data_nef_c19832_2mlu 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 19833 PDB 2MLU 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 4.247 0.03 A 1 MET HB2 H 1 2.294 0.03 A 1 MET HB3 H 1 2.244 0.03 A 1 MET HE% H 1 2.155 0.03 A 1 MET HG2 H 1 2.710 0.03 A 1 MET HG3 H 1 2.710 0.03 A 1 MET CA C 13 55.221 0.10 A 1 MET CB C 13 33.132 0.10 A 1 MET CE C 13 16.912 0.10 A 1 MET CG C 13 31.111 0.10 A 2 LYS H H 1 9.052 0.03 A 2 LYS HA H 1 4.384 0.03 A 2 LYS HB2 H 1 2.015 0.03 A 2 LYS HB3 H 1 1.912 0.03 A 2 LYS HD2 H 1 1.787 0.03 A 2 LYS HD3 H 1 1.787 0.03 A 2 LYS HE2 H 1 3.059 0.03 A 2 LYS HE3 H 1 3.059 0.03 A 2 LYS HG2 H 1 1.571 0.03 A 2 LYS HG3 H 1 1.642 0.03 A 2 LYS HZ1 H 1 7.782 0.03 A 2 LYS HZ2 H 1 7.782 0.03 A 2 LYS HZ3 H 1 7.782 0.03 A 2 LYS CB C 13 32.959 0.10 A 2 LYS CD C 13 29.220 0.10 A 2 LYS CG C 13 25.063 0.10 A 2 LYS N N 15 124.386 0.10 A 3 THR H H 1 8.478 0.03 A 3 THR HA H 1 4.216 0.03 A 3 THR HB H 1 4.341 0.03 A 3 THR HG2% H 1 1.304 0.03 A 3 THR CB C 13 68.928 0.10 A 3 THR CG2 C 13 22.036 0.10 A 3 THR N N 15 116.039 0.10 A 4 ILE H H 1 8.556 0.03 A 4 ILE HA H 1 4.110 0.03 A 4 ILE HB H 1 2.086 0.03 A 4 ILE HD1% H 1 0.999 0.03 A 4 ILE HG12 H 1 1.377 0.03 A 4 ILE HG13 H 1 1.696 0.03 A 4 ILE HG2% H 1 1.053 0.03 A 4 ILE CA C 13 63.572 0.10 A 4 ILE CB C 13 37.954 0.10 A 4 ILE CD1 C 13 13.517 0.10 A 4 ILE CG1 C 13 28.632 0.10 A 4 ILE CG2 C 13 17.882 0.10 A 4 ILE N N 15 121.132 0.10 A 5 LEU H H 1 7.935 0.03 A 5 LEU HA H 1 4.186 0.03 A 5 LEU HB2 H 1 1.891 0.03 A 5 LEU HB3 H 1 1.675 0.03 A 5 LEU HD1% H 1 0.965 0.03 A 5 LEU HD2% H 1 1.053 0.03 A 5 LEU HG H 1 1.838 0.03 A 5 LEU CA C 13 57.218 0.10 A 5 LEU CB C 13 41.080 0.10 A 5 LEU CD1 C 13 23.190 0.10 A 5 LEU CD2 C 13 25.237 0.10 A 5 LEU CG C 13 27.244 0.10 A 5 LEU N N 15 119.569 0.10 A 6 ARG H H 1 8.008 0.03 A 6 ARG HA H 1 4.127 0.03 A 6 ARG HB2 H 1 1.917 0.03 A 6 ARG HB3 H 1 1.917 0.03 A 6 ARG HD2 H 1 3.214 0.03 A 6 ARG HD3 H 1 3.214 0.03 A 6 ARG HE H 1 7.442 0.03 A 6 ARG HG2 H 1 1.608 0.03 A 6 ARG HG3 H 1 1.608 0.03 A 6 ARG CA C 13 58.711 0.10 A 6 ARG CB C 13 29.687 0.10 A 6 ARG CD C 13 43.370 0.10 A 6 ARG CG C 13 27.215 0.10 A 6 ARG NE N 15 85.44 0.10 A 7 PHE H H 1 7.948 0.03 A 7 PHE HA H 1 4.478 0.03 A 7 PHE HB2 H 1 3.281 0.03 A 7 PHE HB3 H 1 3.346 0.03 A 7 PHE HDx H 1 7.357 0.03 A 7 PHE HDy H 1 7.357 0.03 A 7 PHE HEx H 1 7.312 0.03 A 7 PHE HEy H 1 7.312 0.03 A 7 PHE CB C 13 39.113 0.10 A 7 PHE CDx C 13 131.650 0.10 A 7 PHE CDy C 13 131.650 0.10 A 7 PHE CEx C 13 129.787 0.10 A 7 PHE CEy C 13 129.787 0.10 A 7 PHE N N 15 118.637 0.10 A 8 VAL H H 1 8.014 0.03 A 8 VAL HA H 1 3.893 0.03 A 8 VAL HB H 1 2.343 0.03 A 8 VAL HG1% H 1 1.166 0.03 A 8 VAL HG2% H 1 1.070 0.03 A 8 VAL CA C 13 64.965 0.10 A 8 VAL CB C 13 31.865 0.10 A 8 VAL CG1 C 13 21.972 0.10 A 8 VAL CG2 C 13 21.768 0.10 A 8 VAL N N 15 116.441 0.10 A 9 ALA H H 1 8.083 0.03 A 9 ALA HA H 1 4.228 0.03 A 9 ALA HB% H 1 1.552 0.03 A 9 ALA CA C 13 54.467 0.10 A 9 ALA CB C 13 18.479 0.10 A 9 ALA N N 15 121.442 0.10 A 10 GLY H H 1 8.134 0.03 A 10 GLY HA2 H 1 3.858 0.03 A 10 GLY HA3 H 1 3.858 0.03 A 10 GLY CA C 13 44.663 