data_nef_c25270_2mvj save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 25268 PDB 2MVJ 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 MET start . . 2 A 2 LYS middle . . 3 A 3 PHE middle . . 4 A 4 TYR middle . . 5 A 5 THR middle . . 6 A 6 ILE middle . . 7 A 7 LYS middle . . 8 A 8 LEU middle . . 9 A 9 ALA middle . . 10 A 10 LYS middle . . 11 A 11 PHE middle . . 12 A 12 LEU middle . . 13 A 13 GLY middle . false 14 A 14 GLY middle . false 15 A 15 ILE middle . . 16 A 16 VAL middle . . 17 A 17 ARG middle . . 18 A 18 ALA middle . . 19 A 19 MET middle . . 20 A 20 LEU middle . . 21 A 21 GLY middle . false 22 A 22 SER middle . . 23 A 23 PHE middle . . 24 A 24 ARG middle . . 25 A 25 LYS middle . . 26 A 26 ASP end . . stop_ save_ save_assigned_chem_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.147 . A 1 MET HB3 H 1 2.154 . A 1 MET HE% H 1 2.120 . A 1 MET HG3 H 1 2.594 . A 1 MET CA C 13 55.200 . A 1 MET CB C 13 33.900 . A 1 MET CE C 13 17.200 . A 1 MET CG C 13 31.400 . A 2 LYS HA H 1 4.426 . A 2 LYS HB3 H 1 1.700 . A 2 LYS HD3 H 1 1.738 . A 2 LYS HE3 H 1 3.052 . A 2 LYS HG2 H 1 1.501 . A 2 LYS HG3 H 1 1.427 . A 2 LYS CA C 13 56.100 . A 2 LYS CB C 13 33.300 . A 2 LYS CD C 13 28.900 . A 2 LYS CE C 13 42.000 . A 2 LYS CG C 13 25.000 . A 3 PHE H H 1 8.514 . A 3 PHE HA H 1 4.541 . A 3 PHE HB3 H 1 3.160 . A 3 PHE HD1 H 1 7.242 . A 3 PHE HD2 H 1 7.242 . A 3 PHE CA C 13 59.200 . A 3 PHE CB C 13 39.500 . A 3 PHE CD1 C 13 132.100 . A 3 PHE CD2 C 13 132.100 . A 3 PHE N N 15 120.310 . A 4 TYR H H 1 7.919 . A 4 TYR HA H 1 4.463 . A 4 TYR HB3 H 1 3.064 . A 4 TYR HD1 H 1 7.103 . A 4 TYR HD2 H 1 7.103 . A 4 TYR HE1 H 1 6.906 . A 4 TYR HE2 H 1 6.906 . A 4 TYR CA C 13 59.000 . A 4 TYR CB C 13 38.000 . A 4 TYR CD1 C 13 133.000 . A 4 TYR CD2 C 13 133.000 . A 4 TYR CE1 C 13 118.400 . A 4 TYR CE2 C 13 118.400 . A 4 TYR N N 15 118.370 . A 5 THR H H 1 7.791 . A 5 THR HA H 1 4.097 . A 5 THR HB H 1 4.326 . A 5 THR HG2% H 1 1.284 . A 5 THR CA C 13 64.420 . A 5 THR CB C 13 69.000 . A 5 THR CG2 C 13 22.600 . A 5 THR N N 15 115.210 . A 6 ILE H H 1 8.075 . A 6 ILE HA H 1 3.941 . A 6 ILE HB H 1 2.044 . A 6 ILE HD1% H 1 0.960 . A 6 ILE HG12 H 1 1.310 . A 6 ILE HG13 H 1 1.688 . A 6 ILE HG2% H 1 1.106 . A 6 ILE CA C 13 63.700 . A 6 ILE CB C 13 37.800 . A 6 ILE CD1 C 13 13.100 . A 6 ILE CG1 C 13 28.800 . A 6 ILE CG2 C 13 17.700 . A 6 ILE N N 15 121.450 . A 7 LYS H H 1 7.960 . A 7 LYS HA H 1 4.137 . A 7 LYS HB2 H 1 1.895 . A 7 LYS HB3 H 1 1.960 . A 7 LYS HD3 H 1 1.761 . A 7 LYS HE3 H 1 3.032 . A 7 LYS HG2 H 1 1.491 . A 7 LYS HG3 H 1 1.597 . A 7 LYS CA C 13 59.000 . A 7 LYS CB C 13 32.500 . A 7 LYS CD C 13 29.300 . A 7 LYS CE C 13 41.900 . A 7 LYS CG C 13 25.500 . A 7 LYS N N 15 120.790 . A 8 LEU H H 1 8.230 . A 8 LEU HA H 1 4.260 . A 8 LEU HB2 H 1 1.868 . A 8 LEU HB3 H 1 1.930 . A 8 LEU HD1% H 1 1.026 . A 8 LEU HD2% H 1 1.082 . A 8 LEU HG H 1 1.842 . A 8 LEU CA C 13 58.000 . A 8 LEU CB C 13 41.900 . A 8 LEU CD1 C 13 25.200 . A 8 LEU CD2 C 13 24.500 . A 8 LEU CG C 13 27.400 . A 8 LEU N N 15 120.300 . A 9 ALA H H 1 8.453 . A 9 ALA HA H 1 4.055 . A 9 ALA HB% H 1 1.610 . A 9 ALA CA C 13 55.900 . A 9 ALA CB C 13 18.200 . A 9 ALA N N 15 121.240 . A 10 LYS H H 1 8.250 . A 10 LYS HA H 1 4.122 . A 10 LYS HB2 H 1 1.761 . A 10 LYS HB3 H 1 2.032 . A 10 LYS HD3 H 1 1.766 . A 10 LYS HE3 H 1 3.029 . A 10 LYS HG2 H 1 1.730 . A 10 LYS HG3 H 1 1.517 . A 10 LYS CA C 13 59.600 . A 10 LYS CB C 13 32.300 . A 10 LYS CD C 13 29.400 . A 10 LYS CE C 13 41.900 . A 10 LYS CG C 13 25.800 . A 10 LYS N N 15 117.500 . A 11 PHE H H 1 8.190 . A 11 PHE HA H 1 4.521 . A 11 PHE HB2 H 1 3.358 . A 11 PHE HB3 H 1 3.427 . A 11 PHE HD1 H 1 7.311 . A 11 PHE HD2 H 1 7.311 . A 11 PHE CA C 13 60.600 . A 11 PHE CB C 13 39.500 . A 11 PHE CD1 C 13 132.000 . A 11 PHE CD2 C 13 132.000 . A 11 PHE N N 15 121.010 . A 12 LEU H H 1 8.697 . A 12 LEU HA H 1 3.994 . A 12 LEU HB2 H 1 1.538 . A 12 LEU HB3 H 1 2.011 . A 12 LEU HD1% H 1 