data_nef_c18959_2m3f 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_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 THR start . . 2 A 2 ASP middle . . 3 A 3 GLU middle . . 4 A 4 ASP middle . . 5 A 5 VAL middle . . 6 A 6 LYS middle . . 7 A 7 LYS middle . . 8 A 8 TRP middle . . 9 A 9 ARG middle . . 10 A 10 GLU middle . . 11 A 11 GLU middle . . 12 A 12 ARG middle . . 13 A 13 LYS middle . . 14 A 14 LYS middle . . 15 A 15 MET middle . . 16 A 16 TRP middle . . 17 A 17 LEU middle . . 18 A 18 LEU middle . . 19 A 19 LYS middle . . 20 A 20 ILE middle . . 21 A 21 SER middle . . 22 A 22 ASN end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 THR HA H 1 3.813 0.020 A 1 THR HB H 1 4.106 0.020 A 1 THR HG2% H 1 1.175 0.020 A 1 THR CA C 13 58.460 0.300 A 1 THR CB C 13 66.426 0.300 A 1 THR CG2 C 13 18.620 0.300 A 2 ASP H H 1 8.880 0.020 A 2 ASP HA H 1 4.534 0.020 A 2 ASP HBy H 1 2.691 0.020 A 2 ASP HBx H 1 2.617 0.020 A 2 ASP CA C 13 51.548 0.300 A 2 ASP CB C 13 36.798 0.300 A 2 ASP N N 15 123.509 0.300 A 3 GLU H H 1 8.445 0.020 A 3 GLU HA H 1 4.102 0.020 A 3 GLU HBy H 1 1.912 0.020 A 3 GLU HBx H 1 1.836 0.020 A 3 GLU HGx H 1 2.270 0.020 A 3 GLU HGy H 1 2.270 0.020 A 3 GLU CA C 13 54.167 0.300 A 3 GLU CB C 13 26.028 0.300 A 3 GLU CG C 13 30.833 0.300 A 3 GLU N N 15 121.439 0.300 A 4 ASP H H 1 8.187 0.020 A 4 ASP HA H 1 4.413 0.020 A 4 ASP HBx H 1 2.605 0.020 A 4 ASP HBy H 1 2.605 0.020 A 4 ASP CA C 13 51.773 0.300 A 4 ASP CB C 13 36.728 0.300 A 4 ASP N N 15 120.428 0.300 A 5 VAL H H 1 7.801 0.020 A 5 VAL HA H 1 3.769 0.020 A 5 VAL HB H 1 1.972 0.020 A 5 VAL HGx% H 1 0.799 0.020 A 5 VAL HGy% H 1 0.840 0.020 A 5 VAL CA C 13 61.399 0.300 A 5 VAL CB C 13 29.347 0.300 A 5 VAL CGx C 13 18.229 0.300 A 5 VAL CGy C 13 18.344 0.300 A 5 VAL N N 15 121.028 0.300 A 6 LYS H H 1 8.029 0.020 A 6 LYS HA H 1 3.962 0.020 A 6 LYS HBx H 1 1.651 0.020 A 6 LYS HBy H 1 1.651 0.020 A 6 LYS HDx H 1 1.517 0.020 A 6 LYS HDy H 1 1.517 0.020 A 6 LYS HEx H 1 2.598 0.020 A 6 LYS HEy H 1 2.598 0.020 A 6 LYS HGy H 1 1.333 0.020 A 6 LYS HGx H 1 1.222 0.020 A 6 LYS CA C 13 55.492 0.300 A 6 LYS CB C 13 29.679 0.300 A 6 LYS CD C 13 26.405 0.300 A 6 LYS CE C 13 37.144 0.300 A 6 LYS CG C 13 22.308 0.300 A 6 LYS N N 15 122.306 0.300 A 7 LYS H H 1 7.885 0.020 A 7 LYS HA H 1 4.010 0.020 A 7 LYS HBx H 1 1.648 0.020 A 7 LYS HBy H 1 1.648 0.020 A 7 LYS HDx H 1 1.498 0.020 A 7 LYS HDy H 1 1.498 0.020 A 7 LYS HEx H 1 2.799 0.020 A 7 LYS HEy H 1 2.799 0.020 A 7 LYS HGy H 1 1.271 0.020 A 7 LYS HGx H 1 1.166 0.020 A 7 LYS CA C 13 55.117 0.300 A 7 LYS CB C 13 29.650 0.300 A 7 LYS CD C 13 26.359 0.300 A 7 LYS CE C 13 39.301 0.300 A 7 LYS CG C 13 22.108 0.300 A 7 LYS N N 15 120.339 0.300 A 8 TRP H H 1 7.928 0.020 A 8 TRP HA H 1 4.388 0.020 A 8 TRP HBy H 1 3.226 0.020 A 8 TRP HBx H 1 3.179 0.020 A 8 TRP HD1 H 1 7.122 0.020 A 8 TRP HE1 H 1 10.018 0.020 A 8 TRP HE3 H 1 7.420 0.020 A 8 TRP HH2 H 1 7.057 0.020 A 8 TRP HZ2 H 1 7.328 0.020 A 8 TRP HZ3 H 1 6.964 0.020 A 8 TRP CA C 13 56.174 0.300 A 8 TRP CB C 13 26.354 0.300 A 8 TRP CD1 C 13 124.394 0.300 A 8 TRP CE3 C 13 117.996 0.300 A 8 TRP CH2 C 13 121.783 0.300 A 8 TRP CZ2 C 13 111.761 0.300 A 8 TRP CZ3 C 13 119.100 0.300 A 8 TRP N N 15 120.854 0.300 A 8 TRP NE1 N 15 129.296 0.300 A 9 ARG H H 1 8.088 0.020 A 9 ARG HA H 1 3.807 0.020 A 9 ARG HBx H 1 1.667 0.020 A 9 ARG HBy H 1 1.667 0.020 A 9 ARG HDx H 1 3.004 0.020 A 9 ARG HDy H 1 3.004 0.020 A 9 ARG HE H 1 7.093 0.020 A 9 ARG HGy H 1 1.519 0.020 A 9 ARG HGx H 1 1.379 0.020 A 9 ARG CA C 13 55.395 0.300 A 9 ARG CB C 13 27.633 0.300 A 9 ARG CD C 13 40.765 0.300 A 9 ARG CG C 13 24.726 0.300 A 9 ARG N N 15 120.280 0.300 A 9 ARG NE N 15 120.778 0.300 A 10 GLU H H 1 7.958 0.020 A 10 GLU HA H 1 4.000 0.020 A 10 GLU HBx H 1 1.958 0.020 A 10 GLU HBy H 1 1.958 0.020 A 10 GLU HGy H 1 2.334 0.020 A 10 GLU HGx H 1 2.306 0.020 A 10 GLU CA C 13 54.782 0.300 A 10 GLU CB C 13 25.907 0.300 A 10 GLU CG C 13 31.222 0.300 A 10 GLU N N 15 119.696 0.300 A 11 GLU H H 1 8.094 0.020 A 11 GLU HA H 1 4.038 0.020 A 11 GLU HBx H 1 1.943 0.020 A 11 GLU HBy H 1 1.943 0.020 A 11 GLU HGy H 1 2.342 0.020 A 11 GLU HGx H 1 2.305 0.020 A 11 GLU CA C 13 54.432 0.300 A 11 GLU CB C 13 25.862 0.300 A 11 GLU CG C 13 30.960 0.300 A 11 GLU N N 15 120.334 0.300 A 12 ARG H H 1 7.955 0.020 A 12 ARG HA H 1 3.948 0.020 A 12 ARG HBy H 1 1.590 0.020 A 12 ARG HBx H 1 1.507 0.020 A 12 ARG HDx H 1 2.803 0.020 A 12 ARG HDy H 1 2.803 0.020 A 12 ARG HE H 1 6.940 0.020 A 12 ARG HGx H 1 1.315 0.020 A 12 ARG HGy H 1 1.315 0.020 A 12 ARG CA C 13 54.512 0.300 A 12 ARG CB C 13 27.227 0.300 A 12 ARG CD C 13 40.369 0.300 A 12 ARG CG C 13 24.082 0.300 A 12 ARG N N 15 120.480 0.300 A 12 ARG NE N 15 120.592 0.300 A 13 LYS H H 1 7.818 0.020 A 13 LYS HA H 1 3.989 0.020 A 13 LYS HBy H 1 1.699 0.020 A 13 LYS HBx H 1 1.635 0.020 A 13 LYS HDx H 1 1.507 0.020 A 13 LYS HDy H 1 1.507 0.020 A 13 LYS HEx H 1 2.796 0.020 A 13 LYS HEy H 1 2.796 0.020 A 13 LYS HGy H 1 1.315 0.020 A 13 LYS HGx H 1 1.244 0.020 A 13 LYS CA C 13 54.843 0.300 A 13 LYS CB C 13 29.866 0.300 A 13 LYS CD C 13 26.373 0.300 A 13 LYS CE C 13 39.301 0.300 A 13 LYS CG C 13 22.150 0.300 A 13 LYS N N 15 120.644 0.300 A 14 LYS H H 1 7.901 0.020 A 14 LYS HA H 1 3.945 0.020 A 14 LYS HBy H 1 1.612 0.020 A 14 LYS HBx H 1 1.539 0.020 A 14 LYS HDx H 1 1.492 0.020 A 14 LYS HDy H 1 1.492 0.020 A 14 LYS HEx H 1 2.798 0.020 A 14 LYS HEy H 1 2.798 0.020 A 14 LYS HGy H 1 1.283 0.020 A 14 LYS HGx H 1 1.196 0.020 A 14 