data_nef_c25268_2mvh 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 25270 PDB 2MVH 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 PRO middle . false 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 3.925 . A 1 MET HB3 H 1 2.024 . A 1 MET HE% H 1 2.086 . A 1 MET HG3 H 1 2.504 . A 1 MET CA C 13 55.655 . A 1 MET CB C 13 34.800 . A 1 MET CE C 13 17.210 . A 1 MET CG C 13 31.600 . A 2 LYS HA H 1 4.400 . A 2 LYS HB3 H 1 1.900 . A 2 LYS HD3 H 1 1.750 . A 2 LYS HE3 H 1 3.000 . A 2 LYS HG3 H 1 1.500 . A 2 LYS CA C 13 56.200 . A 2 LYS CB C 13 33.300 . A 2 LYS CD C 13 28.950 . A 2 LYS CE C 13 42.000 . A 2 LYS CG C 13 24.600 . A 3 PHE H H 1 8.333 . A 3 PHE HA H 1 4.554 . A 3 PHE HB2 H 1 3.014 . A 3 PHE HB3 H 1 3.068 . A 3 PHE HD1 H 1 7.212 . A 3 PHE HD2 H 1 7.212 . A 3 PHE CA C 13 58.080 . A 3 PHE CB C 13 40.155 . A 3 PHE N N 15 120.647 . A 4 TYR H H 1 7.835 . A 4 TYR HA H 1 4.484 . A 4 TYR HB2 H 1 2.945 . A 4 TYR HB3 H 1 3.047 . A 4 TYR HD1 H 1 7.047 . A 4 TYR HD2 H 1 7.047 . A 4 TYR HE1 H 1 6.845 . A 4 TYR HE2 H 1 6.845 . A 4 TYR CA C 13 58.100 . A 4 TYR CB C 13 38.700 . A 4 TYR N N 15 119.545 . A 5 THR H H 1 7.921 . A 5 THR HA H 1 4.327 . A 5 THR HB H 1 4.248 . A 5 THR HG2% H 1 1.175 . A 5 THR CA C 13 62.200 . A 5 THR CB C 13 69.500 . A 5 THR CG2 C 13 21.865 . A 5 THR N N 15 113.849 . A 6 ILE H H 1 7.877 . A 6 ILE HA H 1 4.242 . A 6 ILE HB H 1 1.951 . A 6 ILE HD1% H 1 0.896 . A 6 ILE HG12 H 1 1.579 . A 6 ILE HG13 H 1 1.235 . A 6 ILE HG2% H 1 0.920 . A 6 ILE CA C 13 60.900 . A 6 ILE CB C 13 39.278 . A 6 ILE CD1 C 13 13.588 . A 6 ILE CG1 C 13 27.561 . A 6 ILE CG2 C 13 17.708 . A 6 ILE N N 15 121.812 . A 7 LYS H H 1 8.210 . A 7 LYS HA H 1 4.466 . A 7 LYS HB3 H 1 1.900 . A 7 LYS HD3 H 1 1.750 . A 7 LYS HE3 H 1 3.000 . A 7 LYS HG3 H 1 1.500 . A 7 LYS CA C 13 56.200 . A 7 LYS CB C 13 33.300 . A 7 LYS CD C 13 28.950 . A 7 LYS CE C 13 42.000 . A 7 LYS CG C 13 24.600 . A 7 LYS N N 15 124.588 . A 8 LEU H H 1 8.421 . A 8 LEU HA H 1 4.508 . A 8 LEU HB2 H 1 1.543 . A 8 LEU HB3 H 1 1.726 . A 8 LEU HD1% H 1 0.957 . A 8 LEU HD2% H 1 0.912 . A 8 LEU HG H 1 1.759 . A 8 LEU CA C 13 54.900 . A 8 LEU CB C 13 41.800 . A 8 LEU CD1 C 13 25.500 . A 8 LEU CD2 C 13 24.323 . A 8 LEU CG C 13 27.122 . A 8 LEU N N 15 123.110 . A 9 PRO HA H 1 4.451 . A 9 PRO HB2 H 1 1.804 . A 9 PRO HB3 H 1 2.453 . A 9 PRO HD2 H 1 3.526 . A 9 PRO HD3 H 1 3.963 . A 9 PRO HG2 H 1 2.070 . A 9 PRO HG3 H 1 2.020 . A 9 PRO CA C 13 63.800 . A 9 PRO CB C 13 31.900 . A 9 PRO CD C 13 50.300 . A 9 PRO CG C 13 28.184 . A 10 LYS HA H 1 4.099 . A 10 LYS HB3 H 1 1.953 . A 10 LYS HD3 H 1 1.751 . A 10 LYS HE3 H 1 3.056 . A 10 LYS HG2 H 1 1.489 . A 10 LYS HG3 H 1 1.592 . A 10 LYS CA C 13 59.200 . A 10 LYS CB C 13 32.400 . A 10 LYS CD C 13 29.200 . A 10 LYS CE C 13 41.900 . A 10 LYS CG C 13 25.500 . A 11 PHE H H 1 8.385 . A 11 PHE HA H 1 4.573 . A 11 PHE HB2 H 1 3.209 . A 11 PHE HB3 H 1 3.366 . A 11 PHE HD1 H 1 7.349 . A 11 PHE HD2 H 1 7.349 . A 11 PHE CA C 13 59.646 . A 11 PHE CB C 13 38.700 . A 11 PHE N N 15 117.741 . A 12 LEU H H 1 7.717 . A 12 LEU HA H 1 4.045 . A 12 LEU HB2 H 1 1.534 . A 12 LEU HB3 H 1 1.637 . A 12 LEU HD1% H 1 0.917 . A 12 LEU HD2% H 1 0.880 . A 12 LEU CA C 13 56.935 . A 12 LEU CB C 13 42.158 . A 12 LEU CD1 C 13 25.289 . A 12 LEU CD2 C 13 24.212 . A 12 LEU CG C 13 26.700 . A 12 LEU N N 15 118.903 . A 13 GLY H H 1 8.402 . A 13 GLY HA2 H 1 4.062 . A 13 GLY HA3 H 1 3.690 . A 13 GLY CA C 13 47.544 . A 13 GLY N N 15 106.373 . A 14 GLY H H 1 8.110 . A 14 GLY HA3 H 1 3.965 . A 14 GLY CA C 13 47.000 . A 14 GLY N N 15 108.291 . A 15 ILE H H 1 7.723 . A 15 ILE HA H 1 3.861 . A 15 ILE HB H 1 2.053 . A 15 ILE HD1% H 1 0.853 . A 15 ILE HG12 H 1 1.731 . A 15 ILE HG13 H 1 1.169 . A 15 ILE HG2% H 1 0.951 . A 15 ILE CA C 13 64.570 . A 15 ILE CB C 13 37.851 . A 15 ILE CD1 C 13 13.501 . A 15 ILE CG1 C 13 28.813 . A 15 ILE CG2 C 13 17.568 . A 15 ILE N N 15 121.990 . A 16 VAL H H 1 8.049 . A 16 VAL HA H 1 3.612 . A 16 VAL HB H 1 2.234 . A 16 VAL HG1% H 1 0.968 . A 16 VAL HG2% H 1 1.060 . A 16 VAL CA