0.985 . A 12 LEU HD2% H 1 0.961 . A 12 LEU HG H 1 2.088 . A 12 LEU CA C 13 57.700 . A 12 LEU CB C 13 41.700 . A 12 LEU CD1 C 13 25.500 . A 12 LEU CD2 C 13 23.300 . A 12 LEU CG C 13 27.100 . A 12 LEU N N 15 118.470 . A 13 GLY H H 1 8.686 . A 13 GLY HA2 H 1 3.727 . A 13 GLY HA3 H 1 3.988 . A 13 GLY CA C 13 47.600 . A 13 GLY N N 15 106.150 . A 14 GLY H H 1 8.050 . A 14 GLY HA3 H 1 3.991 . A 14 GLY CA C 13 47.100 . A 14 GLY N N 15 108.600 . A 15 ILE H H 1 7.764 . A 15 ILE HA H 1 3.813 . A 15 ILE HB H 1 2.044 . A 15 ILE HD1% H 1 0.658 . A 15 ILE HG12 H 1 1.029 . A 15 ILE HG13 H 1 1.517 . A 15 ILE HG2% H 1 0.897 . A 15 ILE CA C 13 64.500 . A 15 ILE CB C 13 37.400 . A 15 ILE CD1 C 13 12.900 . A 15 ILE CG1 C 13 28.400 . A 15 ILE CG2 C 13 17.500 . A 15 ILE N N 15 122.400 . A 16 VAL H H 1 8.133 . A 16 VAL HA H 1 3.625 . A 16 VAL HB H 1 2.288 . A 16 VAL HG1% H 1 1.003 . A 16 VAL HG2% H 1 1.102 . A 16 VAL CA C 13 67.300 . A 16 VAL CB C 13 31.300 . A 16 VAL CG1 C 13 21.900 . A 16 VAL CG2 C 13 23.300 . A 16 VAL N N 15 119.610 . A 17 ARG H H 1 8.324 . A 17 ARG HA H 1 3.982 . A 17 ARG HB2 H 1 1.900 . A 17 ARG HB3 H 1 2.009 . A 17 ARG HD3 H 1 3.288 . A 17 ARG HG2 H 1 1.895 . A 17 ARG HG3 H 1 1.683 . A 17 ARG CA C 13 60.100 . A 17 ARG CB C 13 30.100 . A 17 ARG CD C 13 43.400 . A 17 ARG CG C 13 28.200 . A 17 ARG N N 15 118.380 . A 18 ALA H H 1 7.914 . A 18 ALA HA H 1 4.256 . A 18 ALA HB% H 1 1.577 . A 18 ALA CA C 13 54.700 . A 18 ALA CB C 13 18.100 . A 18 ALA N N 15 121.190 . A 19 MET H H 1 8.239 . A 19 MET HA H 1 4.221 . A 19 MET HB2 H 1 2.186 . A 19 MET HB3 H 1 2.327 . A 19 MET HE% H 1 2.067 . A 19 MET HG2 H 1 2.571 . A 19 MET HG3 H 1 2.848 . A 19 MET CA C 13 58.700 . A 19 MET CB C 13 33.500 . A 19 MET CE C 13 17.300 . A 19 MET CG C 13 32.800 . A 19 MET N N 15 117.090 . A 20 LEU H H 1 8.238 . A 20 LEU HA H 1 4.296 . A 20 LEU HB2 H 1 1.709 . A 20 LEU HB3 H 1 1.937 . A 20 LEU HD1% H 1 0.958 . A 20 LEU HD2% H 1 0.944 . A 20 LEU HG H 1 1.978 . A 20 LEU CA C 13 56.900 . A 20 LEU CB C 13 41.800 . A 20 LEU CD1 C 13 25.800 . A 20 LEU CD2 C 13 23.300 . A 20 LEU CG C 13 27.100 . A 20 LEU N N 15 117.790 . A 21 GLY H H 1 8.036 . A 21 GLY HA3 H 1 4.045 . A 21 GLY CA C 13 46.300 . A 21 GLY N N 15 105.850 . A 22 SER H H 1 7.868 . A 22 SER HA H 1 4.447 . A 22 SER HB3 H 1 3.846 . A 22 SER CA C 13 59.700 . A 22 SER CB C 13 63.700 . A 22 SER N N 15 115.100 . A 23 PHE H H 1 7.855 . A 23 PHE HA H 1 4.656 . A 23 PHE HB2 H 1 3.121 . A 23 PHE HB3 H 1 3.329 . A 23 PHE HD1 H 1 7.414 . A 23 PHE HD2 H 1 7.414 . A 23 PHE CA C 13 58.100 . A 23 PHE CB C 13 39.500 . A 23 PHE CD1 C 13 132.100 . A 23 PHE CD2 C 13 132.100 . A 23 PHE N N 15 119.750 . A 24 ARG H H 1 7.903 . A 24 ARG HA H 1 4.430 . A 24 ARG HB2 H 1 1.859 . A 24 ARG HB3 H 1 1.973 . A 24 ARG HD3 H 1 3.279 . A 24 ARG HG2 H 1 1.661 . A 24 ARG HG3 H 1 1.713 . A 24 ARG CA C 13 56.100 . A 24 ARG CB C 13 31.200 . A 24 ARG CD C 13 43.500 . A 24 ARG CG C 13 27.200 . A 24 ARG N N 15 120.690 . A 25 LYS H H 1 8.368 . A 25 LYS HA H 1 4.446 . A 25 LYS HB2 H 1 1.833 . A 25 LYS HB3 H 1 1.951 . A 25 LYS HD3 H 1 1.793 . A 25 LYS HE3 H 1 3.089 . A 25 LYS HG3 H 1 1.535 . A 25 LYS CA C 13 56.100 . A 25 LYS CB C 13 33.300 . A 25 LYS CD C 13 29.000 . A 25 LYS CE C 13 42.000 . A 25 LYS CG C 13 24.600 . A 25 LYS N N 15 123.030 . A 26 ASP H H 1 8.003 . A 26 ASP HA H 1 4.453 . A 26 ASP HB2 H 1 2.636 . A 26 ASP HB3 H 1 2.731 . A 26 ASP CA C 13 55.700 . A 26 ASP CB C 13 42.300 . A 26 ASP N N 15 126.740 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type . 