data_nef_c25957_2nb0 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 19657 PDB 2MHV PDB 2NB0 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 7 CYS SG 1 36 CYS SG 1 28 CYS SG 1 54 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 ALA start . . 2 A 2 LYS middle . . 3 A 3 TYR middle . . 4 A 4 THR middle . . 5 A 5 GLY middle . false 6 A 6 LYS middle . . 7 A 7 CYS middle -HG . 8 A 8 THR middle . . 9 A 9 LYS middle . . 10 A 10 SER middle . . 11 A 11 LYS middle . . 12 A 12 ASN middle . . 13 A 13 GLU middle . . 14 A 14 CYS middle . . 15 A 15 LYS middle . . 16 A 16 TYR middle . . 17 A 17 LYS middle . . 18 A 18 ASN middle . . 19 A 19 SER middle . . 20 A 20 ALA middle . . 21 A 21 GLY middle . false 22 A 22 LYS middle . . 23 A 23 ASP middle . . 24 A 24 THR middle . . 25 A 25 PHE middle . . 26 A 26 ILE middle . . 27 A 27 LYS middle . . 28 A 28 CYS middle -HG . 29 A 29 PRO middle . false 30 A 30 LYS middle . . 31 A 31 PHE middle . . 32 A 32 ASP middle . . 33 A 33 ASN middle . . 34 A 34 LYS middle . . 35 A 35 LYS middle . . 36 A 36 CYS middle -HG . 37 A 37 THR middle . . 38 A 38 LYS middle . . 39 A 39 ASP middle . . 40 A 40 ASN middle . . 41 A 41 ASN middle . . 42 A 42 LYS middle . . 43 A 43 CYS middle . . 44 A 44 THR middle . . 45 A 45 VAL middle . . 46 A 46 ASP middle . . 47 A 47 THR middle . . 48 A 48 TYR middle . . 49 A 49 ASN middle . . 50 A 50 ASN middle . . 51 A 51 ALA middle . . 52 A 52 VAL middle . . 53 A 53 ASP middle . . 54 A 54 CYS middle -HG . 55 A 55 ASP 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 2 LYS H H 1 8.204 0.020 A 2 LYS HA H 1 4.693 0.020 A 2 LYS HB2 H 1 1.462 0.020 A 2 LYS HB3 H 1 1.462 0.020 A 2 LYS HG2 H 1 1.225 0.020 A 2 LYS HG3 H 1 1.225 0.020 A 2 LYS HZ1 H 1 5.238 0.020 A 2 LYS HZ2 H 1 5.238 0.020 A 2 LYS HZ3 H 1 5.238 0.020 A 2 LYS CG C 13 25.275 0.3 A 2 LYS N N 15 119.884 0.3 A 3 TYR H H 1 8.958 0.020 A 3 TYR HA H 1 4.84 0.020 A 3 TYR HBy H 1 2.867 0.020 A 3 TYR HBx H 1 1.897 0.020 A 3 TYR CA C 13 56.414 0.3 A 3 TYR CB C 13 42.293 0.3 A 3 TYR N N 15 122.994 0.3 A 4 THR H H 1 8.859 0.020 A 4 THR HA H 1 5.047 0.020 A 4 THR HB H 1 4.067 0.020 A 4 THR HG2% H 1 1.278 0.020 A 4 THR CA C 13 61.471 0.3 A 4 THR CB C 13 70.39 0.3 A 4 THR N N 15 116.889 0.3 A 5 GLY H H 1 9.107 0.020 A 5 GLY HAy H 1 4.625 0.020 A 5 GLY HAx H 1 3.993 0.020 A 5 GLY CA C 13 44.752 0.3 A 5 GLY N N 15 115.377 0.3 A 6 LYS H H 1 8.391 0.020 A 6 LYS HA H 1 5.393 0.020 A 6 LYS HB2 H 1 1.648 0.020 A 6 LYS HB3 H 1 1.648 0.020 A 6 LYS HGy H 1 1.37 0.020 A 6 LYS HGx H 1 1.233 0.020 A 6 LYS CA C 13 54.253 0.3 A 6 LYS CB C 13 37.641 0.3 A 6 LYS CG C 13 25.311 0.3 A 6 LYS N N 15 121.194 0.3 A 7 CYS H H 1 9.802 0.020 A 7 CYS HA H 1 6.35 0.020 A 7 CYS HBy H 1 3.35 0.020 A 7 CYS HBx H 1 2.871 0.020 A 7 CYS CA C 13 53.048 0.3 A 7 CYS CB C 13 45.263 0.3 A 7 CYS N N 15 122.568 0.3 A 8 THR H H 1 8.627 0.020 A 8 THR HA H 1 4.715 0.020 A 8 THR HB H 1 4.121 0.020 A 8 THR HG2% H 1 1.266 0.020 A 8 THR CA C 13 59.952 0.3 A 8 THR CB C 13 71.034 0.3 A 8 THR N N 15 112.882 0.3 A 9 LYS H H 1 8.919 0.020 A 9 LYS HA H 1 3.576 0.020 A 9 LYS HB2 H 1 1.731 0.020 A 9 LYS HD2 H 1 1.501 0.020 A 9 LYS HD3 H 1 1.501 0.020 A 9 LYS CA C 13 59.839 0.3 A 9 LYS CB C 13 33.736 0.3 A 9 LYS N N 15 127.151 0.3 A 10 SER H H 1 9.376 0.020 A 10 SER HA H 1 4.695 0.020 A 10 SER HBy H 1 4.018 0.020 A 10 SER HBx H 1 3.853 0.020 A 10 SER CB C 13 61.749 0.3 A 10 SER N N 15 116.36 0.3 A 11 LYS H H 1 7.088 0.020 A 11 LYS HA H 1 4.182 0.020 A 11 LYS HBy H 1 1.71 0.020 A 11 LYS HBx H 1 1.37 0.020 A 11 LYS CA C 13 55.96 0.3 A 11 LYS CB C 13 33.248 0.3 A 11 LYS N N 15 116.973 0.3 A 12 ASN H H 1 7.592 0.020 A 12 ASN HA H 1 4.595 0.020 A 12 ASN HBy H 1 3.171 0.020 A 12 ASN HBx H 1 2.252 0.020 A 12 ASN HD21 H 1 6.985 0.020 A 12 ASN HD22 H 1 6.198 0.020 A 12 ASN CA C 13 53.551 0.3 A 12 ASN CB C 13 37.175 0.3 A 12 ASN N N 15 120.352 0.3 A 12 ASN ND2 N 15 110.487 0.3 A 13 GLU H H 1 7.234 0.020 A 13 GLU HA H 1 4.886 0.020 A 13 GLU HB2 H 1 1.74 0.020 A 13 GLU HB3 H 1 1.74 0.020 A 13 GLU HGy H 1 2.073 0.020 A 13 GLU HGx H 1 1.927 0.020 A 13 GLU CA C 13 54.824 0.3 A 13 GLU CB C 13 35.167 0.3 A 13 GLU CG C 13 36.636 0.3 A 13 GLU N N 15 114.681 0.3 A 14 CYS H H 1 9.649 0.020 A 14 CYS HA H 1 4.647 0.020 A 14 CYS HBy H 1 2.892 0.020 A 14 CYS HBx H 1 2.583 0.020 A 14 CYS CA C 13 53.777 0.3 A 14 CYS CB C 13 42.136 0.3 A 14 CYS N N 15 123.347 0.3 A 15 LYS H H 1 8.65 0.020 A 15 LYS HA H 1 4.948 0.020 A 15 LYS HB2 H 1 1.447 0.020 A 15 LYS HB3 H 1 1.447 0.020 A 15 LYS HD2 H 1 1.745 0.020 A 15 LYS HD3 H 1 1.745 0.020 A 15 LYS HGy H 1 0.587 0.020 A 15 LYS HGx H 1 0.216 0.020 A 15 LYS CA C 13 54.358 0.3 A 15 LYS CB C 13 34.313 0.3 A 15 LYS CG C 13 24.095 0.3 A 15 LYS N N 15 130.816 0.3 A 16 TYR H H 1 8.995 0.020 A 16 TYR HA H 1 4.934 0.020 A 16 TYR HBy H 1 2.625 0.020 A 16 TYR HBx H 1 2.334 0.020 A 16 TYR CA C 13 54.796 0.3 A 16 TYR CB C 13 41.201 0.3 A 16 TYR N N 15 126.576 0.3 A 17 LYS H H 1 8.399 0.020 A 17 LYS HA H 1 4.403 0.020 A 17 LYS HBy H 1 1.657 0.020 A 17 LYS HBx H 1 1.44 0.020 A 17 LYS HG2 H 1 1.205 0.020 A 17 LYS HG3 H 1 1.205 0.020 A 17 LYS CA C 13 54.49 0.3 A 17 LYS CB C 13 32.783 0.3 A 17 LYS N N 15 120.916 0.3 A 18 ASN H H 1 7.735 0.020 A 18 ASN HA H 1 4.019 0.020 A 18 ASN HBy H 1 3.394 0.020 A 18 ASN HBx H 1 2.571 0.020 A 18 ASN HD21 H 1 7.345 0.020 A 18 ASN HD22 H 1 6.784 0.020 A 18 ASN CA C 13 50.961 0.3 A 18 ASN CB C 13 37.924 0.3 A 18 ASN N N 15 122.206 0.3 A 18 ASN ND2 N 15 111.09 0.3 A 19 SER H H 1 8.196 0.020 A 19 SER HA H 1 4.695 0.020 A 19 SER HB2 H 1 4.218 0.020 A 19 SER HB3 H 1 4.218 0.020 A 19 SER CB C 13 63.217 0.3 A 19 SER N N 15 113.607 0.3 A 20 ALA H H 1 7.409 0.020 A 20 ALA HA H 1 4.463 0.020 A 20 ALA HB% H 1 1.354 0.020 A 20 ALA CA C 13 51.511 0.3 A 20 ALA CB C 13 18.833 0.3 A 20 ALA N N 15 123.347 0.3 A 21 GLY H H 1 8.162 0.020 A 21 GLY HAy H 1 4.093 0.020 A 21 GLY HAx H 1 3.513 0.020 A 21 GLY CA C 13 45.448 0.3 A 21 GLY N N 15 107.557 0.3 A 22 LYS H H 1 7.621 0.020 A 22 LYS HA H 1 4.327 0.020 A 22 LYS HB2 H 1 1.503 0.020 A 22 LYS HB3 H 1 1.503 0.020 A 22 LYS HG2 H 1 1.211 0.020 A 22 LYS HG3 H 1 1.211 0.020 A 22 LYS CA C 13 54.33 0.3 A 22 LYS CB C 13 32.778 0.3 A 22 LYS CG C 13 21.966 0.3 A 22 LYS N N 15 120.341 0.3 A 23 ASP H H 1 8.636 0.020 A 23 ASP HA H 1 4.319 0.020 A 