data_nef_c30481_6dst 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 6DST stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 ILE middle . . 3 A 3 GLY middle . false 4 A 4 ALA middle . . 5 A 5 VAL middle . . 6 A 6 LEU middle . . 7 A 7 LYS middle . . 8 A 8 VAL middle . . 9 A 9 LEU middle . . 10 A 10 THR middle . . 11 A 11 THR middle . . 12 A 12 GLY middle . false 13 A 13 LEU middle . . 14 A 14 PRO middle . false 15 A 15 ALA middle . . 16 A 16 LEU middle . . 17 A 17 ILE middle . . 18 A 18 SER middle . . 19 A 19 TRP middle . . 20 A 20 ILE middle . . 21 A 21 LYS middle . . 22 A 22 ARG middle . . 23 A 23 LYS middle . . 24 A 24 ARG middle . . 25 A 25 GLN middle . . 26 A 26 GLN 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 GLY HAy H 1 3.563 0.02 A 1 GLY HAx H 1 3.441 0.02 A 1 GLY CA C 13 43.701 0.3 A 2 ILE HA H 1 3.778 0.02 A 2 ILE HB H 1 1.576 0.02 A 2 ILE HG1y H 1 1.183 0.02 A 2 ILE HG1x H 1 1.095 0.02 A 2 ILE HG2% H 1 0.654 0.02 A 2 ILE HD1% H 1 0.602 0.02 A 2 ILE CA C 13 62.491 0.3 A 2 ILE CB C 13 38.354 0.3 A 2 ILE CG1 C 13 27.964 0.3 A 2 ILE CG2 C 13 16.93 0.3 A 2 ILE CD1 C 13 12.776 0.3 A 3 GLY H H 1 8.564 0.02 A 3 GLY HA2 H 1 3.436 0.02 A 3 GLY HA3 H 1 3.558 0.02 A 3 GLY CA C 13 46.954 0.3 A 3 GLY N N 15 109.085 0.3 A 4 ALA H H 1 7.628 0.02 A 4 ALA HA H 1 3.828 0.02 A 4 ALA HB% H 1 1.204 0.02 A 4 ALA CA C 13 54.764 0.3 A 4 ALA CB C 13 17.948 0.3 A 4 ALA N N 15 122.773 0.3 A 5 VAL H H 1 7.177 0.02 A 5 VAL HA H 1 3.289 0.02 A 5 VAL HB H 1 1.954 0.02 A 5 VAL HG1% H 1 0.624 0.02 A 5 VAL HG2% H 1 0.637 0.02 A 5 VAL CA C 13 66.128 0.3 A 5 VAL CB C 13 31.704 0.3 A 5 VAL CG1 C 13 20.174 0.3 A 5 VAL CG2 C 13 20.417 0.3 A 5 VAL N N 15 117.444 0.3 A 6 LEU H H 1 8.083 0.02 A 6 LEU HA H 1 3.765 0.02 A 6 LEU HB2 H 1 1.206 0.02 A 6 LEU HB3 H 1 1.56 0.02 A 6 LEU HG H 1 1.514 0.02 A 6 LEU HD1% H 1 0.564 0.02 A 6 LEU HD2% H 1 0.556 0.02 A 6 LEU CA C 13 57.885 0.3 A 6 LEU CB C 13 41.627 0.3 A 6 LEU CG C 13 26.525 0.3 A 6 LEU CD1 C 13 24.606 0.3 A 6 LEU CD2 C 13 24.54 0.3 A 6 LEU N N 15 117.746 0.3 A 7 LYS H H 1 7.739 0.02 A 7 LYS HA H 1 3.671 0.02 A 7 LYS HBx H 1 1.669 0.02 A 7 LYS HBy H 1 1.669 0.02 A 7 LYS HGx H 1 1.093 0.02 A 7 LYS HGy H 1 1.093 0.02 A 7 LYS HDx H 1 1.362 0.02 A 7 LYS HDy H 1 1.362 0.02 A 7 LYS HEx H 1 2.612 0.02 A 7 LYS HEy H 1 2.612 0.02 A 7 LYS CA C 13 59.631 0.3 A 7 LYS CB C 13 31.958 0.3 A 7 LYS CG C 13 25.221 0.3 A 7 LYS CD C 13 29.084 0.3 A 7 LYS CE C 13 41.844 0.3 A 7 LYS N N 15 119.79 0.3 A 8 VAL H H 1 7.578 0.02 A 8 VAL HA H 1 3.281 0.02 A 8 VAL HB H 1 2.017 0.02 A 8 VAL HG1% H 1 0.774 0.02 A 8 VAL HG2% H 1 0.724 0.02 A 8 VAL CA C 13 66.308 0.3 A 8 VAL CB C 13 31.612 0.3 A 8 VAL CG1 C 13 21.884 0.3 A 8 VAL CG2 C 13 21.541 0.3 A 8 VAL N N 15 120.557 0.3 A 9 LEU H H 1 8.292 0.02 A 9 LEU HA H 1 3.782 0.02 A 9 LEU HBy H 1 1.585 0.02 A 9 LEU HBx H 1 1.235 0.02 A 9 LEU HG H 1 1.594 0.02 A 9 LEU HD1% H 1 0.536 0.02 A 9 LEU HD2% H 1 0.536 0.02 A 9 LEU CA C 13 57.983 0.3 A 9 LEU CB C 13 41.878 0.3 A 9 LEU CG C 13 26.191 0.3 A 9 LEU CD1 C 13 21.925 0.3 A 9 LEU CD2 C 13 21.717 0.3 A 9 LEU N N 15 118.727 0.3 A 10 THR H H 1 7.871 0.02 A 10 THR HA H 1 3.875 0.02 A 10 THR HB H 1 4.03 0.02 A 10 THR HG2% H 1 1.02 0.02 A 10 THR CA C 13 64.204 0.3 A 10 THR CB C 13 69.612 0.3 A 10 THR CG2 C 13 21.098 0.3 A 10 THR N N 15 106.6 0.3 A 11 THR H H 1 7.425 0.02 A 11 THR HA H 1 4.07 0.02 A 11 THR HB H 1 4.006 0.02 A 11 THR HG2% H 1 1.022 0.02 A 11 THR CA C 13 64.075 0.3 A 11 THR CB C 13 69.979 0.3 A 11 THR CG2 C 13 20.702 0.3 A 11 THR N N 15 113.319 0.3 A 12 GLY H H 1 7.997 0.02 A 12 GLY HAy H 1 3.818 0.02 A 12 GLY HAx H 1 3.663 0.02 A 12 GLY CA C 13 45.759 0.3 A 12 GLY N N 15 109.013 0.3 A 13 LEU H H 1 8.109 0.02 A 13 LEU HA H 1 4.098 0.02 A 13 LEU HB2 H 1 1.515 0.02 A 13 LEU HB3 H 1 1.442 0.02 A 13 LEU HG H 1 1.413 0.02 A 13 LEU HDx% H 1 0.675 0.02 A 13 LEU HDy% H 1 0.621 0.02 A 13 LEU CA C 13 58.803 0.3 A 13 LEU CB C 13 39.611 0.3 A 13 LEU CG C 13 26.845 0.3 A 13 LEU CD1 C 13 23.793 0.3 A 13 LEU CD2 C 13 23.735 0.3 A 13 LEU N N 15 121.397 0.3 A 14 PRO HA H 1 3.902 0.02 A 14 PRO HB2 H 1 1.529 0.02 A 14 PRO HB3 H 1 2.025 0.02 A 14 PRO HG2 H 1 1.605 0.02 A 14 PRO HG3 H 1 1.874 0.02 A 14 PRO HD2 H 1 3.449 0.02 A 14 PRO HD3 H 1 3.301 0.02 A 14 PRO CA C 13 66.485 0.3 A 14 PRO CB C 13 30.788 0.3 A 14 PRO CG C 13 28.192 0.3 A 14 PRO CD C 13 49.822 0.3 A 15 ALA H H 1 7.131 0.02 A 15 ALA HA H 1 3.871 0.02 A 15 ALA HB% H 1 1.21 0.02 A 15 ALA CA C 13 54.572 0.3 A 15 ALA CB C 13 17.737 0.3 A 15 ALA N N 15 118.587 0.3 A 16 LEU H H 1 7.654 0.02 A 16 LEU HA H 1 3.959 0.02 A 16 LEU HB2 H 1 1.758 0.02 A 16 LEU HB3 H 1 1.311 0.02 A 16 LEU HG H 1 1.401 0.02 A 16 LEU HDx% H 1 0.657 0.02 A 16 LEU HDy% H 1 0.649 0.02 A 16 LEU CA C 13 58.213 0.3 A 16 LEU CB C 13 41.798 0.3 A 16 LEU CG C 13 26.94 0.3 A 16 LEU CD1 C 13 23.019 0.3 A 16 LEU CD2 C 13 22.84 0.3 A 16 LEU N N 15 120.972 0.3 A 17 ILE H H 1 8.353 0.02 A 17 ILE HA H 1 3.385 0.02 A 17 ILE HB H 1 1.598 0.02 A 17 ILE HG1x H 1 0.912 0.02 A 17 ILE HG1y H 1 0.912 0.02 A 17 ILE HG2% H 1 0.6 0.02 A 17 ILE HD1% H 1 0.513 0.02 A 17 ILE CA C 13 65.162 0.3 A 17 ILE CB C 13 37.254 0.3 A 17 ILE CG1 C 13 28.823 0.3 A 17 ILE CG2 C 13 16.379 0.3 A 17 ILE CD1 C 13 11.572 0.3 A 17 ILE N N 15 117.822 0.3 A 18 SER H H 1 7.709 0.02 A 18 SER HA H 1 3.833 0.02 A 18 SER HBx H 1 3.789 0.02 A 18 SER HBy H 1 3.789 0.02 A 18 SER CA C 13 62.177 0.3 A 18 SER CB C 13 62.669 0.3 A 18 SER N N 15 112.919 0.3 A 19 TRP H H 1 7.791 0.02 A 19 TRP HA H 1 4.014 0.02 A 19 TRP HBy H 1 3.402 0.02 A 19 TRP HBx H 1 3.098 0.02 A 19 TRP HE1 H 1 9.741 0.02 A 19 TRP CA C 13 61.425 0.3 A 19 TRP CB C 13 28.935 0.3 A 19 TRP N N 15 122.831 0.3 A 19 TRP NE1 N 15 127.346 0.3 A 20 ILE H H 1 8.512 0.02 A 20 ILE HA H 1 3.112 0.02 A 20 ILE HB H 1 1.734 0.02 A 20 ILE HG1y H 1 1.084 0.02 A 20 ILE HG1x H 1 0.995 0.02 A 20 ILE HG2% H 1 0.604 0.02 A 20 ILE HD1% H 1 0.602 0.02 A 20 ILE CA C 13 65.658 0.3 A 20 ILE CB C 13 38.061 0.3 A 20 ILE CG1 C 13 28.225 