data_nef_c19833_2mlv 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 19832 PDB 2MLV 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 THR middle . . 4 A 4 ILE middle . . 5 A 5 LEU middle . . 6 A 6 ARG middle . . 7 A 7 PHE middle . . 8 A 8 VAL middle . . 9 A 9 ALA middle . . 10 A 10 GLY middle . false 11 A 11 TYR middle . . 12 A 12 ASP middle . . 13 A 13 ILE middle . . 14 A 14 ALA middle . . 15 A 15 SER middle . . 16 A 16 HIS middle . . 17 A 17 LYS middle . . 18 A 18 LYS middle . . 19 A 19 LYS middle . . 20 A 20 THR middle . . 21 A 21 GLY middle . false 22 A 22 GLY middle . false 23 A 23 TYR middle . . 24 A 24 PRO middle . false 25 A 25 TRP middle . . 26 A 26 GLU middle . . 27 A 27 ARG middle . . 28 A 28 GLY middle . false 29 A 29 LYS middle . . 30 A 30 ALA 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 4.254 0.03 A 1 MET HB2 H 1 2.251 0.03 A 1 MET HB3 H 1 2.304 0.03 A 1 MET HE% H 1 2.164 0.03 A 1 MET HG2 H 1 2.715 0.03 A 1 MET HG3 H 1 2.715 0.03 A 1 MET CA C 13 55.440 0.10 A 1 MET CB C 13 33.277 0.10 A 1 MET CE C 13 17.101 0.10 A 1 MET CG C 13 31.310 0.10 A 2 LYS H H 1 9.055 0.03 A 2 LYS HA H 1 4.398 0.03 A 2 LYS HB2 H 1 2.024 0.03 A 2 LYS HB3 H 1 1.917 0.03 A 2 LYS HD2 H 1 1.801 0.03 A 2 LYS HD3 H 1 1.801 0.03 A 2 LYS HE2 H 1 3.064 0.03 A 2 LYS HE3 H 1 3.064 0.03 A 2 LYS HG2 H 1 1.593 0.03 A 2 LYS HG3 H 1 1.652 0.03 A 2 LYS HZ1 H 1 7.785 0.03 A 2 LYS HZ2 H 1 7.785 0.03 A 2 LYS HZ3 H 1 7.785 0.03 A 2 LYS CA C 13 57.978 0.10 A 2 LYS CB C 13 33.120 0.10 A 2 LYS CD C 13 29.374 0.10 A 2 LYS CG C 13 25.267 0.10 A 2 LYS N N 15 124.507 0.10 A 3 THR H H 1 8.487 0.03 A 3 THR HA H 1 4.228 0.03 A 3 THR HB H 1 4.356 0.03 A 3 THR HG2% H 1 1.315 0.03 A 3 THR CA C 13 64.622 0.10 A 3 THR CB C 13 69.037 0.10 A 3 THR CG2 C 13 22.192 0.10 A 3 THR N N 15 116.151 0.10 A 4 ILE H H 1 8.561 0.03 A 4 ILE HA H 1 4.120 0.03 A 4 ILE HB H 1 2.097 0.03 A 4 ILE HD1% H 1 1.003 0.03 A 4 ILE HG12 H 1 1.698 0.03 A 4 ILE HG13 H 1 1.389 0.03 A 4 ILE HG2% H 1 1.057 0.03 A 4 ILE CA C 13 63.805 0.10 A 4 ILE CB C 13 38.132 0.10 A 4 ILE CD1 C 13 13.700 0.10 A 4 ILE CG1 C 13 28.781 0.10 A 4 ILE CG2 C 13 18.068 0.10 A 4 ILE N N 15 121.254 0.10 A 5 LEU H H 1 7.944 0.03 A 5 LEU HA H 1 4.198 0.03 A 5 LEU HB2 H 1 1.902 0.03 A 5 LEU HB3 H 1 1.677 0.03 A 5 LEU HD1% H 1 1.061 0.03 A 5 LEU HD2% H 1 0.973 0.03 A 5 LEU HG H 1 1.830 0.03 A 5 LEU CA C 13 57.421 0.10 A 5 LEU CB C 13 41.267 0.10 A 5 LEU CD1 C 13 25.412 0.10 A 5 LEU CD2 C 13 23.345 0.10 A 5 LEU N N 15 119.718 0.10 A 6 ARG H H 1 8.013 0.03 A 6 ARG HA H 1 4.143 0.03 A 6 ARG HB2 H 1 1.933 0.03 A 6 ARG HB3 H 1 1.933 0.03 A 6 ARG HD2 H 1 3.218 0.03 A 6 ARG HD3 H 1 3.218 0.03 A 6 ARG HE H 1 7.454 0.03 A 6 ARG HG2 H 1 1.621 0.03 A 6 ARG HG3 H 1 1.621 0.03 A 6 ARG CA C 13 58.865 0.10 A 6 ARG CB C 13 29.861 0.10 A 6 ARG CD C 13 43.576 0.10 A 6 ARG CG C 13 27.408 0.10 A 6 ARG N N 15 118.685 0.10 A 6 ARG NE N 15 85.44 0.10 A 7 PHE H H 1 7.950 0.03 A 7 PHE HA H 1 4.496 0.03 A 7 PHE HB2 H 1 3.353 0.03 A 7 PHE HB3 H 1 3.292 0.03 A 7 PHE HDx H 1 7.365 0.03 A 7 PHE HDy H 1 7.365 0.03 A 7 PHE HEx H 1 7.359 0.03 A 7 PHE HEy H 1 7.359 0.03 A 7 PHE HZ H 1 7.314 0.03 A 7 PHE CB C 13 39.337 0.10 A 7 PHE CDx C 13 131.773 0.10 A 7 PHE CDy C 13 131.773 0.10 A 7 PHE CEx C 13 131.308 0.10 A 7 PHE CEy C 13 131.308 0.10 A 7 PHE CZ C 13 129.955 0.10 A 7 PHE N N 15 118.774 0.10 A 8 VAL H H 1 8.014 0.03 A 8 VAL HA H 1 3.906 0.03 A 8 VAL HB H 1 2.346 0.03 A 8 VAL HG1% H 1 1.078 0.03 A 8 VAL HG2% H 1 1.178 0.03 A 8 VAL CA C 13 65.115 0.10 A 8 VAL CB C 13 32.073 0.10 A 8 VAL CG1 C 13 21.925 0.10 A 8 VAL CG2 C 13 22.110 0.10 A 8 VAL N N 15 116.545 0.10 A 9 ALA H H 1 8.087 0.03 A 9 ALA HA H 1 4.241 0.03 A 9 ALA HB% H 1 1.557 0.03 A 9 ALA CA C 13 54.638 0.10 A 9 ALA CB C 13 18.647 0.10 A 9 ALA N N 15 121.564 0.10 A 10 GLY H H 1 8.143 0.03 A 10 GLY HA2 H 1 3.997 0.03 A 10 GLY HA3 H 1 3.997 0.03 A 10 GLY CA C 13 45.414 0.10 A 10 GLY N N 15 104.760 0.10 A 11 TYR H H 1 8.010 0.03 A 11 TYR HA H 1 4.335 0.03 A 11 TYR HB2 H 1 3.126 0.03 A 11 TYR HB3 H 1 2.970 0.03 A 11 TYR HDx H 1 7.084 0.03 A 11 TYR HDy H 1 7.084 0.03 A 11 TYR HEx H 1 6.800 0.03 A 11 TYR HEy H 1 6.800 0.03 A 11 TYR CA C 13 60.132 0.10 A 11 TYR CDx C 13 132.910 0.10 A 11 TYR CDy C 13 132.910 0.10 A 11 TYR CEx C 13 118.175 0.10 A 11 TYR CEy C 13 118.175 0.10 A 11 TYR N N 15 121.166 0.10 A 12 ASP H H 1 8.416 0.03 A 12 ASP HA H 1 4.624 0.03 A 12 ASP HB2 H 1 3.040 0.03 A 12 ASP HB3 H 1 2.869 0.03 A 12 ASP CA C 13 56.506 0.10 A 12 ASP CB C 13 38.239 