.0 0.0 6.00 916 735 A 5 CYS HB3 A 11 LYS HDy 1.0 0.0 6.00 917 736 A 33 HIS HA A 34 LYS HA 1.0 0.0 4.87 918 737 A 5 CYS HB3 A 4 LEU HA 1.0 0.0 4.96 919 738 A 33 HIS H A 34 LYS HEx 1.0 0.0 5.23 920 738 A 33 HIS H A 34 LYS HEy 1.0 0.0 5.23 921 739 A 10 ILE HG2% A 9 GLY H 1.0 0.0 4.86 922 740 A 7 VAL HG2% A 32 LYS H 1.0 0.0 5.18 923 741 A 4 LEU HD1% A 5 CYS H 1.0 0.0 4.86 924 742 A 10 ILE H A 4 LEU HD2% 1.0 0.0 5.26 925 743 A 24 THR HB A 22 VAL HG1% 1.0 0.0 5.61 926 744 A 31 LYS HA A 34 LYS HBx 1.0 0.0 3.82 927 744 A 34 LYS HBy A 31 LYS HA 1.0 0.0 3.82 928 745 A 27 LEU HA A 27 LEU HG 1.0 0.0 3.88 929 746 A 19 ARG HB2 A 41 GLY HA2 1.0 0.0 4.41 930 747 A 22 VAL HG2% A 6 GLY HA3 1.0 0.0 4.61 931 748 A 36 ARG HBy A 36 ARG HD3 1.0 0.0 3.79 932 748 A 36 ARG HBx A 36 ARG HD3 1.0 0.0 3.79 933 749 A 8 CYS HB2 A 7 VAL HB 1.0 0.0 5.43 934 750 A 34 LYS HBy A 34 LYS HDx 1.0 0.0 3.16 935 750 A 34 LYS HBx A 34 LYS HDx 1.0 0.0 3.16 936 750 A 34 LYS HDy A 34 LYS HBx 1.0 0.0 3.16 937 750 A 34 LYS HBy A 34 LYS HDy 1.0 0.0 3.16 938 751 A 35 THR HA A 34 LYS HA 1.0 0.0 4.72 939 752 A 16 LYS HG3 A 21 LEU HD1% 1.0 0.0 5.33 940 753 A 26 SER HA A 29 CYS H 1.0 0.0 5.14 941 754 A 20 CYS HA A 22 VAL H 1.0 0.0 5.19 942 755 A 13 PHE HD% A 14 LYS HG2 1.0 0.0 5.99 943 756 A 26 SER HA A 25 CYS H 1.0 0.0 5.39 944 757 A 7 VAL H A 5 CYS HA 1.0 0.0 4.95 945 758 A 21 LEU HD2% A 22 VAL H 1.0 0.0 5.16 946 759 A 8 CYS HB2 A 9 GLY H 1.0 0.0 5.20 947 760 A 34 LYS H A 33 HIS HBy 1.0 0.0 5.94 948 761 A 10 ILE HA A 9 GLY HAx 1.0 0.0 5.10 949 761 A 9 GLY HAy A 10 ILE HA 1.0 0.0 5.10 950 762 A 41 GLY HA2 A 42 GLN HA 1.0 0.0 5.66 951 763 A 22 VAL HG1% A 6 GLY HA2 1.0 0.0 5.88 952 764 A 4 LEU HD2% A 3 VAL HA 1.0 0.0 5.32 953 765 A 18 PRO HG2 A 19 ARG HA 1.0 0.0 5.58 954 766 A 22 VAL HB A 17 CYS HBx 1.0 0.0 4.61 955 766 A 17 CYS HBy A 22 VAL HB 1.0 0.0 4.61 956 767 A 8 CYS HB2 A 10 ILE HG12 1.0 0.0 4.37 957 768 A 23 GLN HG2 A 16 LYS HEx 1.0 0.0 5.02 958 768 A 16 LYS HEy A 23 GLN HG2 1.0 0.0 5.02 959 769 A 8 CYS HB3 A 10 ILE HD1% 1.0 0.0 4.76 960 770 A 4 LEU HD2% A 11 LYS HBx 1.0 0.0 4.77 961 770 A 4 LEU HD2% A 11 LYS HBy 1.0 0.0 4.77 962 771 A 22 VAL HG1% A 23 GLN HB2 