0.3 A 20 ILE CG2 C 13 16.312 0.3 A 20 ILE CD1 C 13 12.466 0.3 A 20 ILE N N 15 119.903 0.3 A 21 LYS H H 1 8.129 0.02 A 21 LYS HA H 1 3.642 0.02 A 21 LYS HBx H 1 1.594 0.02 A 21 LYS HBy H 1 1.594 0.02 A 21 LYS HG2 H 1 1.374 0.02 A 21 LYS HG3 H 1 1.374 0.02 A 21 LYS HDx H 1 1.361 0.02 A 21 LYS HDy H 1 1.361 0.02 A 21 LYS HEx H 1 2.612 0.02 A 21 LYS HEy H 1 2.612 0.02 A 21 LYS CA C 13 59.049 0.3 A 21 LYS CB C 13 32.322 0.3 A 21 LYS CG C 13 25.686 0.3 A 21 LYS CD C 13 29.102 0.3 A 21 LYS CE C 13 41.536 0.3 A 21 LYS N N 15 117.253 0.3 A 22 ARG H H 1 7.387 0.02 A 22 ARG HA H 1 3.829 0.02 A 22 ARG HBx H 1 1.583 0.02 A 22 ARG HBy H 1 1.583 0.02 A 22 ARG HGx H 1 1.294 0.02 A 22 ARG HGy H 1 1.4 0.02 A 22 ARG HDx H 1 2.795 0.02 A 22 ARG HDy H 1 2.795 0.02 A 22 ARG CA C 13 57.861 0.3 A 22 ARG CB C 13 29.999 0.3 A 22 ARG CG C 13 27.15 0.3 A 22 ARG CD C 13 43.008 0.3 A 22 ARG N N 15 117.539 0.3 A 23 LYS H H 1 7.802 0.02 A 23 LYS HA H 1 3.707 0.02 A 23 LYS HB2 H 1 1.223 0.02 A 23 LYS HB3 H 1 1.318 0.02 A 23 LYS HG2 H 1 1.221 0.02 A 23 LYS HG3 H 1 1.111 0.02 A 23 LYS HDx H 1 1.088 0.02 A 23 LYS HDy H 1 1.088 0.02 A 23 LYS HEy H 1 2.501 0.02 A 23 LYS HEx H 1 2.406 0.02 A 23 LYS CA C 13 56.978 0.3 A 23 LYS CB C 13 31.461 0.3 A 23 LYS CG C 13 24.798 0.3 A 23 LYS CD C 13 29.11 0.3 A 23 LYS CE C 13 41.658 0.3 A 23 LYS N N 15 119.511 0.3 A 24 ARG H H 1 7.778 0.02 A 24 ARG HA H 1 3.922 0.02 A 24 ARG HBy H 1 1.63 0.02 A 24 ARG HBx H 1 1.494 0.02 A 24 ARG HGx H 1 1.292 0.02 A 24 ARG HGy H 1 1.39 0.02 A 24 ARG HDx H 1 2.812 0.02 A 24 ARG HDy H 1 2.812 0.02 A 24 ARG CA C 13 56.423 0.3 A 24 ARG CB C 13 30.135 0.3 A 24 ARG CG C 13 26.76 0.3 A 24 ARG CD C 13 42.906 0.3 A 24 ARG N N 15 118.211 0.3 A 25 GLN H H 1 7.607 0.02 A 25 GLN HA H 1 3.865 0.02 A 25 GLN HBy H 1 1.833 0.02 A 25 GLN HBx H 1 1.639 0.02 A 25 GLN HGx H 1 2.019 0.02 A 25 GLN HGy H 1 2.019 0.02 A 25 GLN HE21 H 1 7.307 0.02 A 25 GLN HE22 H 1 6.547 0.02 A 25 GLN CA C 13 57.345 0.3 A 25 GLN CB C 13 30.607 0.3 A 25 GLN CG C 13 34.162 0.3 A 25 GLN N N 15 124.767 0.3 A 25 GLN NE2 N 15 111.268 0.3 A 26 GLN H H 1 7.613 0.02 A 26 GLN HA H 1 3.983 0.02 A 26 GLN HBy H 1 1.873 0.02 A 26 GLN HBx H 1 1.778 0.02 A 26 GLN HGx H 1 2.091 0.02 A 26 GLN HGy H 1 2.091 0.02 A 26 GLN HE21 H 1 7.356 0.02 A 26 GLN HE22 H 1 6.544 0.02 A 26 GLN CA C 13 55.98 0.3 A 26 GLN CB C 13 28.99 0.3 A 26 GLN CG C 13 33.764 0.3 A 26 GLN N N 15 125.125 0.3 A 26 GLN NE2 N 15 111.402 0.3 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 22 ARG HA A 22 ARG HGy 1.0 . 3.99 2 2 A 13 LEU HB2 A 13 LEU HDy% 1.0 . 3.60 3 3 A 13 LEU HB3 A 14 PRO HD2 1.0 . 4.72 4 4 A 14 PRO HD2 A 13 LEU HG 1.0 . 4.98 5 5 A 15 ALA HA A 16 LEU HA 1.0 . 4.94 6 6 A 7 LYS H A 9 LEU HD1% 1.0 . 5.50 7 7 A 7 LYS H A 9 LEU HD2% 1.0 . 5.50 8 8 A 5 VAL HB A 6 LEU HD2% 1.0 . 4.60 9 9 A 6 LEU HA A 6 LEU HD1% 1.0 . 4.50 10 10 A 6 LEU HD2% A 6 LEU HA 1.0 . 4.71 11 11 A 6 LEU HD1% A 6 LEU HB3 1.0 . 3.41 12 12 A 6 LEU HD1% A 7 LYS HDx 1.0 . 3.55 13 12 A 6 LEU HD1% A 7 LYS HDy 1.0 . 3.55 14 13 A 6 LEU HD1% A 7 LYS HBx 1.0 . 4.40 15 13 A 6 LEU HD1% A 7 LYS HBy 1.0 . 4.40 16 14 A 21 LYS HA A 21 LYS HDx 1.0 . 4.34 17 14 A 21 LYS HA A 21 LYS HDy 1.0 . 4.34 18 15 A 25 GLN HBx A 26 GLN HBy 1.0 . 4.85 19 16 A 14 PRO HG3 A 15 ALA HB% 1.0 . 4.42 20 17 A 15 ALA HB% A 18 SER HBx 1.0 . 5.31 21 18 A 15 ALA HB% A 18 SER HBy 1.0 . 5.25 22 19 A 15 ALA HB% A 14 PRO HB3 1.0 . 4.42 23 20 A 6 LEU HD2% A 4 ALA HB% 1.0 . 5.11 24 21 A 15 ALA HB% A 12 GLY HAy 1.0 . 3.80 25 22 A 4 ALA HB% A 5 VAL HG2% 1.0 . 4.67 26 23 A 26 GLN HA A 26 GLN HGx 1.0 . 3.94 27 23 A 26 GLN HA A 26 GLN HGy 1.0 . 3.94 28 24 A 8 VAL HA A 8 VAL HG1% 1.0 . 3.83 29 25 A 5 VAL HA A 8 VAL HG2% 1.0 . 3.68 30 26 A 2 ILE HB A 2 ILE HD1% 1.0 . 3.71 31 27 A 5 VAL HG2% A 3 GLY HA3 1.0 . 5.16 32 28 A 24 ARG HA A 24 ARG HGy 1.0 . 4.15 33 29 A 24 ARG HBy A 25 GLN HBy 1.0 . 3.71 34 30 A 24 ARG HBy A 25 GLN HGx 1.0 . 4.88 35 30 A 24 ARG HBy A 25 GLN HGy 1.0 . 4.88 36 31 A 6 LEU HA A 9 LEU HG 1.0 . 4.71 37 32 A 6 LEU HA A 5 VAL HG1% 1.0 . 4.25 38 33 A 6 LEU HA A 5 VAL HG2% 1.0 . 4.38 39 34 A 17 ILE HB A 21 LYS HEx 1.0 . 4.82 40 34 A 17 ILE HB A 21 LYS HEy 1.0 . 4.82 41 35 A 22 ARG HGx A 23 LYS H 1.0 . 4.83 42 36 A 23 LYS HB3 A 24 ARG HGx 1.0 . 3.75 43 37 A 24 ARG HGx A 23 LYS HG2 1.0 . 4.10 44 38 A 7 LYS HA A 7 LYS HGx 1.0 . 4.17 45 38 A 7 LYS HA A 7 LYS HGy 1.0 . 4.17 46 39 A 7 LYS HA A 7 LYS HDx 1.0 . 4.18 47 39 A 7 LYS HDy A 7 LYS HA 1.0 . 4.18 48 40 A 16 LEU HB2 A 16 LEU HDy% 1.0 . 3.76 49 41 A 16 LEU HDx% A 17 ILE HG2% 1.0 . 2.40 50 42 A 16 LEU HDx% A 16 LEU HB3 1.0 . 3.49 51 43 A 9 LEU HD2% A 5 VAL HA 1.0 . 4.16 52 44 A 5 VAL HA A 5 VAL HG1% 1.0 . 3.62 53 45 A 20 ILE HA A 20 ILE HG2% 1.0 . 4.11 54 46 A 20 ILE HA A 20 ILE HD1% 1.0 . 4.45 55 47 A 24 ARG HBy A 24 ARG HDx 1.0 . 3.87 56 47 A 24 ARG HBy A 24 ARG HDy 1.0 . 3.87 57 48 A 24 ARG HBx A 24 ARG HDx 1.0 . 3.84 58 48 A 24 ARG HDy A 24 ARG HBx 1.0 . 3.84 59 49 A 23 LYS H A 22 ARG HDx 1.0 . 5.39 60 49 A 23 LYS H A 22 ARG HDy 1.0 . 5.39 61 50 A 17 ILE HG2% A 17 ILE HG1x 1.0 . 3.46 62 50 A 17 ILE HG2% A 17 ILE HG1y 1.0 . 3.46 63 51 A 6 LEU HA A 9 LEU HBy 1.0 . 5.05 64 52 A 6 LEU HD2% A 6 LEU HB2 1.0 . 3.38 65 53 A 6 LEU HD2% A 5 VAL HG2% 1.0 . 2.40 66 54 A 25 GLN HBx A 24 ARG HGy 1.0 . 5.11 67 55 A 9 LEU HD1% A 9 LEU HBx 1.0 . 3.68 68 56 A 9 LEU HD2% A 8 VAL HB 1.0 . 4.17 69 57 A 4 ALA HB% A 8 VAL HG1% 1.0 . 3.88 70 58 A 8 VAL HG1% A 7 LYS HBx 1.0 . 4.35 71 58 A 7 LYS HBy A 8 VAL HG1% 1.0 . 4.35 72 59 A 14 PRO HB3 A 17 ILE HG1x 1.0 . 5.50 73 59 A 14 PRO HB3 A 17 ILE HG1y 1.0 . 5.50 74 60 A 13 LEU HG A 14 PRO HB3 1.0 . 4.94 75 61 A 26 GLN HA A 25 GLN HA 1.0 . 4.47 76 62 A 8 VAL HG2% A 9 LEU HA 1.0 . 4.13 77 63 A 8 VAL HG2% A 7 LYS HBx 1.0 . 4.43 78 63 A 7 LYS HBy A 8 VAL HG2% 1.0 . 4.43 79 64 A 2 ILE HD1% A 2 ILE HA 1.0 . 3.91 80 65 A 5 VAL HB A 2 ILE HA 1.0 . 4.25 81 66 A 2 ILE HA A 2 ILE HG2% 1.0 . 3.93 82 67 A 20 ILE HG2% A 21 LYS HEx 1.0 . 4.29 83 67 A 21 LYS HEy A 20 ILE HG2% 1.0 . 