0.10 A 10 GLY N N 15 104.589 0.10 A 11 TYR H H 1 8.006 0.03 A 11 TYR HA H 1 4.323 0.03 A 11 TYR HB2 H 1 3.118 0.03 A 11 TYR HB3 H 1 2.961 0.03 A 11 TYR HDx H 1 7.077 0.03 A 11 TYR HDy H 1 7.077 0.03 A 11 TYR HEx H 1 6.796 0.03 A 11 TYR HEy H 1 6.796 0.03 A 11 TYR CDx C 13 132.635 0.10 A 11 TYR CDy C 13 132.635 0.10 A 11 TYR CEx C 13 117.999 0.10 A 11 TYR CEy C 13 117.999 0.10 A 11 TYR N N 15 118.591 0.10 A 12 ASP H H 1 8.414 0.03 A 12 ASP HA H 1 4.609 0.03 A 12 ASP HB2 H 1 2.852 0.03 A 12 ASP HB3 H 1 3.022 0.03 A 12 ASP CB C 13 38.089 0.10 A 12 ASP N N 15 119.339 0.10 A 13 ILE H H 1 8.156 0.03 A 13 ILE HA H 1 3.994 0.03 A 13 ILE HB H 1 1.996 0.03 A 13 ILE HD1% H 1 0.955 0.03 A 13 ILE HG12 H 1 1.689 0.03 A 13 ILE HG13 H 1 1.278 0.03 A 13 ILE HG2% H 1 1.008 0.03 A 13 ILE CA C 13 63.147 0.10 A 13 ILE CB C 13 38.484 0.10 A 13 ILE CD1 C 13 13.353 0.10 A 13 ILE CG1 C 13 28.177 0.10 A 13 ILE CG2 C 13 17.622 0.10 A 13 ILE N N 15 119.097 0.10 A 14 ALA H H 1 8.274 0.03 A 14 ALA HA H 1 4.238 0.03 A 14 ALA HB% H 1 1.474 0.03 A 14 ALA CA C 13 53.618 0.10 A 14 ALA CB C 13 18.817 0.10 A 14 ALA N N 15 123.581 0.10 A 15 SER H H 1 8.061 0.03 A 15 SER HA H 1 4.299 0.03 A 15 SER HB2 H 1 3.781 0.03 A 15 SER HB3 H 1 3.881 0.03 A 15 SER CA C 13 59.441 0.10 A 15 SER CB C 13 63.403 0.10 A 15 SER N N 15 112.583 0.10 A 16 HIS H H 1 8.159 0.03 A 16 HIS HA H 1 4.696 0.03 A 16 HIS HB2 H 1 3.442 0.03 A 16 HIS HB3 H 1 3.273 0.03 A 16 HIS HD2 H 1 7.401 0.03 A 16 HIS HE1 H 1 8.679 0.03 A 16 HIS CB C 13 28.483 0.10 A 16 HIS CD2 C 13 120.155 0.10 A 16 HIS CE1 C 13 136.350 0.10 A 16 HIS N N 15 120.408 0.10 A 17 LYS H H 1 8.080 0.03 A 17 LYS HA H 1 4.325 0.03 A 17 LYS HB2 H 1 1.897 0.03 A 17 LYS HB3 H 1 1.813 0.03 A 17 LYS HD2 H 1 1.728 0.03 A 17 LYS HD3 H 1 1.728 0.03 A 17 LYS HE2 H 1 3.031 0.03 A 17 LYS HE3 H 1 3.031 0.03 A 17 LYS HG2 H 1 1.492 0.03 A 17 LYS HG3 H 1 1.492 0.03 A 17 LYS HZ1 H 1 7.616 0.03 A 17 LYS HZ2 H 1 7.616 0.03 A 17 LYS HZ3 H 1 7.616 0.03 A 17 LYS CA C 13 56.682 0.10 A 17 LYS CB C 13 32.996 0.10 A 17 LYS CD C 13 28.999 0.10 A 17 LYS CE C 13 42.104 0.10 A 17 LYS CG C 13 24.688 0.10 A 17 LYS N N 15 120.845 0.10 A 18 LYS H H 1 8.231 0.03 A 18 LYS HA H 1 4.333 0.03 A 18 LYS HB2 H 1 1.888 0.03 A 18 LYS HB3 H 1 1.807 0.03 A 18 LYS HD2 H 1 1.717 0.03 A 18 LYS HD3 H 1 1.717 0.03 A 18 LYS HE2 H 1 3.018 0.03 A 18 LYS HE3 H 1 3.018 0.03 A 18 LYS HG2 H 1 1.483 0.03 A 18 LYS HG3 H 1 1.483 0.03 A 18 LYS HZ1 H 1 7.682 0.03 A 18 LYS HZ2 H 1 7.682 0.03 A 18 LYS HZ3 H 1 7.682 0.03 A 18 LYS CA C 13 56.579 0.10 A 18 LYS CE C 13 42.044 0.10 A 18 LYS CG C 13 24.499 0.10 A 18 LYS N N 15 121.661 0.10 A 19 LYS H H 1 8.392 0.03 A 19 LYS HA H 1 4.401 0.03 A 19 LYS HB2 H 1 1.832 0.03 A 19 LYS HB3 H 1 1.908 0.03 A 19 LYS HD2 H 1 1.717 0.03 A 19 LYS HD3 H 1 1.717 0.03 A 19 LYS HE2 H 1 3.028 0.03 A 19 LYS HE3 H 1 3.028 0.03 A 19 LYS HG2 H 1 1.494 0.03 A 19 LYS HG3 H 1 1.494 0.03 A 19 LYS HZ1 H 1 7.604 0.03 A 19 LYS HZ2 H 1 7.604 0.03 A 19 LYS HZ3 H 1 7.604 0.03 A 19 LYS CA C 13 56.600 0.10 A 19 LYS CB C 13 32.973 0.10 A 19 LYS CD C 13 29.062 0.10 A 19 LYS CG C 13 24.726 