23 ASP HBy H 1 2.417 0.020 A 23 ASP HBx H 1 1.884 0.020 A 23 ASP CA C 13 55.687 0.3 A 23 ASP CB C 13 40.724 0.3 A 23 ASP N N 15 126.799 0.3 A 24 THR H H 1 8.791 0.020 A 24 THR HA H 1 4.045 0.020 A 24 THR HB H 1 2.352 0.020 A 24 THR HG2% H 1 0.83 0.020 A 24 THR CA C 13 61.839 0.3 A 24 THR CB C 13 70.615 0.3 A 24 THR N N 15 122.688 0.3 A 25 PHE H H 1 8.316 0.020 A 25 PHE HB2 H 1 2.691 0.020 A 25 PHE HB3 H 1 2.691 0.020 A 25 PHE CA C 13 56.294 0.3 A 25 PHE CB C 13 41.891 0.3 A 25 PHE N N 15 122.187 0.3 A 26 ILE H H 1 9.104 0.020 A 26 ILE HA H 1 4.626 0.020 A 26 ILE HB H 1 1.813 0.020 A 26 ILE HG12 H 1 1.364 0.020 A 26 ILE HG13 H 1 1.364 0.020 A 26 ILE HG2% H 1 0.831 0.020 A 26 ILE CA C 13 59.686 0.3 A 26 ILE CB C 13 42.156 0.3 A 26 ILE CG1 C 13 28.618 0.3 A 26 ILE CG2 C 13 20.705 0.3 A 26 ILE N N 15 123.106 0.3 A 27 LYS H H 1 8.317 0.020 A 27 LYS HA H 1 4.217 0.020 A 27 LYS HBy H 1 2 0.020 A 27 LYS HBx H 1 1.747 0.020 A 27 LYS HG3 H 1 1.57 0.020 A 27 LYS CA C 13 57.851 0.3 A 27 LYS CB C 13 32.243 0.3 A 27 LYS CG C 13 25.048 0.3 A 27 LYS N N 15 127.012 0.3 A 28 CYS H H 1 8.402 0.020 A 28 CYS HA H 1 4.563 0.020 A 28 CYS HBy H 1 3.128 0.020 A 28 CYS HBx H 1 2.815 0.020 A 28 CYS CA C 13 56.607 0.3 A 28 CYS CB C 13 41.134 0.3 A 28 CYS N N 15 119.357 0.3 A 30 LYS H H 1 8.007 0.020 A 30 LYS HA H 1 3.975 0.020 A 30 LYS HB2 H 1 1.497 0.020 A 30 LYS HB3 H 1 1.497 0.020 A 30 LYS HG2 H 1 0.985 0.020 A 30 LYS HG3 H 1 0.985 0.020 A 30 LYS HZ1 H 1 4.67 0.020 A 30 LYS HZ2 H 1 4.67 0.020 A 30 LYS HZ3 H 1 4.67 0.020 A 30 LYS CA C 13 56.189 0.3 A 30 LYS CB C 13 32.781 0.3 A 30 LYS CG C 13 24.267 0.3 A 30 LYS N N 15 116.694 0.3 A 31 PHE H H 1 6.453 0.020 A 31 PHE HA H 1 4.502 0.020 A 31 PHE HBy H 1 3.422 0.020 A 31 PHE HBx H 1 2.57 0.020 A 31 PHE CA C 13 56.735 0.3 A 31 PHE CB C 13 40.281 0.3 A 31 PHE N N 15 117.093 0.3 A 32 ASP H H 1 8.788 0.020 A 32 ASP HA H 1 4.159 0.020 A 32 ASP HB2 H 1 2.595 0.020 A 32 ASP HB3 H 1 2.595 0.020 A 32 ASP CB C 13 40.581 0.3 A 32 ASP N N 15 121.556 0.3 A 33 ASN H H 1 8.446 0.020 A 33 ASN HA H 1 4.567 0.020 A 33 ASN HBy H 1 3.048 0.020 A 33 ASN HBx H 1 2.853 0.020 A 33 ASN HD21 H 1 7.386 0.020 A 33 ASN HD22 H 1 6.591 0.020 A 33 ASN CA C 13 54.047 0.3 A 33 ASN CB C 13 37.472 0.3 A 33 ASN N N 15 113.28 0.3 A 33 ASN ND2 N 15 111.862 0.3 A 34 LYS H H 1 7.652 0.020 A 34 LYS HA H 1 4.846 0.020 A 34 LYS HBy H 1 2.208 0.020 A 34 LYS HBx H 1 1.554 0.020 A 34 LYS HG2 H 1 1.418 0.020 A 34 LYS HG3 H 1 1.418 0.020 A 34 LYS CA C 13 55.209 0.3 A 34 LYS CB C 13 35.446 0.3 A 34 LYS CG C 13 24.641 0.3 A 34 LYS N N 15 117.362 0.3 A 35 LYS H H 1 6.918 0.020 A 35 LYS HA H 1 4.512 0.020 A 35 LYS HBy H 1 1.687 0.020 A 35 LYS HBx H 1 1.286 0.020 A 35 LYS HD2 H 1 1.48 0.020 A 35 LYS HD3 H 1 1.48 0.020 A 35 LYS HG2 H 1 0.957 0.020 A 35 LYS HG3 H 1 0.957 0.020 A 35 LYS CA C 13 55.038 0.3 A 35 LYS CB C 13 33.436 0.3 A 35 LYS CD C 13 29.361 0.3 A 35 LYS CG C 13 23.389 0.3 A 35 LYS N N 15 116.833 0.3 A 36 CYS H H 1 8.542 0.020 A 36 CYS HA H 1 4.705 0.020 A 36 CYS HBy H 1 3.271 0.020 A 36 CYS HBx H 1 2.97 0.020 A 36 CYS CB C 13 41.381 0.3 A 36 CYS N N 15 117.631 0.3 A 37 THR H H 1 10.132 0.020 A 37 THR HA H 1 4.217 0.020 A 37 THR CA C 13 63.223 0.3 A 37 THR N N 15 122.048 0.3 A 38 LYS H H 1 7.254 0.020 A 38 LYS HA H 1 4.156 0.020 A 38 LYS HBy H 1 1.699 0.020 A 38 LYS HBx H 1 1.53 0.020 A 38 LYS HG2 H 1 1.403 0.020 A 38 LYS HG3 H 1 1.403 0.020 A 38 LYS CA C 13 56.549 0.3 A 38 LYS CB C 13 35.172 0.3 A 38 LYS CG C 13 24.973 0.3 A 38 LYS N N 15 122.048 0.3 A 39 ASP H H 1 8.785 0.020 A 39 ASP HA H 1 4.586 0.020 A 39 ASP HB2 H 1 2.545 0.020 A 39 ASP HB3 H 1 2.545 0.020 A 39 ASP CA C 13 55.318 0.3 A 39 ASP CB C 13 40.053 0.3 A 39 ASP N N 15 124.813 0.3 A 40 ASN H H 1 9.453 0.020 A 40 ASN HA H 1 4.27 0.020 A 40 ASN HBy H 1 3.18 0.020 A 40 ASN HBx H 1 3.078 0.020 A 40 ASN HD21 H 1 7.553 0.020 A 40 ASN HD22 H 1 6.991 0.020 A 40 ASN CA C 13 55.67 0.3 A 40 ASN CB C 13 36.827 0.3 A 40 ASN N N 15 114.848 0.3 A 40 ASN ND2 N 15 114.245 0.3 A 41 ASN H H 1 7.732 0.020 A 41 ASN HA H 1 4.697 0.020 A 41 ASN HBy H 1 3.327 0.020 A 41 ASN HBx H 1 2.928 0.020 A 41 ASN HD21 H 1 7.602 0.020 A 41 ASN HD22 H 1 6.349 0.020 A 41 ASN CB C 13 39.001 0.3 A 41 ASN N N 15 120.276 0.3 A 41 ASN ND2 N 15 111.247 0.3 A 42 LYS H H 1 8.513 0.020 A 42 LYS HA H 1 4.387 0.020 A 42 LYS HB2 H 1 1.753 0.020 A 42 LYS HB3 H 1 1.753 0.020 A 42 LYS HG2 H 1 1.36 0.020 A 42 LYS HG3 H 1 1.36 0.020 A 42 LYS CA C 13 57.224 0.3 A 42 LYS CB C 13 33.259 0.3 A 42 LYS CG C 13 24.975 0.3 A 42 LYS N N 15 119.784 0.3 A 43 CYS H H 1 7.547 0.020 A 43 CYS HA H 1 5.368 0.020 A 43 CYS HBy H 1 3.682 0.020 A 43 CYS HBx H 1 2.971 0.020 A 43 CYS CA C 13 53.713 0.3 A 43 CYS CB C 13 49.869 0.3 A 43 CYS N N 15 114.096 0.3 A 44 THR H H 1 9.02 0.020 A 44 THR HA H 1 5.245 0.020 A 44 THR HB H 1 3.982 0.020 A 44 THR HG2% H 1 1.072 0.020 A 44 THR CA C 13 60.025 0.3 A 44 THR CB C 13 72.147 0.3 A 44 THR CG2 C 13 21.45 0.3 A 44 THR N N 15 113.24 0.3 A 45 VAL H H 1 8.583 0.020 A 45 VAL HA H 1 4.508 0.020 A 45 VAL HB H 1 1.185 0.020 A 45 VAL HG1% H 1 0.421 0.020 A 45 VAL HG2% H 1 0.421 0.020 A 45 VAL CA C 13 60.707 0.3 A 45 VAL CB C 13 35.898 0.3 A 45 VAL CG2 C 13 19.711 0.3 A 45 VAL N N 15 121.946 0.3 A 46 ASP H H 1 8.574 0.020 A 46 ASP HA H 1 5.266 0.020 A 46 ASP HBy H 1 3.329 0.020 A 46 ASP HBx H 1 2.365 0.020 A 46 ASP CA C 13 52.08 0.3 A 46 ASP CB C 13 42.744 0.3 A 46 ASP N N 15 126.557 0.3 A 47 THR H H 1 9.049 0.020 A 47 THR HA H 1 4.168 0.020 A 47 THR HB H 1 4.585 0.020 A 47 THR CA C 13 63.363 0.3 A 47 THR CB C 13 68.965 0.3 A 47 THR N N 15 114.542 0.3 A 48 TYR H H 1 8.829 0.020 A 48 TYR HA H 1 4.396 0.020 A 48 TYR HBy H 1 3.102 0.020 A 48 TYR HBx H 1 2.886 0.020 A 48 TYR CA C 13 60.24 0.3 A 48 TYR CB C 13 38.415 0.3 A 48 TYR N N 15 123.857 0.3 A 49 ASN H H 1 7.48 0.020 A 49 ASN HA H 1 4.495 0.020 A 49 ASN HBy H 1 2.766 0.020 A 49 ASN HBx H 1 2.475 0.020 A 49 ASN HD21 H 1 7.573 0.020 A 49 ASN HD22 H 1 6.713 0.020 A 49 ASN CA C 13 51.895 0.3 A 49 ASN CB C 13 38.44 0.3 A 49 ASN N N 15 113.728 0.3 A 49 ASN ND2 N 15 110.263 0.3 A 50 ASN H H 1 7.916 0.020 A 50 ASN HA H 1 4.216 0.020 A 50 ASN HBy H 1 2.914 0.020 A 50 ASN HBx H 1 2.722 0.020 A 50 ASN HD21 H 1 7.548 0.020 A 50 ASN HD22 H 1 6.757 0.020 A 50 ASN CA C 13 54.345 0.3 A 50 ASN CB