4.29 84 68 A 20 ILE HG2% A 20 ILE HG1x 1.0 . 3.73 85 69 A 20 ILE HG2% A 17 ILE HA 1.0 . 4.89 86 70 A 20 ILE HG2% A 20 ILE HG1y 1.0 . 4.04 87 71 A 20 ILE HG2% A 19 TRP HBx 1.0 . 5.16 88 72 A 13 LEU HB3 A 13 LEU HDx% 1.0 . 3.63 89 73 A 13 LEU HB2 A 13 LEU HDx% 1.0 . 3.77 90 74 A 18 SER HA A 21 LYS HBx 1.0 . 4.54 91 74 A 18 SER HA A 21 LYS HBy 1.0 . 4.54 92 75 A 21 LYS HBy A 21 LYS HEx 1.0 . 4.67 93 75 A 21 LYS HEy A 21 LYS HBx 1.0 . 4.67 94 75 A 21 LYS HEy A 21 LYS HBy 1.0 . 4.67 95 75 A 21 LYS HBx A 21 LYS HEx 1.0 . 4.67 96 76 A 5 VAL HB A 2 ILE HG2% 1.0 . 4.49 97 77 A 3 GLY HA3 A 2 ILE HG2% 1.0 . 4.43 98 78 A 2 ILE HG2% A 3 GLY HA2 1.0 . 4.70 99 79 A 13 LEU HDy% A 13 LEU HB3 1.0 . 4.11 100 80 A 13 LEU HB3 A 14 PRO HD3 1.0 . 4.94 101 81 A 13 LEU HDy% A 13 LEU HA 1.0 . 4.09 102 82 A 13 LEU HDx% A 13 LEU HA 1.0 . 3.69 103 83 A 24 ARG HGy A 23 LYS HB3 1.0 . 4.30 104 84 A 6 LEU HB3 A 7 LYS HGx 1.0 . 4.93 105 84 A 6 LEU HB3 A 7 LYS HGy 1.0 . 4.93 106 85 A 6 LEU HB3 A 7 LYS HDx 1.0 . 5.50 107 85 A 6 LEU HB3 A 7 LYS HDy 1.0 . 5.50 108 86 A 6 LEU HB3 A 7 LYS HBx 1.0 . 5.39 109 86 A 6 LEU HB3 A 7 LYS HBy 1.0 . 5.39 110 87 A 4 ALA HA A 7 LYS HDx 1.0 . 4.49 111 87 A 7 LYS HDy A 4 ALA HA 1.0 . 4.49 112 88 A 13 LEU HG A 14 PRO HD3 1.0 . 4.63 113 89 A 16 LEU HA A 16 LEU HDx% 1.0 . 4.31 114 90 A 16 LEU HA A 16 LEU HDy% 1.0 . 4.48 115 91 A 16 LEU HA A 17 ILE HG2% 1.0 . 4.86 116 92 A 17 ILE HB A 17 ILE HD1% 1.0 . 3.81 117 93 A 13 LEU HG A 17 ILE HD1% 1.0 . 3.61 118 94 A 17 ILE HG2% A 17 ILE HD1% 1.0 . 2.83 119 95 A 16 LEU HB3 A 17 ILE HD1% 1.0 . 3.80 120 96 A 5 VAL HG2% A 6 LEU HG 1.0 . 3.66 121 97 A 20 ILE HG2% A 19 TRP HBy 1.0 . 5.19 122 98 A 22 ARG HGy A 23 LYS HB2 1.0 . 4.38 123 99 A 13 LEU HG A 14 PRO HA 1.0 . 4.66 124 100 A 23 LYS H A 20 ILE HG1y 1.0 . 5.13 125 101 A 22 ARG HA A 22 ARG HDx 1.0 . 4.41 126 101 A 22 ARG HA A 22 ARG HDy 1.0 . 4.41 127 102 A 8 VAL HG1% A 7 LYS HDx 1.0 . 4.78 128 102 A 7 LYS HDy A 8 VAL HG1% 1.0 . 4.78 129 103 A 8 VAL HG2% A 7 LYS HDx 1.0 . 5.25 130 103 A 7 LYS HDy A 8 VAL HG2% 1.0 . 5.25 131 104 A 4 ALA HB% A 7 LYS HDx 1.0 . 3.49 132 104 A 7 LYS HDy A 4 ALA HB% 1.0 . 3.49 133 105 A 18 SER HBx A 17 ILE HG2% 1.0 . 5.50 134 106 A 16 LEU HA A 20 ILE HG2% 1.0 . 5.50 135 107 A 17 ILE HG2% A 16 LEU HB3 1.0 . 3.62 136 108 A 9 LEU HD1% A 6 LEU HA 1.0 . 3.84 137 109 A 9 LEU HD2% A 9 LEU HA 1.0 . 3.99 138 110 A 6 LEU HA A 7 LYS HDx 1.0 . 5.11 139 110 A 6 LEU HA A 7 LYS HDy 1.0 . 5.11 140 111 A 6 LEU HD2% A 7 LYS HBx 1.0 . 5.50 141 111 A 6 LEU HD2% A 7 LYS HBy 1.0 . 5.50 142 112 A 4 ALA HA A 7 LYS HBx 1.0 . 4.23 143 112 A 7 LYS HBy A 4 ALA HA 1.0 . 4.23 144 113 A 4 ALA HB% A 7 LYS HBx 1.0 . 3.87 145 113 A 7 LYS HBy A 4 ALA HB% 1.0 . 3.87 146 114 A 7 LYS HBx A 7 LYS HDx 1.0 . 3.91 147 114 A 7 LYS HBy A 7 LYS HDx 1.0 . 3.91 148 114 A 7 LYS HDy A 7 LYS HBx 1.0 . 3.91 149 114 A 7 LYS HDy A 7 LYS HBy 1.0 . 3.91 150 115 A 11 THR HA A 11 THR HG2% 1.0 . 3.15 151 116 A 10 THR HA A 10 THR HG2% 1.0 . 3.41 152 117 A 25 GLN HBy A 25 GLN HGx 1.0 . 2.98 153 117 A 25 GLN HBy A 25 GLN HGy 1.0 . 2.98 154 118 A 24 ARG HGy A 23 LYS HG2 1.0 . 4.42 155 119 A 5 VAL HG2% A 3 GLY HA2 1.0 . 5.11 156 120 A 9 LEU HA A 10 THR HA 1.0 . 4.83 157 121 A 5 VAL HB A 2 ILE HD1% 1.0 . 4.78 158 122 A 2 ILE HD1% A 2 ILE HG2% 1.0 . 2.40 159 123 A 5 VAL HG2% A 6 LEU HB2 1.0 . 3.91 160 124 A 5 VAL HG2% A 2 ILE HA 1.0 . 4.64 161 125 A 6 LEU HB3 A 5 VAL HG2% 1.0 . 4.34 162 126 A 20 ILE HD1% A 20 ILE HB 1.0 . 3.87 163 127 A 13 LEU HA A 12 GLY HAx 1.0 . 4.49 164 128 A 12 GLY HAy A 11 THR HA 1.0 . 5.20 165 129 A 12 GLY HAy A 13 LEU HA 1.0 . 5.50 166 130 A 14 PRO HD3 A 11 THR HA 1.0 . 5.47 167 131 A 14 PRO HD2 A 11 THR HA 1.0 . 4.89 168 132 A 7 LYS HEx A 7 LYS HGx 1.0 . 3.83 169 132 A 7 LYS HEy A 7 LYS HGx 1.0 . 3.83 170 132 A 7 LYS HGy A 7 LYS HEx 1.0 . 3.83 171 132 A 7 LYS HGy A 7 LYS HEy 1.0 . 3.83 172 133 A 20 ILE HG1y A 23 LYS HEx 1.0 . 5.33 173 134 A 23 LYS HB3 A 20 ILE HG1y 1.0 . 4.29 174 135 A 20 ILE HG1y A 23 LYS HB2 1.0 . 4.82 175 136 A 16 LEU HG A 17 ILE H 1.0 . 3.96 176 137 A 16 LEU HB3 A 17 ILE H 1.0 . 3.75 177 138 A 15 ALA HA A 17 ILE H 1.0 . 5.38 178 139 A 18 SER HA A 17 ILE H 1.0 . 5.50 179 140 A 16 LEU HB2 A 17 ILE H 1.0 . 4.27 180 141 A 16 LEU HDx% A 17 ILE H 1.0 . 3.98 181 142 A 17 ILE H A 16 LEU H 1.0 . 4.06 182 143 A 17 ILE HG2% A 17 ILE H 1.0 . 3.47 183 144 A 18 SER HBx A 17 ILE H 1.0 . 5.30 184 145 A 18 SER HBy A 17 ILE H 1.0 . 5.50 185 146 A 16 LEU HA A 19 TRP H 1.0 . 4.13 186 147 A 19 TRP H A 20 ILE H 1.0 . 4.14 187 148 A 19 TRP HBy A 19 TRP H 1.0 . 3.76 188 149 A 16 LEU HDx% A 19 TRP H 1.0 . 5.32 189 150 A 20 ILE HG2% A 19 TRP H 1.0 . 4.01 190 151 A 19 TRP H A 21 LYS HBx 1.0 . 4.87 191 151 A 21 LYS HBy A 19 TRP H 1.0 . 4.87 192 152 A 17 ILE HD1% A 19 TRP H 1.0 . 4.37 193 153 A 19 TRP H A 18 SER H 1.0 . 3.38 194 154 A 18 SER HBx A 19 TRP H 1.0 . 4.39 195 155 A 18 SER HBy A 19 TRP H 1.0 . 4.62 196 156 A 19 TRP HBx A 19 TRP H 1.0 . 4.00 197 157 A 4 ALA HB% A 4 ALA H 1.0 . 3.37 198 158 A 6 LEU HG A 4 ALA H 1.0 . 5.15 199 159 A 5 VAL HA A 4 ALA H 1.0 . 5.17 200 160 A 4 ALA H A 3 GLY H 1.0 . 4.47 201 161 A 4 ALA H A 5 VAL H 1.0 . 4.04 202 162 A 6 LEU HD2% A 4 ALA H 1.0 . 4.32 203 163 A 7 LYS H A 4 ALA H 1.0 . 5.25 204 164 A 2 ILE HB A 4 ALA H 1.0 . 4.86 205 165 A 5 VAL HG2% A 4 ALA H 1.0 . 4.07 206 166 A 2 ILE HA A 4 ALA H 1.0 . 4.19 207 167 A 4 ALA H A 6 LEU H 1.0 . 4.56 208 168 A 8 VAL HG2% A 10 THR H 1.0 . 4.66 209 169 A 10 THR H A 7 LYS HBx 1.0 . 4.92 210 169 A 7 LYS HBy A 10 THR H 1.0 . 4.92 211 170 A 10 THR H A 9 LEU H 1.0 . 4.21 212 171 A 8 VAL HA A 10 THR H 1.0 . 4.65 213 172 A 10 THR HG2% A 10 THR H 1.0 . 4.04 214 173 A 7 LYS HA A 10 THR H 1.0 . 4.12 215 174 A 10 THR H A 10 THR HB 1.0 . 4.07 216 175 A 9 LEU HD1% A 10 THR H 1.0 . 5.13 217 176 A 9 LEU HD2% A 10 THR H 1.0 . 5.41 218 177 A 9 LEU HBy A 10 THR H 1.0 . 4.16 219 178 A 8 VAL HG1% A 11 THR H 1.0 . 5.26 220 179 A 8 VAL HG2% A 11 THR H 1.0 . 5.12 221 180 A 10 THR H A 11 THR H 1.0 . 