LYS CA C 13 54.679 0.300 A 14 LYS CB C 13 29.688 0.300 A 14 LYS CD C 13 26.339 0.300 A 14 LYS CE C 13 39.305 0.300 A 14 LYS CG C 13 21.921 0.300 A 14 LYS N N 15 120.297 0.300 A 15 MET H H 1 7.954 0.020 A 15 MET HA H 1 4.165 0.020 A 15 MET HBx H 1 1.871 0.020 A 15 MET HBy H 1 1.871 0.020 A 15 MET HE% H 1 1.894 0.020 A 15 MET HGy H 1 2.414 0.020 A 15 MET HGx H 1 2.330 0.020 A 15 MET CA C 13 53.765 0.300 A 15 MET CB C 13 29.593 0.300 A 15 MET CE C 13 14.085 0.300 A 15 MET CG C 13 29.162 0.300 A 15 MET N N 15 119.294 0.300 A 16 TRP H H 1 7.876 0.020 A 16 TRP HA H 1 4.455 0.020 A 16 TRP HBy H 1 3.206 0.020 A 16 TRP HBx H 1 3.150 0.020 A 16 TRP HD1 H 1 7.088 0.020 A 16 TRP HE1 H 1 10.047 0.020 A 16 TRP HE3 H 1 7.476 0.020 A 16 TRP HH2 H 1 7.090 0.020 A 16 TRP HZ2 H 1 7.346 0.020 A 16 TRP HZ3 H 1 7.002 0.020 A 16 TRP CA C 13 55.259 0.300 A 16 TRP CB C 13 26.358 0.300 A 16 TRP CD1 C 13 124.256 0.300 A 16 TRP CE3 C 13 117.996 0.300 A 16 TRP CH2 C 13 121.864 0.300 A 16 TRP CZ2 C 13 111.874 0.300 A 16 TRP CZ3 C 13 119.277 0.300 A 16 TRP N N 15 121.134 0.300 A 16 TRP NE1 N 15 129.352 0.300 A 17 LEU H H 1 7.771 0.020 A 17 LEU HA H 1 4.027 0.020 A 17 LEU HBy H 1 1.464 0.020 A 17 LEU HBx H 1 1.368 0.020 A 17 LEU HDx% H 1 0.695 0.020 A 17 LEU HDy% H 1 0.737 0.020 A 17 LEU HG H 1 1.364 0.020 A 17 LEU CA C 13 52.928 0.300 A 17 LEU CB C 13 39.534 0.300 A 17 LEU CDx C 13 20.671 0.300 A 17 LEU CDy C 13 22.251 0.300 A 17 LEU CG C 13 24.026 0.300 A 17 LEU N N 15 121.626 0.300 A 18 LEU H H 1 7.707 0.020 A 18 LEU HA H 1 4.103 0.020 A 18 LEU HBy H 1 1.506 0.020 A 18 LEU HBx H 1 1.439 0.020 A 18 LEU HDx% H 1 0.726 0.020 A 18 LEU HDy% H 1 0.780 0.020 A 18 LEU HG H 1 1.486 0.020 A 18 LEU CA C 13 52.662 0.300 A 18 LEU CB C 13 39.514 0.300 A 18 LEU CDx C 13 20.747 0.300 A 18 LEU CDy C 13 22.106 0.300 A 18 LEU CG C 13 24.160 0.300 A 18 LEU N N 15 121.161 0.300 A 19 LYS H H 1 7.906 0.020 A 19 LYS HA H 1 4.124 0.020 A 19 LYS HBy H 1 1.670 0.020 A 19 LYS HBx H 1 1.614 0.020 A 19 LYS HDx H 1 1.492 0.020 A 19 LYS HDy H 1 1.492 0.020 A 19 LYS HEx H 1 2.799 0.020 A 19 LYS HEy H 1 2.799 0.020 A 19 LYS HGy H 1 1.269 0.020 A 19 LYS HGx H 1 1.180 0.020 A 19 LYS CA C 13 53.666 0.300 A 19 LYS CB C 13 29.930 0.300 A 19 LYS CD C 13 26.340 0.300 A 19 LYS CE C 13 39.326 0.300 A 19 LYS CG C 13 21.924 0.300 A 19 LYS N N 15 121.494 0.300 A 20 ILE H H 1 7.918 0.020 A 20 ILE HA H 1 4.044 0.020 A 20 ILE HB H 1 1.703 0.020 A 20 ILE HD1% H 1 0.672 0.020 A 20 ILE HG1y H 1 1.265 0.020 A 20 ILE HG1x H 1 1.004 0.020 A 20 ILE HG2% H 1 0.709 0.020 A 20 ILE CA C 13 58.349 0.300 A 20 ILE CB C 13 35.926 0.300 A 20 ILE CD1 C 13 10.153 0.300 A 20 ILE CG1 C 13 24.289 0.300 A 20 ILE CG2 C 13 14.692 0.300 A 20 ILE N N 15 121.282 0.300 A 21 SER H H 1 8.125 0.020 A 21 SER HA H 1 4.341 0.020 A 21 SER HBx H 1 3.705 0.020 A 21 SER HBy H 1 3.705 0.020 A 21 SER CA C 13 55.333 0.300 A 21 SER CB C 13 61.220 0.300 A 21 SER N N 15 119.658 0.300 A 22 ASN H H 1 8.030 0.020 A 22 ASN HA H 1 4.419 0.020 A 22 ASN HBx H 1 2.606 0.020 A 22 ASN HBy H 1 2.606 0.020 A 22 ASN HD2y H 1 7.415 0.020 A 22 ASN HD2x H 1 6.691 0.020 A 22 ASN CA C 13 51.346 0.300 A 22 ASN CB C 13 37.162 0.300 A 22 ASN N N 15 124.885 0.300 A 22 ASN ND2 N 15 124.607 0.300 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 THR HA H 1 3.944 0.020 A 1 THR HB H 1 4.235 0.020 A 1 THR HG2% H 1 1.296 0.020 A 2 ASP H H 1 8.920 0.020 A 2 ASP HA H 1 4.675 0.020 A 2 ASP HBy H 1 2.819 0.020 A 2 ASP HBx H 1 2.745 0.020 A 3 GLU H H 1 8.496 0.020 A 3 GLU HA H 1 4.244 0.020 A 3 GLU HBy H 1 2.050 0.020 A 3 GLU HBx H 1 1.960 0.020 A 3 GLU HGx H 1 2.389 0.020 A 3 GLU HGy H 1 2.389 0.020 A 4 ASP H H 1 8.284 0.020 A 4 ASP HA H 1 4.560 0.020 A 4 ASP HBx H 1 2.740 0.020 A 4 ASP HBy H 1 2.740 0.020 A 5 VAL H H 1 7.871 0.020 A 5 VAL HA H 1 3.913 0.020 A 5 VAL HB H 1 2.098 0.020 A 5 VAL HGx% H 1 0.921 0.020 A 5 VAL HGy% H 1 0.957 0.020 A 6 LYS H H 1 8.101 0.020 A 6 LYS HA H 1 4.105 0.020 A 6 LYS HBx H 1 1.758 0.020 A 6 LYS HBy H 1 1.758 0.020 A 6 LYS HDx H 1 1.649 0.020 A 6 LYS HDy H 1 1.649 0.020 A 6 LYS HEx H 1 2.598 0.020 A 6 LYS HEy H 1 2.598 0.020 A 6 LYS HGy H 1 1.449 0.020 A 6 LYS HGx H 1 1.351 0.020 A 7 LYS H H 1 7.950 0.020 A 7 LYS HA H 1 4.144 0.020 A 7 LYS HBx H 1 1.648 0.020 A 7 LYS HBy H 1 1.648 0.020 A 7 LYS HDx H 1 1.498 0.020 A 7 LYS HDy H 1 1.498 0.020 A 7 LYS HEx H 1 2.947 0.020 A 7 LYS HEy H 1 2.947 0.020 A 7 LYS HGy H 1 1.371 0.020 A 7 LYS HGx H 1 1.277 0.020 A 8 TRP H H 1 7.978 0.020 A 8 TRP HA H 1 4.541 0.020 A 8 TRP HBy H 1 3.337 0.020 A 8 TRP HBx H 1 3.298 0.020 A 8 TRP HD1 H 1 7.245 0.020 A 8 TRP HE1 H 1 10.107 0.020 A 8 TRP HE3 H 1 7.553 0.020 A 8 TRP HH2 H 1 7.189 0.020 A 8 TRP HZ2 H 1 7.463 0.020 A 8 TRP HZ3 H 1 7.093 0.020 A 9 ARG H H 1 8.123 0.020 A 9 ARG HA H 1 3.981 0.020 A 9 ARG HBx H 1 1.792 0.020 A 9 ARG HBy H 1 1.792 0.020 A 9 ARG HDx H 1 3.132 0.020 A 9 ARG HDy H 1 3.132 0.020 A 9 ARG HE H 1 7.181 0.020 A 9 ARG HGy H 1 1.620 0.020 A 9 ARG HGx H 1 1.497 0.020 A 10 GLU H H 1 8.037 0.020 A 10 GLU HA H 1 4.149 0.020 A 10 GLU HBx H 1 2.075 0.020 A 10 GLU HBy H 1 2.075 0.020 A 10 GLU HGy H 1 2.444 0.020 A 10 GLU HGx H 1 2.421 0.020 A 11 GLU H H 1 8.182 0.020 A 11 GLU HA H 1 4.193 0.020 A 11 GLU HBx H 1 2.064 0.020 A 11 GLU HBy H 1 2.064 0.020 A 11 GLU HGy H 1 2.456 0.020 A 11 GLU HGx H 1 2.420 0.020 A 12 ARG H H 1 8.058 0.020 A 12 ARG HA H 1 4.115 0.020 A 12 ARG HBy H 1 1.743 0.020 A 12 ARG HBx H 1 1.657 0.020 A 12 ARG HDx H 1 2.978 0.020 A 12 