data_nef_c30149_5l1c save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5L1C stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 2 CYS SG 1 19 CYS SG 1 5 CYS SG 1 28 CYS SG 1 16 CYS SG 1 33 CYS SG 1 20 CYS SG 1 35 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 CYS middle -HG . 3 A 3 MET middle . . 4 A 4 PRO middle . false 5 A 5 CYS middle -HG . 6 A 6 PHE middle . . 7 A 7 THR middle . . 8 A 8 THR middle . . 9 A 9 ASP middle . . 10 A 10 HIS middle . . 11 A 11 GLN middle . . 12 A 12 MET middle . . 13 A 13 ALA middle . . 14 A 14 ARG middle . . 15 A 15 LYS middle . . 16 A 16 CYS middle -HG . 17 A 17 ASP middle . . 18 A 18 ASP middle . . 19 A 19 CYS middle -HG . 20 A 20 CYS middle -HG . 21 A 21 GLY middle . false 22 A 22 GLY middle . false 23 A 23 LYS middle . . 24 A 24 GLY middle . false 25 A 25 ARG middle . . 26 A 26 GLY middle . false 27 A 27 LYS middle . . 28 A 28 CYS middle -HG . 29 A 29 TYR middle . . 30 A 30 GLY middle . false 31 A 31 PRO middle . false 32 A 32 GLN middle . . 33 A 33 CYS middle -HG . 34 A 34 LEU middle . . 35 A 35 CYS middle -HG . 36 A 36 ARG end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.103 0.001 A 1 MET HBx H 1 2.132 0.001 A 1 MET HBy H 1 2.132 0.001 A 1 MET HE% H 1 2.031 0.000 A 1 MET HGy H 1 2.373 0.000 A 1 MET HGx H 1 2.096 0.001 A 1 MET C C 13 170.145 0.000 A 1 MET CA C 13 54.842 0.004 A 1 MET CB C 13 33.287 0.000 A 1 MET CE C 13 17.975 0.000 A 1 MET CG C 13 30.085 0.000 A 2 CYS H H 1 9.194 0.000 A 2 CYS HA H 1 4.401 0.000 A 2 CYS HB2 H 1 3.161 0.000 A 2 CYS HB3 H 1 2.820 0.000 A 2 CYS CA C 13 60.820 0.000 A 2 CYS CB C 13 43.568 0.000 A 2 CYS N N 15 123.969 0.001 A 3 MET H H 1 7.560 0.000 A 3 MET HA H 1 4.865 0.000 A 3 MET HB2 H 1 2.300 0.000 A 3 MET HB3 H 1 2.377 0.000 A 3 MET HE% H 1 2.125 0.000 A 3 MET HG2 H 1 2.249 0.001 A 3 MET HG3 H 1 2.530 0.000 A 3 MET CB C 13 30.636 0.000 A 3 MET CE C 13 16.020 0.000 A 3 MET CG C 13 28.874 0.000 A 3 MET N N 15 111.460 0.001 A 4 PRO HA H 1 4.773 0.000 A 4 PRO HBy H 1 2.100 0.000 A 4 PRO HBx H 1 1.142 0.000 A 4 PRO HD2 H 1 3.593 0.000 A 4 PRO HD3 H 1 3.817 0.000 A 4 PRO HGx H 1 1.926 0.000 A 4 PRO HGy H 1 2.048 0.000 A 4 PRO C C 13 174.710 0.000 A 4 PRO CA C 13 62.384 0.000 A 4 PRO CB C 13 31.656 0.000 A 4 PRO CD C 13 50.620 0.000 A 4 PRO CG C 13 27.596 0.000 A 5 CYS H H 1 7.469 0.000 A 5 CYS HA H 1 5.016 0.000 A 5 CYS HB2 H 1 2.850 0.000 A 5 CYS HB3 H 1 3.756 0.000 A 5 CYS C C 13 172.411 0.000 A 5 CYS CA C 13 56.586 0.000 A 5 CYS CB C 13 47.366 0.000 A 5 CYS N N 15 115.552 0.004 A 6 PHE H H 1 8.489 0.000 A 6 PHE HA H 1 4.872 0.000 A 6 PHE HB2 H 1 2.912 0.002 A 6 PHE HB3 H 1 3.198 0.000 A 6 PHE HD1 H 1 7.313 0.004 A 6 PHE HD2 H 1 7.313 0.004 A 6 PHE HE1 H 1 7.314 0.000 A 6 PHE HE2 H 1 7.314 0.000 A 6 PHE HZ H 1 7.299 0.006 A 6 PHE C C 13 175.658 0.000 A 6 PHE CA C 13 56.605 0.000 A 6 PHE CB C 13 40.280 0.000 A 6 PHE CD1 C 13 132.139 0.003 A 6 PHE CE1 C 13 131.515 0.004 A 6 PHE CZ C 13 129.722 0.004 A 6 PHE N N 15 122.790 0.001 A 7 THR H H 1 8.558 0.000 A 7 THR HA H 1 4.235 0.000 A 7 THR HB H 1 4.305 0.001 A 7 THR HG2% H 1 1.248 0.000 A 7 THR C C 13 174.376 0.000 A 7 THR CA C 13 63.951 0.000 A 7 THR CB C 13 68.883 0.000 A 7 THR CG2 C 13 22.023 0.000 A 7 THR N N 15 115.632 0.001 A 8 THR H H 1 7.448 0.000 A 8 THR HA H 1 4.161 0.000 A 8 THR HB H 1 4.399 0.000 A 8 THR HG2% H 1 1.203 0.000 A 8 THR C C 13 172.904 0.000 A 8 THR CA C 13 61.640 0.000 A 8 THR CB C 13 68.815 0.000 A 8 THR CG2 C 13 22.038 0.000 A 8 THR N N 15 108.307 0.006 A 9 ASP H H 1 7.353 0.000 A 9 ASP HA H 1 4.692 0.000 A 9 ASP HBx H 1 2.563 0.000 A 9 ASP HBy H 1 3.219 0.000 A 9 ASP CA C 13 53.017 0.000 A 9 ASP CB C 13 42.097 0.000 A 9 ASP N N 15 121.612 0.009 A 10 HIS HA H 1 4.571 0.001 A 10 HIS HBy H 1 3.373 0.000 A 10 HIS HBx H 1 3.292 0.001 A 10 HIS HD2 H 1 7.292 0.001 A 10 HIS HE1 H 1 8.386 0.000 A 10 HIS C C 13 174.995 0.000 A 10 HIS CA C 13 57.774 0.000 A 10 HIS CB C 13 28.758 0.000 A 10 HIS CD2 C 13 119.770 0.001 A 10 HIS CE1 C 13 137.261 0.000 A 11 GLN H H 1 8.870 0.000 A 11 GLN HA H 1 4.705 0.000 A 11 GLN HB2 H 1 1.847 0.003 A 11 GLN HB3 H 1 2.450 0.000 A 11 GLN HE2x H 1 6.895 0.001 A 11 GLN HE2y H 1 7.623 0.001 A 11 GLN HGy H 1 2.248 0.001 A 11 GLN HGx H 1 2.219 0.000 A 11 GLN C C 13 175.169 0.000 A 11 GLN CA C 13 54.979 0.000 A 11 GLN CB C 13 28.544 0.000 A 11 GLN CG C 13 33.693 0.000 A 11 GLN N N 15 118.341 0.002 A 11 GLN NE2 N 15 112.577 0.001 A 12 MET H H 1 7.491 0.000 A 12 MET HA H 1 4.177 0.000 A 12 MET HB2 H 1 2.500 0.000 A 12 MET HB3 H 1 2.223 0.000 A 12 MET HE% H 1 2.348 0.000 A 12 MET HG2 H 1 2.995 0.000 A 12 MET HG3 H 1 2.320 0.000 A 12 MET C C 13 176.764 0.000 A 12 MET CA C 13 58.344 0.000 A 12 MET CB C 13 34.171 0.000 A 12 MET CE C 13 20.418 0.000 A 12 MET CG C 13 33.394 0.000 A 12 MET N N 15 120.432 0.002 A 13 ALA H H 1 8.599 0.000 A 13 ALA HA H 1 3.904 0.000 A 13 ALA HB% H 1 1.400 0.000 A 13 ALA C C 13 179.734 0.000 A 13 ALA CA C 13 55.320 0.000 A 13 ALA CB C 13 17.596 0.000 A 13 ALA N N 15 120.165 0.008 A 14 ARG H H 1 7.778 0.001 A 14 ARG HA H 1 4.204 0.001 A 14 ARG HBx H 1 1.913 0.001 A 14 ARG HBy H 1 1.913 0.001 A 14 ARG HDy H 1 3.239 0.000 A 14 ARG HDx H 1 3.160 0.001 A 14 ARG HE H 1 7.535 0.000 A 14 ARG HGx H 1 1.723 0.001 A 14 ARG HGy H 1 1.723 0.001 A 14 ARG C C 13 177.182 0.000 A 14 ARG CA C 13 58.671 0.000 A 14 ARG CB C 13 29.318 0.000 A 14 ARG CD C 13 43.187 0.000 A 14 ARG CG C 13 26.421 0.000 A 14 ARG N N 15 120.842 0.004 A 14 ARG NE N 15 113.487 0.000 A 15 LYS H H 1 8.221 0.000 A 15 LYS HA H 1 4.005 0.000 A 15 LYS HB2 H 1 1.881 0.000 A 15 LYS HB3 H 1 1.726 0.000 A 15 LYS HDx H 1 1.621 0.002 A 15 LYS HDy H 1 1.621 0.002 A 15 LYS HE2 H 1 2.866 0.000 A 15 LYS HE3 H 1 2.930 0.000 A 15 LYS HGy H 1 1.601 0.000 A 15 LYS HGx H 1 1.415 0.000 A 15 LYS C C 13 178.459 0.000 A 15 LYS CA C 13 59.949 0.000 A 15 LYS CB C 13 33.122 0.000 A 15 LYS CD C 13 29.660 0.000 A 15 LYS CE C 13 42.181 0.000 A 15 LYS CG C 13 26.457 0.000 A 15 LYS N N 15 118.858 0.003 A 16 CYS H H 1 8.399 0.000 A 16 CYS HA H 1 4.689 0.000 A 16 CYS HB2 H 1 2.939 0.001 A 16 CYS HB3 H 1 2.810 0.001 A 16 CYS C C 13 174.557 0.000 A 16 CYS