3.88 222 181 A 9 LEU HA A 11 THR H 1.0 . 4.67 223 182 A 7 LYS HA A 11 THR H 1.0 . 4.83 224 183 A 12 GLY HAx A 11 THR H 1.0 . 5.40 225 184 A 11 THR H A 8 VAL H 1.0 . 4.76 226 185 A 11 THR H A 12 GLY H 1.0 . 4.02 227 186 A 8 VAL HA A 11 THR H 1.0 . 4.54 228 187 A 10 THR HG2% A 11 THR H 1.0 . 4.26 229 188 A 11 THR HG2% A 11 THR H 1.0 . 4.64 230 189 A 11 THR H A 11 THR HB 1.0 . 3.57 231 190 A 9 LEU HD2% A 11 THR H 1.0 . 5.50 232 191 A 9 LEU HBy A 11 THR H 1.0 . 5.30 233 192 A 19 TRP HBy A 19 TRP HE1 1.0 . 4.97 234 193 A 22 ARG HGx A 20 ILE H 1.0 . 4.95 235 194 A 20 ILE HG1y A 20 ILE H 1.0 . 5.02 236 195 A 17 ILE HA A 20 ILE H 1.0 . 4.97 237 196 A 19 TRP HBy A 20 ILE H 1.0 . 5.13 238 197 A 20 ILE H A 21 LYS H 1.0 . 4.24 239 198 A 20 ILE H A 21 LYS HG2 1.0 . 5.50 240 199 A 20 ILE H A 21 LYS HDx 1.0 . 5.50 241 199 A 21 LYS HDy A 20 ILE H 1.0 . 5.50 242 200 A 22 ARG HGy A 20 ILE H 1.0 . 5.50 243 201 A 20 ILE HB A 20 ILE H 1.0 . 3.84 244 202 A 20 ILE HG2% A 20 ILE H 1.0 . 3.49 245 203 A 18 SER HA A 20 ILE H 1.0 . 4.93 246 204 A 20 ILE H A 21 LYS HBx 1.0 . 4.33 247 204 A 21 LYS HBy A 20 ILE H 1.0 . 4.33 248 205 A 20 ILE HG1x A 20 ILE H 1.0 . 4.86 249 206 A 19 TRP HBx A 20 ILE H 1.0 . 4.25 250 207 A 21 LYS H A 21 LYS HBx 1.0 . 3.54 251 207 A 21 LYS HBy A 21 LYS H 1.0 . 3.54 252 208 A 22 ARG HGx A 21 LYS H 1.0 . 4.52 253 209 A 20 ILE HG1y A 21 LYS H 1.0 . 4.12 254 210 A 17 ILE HA A 21 LYS H 1.0 . 4.47 255 211 A 21 LYS H A 21 LYS HG2 1.0 . 4.95 256 212 A 21 LYS H A 21 LYS HDx 1.0 . 5.42 257 212 A 21 LYS HDy A 21 LYS H 1.0 . 5.42 258 213 A 20 ILE HB A 21 LYS H 1.0 . 4.23 259 214 A 20 ILE HG2% A 21 LYS H 1.0 . 3.67 260 215 A 18 SER HA A 21 LYS H 1.0 . 4.54 261 216 A 22 ARG H A 21 LYS HBx 1.0 . 4.01 262 216 A 21 LYS HBy A 22 ARG H 1.0 . 4.01 263 217 A 22 ARG H A 22 ARG HBx 1.0 . 4.20 264 217 A 22 ARG H A 22 ARG HBy 1.0 . 4.20 265 218 A 22 ARG HGx A 22 ARG H 1.0 . 3.90 266 219 A 22 ARG HGy A 22 ARG H 1.0 . 3.76 267 220 A 4 ALA HB% A 8 VAL H 1.0 . 4.36 268 221 A 6 LEU HG A 8 VAL H 1.0 . 4.98 269 222 A 8 VAL H A 7 LYS HBx 1.0 . 3.71 270 222 A 7 LYS HBy A 8 VAL H 1.0 . 3.71 271 223 A 8 VAL H A 7 LYS HDx 1.0 . 4.75 272 223 A 7 LYS HDy A 8 VAL H 1.0 . 4.75 273 224 A 6 LEU HA A 8 VAL H 1.0 . 4.92 274 225 A 9 LEU HD2% A 8 VAL H 1.0 . 4.34 275 226 A 9 LEU H A 8 VAL H 1.0 . 4.03 276 227 A 8 VAL HB A 8 VAL H 1.0 . 3.79 277 228 A 26 GLN HBy A 26 GLN H 1.0 . 3.83 278 229 A 26 GLN H A 26 GLN HBx 1.0 . 3.71 279 230 A 16 LEU H A 19 TRP H 1.0 . 5.16 280 231 A 16 LEU HG A 16 LEU H 1.0 . 4.53 281 232 A 16 LEU HB3 A 16 LEU H 1.0 . 3.61 282 233 A 17 ILE HA A 16 LEU H 1.0 . 5.50 283 234 A 19 TRP HBy A 16 LEU H 1.0 . 5.50 284 235 A 16 LEU HB2 A 16 LEU H 1.0 . 3.87 285 236 A 16 LEU HDx% A 16 LEU H 1.0 . 4.10 286 237 A 17 ILE HG2% A 16 LEU H 1.0 . 4.22 287 238 A 14 PRO HG3 A 16 LEU H 1.0 . 5.19 288 239 A 17 ILE HD1% A 16 LEU H 1.0 . 3.80 289 240 A 16 LEU H A 15 ALA H 1.0 . 4.10 290 241 A 15 ALA HB% A 16 LEU H 1.0 . 3.55 291 242 A 13 LEU HB2 A 16 LEU H 1.0 . 5.50 292 243 A 14 PRO HB3 A 16 LEU H 1.0 . 5.50 293 244 A 14 PRO HD2 A 16 LEU H 1.0 . 4.49 294 245 A 12 GLY HAy A 16 LEU H 1.0 . 4.00 295 246 A 14 PRO HD3 A 16 LEU H 1.0 . 5.36 296 247 A 2 ILE HB A 3 GLY H 1.0 . 4.77 297 248 A 2 ILE HG2% A 3 GLY H 1.0 . 4.10 298 249 A 3 GLY H A 2 ILE HG1y 1.0 . 4.68 299 250 A 4 ALA HB% A 3 GLY H 1.0 . 4.97 300 251 A 2 ILE HD1% A 3 GLY H 1.0 . 5.23 301 252 A 5 VAL HG2% A 3 GLY H 1.0 . 5.50 302 253 A 14 PRO HG3 A 13 LEU H 1.0 . 4.44 303 254 A 13 LEU HDy% A 13 LEU H 1.0 . 4.03 304 255 A 13 LEU HB3 A 13 LEU H 1.0 . 3.42 305 256 A 13 LEU HDx% A 13 LEU H 1.0 . 4.57 306 257 A 12 GLY H A 13 LEU H 1.0 . 3.46 307 258 A 13 LEU HB2 A 13 LEU H 1.0 . 3.69 308 259 A 14 PRO HD2 A 13 LEU H 1.0 . 3.82 309 260 A 14 PRO HD3 A 13 LEU H 1.0 . 3.80 310 261 A 10 THR H A 12 GLY H 1.0 . 4.01 311 262 A 13 LEU HB2 A 12 GLY H 1.0 . 4.69 312 263 A 13 LEU HB3 A 12 GLY H 1.0 . 5.37 313 264 A 11 THR HG2% A 12 GLY H 1.0 . 4.88 314 265 A 15 ALA HB% A 12 GLY H 1.0 . 4.69 315 266 A 12 GLY H A 11 THR HB 1.0 . 3.78 316 267 A 9 LEU HD2% A 12 GLY H 1.0 . 5.50 317 268 A 14 PRO HD2 A 12 GLY H 1.0 . 4.73 318 269 A 8 VAL HA A 12 GLY H 1.0 . 4.53 319 270 A 8 VAL HG1% A 5 VAL H 1.0 . 4.56 320 271 A 5 VAL HG2% A 5 VAL H 1.0 . 3.28 321 272 A 4 ALA HB% A 5 VAL H 1.0 . 3.72 322 273 A 6 LEU HG A 5 VAL H 1.0 . 4.51 323 274 A 3 GLY HA2 A 5 VAL H 1.0 . 4.48 324 275 A 3 GLY HA3 A 5 VAL H 1.0 . 4.63 325 276 A 6 LEU HD2% A 5 VAL H 1.0 . 3.55 326 277 A 6 LEU HB2 A 5 VAL H 1.0 . 5.50 327 278 A 2 ILE HA A 5 VAL H 1.0 . 3.90 328 279 A 5 VAL HB A 5 VAL H 1.0 . 3.84 329 280 A 24 ARG HBy A 25 GLN H 1.0 . 3.91 330 281 A 25 GLN HBx A 26 GLN H 1.0 . 4.07 331 282 A 26 GLN H A 25 GLN HGx 1.0 . 3.60 332 282 A 25 GLN HGy A 26 GLN H 1.0 . 3.60 333 283 A 26 GLN H A 26 GLN HGx 1.0 . 4.01 334 283 A 26 GLN HGy A 26 GLN H 1.0 . 4.01 335 284 A 23 LYS HB3 A 25 GLN H 1.0 . 4.82 336 285 A 25 GLN HBy A 25 GLN H 1.0 . 3.50 337 286 A 24 ARG HGy A 25 GLN H 1.0 . 4.13 338 287 A 24 ARG HGx A 25 GLN H 1.0 . 4.06 339 288 A 8 VAL HG1% A 9 LEU H 1.0 . 4.18 340 289 A 8 VAL HG2% A 9 LEU H 1.0 . 3.87 341 290 A 9 LEU HBx A 9 LEU H 1.0 . 3.96 342 291 A 9 LEU H A 7 LYS HBx 1.0 . 4.42 343 291 A 7 LYS HBy A 9 LEU H 1.0 . 4.42 344 292 A 9 LEU H A 7 LYS HDx 1.0 . 5.50 345 292 A 7 LYS HDy A 9 LEU H 1.0 . 5.50 346 293 A 9 LEU HD2% A 9 LEU H 1.0 . 3.60 347 294 A 7 LYS HA A 9 LEU H 1.0 . 4.36 348 295 A 8 VAL HB A 9 LEU H 1.0 . 4.27 349 296 A 9 LEU HBy A 9 LEU H 1.0 . 3.87 350 297 A 9 LEU HG A 9 LEU H 1.0 . 4.35 351 298 A 24 ARG H A 24 ARG HDx 1.0 . 4.35 352 298 A 24 ARG HDy A 24 ARG H 1.0 . 4.35 353 299 A 23 LYS HB3 A 24 ARG H 1.0 . 3.84 354 300 A 21 LYS HA A 24 ARG H 1.0 . 4.19 355 301 A 24 ARG HGy A 24 ARG H 1.0 . 3.65 356 302 A 24 ARG HGx A 24 ARG H 1.0 . 3.88 357 303 A 17 ILE H A 18 SER H 1.0 . 4.28 358 304 A 16 LEU HA A 18 SER H 1.0 . 4.41 359 305 A 16 LEU HG A 18 SER H 1.0 . 5.40 360 306 A 16 LEU HB3 A 18 SER H 1.0 . 4.68 361 307 A 16 LEU HB2 A 18 SER H 1.0 . 5.50 362 308 A 16 LEU H A 18 SER H 1.0 . 