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 21 GLY H A 22 SER H 1.0 1.8 3.04 2 2 A 21 GLY H A 20 LEU HD1% 1.0 1.8 6.00 3 3 A 21 GLY H A 20 LEU HD2% 1.0 1.8 6.00 4 4 A 21 GLY H A 18 ALA HB% 1.0 1.8 5.00 5 5 A 21 GLY H A 20 LEU HB2 1.0 1.8 4.06 6 6 A 21 GLY H A 20 LEU HB3 1.0 1.8 3.38 7 7 A 21 GLY H A 19 MET HB2 1.0 1.8 5.61 8 8 A 21 GLY H A 19 MET HB3 1.0 1.8 4.91 9 9 A 21 GLY H A 21 GLY HAx 1.0 1.8 2.60 10 9 A 21 GLY H A 21 GLY HA3 1.0 1.8 2.60 11 10 A 21 GLY H A 22 SER HA 1.0 1.8 5.51 12 11 A 13 GLY H A 15 ILE H 1.0 1.8 4.86 13 12 A 13 GLY H A 12 LEU HB3 1.0 1.8 4.26 14 13 A 13 GLY H A 12 LEU HB2 1.0 1.8 4.26 15 14 A 13 GLY H A 12 LEU HG 1.0 1.8 5.92 16 15 A 13 GLY H A 10 LYS HA 1.0 1.8 4.40 17 16 A 13 GLY H A 16 VAL HG1% 1.0 1.8 4.45 18 17 A 13 GLY H A 14 GLY H 1.0 1.8 3.46 19 18 A 14 GLY H A 11 PHE HA 1.0 1.8 4.62 20 19 A 14 GLY H A 15 ILE HA 1.0 1.8 4.88 21 20 A 14 GLY H A 15 ILE HG12 1.0 1.8 4.82 22 20 A 14 GLY H A 15 ILE HG13 1.0 1.8 4.82 23 21 A 14 GLY H A 15 ILE HG12 1.0 1.8 5.82 24 21 A 14 GLY H A 15 ILE HG13 1.0 1.8 5.82 25 22 A 4 TYR HD% A 5 THR H 1.0 1.8 4.70 26 23 A 5 THR H A 4 TYR H 1.0 1.8 3.29 27 24 A 5 THR H A 6 ILE HG2% 1.0 1.8 6.00 28 25 A 5 THR H A 5 THR HG2% 1.0 1.8 3.97 29 26 A 5 THR H A 8 LEU HB2 1.0 1.8 5.49 30 27 A 5 THR H A 4 TYR HBx 1.0 1.8 3.82 31 27 A 5 THR H A 4 TYR HB3 1.0 1.8 3.82 32 28 A 5 THR H A 5 THR HB 1.0 1.8 3.36 33 29 A 22 SER H A 20 LEU HA 1.0 1.8 4.14 34 30 A 22 SER H A 19 MET HA 1.0 1.8 3.83 35 31 A 22 SER H A 22 SER HBx 1.0 1.8 2.93 36 31 A 22 SER H A 22 SER HB3 1.0 1.8 2.93 37 32 A 22 SER H A 20 LEU HB2 1.0 1.8 5.43 38 33 A 22 SER H A 20 LEU HB3 1.0 1.8 4.99 39 34 A 18 ALA H A 19 MET H 1.0 1.8 3.22 40 35 A 19 MET H A 17 ARG HA 1.0 1.8 4.36 41 36 A 19 MET H A 16 VAL HA 1.0 1.8 3.85 42 37 A 19 MET H A 19 MET HG3 1.0 1.8 3.34 43 38 A 19 MET H A 19 MET HG2 1.0 1.8 3.84 44 39 A 19 MET HB3 A 19 MET H 1.0 1.8 3.13 45 40 A 19 MET HB2 A 19 MET H 1.0 1.8 3.71 46 41 A 16 VAL HG1% A 19 MET H 1.0 1.8 6.00 47 42 A 18 ALA HB% A 19 MET H 1.0 1.8 3.48 48 43 A 10 LYS H A 10 LYS HB3 1.0 1.8 3.71 49 44 A 10 LYS H A 9 ALA H 1.0 1.8 3.48 50 45 A 21 GLY H A 19 MET H 1.0 1.8 4.12 51 46 A 10 LYS H A 11 PHE HB3 1.0 1.8 4.96 52 47 A 10 LYS H A 11 PHE HB2 1.0 1.8 5.37 53 48 A 21 GLY H A 20 LEU H 1.0 1.8 3.03 54 49 A 22 SER H A 20 LEU H 1.0 1.8 4.04 55 50 A 19 MET HA A 20 LEU H 1.0 1.8 3.57 56 51 A 17 ARG HA A 20 LEU H 1.0 1.8 4.08 57 52 A 16 VAL HA A 20 LEU H 1.0 1.8 4.75 58 53 A 19 MET HG2 A 20 LEU H 1.0 1.8 4.79 59 54 A 19 MET HB3 A 20 LEU H 1.0 1.8 2.87 60 55 A 19 MET HB2 A 20 LEU H 1.0 1.8 3.50 61 56 A 16 VAL HG1% A 20 LEU H 1.0 1.8 6.00 62 57 A 20 LEU H A 16 VAL HG2% 1.0 1.8 4.60 63 58 A 4 TYR HD% A 4 TYR H 1.0 1.8 3.43 64 59 A 16 VAL H A 17 ARG H 1.0 1.8 3.34 65 60 A 15 ILE H A 17 ARG H 1.0 1.8 4.97 66 61 A 11 PHE HD% A 12 LEU H 1.0 1.8 4.56 67 62 A 12 LEU H A 8 LEU HA 1.0 1.8 5.37 68 63 A 11 PHE HB3 A 12 LEU H 1.0 1.8 3.88 69 64 A 12 LEU HG A 12 LEU H 1.0 1.8 4.23 70 65 A 12 LEU H A 12 LEU HB3 1.0 1.8 3.71 71 66 A 17 ARG H A 16 VAL HB 1.0 1.8 4.06 72 67 A 17 ARG H A 17 ARG HB3 1.0 1.8 2.81 73 68 A 17 ARG H A 17 ARG HB2 1.0 1.8 3.96 74 69 A 17 ARG H A 17 ARG HG3 1.0 1.8 4.42 75 70 A 17 ARG H A 17 ARG HG2 1.0 1.8 4.42 76 71 A 18 ALA HB% A 17 ARG H 1.0 1.8 5.17 77 72 A 16 VAL HG1% A 17 ARG H 1.0 1.8 3.91 78 73 A 16 VAL HG2% A 17 ARG H 1.0 1.8 3.77 79 74 A 4 TYR H A 3 PHE HBx 1.0 1.8 3.55 80 74 A 4 TYR H A 3 PHE HB3 1.0 1.8 3.55 81 75 A 4 TYR H A 4 TYR HBx 1.0 1.8 3.04 82 75 A 4 TYR H A 4 TYR HB3 1.0 1.8 3.04 83 76 A 10 LYS HA A 12 LEU H 1.0 1.8 5.07 84 77 A 12 LEU H A 13 GLY HA3 1.0 1.8 5.70 85 78 A 17 ARG H A 18 ALA HA 1.0 1.8 5.36 86 79 A 15 ILE HA A 17 ARG H 1.0 1.8 4.67 87 80 A 17 ARG H A 17 ARG HDx 1.0 1.8 4.72 88 80 A 17 ARG H A 17 ARG HD3 1.0 1.8 4.72 89 81 A 12 LEU H A 15 ILE HD1% 1.0 1.8 6.00 90 82 A 12 LEU H A 12 LEU HB2 1.0 1.8 3.71 91 83 A 16 VAL H A 15 ILE HD1% 1.0 1.8 5.10 92 84 A 16 VAL H A 15 ILE HG2% 1.0 1.8 3.72 93 85 A 16 VAL HG2% A 16 VAL H 1.0 1.8 3.79 94 86 A 16 VAL HG1% A 16 VAL H 1.0 1.8 3.04 95 87 A 16 VAL H A 15 ILE HG12 1.0 1.8 5.58 96 87 A 15 ILE HG13 A 16 VAL H 1.0 1.8 5.58 97 88 A 16 VAL H A 16 VAL HB 1.0 1.8 3.10 98 89 A 16 VAL H A 13 GLY HA3 1.0 1.8 4.56 99 90 A 16 VAL H A 12 LEU HA 1.0 1.8 3.65 100 91 A 22 SER HA A 23 PHE H 1.0 1.8 3.56 101 92 A 20 LEU HA A 23 PHE H 1.0 1.8 4.29 102 93 A 19 MET HA