1.0 0.0 5.86 963 772 A 10 ILE HD1% A 11 LYS HDx 1.0 0.0 4.68 964 772 A 10 ILE HD1% A 11 LYS HDy 1.0 0.0 4.68 965 773 A 23 GLN HG3 A 16 LYS HA 1.0 0.0 5.01 966 774 A 26 SER HA A 29 CYS HB2 1.0 0.0 5.13 967 775 A 37 ASP H A 34 LYS H 1.0 0.0 5.26 968 776 A 32 LYS H A 34 LYS H 1.0 0.0 5.28 969 777 A 5 CYS H A 6 GLY H 1.0 0.0 5.16 970 778 A 30 SER H A 26 SER HA 1.0 0.0 5.53 971 779 A 13 PHE HD% A 4 LEU HA 1.0 0.0 4.92 972 780 A 6 GLY HA3 A 23 GLN H 1.0 0.0 5.24 973 781 A 22 VAL H A 20 CYS HB3 1.0 0.0 5.18 974 782 A 16 LYS HG3 A 17 CYS H 1.0 0.0 5.60 975 783 A 25 CYS HB3 A 5 CYS HA 1.0 0.0 5.05 976 784 A 41 GLY HA3 A 42 GLN HGx 1.0 0.0 6.00 977 784 A 41 GLY HA3 A 42 GLN HGy 1.0 0.0 6.00 978 785 A 31 LYS HBy A 31 LYS HEx 1.0 0.0 4.50 979 785 A 31 LYS HBx A 31 LYS HEx 1.0 0.0 4.50 980 785 A 31 LYS HEy A 31 LYS HBx 1.0 0.0 4.50 981 785 A 31 LYS HBy A 31 LYS HEy 1.0 0.0 4.50 982 786 A 8 CYS HB3 A 10 ILE HG12 1.0 0.0 4.83 983 787 A 10 ILE HD1% A 11 LYS HG2 1.0 0.0 3.77 984 788 A 16 LYS HG3 A 21 LEU HD2% 1.0 0.0 4.68 985 789 A 4 LEU HD1% A 4 LEU HB3 1.0 0.0 3.27 986 790 A 2 ALA HB% A 3 VAL HG2% 1.0 0.0 4.24 987 791 A 10 ILE HD1% A 4 LEU HD2% 1.0 0.0 4.25 988 792 A 10 ILE HG2% A 4 LEU HD2% 1.0 0.0 5.05 989 793 A 14 LYS HBx A 14 LYS HDx 1.0 0.0 3.78 990 793 A 14 LYS HDy A 14 LYS HBx 1.0 0.0 3.78 991 793 A 14 LYS HBy A 14 LYS HDy 1.0 0.0 3.78 992 793 A 14 LYS HBy A 14 LYS HDx 1.0 0.0 3.78 993 794 A 32 LYS HB3 A 35 THR HG2% 1.0 0.0 5.28 994 795 A 5 CYS HB3 A 25 CYS HB2 1.0 0.0 5.17 995 796 A 25 CYS HB2 A 5 CYS HB2 1.0 0.0 3.87 996 797 A 2 ALA H A 3 VAL HG2% 1.0 0.0 4.70 997 798 A 7 VAL HG2% A 6 GLY H 1.0 0.0 4.62 998 799 A 7 VAL HG2% A 25 CYS H 1.0 0.0 4.87 999 800 A 38 ASN H A 34 LYS HA 1.0 0.0 4.85 1000 801 A 38 ASN H A 35 THR HA 1.0 0.0 4.23 1001 802 A -1 PRO HB2 A 1 MET HG3 1.0 0.0 2.86 1002 802 A -1 PRO HB2 A 1 MET HG2 1.0 0.0 2.86 1003 803 A 1 MET HA A 1 MET HG3 1.0 0.0 3.36 1004 803 A 1 MET HA A 1 MET HG2 1.0 0.0 3.36 1005 804 A 2 ALA HB% A 23 GLN HE2x 1.0 0.0 5.81 1006 804 A 2 ALA HB% A 23 GLN HE2y 1.0 0.0 5.81 1007 805 A 3 VAL HA A 23 GLN HE2x 1.0 0.0 4.91 1008 805 A 3 VAL HA A 23 GLN HE2y 1.0 0.0 4.91 1009 806 A 3 VAL