3.94 363 309 A 17 ILE HG2% A 18 SER H 1.0 . 3.91 364 310 A 18 SER HBx A 18 SER H 1.0 . 3.42 365 311 A 18 SER HBy A 18 SER H 1.0 . 3.87 366 312 A 17 ILE HB A 18 SER H 1.0 . 4.46 367 313 A 18 SER H A 21 LYS HBx 1.0 . 4.91 368 313 A 21 LYS HBy A 18 SER H 1.0 . 4.91 369 314 A 17 ILE HD1% A 18 SER H 1.0 . 3.94 370 315 A 15 ALA HB% A 18 SER H 1.0 . 4.76 371 316 A 16 LEU HA A 15 ALA H 1.0 . 5.18 372 317 A 16 LEU HB3 A 15 ALA H 1.0 . 4.62 373 318 A 13 LEU HDy% A 15 ALA H 1.0 . 5.50 374 319 A 17 ILE HG2% A 15 ALA H 1.0 . 5.50 375 320 A 12 GLY HAy A 15 ALA H 1.0 . 3.70 376 321 A 13 LEU HG A 15 ALA H 1.0 . 4.71 377 322 A 15 ALA H A 14 PRO HB2 1.0 . 4.30 378 323 A 14 PRO HG3 A 15 ALA H 1.0 . 4.29 379 324 A 15 ALA HB% A 15 ALA H 1.0 . 3.55 380 325 A 14 PRO HB3 A 15 ALA H 1.0 . 3.91 381 326 A 14 PRO HD2 A 15 ALA H 1.0 . 4.46 382 327 A 14 PRO HD3 A 15 ALA H 1.0 . 4.40 383 328 A 7 LYS H A 4 ALA HA 1.0 . 4.58 384 329 A 7 LYS H A 8 VAL HG2% 1.0 . 4.32 385 330 A 7 LYS H A 6 LEU HG 1.0 . 3.59 386 331 A 7 LYS H A 7 LYS HBx 1.0 . 3.34 387 331 A 7 LYS H A 7 LYS HBy 1.0 . 3.34 388 332 A 7 LYS H A 7 LYS HDx 1.0 . 4.45 389 332 A 7 LYS H A 7 LYS HDy 1.0 . 4.45 390 333 A 7 LYS H A 8 VAL H 1.0 . 3.28 391 334 A 7 LYS H A 7 LYS HGx 1.0 . 3.99 392 334 A 7 LYS H A 7 LYS HGy 1.0 . 3.99 393 335 A 7 LYS H A 5 VAL HG2% 1.0 . 4.14 394 336 A 7 LYS H A 6 LEU HD1% 1.0 . 4.37 395 337 A 7 LYS H A 6 LEU HD2% 1.0 . 4.79 396 338 A 7 LYS H A 6 LEU HB3 1.0 . 3.86 397 339 A 7 LYS H A 5 VAL HA 1.0 . 4.59 398 340 A 7 LYS H A 6 LEU HB2 1.0 . 4.26 399 341 A 23 LYS H A 22 ARG HBx 1.0 . 4.00 400 341 A 23 LYS H A 22 ARG HBy 1.0 . 4.00 401 342 A 23 LYS H A 22 ARG H 1.0 . 4.45 402 343 A 22 ARG HGy A 23 LYS H 1.0 . 3.80 403 344 A 23 LYS H A 23 LYS HB3 1.0 . 3.66 404 345 A 21 LYS HA A 23 LYS H 1.0 . 3.96 405 346 A 23 LYS H A 23 LYS HB2 1.0 . 3.75 406 347 A 23 LYS H A 23 LYS HG3 1.0 . 5.50 407 348 A 23 LYS H A 23 LYS HDx 1.0 . 5.50 408 348 A 23 LYS H A 23 LYS HDy 1.0 . 5.50 409 349 A 8 VAL HG1% A 6 LEU H 1.0 . 5.42 410 350 A 4 ALA HA A 6 LEU H 1.0 . 4.59 411 351 A 8 VAL HG2% A 6 LEU H 1.0 . 4.21 412 352 A 6 LEU HG A 6 LEU H 1.0 . 3.33 413 353 A 3 GLY HA2 A 6 LEU H 1.0 . 4.15 414 354 A 3 GLY HA3 A 6 LEU H 1.0 . 5.21 415 355 A 5 VAL HG2% A 6 LEU H 1.0 . 3.34 416 356 A 5 VAL H A 6 LEU H 1.0 . 4.14 417 357 A 6 LEU HD2% A 6 LEU H 1.0 . 3.34 418 358 A 6 LEU HB3 A 6 LEU H 1.0 . 3.94 419 359 A 7 LYS H A 6 LEU H 1.0 . 4.11 420 360 A 6 LEU HB2 A 6 LEU H 1.0 . 3.33 421 361 A 5 VAL HB A 6 LEU H 1.0 . 4.12 422 362 A 12 GLY HAx A 15 ALA H 1.0 . 4.79 423 363 A 15 ALA HA A 18 SER H 1.0 . 3.55 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 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 16 LEU HDx% A 19 TRP HE3 1.0 . 5.0 2 2 A 16 LEU HDy% A 19 TRP HE3 1.0 . 5.0 3 3 A 16 LEU HDx% A 19 TRP HZ3 1.0 . 5.0 4 4 A 16 LEU HDy% A 19 TRP HZ3 1.0 . 5.0 5 5 A 16 LEU HDx% A 19 TRP HZ2 1.0 . 5.0 6 6 A 16 LEU HDy% A 19 TRP HZ2 1.0 . 5.0 7 7 A 16 LEU HDx% A 19 TRP HH2 1.0 . 5.0 8 8 A 16 LEU HDy% A 19 TRP HH2 1.0 . 5.0 9 9 A 16 LEU HDx% A 19 TRP HD1 1.0 . 5.0 10 10 A 16 LEU HDy% A 19 TRP HD1 1.0 . 5.0 11 11 A 16 LEU HDx% A 19 TRP HE1 1.0 . 5.0 12 12 A 16 LEU HDy% A 19 TRP HE1 1.0 . 5.0 13 13 A 19 TRP HE3 A 22 ARG HDx 1.0 . 5.0 14 13 A 22 ARG HDy A 19 TRP HE3 1.0 . 5.0 15 14 A 19 TRP HZ3 A 22 ARG HDx 1.0 . 5.0 16 14 A 22 ARG HDy A 19 TRP HZ3 1.0 . 5.0 17 15 A 19 TRP HZ2 A 22 ARG HDx 1.0 . 5.0 18 15 A 22 ARG HDy A 19 TRP HZ2 1.0 . 5.0 19 16 A 19 TRP HH2 A 22 ARG HDx 1.0 . 5.0 20 16 A 22 ARG HDy A 19 TRP HH2 1.0 . 5.0 21 17 A 19 TRP HD1 A 22 ARG HDx 1.0 . 5.0 22 17 A 22 ARG HDy A 19 TRP HD1 1.0 . 5.0 23 18 A 19 TRP HE1 A 22 ARG HDx 1.0 . 5.0 24 18 A 22 ARG HDy A 19 TRP HE1 1.0 . 5.0 25 19 A 15 ALA HB% A 19 TRP HE3 1.0 . 5.0 26 20 A 15 ALA HB% A 19 TRP HZ3 1.0 . 5.0 27 21 A 15 ALA HB% A 19 TRP HZ2 1.0 . 5.0 28 22 A 15 ALA HB% A 19 TRP HH2 1.0 . 5.0 29 23 A 15 ALA HB% A 19 TRP HD1 1.0 . 5.0 30 24 A 15 ALA HB% A 19 TRP HE1 1.0 . 5.0 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 GLY C A 2 ILE N A 2 ILE CA A 2 ILE C 1.0 -175.0 75.0 PHI 2 2 A 1 GLY C A 2 ILE N A 2 ILE CA A 2 ILE C 1.0 -255.0 -25.0 PHI 3 3 A 1 GLY C A 2 ILE N A 2 ILE CA A 2 ILE C 1.0 -135.0 75.0 PHI 4 4 A 2 ILE N A 2 ILE CA A 2 ILE C A 3 GLY N 1.0 -75.0 185.0 PSI 5 5 A 2 ILE N A 2 ILE CA A 2 ILE C A 3 GLY N 1.0 25.0 55.0 PSI 6 6 A 2 ILE N A 2 ILE CA A 2 ILE C A 3 GLY N 1.0 105.0 185.0 PSI 7 7 A 3 GLY C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -175.0 75.0 PHI 8 8 A 3 GLY C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -255.0 -25.0 PHI 9 9 A 3 GLY C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -135.0 75.0 PHI 10 10 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 VAL N 1.0 -75.0 185.0 PSI 11 11 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 VAL N 1.0 25.0 55.0 PSI 12 12 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 VAL N 1.0 105.0 185.0 PSI 13 13 A 4 ALA C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -175.0 75.0 PHI 14 14 A 4 ALA C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -255.0 -25.0 PHI 15 15 A 4 ALA C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -135.0 75.0 PHI 16 16 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 LEU N 1.0 -75.0 185.0 PSI 17 17 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 LEU N 1.0 25.0 55.0 PSI 18 18 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 LEU N 1.0 105.0 185.0 PSI 19 19 A 5 VAL C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -175.0 75.0 PHI 20 20 A 5 VAL C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -255.0 -25.0 PHI 21 21 A 5 VAL C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -135.0 75.0 PHI 22 22 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 LYS N 1.0 -75.0 185.0 PSI 23 23 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 LYS N 1.0 25.0 55.0 PSI 24 24 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 LYS N 1.0 105.0 185.0 PSI 25 25 A 6 LEU C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -175.0 