data_nef_c30316_5wdz 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 5WDZ 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 34 CYS SG 1 9 CYS SG 1 50 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 SER start . . 2 A 2 ALA middle . . 3 A 3 LYS middle . . 4 A 4 GLU middle . . 5 A 5 LEU middle . . 6 A 6 ARG middle . . 7 A 7 CYS middle -HG . 8 A 8 GLN middle . . 9 A 9 CYS middle -HG . 10 A 10 ILE middle . . 11 A 11 LYS middle . . 12 A 12 THR middle . . 13 A 13 TYR middle . . 14 A 14 SER middle . . 15 A 15 LYS middle . . 16 A 16 PRO middle . false 17 A 17 PHE middle . . 18 A 18 HIS middle . . 19 A 19 PRO middle . false 20 A 20 LYS middle . . 21 A 21 PHE middle . . 22 A 22 ILE middle . . 23 A 23 LYS middle . . 24 A 24 GLU middle . . 25 A 25 LEU middle . . 26 A 26 ARG middle . . 27 A 27 VAL middle . . 28 A 28 ILE middle . . 29 A 29 GLU middle . . 30 A 30 SER middle . . 31 A 31 GLY middle . false 32 A 32 PRO middle . false 33 A 33 HIS middle . . 34 A 34 CYS middle -HG . 35 A 35 ALA middle . . 36 A 36 ASN middle . . 37 A 37 THR middle . . 38 A 38 GLU middle . . 39 A 39 ILE middle . . 40 A 40 ILE middle . . 41 A 41 VAL middle . . 42 A 42 LYS middle . . 43 A 43 LEU middle . . 44 A 44 SER middle . . 45 A 45 ASP middle . . 46 A 46 GLY middle . false 47 A 47 ARG middle . . 48 A 48 GLU middle . . 49 A 49 LEU middle . . 50 A 50 CYS middle -HG . 51 A 51 LEU middle . . 52 A 52 ASP middle . . 53 A 53 PRO middle . false 54 A 54 LYS middle . . 55 A 55 GLU middle . . 56 A 56 ASN middle . . 57 A 57 TRP middle . . 58 A 58 VAL middle . . 59 A 59 GLN middle . . 60 A 60 ARG middle . . 61 A 61 VAL middle . . 62 A 62 VAL middle . . 63 A 63 GLU middle . . 64 A 64 LYS middle . . 65 A 65 PHE middle . . 66 A 66 LEU 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 SER CA C 13 57.49 . A 2 ALA H H 1 7.694 . A 2 ALA CA C 13 56.858 . A 2 ALA CB C 13 19.09 . A 2 ALA N N 15 128.875 . A 3 LYS HA H 1 4.199 . A 3 LYS HB2 H 1 1.886 . A 3 LYS HB3 H 1 1.798 . A 3 LYS HD2 H 1 1.6 . A 3 LYS HE2 H 1 2.984 . A 3 LYS HG2 H 1 1.603 . A 3 LYS C C 13 174.9 . A 3 LYS CA C 13 57.85 . A 3 LYS CB C 13 32.23 . A 3 LYS CG C 13 27.78 . A 4 GLU H H 1 8.239 . A 4 GLU HA H 1 4.294 . A 4 GLU HB2 H 1 1.936 . A 4 GLU HG2 H 1 2.229 . A 4 GLU C C 13 176 . A 4 GLU CA C 13 56.89 . A 4 GLU CB C 13 30.567 . A 4 GLU CG C 13 36.46 . A 4 GLU N N 15 121.1 . A 5 LEU H H 1 8.210 . A 5 LEU HA H 1 4.436 . A 5 LEU HB2 H 1 1.545 . A 5 LEU HB3 H 1 1.718 . A 5 LEU HD1% H 1 0.913 . A 5 LEU HD2% H 1 0.82 . A 5 LEU HG H 1 1.659 . A 5 LEU C C 13 176 . A 5 LEU CA C 13 54.95 . A 5 LEU CB C 13 42.06 . A 5 LEU CD1 C 13 25.398 . A 5 LEU CD2 C 13 23.355 . A 5 LEU CG C 13 27.004 . A 5 LEU N N 15 123.649 . A 6 ARG H H 1 8.135 . A 6 ARG HA H 1 4.983 . A 6 ARG HB2 H 1 2.09 . A 6 ARG HB3 H 1 1.823 . A 6 ARG HD2 H 1 3.217 . A 6 ARG HD3 H 1 2.969 . A 6 ARG HG2 H 1 1.555 . A 6 ARG C C 13 175.989 . A 6 ARG CA C 13 54.91 . A 6 ARG CB C 13 32.12 . A 6 ARG CD C 13 43.856 . A 6 ARG CG C 13 26.511 . A 6 ARG N N 15 120.373 . A 7 CYS H H 1 8.094 . A 7 CYS HA H 1 4.684 . A 7 CYS HB2 H 1 4.028 . A 7 CYS HB3 H 1 2.7 . A 7 CYS C C 13 175.502 . A 7 CYS CA C 13 55.53 . A 7 CYS CB C 13 39.467 . A 7 CYS N N 15 118.552 . A 8 GLN H H 1 12.048 . A 8 GLN HA H 1 4.287 . A 8 GLN HB2 H 1 2.147 . A 8 GLN HB3 H 1 2.034 . A 8 GLN HE21 H 1 6.67 . A 8 GLN HE22 H 1 7.645 . A 8 GLN HG2 H 1 2.385 . A 8 GLN C C 13 177.939 . A 8 GLN CA C 13 56.985 . A 8 GLN CB C 13 30.88 . A 8 GLN CG C 13 34.413 . A 8 GLN N N 15 126.879 . A 8 GLN NE2 N 15 112.843 . A 9 CYS H H 1 9.595 . A 9 CYS HA H 1 4.703 . A 9 CYS HB2 H 1 3.316 . A 9 CYS HB3 H 1 2.785 . A 9 CYS C C 13 174.844 . A 9 CYS CA C 13 55.37 . A 9 CYS CB C 13 42.884 . A 9 CYS N N 15 121.545 . A 10 ILE H H 1 7.317 . A 10 ILE HA H 1 4.169 . A 10 ILE HB H 1 1.959 . A 10 ILE HD1% H 1 0.894 . A 10 ILE HG12 H 1 1.482 . A 10 ILE HG13 H 1 1.254 . A 10 ILE HG2% H 1 0.958 . A 10 ILE CA C 13 62.1 . A 10 ILE CB C 13 38.59 . A 10 ILE CD1 C 13 12.932 . A 10 ILE CG1 C 13 27.523 . A 10 ILE CG2 C 13 17.837 . A 10 ILE N N 15 127.269 . A 11 LYS H H 1 7.746 . A 11 LYS HA H 1 4.58 . A 11 LYS HB2 H 1 1.838 . A 11 LYS HB3 H 1 1.889 . A 11 LYS HE2 H 1 3.019 . A 11 LYS HG2 H 1 1.396 . A 11 LYS C C 13 176.528 . A 11 LYS CA C 13 55.27 . A 11 LYS CB C 13 34.93 . A 11 LYS CD C 13 29.13 . A 11 LYS CE C 13 42.53 . A 11 LYS CG C 13 24.518 . A 11 LYS N N 15 118.594 . A 12 THR H H 1 8.183 . A 12 THR HA H 1 4.663 . A 12 THR HB H 1 3.984 . A 12 THR HG2% H 1 1.121 . A 12 THR C C 13 173.597 . A 12 THR CA C 13 60.2 . A 12 THR CB C 13 71.227 . A 12 THR CG2 C 13 21.818 . A 12 THR N N 15 112.803 . A 13 TYR H H 1 8.877 . A 13 TYR HA H 1 4.67 . A 13 TYR HB2 H 1 3.211 . A 13 TYR HD1 H 1 7.371 . A 13 TYR HE1 H 1 7.081 . A 13 TYR CA C 13 58.6 . A 13 TYR CB C 13 40.84 . A 13 TYR N N 15 123.695 . A 14 SER HA H 1 4.77 . A 14 SER HB2 H 1 4.034 . A 14 SER HB3 H 1 4.07 . A 14 SER CB C 13 64.91 . A 15 LYS H H 1 7.215 . A 15 LYS N N 15 126.2 . A 16 PRO HD2 H 1 3.612 . A 16 PRO HD3 H 1 3.659 . A 16 PRO HG2 H 1 0.814 . A 16 PRO HG3 H 1 1.139 . A 16 PRO C C 13 176.033 . A 16 PRO CA C 13 62.69 . A 16 PRO CB C 13 31.745 . A 16 PRO CD C 13 50.34 . A 16 PRO CG C 13 31.987 . A 17 PHE H H 1 5.659 . A 17 PHE HA H 1 4.632 . A 17 PHE HB2 H 1 3.108 . A 17 PHE HD1 H 1 7.376 . A 17 PHE CA C 13 54.86 . A 17 PHE CB C 13 41.2 . A 17 PHE N N 15 115.425 . A 18 HIS H H 1 8.695 . A 18 HIS HB2 H 1 3.164 . A 18 HIS HB3 H 1 3.118 . A 18 HIS HD2 H 1 7.137 . A 18 HIS CA C 13 56.441 . A 18 HIS CB C 13 32.264 . A 18 HIS N N 15 122.693 . A 19 PRO HA H 1 4.185 . A 19 PRO HB2 H 1 2.39 . A 19 PRO HD2 H 1 3.679 . A 19 PRO HG2 H 1 1.873 . A 19 PRO CA C 13 64.82 . A 19 PRO CB C 13 32.091 . A 19 PRO CD C 13 50.687 . A 19 PRO CG C 13 31.936 . A 20 LYS H H 1 11.104 . A 20 LYS HA H 1 4.365 . A 20 LYS HB2 H 1 1.824 . A 20 LYS HB3 H 1 1.719 . A 20 LYS HD2 H 1 0.996 . A 20 LYS HD3 H 1 0.906 . A 20 LYS HE2 H 1 2.435 . A 20 LYS HG2 H 1 0.459 . A 20 LYS CA C 13 58.45 . A 20 LYS CB C 13 30.76 . A 20 LYS CD C 13 29.07 . A 20 LYS CE C 13 41.947 . A 20 LYS CG C 13 23.71 . A 20 LYS N N 15 123.374 . A 21 PHE H H 1 8.001 . A 21 PHE HA H 1 4.673 . A 21 PHE HB2 H 1 3.574 . A 21 PHE HB3 H 1 3.037 . A 21 PHE HD1 H 1 7.645 . A 21 PHE HE1 H 1 7.477 . A 21 PHE C C 13 175.424 . A 21 PHE CA C 13 58.71 . A 21 PHE CB C 13 39.71 . A 21 PHE N N 15 117.618 . A 22 ILE H H 1 8.031 . A 22 ILE HA H 1 3.862 . A 22 ILE HB H 1 2.176 . A 22 ILE HD1% H 1 0.964 . A 22 ILE HG12 H 1 0.92 . A 22 ILE HG13 H 1 2.016 . A 22 ILE HG2% H 1 0.544 . A 22 ILE C C 13 174.928 . A 22 ILE CA C 13 63.52 . A 22 ILE CB C 13 38.36 . A 22 ILE CD1 C 13 14.21 . A 22 ILE CG1 C 13 29.08 . A 22 ILE CG2 C 13 17.929 . A 22 ILE N N 15 119.518 . A 23 LYS H H 1 9.135 . A 23 LYS HA H 1 4.578 . A 23 LYS HB2 H 1 1.766 . A 23 LYS HB3 H 1 1.549 . A 23 LYS HD2 H 1 1.6 . A 23 LYS HE2 H 1 3.154 . A 23 LYS HE3 H 1 3.214 . A 23 LYS HG2 H 1 1.597 . A 23 LYS C C 13 176.4 . A 23 LYS CA C 13 56.6 . A 23 LYS CB C 13 34.23 . A 23 LYS CD C 13 27.544 . A 23 LYS CE C 13 43.773 . A 23 LYS CG C 13 26.979 . A 23 LYS N N 15 128.051 . A 24 GLU H H 1 7.797 . A 24 GLU HA H 1 4.624 . A 24 GLU HB2 H 1 2.043 . A 24 GLU HB3 H 1 1.88 . A 24 GLU HG2 H 1 2.202 . A 24 GLU HG3 H 1 2.16 . A 24 GLU C C 13 173.069 . A 24 GLU CA C 13 55.16 . A 24 GLU CB C 13 34.41 . A 24 GLU CG C 13 36.54 . A 24 GLU N N 15 116.673 . A 25 LEU H H 1 8.36 . A 25 LEU HA H 1 4.862 . A 25 LEU HB2 H 1 0.866 . A 25 LEU HB3 H 1 1.037 . A 25 LEU HD2% H 1 0.601 . A 25 LEU HG H 1 1.221 . A 25 LEU C C 13 174.213 . A 25 LEU CA C 13 55.451 . A 25 LEU CB C 13 45.137 . A 25 LEU CD2 C 13 22.856 . A 25 LEU CG C 13 27.208 . A 25 LEU N N 15 125.015 . A 26 ARG H H 1 9 . A 26 ARG HA H 1 4.685 . A 26 ARG HB2 H 1 1.737 . A 26 ARG HD2 H 1 3.157 . A 26 ARG HD3 H 1 2.971 . A 26 ARG HG2 H 1 1.522 . A 26 ARG CA C 13 54.99 . A 26 ARG CB C 13 33.865 . A 26 ARG CD C 13 43.91 . A 26 ARG CG C 13 27.19 . A 26 ARG N N 15 125.807 . A 27 VAL H H 1 8.496 . A 27 VAL HA H 1 4.64 . A 27 VAL HB H 1 1.959 . A 27 VAL HG1% H 1 0.77 . A 27 VAL HG2% H 1 0.77 . A 27 VAL CA C 13 61.54 . A 27 VAL CB C 13 33.147 . A 27 VAL CG1 C 13 20.748 . A 27 VAL CG2 C 13 21.01 . A 27 VAL N N 15 123.525 . A 28 ILE H H 1 9.583 . A 28 ILE HA H 1 4.385 . A 28 ILE HB H 1 2.078 . A 28 ILE HD1% H 1 0.917 . A 28 ILE HG12 H 1 1.416 . A 28 ILE HG2% H 1 0.991 . A 28 ILE CA C 13 60.366 . A 28 ILE CB C 13 38.13 . A 28 ILE CD1 C 13 14.209 . A 28 ILE CG1 C 13 27.24 . A 28 ILE CG2 C 13 18.861 . A 28 ILE N N 15 129.932 . A 29 GLU H H 1 8.947 . A 29 GLU HA H 1 4.387 . A 29 GLU HB2 H 1 2.208 . A 29 GLU HB3 H 1 2.04 . A 29 GLU HG2 H 1 2.422 . A 29 GLU C C 13 176.729 . A 29 GLU CA C 13 57.52 . A 29 GLU CB C 13 30.11 . A 29 GLU CG C 13 36.462 . A 29 GLU N N 15 129.908 . A 30 SER H H 1 8.059 . A 30 SER HA H 1 4.232 . A 30 SER HB2 H 1 3.903 . A 30 SER HB3 H 1 3.589 . A 30 SER C C 13 173.522 . A 30 SER CA C 13 58.571 . A 30 SER CB C 13 64.5 . A 30 SER N N 15 117.701 . A 31 GLY H H 1 7.995 . A 31 GLY HA2 H 1 4.416 . A 31 GLY HA3 H 1 3.582 . A 31 GLY CA C 13 44.984 . A 31 GLY N N 15 107.837 . A 32 PRO HA H 1 4.417 . A 32 PRO HB2 H 1 2.332 . A 32 PRO HB3 H 1 2.18 . A 32 PRO HD2 H 1 3.877 . A 32 PRO HD3 H 1 3.67 . A 32 PRO HG2 H 1 1.918 . A 32 PRO HG3 H 1 1.961 . A 32 PRO C C 13 176.523 . A 32 PRO CA C 13 64.78 . A 32 PRO CB C 13 32.276 . A 32 PRO CD C 13 49.62 . A 32 PRO CG C 13 27.513 . A 33 HIS H H 1 8.153 . A 33 HIS HA H 1 4.272 . A 33 HIS HB2 H 1 2.953 . A 33 HIS HD2 H 1 6.996 . A 33 HIS C C 13 174.312 . A 33 HIS CA C 13 56.71 . A 33 HIS CB C 13 30.96 . A 33 HIS N N 15 112.316 . A 34 CYS H H 1 6.369 . A 34 CYS HA H 1 4.487 . A 34 CYS HB2 H 1 3.018 . A 34 CYS HB3 H 1 2.68 . A 34 CYS CA C 13 56.871 . A 34 CYS CB C 13 42.171 . A 34 CYS N N 15 116.563 . A 35 ALA H H 1 8.729 . A 35 ALA HA H 1 4.202 . A 35 ALA HB% H 1 1.407 . A 35 ALA C C 13 176.503 . A 35 ALA CA C 13 54.109 . A 35 ALA CB C 13 19.181 . A 35 ALA N N 15 130.616 . A 36 ASN H H 1 7.389 . A 36 ASN HA H 1 5.046 . A 36 ASN HB2 H 1 2.573 . A 36 ASN HB3 H 1 2.767 . A 36 ASN HD21 H 1 7.578 . A 36 ASN HD22 H 1 6.949 . A 36 ASN C C 13 174.844 . A 36 ASN CA C 13 51.54 . A 36 ASN CB C 13 40.95 . A 36 ASN N N 15 114.079 . A 36 ASN ND2 N 15 114.275 . A 37 THR H H 1 8.648 . A 37 THR HA H 1 4.351 . A 37 THR HB H 1 3.932 . A 37 THR HG2% H 1 1.103 . A 37 THR C C 13 173.477 . A 37 THR CA C 13 63.95 . A 37 THR CB C 13 69.72 . A 37 THR CG2 C 13 21.899 . A 37 THR N N 15 121.727 . A 38 GLU H H 1 8.452 . A 38 GLU HA H 1 4.828 . A 38 GLU HB2 H 1 2.057 . A 38 GLU HB3 H 1 1.999 . A 38 GLU HG2 H 1 2.461 . A 38 GLU C C 13 173.948 . A 38 GLU CA C 13 55.86 . A 38 GLU CB C 13 32.82 . A 38 GLU CG C 13 39.14 . A 38 GLU N N 15 126.101 . A 39 ILE H H 1 9.141 . A 39 ILE HA H 1 4.768 . A 39 ILE HB H 1 1.855 . A 39 ILE HD1% H 1 0.652 . A 39 ILE HG12 H 1 1.37 . A 39 ILE HG2% H 1 0.582 . A 39 ILE C C 13 174.197 . A 39 ILE CA C 13 60.41 . A 39 ILE CB C 13 39.07 . A 39 ILE CD1 C 13 14.13 . A 39 ILE CG1 C 13 27.54 . A 39 ILE CG2 C 13 17.34 . A 39 ILE N N 15 124.232 . A 40 ILE H H 1 8.8 . A 40 ILE HA H 1 4.87 . A 40 ILE HB H 1 1.593 . A 40 ILE HD1% H 1 0.736 . A 40 ILE HG12 H 1 1.138 . A 40 ILE HG13 H 1 1.445 . A 40 ILE HG2% H 1 0.8 . A 40 ILE C C 13 176.487 . A 40 ILE CA C 13 60.672 . A 40 ILE CB C 13 40.5 . A 40 ILE CD1 C 13 14.45 . A 40 ILE CG1 C 13 27.932 . A 40 ILE CG2 C 13 18.087 . A 40 ILE N N 15 126.993 . A 41 VAL H H 1 9.245 . A 41 VAL HA H 1 5.287 . A 41 VAL HB H 1 2.084 . A 41 VAL HG1% H 1 0.942 . A 41 VAL HG2% H 1 0.89 . A 41 VAL C C 13 173.911 . A 41 VAL CA C 13 58.17 . A 41 VAL CB C 13 35.16 . A 41 VAL CG1 C 13 22.79 . A 41 VAL CG2 C 13 20.718 . A 41 VAL N N 15 121.837 . A 42 LYS H H 1 8.468 . A 42 LYS HA H 1 5.173 . A 42 LYS HB2 H 1 1.643 . A 42 LYS HB3 H 1 1.772 . A 42 LYS HD2 H 1 1.63 . A 42 LYS HD3 H 1 1.561 . A 42 LYS HE2 H 1 2.923 . A 42 LYS HG2 H 1 1.393 . A 42 LYS C C 13 176.529 . A 42 LYS CA C 13 54.59 . A 42 LYS CB C 13 35 . A 42 LYS CD C 13 29.031 . A 42 LYS CE C 13 42.14 . A 42 LYS CG C 13 24.85 . A 42 LYS N N 15 122.184 . A 43 LEU H H 1 9.047 . A 43 LEU HA H 1 5.289 . A 43 LEU HB2 H 1 2.117 . A 43 LEU HB3 H 1 1.601 . A 43 LEU HD1% H 1 0.899 . A 43 LEU HD2% H 1 0.458 . A 43 LEU HG H 1 1.623 . A 43 LEU C C 13 180.234 . A 43 LEU CA C 13 53.79 . A 43 LEU CB C 13 43.381 . A 43 LEU CD1 C 13 23.088 . A 43 LEU CD2 C 13 23.51 . A 43 LEU CG C 13 27.61 . A 43 LEU N N 15 124.672 . A 44 SER H H 1 9.124 . A 44 SER HA H 1 4.655 . A 44 SER HB2 H 1 3.96 . A 44 SER HB3 H 1 4.104 . A 44 SER C C 13 174.555 . A 44 SER CA C 13 61.22 . A 44 SER CB C 13 62.987 . A 44 SER N N 15 116.741 . A 45 ASP H H 1 7.513 . A 45 ASP HA H 1 4.538 . A 45 ASP HB2 H 1 3.091 . A 45 ASP HB3 H 1 2.533 . A 45 ASP C C 13 177.047 . A 45 ASP CA C 13 53.3 . A 45 ASP CB C 13 40.274 . A 45 ASP N N 15 118.178 . A 46 GLY H H 1 7.982 . A 46 GLY HA2 H 1 4.107 . A 46 GLY HA3 H 1 4.221 . A 46 GLY C C 13 174.774 . A 46 GLY CA C 13 45.737 . A 46 GLY N N 15 107.932 . A 47 ARG H H 1 7.867 . A 47 ARG HA H 1 4.168 . A 47 ARG HB2 H 1 1.919 . A 47 ARG HD2 H 1 2.969 . A 47 ARG HD3 H 1 3.215 . A 47 ARG HG2 H 1 1.6 . A 47 ARG C C 13 174.918 . A 47 ARG CA C 13 57.64 . A 47 ARG CB C 13 32.1 . A 47 ARG CD C 13 44.02 . A 47 ARG CG C 13 27.598 . A 47 ARG N N 15 120.867 . A 48 GLU H H 1 8.144 . A 48 GLU HA H 1 5.513 . A 48 GLU HB2 H 1 1.845 . A 48 GLU HB3 H 1 1.929 . A 48 GLU HG2 H 1 2.196 . A 48 GLU HG3 H 1 1.981 . A 48 GLU C C 13 175.786 . A 48 GLU CA C 13 54.727 . A 48 GLU CB C 13 32.43 . A 48 GLU CG C 13 37.532 . A 48 GLU N N 15 121.163 . A 49 LEU H H 1 8.865 . A 49 LEU HA H 1 4.774 . A 49 LEU HB2 H 1 1.439 . A 49 LEU HB3 H 1 1.509 . A 49 LEU HD1% H 1 0.456 . A 49 LEU HD2% H 1 0.549 . A 49 LEU HG H 1 1.273 . A 49 LEU C C 13 174.909 . A 49 LEU CA C 13 53.81 . A 49 LEU CB C 13 45.79 . A 49 LEU CD1 C 13 25.282 . A 49 LEU CD2 C 13 24.354 . A 49 LEU CG C 13 26.429 . A 49 LEU N N 15 123.051 . A 50 CYS H H 1 8.604 . A 50 CYS HA H 1 5.973 . A 50 CYS HB2 H 1 4.057 . A 50 CYS HB3 H 1 3.394 . A 50 CYS C C 13 174.46 . A 50 CYS CA C 13 55.82 . A 50 CYS CB C 13 47.18 . A 50 CYS N N 15 118.165 . A 51 LEU H H 1 8.839 . A 51 LEU HA H 1 5.066 . A 51 LEU HB2 H 1 1.326 . A 51 LEU HD1% H 1 0.732 . A 51 LEU HD2% H 1 1.11 . A 51 LEU HG H 1 1.667 . A 51 LEU C C 13 176.151 . A 51 LEU CA C 13 52.805 . A 51 LEU CB C 13 44.18 . A 51 LEU CD1 C 13 25.643 . A 51 LEU CD2 C 13 23.128 . A 51 LEU CG C 13 27.484 . A 51 LEU N N 15 121.457 . A 52 ASP H H 1 8.254 . A 52 ASP HA H 1 4.538 . A 52 ASP HB2 H 1 2.855 . A 52 ASP HB3 H 1 2.363 . A 52 ASP CA C 13 51.59 . A 52 ASP CB C 13 42.278 . A 52 ASP N N 15 122.389 . A 53 PRO HA H 1 4.04 . A 53 PRO HB2 H 1 2.097 . A 53 PRO HD2 H 1 3.95 . A 53 PRO HD3 H 1 4.305 . A 53 PRO HG2 H 1 1.959 . A 53 PRO HG3 H 1 1.925 . A 53 PRO C C 13 177.313 . A 53 PRO CA C 13 63.79 . A 53 