CA C 13 56.670 0.000 A 16 CYS CB C 13 35.721 0.000 A 16 CYS N N 15 118.785 0.000 A 17 ASP H H 1 7.764 0.000 A 17 ASP HA H 1 4.195 0.000 A 17 ASP HB2 H 1 2.864 0.000 A 17 ASP HB3 H 1 2.674 0.000 A 17 ASP C C 13 178.395 0.000 A 17 ASP CA C 13 58.201 0.000 A 17 ASP CB C 13 40.026 0.000 A 17 ASP N N 15 121.957 0.006 A 18 ASP H H 1 8.606 0.000 A 18 ASP HA H 1 4.178 0.000 A 18 ASP HB2 H 1 2.732 0.000 A 18 ASP HB3 H 1 2.583 0.000 A 18 ASP C C 13 179.016 0.000 A 18 ASP CA C 13 57.589 0.000 A 18 ASP CB C 13 39.671 0.000 A 18 ASP N N 15 119.621 0.008 A 19 CYS H H 1 8.186 0.000 A 19 CYS HA H 1 4.056 0.001 A 19 CYS HB2 H 1 3.348 0.000 A 19 CYS HB3 H 1 3.784 0.000 A 19 CYS C C 13 176.296 0.000 A 19 CYS CA C 13 61.187 0.000 A 19 CYS CB C 13 40.635 0.000 A 19 CYS N N 15 122.057 0.001 A 20 CYS H H 1 7.616 0.000 A 20 CYS HA H 1 4.637 0.000 A 20 CYS HBy H 1 3.136 0.000 A 20 CYS HBx H 1 2.538 0.000 A 20 CYS C C 13 173.771 0.000 A 20 CYS CA C 13 54.599 0.001 A 20 CYS CB C 13 38.849 0.000 A 20 CYS N N 15 115.946 0.005 A 21 GLY H H 1 7.807 0.001 A 21 GLY HAy H 1 4.415 0.000 A 21 GLY HAx H 1 3.797 0.000 A 21 GLY C C 13 173.667 0.000 A 21 GLY CA C 13 45.534 0.000 A 21 GLY N N 15 107.835 0.004 A 22 GLY H H 1 8.373 0.001 A 22 GLY HAy H 1 4.344 0.000 A 22 GLY HAx H 1 3.775 0.000 A 22 GLY C C 13 171.025 0.000 A 22 GLY CA C 13 44.794 0.000 A 22 GLY N N 15 109.873 0.009 A 23 LYS H H 1 8.174 0.000 A 23 LYS HA H 1 4.076 0.000 A 23 LYS HBy H 1 1.758 0.000 A 23 LYS HBx H 1 1.724 0.000 A 23 LYS HDx H 1 1.675 0.000 A 23 LYS HDy H 1 1.675 0.000 A 23 LYS HEx H 1 2.980 0.000 A 23 LYS HEy H 1 2.980 0.000 A 23 LYS HGy H 1 1.440 0.000 A 23 LYS HGx H 1 1.351 0.000 A 23 LYS C C 13 177.426 0.000 A 23 LYS CA C 13 57.453 0.000 A 23 LYS CB C 13 32.102 0.000 A 23 LYS CD C 13 29.192 0.001 A 23 LYS CE C 13 42.162 0.000 A 23 LYS CG C 13 24.502 0.000 A 23 LYS N N 15 118.894 0.000 A 24 GLY H H 1 9.178 0.000 A 24 GLY HAx H 1 4.045 0.000 A 24 GLY HAy H 1 4.045 0.000 A 24 GLY C C 13 174.478 0.000 A 24 GLY CA C 13 45.913 0.000 A 24 GLY N N 15 114.854 0.005 A 25 ARG H H 1 7.844 0.000 A 25 ARG HA H 1 4.202 0.000 A 25 ARG HB2 H 1 1.744 0.000 A 25 ARG HB3 H 1 1.958 0.000 A 25 ARG HDx H 1 2.994 0.000 A 25 ARG HDy H 1 2.994 0.000 A 25 ARG HE H 1 7.392 0.000 A 25 ARG HG2 H 1 1.267 0.000 A 25 ARG HG3 H 1 1.313 0.000 A 25 ARG C C 13 174.604 0.000 A 25 ARG CA C 13 56.945 0.000 A 25 ARG CB C 13 30.654 0.000 A 25 ARG CD C 13 42.201 0.000 A 25 ARG CG C 13 27.467 0.001 A 25 ARG N N 15 118.170 0.008 A 25 ARG NE N 15 112.117 0.008 A 26 GLY H H 1 8.856 0.000 A 26 GLY HA2 H 1 5.202 0.000 A 26 GLY HA3 H 1 3.564 0.000 A 26 GLY C C 13 171.549 0.000 A 26 GLY CA C 13 45.510 0.000 A 26 GLY N N 15 108.284 0.001 A 27 LYS H H 1 8.550 0.000 A 27 LYS HA H 1 4.348 0.000 A 27 LYS HBx H 1 1.623 0.000 A 27 LYS HBy H 1 1.623 0.000 A 27 LYS HDy H 1 1.519 0.000 A 27 LYS HDx H 1 1.460 0.000 A 27 LYS HEx H 1 2.707 0.000 A 27 LYS HEy H 1 2.707 0.000 A 27 LYS HGy H 1 1.136 0.000 A 27 LYS HGx H 1 0.880 0.000 A 27 LYS C C 13 173.968 0.000 A 27 LYS CA C 13 55.583 0.000 A 27 LYS CB C 13 36.457 0.000 A 27 LYS CD C 13 28.963 0.000 A 27 LYS CE C 13 42.228 0.000 A 27 LYS CG C 13 24.805 0.000 A 27 LYS N N 15 123.064 0.002 A 28 CYS H H 1 8.701 0.000 A 28 CYS HA H 1 5.167 0.000 A 28 CYS HBy H 1 2.910 0.000 A 28 CYS HBx H 1 2.835 0.000 A 28 CYS C C 13 173.765 0.000 A 28 CYS CA C 13 55.135 0.000 A 28 CYS CB C 13 41.167 0.000 A 28 CYS N N 15 123.061 0.004 A 29 TYR H H 1 9.425 0.000 A 29 TYR HA H 1 4.571 0.000 A 29 TYR HB2 H 1 2.957 0.003 A 29 TYR HB3 H 1 2.854 0.000 A 29 TYR HD1 H 1 7.193 0.000 A 29 TYR HD2 H 1 7.193 0.000 A 29 TYR HE1 H 1 6.821 0.000 A 29 TYR HE2 H 1 6.821 0.000 A 29 TYR C C 13 175.322 0.000 A 29 TYR CA C 13 56.673 0.001 A 29 TYR CB C 13 37.919 0.000 A 29 TYR CD1 C 13 133.930 0.002 A 29 TYR CE1 C 13 118.129 0.002 A 29 TYR N N 15 128.377 0.007 A 30 GLY H H 1 8.768 0.000 A 30 GLY HAx H 1 3.484 0.001 A 30 GLY HAy H 1 4.214 0.001 A 30 GLY CA C 13 44.891 0.004 A 30 GLY N N 15 117.293 0.010 A 31 PRO HA H 1 4.879 0.000 A 31 PRO HBy H 1 2.234 0.000 A 31 PRO HBx H 1 2.191 0.000 A 31 PRO HD2 H 1 3.991 0.000 A 31 PRO HD3 H 1 3.736 0.000 A 31 PRO HGx H 1 1.810 0.000 A 31 PRO HGy H 1 2.096 0.000 A 31 PRO C C 13 176.048 0.000 A 31 PRO CA C 13 63.684 0.000 A 31 PRO CB C 13 32.152 0.000 A 31 PRO CD C 13 50.509 0.000 A 31 PRO CG C 13 26.441 0.000 A 32 GLN H H 1 7.704 0.000 A 32 GLN HA H 1 4.765 0.000 A 32 GLN HB2 H 1 1.880 0.000 A 32 GLN HB3 H 1 2.191 0.000 A 32 GLN HE2x H 1 6.858 0.001 A 32 GLN HE2y H 1 7.531 0.000 A 32 GLN HGx H 1 2.321 0.000 A 32 GLN HGy H 1 2.321 0.000 A 32 GLN C C 13 172.174 0.000 A 32 GLN CA C 13 56.462 0.000 A 32 GLN CB C 13 32.231 0.000 A 32 GLN CG C 13 33.781 0.000 A 32 GLN N N 15 121.573 0.007 A 32 GLN NE2 N 15 111.018 0.008 A 33 CYS H H 1 8.484 0.000 A 33 CYS HA H 1 4.955 0.000 A 33 CYS HB2 H 1 2.925 0.000 A 33 CYS HB3 H 1 3.093 0.000 A 33 CYS C C 13 172.203 0.000 A 33 CYS CA C 13 56.245 0.000 A 33 CYS CB C 13 37.994 0.000 A 33 CYS N N 15 123.359 0.004 A 34 LEU H H 1 9.102 0.000 A 34 LEU HA H 1 5.058 0.000 A 34 LEU HB2 H 1 1.948 0.001 A 34 LEU HB3 H 1 1.461 0.000 A 34 LEU HD1% H 1 0.688 0.000 A 34 LEU HD2% H 1 0.879 0.002 A 34 LEU HG H 1 1.704 0.000 A 34 LEU C C 13 175.471 0.000 A 34 LEU CA C 13 53.129 0.000 A 34 LEU CB C 13 43.408 0.000 A 34 LEU CD1 C 13 24.743 0.000 A 34 LEU CD2 C 13 23.190 0.000 A 34 LEU CG C 13 27.015 0.000 A 34 LEU N N 15 131.284 0.004 A 35 CYS H H 1 8.802 0.000 A 35 CYS HA H 1 5.597 0.000 A 35 CYS HBy H 1 3.512 0.000 A 35 CYS HBx H 1 2.666 0.000 A 35 CYS C C 13 174.432 0.000 A 35 CYS CA C 13 52.184 0.000 A 35 CYS CB C 13 35.312 0.000 A 35 CYS N N 15 121.178 0.001 A 36 ARG H H 1 8.603 0.000 A 36 ARG HA H 1 4.181 0.000 A 36 ARG HBy H 1 1.838 0.000 A 36 ARG HBx H 1 1.744 0.000 A 36 ARG HDx H 1 3.158 0.000 A 36 ARG HDy H 1 3.158 0.000 A 36 ARG HE H 1 6.992 0.000 A 36 ARG HGy H 1 1.596 0.000 A 36 ARG HGx H 1 1.552 0.000 A 36 ARG CA C 13 57.974 0.000 A 36 ARG CB C 13 31.465 0.000 A 36 ARG CD C 13 43.262 0.000 A 36 ARG CG C 13 27.226 0.000 A 36 ARG N N 15 128.659 0.008 A 36 ARG NE N 15 112.981 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 H A 32 GLN HA 1.0 . 