data_nef_c34392_6rc7 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6RC7 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 3 CYS SG 1 21 CYS SG 1 14 CYS SG 1 38 CYS SG 1 42 CYS SG 1 53 CYS SG 1 54 CYS SG 1 59 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 LEU start . . 2 A 2 LYS middle . . 3 A 3 CYS middle -HG . 4 A 4 ASN middle . . 5 A 5 LYS middle . . 6 A 6 LEU middle . . 7 A 7 ILE middle . . 8 A 8 PRO middle . false 9 A 9 LEU middle . . 10 A 10 ALA middle . . 11 A 11 TYR middle . . 12 A 12 LYS middle . . 13 A 13 THR middle . . 14 A 14 CYS middle -HG . 15 A 15 PRO middle . false 16 A 16 ALA middle . . 17 A 17 GLY middle . false 18 A 18 LYS middle . . 19 A 19 ASN middle . . 20 A 20 LEU middle . . 21 A 21 CYS middle -HG . 22 A 22 TYR middle . . 23 A 23 LYS middle . . 24 A 24 MET middle . . 25 A 25 PHE middle . . 26 A 26 MET middle . . 27 A 27 VAL middle . . 28 A 28 SER middle . . 29 A 29 ASN middle . . 30 A 30 LYS middle . . 31 A 31 THR middle . . 32 A 32 VAL middle . . 33 A 33 PRO middle . false 34 A 34 VAL middle . . 35 A 35 LYS middle . . 36 A 36 ARG middle . . 37 A 37 GLY middle . false 38 A 38 CYS middle -HG . 39 A 39 ILE middle . . 40 A 40 ASP middle . . 41 A 41 ALA middle . . 42 A 42 CYS middle -HG . 43 A 43 PRO middle . false 44 A 44 LYS middle . . 45 A 45 ASN middle . . 46 A 46 SER middle . . 47 A 47 LEU middle . . 48 A 48 LEU middle . . 49 A 49 VAL middle . . 50 A 50 LYS middle . . 51 A 51 TYR middle . . 52 A 52 VAL middle . . 53 A 53 CYS middle -HG . 54 A 54 CYS middle -HG . 55 A 55 ASN middle . . 56 A 56 THR middle . . 57 A 57 ASP middle . . 58 A 58 ARG middle . . 59 A 59 CYS middle -HG . 60 A 60 ASN 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 LEU HA H 1 4.162 0.020 A 1 LEU HB2 H 1 1.552 0.020 A 1 LEU HB3 H 1 1.552 0.020 A 1 LEU HD1% H 1 0.756 0.020 A 1 LEU HD2% H 1 0.812 0.020 A 1 LEU HG H 1 1.487 0.020 A 1 LEU CA C 13 52.212 0.050 A 1 LEU CB C 13 41.081 0.050 A 1 LEU CD1 C 13 19.028 0.050 A 1 LEU CD2 C 13 23.429 0.050 A 1 LEU CG C 13 24.123 0.050 A 2 LYS H H 1 8.582 0.020 A 2 LYS HA H 1 5.433 0.020 A 2 LYS HB2 H 1 1.369 0.020 A 2 LYS HB3 H 1 1.369 0.020 A 2 LYS HD2 H 1 1.300 0.020 A 2 LYS HD3 H 1 1.300 0.020 A 2 LYS HE2 H 1 2.856 0.020 A 2 LYS HE3 H 1 2.856 0.020 A 2 LYS HG2 H 1 1.401 0.020 A 2 LYS HG3 H 1 1.401 0.020 A 2 LYS CA C 13 51.906 0.050 A 2 LYS CB C 13 33.361 0.050 A 2 LYS CD C 13 27.206 0.050 A 2 LYS CE C 13 39.458 0.050 A 2 LYS CG C 13 22.238 0.050 A 2 LYS N N 15 125.974 0.050 A 3 CYS H H 1 8.796 0.020 A 3 CYS HA H 1 5.114 0.020 A 3 CYS HBx H 1 2.494 0.020 A 3 CYS HBy H 1 2.876 0.020 A 3 CYS CA C 13 49.424 0.050 A 3 CYS CB C 13 38.500 0.050 A 3 CYS N N 15 117.602 0.050 A 4 ASN H H 1 9.626 0.020 A 4 ASN HA H 1 4.962 0.020 A 4 ASN HBx H 1 2.220 0.020 A 4 ASN HBy H 1 2.852 0.020 A 4 ASN HD21 H 1 6.576 0.020 A 4 ASN HD22 H 1 7.498 0.020 A 4 ASN CA C 13 52.187 0.050 A 4 ASN CB C 13 36.125 0.050 A 4 ASN N N 15 121.876 0.050 A 5 LYS H H 1 7.782 0.020 A 5 LYS HA H 1 4.465 0.020 A 5 LYS HBx H 1 1.478 0.020 A 5 LYS HBy H 1 2.191 0.020 A 5 LYS HDx H 1 1.563 0.020 A 5 LYS HDy H 1 1.649 0.020 A 5 LYS HE2 H 1 2.925 0.020 A 5 LYS HE3 H 1 2.925 0.020 A 5 LYS HGx H 1 1.277 0.020 A 5 LYS HGy H 1 1.442 0.020 A 5 LYS CA C 13 52.206 0.050 A 5 LYS CB C 13 31.234 0.050 A 5 LYS CD C 13 26.792 0.050 A 5 LYS CE C 13 39.236 0.050 A 5 LYS CG C 13 22.994 0.050 A 5 LYS N N 15 118.631 0.050 A 6 LEU H H 1 8.297 0.020 A 6 LEU HA H 1 3.843 0.020 A 6 LEU HBx H 1 1.618 0.020 A 6 LEU HBy H 1 1.698 0.020 A 6 LEU HD1% H 1 0.744 0.020 A 6 LEU HD2% H 1 0.764 0.020 A 6 LEU HG H 1 1.610 0.020 A 6 LEU CA C 13 55.599 0.050 A 6 LEU CB C 13 40.216 0.050 A 6 LEU CD1 C 13 21.724 0.050 A 6 LEU CD2 C 13 22.358 0.050 A 6 LEU CG C 13 24.546 0.050 A 6 LEU N N 15 118.767 0.050 A 7 ILE H H 1 7.114 0.020 A 7 ILE HA H 1 4.340 0.020 A 7 ILE HB H 1 1.763 0.020 A 7 ILE HD1% H 1 0.855 0.020 A 7 ILE HG1x H 1 1.217 0.020 A 7 ILE HG1y H 1 1.532 0.020 A 7 ILE HG2% H 1 0.955 0.020 A 7 ILE CA C 13 55.723 0.050 A 7 ILE CB C 13 35.775 0.050 A 7 ILE CD1 C 13 10.056 0.050 A 7 ILE CG1 C 13 24.880 0.050 A 7 ILE CG2 C 13 14.581 0.050 A 7 ILE N N 15 117.826 0.050 A 8 PRO HA H 1 4.323 0.020 A 8 PRO HBx H 1 1.965 0.020 A 8 PRO HBy H 1 2.143 0.020 A 8 PRO HDx H 1 3.688 0.020 A 8 PRO HDy H 1 3.978 0.020 A 8 PRO HGx H 1 1.994 0.020 A 8 PRO HGy H 1 2.004 0.020 A 8 PRO CA C 13 62.382 0.050 A 8 PRO CB C 13 28.971 0.050 A 8 PRO CD C 13 48.624 0.050 A 8 PRO CG C 13 25.011 0.050 A 9 LEU H H 1 7.829 0.020 A 9 LEU HA H 1 3.980 0.020 A 9 LEU HBx H 1 1.667 0.020 A 9 LEU HBy H 1 1.966 0.020 A 9 LEU HD1% H 1 0.886 0.020 A 9 LEU HD2% H 1 0.905 0.020 A 9 LEU HG H 1 1.526 0.020 A 9 LEU CA C 13 54.269 0.050 A 9 LEU CB C 13 37.928 0.050 A 9 LEU CD1 C 13 20.464 0.050 A 9 LEU CD2 C 13 22.580 0.050 A 9 LEU CG C 13 24.919 0.050 A 9 LEU N N 15 111.999 0.050 A 10 ALA H H 1 7.847 0.020 A 10 ALA HA H 1 4.606 0.020 A 10 ALA HB% H 1 1.328 0.020 A 10 ALA CA C 13 48.725 0.050 A 10 ALA CB C 13 18.807 0.050 A 10 ALA N N 15 122.166 0.050 A 11 TYR H H 1 8.001 0.020 A 11 TYR HA H 1 5.253 0.020 A 11 TYR HBx H 1 2.627 0.020 A 11 TYR HBy H 1 2.964 0.020 A 11 TYR HD1 H 1 6.772 0.020 A 11 TYR HD2 H 1 6.772 0.020 A 11 TYR HE1 H 1 6.750 0.020 A 11 TYR HE2 H 1 6.750 0.020 A 11 TYR CA C 13 53.421 0.050 A 11 TYR CB C 13 38.348 0.050 A 11 TYR N N 15 116.157 0.050 A 12 LYS H H 1 8.994 0.020 A 12 LYS HA H 1 4.746 0.020 A 12 LYS HB2 H 1 1.730 0.020 A 12 LYS HB3 H 1 1.730 0.020 A 12 LYS HDx H 1 1.719 0.020 A 12 LYS HDy H 1 1.742 0.020 A 12 LYS HEx H 1 2.957 0.020 A 12 LYS HEy H 1 3.035 0.020 A 12 LYS HGx H 1 1.228 0.020 A 12 LYS HGy H 1 1.417 0.020 A 12 LYS CA C 13 51.681 0.050 A 12 LYS CB C 13 33.818 0.050 A 12 LYS CD C 13 26.908 0.050 A 12 LYS CE C 13 39.679 0.050 A 12 LYS CG C 13 21.129 0.050 A 12 LYS N N 15 118.311 0.050 A 13 THR H H 1 8.717 0.020 A 13 THR HA H 1 4.638 0.020 A 13 THR HB H 1 4.045 0.020 A 13 THR HG2% H 1 1.243 0.020 A 13 THR CA C 13 60.669 0.050 A 13 THR CB C 13 66.274 0.050 A 13 THR CG2 C 13 19.444 0.050 A 13 THR N N 15 120.625 0.050 A 14 CYS H H 1 9.160 0.020 A 14 CYS HA H 1 4.946 0.020 A 14 CYS HBx H 1 2.802 0.020 A 14 CYS HBy H 1 3.504 0.020 A 14 CYS CA C 13 49.431 0.050 A 14 CYS CB C 13 34.839 0.050 A 14 CYS N N 15 127.666 0.050 A 15 PRO HA H 1 4.590 0.020 A 15 PRO HBx H 1 1.964 0.020 A 15 PRO HBy H 1 2.377 0.020 A 15 PRO HDx H 1 3.441 0.020 A 15 PRO HDy H 1 3.943 0.020 A 15 PRO HGx H 1 1.875 0.020 A 15 PRO HGy H 1 2.160 0.020 A 15 PRO CA C 13 59.693 0.050 A 15 PRO CB C 13 30.013 0.050 A 15 PRO CD C 13 48.265 0.050 A 15 PRO CG C 13 24.845 0.050 A 16 ALA H H 1 8.408 0.020 A 16 ALA HA H 1 4.093 0.020 A 16 ALA HB% H 1 1.361 0.020 A 16 ALA CA C 13 51.255 0.050 A 16 ALA CB C 13 15.572 0.050 A 16 ALA N N 15 123.388 0.050 A 17 GLY H H 1 8.755 0.020 A 17 GLY HAx H 1 3.659 0.020 A 17 GLY HAy H 1 4.244 0.020 A 17 GLY CA C 13 42.444 0.050 A 17 GLY N N 15 109.993 0.050 A 18 LYS H H 1 7.591 0.020 A 18 LYS HA H 1 4.282 0.020 A 18 LYS HBx H 1 1.341 0.020 A 18 LYS HBy H 1 1.898 0.020 A 18 LYS HD2 H 1 1.378 0.020 A 18 LYS HD3 H 1 1.378 0.020 A 18 LYS HE2 H 1 2.941 0.020 A 18 LYS HE3 H 1 2.941 0.020 A 18 LYS HGx H 1 1.064 0.020 A 18 LYS HGy H 1 1.333 0.020 A 18 LYS CA C 13 53.068 0.050 A 18 LYS CB C 13 29.699 0.050 A 18 LYS CD C 13 27.267 0.050 A 18 LYS CE C 13 39.977 0.050 A 18 LYS CG C 13 