C 13 36.942 0.3 A 50 ASN N N 15 117.093 0.3 A 50 ASN ND2 N 15 112.117 0.3 A 51 ALA H H 1 7.796 0.020 A 51 ALA HA H 1 4.408 0.020 A 51 ALA HB% H 1 1.305 0.020 A 51 ALA CA C 13 52.383 0.3 A 51 ALA CB C 13 20.293 0.3 A 51 ALA N N 15 121.083 0.3 A 52 VAL H H 1 8.247 0.020 A 52 VAL HA H 1 4.917 0.020 A 52 VAL HB H 1 1.906 0.020 A 52 VAL HG1% H 1 0.928 0.020 A 52 VAL HG2% H 1 0.928 0.020 A 52 VAL CA C 13 60.589 0.3 A 52 VAL CB C 13 35.047 0.3 A 52 VAL N N 15 125.472 0.3 A 53 ASP H H 1 8.613 0.020 A 53 ASP HA H 1 4.934 0.020 A 53 ASP HBy H 1 2.612 0.020 A 53 ASP HBx H 1 2.414 0.020 A 53 ASP CA C 13 53.003 0.3 A 53 ASP CB C 13 43.518 0.3 A 53 ASP N N 15 125.852 0.3 A 54 CYS H H 1 8.621 0.020 A 54 CYS HA H 1 4.726 0.020 A 54 CYS HBy H 1 3.489 0.020 A 54 CYS HBx H 1 3.405 0.020 A 54 CYS CA C 13 56.154 0.3 A 54 CYS CB C 13 44.454 0.3 A 54 CYS N N 15 122.53 0.3 A 55 ASP H H 1 7.691 0.020 A 55 ASP HA H 1 4.554 0.020 A 55 ASP HBy H 1 2.732 0.020 A 55 ASP HBx H 1 2.608 0.020 A 55 ASP CA C 13 55.448 0.3 A 55 ASP CB C 13 42.249 0.3 A 55 ASP N N 15 126.464 0.3 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 36 CYS H A 37 THR H 1.0 . 5.29 2 2 A 37 THR H A 41 ASN HD22 1.0 . 4.63 3 3 A 37 THR H A 41 ASN HBx 1.0 . 5.29 4 4 A 7 CYS H A 43 CYS H 1.0 . 5.11 5 5 A 7 CYS H A 40 ASN HA 1.0 . 5.50 6 6 A 7 CYS H A 7 CYS HBx 1.0 . 4.16 7 7 A 14 CYS H A 15 LYS H 1.0 . 5.24 8 8 A 14 CYS H A 7 CYS HA 1.0 . 5.42 9 9 A 14 CYS H A 13 GLU H 1.0 . 5.07 10 10 A 14 CYS H A 15 LYS HD2 1.0 . 4.82 11 10 A 14 CYS H A 15 LYS HD3 1.0 . 4.82 12 11 A 14 CYS H A 26 ILE HG2% 1.0 . 4.54 13 12 A 40 ASN H A 41 ASN H 1.0 . 3.35 14 13 A 7 CYS H A 40 ASN H 1.0 . 5.50 15 14 A 40 ASN H A 38 LYS HBx 1.0 . 5.34 16 15 A 9 LYS H A 10 SER H 1.0 . 4.82 17 16 A 5 GLY H A 6 LYS H 1.0 . 4.69 18 17 A 14 CYS H A 26 ILE H 1.0 . 3.91 19 18 A 26 ILE H A 25 PHE HB2 1.0 . 3.83 20 18 A 26 ILE H A 25 PHE HB3 1.0 . 3.83 21 19 A 5 GLY H A 16 TYR HBy 1.0 . 5.50 22 20 A 43 CYS H A 44 THR H 1.0 . 5.24 23 21 A 44 THR H A 44 THR HG2% 1.0 . 4.56 24 22 A 16 TYR H A 24 THR H 1.0 . 4.22 25 23 A 16 TYR H A 17 LYS H 1.0 . 5.01 26 24 A 16 TYR H A 15 LYS HGy 1.0 . 4.82 27 25 A 16 TYR H A 15 LYS HGx 1.0 . 4.91 28 26 A 2 LYS H A 3 TYR H 1.0 . 5.50 29 27 A 9 LYS H A 8 THR HB 1.0 . 4.54 30 28 A 4 THR H A 4 THR HG2% 1.0 . 4.76 31 29 A 47 THR H A 48 TYR H 1.0 . 3.75 32 30 A 48 TYR H A 46 ASP H 1.0 . 5.50 33 31 A 48 TYR H A 51 ALA H 1.0 . 5.50 34 32 A 39 ASP H A 40 ASN HD22 1.0 . 5.50 35 33 A 32 ASP H A 33 ASN H 1.0 . 5.41 36 34 A 41 ASN H A 39 ASP H 1.0 . 4.91 37 35 A 39 ASP H A 8 THR HG1 1.0 . 5.37 38 36 A 24 THR H A 24 THR HG2% 1.0 . 4.67 39 37 A 40 ASN H A 39 ASP H 1.0 . 4.76 40 38 A 39 ASP H A 38 LYS H 1.0 . 4.68 41 39 A 15 LYS H A 14 CYS HBx 1.0 . 5.50 42 40 A 24 THR H A 23 ASP H 1.0 . 4.59 43 41 A 7 CYS H A 8 THR H 1.0 . 5.36 44 42 A 7 CYS HA A 8 THR H 1.0 . 3.05 45 43 A 7 CYS HBx A 8 THR H 1.0 . 4.42 46 44 A 54 CYS H A 54 CYS HBx 1.0 . 4.13 47 45 A 8 THR H A 7 CYS HBy 1.0 . 3.65 48 46 A 54 CYS H A 55 ASP H 1.0 . 4.81 49 47 A 54 CYS H A 54 CYS HBy 1.0 . 3.79 50 48 A 10 SER H A 8 THR H 1.0 . 5.50 51 49 A 8 THR H A 12 ASN H 1.0 . 5.50 52 50 A 44 THR H A 54 CYS H 1.0 . 3.80 53 51 A 3 TYR HBx A 45 VAL H 1.0 . 4.70 54 52 A 45 VAL H A 4 THR HA 1.0 . 5.50 55 53 A 46 ASP H A 46 ASP HBy 1.0 . 3.59 56 54 A 45 VAL H A 45 VAL HG1% 1.0 . 3.87 57 54 A 45 VAL H A 45 VAL HG2% 1.0 . 3.87 58 55 A 3 TYR H A 45 VAL H 1.0 . 3.89 59 56 A 36 CYS H A 35 LYS H 1.0 . 4.83 60 57 A 36 CYS H A 9 LYS HA 1.0 . 5.50 61 58 A 41 ASN H A 42 LYS H 1.0 . 4.76 62 59 A 7 CYS H A 6 LYS H 1.0 . 5.44 63 60 A 15 LYS H A 6 LYS H 1.0 . 4.37 64 61 A 12 ASN HD22 A 28 CYS H 1.0 . 5.28 65 62 A 6 LYS H A 43 CYS HBy 1.0 . 5.50 66 63 A 28 CYS H A 28 CYS HBy 1.0 . 4.07 67 64 A 17 LYS H A 18 ASN H 1.0 . 5.02 68 65 A 28 CYS H A 12 ASN HD21 1.0 . 5.50 69 66 A 25 PHE H A 25 PHE HB2 1.0 . 3.30 70 66 A 25 PHE HB3 A 25 PHE H 1.0 . 3.30 71 67 A 26 ILE H A 27 LYS H 1.0 . 4.52 72 68 A 20 ALA HB% A 21 GLY H 1.0 . 4.59 73 69 A 30 LYS H A 31 PHE H 1.0 . 3.35 74 70 A 30 LYS H A 30 LYS HG2 1.0 . 4.23 75 70 A 30 LYS H A 30 LYS HG3 1.0 . 4.23 76 71 A 47 THR H A 50 ASN H 1.0 . 5.50 77 72 A 48 TYR H A 50 ASN H 1.0 . 4.46 78 73 A 51 ALA H A 50 ASN H 1.0 . 3.73 79 74 A 50 ASN H A 49 ASN H 1.0 . 3.29 80 75 A 50 ASN H A 47 THR HA 1.0 . 4.44 81 76 A 50 ASN H A 48 TYR HBy 1.0 . 5.50 82 77 A 51 ALA H A 52 VAL H 1.0 . 4.75 83 78 A 51 ALA H A 50 ASN HD21 1.0 . 4.64 84 79 A 51 ALA H A 33 ASN HD21 1.0 . 5.08 85 80 A 18 ASN H A 20 ALA H 1.0 . 5.50 86 81 A 18 ASN H A 18 ASN HD22 1.0 . 5.50 87 82 A 18 ASN H A 21 GLY H 1.0 . 5.32 88 83 A 41 ASN H A 40 ASN HBx 1.0 . 5.50 89 84 A 41 ASN HBx A 41 ASN H 1.0 . 3.84 90 85 A 41 ASN H A 38 LYS H 1.0 . 5.50 91 86 A 41 ASN HD22 A 41 ASN H 1.0 . 5.18 92 87 A 41 ASN H A 38 LYS HBx 1.0 . 5.10 93 88 A 55 ASP H A 55 ASP HBy 1.0 . 3.78 94 89 A 37 THR H A 55 ASP H 1.0 . 5.50 95 90 A 55 ASP H A 54 CYS HBy 1.0 . 4.66 96 91 A 55 ASP H A 43 CYS HBx 1.0 . 5.33 97 92 A 33 ASN H A 34 LYS H 1.0 . 3.70 98 93 A 35 LYS H A 34 LYS H 1.0 . 3.00 99 94 A 31 PHE H A 34 LYS H 1.0 . 5.45 100 95 A 34 LYS H A 31 PHE HBx 1.0 . 4.78 101 96 A 34 LYS H A 35 LYS HBy 1.0 . 5.28 102 97 A 23 ASP H A 22 LYS H 1.0 . 5.11 103 98 A 21 GLY H A 22 LYS H 1.0 . 3.33 104 99 A 20 ALA HB% A 22 LYS H 1.0 . 4.49 105 100 A 41 ASN HD21 A 55 ASP HBx 1.0 . 5.38 106 101 A 22 LYS H A 22 LYS HG2 1.0 . 5.14 107 101 A 22 LYS H A 22 LYS HG3 1.0 . 5.14 108 102 A 42 LYS H A 41 ASN HD21 1.0 . 5.30 109 103 A 40 ASN HBy A 40 ASN HD21 1.0 . 3.98 110 104 A 43 CYS H A 42 LYS H 1.0 . 4.93 111 105 A 48 TYR H A 49 ASN H 1.0 . 3.43 112 106 A 47 THR H A 49 ASN H 1.0 . 5.50 113 107 A 49 ASN H A 47 THR HA 1.0 . 5.50 114 108 A 46 ASP HBy A 49 ASN H 1.0 . 5.03 115 109 A 49 ASN H A 48 TYR HBy 1.0 . 4.32 116 110 A 21 GLY H A 20 ALA H 1.0 . 3.28 117 111 A 20 ALA H A 22 LYS H 1.0 . 4.54 118 112 A 20 ALA H A 18 ASN HBy 1.0 . 4.93 119 113 A 33 ASN HD21 A 50 ASN HBx 1.0 . 4.41 120 114 A 20 ALA H A 18 ASN HD21 1.0 . 2.79 121 115 A 18 ASN H A 18 ASN HD21 1.0 . 5.42 122 116 A 41 ASN HBx A 38 LYS H 1.0 . 5.08 123 117 A 41 ASN HD22 A 38 LYS H 1.0 . 4.21 124 118 A 13 GLU H A 9 LYS HA 1.0 . 5.50 125 119 A 9 LYS H A 38 LYS H 1.0 . 5.50 126 120 A 13 GLU H A 36 CYS HBx 1.0 . 5.20 127 121 A 13 GLU H A 12 ASN H 1.0 . 4.07 128 122 A 13 GLU H A 8 THR H 1.0 . 