PRO CB C 13 32.32 . A 53 PRO CD C 13 51.214 . A 53 PRO CG C 13 26.95 . A 54 LYS H H 1 8.183 . A 54 LYS HA H 1 4.069 . A 54 LYS HB2 H 1 1.921 . A 54 LYS HB3 H 1 1.829 . A 54 LYS C C 13 177.775 . A 54 LYS CA C 13 56.93 . A 54 LYS CB C 13 32.246 . A 54 LYS CD C 13 28.6 . A 54 LYS CG C 13 25.07 . A 54 LYS N N 15 115.716 . A 55 GLU H H 1 7.252 . A 55 GLU HA H 1 4.252 . A 55 GLU HB2 H 1 2.052 . A 55 GLU HB3 H 1 1.712 . A 55 GLU HG2 H 1 2.224 . A 55 GLU HG3 H 1 2.532 . A 55 GLU CA C 13 55.627 . A 55 GLU CB C 13 30.712 . A 55 GLU CG C 13 36.49 . A 55 GLU N N 15 118.506 . A 56 ASN HA H 1 4.272 . A 56 ASN HB2 H 1 2.91 . A 56 ASN HB3 H 1 2.994 . A 56 ASN CB C 13 38.614 . A 57 TRP H H 1 9.018 . A 57 TRP HA H 1 4.296 . A 57 TRP HB2 H 1 3.545 . A 57 TRP HB3 H 1 3.247 . A 57 TRP HD1 H 1 8.843 . A 57 TRP HE1 H 1 9.969 . A 57 TRP HE3 H 1 7.713 . A 57 TRP HZ3 H 1 7.302 . A 57 TRP C C 13 177.924 . A 57 TRP CA C 13 59.86 . A 57 TRP CB C 13 26.541 . A 57 TRP N N 15 117.463 . A 57 TRP NE1 N 15 129.159 . A 58 VAL H H 1 5.861 . A 58 VAL HA H 1 2.657 . A 58 VAL HB H 1 1.881 . A 58 VAL HG1% H 1 0.445 . A 58 VAL HG2% H 1 0.337 . A 58 VAL C C 13 177.358 . A 58 VAL CA C 13 65.52 . A 58 VAL CB C 13 31.17 . A 58 VAL CG1 C 13 21.554 . A 58 VAL CG2 C 13 22.129 . A 58 VAL N N 15 123.318 . A 59 GLN H H 1 7.424 . A 59 GLN HA H 1 3.769 . A 59 GLN HB2 H 1 2.053 . A 59 GLN HB3 H 1 2.134 . A 59 GLN HE21 H 1 7.437 . A 59 GLN HE22 H 1 6.624 . A 59 GLN HG2 H 1 2.424 . A 59 GLN HG3 H 1 2.376 . A 59 GLN C C 13 178.838 . A 59 GLN CA C 13 59.104 . A 59 GLN CB C 13 27.326 . A 59 GLN CG C 13 33.43 . A 59 GLN N N 15 118.989 . A 59 GLN NE2 N 15 110.432 . A 60 ARG H H 1 7.738 . A 60 ARG HA H 1 4.221 . A 60 ARG HB2 H 1 1.954 . A 60 ARG HB3 H 1 2.035 . A 60 ARG HD2 H 1 3.22 . A 60 ARG HG2 H 1 1.767 . A 60 ARG HG3 H 1 1.863 . A 60 ARG C C 13 179.123 . A 60 ARG CA C 13 58.4 . A 60 ARG CB C 13 30.96 . A 60 ARG CD C 13 43.55 . A 60 ARG CG C 13 26.751 . A 60 ARG N N 15 115.483 . A 61 VAL H H 1 7.55 . A 61 VAL HA H 1 3.904 . A 61 VAL HB H 1 2.275 . A 61 VAL HG1% H 1 1.189 . A 61 VAL C C 13 177.923 . A 61 VAL CA C 13 66.21 . A 61 VAL CB C 13 31.698 . A 61 VAL CG1 C 13 23.309 . A 61 VAL CG2 C 13 21.63 . A 61 VAL N N 15 120.112 . A 62 VAL H H 1 8.22 . A 62 VAL HA H 1 3.579 . A 62 VAL HB H 1 2.156 . A 62 VAL HG1% H 1 0.93 . A 62 VAL HG2% H 1 0.9 . A 62 VAL C C 13 177.947 . A 62 VAL CA C 13 66.59 . A 62 VAL CB C 13 31.54 . A 62 VAL CG1 C 13 23.093 . A 62 VAL CG2 C 13 21.785 . A 62 VAL N N 15 119.317 . A 63 GLU H H 1 7.449 . A 63 GLU HA H 1 4.066 . A 63 GLU HB2 H 1 2.201 . A 63 GLU HB3 H 1 2.097 . A 63 GLU HG2 H 1 2.407 . A 63 GLU HG3 H 1 2.448 . A 63 GLU C C 13 177.926 . A 63 GLU CA C 13 58.66 . A 63 GLU CB C 13 29.853 . A 63 GLU CG C 13 36.32 . A 63 GLU N N 15 115.86 . A 64 LYS H H 1 7.487 . A 64 LYS HA H 1 4.243 . A 64 LYS HB2 H 1 1.889 . A 64 LYS HB3 H 1 1.795 . A 64 LYS HD2 H 1 1.617 . A 64 LYS HE2 H 1 3.223 . A 64 LYS HG2 H 1 1.482 . A 64 LYS C C 13 176.931 . A 64 LYS CA C 13 56.774 . A 64 LYS CB C 13 32.3 . A 64 LYS CG C 13 27.77 . A 64 LYS N N 15 116.242 . A 65 PHE H H 1 7.984 . A 65 PHE HA H 1 4.492 . A 65 PHE HB2 H 1 3.357 . A 65 PHE HB3 H 1 2.887 . A 65 PHE HD1 H 1 7.475 . A 65 PHE HE1 H 1 7.275 . A 65 PHE CA C 13 59.25 . A 65 PHE CB C 13 41.181 . A 65 PHE N N 15 118.569 . stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 3 LYS HA A 3 LYS HG2 1.0 1.8 4.2 2 1 A 3 LYS HA A 3 LYS HGy 1.0 1.8 4.2 3 2 A 3 LYS HB3 A 3 LYS HE2 1.0 1.8 7.0 4 2 A 3 LYS HB3 A 3 LYS HEy 1.0 1.8 7.0 5 3 A 3 LYS HB2 A 3 LYS HE2 1.0 1.8 7.0 6 3 A 3 LYS HEy A 3 LYS HB2 1.0 1.8 7.0 7 4 A 4 GLU HA A 4 GLU HG2 1.0 1.8 4.2 8 4 A 4 GLU HA A 4 GLU HGy 1.0 1.8 4.2 9 5 A 5 LEU HA A 5 LEU HG 1.0 1.8 5.6 10 6 A 5 LEU HA A 5 LEU HD1% 1.0 1.8 4.2 11 6 A 5 LEU HA A 5 LEU HD2% 1.0 1.8 4.2 12 7 A 5 LEU HA A 6 ARG H 1.0 1.8 4.2 13 8 A 5 LEU HG A 6 ARG H 1.0 1.8 5.6 14 9 A 6 ARG H A 5 LEU HD1% 1.0 1.8 5.6 15 9 A 5 LEU HD2% A 6 ARG H 1.0 1.8 5.6 16 10 A 6 ARG HA A 5 LEU HB2 1.0 1.8 5.6 17 10 A 5 LEU HB3 A 6 ARG HA 1.0 1.8 5.6 18 11 A 6 ARG H A 6 ARG HG2 1.0 1.8 5.6 19 11 A 6 ARG H A 6 ARG HGy 1.0 1.8 5.6 20 12 A 6 ARG HA A 6 ARG HG2 1.0 1.8 5.6 21 12 A 6 ARG HA A 6 ARG HGy 1.0 1.8 5.6 22 13 A 6 ARG HB3 A 6 ARG HD2 1.0 1.8 4.2 23 13 A 6 ARG HB2 A 6 ARG HD2 1.0 1.8 4.2 24 13 A 6 ARG HD3 A 6 ARG HB3 1.0 1.8 4.2 25 13 A 6 ARG HB2 A 6 ARG HD3 1.0 1.8 4.2 26 14 A 7 CYS H A 6 ARG HB3 1.0 1.8 4.2 27 15 A 6 ARG HB2 A 7 CYS H 1.0 1.8 4.2 28 16 A 7 CYS H A 6 ARG HG2 1.0 1.8 5.6 29 16 A 6 ARG HGy A 7 CYS H 1.0 1.8 5.6 30 17 A 6 ARG HA A 7 CYS HA 1.0 1.8 7.0 31 18 A 7 CYS HA A 34 CYS HB2 1.0 1.8 4.2 32 18 A 7 CYS HA A 34 CYS HB3 1.0 1.8 4.2 33 19 A 8 GLN H A 7 CYS HB3 1.0 1.8 5.6 34 20 A 8 GLN H A 7 CYS HB2 1.0 1.8 5.6 35 21 A 8 GLN H A 8 GLN HB2 1.0 1.8 4.2 36 21 A 8 GLN H A 8 GLN HB3 1.0 1.8 4.2 37 22 A 8 GLN H A 8 GLN HB3 1.0 1.8 4.2 38 23 A 8 GLN H A 8 GLN HB2 1.0 1.8 4.2 39 24 A 8 GLN H A 8 GLN HG2 1.0 1.8 4.2 40 24 A 8 GLN H A 8 GLN HGy 1.0 1.8 4.2 41 25 A 8 GLN HA A 8 GLN HG2 1.0 1.8 4.2 42 25 A 8 GLN HGy A 8 GLN HA 1.0 1.8 4.2 43 26 A 8 GLN HE21 A 8 GLN HB2 1.0 1.8 5.6 44 26 A 8 GLN HB3 A 8 GLN HE21 1.0 1.8 5.6 45 26 A 8 GLN HE22 A 8 GLN HB2 1.0 1.8 5.6 46 26 A 8 GLN HB3 A 8 GLN HE22 1.0 1.8 5.6 47 27 A 9 CYS H A 7 CYS HB2 1.0 1.8 4.2 48 27 A 7 CYS HB3 A 9 CYS H 1.0 1.8 4.2 49 28 A 8 GLN H A 9 CYS H 1.0 1.8 4.2 50 29 A 9 CYS H A 8 GLN HB2 1.0 1.8 5.6 51 29 A 8 GLN HB3 A 9 CYS H 1.0 1.8 5.6 52 30 A 9 CYS H A 8 GLN HG2 1.0 1.8 5.6 53 30 A 8 GLN HGy A 9 CYS H 1.0 1.8 5.6 54 31 A 9 CYS HA A 8 GLN HG2 1.0 1.8 5.6 55 31 A 8 GLN HGy A 9 CYS HA 1.0 1.8 5.6 56 32 A 8 GLN HG2 A 9 CYS HB2 1.0 1.8 5.6 57 32 A 8 GLN HGy A 9 CYS HB2 1.0 1.8 5.6 58 32 A 9 CYS HB3 A 8 GLN HG2 1.0 1.8 5.6 59 32 A 8 GLN HGy A 9 CYS HB3 1.0 1.8 5.6 60 33 A 9 CYS H A 9 CYS HB2 1.0 1.8 4.2 61 33 A 9 CYS H A 9 CYS HB3 1.0 1.8 4.2 62 34 A 10 ILE H A 9 CYS HB2 1.0 1.8 5.6 63 34 A 9 CYS HB3 A 10 ILE H 1.0 1.8 5.6 64 35 A 9 CYS HA A 10 ILE HA 1.0 1.8 5.6 65 36 A 10 ILE HA A 9 CYS HB2 1.0 1.8 5.6 66 36 A 9 CYS HB3 A 10 ILE HA 1.0 1.8 5.6 67 37 A 10 ILE HB A 9 CYS HB2 1.0 1.8 7.0 68 37 A 9 CYS HB3 A 10 ILE HB 1.0 1.8 7.0 69 38 A 10 ILE H A 10 ILE HD1% 1.0 1.8 5.6 70 39 A 10 ILE HB A 10 ILE HD1% 1.0 1.8 5.6 71 40 A 10 ILE HA A 10 ILE HG2% 1.0 1.8 4.2 72 41 A 11 LYS HE2 A 11 LYS HG2 1.0 1.8 4.2 73 41 A 11 LYS HEy A 11 LYS HG2 1.0 1.8 4.2 74 41 A 11 LYS HGy A 11 LYS HE2 1.0 1.8 4.2 75 41 A 11 LYS HGy A 11 LYS HEy 1.0 1.8 4.2 76 42 A 12 THR HA A 12 THR HG2% 1.0 1.8 4.2 77 43 A 12 THR HA A 13 TYR H 1.0 1.8 2.8 78 44 A 13 TYR H A 12 THR HB 1.0 1.8 5.6 79 45 A 57 TRP HE1 A 13 TYR HE% 1.0 1.8 7.0 80 46 A 57 TRP HE1 A 14 SER HB2 1.0 1.8 7.0 81 46 A 57 TRP HE1 A 14 SER HB3 1.0 1.8 7.0 82 47 A 16 PRO HD3 A 55 GLU HB2 1.0 1.8 5.6 83 47 A 16 PRO HD2 A 55 GLU HB2 1.0 1.8 5.6 84 47 A 55 GLU HB3 A 16 PRO HD2 1.0 1.8 5.6 85 47 A 55 GLU HB3 A 16 PRO HD3 1.0 1.8 5.6 86 48 A 57 TRP HE1 A 16 PRO HD2 1.0 1.8 7.0 87 48 A 57 TRP HE1 A 16 PRO HD3 1.0 1.8 7.0 88 49 A 57 TRP HE3 A 16 PRO HD2 1.0 1.8 7.0 89 49 A 16 PRO HD3 A 57 TRP HE3 1.0 1.8 7.0 90 50 A 17 PHE H A 16 PRO HG2 1.0 1.8 5.6 91 50 A 16 PRO HG3 A 17 PHE H 1.0 1.8 5.6 92 51 A 16 PRO HG3 A 17 PHE H 1.0 1.8 5.6 93 52 A 17 PHE H A 16 PRO HG2 1.0 1.8 5.6 94 53 A 41 VAL HG2% A 17 PHE HB2 1.0 1.8 7.0 95 53 A 41 VAL HG2% A 17 PHE HBy 1.0 1.8 7.0 96 54 A 20 LYS HE2 A 20 LYS HG2 1.0 1.8 5.6 97 54 A 20 LYS HEy A 