3.92 2 2 A 5 CYS H A 4 PRO HBy 1.0 . 4.26 3 3 A 5 CYS H A 4 PRO HBx 1.0 . 4.26 4 4 A 5 CYS H A 33 CYS HA 1.0 . 4.66 5 5 A 5 CYS H A 33 CYS H 1.0 . 4.49 6 6 A 11 GLN H A 12 MET HB2 1.0 . 4.61 7 7 A 11 GLN H A 11 GLN HGy 1.0 . 4.41 8 8 A 11 GLN H A 11 GLN HB2 1.0 . 3.80 9 9 A 31 PRO HD2 A 32 GLN H 1.0 . 4.05 10 10 A 32 GLN H A 5 CYS HB3 1.0 . 4.28 11 11 A 32 GLN H A 5 CYS HB2 1.0 . 4.81 12 12 A 32 GLN H A 32 GLN HB3 1.0 . 3.92 13 13 A 32 GLN H A 32 GLN HB2 1.0 . 3.79 14 14 A 33 CYS HA A 34 LEU H 1.0 . 2.89 15 15 A 34 LEU H A 33 CYS HB2 1.0 . 4.53 16 16 A 34 LEU H A 34 LEU HG 1.0 . 3.73 17 17 A 34 LEU H A 34 LEU HB3 1.0 . 4.00 18 18 A 34 LEU H A 34 LEU HD2% 1.0 . 4.53 19 19 A 34 LEU H A 34 LEU HD1% 1.0 . 4.67 20 20 A 34 LEU H A 35 CYS H 1.0 . 5.02 21 21 A 34 LEU H A 29 TYR HD% 1.0 . 4.21 22 22 A 34 LEU H A 29 TYR HE% 1.0 . 5.50 23 23 A 32 GLN HA A 33 CYS H 1.0 . 3.42 24 24 A 33 CYS H A 33 CYS HB3 1.0 . 3.41 25 25 A 33 CYS H A 33 CYS HB2 1.0 . 3.76 26 26 A 33 CYS H A 32 GLN HGx 1.0 . 4.44 27 26 A 33 CYS H A 32 GLN HGy 1.0 . 4.44 28 27 A 33 CYS H A 32 GLN HB3 1.0 . 3.77 29 28 A 33 CYS H A 32 GLN HB2 1.0 . 4.28 30 29 A 33 CYS H A 3 MET H 1.0 . 4.59 31 30 A 34 LEU HG A 29 TYR H 1.0 . 4.90 32 31 A 29 TYR H A 28 CYS H 1.0 . 4.65 33 32 A 29 TYR HD% A 29 TYR H 1.0 . 3.78 34 33 A 29 TYR H A 28 CYS HA 1.0 . 2.84 35 34 A 36 ARG H A 35 CYS HBy 1.0 . 4.40 36 35 A 36 ARG H A 36 ARG HDx 1.0 . 4.53 37 35 A 36 ARG H A 36 ARG HDy 1.0 . 4.53 38 36 A 36 ARG H A 35 CYS HBx 1.0 . 4.40 39 37 A 36 ARG H A 36 ARG HBx 1.0 . 3.73 40 38 A 36 ARG H A 36 ARG HGx 1.0 . 3.61 41 39 A 36 ARG H A 35 CYS HA 1.0 . 2.99 42 40 A 36 ARG H A 26 GLY HA2 1.0 . 4.23 43 41 A 6 PHE HB3 A 9 ASP H 1.0 . 3.78 44 42 A 9 ASP H A 8 THR HG2% 1.0 . 5.17 45 43 A 28 CYS H A 27 LYS HA 1.0 . 2.76 46 44 A 28 CYS H A 28 CYS HBx 1.0 . 3.13 47 45 A 28 CYS H A 27 LYS HBx 1.0 . 3.72 48 45 A 28 CYS H A 27 LYS HBy 1.0 . 3.72 49 46 A 28 CYS H A 27 LYS HGy 1.0 . 4.52 50 47 A 28 CYS H A 27 LYS HGx 1.0 . 4.52 51 48 A 28 CYS H A 13 ALA HB% 1.0 . 5.21 52 49 A 32 GLN HE2x A 32 GLN HGx 1.0 . 4.08 53 49 A 32 GLN HGy A 32 GLN HE2x 1.0 . 4.08 54 50 A 2 CYS H A 2 CYS HB2 1.0 . 3.97 55 51 A 2 CYS H A 2 CYS HB3 1.0 . 4.10 56 52 A 2 CYS H A 1 MET HBx 1.0 . 4.04 57 52 A 2 CYS H A 1 MET HBy 1.0 . 4.04 58 53 A 3 MET H A 2 CYS H 1.0 . 4.23 59 54 A 26 GLY HA3 A 27 LYS H 1.0 . 3.46 60 55 A 27 LYS H A 27 LYS HBx 1.0 . 3.32 61 55 A 27 LYS HBy A 27 LYS H 1.0 . 3.32 62 56 A 35 CYS HA A 27 LYS H 1.0 . 4.36 63 57 A 26 GLY HA2 A 27 LYS H 1.0 . 3.00 64 58 A 34 LEU H A 27 LYS H 1.0 . 4.31 65 59 A 29 TYR HA A 30 GLY H 1.0 . 2.88 66 60 A 30 GLY H A 29 TYR HB3 1.0 . 4.16 67 61 A 22 GLY H A 25 ARG HDx 1.0 . 4.57 68 61 A 22 GLY H A 25 ARG HDy 1.0 . 4.57 69 62 A 22 GLY H A 17 ASP HB3 1.0 . 4.91 70 63 A 22 GLY H A 25 ARG HB3 1.0 . 4.42 71 64 A 22 GLY H A 25 ARG HB2 1.0 . 3.73 72 65 A 22 GLY H A 25 ARG HG3 1.0 . 4.29 73 66 A 22 GLY H A 21 GLY H 1.0 . 3.29 74 67 A 15 LYS H A 15 LYS HE2 1.0 . 4.56 75 68 A 15 LYS H A 15 LYS HGx 1.0 . 4.01 76 69 A 15 LYS H A 12 MET HE% 1.0 . 4.44 77 70 A 15 LYS H A 15 LYS HB2 1.0 . 2.95 78 71 A 15 LYS H A 15 LYS HDx 1.0 . 4.49 79 71 A 15 LYS H A 15 LYS HDy 1.0 . 4.49 80 72 A 15 LYS H A 14 ARG H 1.0 . 3.45 81 73 A 6 PHE HB3 A 6 PHE H 1.0 . 4.10 82 74 A 6 PHE H A 12 MET HG2 1.0 . 3.34 83 75 A 6 PHE H A 12 MET HG3 1.0 . 4.05 84 76 A 6 PHE H A 5 CYS HA 1.0 . 3.07 85 77 A 17 ASP HA A 20 CYS H 1.0 . 3.97 86 78 A 20 CYS H A 19 CYS HB3 1.0 . 3.26 87 79 A 26 GLY HA3 A 20 CYS H 1.0 . 5.15 88 80 A 20 CYS H A 19 CYS HB2 1.0 . 4.02 89 81 A 20 CYS H A 20 CYS HBy 1.0 . 3.78 90 82 A 20 CYS H A 17 ASP HB2 1.0 . 5.50 91 83 A 20 CYS H A 20 CYS HBx 1.0 . 3.78 92 84 A 20 CYS H A 19 CYS H 1.0 . 3.44 93 85 A 21 GLY H A 18 ASP HA 1.0 . 4.39 94 86 A 21 GLY H A 20 CYS HBx 1.0 . 5.11 95 87 A 13 ALA HA A 17 ASP H 1.0 . 4.66 96 88 A 17 ASP HB2 A 17 ASP H 1.0 . 2.77 97 89 A 17 ASP HB3 A 17 ASP H 1.0 . 3.60 98 90 A 13 ALA HB% A 17 ASP H 1.0 . 4.63 99 91 A 15 LYS HB2 A 17 ASP H 1.0 . 5.50 100 92 A 17 ASP H A 18 ASP H 1.0 . 3.44 101 93 A 17 ASP H A 16 CYS H 1.0 . 3.41 102 94 A 7 THR H A 8 THR H 1.0 . 4.63 103 95 A 24 GLY H A 23 LYS HGx 1.0 . 4.68 104 96 A 35 CYS H A 34 LEU HB2 1.0 . 4.43 105 97 A 35 CYS H A 1 MET HA 1.0 . 5.02 106 98 A 35 CYS H A 27 LYS HBx 1.0 . 5.50 107 98 A 35 CYS H A 27 LYS HBy 1.0 . 5.50 108 99 A 34 LEU HB3 A 35 CYS H 1.0 . 3.73 109 100 A 34 LEU HD2% A 35 CYS H 1.0 . 4.14 110 101 A 35 CYS H A 34 LEU HA 1.0 . 2.80 111 102 A 16 CYS H A 16 CYS HB3 1.0 . 3.67 112 103 A 12 MET HE% A 16 CYS H 1.0 . 5.50 113 104 A 15 LYS HB2 A 16 CYS H 1.0 . 4.13 114 105 A 13 ALA HA A 16 CYS H 1.0 . 4.65 115 106 A 14 ARG H A 14 ARG HGx 1.0 . 4.13 116 106 A 14 ARG H A 14 ARG HGy 1.0 . 4.13 117 107 A 14 ARG H A 14 ARG HBx 1.0 . 3.03 118 107 A 14 ARG H A 14 ARG HBy 1.0 . 3.03 119 108 A 13 ALA HB% A 14 ARG H 1.0 . 3.58 120 109 A 23 LYS H A 22 GLY HAy 1.0 . 3.29 121 110 A 23 LYS H A 22 GLY HAx 1.0 . 3.29 122 111 A 23 LYS H A 23 LYS HBx 1.0 . 2.96 123 112 A 23 LYS H A 23 LYS HGy 1.0 . 4.79 124 113 A 19 CYS H A 16 CYS HA 1.0 . 4.38 125 114 A 19 CYS HB2 A 19 CYS H 1.0 . 3.19 126 115 A 19 CYS H A 18 ASP HB2 1.0 . 3.82 127 116 A 19 CYS H A 18 ASP H 1.0 . 3.68 128 117 A 12 MET HB2 A 12 MET H 1.0 . 3.40 129 118 A 12 MET H A 12 MET HB3 1.0 . 3.56 130 119 A 11 GLN H A 12 MET H 1.0 . 3.49 131 120 A 12 MET H A 13 ALA H 1.0 . 4.07 132 121 A 32 GLN HE2y A 32 GLN HGx 1.0 . 4.08 133 121 A 32 GLN HGy A 32 GLN HE2y 1.0 . 4.08 134 122 A 8 THR H A 7 THR HB 1.0 . 4.64 135 123 A 6 PHE HB3 A 8 THR H 1.0 . 4.39 136 124 A 26 GLY H A 24 GLY HAx 1.0 . 5.23 137 124 A 24 GLY HAy A 26 GLY H 1.0 . 5.23 138 125 A 26 GLY H A 20 CYS HBx 1.0 . 5.50 139 126 A 25 ARG HB3 A 26 GLY H 1.0 . 4.80 140 127 A 25 ARG HB2 A 26 GLY H 1.0 . 4.33 141 128 A 26 GLY H A 25 ARG HG2 1.0 . 5.21 142 129 A 23 LYS HA A 25 ARG H 1.0 . 3.75 143 130 A 25 ARG HB2 A 25 ARG H 1.0 . 3.41 144 131 A 25 ARG HG3 A 25 ARG H 1.0 . 3.46 145 132 A 24 GLY H A 25 ARG H 1.0 . 3.87 146 133 A 26 GLY H A 25 ARG H 1.0 . 4.63 147 134 A 12 MET HB2 A 13 ALA H 1.0 . 4.54 148 135 A 13 ALA HB% A 13 ALA H 1.0 . 3.03 149 136 A 14 ARG H A 13 ALA H 1.0 . 