3.90 129 123 A 13 GLU H A 12 ASN HBy 1.0 . 5.50 130 124 A 13 GLU H A 12 ASN HBx 1.0 . 5.50 131 125 A 8 THR HG1 A 11 LYS H 1.0 . 5.38 132 126 A 12 ASN H A 11 LYS H 1.0 . 4.79 133 127 A 11 LYS H A 10 SER HBy 1.0 . 5.50 134 128 A 40 ASN HD22 A 6 LYS HA 1.0 . 4.59 135 129 A 12 ASN HD21 A 30 LYS HA 1.0 . 4.56 136 130 A 12 ASN HD21 A 28 CYS HBx 1.0 . 4.59 137 131 A 36 CYS H A 12 ASN HD21 1.0 . 5.50 138 132 A 54 CYS HBx A 35 LYS H 1.0 . 5.50 139 133 A 33 ASN H A 35 LYS H 1.0 . 4.92 140 134 A 35 LYS H A 35 LYS HBy 1.0 . 3.73 141 135 A 35 LYS H A 34 LYS HBx 1.0 . 5.50 142 136 A 18 ASN HD22 A 22 LYS H 1.0 . 5.50 143 137 A 33 ASN HBy A 50 ASN HD22 1.0 . 4.74 144 138 A 50 ASN HD22 A 33 ASN HBx 1.0 . 4.75 145 139 A 50 ASN HD22 A 50 ASN HA 1.0 . 5.34 146 140 A 51 ALA H A 33 ASN HD22 1.0 . 5.50 147 141 A 50 ASN HBx A 33 ASN HD22 1.0 . 5.02 148 142 A 32 ASP H A 31 PHE H 1.0 . 5.24 149 143 A 41 ASN HD22 A 42 LYS H 1.0 . 5.50 150 144 A 36 CYS H A 12 ASN HD22 1.0 . 4.85 151 145 A 12 ASN HD22 A 30 LYS H 1.0 . 5.50 152 146 A 12 ASN HD22 A 28 CYS HBx 1.0 . 4.25 153 147 A 15 LYS H A 6 LYS HA 1.0 . 5.50 154 148 A 7 CYS H A 6 LYS HA 1.0 . 2.99 155 149 A 41 ASN H A 6 LYS HA 1.0 . 5.50 156 150 A 7 CYS HA A 6 LYS HA 1.0 . 5.17 157 151 A 7 CYS HBx A 6 LYS HA 1.0 . 5.31 158 152 A 54 CYS H A 43 CYS HA 1.0 . 5.24 159 153 A 44 THR H A 43 CYS HA 1.0 . 3.17 160 154 A 55 ASP H A 43 CYS HA 1.0 . 4.26 161 155 A 43 CYS HA A 44 THR HA 1.0 . 5.13 162 156 A 44 THR HG2% A 43 CYS HA 1.0 . 5.33 163 157 A 47 THR H A 46 ASP HA 1.0 . 2.94 164 158 A 47 THR HA A 46 ASP HA 1.0 . 5.43 165 159 A 48 TYR H A 46 ASP HA 1.0 . 4.61 166 160 A 46 ASP HA A 45 VAL HG1% 1.0 . 5.34 167 160 A 45 VAL HG2% A 46 ASP HA 1.0 . 5.34 168 161 A 44 THR HA A 5 GLY HAy 1.0 . 4.22 169 162 A 5 GLY H A 44 THR HA 1.0 . 4.08 170 163 A 45 VAL H A 44 THR HA 1.0 . 2.92 171 164 A 44 THR HG2% A 44 THR HA 1.0 . 3.59 172 165 A 3 TYR H A 2 LYS HZ% 1.0 . 3.46 173 166 A 2 LYS H A 2 LYS HZ% 1.0 . 5.44 174 167 A 43 CYS HBx A 44 THR HA 1.0 . 5.50 175 168 A 3 TYR HBx A 44 THR HA 1.0 . 5.14 176 169 A 2 LYS HZ% A 2 LYS HB2 1.0 . 4.48 177 169 A 2 LYS HZ% A 2 LYS HB3 1.0 . 4.48 178 170 A 44 THR HA A 45 VAL HA 1.0 . 5.33 179 171 A 5 GLY H A 4 THR HA 1.0 . 2.96 180 172 A 4 THR HA A 44 THR HA 1.0 . 4.16 181 173 A 4 THR HG2% A 4 THR HA 1.0 . 3.73 182 174 A 44 THR HG2% A 4 THR HA 1.0 . 4.28 183 175 A 15 LYS HA A 15 LYS HD2 1.0 . 5.32 184 175 A 15 LYS HD3 A 15 LYS HA 1.0 . 5.32 185 176 A 16 TYR H A 15 LYS HA 1.0 . 3.10 186 177 A 15 LYS HA A 25 PHE HB2 1.0 . 5.31 187 177 A 25 PHE HB3 A 15 LYS HA 1.0 . 5.31 188 178 A 54 CYS H A 53 ASP HA 1.0 . 2.83 189 179 A 53 ASP HA A 45 VAL HG1% 1.0 . 5.26 190 179 A 45 VAL HG2% A 53 ASP HA 1.0 . 5.26 191 180 A 53 ASP HA A 45 VAL HB 1.0 . 5.50 192 181 A 28 CYS H A 13 GLU HA 1.0 . 3.04 193 182 A 14 CYS H A 13 GLU HA 1.0 . 3.00 194 183 A 27 LYS H A 13 GLU HA 1.0 . 5.50 195 184 A 13 GLU HA A 27 LYS HA 1.0 . 3.84 196 185 A 28 CYS HBx A 13 GLU HA 1.0 . 5.50 197 186 A 13 GLU HA A 27 LYS HBy 1.0 . 5.50 198 187 A 35 LYS H A 34 LYS HA 1.0 . 3.35 199 188 A 4 THR H A 3 TYR HA 1.0 . 3.10 200 189 A 34 LYS HA A 33 ASN HA 1.0 . 4.34 201 190 A 43 CYS HA A 54 CYS HA 1.0 . 5.50 202 191 A 39 ASP H A 8 THR HA 1.0 . 4.14 203 192 A 53 ASP HA A 54 CYS HA 1.0 . 4.37 204 193 A 55 ASP HBx A 54 CYS HA 1.0 . 4.93 205 194 A 54 CYS HA A 14 CYS HBy 1.0 . 4.07 206 195 A 14 CYS HBx A 54 CYS HA 1.0 . 4.77 207 196 A 41 ASN HA A 42 LYS HG2 1.0 . 4.80 208 196 A 41 ASN HA A 42 LYS HG3 1.0 . 4.80 209 197 A 55 ASP H A 36 CYS HA 1.0 . 5.50 210 198 A 54 CYS HBx A 36 CYS HA 1.0 . 5.22 211 199 A 40 ASN HA A 41 ASN HA 1.0 . 5.50 212 200 A 55 ASP HBx A 36 CYS HA 1.0 . 4.96 213 201 A 15 LYS H A 14 CYS HA 1.0 . 3.10 214 202 A 7 CYS HA A 14 CYS HA 1.0 . 3.16 215 203 A 7 CYS HBy A 14 CYS HA 1.0 . 4.64 216 204 A 7 CYS H A 14 CYS HA 1.0 . 5.50 217 205 A 6 LYS HA A 5 GLY HAy 1.0 . 5.50 218 206 A 14 CYS HA A 15 LYS HD2 1.0 . 5.41 219 206 A 15 LYS HD3 A 14 CYS HA 1.0 . 5.41 220 207 A 27 LYS H A 26 ILE HA 1.0 . 2.85 221 208 A 26 ILE HA A 25 PHE HB2 1.0 . 5.50 222 208 A 25 PHE HB3 A 26 ILE HA 1.0 . 5.50 223 209 A 26 ILE HG2% A 26 ILE HA 1.0 . 4.14 224 210 A 36 CYS H A 12 ASN HA 1.0 . 5.40 225 211 A 12 ASN HA A 36 CYS HBy 1.0 . 4.45 226 212 A 36 CYS HBx A 12 ASN HA 1.0 . 4.09 227 213 A 9 LYS HA A 12 ASN HA 1.0 . 4.77 228 214 A 41 ASN H A 39 ASP HA 1.0 . 4.24 229 215 A 35 LYS H A 33 ASN HA 1.0 . 5.22 230 216 A 36 CYS HA A 55 ASP HA 1.0 . 2.90 231 217 A 36 CYS H A 35 LYS HA 1.0 . 3.12 232 218 A 12 ASN HD22 A 35 LYS HA 1.0 . 4.19 233 219 A 54 CYS HBy A 35 LYS HA 1.0 . 5.05 234 220 A 12 ASN HD21 A 35 LYS HA 1.0 . 5.50 235 221 A 46 ASP HA A 45 VAL HA 1.0 . 5.50 236 222 A 45 VAL HA A 44 THR HB 1.0 . 4.94 237 223 A 45 VAL HA A 45 VAL HG1% 1.0 . 3.83 238 223 A 45 VAL HG2% A 45 VAL HA 1.0 . 3.83 239 224 A 3 TYR H A 45 VAL HA 1.0 . 5.50 240 225 A 46 ASP H A 45 VAL HA 1.0 . 2.89 241 226 A 46 ASP HBy A 45 VAL HA 1.0 . 5.50 242 227 A 45 VAL HA A 46 ASP HBx 1.0 . 5.50 243 228 A 51 ALA H A 49 ASN HA 1.0 . 5.50 244 229 A 49 ASN HA A 49 ASN HD21 1.0 . 5.50 245 230 A 21 GLY H A 17 LYS HA 1.0 . 5.50 246 231 A 17 LYS HA A 18 ASN HA 1.0 . 4.70 247 232 A 55 ASP HBy A 42 LYS HA 1.0 . 5.50 248 233 A 17 LYS HA A 18 ASN HBx 1.0 . 5.27 249 234 A 49 ASN HBx A 51 ALA HA 1.0 . 5.21 250 235 A 52 VAL H A 51 ALA HA 1.0 . 2.86 251 236 A 24 THR H A 17 LYS HA 1.0 . 4.52 252 237 A 41 ASN HBx A 42 LYS HA 1.0 . 5.03 253 238 A 18 ASN H A 17 LYS HA 1.0 . 2.84 254 239 A 43 CYS H A 42 LYS HA 1.0 . 2.88 255 240 A 23 ASP H A 22 LYS HA 1.0 . 2.81 256 241 A 16 TYR H A 23 ASP HA 1.0 . 5.06 257 242 A 24 THR H A 23 ASP HA 1.0 . 3.03 258 243 A 23 ASP HA A 24 THR HB 1.0 . 4.96 259 244 A 40 ASN HA A 40 ASN H 1.0 . 2.94 260 245 A 40 ASN HA A 40 ASN HD21 1.0 . 5.34 261 246 A 40 ASN HA A 6 LYS HA 1.0 . 5.10 262 247 A 40 ASN HA A 6 LYS HB2 1.0 . 3.92 263 247 A 40 ASN HA A 6 LYS HB3 1.0 . 3.92 264 248 A 40 ASN HA A 6 LYS HGy 1.0 . 5.50 265 249 A 21 GLY H A 19 SER HB2 1.0 . 4.74 266 249 A 21 GLY H A 19 SER HB3 1.0 . 4.74 267 250 A 20 ALA H A 19 SER HB2 1.0 . 4.47 268 250 A 20 ALA H A 19 SER HB3 1.0 . 4.47 269 251 A 41 ASN HD22 A 37 THR HA 1.0 . 4.91 270 252 A 50 ASN H A 50 ASN HA 1.0 . 2.90 271 253 A 26 ILE HG2% A 27 LYS HA 1.0 . 5.49 272 254 A 14 CYS H A 27 LYS HA 1.0 . 4.08 273 255 A 28 CYS H A 27 LYS HA 1.0 . 