0.10 A 12 ASP N N 15 119.461 0.10 A 13 ILE H H 1 8.155 0.03 A 13 ILE HA H 1 4.002 0.03 A 13 ILE HB H 1 2.006 0.03 A 13 ILE HD1% H 1 0.963 0.03 A 13 ILE HG12 H 1 1.288 0.03 A 13 ILE HG13 H 1 1.695 0.03 A 13 ILE HG2% H 1 1.016 0.03 A 13 ILE CA C 13 63.328 0.10 A 13 ILE CB C 13 38.612 0.10 A 13 ILE CD1 C 13 13.533 0.10 A 13 ILE CG1 C 13 28.398 0.10 A 13 ILE CG2 C 13 17.777 0.10 A 13 ILE N N 15 120.538 0.10 A 14 ALA H H 1 8.276 0.03 A 14 ALA HA H 1 4.249 0.03 A 14 ALA HB% H 1 1.481 0.03 A 14 ALA CA C 13 53.920 0.10 A 14 ALA CB C 13 18.985 0.10 A 14 ALA N N 15 123.708 0.10 A 15 SER H H 1 8.068 0.03 A 15 SER HA H 1 4.306 0.03 A 15 SER HB2 H 1 3.795 0.03 A 15 SER HB3 H 1 3.887 0.03 A 15 SER CA C 13 59.618 0.10 A 15 SER CB C 13 63.522 0.10 A 15 SER N N 15 112.747 0.10 A 16 HIS H H 1 8.161 0.03 A 16 HIS HA H 1 4.707 0.03 A 16 HIS HB2 H 1 3.449 0.03 A 16 HIS HB3 H 1 3.274 0.03 A 16 HIS HD2 H 1 7.408 0.03 A 16 HIS HE1 H 1 8.689 0.03 A 16 HIS CB C 13 28.688 0.10 A 16 HIS CD2 C 13 120.330 0.10 A 16 HIS CE1 C 13 136.524 0.10 A 16 HIS N N 15 119.224 0.10 A 17 LYS H H 1 8.083 0.03 A 17 LYS HA H 1 4.342 0.03 A 17 LYS HB2 H 1 1.917 0.03 A 17 LYS HB3 H 1 1.832 0.03 A 17 LYS HD2 H 1 1.740 0.03 A 17 LYS HD3 H 1 1.740 0.03 A 17 LYS HE2 H 1 3.050 0.03 A 17 LYS HE3 H 1 3.050 0.03 A 17 LYS HG2 H 1 1.511 0.03 A 17 LYS HG3 H 1 1.511 0.03 A 17 LYS HZ1 H 1 7.629 0.03 A 17 LYS HZ2 H 1 7.629 0.03 A 17 LYS HZ3 H 1 7.629 0.03 A 17 LYS CA C 13 56.868 0.10 A 17 LYS N N 15 120.978 0.10 A 18 LYS H H 1 8.235 0.03 A 18 LYS HA H 1 4.345 0.03 A 18 LYS HB2 H 1 1.886 0.03 A 18 LYS HB3 H 1 1.818 0.03 A 18 LYS HD2 H 1 1.735 0.03 A 18 LYS HD3 H 1 1.735 0.03 A 18 LYS HE2 H 1 3.028 0.03 A 18 LYS HE3 H 1 3.028 0.03 A 18 LYS HG2 H 1 1.487 0.03 A 18 LYS HG3 H 1 1.487 0.03 A 18 LYS HZ1 H 1 7.620 0.03 A 18 LYS HZ2 H 1 7.620 0.03 A 18 LYS HZ3 H 1 7.620 0.03 A 18 LYS CA C 13 56.667 0.10 A 18 LYS N N 15 121.764 0.10 A 19 LYS H H 1 8.397 0.03 A 19 LYS HA H 1 4.415 0.03 A 19 LYS HB2 H 1 1.920 0.03 A 19 LYS HB3 H 1 1.841 0.03 A 19 LYS HD2 H 1 1.733 0.03 A 19 LYS HD3 H 1 1.733 0.03 A 19 LYS HE2 H 1 3.052 0.03 A 19 LYS HE3 H 1 3.052 0.03 A 19 LYS HG2 H 1 1.513 0.03 A 19 LYS HG3 H 1 1.513 0.03 A 19 LYS HZ1 H 1 7.618 0.03 A 19 LYS HZ2 H 1 7.618 0.03 A 19 LYS HZ3 H 1 7.618 0.03 A 19 LYS CA C 13 56.747 0.10 A 19 LYS CB C 13 33.447 0.10 A 19 LYS CD C 13 29.182 0.10 A 19 LYS N N 15 122.420 0.10 A 20 THR H H 1 8.093 0.03 A 20 THR HA H 1 4.417 0.03 A 20 THR HB H 1 4.303 0.03 A 20 THR HG2% H 1 1.240 0.03 A 20 THR CA C 13 61.883 0.10 A 20 THR CB C 13 69.985 0.10 A 20 THR CG2 C 13 21.683 0.10 A 20 THR N N 15 114.054 0.10 A 21 GLY H H 1 8.360 0.03 A 21 GLY HA2 H 1 4.031 0.03 A 21 GLY HA3 H 1 3.969 0.03 A 21 GLY CA C 13 45.340 0.10 A 21 GLY N N 15 110.822 0.10 A 22 GLY H H 1 8.144 0.03 A 22 GLY HA2 H 1 3.864 0.03 A 22 GLY HA3 H 1 3.864 0.03 A 22 GLY CA C 13 44.858 0.10 A 22 GLY N N 15 107.828 0.10 A 23 TYR H H 1 7.871 0.03 A 23 TYR HA H 1 4.518 0.03 A 23 TYR HB2 H 1 1.998 0.03 A 23 TYR HB3 H 1 1.845 0.03 A 23 TYR HDx H 1 7.001 0.03 A 23 TYR HDy H 1 7.001 0.03 A 23 TYR HEx H 1 6.908 0.03 A 23 TYR HEy H 1 6.908 0.03 A 23 TYR CDx C 13 133.023 0.10 A 23 TYR CDy C 13 133.023 0.10 A 23 TYR CEx C 13 118.253 0.10 A 23 TYR CEy C 13 118.253 0.10 A 23 TYR N N 15 119.305 0.10 A 24 PRO HA H 1 4.391 0.03 A 24 PRO HB2 H 1 2.374 0.03 A 24 PRO HB3 H 1 1.957 0.03 A 24 PRO HD2 H 1 3.343 0.03 A 24 PRO HD3 H 1 3.851 0.03 A 24 PRO HG2 H 1 2.124 0.03 A 24 PRO HG3 H 1 1.988 0.03 A 24 PRO CA C 13 64.648 0.10 A 24 PRO CB C 13 31.704 0.10 A 24 PRO CD C 13 50.370 0.10 A 24 PRO CG C 13 27.677 0.10 A 25 TRP H H 1 6.927 0.03 A 25 TRP HA H 1 4.390 0.03 A 25 TRP HB2 H 1 3.535 0.03 A 25 TRP HB3 H 1 3.263 0.03 A 25 TRP HD1 H 1 7.318 0.03 A 25 TRP HE1 H 1 10.728 0.03 A 25 TRP HE3 H 1 7.532 0.03 A 25 TRP HH2 H 1 6.985 0.03 A 25 TRP HZ2 H 1 7.162 0.03 A 25 TRP HZ3 H 1 7.072 0.03 A 25 TRP CB C 13 28.629 0.10 A 25 TRP CD1 C 13 127.609 0.10 A 25 TRP CE3 C 13 119.629 0.10 A 25 TRP CH2 C 13 124.192 0.10 A 25 TRP CZ2 C 13 115.402 0.10 A 25 TRP CZ3 C 13 121.569 0.10 A 25 TRP N N 15 113.569 0.10 A 25 TRP NE1 N 15 132.34 0.10 A 26 GLU H H 1 7.657 0.03 A 26 GLU HA H 1 4.469 0.03 A 26 GLU HB2 H 1 1.985 0.03 A 26 GLU HB3 H 1 2.164 0.03 A 26 GLU HG2 H 1 2.442 0.03 A 26 GLU HG3 H 1 2.208 0.03 A 26 GLU CA C 13 55.878 0.10 A 26 GLU CB C 13 28.941 0.10 A 26 GLU CG C 13 33.450 0.10 A 26 GLU N N 15 120.107 0.10 A 27 ARG H H 1 8.164 0.03 A 27 ARG HA H 1 4.365 0.03 A 27 ARG HB2 H 1 1.970 0.03 A 27 ARG HB3 H 1 1.852 0.03 A 