ARG HDy H 1 2.978 0.020 A 12 ARG HE H 1 7.063 0.020 A 12 ARG HGx H 1 1.486 0.020 A 12 ARG HGy H 1 1.486 0.020 A 13 LYS H H 1 7.934 0.020 A 13 LYS HA H 1 4.130 0.020 A 13 LYS HBy H 1 1.815 0.020 A 13 LYS HBx H 1 1.753 0.020 A 13 LYS HDx H 1 1.618 0.020 A 13 LYS HDy H 1 1.618 0.020 A 13 LYS HEx H 1 2.947 0.020 A 13 LYS HEy H 1 2.947 0.020 A 13 LYS HGy H 1 1.443 0.020 A 13 LYS HGx H 1 1.370 0.020 A 14 LYS H H 1 7.999 0.020 A 14 LYS HA H 1 4.085 0.020 A 14 LYS HBy H 1 1.809 0.020 A 14 LYS HBx H 1 1.724 0.020 A 14 LYS HDx H 1 1.641 0.020 A 14 LYS HDy H 1 1.641 0.020 A 14 LYS HEx H 1 2.946 0.020 A 14 LYS HEy H 1 2.946 0.020 A 14 LYS HGx H 1 1.399 0.020 A 14 LYS HGy H 1 1.399 0.020 A 15 MET H H 1 8.044 0.020 A 15 MET HA H 1 4.300 0.020 A 15 MET HBx H 1 1.987 0.020 A 15 MET HBy H 1 1.987 0.020 A 15 MET HE% H 1 2.021 0.020 A 15 MET HGy H 1 2.526 0.020 A 15 MET HGx H 1 2.446 0.020 A 16 TRP H H 1 7.939 0.020 A 16 TRP HA H 1 4.602 0.020 A 16 TRP HBy H 1 3.323 0.020 A 16 TRP HBx H 1 3.271 0.020 A 16 TRP HD1 H 1 7.218 0.020 A 16 TRP HE1 H 1 10.133 0.020 A 16 TRP HE3 H 1 7.606 0.020 A 16 TRP HH2 H 1 7.210 0.020 A 16 TRP HZ2 H 1 7.477 0.020 A 16 TRP HZ3 H 1 7.130 0.020 A 17 LEU H H 1 7.829 0.020 A 17 LEU HA H 1 4.176 0.020 A 17 LEU HBy H 1 1.561 0.020 A 17 LEU HBx H 1 1.505 0.020 A 17 LEU HDx% H 1 0.814 0.020 A 17 LEU HDy% H 1 0.857 0.020 A 17 LEU HG H 1 1.459 0.020 A 18 LEU H H 1 7.798 0.020 A 18 LEU HA H 1 4.242 0.020 A 18 LEU HBy H 1 1.621 0.020 A 18 LEU HBx H 1 1.579 0.020 A 18 LEU HDx% H 1 0.852 0.020 A 18 LEU HDy% H 1 0.905 0.020 A 18 LEU HG H 1 1.621 0.020 A 19 LYS H H 1 7.998 0.020 A 19 LYS HA H 1 4.275 0.020 A 20 ILE H H 1 7.985 0.020 A 20 ILE HA H 1 4.188 0.020 A 20 ILE HB H 1 1.836 0.020 A 20 ILE HD1% H 1 0.814 0.020 A 20 ILE HG1y H 1 1.404 0.020 A 20 ILE HG1x H 1 1.136 0.020 A 20 ILE HG2% H 1 0.850 0.020 A 21 SER H H 1 8.191 0.020 A 21 SER HA H 1 4.479 0.020 A 21 SER HBx H 1 3.831 0.020 A 21 SER HBy H 1 3.831 0.020 A 22 ASN H H 1 8.094 0.020 A 22 ASN HA H 1 4.540 0.020 A 22 ASN HBx H 1 2.708 0.020 A 22 ASN HBy H 1 2.708 0.020 A 22 ASN HD2y H 1 7.475 0.020 A 22 ASN HD2x H 1 6.764 0.020 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 8 TRP HE1 A 9 ARG HBx 1.0 0.0 5.44 2 1 A 8 TRP HE1 A 9 ARG HBy 1.0 0.0 5.44 3 2 A 8 TRP HE1 A 9 ARG HGx 1.0 0.0 5.13 4 3 A 16 TRP HE1 A 13 LYS HDx 1.0 0.0 5.05 5 3 A 13 LYS HDy A 16 TRP HE1 1.0 0.0 5.05 6 4 A 16 TRP HE1 A 17 LEU HDx% 1.0 0.0 4.37 7 5 A 2 ASP H A 3 GLU H 1.0 0.0 3.76 8 6 A 3 GLU H A 5 VAL H 1.0 0.0 4.94 9 7 A 5 VAL H A 4 ASP H 1.0 0.0 3.26 10 8 A 4 ASP H A 7 LYS H 1.0 0.0 5.27 11 9 A 7 LYS H A 9 ARG H 1.0 0.0 4.05 12 10 A 13 LYS H A 14 LYS H 1.0 0.0 3.13 13 11 A 15 MET H A 18 LEU H 1.0 0.0 5.04 14 12 A 18 LEU H A 17 LEU H 1.0 0.0 3.18 15 13 A 15 MET H A 16 TRP H 1.0 0.0 3.00 16 14 A 14 LYS H A 15 MET H 1.0 0.0 2.96 17 15 A 9 ARG H A 8 TRP HE3 1.0 0.0 3.98 18 16 A 8 TRP HE3 A 8 TRP H 1.0 0.0 5.12 19 17 A 7 LYS H A 8 TRP HD1 1.0 0.0 5.15 20 18 A 2 ASP H A 1 THR HB 1.0 0.0 3.78 21 19 A 2 ASP H A 1 THR HA 1.0 0.0 2.94 22 20 A 3 GLU H A 1 THR HA 1.0 0.0 5.01 23 21 A 3 GLU H A 1 THR HB 1.0 0.0 3.62 24 22 A 3 GLU H A 2 ASP HA 1.0 0.0 3.56 25 23 A 3 GLU H A 4 ASP HA 1.0 0.0 5.49 26 24 A 4 ASP H A 2 ASP HA 1.0 0.0 4.58 27 25 A 8 TRP HA A 11 GLU H 1.0 0.0 3.25 28 26 A 21 SER HA A 22 ASN H 1.0 0.0 3.54 29 27 A 15 MET H A 16 TRP HA 1.0 0.0 5.49 30 28 A 7 LYS H A 4 ASP HA 1.0 0.0 4.23 31 29 A 5 VAL H A 2 ASP HA 1.0 0.0 4.60 32 30 A 18 LEU H A 16 TRP HA 1.0 0.0 4.64 33 31 A 16 TRP HH2 A 17 LEU HA 1.0 0.0 4.49 34 32 A 13 LYS HA A 16 TRP HD1 1.0 0.0 4.31 35 33 A 16 TRP HD1 A 12 ARG HA 1.0 0.0 4.77 36 34 A 12 ARG HA A 12 ARG HE 1.0 0.0 4.75 37 35 A 8 TRP HZ3 A 9 ARG HA 1.0 0.0 4.98 38 36 A 8 TRP HD1 A 5 VAL HA 1.0 0.0 4.32 39 37 A 8 TRP HE3 A 9 ARG HA 1.0 0.0 3.89 40 38 A 17 LEU HA A 16 TRP HE3 1.0 0.0 4.44 41 39 A 4 ASP H A 1 THR HB 1.0 0.0 3.91 42 40 A 19 LYS HA A 21 SER H 1.0 0.0 4.68 43 41 A 21 SER H A 20 ILE HA 1.0 0.0 3.47 44 42 A 4 ASP H A 5 VAL HA 1.0 0.0 5.20 45 43 A 21 SER H A 21 SER HBx 1.0 0.0 3.42 46 43 A 21 SER H A 21 SER HBy 1.0 0.0 3.42 47 44 A 9 ARG H A 5 VAL HA 1.0 0.0 4.43 48 45 A 11 GLU H A 10 GLU HA 1.0 0.0 3.52 49 46 A 9 ARG H A 6 LYS HA 1.0 0.0 3.66 50 47 A 6 LYS H A 7 LYS HA 1.0 0.0 5.37 51 48 A 22 ASN H A 21 SER HBx 1.0 0.0 4.43 52 48 A 22 ASN H A 21 SER HBy 1.0 0.0 4.43 53 49 A 6 LYS H A 3 GLU HA 1.0 0.0 4.21 54 50 A 22 ASN H A 20 ILE HA 1.0 0.0 4.78 55 51 A 10 GLU HA A 10 GLU H 1.0 0.0 2.94 56 52 A 12 ARG HA A 12 ARG H 1.0 0.0 2.84 57 53 A 9 ARG HA A 10 GLU H 1.0 0.0 3.56 58 54 A 8 TRP H A 5 VAL HA 1.0 0.0 3.90 59 55 A 13 LYS H A 9 ARG HA 1.0 0.0 4.56 60 56 A 13 LYS H A 12 ARG HA 1.0 0.0 3.56 61 57 A 7 LYS H A 6 LYS HA 1.0 0.0 3.52 62 58 A 13 LYS H A 11 GLU HA 1.0 0.0 4.44 63 59 A 17 LEU H A 14 LYS HA 1.0 0.0 4.22 64 60 A 17 LEU H A 13 LYS HA 1.0 0.0 4.64 65 61 A 17 LEU H A 18 LEU HA 1.0 0.0 5.32 66 62 A 5 VAL H A 3 GLU HA 1.0 0.0 4.72 67 63 A 17 LEU H A 15 MET HA 1.0 0.0 4.61 68 64 A 18 LEU H A 15 MET HA 1.0 0.0 4.27 69 65 A 18 LEU H A 14 LYS HA 1.0 0.0 5.21 70 66 A 2 ASP H A 2 ASP HBy 1.0 0.0 3.90 71 67 A 2 ASP H A 2 ASP HBx 1.0 0.0 3.90 72 68 A 3 GLU H A 2 ASP HBx 1.0 0.0 4.16 73 69 A 3 GLU H A 2 ASP HBy 1.0 0.0 4.16 74 70 A 3 GLU H A 3 GLU HGx 1.0 0.0 3.65 75 70 A 3 GLU H A 3 GLU HGy 1.0 0.0 3.65 76 71 A 2 ASP H A 1 THR HG2% 1.0 0.0 4.31 77 72 A 3 GLU H A 1 THR HG2% 1.0 0.0 5.05 78 73 A 3 GLU H A 3 GLU HBy 1.0 0.0 3.59 79 74 A 3 GLU H A 3 GLU HBx 1.0 0.0 3.59 80 75 A 17 LEU