3.66 150 137 A 17 ASP HB3 A 18 ASP H 1.0 . 3.90 151 138 A 18 ASP H A 23 LYS HA 1.0 . 4.73 152 139 A 15 LYS H A 18 ASP H 1.0 . 5.00 153 140 A 19 CYS H A 18 ASP HB3 1.0 . 3.88 154 141 A 23 LYS H A 23 LYS HBy 1.0 . 2.96 155 142 A 17 ASP HB3 A 25 ARG H 1.0 . 4.74 156 143 A 32 GLN H A 32 GLN HGx 1.0 . 3.49 157 143 A 32 GLN H A 32 GLN HGy 1.0 . 3.49 158 144 A 11 GLN H A 12 MET HA 1.0 . 5.41 159 145 A 11 GLN H A 11 GLN HB3 1.0 . 4.19 160 146 A 11 GLN H A 11 GLN HGx 1.0 . 4.41 161 147 A 9 ASP H A 6 PHE HB2 1.0 . 4.74 162 148 A 8 THR H A 6 PHE HD% 1.0 . 4.58 163 149 A 6 PHE H A 6 PHE HD% 1.0 . 4.44 164 150 A 6 PHE H A 6 PHE HB2 1.0 . 3.35 165 151 A 5 CYS HB2 A 6 PHE H 1.0 . 4.05 166 152 A 5 CYS H A 5 CYS HB3 1.0 . 3.77 167 153 A 5 CYS H A 32 GLN HB3 1.0 . 4.69 168 154 A 5 CYS H A 31 PRO HA 1.0 . 4.16 169 155 A 5 CYS H A 33 CYS HB2 1.0 . 4.37 170 156 A 5 CYS H A 1 MET HE% 1.0 . 5.39 171 157 A 36 ARG H A 26 GLY HA3 1.0 . 3.86 172 158 A 36 ARG H A 36 ARG HBy 1.0 . 3.73 173 159 A 36 ARG H A 36 ARG HGy 1.0 . 3.61 174 160 A 34 LEU H A 28 CYS HA 1.0 . 3.89 175 161 A 34 LEU H A 29 TYR HB2 1.0 . 4.31 176 162 A 5 CYS HB2 A 34 LEU H 1.0 . 5.07 177 163 A 34 LEU H A 27 LYS HBx 1.0 . 4.22 178 163 A 34 LEU H A 27 LYS HBy 1.0 . 4.22 179 164 A 34 LEU H A 34 LEU HB2 1.0 . 3.36 180 165 A 3 MET H A 1 MET HBx 1.0 . 4.77 181 165 A 3 MET H A 1 MET HBy 1.0 . 4.77 182 166 A 3 MET H A 2 CYS HB2 1.0 . 4.35 183 167 A 30 GLY H A 29 TYR HB2 1.0 . 4.71 184 168 A 29 TYR H A 29 TYR HB2 1.0 . 3.31 185 169 A 29 TYR H A 30 GLY H 1.0 . 4.43 186 170 A 28 CYS H A 28 CYS HBy 1.0 . 3.13 187 171 A 25 ARG HG3 A 26 GLY H 1.0 . 5.50 188 172 A 26 GLY H A 20 CYS HBy 1.0 . 5.50 189 173 A 26 GLY H A 36 ARG HDx 1.0 . 5.50 190 173 A 36 ARG HDy A 26 GLY H 1.0 . 5.50 191 174 A 26 GLY H A 25 ARG HA 1.0 . 3.35 192 175 A 25 ARG HG2 A 25 ARG H 1.0 . 3.57 193 176 A 24 GLY H A 23 LYS HGy 1.0 . 4.68 194 177 A 23 LYS H A 23 LYS HGx 1.0 . 4.79 195 178 A 22 GLY H A 18 ASP HA 1.0 . 4.20 196 179 A 19 CYS H A 15 LYS HA 1.0 . 4.08 197 180 A 19 CYS HB3 A 19 CYS H 1.0 . 3.27 198 181 A 19 CYS H A 15 LYS HB3 1.0 . 5.50 199 182 A 19 CYS H A 20 CYS HA 1.0 . 5.49 200 183 A 18 ASP H A 15 LYS HA 1.0 . 4.41 201 184 A 18 ASP H A 18 ASP HB2 1.0 . 3.28 202 185 A 17 ASP HB2 A 18 ASP H 1.0 . 3.71 203 186 A 18 ASP H A 18 ASP HB3 1.0 . 3.93 204 187 A 18 ASP H A 14 ARG HGx 1.0 . 5.50 205 187 A 18 ASP H A 14 ARG HGy 1.0 . 5.50 206 188 A 18 ASP H A 15 LYS HB3 1.0 . 5.50 207 189 A 17 ASP H A 14 ARG HBx 1.0 . 5.50 208 189 A 17 ASP H A 14 ARG HBy 1.0 . 5.50 209 190 A 17 ASP H A 16 CYS HB3 1.0 . 2.89 210 191 A 17 ASP H A 15 LYS HA 1.0 . 4.83 211 192 A 12 MET HG3 A 16 CYS H 1.0 . 4.87 212 193 A 15 LYS HE2 A 16 CYS H 1.0 . 4.62 213 194 A 15 LYS H A 16 CYS H 1.0 . 3.94 214 195 A 15 LYS H A 12 MET HA 1.0 . 4.07 215 196 A 15 LYS H A 15 LYS HE3 1.0 . 4.57 216 197 A 15 LYS H A 16 CYS HB3 1.0 . 4.84 217 198 A 15 LYS H A 14 ARG HGx 1.0 . 4.24 218 198 A 15 LYS H A 14 ARG HGy 1.0 . 4.24 219 199 A 15 LYS H A 14 ARG HBx 1.0 . 2.95 220 199 A 15 LYS H A 14 ARG HBy 1.0 . 2.95 221 200 A 12 MET HB3 A 13 ALA H 1.0 . 3.51 222 201 A 29 TYR HE% A 27 LYS HDx 1.0 . 3.63 223 202 A 6 PHE HD% A 6 PHE HA 1.0 . 4.59 224 203 A 29 TYR HD% A 29 TYR HA 1.0 . 4.00 225 204 A 29 TYR HD% A 34 LEU HB2 1.0 . 3.55 226 205 A 34 LEU HD1% A 29 TYR HD% 1.0 . 3.67 227 206 A 34 LEU HB3 A 29 TYR HD% 1.0 . 3.71 228 207 A 29 TYR HE% A 34 LEU HB2 1.0 . 3.88 229 208 A 34 LEU HD2% A 29 TYR HD% 1.0 . 4.50 230 209 A 29 TYR HD% A 34 LEU HA 1.0 . 5.03 231 210 A 29 TYR HD% A 28 CYS HA 1.0 . 4.75 232 211 A 34 LEU HG A 29 TYR HD% 1.0 . 3.56 233 212 A 29 TYR HE% A 27 LYS HDy 1.0 . 3.63 234 213 A 29 TYR HD% A 27 LYS HBx 1.0 . 3.63 235 213 A 29 TYR HD% A 27 LYS HBy 1.0 . 3.63 236 214 A 29 TYR HE% A 27 LYS HBx 1.0 . 3.23 237 214 A 29 TYR HE% A 27 LYS HBy 1.0 . 3.23 238 215 A 18 ASP HB3 A 15 LYS HA 1.0 . 4.29 239 216 A 25 ARG HB3 A 20 CYS HBx 1.0 . 4.17 240 217 A 25 ARG HB2 A 20 CYS HBx 1.0 . 3.95 241 218 A 17 ASP HA A 20 CYS HBx 1.0 . 4.55 242 219 A 35 CYS HA A 20 CYS HBx 1.0 . 4.95 243 220 A 5 CYS HB2 A 12 MET HG3 1.0 . 5.09 244 221 A 5 CYS HB2 A 12 MET HE% 1.0 . 5.39 245 222 A 5 CYS HB2 A 6 PHE HA 1.0 . 5.50 246 223 A 5 CYS HB2 A 31 PRO HA 1.0 . 5.50 247 224 A 33 CYS H A 5 CYS HB2 1.0 . 5.02 248 225 A 34 LEU HD1% A 29 TYR HB2 1.0 . 3.86 249 226 A 33 CYS HB2 A 3 MET H 1.0 . 4.37 250 227 A 28 CYS HA A 29 TYR HB2 1.0 . 4.91 251 228 A 6 PHE HB3 A 8 THR HG2% 1.0 . 4.86 252 229 A 34 LEU HB3 A 29 TYR HE% 1.0 . 5.23 253 230 A 32 GLN HA A 32 GLN HGx 1.0 . 3.56 254 230 A 32 GLN HA A 32 GLN HGy 1.0 . 3.56 255 231 A 6 PHE HA A 7 THR HA 1.0 . 4.66 256 232 A 29 TYR H A 29 TYR HB3 1.0 . 3.89 257 233 A 32 GLN HB3 A 34 LEU HD2% 1.0 . 4.48 258 234 A 5 CYS HB3 A 28 CYS HBy 1.0 . 5.26 259 235 A 29 TYR H A 28 CYS HBy 1.0 . 4.79 260 236 A 15 LYS HE2 A 15 LYS HGx 1.0 . 3.89 261 237 A 12 MET HB3 A 9 ASP HA 1.0 . 5.18 262 238 A 11 GLN H A 12 MET HB3 1.0 . 5.10 263 239 A 6 PHE HE% A 4 PRO HGx 1.0 . 4.80 264 240 A 13 ALA HB% A 16 CYS HB2 1.0 . 5.04 265 241 A 12 MET HE% A 16 CYS HB2 1.0 . 4.94 266 242 A 13 ALA HA A 16 CYS HB2 1.0 . 4.53 267 243 A 17 ASP H A 16 CYS HB2 1.0 . 4.57 268 244 A 16 CYS H A 16 CYS HB2 1.0 . 3.82 269 245 A 14 ARG HBy A 14 ARG HDy 1.0 . 4.04 270 245 A 14 ARG HDy A 14 ARG HBx 1.0 . 4.04 271 246 A 26 GLY HA3 A 17 ASP HA 1.0 . 3.81 272 247 A 12 MET HE% A 16 CYS HA 1.0 . 4.99 273 248 A 34 LEU HD2% A 34 LEU HB2 1.0 . 4.23 274 249 A 17 ASP HB2 A 23 LYS HA 1.0 . 4.54 275 250 A 17 ASP HB3 A 23 LYS HA 1.0 . 3.89 276 251 A 23 LYS HA A 23 LYS HGy 1.0 . 3.81 277 252 A 24 GLY H A 23 LYS HA 1.0 . 3.11 278 253 A 19 CYS HB2 A 3 MET HB2 1.0 . 4.67 279 254 A 19 CYS HB2 A 20 CYS HA 1.0 . 5.50 280 255 A 17 ASP HB3 A 25 ARG HB2 1.0 . 4.73 281 256 A 25 ARG HG3 A 22 GLY HAy 1.0 . 5.09 282 257 A 15 LYS HB2 A 12 MET HA 1.0 . 3.94 283 258 A 5 CYS HB3 A 6 PHE HA 1.0 . 4.82 284 259 A 5 CYS HB3 A 31 PRO HA 1.0 . 5.10 285 260 A 13 ALA HA A 16 CYS HB3 1.0 . 4.07 286 261 A 25 ARG HB3 A 25 ARG HDx 1.0 . 3.74 287 261 A 25 ARG HDy A 25 ARG HB3 1.0 . 3.74 288 262 A 23 LYS HEy A 23 LYS HBx 1.0 . 4.16 289 262 A 23 LYS HBx A 23 LYS HEx 1.0 . 4.16 290 263 A 25 ARG HG3 A 24 GLY HAx 1.0 . 