HB A 23 GLN HE2x 1.0 0.0 4.64 1010 806 A 3 VAL HB A 23 GLN HE2y 1.0 0.0 4.64 1011 807 A 3 VAL HGx% A 23 GLN HE2x 1.0 0.0 4.07 1012 807 A 3 VAL HGx% A 23 GLN HE2y 1.0 0.0 4.07 1013 808 A 3 VAL HG2% A 23 GLN HE2x 1.0 0.0 5.01 1014 808 A 3 VAL HG2% A 23 GLN HE2y 1.0 0.0 5.01 1015 809 A 4 LEU HD2% A 11 LYS HG2 1.0 0.0 4.63 1016 809 A 4 LEU HD2% A 11 LYS HG3 1.0 0.0 4.63 1017 810 A 7 VAL HG1% A 32 LYS HG2 1.0 0.0 4.05 1018 810 A 7 VAL HG1% A 32 LYS HG3 1.0 0.0 4.05 1019 811 A 10 ILE H A 11 LYS HG2 1.0 0.0 4.38 1020 811 A 10 ILE H A 11 LYS HG3 1.0 0.0 4.38 1021 812 A 10 ILE HB A 11 LYS HG2 1.0 0.0 4.99 1022 812 A 10 ILE HB A 11 LYS HG3 1.0 0.0 4.99 1023 813 A 11 LYS HA A 11 LYS HG2 1.0 0.0 3.53 1024 813 A 11 LYS HA A 11 LYS HG3 1.0 0.0 3.53 1025 814 A 12 GLU H A 11 LYS HG2 1.0 0.0 4.20 1026 814 A 12 GLU H A 11 LYS HG3 1.0 0.0 4.20 1027 815 A 11 LYS HG3 A 12 GLU HBx 1.0 0.0 5.34 1028 815 A 11 LYS HG2 A 12 GLU HBx 1.0 0.0 5.34 1029 815 A 12 GLU HBy A 11 LYS HG2 1.0 0.0 5.34 1030 815 A 12 GLU HBy A 11 LYS HG3 1.0 0.0 5.34 1031 816 A 25 CYS HB2 A 11 LYS HG2 1.0 0.0 4.74 1032 816 A 25 CYS HB2 A 11 LYS HG3 1.0 0.0 4.74 1033 817 A 13 PHE HD% A 23 GLN HE2x 1.0 0.0 4.32 1034 817 A 13 PHE HD% A 23 GLN HE2y 1.0 0.0 4.32 1035 818 A 13 PHE HE% A 23 GLN HE2x 1.0 0.0 4.54 1036 818 A 13 PHE HE% A 23 GLN HE2y 1.0 0.0 4.54 1037 819 A 14 LYS HDx A 27 LEU HD1% 1.0 0.0 5.92 1038 819 A 14 LYS HDy A 27 LEU HD1% 1.0 0.0 5.92 1039 819 A 27 LEU HD2% A 14 LYS HDx 1.0 0.0 5.92 1040 819 A 14 LYS HDy A 27 LEU HD2% 1.0 0.0 5.92 1041 820 A 15 TYR HD% A 27 LEU HB2 1.0 0.0 5.81 1042 820 A 15 TYR HD% A 27 LEU HB3 1.0 0.0 5.81 1043 821 A 15 TYR HD% A 27 LEU HD1% 1.0 0.0 4.20 1044 821 A 15 TYR HD% A 27 LEU HD2% 1.0 0.0 4.20 1045 822 A 15 TYR HD% A 30 SER HB2 1.0 0.0 4.63 1046 822 A 15 TYR HD% A 30 SER HB3 1.0 0.0 4.63 1047 823 A 15 TYR HE% A 26 SER HB2 1.0 0.0 4.82 1048 823 A 15 TYR HE% A 26 SER HB3 1.0 0.0 4.82 1049 824 A 15 TYR HE% A 27 LEU HD1% 1.0 0.0 3.56 1050 824 A 15 TYR HE% A 27 LEU HD2% 1.0 0.0 3.56 1051 825 A 16 LYS H A 27 LEU HD1% 1.0 0.0 5.80 1052 825 A 16 LYS H A 27 LEU HD2% 1.0 0.0 5.80 1053 826 A 17 CYS HBx A 20 CYS HB3 1.0 0.0 4.38 1054 