27 ARG HD2 H 1 3.258 0.03 A 27 ARG HD3 H 1 3.258 0.03 A 27 ARG HE H 1 7.403 0.03 A 27 ARG HG2 H 1 1.723 0.03 A 27 ARG HG3 H 1 1.723 0.03 A 27 ARG CA C 13 56.543 0.10 A 27 ARG CB C 13 30.906 0.10 A 27 ARG CD C 13 43.557 0.10 A 27 ARG CG C 13 27.290 0.10 A 27 ARG N N 15 120.913 0.10 A 27 ARG NE N 15 85.32 0.10 A 28 GLY H H 1 8.487 0.03 A 28 GLY HA2 H 1 4.018 0.03 A 28 GLY HA3 H 1 4.018 0.03 A 28 GLY CA C 13 45.470 0.10 A 28 GLY N N 15 109.371 0.10 A 29 LYS H H 1 8.116 0.03 A 29 LYS HA H 1 4.417 0.03 A 29 LYS HB2 H 1 1.924 0.03 A 29 LYS HB3 H 1 1.823 0.03 A 29 LYS HD2 H 1 1.743 0.03 A 29 LYS HD3 H 1 1.743 0.03 A 29 LYS HE2 H 1 3.059 0.03 A 29 LYS HE3 H 1 3.059 0.03 A 29 LYS HG2 H 1 1.495 0.03 A 29 LYS HG3 H 1 1.495 0.03 A 29 LYS HZ1 H 1 7.615 0.03 A 29 LYS HZ2 H 1 7.615 0.03 A 29 LYS HZ3 H 1 7.615 0.03 A 29 LYS CA C 13 56.055 0.10 A 29 LYS CB C 13 33.128 0.10 A 29 LYS N N 15 120.511 0.10 A 30 ALA H H 1 8.326 0.03 A 30 ALA HA H 1 4.355 0.03 A 30 ALA HB% H 1 1.471 0.03 A 30 ALA CA C 13 52.050 0.10 A 30 ALA CB C 13 19.347 0.10 A 30 ALA N N 15 126.456 0.10 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 24 PRO HD2 A 25 TRP H 1.0 . 3.43 2 2 A 25 TRP HB3 A 25 TRP HD1 1.0 . 3.63 3 3 A 25 TRP HB3 A 25 TRP HE3 1.0 . 4.20 4 4 A 25 TRP HE3 A 25 TRP HB2 1.0 . 3.36 5 5 A 25 TRP HE3 A 26 GLU HA 1.0 . 3.63 6 6 A 25 TRP HE3 A 26 GLU HB2 1.0 . 3.80 7 7 A 26 GLU HB2 A 26 GLU H 1.0 . 3.97 8 8 A 5 LEU H A 5 LEU HB2 1.0 . 3.68 9 9 A 5 LEU H A 3 THR HA 1.0 . 3.08 10 10 A 23 TYR H A 22 GLY HA2 1.0 . 2.73 11 10 A 22 GLY HA3 A 23 TYR H 1.0 . 2.73 12 11 A 5 LEU H A 4 ILE HG2% 1.0 . 3.40 13 12 A 5 LEU H A 8 VAL HG2% 1.0 . 4.86 14 13 A 5 LEU H A 3 THR HG2% 1.0 . 4.54 15 14 A 11 TYR HB2 A 12 ASP H 1.0 . 3.82 16 15 A 12 ASP H A 11 TYR HB3 1.0 . 3.37 17 16 A 8 VAL HG2% A 8 VAL H 1.0 . 2.85 18 17 A 12 ASP H A 9 ALA HA 1.0 . 3.99 19 18 A 11 TYR HB2 A 11 TYR H 1.0 . 3.13 20 19 A 16 HIS H A 16 HIS HB2 1.0 . 3.46 21 20 A 15 SER H A 15 SER HB3 1.0 . 3.80 22 21 A 15 SER H A 15 SER HB2 1.0 . 3.80 23 22 A 16 HIS H A 15 SER HB3 1.0 . 4.25 24 23 A 16 HIS H A 15 SER HB2 1.0 . 4.25 25 24 A 17 LYS H A 16 HIS HB2 1.0 . 4.17 26 25 A 3 THR HG2% A 3 THR H 1.0 . 3.30 27 26 A 20 THR H A 20 THR HG2% 1.0 . 3.34 28 27 A 20 THR HG2% A 21 GLY H 1.0 . 3.86 29 28 A 3 THR HG2% A 4 ILE H 1.0 . 3.74 30 29 A 13 ILE HD1% A 14 ALA H 1.0 . 4.22 31 30 A 14 ALA H A 13 ILE HG2% 1.0 . 3.50 32 31 A 23 TYR H A 23 TYR HB2 1.0 . 3.46 33 32 A 23 TYR H A 23 TYR HD% 1.0 . 3.67 34 33 A 25 TRP H A 25 TRP HD1 1.0 . 3.66 35 34 A 23 TYR HD% A 25 TRP HE1 1.0 . 4.19 36 35 A 12 ASP H A 10 GLY H 1.0 . 4.38 37 36 A 15 SER H A 14 ALA H 1.0 . 3.24 38 37 A 16 HIS H A 15 SER H 1.0 . 3.32 39 38 A 16 HIS H A 17 LYS H 1.0 . 3.16 40 39 A 11 TYR H A 10 GLY H 1.0 . 3.20 41 40 A 16 HIS H A 15 SER HA 1.0 . 3.57 42 41 A 9 ALA HA A 12 ASP HB3 1.0 . 3.78 43 42 A 11 TYR H A 8 VAL HA 1.0 . 3.71 44 43 A 23 TYR HD% A 25 TRP HZ2 1.0 . 4.08 45 44 A 23 TYR HD% A 25 TRP HH2 1.0 . 4.35 46 45 A 25 TRP HZ2 A 23 TYR HE% 1.0 . 4.03 47 46 A 25 TRP HH2 A 23 TYR HE% 1.0 . 4.55 48 47 A 23 TYR HD% A 25 TRP HZ3 1.0 . 4.56 49 48 A 8 VAL H A 9 ALA HB% 1.0 . 4.61 50 49 A 14 ALA HB% A 18 LYS H 1.0 . 4.88 51 50 A 18 LYS H A 18 LYS HG3 1.0 . 5.47 52 51 A 18 LYS H A 18 LYS HG2 1.0 . 5.47 53 52 A 10 GLY H A 9 ALA HB% 1.0 . 3.13 54 53 A 9 ALA HB% A 9 ALA H 1.0 . 2.62 55 54 A 14 ALA H A 14 ALA HB% 1.0 . 2.81 56 55 A 15 SER H A 11 TYR HA 1.0 . 4.07 57 56 A 15 SER H A 14 ALA HB% 1.0 . 3.15 58 57 A 14 ALA HB% A 13 ILE H 1.0 . 4.11 59 58 A 13 ILE H A 13 ILE HG13 1.0 . 3.33 60 59 A 13 ILE H A 13 ILE HB 1.0 . 3.13 61 60 A 14 ALA H A 13 ILE HB 1.0 . 3.29 62 61 A 14 ALA H A 13 ILE HG13 1.0 . 4.70 63 62 A 9 ALA H A 8 VAL HB 1.0 . 3.32 64 63 A 8 VAL H A 8 VAL HB 1.0 . 3.17 65 64 A 14 ALA H A 13 ILE H 1.0 . 3.05 66 65 A 14 ALA H A 10 GLY HA3 1.0 . 4.84 67 66 A 14 ALA H A 10 GLY HA2 1.0 . 4.08 68 67 A 9 ALA HA A 9 ALA H 1.0 . 2.89 69 68 A 11 TYR HA A 13 ILE H 1.0 . 4.24 70 69 A 6 ARG HE A 6 ARG HG2 1.0 . 3.82 71 69 A 6 ARG HG3 A 6 ARG HE 1.0 . 3.82 72 70 A 26 GLU HB2 A 25 TRP HZ3 1.0 . 5.07 73 71 A 26 GLU HA A 27 ARG H 1.0 . 3.20 74 72 A 4 ILE HA A 7 PHE H 1.0 . 3.53 75 73 A 5 LEU H A 4 ILE HB 1.0 . 4.25 76 74 A 20 THR H A 19 LYS HA 1.0 . 3.04 77 75 A 3 THR H A 3 THR HB 1.0 . 3.68 78 76 A 22 GLY H A 22 GLY HA2 1.0 . 2.67 79 76 A 22 GLY HA3 A 22 GLY H 1.0 . 2.67 80 77 A 10 GLY H A 6 ARG HA 1.0 . 4.99 81 78 A 8 VAL H A 7 PHE H 1.0 . 3.12 82 79 A 27 ARG H A 28 GLY H 1.0 . 3.60 83 80 A 9 ALA H A 7 PHE H 1.0 . 4.24 84 81 A 11 TYR H A 9 ALA H 1.0 . 