0.10 A 19 LYS N N 15 122.316 0.10 A 20 THR H H 1 8.085 0.03 A 20 THR HA H 1 4.405 0.03 A 20 THR HB H 1 4.286 0.03 A 20 THR HG2% H 1 1.232 0.03 A 20 THR CA C 13 61.680 0.10 A 20 THR CB C 13 69.817 0.10 A 20 THR CG2 C 13 21.530 0.10 A 20 THR N N 15 113.974 0.10 A 21 GLY H H 1 8.360 0.03 A 21 GLY HA2 H 1 4.016 0.03 A 21 GLY HA3 H 1 3.958 0.03 A 21 GLY CA C 13 45.310 0.10 A 21 GLY N N 15 110.706 0.10 A 22 GLY H H 1 8.146 0.03 A 22 GLY HA2 H 1 3.995 0.03 A 22 GLY HA3 H 1 3.995 0.03 A 22 GLY CA C 13 45.175 0.10 A 22 GLY N N 15 107.728 0.10 A 23 TYR H H 1 7.870 0.03 A 23 TYR HA H 1 4.507 0.03 A 23 TYR HB2 H 1 1.987 0.03 A 23 TYR HB3 H 1 1.833 0.03 A 23 TYR HDx H 1 6.994 0.03 A 23 TYR HDy H 1 6.994 0.03 A 23 TYR HEx H 1 6.901 0.03 A 23 TYR HEy H 1 6.901 0.03 A 23 TYR CDx C 13 132.932 0.10 A 23 TYR CDy C 13 132.932 0.10 A 23 TYR CEx C 13 118.054 0.10 A 23 TYR CEy C 13 118.054 0.10 A 23 TYR N N 15 119.224 0.10 A 24 PRO HA H 1 4.381 0.03 A 24 PRO HB2 H 1 1.967 0.03 A 24 PRO HB3 H 1 2.373 0.03 A 24 PRO HD2 H 1 3.332 0.03 A 24 PRO HD3 H 1 3.846 0.03 A 24 PRO HG2 H 1 2.115 0.03 A 24 PRO HG3 H 1 1.979 0.03 A 24 PRO CA C 13 64.447 0.10 A 24 PRO CB C 13 31.516 0.10 A 24 PRO CD C 13 50.171 0.10 A 24 PRO CG C 13 27.448 0.10 A 25 TRP H H 1 6.924 0.03 A 25 TRP HA H 1 4.386 0.03 A 25 TRP HB2 H 1 3.253 0.03 A 25 TRP HB3 H 1 3.524 0.03 A 25 TRP HD1 H 1 7.308 0.03 A 25 TRP HE1 H 1 10.720 0.03 A 25 TRP HE3 H 1 7.527 0.03 A 25 TRP HH2 H 1 6.970 0.03 A 25 TRP HZ2 H 1 7.156 0.03 A 25 TRP HZ3 H 1 7.062 0.03 A 25 TRP CA C 13 57.752 0.10 A 25 TRP CB C 13 28.488 0.10 A 25 TRP CD1 C 13 127.423 0.10 A 25 TRP CE3 C 13 119.435 0.10 A 25 TRP CH2 C 13 124.056 0.10 A 25 TRP CZ2 C 13 115.224 0.10 A 25 TRP CZ3 C 13 121.436 0.10 A 26 GLU H H 1 7.653 0.03 A 26 GLU HA H 1 4.453 0.03 A 26 GLU HB2 H 1 2.164 0.03 A 26 GLU HB3 H 1 1.975 0.03 A 26 GLU HG2 H 1 2.430 0.03 A 26 GLU HG3 H 1 2.191 0.03 A 26 GLU CA C 13 55.645 0.10 A 26 GLU CB C 13 28.805 0.10 A 26 GLU CG C 13 33.293 0.10 A 26 GLU N N 15 119.971 0.10 A 27 ARG H H 1 8.162 0.03 A 27 ARG HA H 1 4.357 0.03 A 27 ARG HB2 H 1 1.954 0.03 A 27 ARG HB3 H 1 1.831 0.03 A 27 ARG HD2 H 1 3.251 0.03 A 27 ARG HD3 H 1 3.251 0.03 A 27 ARG HE H 1 7.395 0.03 A 27 ARG HG2 H 1 1.711 0.03 A 27 ARG HG3 H 1 1.711 0.03 A 27 ARG CA C 13 56.406 0.10 A 27 ARG CB C 13 30.763 0.10 A 27 ARG CD C 13 43.370 0.10 A 27 ARG CG C 13 27.157 0.10 A 27 ARG N N 15 120.787 0.10 A 27 ARG NE N 15 85.32 0.10 A 28 GLY H H 1 8.483 0.03 A 28 GLY HA2 H 1 4.005 0.03 A 28 GLY HA3 H 1 4.005 0.03 A 28 GLY N N 15 109.282 0.10 A 29 LYS H H 1 8.112 0.03 A 29 LYS HA H 1 4.403 0.03 A 29 LYS HB2 H 1 1.912 0.03 A 29 LYS HB3 H 1 1.797 0.03 A 29 LYS HD2 H 1 1.728 0.03 A 29 LYS HD3 H 1 1.728 0.03 A 29 LYS HE2 H 1 3.047 0.03 A 29 LYS HE3 H 1 3.047 0.03 A 29 LYS HG2 H 1 1.466 0.03 A 29 LYS HG3 H 1 1.498 0.03 A 29 LYS CA C 13 55.875 0.10 A 29 LYS CB C 13 33.293 0.10 A 29 LYS CD C 13 28.960 0.10 A 29 LYS CE C 13 41.931 0.10 A 29 LYS CG C 13 28.960 0.10 A 29 LYS N N 15 120.396 0.10 A 30 ALA H H 1 8.319 0.03 A 30 ALA HA H 1 4.344 0.03 A 30 ALA HB% H 1 1.457 0.03 A 30 ALA CA C 13 51.860 0.10 A 30 ALA CB C 13 19.224 0.10 A 30 ALA N N 15 126.340 0.10 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 11 TYR HD% A 12 ASP H 1.0 . 