4.63 291 263 A 25 ARG HG3 A 24 GLY HAy 1.0 . 4.63 292 264 A 32 GLN HA A 5 CYS HB2 1.0 . 4.45 293 265 A 33 CYS HB3 A 3 MET HG2 1.0 . 3.76 294 266 A 33 CYS HB3 A 3 MET H 1.0 . 3.74 295 267 A 18 ASP HB2 A 15 LYS HA 1.0 . 3.70 296 268 A 15 LYS HA A 15 LYS HGy 1.0 . 3.57 297 269 A 15 LYS HA A 15 LYS HGx 1.0 . 3.57 298 270 A 12 MET HG3 A 5 CYS HA 1.0 . 4.34 299 271 A 34 LEU HD2% A 32 GLN HGx 1.0 . 4.49 300 271 A 34 LEU HD2% A 32 GLN HGy 1.0 . 4.49 301 272 A 34 LEU HD2% A 1 MET HBx 1.0 . 3.30 302 272 A 34 LEU HD2% A 1 MET HBy 1.0 . 3.30 303 273 A 34 LEU HB3 A 34 LEU HD2% 1.0 . 3.56 304 274 A 34 LEU HD2% A 34 LEU HA 1.0 . 3.16 305 275 A 25 ARG HG3 A 25 ARG HA 1.0 . 4.06 306 276 A 31 PRO HD2 A 30 GLY HAx 1.0 . 3.78 307 277 A 27 LYS HA A 27 LYS HDx 1.0 . 4.81 308 278 A 26 GLY HA2 A 20 CYS HBx 1.0 . 4.79 309 279 A 26 GLY HA2 A 25 ARG HA 1.0 . 5.06 310 280 A 26 GLY HA2 A 36 ARG HA 1.0 . 5.20 311 281 A 26 GLY HA2 A 36 ARG HDx 1.0 . 5.50 312 281 A 36 ARG HDy A 26 GLY HA2 1.0 . 5.50 313 282 A 35 CYS HA A 26 GLY HA2 1.0 . 3.36 314 283 A 17 ASP HA A 20 CYS HBy 1.0 . 4.55 315 284 A 35 CYS HA A 20 CYS HBy 1.0 . 4.95 316 285 A 26 GLY HA2 A 20 CYS HBy 1.0 . 4.79 317 286 A 5 CYS HB3 A 28 CYS HBx 1.0 . 5.26 318 287 A 27 LYS HA A 28 CYS HBx 1.0 . 4.88 319 288 A 29 TYR H A 28 CYS HBx 1.0 . 4.79 320 289 A 25 ARG HB2 A 25 ARG HDx 1.0 . 3.92 321 289 A 25 ARG HDy A 25 ARG HB2 1.0 . 3.92 322 290 A 32 GLN HB2 A 34 LEU HD2% 1.0 . 3.94 323 291 A 8 THR HG2% A 8 THR HA 1.0 . 3.26 324 292 A 15 LYS HE2 A 15 LYS HGy 1.0 . 3.89 325 293 A 15 LYS H A 15 LYS HGy 1.0 . 4.01 326 294 A 34 LEU HD1% A 29 TYR HB3 1.0 . 3.69 327 295 A 32 GLN HB3 A 34 LEU HD1% 1.0 . 5.41 328 296 A 34 LEU HD1% A 34 LEU HB2 1.0 . 3.21 329 297 A 34 LEU HB3 A 34 LEU HD1% 1.0 . 3.34 330 298 A 34 LEU HD1% A 29 TYR HE% 1.0 . 4.23 331 299 A 34 LEU HD1% A 34 LEU HA 1.0 . 4.62 332 300 A 8 THR HG2% A 8 THR H 1.0 . 3.89 333 301 A 14 ARG HA A 14 ARG HDx 1.0 . 4.36 334 302 A 13 ALA HB% A 14 ARG HA 1.0 . 4.57 335 303 A 13 ALA HB% A 12 MET HB3 1.0 . 4.40 336 304 A 12 MET HA A 15 LYS HB3 1.0 . 5.38 337 305 A 15 LYS HB3 A 15 LYS HE3 1.0 . 4.74 338 306 A 12 MET HE% A 15 LYS HB3 1.0 . 4.29 339 307 A 16 CYS H A 15 LYS HB3 1.0 . 4.85 340 308 A 15 LYS H A 15 LYS HB3 1.0 . 3.96 341 309 A 25 ARG HB3 A 20 CYS HBy 1.0 . 4.17 342 310 A 25 ARG HA A 25 ARG HDx 1.0 . 3.80 343 310 A 25 ARG HDy A 25 ARG HA 1.0 . 3.80 344 311 A 25 ARG HG2 A 25 ARG HA 1.0 . 3.56 345 312 A 2 CYS HB3 A 19 CYS HB3 1.0 . 4.45 346 313 A 19 CYS HB3 A 3 MET HB2 1.0 . 5.13 347 314 A 19 CYS HB3 A 3 MET HG3 1.0 . 5.50 348 315 A 19 CYS HB3 A 20 CYS HA 1.0 . 4.29 349 316 A 27 LYS HA A 27 LYS HDy 1.0 . 4.81 350 317 A 27 LYS HBx A 27 LYS HEx 1.0 . 4.56 351 317 A 27 LYS HBy A 27 LYS HEx 1.0 . 4.56 352 317 A 27 LYS HEy A 27 LYS HBx 1.0 . 4.56 353 317 A 27 LYS HBy A 27 LYS HEy 1.0 . 4.56 354 318 A 23 LYS HA A 23 LYS HGx 1.0 . 3.81 355 319 A 36 ARG HA A 36 ARG HGy 1.0 . 4.05 356 320 A 13 ALA HB% A 16 CYS HB3 1.0 . 5.03 357 321 A 15 LYS HB2 A 15 LYS HDx 1.0 . 3.61 358 321 A 15 LYS HB2 A 15 LYS HDy 1.0 . 3.61 359 322 A 15 LYS HB3 A 15 LYS HDx 1.0 . 3.34 360 322 A 15 LYS HDy A 15 LYS HB3 1.0 . 3.34 361 323 A 14 ARG HBx A 14 ARG HGx 1.0 . 2.77 362 323 A 14 ARG HBy A 14 ARG HGx 1.0 . 2.77 363 323 A 14 ARG HGy A 14 ARG HBx 1.0 . 2.77 364 323 A 14 ARG HGy A 14 ARG HBy 1.0 . 2.77 365 324 A 15 LYS HE2 A 12 MET HA 1.0 . 3.67 366 325 A 12 MET HA A 15 LYS HE3 1.0 . 3.61 367 326 A 12 MET HG3 A 12 MET HA 1.0 . 4.18 368 327 A 12 MET HG2 A 5 CYS HA 1.0 . 5.01 369 328 A 9 ASP H A 9 ASP HBy 1.0 . 4.00 370 329 A 9 ASP H A 9 ASP HBx 1.0 . 4.00 371 330 A 6 PHE HE% A 4 PRO HGy 1.0 . 4.80 372 331 A 3 MET HA A 4 PRO HD3 1.0 . 3.12 373 332 A 3 MET HA A 4 PRO HD2 1.0 . 3.76 374 333 A 3 MET HB2 A 4 PRO HD3 1.0 . 3.44 375 334 A 1 MET HE% A 4 PRO HD3 1.0 . 3.88 376 335 A 3 MET HB2 A 4 PRO HD2 1.0 . 3.22 377 336 A 3 MET H A 2 CYS HB3 1.0 . 3.99 378 337 A 34 LEU HD2% A 1 MET HA 1.0 . 3.53 379 338 A 33 CYS H A 1 MET HBx 1.0 . 4.73 380 338 A 33 CYS H A 1 MET HBy 1.0 . 4.73 381 339 A 36 ARG HDy A 36 ARG HBx 1.0 . 3.76 382 339 A 36 ARG HBx A 36 ARG HDx 1.0 . 3.76 383 340 A 3 MET H A 3 MET HG3 1.0 . 4.90 384 341 A 3 MET H A 3 MET HG2 1.0 . 4.75 385 342 A 3 MET HG2 A 4 PRO HD2 1.0 . 4.76 386 343 A 33 CYS HB3 A 3 MET HG3 1.0 . 4.33 387 344 A 3 MET HB2 A 3 MET HG3 1.0 . 2.78 388 345 A 12 MET HE% A 5 CYS HA 1.0 . 3.65 389 346 A 12 MET HE% A 12 MET HA 1.0 . 3.86 390 347 A 12 MET HE% A 15 LYS HE3 1.0 . 3.58 391 348 A 12 MET HE% A 3 MET HG3 1.0 . 3.48 392 349 A 12 MET HE% A 15 LYS HB2 1.0 . 3.55 393 350 A 3 MET HA A 3 MET HE% 1.0 . 4.65 394 351 A 19 CYS HB3 A 3 MET HE% 1.0 . 4.94 395 352 A 15 LYS HE3 A 3 MET HE% 1.0 . 4.54 396 353 A 3 MET HG3 A 3 MET HE% 1.0 . 3.43 397 354 A 3 MET HB2 A 3 MET HE% 1.0 . 2.85 398 355 A 3 MET HE% A 15 LYS HDx 1.0 . 3.28 399 355 A 15 LYS HDy A 3 MET HE% 1.0 . 3.28 400 356 A 15 LYS HB2 A 3 MET HE% 1.0 . 3.80 401 357 A 15 LYS HB3 A 3 MET HE% 1.0 . 4.92 402 358 A 12 MET HG3 A 16 CYS HB3 1.0 . 4.41 403 359 A 34 LEU HD2% A 29 TYR HB3 1.0 . 5.04 404 360 A 34 LEU HG A 29 TYR HB3 1.0 . 4.27 405 361 A 34 LEU HG A 29 TYR HB2 1.0 . 4.50 406 362 A 33 CYS HB2 A 3 MET HG3 1.0 . 4.16 407 363 A 33 CYS HB2 A 3 MET HG2 1.0 . 4.04 408 364 A 7 THR HA A 7 THR HG2% 1.0 . 3.40 409 365 A 6 PHE HA A 7 THR HG2% 1.0 . 4.82 410 366 A 1 MET HA A 1 MET HBx 1.0 . 2.87 411 366 A 1 MET HBy A 1 MET HA 1.0 . 2.87 412 367 A 1 MET HA A 34 LEU HA 1.0 . 4.29 413 368 A 1 MET HBy A 32 GLN HGx 1.0 . 3.77 414 368 A 1 MET HBx A 32 GLN HGx 1.0 . 3.77 415 368 A 32 GLN HGy A 1 MET HBx 1.0 . 3.77 416 368 A 32 GLN HGy A 1 MET HBy 1.0 . 3.77 417 369 A 3 MET HE% A 3 MET HB3 1.0 . 3.05 418 370 A 32 GLN HB2 A 1 MET HBx 1.0 . 3.88 419 370 A 32 GLN HB2 A 1 MET HBy 1.0 . 3.88 420 371 A 14 ARG HA A 14 ARG HGx 1.0 . 3.52 421 371 A 14 ARG HGy A 14 ARG HA 1.0 . 3.52 422 372 A 17 ASP HB2 A 14 ARG HA 1.0 . 3.82 423 373 A 36 ARG HDy A 36 ARG HBy 1.0 . 3.76 424 373 A 36 ARG HBy A 36 ARG HDx 1.0 . 3.76 425 374 A 14 ARG HBx A 14 ARG HDx 1.0 . 4.04 426 374 A 14 ARG HBy A 14 ARG HDx 1.0 . 4.04 427 375 A 36 ARG HA A 36 ARG HDx 1.0 . 5.02 428 375 A 36 ARG HDy A 36 ARG HA 1.0 . 