4.07 85 82 A 5 LEU HD1% A 5 LEU HB2 1.0 . 3.74 86 83 A 4 ILE H A 4 ILE HB 1.0 . 3.09 87 84 A 4 ILE HG2% A 4 ILE H 1.0 . 3.02 88 85 A 11 TYR H A 13 ILE H 1.0 . 4.62 89 86 A 8 VAL H A 9 ALA H 1.0 . 3.13 90 87 A 10 GLY H A 9 ALA H 1.0 . 3.23 91 88 A 16 HIS H A 14 ALA H 1.0 . 4.41 92 89 A 28 GLY H A 29 LYS H 1.0 . 3.62 93 90 A 21 GLY H A 22 GLY H 1.0 . 3.45 94 91 A 3 THR H A 4 ILE H 1.0 . 3.21 95 92 A 20 THR H A 19 LYS H 1.0 . 3.40 96 93 A 17 LYS H A 14 ALA HA 1.0 . 3.89 97 94 A 12 ASP H A 9 ALA HB% 1.0 . 4.71 98 95 A 8 VAL HG2% A 12 ASP H 1.0 . 5.50 99 96 A 12 ASP H A 8 VAL HG1% 1.0 . 4.30 100 97 A 5 LEU HD1% A 6 ARG H 1.0 . 4.42 101 98 A 8 VAL HG2% A 7 PHE H 1.0 . 4.34 102 99 A 16 HIS H A 14 ALA HB% 1.0 . 4.40 103 100 A 17 LYS H A 17 LYS HB2 1.0 . 2.96 104 100 A 17 LYS H A 17 LYS HB3 1.0 . 2.96 105 101 A 18 LYS H A 17 LYS HB2 1.0 . 3.29 106 101 A 18 LYS H A 17 LYS HB3 1.0 . 3.29 107 102 A 18 LYS H A 18 LYS HB2 1.0 . 4.00 108 103 A 19 LYS H A 18 LYS HB2 1.0 . 3.41 109 104 A 29 LYS H A 29 LYS HB2 1.0 . 4.08 110 105 A 20 THR H A 18 LYS HB3 1.0 . 5.00 111 106 A 20 THR H A 19 LYS HB3 1.0 . 5.43 112 107 A 20 THR H A 18 LYS HB2 1.0 . 5.00 113 108 A 20 THR H A 19 LYS HB2 1.0 . 5.43 114 109 A 16 HIS H A 17 LYS HB2 1.0 . 4.37 115 109 A 16 HIS H A 17 LYS HB3 1.0 . 4.37 116 110 A 6 ARG H A 6 ARG HB2 1.0 . 3.00 117 110 A 6 ARG H A 6 ARG HB3 1.0 . 3.00 118 111 A 6 ARG H A 5 LEU HB3 1.0 . 4.35 119 112 A 6 ARG H A 6 ARG HG2 1.0 . 3.78 120 112 A 6 ARG HG3 A 6 ARG H 1.0 . 3.78 121 113 A 7 PHE H A 6 ARG HG2 1.0 . 3.93 122 113 A 6 ARG HG3 A 7 PHE H 1.0 . 3.93 123 114 A 6 ARG H A 5 LEU HB2 1.0 . 4.35 124 115 A 7 PHE H A 6 ARG HD2 1.0 . 4.81 125 115 A 7 PHE H A 6 ARG HD3 1.0 . 4.81 126 116 A 6 ARG HB2 A 6 ARG HD2 1.0 . 3.95 127 116 A 6 ARG HB3 A 6 ARG HD2 1.0 . 3.95 128 116 A 6 ARG HD3 A 6 ARG HB2 1.0 . 3.95 129 116 A 6 ARG HB3 A 6 ARG HD3 1.0 . 3.95 130 117 A 9 ALA HB% A 6 ARG HD2 1.0 . 4.72 131 117 A 9 ALA HB% A 6 ARG HD3 1.0 . 4.72 132 118 A 17 LYS HB2 A 17 LYS HE2 1.0 . 4.91 133 118 A 17 LYS HB3 A 17 LYS HE2 1.0 . 4.91 134 118 A 17 LYS HE3 A 17 LYS HB2 1.0 . 4.91 135 118 A 17 LYS HB3 A 17 LYS HE3 1.0 . 4.91 136 119 A 10 GLY H A 8 VAL HA 1.0 . 4.51 137 120 A 16 HIS H A 13 ILE HA 1.0 . 4.08 138 121 A 8 VAL HA A 7 PHE H 1.0 . 5.45 139 122 A 20 THR HG2% A 19 LYS H 1.0 . 4.47 140 123 A 9 ALA HA A 12 ASP HB2 1.0 . 3.62 141 124 A 24 PRO HD2 A 23 TYR HA 1.0 . 3.43 142 125 A 10 GLY H A 7 PHE HA 1.0 . 4.04 143 126 A 11 TYR H A 7 PHE HA 1.0 . 5.15 144 127 A 4 ILE HD1% A 7 PHE HD% 1.0 . 4.14 145 128 A 8 VAL HG1% A 7 PHE HD% 1.0 . 4.96 146 129 A 8 VAL HG2% A 7 PHE HD% 1.0 . 3.71 147 130 A 7 PHE HD% A 6 ARG HG2 1.0 . 5.14 148 130 A 6 ARG HG3 A 7 PHE HD% 1.0 . 5.14 149 131 A 4 ILE HB A 7 PHE HD% 1.0 . 4.99 150 132 A 7 PHE H A 4 ILE HB 1.0 . 5.39 151 133 A 5 LEU H A 4 ILE H 1.0 . 3.18 152 134 A 28 GLY H A 27 ARG HA 1.0 . 3.09 153 135 A 11 TYR H A 8 VAL HG1% 1.0 . 4.61 154 136 A 8 VAL HG2% A 11 TYR H 1.0 . 5.00 155 137 A 17 LYS H A 17 LYS HD2 1.0 . 4.58 156 137 A 17 LYS H A 17 LYS HD3 1.0 . 4.58 157 138 A 17 LYS H A 18 LYS H 1.0 . 3.11 158 139 A 18 LYS H A 19 LYS H 1.0 . 2.78 159 140 A 29 LYS HA A 30 ALA H 1.0 . 3.50 160 141 A 21 GLY H A 20 THR HA 1.0 . 2.96 161 142 A 1 MET HA A 2 LYS H 1.0 . 3.47 162 143 A 21 GLY H A 20 THR HB 1.0 . 3.92 163 144 A 12 ASP H A 8 VAL HA 1.0 . 4.22 164 145 A 8 VAL HA A 7 PHE HD% 1.0 . 4.27 165 146 A 8 VAL HA A 11 TYR HD% 1.0 . 4.40 166 147 A 23 TYR HD% A 24 PRO HD3 1.0 . 4.21 167 148 A 11 TYR HA A 11 TYR HD% 1.0 . 3.31 168 149 A 23 TYR HD% A 23 TYR HA 1.0 . 3.45 169 150 A 23 TYR HE% A 23 TYR HA 1.0 . 4.31 170 151 A 7 PHE HA A 7 PHE HD% 1.0 . 3.49 171 152 A 7 PHE HA A 7 PHE HE% 1.0 . 4.73 172 153 A 16 HIS HA A 16 HIS HD2 1.0 . 3.65 173 154 A 11 TYR HD% A 12 ASP HA 1.0 . 3.98 174 155 A 24 PRO HD2 A 23 TYR HD% 1.0 . 4.06 175 156 A 24 PRO HD2 A 23 TYR HE% 1.0 . 4.36 176 157 A 13 ILE H A 10 GLY HA2 1.0 . 5.13 177 158 A 13 ILE H A 10 GLY HA3 1.0 . 4.86 178 159 A 18 LYS H A 14 ALA HA 1.0 . 4.55 179 160 A 23 TYR H A 22 GLY H 1.0 . 3.69 180 161 A 11 TYR H A 11 TYR HD% 1.0 . 4.32 181 162 A 23 TYR H A 23 TYR HE% 1.0 . 5.08 182 163 A 25 TRP H A 26 GLU H 1.0 . 2.96 183 164 A 12 ASP H A 13 ILE H 1.0 . 3.36 184 165 A 12 ASP H A 14 ALA H 1.0 . 4.25 185 166 A 12 ASP H A 11 TYR H 1.0 . 3.17 186 167 A 26 GLU H A 27 ARG H 1.0 . 3.23 187 168 A 5 LEU H A 6 ARG H 1.0 . 3.10 188 169 A 15 SER H A 12 ASP HA 1.0 . 4.01 189 170 A 26 GLU HA A 28 GLY H 1.0 . 5.25 190 171 A 14 ALA H A 12 ASP HA 1.0 . 