826 A 20 CYS HB2 A 17 CYS HBx 1.0 0.0 4.38 1055 826 A 17 CYS HBy A 20 CYS HB2 1.0 0.0 4.38 1056 826 A 17 CYS HBy A 20 CYS HB3 1.0 0.0 4.38 1057 827 A 18 PRO HDx A 27 LEU HD1% 1.0 0.0 5.92 1058 827 A 18 PRO HDy A 27 LEU HD1% 1.0 0.0 5.92 1059 827 A 27 LEU HD2% A 18 PRO HDx 1.0 0.0 5.92 1060 827 A 18 PRO HDy A 27 LEU HD2% 1.0 0.0 5.92 1061 828 A 19 ARG HA A 19 ARG HD3 1.0 0.0 4.16 1062 828 A 19 ARG HA A 19 ARG HD2 1.0 0.0 4.16 1063 829 A 19 ARG HB2 A 19 ARG HD3 1.0 0.0 3.38 1064 829 A 19 ARG HB2 A 19 ARG HD2 1.0 0.0 3.38 1065 830 A 19 ARG HB2 A 20 CYS HB3 1.0 0.0 5.69 1066 830 A 19 ARG HB2 A 20 CYS HB2 1.0 0.0 5.69 1067 831 A 19 ARG HB3 A 19 ARG HD3 1.0 0.0 3.39 1068 831 A 19 ARG HB3 A 19 ARG HD2 1.0 0.0 3.39 1069 832 A 19 ARG HB3 A 20 CYS HB3 1.0 0.0 5.06 1070 832 A 19 ARG HB3 A 20 CYS HB2 1.0 0.0 5.06 1071 833 A 40 SER H A 19 ARG HD3 1.0 0.0 3.94 1072 833 A 40 SER H A 19 ARG HD2 1.0 0.0 3.94 1073 834 A 42 GLN H A 19 ARG HD3 1.0 0.0 4.40 1074 834 A 42 GLN H A 19 ARG HD2 1.0 0.0 4.40 1075 835 A 19 ARG HD3 A 42 GLN HBx 1.0 0.0 5.61 1076 835 A 19 ARG HD2 A 42 GLN HBx 1.0 0.0 5.61 1077 835 A 42 GLN HBy A 19 ARG HD3 1.0 0.0 5.61 1078 835 A 42 GLN HBy A 19 ARG HD2 1.0 0.0 5.61 1079 836 A 20 CYS H A 20 CYS HB3 1.0 0.0 3.64 1080 836 A 20 CYS H A 20 CYS HB2 1.0 0.0 3.64 1081 837 A 20 CYS HA A 20 CYS HB3 1.0 0.0 2.55 1082 837 A 20 CYS HA A 20 CYS HB2 1.0 0.0 2.55 1083 838 A 21 LEU HA A 20 CYS HB3 1.0 0.0 5.16 1084 838 A 21 LEU HA A 20 CYS HB2 1.0 0.0 5.16 1085 839 A 22 VAL H A 20 CYS HB3 1.0 0.0 4.54 1086 839 A 22 VAL H A 20 CYS HB2 1.0 0.0 4.54 1087 840 A 22 VAL HA A 20 CYS HB3 1.0 0.0 5.01 1088 840 A 22 VAL HA A 20 CYS HB2 1.0 0.0 5.01 1089 841 A 22 VAL HG1% A 20 CYS HB3 1.0 0.0 4.55 1090 841 A 22 VAL HG1% A 20 CYS HB2 1.0 0.0 4.55 1091 842 A 22 VAL HG2% A 20 CYS HB3 1.0 0.0 5.02 1092 842 A 22 VAL HG2% A 20 CYS HB2 1.0 0.0 5.02 1093 843 A 23 GLN HB2 A 23 GLN HE2x 1.0 0.0 4.05 1094 843 A 23 GLN HB2 A 23 GLN HE2y 1.0 0.0 4.05 1095 844 A 23 GLN HB3 A 23 GLN HE2x 1.0 0.0 4.19 1096 844 A 23 GLN HB3 A 23 GLN HE2y 1.0 0.0 4.19 1097 845 A 24 THR HG2% A 30 SER HB2 1.0 0.0 4.22 1098 845 A 24 THR HG2% A 30 SER HB3 1.0 0.0 4.22 1099 