20 LYS HG2 1.0 1.8 5.6 98 54 A 20 LYS HGy A 20 LYS HE2 1.0 1.8 5.6 99 54 A 20 LYS HGy A 20 LYS HEy 1.0 1.8 5.6 100 55 A 65 PHE HE% A 20 LYS HB2 1.0 1.8 5.6 101 56 A 21 PHE H A 21 PHE HB3 1.0 1.8 4.2 102 56 A 21 PHE H A 21 PHE HB2 1.0 1.8 4.2 103 57 A 21 PHE H A 21 PHE HB3 1.0 1.8 4.2 104 58 A 21 PHE H A 21 PHE HB2 1.0 1.8 4.2 105 59 A 21 PHE H A 21 PHE HD% 1.0 1.8 5.6 106 60 A 22 ILE H A 21 PHE HB3 1.0 1.8 5.6 107 61 A 21 PHE HB2 A 22 ILE H 1.0 1.8 5.6 108 62 A 21 PHE HD% A 22 ILE H 1.0 1.8 7.0 109 63 A 21 PHE H A 22 ILE HA 1.0 1.8 7.0 110 64 A 22 ILE HA A 21 PHE HB3 1.0 1.8 7.0 111 64 A 21 PHE HB2 A 22 ILE HA 1.0 1.8 7.0 112 65 A 22 ILE HB A 21 PHE HB3 1.0 1.8 7.0 113 65 A 21 PHE HB2 A 22 ILE HB 1.0 1.8 7.0 114 66 A 21 PHE HB3 A 22 ILE HG13 1.0 1.8 7.0 115 66 A 21 PHE HB2 A 22 ILE HG13 1.0 1.8 7.0 116 66 A 22 ILE HG12 A 21 PHE HB3 1.0 1.8 7.0 117 66 A 21 PHE HB2 A 22 ILE HG12 1.0 1.8 7.0 118 67 A 22 ILE H A 22 ILE HB 1.0 1.8 4.2 119 68 A 22 ILE H A 22 ILE HG13 1.0 1.8 4.2 120 69 A 22 ILE H A 22 ILE HG12 1.0 1.8 4.2 121 70 A 22 ILE HA A 22 ILE HG13 1.0 1.8 4.2 122 70 A 22 ILE HA A 22 ILE HG12 1.0 1.8 4.2 123 71 A 22 ILE HG2% A 22 ILE HG13 1.0 1.8 4.2 124 71 A 22 ILE HG12 A 22 ILE HG2% 1.0 1.8 4.2 125 72 A 22 ILE HA A 22 ILE HG2% 1.0 1.8 4.2 126 73 A 22 ILE HA A 22 ILE HD1% 1.0 1.8 5.6 127 74 A 22 ILE HB A 22 ILE HD1% 1.0 1.8 2.8 128 75 A 22 ILE HG2% A 22 ILE HD1% 1.0 1.8 4.2 129 76 A 22 ILE H A 65 PHE HB3 1.0 1.8 7.0 130 76 A 22 ILE H A 65 PHE HB2 1.0 1.8 7.0 131 77 A 65 PHE HE% A 22 ILE HG13 1.0 1.8 5.6 132 77 A 65 PHE HE% A 22 ILE HG12 1.0 1.8 5.6 133 78 A 65 PHE HE% A 22 ILE HG2% 1.0 1.8 5.6 134 79 A 22 ILE HD1% A 65 PHE HB3 1.0 1.8 7.0 135 79 A 65 PHE HB2 A 22 ILE HD1% 1.0 1.8 7.0 136 80 A 65 PHE HE% A 22 ILE HD1% 1.0 1.8 4.2 137 81 A 22 ILE H A 23 LYS H 1.0 1.8 5.6 138 82 A 22 ILE HA A 23 LYS H 1.0 1.8 4.2 139 83 A 23 LYS H A 22 ILE HG13 1.0 1.8 5.6 140 83 A 22 ILE HG12 A 23 LYS H 1.0 1.8 5.6 141 84 A 22 ILE HG2% A 23 LYS H 1.0 1.8 5.6 142 85 A 23 LYS H A 23 LYS HB3 1.0 1.8 4.2 143 86 A 23 LYS H A 23 LYS HB2 1.0 1.8 4.2 144 87 A 23 LYS HE2 A 23 LYS HG2 1.0 1.8 2.8 145 87 A 23 LYS HGy A 23 LYS HE2 1.0 1.8 2.8 146 87 A 23 LYS HGy A 23 LYS HE3 1.0 1.8 2.8 147 87 A 23 LYS HE3 A 23 LYS HG2 1.0 1.8 2.8 148 88 A 23 LYS HDy A 23 LYS HE2 1.0 1.8 2.8 149 88 A 23 LYS HD2 A 23 LYS HE2 1.0 1.8 2.8 150 88 A 23 LYS HE3 A 23 LYS HD2 1.0 1.8 2.8 151 88 A 23 LYS HE3 A 23 LYS HDy 1.0 1.8 2.8 152 89 A 22 ILE HA A 24 GLU H 1.0 1.8 4.2 153 90 A 22 ILE HG2% A 24 GLU H 1.0 1.8 4.2 154 91 A 23 LYS H A 24 GLU H 1.0 1.8 4.2 155 92 A 23 LYS H A 24 GLU HB2 1.0 1.8 5.6 156 92 A 23 LYS H A 24 GLU HB3 1.0 1.8 5.6 157 93 A 24 GLU H A 24 GLU HB2 1.0 1.8 4.2 158 93 A 24 GLU H A 24 GLU HB3 1.0 1.8 4.2 159 94 A 24 GLU HA A 24 GLU HG2 1.0 1.8 4.2 160 94 A 24 GLU HA A 24 GLU HG3 1.0 1.8 4.2 161 95 A 22 ILE HG2% A 25 LEU H 1.0 1.8 7.0 162 96 A 24 GLU HA A 25 LEU H 1.0 1.8 4.2 163 97 A 25 LEU H A 24 GLU HB2 1.0 1.8 4.2 164 97 A 24 GLU HB3 A 25 LEU H 1.0 1.8 4.2 165 98 A 25 LEU HA A 25 LEU HG 1.0 1.8 4.2 166 99 A 25 LEU HA A 25 LEU HD2% 1.0 1.8 5.6 167 99 A 25 LEU HA A 25 LEU HD11 1.0 1.8 5.6 168 100 A 25 LEU H A 25 LEU HD2% 1.0 1.8 4.2 169 100 A 25 LEU H A 25 LEU HD11 1.0 1.8 4.2 170 101 A 25 LEU HD11 A 62 VAL HA 1.0 1.8 5.6 171 102 A 62 VAL HA A 25 LEU HD2% 1.0 1.8 7.0 172 103 A 25 LEU H A 26 ARG H 1.0 1.8 5.6 173 104 A 25 LEU HG A 26 ARG H 1.0 1.8 4.2 174 105 A 26 ARG H A 25 LEU HD2% 1.0 1.8 4.2 175 105 A 25 LEU HD11 A 26 ARG H 1.0 1.8 4.2 176 106 A 26 ARG HA A 26 ARG HB2 1.0 1.8 2.8 177 106 A 26 ARG HA A 26 ARG HBy 1.0 1.8 2.8 178 107 A 26 ARG HA A 26 ARG HG2 1.0 1.8 4.2 179 107 A 26 ARG HA A 26 ARG HGy 1.0 1.8 4.2 180 108 A 26 ARG HA A 26 ARG HD3 1.0 1.8 4.2 181 108 A 26 ARG HA A 26 ARG HD2 1.0 1.8 4.2 182 109 A 26 ARG HA A 26 ARG HD3 1.0 1.8 5.6 183 110 A 26 ARG HA A 26 ARG HD2 1.0 1.8 5.6 184 111 A 26 ARG HB2 A 26 ARG HD3 1.0 1.8 4.2 185 111 A 26 ARG HBy A 26 ARG HD3 1.0 1.8 4.2 186 111 A 26 ARG HD2 A 26 ARG HB2 1.0 1.8 4.2 187 111 A 26 ARG HBy A 26 ARG HD2 1.0 1.8 4.2 188 112 A 27 VAL H A 26 ARG HB2 1.0 1.8 5.6 189 112 A 26 ARG HBy A 27 VAL H 1.0 1.8 5.6 190 113 A 27 VAL H A 27 VAL HB 1.0 1.8 4.2 191 114 A 27 VAL HA A 27 VAL HG1% 1.0 1.8 4.2 192 115 A 27 VAL HA A 27 VAL HG2% 1.0 1.8 4.2 193 116 A 27 VAL H A 28 ILE H 1.0 1.8 5.6 194 117 A 27 VAL HA A 28 ILE H 1.0 1.8 4.2 195 118 A 28 ILE H A 27 VAL HG2% 1.0 1.8 5.6 196 118 A 28 ILE H A 27 VAL HG1% 1.0 1.8 5.6 197 119 A 28 ILE H A 27 VAL HG1% 1.0 1.8 5.6 198 120 A 28 ILE H A 27 VAL HG2% 1.0 1.8 5.6 199 121 A 27 VAL H A 28 ILE HB 1.0 1.8 7.0 200 122 A 28 ILE H A 28 ILE HB 1.0 1.8 4.2 201 123 A 28 ILE H A 28 ILE HG12 1.0 1.8 5.6 202 123 A 28 ILE H A 28 ILE HG1y 1.0 1.8 5.6 203 124 A 28 ILE HA A 28 ILE HG12 1.0 1.8 4.2 204 124 A 28 ILE HG1y A 28 ILE HA 1.0 1.8 4.2 205 125 A 28 ILE H A 28 ILE HG2% 1.0 1.8 4.2 206 126 A 28 ILE HA A 28 ILE HG2% 1.0 1.8 4.2 207 127 A 28 ILE HA A 28 ILE HD1% 1.0 1.8 4.2 208 128 A 28 ILE HB A 28 ILE HD1% 1.0 1.8 2.8 209 129 A 28 ILE HG2% A 29 GLU H 1.0 1.8 5.6 210 130 A 28 ILE HD1% A 29 GLU H 1.0 1.8 5.6 211 131 A 29 GLU H A 29 GLU HB2 1.0 1.8 4.2 212 131 A 29 GLU H A 29 GLU HB3 1.0 1.8 4.2 213 132 A 30 SER H A 30 SER HB2 1.0 1.8 4.2 214 132 A 30 SER H A 30 SER HB3 1.0 1.8 4.2 215 133 A 30 SER H A 30 SER HB3 1.0 1.8 4.2 216 134 A 30 SER H A 30 SER HB2 1.0 1.8 4.2 217 135 A 31 GLY H A 30 SER HB2 1.0 1.8 4.2 218 135 A 30 SER HB3 A 31 GLY H 1.0 1.8 4.2 219 136 A 2 ALA H A 32 PRO HD2 1.0 1.8 7.0 220 136 A 2 ALA H A 32 PRO HD3 1.0 1.8 7.0 221 137 A 33 HIS HA A 5 LEU HD1% 1.0 1.8 4.2 222 137 A 5 LEU HD2% A 33 HIS HA 1.0 1.8 4.2 223 138 A 5 LEU HB2 A 33 HIS HB2 1.0 1.8 5.6 224 138 A 5 LEU HB3 A 33 HIS HB2 1.0 1.8 5.6 225 138 A 33 HIS HBy A 5 LEU HB2 1.0 1.8 5.6 226 138 A 5 LEU HB3 A 33 HIS HBy 1.0 1.8 5.6 227 139 A 5 LEU HD1% A 33 HIS HB2 1.0 1.8 5.6 228 139 A 5 LEU HD2% A 33 HIS HB2 1.0 1.8 5.6 229 139 A 33 HIS HBy A 5 LEU HD1% 1.0 1.8 5.6 230 139 A 5 LEU HD2% A 33 HIS HBy 1.0 1.8 5.6 231 140 A 6 ARG H A 33 HIS HB2 1.0 1.8 7.0 232 140 A 6 ARG H A 33 HIS HBy 1.0 1.8 7.0 233 141 A 3 LYS HEy A 33 HIS HD2 1.0 1.8 5.6 234 141 A 33 HIS HD1 A 3 LYS HE2 1.0 1.8 5.6 235 141 A 33 HIS HD2 A 3 LYS HE2 1.0 1.8 5.6 236 141 A 3 LYS HEy A 33 HIS HD1 1.0 1.8 5.6 237 142 A 30 SER HA A 33 HIS H 1.0 1.8 7.0 238 143 A 33 HIS HA A 33 HIS HB2 1.0 1.8 2.8 239 143 A 33 HIS HA A 33 HIS HBy 1.0 1.8 2.8 240 144 A 33 HIS HD2 A 33 HIS HB2 1.0 1.8 4.2 241 144 A 33 HIS HBy A 33 HIS HD2 1.0 1.8 4.2 242 145 A 30 SER HA A 34 CYS H 1.0 1.8 5.6 243 146 A 30 SER HA A 34 CYS HB2 1.0 1.8 5.6 244 146 A 34 CYS HB3 A 30 SER HA 1.0 1.8 5.6 245 147 A 30 SER HB3 A 34 CYS HB2 1.0 1.8 5.6 246 147 A 30 SER HB2 A 34 CYS HB2 1.0 1.8 5.6 247 147 A 34 CYS HB3 A 30 SER HB2 1.0 1.8 5.6 248 147 A 34 CYS HB3 A 30 SER HB3 1.0 1.8 5.6 249 148 A 31 GLY H A 34 CYS H 1.0 1.8 5.6 250 149 A 33 HIS H A 34 CYS H 1.0 1.8 5.6 251 150 A 34 CYS H A 33 HIS HB2 1.0 1.8 4.2 252 150 A 33 HIS HBy A 34 CYS H 1.0 1.8 4.2 253 151 A 33 HIS HD2 A 34 CYS H 1.0 1.8 7.0 254 152 A 35 ALA HB% A 30 SER HB2 1.0 1.8 7.0 255 152 A 30 SER HB3 A 35 ALA HB% 1.0 1.8 7.0 256 153 A 36 ASN H A 30 SER HB2 1.0 1.8 5.6 257 153 A 30 SER HB3 A 36 ASN H 1.0 1.8 5.6 258 154 A 36 ASN HA A 30 SER HB2 1.0 1.8 5.6 259 154 A 30 SER HB3 A 36 ASN HA 1.0 1.8 5.6 260 155 A 36 ASN H A 36 ASN HB2 1.0 1.8 4.2 261 155 A 36 ASN H A 36 ASN HB3 1.0 1.8 4.2 262 156 A 29 