C 13 67.200 . A 16 VAL CB C 13 31.342 . A 16 VAL CG1 C 13 21.854 . A 16 VAL CG2 C 13 23.254 . A 16 VAL N N 15 119.530 . A 17 ARG H H 1 8.247 . A 17 ARG HA H 1 3.962 . A 17 ARG HB3 H 1 1.955 . A 17 ARG HD3 H 1 3.250 . A 17 ARG HG2 H 1 1.866 . A 17 ARG HG3 H 1 1.630 . A 17 ARG CA C 13 60.100 . A 17 ARG CB C 13 30.100 . A 17 ARG CD C 13 43.200 . A 17 ARG CG C 13 28.500 . A 17 ARG N N 15 118.293 . A 18 ALA H H 1 7.874 . A 18 ALA HA H 1 4.226 . A 18 ALA HB% H 1 1.565 . A 18 ALA CA C 13 54.700 . A 18 ALA CB C 13 18.306 . A 18 ALA N N 15 121.103 . A 19 MET H H 1 8.174 . A 19 MET HA H 1 4.192 . A 19 MET HB2 H 1 2.151 . A 19 MET HB3 H 1 2.312 . A 19 MET HE% H 1 2.037 . A 19 MET HG2 H 1 2.539 . A 19 MET HG3 H 1 2.809 . A 19 MET CA C 13 58.650 . A 19 MET CB C 13 33.413 . A 19 MET CE C 13 17.296 . A 19 MET CG C 13 32.789 . A 19 MET N N 15 116.847 . A 20 LEU H H 1 8.178 . A 20 LEU HA H 1 4.271 . A 20 LEU HB2 H 1 1.676 . A 20 LEU HB3 H 1 1.900 . A 20 LEU HD1% H 1 0.927 . A 20 LEU HD2% H 1 0.910 . A 20 LEU HG H 1 1.929 . A 20 LEU CA C 13 56.878 . A 20 LEU CB C 13 41.900 . A 20 LEU CD1 C 13 25.771 . A 20 LEU CD2 C 13 23.385 . A 20 LEU CG C 13 27.115 . A 20 LEU N N 15 117.531 . A 21 GLY H H 1 8.006 . A 21 GLY HA3 H 1 4.009 . A 21 GLY CA C 13 46.400 . A 21 GLY N N 15 105.942 . A 22 SER H H 1 7.859 . A 22 SER HA H 1 4.273 . A 22 SER HB3 H 1 3.805 . A 22 SER CA C 13 59.500 . A 22 SER CB C 13 63.580 . A 22 SER N N 15 115.031 . A 23 PHE H H 1 7.837 . A 23 PHE HA H 1 4.621 . A 23 PHE HB2 H 1 3.295 . A 23 PHE HB3 H 1 3.069 . A 23 PHE HD1 H 1 7.383 . A 23 PHE HD2 H 1 7.383 . A 23 PHE CA C 13 58.100 . A 23 PHE CB C 13 39.670 . A 23 PHE N N 15 119.803 . A 24 ARG H H 1 7.886 . A 24 ARG HA H 1 4.366 . A 24 ARG HB2 H 1 1.820 . A 24 ARG HB3 H 1 1.940 . A 24 ARG HD3 H 1 3.236 . A 24 ARG HG2 H 1 1.629 . A 24 ARG HG3 H 1 1.676 . A 24 ARG CA C 13 55.980 . A 24 ARG CB C 13 31.152 . A 24 ARG CD C 13 43.550 . A 24 ARG CG C 13 27.140 . A 24 ARG N N 15 120.811 . A 25 LYS H H 1 8.359 . A 25 LYS HA H 1 4.400 . A 25 LYS HB3 H 1 1.900 . A 25 LYS HD3 H 1 1.750 . A 25 LYS HE3 H 1 3.000 . A 25 LYS HG3 H 1 1.500 . A 25 LYS CA C 13 56.200 . A 25 LYS CB C 13 33.300 . A 25 LYS CD C 13 28.950 . A 25 LYS CE C 13 42.000 . A 25 LYS CG C 13 24.600 . A 25 LYS N N 15 123.162 . A 26 ASP H H 1 7.970 . A 26 ASP HA H 1 4.416 . A 26 ASP HB2 H 1 2.590 . A 26 ASP HB3 H 1 2.686 . A 26 ASP CA C 13 55.500 . A 26 ASP CB C 13 42.400 . A 26 ASP N N 15 126.983 . 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 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 20 LEU HD1% 1.0 1.8 5.67 2 2 A 21 GLY H A 22 SER H 1.0 1.8 3.32 3 3 A 21 GLY H A 20 LEU H 1.0 1.8 3.31 4 4 A 21 GLY H A 20 LEU HD2% 1.0 1.8 5.67 5 5 A 21 GLY H A 20 LEU HB2 1.0 1.8 4.11 6 6 A 21 GLY H A 20 LEU HB3 1.0 1.8 3.46 7 7 A 21 GLY H A 18 ALA HB% 1.0 1.8 5.54 8 8 A 21 GLY H A 21 GLY HAx 1.0 1.8 2.64 9 8 A 21 GLY H A 21 GLY HA3 1.0 1.8 2.64 10 9 A 21 GLY H A 18 ALA HA 1.0 1.8 3.89 11 10 A 21 GLY H A 19 MET HB3 1.0 1.8 6.00 12 11 A 21 GLY H A 19 MET HB2 1.0 1.8 5.83 13 12 A 13 GLY H A 12 LEU HB3 1.0 1.8 3.89 14 13 A 13 GLY H A 12 LEU HB2 1.0 1.8 3.89 15 14 A 13 GLY H A 16 VAL HB 1.0 1.8 4.64 16 15 A 13 GLY H A 15 ILE HB 1.0 1.8 5.30 17 16 A 13 GLY H A 11 PHE HB2 1.0 1.8 5.00 18 17 A 13 GLY H A 11 PHE HB3 1.0 1.8 5.29 19 18 A 13 GLY H A 13 GLY HA2 1.0 1.8 2.78 20 19 A 13 GLY H A 11 PHE HA 1.0 1.8 4.78 21 20 A 13 GLY H A 12 LEU H 1.0 1.8 3.24 22 21 A 13 GLY H A 14 GLY H 1.0 1.8 3.28 23 22 A 14 GLY H A 15 ILE H 1.0 1.8 3.26 24 23 A 14 GLY H A 15 ILE HG12 1.0 1.8 5.94 25 23 A 14 GLY H A 15 ILE HG13 1.0 1.8 5.94 26 24 A 14 GLY H A 15 ILE HD1% 1.0 1.8 5.16 27 25 A 16 VAL HB A 14 GLY H 1.0 1.8 5.79 28 26 A 15 ILE HB A 14 GLY H 1.0 1.8 4.59 29 27 A 11 PHE HB3 A 14 GLY H 1.0 1.8 6.00 30 28 A 14 GLY H A 13 GLY HA3 1.0 1.8 3.57 31 29 A 14 GLY H A 14 GLY HAx 1.0 1.8 2.59 32 29 A 14 GLY H A 14 GLY HA3 1.0 1.8 2.59 33 30 A 11 PHE HA A 14 GLY H 1.0 1.8 4.19 34 31 A 5 THR H A 6 ILE HD1% 1.0 1.8 5.74 35 32 A 5 THR H A 5 THR HG2% 1.0 1.8 3.80 36 33 A 5 THR H A 4 