846 A 26 SER H A 26 SER HB2 1.0 0.0 3.63 1100 846 A 26 SER H A 26 SER HB3 1.0 0.0 3.63 1101 847 A 26 SER HA A 27 LEU HD1% 1.0 0.0 5.27 1102 847 A 26 SER HA A 27 LEU HD2% 1.0 0.0 5.27 1103 848 A 28 GLU H A 26 SER HB2 1.0 0.0 3.29 1104 848 A 28 GLU H A 26 SER HB3 1.0 0.0 3.29 1105 849 A 28 GLU HB2 A 26 SER HB2 1.0 0.0 5.58 1106 849 A 28 GLU HB2 A 26 SER HB3 1.0 0.0 5.58 1107 850 A 26 SER HB3 A 28 GLU HG2 1.0 0.0 5.62 1108 850 A 26 SER HB2 A 28 GLU HG2 1.0 0.0 5.62 1109 850 A 28 GLU HG3 A 26 SER HB2 1.0 0.0 5.62 1110 850 A 26 SER HB3 A 28 GLU HG3 1.0 0.0 5.62 1111 851 A 27 LEU HA A 27 LEU HD1% 1.0 0.0 3.14 1112 851 A 27 LEU HA A 27 LEU HD2% 1.0 0.0 3.14 1113 852 A 27 LEU HB2 A 27 LEU HD1% 1.0 0.0 2.73 1114 852 A 27 LEU HB3 A 27 LEU HD1% 1.0 0.0 2.73 1115 852 A 27 LEU HD2% A 27 LEU HB2 1.0 0.0 2.73 1116 852 A 27 LEU HD2% A 27 LEU HB3 1.0 0.0 2.73 1117 853 A 28 GLU HB2 A 27 LEU HB2 1.0 0.0 4.53 1118 853 A 28 GLU HB2 A 27 LEU HB3 1.0 0.0 4.53 1119 854 A 28 GLU HB3 A 27 LEU HB2 1.0 0.0 5.60 1120 854 A 28 GLU HB3 A 27 LEU HB3 1.0 0.0 5.60 1121 855 A 28 GLU H A 27 LEU HD1% 1.0 0.0 4.53 1122 855 A 28 GLU H A 27 LEU HD2% 1.0 0.0 4.53 1123 856 A 27 LEU HD2% A 30 SER HB2 1.0 0.0 4.77 1124 856 A 30 SER HB3 A 27 LEU HD1% 1.0 0.0 4.77 1125 856 A 27 LEU HD2% A 30 SER HB3 1.0 0.0 4.77 1126 856 A 27 LEU HD1% A 30 SER HB2 1.0 0.0 4.77 1127 857 A 31 LYS H A 27 LEU HD1% 1.0 0.0 5.92 1128 857 A 31 LYS H A 27 LEU HD2% 1.0 0.0 5.92 1129 858 A 27 LEU HD2% A 31 LYS HBx 1.0 0.0 5.03 1130 858 A 27 LEU HD1% A 31 LYS HBx 1.0 0.0 5.03 1131 858 A 31 LYS HBy A 27 LEU HD1% 1.0 0.0 5.03 1132 858 A 31 LYS HBy A 27 LEU HD2% 1.0 0.0 5.03 1133 859 A 27 LEU HD1% A 34 LYS HEx 1.0 0.0 5.17 1134 859 A 34 LYS HEy A 27 LEU HD1% 1.0 0.0 5.17 1135 859 A 34 LYS HEy A 27 LEU HD2% 1.0 0.0 5.17 1136 859 A 27 LEU HD2% A 34 LYS HEx 1.0 0.0 5.17 1137 860 A 28 GLU H A 28 GLU HG2 1.0 0.0 4.65 1138 860 A 28 GLU H A 28 GLU HG3 1.0 0.0 4.65 1139 861 A 28 GLU HA A 28 GLU HG2 1.0 0.0 3.12 1140 861 A 28 GLU HA A 28 GLU HG3 1.0 0.0 3.12 1141 862 A 28 GLU HA A 31 LYS HG2 1.0 0.0 3.77 1142 862 A 28 GLU HA A 31 LYS HG3 1.0 0.0 3.77 1143 863 A 29 CYS H A 28 GLU HG2 1.0 0.0 4.49 