GLU HA A 37 THR HG2% 1.0 1.8 4.2 263 157 A 37 THR HG2% A 29 GLU HG2 1.0 1.8 5.6 264 157 A 37 THR HG2% A 29 GLU HGy 1.0 1.8 5.6 265 158 A 30 SER H A 37 THR HG2% 1.0 1.8 5.6 266 159 A 37 THR HG2% A 37 THR HA 1.0 1.8 4.2 267 160 A 28 ILE H A 38 GLU H 1.0 1.8 7.0 268 161 A 28 ILE HB A 38 GLU H 1.0 1.8 7.0 269 162 A 37 THR HA A 38 GLU H 1.0 1.8 4.2 270 163 A 37 THR HG2% A 38 GLU H 1.0 1.8 5.6 271 164 A 38 GLU H A 38 GLU HB2 1.0 1.8 4.2 272 164 A 38 GLU H A 38 GLU HB3 1.0 1.8 4.2 273 165 A 38 GLU HA A 38 GLU HB2 1.0 1.8 2.8 274 165 A 38 GLU HB3 A 38 GLU HA 1.0 1.8 2.8 275 166 A 38 GLU H A 38 GLU HG2 1.0 1.8 5.6 276 166 A 38 GLU H A 38 GLU HGy 1.0 1.8 5.6 277 167 A 38 GLU HA A 38 GLU HG2 1.0 1.8 4.2 278 167 A 38 GLU HA A 38 GLU HGy 1.0 1.8 4.2 279 168 A 39 ILE H A 39 ILE HB 1.0 1.8 4.2 280 169 A 39 ILE H A 39 ILE HG12 1.0 1.8 5.6 281 169 A 39 ILE H A 39 ILE HG1y 1.0 1.8 5.6 282 170 A 39 ILE HA A 39 ILE HG12 1.0 1.8 4.2 283 170 A 39 ILE HG1y A 39 ILE HA 1.0 1.8 4.2 284 171 A 39 ILE H A 39 ILE HG2% 1.0 1.8 5.6 285 172 A 39 ILE HA A 39 ILE HG2% 1.0 1.8 4.2 286 173 A 39 ILE H A 39 ILE HD1% 1.0 1.8 5.6 287 174 A 39 ILE HB A 39 ILE HD1% 1.0 1.8 2.8 288 175 A 40 ILE HG2% A 8 GLN HG2 1.0 1.8 5.6 289 175 A 8 GLN HGy A 40 ILE HG2% 1.0 1.8 5.6 290 176 A 40 ILE HG2% A 8 GLN HE21 1.0 1.8 5.6 291 177 A 40 ILE HG2% A 8 GLN HE22 1.0 1.8 5.6 292 178 A 39 ILE H A 40 ILE H 1.0 1.8 5.6 293 179 A 39 ILE HA A 40 ILE H 1.0 1.8 4.2 294 180 A 39 ILE HD1% A 40 ILE H 1.0 1.8 5.6 295 181 A 40 ILE HA A 40 ILE HG13 1.0 1.8 4.2 296 182 A 40 ILE HA A 40 ILE HG12 1.0 1.8 4.2 297 183 A 40 ILE HA A 40 ILE HG13 1.0 1.8 4.2 298 183 A 40 ILE HA A 40 ILE HG12 1.0 1.8 4.2 299 184 A 40 ILE HG2% A 40 ILE HA 1.0 1.8 4.2 300 185 A 40 ILE HB A 40 ILE HD1% 1.0 1.8 4.2 301 186 A 22 ILE HG2% A 41 VAL HA 1.0 1.8 5.6 302 187 A 22 ILE HA A 41 VAL HB 1.0 1.8 5.6 303 188 A 22 ILE HG2% A 41 VAL HB 1.0 1.8 4.2 304 189 A 25 LEU HA A 41 VAL HA 1.0 1.8 4.2 305 190 A 41 VAL HA A 25 LEU HD2% 1.0 1.8 4.2 306 190 A 25 LEU HD11 A 41 VAL HA 1.0 1.8 4.2 307 191 A 25 LEU HA A 41 VAL HB 1.0 1.8 5.6 308 192 A 25 LEU HA A 41 VAL HG1% 1.0 1.8 5.6 309 193 A 26 ARG H A 41 VAL HA 1.0 1.8 4.2 310 194 A 40 ILE HA A 41 VAL H 1.0 1.8 4.2 311 195 A 41 VAL HB A 41 VAL H 1.0 1.8 4.2 312 196 A 41 VAL HA A 41 VAL HG1% 1.0 1.8 4.2 313 197 A 24 GLU H A 42 LYS H 1.0 1.8 5.6 314 198 A 25 LEU HA A 42 LYS H 1.0 1.8 5.6 315 199 A 42 LYS H A 25 LEU HD2% 1.0 1.8 5.6 316 199 A 25 LEU HD11 A 42 LYS H 1.0 1.8 5.6 317 200 A 26 ARG H A 42 LYS HB2 1.0 1.8 4.2 318 200 A 26 ARG H A 42 LYS HB3 1.0 1.8 4.2 319 201 A 41 VAL H A 42 LYS H 1.0 1.8 5.6 320 202 A 41 VAL HA A 42 LYS H 1.0 1.8 4.2 321 203 A 41 VAL HB A 42 LYS H 1.0 1.8 4.2 322 204 A 41 VAL HG2% A 42 LYS H 1.0 1.8 5.6 323 205 A 41 VAL HG2% A 42 LYS HA 1.0 1.8 7.0 324 206 A 41 VAL HA A 42 LYS HB2 1.0 1.8 5.6 325 206 A 41 VAL HA A 42 LYS HB3 1.0 1.8 5.6 326 207 A 41 VAL HB A 42 LYS HG2 1.0 1.8 7.0 327 207 A 41 VAL HB A 42 LYS HGy 1.0 1.8 7.0 328 208 A 42 LYS H A 42 LYS HB2 1.0 1.8 4.2 329 208 A 42 LYS H A 42 LYS HB3 1.0 1.8 4.2 330 209 A 42 LYS H A 42 LYS HG2 1.0 1.8 4.2 331 209 A 42 LYS H A 42 LYS HGy 1.0 1.8 4.2 332 210 A 21 PHE HB3 A 43 LEU HD2% 1.0 1.8 7.0 333 210 A 21 PHE HB2 A 43 LEU HD2% 1.0 1.8 7.0 334 210 A 43 LEU HD1% A 21 PHE HB3 1.0 1.8 7.0 335 210 A 21 PHE HB2 A 43 LEU HD1% 1.0 1.8 7.0 336 211 A 22 ILE H A 43 LEU HA 1.0 1.8 5.6 337 212 A 22 ILE HA A 43 LEU HA 1.0 1.8 4.2 338 213 A 43 LEU HA A 22 ILE HG13 1.0 1.8 7.0 339 213 A 22 ILE HG12 A 43 LEU HA 1.0 1.8 7.0 340 214 A 22 ILE H A 43 LEU HD2% 1.0 1.8 4.2 341 214 A 22 ILE H A 43 LEU HD1% 1.0 1.8 4.2 342 215 A 22 ILE HA A 43 LEU HD2% 1.0 1.8 4.2 343 215 A 22 ILE HA A 43 LEU HD1% 1.0 1.8 4.2 344 216 A 22 ILE H A 43 LEU HG 1.0 1.8 7.0 345 217 A 22 ILE HA A 43 LEU HG 1.0 1.8 5.6 346 218 A 23 LYS H A 43 LEU HA 1.0 1.8 4.2 347 219 A 23 LYS H A 43 LEU HD2% 1.0 1.8 4.2 348 219 A 23 LYS H A 43 LEU HD1% 1.0 1.8 4.2 349 220 A 24 GLU H A 43 LEU HA 1.0 1.8 5.6 350 221 A 41 VAL HG2% A 43 LEU H 1.0 1.8 7.0 351 222 A 42 LYS H A 43 LEU H 1.0 1.8 5.6 352 223 A 42 LYS HA A 43 LEU H 1.0 1.8 2.8 353 224 A 43 LEU H A 42 LYS HG2 1.0 1.8 4.2 354 224 A 42 LYS HGy A 43 LEU H 1.0 1.8 4.2 355 225 A 43 LEU H A 43 LEU HB2 1.0 1.8 4.2 356 225 A 43 LEU H A 43 LEU HB3 1.0 1.8 4.2 357 226 A 43 LEU HA A 43 LEU HG 1.0 1.8 4.2 358 227 A 43 LEU H A 43 LEU HD2% 1.0 1.8 4.2 359 227 A 43 LEU HD1% A 43 LEU H 1.0 1.8 4.2 360 228 A 43 LEU HD1% A 43 LEU H 1.0 1.8 7.0 361 229 A 43 LEU H A 43 LEU HD2% 1.0 1.8 7.0 362 230 A 43 LEU HA A 43 LEU HD2% 1.0 1.8 4.2 363 230 A 43 LEU HD1% A 43 LEU HA 1.0 1.8 4.2 364 231 A 43 LEU HB2 A 43 LEU HD2% 1.0 1.8 2.8 365 231 A 43 LEU HB3 A 43 LEU HD2% 1.0 1.8 2.8 366 231 A 43 LEU HD1% A 43 LEU HB2 1.0 1.8 2.8 367 231 A 43 LEU HD1% A 43 LEU HB3 1.0 1.8 2.8 368 232 A 44 SER H A 23 LYS HB3 1.0 1.8 5.6 369 232 A 23 LYS HB2 A 44 SER H 1.0 1.8 5.6 370 233 A 44 SER HA A 23 LYS HD2 1.0 1.8 4.2 371 233 A 23 LYS HDy A 44 SER HA 1.0 1.8 4.2 372 234 A 23 LYS HB2 A 44 SER HB2 1.0 1.8 4.2 373 234 A 23 LYS HB3 A 44 SER HB2 1.0 1.8 4.2 374 234 A 44 SER HB3 A 23 LYS HB3 1.0 1.8 4.2 375 234 A 23 LYS HB2 A 44 SER HB3 1.0 1.8 4.2 376 235 A 44 SER H A 43 LEU HB2 1.0 1.8 4.2 377 235 A 43 LEU HB3 A 44 SER H 1.0 1.8 4.2 378 236 A 44 SER H A 43 LEU HD2% 1.0 1.8 5.6 379 236 A 43 LEU HD1% A 44 SER H 1.0 1.8 5.6 380 237 A 44 SER HA A 43 LEU HB2 1.0 1.8 7.0 381 237 A 43 LEU HB3 A 44 SER HA 1.0 1.8 7.0 382 238 A 44 SER HB2 A 45 ASP HB2 1.0 1.8 5.6 383 238 A 44 SER HB3 A 45 ASP HB2 1.0 1.8 5.6 384 238 A 45 ASP HB3 A 44 SER HB2 1.0 1.8 5.6 385 238 A 44 SER HB3 A 45 ASP HB3 1.0 1.8 5.6 386 239 A 46 GLY H A 42 LYS HG2 1.0 1.8 4.2 387 239 A 42 LYS HGy A 46 GLY H 1.0 1.8 4.2 388 240 A 46 GLY H A 42 LYS HD2 1.0 1.8 5.6 389 240 A 46 GLY H A 42 LYS HD3 1.0 1.8 5.6 390 241 A 42 LYS HGy A 46 GLY HA2 1.0 1.8 5.6 391 241 A 42 LYS HG2 A 46 GLY HA2 1.0 1.8 5.6 392 241 A 46 GLY HA3 A 42 LYS HG2 1.0 1.8 5.6 393 241 A 42 LYS HGy A 46 GLY HA3 1.0 1.8 5.6 394 242 A 47 ARG H A 47 ARG HB2 1.0 1.8 4.2 395 242 A 47 ARG H A 47 ARG HBy 1.0 1.8 4.2 396 243 A 47 ARG HA A 47 ARG HB2 1.0 1.8 2.8 397 243 A 47 ARG HBy A 47 ARG HA 1.0 1.8 2.8 398 244 A 47 ARG HA A 47 ARG HG2 1.0 1.8 4.2 399 244 A 47 ARG HA A 47 ARG HGy 1.0 1.8 4.2 400 245 A 47 ARG HA A 47 ARG HD2 1.0 1.8 5.6 401 245 A 47 ARG HA A 47 ARG HD3 1.0 1.8 5.6 402 246 A 48 GLU HA A 40 ILE HG13 1.0 1.8 4.2 403 246 A 40 ILE HG12 A 48 GLU HA 1.0 1.8 4.2 404 247 A 40 ILE HG2% A 48 GLU HB2 1.0 1.8 5.6 405 247 A 40 ILE HG2% A 48 GLU HB3 1.0 1.8 5.6 406 248 A 41 VAL HG2% A 48 GLU HA 1.0 1.8 7.0 407 249 A 42 LYS HA A 48 GLU H 1.0 1.8 7.0 408 250 A 42 LYS HA A 48 GLU HA 1.0 1.8 5.6 409 251 A 43 LEU H A 48 GLU HA 1.0 1.8 5.6 410 252 A 48 GLU HA A 43 LEU HD2% 1.0 1.8 7.0 411 252 A 43 LEU HD1% A 48 GLU HA 1.0 1.8 7.0 412 253 A 47 ARG HA A 48 GLU H 1.0 1.8 4.2 413 254 A 48 GLU H A 47 ARG HB2 1.0 1.8 7.0 414 254 A 47 ARG HBy A 48 GLU H 1.0 1.8 7.0 415 255 A 48 GLU H A 47 ARG HD2 1.0 1.8 4.2 416 255 A 47 ARG HD3 A 48 GLU H 1.0 1.8 4.2 417 256 A 48 GLU H A 48 GLU HB2 1.0 1.8 4.2 418 256 A 48 GLU HB3 A 48 GLU H 1.0 1.8 4.2 419 257 A 48 GLU HA A 48 GLU HB2 1.0 1.8 2.8 420 257 A 48 GLU HA A 48 GLU HB3 1.0 1.8 2.8 421 258 A 48 GLU H A 48 GLU HG3 1.0 1.8 2.8 422 258 A 48 GLU H A 48 GLU HG2 1.0 1.8 2.8 423 259 A 48 GLU HA A 48 GLU HG3 1.0 1.8 4.2 424 259 A 48 GLU HA A 48 GLU HG2 1.0 1.8 4.2 425 260 A 48 GLU HA A 48 