23.304 0.050 A 18 LYS N N 15 120.332 0.050 A 19 ASN H H 1 7.847 0.020 A 19 ASN HA H 1 4.890 0.020 A 19 ASN HBx H 1 2.619 0.020 A 19 ASN HBy H 1 2.968 0.020 A 19 ASN HD21 H 1 6.921 0.020 A 19 ASN HD22 H 1 7.458 0.020 A 19 ASN CA C 13 50.596 0.050 A 19 ASN CB C 13 37.107 0.050 A 19 ASN N N 15 118.788 0.050 A 20 LEU H H 1 8.157 0.020 A 20 LEU HA H 1 4.780 0.020 A 20 LEU HBx H 1 1.409 0.020 A 20 LEU HBy H 1 1.586 0.020 A 20 LEU HD1% H 1 0.723 0.020 A 20 LEU HD2% H 1 0.842 0.020 A 20 LEU HG H 1 1.494 0.020 A 20 LEU CA C 13 51.721 0.050 A 20 LEU CB C 13 43.883 0.050 A 20 LEU CD1 C 13 23.976 0.050 A 20 LEU CD2 C 13 21.719 0.050 A 20 LEU CG C 13 24.160 0.050 A 20 LEU N N 15 119.295 0.050 A 21 CYS H H 1 8.964 0.020 A 21 CYS HA H 1 6.090 0.020 A 21 CYS HBx H 1 2.960 0.020 A 21 CYS HBy H 1 3.041 0.020 A 21 CYS CA C 13 49.316 0.050 A 21 CYS CB C 13 36.279 0.050 A 21 CYS N N 15 115.481 0.050 A 22 TYR H H 1 9.070 0.020 A 22 TYR HA H 1 6.089 0.020 A 22 TYR HBx H 1 3.006 0.020 A 22 TYR HBy H 1 3.119 0.020 A 22 TYR HD1 H 1 6.670 0.020 A 22 TYR HD2 H 1 6.670 0.020 A 22 TYR HE1 H 1 6.594 0.020 A 22 TYR HE2 H 1 6.594 0.020 A 22 TYR CA C 13 53.614 0.050 A 22 TYR CB C 13 41.745 0.050 A 22 TYR N N 15 115.829 0.050 A 23 LYS H H 1 8.981 0.020 A 23 LYS HA H 1 4.732 0.020 A 23 LYS HBx H 1 1.547 0.020 A 23 LYS HBy H 1 1.639 0.020 A 23 LYS HDx H 1 1.662 0.020 A 23 LYS HDy H 1 1.741 0.020 A 23 LYS HE2 H 1 2.718 0.020 A 23 LYS HE3 H 1 2.718 0.020 A 23 LYS HGx H 1 1.408 0.020 A 23 LYS HGy H 1 1.446 0.020 A 23 LYS HZ1 H 1 7.748 0.020 A 23 LYS HZ2 H 1 7.748 0.020 A 23 LYS HZ3 H 1 7.748 0.020 A 23 LYS CA C 13 52.809 0.050 A 23 LYS CB C 13 34.219 0.050 A 23 LYS CD C 13 27.389 0.050 A 23 LYS CE C 13 39.447 0.050 A 23 LYS CG C 13 22.177 0.050 A 23 LYS N N 15 120.148 0.050 A 24 MET H H 1 8.127 0.020 A 24 MET HA H 1 5.102 0.020 A 24 MET HBx H 1 1.667 0.020 A 24 MET HBy H 1 1.765 0.020 A 24 MET HGx H 1 1.510 0.020 A 24 MET HGy H 1 1.651 0.020 A 24 MET CA C 13 51.325 0.050 A 24 MET CB C 13 36.002 0.050 A 24 MET CG C 13 30.009 0.050 A 24 MET N N 15 122.913 0.050 A 25 PHE H H 1 9.335 0.020 A 25 PHE HA H 1 4.918 0.020 A 25 PHE HBx H 1 2.626 0.020 A 25 PHE HBy H 1 3.059 0.020 A 25 PHE HD1 H 1 6.943 0.020 A 25 PHE HD2 H 1 6.943 0.020 A 25 PHE HE1 H 1 6.986 0.020 A 25 PHE HE2 H 1 6.986 0.020 A 25 PHE HZ H 1 7.171 0.020 A 25 PHE CA C 13 53.752 0.050 A 25 PHE CB C 13 39.504 0.050 A 25 PHE N N 15 124.635 0.050 A 26 MET H H 1 9.221 0.020 A 26 MET HA H 1 5.146 0.020 A 26 MET HBx H 1 1.954 0.020 A 26 MET HBy H 1 2.310 0.020 A 26 MET HGx H 1 2.603 0.020 A 26 MET HGy H 1 2.755 0.020 A 26 MET CA C 13 51.650 0.050 A 26 MET CB C 13 29.539 0.050 A 26 MET CG C 13 29.746 0.050 A 26 MET N N 15 119.697 0.050 A 27 VAL H H 1 8.313 0.020 A 27 VAL HA H 1 3.637 0.020 A 27 VAL HB H 1 2.079 0.020 A 27 VAL HG1% H 1 0.960 0.020 A 27 VAL HG2% H 1 0.960 0.020 A 27 VAL CA C 13 63.124 0.050 A 27 VAL CB C 13 29.174 0.050 A 27 VAL CG1 C 13 18.650 0.050 A 27 VAL CG2 C 13 19.362 0.050 A 27 VAL N N 15 122.541 0.050 A 28 SER H H 1 7.884 0.020 A 28 SER HA H 1 4.284 0.020 A 28 SER HBx H 1 3.839 0.020 A 28 SER HBy H 1 4.029 0.020 A 28 SER CA C 13 56.447 0.050 A 28 SER CB C 13 60.737 0.050 A 28 SER N N 15 112.006 0.050 A 29 ASN H H 1 7.890 0.020 A 29 ASN HA H 1 4.789 0.020 A 29 ASN HBx H 1 2.715 0.020 A 29 ASN HBy H 1 2.985 0.020 A 29 ASN HD21 H 1 6.764 0.020 A 29 ASN HD22 H 1 7.620 0.020 A 29 ASN CA C 13 50.815 0.050 A 29 ASN CB C 13 36.021 0.050 A 29 ASN N N 15 119.810 0.050 A 30 LYS H H 1 8.604 0.020 A 30 LYS HA H 1 4.022 0.020 A 30 LYS HBx H 1 1.621 0.020 A 30 LYS HBy H 1 1.735 0.020 A 30 LYS HD2 H 1 1.570 0.020 A 30 LYS HD3 H 1 1.570 0.020 A 30 LYS HE2 H 1 2.942 0.020 A 30 LYS HE3 H 1 2.942 0.020 A 30 LYS HGx H 1 1.304 0.020 A 30 LYS HGy H 1 1.333 0.020 A 30 LYS CA C 13 55.416 0.050 A 30 LYS CB C 13 29.788 0.050 A 30 LYS CD C 13 26.799 0.050 A 30 LYS CE C 13 39.535 0.050 A 30 LYS CG C 13 22.354 0.050 A 30 LYS N N 15 121.825 0.050 A 31 THR H H 1 8.007 0.020 A 31 THR HA H 1 4.284 0.020 A 31 THR HB H 1 4.366 0.020 A 31 THR HG2% H 1 1.145 0.020 A 31 THR CA C 13 60.216 0.050 A 31 THR CB C 13 67.099 0.050 A 31 THR CG2 C 13 19.452 0.050 A 31 THR N N 15 108.910 0.050 A 32 VAL H H 1 7.330 0.020 A 32 VAL HA H 1 4.644 0.020 A 32 VAL HB H 1 1.989 0.020 A 32 VAL HG1% H 1 0.929 0.020 A 32 VAL HG2% H 1 0.935 0.020 A 32 VAL CA C 13 56.903 0.050 A 32 VAL CB C 13 31.520 0.050 A 32 VAL CG1 C 13 18.262 0.050 A 32 VAL CG2 C 13 18.203 0.050 A 32 VAL N N 15 122.357 0.050 A 33 PRO HA H 1 4.194 0.020 A 33 PRO HBx H 1 1.408 0.020 A 33 PRO HBy H 1 1.542 0.020 A 33 PRO HDx H 1 3.837 0.020 A 33 PRO HDy H 1 3.939 0.020 A 33 PRO HGx H 1 1.701 0.020 A 33 PRO HGy H 1 1.916 0.020 A 33 PRO CA C 13 60.282 0.050 A 33 PRO CB C 13 29.386 0.050 A 33 PRO CD C 13 48.326 0.050 A 33 PRO CG C 13 24.469 0.050 A 34 VAL H H 1 8.737 0.020 A 34 VAL HA H 1 4.296 0.020 A 34 VAL HB H 1 2.146 0.020 A 34 VAL HG1% H 1 0.899 0.020 A 34 VAL HG2% H 1 1.006 0.020 A 34 VAL CA C 13 59.393 0.050 A 34 VAL CB C 13 30.570 0.050 A 34 VAL CG1 C 13 17.928 0.050 A 34 VAL CG2 C 13 19.446 0.050 A 34 VAL N N 15 115.043 0.050 A 35 LYS H H 1 7.288 0.020 A 35 LYS HA H 1 4.525 0.020 A 35 LYS HBx H 1 1.669 0.020 A 35 LYS HBy H 1 1.981 0.020 A 35 LYS HDx H 1 1.787 0.020 A 35 LYS HDy H 1 1.853 0.020 A 35 LYS HE2 H 1 3.021 0.020 A 35 LYS HE3 H 1 3.021 0.020 A 35 LYS HGx H 1 1.514 0.020 A 35 LYS HGy H 1 1.568 0.020 A 35 LYS CA C 13 53.754 0.050 A 35 LYS CB C 13 36.065 0.050 A 35 LYS CD C 13 27.149 0.050 A 35 LYS CE C 13 39.887 0.050 A 35 LYS CG C 13 23.940 0.050 A 35 LYS N N 15 116.982 0.050 A 36 ARG H H 1 8.197 0.020 A 36 ARG HA H 1 4.356 0.020 A 36 ARG HBx H 1 1.115 0.020 A 36 ARG HBy H 1 1.461 0.020 A 36 ARG HDx H 1 2.850 0.020 A 36 ARG HDy H 1 2.932 0.020 A 36 ARG HE H 1 8.056 0.020 A 36 ARG HG2 H 1 1.382 0.020 A 36 ARG HG3 H 1 1.382 0.020 A 36 ARG CA C 13 53.285 0.050 A 36 ARG CB C 13 33.947 0.050 A 36 ARG CD C 13 41.883 0.050 A 36 ARG CG C 13 33.371 0.050 A 36 ARG N N 15 121.775 0.050 A 37 GLY H H 1 6.716 0.020 A 37 GLY HAx H 1 3.934 0.020 A 37 GLY HAy H 1 4.264 0.020 A 37 GLY CA C 13 43.989 0.050 A 37 GLY N N 15 106.851 0.050 A 38 CYS H H 1 8.738 0.020 A 38 CYS HA H 1 5.915 0.020 A 38 CYS HBx H 1 2.916 0.020 A 38 CYS HBy H 1 3.473 0.020 A 38 CYS CA C 13 53.725 0.050 A 38 CYS CB C 13 44.803 0.050 A 38 CYS N N 15 121.138 0.050 A 39 ILE H H 1 9.734 0.020 A 39 ILE HA H 1 4.374 0.020 A 39 ILE HB H 1 1.617 0.020 A 39 ILE HD1% H 1 0.248 0.020 A 39 ILE HG1x H 1 1.379 0.020 A 39 ILE HG1y H 1 1.587 0.020 A 39 ILE HG2% H 1 0.471 0.020 A 39 ILE CA C 13 59.499 0.050 A 39 ILE CB C 13 40.360 0.050 A 39 ILE CD1 C 13 11.563 0.050 A 39 ILE CG1 C 13 27.275 0.050 A 39 ILE CG2 C 13 13.860 0.050 A 39 ILE N N 15 122.504 0.050 A 40 ASP H H 1 8.544 0.020 A 40 ASP HA H 1 4.786 0.020 A 40 ASP HBx H 1 2.703 0.020 A 40 ASP HBy H 1 2.728 0.020 A 40 ASP CA C 13 52.117 0.050 A 40 ASP CB C 13 37.959 0.050 A 40 ASP N N 15 118.750 0.050 A 41 ALA H H 1 7.496 0.020 A 41 ALA HA H 1 4.280 0.020 A 41 ALA HB% H 1 1.126 0.020 A 41 ALA CA C 13 48.437 0.050 A 41 ALA CB C 13 18.305 0.050 A 41 ALA N N 15 122.661 0.050 A 42 CYS H H 1 9.086 0.020 A 42 CYS HA H 1 4.502 0.020 A 42 CYS HBx H 1 2.724 0.020 A 42 CYS HBy H 1 3.060 0.020 A 42 CYS CA C 13 52.424 0.050 A 42 CYS CB C 13 39.425 0.050 A 42 CYS N N 15 126.279 0.050 A 