4.44 2 2 A 26 GLU H A 27 ARG H 1.0 . 3.92 3 3 A 22 GLY H A 23 TYR H 1.0 . 4.27 4 4 A 12 ASP H A 11 TYR H 1.0 . 3.92 5 5 A 23 TYR HD% A 25 TRP HE3 1.0 . 3.98 6 6 A 23 TYR H A 23 TYR HD% 1.0 . 3.91 7 7 A 23 TYR H A 23 TYR HE% 1.0 . 5.05 8 8 A 11 TYR HD% A 13 ILE H 1.0 . 5.32 9 9 A 22 GLY H A 23 TYR HD% 1.0 . 5.50 10 10 A 27 ARG H A 25 TRP H 1.0 . 5.31 11 11 A 2 LYS H A 3 THR H 1.0 . 4.90 12 12 A 4 ILE H A 5 LEU H 1.0 . 3.80 13 13 A 28 GLY H A 29 LYS H 1.0 . 4.39 14 14 A 12 ASP H A 13 ILE H 1.0 . 4.12 15 15 A 18 LYS H A 19 LYS H 1.0 . 4.33 16 16 A 18 LYS H A 17 LYS H 1.0 . 3.64 17 17 A 3 THR H A 4 ILE H 1.0 . 3.61 18 18 A 4 ILE H A 6 ARG H 1.0 . 4.55 19 19 A 19 LYS H A 20 THR H 1.0 . 4.12 20 20 A 27 ARG H A 28 GLY H 1.0 . 4.07 21 21 A 22 GLY H A 21 GLY H 1.0 . 4.24 22 22 A 20 THR H A 21 GLY H 1.0 . 4.27 23 23 A 29 LYS H A 30 ALA H 1.0 . 4.09 24 24 A 14 ALA H A 15 SER H 1.0 . 4.71 25 25 A 13 ILE H A 14 ALA H 1.0 . 3.45 26 26 A 11 TYR HD% A 11 TYR H 1.0 . 4.26 27 27 A 26 GLU H A 25 TRP HZ2 1.0 . 5.37 28 28 A 26 GLU H A 25 TRP H 1.0 . 3.59 29 29 A 25 TRP HE3 A 25 TRP H 1.0 . 3.65 30 30 A 25 TRP H A 25 TRP HD1 1.0 . 5.00 31 31 A 23 TYR HD% A 25 TRP HZ3 1.0 . 3.20 32 32 A 25 TRP HE3 A 26 GLU HA 1.0 . 5.42 33 33 A 7 PHE HA A 7 PHE HD% 1.0 . 3.46 34 34 A 25 TRP HD1 A 26 GLU HA 1.0 . 4.36 35 35 A 16 HIS HA A 16 HIS HD2 1.0 . 4.77 36 36 A 11 TYR HD% A 12 ASP HA 1.0 . 4.32 37 37 A 23 TYR HD% A 23 TYR HA 1.0 . 3.49 38 38 A 23 TYR HE% A 23 TYR HA 1.0 . 4.82 39 39 A 25 TRP H A 23 TYR HA 1.0 . 5.17 40 40 A 11 TYR HA A 11 TYR HE% 1.0 . 4.91 41 41 A 11 TYR HD% A 11 TYR HA 1.0 . 3.52 42 42 A 7 PHE HD% A 5 LEU HA 1.0 . 5.50 43 43 A 7 PHE HD% A 4 ILE HA 1.0 . 3.89 44 44 A 27 ARG HE A 28 GLY HA2 1.0 . 4.51 45 44 A 27 ARG HE A 28 GLY HA3 1.0 . 4.51 46 45 A 11 TYR HD% A 8 VAL HA 1.0 . 4.33 47 46 A 23 TYR HD% A 24 PRO HD3 1.0 . 4.14 48 47 A 26 GLU H A 25 TRP HB2 1.0 . 4.63 49 48 A 26 GLU H A 25 TRP HB3 1.0 . 4.55 50 49 A 25 TRP HE3 A 25 TRP HB3 1.0 . 3.61 51 50 A 25 TRP H A 25 TRP HB2 1.0 . 3.96 52 51 A 23 TYR HD% A 24 PRO HD2 1.0 . 4.14 53 52 A 25 TRP H A 24 PRO HB3 1.0 . 4.63 54 53 A 25 TRP H A 23 TYR HB3 1.0 . 4.49 55 54 A 25 TRP H A 24 PRO HB2 1.0 . 4.63 56 55 A 25 TRP H A 23 TYR HB2 1.0 . 4.49 57 56 A 23 TYR HD% A 26 GLU HB2 1.0 . 3.89 58 57 A 25 TRP HZ3 A 23 TYR HB3 1.0 . 4.93 59 58 A 25 TRP HD1 A 26 GLU HB2 1.0 . 4.85 60 59 A 25 TRP HD1 A 26 GLU HG3 1.0 . 4.30 61 60 A 25 TRP HD1 A 26 GLU HG2 1.0 . 4.30 62 61 A 6 ARG HE A 6 ARG HG2 1.0 . 3.79 63 61 A 6 ARG HG3 A 6 ARG HE 1.0 . 3.79 64 62 A 27 ARG HE A 27 ARG HG2 1.0 . 4.15 65 62 A 27 ARG HE A 27 ARG HG3 1.0 . 4.15 66 63 A 6 ARG HE A 6 ARG HB2 1.0 . 4.20 67 63 A 6 ARG HE A 6 ARG HB3 1.0 . 4.20 68 64 A 26 GLU H A 26 GLU HB2 1.0 . 4.01 69 65 A 26 GLU H A 26 GLU HB3 1.0 . 3.65 70 66 A 26 GLU H A 26 GLU HG2 1.0 . 4.50 71 67 A 23 TYR HE% A 26 GLU HB3 1.0 . 5.50 72 68 A 25 TRP H A 26 GLU HB3 1.0 . 5.50 73 69 A 25 TRP HZ2 A 26 GLU HB2 1.0 . 