GLU HG3 1.0 1.8 5.6 426 261 A 48 GLU HA A 48 GLU HG2 1.0 1.8 5.6 427 262 A 22 ILE HD1% A 49 LEU HB3 1.0 1.8 7.0 428 262 A 22 ILE HD1% A 49 LEU HB2 1.0 1.8 7.0 429 263 A 22 ILE HD1% A 49 LEU HB3 1.0 1.8 7.0 430 264 A 22 ILE HD1% A 49 LEU HB2 1.0 1.8 7.0 431 265 A 49 LEU H A 40 ILE HG13 1.0 1.8 4.2 432 265 A 40 ILE HG12 A 49 LEU H 1.0 1.8 4.2 433 266 A 40 ILE HG2% A 49 LEU H 1.0 1.8 5.6 434 267 A 40 ILE HD1% A 49 LEU HA 1.0 1.8 5.6 435 268 A 40 ILE HD1% A 49 LEU HD1% 1.0 1.8 7.0 436 268 A 40 ILE HD1% A 49 LEU HD2% 1.0 1.8 7.0 437 269 A 41 VAL H A 49 LEU H 1.0 1.8 4.2 438 270 A 41 VAL HG2% A 49 LEU H 1.0 1.8 4.2 439 271 A 41 VAL H A 49 LEU HB2 1.0 1.8 5.6 440 271 A 41 VAL H A 49 LEU HB3 1.0 1.8 5.6 441 272 A 42 LYS H A 49 LEU H 1.0 1.8 7.0 442 273 A 42 LYS HA A 49 LEU H 1.0 1.8 5.6 443 274 A 48 GLU HA A 49 LEU H 1.0 1.8 4.2 444 275 A 49 LEU H A 48 GLU HB2 1.0 1.8 4.2 445 275 A 48 GLU HB3 A 49 LEU H 1.0 1.8 4.2 446 276 A 49 LEU H A 49 LEU HG 1.0 1.8 5.6 447 277 A 49 LEU H A 49 LEU HD1% 1.0 1.8 5.6 448 277 A 49 LEU H A 49 LEU HD2% 1.0 1.8 5.6 449 278 A 49 LEU HA A 49 LEU HD1% 1.0 1.8 4.2 450 278 A 49 LEU HA A 49 LEU HD2% 1.0 1.8 4.2 451 279 A 9 CYS HA A 50 CYS HB3 1.0 1.8 5.6 452 280 A 9 CYS HA A 50 CYS HB2 1.0 1.8 5.6 453 281 A 9 CYS HA A 50 CYS HB2 1.0 1.8 4.2 454 281 A 9 CYS HA A 50 CYS HB3 1.0 1.8 4.2 455 282 A 9 CYS HB3 A 50 CYS HB2 1.0 1.8 4.2 456 282 A 9 CYS HB2 A 50 CYS HB2 1.0 1.8 4.2 457 282 A 50 CYS HB3 A 9 CYS HB2 1.0 1.8 4.2 458 282 A 9 CYS HB3 A 50 CYS HB3 1.0 1.8 4.2 459 283 A 12 THR HG2% A 50 CYS H 1.0 1.8 7.0 460 284 A 12 THR HG2% A 50 CYS HB2 1.0 1.8 5.6 461 284 A 12 THR HG2% A 50 CYS HB3 1.0 1.8 5.6 462 285 A 50 CYS H A 40 ILE HG13 1.0 1.8 5.6 463 285 A 40 ILE HG12 A 50 CYS H 1.0 1.8 5.6 464 286 A 40 ILE HA A 50 CYS HA 1.0 1.8 4.2 465 287 A 40 ILE HG2% A 50 CYS HA 1.0 1.8 7.0 466 288 A 40 ILE HG12 A 50 CYS HB2 1.0 1.8 4.2 467 288 A 40 ILE HG13 A 50 CYS HB2 1.0 1.8 4.2 468 288 A 50 CYS HB3 A 40 ILE HG13 1.0 1.8 4.2 469 288 A 40 ILE HG12 A 50 CYS HB3 1.0 1.8 4.2 470 289 A 41 VAL H A 50 CYS HA 1.0 1.8 5.6 471 290 A 50 CYS H A 49 LEU HB2 1.0 1.8 5.6 472 290 A 49 LEU HB3 A 50 CYS H 1.0 1.8 5.6 473 291 A 50 CYS H A 50 CYS HB2 1.0 1.8 4.2 474 291 A 50 CYS HB3 A 50 CYS H 1.0 1.8 4.2 475 292 A 50 CYS HB3 A 50 CYS H 1.0 1.8 4.2 476 293 A 50 CYS H A 50 CYS HB2 1.0 1.8 4.2 477 294 A 12 THR HB A 51 LEU HA 1.0 1.8 7.0 478 295 A 13 TYR H A 51 LEU HB2 1.0 1.8 7.0 479 295 A 13 TYR H A 51 LEU HBy 1.0 1.8 7.0 480 296 A 50 CYS HA A 51 LEU H 1.0 1.8 4.2 481 297 A 50 CYS HB3 A 51 LEU H 1.0 1.8 4.2 482 298 A 51 LEU H A 50 CYS HB2 1.0 1.8 4.2 483 299 A 51 LEU HA A 50 CYS HB2 1.0 1.8 5.6 484 299 A 50 CYS HB3 A 51 LEU HA 1.0 1.8 5.6 485 300 A 51 LEU H A 51 LEU HB2 1.0 1.8 4.2 486 300 A 51 LEU HBy A 51 LEU H 1.0 1.8 4.2 487 301 A 51 LEU H A 51 LEU HG 1.0 1.8 4.2 488 302 A 51 LEU HA A 51 LEU HG 1.0 1.8 5.6 489 303 A 51 LEU HA A 51 LEU HD2% 1.0 1.8 4.2 490 303 A 51 LEU HA A 51 LEU HD1% 1.0 1.8 4.2 491 304 A 51 LEU HA A 51 LEU HD1% 1.0 1.8 4.2 492 305 A 51 LEU HA A 51 LEU HD2% 1.0 1.8 4.2 493 306 A 12 THR HB A 52 ASP H 1.0 1.8 5.6 494 307 A 12 THR HB A 52 ASP HB2 1.0 1.8 5.6 495 307 A 12 THR HB A 52 ASP HB3 1.0 1.8 5.6 496 308 A 12 THR HG2% A 52 ASP HB2 1.0 1.8 5.6 497 308 A 12 THR HG2% A 52 ASP HB3 1.0 1.8 5.6 498 309 A 51 LEU HA A 52 ASP H 1.0 1.8 4.2 499 310 A 51 LEU HG A 52 ASP H 1.0 1.8 7.0 500 311 A 52 ASP H A 52 ASP HB2 1.0 1.8 4.2 501 311 A 52 ASP H A 52 ASP HB3 1.0 1.8 4.2 502 312 A 52 ASP H A 52 ASP HB3 1.0 1.8 4.2 503 313 A 52 ASP H A 52 ASP HB2 1.0 1.8 4.2 504 314 A 51 LEU HD2% A 53 PRO HD2 1.0 1.8 5.6 505 314 A 51 LEU HD1% A 53 PRO HD2 1.0 1.8 5.6 506 314 A 53 PRO HD3 A 51 LEU HD2% 1.0 1.8 5.6 507 314 A 51 LEU HD1% A 53 PRO HD3 1.0 1.8 5.6 508 315 A 52 ASP H A 53 PRO HA 1.0 1.8 7.0 509 316 A 52 ASP H A 53 PRO HD2 1.0 1.8 5.6 510 316 A 52 ASP H A 53 PRO HD3 1.0 1.8 5.6 511 317 A 52 ASP HB2 A 53 PRO HD2 1.0 1.8 5.6 512 317 A 52 ASP HB3 A 53 PRO HD2 1.0 1.8 5.6 513 317 A 53 PRO HD3 A 52 ASP HB2 1.0 1.8 5.6 514 317 A 52 ASP HB3 A 53 PRO HD3 1.0 1.8 5.6 515 318 A 54 LYS H A 52 ASP HB2 1.0 1.8 5.6 516 318 A 52 ASP HB3 A 54 LYS H 1.0 1.8 5.6 517 319 A 54 LYS HA A 52 ASP HB2 1.0 1.8 7.0 518 319 A 52 ASP HB3 A 54 LYS HA 1.0 1.8 7.0 519 320 A 52 ASP HB2 A 54 LYS HB2 1.0 1.8 5.6 520 320 A 52 ASP HB3 A 54 LYS HB2 1.0 1.8 5.6 521 320 A 54 LYS HB3 A 52 ASP HB2 1.0 1.8 5.6 522 320 A 52 ASP HB3 A 54 LYS HB3 1.0 1.8 5.6 523 321 A 53 PRO HA A 54 LYS H 1.0 1.8 4.2 524 322 A 54 LYS H A 54 LYS HB2 1.0 1.8 4.2 525 322 A 54 LYS H A 54 LYS HB3 1.0 1.8 4.2 526 323 A 54 LYS H A 55 GLU H 1.0 1.8 4.2 527 324 A 55 GLU H A 55 GLU HB2 1.0 1.8 4.2 528 324 A 55 GLU HB3 A 55 GLU H 1.0 1.8 4.2 529 325 A 55 GLU HA A 55 GLU HG2 1.0 1.8 4.2 530 325 A 55 GLU HA A 55 GLU HG3 1.0 1.8 4.2 531 326 A 57 TRP HE1 A 55 GLU HB2 1.0 1.8 5.6 532 326 A 57 TRP HE1 A 55 GLU HB3 1.0 1.8 5.6 533 327 A 57 TRP HE3 A 57 TRP HA 1.0 1.8 4.2 534 328 A 57 TRP HE3 A 57 TRP HB2 1.0 1.8 4.2 535 328 A 57 TRP HE3 A 57 TRP HB3 1.0 1.8 4.2 536 329 A 57 TRP HE3 A 57 TRP HB3 1.0 1.8 4.2 537 330 A 57 TRP HE3 A 57 TRP HB2 1.0 1.8 4.2 538 331 A 51 LEU HBy A 58 VAL HG2% 1.0 1.8 4.2 539 331 A 58 VAL HG1% A 51 LEU HB2 1.0 1.8 4.2 540 331 A 51 LEU HBy A 58 VAL HG1% 1.0 1.8 4.2 541 331 A 51 LEU HB2 A 58 VAL HG2% 1.0 1.8 4.2 542 332 A 51 LEU HD1% A 58 VAL HG2% 1.0 1.8 4.2 543 332 A 51 LEU HD2% A 58 VAL HG2% 1.0 1.8 4.2 544 332 A 58 VAL HG1% A 51 LEU HD2% 1.0 1.8 4.2 545 332 A 51 LEU HD1% A 58 VAL HG1% 1.0 1.8 4.2 546 333 A 52 ASP H A 58 VAL HG2% 1.0 1.8 5.6 547 333 A 52 ASP H A 58 VAL HG1% 1.0 1.8 5.6 548 334 A 53 PRO HA A 58 VAL HG2% 1.0 1.8 5.6 549 334 A 53 PRO HA A 58 VAL HG1% 1.0 1.8 5.6 550 335 A 55 GLU HB3 A 58 VAL HG2% 1.0 1.8 4.2 551 335 A 55 GLU HB2 A 58 VAL HG2% 1.0 1.8 4.2 552 335 A 58 VAL HG1% A 55 GLU HB2 1.0 1.8 4.2 553 335 A 55 GLU HB3 A 58 VAL HG1% 1.0 1.8 4.2 554 336 A 58 VAL H A 58 VAL HB 1.0 1.8 4.2 555 337 A 58 VAL HG1% A 58 VAL HA 1.0 1.8 4.2 556 338 A 58 VAL HA A 58 VAL HG2% 1.0 1.8 4.2 557 339 A 58 VAL H A 59 GLN H 1.0 1.8 4.2 558 340 A 58 VAL HB A 59 GLN H 1.0 1.8 4.2 559 341 A 59 GLN H A 58 VAL HG2% 1.0 1.8 5.6 560 341 A 58 VAL HG1% A 59 GLN H 1.0 1.8 5.6 561 342 A 59 GLN H A 59 GLN HB2 1.0 1.8 4.2 562 342 A 59 GLN H A 59 GLN HB3 1.0 1.8 4.2 563 343 A 59 GLN H A 59 GLN HG3 1.0 1.8 5.6 564 343 A 59 GLN H A 59 GLN HG2 1.0 1.8 5.6 565 344 A 59 GLN HA A 59 GLN HG3 1.0 1.8 4.2 566 345 A 59 GLN HG2 A 59 GLN HA 1.0 1.8 4.2 567 346 A 59 GLN H A 59 GLN HE22 1.0 1.8 5.6 568 346 A 59 GLN H A 59 GLN HE21 1.0 1.8 5.6 569 347 A 59 GLN HB3 A 59 GLN HE22 1.0 1.8 5.6 570 347 A 59 GLN HB2 A 59 GLN HE22 1.0 1.8 5.6 571 347 A 59 GLN HE21 A 59 GLN HB2 1.0 1.8 5.6 572 347 A 59 GLN HB3 A 59 GLN HE21 1.0 1.8 5.6 573 348 A 59 GLN HE21 A 59 GLN HG3 1.0 1.8 4.2 574 348 A 59 GLN HE22 A 59 GLN HG3 1.0 1.8 4.2 575 348 A 59 GLN HG2 A 59 GLN HE22 1.0 1.8 4.2 576 348 A 59 GLN HG2 A 59 GLN HE21 1.0 1.8 4.2 577 349 A 57 TRP HA A 60 ARG H 1.0 1.8 7.0 578 350 A 57 TRP HA A 60 ARG HB3 1.0 1.8 5.6 579 350 A 57 TRP HA A 60 ARG HB2 1.0 1.8 5.6 580 351 A 57 TRP HB2 A 60 ARG HB3 1.0 1.8 4.2 581 351 A 57 TRP HB3 A 60 ARG HB3 1.0 1.8 4.2 582 351 A 60 ARG HB2 A 57 TRP HB2 1.0 1.8 4.2 583 351 A 57 TRP HB3 A 60 ARG HB2 1.0 1.8 4.2 584 352 A 57 TRP HB2 A 60 ARG HG3 1.0 1.8 4.2 585 352 A 57 TRP HB3 A 60 ARG HG3 1.0 1.8 4.2 586 352 A 60 ARG HG2 A 57 TRP HB2 1.0 1.8 4.2 587 352 A 57 TRP HB3 A 60 ARG