5.08 191 172 A 11 TYR H A 12 ASP HA 1.0 . 5.32 192 173 A 28 GLY H A 27 ARG HB2 1.0 . 4.77 193 174 A 28 GLY H A 27 ARG HB3 1.0 . 4.77 194 175 A 8 VAL HG1% A 11 TYR HD% 1.0 . 4.32 195 176 A 14 ALA HB% A 11 TYR HD% 1.0 . 4.48 196 177 A 6 ARG HA A 6 ARG HG2 1.0 . 3.55 197 177 A 6 ARG HG3 A 6 ARG HA 1.0 . 3.55 198 178 A 6 ARG HA A 5 LEU HG 1.0 . 4.26 199 179 A 14 ALA HA A 17 LYS HD2 1.0 . 4.26 200 179 A 14 ALA HA A 17 LYS HD3 1.0 . 4.26 201 180 A 5 LEU HG A 5 LEU HA 1.0 . 4.19 202 181 A 17 LYS HA A 17 LYS HD2 1.0 . 4.48 203 181 A 17 LYS HD3 A 17 LYS HA 1.0 . 4.48 204 182 A 18 LYS HA A 18 LYS HD2 1.0 . 4.65 205 182 A 18 LYS HA A 18 LYS HD3 1.0 . 4.65 206 183 A 19 LYS HA A 19 LYS HD2 1.0 . 4.50 207 183 A 19 LYS HA A 19 LYS HD3 1.0 . 4.50 208 184 A 14 ALA HA A 17 LYS HB2 1.0 . 3.32 209 184 A 14 ALA HA A 17 LYS HB3 1.0 . 3.32 210 185 A 19 LYS HA A 19 LYS HG2 1.0 . 4.12 211 186 A 13 ILE HG2% A 14 ALA HA 1.0 . 3.68 212 187 A 8 VAL HG2% A 4 ILE HA 1.0 . 4.27 213 188 A 9 ALA HA A 8 VAL HG1% 1.0 . 3.54 214 189 A 4 ILE HG2% A 5 LEU HA 1.0 . 3.44 215 190 A 5 LEU HD1% A 5 LEU HA 1.0 . 3.49 216 191 A 9 ALA HA A 13 ILE HD1% 1.0 . 4.63 217 192 A 6 ARG HA A 5 LEU HD1% 1.0 . 4.27 218 193 A 4 ILE HD1% A 7 PHE HB2 1.0 . 4.95 219 194 A 4 ILE HG2% A 7 PHE HB2 1.0 . 5.50 220 195 A 8 VAL HG2% A 7 PHE HB2 1.0 . 4.83 221 196 A 8 VAL HG2% A 7 PHE HB3 1.0 . 4.30 222 197 A 11 TYR HB3 A 8 VAL HG1% 1.0 . 4.32 223 198 A 13 ILE HG2% A 17 LYS HE2 1.0 . 3.63 224 198 A 13 ILE HG2% A 17 LYS HE3 1.0 . 3.63 225 199 A 8 VAL HG1% A 12 ASP HB2 1.0 . 4.47 226 200 A 11 TYR HB2 A 8 VAL HG1% 1.0 . 4.32 227 201 A 8 VAL HG2% A 11 TYR HB2 1.0 . 4.54 228 202 A 4 ILE HG2% A 7 PHE HB3 1.0 . 4.58 229 203 A 13 ILE HD1% A 12 ASP HB2 1.0 . 4.62 230 204 A 13 ILE HD1% A 12 ASP HB3 1.0 . 4.84 231 205 A 20 THR HG2% A 18 LYS HA 1.0 . 4.52 232 206 A 13 ILE HD1% A 9 ALA HB% 1.0 . 3.71 233 207 A 25 TRP H A 23 TYR HB3 1.0 . 3.98 234 208 A 25 TRP H A 23 TYR HB2 1.0 . 4.24 235 209 A 25 TRP H A 24 PRO HB2 1.0 . 4.57 236 210 A 13 ILE HG13 A 13 ILE HA 1.0 . 3.48 237 211 A 24 PRO HD3 A 23 TYR HB3 1.0 . 4.04 238 212 A 27 ARG HA A 27 ARG HG2 1.0 . 4.14 239 212 A 27 ARG HA A 27 ARG HG3 1.0 . 4.14 240 213 A 26 GLU HA A 26 GLU HG3 1.0 . 4.03 241 214 A 26 GLU HA A 26 GLU HG2 1.0 . 4.03 242 215 A 23 TYR HB2 A 22 GLY HA2 1.0 . 4.24 243 215 A 22 GLY HA3 A 23 TYR HB2 1.0 . 4.24 244 216 A 13 ILE HB A 10 GLY HA2 1.0 . 3.96 245 217 A 13 ILE HG2% A 10 GLY HA2 1.0 . 4.65 246 218 A 13 ILE HD1% A 10 GLY HA2 1.0 . 4.00 247 219 A 13 ILE HG2% A 13 ILE HA 1.0 . 3.03 248 220 A 13 ILE HD1% A 13 ILE HA 1.0 . 3.97 249 221 A 8 VAL HA A 8 VAL HG1% 1.0 . 3.02 250 222 A 8 VAL HA A 9 ALA HB% 1.0 . 5.35 251 223 A 14 ALA HB% A 13 ILE HA 1.0 . 5.50 252 224 A 9 ALA HB% A 10 GLY HA2 1.0 . 4.14 253 225 A 9 ALA HB% A 6 ARG HA 1.0 . 3.08 254 226 A 8 VAL HG2% A 5 LEU HA 1.0 . 3.94 255 227 A 4 ILE HA A 4 ILE HD1% 1.0 . 3.84 256 228 A 3 THR HA A 5 LEU HD2% 1.0 . 3.32 257 229 A 4 ILE HG2% A 4 ILE HA 1.0 . 3.61 258 230 A 20 THR HG2% A 19 LYS HA 1.0 . 3.94 259 231 A 20 THR HG2% A 20 THR HA 1.0 . 3.31 260 232 A 14 ALA HB% A 11 TYR HA 1.0 . 3.08 261 233 A 9 ALA HB% A 7 PHE HA 1.0 . 4.59 262 234 A 19 LYS HA A 19 LYS HG3 1.0 . 4.12 263 235 A 9 ALA HB% A 10 GLY HA3 1.0 . 4.27 264 236 A 13 ILE HD1% A 10 GLY HA3 1.0 . 4.15 265 237 A 4 ILE HD1% A 7 PHE HB3 1.0 . 4.27 266 238 A 8 VAL HG2% A 11 TYR HB3 1.0 . 4.46 267 239 A 12 ASP HB3 A 8 VAL HG1% 1.0 . 4.32 268 240 A 12 ASP HB3 A 9 ALA HB% 1.0 . 4.86 269 241 A 24 PRO HD2 A 23 TYR HB3 1.0 . 3.82 270 242 A 24 PRO HD2 A 23 TYR HB2 1.0 . 4.04 271 243 A 27 ARG HD3 A 27 ARG HB3 1.0 . 4.08 272 243 A 27 ARG HB3 A 27 ARG HD2 1.0 . 4.08 273 244 A 27 ARG HD3 A 27 ARG HB2 1.0 . 4.08 274 244 A 27 ARG HB2 A 27 ARG HD2 1.0 . 4.08 275 245 A 9 ALA HB% A 12 ASP HB2 1.0 . 5.04 276 246 A 17 LYS HB2 A 17 LYS HD2 1.0 . 3.02 277 246 A 17 LYS HB3 A 17 LYS HD2 1.0 . 3.02 278 246 A 17 LYS HD3 A 17 LYS HB2 1.0 . 3.02 279 246 A 17 LYS HB3 A 17 LYS HD3 1.0 . 3.02 280 247 A 6 ARG HB2 A 6 ARG HG2 1.0 . 2.82 281 247 A 6 ARG HB3 A 6 ARG HG2 1.0 . 2.82 282 247 A 6 ARG HG3 A 6 ARG HB2 1.0 . 2.82 283 247 A 6 ARG HG3 A 6 ARG HB3 1.0 . 2.82 284 248 A 5 LEU HD2% A 6 ARG HB2 1.0 . 4.34 285 248 A 6 ARG HB3 A 5 LEU HD2% 1.0 . 4.34 286 249 A 5 LEU HD1% A 5 LEU HB3 1.0 . 3.74 287 250 A 13 ILE HG2% A 17 LYS HD2 1.0 . 3.62 288 250 A 13 ILE HG2% A 17 LYS HD3 1.0 . 3.62 289 251 A 5 LEU HD1% A 6 ARG HB2 1.0 . 3.47 290 251 A 5 LEU HD1% A 6 ARG HB3 1.0 . 3.47 291 252 A 13 ILE HG2% A 13 ILE HG13 1.0 . 3.78 292 253 A 13 ILE HD1% A 13 ILE HB 1.0 . 