TYR HB3 1.0 1.8 4.05 37 34 A 5 THR H A 4 TYR HB2 1.0 1.8 4.05 38 35 A 5 THR H A 5 THR HB 1.0 1.8 3.75 39 36 A 5 THR H A 4 TYR HD% 1.0 1.8 4.43 40 37 A 22 SER H A 20 LEU HB3 1.0 1.8 5.09 41 38 A 22 SER H A 24 ARG HG2 1.0 1.8 4.72 42 39 A 22 SER H A 22 SER HBx 1.0 1.8 2.94 43 39 A 22 SER H A 22 SER HB3 1.0 1.8 2.94 44 40 A 22 SER H A 21 GLY HAx 1.0 1.8 3.04 45 40 A 22 SER H A 21 GLY HA3 1.0 1.8 3.04 46 41 A 22 SER H A 20 LEU HA 1.0 1.8 3.86 47 42 A 22 SER H A 19 MET HA 1.0 1.8 3.62 48 43 A 22 SER H A 23 PHE HB3 1.0 1.8 4.76 49 44 A 22 SER H A 23 PHE HB2 1.0 1.8 6.00 50 45 A 22 SER H A 24 ARG HDx 1.0 1.8 6.00 51 45 A 22 SER H A 24 ARG HD3 1.0 1.8 6.00 52 46 A 18 ALA HB% A 19 MET H 1.0 1.8 3.13 53 47 A 20 LEU H A 19 MET HB2 1.0 1.8 3.85 54 48 A 20 LEU H A 20 LEU HG 1.0 1.8 2.98 55 49 A 19 MET HB2 A 19 MET H 1.0 1.8 3.58 56 50 A 19 MET H A 19 MET HE% 1.0 1.8 4.27 57 51 A 20 LEU H A 19 MET HG2 1.0 1.8 5.29 58 52 A 20 LEU H A 19 MET HG3 1.0 1.8 5.29 59 53 A 19 MET H A 19 MET HG2 1.0 1.8 3.79 60 54 A 19 MET H A 19 MET HG3 1.0 1.8 3.79 61 55 A 20 LEU H A 17 ARG HA 1.0 1.8 4.16 62 56 A 20 LEU H A 16 VAL HA 1.0 1.8 4.55 63 57 A 19 MET H A 15 ILE HA 1.0 1.8 4.24 64 58 A 19 MET H A 16 VAL HA 1.0 1.8 3.79 65 59 A 12 LEU H A 11 PHE H 1.0 1.8 3.82 66 60 A 11 PHE H A 11 PHE HD% 1.0 1.8 4.37 67 61 A 11 PHE H A 8 LEU HA 1.0 1.8 5.95 68 62 A 11 PHE H A 9 PRO HA 1.0 1.8 6.00 69 63 A 11 PHE HB3 A 11 PHE H 1.0 1.8 3.53 70 64 A 11 PHE HB2 A 11 PHE H 1.0 1.8 3.49 71 65 A 11 PHE H A 9 PRO HB2 1.0 1.8 5.63 72 66 A 11 PHE H A 9 PRO HG2 1.0 1.8 4.62 73 67 A 11 PHE H A 9 PRO HD3 1.0 1.8 5.63 74 68 A 11 PHE H A 8 LEU HB3 1.0 1.8 5.48 75 69 A 18 ALA HA A 17 ARG H 1.0 1.8 5.00 76 70 A 17 ARG H A 17 ARG HDx 1.0 1.8 4.47 77 70 A 17 ARG H A 17 ARG HD3 1.0 1.8 4.47 78 71 A 17 ARG H A 12 LEU HA 1.0 1.8 5.77 79 72 A 15 ILE HA A 17 ARG H 1.0 1.8 5.16 80 73 A 16 VAL HB A 17 ARG H 1.0 1.8 3.87 81 74 A 17 ARG H A 17 ARG HBx 1.0 1.8 3.03 82 74 A 17 ARG H A 17 ARG HB3 1.0 1.8 3.03 83 75 A 17 ARG H A 17 ARG HG3 1.0 1.8 4.30 84 76 A 17 ARG H A 17 ARG HG2 1.0 1.8 4.30 85 77 A 17 ARG H A 16 VAL HG2% 1.0 1.8 4.19 86 78 A 17 ARG H A 16 VAL HG1% 1.0 1.8 4.19 87 79 A 18 ALA HB% A 17 ARG H 1.0 1.8 4.56 88 80 A 17 ARG H A 18 ALA H 1.0 1.8 3.56 89 81 A 11 PHE HB3 A 12 LEU H 1.0 1.8 5.42 90 82 A 12 LEU H A 12 LEU HB2 1.0 1.8 3.92 91 83 A 12 LEU H A 12 LEU HB3 1.0 1.8 3.92 92 84 A 11 PHE HB2 A 12 LEU H 1.0 1.8 4.32 93 85 A 12 LEU H A 8 LEU HD1% 1.0 1.8 4.81 94 86 A 12 LEU H A 8 LEU HD2% 1.0 1.8 4.81 95 87 A 15 ILE H A 16 VAL H 1.0 1.8 3.15 96 88 A 17 ARG H A 16 VAL H 1.0 1.8 3.31 97 89 A 12 LEU HA A 16 VAL H 1.0 1.8 3.82 98 90 A 16 VAL H A 14 GLY HAx 1.0 1.8 4.73 99 90 A 14 GLY HA3 A 16 VAL H 1.0 1.8 4.73 100 91 A 13 GLY HA3 A 16 VAL H 1.0 1.8 5.21 101 92 A 16 VAL HB A 16 VAL H 1.0 1.8 2.91 102 93 A 15 ILE HB A 16 VAL H 1.0 1.8 3.17 103 94 A 16 VAL H A 17 ARG HBx 1.0 1.8 4.77 104 94 A 17 ARG HB3 A 16 VAL H 1.0 1.8 4.77 105 95 A 16 VAL H A 12 LEU HG 1.0 1.8 5.40 106 96 A 16 VAL H A 15 ILE HG12 1.0 1.8 5.35 107 96 A 15 ILE HG13 A 16 VAL H 1.0 1.8 5.35 108 97 A 16 VAL H A 15 ILE HG2% 1.0 1.8 3.02 109 98 A 15 ILE HD1% A 16 VAL H 1.0 1.8 5.36 110 99 A 20 LEU HA A 24 ARG H 1.0 1.8 4.59 111 100 A 23 PHE HB2 A 23 PHE H 1.0 1.8 3.57 112 101 A 24 ARG HG2 A 23 PHE H 1.0 1.8 4.12 113 102 A 23 PHE H A 23 PHE HD% 1.0 1.8 3.71 114 103 A 20 LEU HB3 A 23 PHE H 1.0 1.8 6.00 115 104 A 3 PHE H A 4 TYR H 1.0 1.8 4.39 116 105 A 3 PHE H A 3 PHE HD% 1.0 1.8 4.98 117 106 A 3 PHE H A 3 PHE HB2 1.0 1.8 3.82 118 107 A 3 PHE H A 3 PHE HB3 1.0 1.8 3.82 119 108 A 5 THR HA A 6 ILE H 1.0 1.8 3.10 120 109 A 6 ILE H A 6 ILE HB 1.0 1.8 3.39 121 110 A 6 ILE H A 6 ILE HG12 1.0 1.8 4.51 122 110 A 6 ILE H A 6 ILE HG13 1.0 1.8 4.51 123 111 A 5 THR HG2% A 6 ILE H 1.0 1.8 3.98 124 112 A 6 ILE H A 6 ILE HG12 1.0 1.8 4.51 125 112 A 6 ILE H A 6 ILE HG13 1.0 1.8 4.51 126 113 A 17 ARG HA A 18 ALA H 1.0 1.8 3.30 127 114 A 15 ILE HA A 18 ALA H 1.0 1.8 3.49 128 115 A 16 VAL HA A 18 ALA H 1.0 1.8 4.64 129 116 A 18 ALA H A 17 ARG HBx 1.0 1.8 2.95 130 116 