HG2 1.0 1.8 4.2 588 353 A 59 GLN H A 60 ARG H 1.0 1.8 2.8 589 354 A 60 ARG HA A 59 GLN HG3 1.0 1.8 5.6 590 354 A 59 GLN HG2 A 60 ARG HA 1.0 1.8 5.6 591 355 A 59 GLN H A 60 ARG HG3 1.0 1.8 5.6 592 355 A 59 GLN H A 60 ARG HG2 1.0 1.8 5.6 593 356 A 60 ARG H A 60 ARG HB3 1.0 1.8 4.2 594 356 A 60 ARG H A 60 ARG HB2 1.0 1.8 4.2 595 357 A 60 ARG H A 60 ARG HB3 1.0 1.8 4.2 596 358 A 60 ARG H A 60 ARG HB2 1.0 1.8 4.2 597 359 A 60 ARG H A 60 ARG HG3 1.0 1.8 4.2 598 360 A 60 ARG H A 60 ARG HG2 1.0 1.8 4.2 599 361 A 60 ARG HA A 60 ARG HD2 1.0 1.8 5.6 600 361 A 60 ARG HA A 60 ARG HDy 1.0 1.8 5.6 601 362 A 60 ARG HB2 A 60 ARG HD2 1.0 1.8 4.2 602 362 A 60 ARG HB3 A 60 ARG HD2 1.0 1.8 4.2 603 362 A 60 ARG HDy A 60 ARG HB3 1.0 1.8 4.2 604 362 A 60 ARG HB2 A 60 ARG HDy 1.0 1.8 4.2 605 363 A 60 ARG H A 60 ARG HD2 1.0 1.8 5.6 606 363 A 60 ARG H A 60 ARG HDy 1.0 1.8 5.6 607 364 A 57 TRP HH2 A 61 VAL HG21 1.0 1.8 5.6 608 365 A 57 TRP HZ3 A 61 VAL HG21 1.0 1.8 4.2 609 366 A 58 VAL HA A 61 VAL H 1.0 1.8 5.6 610 367 A 61 VAL H A 58 VAL HG2% 1.0 1.8 5.6 611 367 A 58 VAL HG1% A 61 VAL H 1.0 1.8 5.6 612 368 A 58 VAL HG1% A 61 VAL H 1.0 1.8 5.6 613 369 A 61 VAL H A 58 VAL HG2% 1.0 1.8 5.6 614 370 A 58 VAL HA A 61 VAL HB 1.0 1.8 5.6 615 371 A 58 VAL HA A 61 VAL HG21 1.0 1.8 4.2 616 371 A 58 VAL HA A 61 VAL HG1% 1.0 1.8 4.2 617 372 A 58 VAL HB A 61 VAL HG21 1.0 1.8 5.6 618 372 A 58 VAL HB A 61 VAL HG1% 1.0 1.8 5.6 619 373 A 59 GLN H A 61 VAL HG21 1.0 1.8 5.6 620 373 A 59 GLN H A 61 VAL HG1% 1.0 1.8 5.6 621 374 A 61 VAL HA A 61 VAL HG21 1.0 1.8 4.2 622 374 A 61 VAL HG1% A 61 VAL HA 1.0 1.8 4.2 623 375 A 59 GLN HA A 62 VAL H 1.0 1.8 5.6 624 376 A 61 VAL H A 62 VAL H 1.0 1.8 4.2 625 377 A 61 VAL HB A 62 VAL H 1.0 1.8 4.2 626 378 A 61 VAL H A 62 VAL HG2% 1.0 1.8 5.6 627 378 A 61 VAL H A 62 VAL HG1% 1.0 1.8 5.6 628 379 A 62 VAL H A 62 VAL HB 1.0 1.8 4.2 629 380 A 62 VAL H A 62 VAL HG2% 1.0 1.8 4.2 630 380 A 62 VAL H A 62 VAL HG1% 1.0 1.8 4.2 631 381 A 62 VAL H A 62 VAL HG1% 1.0 1.8 4.2 632 382 A 62 VAL H A 62 VAL HG2% 1.0 1.8 4.2 633 383 A 62 VAL HA A 62 VAL HG2% 1.0 1.8 2.8 634 383 A 62 VAL HA A 62 VAL HG1% 1.0 1.8 2.8 635 384 A 62 VAL H A 63 GLU H 1.0 1.8 5.6 636 385 A 62 VAL HB A 63 GLU H 1.0 1.8 4.2 637 386 A 63 GLU H A 62 VAL HG2% 1.0 1.8 4.2 638 386 A 62 VAL HG1% A 63 GLU H 1.0 1.8 4.2 639 387 A 63 GLU HA A 62 VAL HG2% 1.0 1.8 5.6 640 387 A 62 VAL HG1% A 63 GLU HA 1.0 1.8 5.6 641 388 A 62 VAL HG1% A 63 GLU HA 1.0 1.8 5.6 642 389 A 63 GLU HA A 62 VAL HG2% 1.0 1.8 5.6 643 390 A 62 VAL HG1% A 63 GLU HG3 1.0 1.8 5.6 644 390 A 62 VAL HG2% A 63 GLU HG3 1.0 1.8 5.6 645 390 A 63 GLU HG2 A 62 VAL HG2% 1.0 1.8 5.6 646 390 A 62 VAL HG1% A 63 GLU HG2 1.0 1.8 5.6 647 391 A 63 GLU HA A 63 GLU HG3 1.0 1.8 4.2 648 391 A 63 GLU HA A 63 GLU HG2 1.0 1.8 4.2 649 392 A 64 LYS H A 59 GLN HG3 1.0 1.8 5.6 650 392 A 59 GLN HG2 A 64 LYS H 1.0 1.8 5.6 651 393 A 60 ARG HA A 64 LYS HB2 1.0 1.8 4.2 652 393 A 60 ARG HA A 64 LYS HB3 1.0 1.8 4.2 653 394 A 62 VAL H A 64 LYS H 1.0 1.8 5.6 654 395 A 62 VAL HA A 64 LYS H 1.0 1.8 7.0 655 396 A 64 LYS H A 62 VAL HG2% 1.0 1.8 5.6 656 396 A 62 VAL HG1% A 64 LYS H 1.0 1.8 5.6 657 397 A 63 GLU H A 64 LYS H 1.0 1.8 4.2 658 398 A 64 LYS H A 63 GLU HB3 1.0 1.8 4.2 659 399 A 64 LYS H A 63 GLU HB2 1.0 1.8 4.2 660 400 A 64 LYS H A 63 GLU HG3 1.0 1.8 5.6 661 401 A 63 GLU HG2 A 64 LYS H 1.0 1.8 5.6 662 402 A 64 LYS H A 64 LYS HB2 1.0 1.8 4.2 663 402 A 64 LYS H A 64 LYS HB3 1.0 1.8 4.2 664 403 A 65 PHE HE% A 22 ILE H 1.0 1.8 5.6 665 404 A 65 PHE HE% A 22 ILE HG13 1.0 1.8 4.2 666 404 A 65 PHE HE% A 22 ILE HG12 1.0 1.8 4.2 667 405 A 65 PHE HE% A 22 ILE HD1% 1.0 1.8 4.2 668 406 A 65 PHE HE% A 43 LEU HD2% 1.0 1.8 5.6 669 406 A 65 PHE HE% A 43 LEU HD1% 1.0 1.8 5.6 670 407 A 62 VAL HA A 65 PHE H 1.0 1.8 5.6 671 408 A 65 PHE H A 62 VAL HG2% 1.0 1.8 5.6 672 408 A 62 VAL HG1% A 65 PHE H 1.0 1.8 5.6 673 409 A 62 VAL HA A 65 PHE HB3 1.0 1.8 7.0 674 409 A 65 PHE HB2 A 62 VAL HA 1.0 1.8 7.0 675 410 A 62 VAL HG2% A 65 PHE HB3 1.0 1.8 5.6 676 410 A 62 VAL HG1% A 65 PHE HB3 1.0 1.8 5.6 677 410 A 65 PHE HB2 A 62 VAL HG2% 1.0 1.8 5.6 678 410 A 65 PHE HB2 A 62 VAL HG1% 1.0 1.8 5.6 679 411 A 62 VAL HA A 65 PHE HD% 1.0 1.8 5.6 680 412 A 65 PHE H A 63 GLU HB2 1.0 1.8 5.6 681 412 A 65 PHE H A 63 GLU HB3 1.0 1.8 5.6 682 413 A 64 LYS H A 65 PHE H 1.0 1.8 4.2 683 414 A 65 PHE H A 64 LYS HB2 1.0 1.8 5.6 684 414 A 64 LYS HB3 A 65 PHE H 1.0 1.8 5.6 685 415 A 64 LYS H A 65 PHE HB3 1.0 1.8 5.6 686 415 A 65 PHE HB2 A 64 LYS H 1.0 1.8 5.6 687 416 A 65 PHE H A 65 PHE HB3 1.0 1.8 4.2 688 417 A 65 PHE HB2 A 65 PHE H 1.0 1.8 4.2 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 24 GLU H A 42 LYS O 1.0 1.8 2.5 2 2 A 42 LYS O A 24 GLU N 1.0 1.8 3.5 3 3 A 26 ARG H A 40 ILE O 1.0 1.8 2.5 4 4 A 40 ILE O A 26 ARG N 1.0 1.8 3.5 5 5 A 28 ILE H A 38 GLU O 1.0 1.8 2.5 6 6 A 38 GLU O A 28 ILE N 1.0 1.8 3.5 7 7 A 38 GLU H A 28 ILE O 1.0 1.8 2.5 8 8 A 28 ILE O A 38 GLU N 1.0 1.8 3.5 9 9 A 39 ILE H A 51 LEU O 1.0 1.8 2.5 10 10 A 51 LEU O A 39 ILE N 1.0 1.8 3.5 11 11 A 40 ILE H A 26 ARG O 1.0 1.8 2.5 12 12 A 26 ARG O A 40 ILE N 1.0 1.8 3.5 13 13 A 41 VAL H A 49 LEU O 1.0 1.8 2.5 14 14 A 49 LEU O A 41 VAL N 1.0 1.8 3.5 15 15 A 42 LYS H A 24 GLU O 1.0 1.8 2.5 16 16 A 24 GLU O A 42 LYS N 1.0 1.8 3.5 17 17 A 43 LEU H A 47 ARG O 1.0 1.8 2.5 18 18 A 47 ARG O A 43 LEU N 1.0 1.8 3.5 19 19 A 46 GLY H A 43 LEU O 1.0 1.8 2.5 20 20 A 43 LEU O A 46 GLY N 1.0 1.8 3.5 21 21 A 47 ARG H A 43 LEU O 1.0 1.8 2.5 22 22 A 43 LEU O A 47 ARG N 1.0 1.8 3.5 23 23 A 49 LEU H A 41 VAL O 1.0 1.8 2.5 24 24 A 41 VAL O A 49 LEU N 1.0 1.8 3.5 25 25 A 51 LEU H A 39 ILE O 1.0 1.8 2.5 26 26 A 39 ILE O A 51 LEU N 1.0 1.8 3.5 27 27 A 55 GLU H A 52 ASP O 1.0 1.8 2.5 28 28 A 52 ASP O A 55 GLU N 1.0 1.8 3.5 29 29 A 59 GLN H A 55 GLU O 1.0 1.8 2.5 30 30 A 55 GLU O A 59 GLN N 1.0 1.8 3.5 31 31 A 60 ARG H A 56 ASN O 1.0 1.8 2.5 32 32 A 56 ASN O A 60 ARG N 1.0 1.8 3.5 33 33 A 61 VAL H A 57 TRP O 1.0 1.8 2.5 34 34 A 57 TRP O A 61 VAL N 1.0 1.8 3.5 35 35 A 62 VAL H A 58 VAL O 1.0 1.8 2.5 36 36 A 58 VAL O A 62 VAL N 1.0 1.8 3.5 37 37 A 63 GLU H A 59 GLN O 1.0 1.8 2.5 38 38 A 59 GLN O A 63 GLU N 1.0 1.8 3.5 39 39 A 64 LYS H A 60 ARG O 1.0 1.8 2.5 40 40 A 60 ARG O A 64 LYS N 1.0 1.8 3.5 41 41 A 65 PHE H A 61 VAL O 1.0 1.8 2.5 42 42 A 61 VAL O A 65 PHE N 1.0 1.8 3.5 43 43 A 62 VAL O A 66 LEU H 1.0 1.8 2.5 44 44 A 62 VAL O A 66 LEU N 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 ALA C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -104.0 -60.0 PHI 2 2 A 3 LYS N A 3 LYS CA A 3 LYS C A 4 GLU N 1.0 -23.0 17.0 PSI 3 3 A 4 GLU C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -111.0 -39.0 PHI 4 4 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 ARG N 1.0 78.0 174.0 PSI 5 5 A 5 LEU C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -174.0 -50.0 PHI 6 6 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 CYS N 1.0 127.0 183.0 PSI 7 7 A 6 ARG C A 7 CYS N A 7 CYS CA A 7 CYS C 1.0 -98.0 -50.0 PHI 8 8 A 7 CYS N A 7 CYS CA A 7 CYS C A 8 GLN N 1.0 68.0 204.0 PSI 9 9 A 8 GLN C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -119.0 -55.0 PHI 10 10 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 ILE N 1.0 86.0 142.0 PSI 11 11 A 10 ILE C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -183.0 -55.0 PHI 12 12 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 THR N 1.0 138.0 178.0 PSI 13 13 A 