H A 16 TRP HBy 1.0 0.0 4.18 81 76 A 9 ARG H A 9 ARG HDx 1.0 0.0 4.44 82 76 A 9 ARG H A 9 ARG HDy 1.0 0.0 4.44 83 77 A 9 ARG H A 12 ARG HDx 1.0 0.0 5.50 84 77 A 9 ARG H A 12 ARG HDy 1.0 0.0 5.50 85 78 A 12 ARG H A 12 ARG HDx 1.0 0.0 4.13 86 78 A 12 ARG H A 12 ARG HDy 1.0 0.0 4.13 87 79 A 7 LYS H A 7 LYS HEx 1.0 0.0 5.50 88 79 A 7 LYS H A 7 LYS HEy 1.0 0.0 5.50 89 80 A 13 LYS H A 12 ARG HDx 1.0 0.0 5.33 90 80 A 13 LYS H A 12 ARG HDy 1.0 0.0 5.33 91 81 A 13 LYS H A 13 LYS HEx 1.0 0.0 5.50 92 81 A 13 LYS H A 13 LYS HEy 1.0 0.0 5.50 93 82 A 5 VAL H A 4 ASP HBx 1.0 0.0 3.37 94 82 A 5 VAL H A 4 ASP HBy 1.0 0.0 3.37 95 83 A 20 ILE H A 22 ASN HBx 1.0 0.0 5.50 96 83 A 20 ILE H A 22 ASN HBy 1.0 0.0 5.50 97 84 A 15 MET H A 15 MET HGx 1.0 0.0 3.82 98 85 A 16 TRP H A 15 MET HGx 1.0 0.0 4.99 99 86 A 16 TRP H A 15 MET HGy 1.0 0.0 4.99 100 87 A 10 GLU H A 10 GLU HGy 1.0 0.0 3.40 101 88 A 15 MET H A 15 MET HGy 1.0 0.0 3.82 102 89 A 10 GLU H A 10 GLU HGx 1.0 0.0 3.91 103 90 A 11 GLU H A 10 GLU HGx 1.0 0.0 3.60 104 91 A 11 GLU H A 10 GLU HGy 1.0 0.0 3.56 105 92 A 4 ASP H A 3 GLU HGx 1.0 0.0 4.51 106 92 A 4 ASP H A 3 GLU HGy 1.0 0.0 4.51 107 93 A 4 ASP H A 4 ASP HBx 1.0 0.0 2.88 108 93 A 4 ASP H A 4 ASP HBy 1.0 0.0 2.88 109 94 A 4 ASP H A 3 GLU HBy 1.0 0.0 4.14 110 95 A 4 ASP H A 3 GLU HBx 1.0 0.0 4.14 111 96 A 11 GLU H A 11 GLU HBx 1.0 0.0 2.77 112 96 A 11 GLU H A 11 GLU HBy 1.0 0.0 2.77 113 97 A 6 LYS H A 5 VAL HB 1.0 0.0 3.56 114 98 A 12 ARG H A 11 GLU HBx 1.0 0.0 3.15 115 98 A 12 ARG H A 11 GLU HBy 1.0 0.0 3.15 116 99 A 15 MET H A 15 MET HBx 1.0 0.0 2.90 117 99 A 15 MET H A 15 MET HBy 1.0 0.0 2.90 118 100 A 8 TRP H A 11 GLU HBx 1.0 0.0 4.51 119 100 A 8 TRP H A 11 GLU HBy 1.0 0.0 4.51 120 101 A 7 LYS H A 5 VAL HB 1.0 0.0 5.07 121 102 A 16 TRP H A 15 MET HBx 1.0 0.0 3.35 122 102 A 16 TRP H A 15 MET HBy 1.0 0.0 3.35 123 103 A 5 VAL H A 5 VAL HB 1.0 0.0 3.14 124 104 A 17 LEU H A 15 MET HBx 1.0 0.0 4.89 125 104 A 17 LEU H A 15 MET HBy 1.0 0.0 4.89 126 105 A 13 LYS H A 13 LYS HBx 1.0 0.0 3.39 127 106 A 13 LYS H A 12 ARG HBx 1.0 0.0 3.84 128 107 A 13 LYS H A 12 ARG HBy 1.0 0.0 3.77 129 108 A 7 LYS H A 7 LYS HBx 1.0 0.0 2.67 130 108 A 7 LYS H A 7 LYS HBy 1.0 0.0 2.67 131 109 A 8 TRP H A 7 LYS HBx 1.0 0.0 3.09 132 109 A 8 TRP H A 7 LYS HBy 1.0 0.0 3.09 133 110 A 10 GLU H A 9 ARG HBx 1.0 0.0 3.22 134 110 A 9 ARG HBy A 10 GLU H 1.0 0.0 3.22 135 111 A 12 ARG H A 12 ARG HBx 1.0 0.0 3.58 136 112 A 12 ARG H A 12 ARG HBy 1.0 0.0 3.05 137 113 A 9 ARG H A 9 ARG HBx 1.0 0.0 2.96 138 113 A 9 ARG HBy A 9 ARG H 1.0 0.0 2.96 139 114 A 21 SER H A 20 ILE HB 1.0 0.0 4.15 140 115 A 9 ARG HGx A 9 ARG H 1.0 0.0 3.49 141 116 A 11 GLU H A 12 ARG HGx 1.0 0.0 4.95 142 116 A 11 GLU H A 12 ARG HGy 1.0 0.0 4.95 143 117 A 12 ARG H A 12 ARG HGx 1.0 0.0 3.40 144 117 A 12 ARG H A 12 ARG HGy 1.0 0.0 3.40 145 118 A 18 LEU HBx A 19 LYS H 1.0 0.0 3.95 146 119 A 16 TRP H A 17 LEU HG 1.0 0.0 4.73 147 120 A 17 LEU H A 17 LEU HG 1.0 0.0 3.04 148 121 A 17 LEU H A 17 LEU HBy 1.0 0.0 3.15 149 122 A 18 LEU H A 17 LEU HBx 1.0 0.0 3.75 150 123 A 18 LEU H A 18 LEU HBy 1.0 0.0 3.13 151 124 A 4 ASP H A 1 THR HG2% 1.0 0.0 5.23 152 125 A 21 SER H A 20 ILE HG2% 1.0 0.0 3.96 153 126 A 9 ARG H A 5 VAL HGx% 1.0 0.0 4.76 154 127 A 9 ARG H A 5 VAL HGy% 1.0 0.0 5.45 155 128 A 22 ASN H A 20 ILE HG2% 1.0 0.0 4.99 156 129 A 6 LYS H A 5 VAL HGx% 1.0 0.0 3.69 157 130 A 6 LYS H A 5 VAL HGy% 1.0 0.0 4.05 158 131 A 6 LYS H A 6 LYS HGy 1.0 0.0 4.53 159 132 A 20 ILE H A 20 ILE HG1y 1.0 0.0 3.86 160 133 A 14 LYS H A 14 LYS HGx 1.0 0.0 3.86 161 134 A 20 ILE H A 20 ILE HG1x 1.0 0.0 3.86 162 135 A 15 MET H A 18 LEU HDx% 1.0 0.0 5.23 163 136 A 20 ILE H A 20 ILE HD1% 1.0 0.0 4.62 164 137 A 7 LYS H A 5 VAL HGx% 1.0 0.0 4.52 165 138 A 19 LYS H A 18 LEU HDy% 1.0 0.0 4.99 166 139 A 7 LYS H A 5 VAL HGy% 1.0 0.0 5.50 167 140 A 5 VAL H A 5 VAL HGy% 1.0 0.0 2.97 168 141 A 17 LEU H A 17 LEU HDy% 1.0 0.0 4.29 169 142 A 17 LEU H A 18 LEU HDx% 1.0 0.0 4.62 170 143 A 17 LEU HDx% A 17 LEU H 1.0 0.0 3.95 171 144 A 18 LEU H A 18 LEU HDx% 1.0 0.0 4.04 172 145 A 18 LEU H A 18 LEU HDy% 1.0 0.0 4.20 173 146 A 20 ILE HD1% A 16 TRP HZ2 1.0 0.0 5.50 174 147 A 17 LEU HDx% A 16 TRP HZ2 1.0 0.0 4.72 175 148 A 20 ILE HG2% A 16 TRP HZ3 1.0 0.0 4.31 176 149 A 17 LEU HDy% A 16 TRP HZ3 1.0 0.0 5.16 177 150 A 5 VAL HGx% A 9 ARG HE 1.0 0.0 4.32 178 151 A 8 TRP HD1 A 5 VAL HGx% 1.0 0.0 4.78 179 152 A 8 TRP HD1 A 5 VAL HGy% 1.0 0.0 4.75 180 153 A 8 TRP HZ3 A 5 VAL HGx% 1.0 0.0 5.50 181 154 A 16 TRP HE3 A 17 LEU HG 1.0 0.0 4.33 182 155 A 8 TRP HE3 A 9 ARG HGy 1.0 0.0 4.97 183 156 A 8 TRP HE3 A 12 ARG HBy 1.0 0.0 4.13 184 157 A 8 TRP HE3 A 9 ARG HBx 1.0 0.0 4.96 185 157 A 9 ARG HBy A 8 TRP HE3 1.0 0.0 4.96 186 158 A 8 TRP HE3 A 11 GLU HBx 1.0 0.0 4.58 187 158 A 8 TRP HE3 A 11 GLU HBy 1.0 0.0 4.58 188 159 A 9 ARG HGx A 8 TRP HZ2 1.0 0.0 5.13 189 160 A 16 TRP HZ2 A 13 LYS HDx 1.0 0.0 5.41 190 160 A 13 LYS HDy A 16 TRP HZ2 1.0 0.0 5.41 191 161 A 9 ARG HE A 9 ARG HGy 1.0 0.0 3.81 192 162 A 16 TRP HD1 A 13 LYS HDx 1.0 0.0 4.75 193 162 A 13 LYS HDy A 16 TRP HD1 1.0 0.0 4.75 194 163 A 8 TRP HD1 A 7 LYS HBx 1.0 0.0 4.20 195 163 A 8 TRP HD1 A 7 LYS HBy 1.0 0.0 4.20 196 164 A 16 TRP HD1 A 12 ARG HBx 1.0 0.0 4.66 197 165 A 9 ARG HE A 9 ARG HBx 1.0 0.0 4.04 198 165 A 9 ARG HBy A 9 ARG HE 1.0 0.0 4.04 199 166 A 16 TRP HD1 A 15 MET HBx 1.0 0.0 4.48 200 166 A 16 TRP HD1 A 15 MET HBy 1.0 0.0 4.48 201 167 A 12 ARG HE A 12 ARG HGx 1.0 0.0 3.88 202 167 A 12 ARG HE A 12 ARG HGy 1.0 0.0 