A 17 ARG HB3 A 18 ALA H 1.0 1.8 2.95 131 117 A 18 ALA HB% A 18 ALA H 1.0 1.8 2.61 132 118 A 18 ALA H A 15 ILE HG2% 1.0 1.8 4.54 133 119 A 24 ARG H A 21 GLY HAx 1.0 1.8 5.11 134 119 A 21 GLY HA3 A 24 ARG H 1.0 1.8 5.11 135 120 A 23 PHE HB2 A 24 ARG H 1.0 1.8 3.66 136 121 A 23 PHE HB3 A 24 ARG H 1.0 1.8 3.80 137 122 A 24 ARG H A 24 ARG HB3 1.0 1.8 3.72 138 123 A 24 ARG H A 24 ARG HG3 1.0 1.8 3.83 139 124 A 24 ARG HG2 A 24 ARG H 1.0 1.8 3.97 140 125 A 20 LEU HA A 23 PHE H 1.0 1.8 5.02 141 126 A 23 PHE H A 21 GLY HAx 1.0 1.8 4.75 142 126 A 21 GLY HA3 A 23 PHE H 1.0 1.8 4.75 143 127 A 23 PHE HB3 A 23 PHE H 1.0 1.8 3.20 144 128 A 6 ILE H A 7 LYS H 1.0 1.8 4.40 145 129 A 19 MET H A 18 ALA H 1.0 1.8 3.02 146 130 A 11 PHE HA A 15 ILE H 1.0 1.8 5.22 147 131 A 15 ILE H A 14 GLY HAx 1.0 1.8 3.24 148 131 A 15 ILE H A 14 GLY HA3 1.0 1.8 3.24 149 132 A 15 ILE H A 16 VAL HA 1.0 1.8 5.64 150 133 A 16 VAL HB A 15 ILE H 1.0 1.8 4.89 151 134 A 15 ILE HB A 15 ILE H 1.0 1.8 3.07 152 135 A 18 ALA HB% A 15 ILE H 1.0 1.8 5.57 153 136 A 15 ILE H A 15 ILE HG12 1.0 1.8 3.56 154 136 A 15 ILE H A 15 ILE HG13 1.0 1.8 3.56 155 137 A 15 ILE H A 15 ILE HG2% 1.0 1.8 3.78 156 138 A 15 ILE H A 15 ILE HD1% 1.0 1.8 4.00 157 139 A 8 LEU HA A 8 LEU H 1.0 1.8 2.92 158 140 A 9 PRO HD3 A 8 LEU H 1.0 1.8 4.31 159 141 A 8 LEU H A 8 LEU HB2 1.0 1.8 3.17 160 142 A 8 LEU H A 6 ILE HG2% 1.0 1.8 3.61 161 143 A 6 ILE HB A 8 LEU H 1.0 1.8 4.33 162 144 A 8 LEU H A 8 LEU HG 1.0 1.8 3.49 163 145 A 7 LYS H A 8 LEU H 1.0 1.8 4.22 164 146 A 7 LYS H A 7 LYS HBx 1.0 1.8 3.13 165 146 A 7 LYS H A 7 LYS HB3 1.0 1.8 3.13 166 147 A 7 LYS H A 7 LYS HDx 1.0 1.8 3.53 167 147 A 7 LYS H A 7 LYS HD3 1.0 1.8 3.53 168 148 A 7 LYS H A 7 LYS HGx 1.0 1.8 3.49 169 148 A 7 LYS H A 7 LYS HG3 1.0 1.8 3.49 170 149 A 7 LYS H A 6 ILE HG2% 1.0 1.8 3.57 171 150 A 7 LYS H A 6 ILE HA 1.0 1.8 2.86 172 151 A 7 LYS H A 7 LYS HEx 1.0 1.8 6.00 173 151 A 7 LYS H A 7 LYS HE3 1.0 1.8 6.00 174 152 A 20 LEU H A 18 ALA HB% 1.0 1.8 5.12 175 153 A 12 LEU H A 14 GLY H 1.0 1.8 5.73 176 154 A 12 LEU H A 11 PHE HD% 1.0 1.8 6.00 177 155 A 8 LEU H A 6 ILE HA 1.0 1.8 5.44 178 156 A 13 GLY H A 15 ILE H 1.0 1.8 4.14 179 157 A 15 ILE H A 17 ARG H 1.0 1.8 4.16 180 158 A 15 ILE H A 18 ALA H 1.0 1.8 4.70 181 159 A 8 LEU HA A 9 PRO HD3 1.0 1.8 3.31 182 160 A 9 PRO HD3 A 8 LEU HB2 1.0 1.8 3.36 183 161 A 9 PRO HD3 A 8 LEU HB3 1.0 1.8 3.57 184 162 A 8 LEU HA A 9 PRO HD2 1.0 1.8 3.32 185 163 A 8 LEU HB3 A 9 PRO HD2 1.0 1.8 3.74 186 164 A 14 GLY HA3 A 17 ARG HBx 1.0 1.8 3.49 187 164 A 14 GLY HAx A 17 ARG HBx 1.0 1.8 3.49 188 164 A 17 ARG HB3 A 14 GLY HAx 1.0 1.8 3.49 189 164 A 14 GLY HA3 A 17 ARG HB3 1.0 1.8 3.49 190 165 A 21 GLY HAx A 24 ARG HDx 1.0 1.8 5.47 191 165 A 24 ARG HD3 A 21 GLY HAx 1.0 1.8 5.47 192 165 A 21 GLY HA3 A 24 ARG HD3 1.0 1.8 5.47 193 165 A 21 GLY HA3 A 24 ARG HDx 1.0 1.8 5.47 194 166 A 24 ARG HG3 A 21 GLY HAx 1.0 1.8 4.86 195 166 A 21 GLY HA3 A 24 ARG HG3 1.0 1.8 4.86 196 167 A 24 ARG HG2 A 21 GLY HAx 1.0 1.8 4.90 197 167 A 21 GLY HA3 A 24 ARG HG2 1.0 1.8 4.90 198 168 A 15 ILE HG2% A 14 GLY HAx 1.0 1.8 6.00 199 168 A 14 GLY HA3 A 15 ILE HG2% 1.0 1.8 6.00 200 169 A 23 PHE HB3 A 23 PHE HA 1.0 1.8 2.98 201 170 A 11 PHE HB3 A 8 LEU HD1% 1.0 1.8 4.93 202 171 A 11 PHE HB3 A 8 LEU HD2% 1.0 1.8 4.93 203 172 A 11 PHE HB2 A 8 LEU HD1% 1.0 1.8 4.64 204 173 A 11 PHE HB2 A 8 LEU HD2% 1.0 1.8 4.64 205 174 A 6 ILE HD1% A 4 TYR HB3 1.0 1.8 4.46 206 175 A 8 LEU HD2% A 4 TYR HB3 1.0 1.8 3.52 207 176 A 11 PHE HB2 A 8 LEU HB2 1.0 1.8 6.00 208 177 A 11 PHE HB2 A 8 LEU HG 1.0 1.8 6.00 209 178 A 11 PHE HB2 A 8 LEU HB3 1.0 1.8 5.92 210 179 A 11 PHE HB3 A 8 LEU HB3 1.0 1.8 5.53 211 180 A 15 ILE HB A 11 PHE HD% 1.0 1.8 6.00 212 181 A 15 ILE HB A 12 LEU HA 1.0 1.8 3.26 213 182 A 15 ILE HB A 12 LEU HG 1.0 1.8 6.00 214 183 A 6 ILE HB A 4 TYR HA 1.0 1.8 6.00 215 184 A 8 LEU HA A 6 ILE HB 1.0 1.8 6.00 216 185 A 6 ILE HD1% A 6 ILE HB 1.0 1.8 3.03 217 186 A 11 PHE HD% A 12 LEU HB2 1.0 1.8 5.66 218 187 A 11 PHE HD% A 12 LEU HB3 1.0 1.8 5.66 219 188 A 12 LEU HB3 A 12 LEU