4.92 74 70 A 27 ARG HE A 27 ARG HB2 1.0 . 4.82 75 71 A 27 ARG HE A 27 ARG HB3 1.0 . 4.82 76 72 A 7 PHE HD% A 6 ARG HG2 1.0 . 5.50 77 72 A 7 PHE HD% A 6 ARG HG3 1.0 . 5.50 78 73 A 11 TYR HD% A 8 VAL HG2% 1.0 . 4.59 79 74 A 11 TYR HD% A 8 VAL HG1% 1.0 . 5.43 80 75 A 7 PHE HD% A 4 ILE HG2% 1.0 . 3.94 81 76 A 3 THR HG2% A 7 PHE HE% 1.0 . 4.12 82 77 A 3 THR HG2% A 7 PHE HZ 1.0 . 5.27 83 78 A 4 ILE H A 4 ILE HG2% 1.0 . 3.59 84 79 A 14 ALA H A 13 ILE HG2% 1.0 . 3.95 85 80 A 8 VAL HG2% A 8 VAL H 1.0 . 4.04 86 81 A 11 TYR H A 8 VAL HG2% 1.0 . 4.42 87 82 A 8 VAL H A 4 ILE HD1% 1.0 . 4.40 88 83 A 5 LEU H A 4 ILE HD1% 1.0 . 4.35 89 84 A 5 LEU H A 5 LEU HD1% 1.0 . 4.17 90 85 A 5 LEU H A 8 VAL HG1% 1.0 . 4.69 91 86 A 5 LEU H A 3 THR HG2% 1.0 . 5.30 92 87 A 6 ARG H A 3 THR HG2% 1.0 . 4.83 93 88 A 13 ILE H A 13 ILE HG12 1.0 . 4.02 94 89 A 21 GLY H A 20 THR HG2% 1.0 . 4.51 95 90 A 3 THR H A 3 THR HG2% 1.0 . 4.18 96 91 A 4 ILE H A 3 THR HG2% 1.0 . 4.53 97 92 A 4 ILE H A 4 ILE HG13 1.0 . 3.94 98 93 A 30 ALA H A 29 LYS HG2 1.0 . 3.96 99 93 A 30 ALA H A 29 LYS HG3 1.0 . 3.96 100 94 A 18 LYS H A 18 LYS HG2 1.0 . 4.50 101 94 A 18 LYS H A 18 LYS HG3 1.0 . 4.50 102 95 A 13 ILE H A 14 ALA HB% 1.0 . 4.10 103 96 A 19 LYS H A 18 LYS HG2 1.0 . 4.03 104 96 A 19 LYS H A 18 LYS HG3 1.0 . 4.03 105 97 A 19 LYS H A 19 LYS HG2 1.0 . 4.23 106 97 A 19 LYS H A 19 LYS HG3 1.0 . 4.23 107 98 A 4 ILE H A 4 ILE HG12 1.0 . 3.94 108 99 A 3 THR H A 2 LYS HB2 1.0 . 4.63 109 100 A 19 LYS H A 18 LYS HD2 1.0 . 5.50 110 100 A 19 LYS H A 18 LYS HD3 1.0 . 5.50 111 101 A 19 LYS H A 19 LYS HB3 1.0 . 3.64 112 102 A 3 THR H A 2 LYS HB3 1.0 . 4.63 113 103 A 30 ALA H A 29 LYS HB3 1.0 . 4.20 114 104 A 30 ALA H A 29 LYS HB2 1.0 . 4.20 115 105 A 30 ALA H A 29 LYS HD2 1.0 . 4.90 116 105 A 30 ALA H A 29 LYS HD3 1.0 . 4.90 117 106 A 18 LYS H A 17 LYS HD2 1.0 . 5.28 118 106 A 18 LYS H A 17 LYS HD3 1.0 . 5.28 119 107 A 18 LYS H A 18 LYS HD2 1.0 . 5.50 120 107 A 18 LYS H A 18 LYS HD3 1.0 . 5.50 121 108 A 13 ILE H A 13 ILE HG13 1.0 . 4.02 122 109 A 20 THR H A 19 LYS HD2 1.0 . 4.73 123 109 A 20 THR H A 19 LYS HD3 1.0 . 4.73 124 110 A 29 LYS H A 29 LYS HD2 1.0 . 4.75 125 110 A 29 LYS H A 29 LYS HD3 1.0 . 4.75 126 111 A 17 LYS H A 17 LYS HB3 1.0 . 3.99 127 112 A 20 THR H A 19 LYS HB3 1.0 . 4.34 128 113 A 6 ARG H A 5 LEU HG 1.0 . 4.78 129 114 A 9 ALA HB% A 10 GLY H 1.0 . 3.41 130 115 A 29 LYS H A 29 LYS HG2 1.0 . 3.72 131 115 A 29 LYS H A 29 LYS HG3 1.0 . 3.72 132 116 A 6 ARG H A 6 ARG HG2 1.0 . 3.58 133 116 A 6 ARG H A 6 ARG HG3 1.0 . 3.58 134 117 A 5 LEU H A 5 LEU HB2 1.0 . 3.61 135 118 A 5 LEU H A 6 ARG HG2 1.0 . 5.06 136 118 A 5 LEU H A 6 ARG HG3 1.0 . 5.06 137 119 A 7 PHE H A 6 ARG HG2 1.0 . 5.28 138 119 A 6 ARG HG3 A 7 PHE H 1.0 . 5.28 139 120 A 18 LYS H A 17 LYS HB3 1.0 . 4.08 140 121 A 18 LYS H A 17 LYS HB2 1.0 . 4.08 141 122 A 14 ALA H A 13 ILE HB 1.0 . 3.62 142 123 A 13 ILE H A 13 ILE HB 1.0 . 3.21 143 124 A 27 ARG H A 27 ARG HB2 1.0 . 3.69 144 125 A 27 ARG H A 26 GLU HB3 1.0 . 4.41 145 126 A 5 LEU H A 4 ILE HB 1.0 . 4.03 146 127 A 23 TYR H A 26 GLU HB3 1.0 . 4.46 147 128 A 23 TYR H A 23 TYR HB3 1.0 . 