3.88 203 168 A 12 ARG HE A 12 ARG HBy 1.0 0.0 4.40 204 169 A 8 TRP HZ3 A 9 ARG HGy 1.0 0.0 4.88 205 170 A 12 ARG HE A 12 ARG HBx 1.0 0.0 4.30 206 171 A 8 TRP HD1 A 4 ASP HBx 1.0 0.0 4.85 207 171 A 8 TRP HD1 A 4 ASP HBy 1.0 0.0 4.85 208 172 A 16 TRP HD1 A 13 LYS HEx 1.0 0.0 4.50 209 172 A 16 TRP HD1 A 13 LYS HEy 1.0 0.0 4.50 210 173 A 8 TRP HH2 A 12 ARG HDx 1.0 0.0 4.81 211 173 A 12 ARG HDy A 8 TRP HH2 1.0 0.0 4.81 212 174 A 16 TRP HD1 A 16 TRP HBx 1.0 0.0 3.40 213 175 A 16 TRP HD1 A 16 TRP HBy 1.0 0.0 3.83 214 176 A 8 TRP HD1 A 8 TRP HBx 1.0 0.0 3.36 215 177 A 8 TRP HE3 A 12 ARG HDx 1.0 0.0 4.41 216 177 A 8 TRP HE3 A 12 ARG HDy 1.0 0.0 4.41 217 178 A 16 TRP HZ2 A 13 LYS HEx 1.0 0.0 4.12 218 178 A 13 LYS HEy A 16 TRP HZ2 1.0 0.0 4.12 219 179 A 8 TRP HE3 A 8 TRP HBy 1.0 0.0 3.50 220 180 A 16 TRP HE3 A 16 TRP HBy 1.0 0.0 3.53 221 181 A 10 GLU HA A 10 GLU HGx 1.0 0.0 3.98 222 182 A 9 ARG HA A 10 GLU HBx 1.0 0.0 5.25 223 182 A 9 ARG HA A 10 GLU HBy 1.0 0.0 5.25 224 183 A 12 ARG HA A 11 GLU HBx 1.0 0.0 4.78 225 183 A 12 ARG HA A 11 GLU HBy 1.0 0.0 4.78 226 184 A 9 ARG HA A 9 ARG HGy 1.0 0.0 3.82 227 185 A 9 ARG HA A 12 ARG HGx 1.0 0.0 4.86 228 185 A 9 ARG HA A 12 ARG HGy 1.0 0.0 4.86 229 186 A 1 THR HA A 1 THR HG2% 1.0 0.0 3.48 230 187 A 17 LEU HDx% A 14 LYS HA 1.0 0.0 5.21 231 188 A 5 VAL HA A 5 VAL HGx% 1.0 0.0 3.16 232 189 A 5 VAL HA A 5 VAL HGy% 1.0 0.0 3.11 233 190 A 20 ILE HG2% A 21 SER HBx 1.0 0.0 4.83 234 190 A 21 SER HBy A 20 ILE HG2% 1.0 0.0 4.83 235 191 A 8 TRP HBy A 12 ARG HDx 1.0 0.0 5.04 236 191 A 12 ARG HDy A 8 TRP HBy 1.0 0.0 5.04 237 192 A 8 TRP HBy A 7 LYS HBx 1.0 0.0 5.19 238 192 A 7 LYS HBy A 8 TRP HBy 1.0 0.0 5.19 239 193 A 8 TRP HBx A 7 LYS HBx 1.0 0.0 4.72 240 193 A 7 LYS HBy A 8 TRP HBx 1.0 0.0 4.72 241 194 A 12 ARG HBy A 8 TRP HBy 1.0 0.0 4.93 242 195 A 17 LEU HG A 16 TRP HBx 1.0 0.0 5.50 243 196 A 5 VAL HGy% A 9 ARG HDx 1.0 0.0 5.24 244 196 A 9 ARG HDy A 5 VAL HGy% 1.0 0.0 5.24 245 197 A 17 LEU HDx% A 13 LYS HEx 1.0 0.0 5.31 246 197 A 17 LEU HDx% A 13 LYS HEy 1.0 0.0 5.31 247 198 A 17 LEU HDy% A 13 LYS HEx 1.0 0.0 5.39 248 198 A 13 LYS HEy A 17 LEU HDy% 1.0 0.0 5.39 249 199 A 5 VAL HGy% A 4 ASP HBx 1.0 0.0 4.01 250 199 A 4 ASP HBy A 5 VAL HGy% 1.0 0.0 4.01 251 200 A 5 VAL HGx% A 4 ASP HBx 1.0 0.0 5.50 252 200 A 4 ASP HBy A 5 VAL HGx% 1.0 0.0 5.50 253 201 A 5 VAL HGx% A 6 LYS HEx 1.0 0.0 5.50 254 201 A 5 VAL HGx% A 6 LYS HEy 1.0 0.0 5.50 255 202 A 1 THR HG2% A 4 ASP HBx 1.0 0.0 5.50 256 202 A 1 THR HG2% A 4 ASP HBy 1.0 0.0 5.50 257 203 A 4 ASP HBy A 7 LYS HDx 1.0 0.0 5.07 258 203 A 4 ASP HBx A 7 LYS HDx 1.0 0.0 5.07 259 203 A 7 LYS HDy A 4 ASP HBx 1.0 0.0 5.07 260 203 A 4 ASP HBy A 7 LYS HDy 1.0 0.0 5.07 261 204 A 6 LYS HBx A 6 LYS HEx 1.0 0.0 3.83 262 204 A 6 LYS HBy A 6 LYS HEx 1.0 0.0 3.83 263 204 A 6 LYS HEy A 6 LYS HBx 1.0 0.0 3.83 264 204 A 6 LYS HEy A 6 LYS HBy 1.0 0.0 3.83 265 205 A 10 GLU HGy A 9 ARG HBx 1.0 0.0 4.75 266 205 A 9 ARG HBy A 10 GLU HGy 1.0 0.0 4.75 267 206 A 3 GLU HGx A 6 LYS HDx 1.0 0.0 5.12 268 206 A 3 GLU HGy A 6 LYS HDx 1.0 0.0 5.12 269 206 A 6 LYS HDy A 3 GLU HGx 1.0 0.0 5.12 270 206 A 3 GLU HGy A 6 LYS HDy 1.0 0.0 5.12 271 207 A 1 THR HG2% A 3 GLU HGx 1.0 0.0 5.12 272 207 A 3 GLU HGy A 1 THR HG2% 1.0 0.0 5.12 273 208 A 5 VAL HB A 4 ASP HBx 1.0 0.0 5.50 274 208 A 4 ASP HBy A 5 VAL HB 1.0 0.0 5.50 275 209 A 3 GLU HGx A 6 LYS HEx 1.0 0.0 5.50 276 209 A 3 GLU HGy A 6 LYS HEx 1.0 0.0 5.50 277 209 A 6 LYS HEy A 3 GLU HGx 1.0 0.0 5.50 278 209 A 3 GLU HGy A 6 LYS HEy 1.0 0.0 5.50 279 210 A 20 ILE HB A 20 ILE HD1% 1.0 0.0 3.94 280 211 A 17 LEU HDx% A 17 LEU HBy 1.0 0.0 3.55 281 212 A 17 LEU HBx A 17 LEU HDy% 1.0 0.0 3.62 282 213 A 17 LEU HBy A 17 LEU HDy% 1.0 0.0 3.45 283 214 A 17 LEU HBy A 18 LEU HDx% 1.0 0.0 3.63 284 215 A 18 LEU HBy A 18 LEU HDy% 1.0 0.0 3.38 285 216 A 18 LEU HBx A 18 LEU HDy% 1.0 0.0 3.33 286 217 A 5 VAL HGx% A 9 ARG HBx 1.0 0.0 4.44 287 217 A 9 ARG HBy A 5 VAL HGx% 1.0 0.0 4.44 288 218 A 9 ARG HGx A 9 ARG HBx 1.0 0.0 2.78 289 218 A 9 ARG HBy A 9 ARG HGx 1.0 0.0 2.78 290 219 A 5 VAL HGy% A 6 LYS HBx 1.0 0.0 5.50 291 219 A 5 VAL HGy% A 6 LYS HBy 1.0 0.0 5.50 292 220 A 5 VAL HGy% A 7 LYS HBx 1.0 0.0 5.50 293 220 A 7 LYS HBy A 5 VAL HGy% 1.0 0.0 5.50 294 221 A 5 VAL HGy% A 9 ARG HBx 1.0 0.0 5.50 295 221 A 9 ARG HBy A 5 VAL HGy% 1.0 0.0 5.50 296 222 A 9 ARG HGx A 5 VAL HGy% 1.0 0.0 4.79 297 223 A 3 GLU H A 4 ASP H 1.0 0.0 3.27 298 224 A 11 GLU H A 10 GLU H 1.0 0.0 2.64 299 225 A 17 LEU H A 16 TRP HE3 1.0 0.0 4.28 300 226 A 8 TRP HE3 A 12 ARG H 1.0 0.0 4.88 301 227 A 9 ARG H A 8 TRP HD1 1.0 0.0 4.17 302 228 A 15 MET H A 16 TRP HD1 1.0 0.0 4.46 303 229 A 12 ARG HE A 12 ARG H 1.0 0.0 5.50 304 230 A 9 ARG H A 9 ARG HE 1.0 0.0 5.50 305 231 A 17 LEU H A 16 TRP HD1 1.0 0.0 4.16 306 232 A 16 TRP H A 16 TRP HD1 1.0 0.0 3.53 307 233 A 7 LYS H A 5 VAL HA 1.0 0.0 4.52 308 234 A 9 ARG H A 8 TRP HBy 1.0 0.0 4.07 309 235 A 14 LYS H A 14 LYS HEx 1.0 0.0 5.39 310 235 A 14 LYS H A 14 LYS HEy 1.0 0.0 5.39 311 236 A 19 LYS H A 19 LYS HEx 1.0 0.0 5.50 312 236 A 19 LYS H A 19 LYS HEy 1.0 0.0 5.50 313 237 A 18 LEU H A 18 LEU HBx 1.0 0.0 4.02 314 238 A 13 LYS H A 13 LYS HGy 1.0 0.0 4.78 315 239 A 14 LYS H A 14 LYS HGy 1.0 0.0 3.86 316 240 A 6 LYS H A 6 LYS HDx 1.0 0.0 4.91 317 240 A 6 LYS H A 6 LYS HDy 1.0 0.0 4.91 318 241 A 9 ARG HGx A 6 LYS H 1.0 0.0 5.42 319 242 A 20 ILE H A 20 ILE HB 1.0 0.0 3.45 320 243 A 16 TRP HE3 A 17 LEU HBy 1.0 0.0 5.50 321 244 A 8 TRP HE3 A 5 VAL HGx% 1.0 0.0 5.48 322 245 