5.02 429 376 A 31 PRO HD2 A 30 GLY HAy 1.0 . 3.78 430 377 A 31 PRO HD3 A 30 GLY HAy 1.0 . 3.60 431 378 A 31 PRO HD3 A 30 GLY HAx 1.0 . 3.60 432 379 A 1 MET HE% A 4 PRO HD2 1.0 . 5.33 433 380 A 1 MET HE% A 32 GLN HGx 1.0 . 3.72 434 380 A 32 GLN HGy A 1 MET HE% 1.0 . 3.72 435 381 A 12 MET HB2 A 15 LYS HE3 1.0 . 4.04 436 382 A 12 MET HE% A 12 MET HG2 1.0 . 3.70 437 383 A 15 LYS HE2 A 12 MET HE% 1.0 . 3.68 438 384 A 12 MET HE% A 3 MET HE% 1.0 . 3.66 439 385 A 8 THR HG2% A 6 PHE HD% 1.0 . 4.71 440 386 A 9 ASP H A 8 THR HB 1.0 . 4.98 441 387 A 9 ASP H A 7 THR HG2% 1.0 . 5.19 442 388 A 9 ASP H A 7 THR HA 1.0 . 4.84 443 389 A 9 ASP H A 7 THR HB 1.0 . 5.50 444 390 A 7 THR H A 7 THR HG2% 1.0 . 4.47 445 391 A 5 CYS HA A 16 CYS HB2 1.0 . 4.33 446 392 A 33 CYS HB2 A 5 CYS HA 1.0 . 4.68 447 393 A 5 CYS HB3 A 33 CYS HB2 1.0 . 3.88 448 394 A 33 CYS HA A 5 CYS HB2 1.0 . 4.36 449 395 A 6 PHE HE% A 4 PRO HD2 1.0 . 5.50 450 396 A 5 CYS H A 4 PRO HD2 1.0 . 5.50 451 397 A 3 MET HG3 A 4 PRO HD2 1.0 . 4.48 452 398 A 3 MET HG3 A 4 PRO HD3 1.0 . 4.67 453 399 A 4 PRO HD2 A 3 MET HE% 1.0 . 3.54 454 400 A 4 PRO HD3 A 3 MET HE% 1.0 . 4.44 455 401 A 19 CYS HB3 A 3 MET HB3 1.0 . 4.28 456 402 A 2 CYS HB3 A 3 MET HB2 1.0 . 5.25 457 403 A 2 CYS HB3 A 3 MET HG2 1.0 . 4.48 458 404 A 1 MET HE% A 4 PRO HA 1.0 . 4.49 459 405 A 32 GLN HA A 1 MET HE% 1.0 . 5.14 460 406 A 32 GLN HA A 1 MET HBx 1.0 . 4.30 461 406 A 32 GLN HA A 1 MET HBy 1.0 . 4.30 462 407 A 4 PRO HD2 A 3 MET HB3 1.0 . 3.64 463 408 A 12 MET HA A 15 LYS HDx 1.0 . 4.34 464 408 A 15 LYS HDy A 12 MET HA 1.0 . 4.34 465 409 A 36 ARG HA A 36 ARG HGx 1.0 . 4.05 466 410 A 35 CYS HA A 26 GLY HA3 1.0 . 3.38 467 411 A 32 GLN HB3 A 33 CYS HB3 1.0 . 5.14 468 412 A 31 PRO HD2 A 32 GLN HGx 1.0 . 4.18 469 412 A 31 PRO HD2 A 32 GLN HGy 1.0 . 4.18 470 413 A 31 PRO HD2 A 32 GLN HB2 1.0 . 4.62 471 414 A 31 PRO HD3 A 32 GLN HGx 1.0 . 5.36 472 414 A 32 GLN HGy A 31 PRO HD3 1.0 . 5.36 473 415 A 32 GLN H A 31 PRO HD3 1.0 . 4.90 474 416 A 27 LYS HA A 28 CYS HBy 1.0 . 4.88 475 417 A 35 CYS H A 26 GLY HA2 1.0 . 5.16 476 418 A 23 LYS HEy A 23 LYS HGx 1.0 . 4.06 477 418 A 23 LYS HGx A 23 LYS HEx 1.0 . 4.06 478 419 A 23 LYS HEy A 23 LYS HBy 1.0 . 4.16 479 419 A 23 LYS HBy A 23 LYS HEx 1.0 . 4.16 480 420 A 25 ARG HB2 A 20 CYS HBy 1.0 . 3.95 481 421 A 25 ARG HB2 A 21 GLY H 1.0 . 4.00 482 422 A 25 ARG HG3 A 21 GLY H 1.0 . 5.33 483 423 A 21 GLY H A 25 ARG HDx 1.0 . 5.49 484 423 A 25 ARG HDy A 21 GLY H 1.0 . 5.49 485 424 A 24 GLY HAy A 23 LYS HGx 1.0 . 4.97 486 424 A 23 LYS HGx A 24 GLY HAx 1.0 . 4.97 487 425 A 24 GLY HAy A 23 LYS HGy 1.0 . 4.97 488 425 A 23 LYS HGy A 24 GLY HAx 1.0 . 4.97 489 426 A 23 LYS HEy A 23 LYS HGy 1.0 . 4.06 490 426 A 23 LYS HEx A 23 LYS HGy 1.0 . 4.06 491 427 A 25 ARG HG3 A 22 GLY HAx 1.0 . 5.09 492 428 A 26 GLY HA3 A 20 CYS HBy 1.0 . 4.06 493 429 A 26 GLY HA3 A 20 CYS HBx 1.0 . 4.06 494 430 A 21 GLY H A 20 CYS HBy 1.0 . 5.11 495 431 A 22 GLY H A 20 CYS HBx 1.0 . 5.33 496 432 A 22 GLY H A 20 CYS HBy 1.0 . 5.33 497 433 A 19 CYS HB3 A 3 MET HG2 1.0 . 4.85 498 434 A 19 CYS HB3 A 18 ASP HB3 1.0 . 5.26 499 435 A 19 CYS HB2 A 3 MET HG2 1.0 . 4.93 500 436 A 19 CYS HB2 A 3 MET HE% 1.0 . 5.22 501 437 A 19 CYS HB3 A 16 CYS HA 1.0 . 4.12 502 438 A 19 CYS HB2 A 16 CYS HA 1.0 . 4.58 503 439 A 18 ASP HB3 A 19 CYS HA 1.0 . 4.23 504 440 A 18 ASP HA A 23 LYS H 1.0 . 5.20 505 441 A 17 ASP HB3 A 24 GLY HAx 1.0 . 4.67 506 441 A 17 ASP HB3 A 24 GLY HAy 1.0 . 4.67 507 442 A 12 MET HG3 A 16 CYS HB2 1.0 . 4.35 508 443 A 12 MET HE% A 16 CYS HB3 1.0 . 4.59 509 444 A 15 LYS HE3 A 15 LYS HGx 1.0 . 4.15 510 445 A 11 GLN HB2 A 15 LYS HE2 1.0 . 4.35 511 446 A 15 LYS HB2 A 15 LYS HE3 1.0 . 4.35 512 447 A 15 LYS HE2 A 15 LYS HB2 1.0 . 4.27 513 448 A 15 LYS HA A 15 LYS HE3 1.0 . 5.46 514 449 A 15 LYS HE2 A 15 LYS HB3 1.0 . 4.77 515 450 A 15 LYS HE3 A 15 LYS HGy 1.0 . 4.15 516 451 A 15 LYS HA A 15 LYS HDx 1.0 . 4.51 517 451 A 15 LYS HDy A 15 LYS HA 1.0 . 4.51 518 452 A 14 ARG HA A 14 ARG HDy 1.0 . 4.36 519 453 A 13 ALA HB% A 14 ARG HBx 1.0 . 4.49 520 453 A 13 ALA HB% A 14 ARG HBy 1.0 . 4.49 521 454 A 1 MET HA A 1 MET HGy 1.0 . 3.48 522 454 A 1 MET HA A 1 MET HGx 1.0 . 3.48 523 455 A 1 MET HE% A 1 MET HGy 1.0 . 3.28 524 455 A 1 MET HE% A 1 MET HGx 1.0 . 3.28 525 456 A 32 GLN HE2y A 1 MET HGx 1.0 . 4.64 526 456 A 32 GLN HE2x A 1 MET HGy 1.0 . 4.64 527 456 A 32 GLN HE2x A 1 MET HGx 1.0 . 4.64 528 456 A 32 GLN HE2y A 1 MET HGy 1.0 . 4.64 529 457 A 32 GLN HE2x A 1 MET HE% 1.0 . 4.58 530 457 A 32 GLN HE2y A 1 MET HE% 1.0 . 4.58 531 458 A 3 MET HG3 A 4 PRO HBx 1.0 . 5.04 532 458 A 3 MET HG3 A 4 PRO HBy 1.0 . 5.04 533 459 A 6 PHE HE% A 4 PRO HBx 1.0 . 4.18 534 459 A 6 PHE HE% A 4 PRO HBy 1.0 . 4.18 535 460 A 5 CYS H A 4 PRO HGx 1.0 . 5.03 536 460 A 5 CYS H A 4 PRO HGy 1.0 . 5.03 537 461 A 6 PHE HE% A 4 PRO HGx 1.0 . 3.97 538 461 A 6 PHE HE% A 4 PRO HGy 1.0 . 3.97 539 462 A 6 PHE HZ A 4 PRO HGx 1.0 . 5.08 540 462 A 4 PRO HGy A 6 PHE HZ 1.0 . 5.08 541 463 A 5 CYS HB3 A 28 CYS HBx 1.0 . 4.49 542 463 A 5 CYS HB3 A 28 CYS HBy 1.0 . 4.49 543 464 A 6 PHE HB3 A 9 ASP HBy 1.0 . 4.55 544 464 A 6 PHE HB3 A 9 ASP HBx 1.0 . 4.55 545 465 A 9 ASP H A 9 ASP HBy 1.0 . 3.43 546 465 A 9 ASP H A 9 ASP HBx 1.0 . 3.43 547 466 A 12 MET H A 9 ASP HBy 1.0 . 4.50 548 466 A 12 MET H A 9 ASP HBx 1.0 . 4.50 549 467 A 12 MET HB2 A 9 ASP HBy 1.0 . 4.04 550 467 A 12 MET HB2 A 9 ASP HBx 1.0 . 4.04 551 468 A 12 MET HG2 A 9 ASP HBy 1.0 . 3.91 552 468 A 12 MET HG2 A 9 ASP HBx 1.0 . 3.91 553 469 A 11 GLN H A 10 HIS HBy 1.0 . 4.36 554 469 A 11 GLN H A 10 HIS HBx 1.0 . 4.36 555 470 A 10 HIS HBx A 11 GLN HGx 1.0 . 5.18 556 470 A 10 HIS HBy A 11 GLN HGx 1.0 . 5.18 557 470 A 11 GLN HGy A 10 HIS HBy 1.0 . 5.18 558 470 A 10 HIS HBx A 11 GLN HGy 1.0 . 5.18 559 471 A 11 GLN H A 11 GLN HGx 1.0 . 3.81 560 471 A 11 GLN H A 11 GLN HGy 1.0 . 3.81 561 472 A 12 MET H A 11 GLN HGx 1.0 . 4.60 562 472 A 12 MET H A 11 GLN HGy 1.0 . 4.60 563 473 A 12 MET HA A 11 GLN HGx 1.0 . 4.45 564 473 A 12 MET HA A 11 GLN HGy 1.0 . 4.45 565 474 A 12 MET HB2 A 11 GLN HGx 1.0 . 3.67 566 474 A 12 MET HB2 A 11 GLN HGy 1.0 . 3.67 567 475 A 13 ALA H A 11 GLN HGx 1.0 . 