3.20 293 254 A 4 ILE HB A 4 ILE HD1% 1.0 . 3.31 294 255 A 4 ILE HD1% A 1 MET HB2 1.0 . 3.78 295 255 A 4 ILE HD1% A 1 MET HB3 1.0 . 3.78 296 256 A 20 THR HG2% A 18 LYS HB2 1.0 . 4.16 297 257 A 20 THR HG2% A 18 LYS HB3 1.0 . 4.16 298 258 A 20 THR HG2% A 18 LYS HD2 1.0 . 3.68 299 258 A 20 THR HG2% A 18 LYS HD3 1.0 . 3.68 300 259 A 9 ALA HB% A 5 LEU HD1% 1.0 . 3.58 301 260 A 8 VAL HG2% A 8 VAL HA 1.0 . 2.80 302 261 A 4 ILE HA A 7 PHE HB2 1.0 . 3.62 303 262 A 4 ILE HA A 7 PHE HB3 1.0 . 3.43 304 263 A 7 PHE H A 7 PHE HD% 1.0 . 4.20 305 264 A 24 PRO HD2 A 25 TRP HZ2 1.0 . 5.25 306 265 A 11 TYR HE% A 15 SER HB2 1.0 . 5.08 307 266 A 11 TYR HB2 A 9 ALA H 1.0 . 5.50 308 267 A 9 ALA H A 12 ASP HB2 1.0 . 5.50 309 268 A 14 ALA H A 12 ASP HB3 1.0 . 5.29 310 269 A 9 ALA H A 6 ARG HD2 1.0 . 5.50 311 269 A 9 ALA H A 6 ARG HD3 1.0 . 5.50 312 270 A 9 ALA H A 7 PHE HB3 1.0 . 4.79 313 271 A 11 TYR HB2 A 10 GLY H 1.0 . 4.77 314 272 A 27 ARG H A 26 GLU HB3 1.0 . 4.34 315 273 A 8 VAL HB A 7 PHE H 1.0 . 4.75 316 274 A 2 LYS H A 1 MET HB2 1.0 . 4.59 317 274 A 2 LYS H A 1 MET HB3 1.0 . 4.59 318 275 A 25 TRP HZ2 A 23 TYR HB3 1.0 . 4.45 319 276 A 23 TYR HB2 A 25 TRP HZ2 1.0 . 4.94 320 277 A 23 TYR HB2 A 25 TRP HH2 1.0 . 5.32 321 278 A 25 TRP HH2 A 26 GLU HB3 1.0 . 5.50 322 279 A 14 ALA HB% A 11 TYR HE% 1.0 . 5.25 323 280 A 25 TRP HD1 A 23 TYR HB3 1.0 . 5.38 324 281 A 26 GLU HB2 A 23 TYR HD% 1.0 . 4.65 325 282 A 4 ILE HG2% A 9 ALA H 1.0 . 5.42 326 283 A 15 SER H A 13 ILE HG2% 1.0 . 4.93 327 284 A 4 ILE HG2% A 3 THR H 1.0 . 4.87 328 285 A 10 GLY H A 8 VAL HG1% 1.0 . 5.32 329 286 A 13 ILE HD1% A 10 GLY H 1.0 . 4.84 330 287 A 8 VAL HG2% A 11 TYR HD% 1.0 . 5.16 331 288 A 8 VAL H A 6 ARG HG2 1.0 . 4.73 332 288 A 8 VAL H A 6 ARG HG3 1.0 . 4.73 333 289 A 5 LEU H A 6 ARG HB2 1.0 . 4.92 334 289 A 5 LEU H A 6 ARG HB3 1.0 . 4.92 335 290 A 26 GLU HB2 A 23 TYR H 1.0 . 4.52 336 291 A 26 GLU H A 24 PRO HG2 1.0 . 4.54 337 291 A 26 GLU H A 24 PRO HG3 1.0 . 4.54 338 292 A 5 LEU H A 8 VAL HB 1.0 . 5.41 339 293 A 23 TYR HE% A 24 PRO HD3 1.0 . 4.80 340 294 A 23 TYR HD% A 22 GLY HA2 1.0 . 4.87 341 294 A 22 GLY HA3 A 23 TYR HD% 1.0 . 4.87 342 295 A 11 TYR HE% A 15 SER HB3 1.0 . 5.08 343 296 A 23 TYR H A 24 PRO HD3 1.0 . 5.50 344 297 A 26 GLU H A 24 PRO HD3 1.0 . 5.50 345 298 A 15 SER H A 16 HIS HA 1.0 . 5.23 346 299 A 26 GLU H A 24 PRO HA 1.0 . 4.47 347 300 A 26 GLU HA A 25 TRP HZ3 1.0 . 4.48 348 301 A 9 ALA H A 7 PHE HA 1.0 . 4.60 349 302 A 13 ILE H A 14 ALA HA 1.0 . 5.26 350 303 A 16 HIS H A 11 TYR HD% 1.0 . 5.50 351 304 A 15 SER H A 17 LYS H 1.0 . 4.36 352 305 A 15 SER H A 13 ILE H 1.0 . 4.25 353 306 A 15 SER H A 19 LYS H 1.0 . 5.03 354 307 A 17 LYS H A 19 LYS H 1.0 . 4.14 355 308 A 8 VAL H A 11 TYR H 1.0 . 5.17 356 309 A 15 SER H A 18 LYS H 1.0 . 5.13 357 310 A 12 ASP H A 11 TYR HD% 1.0 . 4.08 358 311 A 15 SER H A 11 TYR HD% 1.0 . 4.59 359 312 A 8 VAL H A 7 PHE HD% 1.0 . 4.19 360 313 A 11 TYR HD% A 7 PHE HE% 1.0 . 4.05 361 314 A 11 TYR HD% A 7 PHE HZ 1.0 . 4.28 362 315 A 6 ARG HA A 5 LEU HD2% 1.0 . 4.93 363 316 A 3 THR HA A 5 LEU HG 1.0 . 4.46 364 317 A 4 ILE HA A 6 ARG HD2 1.0 . 4.92 365 317 A 4 ILE HA A 6 ARG HD3 1.0 . 4.92 366 318 A 27 ARG HA A 27 ARG HD2 1.0 . 4.67 367 318 A 27 ARG HA A 27 ARG HD3 1.0 . 4.67 368 319 A 11 TYR HA A 11 TYR HE% 1.0 . 4.67 369 320 A 6 ARG HE A 6 ARG HA 1.0 . 5.50 370 321 A 15 SER HA A 11 TYR HE% 1.0 . 4.80 371 322 A 4 ILE HA A 7 PHE HD% 1.0 . 4.23 372 323 A 5 LEU H A 6 ARG HA 1.0 . 5.50 373 324 A 3 THR HA A 4 ILE H 1.0 . 3.14 374 325 A 15 SER HA A 19 LYS H 1.0 . 4.07 375 326 A 8 VAL H A 5 LEU HA 1.0 . 3.90 376 327 A 15 SER HA A 18 LYS H 1.0 . 4.17 377 328 A 17 LYS H A 15 SER HA 1.0 . 4.35 378 329 A 9 ALA H A 6 ARG HA 1.0 . 3.87 379 330 A 12 ASP H A 12 ASP HB3 1.0 . 3.18 380 331 A 12 ASP H A 12 ASP HB2 1.0 . 3.20 381 332 A 12 ASP HB3 A 13 ILE H 1.0 . 3.70 382 333 A 13 ILE H A 12 ASP HB2 1.0 . 3.96 383 334 A 17 LYS H A 16 HIS HB3 1.0 . 4.17 384 335 A 11 TYR HB3 A 11 TYR H 1.0 . 3.16 385 336 A 8 VAL H A 7 PHE HB2 1.0 . 3.87 386 337 A 8 VAL H A 7 PHE HB3 1.0 . 3.66 387 338 A 16 HIS H A 16 HIS HB3 1.0 . 3.46 388 339 A 7 PHE H A 7 PHE HB2 1.0 . 3.24 389 340 A 7 PHE H A 7 PHE HB3 1.0 . 3.18 390 341 A 25 TRP HB3 A 26 GLU H 1.0 . 4.93 391 342 A 24 PRO HD2 A 25 TRP HD1 1.0 . 4.11 392 343 A 12 ASP HB2 A 11 TYR HD% 1.0 . 5.32 393 344 A 25 TRP H A 25 TRP HB3 1.0 . 3.77 394 345 A 6 ARG HA A 6 ARG HD2 1.0 . 4.01 395 345 A 6 ARG HA A 6 ARG HD3 1.0 . 4.01 396 346 A 4 ILE HB A 7 PHE HB3 1.0 . 