43 PRO HA H 1 4.069 0.020 A 43 PRO HBx H 1 0.559 0.020 A 43 PRO HBy H 1 1.816 0.020 A 43 PRO HDx H 1 2.323 0.020 A 43 PRO HDy H 1 3.872 0.020 A 43 PRO HGx H 1 0.683 0.020 A 43 PRO HGy H 1 1.215 0.020 A 43 PRO CA C 13 59.422 0.050 A 43 PRO CB C 13 28.756 0.050 A 43 PRO CD C 13 48.381 0.050 A 43 PRO CG C 13 24.990 0.050 A 44 LYS H H 1 7.858 0.020 A 44 LYS HA H 1 4.145 0.020 A 44 LYS HBx H 1 1.684 0.020 A 44 LYS HBy H 1 1.802 0.020 A 44 LYS HD2 H 1 1.696 0.020 A 44 LYS HD3 H 1 1.696 0.020 A 44 LYS HE2 H 1 3.017 0.020 A 44 LYS HE3 H 1 3.017 0.020 A 44 LYS HG2 H 1 1.526 0.020 A 44 LYS HG3 H 1 1.526 0.020 A 44 LYS CA C 13 53.436 0.050 A 44 LYS CB C 13 30.671 0.050 A 44 LYS CD C 13 26.569 0.050 A 44 LYS CE C 13 39.760 0.050 A 44 LYS CG C 13 22.364 0.050 A 44 LYS N N 15 118.707 0.050 A 45 ASN H H 1 8.424 0.020 A 45 ASN HA H 1 4.944 0.020 A 45 ASN HBx H 1 2.866 0.020 A 45 ASN HBy H 1 3.118 0.020 A 45 ASN HD21 H 1 7.409 0.020 A 45 ASN HD22 H 1 7.622 0.020 A 45 ASN CA C 13 51.212 0.050 A 45 ASN CB C 13 36.805 0.050 A 45 ASN N N 15 120.769 0.050 A 46 SER H H 1 9.043 0.020 A 46 SER HA H 1 4.990 0.020 A 46 SER HBx H 1 3.964 0.020 A 46 SER HBy H 1 4.425 0.020 A 46 SER CA C 13 53.710 0.050 A 46 SER CB C 13 64.096 0.050 A 46 SER N N 15 117.823 0.050 A 47 LEU H H 1 8.327 0.020 A 47 LEU HA H 1 4.183 0.020 A 47 LEU HBx H 1 1.610 0.020 A 47 LEU HBy H 1 1.742 0.020 A 47 LEU HD1% H 1 0.912 0.020 A 47 LEU HD2% H 1 0.957 0.020 A 47 LEU HG H 1 1.714 0.020 A 47 LEU CA C 13 55.159 0.050 A 47 LEU CB C 13 39.573 0.050 A 47 LEU CD1 C 13 21.044 0.050 A 47 LEU CD2 C 13 22.162 0.050 A 47 LEU CG C 13 24.675 0.050 A 47 LEU N N 15 118.462 0.050 A 48 LEU H H 1 8.099 0.020 A 48 LEU HA H 1 4.523 0.020 A 48 LEU HBx H 1 1.667 0.020 A 48 LEU HBy H 1 1.721 0.020 A 48 LEU HD1% H 1 0.841 0.020 A 48 LEU HD2% H 1 0.906 0.020 A 48 LEU HG H 1 1.653 0.020 A 48 LEU CA C 13 53.145 0.050 A 48 LEU CB C 13 42.154 0.050 A 48 LEU CD1 C 13 20.455 0.050 A 48 LEU CD2 C 13 22.506 0.050 A 48 LEU CG C 13 24.728 0.050 A 48 LEU N N 15 114.507 0.050 A 49 VAL H H 1 7.439 0.020 A 49 VAL HA H 1 4.902 0.020 A 49 VAL HB H 1 1.859 0.020 A 49 VAL HG1% H 1 0.740 0.020 A 49 VAL HG2% H 1 0.866 0.020 A 49 VAL CA C 13 58.125 0.050 A 49 VAL CB C 13 32.956 0.050 A 49 VAL CG1 C 13 19.903 0.050 A 49 VAL CG2 C 13 17.780 0.050 A 49 VAL N N 15 117.716 0.050 A 50 LYS H H 1 8.601 0.020 A 50 LYS HA H 1 4.799 0.020 A 50 LYS HBx H 1 1.413 0.020 A 50 LYS HBy H 1 1.598 0.020 A 50 LYS HDx H 1 1.577 0.020 A 50 LYS HDy H 1 1.618 0.020 A 50 LYS HEx H 1 2.790 0.020 A 50 LYS HEy H 1 2.871 0.020 A 50 LYS HGx H 1 1.123 0.020 A 50 LYS HGy H 1 1.381 0.020 A 50 LYS CA C 13 50.982 0.050 A 50 LYS CB C 13 33.773 0.050 A 50 LYS CD C 13 26.598 0.050 A 50 LYS CE C 13 40.001 0.050 A 50 LYS CG C 13 22.599 0.050 A 50 LYS N N 15 122.405 0.050 A 51 TYR H H 1 9.012 0.020 A 51 TYR HA H 1 5.362 0.020 A 51 TYR HBx H 1 2.765 0.020 A 51 TYR HBy H 1 2.920 0.020 A 51 TYR HD1 H 1 6.892 0.020 A 51 TYR HD2 H 1 6.892 0.020 A 51 TYR HE1 H 1 6.578 0.020 A 51 TYR HE2 H 1 6.578 0.020 A 51 TYR CA C 13 54.835 0.050 A 51 TYR CB C 13 39.748 0.050 A 51 TYR N N 15 120.946 0.050 A 52 VAL H H 1 8.886 0.020 A 52 VAL HA H 1 4.550 0.020 A 52 VAL HB H 1 2.027 0.020 A 52 VAL HG1% H 1 1.035 0.020 A 52 VAL HG2% H 1 1.138 0.020 A 52 VAL CA C 13 59.763 0.050 A 52 VAL CB C 13 32.377 0.050 A 52 VAL CG1 C 13 18.538 0.050 A 52 VAL CG2 C 13 18.538 0.050 A 52 VAL N N 15 121.709 0.050 A 53 CYS H H 1 9.449 0.020 A 53 CYS HA H 1 5.817 0.020 A 53 CYS HBx H 1 3.063 0.020 A 53 CYS HBy H 1 3.737 0.020 A 53 CYS CA C 13 52.314 0.050 A 53 CYS CB C 13 46.744 0.050 A 53 CYS N N 15 125.391 0.050 A 54 CYS H H 1 9.194 0.020 A 54 CYS HA H 1 5.083 0.020 A 54 CYS HBx H 1 3.417 0.020 A 54 CYS HBy H 1 3.618 0.020 A 54 CYS CA C 13 52.820 0.050 A 54 CYS CB C 13 43.559 0.050 A 54 CYS N N 15 118.572 0.050 A 55 ASN H H 1 8.565 0.020 A 55 ASN HA H 1 5.118 0.020 A 55 ASN HBx H 1 2.630 0.020 A 55 ASN HBy H 1 3.345 0.020 A 55 ASN HD21 H 1 6.704 0.020 A 55 ASN HD22 H 1 7.492 0.020 A 55 ASN CA C 13 50.557 0.050 A 55 ASN CB C 13 37.353 0.050 A 55 ASN N N 15 118.795 0.050 A 55 ASN ND2 N 15 109.779 0.050 A 56 THR H H 1 7.551 0.020 A 56 THR HA H 1 4.676 0.020 A 56 THR HB H 1 4.270 0.020 A 56 THR HG2% H 1 1.180 0.020 A 56 THR CA C 13 57.594 0.050 A 56 THR CB C 13 69.446 0.050 A 56 THR CG2 C 13 19.366 0.050 A 56 THR N N 15 110.373 0.050 A 57 ASP H H 1 8.206 0.020 A 57 ASP HA H 1 4.797 0.020 A 57 ASP HBx H 1 2.264 0.020 A 57 ASP HBy H 1 2.477 0.020 A 57 ASP CA C 13 53.285 0.050 A 57 ASP CB C 13 38.948 0.050 A 57 ASP N N 15 118.347 0.050 A 58 ARG H H 1 9.652 0.020 A 58 ARG HA H 1 3.380 0.020 A 58 ARG HBx H 1 0.814 0.020 A 58 ARG HBy H 1 1.312 0.020 A 58 ARG HDx H 1 2.304 0.020 A 58 ARG HDy H 1 2.718 0.020 A 58 ARG HE H 1 7.523 0.020 A 58 ARG HGx H 1 1.710 0.020 A 58 ARG HGy H 1 2.164 0.020 A 58 ARG CA C 13 55.545 0.050 A 58 ARG CB C 13 25.459 0.050 A 58 ARG CD C 13 40.571 0.050 A 58 ARG CG C 13 24.668 0.050 A 58 ARG N N 15 114.565 0.050 A 59 CYS H H 1 7.568 0.020 A 59 CYS HA H 1 4.438 0.020 A 59 CYS HBx H 1 3.334 0.020 A 59 CYS HBy H 1 3.624 0.020 A 59 CYS CA C 13 53.907 0.050 A 59 CYS CB C 13 43.581 0.050 A 59 CYS N N 15 111.774 0.050 A 60 ASN H H 1 8.979 0.020 A 60 ASN HA H 1 4.350 0.020 A 60 ASN HBx H 1 2.315 0.020 A 60 ASN HBy H 1 2.712 0.020 A 60 ASN HD21 H 1 7.464 0.020 A 60 ASN HD22 H 1 7.660 0.020 A 60 ASN CA C 13 51.946 0.050 A 60 ASN CB C 13 37.380 0.050 A 60 ASN N N 15 126.777 0.050 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 1 LEU HG A 1 LEU HA 1.0 . 3.73 2 2 A 1 LEU HA A 1 LEU HB2 1.0 . 3.38 3 2 A 1 LEU HA A 1 LEU HB3 1.0 . 3.38 4 3 A 1 LEU HA A 1 LEU HD1% 1.0 . 3.53 5 4 A 1 LEU HA A 1 LEU HD2% 1.0 . 3.80 6 5 A 1 LEU HA A 2 LYS H 1.0 . 2.50 7 6 A 1 LEU HG A 2 LYS H 1.0 . 3.25 8 7 A 2 LYS H A 1 LEU HB2 1.0 . 5.90 9 7 A 1 LEU HB3 A 2 LYS H 1.0 . 5.90 10 8 A 1 LEU HD1% A 2 LYS H 1.0 . 3.74 11 9 A 2 LYS H A 2 LYS HA 1.0 . 3.61 12 10 A 2 LYS HA A 2 LYS HB2 1.0 . 3.86 13 10 A 2 LYS HA A 2 LYS HB3 1.0 . 3.86 14 11 A 2 LYS HA A 2 LYS HD2 1.0 . 6.38 15 11 A 2 LYS HA A 2 LYS HD3 1.0 . 6.38 16 12 A 2 LYS HA A 3 CYS H 1.0 . 2.50 17 13 A 3 CYS HBx A 3 CYS HA 1.0 . 2.92 18 14 A 3 CYS H A 3 CYS HA 1.0 . 3.49 19 15 A 3 CYS H A 3 CYS HBx 1.0 . 3.10 20 16 A 3 CYS HA A 4 ASN H 1.0 . 2.59 21 17 A 3 CYS HBx A 4 ASN H 1.0 . 4.54 22 18 A 4 ASN H A 3 CYS HBy 1.0 . 2.92 23 19 A 4 ASN HBx A 4 ASN HA 1.0 . 2.95 24 20 A 4 ASN HBx A 4 ASN HD21 1.0 . 4.69 25 21 A 4 ASN HBx A 4 ASN HD22 1.0 . 2.92 26 22 A 4 ASN HD22 A 4 ASN HBy 1.0 . 4.39 27 23 A 4 ASN HD21 A 4 ASN HD22 1.0 . 2.50 28 24 A 4 ASN H A 4 ASN HA 1.0 . 3.61 29 25 A 4 ASN H A 4 ASN HBx 1.0 . 2.68 30 26 A 4 ASN H A 4 ASN HD22 1.0 . 5.20 31 27 A 4 ASN HA A 5 LYS H 1.0 . 2.50 32 28 A 4 ASN HBy A 5 LYS H 1.0 . 3.19 33 29 A 5 LYS HBy A 5 LYS HA 1.0 . 2.50 34 30 A 5 LYS HA A 5 LYS HDy 1.0 . 2.74 35 31 A 5 LYS HA A 5 LYS HGx 1.0 . 2.50 36 32 A 5 LYS H A 5 LYS HA 1.0 . 3.04 37 33 A 5 LYS H A 5 LYS HBx 1.0 . 2.86 38 34 A 5 LYS H A 5 LYS HBy 1.0 . 3.46 39 35 A 5 LYS H A 5 LYS HGx 1.0 . 3.52 40 36 A 5 LYS H A 5 LYS HGy 1.0 . 3.19 41 37 A 5 LYS HA A 6 LEU H 1.0 . 2.77 42 38 A 5 LYS HBx A 6 LEU H 1.0 . 3.01 43 39 A 5 LYS HBy A 6 LEU H 1.0 . 2.50 44 40 A 6 LEU HBy A 6 LEU HA 1.0 . 5.50 45 41 A 6 LEU H A 6 LEU HA 1.0 . 3.01 46 42 A 6 LEU H A 6 LEU HBy 1.0 . 