1144 863 A 29 CYS H A 28 GLU HG3 1.0 0.0 4.49 1145 864 A 28 GLU HG3 A 31 LYS HEx 1.0 0.0 4.67 1146 864 A 28 GLU HG2 A 31 LYS HEx 1.0 0.0 4.67 1147 864 A 31 LYS HEy A 28 GLU HG2 1.0 0.0 4.67 1148 864 A 31 LYS HEy A 28 GLU HG3 1.0 0.0 4.67 1149 865 A 30 SER H A 30 SER HB2 1.0 0.0 3.01 1150 865 A 30 SER H A 30 SER HB3 1.0 0.0 3.01 1151 866 A 30 SER H A 31 LYS HG2 1.0 0.0 5.33 1152 866 A 30 SER H A 31 LYS HG3 1.0 0.0 5.33 1153 867 A 31 LYS H A 30 SER HB2 1.0 0.0 3.83 1154 867 A 31 LYS H A 30 SER HB3 1.0 0.0 3.83 1155 868 A 31 LYS H A 31 LYS HG2 1.0 0.0 3.77 1156 868 A 31 LYS H A 31 LYS HG3 1.0 0.0 3.77 1157 869 A 31 LYS HA A 31 LYS HG2 1.0 0.0 3.48 1158 869 A 31 LYS HA A 31 LYS HG3 1.0 0.0 3.48 1159 870 A 31 LYS HA A 34 LYS HGx 1.0 0.0 3.57 1160 870 A 34 LYS HGy A 31 LYS HA 1.0 0.0 3.57 1161 871 A 32 LYS H A 31 LYS HG2 1.0 0.0 3.58 1162 871 A 32 LYS H A 31 LYS HG3 1.0 0.0 3.58 1163 872 A 32 LYS HA A 32 LYS HG2 1.0 0.0 3.26 1164 872 A 32 LYS HA A 32 LYS HG3 1.0 0.0 3.26 1165 873 A 32 LYS HEy A 32 LYS HG2 1.0 0.0 3.34 1166 873 A 32 LYS HEx A 32 LYS HG2 1.0 0.0 3.34 1167 873 A 32 LYS HG3 A 32 LYS HEx 1.0 0.0 3.34 1168 873 A 32 LYS HEy A 32 LYS HG3 1.0 0.0 3.34 1169 874 A 35 THR HG2% A 32 LYS HG2 1.0 0.0 3.87 1170 874 A 35 THR HG2% A 32 LYS HG3 1.0 0.0 3.87 1171 875 A 33 HIS H A 34 LYS HGx 1.0 0.0 5.81 1172 875 A 33 HIS H A 34 LYS HGy 1.0 0.0 5.81 1173 876 A 33 HIS HA A 36 ARG HG3 1.0 0.0 3.44 1174 876 A 33 HIS HA A 36 ARG HG2 1.0 0.0 3.44 1175 877 A 33 HIS HA A 36 ARG HD3 1.0 0.0 5.04 1176 877 A 33 HIS HA A 36 ARG HD2 1.0 0.0 5.04 1177 878 A 33 HIS HE1 A 34 LYS HGx 1.0 0.0 4.40 1178 878 A 34 LYS HGy A 33 HIS HE1 1.0 0.0 4.40 1179 879 A 33 HIS HE1 A 39 CYS HB3 1.0 0.0 5.81 1180 879 A 33 HIS HE1 A 39 CYS HB2 1.0 0.0 5.81 1181 880 A 34 LYS H A 34 LYS HGx 1.0 0.0 4.13 1182 880 A 34 LYS HGy A 34 LYS H 1.0 0.0 4.13 1183 881 A 34 LYS HA A 39 CYS HB3 1.0 0.0 3.62 1184 881 A 34 LYS HA A 39 CYS HB2 1.0 0.0 3.62 1185 882 A 34 LYS HDy A 39 CYS HB3 1.0 0.0 5.09 1186 882 A 34 LYS HDx A 39 CYS HB3 1.0 0.0 5.09 1187 882 A 39 CYS HB2 A 34 LYS HDx 1.0 0.0 5.09 1188 882 A 34 LYS HDy A 39 CYS HB2 1.0 0.0 5.09 1189 883 A 34 LYS HEy A 39 CYS