HD1% 1.0 1.8 3.52 220 189 A 20 LEU HB3 A 17 ARG HA 1.0 1.8 4.09 221 190 A 19 MET HB2 A 16 VAL HA 1.0 1.8 4.81 222 191 A 19 MET HB2 A 15 ILE HG2% 1.0 1.8 4.93 223 192 A 19 MET HB2 A 20 LEU HG 1.0 1.8 4.98 224 193 A 9 PRO HD3 A 8 LEU HD2% 1.0 1.8 4.95 225 194 A 16 VAL HB A 12 LEU HA 1.0 1.8 4.38 226 195 A 16 VAL HB A 17 ARG HBx 1.0 1.8 5.84 227 195 A 16 VAL HB A 17 ARG HB3 1.0 1.8 5.84 228 196 A 16 VAL HB A 20 LEU HG 1.0 1.8 6.00 229 197 A 24 ARG HB3 A 24 ARG HDx 1.0 1.8 3.21 230 197 A 24 ARG HD3 A 24 ARG HB3 1.0 1.8 3.21 231 198 A 17 ARG HA A 17 ARG HBx 1.0 1.8 2.60 232 198 A 17 ARG HA A 17 ARG HB3 1.0 1.8 2.60 233 199 A 17 ARG HB3 A 16 VAL HG1% 1.0 1.8 5.51 234 199 A 16 VAL HG1% A 17 ARG HBx 1.0 1.8 5.51 235 200 A 24 ARG HG3 A 24 ARG HB2 1.0 1.8 2.58 236 201 A 16 VAL HA A 19 MET HG3 1.0 1.8 4.59 237 202 A 15 ILE HG2% A 19 MET HG2 1.0 1.8 3.54 238 203 A 18 ALA HB% A 19 MET HG3 1.0 1.8 4.64 239 204 A 15 ILE HG2% A 19 MET HG3 1.0 1.8 3.54 240 205 A 12 LEU HA A 15 ILE HG12 1.0 1.8 4.70 241 205 A 15 ILE HG13 A 12 LEU HA 1.0 1.8 4.70 242 206 A 15 ILE HA A 15 ILE HG12 1.0 1.8 3.27 243 206 A 15 ILE HG13 A 15 ILE HA 1.0 1.8 3.27 244 207 A 18 ALA HB% A 15 ILE HG12 1.0 1.8 4.24 245 207 A 18 ALA HB% A 15 ILE HG13 1.0 1.8 4.24 246 208 A 11 PHE HD% A 15 ILE HG12 1.0 1.8 6.00 247 208 A 15 ILE HG13 A 11 PHE HD% 1.0 1.8 6.00 248 209 A 11 PHE HD% A 9 PRO HG3 1.0 1.8 5.06 249 210 A 17 ARG HA A 17 ARG HG3 1.0 1.8 3.70 250 211 A 20 LEU HA A 20 LEU HG 1.0 1.8 3.40 251 212 A 20 LEU HG A 17 ARG HA 1.0 1.8 5.17 252 213 A 9 PRO HD3 A 8 LEU HG 1.0 2.3 5.00 253 214 A 19 MET HB3 A 20 LEU HG 1.0 1.8 4.59 254 215 A 8 LEU HA A 8 LEU HD1% 1.0 1.8 4.22 255 216 A 9 PRO HD3 A 8 LEU HD1% 1.0 1.8 4.48 256 217 A 20 LEU HA A 20 LEU HD1% 1.0 1.8 3.98 257 218 A 4 TYR HB2 A 8 LEU HD1% 1.0 1.8 3.52 258 219 A 4 TYR HD% A 8 LEU HD1% 1.0 1.8 5.36 259 220 A 4 TYR HD% A 8 LEU HD2% 1.0 1.8 5.36 260 221 A 4 TYR HB2 A 8 LEU HD2% 1.0 1.8 3.52 261 222 A 16 VAL HA A 16 VAL HG2% 1.0 1.8 3.21 262 223 A 17 ARG HB3 A 16 VAL HG2% 1.0 1.8 5.51 263 223 A 16 VAL HG2% A 17 ARG HBx 1.0 1.8 5.51 264 224 A 16 VAL HG2% A 12 LEU HB3 1.0 1.8 3.52 265 225 A 16 VAL HG2% A 19 MET HG2 1.0 1.8 5.16 266 226 A 16 VAL HG2% A 19 MET HG3 1.0 1.8 5.16 267 227 A 11 PHE HD% A 16 VAL HG2% 1.0 1.8 6.00 268 228 A 5 THR HG2% A 3 PHE HD% 1.0 1.8 5.41 269 229 A 5 THR HG2% A 4 TYR HD% 1.0 1.8 4.37 270 230 A 5 THR HG2% A 4 TYR HE% 1.0 1.8 6.00 271 231 A 19 MET HG2 A 16 VAL HG1% 1.0 1.8 5.16 272 232 A 16 VAL HG1% A 19 MET HG3 1.0 1.8 5.16 273 233 A 11 PHE HD% A 6 ILE HG2% 1.0 1.8 5.07 274 234 A 4 TYR HD% A 6 ILE HG2% 1.0 1.8 6.00 275 235 A 11 PHE HD% A 15 ILE HG2% 1.0 1.8 6.00 276 236 A 8 LEU HA A 6 ILE HG2% 1.0 1.8 4.79 277 237 A 6 ILE HG2% A 6 ILE HA 1.0 1.8 2.80 278 238 A 12 LEU HA A 15 ILE HG2% 1.0 1.8 3.52 279 239 A 15 ILE HA A 15 ILE HG2% 1.0 1.8 2.84 280 240 A 16 VAL HA A 15 ILE HG2% 1.0 1.8 3.69 281 241 A 18 ALA HB% A 15 ILE HG2% 1.0 1.8 3.55 282 242 A 11 PHE HB2 A 6 ILE HG2% 1.0 1.8 5.34 283 243 A 6 ILE HD1% A 11 PHE HD% 1.0 2.3 5.42 284 244 A 6 ILE HD1% A 3 PHE HD% 1.0 1.8 5.72 285 245 A 6 ILE HD1% A 4 TYR HD% 1.0 1.8 4.86 286 246 A 6 ILE HD1% A 4 TYR HE% 1.0 1.8 5.88 287 247 A 15 ILE HD1% A 11 PHE HD% 1.0 1.8 3.21 288 248 A 6 ILE HD1% A 4 TYR HA 1.0 1.8 4.35 289 249 A 6 ILE HD1% A 6 ILE HA 1.0 1.8 3.89 290 250 A 15 ILE HD1% A 12 LEU HA 1.0 1.8 3.16 291 251 A 6 ILE HD1% A 4 TYR HB2 1.0 1.8 4.46 292 252 A 15 ILE HB A 15 ILE HD1% 1.0 1.8 3.05 293 253 A 19 MET HA A 19 MET HE% 1.0 1.8 4.95 294 254 A 19 MET HE% A 16 VAL HA 1.0 1.8 3.30 295 255 A 18 ALA HB% A 15 ILE HA 1.0 1.8 2.87 296 256 A 18 ALA HB% A 16 VAL HA 1.0 1.8 5.26 297 257 A 18 ALA HB% A 17 ARG HDx 1.0 1.8 6.00 298 257 A 18 ALA HB% A 17 ARG HD3 1.0 1.8 6.00 299 258 A 18 ALA HB% A 19 MET HG2 1.0 1.8 4.64 300 259 A 18 ALA HB% A 19 MET HB2 1.0 1.8 4.63 301 260 A 6 ILE HD1% A 5 THR HB 1.0 1.8 5.51 302 261 A 16 VAL HA A 19 MET HG2 1.0 1.8 4.59 303 262 A 20 LEU HG A 16 VAL HA 1.0 1.8 4.92 304 263 A 16 VAL HA A 16 VAL HG1% 1.0 1.8 3.21 305 264 A 18 ALA HB% A 22 SER HBx 1.0 1.8 