2.86 47 43 A 6 LEU HA A 6 LEU HD1% 1.0 . 3.89 48 44 A 6 LEU H A 6 LEU HD1% 1.0 . 5.48 49 45 A 6 LEU HA A 6 LEU HD2% 1.0 . 4.58 50 46 A 5 LYS HBx A 7 ILE H 1.0 . 3.40 51 47 A 5 LYS HBy A 7 ILE H 1.0 . 3.25 52 48 A 6 LEU HA A 7 ILE H 1.0 . 3.64 53 49 A 7 ILE H A 6 LEU HBx 1.0 . 3.52 54 50 A 6 LEU HBy A 7 ILE H 1.0 . 3.10 55 51 A 6 LEU H A 7 ILE H 1.0 . 2.98 56 52 A 7 ILE HB A 7 ILE HA 1.0 . 3.25 57 53 A 7 ILE HA A 7 ILE HG1x 1.0 . 2.50 58 54 A 7 ILE H A 7 ILE HA 1.0 . 3.10 59 55 A 7 ILE H A 7 ILE HB 1.0 . 2.65 60 56 A 7 ILE H A 7 ILE HG1x 1.0 . 3.67 61 57 A 7 ILE H A 7 ILE HG1y 1.0 . 3.64 62 58 A 7 ILE HA A 7 ILE HD1% 1.0 . 3.68 63 59 A 7 ILE HG1x A 7 ILE HD1% 1.0 . 3.53 64 60 A 7 ILE HA A 7 ILE HG2% 1.0 . 3.53 65 61 A 7 ILE H A 7 ILE HG2% 1.0 . 5.90 66 62 A 5 LYS H A 8 PRO HA 1.0 . 4.18 67 63 A 8 PRO HDx A 8 PRO HBx 1.0 . 3.07 68 64 A 8 PRO HDx A 8 PRO HBy 1.0 . 3.91 69 65 A 8 PRO HDx A 8 PRO HDy 1.0 . 2.50 70 66 A 8 PRO HA A 9 LEU H 1.0 . 2.56 71 67 A 9 LEU HBx A 9 LEU HA 1.0 . 2.50 72 68 A 9 LEU H A 9 LEU HBx 1.0 . 4.03 73 69 A 9 LEU H A 9 LEU HBy 1.0 . 3.25 74 70 A 9 LEU HA A 9 LEU HD1% 1.0 . 3.53 75 71 A 9 LEU H A 9 LEU HD1% 1.0 . 5.24 76 72 A 9 LEU HA A 9 LEU HD2% 1.0 . 6.53 77 73 A 8 PRO HA A 10 ALA H 1.0 . 4.12 78 74 A 9 LEU HA A 10 ALA H 1.0 . 3.76 79 75 A 10 ALA H A 10 ALA HA 1.0 . 2.98 80 76 A 10 ALA HA A 10 ALA HB% 1.0 . 3.53 81 77 A 10 ALA H A 10 ALA HB% 1.0 . 3.65 82 78 A 11 TYR HD% A 2 LYS HB2 1.0 . 5.52 83 78 A 2 LYS HB3 A 11 TYR HD% 1.0 . 5.52 84 79 A 11 TYR HD% A 2 LYS HD2 1.0 . 5.91 85 79 A 2 LYS HD3 A 11 TYR HD% 1.0 . 5.91 86 80 A 11 TYR HD% A 2 LYS HE2 1.0 . 6.66 87 80 A 11 TYR HD% A 2 LYS HE3 1.0 . 6.66 88 81 A 5 LYS H A 11 TYR HA 1.0 . 2.95 89 82 A 5 LYS H A 11 TYR HBy 1.0 . 4.09 90 83 A 10 ALA HA A 11 TYR H 1.0 . 2.50 91 84 A 10 ALA HB% A 11 TYR H 1.0 . 4.10 92 85 A 11 TYR HA A 11 TYR HBx 1.0 . 2.50 93 86 A 11 TYR HA A 11 TYR HBy 1.0 . 2.50 94 87 A 11 TYR HA A 11 TYR H 1.0 . 3.22 95 88 A 11 TYR H A 11 TYR HBx 1.0 . 4.36 96 89 A 11 TYR HBy A 11 TYR H 1.0 . 3.73 97 90 A 11 TYR HD% A 11 TYR HA 1.0 . 7.49 98 91 A 11 TYR HD% A 11 TYR HBx 1.0 . 4.64 99 92 A 11 TYR HD% A 11 TYR H 1.0 . 6.35 100 93 A 11 TYR HBx A 11 TYR HE% 1.0 . 7.45 101 94 A 11 TYR H A 11 TYR HE% 1.0 . 7.27 102 95 A 3 CYS H A 12 LYS H 1.0 . 3.04 103 96 A 11 TYR HA A 12 LYS H 1.0 . 2.65 104 97 A 11 TYR HBx A 12 LYS H 1.0 . 2.83 105 98 A 11 TYR HD% A 12 LYS H 1.0 . 6.86 106 99 A 12 LYS HGy A 12 LYS HEy 1.0 . 2.86 107 100 A 12 LYS H A 12 LYS HEy 1.0 . 4.24 108 101 A 12 LYS H A 12 LYS HGx 1.0 . 5.14 109 102 A 3 CYS H A 13 THR HA 1.0 . 4.09 110 103 A 13 THR H A 12 LYS HA 1.0 . 2.80 111 104 A 12 LYS H A 13 THR H 1.0 . 4.21 112 105 A 13 THR H A 12 LYS HB2 1.0 . 4.82 113 105 A 13 THR H A 12 LYS HB3 1.0 . 4.82 114 106 A 13 THR HA A 13 THR HB 1.0 . 5.50 115 107 A 13 THR H A 13 THR HB 1.0 . 2.89 116 108 A 13 THR HA A 13 THR HG2% 1.0 . 3.53 117 109 A 14 CYS HBx A 1 LEU HB2 1.0 . 4.34 118 109 A 1 LEU HB3 A 14 CYS HBx 1.0 . 4.34 119 110 A 1 LEU HD2% A 14 CYS HBx 1.0 . 4.94 120 111 A 14 CYS HBy A 1 LEU HB2 1.0 . 5.72 121 111 A 1 LEU HB3 A 14 CYS HBy 1.0 . 5.72 122 112 A 1 LEU HD2% A 14 CYS HBy 1.0 . 5.48 123 113 A 14 CYS H A 1 LEU HB2 1.0 . 6.38 124 113 A 1 LEU HB3 A 14 CYS H 1.0 . 6.38 125 114 A 2 LYS HA A 14 CYS H 1.0 . 3.22 126 115 A 13 THR HA A 14 CYS H 1.0 . 2.50 127 116 A 13 THR HG2% A 14 CYS H 1.0 . 4.13 128 117 A 14 CYS HBy A 14 CYS HA 1.0 . 2.50 129 118 A 14 CYS H A 14 CYS HA 1.0 . 3.04 130 119 A 14 CYS HBx A 14 CYS H 1.0 . 2.71 131 120 A 14 CYS HBy A 14 CYS H 1.0 . 3.70 132 121 A 14 CYS HA A 15 PRO HDx 1.0 . 2.50 133 122 A 14 CYS HA A 15 PRO HDy 1.0 . 2.50 134 123 A 15 PRO HBy A 15 PRO HA 1.0 . 2.50 135 124 A 15 PRO HDx A 15 PRO HA 1.0 . 4.90 136 125 A 15 PRO HDx A 15 PRO HBx 1.0 . 3.82 137 126 A 15 PRO HDx A 15 PRO HDy 1.0 . 2.50 138 127 A 15 PRO HA A 15 PRO HGx 1.0 . 4.30 139 128 A 15 PRO HDx A 15 PRO HGx 1.0 . 2.68 140 129 A 15 PRO HA A 15 PRO HGy 1.0 . 2.74 141 130 A 15 PRO HDx A 15 PRO HGy 1.0 . 2.50 142 131 A 15 PRO HA A 16 ALA H 1.0 . 2.50 143 132 A 15 PRO HBx A 16 ALA H 1.0 . 2.95 144 133 A 15 PRO HBy A 16 ALA H 1.0 . 3.34 145 134 A 16 ALA H A 16 ALA HA 1.0 . 2.89 146 135 A 16 ALA HA A 16 ALA HB% 1.0 . 3.53 147 136 A 16 ALA H A 16 ALA HB% 1.0 . 3.53 148 137 A 16 ALA HA A 17 GLY H 1.0 . 2.50 149 138 A 16 ALA HB% A 17 GLY H 1.0 . 4.16 150 139 A 17 GLY HAy A 17 GLY HAx 1.0 . 2.50 151 140 A 17 GLY H A 17 GLY HAx 1.0 . 2.50 152 141 A 16 ALA HA A 18 LYS H 1.0 . 3.73 153 142 A 17 GLY H A 18 LYS H 1.0 . 2.80 154 143 A 18 LYS HBy A 18 LYS HA 1.0 . 2.98 155 144 A 18 LYS HA A 18 LYS HGx 1.0 . 3.55 156 145 A 18 LYS HBy A 18 LYS HGx 1.0 . 4.06 157 146 A 18 LYS H A 18 LYS HA 1.0 . 3.10 158 147 A 18 LYS H A 18 LYS HBx 1.0 . 3.43 159 148 A 18 LYS H A 18 LYS HBy 1.0 . 2.71 160 149 A 18 LYS H A 18 LYS HGx 1.0 . 5.50 161 150 A 18 LYS H A 18 LYS HGy 1.0 . 3.46 162 151 A 18 LYS HBy A 18 LYS HE2 1.0 . 6.38 163 151 A 18 LYS HBy A 18 LYS HE3 1.0 . 6.38 164 152 A 18 LYS HGx A 18 LYS HE2 1.0 . 5.81 165 152 A 18 LYS HGx A 18 LYS HE3 1.0 . 5.81 166 153 A 18 LYS HA A 19 ASN H 1.0 . 2.50 167 154 A 19 ASN HBx A 19 ASN HA 1.0 . 2.83 168 155 A 19 ASN HA A 19 ASN HBy 1.0 . 3.16 169 156 A 19 ASN HBx A 19 ASN HD22 1.0 . 2.98 170 157 A 19 ASN HBy A 19 ASN HD22 1.0 . 4.09 171 158 A 19 ASN HD22 A 19 ASN HD21 1.0 . 2.50 172 159 A 19 ASN H A 19 ASN HA 1.0 . 3.25 173 160 A 19 ASN H A 19 ASN HBx 1.0 . 2.92 174 161 A 19 ASN H A 19 ASN HBy 1.0 . 4.00 175 162 A 19 ASN H A 19 ASN HD22 1.0 . 5.50 176 163 A 19 ASN HA A 20 LEU H 1.0 . 3.19 177 164 A 19 ASN H A 20 LEU H 1.0 . 2.89 178 165 A 20 LEU HG A 20 LEU HA 1.0 . 3.31 179 166 A 20 LEU H A 20 LEU HBx 1.0 . 3.97 180 167 A 20 LEU H A 20 LEU HBy 1.0 . 2.83 181 168 A 20 LEU H A 20 LEU HG 1.0 . 3.94 182 169 A 20 LEU HA A 20 LEU HD1% 1.0 . 6.53 183 170 A 20 LEU H A 20 LEU HD1% 1.0 . 5.72 184 171 A 20 LEU HA A 20 LEU HD2% 1.0 . 4.22 185 172 A 20 LEU HA A 21 CYS H 1.0 . 2.62 186 173 A 20 LEU HBx A 21 CYS H 1.0 . 3.37 187 174 A 20 LEU HD2% A 21 CYS H 1.0 . 6.29 188 175 A 21 CYS HBy A 21 CYS HA 1.0 . 2.74 189 176 A 21 CYS H A 21 CYS HBx 1.0 . 3.46 190 177 A 21 CYS H A 21 CYS HBy 1.0 . 3.58 191 178 A 21 CYS HA A 22 TYR H 1.0 . 2.68 192 179 A 21 CYS HBy A 22 TYR H 1.0 . 3.07 193 180 A 22 TYR H A 22 TYR HBx 1.0 . 3.82 194 181 A 22 TYR HD% A 22 TYR HA 1.0 . 5.21 195 182 A 22 TYR HBx A 22 TYR HD% 1.0 . 4.64 196 183 A 22 TYR HD% A 22 TYR HBy 1.0 . 4.64 197 184 A 22 TYR H A 22 TYR HD% 1.0 . 5.66 198 185 A 22 TYR HBx A 22 TYR HE% 1.0 . 5.32 199 186 A 22 TYR HBy A 22 TYR HE% 1.0 . 5.74 200 187 A 22 TYR H A 22 TYR HE% 1.0 . 7.06 201 188 A 22 TYR HA A 23 LYS H 1.0 . 2.50 202 189 A 22 TYR HBx A 23 LYS H 1.0 . 5.50 203 190 A 22 TYR HBy A 23 LYS H 1.0 . 2.71 204 191 A 22 TYR HD% A 23 LYS H 1.0 . 7.31 205 192 A 22 TYR HE% A 24 MET HBy 1.0 . 4.63 206 193 A 22 TYR HE% A 24 MET HGx 1.0 . 4.66 207 194 A 22 TYR HD% A 24 MET HGy 1.0 . 4.64 208 195 A 22 TYR HE% A 24 MET HGy 1.0 . 4.63 209 196 A 24 MET H A 23 LYS HA 1.0 . 2.80 210 197 A 24 MET H A 23 LYS HBx 1.0 . 3.37 211 198 A 24 MET HGx A 24 MET HA 1.0 . 2.50 212 199 A 24 MET H A 24 MET HA 1.0 . 3.28 213 200 A 24 MET HBy A 24 MET H 1.0 . 2.80 214 201 A 24 MET HGx A 24 MET H 1.0 . 5.41 215 202 A 25 PHE HZ A 23 LYS HDy 1.0 . 2.53 216 203 A 25 PHE HD% A 23 LYS HGx 1.0 . 4.83 217 204 A 25 PHE HE% A 23 LYS HBy 1.0 . 