11 LYS C A 12 THR N A 12 THR CA A 12 THR C 1.0 -153.0 -81.0 PHI 14 14 A 12 THR N A 12 THR CA A 12 THR C A 13 TYR N 1.0 130.0 170.0 PSI 15 15 A 12 THR C A 13 TYR N A 13 TYR CA A 13 TYR C 1.0 -108.0 -48.0 PHI 16 16 A 13 TYR N A 13 TYR CA A 13 TYR C A 14 SER N 1.0 119.0 163.0 PSI 17 17 A 16 PRO C A 17 PHE N A 17 PHE CA A 17 PHE C 1.0 -174.0 -70.0 PHI 18 18 A 17 PHE N A 17 PHE CA A 17 PHE C A 18 HIS N 1.0 79.0 203.0 PSI 19 19 A 17 PHE C A 18 HIS N A 18 HIS CA A 18 HIS C 1.0 -143.0 -55.0 PHI 20 20 A 18 HIS N A 18 HIS CA A 18 HIS C A 19 PRO N 1.0 91.0 171.0 PSI 21 21 A 18 HIS C A 19 PRO N A 19 PRO CA A 19 PRO C 1.0 -81.0 -41.0 PHI 22 22 A 19 PRO N A 19 PRO CA A 19 PRO C A 20 LYS N 1.0 125.0 165.0 PSI 23 23 A 19 PRO C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -79.0 -39.0 PHI 24 24 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 PHE N 1.0 -61.0 3.0 PSI 25 25 A 20 LYS C A 21 PHE N A 21 PHE CA A 21 PHE C 1.0 -140.0 -48.0 PHI 26 26 A 21 PHE N A 21 PHE CA A 21 PHE C A 22 ILE N 1.0 -41.0 23.0 PSI 27 27 A 21 PHE C A 22 ILE N A 22 ILE CA A 22 ILE C 1.0 -131.0 -27.0 PHI 28 28 A 22 ILE N A 22 ILE CA A 22 ILE C A 23 LYS N 1.0 93.0 177.0 PSI 29 29 A 22 ILE C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -116.0 -72.0 PHI 30 30 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 GLU N 1.0 -58.0 -18.0 PSI 31 31 A 23 LYS C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -171.0 -131.0 PHI 32 32 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 LEU N 1.0 125.0 165.0 PSI 33 33 A 24 GLU C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -163.0 -103.0 PHI 34 34 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 ARG N 1.0 100.0 152.0 PSI 35 35 A 25 LEU C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -158.0 -70.0 PHI 36 36 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 VAL N 1.0 105.0 153.0 PSI 37 37 A 26 ARG C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -137.0 -73.0 PHI 38 38 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 ILE N 1.0 106.0 154.0 PSI 39 39 A 27 VAL C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -128.0 -64.0 PHI 40 40 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 GLU N 1.0 100.0 148.0 PSI 41 41 A 28 ILE C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -107.0 -55.0 PHI 42 42 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 SER N 1.0 76.0 172.0 PSI 43 43 A 29 GLU C A 30 SER N A 30 SER CA A 30 SER C 1.0 -137.0 -73.0 PHI 44 44 A 30 SER N A 30 SER CA A 30 SER C A 31 GLY N 1.0 -53.0 7.0 PSI 45 45 A 31 GLY C A 32 PRO N A 32 PRO CA A 32 PRO C 1.0 -82.0 -42.0 PHI 46 46 A 32 PRO N A 32 PRO CA A 32 PRO C A 33 HIS N 1.0 -46.0 2.0 PSI 47 47 A 32 PRO C A 33 HIS N A 33 HIS CA A 33 HIS C 1.0 -125.0 -57.0 PHI 48 48 A 33 HIS N A 33 HIS CA A 33 HIS C A 34 CYS N 1.0 -40.0 36.0 PSI 49 49 A 33 HIS C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -127.0 -47.0 PHI 50 50 A 34 CYS N A 34 CYS CA A 34 CYS C A 35 ALA N 1.0 99.0 171.0 PSI 51 51 A 34 CYS C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -116.0 -60.0 PHI 52 52 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 ASN N 1.0 -84.0 40.0 PSI 53 53 A 35 ALA C A 36 ASN N A 36 ASN CA A 36 ASN C 1.0 -185.0 -89.0 PHI 54 54 A 36 ASN N A 36 ASN CA A 36 ASN C A 37 THR N 1.0 114.0 158.0 PSI 55 55 A 36 ASN C A 37 THR N A 37 THR CA A 37 THR C 1.0 -145.0 -45.0 PHI 56 56 A 37 THR N A 37 THR CA A 37 THR C A 38 GLU N 1.0 106.0 166.0 PSI 57 57 A 37 THR C A 38 GLU N A 38 GLU CA A 38 GLU C 1.0 -157.0 -81.0 PHI 58 58 A 38 GLU N A 38 GLU CA A 38 GLU C A 39 ILE N 1.0 117.0 165.0 PSI 59 59 A 38 GLU C A 39 ILE N A 39 ILE CA A 39 ILE C 1.0 -128.0 -88.0 PHI 60 60 A 39 ILE N A 39 ILE CA A 39 ILE C A 40 ILE N 1.0 103.0 143.0 PSI 61 61 A 39 ILE C A 40 ILE N A 40 ILE CA A 40 ILE C 1.0 -137.0 -89.0 PHI 62 62 A 40 ILE N A 40 ILE CA A 40 ILE C A 41 VAL N 1.0 103.0 159.0 PSI 63 63 A 40 ILE C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -153.0 -113.0 PHI 64 64 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 LYS N 1.0 141.0 181.0 PSI 65 65 A 41 VAL C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -172.0 -84.0 PHI 66 66 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 LEU N 1.0 111.0 179.0 PSI 67 67 A 42 LYS C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -109.0 -65.0 PHI 68 68 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 SER N 1.0 154.0 194.0 PSI 69 69 A 43 LEU C A 44 SER N A 44 SER CA A 44 SER C 1.0 -81.0 -41.0 PHI 70 70 A 44 SER N A 44 SER CA A 44 SER C A 45 ASP N 1.0 -59.0 13.0 PSI 71 71 A 44 SER C A 45 ASP N A 45 ASP CA A 45 ASP C 1.0 -111.0 -67.0 PHI 72 72 A 45 ASP N A 45 ASP CA A 45 ASP C A 46 GLY N 1.0 -23.0 29.0 PSI 73 73 A 46 GLY C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -101.0 -57.0 PHI 74 74 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 GLU N 1.0 68.0 192.0 PSI 75 75 A 47 ARG C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -168.0 -68.0 PHI 76 76 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 LEU N 1.0 115.0 175.0 PSI 77 77 A 48 GLU C A 49 LEU N A 49 LEU CA A 49 LEU C 1.0 -156.0 -104.0 PHI 78 78 A 49 LEU N A 49 LEU CA A 49 LEU C A 50 CYS N 1.0 115.0 171.0 PSI 79 79 A 49 LEU C A 50 CYS N A 50 CYS CA A 50 CYS C 1.0 -176.0 -92.0 PHI 80 80 A 50 CYS N A 50 CYS CA A 50 CYS C A 51 LEU N 1.0 111.0 175.0 PSI 81 81 A 50 CYS C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -155.0 -91.0 PHI 82 82 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 ASP N 1.0 112.0 176.0 PSI 83 83 A 51 LEU C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -131.0 -31.0 PHI 84 84 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 PRO N 1.0 95.0 175.0 PSI 85 85 A 52 ASP C A 53 PRO N A 53 PRO CA A 53 PRO C 1.0 -82.0 -42.0 PHI 86 86 A 53 PRO N A 53 PRO CA A 53 PRO C A 54 LYS N 1.0 -48.0 -8.0 PSI 87 87 A 53 PRO C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -90.0 -50.0 PHI 88 88 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 GLU N 1.0 -41.0 -1.0 PSI 89 89 A 54 LYS C A 55 GLU N A 55 GLU CA A 55 GLU C 1.0 -128.0 -64.0 PHI 90 90 A 55 GLU C A 56 ASN N A 56 ASN CA A 56 ASN C 1.0 -76.0 -36.0 PHI 91 91 A 56 ASN N A 56 ASN CA A 56 ASN C A 57 TRP N 1.0 -70.0 -14.0 PSI 92 92 A 56 ASN C A 57 TRP N A 57 TRP CA A 57 TRP C 1.0 -83.0 -43.0 PHI 93 93 A 57 TRP N A 57 TRP CA A 57 TRP C A 58 VAL N 1.0 -54.0 -14.0 PSI 94 94 A 57 TRP C A 58 VAL N A 58 VAL CA A 58 VAL C 1.0 -88.0 -48.0 PHI 95 95 A 58 VAL N A 58 VAL CA A 58 VAL C A 59 GLN N 1.0 -62.0 -22.0 PSI 96 96 A 58 VAL C A 59 GLN N A 59 GLN CA A 59 GLN C 1.0 -81.0 -41.0 PHI 97 97 A 59 GLN N A 59 GLN CA A 59 GLN C A 60 ARG N 1.0 -64.0 -24.0 PSI 98 98 A 59 GLN C A 60 ARG N A 60 ARG CA A 60 ARG C 1.0 -87.0 -47.0 PHI 99 99 A 60 ARG N A 60 ARG CA A 60 ARG C A 61 VAL N 1.0 -63.0 -23.0 PSI 100 100 A 60 ARG C A 61 VAL N A 61 VAL CA A 61 VAL C 1.0 -83.0 -43.0 PHI 101 101 A 61 VAL N A 61 VAL CA A 61 VAL C A 62 VAL N 1.0 -67.0 -27.0 PSI 102 102 A 61 VAL C A 62 VAL N A 62 VAL CA A 62 VAL C 1.0 -87.0 -43.0 PHI 103 103 A 62 VAL N A 62 VAL CA A 62 VAL C A 63 GLU N 1.0 -62.0 -22.0 PSI 104 104 A 62 VAL C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -84.0 -44.0 PHI 105 105 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 LYS N 1.0 -58.0 -14.0 PSI 106 106 A 63 GLU C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 -110.0 -54.0 PHI 107 107 A 64 LYS N A 64 LYS CA A 64 LYS C A 65 PHE N 1.0 -50.0 6.0 PSI stop_ save_