4.63 397 347 A 23 TYR HA A 24 PRO HG2 1.0 . 4.47 398 347 A 23 TYR HA A 24 PRO HG3 1.0 . 4.47 399 348 A 25 TRP H A 24 PRO HG2 1.0 . 4.06 400 348 A 25 TRP H A 24 PRO HG3 1.0 . 4.06 401 349 A 25 TRP H A 24 PRO HB3 1.0 . 4.57 402 350 A 25 TRP H A 26 GLU HB2 1.0 . 4.88 403 351 A 6 ARG HE A 6 ARG HB2 1.0 . 4.51 404 351 A 6 ARG HE A 6 ARG HB3 1.0 . 4.51 405 352 A 26 GLU H A 26 GLU HB3 1.0 . 3.46 406 353 A 29 LYS H A 29 LYS HB3 1.0 . 4.08 407 354 A 19 LYS H A 18 LYS HB3 1.0 . 3.41 408 355 A 18 LYS H A 18 LYS HB3 1.0 . 4.00 409 356 A 12 ASP H A 14 ALA HB% 1.0 . 5.50 410 357 A 13 ILE H A 13 ILE HG12 1.0 . 4.04 411 358 A 8 VAL HG2% A 9 ALA H 1.0 . 4.18 412 359 A 9 ALA H A 8 VAL HG1% 1.0 . 3.67 413 360 A 13 ILE HD1% A 13 ILE H 1.0 . 3.75 414 361 A 13 ILE HG2% A 13 ILE H 1.0 . 3.88 415 362 A 11 TYR H A 9 ALA HB% 1.0 . 4.30 416 363 A 17 LYS H A 14 ALA HB% 1.0 . 5.15 417 364 A 30 ALA H A 30 ALA HB% 1.0 . 3.72 418 365 A 19 LYS H A 18 LYS HD2 1.0 . 5.17 419 365 A 19 LYS H A 18 LYS HD3 1.0 . 5.17 420 366 A 19 LYS H A 19 LYS HD2 1.0 . 5.50 421 366 A 19 LYS H A 19 LYS HD3 1.0 . 5.50 422 367 A 18 LYS H A 17 LYS HD2 1.0 . 5.00 423 367 A 18 LYS H A 17 LYS HD3 1.0 . 5.00 424 368 A 18 LYS H A 18 LYS HD2 1.0 . 5.33 425 368 A 18 LYS H A 18 LYS HD3 1.0 . 5.33 426 369 A 8 VAL H A 8 VAL HG1% 1.0 . 3.82 427 370 A 4 ILE HG2% A 8 VAL H 1.0 . 4.26 428 371 A 17 LYS H A 13 ILE HG2% 1.0 . 4.18 429 372 A 4 ILE H A 4 ILE HD1% 1.0 . 4.36 430 373 A 6 ARG H A 5 LEU HD2% 1.0 . 4.11 431 374 A 9 ALA HB% A 6 ARG H 1.0 . 4.85 432 375 A 9 ALA HB% A 7 PHE H 1.0 . 5.15 433 376 A 3 THR HG2% A 6 ARG H 1.0 . 4.57 434 377 A 5 LEU H A 5 LEU HG 1.0 . 3.27 435 378 A 26 GLU H A 23 TYR HB3 1.0 . 3.58 436 379 A 5 LEU H A 5 LEU HB3 1.0 . 3.68 437 380 A 5 LEU H A 5 LEU HD1% 1.0 . 4.12 438 381 A 4 ILE HG2% A 7 PHE HD% 1.0 . 4.37 439 382 A 25 TRP HB3 A 23 TYR HB3 1.0 . 5.26 440 383 A 4 ILE HG2% A 8 VAL HB 1.0 . 3.68 441 384 A 17 LYS HD2 A 17 LYS HG3 1.0 . 2.78 442 384 A 17 LYS HD3 A 17 LYS HG3 1.0 . 2.78 443 385 A 17 LYS HD3 A 17 LYS HG2 1.0 . 2.78 444 385 A 17 LYS HG2 A 17 LYS HD2 1.0 . 2.78 445 386 A 4 ILE HG2% A 4 ILE HG13 1.0 . 3.38 446 387 A 8 VAL HG2% A 4 ILE HD1% 1.0 . 2.88 447 388 A 13 ILE HG2% A 13 ILE HG12 1.0 . 3.09 448 389 A 4 ILE HG2% A 8 VAL HG2% 1.0 . 2.77 449 390 A 4 ILE HG2% A 4 ILE HG12 1.0 . 3.38 450 391 A 6 ARG H A 5 LEU HG 1.0 . 3.91 451 392 A 1 MET HA A 2 LYS HB2 1.0 . 4.44 452 392 A 1 MET HA A 2 LYS HB3 1.0 . 4.44 453 393 A 2 LYS H A 2 LYS HG2 1.0 . 4.60 454 393 A 2 LYS H A 2 LYS HG3 1.0 . 4.60 455 394 A 3 THR H A 2 LYS HB2 1.0 . 3.70 456 394 A 3 THR H A 2 LYS HB3 1.0 . 3.70 457 395 A 3 THR H A 2 LYS HG2 1.0 . 4.96 458 395 A 3 THR H A 2 LYS HG3 1.0 . 4.96 459 396 A 4 ILE H A 4 ILE HG13 1.0 . 4.10 460 396 A 4 ILE H A 4 ILE HG12 1.0 . 4.10 461 397 A 5 LEU H A 4 ILE HG13 1.0 . 4.66 462 397 A 5 LEU H A 4 ILE HG12 1.0 . 4.66 463 398 A 8 VAL H A 4 ILE HG13 1.0 . 3.79 464 398 A 8 VAL H A 4 ILE HG12 1.0 . 3.79 465 399 A 8 VAL HG2% A 4 ILE HG13 1.0 . 3.55 466 399 A 8 VAL HG2% A 4 ILE HG12 1.0 . 3.55 467 400 A 5 LEU H A 5 LEU HB2 1.0 . 3.14 468 400 A 5 LEU H A 5 LEU HB3 1.0 . 3.14 469 401 A 5 LEU HD1% A 5 LEU HB2 1.0 . 3.01 470 401 A 5 LEU HD1% A 5 LEU HB3 1.0 . 3.01 471 402 A 5 LEU HD2% A 5 LEU HB2 1.0 . 3.22 472 402 A 5 LEU HD2% A 5 LEU HB3 1.0 . 3.22 473 403 A 6 ARG H A 5 LEU HB2 1.0 . 3.67 474 403 A 6 ARG H A 5 LEU HB3 1.0 . 3.67 475 404 A 11 TYR HD% A 15 SER HB2 1.0 . 4.33 476 404 A 11 TYR HD% A 15 SER HB3 1.0 . 4.33 477 405 A 11 TYR HE% A 15 SER HB2 1.0 . 4.28 478 405 A 11 TYR HE% A 15 SER HB3 1.0 . 4.28 479 406 A 12 ASP HA A 15 SER HB2 1.0 . 4.27 480 406 A 12 ASP HA A 15 SER HB3 1.0 . 4.27 481 407 A 14 ALA HB% A 15 SER HB2 1.0 . 4.19 482 407 A 14 ALA HB% A 15 SER HB3 1.0 . 4.19 483 408 A 15 SER H A 15 SER HB2 1.0 . 3.26 484 408 A 15 SER H A 15 SER HB3 1.0 . 3.26 485 409 A 15 SER HA A 18 LYS HB3 1.0 . 3.96 486 409 A 15 SER HA A 18 LYS HB2 1.0 . 3.96 487 410 A 16 HIS H A 15 SER HB2 1.0 . 3.70 488 410 A 16 HIS H A 15 SER HB3 1.0 . 3.70 489 411 A 16 HIS HD2 A 16 HIS HB2 1.0 . 3.36 490 411 A 16 HIS HD2 A 16 HIS HB3 1.0 . 3.36 491 412 A 17 LYS H A 16 HIS HB2 1.0 . 3.65 492 412 A 17 LYS H A 16 HIS HB3 1.0 . 3.65 493 413 A 17 LYS H A 17 LYS HG3 1.0 . 4.08 494 413 A 17 LYS H A 17 LYS HG2 1.0 . 4.08 495 414 A 18 LYS H A 17 LYS HG3 1.0 . 5.16 496 414 A 18 LYS H A 17 LYS HG2 1.0 . 5.16 497 415 A 18 LYS H A 18 LYS HB3 1.0 . 3.33 498 415 A 18 LYS H A 18 LYS HB2 1.0 . 3.33 499 416 A 18 LYS H A 18 LYS HG3 1.0 . 4.65 500 416 A 18 LYS H A 18 LYS HG2 1.0 . 