4.62 218 205 A 23 LYS HGx A 25 PHE HE% 1.0 . 4.62 219 206 A 24 MET HA A 25 PHE H 1.0 . 2.50 220 207 A 24 MET HGx A 25 PHE H 1.0 . 4.30 221 208 A 25 PHE H A 25 PHE HA 1.0 . 3.10 222 209 A 25 PHE H A 25 PHE HBx 1.0 . 2.89 223 210 A 25 PHE H A 25 PHE HBy 1.0 . 4.03 224 211 A 25 PHE HD% A 25 PHE HBy 1.0 . 4.62 225 212 A 25 PHE HD% A 25 PHE H 1.0 . 6.06 226 213 A 25 PHE HZ A 25 PHE HD% 1.0 . 4.62 227 214 A 25 PHE HE% A 25 PHE HBx 1.0 . 5.91 228 215 A 25 PHE HE% A 25 PHE HBy 1.0 . 5.67 229 216 A 25 PHE HE% A 25 PHE H 1.0 . 7.62 230 217 A 25 PHE HZ A 25 PHE HE% 1.0 . 4.62 231 218 A 25 PHE HA A 26 MET H 1.0 . 2.50 232 219 A 25 PHE HBy A 26 MET H 1.0 . 3.31 233 220 A 26 MET H A 26 MET HA 1.0 . 3.13 234 221 A 26 MET H A 26 MET HBx 1.0 . 2.80 235 222 A 26 MET H A 26 MET HBy 1.0 . 3.91 236 223 A 26 MET H A 26 MET HGx 1.0 . 3.22 237 224 A 26 MET H A 26 MET HGy 1.0 . 5.14 238 225 A 26 MET HA A 27 VAL H 1.0 . 2.50 239 226 A 26 MET HBx A 27 VAL H 1.0 . 4.63 240 227 A 26 MET HBy A 27 VAL H 1.0 . 3.37 241 228 A 27 VAL HB A 27 VAL HA 1.0 . 2.50 242 229 A 27 VAL H A 27 VAL HA 1.0 . 2.83 243 230 A 27 VAL H A 27 VAL HB 1.0 . 2.56 244 231 A 27 VAL HA A 27 VAL HG1% 1.0 . 4.62 245 231 A 27 VAL HA A 27 VAL HG2% 1.0 . 4.62 246 232 A 27 VAL H A 27 VAL HG1% 1.0 . 4.98 247 232 A 27 VAL H A 27 VAL HG2% 1.0 . 4.98 248 233 A 26 MET HBx A 28 SER H 1.0 . 3.37 249 234 A 26 MET HBy A 28 SER H 1.0 . 3.19 250 235 A 27 VAL HA A 28 SER H 1.0 . 3.43 251 236 A 27 VAL HB A 28 SER H 1.0 . 3.58 252 237 A 27 VAL H A 28 SER H 1.0 . 3.04 253 238 A 28 SER H A 27 VAL HG1% 1.0 . 5.55 254 238 A 27 VAL HG2% A 28 SER H 1.0 . 5.55 255 239 A 28 SER HBy A 28 SER HA 1.0 . 2.50 256 240 A 28 SER HBy A 28 SER HBx 1.0 . 2.50 257 241 A 28 SER H A 28 SER HA 1.0 . 2.95 258 242 A 28 SER H A 28 SER HBx 1.0 . 2.95 259 243 A 28 SER H A 28 SER HBy 1.0 . 3.58 260 244 A 26 MET HBx A 29 ASN H 1.0 . 3.37 261 245 A 26 MET HBy A 29 ASN H 1.0 . 4.30 262 246 A 27 VAL HA A 29 ASN H 1.0 . 3.85 263 247 A 28 SER HA A 29 ASN H 1.0 . 5.50 264 248 A 28 SER HBy A 29 ASN H 1.0 . 4.15 265 249 A 29 ASN HBy A 29 ASN HA 1.0 . 2.50 266 250 A 29 ASN HD21 A 29 ASN HBx 1.0 . 4.09 267 251 A 29 ASN HBx A 29 ASN HD22 1.0 . 3.28 268 252 A 29 ASN HBy A 29 ASN HD22 1.0 . 3.91 269 253 A 29 ASN HD21 A 29 ASN HD22 1.0 . 2.50 270 254 A 29 ASN H A 29 ASN HA 1.0 . 3.07 271 255 A 29 ASN H A 29 ASN HBx 1.0 . 3.46 272 256 A 29 ASN H A 29 ASN HBy 1.0 . 3.25 273 257 A 25 PHE HD% A 30 LYS HBx 1.0 . 7.62 274 258 A 25 PHE HD% A 30 LYS HBy 1.0 . 6.33 275 259 A 25 PHE HE% A 30 LYS HBy 1.0 . 5.13 276 260 A 25 PHE HE% A 30 LYS HD2 1.0 . 6.07 277 260 A 25 PHE HE% A 30 LYS HD3 1.0 . 6.07 278 261 A 29 ASN HA A 30 LYS H 1.0 . 2.53 279 262 A 29 ASN H A 30 LYS H 1.0 . 3.31 280 263 A 30 LYS HBx A 30 LYS HA 1.0 . 3.07 281 264 A 30 LYS H A 30 LYS HA 1.0 . 2.98 282 265 A 30 LYS HBy A 30 LYS H 1.0 . 3.07 283 266 A 30 LYS H A 30 LYS HGx 1.0 . 3.58 284 267 A 25 PHE HD% A 31 THR HG2% 1.0 . 5.68 285 268 A 25 PHE HE% A 31 THR HG2% 1.0 . 5.65 286 269 A 30 LYS HA A 31 THR H 1.0 . 3.40 287 270 A 30 LYS HBx A 31 THR H 1.0 . 3.82 288 271 A 30 LYS HBy A 31 THR H 1.0 . 3.91 289 272 A 30 LYS H A 31 THR H 1.0 . 2.92 290 273 A 31 THR H A 31 THR HA 1.0 . 3.07 291 274 A 31 THR H A 31 THR HB 1.0 . 3.67 292 275 A 31 THR HG2% A 31 THR HA 1.0 . 3.89 293 276 A 31 THR HG2% A 31 THR HB 1.0 . 3.53 294 277 A 31 THR HG2% A 31 THR H 1.0 . 4.31 295 278 A 29 ASN HD21 A 32 VAL HB 1.0 . 4.48 296 279 A 29 ASN HD21 A 32 VAL HG2% 1.0 . 4.10 297 280 A 29 ASN HD22 A 32 VAL HG2% 1.0 . 5.45 298 281 A 31 THR HA A 32 VAL H 1.0 . 3.34 299 282 A 31 THR HB A 32 VAL H 1.0 . 3.70 300 283 A 31 THR H A 32 VAL H 1.0 . 2.56 301 284 A 31 THR HG2% A 32 VAL H 1.0 . 6.53 302 285 A 31 THR H A 32 VAL HG1% 1.0 . 5.93 303 286 A 32 VAL HB A 32 VAL HA 1.0 . 2.95 304 287 A 32 VAL H A 32 VAL HA 1.0 . 2.95 305 288 A 32 VAL HB A 32 VAL H 1.0 . 2.71 306 289 A 32 VAL H A 32 VAL HG1% 1.0 . 4.25 307 290 A 32 VAL HG2% A 32 VAL H 1.0 . 4.25 308 291 A 32 VAL HA A 33 PRO HDx 1.0 . 2.50 309 292 A 32 VAL HA A 33 PRO HDy 1.0 . 2.50 310 293 A 33 PRO HBx A 33 PRO HA 1.0 . 2.80 311 294 A 33 PRO HDx A 33 PRO HBy 1.0 . 5.11 312 295 A 33 PRO HDy A 33 PRO HBx 1.0 . 3.10 313 296 A 22 TYR HE% A 34 VAL H 1.0 . 6.55 314 297 A 25 PHE HA A 34 VAL H 1.0 . 3.07 315 298 A 33 PRO HA A 34 VAL H 1.0 . 2.50 316 299 A 33 PRO HBx A 34 VAL H 1.0 . 3.73 317 300 A 33 PRO HBy A 34 VAL H 1.0 . 3.70 318 301 A 34 VAL HB A 34 VAL HA 1.0 . 2.50 319 302 A 34 VAL H A 34 VAL HB 1.0 . 3.31 320 303 A 34 VAL HA A 34 VAL HG1% 1.0 . 3.53 321 304 A 34 VAL H A 34 VAL HG1% 1.0 . 3.71 322 305 A 34 VAL HA A 34 VAL HG2% 1.0 . 3.53 323 306 A 34 VAL H A 34 VAL HG2% 1.0 . 4.82 324 307 A 6 LEU HD1% A 35 LYS H 1.0 . 5.60 325 308 A 22 TYR HE% A 35 LYS HBy 1.0 . 4.66 326 309 A 24 MET H A 35 LYS H 1.0 . 3.19 327 310 A 33 PRO HA A 35 LYS H 1.0 . 3.88 328 311 A 34 VAL HA A 35 LYS H 1.0 . 3.52 329 312 A 34 VAL HB A 35 LYS H 1.0 . 3.67 330 313 A 34 VAL H A 35 LYS H 1.0 . 2.50 331 314 A 34 VAL HG1% A 35 LYS H 1.0 . 4.76 332 315 A 34 VAL HG2% A 35 LYS H 1.0 . 6.53 333 316 A 35 LYS H A 35 LYS HA 1.0 . 3.01 334 317 A 35 LYS H A 35 LYS HBx 1.0 . 3.13 335 318 A 35 LYS H A 35 LYS HBy 1.0 . 4.27 336 319 A 35 LYS H A 35 LYS HGx 1.0 . 4.03 337 320 A 6 LEU HA A 36 ARG HE 1.0 . 5.47 338 321 A 6 LEU HA A 36 ARG H 1.0 . 5.11 339 322 A 36 ARG H A 6 LEU HG 1.0 . 4.00 340 323 A 6 LEU HD1% A 36 ARG H 1.0 . 5.03 341 324 A 35 LYS HA A 36 ARG H 1.0 . 2.50 342 325 A 35 LYS HBy A 36 ARG H 1.0 . 3.01 343 326 A 36 ARG HBx A 36 ARG HA 1.0 . 3.85 344 327 A 36 ARG HBx A 36 ARG HDx 1.0 . 2.50 345 328 A 36 ARG HBx A 36 ARG HDy 1.0 . 3.76 346 329 A 36 ARG HE A 36 ARG HBy 1.0 . 5.14 347 330 A 36 ARG HE A 36 ARG HDx 1.0 . 3.37 348 331 A 36 ARG HE A 36 ARG HDy 1.0 . 3.85 349 332 A 36 ARG H A 36 ARG HA 1.0 . 3.19 350 333 A 36 ARG H A 36 ARG HBx 1.0 . 3.43 351 334 A 36 ARG H A 36 ARG HBy 1.0 . 3.85 352 335 A 36 ARG HE A 36 ARG H 1.0 . 5.50 353 336 A 36 ARG HE A 36 ARG HG2 1.0 . 4.85 354 336 A 36 ARG HE A 36 ARG HG3 1.0 . 4.85 355 337 A 22 TYR H A 37 GLY H 1.0 . 3.16 356 338 A 36 ARG HA A 37 GLY H 1.0 . 2.59 357 339 A 37 GLY H A 37 GLY HAx 1.0 . 3.49 358 340 A 37 GLY H A 37 GLY HAy 1.0 . 3.37 359 341 A 37 GLY HAy A 38 CYS H 1.0 . 3.01 360 342 A 38 CYS HBx A 38 CYS HA 1.0 . 2.50 361 343 A 38 CYS HA A 38 CYS HBy 1.0 . 3.01 362 344 A 38 CYS H A 38 CYS HA 1.0 . 3.19 363 345 A 38 CYS H A 38 CYS HBy 1.0 . 2.65 364 346 A 18 LYS HBx A 39 ILE H 1.0 . 4.12 365 347 A 20 LEU H A 39 ILE H 1.0 . 3.37 366 348 A 20 LEU H A 39 ILE HG2% 1.0 . 6.41 367 349 A 22 TYR HD% A 39 ILE HG1y 1.0 . 4.64 368 350 A 22 TYR HE% A 39 ILE HG1y 1.0 . 4.66 369 351 A 22 TYR HD% A 39 ILE HD1% 1.0 . 7.14 370 352 A 22 TYR HE% A 39 ILE HD1% 1.0 . 6.11 371 353 A 22 TYR HD% A 39 ILE HG2% 1.0 . 5.67 372 354 A 22 TYR HE% A 39 ILE HG2% 1.0 . 6.77 373 355 A 38 CYS HA A 39 ILE H 1.0 . 2.62 374 356 A 38 CYS HBx A 39 ILE H 1.0 . 3.28 375 357 A 39 ILE HG1x A 39 ILE HA 1.0 . 4.30 376 358 A 39 ILE HG1y A 39 ILE HA 1.0 . 3.73 377 359 A 39 ILE H A 39 ILE HA 1.0 . 3.43 378 360 A 39 ILE H A 39 ILE HB 1.0 . 3.67 379 361 A 39 ILE H A 39 ILE HG1x 1.0 . 5.50 380 362 A 39 ILE H A 39 ILE HG1y 1.0 . 5.50 381 363 A 39 ILE HD1% A 39 ILE HA 1.0 . 3.83 382 364 A 39 ILE HG2% A 39 ILE HA 1.0 . 3.83 383 365 A 39 ILE H A 39 ILE HG2% 1.0 . 3.98 384 366 A 40 ASP H A 18 LYS HD2 1.0 . 3.98 385 366 A 40 ASP H A 18 LYS HD3 1.0 . 