3.86 148 129 A 23 TYR H A 23 TYR HB2 1.0 . 3.86 149 130 A 5 LEU H A 5 LEU HG 1.0 . 3.47 150 131 A 7 PHE H A 6 ARG HB2 1.0 . 3.15 151 131 A 6 ARG HB3 A 7 PHE H 1.0 . 3.15 152 132 A 6 ARG H A 6 ARG HB2 1.0 . 3.20 153 132 A 6 ARG H A 6 ARG HB3 1.0 . 3.20 154 133 A 6 ARG H A 5 LEU HB3 1.0 . 3.56 155 134 A 20 THR H A 19 LYS HB2 1.0 . 4.34 156 135 A 7 PHE H A 8 VAL HB 1.0 . 5.38 157 136 A 8 VAL HB A 9 ALA H 1.0 . 4.08 158 137 A 10 GLY H A 8 VAL HB 1.0 . 5.50 159 138 A 12 ASP H A 12 ASP HB3 1.0 . 3.48 160 139 A 13 ILE H A 12 ASP HB3 1.0 . 4.30 161 140 A 13 ILE H A 12 ASP HB2 1.0 . 4.16 162 141 A 11 TYR H A 11 TYR HB3 1.0 . 3.49 163 142 A 12 ASP H A 11 TYR HB3 1.0 . 4.03 164 143 A 12 ASP H A 12 ASP HB2 1.0 . 3.55 165 144 A 12 ASP H A 11 TYR HB2 1.0 . 3.91 166 145 A 11 TYR H A 11 TYR HB2 1.0 . 3.51 167 146 A 17 LYS H A 16 HIS HB3 1.0 . 4.36 168 147 A 16 HIS HB3 A 16 HIS H 1.0 . 3.67 169 148 A 8 VAL H A 7 PHE HB2 1.0 . 3.76 170 149 A 17 LYS H A 16 HIS HB2 1.0 . 4.36 171 150 A 16 HIS H A 16 HIS HB2 1.0 . 3.67 172 151 A 23 TYR H A 22 GLY HA2 1.0 . 3.09 173 151 A 23 TYR H A 22 GLY HA3 1.0 . 3.09 174 152 A 22 GLY H A 22 GLY HA2 1.0 . 2.81 175 152 A 22 GLY H A 22 GLY HA3 1.0 . 2.81 176 153 A 12 ASP H A 8 VAL HA 1.0 . 4.85 177 154 A 21 GLY H A 22 GLY HA2 1.0 . 5.16 178 154 A 21 GLY H A 22 GLY HA3 1.0 . 5.16 179 155 A 4 ILE H A 3 THR HA 1.0 . 3.46 180 156 A 4 ILE H A 3 THR HB 1.0 . 3.67 181 157 A 3 THR H A 2 LYS HA 1.0 . 3.01 182 158 A 28 GLY H A 27 ARG HA 1.0 . 3.48 183 159 A 12 ASP H A 9 ALA HA 1.0 . 4.45 184 160 A 12 ASP H A 13 ILE HA 1.0 . 5.37 185 161 A 30 ALA H A 28 GLY HA2 1.0 . 4.38 186 161 A 30 ALA H A 28 GLY HA3 1.0 . 4.38 187 162 A 14 ALA H A 13 ILE HA 1.0 . 3.53 188 163 A 21 GLY H A 20 THR HB 1.0 . 4.49 189 164 A 19 LYS H A 18 LYS HA 1.0 . 2.86 190 165 A 21 GLY H A 20 THR HA 1.0 . 3.24 191 166 A 30 ALA H A 29 LYS HA 1.0 . 3.56 192 167 A 14 ALA H A 11 TYR HA 1.0 . 3.90 193 168 A 18 LYS H A 18 LYS HA 1.0 . 2.94 194 169 A 13 ILE H A 12 ASP HA 1.0 . 3.53 195 170 A 27 ARG H A 26 GLU HA 1.0 . 3.19 196 171 A 10 GLY H A 9 ALA HA 1.0 . 3.47 197 172 A 10 GLY H A 6 ARG HA 1.0 . 5.28 198 173 A 11 TYR H A 8 VAL HA 1.0 . 4.08 199 174 A 15 SER H A 13 ILE HA 1.0 . 4.23 200 175 A 17 LYS H A 14 ALA HA 1.0 . 3.68 201 176 A 20 THR H A 19 LYS HA 1.0 . 3.35 202 177 A 6 ARG H A 3 THR HA 1.0 . 4.15 203 178 A 4 ILE HA A 7 PHE H 1.0 . 4.30 204 179 A 7 PHE HA A 9 ALA H 1.0 . 4.33 205 180 A 15 SER H A 12 ASP HA 1.0 . 4.80 206 181 A 8 VAL HG2% A 9 ALA HA 1.0 . 3.93 207 182 A 4 ILE HA A 4 ILE HG2% 1.0 . 3.27 208 183 A 13 ILE HG2% A 13 ILE HA 1.0 . 3.36 209 184 A 13 ILE HD1% A 10 GLY HA2 1.0 . 4.40 210 184 A 10 GLY HA3 A 13 ILE HD1% 1.0 . 4.40 211 185 A 13 ILE HA A 13 ILE HD1% 1.0 . 4.58 212 186 A 10 GLY HA3 A 13 ILE HG12 1.0 . 4.36 213 186 A 13 ILE HG12 A 10 GLY HA2 1.0 . 4.36 214 187 A 8 VAL HG1% A 6 ARG HA 1.0 . 4.68 215 188 A 4 ILE HA A 3 THR HG2% 1.0 . 5.17 216 189 A 4 ILE HA A 4 ILE HG13 1.0 . 4.22 217 190 A 6 ARG HA A 6 ARG HG2 1.0 . 3.38 218 190 A 6 ARG HG3 A 6 ARG HA 1.0 . 3.38 219 191 A 4 ILE HA A 4 ILE HG12 1.0 . 4.22 220 192 A 5 LEU HB2 A 3 THR HA 1.0 . 