A 16 TRP HE3 A 20 ILE HG2% 1.0 0.0 4.72 323 246 A 4 ASP H A 5 VAL HGy% 1.0 0.0 4.85 324 247 A 17 LEU HDx% A 16 TRP H 1.0 0.0 5.02 325 248 A 8 TRP H A 5 VAL HGy% 1.0 0.0 5.27 326 249 A 8 TRP H A 5 VAL HGx% 1.0 0.0 4.52 327 250 A 5 VAL H A 5 VAL HGx% 1.0 0.0 3.73 328 251 A 17 LEU H A 18 LEU HDy% 1.0 0.0 5.50 329 252 A 16 TRP HE3 A 16 TRP HBx 1.0 0.0 4.18 330 253 A 16 TRP HH2 A 13 LYS HEx 1.0 0.0 5.50 331 253 A 16 TRP HH2 A 13 LYS HEy 1.0 0.0 5.50 332 254 A 17 LEU HDx% A 16 TRP HH2 1.0 0.0 4.57 333 255 A 9 ARG HA A 8 TRP HBx 1.0 0.0 5.50 334 256 A 9 ARG HA A 8 TRP HBy 1.0 0.0 5.05 335 257 A 13 LYS HA A 16 TRP HBx 1.0 0.0 4.85 336 258 A 9 ARG HA A 9 ARG HDx 1.0 0.0 4.43 337 258 A 9 ARG HA A 9 ARG HDy 1.0 0.0 4.43 338 259 A 9 ARG HA A 12 ARG HDx 1.0 0.0 4.70 339 259 A 9 ARG HA A 12 ARG HDy 1.0 0.0 4.70 340 260 A 12 ARG HA A 12 ARG HDx 1.0 0.0 4.52 341 260 A 12 ARG HA A 12 ARG HDy 1.0 0.0 4.52 342 261 A 14 LYS HA A 14 LYS HEx 1.0 0.0 4.77 343 261 A 14 LYS HA A 14 LYS HEy 1.0 0.0 4.77 344 262 A 7 LYS HA A 7 LYS HEx 1.0 0.0 5.50 345 262 A 7 LYS HA A 7 LYS HEy 1.0 0.0 5.50 346 263 A 13 LYS HA A 13 LYS HEx 1.0 0.0 5.50 347 263 A 13 LYS HA A 13 LYS HEy 1.0 0.0 5.50 348 264 A 6 LYS HA A 9 ARG HDx 1.0 0.0 4.60 349 264 A 6 LYS HA A 9 ARG HDy 1.0 0.0 4.60 350 265 A 5 VAL HA A 4 ASP HBx 1.0 0.0 4.79 351 265 A 5 VAL HA A 4 ASP HBy 1.0 0.0 4.79 352 266 A 1 THR HB A 4 ASP HBx 1.0 0.0 5.32 353 266 A 1 THR HB A 4 ASP HBy 1.0 0.0 5.32 354 267 A 3 GLU HA A 6 LYS HEx 1.0 0.0 5.19 355 267 A 3 GLU HA A 6 LYS HEy 1.0 0.0 5.19 356 268 A 12 ARG HA A 15 MET HGx 1.0 0.0 5.05 357 269 A 15 MET HA A 15 MET HGx 1.0 0.0 4.20 358 270 A 15 MET HA A 15 MET HGy 1.0 0.0 4.20 359 271 A 10 GLU HA A 10 GLU HGy 1.0 0.0 3.73 360 272 A 12 ARG HA A 15 MET HGy 1.0 0.0 5.05 361 273 A 11 GLU HA A 10 GLU HGx 1.0 0.0 4.12 362 274 A 3 GLU HA A 3 GLU HGx 1.0 0.0 3.76 363 274 A 3 GLU HA A 3 GLU HGy 1.0 0.0 3.76 364 275 A 10 GLU HA A 10 GLU HBx 1.0 0.0 2.92 365 275 A 10 GLU HA A 10 GLU HBy 1.0 0.0 2.92 366 276 A 12 ARG HA A 15 MET HBx 1.0 0.0 3.85 367 276 A 12 ARG HA A 15 MET HBy 1.0 0.0 3.85 368 277 A 3 GLU HA A 6 LYS HBx 1.0 0.0 3.71 369 277 A 3 GLU HA A 6 LYS HBy 1.0 0.0 3.71 370 278 A 10 GLU HA A 13 LYS HBy 1.0 0.0 3.63 371 279 A 10 GLU HA A 13 LYS HBx 1.0 0.0 3.94 372 280 A 13 LYS HA A 13 LYS HDx 1.0 0.0 3.69 373 280 A 13 LYS HDy A 13 LYS HA 1.0 0.0 3.69 374 281 A 17 LEU HA A 17 LEU HG 1.0 0.0 3.77 375 282 A 3 GLU HA A 6 LYS HDx 1.0 0.0 3.75 376 282 A 3 GLU HA A 6 LYS HDy 1.0 0.0 3.75 377 283 A 15 MET HA A 17 LEU HBy 1.0 0.0 5.50 378 284 A 15 MET HA A 18 LEU HBx 1.0 0.0 5.50 379 285 A 15 MET HA A 18 LEU HBy 1.0 0.0 4.21 380 286 A 18 LEU HA A 17 LEU HBx 1.0 0.0 4.54 381 287 A 12 ARG HA A 12 ARG HGx 1.0 0.0 3.41 382 287 A 12 ARG HA A 12 ARG HGy 1.0 0.0 3.41 383 288 A 9 ARG HGx A 9 ARG HA 1.0 0.0 3.77 384 289 A 9 ARG HA A 12 ARG HBx 1.0 0.0 5.38 385 290 A 14 LYS HA A 17 LEU HBx 1.0 0.0 4.02 386 291 A 14 LYS HA A 17 LEU HG 1.0 0.0 4.38 387 292 A 15 MET HA A 18 LEU HDy% 1.0 0.0 4.21 388 293 A 18 LEU HA A 18 LEU HDy% 1.0 0.0 4.06 389 294 A 15 MET HA A 18 LEU HDx% 1.0 0.0 4.77 390 295 A 18 LEU HA A 18 LEU HDx% 1.0 0.0 3.17 391 296 A 20 ILE HA A 20 ILE HG2% 1.0 0.0 3.04 392 297 A 17 LEU HA A 17 LEU HDy% 1.0 0.0 4.23 393 298 A 14 LYS HA A 18 LEU HDx% 1.0 0.0 4.01 394 299 A 6 LYS HA A 5 VAL HGx% 1.0 0.0 4.51 395 300 A 9 ARG HA A 5 VAL HGx% 1.0 0.0 4.73 396 301 A 1 THR HA A 5 VAL HGy% 1.0 0.0 4.79 397 302 A 9 ARG HBy A 9 ARG HDx 1.0 0.0 3.40 398 302 A 9 ARG HBx A 9 ARG HDx 1.0 0.0 3.40 399 302 A 9 ARG HDy A 9 ARG HBx 1.0 0.0 3.40 400 302 A 9 ARG HBy A 9 ARG HDy 1.0 0.0 3.40 401 303 A 16 TRP HBy A 17 LEU HG 1.0 0.0 5.50 402 304 A 5 VAL HGx% A 9 ARG HDx 1.0 0.0 4.21 403 304 A 9 ARG HDy A 5 VAL HGx% 1.0 0.0 4.21 404 305 A 17 LEU HDx% A 14 LYS HEx 1.0 0.0 4.84 405 305 A 17 LEU HDx% A 14 LYS HEy 1.0 0.0 4.84 406 306 A 2 ASP HA A 5 VAL HGy% 1.0 0.0 4.35 407 307 A 4 ASP HA A 5 VAL HGy% 1.0 0.0 5.50 408 308 A 16 TRP HA A 19 LYS HDx 1.0 0.0 5.01 409 308 A 16 TRP HA A 19 LYS HDy 1.0 0.0 5.01 410 309 A 8 TRP HA A 7 LYS HDx 1.0 0.0 5.50 411 309 A 8 TRP HA A 7 LYS HDy 1.0 0.0 5.50 412 310 A 8 TRP HA A 12 ARG HBy 1.0 0.0 5.50 413 311 A 4 ASP HA A 7 LYS HBx 1.0 0.0 3.97 414 311 A 4 ASP HA A 7 LYS HBy 1.0 0.0 3.97 415 312 A 16 TRP HA A 19 LYS HBx 1.0 0.0 4.92 416 313 A 16 TRP HA A 19 LYS HBy 1.0 0.0 4.92 417 314 A 8 TRP HA A 7 LYS HBx 1.0 0.0 4.34 418 314 A 8 TRP HA A 7 LYS HBy 1.0 0.0 4.34 419 315 A 3 GLU HGx A 6 LYS HBx 1.0 0.0 4.92 420 315 A 3 GLU HGy A 6 LYS HBx 1.0 0.0 4.92 421 315 A 6 LYS HBy A 3 GLU HGx 1.0 0.0 4.92 422 315 A 3 GLU HGy A 6 LYS HBy 1.0 0.0 4.92 423 316 A 18 LEU HBy A 18 LEU HDx% 1.0 0.0 3.53 424 317 A 17 LEU HDx% A 17 LEU HBx 1.0 0.0 3.57 425 318 A 6 LYS HBy A 6 LYS HDx 1.0 0.0 2.90 426 318 A 6 LYS HBx A 6 LYS HDx 1.0 0.0 2.90 427 318 A 6 LYS HDy A 6 LYS HBx 1.0 0.0 2.90 428 318 A 6 LYS HBy A 6 LYS HDy 1.0 0.0 2.90 429 319 A 16 TRP HE1 A 17 LEU HDy% 1.0 0.0 4.70 430 320 A 4 ASP H A 6 LYS H 1.0 0.0 4.35 431 321 A 21 SER H A 20 ILE H 1.0 0.0 3.44 432 322 A 13 LYS H A 11 GLU H 1.0 0.0 4.05 433 323 A 22 ASN H A 21 SER H 1.0 0.0 3.37 434 324 A 9 ARG H A 11 GLU H 1.0 0.0 3.98 435 325 A 9 ARG H A 8 TRP H 1.0 0.0 3.02 436 326 A 7 LYS H A 6 LYS H 1.0 0.0 3.02 437 327 A 5 VAL H A 6 LYS H 1.0 0.0 3.13 438 328 A 13 LYS H A 12 ARG H 1.0 0.0 2.95 439 329 A 11 GLU H A 12 ARG H 1.0 0.0 3.43 440 330 A 9 ARG H A 10 GLU H 1.0 0.0 2.97 441 331 A 17 LEU H A 16 TRP H 1.0 0.0 3.02 442 332 A 18 LEU H A 19 LYS H 