3.98 386 367 A 19 ASN H A 40 ASP HA 1.0 . 3.01 387 368 A 39 ILE HA A 40 ASP H 1.0 . 2.65 388 369 A 39 ILE HG1y A 40 ASP H 1.0 . 2.80 389 370 A 39 ILE HD1% A 40 ASP H 1.0 . 6.47 390 371 A 39 ILE HG2% A 40 ASP H 1.0 . 5.72 391 372 A 40 ASP H A 40 ASP HA 1.0 . 3.13 392 373 A 40 ASP H A 40 ASP HBx 1.0 . 3.25 393 374 A 40 ASP H A 40 ASP HBy 1.0 . 3.97 394 375 A 39 ILE HG1x A 41 ALA H 1.0 . 2.74 395 376 A 39 ILE HG2% A 41 ALA H 1.0 . 4.61 396 377 A 40 ASP H A 41 ALA H 1.0 . 2.77 397 378 A 41 ALA H A 41 ALA HA 1.0 . 3.37 398 379 A 41 ALA HA A 41 ALA HB% 1.0 . 3.71 399 380 A 41 ALA H A 41 ALA HB% 1.0 . 4.13 400 381 A 20 LEU HD1% A 42 CYS H 1.0 . 4.34 401 382 A 41 ALA HA A 42 CYS H 1.0 . 2.50 402 383 A 41 ALA HB% A 42 CYS H 1.0 . 4.25 403 384 A 42 CYS HBx A 42 CYS HA 1.0 . 2.50 404 385 A 42 CYS HA A 42 CYS HBy 1.0 . 3.13 405 386 A 42 CYS H A 42 CYS HA 1.0 . 3.31 406 387 A 42 CYS H A 42 CYS HBx 1.0 . 2.68 407 388 A 42 CYS H A 42 CYS HBy 1.0 . 3.10 408 389 A 43 PRO HBx A 43 PRO HA 1.0 . 2.98 409 390 A 43 PRO HA A 43 PRO HBy 1.0 . 2.50 410 391 A 43 PRO HBx A 43 PRO HBy 1.0 . 2.50 411 392 A 43 PRO HBy A 43 PRO HGx 1.0 . 3.91 412 393 A 43 PRO HGx A 43 PRO HDy 1.0 . 4.00 413 394 A 43 PRO HDy A 43 PRO HGy 1.0 . 3.61 414 395 A 43 PRO HA A 44 LYS H 1.0 . 2.59 415 396 A 44 LYS H A 44 LYS HA 1.0 . 3.31 416 397 A 44 LYS H A 44 LYS HBy 1.0 . 3.04 417 398 A 44 LYS H A 44 LYS HG2 1.0 . 5.09 418 398 A 44 LYS H A 44 LYS HG3 1.0 . 5.09 419 399 A 45 ASN HBy A 45 ASN HA 1.0 . 2.65 420 400 A 45 ASN HD21 A 45 ASN HBx 1.0 . 4.30 421 401 A 45 ASN HBy A 45 ASN HD21 1.0 . 5.29 422 402 A 45 ASN HBx A 45 ASN HD22 1.0 . 2.71 423 403 A 45 ASN HBy A 45 ASN HD22 1.0 . 3.55 424 404 A 45 ASN HD21 A 45 ASN HD22 1.0 . 2.50 425 405 A 45 ASN HA A 45 ASN H 1.0 . 3.01 426 406 A 45 ASN HBx A 45 ASN H 1.0 . 2.53 427 407 A 45 ASN HD22 A 45 ASN H 1.0 . 5.47 428 408 A 45 ASN HA A 46 SER H 1.0 . 2.50 429 409 A 45 ASN HBy A 46 SER H 1.0 . 2.77 430 410 A 46 SER HBy A 46 SER HA 1.0 . 2.50 431 411 A 46 SER HBy A 46 SER HBx 1.0 . 2.50 432 412 A 46 SER H A 46 SER HA 1.0 . 3.07 433 413 A 46 SER H A 46 SER HBx 1.0 . 3.43 434 414 A 46 SER H A 46 SER HBy 1.0 . 4.48 435 415 A 46 SER HBx A 47 LEU H 1.0 . 3.34 436 416 A 46 SER HBy A 47 LEU H 1.0 . 2.50 437 417 A 47 LEU HBx A 47 LEU HA 1.0 . 2.53 438 418 A 47 LEU HA A 47 LEU HBy 1.0 . 2.83 439 419 A 47 LEU H A 47 LEU HA 1.0 . 2.95 440 420 A 47 LEU H A 47 LEU HBx 1.0 . 2.98 441 421 A 47 LEU H A 47 LEU HD1% 1.0 . 6.23 442 422 A 47 LEU H A 47 LEU HD2% 1.0 . 5.42 443 423 A 27 VAL H A 48 LEU HA 1.0 . 3.64 444 424 A 27 VAL H A 48 LEU HD1% 1.0 . 6.53 445 425 A 46 SER HBy A 48 LEU H 1.0 . 3.52 446 426 A 47 LEU HA A 48 LEU H 1.0 . 3.55 447 427 A 47 LEU H A 48 LEU H 1.0 . 2.74 448 428 A 48 LEU HA A 48 LEU H 1.0 . 2.89 449 429 A 48 LEU H A 48 LEU HBy 1.0 . 2.50 450 430 A 48 LEU HA A 48 LEU HD1% 1.0 . 3.53 451 431 A 48 LEU HD1% A 48 LEU H 1.0 . 5.12 452 432 A 48 LEU HA A 48 LEU HD2% 1.0 . 5.42 453 433 A 48 LEU H A 48 LEU HD2% 1.0 . 4.79 454 434 A 46 SER H A 49 VAL HG2% 1.0 . 5.60 455 435 A 47 LEU HD2% A 49 VAL H 1.0 . 5.54 456 436 A 48 LEU HA A 49 VAL H 1.0 . 3.46 457 437 A 49 VAL H A 48 LEU HBx 1.0 . 3.85 458 438 A 48 LEU HBy A 49 VAL H 1.0 . 3.46 459 439 A 48 LEU H A 49 VAL H 1.0 . 2.50 460 440 A 49 VAL HB A 49 VAL HA 1.0 . 3.49 461 441 A 49 VAL H A 49 VAL HA 1.0 . 3.10 462 442 A 49 VAL H A 49 VAL HB 1.0 . 2.95 463 443 A 49 VAL HA A 49 VAL HG1% 1.0 . 3.53 464 444 A 49 VAL H A 49 VAL HG1% 1.0 . 5.30 465 445 A 49 VAL HG2% A 49 VAL HA 1.0 . 3.53 466 446 A 49 VAL HG2% A 49 VAL H 1.0 . 3.98 467 447 A 25 PHE H A 50 LYS H 1.0 . 3.04 468 448 A 26 MET HA A 50 LYS H 1.0 . 3.88 469 449 A 50 LYS H A 27 VAL HG1% 1.0 . 6.96 470 449 A 27 VAL HG2% A 50 LYS H 1.0 . 6.96 471 450 A 49 VAL HA A 50 LYS H 1.0 . 2.50 472 451 A 49 VAL HG2% A 50 LYS H 1.0 . 6.38 473 452 A 50 LYS H A 50 LYS HA 1.0 . 2.80 474 453 A 50 LYS H A 50 LYS HGx 1.0 . 4.42 475 454 A 22 TYR HBy A 51 TYR HD% 1.0 . 5.33 476 455 A 24 MET HGx A 51 TYR HD% 1.0 . 6.23 477 456 A 24 MET HGy A 51 TYR HD% 1.0 . 4.73 478 457 A 25 PHE H A 51 TYR HA 1.0 . 3.97 479 458 A 51 TYR HD% A 43 PRO HDx 1.0 . 5.84 480 459 A 43 PRO HGx A 51 TYR HD% 1.0 . 7.07 481 460 A 43 PRO HGx A 51 TYR HE% 1.0 . 5.56 482 461 A 49 VAL HG2% A 51 TYR HD% 1.0 . 6.96 483 462 A 49 VAL HG1% A 51 TYR HE% 1.0 . 5.93 484 463 A 49 VAL HG2% A 51 TYR HE% 1.0 . 5.69 485 464 A 50 LYS HA A 51 TYR H 1.0 . 2.50 486 465 A 51 TYR H A 50 LYS HDx 1.0 . 3.58 487 466 A 51 TYR HA A 51 TYR HBx 1.0 . 2.50 488 467 A 51 TYR HA A 51 TYR H 1.0 . 2.95 489 468 A 51 TYR H A 51 TYR HBx 1.0 . 4.72 490 469 A 51 TYR H A 51 TYR HBy 1.0 . 2.80 491 470 A 51 TYR HD% A 51 TYR HA 1.0 . 4.76 492 471 A 51 TYR HD% A 51 TYR HBx 1.0 . 4.64 493 472 A 51 TYR HD% A 51 TYR HBy 1.0 . 5.69 494 473 A 51 TYR HD% A 51 TYR H 1.0 . 5.99 495 474 A 51 TYR HD% A 51 TYR HE% 1.0 . 6.77 496 475 A 23 LYS H A 52 VAL HB 1.0 . 5.38 497 476 A 23 LYS H A 52 VAL H 1.0 . 2.65 498 477 A 24 MET HA A 52 VAL H 1.0 . 4.36 499 478 A 25 PHE HD% A 52 VAL HB 1.0 . 7.62 500 479 A 25 PHE HE% A 52 VAL HB 1.0 . 6.87 501 480 A 25 PHE HE% A 52 VAL HG1% 1.0 . 7.12 502 481 A 51 TYR HA A 52 VAL H 1.0 . 2.50 503 482 A 52 VAL H A 52 VAL HA 1.0 . 3.37 504 483 A 52 VAL HB A 52 VAL H 1.0 . 2.71 505 484 A 52 VAL HG1% A 52 VAL HA 1.0 . 3.77 506 485 A 52 VAL H A 52 VAL HG1% 1.0 . 6.02 507 486 A 52 VAL HA A 52 VAL HG2% 1.0 . 3.74 508 487 A 52 VAL H A 52 VAL HG2% 1.0 . 4.37 509 488 A 23 LYS H A 53 CYS HA 1.0 . 4.06 510 489 A 52 VAL HA A 53 CYS H 1.0 . 2.50 511 490 A 52 VAL HB A 53 CYS H 1.0 . 4.75 512 491 A 52 VAL HG1% A 53 CYS H 1.0 . 4.28 513 492 A 52 VAL HG2% A 53 CYS H 1.0 . 6.26 514 493 A 53 CYS HA A 53 CYS HBy 1.0 . 2.50 515 494 A 53 CYS HA A 53 CYS H 1.0 . 2.86 516 495 A 53 CYS H A 53 CYS HBx 1.0 . 2.83 517 496 A 21 CYS H A 54 CYS H 1.0 . 3.13 518 497 A 53 CYS HA A 54 CYS H 1.0 . 2.50 519 498 A 54 CYS HBx A 54 CYS HA 1.0 . 2.50 520 499 A 54 CYS HA A 54 CYS HBy 1.0 . 2.65 521 500 A 54 CYS H A 54 CYS HA 1.0 . 3.22 522 501 A 21 CYS H A 55 ASN HA 1.0 . 3.70 523 502 A 54 CYS HA A 55 ASN H 1.0 . 2.50 524 503 A 54 CYS HBx A 55 ASN H 1.0 . 3.61 525 504 A 54 CYS HBy A 55 ASN H 1.0 . 2.71 526 505 A 55 ASN HA A 55 ASN HBx 1.0 . 2.50 527 506 A 55 ASN HA A 55 ASN HBy 1.0 . 2.50 528 507 A 55 ASN HBx A 55 ASN HD21 1.0 . 4.84 529 508 A 55 ASN HBy A 55 ASN HD21 1.0 . 4.42 530 509 A 55 ASN HBx A 55 ASN HD22 1.0 . 3.64 531 510 A 55 ASN HBy A 55 ASN HD22 1.0 . 3.22 532 511 A 55 ASN HD21 A 55 ASN HD22 1.0 . 2.50 533 512 A 55 ASN HA A 55 ASN H 1.0 . 3.37 534 513 A 55 ASN H A 55 ASN HBx 1.0 . 3.13 535 514 A 55 ASN H A 55 ASN HBy 1.0 . 3.70 536 515 A 1 LEU HD1% A 56 THR HG2% 1.0 . 4.56 537 516 A 55 ASN HA A 56 THR H 1.0 . 2.95 538 517 A 55 ASN H A 56 THR H 1.0 . 2.80 539 518 A 55 ASN H A 56 THR HG2% 1.0 . 5.51 540 519 A 56 THR HB A 56 THR HA 1.0 . 5.50 541 520 A 56 THR H A 56 THR HB 1.0 . 3.46 542 521 A 56 THR HG2% A 56 THR HA 1.0 . 3.53 543 522 A 56 THR HG2% A 56 THR HB 1.0 . 3.53 544 523 A 56 THR HG2% A 56 THR H 1.0 . 4.37 545 524 A 1 LEU HD1% A 57 ASP H 1.0 . 4.76 546 525 A 56 THR HA A 57 ASP H 1.0 . 2.50 547 526 A 56 THR HB A 57 ASP H 1.0 . 2.56 548 527 A 56 THR H A 57 ASP H 1.0 . 4.42 549 528 A 56 THR HG2% A 57 ASP H 1.0 . 5.03 550 529 A 57 ASP HBx A 57 ASP HA 1.0 . 2.83 551 530 A 57 ASP HA A 57 ASP HBy 1.0 . 3.16 552 531 A 57 ASP H A 57 ASP HA 1.0 . 