5.09 568 475 A 13 ALA H A 11 GLN HGy 1.0 . 5.09 569 476 A 13 ALA HB% A 28 CYS HBx 1.0 . 4.43 570 476 A 13 ALA HB% A 28 CYS HBy 1.0 . 4.43 571 477 A 14 ARG HBx A 14 ARG HDx 1.0 . 3.44 572 477 A 14 ARG HBy A 14 ARG HDx 1.0 . 3.44 573 477 A 14 ARG HDy A 14 ARG HBx 1.0 . 3.44 574 477 A 14 ARG HBy A 14 ARG HDy 1.0 . 3.44 575 478 A 15 LYS H A 14 ARG HDx 1.0 . 5.10 576 478 A 15 LYS H A 14 ARG HDy 1.0 . 5.10 577 479 A 15 LYS H A 15 LYS HGy 1.0 . 3.52 578 479 A 15 LYS H A 15 LYS HGx 1.0 . 3.52 579 480 A 15 LYS HE2 A 15 LYS HGy 1.0 . 3.37 580 480 A 15 LYS HE2 A 15 LYS HGx 1.0 . 3.37 581 481 A 15 LYS HE3 A 15 LYS HGy 1.0 . 3.48 582 481 A 15 LYS HE3 A 15 LYS HGx 1.0 . 3.48 583 482 A 17 ASP HA A 20 CYS HBx 1.0 . 3.76 584 482 A 17 ASP HA A 20 CYS HBy 1.0 . 3.76 585 483 A 18 ASP H A 20 CYS HBx 1.0 . 5.34 586 483 A 18 ASP H A 20 CYS HBy 1.0 . 5.34 587 484 A 18 ASP HA A 22 GLY HAy 1.0 . 4.08 588 484 A 18 ASP HA A 22 GLY HAx 1.0 . 4.08 589 485 A 19 CYS H A 20 CYS HBx 1.0 . 5.19 590 485 A 19 CYS H A 20 CYS HBy 1.0 . 5.19 591 486 A 19 CYS HB3 A 20 CYS HBx 1.0 . 5.34 592 486 A 19 CYS HB3 A 20 CYS HBy 1.0 . 5.34 593 487 A 20 CYS H A 20 CYS HBx 1.0 . 2.91 594 487 A 20 CYS H A 20 CYS HBy 1.0 . 2.91 595 488 A 21 GLY H A 20 CYS HBx 1.0 . 4.38 596 488 A 21 GLY H A 20 CYS HBy 1.0 . 4.38 597 489 A 22 GLY H A 20 CYS HBx 1.0 . 4.64 598 489 A 22 GLY H A 20 CYS HBy 1.0 . 4.64 599 490 A 25 ARG HA A 20 CYS HBx 1.0 . 5.34 600 490 A 25 ARG HA A 20 CYS HBy 1.0 . 5.34 601 491 A 26 GLY H A 20 CYS HBx 1.0 . 4.70 602 491 A 26 GLY H A 20 CYS HBy 1.0 . 4.70 603 492 A 26 GLY HA3 A 20 CYS HBx 1.0 . 3.41 604 492 A 26 GLY HA3 A 20 CYS HBy 1.0 . 3.41 605 493 A 35 CYS H A 20 CYS HBx 1.0 . 5.34 606 493 A 35 CYS H A 20 CYS HBy 1.0 . 5.34 607 494 A 35 CYS HA A 20 CYS HBx 1.0 . 4.09 608 494 A 35 CYS HA A 20 CYS HBy 1.0 . 4.09 609 495 A 20 CYS HBy A 35 CYS HBx 1.0 . 3.27 610 495 A 20 CYS HBx A 35 CYS HBx 1.0 . 3.27 611 495 A 35 CYS HBy A 20 CYS HBx 1.0 . 3.27 612 495 A 20 CYS HBy A 35 CYS HBy 1.0 . 3.27 613 496 A 36 ARG H A 20 CYS HBx 1.0 . 5.32 614 496 A 36 ARG H A 20 CYS HBy 1.0 . 5.32 615 497 A 21 GLY HAx A 25 ARG HDx 1.0 . 4.52 616 497 A 21 GLY HAy A 25 ARG HDx 1.0 . 4.52 617 497 A 25 ARG HDy A 21 GLY HAy 1.0 . 4.52 618 497 A 25 ARG HDy A 21 GLY HAx 1.0 . 4.52 619 498 A 22 GLY HAx A 23 LYS HBy 1.0 . 4.67 620 498 A 22 GLY HAy A 23 LYS HBy 1.0 . 4.67 621 498 A 23 LYS HBx A 22 GLY HAy 1.0 . 4.67 622 498 A 22 GLY HAx A 23 LYS HBx 1.0 . 4.67 623 499 A 25 ARG HB2 A 22 GLY HAy 1.0 . 4.39 624 499 A 25 ARG HB2 A 22 GLY HAx 1.0 . 4.39 625 500 A 25 ARG HG3 A 22 GLY HAy 1.0 . 4.25 626 500 A 25 ARG HG3 A 22 GLY HAx 1.0 . 4.25 627 501 A 22 GLY HAy A 25 ARG HDx 1.0 . 4.37 628 501 A 22 GLY HAx A 25 ARG HDx 1.0 . 4.37 629 501 A 25 ARG HDy A 22 GLY HAy 1.0 . 4.37 630 501 A 25 ARG HDy A 22 GLY HAx 1.0 . 4.37 631 502 A 23 LYS H A 23 LYS HGy 1.0 . 4.11 632 502 A 23 LYS H A 23 LYS HGx 1.0 . 4.11 633 503 A 23 LYS HBx A 23 LYS HEx 1.0 . 3.63 634 503 A 23 LYS HBy A 23 LYS HEx 1.0 . 3.63 635 503 A 23 LYS HEy A 23 LYS HBy 1.0 . 3.63 636 503 A 23 LYS HEy A 23 LYS HBx 1.0 . 3.63 637 504 A 24 GLY H A 23 LYS HBy 1.0 . 4.44 638 504 A 24 GLY H A 23 LYS HBx 1.0 . 4.44 639 505 A 23 LYS HBx A 24 GLY HAx 1.0 . 4.72 640 505 A 24 GLY HAy A 23 LYS HBy 1.0 . 4.72 641 505 A 24 GLY HAy A 23 LYS HBx 1.0 . 4.72 642 505 A 23 LYS HBy A 24 GLY HAx 1.0 . 4.72 643 506 A 23 LYS HEy A 23 LYS HGy 1.0 . 3.19 644 506 A 23 LYS HEx A 23 LYS HGy 1.0 . 3.19 645 506 A 23 LYS HGx A 23 LYS HEx 1.0 . 3.19 646 506 A 23 LYS HEy A 23 LYS HGx 1.0 . 3.19 647 507 A 23 LYS HGy A 24 GLY HAx 1.0 . 4.26 648 507 A 23 LYS HGx A 24 GLY HAx 1.0 . 4.26 649 507 A 24 GLY HAy A 23 LYS HGy 1.0 . 4.26 650 507 A 24 GLY HAy A 23 LYS HGx 1.0 . 4.26 651 508 A 26 GLY HA2 A 36 ARG HGx 1.0 . 4.82 652 508 A 26 GLY HA2 A 36 ARG HGy 1.0 . 4.82 653 509 A 27 LYS HA A 27 LYS HGy 1.0 . 3.68 654 509 A 27 LYS HA A 27 LYS HGx 1.0 . 3.68 655 510 A 27 LYS HA A 27 LYS HDy 1.0 . 4.15 656 510 A 27 LYS HA A 27 LYS HDx 1.0 . 4.15 657 511 A 27 LYS HA A 28 CYS HBx 1.0 . 4.29 658 511 A 27 LYS HA A 28 CYS HBy 1.0 . 4.29 659 512 A 28 CYS H A 27 LYS HGy 1.0 . 3.66 660 512 A 28 CYS H A 27 LYS HGx 1.0 . 3.66 661 513 A 29 TYR HE% A 27 LYS HGy 1.0 . 4.30 662 513 A 29 TYR HE% A 27 LYS HGx 1.0 . 4.30 663 514 A 28 CYS H A 27 LYS HDy 1.0 . 4.83 664 514 A 28 CYS H A 27 LYS HDx 1.0 . 4.83 665 515 A 29 TYR HD% A 27 LYS HDy 1.0 . 4.22 666 515 A 29 TYR HD% A 27 LYS HDx 1.0 . 4.22 667 516 A 29 TYR HE% A 27 LYS HDy 1.0 . 3.10 668 516 A 29 TYR HE% A 27 LYS HDx 1.0 . 3.10 669 517 A 28 CYS H A 28 CYS HBx 1.0 . 2.72 670 517 A 28 CYS H A 28 CYS HBy 1.0 . 2.72 671 518 A 29 TYR H A 28 CYS HBx 1.0 . 4.22 672 518 A 29 TYR H A 28 CYS HBy 1.0 . 4.22 673 519 A 29 TYR HA A 30 GLY HAx 1.0 . 4.56 674 519 A 29 TYR HA A 30 GLY HAy 1.0 . 4.56 675 520 A 30 GLY HAy A 31 PRO HGx 1.0 . 4.12 676 520 A 30 GLY HAx A 31 PRO HGx 1.0 . 4.12 677 520 A 31 PRO HGy A 30 GLY HAx 1.0 . 4.12 678 520 A 30 GLY HAy A 31 PRO HGy 1.0 . 4.12 679 521 A 31 PRO HD2 A 30 GLY HAx 1.0 . 2.93 680 521 A 31 PRO HD2 A 30 GLY HAy 1.0 . 2.93 681 522 A 31 PRO HD3 A 30 GLY HAx 1.0 . 2.89 682 522 A 31 PRO HD3 A 30 GLY HAy 1.0 . 2.89 683 523 A 32 GLN H A 30 GLY HAx 1.0 . 4.57 684 523 A 32 GLN H A 30 GLY HAy 1.0 . 4.57 685 524 A 32 GLN H A 31 PRO HBy 1.0 . 3.73 686 524 A 32 GLN H A 31 PRO HBx 1.0 . 3.73 687 525 A 32 GLN H A 31 PRO HGx 1.0 . 3.87 688 525 A 32 GLN H A 31 PRO HGy 1.0 . 3.87 689 526 A 31 PRO HGx A 32 GLN HGx 1.0 . 3.35 690 526 A 31 PRO HGy A 32 GLN HGx 1.0 . 3.35 691 526 A 32 GLN HGy A 31 PRO HGx 1.0 . 3.35 692 526 A 32 GLN HGy A 31 PRO HGy 1.0 . 3.35 693 527 A 34 LEU HD2% A 32 GLN HE2x 1.0 . 5.32 694 527 A 34 LEU HD2% A 32 GLN HE2y 1.0 . 5.32 695 528 A 35 CYS H A 35 CYS HBx 1.0 . 3.17 696 528 A 35 CYS H A 35 CYS HBy 1.0 . 3.17 697 529 A 36 ARG H A 35 CYS HBx 1.0 . 3.72 698 529 A 36 ARG H A 35 CYS HBy 1.0 . 3.72 699 530 A 36 ARG H A 36 ARG HBy 1.0 . 3.27 700 530 A 36 ARG H A 36 ARG HBx 1.0 . 3.27 701 531 A 36 ARG HA A 36 ARG HGx 1.0 . 3.44 702 531 A 36 ARG HA A 36 ARG HGy 1.0 . 3.44 703 532 A 36 ARG HBx A 36 ARG HGx 1.0 . 2.35 704 532 A 36 ARG HBy A 36 ARG HGx 1.0 . 2.35 705 532 A 36 ARG HGy A 36 ARG HBy 1.0 . 