1.0 0.0 3.24 443 333 A 15 MET H A 17 LEU H 1.0 0.0 4.02 444 334 A 14 LYS H A 16 TRP HD1 1.0 0.0 5.02 445 335 A 8 TRP H A 8 TRP HD1 1.0 0.0 3.66 446 336 A 11 GLU H A 11 GLU HA 1.0 0.0 2.92 447 337 A 11 GLU H A 9 ARG HA 1.0 0.0 4.64 448 338 A 8 TRP HA A 12 ARG H 1.0 0.0 4.14 449 339 A 16 TRP HA A 19 LYS H 1.0 0.0 4.58 450 340 A 18 LEU HA A 19 LYS H 1.0 0.0 3.54 451 341 A 19 LYS HA A 19 LYS H 1.0 0.0 2.94 452 342 A 8 TRP HD1 A 9 ARG HA 1.0 0.0 5.50 453 343 A 8 TRP HZ2 A 12 ARG HDx 1.0 0.0 5.39 454 343 A 12 ARG HDy A 8 TRP HZ2 1.0 0.0 5.39 455 344 A 17 LEU H A 16 TRP HBx 1.0 0.0 3.96 456 345 A 9 ARG H A 8 TRP HBx 1.0 0.0 3.96 457 346 A 10 GLU H A 9 ARG HDx 1.0 0.0 5.04 458 346 A 10 GLU H A 9 ARG HDy 1.0 0.0 5.04 459 347 A 10 GLU H A 10 GLU HBx 1.0 0.0 2.89 460 347 A 10 GLU H A 10 GLU HBy 1.0 0.0 2.89 461 348 A 13 LYS H A 11 GLU HBx 1.0 0.0 4.48 462 348 A 13 LYS H A 11 GLU HBy 1.0 0.0 4.48 463 349 A 4 ASP H A 6 LYS HBx 1.0 0.0 5.02 464 349 A 4 ASP H A 6 LYS HBy 1.0 0.0 5.02 465 350 A 11 GLU H A 13 LYS HBy 1.0 0.0 4.61 466 351 A 11 GLU H A 12 ARG HBy 1.0 0.0 4.95 467 352 A 6 LYS H A 6 LYS HBx 1.0 0.0 2.87 468 352 A 6 LYS H A 6 LYS HBy 1.0 0.0 2.87 469 353 A 15 MET H A 14 LYS HBy 1.0 0.0 3.26 470 354 A 14 LYS H A 13 LYS HBx 1.0 0.0 3.38 471 355 A 14 LYS H A 14 LYS HBy 1.0 0.0 3.05 472 356 A 13 LYS H A 13 LYS HBy 1.0 0.0 2.67 473 357 A 6 LYS H A 6 LYS HGx 1.0 0.0 4.53 474 358 A 13 LYS H A 13 LYS HGx 1.0 0.0 4.78 475 359 A 14 LYS H A 14 LYS HGy 1.0 0.0 3.94 476 359 A 14 LYS H A 14 LYS HGx 1.0 0.0 3.94 477 360 A 7 LYS H A 7 LYS HGy 1.0 0.0 4.70 478 361 A 17 LEU H A 17 LEU HBx 1.0 0.0 3.68 479 362 A 5 VAL H A 6 LYS HBx 1.0 0.0 4.55 480 362 A 5 VAL H A 6 LYS HBy 1.0 0.0 4.55 481 363 A 8 TRP HE3 A 12 ARG HBx 1.0 0.0 4.69 482 364 A 16 TRP HD1 A 12 ARG HBy 1.0 0.0 5.21 483 365 A 9 ARG HGx A 8 TRP HD1 1.0 0.0 4.77 484 366 A 8 TRP HD1 A 7 LYS HDx 1.0 0.0 5.50 485 366 A 8 TRP HD1 A 7 LYS HDy 1.0 0.0 5.50 486 367 A 16 TRP HH2 A 17 LEU HG 1.0 0.0 4.67 487 368 A 8 TRP HE3 A 12 ARG HGx 1.0 0.0 4.58 488 368 A 8 TRP HE3 A 12 ARG HGy 1.0 0.0 4.58 489 369 A 9 ARG HGx A 8 TRP HE3 1.0 0.0 5.06 490 370 A 17 LEU HDx% A 18 LEU H 1.0 0.0 4.78 491 371 A 17 LEU HDx% A 14 LYS H 1.0 0.0 5.24 492 372 A 16 TRP HE3 A 20 ILE HD1% 1.0 0.0 4.59 493 373 A 16 TRP HE3 A 17 LEU HDy% 1.0 0.0 5.14 494 374 A 17 LEU HDy% A 16 TRP HZ2 1.0 0.0 5.09 495 375 A 5 VAL HGx% A 8 TRP HH2 1.0 0.0 5.39 496 376 A 16 TRP HH2 A 17 LEU HDy% 1.0 0.0 4.51 497 377 A 16 TRP HH2 A 20 ILE HD1% 1.0 0.0 5.15 498 378 A 20 ILE HD1% A 16 TRP HZ3 1.0 0.0 4.50 499 379 A 16 TRP H A 17 LEU HBy 1.0 0.0 4.85 500 380 A 16 TRP HA A 16 TRP HE3 1.0 0.0 4.05 501 381 A 8 TRP HE3 A 8 TRP HA 1.0 0.0 3.91 502 382 A 16 TRP HA A 16 TRP HD1 1.0 0.0 4.68 503 383 A 5 VAL HA A 8 TRP HBx 1.0 0.0 4.52 504 384 A 7 LYS HA A 10 GLU HGy 1.0 0.0 4.67 505 385 A 9 ARG HA A 12 ARG HBy 1.0 0.0 4.31 506 386 A 5 VAL HA A 6 LYS HBx 1.0 0.0 5.31 507 386 A 5 VAL HA A 6 LYS HBy 1.0 0.0 5.31 508 387 A 16 TRP HBy A 20 ILE HD1% 1.0 0.0 5.11 509 388 A 20 ILE HD1% A 16 TRP HBx 1.0 0.0 5.33 510 389 A 5 VAL HGx% A 8 TRP HBx 1.0 0.0 5.50 511 390 A 5 VAL HGy% A 8 TRP HBx 1.0 0.0 5.50 512 391 A 18 LEU HDx% A 14 LYS HEx 1.0 0.0 5.01 513 391 A 18 LEU HDx% A 14 LYS HEy 1.0 0.0 5.01 514 392 A 9 ARG H A 10 GLU HGy 1.0 0.0 5.16 515 393 A 6 LYS H A 4 ASP HBx 1.0 0.0 5.50 516 393 A 6 LYS H A 4 ASP HBy 1.0 0.0 5.50 517 394 A 8 TRP H A 4 ASP HBx 1.0 0.0 5.50 518 394 A 8 TRP H A 4 ASP HBy 1.0 0.0 5.50 519 395 A 7 LYS H A 4 ASP HBx 1.0 0.0 4.87 520 395 A 7 LYS H A 4 ASP HBy 1.0 0.0 4.87 521 396 A 12 ARG H A 8 TRP HBy 1.0 0.0 4.59 522 397 A 15 MET H A 16 TRP HBx 1.0 0.0 5.28 523 398 A 8 TRP H A 8 TRP HBy 1.0 0.0 3.60 524 399 A 8 TRP H A 8 TRP HBx 1.0 0.0 3.02 525 400 A 16 TRP H A 16 TRP HBy 1.0 0.0 3.70 526 401 A 16 TRP H A 16 TRP HBx 1.0 0.0 3.14 527 402 A 8 TRP HD1 A 8 TRP HBy 1.0 0.0 3.81 528 403 A 14 LYS H A 14 LYS HDx 1.0 0.0 3.51 529 403 A 14 LYS H A 14 LYS HDy 1.0 0.0 3.51 530 404 A 13 LYS H A 12 ARG HGx 1.0 0.0 4.53 531 404 A 13 LYS H A 12 ARG HGy 1.0 0.0 4.53 532 405 A 18 LEU H A 17 LEU HBy 1.0 0.0 3.26 533 406 A 7 LYS H A 7 LYS HGx 1.0 0.0 4.70 534 407 A 9 ARG H A 9 ARG HGy 1.0 0.0 4.03 535 408 A 20 ILE H A 20 ILE HG2% 1.0 0.0 3.91 536 409 A 1 THR HB A 3 GLU HBx 1.0 0.0 4.44 537 409 A 1 THR HB A 3 GLU HBy 1.0 0.0 4.44 538 410 A 1 THR HG2% A 2 ASP HBx 1.0 0.0 5.31 539 410 A 1 THR HG2% A 2 ASP HBy 1.0 0.0 5.31 540 411 A 2 ASP H A 2 ASP HBx 1.0 0.0 3.39 541 411 A 2 ASP H A 2 ASP HBy 1.0 0.0 3.39 542 412 A 3 GLU H A 2 ASP HBx 1.0 0.0 3.61 543 412 A 3 GLU H A 2 ASP HBy 1.0 0.0 3.61 544 413 A 3 GLU HA A 2 ASP HBx 1.0 0.0 5.10 545 413 A 3 GLU HA A 2 ASP HBy 1.0 0.0 5.10 546 414 A 2 ASP HBy A 3 GLU HGx 1.0 0.0 5.07 547 414 A 2 ASP HBx A 3 GLU HGx 1.0 0.0 5.07 548 414 A 3 GLU HGy A 2 ASP HBx 1.0 0.0 5.07 549 414 A 3 GLU HGy A 2 ASP HBy 1.0 0.0 5.07 550 415 A 5 VAL HB A 2 ASP HBx 1.0 0.0 5.26 551 415 A 5 VAL HB A 2 ASP HBy 1.0 0.0 5.26 552 416 A 5 VAL HGy% A 2 ASP HBx 1.0 0.0 4.91 553 416 A 5 VAL HGy% A 2 ASP HBy 1.0 0.0 4.91 554 417 A 6 LYS H A 2 ASP HBx 1.0 0.0 5.34 555 417 A 6 LYS H A 2 ASP HBy 1.0 0.0 5.34 556 418 A 3 GLU H A 3 GLU HBx 1.0 0.0 3.08 557 418 A 3 GLU H A 3 GLU HBy 1.0 0.0 3.08 558 419 A 6 LYS H A 6 LYS HGx 1.0 0.0 3.75 559 419 A 6 LYS H A 6 LYS HGy 1.0 0.0 3.75 560 420 A 6 LYS HA A 6 LYS HGx 1.0 0.0 3.69 561 420 A 6 LYS HA A 6 LYS HGy 1.0 0.0 3.69 562 421 A 7 LYS HA A 7 LYS HGx 1.0 0.0 3.66 563 421 A 7 LYS HA A 7 LYS HGy 1.0 0.0 3.66 564 422 A 11 GLU