2.89 553 532 A 57 ASP H A 57 ASP HBx 1.0 . 3.40 554 533 A 57 ASP H A 57 ASP HBy 1.0 . 2.56 555 534 A 1 LEU HD1% A 58 ARG H 1.0 . 6.20 556 535 A 58 ARG H A 2 LYS HB2 1.0 . 6.32 557 535 A 2 LYS HB3 A 58 ARG H 1.0 . 6.32 558 536 A 3 CYS HA A 58 ARG H 1.0 . 3.04 559 537 A 4 ASN H A 58 ARG HA 1.0 . 3.16 560 538 A 4 ASN HD21 A 58 ARG HGy 1.0 . 2.95 561 539 A 11 TYR HD% A 58 ARG HDx 1.0 . 5.54 562 540 A 57 ASP HA A 58 ARG H 1.0 . 2.50 563 541 A 57 ASP HBx A 58 ARG H 1.0 . 3.52 564 542 A 57 ASP H A 58 ARG H 1.0 . 5.38 565 543 A 58 ARG HA A 58 ARG HBx 1.0 . 3.13 566 544 A 58 ARG HA A 58 ARG HBy 1.0 . 3.40 567 545 A 58 ARG HDx A 58 ARG HBx 1.0 . 3.49 568 546 A 58 ARG HA A 58 ARG HE 1.0 . 5.50 569 547 A 58 ARG HBx A 58 ARG HE 1.0 . 3.16 570 548 A 58 ARG HBy A 58 ARG HE 1.0 . 4.72 571 549 A 58 ARG HDx A 58 ARG HE 1.0 . 3.61 572 550 A 58 ARG HE A 58 ARG HDy 1.0 . 3.85 573 551 A 58 ARG HA A 58 ARG HGx 1.0 . 2.86 574 552 A 58 ARG HDy A 58 ARG HGx 1.0 . 4.57 575 553 A 58 ARG HE A 58 ARG HGx 1.0 . 4.99 576 554 A 58 ARG HA A 58 ARG HGy 1.0 . 3.04 577 555 A 58 ARG HGy A 58 ARG HE 1.0 . 2.83 578 556 A 58 ARG H A 58 ARG HA 1.0 . 2.56 579 557 A 58 ARG H A 58 ARG HBx 1.0 . 3.49 580 558 A 58 ARG H A 58 ARG HBy 1.0 . 4.03 581 559 A 58 ARG H A 58 ARG HDy 1.0 . 3.64 582 560 A 58 ARG H A 58 ARG HGx 1.0 . 5.50 583 561 A 58 ARG HA A 59 CYS H 1.0 . 3.37 584 562 A 58 ARG H A 59 CYS H 1.0 . 3.04 585 563 A 59 CYS HBx A 59 CYS HA 1.0 . 2.50 586 564 A 59 CYS HA A 59 CYS HBy 1.0 . 2.50 587 565 A 59 CYS H A 59 CYS HA 1.0 . 2.92 588 566 A 59 CYS H A 59 CYS HBx 1.0 . 3.55 589 567 A 59 CYS H A 59 CYS HBy 1.0 . 2.80 590 568 A 3 CYS HBy A 60 ASN HD22 1.0 . 4.03 591 569 A 4 ASN HBx A 60 ASN HD22 1.0 . 5.08 592 570 A 4 ASN HBy A 60 ASN HD22 1.0 . 3.97 593 571 A 4 ASN H A 60 ASN HD22 1.0 . 3.31 594 572 A 58 ARG HA A 60 ASN H 1.0 . 3.85 595 573 A 59 CYS HA A 60 ASN H 1.0 . 4.27 596 574 A 59 CYS H A 60 ASN H 1.0 . 2.95 597 575 A 60 ASN HBx A 60 ASN HA 1.0 . 2.68 598 576 A 60 ASN HA A 60 ASN HBy 1.0 . 2.71 599 577 A 60 ASN HA A 60 ASN HD21 1.0 . 3.97 600 578 A 60 ASN HBx A 60 ASN HD21 1.0 . 4.18 601 579 A 60 ASN HBy A 60 ASN HD21 1.0 . 2.80 602 580 A 60 ASN HD22 A 60 ASN HD21 1.0 . 2.50 603 581 A 60 ASN H A 60 ASN HA 1.0 . 3.01 604 582 A 60 ASN H A 60 ASN HBx 1.0 . 3.01 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 3 CYS H A 12 LYS O 1.0 . 2.2 2 2 A 3 CYS H A 12 LYS C 1.0 . 3.5 3 3 A 12 LYS O A 3 CYS N 1.0 . 3.3 4 4 A 4 ASN H A 60 ASN C 1.0 . 3.5 5 5 A 5 LYS H A 10 ALA O 1.0 . 2.2 6 6 A 5 LYS H A 10 ALA C 1.0 . 3.5 7 7 A 10 ALA O A 5 LYS N 1.0 . 3.3 8 8 A 10 ALA H A 7 ILE O 1.0 . 2.2 9 9 A 10 ALA H A 7 ILE C 1.0 . 3.5 10 10 A 7 ILE O A 10 ALA N 1.0 . 3.3 11 11 A 12 LYS H A 3 CYS O 1.0 . 2.2 12 12 A 12 LYS H A 3 CYS C 1.0 . 3.5 13 13 A 3 CYS O A 12 LYS N 1.0 . 3.3 14 14 A 14 CYS H A 1 LEU O 1.0 . 2.2 15 15 A 14 CYS H A 1 LEU C 1.0 . 3.5 16 16 A 1 LEU O A 14 CYS N 1.0 . 3.3 17 17 A 18 LYS H A 15 PRO O 1.0 . 2.2 18 18 A 18 LYS H A 15 PRO C 1.0 . 3.5 19 19 A 15 PRO O A 18 LYS N 1.0 . 3.3 20 20 A 20 LEU H A 39 ILE O 1.0 . 2.2 21 21 A 20 LEU H A 39 ILE C 1.0 . 3.5 22 22 A 39 ILE O A 20 LEU N 1.0 . 3.3 23 23 A 21 CYS H A 54 CYS O 1.0 . 2.2 24 24 A 21 CYS H A 54 CYS C 1.0 . 3.5 25 25 A 54 CYS O A 21 CYS N 1.0 . 3.3 26 26 A 22 TYR H A 37 GLY O 1.0 . 2.2 27 27 A 22 TYR H A 37 GLY C 1.0 . 3.5 28 28 A 37 GLY O A 22 TYR N 1.0 . 3.3 29 29 A 23 LYS H A 52 VAL O 1.0 . 2.2 30 30 A 23 LYS H A 52 VAL C 1.0 . 3.5 31 31 A 52 VAL O A 23 LYS N 1.0 . 3.3 32 32 A 24 MET H A 35 LYS O 1.0 . 2.2 33 33 A 24 MET H A 35 LYS C 1.0 . 3.5 34 34 A 35 LYS O A 24 MET N 1.0 . 3.3 35 35 A 25 PHE H A 50 LYS O 1.0 . 2.2 36 36 A 25 PHE H A 50 LYS C 1.0 . 3.5 37 37 A 50 LYS O A 25 PHE N 1.0 . 3.3 38 38 A 27 VAL H A 48 LEU O 1.0 . 2.2 39 39 A 27 VAL H A 48 LEU C 1.0 . 3.5 40 40 A 48 LEU O A 27 VAL N 1.0 . 3.3 41 41 A 32 VAL H A 29 ASN O 1.0 . 2.2 42 42 A 32 VAL H A 29 ASN C 1.0 . 3.5 43 43 A 29 ASN O A 32 VAL N 1.0 . 3.3 44 44 A 34 VAL H A 24 MET O 1.0 . 2.2 45 45 A 34 VAL H A 24 MET C 1.0 . 3.5 46 46 A 24 MET O A 34 VAL N 1.0 . 3.3 47 47 A 35 LYS H A 24 MET O 1.0 . 2.2 48 48 A 35 LYS H A 24 MET C 1.0 . 3.5 49 49 A 24 MET O A 35 LYS N 1.0 . 3.3 50 50 A 37 GLY H A 22 TYR O 1.0 . 2.2 51 51 A 37 GLY H A 22 TYR C 1.0 . 3.5 52 52 A 22 TYR O A 37 GLY N 1.0 . 3.3 53 53 A 39 ILE H A 20 LEU O 1.0 . 2.2 54 54 A 39 ILE H A 20 LEU C 1.0 . 3.5 55 55 A 20 LEU O A 39 ILE N 1.0 . 3.3 56 56 A 46 SER H A 49 VAL O 1.0 . 2.2 57 57 A 46 SER H A 49 VAL C 1.0 . 3.5 58 58 A 49 VAL O A 46 SER N 1.0 . 3.3 59 59 A 50 LYS H A 25 PHE O 1.0 . 2.2 60 60 A 50 LYS H A 25 PHE C 1.0 . 3.5 61 61 A 25 PHE O A 50 LYS N 1.0 . 3.3 62 62 A 52 VAL H A 23 LYS O 1.0 . 2.2 63 63 A 52 VAL H A 23 LYS C 1.0 . 3.5 64 64 A 23 LYS O A 52 VAL N 1.0 . 3.3 65 65 A 54 CYS H A 21 CYS O 1.0 . 2.2 66 66 A 54 CYS H A 21 CYS C 1.0 . 3.5 67 67 A 21 CYS O A 54 CYS N 1.0 . 3.3 68 68 A 58 ARG H A 2 LYS O 1.0 . 2.2 69 69 A 58 ARG H A 2 LYS C 1.0 . 3.5 70 70 A 2 LYS O A 58 ARG N 1.0 . 3.3 71 71 A 29 ASN H A 26 MET O 1.0 . 2.2 72 72 A 29 ASN H A 26 MET C 1.0 . 3.5 73 73 A 26 MET O A 29 ASN N 1.0 . 3.3 74 74 A 3 CYS H A 12 LYS O 1.0 . 1.7 75 75 A 3 CYS H A 12 LYS C 1.0 . 2.6 76 76 A 12 LYS O A 3 CYS N 1.0 . 2.6 77 77 A 4 ASN H A 60 ASN C 1.0 . 2.6 78 78 A 5 LYS H A 10 ALA O 1.0 . 1.7 79 79 A 5 LYS H A 10 ALA C 1.0 . 2.6 80 80 A 10 ALA O A 5 LYS N 1.0 . 2.6 81 81 A 10 ALA H A 7 ILE O 1.0 . 1.7 82 82 A 10 ALA H A 7 ILE C 1.0 . 2.6 83 83 A 7 ILE O A 10 ALA N 1.0 . 2.6 84 84 A 12 LYS H A 3 CYS O 1.0 . 1.7 85 85 A 12 LYS H A 3 CYS C 1.0 . 2.6 86 86 A 3 CYS O A 12 LYS N 1.0 . 2.6 87 87 A 14 CYS H A 1 LEU O 1.0 . 1.7 88 88 A 14 CYS H A 1 LEU C 1.0 . 2.6 89 89 A 1 LEU O A 14 CYS N 1.0 . 2.6 90 90 A 18 LYS H A 15 PRO O 1.0 . 1.7 91 91 A 18 LYS H A 15 PRO C 1.0 . 2.6 92 92 A 15 PRO O A 18 LYS N 1.0 . 2.6 93 93 A 20 LEU H A 39 ILE O 1.0 . 1.7 94 94 A 20 LEU H A 39 ILE C 1.0 . 2.6 95 95 A 39 ILE O A 20 LEU N 1.0 . 2.6 96 96 A 21 CYS H A 54 CYS O 1.0 . 1.7 97 97 A 21 CYS H A 54 CYS C 1.0 . 2.6 98 98 A 54 CYS O A 21 CYS N 1.0 . 2.6 99 99 A 22 TYR H A 37 GLY O 1.0 . 1.7 100 100 A 22 TYR H A 37 GLY C 1.0 . 2.6 101 101 A 37 GLY O A 22 TYR N 1.0 . 2.6 102 102 A 23 LYS H A 52 VAL O 1.0 . 1.7 103 103 A 23 LYS H A 52 VAL C 1.0 . 2.6 104 104 A 52 VAL O A 23 LYS N 1.0 . 2.6 105 105 A 24 MET H A 35 LYS O 1.0 . 1.7 106 106 A 24 MET H A 35 LYS C 1.0 . 2.6 107 107 A 35 LYS O A 24 MET N 1.0 . 2.6 108 108 A 25 PHE H A 50 LYS O 1.0 . 1.7 109 109 A 25 PHE H A 50 LYS C 1.0 . 2.6 110 110 A 50 LYS O A 25 PHE N 1.0 . 2.6 111 111 A 27 VAL H A 48 LEU O 1.0 . 1.7 112 112 A 27 VAL H A 48 LEU C 1.0 . 2.6 113 113 A 48 LEU O A 27 VAL N 1.0 . 2.6 114 114 A 32 VAL H A 29 ASN O 1.0 . 1.7 115 115 A 32 VAL H A 29 ASN C 1.0 . 2.6 116 116 A 29 ASN O A 32 VAL N 1.0 . 2.6 117 117 A 34 VAL H A 24 MET O 1.0 . 1.7 118 118 A 34 VAL H A 24 MET C 1.0 . 2.6 119 119 A 24 MET O A 34 VAL N 1.0 . 2.6 120 120 A 35 LYS H A 24 MET O 1.0 . 1.7 121 121 A 35 LYS H A 24 MET C 1.0 . 2.6 122 122 A 24 MET O A 35 LYS N 1.0 . 2.6 123 123 A 37 GLY H A 22 TYR O 1.0 . 1.7 124 124 A 37 GLY H A 22 TYR C 1.0 . 2.6 125 125 A 22 TYR O A 37 GLY N 1.0 . 2.6 126 126 A 39 ILE H A 20 LEU O 1.0 . 1.7 127 127 A 39 ILE H A 20 LEU C 1.0 . 2.6 128 128 A 20 LEU O A 39 ILE N 1.0 . 2.6 129 129 A 46 SER H A 49 VAL O 1.0 . 1.7 130 130 A 46 SER H A 49 VAL C 1.0 . 