2.35 706 532 A 36 ARG HGy A 36 ARG HBx 1.0 . 2.35 707 533 A 36 ARG HBx A 36 ARG HDx 1.0 . 3.27 708 533 A 36 ARG HDy A 36 ARG HBy 1.0 . 3.27 709 533 A 36 ARG HDy A 36 ARG HBx 1.0 . 3.27 710 533 A 36 ARG HBy A 36 ARG HDx 1.0 . 3.27 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 CYS SG A 19 CYS SG 1.0 . 2.05 2 2 A 2 CYS SG A 19 CYS CB 1.0 . 3.07 3 3 A 19 CYS SG A 2 CYS CB 1.0 . 3.07 4 4 A 5 CYS SG A 28 CYS SG 1.0 . 2.05 5 5 A 5 CYS SG A 28 CYS CB 1.0 . 3.07 6 6 A 28 CYS SG A 5 CYS CB 1.0 . 3.07 7 7 A 16 CYS SG A 33 CYS SG 1.0 . 2.05 8 8 A 16 CYS SG A 33 CYS CB 1.0 . 3.07 9 9 A 33 CYS SG A 16 CYS CB 1.0 . 3.07 10 10 A 20 CYS SG A 35 CYS SG 1.0 . 2.05 11 11 A 20 CYS SG A 35 CYS CB 1.0 . 3.07 12 12 A 35 CYS SG A 20 CYS CB 1.0 . 3.07 13 13 A 2 CYS SG A 19 CYS SG 1.0 . 2.01 14 14 A 2 CYS SG A 19 CYS CB 1.0 . 2.99 15 15 A 19 CYS SG A 2 CYS CB 1.0 . 2.99 16 16 A 5 CYS SG A 28 CYS SG 1.0 . 2.01 17 17 A 5 CYS SG A 28 CYS CB 1.0 . 2.99 18 18 A 28 CYS SG A 5 CYS CB 1.0 . 2.99 19 19 A 16 CYS SG A 33 CYS SG 1.0 . 2.01 20 20 A 16 CYS SG A 33 CYS CB 1.0 . 2.99 21 21 A 33 CYS SG A 16 CYS CB 1.0 . 2.99 22 22 A 20 CYS SG A 35 CYS SG 1.0 . 2.01 23 23 A 20 CYS SG A 35 CYS CB 1.0 . 2.99 24 24 A 35 CYS SG A 20 CYS CB 1.0 . 2.99 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 1 MET C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -83.8 -43.8 PHI 2 2 A 2 CYS N A 2 CYS CA A 2 CYS C A 3 MET N 1.0 -51.0 -11.0 PSI 3 3 A 4 PRO N A 4 PRO CA A 4 PRO C A 5 CYS N 1.0 128.8 168.8 PSI 4 4 A 4 PRO C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -175.6 -96.6 PHI 5 5 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 PHE N 1.0 125.6 179.6 PSI 6 6 A 5 CYS C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -145.3 -61.2 PHI 7 7 A 6 PHE N A 6 PHE CA A 6 PHE C A 7 THR N 1.0 98.6 169.1 PSI 8 8 A 6 PHE C A 7 THR N A 7 THR CA A 7 THR C 1.0 -85.8 -45.8 PHI 9 9 A 7 THR N A 7 THR CA A 7 THR C A 8 THR N 1.0 -37.5 2.5 PSI 10 10 A 7 THR C A 8 THR N A 8 THR CA A 8 THR C 1.0 -112.5 -72.5 PHI 11 11 A 8 THR N A 8 THR CA A 8 THR C A 9 ASP N 1.0 -21.6 22.3 PSI 12 12 A 8 THR C A 9 ASP N A 9 ASP CA A 9 ASP C 1.0 -112.3 -45.3 PHI 13 13 A 9 ASP N A 9 ASP CA A 9 ASP C A 10 HIS N 1.0 101.5 157.3 PSI 14 14 A 9 ASP C A 10 HIS N A 10 HIS CA A 10 HIS C 1.0 -94.1 -47.8 PHI 15 15 A 10 HIS N A 10 HIS CA A 10 HIS C A 11 GLN N 1.0 -52.0 10.3 PSI 16 16 A 10 HIS C A 11 GLN N A 11 GLN CA A 11 GLN C 1.0 -121.4 -81.4 PHI 17 17 A 11 GLN N A 11 GLN CA A 11 GLN C A 12 MET N 1.0 -13.7 44.5 PSI 18 18 A 11 GLN C A 12 MET N A 12 MET CA A 12 MET C 1.0 -82.0 -42.0 PHI 19 19 A 12 MET N A 12 MET CA A 12 MET C A 13 ALA N 1.0 -63.5 -23.5 PSI 20 20 A 12 MET C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -82.7 -42.7 PHI 21 21 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 ARG N 1.0 -60.6 -20.6 PSI 22 22 A 13 ALA C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -87.1 -47.1 PHI 23 23 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 LYS N 1.0 -59.1 -19.1 PSI 24 24 A 14 ARG C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -85.1 -45.1 PHI 25 25 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 CYS N 1.0 -62.2 -22.2 PSI 26 26 A 15 LYS C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -86.1 -46.1 PHI 27 27 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 ASP N 1.0 -57.4 -17.4 PSI 28 28 A 16 CYS C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -84.3 -44.3 PHI 29 29 A 17 ASP N A 17 ASP CA A 17 ASP C A 18 ASP N 1.0 -61.5 -21.5 PSI 30 30 A 17 ASP C A 18 ASP N A 18 ASP CA A 18 ASP C 1.0 -84.4 -44.4 PHI 31 31 A 18 ASP N A 18 ASP CA A 18 ASP C A 19 CYS N 1.0 -61.0 -21.0 PSI 32 32 A 18 ASP C A 19 CYS N A 19 CYS CA A 19 CYS C 1.0 -85.3 -45.3 PHI 33 33 A 19 CYS N A 19 CYS CA A 19 CYS C A 20 CYS N 1.0 -51.8 -11.8 PSI 34 34 A 19 CYS C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -102.3 -62.3 PHI 35 35 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 GLY N 1.0 -26.0 14.0 PSI 36 36 A 21 GLY C A 22 GLY N A 22 GLY CA A 22 GLY C 1.0 -150.6 -36.7 PHI 37 37 A 22 GLY N A 22 GLY CA A 22 GLY C A 23 LYS N 1.0 148.1 205.6 PSI 38 38 A 22 GLY C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -82.0 -42.0 PHI 39 39 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 GLY N 1.0 116.0 156.0 PSI 40 40 A 23 LYS C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 63.5 103.5 PHI 41 41 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 ARG N 1.0 -19.3 23.3 PSI 42 42 A 24 GLY C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -95.3 -55.3 PHI 43 43 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 GLY N 1.0 119.1 159.1 PSI 44 44 A 26 GLY C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -157.2 -102.8 PHI 45 45 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 CYS N 1.0 121.1 161.1 PSI 46 46 A 27 LYS C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -115.9 -68.4 PHI 47 47 A 28 CYS N A 28 CYS CA A 28 CYS C A 29 TYR N 1.0 109.1 151.0 PSI 48 48 A 28 CYS C A 29 TYR N A 29 TYR CA A 29 TYR C 1.0 -136.5 -77.4 PHI 49 49 A 29 TYR N A 29 TYR CA A 29 TYR C A 30 GLY N 1.0 61.9 148.6 PSI 50 50 A 31 PRO C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -157.7 -107.2 PHI 51 51 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 CYS N 1.0 118.8 167.5 PSI 52 52 A 32 GLN C A 33 CYS N A 33 CYS CA A 33 CYS C 1.0 -104.2 -51.5 PHI 53 53 A 33 CYS N A 33 CYS CA A 33 CYS C A 34 LEU N 1.0 104.1 144.1 PSI 54 54 A 33 CYS C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -132.4 -92.4 PHI 55 55 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 CYS N 1.0 106.4 146.4 PSI 56 56 A 34 LEU C A 35 CYS N A 35 CYS CA A 35 CYS C 1.0 -105.7 -65.7 PHI 57 57 A 35 CYS N A 35 CYS CA A 35 CYS C A 36 ARG N 1.0 90.8 152.0 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 Hz 1H 10801.612 aliased 2 Hz 1H 13513.514 aliased 3 Hz 13C 16296.937 aliased stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 Hz 1H 10799.136 aliased 2 Hz 1H 12626.263 aliased 3 Hz 15N 2553.626 aliased stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 Hz 1H 10799.136 aliased 2 Hz 1H 13513.514 aliased 3 Hz 13C 6337.136 aliased stop_ save_