HB3 1.0 0.0 4.84 1190 883 A 34 LYS HEx A 39 CYS HB3 1.0 0.0 4.84 1191 883 A 39 CYS HB2 A 34 LYS HEx 1.0 0.0 4.84 1192 883 A 34 LYS HEy A 39 CYS HB2 1.0 0.0 4.84 1193 884 A 35 THR HB A 36 ARG HG3 1.0 0.0 5.05 1194 884 A 35 THR HB A 36 ARG HG2 1.0 0.0 5.05 1195 885 A 35 THR HG2% A 36 ARG HG3 1.0 0.0 5.04 1196 885 A 35 THR HG2% A 36 ARG HG2 1.0 0.0 5.04 1197 886 A 36 ARG HA A 36 ARG HG3 1.0 0.0 3.37 1198 886 A 36 ARG HA A 36 ARG HG2 1.0 0.0 3.37 1199 887 A 36 ARG HA A 36 ARG HD3 1.0 0.0 4.77 1200 887 A 36 ARG HA A 36 ARG HD2 1.0 0.0 4.77 1201 888 A 36 ARG HBy A 36 ARG HD3 1.0 0.0 3.09 1202 888 A 36 ARG HD2 A 36 ARG HBx 1.0 0.0 3.09 1203 888 A 36 ARG HBy A 36 ARG HD2 1.0 0.0 3.09 1204 888 A 36 ARG HBx A 36 ARG HD3 1.0 0.0 3.09 1205 889 A 37 ASP H A 36 ARG HG3 1.0 0.0 3.07 1206 889 A 37 ASP H A 36 ARG HG2 1.0 0.0 3.07 1207 890 A 37 ASP H A 37 ASP HB3 1.0 0.0 3.11 1208 890 A 37 ASP H A 37 ASP HB2 1.0 0.0 3.11 1209 891 A 37 ASP H A 39 CYS HB3 1.0 0.0 4.99 1210 891 A 37 ASP H A 39 CYS HB2 1.0 0.0 4.99 1211 892 A 37 ASP HB2 A 39 CYS HB3 1.0 0.0 4.09 1212 892 A 37 ASP HB3 A 39 CYS HB3 1.0 0.0 4.09 1213 892 A 39 CYS HB2 A 37 ASP HB3 1.0 0.0 4.09 1214 892 A 39 CYS HB2 A 37 ASP HB2 1.0 0.0 4.09 1215 893 A 38 ASN HB2 A 38 ASN HD21 1.0 0.0 3.26 1216 893 A 38 ASN HB2 A 38 ASN HD22 1.0 0.0 3.26 1217 894 A 38 ASN HD21 A 38 ASN HB3 1.0 0.0 3.48 1218 894 A 38 ASN HD22 A 38 ASN HB3 1.0 0.0 3.48 1219 895 A 38 ASN HB3 A 39 CYS HB3 1.0 0.0 5.81 1220 895 A 38 ASN HB3 A 39 CYS HB2 1.0 0.0 5.81 1221 896 A 39 CYS H A 39 CYS HB3 1.0 0.0 3.66 1222 896 A 39 CYS H A 39 CYS HB2 1.0 0.0 3.66 1223 897 A 40 SER H A 40 SER HB2 1.0 0.0 3.11 1224 897 A 40 SER H A 40 SER HB3 1.0 0.0 3.11 1225 898 A 40 SER HA A 40 SER HB2 1.0 0.0 2.50 1226 898 A 40 SER HA A 40 SER HB3 1.0 0.0 2.50 1227 899 A 42 GLN H A 40 SER HB2 1.0 0.0 5.34 1228 899 A 42 GLN H A 40 SER HB3 1.0 0.0 5.34 1229 900 A 40 SER HB2 A 42 GLN HBx 1.0 0.0 4.39 1230 900 A 40 SER HB3 A 42 GLN HBx 1.0 0.0 4.39 1231 900 A 42 GLN HBy A 40 SER HB2 1.0 0.0 4.39 1232 900 A 42 GLN HBy A 40 SER HB3 1.0 0.0 4.39 1233 901 A 40 SER HB2 A 42 GLN HGx 1.0 0.0 5.72 1234 901 A 40 SER HB3 A 42 GLN HGx 1.0 0.0 5.72 