A 23 PHE H 1.0 1.8 5.42 103 94 A 23 PHE H A 21 GLY HAx 1.0 1.8 4.31 104 94 A 21 GLY HA3 A 23 PHE H 1.0 1.8 4.31 105 95 A 23 PHE H A 22 SER HBx 1.0 1.8 3.53 106 95 A 22 SER HB3 A 23 PHE H 1.0 1.8 3.53 107 96 A 23 PHE H A 23 PHE HB2 1.0 1.8 3.53 108 97 A 23 PHE H A 23 PHE HB3 1.0 1.8 3.53 109 98 A 20 LEU HB2 A 23 PHE H 1.0 1.8 5.86 110 99 A 3 PHE H A 3 PHE HD% 1.0 1.8 4.53 111 100 A 4 TYR H A 3 PHE H 1.0 1.8 4.23 112 101 A 4 TYR HD% A 3 PHE H 1.0 1.8 5.87 113 102 A 6 ILE H A 8 LEU H 1.0 1.8 4.25 114 103 A 3 PHE H A 3 PHE HBx 1.0 1.8 3.38 115 103 A 3 PHE HB3 A 3 PHE H 1.0 1.8 3.38 116 104 A 8 LEU HB2 A 8 LEU H 1.0 1.8 2.84 117 105 A 8 LEU H A 8 LEU HB3 1.0 1.8 3.13 118 106 A 8 LEU H A 7 LYS HG3 1.0 1.8 4.21 119 107 A 8 LEU H A 9 ALA HB% 1.0 1.8 4.63 120 108 A 8 LEU H A 8 LEU HD2% 1.0 1.8 4.48 121 109 A 8 LEU H A 8 LEU HD1% 1.0 1.8 4.48 122 110 A 11 PHE HB2 A 8 LEU H 1.0 1.8 5.51 123 111 A 5 THR HG2% A 8 LEU H 1.0 1.8 5.43 124 112 A 11 PHE HB3 A 8 LEU H 1.0 1.8 5.47 125 113 A 8 LEU H A 9 ALA HA 1.0 1.8 4.84 126 114 A 24 ARG H A 21 GLY HAx 1.0 1.8 6.00 127 114 A 21 GLY HA3 A 24 ARG H 1.0 1.8 6.00 128 115 A 24 ARG H A 24 ARG HDx 1.0 1.8 4.51 129 115 A 24 ARG H A 24 ARG HD3 1.0 1.8 4.51 130 116 A 24 ARG H A 23 PHE HB3 1.0 1.8 4.03 131 117 A 6 ILE HG2% A 7 LYS H 1.0 1.8 4.07 132 118 A 7 LYS H A 7 LYS HG2 1.0 1.8 4.87 133 119 A 7 LYS H A 7 LYS HB3 1.0 1.8 3.92 134 120 A 7 LYS H A 4 TYR HA 1.0 1.8 4.98 135 121 A 5 THR HB A 7 LYS H 1.0 1.8 5.38 136 122 A 12 LEU H A 11 PHE H 1.0 1.8 3.48 137 123 A 11 PHE HD% A 11 PHE H 1.0 1.8 4.24 138 124 A 18 ALA H A 17 ARG H 1.0 1.8 3.30 139 125 A 18 ALA H A 16 VAL H 1.0 1.8 4.12 140 126 A 9 ALA H A 7 LYS H 1.0 1.8 5.70 141 127 A 9 ALA H A 12 LEU H 1.0 1.8 5.32 142 128 A 9 ALA H A 7 LYS HA 1.0 1.8 4.67 143 129 A 9 ALA H A 8 LEU HB3 1.0 1.8 4.21 144 130 A 8 LEU HB2 A 9 ALA H 1.0 1.8 3.49 145 131 A 9 ALA H A 9 ALA HB% 1.0 1.8 2.90 146 132 A 6 ILE HG2% A 9 ALA H 1.0 1.8 5.28 147 133 A 9 ALA H A 12 LEU HD1% 1.0 1.8 6.00 148 134 A 9 ALA H A 12 LEU HD2% 1.0 1.8 6.00 149 135 A 8 LEU HA A 11 PHE H 1.0 1.8 3.71 150 136 A 9 ALA HA A 11 PHE H 1.0 1.8 5.70 151 137 A 12 LEU HA A 11 PHE H 1.0 1.8 5.71 152 138 A 11 PHE HB3 A 11 PHE H 1.0 1.8 2.97 153 139 A 11 PHE HB2 A 11 PHE H 1.0 1.8 3.07 154 140 A 10 LYS HB3 A 11 PHE H 1.0 1.8 3.12 155 141 A 11 PHE H A 10 LYS HG3 1.0 1.8 5.56 156 142 A 9 ALA HB% A 11 PHE H 1.0 1.8 4.70 157 143 A 18 ALA HB% A 18 ALA H 1.0 1.8 2.61 158 144 A 16 VAL HG1% A 18 ALA H 1.0 1.8 5.92 159 145 A 18 ALA H A 19 MET HG3 1.0 1.8 4.58 160 146 A 18 ALA H A 16 VAL HA 1.0 1.8 4.60 161 147 A 15 ILE HA A 18 ALA H 1.0 1.8 3.83 162 148 A 6 ILE H A 7 LYS H 1.0 1.8 3.25 163 149 A 5 THR H A 6 ILE H 1.0 1.8 3.44 164 150 A 5 THR HB A 6 ILE H 1.0 1.8 3.48 165 151 A 6 ILE H A 4 TYR HA 1.0 1.8 4.85 166 152 A 6 ILE H A 3 PHE HA 1.0 1.8 5.27 167 153 A 6 ILE H A 6 ILE HB 1.0 1.8 3.18 168 154 A 6 ILE H A 6 ILE HG12 1.0 1.8 3.32 169 154 A 6 ILE H A 6 ILE HG13 1.0 1.8 3.32 170 155 A 6 ILE H A 6 ILE HG12 1.0 1.8 4.63 171 155 A 6 ILE H A 6 ILE HG13 1.0 1.8 4.63 172 156 A 6 ILE HG2% A 6 ILE H 1.0 1.8 3.92 173 157 A 6 ILE H A 6 ILE HD1% 1.0 1.8 4.22 174 158 A 15 ILE H A 16 VAL H 1.0 1.8 3.17 175 159 A 15 ILE H A 14 GLY H 1.0 1.8 3.21 176 160 A 15 ILE H A 15 ILE HB 1.0 1.8 3.10 177 161 A 15 ILE H A 15 ILE HG12 1.0 1.8 3.38 178 161 A 15 ILE H A 15 ILE HG13 1.0 1.8 3.38 179 162 A 15 ILE H A 16 VAL HG1% 1.0 1.8 4.64 180 163 A 15 ILE H A 15 ILE HG12 1.0 1.8 3.83 181 163 A 15 ILE H A 15 ILE HG13 1.0 1.8 3.83 182 164 A 15 ILE H A 15 ILE HG2% 1.0 1.8 3.82 183 165 A 15 ILE H A 15 ILE HD1% 1.0 1.8 4.15 184 166 A 15 ILE H A 16 VAL HB 1.0 1.8 5.23 185 167 A 15 ILE H A 16 VAL HA 1.0 1.8 4.99 186 168 A 15 ILE H A 13 GLY HA3 1.0 1.8 5.53 187 169 A 24 ARG HA A 25 LYS H 1.0 1.8 3.17 188 170 A 15 ILE H A 12 LEU H 1.0 1.8 5.79 189 171 A 8 LEU H A 4 TYR HA 1.0 1.8 4.94 190 172 A 11 PHE HB2 A 12 LEU H 1.0 1.8 3.42 191 173 A 19 MET H A 22 SER HBx 1.0 1.8 4.43 192 