2.90 274 256 A 51 ALA H A 50 ASN HA 1.0 . 3.50 275 257 A 49 ASN H A 50 ASN HA 1.0 . 4.89 276 258 A 37 THR HA A 41 ASN HBy 1.0 . 5.50 277 259 A 27 LYS HA A 13 GLU HGx 1.0 . 5.18 278 260 A 47 THR HA A 45 VAL HG1% 1.0 . 5.18 279 260 A 45 VAL HG2% A 47 THR HA 1.0 . 5.18 280 261 A 35 LYS H A 32 ASP HA 1.0 . 4.79 281 262 A 34 LYS H A 32 ASP HA 1.0 . 5.08 282 263 A 37 THR H A 38 LYS HA 1.0 . 5.50 283 264 A 39 ASP H A 38 LYS HA 1.0 . 2.76 284 265 A 10 SER H A 8 THR HB 1.0 . 5.50 285 266 A 8 THR HB A 8 THR H 1.0 . 4.17 286 267 A 13 GLU H A 8 THR HB 1.0 . 5.50 287 268 A 18 ASN H A 21 GLY HAy 1.0 . 5.50 288 269 A 20 ALA H A 21 GLY HAy 1.0 . 5.47 289 270 A 5 GLY H A 4 THR HB 1.0 . 4.82 290 271 A 44 THR HG2% A 4 THR HB 1.0 . 5.50 291 272 A 4 THR H A 4 THR HB 1.0 . 3.59 292 273 A 25 PHE H A 24 THR HA 1.0 . 3.03 293 274 A 24 THR HA A 25 PHE HB2 1.0 . 5.02 294 274 A 25 PHE HB3 A 24 THR HA 1.0 . 5.02 295 275 A 24 THR HG2% A 24 THR HA 1.0 . 3.88 296 276 A 12 ASN H A 10 SER HBy 1.0 . 4.80 297 277 A 10 SER HBy A 11 LYS HBx 1.0 . 4.35 298 278 A 8 THR HG1 A 10 SER HBy 1.0 . 4.47 299 279 A 18 ASN HD21 A 18 ASN HA 1.0 . 5.50 300 280 A 6 LYS HA A 5 GLY HAx 1.0 . 5.47 301 281 A 15 LYS H A 5 GLY HAx 1.0 . 5.50 302 282 A 6 LYS H A 5 GLY HAx 1.0 . 3.28 303 283 A 4 THR HA A 44 THR HB 1.0 . 5.50 304 284 A 3 TYR H A 44 THR HB 1.0 . 5.50 305 285 A 45 VAL H A 44 THR HB 1.0 . 3.76 306 286 A 12 ASN HD22 A 30 LYS HA 1.0 . 3.77 307 287 A 30 LYS HA A 30 LYS HZ% 1.0 . 3.60 308 288 A 11 LYS H A 10 SER HBx 1.0 . 5.50 309 289 A 7 CYS H A 43 CYS HBy 1.0 . 5.50 310 290 A 54 CYS H A 43 CYS HBy 1.0 . 5.07 311 291 A 44 THR H A 43 CYS HBy 1.0 . 4.36 312 292 A 55 ASP H A 43 CYS HBy 1.0 . 4.79 313 293 A 7 CYS HA A 43 CYS HBy 1.0 . 5.21 314 294 A 7 CYS HBy A 43 CYS HBy 1.0 . 5.38 315 295 A 7 CYS HBx A 43 CYS HBy 1.0 . 3.73 316 296 A 12 ASN H A 9 LYS HA 1.0 . 4.57 317 297 A 9 LYS HA A 36 CYS HBy 1.0 . 4.56 318 298 A 9 LYS HA A 9 LYS HD2 1.0 . 4.77 319 298 A 9 LYS HA A 9 LYS HD3 1.0 . 4.77 320 299 A 20 ALA H A 21 GLY HAx 1.0 . 5.35 321 300 A 37 THR H A 54 CYS HBy 1.0 . 5.50 322 301 A 36 CYS H A 54 CYS HBy 1.0 . 4.67 323 302 A 32 ASP H A 31 PHE HBy 1.0 . 4.35 324 303 A 31 PHE H A 31 PHE HBy 1.0 . 4.08 325 304 A 20 ALA HB% A 18 ASN HBy 1.0 . 5.50 326 305 A 18 ASN HBy A 19 SER H 1.0 . 5.08 327 306 A 18 ASN HBy A 18 ASN HD21 1.0 . 4.03 328 307 A 13 GLU H A 7 CYS HBy 1.0 . 5.50 329 308 A 40 ASN H A 41 ASN HBy 1.0 . 5.48 330 309 A 47 THR H A 46 ASP HBy 1.0 . 5.34 331 310 A 48 TYR H A 46 ASP HBy 1.0 . 5.50 332 311 A 46 ASP HBy A 50 ASN H 1.0 . 5.23 333 312 A 42 LYS H A 41 ASN HBy 1.0 . 4.22 334 313 A 38 LYS H A 41 ASN HBy 1.0 . 4.41 335 314 A 41 ASN H A 41 ASN HBy 1.0 . 3.22 336 315 A 41 ASN HD21 A 41 ASN HBy 1.0 . 3.87 337 316 A 41 ASN HBy A 38 LYS HA 1.0 . 5.50 338 317 A 37 THR H A 36 CYS HBy 1.0 . 5.09 339 318 A 36 CYS HBy A 9 LYS HD2 1.0 . 5.45 340 318 A 36 CYS HBy A 9 LYS HD3 1.0 . 5.45 341 319 A 36 CYS H A 36 CYS HBy 1.0 . 3.48 342 320 A 12 ASN HD21 A 12 ASN HBy 1.0 . 3.42 343 321 A 12 ASN HD22 A 12 ASN HBy 1.0 . 3.96 344 322 A 48 TYR H A 48 TYR HBy 1.0 . 3.55 345 323 A 40 ASN HBx A 6 LYS HB2 1.0 . 5.22 346 323 A 40 ASN HBx A 6 LYS HB3 1.0 . 5.22 347 324 A 40 ASN HBx A 40 ASN HD21 1.0 . 3.82 348 325 A 34 LYS H A 33 ASN HBy 1.0 . 5.50 349 326 A 36 CYS HBx A 35 LYS HG2 1.0 . 5.03 350 326 A 36 CYS HBx A 35 LYS HG3 1.0 . 5.03 351 327 A 37 THR H A 36 CYS HBx 1.0 . 5.20 352 328 A 36 CYS H A 36 CYS HBx 1.0 . 3.54 353 329 A 41 ASN HBx A 40 ASN H 1.0 . 5.50 354 330 A 41 ASN HBx A 42 LYS H 1.0 . 3.54 355 331 A 41 ASN HBx A 55 ASP H 1.0 . 5.36 356 332 A 41 ASN HBx A 41 ASN HD21 1.0 . 3.86 357 333 A 41 ASN HBx A 42 LYS HG2 1.0 . 4.55 358 333 A 41 ASN HBx A 42 LYS HG3 1.0 . 4.55 359 334 A 49 ASN H A 48 TYR HBx 1.0 . 3.82 360 335 A 48 TYR H A 48 TYR HBx 1.0 . 3.50 361 336 A 14 CYS H A 14 CYS HBy 1.0 . 3.49 362 337 A 7 CYS HBx A 43 CYS HA 1.0 . 5.41 363 338 A 26 ILE H A 14 CYS HBy 1.0 . 4.68 364 339 A 15 LYS H A 14 CYS HBy 1.0 . 4.33 365 340 A 2 LYS HZ% A 3 TYR HBy 1.0 . 5.50 366 341 A 33 ASN H A 33 ASN HBx 1.0 . 4.16 367 342 A 34 LYS H A 33 ASN HBx 1.0 . 5.50 368 343 A 33 ASN HBx A 32 ASP HA 1.0 . 5.14 369 344 A 3 TYR HBy A 2 LYS HB2 1.0 . 3.39 370 344 A 2 LYS HB3 A 3 TYR HBy 1.0 . 3.39 371 345 A 28 CYS H A 28 CYS HBx 1.0 . 3.47 372 346 A 28 CYS HBx A 27 LYS HA 1.0 . 5.50 373 347 A 50 ASN H A 49 ASN HBy 1.0 . 5.37 374 348 A 51 ALA H A 49 ASN HBy 1.0 . 5.46 375 349 A 49 ASN HD21 A 49 ASN HBy 1.0 . 3.93 376 350 A 55 ASP HBy A 41 ASN HD21 1.0 . 4.96 377 351 A 42 LYS H A 55 ASP HBy 1.0 . 4.21 378 352 A 41 ASN HD22 A 55 ASP HBy 1.0 . 5.37 379 353 A 51 ALA H A 50 ASN HBx 1.0 . 5.50 380 354 A 14 CYS H A 25 PHE HB2 1.0 . 5.50 381 354 A 14 CYS H A 25 PHE HB3 1.0 . 5.50 382 355 A 15 LYS HGx A 25 PHE HB2 1.0 . 5.45 383 355 A 25 PHE HB3 A 15 LYS HGx 1.0 . 5.45 384 356 A 33 ASN H A 32 ASP HB2 1.0 . 4.67 385 356 A 33 ASN H A 32 ASP HB3 1.0 . 4.67 386 357 A 16 TYR HBy A 17 LYS H 1.0 . 3.59 387 358 A 42 LYS H A 55 ASP HBx 1.0 . 5.37 388 359 A 44 THR H A 55 ASP HBx 1.0 . 4.99 389 360 A 55 ASP H A 55 ASP HBx 1.0 . 4.06 390 361 A 53 ASP H A 53 ASP HBy 1.0 . 4.18 391 362 A 43 CYS H A 55 ASP HBx 1.0 . 5.36 392 363 A 41 ASN HD22 A 55 ASP HBx 1.0 . 4.57 393 364 A 32 ASP H A 32 ASP HB2 1.0 . 3.65 394 364 A 32 ASP H A 32 ASP HB3 1.0 . 3.65 395 365 A 24 THR HG2% A 18 ASN HBx 1.0 . 4.13 396 366 A 14 CYS H A 14 CYS HBx 1.0 . 3.71 397 367 A 18 ASN H A 18 ASN HBx 1.0 . 3.91 398 368 A 18 ASN HBx A 19 SER H 1.0 . 5.50 399 369 A 18 ASN HD21 A 18 ASN HBx 1.0 . 3.90 400 370 A 31 PHE HBx A 34 LYS HG2 1.0 . 5.38 401 370 A 31 PHE HBx A 34 LYS HG3 1.0 . 5.38 402 371 A 20 ALA H A 18 ASN HBx 1.0 . 4.92 403 372 A 31 PHE HBx A 34 LYS HBx 1.0 . 4.29 404 373 A 31 PHE H A 31 PHE HBx 1.0 . 3.59 405 374 A 39 ASP H A 39 ASP HB2 1.0 . 3.32 406 374 A 39 ASP H A 39 ASP HB3 1.0 . 3.32 407 375 A 40 ASN H A 39 ASP HB2 1.0 . 4.66 408 375 A 40 ASN H A 39 ASP HB3 1.0 . 4.66 409 376 A 9 LYS H A 39 ASP HB2 1.0 . 5.50 410 376 A 9 LYS H A 39 ASP HB3 1.0 . 5.50 411 377 A 49 ASN HBx A 51 ALA HB% 1.0 . 4.97 412 378 A 50 ASN H A 49 ASN HBx 1.0 . 5.50 413 379 A 51 ALA H A 49 ASN HBx 1.0 . 5.50 414 380 A 49 ASN HD21 A 49 ASN HBx 1.0 . 4.07 415 381 A 44 THR H A 53 ASP HBx 1.0 . 4.72 416 382 A 53 ASP H A 53 ASP HBx 1.0 . 3.79 417 383 A 24 THR H A 23 ASP HBy 1.0 . 