2.6 131 131 A 49 VAL O A 46 SER N 1.0 . 2.6 132 132 A 50 LYS H A 25 PHE O 1.0 . 1.7 133 133 A 50 LYS H A 25 PHE C 1.0 . 2.6 134 134 A 25 PHE O A 50 LYS N 1.0 . 2.6 135 135 A 52 VAL H A 23 LYS O 1.0 . 1.7 136 136 A 52 VAL H A 23 LYS C 1.0 . 2.6 137 137 A 23 LYS O A 52 VAL N 1.0 . 2.6 138 138 A 54 CYS H A 21 CYS O 1.0 . 1.7 139 139 A 54 CYS H A 21 CYS C 1.0 . 2.6 140 140 A 21 CYS O A 54 CYS N 1.0 . 2.6 141 141 A 58 ARG H A 2 LYS O 1.0 . 1.7 142 142 A 58 ARG H A 2 LYS C 1.0 . 2.6 143 143 A 2 LYS O A 58 ARG N 1.0 . 2.6 144 144 A 29 ASN H A 26 MET O 1.0 . 1.7 145 145 A 29 ASN H A 26 MET C 1.0 . 2.6 146 146 A 26 MET O A 29 ASN N 1.0 . 2.6 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 1 LEU N A 1 LEU CA A 1 LEU CB A 1 LEU CG 1.0 150.0 210.0 CHI1 2 2 A 1 LEU C A 2 LYS N A 2 LYS CA A 2 LYS C 1.0 -130.5 -90.5 PHI 3 3 A 2 LYS N A 2 LYS CA A 2 LYS C A 3 CYS N 1.0 118.6 160.8 PSI 4 4 A 2 LYS N A 2 LYS CA A 2 LYS CB A 2 LYS CG 1.0 -90.0 -30.0 CHI1 5 5 A 4 ASN N A 4 ASN CA A 4 ASN CB A 4 ASN CG 1.0 150.0 210.0 CHI1 6 6 A 4 ASN C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -147.5 -66.9 PHI 7 7 A 5 LYS N A 5 LYS CA A 5 LYS CB A 5 LYS CG 1.0 -90.0 -30.0 CHI1 8 8 A 6 LEU N A 6 LEU CA A 6 LEU CB A 6 LEU CG 1.0 150.0 210.0 CHI1 9 9 A 6 LEU C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -128.4 -75.6 PHI 10 10 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 PRO N 1.0 104.8 144.8 PSI 11 11 A 7 ILE N A 7 ILE CA A 7 ILE CB A 7 ILE CG1 1.0 -90.0 -30.0 CHI1 12 12 A 9 LEU N A 9 LEU CA A 9 LEU CB A 9 LEU CG 1.0 30.0 90.0 CHI1 13 13 A 9 LEU C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -157.8 -80.3 PHI 14 14 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 TYR N 1.0 104.2 165.5 PSI 15 15 A 10 ALA C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -147.6 -88.1 PHI 16 16 A 11 TYR N A 11 TYR CA A 11 TYR C A 12 LYS N 1.0 115.9 166.6 PSI 17 17 A 11 TYR N A 11 TYR CA A 11 TYR CB A 11 TYR CG 1.0 30.0 90.0 CHI1 18 18 A 11 TYR C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -152.1 -112.1 PHI 19 19 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 THR N 1.0 127.1 167.1 PSI 20 20 A 12 LYS C A 13 THR N A 13 THR CA A 13 THR C 1.0 -128.1 -68.3 PHI 21 21 A 13 THR N A 13 THR CA A 13 THR C A 14 CYS N 1.0 108.0 148.0 PSI 22 22 A 13 THR N A 13 THR CA A 13 THR CB A 13 THR OG1 1.0 -90.0 -30.0 CHI1 23 23 A 15 PRO C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -75.8 -35.8 PHI 24 24 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 GLY N 1.0 114.3 154.3 PSI 25 25 A 16 ALA C A 17 GLY N A 17 GLY CA A 17 GLY C 1.0 73.9 113.9 PHI 26 26 A 17 GLY N A 17 GLY CA A 17 GLY C A 18 LYS N 1.0 -28.9 11.1 PSI 27 27 A 17 GLY C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -109.2 -50.7 PHI 28 28 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 ASN N 1.0 102.8 169.2 PSI 29 29 A 18 LYS N A 18 LYS CA A 18 LYS CB A 18 LYS CG 1.0 -90.0 -30.0 CHI1 30 30 A 19 ASN N A 19 ASN CA A 19 ASN CB A 19 ASN CG 1.0 30.0 90.0 CHI1 31 31 A 19 ASN C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -149.2 -98.7 PHI 32 32 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 CYS N 1.0 121.1 161.1 PSI 33 33 A 20 LEU N A 20 LEU CA A 20 LEU CB A 20 LEU CG 1.0 -90.0 -30.0 CHI1 34 34 A 21 CYS C A 22 TYR N A 22 TYR CA A 22 TYR C 1.0 -147.9 -107.9 PHI 35 35 A 22 TYR N A 22 TYR CA A 22 TYR C A 23 LYS N 1.0 125.0 165.0 PSI 36 36 A 22 TYR N A 22 TYR CA A 22 TYR CB A 22 TYR CG 1.0 30.0 90.0 CHI1 37 37 A 22 TYR C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -147.5 -94.9 PHI 38 38 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 MET N 1.0 115.2 155.2 PSI 39 39 A 23 LYS N A 23 LYS CA A 23 LYS CB A 23 LYS CG 1.0 30.0 90.0 CHI1 40 40 A 23 LYS C A 24 MET N A 24 MET CA A 24 MET C 1.0 -147.2 -104.2 PHI 41 41 A 24 MET N A 24 MET CA A 24 MET C A 25 PHE N 1.0 110.0 169.7 PSI 42 42 A 24 MET C A 25 PHE N A 25 PHE CA A 25 PHE C 1.0 -130.2 -90.2 PHI 43 43 A 25 PHE N A 25 PHE CA A 25 PHE C A 26 MET N 1.0 105.7 145.7 PSI 44 44 A 25 PHE N A 25 PHE CA A 25 PHE CB A 25 PHE CG 1.0 -90.0 -30.0 CHI1 45 45 A 25 PHE C A 26 MET N A 26 MET CA A 26 MET C 1.0 -121.9 -81.9 PHI 46 46 A 26 MET N A 26 MET CA A 26 MET C A 27 VAL N 1.0 102.7 142.7 PSI 47 47 A 26 MET N A 26 MET CA A 26 MET CB A 26 MET CG 1.0 -90.0 -30.0 CHI1 48 48 A 27 VAL N A 27 VAL CA A 27 VAL CB A 27 VAL CG1 1.0 30.0 90.0 CHI1 49 49 A 31 THR N A 31 THR CA A 31 THR CB A 31 THR OG1 1.0 -90.0 -30.0 CHI1 50 50 A 31 THR C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -140.1 -86.3 PHI 51 51 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 PRO N 1.0 103.5 153.5 PSI 52 52 A 32 VAL N A 32 VAL CA A 32 VAL CB A 32 VAL CG1 1.0 150.0 210.0 CHI1 53 53 A 34 VAL C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -158.5 -102.0 PHI 54 54 A 35 LYS N A 35 LYS CA A 35 LYS C A 36 ARG N 1.0 126.0 166.0 PSI 55 55 A 35 LYS C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -157.8 -115.7 PHI 56 56 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 GLY N 1.0 125.7 165.7 PSI 57 57 A 36 ARG C A 37 GLY N A 37 GLY CA A 37 GLY C 1.0 -196.6 -121.5 PHI 58 58 A 37 GLY N A 37 GLY CA A 37 GLY C A 38 CYS N 1.0 138.7 211.8 PSI 59 59 A 38 CYS C A 39 ILE N A 39 ILE CA A 39 ILE C 1.0 -146.8 -94.1 PHI 60 60 A 39 ILE N A 39 ILE CA A 39 ILE C A 40 ASP N 1.0 103.5 157.4 PSI 61 61 A 39 ILE N A 39 ILE CA A 39 ILE CB A 39 ILE CG1 1.0 150.0 210.0 CHI1 62 62 A 43 PRO C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -120.3 -51.3 PHI 63 63 A 44 LYS N A 44 LYS CA A 44 LYS C A 45 ASN N 1.0 108.7 155.4 PSI 64 64 A 44 LYS C A 45 ASN N A 45 ASN CA A 45 ASN C 1.0 -124.5 -52.7 PHI 65 65 A 45 ASN N A 45 ASN CA A 45 ASN C A 46 SER N 1.0 105.4 151.3 PSI 66 66 A 45 ASN C A 46 SER N A 46 SER CA A 46 SER C 1.0 -160.1 -108.8 PHI 67 67 A 46 SER N A 46 SER CA A 46 SER C A 47 LEU N 1.0 130.9 174.7 PSI 68 68 A 48 LEU C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -139.6 -89.7 PHI 69 69 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 LYS N 1.0 112.4 152.4 PSI 70 70 A 49 VAL C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -142.8 -93.9 PHI 71 71 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 TYR N 1.0 119.4 159.4 PSI 72 72 A 50 LYS N A 50 LYS CA A 50 LYS CB A 50 LYS CG 1.0 150.0 210.0 CHI1 73 73 A 50 LYS C A 51 TYR N A 51 TYR CA A 51 TYR C 1.0 -147.8 -94.7 PHI 74 74 A 51 TYR N A 51 TYR CA A 51 TYR C A 52 VAL N 1.0 113.8 156.6 PSI 75 75 A 51 TYR N A 51 TYR CA A 51 TYR CB A 51 TYR CG 1.0 -90.0 -30.0 CHI1 76 76 A 51 TYR C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -132.1 -92.1 PHI 77 77 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 CYS N 1.0 110.1 150.1 PSI 78 78 A 52 VAL N A 52 VAL CA A 52 VAL CB A 52 VAL CG1 1.0 150.0 210.0 CHI1 79 79 A 55 ASN C A 56 THR N A 56 THR CA A 56 THR C 1.0 -152.9 -112.9 PHI 80 80 A 56 THR N A 56 THR CA A 56 THR C A 57 ASP N 1.0 134.0 174.0 PSI 81 81 A 56 THR N A 56 THR CA A 56 THR CB A 56 THR OG1 1.0 30.0 90.0 CHI1 82 82 A 60 ASN N A 60 ASN CA A 60 ASN CB A 60 ASN CG 1.0 30.0 90.0 CHI1 83 83 A 3 CYS C A 4 ASN N A 4 ASN CA A 4 ASN C 1.0 -153.7 -71.6 PHI 84 84 A 4 ASN N A 4 ASN CA A 4 ASN C A 5 LYS N 1.0 98.2 178.4 PSI 85 85 A 56 THR C A 57 ASP N A 57 ASP CA A 57 ASP C 1.0 -88.5 -48.5 PHI 86 86 A 57 ASP N A 57 ASP CA A 57 ASP C A 58 ARG N 1.0 117.0 157.9 PSI stop_ save_