4.65 501 417 A 20 THR HG2% A 18 LYS HB3 1.0 . 3.59 502 417 A 20 THR HG2% A 18 LYS HB2 1.0 . 3.59 503 418 A 19 LYS H A 18 LYS HG3 1.0 . 4.98 504 418 A 19 LYS H A 18 LYS HG2 1.0 . 4.98 505 419 A 19 LYS HA A 19 LYS HG3 1.0 . 3.48 506 419 A 19 LYS HA A 19 LYS HG2 1.0 . 3.48 507 420 A 20 THR H A 19 LYS HG3 1.0 . 5.16 508 420 A 20 THR H A 19 LYS HG2 1.0 . 5.16 509 421 A 20 THR HA A 19 LYS HG3 1.0 . 4.84 510 421 A 20 THR HA A 19 LYS HG2 1.0 . 4.84 511 422 A 20 THR HG2% A 21 GLY HA2 1.0 . 4.27 512 422 A 20 THR HG2% A 21 GLY HA3 1.0 . 4.27 513 423 A 23 TYR HD% A 26 GLU HG2 1.0 . 4.54 514 423 A 23 TYR HD% A 26 GLU HG3 1.0 . 4.54 515 424 A 25 TRP HD1 A 24 PRO HB3 1.0 . 4.90 516 424 A 25 TRP HD1 A 24 PRO HB2 1.0 . 4.90 517 425 A 25 TRP HE3 A 26 GLU HG2 1.0 . 4.09 518 425 A 25 TRP HE3 A 26 GLU HG3 1.0 . 4.09 519 426 A 25 TRP HZ3 A 26 GLU HG2 1.0 . 3.92 520 426 A 25 TRP HZ3 A 26 GLU HG3 1.0 . 3.92 521 427 A 26 GLU H A 26 GLU HG2 1.0 . 5.34 522 427 A 26 GLU H A 26 GLU HG3 1.0 . 5.34 523 428 A 27 ARG H A 26 GLU HG2 1.0 . 4.88 524 428 A 27 ARG H A 26 GLU HG3 1.0 . 4.88 525 429 A 27 ARG H A 27 ARG HB3 1.0 . 3.45 526 429 A 27 ARG H A 27 ARG HB2 1.0 . 3.45 527 430 A 27 ARG HE A 27 ARG HB3 1.0 . 5.34 528 430 A 27 ARG HB2 A 27 ARG HE 1.0 . 5.34 529 431 A 28 GLY H A 27 ARG HB3 1.0 . 4.13 530 431 A 28 GLY H A 27 ARG HB2 1.0 . 4.13 531 432 A 29 LYS H A 29 LYS HB3 1.0 . 3.50 532 432 A 29 LYS H A 29 LYS HB2 1.0 . 3.50 533 433 A 29 LYS HB3 A 29 LYS HE2 1.0 . 3.39 534 433 A 29 LYS HB2 A 29 LYS HE2 1.0 . 3.39 535 433 A 29 LYS HE3 A 29 LYS HB3 1.0 . 3.39 536 433 A 29 LYS HB2 A 29 LYS HE3 1.0 . 3.39 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 MET C A 2 LYS N A 2 LYS CA A 2 LYS C 1.0 -98.4 -43.3 PHI 2 2 A 2 LYS N A 2 LYS CA A 2 LYS C A 3 THR N 1.0 -66.0 0.5 PSI 3 3 A 3 THR C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -106.1 -37.4 PHI 4 4 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 LEU N 1.0 -70.5 3.0 PSI 5 5 A 4 ILE C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -74.4 -51.6 PHI 6 6 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 ARG N 1.0 -47.8 -27.8 PSI 7 7 A 5 LEU C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -74.2 -54.2 PHI 8 8 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 PHE N 1.0 -51.7 -31.7 PSI 9 9 A 6 ARG C A 7 PHE N A 7 PHE CA A 7 PHE C 1.0 -77.0 -52.6 PHI 10 10 A 7 PHE N A 7 PHE CA A 7 PHE C A 8 VAL N 1.0 -54.2 -25.5 PSI 11 11 A 7 PHE C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -73.9 -53.9 PHI 12 12 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 ALA N 1.0 -49.0 -26.7 PSI 13 13 A 8 VAL C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -80.0 -45.6 PHI 14 14 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 GLY N 1.0 -64.2 -23.8 PSI 15 15 A 9 ALA C A 10 GLY N A 10 GLY CA A 10 GLY C 1.0 -72.0 -50.0 PHI 16 16 A 10 GLY N A 10 GLY CA A 10 GLY C A 11 TYR N 1.0 -54.4 -28.4 PSI 17 17 A 10 GLY C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -73.7 -53.7 PHI 18 18 A 11 TYR N A 11 TYR CA A 11 TYR C A 12 ASP N 1.0 -61.5 -26.0 PSI 19 19 A 11 TYR C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -77.7 -53.4 PHI 20 20 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 ILE N 1.0 -50.5 -29.2 PSI 21 21 A 12 ASP C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -90.3 -46.2 PHI 22 22 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 ALA N 1.0 -59.2 -21.5 PSI 23 23 A 13 ILE C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -71.6 -51.6 PHI 24 24 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 SER N 1.0 -50.9 -30.9 PSI 25 25 A 14 ALA C A 15 SER N A 15 SER CA A 15 SER C 1.0 -72.1 -52.1 PHI 26 26 A 15 SER N A 15 SER CA A 15 SER C A 16 HIS N 1.0 -62.8 -18.4 PSI 27 27 A 15 SER C A 16 HIS N A 16 HIS CA A 16 HIS C 1.0 -93.6 -44.8 PHI 28 28 A 16 HIS N A 16 HIS CA A 16 HIS C A 17 LYS N 1.0 -55.6 -20.6 PSI 29 29 A 16 HIS C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -78.7 -53.0 PHI 30 30 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 LYS N 1.0 -59.9 -5.2 PSI 31 31 A 17 LYS C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -87.8 -49.2 PHI 32 32 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 LYS N 1.0 -66.2 0.4 PSI 33 33 A 24 PRO C A 25 TRP N A 25 TRP CA A 25 TRP C 1.0 -99.6 -48.1 PHI 34 34 A 25 TRP N A 25 TRP CA A 25 TRP C A 26 GLU N 1.0 -55.8 18.3 PSI 35 35 A 26 GLU C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -124.0 -66.1 PHI 36 36 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 GLY N 1.0 -30.6 38.0 PSI stop_ save_