5.36 418 384 A 23 ASP H A 23 ASP HBy 1.0 . 3.38 419 385 A 23 ASP HBy A 15 LYS HB2 1.0 . 5.32 420 385 A 23 ASP HBy A 15 LYS HB3 1.0 . 5.32 421 386 A 46 ASP H A 46 ASP HBx 1.0 . 3.81 422 387 A 50 ASN H A 46 ASP HBx 1.0 . 5.50 423 388 A 51 ALA H A 46 ASP HBx 1.0 . 4.49 424 389 A 49 ASN H A 46 ASP HBx 1.0 . 5.50 425 390 A 47 THR H A 46 ASP HBx 1.0 . 4.90 426 391 A 5 GLY HAy A 16 TYR HBx 1.0 . 4.34 427 392 A 24 THR H A 24 THR HB 1.0 . 3.67 428 393 A 25 PHE H A 24 THR HB 1.0 . 5.23 429 394 A 18 ASN HD21 A 24 THR HB 1.0 . 5.50 430 395 A 16 TYR H A 16 TYR HBx 1.0 . 4.16 431 396 A 5 GLY HAx A 16 TYR HBx 1.0 . 4.28 432 397 A 5 GLY H A 16 TYR HBx 1.0 . 5.33 433 398 A 17 LYS H A 16 TYR HBx 1.0 . 3.97 434 399 A 36 CYS HBx A 12 ASN HBx 1.0 . 5.10 435 400 A 12 ASN H A 12 ASN HBx 1.0 . 3.95 436 401 A 12 ASN HD21 A 12 ASN HBx 1.0 . 3.93 437 402 A 35 LYS H A 34 LYS HBy 1.0 . 5.33 438 403 A 31 PHE H A 34 LYS HBy 1.0 . 5.50 439 404 A 31 PHE HBx A 34 LYS HBy 1.0 . 5.50 440 405 A 13 GLU H A 13 GLU HGy 1.0 . 5.42 441 406 A 13 GLU HGy A 25 PHE HB2 1.0 . 5.07 442 406 A 25 PHE HB3 A 13 GLU HGy 1.0 . 5.07 443 407 A 11 LYS HBx A 13 GLU HGy 1.0 . 4.56 444 408 A 14 CYS H A 13 GLU HGy 1.0 . 5.26 445 409 A 13 GLU HGy A 11 LYS HBy 1.0 . 3.66 446 410 A 28 CYS H A 27 LYS HBy 1.0 . 4.05 447 411 A 27 LYS H A 27 LYS HBy 1.0 . 3.85 448 412 A 13 GLU HGx A 11 LYS HBy 1.0 . 4.20 449 413 A 14 CYS H A 13 GLU HGx 1.0 . 5.18 450 414 A 26 ILE H A 13 GLU HGx 1.0 . 5.50 451 415 A 13 GLU HGx A 25 PHE HB2 1.0 . 4.95 452 415 A 25 PHE HB3 A 13 GLU HGx 1.0 . 4.95 453 416 A 13 GLU H A 13 GLU HGx 1.0 . 5.50 454 417 A 53 ASP H A 52 VAL HB 1.0 . 5.08 455 418 A 52 VAL H A 52 VAL HB 1.0 . 3.60 456 419 A 3 TYR HBx A 45 VAL HG1% 1.0 . 4.88 457 419 A 3 TYR HBx A 45 VAL HG2% 1.0 . 4.88 458 420 A 24 THR HG2% A 23 ASP HBx 1.0 . 5.15 459 421 A 3 TYR H A 3 TYR HBx 1.0 . 3.87 460 422 A 4 THR H A 3 TYR HBx 1.0 . 4.70 461 423 A 24 THR H A 23 ASP HBx 1.0 . 4.51 462 424 A 23 ASP H A 23 ASP HBx 1.0 . 4.01 463 425 A 26 ILE H A 26 ILE HB 1.0 . 4.19 464 426 A 27 LYS H A 26 ILE HB 1.0 . 4.42 465 427 A 14 CYS H A 13 GLU HB2 1.0 . 4.26 466 427 A 14 CYS H A 13 GLU HB3 1.0 . 4.26 467 428 A 13 GLU HB3 A 25 PHE HB2 1.0 . 4.57 468 428 A 13 GLU HB2 A 25 PHE HB2 1.0 . 4.57 469 428 A 25 PHE HB3 A 13 GLU HB2 1.0 . 4.57 470 428 A 25 PHE HB3 A 13 GLU HB3 1.0 . 4.57 471 429 A 26 ILE H A 13 GLU HB2 1.0 . 5.34 472 429 A 26 ILE H A 13 GLU HB3 1.0 . 5.34 473 430 A 42 LYS H A 42 LYS HB2 1.0 . 3.00 474 430 A 42 LYS H A 42 LYS HB3 1.0 . 3.00 475 431 A 43 CYS H A 42 LYS HB2 1.0 . 3.97 476 431 A 43 CYS H A 42 LYS HB3 1.0 . 3.97 477 432 A 55 ASP HBy A 42 LYS HB2 1.0 . 4.64 478 432 A 55 ASP HBy A 42 LYS HB3 1.0 . 4.64 479 433 A 27 LYS H A 27 LYS HBx 1.0 . 3.34 480 434 A 6 LYS HA A 15 LYS HD2 1.0 . 5.50 481 434 A 15 LYS HD3 A 6 LYS HA 1.0 . 5.50 482 435 A 6 LYS H A 15 LYS HD2 1.0 . 4.71 483 435 A 15 LYS HD3 A 6 LYS H 1.0 . 4.71 484 436 A 41 ASN HBx A 42 LYS HB2 1.0 . 5.01 485 436 A 41 ASN HBx A 42 LYS HB3 1.0 . 5.01 486 437 A 55 ASP HBx A 42 LYS HB2 1.0 . 4.86 487 437 A 55 ASP HBx A 42 LYS HB3 1.0 . 4.86 488 438 A 15 LYS H A 15 LYS HD2 1.0 . 3.93 489 438 A 15 LYS H A 15 LYS HD3 1.0 . 3.93 490 439 A 10 SER H A 9 LYS HB2 1.0 . 4.73 491 440 A 9 LYS H A 9 LYS HB2 1.0 . 3.44 492 441 A 15 LYS HD2 A 25 PHE HB2 1.0 . 4.57 493 441 A 15 LYS HD3 A 25 PHE HB2 1.0 . 4.57 494 441 A 25 PHE HB3 A 15 LYS HD2 1.0 . 4.57 495 441 A 15 LYS HD3 A 25 PHE HB3 1.0 . 4.57 496 442 A 39 ASP H A 38 LYS HBy 1.0 . 4.43 497 443 A 10 SER HBy A 11 LYS HBy 1.0 . 5.24 498 444 A 38 LYS H A 38 LYS HBy 1.0 . 4.16 499 445 A 7 CYS HA A 15 LYS HD2 1.0 . 4.13 500 445 A 7 CYS HA A 15 LYS HD3 1.0 . 4.13 501 446 A 12 ASN H A 11 LYS HBy 1.0 . 4.62 502 447 A 13 GLU H A 11 LYS HBy 1.0 . 4.16 503 448 A 36 CYS H A 35 LYS HBy 1.0 . 3.36 504 449 A 17 LYS H A 17 LYS HBy 1.0 . 3.31 505 450 A 7 CYS H A 6 LYS HB2 1.0 . 4.46 506 450 A 7 CYS H A 6 LYS HB3 1.0 . 4.46 507 451 A 40 ASN H A 6 LYS HB2 1.0 . 5.26 508 451 A 40 ASN H A 6 LYS HB3 1.0 . 5.26 509 452 A 18 ASN H A 17 LYS HBy 1.0 . 5.18 510 453 A 40 ASN HBy A 6 LYS HB2 1.0 . 5.38 511 453 A 40 ASN HBy A 6 LYS HB3 1.0 . 5.38 512 454 A 7 CYS HA A 6 LYS HB2 1.0 . 4.85 513 454 A 7 CYS HA A 6 LYS HB3 1.0 . 4.85 514 455 A 28 CYS H A 27 LYS HG3 1.0 . 4.73 515 456 A 27 LYS H A 27 LYS HG3 1.0 . 4.00 516 457 A 34 LYS HBx A 31 PHE HBy 1.0 . 4.93 517 458 A 34 LYS H A 34 LYS HBx 1.0 . 3.82 518 459 A 31 PHE H A 34 LYS HBx 1.0 . 4.31 519 460 A 38 LYS HBx A 41 ASN HD21 1.0 . 5.30 520 461 A 38 LYS HBx A 41 ASN HBy 1.0 . 5.50 521 462 A 38 LYS HBx A 38 LYS H 1.0 . 4.16 522 463 A 9 LYS H A 9 LYS HD2 1.0 . 4.97 523 463 A 9 LYS H A 9 LYS HD3 1.0 . 4.97 524 464 A 31 PHE HBy A 30 LYS HB2 1.0 . 5.50 525 464 A 31 PHE HBy A 30 LYS HB3 1.0 . 5.50 526 465 A 41 ASN HBx A 38 LYS HBx 1.0 . 3.82 527 466 A 15 LYS HB3 A 25 PHE HB2 1.0 . 4.84 528 466 A 15 LYS HB2 A 25 PHE HB2 1.0 . 4.84 529 466 A 25 PHE HB3 A 15 LYS HB2 1.0 . 4.84 530 466 A 25 PHE HB3 A 15 LYS HB3 1.0 . 4.84 531 467 A 15 LYS HB2 A 15 LYS HD2 1.0 . 3.05 532 467 A 15 LYS HB3 A 15 LYS HD2 1.0 . 3.05 533 467 A 15 LYS HD3 A 15 LYS HB2 1.0 . 3.05 534 467 A 15 LYS HD3 A 15 LYS HB3 1.0 . 3.05 535 468 A 16 TYR H A 15 LYS HB2 1.0 . 5.04 536 468 A 16 TYR H A 15 LYS HB3 1.0 . 5.04 537 469 A 15 LYS H A 15 LYS HB2 1.0 . 3.81 538 469 A 15 LYS H A 15 LYS HB3 1.0 . 3.81 539 470 A 36 CYS H A 35 LYS HD2 1.0 . 5.50 540 470 A 36 CYS H A 35 LYS HD3 1.0 . 5.50 541 471 A 35 LYS H A 35 LYS HD2 1.0 . 5.10 542 471 A 35 LYS H A 35 LYS HD3 1.0 . 5.10 543 472 A 20 ALA HB% A 22 LYS HB2 1.0 . 3.13 544 472 A 20 ALA HB% A 22 LYS HB3 1.0 . 3.13 545 473 A 24 THR H A 15 LYS HB2 1.0 . 3.84 546 473 A 24 THR H A 15 LYS HB3 1.0 . 3.84 547 474 A 22 LYS H A 22 LYS HB2 1.0 . 3.59 548 474 A 22 LYS H A 22 LYS HB3 1.0 . 3.59 549 475 A 18 ASN HD21 A 22 LYS HB2 1.0 . 4.73 550 475 A 18 ASN HD21 A 22 LYS HB3 1.0 . 4.73 551 476 A 18 ASN HD22 A 22 LYS HB2 1.0 . 4.10 552 476 A 18 ASN HD22 A 22 LYS HB3 1.0 . 4.10 553 477 A 3 TYR H A 2 LYS HB2 1.0 . 5.42 554 477 A 3 TYR H A 2 LYS HB3 1.0 . 5.42 555 478 A 21 GLY H A 22 LYS HB2 1.0 . 5.50 556 478 A 21 GLY H A 22 LYS HB3 1.0 . 5.50 557 479 A 46 ASP HBx A 2 LYS HB2 1.0 . 5.50 558 479 A 2 LYS HB3 A 46 ASP HBx 1.0 . 5.50 559 480 A 17 LYS H A 17 LYS HBx 1.0 . 4.03 560 481 A 18 ASN H A 17 LYS HBx 1.0 . 4.89 561 482 A 41 ASN HBx A 38 LYS HG2 1.0 . 