173 A 22 SER HB3 A 19 MET H 1.0 1.8 4.43 193 174 A 17 ARG HB3 A 18 ALA HA 1.0 1.8 5.00 194 175 A 15 ILE HA A 18 ALA HA 1.0 1.8 4.56 195 176 A 20 LEU HA A 23 PHE HD% 1.0 1.8 5.76 196 177 A 12 LEU HA A 15 ILE HB 1.0 1.8 3.98 197 178 A 11 PHE HD% A 12 LEU HA 1.0 1.8 6.00 198 179 A 23 PHE HD% A 23 PHE HA 1.0 1.8 3.79 199 180 A 11 PHE HD% A 8 LEU HA 1.0 1.8 4.71 200 181 A 11 PHE HB2 A 8 LEU HA 1.0 1.8 3.62 201 182 A 3 PHE HD% A 3 PHE HA 1.0 1.8 3.85 202 183 A 4 TYR HD% A 4 TYR HA 1.0 1.8 3.91 203 184 A 4 TYR HA A 4 TYR HE% 1.0 1.8 6.00 204 185 A 3 PHE HA A 6 ILE HG12 1.0 1.8 5.90 205 185 A 3 PHE HA A 6 ILE HG13 1.0 1.8 5.90 206 186 A 4 TYR HA A 4 TYR HBx 1.0 1.8 2.82 207 186 A 4 TYR HB3 A 4 TYR HA 1.0 1.8 2.82 208 187 A 5 THR HG2% A 4 TYR HA 1.0 1.8 6.00 209 188 A 19 MET HA A 22 SER HBx 1.0 1.8 4.41 210 188 A 19 MET HA A 22 SER HB3 1.0 1.8 4.41 211 189 A 18 ALA HB% A 19 MET HA 1.0 1.8 4.41 212 190 A 10 LYS HA A 11 PHE HA 1.0 1.8 5.07 213 191 A 11 PHE HA A 11 PHE HD% 1.0 1.8 3.59 214 192 A 11 PHE HA A 10 LYS HB3 1.0 1.8 4.60 215 193 A 3 PHE HA A 6 ILE HB 1.0 1.8 4.21 216 194 A 11 PHE HA A 10 LYS HB2 1.0 1.8 6.00 217 195 A 16 VAL HA A 12 LEU HA 1.0 1.8 6.00 218 196 A 19 MET HA A 16 VAL HA 1.0 1.8 6.00 219 197 A 5 THR HB A 6 ILE HG12 1.0 1.8 4.18 220 197 A 5 THR HB A 6 ILE HG13 1.0 1.8 4.18 221 198 A 5 THR HB A 6 ILE HA 1.0 1.8 4.60 222 199 A 5 THR HB A 4 TYR HBx 1.0 1.8 6.00 223 199 A 4 TYR HB3 A 5 THR HB 1.0 1.8 6.00 224 200 A 15 ILE HA A 15 ILE HD1% 1.0 1.8 3.94 225 201 A 6 ILE HD1% A 5 THR HA 1.0 1.8 4.98 226 202 A 6 ILE HD1% A 10 LYS HEx 1.0 1.8 6.00 227 202 A 6 ILE HD1% A 10 LYS HE3 1.0 1.8 6.00 228 203 A 11 PHE HD% A 15 ILE HG2% 1.0 1.8 5.42 229 204 A 15 ILE HG2% A 12 LEU HA 1.0 1.8 4.40 230 205 A 15 ILE HG2% A 15 ILE HG12 1.0 1.8 3.26 231 205 A 15 ILE HG13 A 15 ILE HG2% 1.0 1.8 3.26 232 206 A 18 ALA HB% A 15 ILE HA 1.0 1.8 3.25 233 207 A 16 VAL HG1% A 12 LEU HB3 1.0 1.8 4.80 234 208 A 11 PHE HD% A 8 LEU HD2% 1.0 1.8 4.34 235 209 A 11 PHE HD% A 8 LEU HD1% 1.0 1.8 4.34 236 210 A 12 LEU HG A 11 PHE HD% 1.0 1.8 4.53 237 211 A 12 LEU HG A 12 LEU HA 1.0 1.8 4.04 238 212 A 9 ALA HA A 8 LEU HG 1.0 1.8 4.19 239 213 A 23 PHE HD% A 24 ARG HG3 1.0 1.8 6.00 240 214 A 23 PHE HD% A 24 ARG HG2 1.0 1.8 6.00 241 215 A 6 ILE HA A 6 ILE HG12 1.0 1.8 3.54 242 215 A 6 ILE HG13 A 6 ILE HA 1.0 1.8 3.54 243 216 A 11 PHE HD% A 15 ILE HG12 1.0 1.8 5.53 244 216 A 15 ILE HG13 A 11 PHE HD% 1.0 1.8 5.53 245 217 A 11 PHE HD% A 15 ILE HG12 1.0 1.8 5.38 246 217 A 15 ILE HG13 A 11 PHE HD% 1.0 1.8 5.38 247 218 A 15 ILE HG2% A 15 ILE HG12 1.0 1.8 3.44 248 218 A 15 ILE HG13 A 15 ILE HG2% 1.0 1.8 3.44 249 219 A 18 ALA HB% A 19 MET HG2 1.0 1.8 4.75 250 220 A 18 ALA HB% A 19 MET HG3 1.0 1.8 4.45 251 221 A 16 VAL HA A 19 MET HG3 1.0 1.8 4.64 252 222 A 19 MET HA A 19 MET HG2 1.0 1.8 3.86 253 223 A 15 ILE HA A 19 MET HG2 1.0 1.8 6.00 254 224 A 16 VAL HA A 19 MET HG2 1.0 1.8 5.10 255 225 A 19 MET HB2 A 16 VAL HA 1.0 1.8 4.89 256 226 A 6 ILE HG2% A 7 LYS HB2 1.0 1.8 5.64 257 227 A 4 TYR HE% A 2 LYS HBx 1.0 1.8 4.94 258 227 A 4 TYR HE% A 2 LYS HB3 1.0 1.8 4.94 259 228 A 8 LEU HB2 A 11 PHE HD% 1.0 1.8 6.00 260 229 A 11 PHE HD% A 8 LEU HB3 1.0 1.8 6.00 261 230 A 16 VAL HB A 13 GLY HA3 1.0 1.8 4.41 262 231 A 16 VAL HG1% A 13 GLY HA3 1.0 1.8 4.33 263 232 A 16 VAL HG2% A 13 GLY HA3 1.0 1.8 5.46 264 233 A 17 ARG HB3 A 14 GLY HAx 1.0 1.8 4.07 265 233 A 17 ARG HB3 A 14 GLY HA3 1.0 1.8 4.07 266 234 A 20 LEU HB2 A 21 GLY HAx 1.0 1.8 6.00 267 234 A 20 LEU HB2 A 21 GLY HA3 1.0 1.8 6.00 268 235 A 21 GLY HA3 A 20 LEU HD1% 1.0 1.8 6.00 269 235 A 20 LEU HD1% A 21 GLY HAx 1.0 1.8 6.00 270 236 A 21 GLY HA3 A 20 LEU HD2% 1.0 1.8 6.00 271 236 A 20 LEU HD2% A 21 GLY HAx 1.0 1.8 6.00 272 237 A 11 PHE HD% A 12 LEU HD1% 1.0 1.8 4.41 273 238 A 12 LEU HG A 11 PHE HB2 1.0 1.8 6.00 274 239 A 8 LEU HA A 8 LEU HD1% 1.0 1.8 3.93 275 240 A 11 PHE HD% A 15 ILE HD1% 1.0 1.8 4.22 276 241 A 15 ILE HD1% A 12 LEU HA 1.0 1.8 3.11 277 242 