75.0 PHI 26 26 A 6 LEU C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -255.0 -25.0 PHI 27 27 A 6 LEU C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -135.0 75.0 PHI 28 28 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 VAL N 1.0 -75.0 185.0 PSI 29 29 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 VAL N 1.0 25.0 55.0 PSI 30 30 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 VAL N 1.0 105.0 185.0 PSI 31 31 A 7 LYS C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -175.0 75.0 PHI 32 32 A 7 LYS C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -255.0 -25.0 PHI 33 33 A 7 LYS C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -135.0 75.0 PHI 34 34 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 LEU N 1.0 -75.0 185.0 PSI 35 35 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 LEU N 1.0 25.0 55.0 PSI 36 36 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 LEU N 1.0 105.0 185.0 PSI 37 37 A 8 VAL C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -175.0 75.0 PHI 38 38 A 8 VAL C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -255.0 -25.0 PHI 39 39 A 8 VAL C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -135.0 75.0 PHI 40 40 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 THR N 1.0 -75.0 185.0 PSI 41 41 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 THR N 1.0 25.0 55.0 PSI 42 42 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 THR N 1.0 105.0 185.0 PSI 43 43 A 9 LEU C A 10 THR N A 10 THR CA A 10 THR C 1.0 -175.0 75.0 PHI 44 44 A 9 LEU C A 10 THR N A 10 THR CA A 10 THR C 1.0 -255.0 -25.0 PHI 45 45 A 9 LEU C A 10 THR N A 10 THR CA A 10 THR C 1.0 -135.0 75.0 PHI 46 46 A 10 THR N A 10 THR CA A 10 THR C A 11 THR N 1.0 -75.0 185.0 PSI 47 47 A 10 THR N A 10 THR CA A 10 THR C A 11 THR N 1.0 25.0 55.0 PSI 48 48 A 10 THR N A 10 THR CA A 10 THR C A 11 THR N 1.0 105.0 185.0 PSI 49 49 A 10 THR C A 11 THR N A 11 THR CA A 11 THR C 1.0 -175.0 75.0 PHI 50 50 A 10 THR C A 11 THR N A 11 THR CA A 11 THR C 1.0 -255.0 -25.0 PHI 51 51 A 10 THR C A 11 THR N A 11 THR CA A 11 THR C 1.0 -135.0 75.0 PHI 52 52 A 11 THR N A 11 THR CA A 11 THR C A 12 GLY N 1.0 -75.0 185.0 PSI 53 53 A 11 THR N A 11 THR CA A 11 THR C A 12 GLY N 1.0 25.0 55.0 PSI 54 54 A 11 THR N A 11 THR CA A 11 THR C A 12 GLY N 1.0 105.0 185.0 PSI 55 55 A 14 PRO C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -175.0 75.0 PHI 56 56 A 14 PRO C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -255.0 -25.0 PHI 57 57 A 14 PRO C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -135.0 75.0 PHI 58 58 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 LEU N 1.0 -75.0 185.0 PSI 59 59 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 LEU N 1.0 25.0 55.0 PSI 60 60 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 LEU N 1.0 105.0 185.0 PSI 61 61 A 15 ALA C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -175.0 75.0 PHI 62 62 A 15 ALA C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -255.0 -25.0 PHI 63 63 A 15 ALA C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -135.0 75.0 PHI 64 64 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 ILE N 1.0 -75.0 185.0 PSI 65 65 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 ILE N 1.0 25.0 55.0 PSI 66 66 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 ILE N 1.0 105.0 185.0 PSI 67 67 A 16 LEU C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -175.0 75.0 PHI 68 68 A 16 LEU C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -255.0 -25.0 PHI 69 69 A 16 LEU C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -135.0 75.0 PHI 70 70 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 SER N 1.0 -75.0 185.0 PSI 71 71 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 SER N 1.0 25.0 55.0 PSI 72 72 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 SER N 1.0 105.0 185.0 PSI 73 73 A 17 ILE C A 18 SER N A 18 SER CA A 18 SER C 1.0 -175.0 75.0 PHI 74 74 A 17 ILE C A 18 SER N A 18 SER CA A 18 SER C 1.0 -255.0 -25.0 PHI 75 75 A 17 ILE C A 18 SER N A 18 SER CA A 18 SER C 1.0 -135.0 75.0 PHI 76 76 A 18 SER N A 18 SER CA A 18 SER C A 19 TRP N 1.0 -75.0 185.0 PSI 77 77 A 18 SER N A 18 SER CA A 18 SER C A 19 TRP N 1.0 25.0 55.0 PSI 78 78 A 18 SER N A 18 SER CA A 18 SER C A 19 TRP N 1.0 105.0 185.0 PSI 79 79 A 18 SER C A 19 TRP N A 19 TRP CA A 19 TRP C 1.0 -175.0 75.0 PHI 80 80 A 18 SER C A 19 TRP N A 19 TRP CA A 19 TRP C 1.0 -255.0 -25.0 PHI 81 81 A 18 SER C A 19 TRP N A 19 TRP CA A 19 TRP C 1.0 -135.0 75.0 PHI 82 82 A 19 TRP N A 19 TRP CA A 19 TRP C A 20 ILE N 1.0 -75.0 185.0 PSI 83 83 A 19 TRP N A 19 TRP CA A 19 TRP C A 20 ILE N 1.0 25.0 55.0 PSI 84 84 A 19 TRP N A 19 TRP CA A 19 TRP C A 20 ILE N 1.0 105.0 185.0 PSI 85 85 A 19 TRP C A 20 ILE N A 20 ILE CA A 20 ILE C 1.0 -175.0 75.0 PHI 86 86 A 19 TRP C A 20 ILE N A 20 ILE CA A 20 ILE C 1.0 -255.0 -25.0 PHI 87 87 A 19 TRP C A 20 ILE N A 20 ILE CA A 20 ILE C 1.0 -135.0 75.0 PHI 88 88 A 20 ILE N A 20 ILE CA A 20 ILE C A 21 LYS N 1.0 -75.0 185.0 PSI 89 89 A 20 ILE N A 20 ILE CA A 20 ILE C A 21 LYS N 1.0 25.0 55.0 PSI 90 90 A 20 ILE N A 20 ILE CA A 20 ILE C A 21 LYS N 1.0 105.0 185.0 PSI 91 91 A 20 ILE C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -175.0 75.0 PHI 92 92 A 20 ILE C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -255.0 -25.0 PHI 93 93 A 20 ILE C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -135.0 75.0 PHI 94 94 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 ARG N 1.0 -75.0 185.0 PSI 95 95 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 ARG N 1.0 25.0 55.0 PSI 96 96 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 ARG N 1.0 105.0 185.0 PSI 97 97 A 21 LYS C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -175.0 75.0 PHI 98 98 A 21 LYS C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -255.0 -25.0 PHI 99 99 A 21 LYS C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -135.0 75.0 PHI 100 100 