5.61 306 264 A 18 ALA HB% A 22 SER HB3 1.0 1.8 5.61 307 265 A 23 PHE HD% A 22 SER HBx 1.0 1.8 4.51 308 265 A 22 SER HB3 A 23 PHE HD% 1.0 1.8 4.51 309 266 A 9 PRO HA A 8 LEU HB3 1.0 1.8 6.00 310 267 A 5 THR HG2% A 5 THR HA 1.0 1.8 3.38 311 268 A 6 ILE HD1% A 5 THR HA 1.0 1.8 5.27 312 269 A 17 ARG HA A 17 ARG HG2 1.0 1.8 3.70 313 270 A 18 ALA HA A 17 ARG HA 1.0 1.8 4.84 314 271 A 11 PHE HA A 11 PHE HD% 1.0 1.8 3.42 315 272 A 23 PHE HD% A 23 PHE HA 1.0 1.8 3.00 316 273 A 3 PHE HD% A 3 PHE HA 1.0 1.8 3.81 317 274 A 4 TYR HD% A 4 TYR HA 1.0 1.8 3.95 318 275 A 4 TYR HA A 4 TYR HE% 1.0 1.8 5.89 319 276 A 11 PHE HA A 12 LEU HA 1.0 1.8 5.45 320 277 A 11 PHE HB3 A 11 PHE HA 1.0 1.8 2.84 321 278 A 11 PHE HA A 8 LEU HB3 1.0 1.8 6.00 322 279 A 19 MET HA A 19 MET HG2 1.0 1.8 3.78 323 280 A 19 MET HA A 19 MET HG3 1.0 1.8 3.78 324 281 A 18 ALA HB% A 19 MET HA 1.0 1.8 4.78 325 282 A 19 MET HA A 15 ILE HG2% 1.0 1.8 5.58 326 283 A 19 MET HA A 16 VAL HA 1.0 1.8 4.94 327 284 A 19 MET HA A 22 SER HBx 1.0 1.8 3.75 328 284 A 22 SER HB3 A 19 MET HA 1.0 1.8 3.75 329 285 A 4 TYR HD% A 10 LYS HA 1.0 1.8 5.63 330 286 A 4 TYR HE% A 10 LYS HA 1.0 1.8 5.24 331 287 A 23 PHE HB2 A 23 PHE HA 1.0 1.8 2.95 332 288 A 24 ARG HG2 A 23 PHE HA 1.0 1.8 5.74 333 289 A 20 LEU HA A 20 LEU HD2% 1.0 1.8 3.98 334 290 A 12 LEU HA A 12 LEU HG 1.0 1.8 4.03 335 291 A 20 LEU HA A 23 PHE HD% 1.0 1.8 4.14 336 292 A 11 PHE HD% A 12 LEU HA 1.0 1.8 4.82 337 293 A 19 MET HB2 A 20 LEU HA 1.0 1.8 5.52 338 294 A 19 MET HB3 A 20 LEU HA 1.0 1.8 5.14 339 295 A 18 ALA HA A 17 ARG HBx 1.0 1.8 4.05 340 295 A 18 ALA HA A 17 ARG HB3 1.0 1.8 4.05 341 296 A 18 ALA HA A 15 ILE HG2% 1.0 1.8 6.00 342 297 A 11 PHE HD% A 16 VAL HG1% 1.0 1.8 6.00 343 298 A 4 TYR HE% A 8 LEU HD1% 1.0 1.8 6.00 344 299 A 4 TYR HE% A 8 LEU HD2% 1.0 1.8 6.00 345 300 A 23 PHE HA A 22 SER HBx 1.0 1.8 4.11 346 300 A 22 SER HB3 A 23 PHE HA 1.0 1.8 4.11 347 301 A 20 LEU HA A 23 PHE HB2 1.0 1.8 5.60 348 302 A 20 LEU HA A 21 GLY HAx 1.0 1.8 4.55 349 302 A 21 GLY HA3 A 20 LEU HA 1.0 1.8 4.55 350 303 A 18 ALA HA A 21 GLY HAx 1.0 1.8 4.31 351 303 A 21 GLY HA3 A 18 ALA HA 1.0 1.8 4.31 352 304 A 18 ALA HA A 15 ILE HA 1.0 1.8 5.64 353 305 A 8 LEU HB2 A 9 PRO HD2 1.0 1.8 4.31 354 306 A 19 MET HE% A 15 ILE HA 1.0 1.8 5.41 355 307 A 13 GLY HA3 A 8 LEU HD1% 1.0 1.8 6.00 356 308 A 11 PHE HB3 A 15 ILE HD1% 1.0 1.8 6.00 357 309 A 16 VAL HB A 17 ARG HA 1.0 1.8 6.00 358 310 A 3 PHE H A 3 PHE HB2 1.0 1.8 3.24 359 310 A 3 PHE H A 3 PHE HB3 1.0 1.8 3.24 360 311 A 4 TYR H A 4 TYR HB3 1.0 1.8 3.58 361 311 A 4 TYR H A 4 TYR HB2 1.0 1.8 3.58 362 312 A 4 TYR HA A 6 ILE HG12 1.0 1.8 5.42 363 312 A 6 ILE HG13 A 4 TYR HA 1.0 1.8 5.42 364 313 A 5 THR H A 4 TYR HB3 1.0 1.8 3.54 365 313 A 5 THR H A 4 TYR HB2 1.0 1.8 3.54 366 314 A 5 THR HB A 4 TYR HB3 1.0 1.8 5.61 367 314 A 5 THR HB A 4 TYR HB2 1.0 1.8 5.61 368 315 A 5 THR HG2% A 4 TYR HB3 1.0 1.8 5.11 369 315 A 5 THR HG2% A 4 TYR HB2 1.0 1.8 5.11 370 316 A 6 ILE HB A 4 TYR HB3 1.0 1.8 5.81 371 316 A 6 ILE HB A 4 TYR HB2 1.0 1.8 5.81 372 317 A 6 ILE HG2% A 4 TYR HB3 1.0 1.8 4.37 373 317 A 6 ILE HG2% A 4 TYR HB2 1.0 1.8 4.37 374 318 A 4 TYR HB3 A 6 ILE HG12 1.0 1.8 1.56 375 318 A 6 ILE HG13 A 4 TYR HB3 1.0 1.8 1.56 376 318 A 6 ILE HG13 A 4 TYR HB2 1.0 1.8 1.56 377 318 A 4 TYR HB2 A 6 ILE HG12 1.0 1.8 1.56 378 319 A 6 ILE HD1% A 4 TYR HB3 1.0 1.8 3.60 379 319 A 6 ILE HD1% A 4 TYR HB2 1.0 1.8 3.60 380 320 A 8 LEU HG A 4 TYR HB3 1.0 1.8 5.56 381 320 A 8 LEU HG A 4 TYR HB2 1.0 1.8 5.56 382 321 A 4 TYR HB2 A 8 LEU HD1% 1.0 1.8 1.56 383 321 A 4 TYR HB3 A 8 LEU HD1% 1.0 1.8 1.56 384 321 A 8 LEU HD2% A 4 TYR HB3 1.0 1.8 1.56 385 321 A 4 TYR HB2 A 8 LEU HD2% 1.0 1.8 1.56 386 322 A 10 LYS HA A 4 TYR HB3 1.0 1.8 5.81 387 322 A 10 LYS HA A 4 TYR HB2 1.0 1.8 5.81 388 323 A 4 TYR HD% A 6 ILE HG12 1.0 1.8 5.81 389 323 A 4 TYR HD% A 6 ILE HG13 1.0 1.8 5.81 390 324 A 6 ILE H A 6 ILE HG12 1.0 1.8 3.84 391 324 A 6 ILE H A 6 ILE HG13 1.0 1.8 3.84 392 325 A 6 ILE HA A 6 ILE HG12 1.0 1.8 3.01 393 325 A 6 ILE HG13 A 6 ILE HA 1.0 1.8 3.01 394 326 A 6 