4.56 221 193 A 20 THR HB A 19 LYS HD2 1.0 . 5.50 222 193 A 19 LYS HD3 A 20 THR HB 1.0 . 5.50 223 194 A 28 GLY HA3 A 29 LYS HG2 1.0 . 4.69 224 194 A 28 GLY HA2 A 29 LYS HG2 1.0 . 4.69 225 194 A 29 LYS HG3 A 28 GLY HA2 1.0 . 4.69 226 194 A 28 GLY HA3 A 29 LYS HG3 1.0 . 4.69 227 195 A 10 GLY HA3 A 13 ILE HG13 1.0 . 4.36 228 195 A 10 GLY HA2 A 13 ILE HG13 1.0 . 4.36 229 196 A 5 LEU HA A 5 LEU HG 1.0 . 3.97 230 197 A 6 ARG HA A 6 ARG HB2 1.0 . 3.01 231 197 A 6 ARG HB3 A 6 ARG HA 1.0 . 3.01 232 198 A 13 ILE HB A 10 GLY HA2 1.0 . 3.59 233 198 A 13 ILE HB A 10 GLY HA3 1.0 . 3.59 234 199 A 5 LEU HA A 4 ILE HB 1.0 . 4.86 235 200 A 12 ASP HB3 A 9 ALA HA 1.0 . 4.38 236 201 A 12 ASP HB2 A 9 ALA HA 1.0 . 4.19 237 202 A 27 ARG HA A 27 ARG HD2 1.0 . 4.23 238 202 A 27 ARG HA A 27 ARG HD3 1.0 . 4.23 239 203 A 6 ARG HA A 6 ARG HD2 1.0 . 4.14 240 203 A 6 ARG HA A 6 ARG HD3 1.0 . 4.14 241 204 A 4 ILE HA A 7 PHE HB2 1.0 . 3.80 242 205 A 27 ARG HD3 A 28 GLY HA2 1.0 . 3.87 243 205 A 27 ARG HD2 A 28 GLY HA2 1.0 . 3.87 244 205 A 28 GLY HA3 A 27 ARG HD2 1.0 . 3.87 245 205 A 28 GLY HA3 A 27 ARG HD3 1.0 . 3.87 246 206 A 20 THR HB A 20 THR HA 1.0 . 2.76 247 207 A 3 THR HA A 3 THR HB 1.0 . 2.87 248 208 A 8 VAL HB A 7 PHE HB2 1.0 . 4.90 249 209 A 6 ARG HB2 A 6 ARG HD2 1.0 . 3.42 250 209 A 6 ARG HB3 A 6 ARG HD2 1.0 . 3.42 251 209 A 6 ARG HD3 A 6 ARG HB2 1.0 . 3.42 252 209 A 6 ARG HB3 A 6 ARG HD3 1.0 . 3.42 253 210 A 8 VAL HG1% A 12 ASP HB2 1.0 . 5.29 254 211 A 20 THR HG2% A 19 LYS HE2 1.0 . 4.62 255 211 A 20 THR HG2% A 19 LYS HE3 1.0 . 4.62 256 212 A 17 LYS HE3 A 17 LYS HG2 1.0 . 3.76 257 212 A 17 LYS HE2 A 17 LYS HG2 1.0 . 3.76 258 212 A 17 LYS HG3 A 17 LYS HE2 1.0 . 3.76 259 212 A 17 LYS HG3 A 17 LYS HE3 1.0 . 3.76 260 213 A 18 LYS HE3 A 18 LYS HG2 1.0 . 4.19 261 213 A 18 LYS HE2 A 18 LYS HG2 1.0 . 4.19 262 213 A 18 LYS HG3 A 18 LYS HE2 1.0 . 4.19 263 213 A 18 LYS HG3 A 18 LYS HE3 1.0 . 4.19 264 214 A 18 LYS HD2 A 18 LYS HE2 1.0 . 2.77 265 214 A 18 LYS HD3 A 18 LYS HE2 1.0 . 2.77 266 214 A 18 LYS HE3 A 18 LYS HD2 1.0 . 2.77 267 214 A 18 LYS HD3 A 18 LYS HE3 1.0 . 2.77 268 215 A 29 LYS HD3 A 29 LYS HB2 1.0 . 3.64 269 215 A 29 LYS HB2 A 29 LYS HD2 1.0 . 3.64 270 216 A 29 LYS HD3 A 29 LYS HB3 1.0 . 3.64 271 216 A 29 LYS HB3 A 29 LYS HD2 1.0 . 3.64 272 217 A 8 VAL HG1% A 4 ILE HD1% 1.0 . 3.10 273 218 A 4 ILE HG2% A 4 ILE HG13 1.0 . 3.16 274 219 A 4 ILE HG2% A 4 ILE HG12 1.0 . 3.16 275 220 A 5 LEU HB3 A 5 LEU HD2% 1.0 . 3.59 276 221 A 5 LEU HB3 A 5 LEU HD1% 1.0 . 3.59 277 222 A 17 LYS HD3 A 17 LYS HG2 1.0 . 2.69 278 222 A 17 LYS HD2 A 17 LYS HG2 1.0 . 2.69 279 222 A 17 LYS HG3 A 17 LYS HD2 1.0 . 2.69 280 222 A 17 LYS HD3 A 17 LYS HG3 1.0 . 2.69 281 223 A 19 LYS HD2 A 19 LYS HG2 1.0 . 3.01 282 223 A 19 LYS HD3 A 19 LYS HG2 1.0 . 3.01 283 223 A 19 LYS HG3 A 19 LYS HD2 1.0 . 3.01 284 223 A 19 LYS HG3 A 19 LYS HD3 1.0 . 3.01 285 224 A 13 ILE HB A 13 ILE HD1% 1.0 . 3.38 286 225 A 4 ILE HD1% A 4 ILE HB 1.0 . 3.50 287 226 A 2 LYS HB2 A 5 LEU HD1% 1.0 . 3.52 288 227 A 8 VAL HG1% A 4 ILE HB 1.0 . 5.02 289 228 A 1 MET HE% A 5 LEU HD2% 1.0 . 