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 LYS N 1.0 -75.0 185.0 PSI 101 101 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 LYS N 1.0 25.0 55.0 PSI 102 102 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 LYS N 1.0 105.0 185.0 PSI 103 103 A 22 ARG C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -175.0 75.0 PHI 104 104 A 22 ARG C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -255.0 -25.0 PHI 105 105 A 22 ARG C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -135.0 75.0 PHI 106 106 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 ARG N 1.0 -75.0 185.0 PSI 107 107 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 ARG N 1.0 25.0 55.0 PSI 108 108 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 ARG N 1.0 105.0 185.0 PSI 109 109 A 23 LYS C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -175.0 75.0 PHI 110 110 A 23 LYS C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -255.0 -25.0 PHI 111 111 A 23 LYS C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -135.0 75.0 PHI 112 112 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 GLN N 1.0 -75.0 185.0 PSI 113 113 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 GLN N 1.0 25.0 55.0 PSI 114 114 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 GLN N 1.0 105.0 185.0 PSI 115 115 A 24 ARG C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -175.0 75.0 PHI 116 116 A 24 ARG C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -255.0 -25.0 PHI 117 117 A 24 ARG C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -135.0 75.0 PHI 118 118 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 GLN N 1.0 -75.0 185.0 PSI 119 119 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 GLN N 1.0 25.0 55.0 PSI 120 120 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 GLN N 1.0 105.0 185.0 PSI 121 121 A 25 GLN C A 26 GLN N A 26 GLN CA A 26 GLN C 1.0 -175.0 75.0 PHI 122 122 A 25 GLN C A 26 GLN N A 26 GLN CA A 26 GLN C 1.0 -255.0 -25.0 PHI 123 123 A 25 GLN C A 26 GLN N A 26 GLN CA A 26 GLN C 1.0 -135.0 75.0 PHI 124 124 A 2 ILE N A 2 ILE CA A 2 ILE CB A 2 ILE CG1 1.0 -90.0 210.0 CHI1 125 125 A 2 ILE N A 2 ILE CA A 2 ILE CB A 2 ILE CG1 1.0 -330.0 -30.0 CHI1 126 126 A 2 ILE N A 2 ILE CA A 2 ILE CB A 2 ILE CG1 1.0 -210.0 90.0 CHI1 127 127 A 2 ILE CA A 2 ILE CB A 2 ILE CG1 A 2 ILE CD1 1.0 -90.0 210.0 CHI21 128 128 A 2 ILE CA A 2 ILE CB A 2 ILE CG1 A 2 ILE CD1 1.0 -330.0 -30.0 CHI21 129 129 A 2 ILE CA A 2 ILE CB A 2 ILE CG1 A 2 ILE CD1 1.0 -210.0 90.0 CHI21 130 130 A 5 VAL N A 5 VAL CA A 5 VAL CB A 5 VAL CG1 1.0 -90.0 210.0 CHI1 131 131 A 5 VAL N A 5 VAL CA A 5 VAL CB A 5 VAL CG1 1.0 -330.0 -30.0 CHI1 132 132 A 5 VAL N A 5 VAL CA A 5 VAL CB A 5 VAL CG1 1.0 -210.0 90.0 CHI1 133 133 A 6 LEU N A 6 LEU CA A 6 LEU CB A 6 LEU CG 1.0 -90.0 210.0 CHI1 134 134 A 6 LEU N A 6 LEU CA A 6 LEU CB A 6 LEU CG 1.0 -330.0 -30.0 CHI1 135 135 A 6 LEU N A 6 LEU CA A 6 LEU CB A 6 LEU CG 1.0 -210.0 90.0 CHI1 136 136 A 6 LEU CA A 6 LEU CB A 6 LEU CG A 6 LEU CD1 1.0 -90.0 210.0 CHI2 137 137 A 6 LEU CA A 6 LEU CB A 6 LEU CG A 6 LEU CD1 1.0 -330.0 -30.0 CHI2 138 138 A 6 LEU CA A 6 LEU CB A 6 LEU CG A 6 LEU CD1 1.0 -210.0 90.0 CHI2 139 139 A 7 LYS N A 7 LYS CA A 7 LYS CB A 7 LYS CG 1.0 -90.0 210.0 CHI1 140 140 A 7 LYS N A 7 LYS CA A 7 LYS CB A 7 LYS CG 1.0 -330.0 -30.0 CHI1 141 141 A 7 LYS N A 7 LYS CA A 7 LYS CB A 7 LYS CG 1.0 -210.0 90.0 CHI1 142 142 A 7 LYS CA A 7 LYS CB A 7 LYS CG A 7 LYS CD 1.0 -90.0 210.0 CHI2 143 143 A 7 LYS CA A 7 LYS CB A 7 LYS CG A 7 LYS CD 1.0 -330.0 -30.0 CHI2 144 144 A 7 LYS CA A 7 LYS CB A 7 LYS CG A 7 LYS CD 1.0 -210.0 90.0 CHI2 145 145 A 7 LYS CB A 7 LYS CG A 7 LYS CD A 7 LYS CE 1.0 -90.0 210.0 CHI3 146 146 A 7 LYS CB A 7 LYS CG A 7 LYS CD A 7 LYS CE 1.0 -330.0 -30.0 CHI3 147 147 A 7 LYS CB A 7 LYS CG A 7 LYS CD A 7 LYS CE 1.0 -210.0 90.0 CHI3 148 148 A 7 LYS CG A 7 LYS CD A 7 LYS CE A 7 LYS NZ 1.0 -90.0 210.0 CHI4 149 149 A 7 LYS CG A 7 LYS CD A 7 LYS CE A 7 LYS NZ 1.0 -330.0 -30.0 CHI4 150 150 A 7 LYS CG A 7 LYS CD A 7 LYS CE A 7 LYS NZ 1.0 -210.0 90.0 CHI4 151 151 A 8 VAL N A 8 VAL CA A 8 VAL CB A 8 VAL CG1 1.0 -90.0 210.0 CHI1 152 152 A 8 VAL N A 8 VAL CA A 8 VAL CB A 8 VAL CG1 1.0 -330.0 -30.0 CHI1 153 153 A 8 VAL N A 8 VAL CA A 8 VAL CB A 8 VAL CG1 1.0 -210.0 90.0 CHI1 154 154 A 9 LEU N A 9 LEU CA A 9 LEU CB A 9 LEU CG 1.0 -90.0 210.0 CHI1 155 155 A 9 LEU N A 9 LEU CA A 9 LEU CB A 9 LEU CG 1.0 -330.0 -30.0 CHI1 156 156 A 9 LEU N A 9 LEU CA A 9 LEU CB A 9 LEU CG 1.0 -210.0 90.0 CHI1 157 157 A 9 LEU CA A 9 LEU CB A 9 LEU CG A 9 LEU CD1 1.0 -90.0 210.0 CHI2 158 158 A 9 LEU CA A 9 LEU CB A 9 LEU CG A 9 LEU CD1 1.0 -330.0 -30.0 CHI2 159 159 A 9 LEU CA A 9 LEU CB A 9 LEU CG A 9 LEU CD1 1.0 -210.0 90.0 CHI2 160 160 A 10 THR N A 10 THR CA A 10 THR CB A 10 THR OG1 1.0 -90.0 210.0 CHI1 161 161 A 10 THR N A 10 THR CA A 10 THR CB A 10 THR OG1 1.0 -330.0 -30.0 CHI1 162 162 A 10 THR N A 10 THR CA A 10 THR CB A 10 THR OG1 1.0 -210.0 90.0 CHI1 163 163 A 11 THR N A 11 THR CA A 11 THR CB A 11 THR OG1 1.0 -90.0 210.0 CHI1 164 164 A 11 THR N A 11 THR CA A 11 THR CB A 11 THR OG1 1.0 -330.0 -30.0 CHI1 165 165 A 11 THR N A 11 THR CA A 11 THR CB A 11 THR OG1 1.0 -210.0 90.0 CHI1 166 166 A 13 LEU N A 13 LEU CA A 13 LEU CB A 13 LEU CG 1.0 -90.0 210.0 CHI1 167 167 A 13 LEU N A 13 LEU CA A 13 LEU CB A 13 LEU CG 1.0 -330.0 -30.0 CHI1 168 168 A 13 LEU N A 13 LEU CA A 13 LEU CB A 13 LEU CG 1.0 -210.0 90.0 CHI1 169 169 A 13 LEU CA A 13 LEU CB A 13 LEU CG A 13 LEU CD1 1.0 -90.0 210.0 CHI2 170 170 A 13 LEU CA A 13 LEU CB A 13 LEU CG A 13 LEU CD1 1.0 -330.0 -30.0 CHI2 171 171 A 13 LEU CA A 13 LEU CB A 13 LEU CG A 13 LEU CD1 1.0 -210.0 90.0 CHI2 172 172 A 16 LEU N A 16 LEU CA A 16 LEU CB A 16 LEU CG 1.0 -90.0 210.0 CHI1 173 173 A 16 LEU N A 16 LEU CA A 16 LEU CB A 16 LEU CG 1.0 -330.0 -30.0 CHI1 174 174 A 16 LEU N A 16 LEU CA A 16 LEU CB A 16 LEU CG 1.0 -210.0 90.0 CHI1 175 175 A 16 LEU CA A 16 LEU CB A 16 LEU CG A 16 LEU CD1 1.0 -90.0 210.0 CHI2 176 176 A 16 LEU CA A 16 LEU CB A 16 