A 15 ILE HD1% A 15 ILE HB 1.0 1.8 2.86 278 243 A 15 ILE HD1% A 15 ILE HG2% 1.0 1.8 3.02 279 244 A 16 VAL HA A 15 ILE HD1% 1.0 1.8 5.59 280 245 A 11 PHE HB2 A 15 ILE HD1% 1.0 1.8 5.25 281 246 A 19 MET HG3 A 15 ILE HD1% 1.0 1.8 6.00 282 247 A 3 PHE HA A 6 ILE HD1% 1.0 1.8 3.51 283 248 A 6 ILE HD1% A 3 PHE HBx 1.0 1.8 3.89 284 248 A 3 PHE HB3 A 6 ILE HD1% 1.0 1.8 3.89 285 249 A 6 ILE HB A 6 ILE HD1% 1.0 1.8 2.82 286 250 A 5 THR HB A 6 ILE HD1% 1.0 1.8 4.68 287 251 A 6 ILE HD1% A 6 ILE HA 1.0 1.8 3.80 288 252 A 6 ILE HG2% A 3 PHE HBx 1.0 1.8 5.77 289 252 A 6 ILE HG2% A 3 PHE HB3 1.0 1.8 5.77 290 253 A 6 ILE HG2% A 7 LYS HA 1.0 1.8 3.71 291 254 A 6 ILE HG2% A 6 ILE HA 1.0 1.8 3.04 292 255 A 15 ILE HA A 15 ILE HG2% 1.0 1.8 2.77 293 256 A 16 VAL HA A 15 ILE HG2% 1.0 1.8 3.76 294 257 A 19 MET HG2 A 15 ILE HG2% 1.0 1.8 3.71 295 258 A 9 ALA HB% A 6 ILE HA 1.0 1.8 2.85 296 259 A 18 ALA HB% A 17 ARG HDx 1.0 1.8 5.80 297 259 A 18 ALA HB% A 17 ARG HD3 1.0 1.8 5.80 298 260 A 9 ALA HB% A 10 LYS HEx 1.0 1.8 4.72 299 260 A 9 ALA HB% A 10 LYS HE3 1.0 1.8 4.72 300 261 A 18 ALA HB% A 15 ILE HD1% 1.0 1.8 5.66 301 262 A 5 THR HG2% A 9 ALA HB% 1.0 1.8 5.29 302 263 A 5 THR HB A 1 MET HE% 1.0 1.8 4.29 303 264 A 1 MET HE% A 1 MET HA 1.0 1.8 4.87 304 265 A 5 THR HA A 1 MET HE% 1.0 1.8 5.77 305 266 A 5 THR HG2% A 1 MET HE% 1.0 1.8 3.82 306 267 A 16 VAL HG1% A 17 ARG HA 1.0 1.8 3.85 307 268 A 16 VAL HG1% A 16 VAL HA 1.0 1.8 3.25 308 269 A 16 VAL HG1% A 19 MET HG3 1.0 1.8 6.00 309 270 A 16 VAL HA A 20 LEU HD2% 1.0 1.8 5.82 310 271 A 5 THR HG2% A 5 THR HA 1.0 1.8 2.98 311 272 A 19 MET HG3 A 16 VAL HG2% 1.0 1.8 6.00 312 273 A 16 VAL HA A 16 VAL HG2% 1.0 1.8 2.94 313 274 A 16 VAL HG2% A 17 ARG HDx 1.0 1.8 5.47 314 274 A 16 VAL HG2% A 17 ARG HD3 1.0 1.8 5.47 315 275 A 5 THR HG2% A 1 MET HGx 1.0 1.8 5.48 316 275 A 5 THR HG2% A 1 MET HG3 1.0 1.8 5.48 317 276 A 4 TYR HD% A 5 THR HG2% 1.0 1.8 5.99 318 277 A 5 THR HG2% A 4 TYR HE% 1.0 1.8 6.00 319 278 A 16 VAL HG1% A 15 ILE HB 1.0 1.8 5.07 320 279 A 12 LEU HB3 A 12 LEU HD2% 1.0 1.8 3.52 321 280 A 20 LEU HB2 A 20 LEU HD2% 1.0 1.8 2.77 322 281 A 16 VAL HG1% A 15 ILE HD1% 1.0 1.8 5.74 323 282 A 11 PHE HD% A 12 LEU HD2% 1.0 1.8 4.41 324 283 A 4 TYR HD% A 8 LEU HD1% 1.0 1.8 5.84 325 284 A 4 TYR HE% A 8 LEU HD1% 1.0 1.8 6.00 326 285 A 4 TYR HD% A 8 LEU HD2% 1.0 1.8 5.84 327 286 A 4 TYR HE% A 8 LEU HD2% 1.0 1.8 6.00 328 287 A 16 VAL HA A 20 LEU HD1% 1.0 1.8 5.82 329 288 A 8 LEU HA A 8 LEU HD2% 1.0 1.8 3.93 330 289 A 8 LEU HD1% A 7 LYS HEx 1.0 1.8 5.56 331 289 A 7 LYS HE3 A 8 LEU HD1% 1.0 1.8 5.56 332 290 A 17 ARG HA A 17 ARG HG3 1.0 1.8 4.00 333 291 A 17 ARG HDx A 17 ARG HG3 1.0 1.8 2.84 334 291 A 17 ARG HD3 A 17 ARG HG3 1.0 1.8 2.84 335 292 A 17 ARG HA A 17 ARG HG2 1.0 1.8 4.00 336 293 A 17 ARG HG2 A 17 ARG HDx 1.0 1.8 2.84 337 293 A 17 ARG HD3 A 17 ARG HG2 1.0 1.8 2.84 338 294 A 5 THR HA A 8 LEU HG 1.0 1.8 5.99 339 295 A 15 ILE HA A 15 ILE HG12 1.0 1.8 3.46 340 295 A 15 ILE HA A 15 ILE HG13 1.0 1.8 3.46 341 296 A 15 ILE HA A 15 ILE HG12 1.0 1.8 3.50 342 296 A 15 ILE HA A 15 ILE HG13 1.0 1.8 3.50 343 297 A 17 ARG HA A 20 LEU HG 1.0 1.8 6.00 344 298 A 6 ILE HA A 6 ILE HG12 1.0 1.8 3.64 345 298 A 6 ILE HG13 A 6 ILE HA 1.0 1.8 3.64 346 299 A 20 LEU HD1% A 17 ARG HDx 1.0 1.8 5.84 347 299 A 17 ARG HD3 A 20 LEU HD1% 1.0 1.8 5.84 348 300 A 12 LEU HD1% A 12 LEU HB3 1.0 1.8 3.52 349 301 A 12 LEU HD1% A 12 LEU HB2 1.0 1.8 3.52 350 302 A 20 LEU HB2 A 17 ARG HA 1.0 1.8 5.30 351 303 A 5 THR HG2% A 8 LEU HB3 1.0 1.8 6.00 352 304 A 11 PHE HD% A 12 LEU HB3 1.0 1.8 6.00 353 305 A 6 ILE HB A 3 PHE HBx 1.0 1.8 4.73 354 305 A 3 PHE HB3 A 6 ILE HB 1.0 1.8 4.73 355 306 A 3 PHE HA A 3 PHE HBx 1.0 1.8 2.82 356 306 A 3 PHE HB3 A 3 PHE HA 1.0 1.8 2.82 357 307 A 11 PHE HB3 A 8 LEU HA 1.0 1.8 4.15 358 308 A 6 ILE HB A 6 ILE HA 1.0 1.8 3.02 359 309 A 19 MET HA A 19 MET HG3 1.0 1.8 3.36 360 310 A 19 MET HG3 A 15 ILE HG2% 1.0 1.8 3.58 361 311 A 1 MET HBx A 1 MET HGx 1.0 1.8 