1235 901 A 42 GLN HGy A 40 SER HB2 1.0 0.0 5.72 1236 901 A 42 GLN HGy A 40 SER HB3 1.0 0.0 5.72 1237 902 A 42 GLN HE21 A 42 GLN HBx 1.0 0.0 3.64 1238 902 A 42 GLN HE22 A 42 GLN HBx 1.0 0.0 3.64 1239 902 A 42 GLN HBy A 42 GLN HE21 1.0 0.0 3.64 1240 902 A 42 GLN HBy A 42 GLN HE22 1.0 0.0 3.64 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 5 CYS CB B 1 ZN ZN 1.0 0.0 3.60 2 2 B 1 ZN ZN A 8 CYS CB 1.0 0.0 3.60 3 3 B 1 ZN ZN A 25 CYS CB 1.0 0.0 3.60 4 4 B 1 ZN ZN A 29 CYS CB 1.0 0.0 3.60 5 5 B 1 ZN ZN A 5 CYS SG 1.0 0.0 2.40 6 6 B 1 ZN ZN A 8 CYS SG 1.0 0.0 2.40 7 7 B 1 ZN ZN A 25 CYS SG 1.0 0.0 2.40 8 8 B 1 ZN ZN A 29 CYS SG 1.0 0.0 2.40 9 9 A 17 CYS CB 3 1 ZN ZN 1.0 0.0 3.60 10 10 3 1 ZN ZN A 20 CYS CB 1.0 0.0 3.60 11 11 3 1 ZN ZN A 39 CYS CB 1.0 0.0 3.60 12 12 3 1 ZN ZN A 17 CYS SG 1.0 0.0 2.40 13 13 3 1 ZN ZN A 20 CYS SG 1.0 0.0 2.40 14 14 3 1 ZN ZN A 39 CYS SG 1.0 0.0 2.40 15 15 3 1 ZN ZN A 33 HIS NE2 1.0 0.0 2.10 16 16 A 5 CYS SG A 8 CYS SG 1.0 0.0 3.95 17 17 A 5 CYS SG A 25 CYS SG 1.0 0.0 3.95 18 18 A 5 CYS SG A 29 CYS SG 1.0 0.0 3.95 19 19 A 8 CYS SG A 25 CYS SG 1.0 0.0 3.95 20 20 A 8 CYS SG A 29 CYS SG 1.0 0.0 3.95 21 21 A 25 CYS SG A 29 CYS SG 1.0 0.0 3.95 22 22 A 17 CYS SG A 20 CYS SG 1.0 0.0 3.95 23 23 A 17 CYS SG A 39 CYS SG 1.0 0.0 3.95 24 24 A 20 CYS SG A 39 CYS SG 1.0 0.0 3.95 25 25 A 17 CYS SG A 33 HIS NE2 1.0 0.0 3.95 26 26 A 20 CYS SG A 33 HIS NE2 1.0 0.0 3.95 27 27 A 39 CYS SG A 33 HIS NE2 1.0 0.0 3.95 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 5 CYS N A 5 CYS CA A 5 CYS CB A 5 CYS SG 1.0 -198.7 -157.5 CHI1 2 2 A 8 CYS N A 8 CYS CA A 8 CYS CB A 8 CYS SG 1.0 36.3 76.9 CHI1 3 3 A 17 CYS N A 17 CYS CA A 17 CYS CB A 17 CYS SG 1.0 -180.7 -121.1 CHI1 4 4 A 20 CYS N A 20 CYS CA A 20 CYS CB A 20 CYS SG 1.0 -68.9 -27.3 CHI1 5 5 A 25 CYS N A 25 CYS CA A 25 CYS CB A 25 CYS SG 1.0 40.0 81.6 CHI1 6 6 A 29 CYS N A 29 CYS CA A 29 CYS CB A 29 CYS SG 1.0 -113.3 -70.7 CHI1 7 7 A 39 CYS N A 39 CYS CA A 39 CYS CB A 39 CYS SG 1.0 151.2 193.0 CHI1 8 8 A 33 HIS N A 33 HIS CA A 33 HIS CB A 33 HIS CG 1.0 49.2 94.4 CHI1 9 9 A 33 HIS CA A 33 HIS CB A 33 HIS CG A 33 HIS ND1 1.0 -129.5 -84.1 CHI2 stop_ save_