LEU CG A 16 LEU CD1 1.0 -330.0 -30.0 CHI2 177 177 A 16 LEU CA A 16 LEU CB A 16 LEU CG A 16 LEU CD1 1.0 -210.0 90.0 CHI2 178 178 A 17 ILE N A 17 ILE CA A 17 ILE CB A 17 ILE CG1 1.0 -90.0 210.0 CHI1 179 179 A 17 ILE N A 17 ILE CA A 17 ILE CB A 17 ILE CG1 1.0 -330.0 -30.0 CHI1 180 180 A 17 ILE N A 17 ILE CA A 17 ILE CB A 17 ILE CG1 1.0 -210.0 90.0 CHI1 181 181 A 17 ILE CA A 17 ILE CB A 17 ILE CG1 A 17 ILE CD1 1.0 -90.0 210.0 CHI21 182 182 A 17 ILE CA A 17 ILE CB A 17 ILE CG1 A 17 ILE CD1 1.0 -330.0 -30.0 CHI21 183 183 A 17 ILE CA A 17 ILE CB A 17 ILE CG1 A 17 ILE CD1 1.0 -210.0 90.0 CHI21 184 184 A 18 SER N A 18 SER CA A 18 SER CB A 18 SER OG 1.0 -90.0 210.0 CHI1 185 185 A 18 SER N A 18 SER CA A 18 SER CB A 18 SER OG 1.0 -330.0 -30.0 CHI1 186 186 A 18 SER N A 18 SER CA A 18 SER CB A 18 SER OG 1.0 -210.0 90.0 CHI1 187 187 A 19 TRP N A 19 TRP CA A 19 TRP CB A 19 TRP CG 1.0 -90.0 210.0 CHI1 188 188 A 19 TRP N A 19 TRP CA A 19 TRP CB A 19 TRP CG 1.0 -330.0 -30.0 CHI1 189 189 A 19 TRP N A 19 TRP CA A 19 TRP CB A 19 TRP CG 1.0 -210.0 90.0 CHI1 190 190 A 20 ILE N A 20 ILE CA A 20 ILE CB A 20 ILE CG1 1.0 -90.0 210.0 CHI1 191 191 A 20 ILE N A 20 ILE CA A 20 ILE CB A 20 ILE CG1 1.0 -330.0 -30.0 CHI1 192 192 A 20 ILE N A 20 ILE CA A 20 ILE CB A 20 ILE CG1 1.0 -210.0 90.0 CHI1 193 193 A 20 ILE CA A 20 ILE CB A 20 ILE CG1 A 20 ILE CD1 1.0 -90.0 210.0 CHI21 194 194 A 20 ILE CA A 20 ILE CB A 20 ILE CG1 A 20 ILE CD1 1.0 -330.0 -30.0 CHI21 195 195 A 20 ILE CA A 20 ILE CB A 20 ILE CG1 A 20 ILE CD1 1.0 -210.0 90.0 CHI21 196 196 A 21 LYS N A 21 LYS CA A 21 LYS CB A 21 LYS CG 1.0 -90.0 210.0 CHI1 197 197 A 21 LYS N A 21 LYS CA A 21 LYS CB A 21 LYS CG 1.0 -330.0 -30.0 CHI1 198 198 A 21 LYS N A 21 LYS CA A 21 LYS CB A 21 LYS CG 1.0 -210.0 90.0 CHI1 199 199 A 21 LYS CA A 21 LYS CB A 21 LYS CG A 21 LYS CD 1.0 -90.0 210.0 CHI2 200 200 A 21 LYS CA A 21 LYS CB A 21 LYS CG A 21 LYS CD 1.0 -330.0 -30.0 CHI2 201 201 A 21 LYS CA A 21 LYS CB A 21 LYS CG A 21 LYS CD 1.0 -210.0 90.0 CHI2 202 202 A 21 LYS CB A 21 LYS CG A 21 LYS CD A 21 LYS CE 1.0 -90.0 210.0 CHI3 203 203 A 21 LYS CB A 21 LYS CG A 21 LYS CD A 21 LYS CE 1.0 -330.0 -30.0 CHI3 204 204 A 21 LYS CB A 21 LYS CG A 21 LYS CD A 21 LYS CE 1.0 -210.0 90.0 CHI3 205 205 A 21 LYS CG A 21 LYS CD A 21 LYS CE A 21 LYS NZ 1.0 -90.0 210.0 CHI4 206 206 A 21 LYS CG A 21 LYS CD A 21 LYS CE A 21 LYS NZ 1.0 -330.0 -30.0 CHI4 207 207 A 21 LYS CG A 21 LYS CD A 21 LYS CE A 21 LYS NZ 1.0 -210.0 90.0 CHI4 208 208 A 22 ARG N A 22 ARG CA A 22 ARG CB A 22 ARG CG 1.0 -90.0 210.0 CHI1 209 209 A 22 ARG N A 22 ARG CA A 22 ARG CB A 22 ARG CG 1.0 -330.0 -30.0 CHI1 210 210 A 22 ARG N A 22 ARG CA A 22 ARG CB A 22 ARG CG 1.0 -210.0 90.0 CHI1 211 211 A 22 ARG CA A 22 ARG CB A 22 ARG CG A 22 ARG CD 1.0 -90.0 210.0 CHI2 212 212 A 22 ARG CA A 22 ARG CB A 22 ARG CG A 22 ARG CD 1.0 -330.0 -30.0 CHI2 213 213 A 22 ARG CA A 22 ARG CB A 22 ARG CG A 22 ARG CD 1.0 -210.0 90.0 CHI2 214 214 A 22 ARG CB A 22 ARG CG A 22 ARG CD A 22 ARG NE 1.0 -90.0 210.0 CHI3 215 215 A 22 ARG CB A 22 ARG CG A 22 ARG CD A 22 ARG NE 1.0 -330.0 -30.0 CHI3 216 216 A 22 ARG CB A 22 ARG CG A 22 ARG CD A 22 ARG NE 1.0 -210.0 90.0 CHI3 217 217 A 23 LYS N A 23 LYS CA A 23 LYS CB A 23 LYS CG 1.0 -90.0 210.0 CHI1 218 218 A 23 LYS N A 23 LYS CA A 23 LYS CB A 23 LYS CG 1.0 -330.0 -30.0 CHI1 219 219 A 23 LYS N A 23 LYS CA A 23 LYS CB A 23 LYS CG 1.0 -210.0 90.0 CHI1 220 220 A 23 LYS CA A 23 LYS CB A 23 LYS CG A 23 LYS CD 1.0 -90.0 210.0 CHI2 221 221 A 23 LYS CA A 23 LYS CB A 23 LYS CG A 23 LYS CD 1.0 -330.0 -30.0 CHI2 222 222 A 23 LYS CA A 23 LYS CB A 23 LYS CG A 23 LYS CD 1.0 -210.0 90.0 CHI2 223 223 A 23 LYS CB A 23 LYS CG A 23 LYS CD A 23 LYS CE 1.0 -90.0 210.0 CHI3 224 224 A 23 LYS CB A 23 LYS CG A 23 LYS CD A 23 LYS CE 1.0 -330.0 -30.0 CHI3 225 225 A 23 LYS CB A 23 LYS CG A 23 LYS CD A 23 LYS CE 1.0 -210.0 90.0 CHI3 226 226 A 23 LYS CG A 23 LYS CD A 23 LYS CE A 23 LYS NZ 1.0 -90.0 210.0 CHI4 227 227 A 23 LYS CG A 23 LYS CD A 23 LYS CE A 23 LYS NZ 1.0 -330.0 -30.0 CHI4 228 228 A 23 LYS CG A 23 LYS CD A 23 LYS CE A 23 LYS NZ 1.0 -210.0 90.0 CHI4 229 229 A 24 ARG N A 24 ARG CA A 24 ARG CB A 24 ARG CG 1.0 -90.0 210.0 CHI1 230 230 A 24 ARG N A 24 ARG CA A 24 ARG CB A 24 ARG CG 1.0 -330.0 -30.0 CHI1 231 231 A 24 ARG N A 24 ARG CA A 24 ARG CB A 24 ARG CG 1.0 -210.0 90.0 CHI1 232 232 A 24 ARG CA A 24 ARG CB A 24 ARG CG A 24 ARG CD 1.0 -90.0 210.0 CHI2 233 233 A 24 ARG CA A 24 ARG CB A 24 ARG CG A 24 ARG CD 1.0 -330.0 -30.0 CHI2 234 234 A 24 ARG CA A 24 ARG CB A 24 ARG CG A 24 ARG CD 1.0 -210.0 90.0 CHI2 235 235 A 24 ARG CB A 24 ARG CG A 24 ARG CD A 24 ARG NE 1.0 -90.0 210.0 CHI3 236 236 A 24 ARG CB A 24 ARG CG A 24 ARG CD A 24 ARG NE 1.0 -330.0 -30.0 CHI3 237 237 A 24 ARG CB A 24 ARG CG A 24 ARG CD A 24 ARG NE 1.0 -210.0 90.0 CHI3 238 238 A 25 GLN N A 25 GLN CA A 25 GLN CB A 25 GLN CG 1.0 -90.0 210.0 CHI1 239 239 A 25 GLN N A 25 GLN CA A 25 GLN CB A 25 GLN CG 1.0 -330.0 -30.0 CHI1 240 240 A 25 GLN N A 25 GLN CA A 25 GLN CB A 25 GLN CG 1.0 -210.0 90.0 CHI1 241 241 A 25 GLN CA A 25 GLN CB A 25 GLN CG A 25 GLN CD 1.0 -90.0 210.0 CHI2 242 242 A 25 GLN CA A 25 GLN CB A 25 GLN CG A 25 GLN CD 1.0 -330.0 -30.0 CHI2 243 243 A 25 GLN CA A 25 GLN CB A 25 GLN CG A 25 GLN CD 1.0 -210.0 90.0 CHI2 244 244 A 26 GLN N A 26 GLN CA A 26 GLN CB A 26 GLN CG 1.0 -90.0 210.0 CHI1 245 245 A 26 GLN N A 26 GLN CA A 26 GLN CB A 26 GLN CG 1.0 -330.0 -30.0 CHI1 246 246 A 26 GLN N A 26 GLN CA A 26 GLN CB A 26 GLN CG 1.0 -210.0 90.0 CHI1 247 247 A 26 GLN CA A 26 GLN CB A 26 GLN CG A 26 GLN CD 1.0 -90.0 210.0 CHI2 248 248 A 26 GLN CA A 26 GLN CB A 26 GLN CG A 26 GLN CD 1.0 -330.0 -30.0 CHI2 249 249 A 26 GLN CA A 26 GLN CB A 26 GLN CG A 26 GLN CD 1.0 -210.0 90.0 CHI2 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 13.9518 . . . . 2 ppm . . 74.9999 . . . . 3 ppm . . 14.0000 . . . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 11.9855 . . . . 2 ppm . . 32.0000 . folded . . 3 ppm . . 12.0000 . . . . stop_ save_