5.26 562 482 A 41 ASN HBx A 38 LYS HG3 1.0 . 5.26 563 483 A 31 PHE HBy A 34 LYS HG2 1.0 . 5.50 564 483 A 31 PHE HBy A 34 LYS HG3 1.0 . 5.50 565 484 A 34 LYS H A 34 LYS HG2 1.0 . 4.78 566 484 A 34 LYS H A 34 LYS HG3 1.0 . 4.78 567 485 A 7 CYS H A 6 LYS HGy 1.0 . 5.50 568 486 A 11 LYS HBx A 10 SER HBx 1.0 . 5.50 569 487 A 13 GLU H A 11 LYS HBx 1.0 . 5.24 570 488 A 12 ASN H A 11 LYS HBx 1.0 . 4.58 571 489 A 26 ILE H A 26 ILE HG12 1.0 . 5.50 572 489 A 26 ILE H A 26 ILE HG13 1.0 . 5.50 573 490 A 27 LYS H A 26 ILE HG12 1.0 . 3.83 574 490 A 27 LYS H A 26 ILE HG13 1.0 . 3.83 575 491 A 20 ALA HB% A 20 ALA H 1.0 . 3.45 576 492 A 20 ALA HB% A 18 ASN HD21 1.0 . 5.50 577 493 A 20 ALA HB% A 18 ASN HD22 1.0 . 4.56 578 494 A 20 ALA HB% A 21 GLY HAx 1.0 . 5.50 579 495 A 26 ILE HG2% A 26 ILE HG12 1.0 . 3.88 580 495 A 26 ILE HG2% A 26 ILE HG13 1.0 . 3.88 581 496 A 49 ASN HBy A 51 ALA HB% 1.0 . 5.29 582 497 A 52 VAL H A 51 ALA HB% 1.0 . 4.20 583 498 A 49 ASN H A 51 ALA HB% 1.0 . 5.50 584 499 A 51 ALA HB% A 49 ASN HD22 1.0 . 4.62 585 500 A 46 ASP HBx A 51 ALA HB% 1.0 . 4.53 586 501 A 46 ASP H A 51 ALA HB% 1.0 . 4.77 587 502 A 50 ASN H A 51 ALA HB% 1.0 . 5.50 588 503 A 51 ALA H A 51 ALA HB% 1.0 . 3.40 589 504 A 50 ASN HD21 A 51 ALA HB% 1.0 . 4.36 590 505 A 5 GLY H A 4 THR HG2% 1.0 . 4.07 591 506 A 36 CYS H A 35 LYS HBx 1.0 . 5.50 592 507 A 34 LYS H A 35 LYS HBx 1.0 . 5.23 593 508 A 33 ASN HBx A 51 ALA HB% 1.0 . 4.56 594 509 A 44 THR HG2% A 4 THR HG2% 1.0 . 4.26 595 510 A 35 LYS H A 35 LYS HBx 1.0 . 3.27 596 511 A 10 SER H A 8 THR HG1 1.0 . 4.91 597 512 A 9 LYS H A 8 THR HG1 1.0 . 3.37 598 513 A 8 THR HG1 A 8 THR H 1.0 . 4.60 599 514 A 8 THR HG1 A 12 ASN H 1.0 . 5.50 600 515 A 8 THR HG1 A 39 ASP HB2 1.0 . 5.50 601 515 A 8 THR HG1 A 39 ASP HB3 1.0 . 5.50 602 516 A 46 ASP HBy A 2 LYS HG2 1.0 . 5.50 603 516 A 46 ASP HBy A 2 LYS HG3 1.0 . 5.50 604 517 A 46 ASP HBx A 2 LYS HG2 1.0 . 5.50 605 517 A 46 ASP HBx A 2 LYS HG3 1.0 . 5.50 606 518 A 2 LYS HZ% A 2 LYS HG2 1.0 . 5.50 607 518 A 2 LYS HZ% A 2 LYS HG3 1.0 . 5.50 608 519 A 21 GLY H A 17 LYS HG2 1.0 . 5.50 609 519 A 21 GLY H A 17 LYS HG3 1.0 . 5.50 610 520 A 18 ASN H A 17 LYS HG2 1.0 . 5.50 611 520 A 18 ASN H A 17 LYS HG3 1.0 . 5.50 612 521 A 18 ASN HA A 17 LYS HG2 1.0 . 5.50 613 521 A 18 ASN HA A 17 LYS HG3 1.0 . 5.50 614 522 A 21 GLY HAx A 17 LYS HG2 1.0 . 5.00 615 522 A 21 GLY HAx A 17 LYS HG3 1.0 . 5.00 616 523 A 2 LYS H A 2 LYS HG2 1.0 . 4.66 617 523 A 2 LYS H A 2 LYS HG3 1.0 . 4.66 618 524 A 47 THR H A 2 LYS HG2 1.0 . 5.06 619 524 A 47 THR H A 2 LYS HG3 1.0 . 5.06 620 525 A 7 CYS HA A 6 LYS HGx 1.0 . 5.50 621 526 A 45 VAL HB A 3 TYR HBy 1.0 . 4.90 622 527 A 45 VAL H A 45 VAL HB 1.0 . 3.65 623 528 A 43 CYS H A 44 THR HG2% 1.0 . 5.50 624 529 A 44 THR HG2% A 45 VAL H 1.0 . 4.41 625 530 A 44 THR HG2% A 3 TYR HBy 1.0 . 5.32 626 531 A 44 THR HG2% A 53 ASP HBx 1.0 . 5.50 627 532 A 5 GLY H A 44 THR HG2% 1.0 . 5.40 628 533 A 44 THR HG2% A 3 TYR H 1.0 . 5.50 629 534 A 44 THR HG2% A 4 THR H 1.0 . 5.50 630 535 A 31 PHE H A 30 LYS HG2 1.0 . 4.65 631 535 A 31 PHE H A 30 LYS HG3 1.0 . 4.65 632 536 A 54 CYS HBy A 35 LYS HG2 1.0 . 5.50 633 536 A 54 CYS HBy A 35 LYS HG3 1.0 . 5.50 634 537 A 12 ASN HD21 A 30 LYS HG2 1.0 . 5.50 635 537 A 12 ASN HD21 A 30 LYS HG3 1.0 . 5.50 636 538 A 12 ASN HD22 A 30 LYS HG2 1.0 . 5.06 637 538 A 12 ASN HD22 A 30 LYS HG3 1.0 . 5.06 638 539 A 30 LYS HZ% A 30 LYS HG2 1.0 . 4.77 639 539 A 30 LYS HG3 A 30 LYS HZ% 1.0 . 4.77 640 540 A 36 CYS H A 35 LYS HG2 1.0 . 5.07 641 540 A 36 CYS H A 35 LYS HG3 1.0 . 5.07 642 541 A 34 LYS H A 35 LYS HG2 1.0 . 5.50 643 541 A 34 LYS H A 35 LYS HG3 1.0 . 5.50 644 542 A 35 LYS H A 35 LYS HG2 1.0 . 4.16 645 542 A 35 LYS H A 35 LYS HG3 1.0 . 4.16 646 543 A 54 CYS HBx A 35 LYS HG2 1.0 . 5.50 647 543 A 54 CYS HBx A 35 LYS HG3 1.0 . 5.50 648 544 A 26 ILE HG2% A 26 ILE H 1.0 . 3.69 649 545 A 24 THR HG2% A 18 ASN HD22 1.0 . 5.50 650 546 A 26 ILE HG2% A 14 CYS HBy 1.0 . 3.87 651 547 A 26 ILE HG2% A 25 PHE HB2 1.0 . 5.14 652 547 A 26 ILE HG2% A 25 PHE HB3 1.0 . 5.14 653 548 A 16 TYR H A 24 THR HG2% 1.0 . 5.39 654 549 A 24 THR HG2% A 18 ASN HD21 1.0 . 5.50 655 550 A 15 LYS HGy A 25 PHE HB2 1.0 . 4.81 656 550 A 25 PHE HB3 A 15 LYS HGy 1.0 . 4.81 657 551 A 15 LYS HGy A 23 ASP HBx 1.0 . 5.50 658 552 A 24 THR H A 15 LYS HGy 1.0 . 5.50 659 553 A 15 LYS H A 15 LYS HGy 1.0 . 5.50 660 554 A 46 ASP HBx A 45 VAL HG1% 1.0 . 5.50 661 554 A 45 VAL HG2% A 46 ASP HBx 1.0 . 5.50 662 555 A 47 THR H A 45 VAL HG1% 1.0 . 5.25 663 555 A 47 THR H A 45 VAL HG2% 1.0 . 5.25 664 556 A 3 TYR H A 45 VAL HG1% 1.0 . 5.40 665 556 A 3 TYR H A 45 VAL HG2% 1.0 . 5.40 666 557 A 46 ASP HBy A 45 VAL HG1% 1.0 . 5.50 667 557 A 46 ASP HBy A 45 VAL HG2% 1.0 . 5.50 668 558 A 3 TYR HBy A 45 VAL HG1% 1.0 . 5.50 669 558 A 45 VAL HG2% A 3 TYR HBy 1.0 . 5.50 670 559 A 15 LYS HGx A 23 ASP HBy 1.0 . 5.50 671 560 A 15 LYS H A 15 LYS HGx 1.0 . 5.50 672 561 A 15 LYS HGx A 23 ASP HBx 1.0 . 5.08 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 LYS C A 3 TYR N A 3 TYR CA A 3 TYR C 1.0 -144.743 -110.831 PHI 2 2 A 3 TYR N A 3 TYR CA A 3 TYR C A 4 THR N 1.0 135.906 160.248 PSI 3 3 A 3 TYR C A 4 THR N A 4 THR CA A 4 THR C 1.0 -129.199 -84.343 PHI 4 4 A 4 THR N A 4 THR CA A 4 THR C A 5 GLY N 1.0 117.245 137.769 PSI 5 5 A 4 THR C A 5 GLY N A 5 GLY CA A 5 GLY C 1.0 -145.685 -73.835 PHI 6 6 A 5 GLY N A 5 GLY CA A 5 GLY C A 6 LYS N 1.0 111.045 170.687 PSI 7 7 A 5 GLY C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -146.136 -116.068 PHI 8 8 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 CYS N 1.0 135.005 151.675 PSI 9 9 A 6 LYS C A 7 CYS N A 7 CYS CA A 7 CYS C 1.0 -144.025 -122.143 PHI 10 10 A 7 CYS N A 7 CYS CA A 7 CYS C A 8 THR N 1.0 133.367 162.419 PSI 11 11 A 7 CYS C A 8 THR N A 8 THR CA A 8 THR C 1.0 -131.742 -56.934 PHI 12 12 A 8 THR N A 8 THR CA A 8 THR C A 9 LYS N 1.0 121.221 193.681 PSI 13 13 A 8 THR C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -90.479 -50.345 PHI 14 14 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 SER N 1.0 -50.257 -9.619 PSI 15 15 A 9 LYS C A 10 SER N A 10 SER CA A 10 SER C 1.0 -75.233 -60.347 PHI 16 16 A 10 SER N A 10 SER CA A 10 SER C A 11 LYS N 1.0 -43.337 -27.031 PSI 17 17 A 10 SER C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -106.338 -76.638 