ILE HG2% A 6 ILE HG12 1.0 1.8 3.06 395 326 A 6 ILE HG13 A 6 ILE HG2% 1.0 1.8 3.06 396 327 A 7 LYS H A 6 ILE HG12 1.0 1.8 4.69 397 327 A 6 ILE HG13 A 7 LYS H 1.0 1.8 4.69 398 328 A 8 LEU H A 6 ILE HG12 1.0 1.8 5.33 399 328 A 6 ILE HG13 A 8 LEU H 1.0 1.8 5.33 400 329 A 8 LEU HB2 A 8 LEU HD1% 1.0 1.8 2.67 401 329 A 8 LEU HB2 A 8 LEU HD2% 1.0 1.8 2.67 402 330 A 9 PRO HA A 8 LEU HD1% 1.0 1.8 5.06 403 330 A 9 PRO HA A 8 LEU HD2% 1.0 1.8 5.06 404 331 A 9 PRO HD3 A 8 LEU HD1% 1.0 1.8 4.95 405 332 A 9 PRO HB2 A 8 LEU HD1% 1.0 1.8 4.95 406 333 A 9 PRO HD2 A 8 LEU HD1% 1.0 1.8 3.84 407 333 A 9 PRO HD2 A 8 LEU HD2% 1.0 1.8 3.84 408 334 A 11 PHE H A 8 LEU HD1% 1.0 1.8 5.61 409 334 A 11 PHE H A 8 LEU HD2% 1.0 1.8 5.61 410 335 A 11 PHE HB3 A 8 LEU HD1% 1.0 1.8 4.32 411 335 A 11 PHE HB3 A 8 LEU HD2% 1.0 1.8 4.32 412 336 A 11 PHE HB2 A 8 LEU HD1% 1.0 1.8 3.95 413 336 A 11 PHE HB2 A 8 LEU HD2% 1.0 1.8 3.95 414 337 A 12 LEU H A 8 LEU HD1% 1.0 1.8 4.04 415 337 A 12 LEU H A 8 LEU HD2% 1.0 1.8 4.04 416 338 A 13 GLY HA3 A 8 LEU HD1% 1.0 1.8 4.67 417 338 A 13 GLY HA3 A 8 LEU HD2% 1.0 1.8 4.67 418 339 A 11 PHE HA A 12 LEU HB3 1.0 1.8 5.81 419 339 A 11 PHE HA A 12 LEU HB2 1.0 1.8 5.81 420 340 A 11 PHE HD% A 12 LEU HB3 1.0 1.8 4.87 421 340 A 11 PHE HD% A 12 LEU HB2 1.0 1.8 4.87 422 341 A 11 PHE HD% A 12 LEU HD1% 1.0 1.8 3.25 423 341 A 11 PHE HD% A 12 LEU HD2% 1.0 1.8 3.25 424 342 A 11 PHE HD% A 16 VAL HG1% 1.0 1.8 5.25 425 342 A 11 PHE HD% A 16 VAL HG2% 1.0 1.8 5.25 426 343 A 12 LEU H A 12 LEU HB3 1.0 1.8 3.34 427 343 A 12 LEU H A 12 LEU HB2 1.0 1.8 3.34 428 344 A 12 LEU HA A 12 LEU HD1% 1.0 1.8 3.25 429 344 A 12 LEU HA A 12 LEU HD2% 1.0 1.8 3.25 430 345 A 12 LEU HA A 16 VAL HG1% 1.0 1.8 3.80 431 345 A 12 LEU HA A 16 VAL HG2% 1.0 1.8 3.80 432 346 A 13 GLY H A 12 LEU HB3 1.0 1.8 3.23 433 346 A 13 GLY H A 12 LEU HB2 1.0 1.8 3.23 434 347 A 12 LEU HB3 A 16 VAL HG1% 1.0 1.8 1.57 435 347 A 12 LEU HB2 A 16 VAL HG1% 1.0 1.8 1.57 436 347 A 16 VAL HG2% A 12 LEU HB3 1.0 1.8 1.57 437 347 A 12 LEU HB2 A 16 VAL HG2% 1.0 1.8 1.57 438 348 A 12 LEU HB3 A 16 VAL HG1% 1.0 1.8 3.52 439 349 A 13 GLY HA3 A 12 LEU HD1% 1.0 1.8 5.88 440 349 A 13 GLY HA3 A 12 LEU HD2% 1.0 1.8 5.88 441 350 A 16 VAL H A 12 LEU HD1% 1.0 1.8 5.04 442 350 A 16 VAL H A 12 LEU HD2% 1.0 1.8 5.04 443 351 A 13 GLY H A 16 VAL HG1% 1.0 1.8 4.64 444 351 A 13 GLY H A 16 VAL HG2% 1.0 1.8 4.64 445 352 A 13 GLY HA3 A 16 VAL HG1% 1.0 1.8 4.13 446 352 A 13 GLY HA3 A 16 VAL HG2% 1.0 1.8 4.13 447 353 A 13 GLY HA2 A 16 VAL HG1% 1.0 1.8 4.18 448 353 A 13 GLY HA2 A 16 VAL HG2% 1.0 1.8 4.18 449 354 A 14 GLY H A 16 VAL HG1% 1.0 1.8 5.75 450 354 A 14 GLY H A 16 VAL HG2% 1.0 1.8 5.75 451 355 A 15 ILE H A 16 VAL HG1% 1.0 1.8 4.13 452 355 A 15 ILE H A 16 VAL HG2% 1.0 1.8 4.13 453 356 A 15 ILE HA A 19 MET HG3 1.0 1.8 5.48 454 356 A 15 ILE HA A 19 MET HG2 1.0 1.8 5.48 455 357 A 15 ILE HB A 16 VAL HG1% 1.0 1.8 4.81 456 357 A 15 ILE HB A 16 VAL HG2% 1.0 1.8 4.81 457 358 A 15 ILE HG2% A 19 MET HG3 1.0 1.8 3.03 458 358 A 15 ILE HG2% A 19 MET HG2 1.0 1.8 3.03 459 359 A 15 ILE HD1% A 19 MET HG3 1.0 1.8 5.81 460 359 A 15 ILE HD1% A 19 MET HG2 1.0 1.8 5.81 461 360 A 16 VAL H A 16 VAL HG1% 1.0 1.8 2.84 462 360 A 16 VAL H A 16 VAL HG2% 1.0 1.8 2.84 463 361 A 16 VAL HA A 16 VAL HG1% 1.0 1.8 2.48 464 361 A 16 VAL HA A 16 VAL HG2% 1.0 1.8 2.48 465 362 A 16 VAL HA A 19 MET HG3 1.0 1.8 3.88 466 362 A 16 VAL HA A 19 MET HG2 1.0 1.8 3.88 467 363 A 17 ARG H A 16 VAL HG1% 1.0 1.8 3.64 468 363 A 17 ARG H A 16 VAL HG2% 1.0 1.8 3.64 469 364 A 17 ARG HA A 16 VAL HG1% 1.0 1.8 3.64 470 364 A 17 ARG HA A 16 VAL HG2% 1.0 1.8 3.64 471 365 A 16 VAL HG1% A 17 ARG HDx 1.0 1.8 4.23 472 365 A 16 VAL HG2% A 17 ARG HDx 1.0 1.8 4.23 473 365 A 17 ARG HD3 A 16 VAL HG1% 1.0 1.8 4.23 474 365 A 17 ARG HD3 A 16 VAL HG2% 1.0 1.8 4.23 475 366 A 18 ALA H A 16 VAL HG1% 1.0 1.8 5.92 476 366 A 18 ALA H A 16 VAL HG2% 1.0 1.8 5.92 477 367 A 19 MET H A 16 VAL HG1% 1.0 1.8 5.46 478 367 A 19 MET H A 16 VAL HG2% 1.0 1.8 5.46 479 368 A 16 VAL HG2% A 19 MET HG3 1.0 1.8 2.74 480 368 A 19 MET HG2 A 16 