HA A 11 GLU HGy 1.0 0.0 3.64 565 422 A 11 GLU HA A 11 GLU HGx 1.0 0.0 3.64 566 423 A 12 ARG H A 11 GLU HGy 1.0 0.0 3.98 567 423 A 12 ARG H A 11 GLU HGx 1.0 0.0 3.98 568 424 A 12 ARG HBy A 11 GLU HGy 1.0 0.0 5.14 569 424 A 12 ARG HBy A 11 GLU HGx 1.0 0.0 5.14 570 425 A 11 GLU HGy A 12 ARG HGx 1.0 0.0 4.95 571 425 A 11 GLU HGx A 12 ARG HGx 1.0 0.0 4.95 572 425 A 12 ARG HGy A 11 GLU HGy 1.0 0.0 4.95 573 425 A 12 ARG HGy A 11 GLU HGx 1.0 0.0 4.95 574 426 A 11 GLU HGy A 12 ARG HDx 1.0 0.0 5.23 575 426 A 11 GLU HGx A 12 ARG HDx 1.0 0.0 5.23 576 426 A 12 ARG HDy A 11 GLU HGy 1.0 0.0 5.23 577 426 A 12 ARG HDy A 11 GLU HGx 1.0 0.0 5.23 578 427 A 12 ARG HA A 15 MET HGy 1.0 0.0 4.30 579 427 A 12 ARG HA A 15 MET HGx 1.0 0.0 4.30 580 428 A 12 ARG HBy A 15 MET HGy 1.0 0.0 4.98 581 428 A 12 ARG HBy A 15 MET HGx 1.0 0.0 4.98 582 429 A 12 ARG HGy A 15 MET HGy 1.0 0.0 5.17 583 429 A 12 ARG HGx A 15 MET HGy 1.0 0.0 5.17 584 429 A 15 MET HGx A 12 ARG HGx 1.0 0.0 5.17 585 429 A 12 ARG HGy A 15 MET HGx 1.0 0.0 5.17 586 430 A 13 LYS H A 13 LYS HGx 1.0 0.0 4.16 587 430 A 13 LYS H A 13 LYS HGy 1.0 0.0 4.16 588 431 A 13 LYS H A 15 MET HGy 1.0 0.0 5.08 589 431 A 13 LYS H A 15 MET HGx 1.0 0.0 5.08 590 432 A 16 TRP HD1 A 13 LYS HGx 1.0 0.0 4.57 591 432 A 16 TRP HD1 A 13 LYS HGy 1.0 0.0 4.57 592 433 A 16 TRP HZ2 A 13 LYS HGx 1.0 0.0 4.86 593 433 A 16 TRP HZ2 A 13 LYS HGy 1.0 0.0 4.86 594 434 A 14 LYS HA A 14 LYS HGy 1.0 0.0 3.69 595 434 A 14 LYS HA A 14 LYS HGx 1.0 0.0 3.69 596 435 A 15 MET H A 14 LYS HGy 1.0 0.0 4.44 597 435 A 15 MET H A 14 LYS HGx 1.0 0.0 4.44 598 436 A 16 TRP H A 15 MET HGy 1.0 0.0 4.27 599 436 A 16 TRP H A 15 MET HGx 1.0 0.0 4.27 600 437 A 19 LYS H A 19 LYS HBx 1.0 0.0 2.89 601 437 A 19 LYS H A 19 LYS HBy 1.0 0.0 2.89 602 438 A 20 ILE H A 20 ILE HG1x 1.0 0.0 3.33 603 438 A 20 ILE H A 20 ILE HG1y 1.0 0.0 3.33 604 439 A 21 SER H A 20 ILE HG1x 1.0 0.0 4.77 605 439 A 21 SER H A 20 ILE HG1y 1.0 0.0 4.77 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 GLU N A 3 GLU CA A 3 GLU CB A 3 GLU CG 1.0 -90.0 -30.0 CHI1 2 2 A 4 ASP N A 4 ASP CA A 4 ASP CB A 4 ASP CG 1.0 -90.0 -30.0 CHI1 3 3 A 5 VAL N A 5 VAL CA A 5 VAL CB A 5 VAL CG1 1.0 150.0 210.0 CHI1 4 4 A 20 ILE N A 20 ILE CA A 20 ILE CB A 20 ILE CG1 1.0 -90.0 -30.0 CHI1 5 5 A 1 THR C A 2 ASP N A 2 ASP CA A 2 ASP C 1.0 -75.8 -55.8 PHI 6 6 A 2 ASP C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -75.0 -55.0 PHI 7 7 A 3 GLU C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -70.1 -50.1 PHI 8 8 A 4 ASP C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -74.7 -54.7 PHI 9 9 A 5 VAL C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -69.0 -49.0 PHI 10 10 A 6 LYS C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -69.3 -49.3 PHI 11 11 A 7 LYS C A 8 TRP N A 8 TRP CA A 8 TRP C 1.0 -71.6 -51.6 PHI 12 12 A 8 TRP C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -71.3 -51.3 PHI 13 13 A 9 ARG C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -73.7 -53.7 PHI 14 14 A 10 GLU C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -72.0 -52.0 PHI 15 15 A 11 GLU C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -72.9 -52.9 PHI 16 16 A 12 ARG C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -73.0 -53.0 PHI 17 17 A 13 LYS C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -74.8 -54.8 PHI 18 18 A 14 LYS C A 15 MET N A 15 MET CA A 15 MET C 1.0 -74.3 -54.3 PHI 19 19 A 15 MET C A 16 TRP N A 16 TRP CA A 16 TRP C 1.0 -77.4 -57.4 PHI 20 20 A 16 TRP C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -77.7 -57.7 PHI 21 21 A 17 LEU C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -98.7 -38.7 PHI 22 22 A 18 LEU C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -97.8 -37.8 PHI 23 23 A 19 LYS C A 20 ILE N A 20 ILE CA A 20 ILE C 1.0 -109.9 -29.9 PHI 24 24 A 20 ILE C A 21 SER N A 21 SER CA A 21 SER C 1.0 -106.3 -26.3 PHI 25 25 A 2 ASP N A 2 ASP CA A 2 ASP C A 3 GLU N 1.0 -50.0 -28.0 PSI 26 26 A 3 GLU N A 3 GLU CA A 3 GLU C A 4 ASP N 1.0 -54.3 -32.3 PSI 27 27 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 VAL N 1.0 -51.6 -29.6 PSI 28 28 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 LYS N 1.0 -52.8 -30.8 PSI 29 29 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 LYS N 1.0 -56.3 -34.3 PSI 30 30 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 TRP N 1.0 -56.8 -34.8 PSI 31 31 A 8 TRP N A 8 TRP CA A 8 TRP C A 9 ARG N 1.0 -53.3 -31.3 PSI 32 32 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 GLU N 1.0 -54.5 -32.5 PSI 33 33 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 GLU N 1.0 -52.5 -30.5 PSI 34 34 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 ARG N 1.0 -56.0 -34.0 PSI 35 35 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 LYS N 1.0 -52.5 -30.5 PSI 36 36 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 LYS N 1.0 -52.4 -30.4 PSI 37 37 A 14 LYS N A 14 LYS CA A 14 LYS C A 15 MET N 1.0 -51.9 -29.9 PSI 38 38 A 15 MET N A 15 MET CA A 15 MET C A 16 TRP N 1.0 -50.0 -28.0 PSI 39 39 A 16 TRP N A 16 TRP CA A 16 TRP C A 17 LEU N 1.0 -50.9 -28.9 PSI 40 40 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 LEU N 1.0 -53.2 -31.2 PSI 41 41 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 LYS N 1.0 -73.6 -9.6 PSI 42 42 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 ILE N 1.0 -43.8 20.2 PSI 43 43 A 20 ILE N A 20 ILE CA A 20 ILE C A 21 SER N 1.0 -85.9 -1.9 PSI 44 44 A 21 SER N A 21 SER CA A 21 SER C A 22 ASN N 1.0 -83.8 0.2 PSI stop_ save_