2.79 362 311 A 1 MET HB3 A 1 MET HGx 1.0 1.8 2.79 363 311 A 1 MET HG3 A 1 MET HBx 1.0 1.8 2.79 364 311 A 1 MET HG3 A 1 MET HB3 1.0 1.8 2.79 365 312 A 5 THR HG2% A 2 LYS HBx 1.0 1.8 4.85 366 312 A 5 THR HG2% A 2 LYS HB3 1.0 1.8 4.85 367 313 A 6 ILE HG2% A 10 LYS HB3 1.0 1.8 5.05 368 314 A 4 TYR HD% A 8 LEU HD2% 1.0 1.8 4.63 369 314 A 4 TYR HD% A 8 LEU HD1% 1.0 1.8 4.63 370 315 A 4 TYR HE% A 8 LEU HD2% 1.0 1.8 4.98 371 315 A 4 TYR HE% A 8 LEU HD1% 1.0 1.8 4.98 372 316 A 5 THR HA A 8 LEU HD2% 1.0 1.8 4.05 373 316 A 5 THR HA A 8 LEU HD1% 1.0 1.8 4.05 374 317 A 7 LYS HE3 A 8 LEU HD2% 1.0 1.8 4.51 375 317 A 7 LYS HEx A 8 LEU HD2% 1.0 1.8 4.51 376 317 A 8 LEU HD1% A 7 LYS HEx 1.0 1.8 4.51 377 317 A 7 LYS HE3 A 8 LEU HD1% 1.0 1.8 4.51 378 318 A 8 LEU H A 8 LEU HD2% 1.0 1.8 3.86 379 318 A 8 LEU H A 8 LEU HD1% 1.0 1.8 3.86 380 319 A 8 LEU HA A 8 LEU HD2% 1.0 1.8 3.15 381 319 A 8 LEU HA A 8 LEU HD1% 1.0 1.8 3.15 382 320 A 9 ALA HA A 8 LEU HD2% 1.0 1.8 4.52 383 320 A 9 ALA HA A 8 LEU HD1% 1.0 1.8 4.52 384 321 A 11 PHE H A 8 LEU HD2% 1.0 1.8 5.75 385 321 A 11 PHE H A 8 LEU HD1% 1.0 1.8 5.75 386 322 A 11 PHE HA A 8 LEU HD2% 1.0 1.8 5.59 387 322 A 11 PHE HA A 8 LEU HD1% 1.0 1.8 5.59 388 323 A 11 PHE HB3 A 8 LEU HD2% 1.0 1.8 4.41 389 323 A 11 PHE HB3 A 8 LEU HD1% 1.0 1.8 4.41 390 324 A 11 PHE HD% A 8 LEU HD2% 1.0 1.8 3.69 391 324 A 11 PHE HD% A 8 LEU HD1% 1.0 1.8 3.69 392 325 A 9 ALA H A 12 LEU HD2% 1.0 1.8 5.11 393 325 A 9 ALA H A 12 LEU HD1% 1.0 1.8 5.11 394 326 A 9 ALA HA A 12 LEU HD2% 1.0 1.8 3.83 395 326 A 9 ALA HA A 12 LEU HD1% 1.0 1.8 3.83 396 327 A 11 PHE H A 10 LYS HG3 1.0 1.8 4.81 397 327 A 11 PHE H A 10 LYS HG2 1.0 1.8 4.81 398 328 A 11 PHE H A 12 LEU HB3 1.0 1.8 5.73 399 328 A 11 PHE H A 12 LEU HB2 1.0 1.8 5.73 400 329 A 11 PHE H A 12 LEU HD2% 1.0 1.8 4.68 401 329 A 11 PHE H A 12 LEU HD1% 1.0 1.8 4.68 402 330 A 11 PHE HB3 A 12 LEU HD2% 1.0 1.8 4.75 403 330 A 11 PHE HB3 A 12 LEU HD1% 1.0 1.8 4.75 404 331 A 11 PHE HD% A 12 LEU HD2% 1.0 1.8 3.10 405 331 A 11 PHE HD% A 12 LEU HD1% 1.0 1.8 3.10 406 332 A 12 LEU H A 12 LEU HB3 1.0 1.8 3.24 407 332 A 12 LEU H A 12 LEU HB2 1.0 1.8 3.24 408 333 A 12 LEU H A 12 LEU HD2% 1.0 1.8 3.64 409 333 A 12 LEU H A 12 LEU HD1% 1.0 1.8 3.64 410 334 A 12 LEU H A 9 ALA HA 1.0 1.8 3.93 411 335 A 11 PHE HA A 12 LEU H 1.0 1.8 3.80 412 336 A 12 LEU HA A 12 LEU HD2% 1.0 1.8 2.62 413 336 A 12 LEU HA A 12 LEU HD1% 1.0 1.8 2.62 414 337 A 12 LEU HB2 A 12 LEU HD2% 1.0 1.8 1.56 415 337 A 12 LEU HB3 A 12 LEU HD2% 1.0 1.8 1.56 416 337 A 12 LEU HD1% A 12 LEU HB3 1.0 1.8 1.56 417 337 A 12 LEU HD1% A 12 LEU HB2 1.0 1.8 1.56 418 338 A 12 LEU HB2 A 12 LEU HD2% 1.0 1.8 3.52 419 339 A 13 GLY H A 12 LEU HB3 1.0 1.8 3.71 420 339 A 13 GLY H A 12 LEU HB2 1.0 1.8 3.71 421 340 A 13 GLY HA3 A 12 LEU HB3 1.0 1.8 5.81 422 340 A 13 GLY HA3 A 12 LEU HB2 1.0 1.8 5.81 423 341 A 15 ILE HD1% A 12 LEU HB3 1.0 1.8 5.81 424 341 A 15 ILE HD1% A 12 LEU HB2 1.0 1.8 5.81 425 342 A 15 ILE H A 12 LEU HD2% 1.0 1.8 4.75 426 342 A 15 ILE H A 12 LEU HD1% 1.0 1.8 4.75 427 343 A 15 ILE HD1% A 12 LEU HD2% 1.0 1.8 2.83 428 343 A 15 ILE HD1% A 12 LEU HD1% 1.0 1.8 2.83 429 344 A 13 GLY H A 11 PHE HA 1.0 1.8 5.26 430 345 A 10 LYS HA A 14 GLY H 1.0 1.8 4.12 431 346 A 17 ARG HA A 17 ARG HG3 1.0 1.8 3.35 432 346 A 17 ARG HA A 17 ARG HG2 1.0 1.8 3.35 433 347 A 17 ARG HB3 A 20 LEU HD2% 1.0 1.8 5.60 434 347 A 17 ARG HB3 A 20 LEU HD1% 1.0 1.8 5.60 435 348 A 17 ARG HDx A 17 ARG HG3 1.0 1.8 2.41 436 348 A 17 ARG HD3 A 17 ARG HG3 1.0 1.8 2.41 437 348 A 17 ARG HG2 A 17 ARG HDx 1.0 1.8 2.41 438 348 A 17 ARG HD3 A 17 ARG HG2 1.0 1.8 2.41 439 349 A 18 ALA HA A 17 ARG HG3 1.0 1.8 5.81 440 349 A 18 ALA HA A 17 ARG HG2 1.0 1.8 5.81 441 350 A 17 ARG HD3 A 20 LEU HD2% 1.0 1.8 4.49 442 350 A 17 ARG HDx A 20 LEU HD2% 1.0 1.8 4.49 443 350 A 20 LEU HD1% A 17 ARG HDx 1.0 1.8 4.49 444 350 A 17 ARG HD3 A 20 LEU HD1% 1.0 1.8 4.49 445 351 A 17 ARG H A 13 GLY HA3 1.0 1.8 5.88 446 352 A 19 MET H A 20 LEU HD2% 1.0 