PHI 18 18 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 ASN N 1.0 -13.595 5.313 PSI 19 19 A 11 LYS C A 12 ASN N A 12 ASN CA A 12 ASN C 1.0 49.554 64.432 PHI 20 20 A 12 ASN N A 12 ASN CA A 12 ASN C A 13 GLU N 1.0 35.602 58.858 PSI 21 21 A 12 ASN C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -146.953 -105.585 PHI 22 22 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 CYS N 1.0 126.657 166.215 PSI 23 23 A 13 GLU C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -177.048 -86.268 PHI 24 24 A 14 CYS N A 14 CYS CA A 14 CYS C A 15 LYS N 1.0 141.807 174.031 PSI 25 25 A 14 CYS C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -154.546 -111.860 PHI 26 26 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 TYR N 1.0 121.917 153.551 PSI 27 27 A 15 LYS C A 16 TYR N A 16 TYR CA A 16 TYR C 1.0 -146.681 -98.461 PHI 28 28 A 16 TYR N A 16 TYR CA A 16 TYR C A 17 LYS N 1.0 126.461 169.043 PSI 29 29 A 16 TYR C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -112.373 -87.161 PHI 30 30 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 ASN N 1.0 107.658 145.078 PSI 31 31 A 17 LYS C A 18 ASN N A 18 ASN CA A 18 ASN C 1.0 -126.270 -70.232 PHI 32 32 A 18 ASN N A 18 ASN CA A 18 ASN C A 19 SER N 1.0 140.848 190.476 PSI 33 33 A 18 ASN C A 19 SER N A 19 SER CA A 19 SER C 1.0 -70.611 -53.025 PHI 34 34 A 19 SER N A 19 SER CA A 19 SER C A 20 ALA N 1.0 -37.070 -0.304 PSI 35 35 A 20 ALA C A 21 GLY N A 21 GLY CA A 21 GLY C 1.0 76.543 104.123 PHI 36 36 A 21 GLY N A 21 GLY CA A 21 GLY C A 22 LYS N 1.0 -17.729 6.345 PSI 37 37 A 21 GLY C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -114.462 -74.814 PHI 38 38 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 ASP N 1.0 113.274 156.392 PSI 39 39 A 22 LYS C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -115.607 -46.937 PHI 40 40 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 THR N 1.0 114.773 141.643 PSI 41 41 A 23 ASP C A 24 THR N A 24 THR CA A 24 THR C 1.0 -119.979 -95.911 PHI 42 42 A 24 THR N A 24 THR CA A 24 THR C A 25 PHE N 1.0 122.896 137.544 PSI 43 43 A 24 THR C A 25 PHE N A 25 PHE CA A 25 PHE C 1.0 -132.250 -111.444 PHI 44 44 A 25 PHE N A 25 PHE CA A 25 PHE C A 26 ILE N 1.0 121.680 148.804 PSI 45 45 A 25 PHE C A 26 ILE N A 26 ILE CA A 26 ILE C 1.0 -149.808 -117.044 PHI 46 46 A 26 ILE N A 26 ILE CA A 26 ILE C A 27 LYS N 1.0 126.007 150.813 PSI 47 47 A 26 ILE C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -111.586 -55.704 PHI 48 48 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 CYS N 1.0 117.025 149.687 PSI 49 49 A 27 LYS C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -145.313 -118.947 PHI 50 50 A 28 CYS N A 28 CYS CA A 28 CYS C A 29 PRO N 1.0 115.624 148.780 PSI 51 51 A 29 PRO C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -107.233 -75.597 PHI 52 52 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 PHE N 1.0 -32.741 7.475 PSI 53 53 A 30 LYS C A 31 PHE N A 31 PHE CA A 31 PHE C 1.0 -167.439 -88.791 PHI 54 54 A 31 PHE N A 31 PHE CA A 31 PHE C A 32 ASP N 1.0 110.309 176.185 PSI 55 55 A 32 ASP C A 33 ASN N A 33 ASN CA A 33 ASN C 1.0 54.185 66.593 PHI 56 56 A 33 ASN N A 33 ASN CA A 33 ASN C A 34 LYS N 1.0 16.497 38.691 PSI 57 57 A 34 LYS C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -155.147 -96.525 PHI 58 58 A 35 LYS N A 35 LYS CA A 35 LYS C A 36 CYS N 1.0 135.927 157.827 PSI 59 59 A 35 LYS C A 36 CYS N A 36 CYS CA A 36 CYS C 1.0 -150.542 -127.794 PHI 60 60 A 36 CYS N A 36 CYS CA A 36 CYS C A 37 THR N 1.0 125.603 149.277 PSI 61 61 A 36 CYS C A 37 THR N A 37 THR CA A 37 THR C 1.0 -125.353 -53.487 PHI 62 62 A 37 THR N A 37 THR CA A 37 THR C A 38 LYS N 1.0 122.107 156.769 PSI 63 63 A 37 THR C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -146.764 -73.306 PHI 64 64 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 ASP N 1.0 112.711 181.875 PSI 65 65 A 38 LYS C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -63.193 -54.941 PHI 66 66 A 39 ASP N A 39 ASP CA A 39 ASP C A 40 ASN N 1.0 -44.595 -28.593 PSI 67 67 A 39 ASP C A 40 ASN N A 40 ASN CA A 40 ASN C 1.0 -69.304 -59.738 PHI 68 68 A 40 ASN N A 40 ASN CA A 40 ASN C A 41 ASN N 1.0 -47.535 -27.547 PSI 69 69 A 40 ASN C A 41 ASN N A 41 ASN CA A 41 ASN C 1.0 -75.506 -61.848 PHI 70 70 A 41 ASN N A 41 ASN CA A 41 ASN C A 42 LYS N 1.0 -50.827 -29.739 PSI 71 71 A 41 ASN C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -119.885 -74.251 PHI 72 72 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 CYS N 1.0 -46.377 7.745 PSI 73 73 A 42 LYS C A 43 CYS N A 43 CYS CA A 43 CYS C 1.0 -142.742 -108.802 PHI 74 74 A 43 CYS N A 43 CYS CA A 43 CYS C A 44 THR N 1.0 136.216 172.512 PSI 75 75 A 43 CYS C A 44 THR N A 44 THR CA A 44 THR C 1.0 -144.486 -113.402 PHI 76 76 A 44 THR N A 44 THR CA A 44 THR C A 45 VAL N 1.0 135.549 151.687 PSI 77 77 A 44 THR C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -143.247 -114.809 PHI 78 78 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 ASP N 1.0 116.851 145.089 PSI 79 79 A 45 VAL C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -138.618 -87.976 PHI 80 80 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 THR N 1.0 122.123 170.929 PSI 81 81 A 47 THR C A 48 TYR N A 48 TYR CA A 48 TYR C 1.0 -75.136 -56.102 PHI 82 82 A 48 TYR N A 48 TYR CA A 48 TYR C A 49 ASN N 1.0 -42.573 -26.253 PSI 83 83 A 48 TYR C A 49 ASN N A 49 ASN CA A 49 ASN C 1.0 -100.210 -85.396 PHI 84 84 A 49 ASN N A 49 ASN CA A 49 ASN C A 50 ASN N 1.0 -2.371 14.877 PSI 85 85 A 49 ASN C A 50 ASN N A 50 ASN CA A 50 ASN C 1.0 44.775 85.323 PHI 86 86 A 50 ASN N A 50 ASN CA A 50 ASN C A 51 ALA N 1.0 6.738 58.184 PSI 87 87 A 50 ASN C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -99.440 -70.274 PHI 88 88 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 VAL N 1.0 123.795 137.591 PSI 89 89 A 51 ALA C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -129.206 -93.676 PHI 90 90 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 ASP N 1.0 124.048 145.138 PSI 91 91 A 52 VAL C A 53 ASP N A 53 ASP CA A 53 ASP C 1.0 -134.491 -102.119 PHI 92 92 A 53 ASP N A 53 ASP CA A 53 ASP C A 54 CYS N 1.0 117.555 144.669 PSI 93 93 A 53 ASP C A 54 CYS N A 54 CYS CA A 54 CYS C 1.0 -141.471 -123.059 PHI 94 94 A 54 CYS N A 54 CYS CA A 54 CYS C A 55 ASP N 1.0 128.266 156.414 PSI stop_ save_