VAL HG1% 1.0 1.8 2.74 481 368 A 16 VAL HG2% A 19 MET HG2 1.0 1.8 2.74 482 368 A 16 VAL HG1% A 19 MET HG3 1.0 1.8 2.74 483 369 A 20 LEU HG A 16 VAL HG1% 1.0 1.8 2.93 484 369 A 20 LEU HG A 16 VAL HG2% 1.0 1.8 2.93 485 370 A 17 ARG HA A 17 ARG HG3 1.0 1.8 3.03 486 370 A 17 ARG HA A 17 ARG HG2 1.0 1.8 3.03 487 371 A 17 ARG HA A 20 LEU HD1% 1.0 1.8 4.36 488 371 A 17 ARG HA A 20 LEU HD2% 1.0 1.8 4.36 489 372 A 17 ARG HBx A 20 LEU HD1% 1.0 1.8 5.92 490 372 A 17 ARG HB3 A 20 LEU HD1% 1.0 1.8 5.92 491 372 A 20 LEU HD2% A 17 ARG HBx 1.0 1.8 5.92 492 372 A 17 ARG HB3 A 20 LEU HD2% 1.0 1.8 5.92 493 373 A 18 ALA H A 19 MET HG3 1.0 1.8 5.33 494 373 A 18 ALA H A 19 MET HG2 1.0 1.8 5.33 495 374 A 18 ALA HB% A 19 MET HG3 1.0 1.8 3.83 496 374 A 18 ALA HB% A 19 MET HG2 1.0 1.8 3.83 497 375 A 19 MET H A 19 MET HG3 1.0 1.8 3.18 498 375 A 19 MET H A 19 MET HG2 1.0 1.8 3.18 499 376 A 19 MET HA A 19 MET HG3 1.0 1.8 2.94 500 376 A 19 MET HA A 19 MET HG2 1.0 1.8 2.94 501 377 A 19 MET HA A 20 LEU HD1% 1.0 1.8 5.83 502 377 A 19 MET HA A 20 LEU HD2% 1.0 1.8 5.83 503 378 A 19 MET HB3 A 20 LEU HD1% 1.0 1.8 3.79 504 378 A 19 MET HB3 A 20 LEU HD2% 1.0 1.8 3.79 505 379 A 19 MET HB2 A 20 LEU HD1% 1.0 1.8 5.12 506 379 A 19 MET HB2 A 20 LEU HD2% 1.0 1.8 5.12 507 380 A 19 MET HE% A 19 MET HG3 1.0 1.8 3.50 508 380 A 19 MET HE% A 19 MET HG2 1.0 1.8 3.50 509 381 A 20 LEU H A 19 MET HG3 1.0 1.8 4.46 510 381 A 20 LEU H A 19 MET HG2 1.0 1.8 4.46 511 382 A 20 LEU HG A 19 MET HG3 1.0 1.8 5.46 512 382 A 20 LEU HG A 19 MET HG2 1.0 1.8 5.46 513 383 A 21 GLY H A 19 MET HG3 1.0 1.8 5.73 514 383 A 21 GLY H A 19 MET HG2 1.0 1.8 5.73 515 384 A 20 LEU H A 20 LEU HD1% 1.0 1.8 3.85 516 384 A 20 LEU H A 20 LEU HD2% 1.0 1.8 3.85 517 385 A 20 LEU HA A 20 LEU HD1% 1.0 1.8 2.54 518 385 A 20 LEU HA A 20 LEU HD2% 1.0 1.8 2.54 519 386 A 20 LEU HB3 A 20 LEU HD1% 1.0 1.8 2.81 520 386 A 20 LEU HB3 A 20 LEU HD2% 1.0 1.8 2.81 521 387 A 21 GLY H A 20 LEU HD1% 1.0 1.8 4.85 522 387 A 21 GLY H A 20 LEU HD2% 1.0 1.8 4.85 523 388 A 20 LEU HD2% A 21 GLY HAx 1.0 1.8 5.92 524 388 A 20 LEU HD1% A 21 GLY HAx 1.0 1.8 5.92 525 388 A 21 GLY HA3 A 20 LEU HD1% 1.0 1.8 5.92 526 388 A 21 GLY HA3 A 20 LEU HD2% 1.0 1.8 5.92 527 389 A 22 SER H A 20 LEU HD1% 1.0 1.8 5.75 528 389 A 22 SER H A 20 LEU HD2% 1.0 1.8 5.75 529 390 A 23 PHE HB2 A 20 LEU HD1% 1.0 1.8 5.36 530 390 A 23 PHE HB2 A 20 LEU HD2% 1.0 1.8 5.36 531 391 A 23 PHE HD% A 20 LEU HD1% 1.0 1.8 4.62 532 391 A 23 PHE HD% A 20 LEU HD2% 1.0 1.8 4.62 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 12 LEU C A 13 GLY N A 13 GLY CA A 13 GLY C 1.0 -72.6 -52.6 PHI 2 2 A 13 GLY N A 13 GLY CA A 13 GLY C A 14 GLY N 1.0 -53.4 -27.6 PSI 3 3 A 13 GLY C A 14 GLY N A 14 GLY CA A 14 GLY C 1.0 -81.2 -45.9 PHI 4 4 A 14 GLY N A 14 GLY CA A 14 GLY C A 15 ILE N 1.0 -59.2 -25.4 PSI 5 5 A 14 GLY C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -75.6 -55.6 PHI 6 6 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 VAL N 1.0 -56.9 -25.6 PSI 7 7 A 15 ILE C A 16 VAL N A 16 VAL CA A 16 VAL C 1.0 -73.7 -53.7 PHI 8 8 A 16 VAL N A 16 VAL CA A 16 VAL C A 17 ARG N 1.0 -56.7 -31.1 PSI 9 9 A 16 VAL C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -71.7 -51.7 PHI 10 10 A 17 ARG N A 17 ARG CA A 17 ARG C A 18 ALA N 1.0 -51.5 -31.5 PSI 11 11 A 17 ARG C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -77.0 -57.0 PHI 12 12 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 MET N 1.0 -47.9 -27.5 PSI 13 13 A 18 ALA C A 19 MET N A 19 MET CA A 19 MET C 1.0 -74.4 -54.4 PHI 14 14 A 19 MET N A 19 MET CA A 19 MET C A 20 LEU N 1.0 -51.0 -28.1 PSI 15 15 A 19 MET C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -93.8 -47.4 PHI 16 16 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 GLY N 1.0 -54.2 -21.2 PSI 17 17 A 20 LEU C A 21 GLY N A 21 GLY CA A 21 GLY C 1.0 -74.6 -54.1 PHI 18 18 A 21 GLY N A 21 GLY CA A 21 GLY C A 22 SER N 1.0 -51.1 -4.7 PSI 19 19 A 21 GLY C A 22 SER N A 22 SER CA A 22 SER C 1.0 -94.3 -54.3 PHI 20 20 A 22 SER N A 22 SER CA A 22 SER C A 23 PHE N 1.0 -59.6 -1.3 PSI stop_ save_