1.8 4.90 447 352 A 19 MET H A 20 LEU HD1% 1.0 1.8 4.90 448 353 A 19 MET HB2 A 20 LEU HD2% 1.0 1.8 4.96 449 353 A 19 MET HB2 A 20 LEU HD1% 1.0 1.8 4.96 450 354 A 19 MET HG3 A 20 LEU HD2% 1.0 1.8 5.83 451 354 A 19 MET HG3 A 20 LEU HD1% 1.0 1.8 5.83 452 355 A 20 LEU HA A 20 LEU HD2% 1.0 1.8 2.51 453 355 A 20 LEU HA A 20 LEU HD1% 1.0 1.8 2.51 454 356 A 20 LEU HA A 23 PHE HB2 1.0 1.8 5.24 455 356 A 20 LEU HA A 23 PHE HB3 1.0 1.8 5.24 456 357 A 21 GLY H A 20 LEU HD2% 1.0 1.8 5.23 457 357 A 21 GLY H A 20 LEU HD1% 1.0 1.8 5.23 458 358 A 22 SER H A 20 LEU HD2% 1.0 1.8 5.65 459 358 A 22 SER H A 20 LEU HD1% 1.0 1.8 5.65 460 359 A 23 PHE H A 20 LEU HD2% 1.0 1.8 5.44 461 359 A 23 PHE H A 20 LEU HD1% 1.0 1.8 5.44 462 360 A 20 LEU HD2% A 23 PHE HB2 1.0 1.8 3.74 463 360 A 20 LEU HD1% A 23 PHE HB2 1.0 1.8 3.74 464 360 A 23 PHE HB3 A 20 LEU HD2% 1.0 1.8 3.74 465 360 A 20 LEU HD1% A 23 PHE HB3 1.0 1.8 3.74 466 361 A 23 PHE HD% A 20 LEU HD2% 1.0 1.8 5.56 467 361 A 23 PHE HD% A 20 LEU HD1% 1.0 1.8 5.56 468 362 A 23 PHE H A 23 PHE HB2 1.0 1.8 2.86 469 362 A 23 PHE H A 23 PHE HB3 1.0 1.8 2.86 470 363 A 23 PHE H A 24 ARG HG3 1.0 1.8 5.81 471 363 A 23 PHE H A 24 ARG HG2 1.0 1.8 5.81 472 364 A 24 ARG H A 24 ARG HB2 1.0 1.8 3.16 473 364 A 24 ARG H A 24 ARG HB3 1.0 1.8 3.16 474 365 A 24 ARG H A 24 ARG HG3 1.0 1.8 3.57 475 365 A 24 ARG H A 24 ARG HG2 1.0 1.8 3.57 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 3 PHE C A 4 TYR N A 4 TYR CA A 4 TYR C 1.0 -92.2 -42.1 PHI 2 2 A 4 TYR N A 4 TYR CA A 4 TYR C A 5 THR N 1.0 -96.3 31.1 PSI 3 3 A 4 TYR C A 5 THR N A 5 THR CA A 5 THR C 1.0 -76.4 -53.0 PHI 4 4 A 5 THR N A 5 THR CA A 5 THR C A 6 ILE N 1.0 -64.9 -11.2 PSI 5 5 A 5 THR C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -94.7 -45.9 PHI 6 6 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 LYS N 1.0 -52.3 -16.4 PSI 7 7 A 6 ILE C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -73.0 -53.0 PHI 8 8 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 LEU N 1.0 -50.2 -28.8 PSI 9 9 A 7 LYS C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -74.0 -54.0 PHI 10 10 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 ALA N 1.0 -57.5 -17.4 PSI 11 11 A 8 LEU C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -76.2 -49.3 PHI 12 12 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 LYS N 1.0 -49.5 -28.9 PSI 13 13 A 9 ALA C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -80.7 -51.3 PHI 14 14 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 PHE N 1.0 -56.1 -22.1 PSI 15 15 A 10 LYS C A 11 PHE N A 11 PHE CA A 11 PHE C 1.0 -76.1 -56.1 PHI 16 16 A 11 PHE N A 11 PHE CA A 11 PHE C A 12 LEU N 1.0 -54.5 -28.7 PSI 17 17 A 11 PHE C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -113.7 -33.5 PHI 18 18 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 GLY N 1.0 -64.0 -0.6 PSI 19 19 A 14 GLY C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -71.5 -51.5 PHI 20 20 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 VAL N 1.0 -51.0 -31.0 PSI 21 21 A 15 ILE C A 16 VAL N A 16 VAL CA A 16 VAL C 1.0 -79.6 -53.1 PHI 22 22 A 16 VAL N A 16 VAL CA A 16 VAL C A 17 ARG N 1.0 -58.7 -26.5 PSI 23 23 A 16 VAL C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -70.8 -50.8 PHI 24 24 A 17 ARG N A 17 ARG CA A 17 ARG C A 18 ALA N 1.0 -58.6 -27.4 PSI 25 25 A 17 ARG C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -90.8 -42.2 PHI 26 26 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 MET N 1.0 -48.3 -24.0 PSI 27 27 A 18 ALA C A 19 MET N A 19 MET CA A 19 MET C 1.0 -74.1 -54.1 PHI 28 28 A 19 MET N A 19 MET CA A 19 MET C A 20 LEU N 1.0 -54.6 -23.3 PSI 29 29 A 19 MET C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -109.2 -37.5 PHI 30 30 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 GLY N 1.0 -64.5 -13.3 PSI 31 31 A 20 LEU C A 21 GLY N A 21 GLY CA A 21 GLY C 1.0 -80.2 -50.9 PHI 32 32 A 21 GLY N A 21 GLY CA A 21 GLY C A 22 SER N 1.0 -58.5 -5.8 PSI stop_ save_