5.22 290 229 A 1 MET HE% A 5 LEU HD1% 1.0 . 5.22 291 230 A 14 ALA HB% A 10 GLY HA2 1.0 . 4.79 292 230 A 14 ALA HB% A 10 GLY HA3 1.0 . 4.79 293 231 A 8 VAL HA A 9 ALA HB% 1.0 . 5.10 294 232 A 9 ALA HB% A 10 GLY HA2 1.0 . 4.51 295 232 A 9 ALA HB% A 10 GLY HA3 1.0 . 4.51 296 233 A 8 VAL HA A 8 VAL HG1% 1.0 . 3.39 297 234 A 8 VAL HA A 8 VAL HG2% 1.0 . 3.30 298 235 A 4 ILE HA A 4 ILE HD1% 1.0 . 3.81 299 236 A 5 LEU HA A 5 LEU HD1% 1.0 . 3.96 300 237 A 13 ILE HG2% A 14 ALA HA 1.0 . 3.97 301 238 A 5 LEU HA A 5 LEU HD2% 1.0 . 3.96 302 239 A 5 LEU HA A 8 VAL HG1% 1.0 . 3.54 303 240 A 9 ALA HB% A 6 ARG HA 1.0 . 3.30 304 241 A 17 LYS HA A 17 LYS HG2 1.0 . 4.11 305 241 A 17 LYS HG3 A 17 LYS HA 1.0 . 4.11 306 242 A 29 LYS HA A 29 LYS HG2 1.0 . 3.71 307 242 A 29 LYS HG3 A 29 LYS HA 1.0 . 3.71 308 243 A 20 THR HG2% A 20 THR HA 1.0 . 3.46 309 244 A 27 ARG HA A 27 ARG HG2 1.0 . 3.63 310 244 A 27 ARG HG3 A 27 ARG HA 1.0 . 3.63 311 245 A 19 LYS HA A 19 LYS HD2 1.0 . 4.12 312 245 A 19 LYS HD3 A 19 LYS HA 1.0 . 4.12 313 246 A 29 LYS HA A 29 LYS HD2 1.0 . 4.53 314 246 A 29 LYS HD3 A 29 LYS HA 1.0 . 4.53 315 247 A 5 LEU HA A 8 VAL HB 1.0 . 4.10 316 248 A 26 GLU HA A 26 GLU HG2 1.0 . 4.07 317 249 A 26 GLU HA A 26 GLU HG3 1.0 . 4.07 318 250 A 4 ILE HG2% A 2 LYS HA 1.0 . 5.34 319 251 A 7 PHE HD% A 8 VAL HG1% 1.0 . 5.19 320 252 A 4 ILE HG2% A 7 PHE HE% 1.0 . 5.10 321 253 A 7 PHE HD% A 4 ILE HD1% 1.0 . 4.90 322 254 A 26 GLU H A 26 GLU HG3 1.0 . 4.50 323 255 A 8 VAL H A 8 VAL HB 1.0 . 3.51 324 256 A 5 LEU H A 5 LEU HB3 1.0 . 3.56 325 257 A 5 LEU H A 2 LYS HD2 1.0 . 4.81 326 257 A 5 LEU H A 2 LYS HD3 1.0 . 4.81 327 258 A 9 ALA HB% A 7 PHE H 1.0 . 4.37 328 259 A 8 VAL HG1% A 7 PHE H 1.0 . 4.04 329 260 A 5 LEU H A 4 ILE HG2% 1.0 . 4.23 330 261 A 5 LEU H A 5 LEU HD2% 1.0 . 4.17 331 262 A 8 VAL HG1% A 8 VAL H 1.0 . 3.29 332 263 A 20 THR H A 20 THR HG2% 1.0 . 3.66 333 264 A 8 VAL HG1% A 9 ALA H 1.0 . 3.81 334 265 A 8 VAL HG2% A 9 ALA H 1.0 . 3.91 335 266 A 15 SER H A 13 ILE HG2% 1.0 . 5.50 336 267 A 17 LYS H A 13 ILE HG2% 1.0 . 5.50 337 268 A 13 ILE H A 13 ILE HG2% 1.0 . 3.80 338 269 A 13 ILE H A 13 ILE HD1% 1.0 . 4.12 339 270 A 15 SER H A 13 ILE HD1% 1.0 . 5.50 340 271 A 14 ALA H A 13 ILE HD1% 1.0 . 4.94 341 272 A 3 THR H A 4 ILE HG2% 1.0 . 4.58 342 273 A 4 ILE H A 4 ILE HD1% 1.0 . 4.72 343 274 A 17 LYS H A 17 LYS HB2 1.0 . 3.99 344 275 A 6 ARG H A 5 LEU HB2 1.0 . 3.87 345 276 A 6 ARG H A 9 ALA HB% 1.0 . 5.01 346 277 A 8 VAL H A 9 ALA HB% 1.0 . 5.48 347 278 A 11 TYR H A 9 ALA HB% 1.0 . 5.50 348 279 A 9 ALA HB% A 9 ALA H 1.0 . 2.89 349 280 A 15 SER H A 14 ALA HB% 1.0 . 3.27 350 281 A 18 LYS H A 17 LYS HG2 1.0 . 3.91 351 281 A 18 LYS H A 17 LYS HG3 1.0 . 3.91 352 282 A 14 ALA H A 14 ALA HB% 1.0 . 3.02 353 283 A 30 ALA H A 30 ALA HB% 1.0 . 3.60 354 284 A 12 ASP H A 9 ALA HB% 1.0 . 5.44 355 285 A 27 ARG H A 27 ARG HB3 1.0 . 3.69 356 286 A 19 LYS H A 19 LYS HB2 1.0 . 3.64 357 287 A 19 LYS H A 19 LYS HD2 1.0 . 5.23 358 287 A 19 LYS H A 19 LYS HD3 1.0 . 5.23 359 288 A 28 GLY H A 27 ARG HB2 1.0 . 4.76 360 289 A 28 GLY H A 27 ARG HB3 1.0 . 4.76 361 290 A 28 GLY H A 27 ARG HG2 1.0 . 4.47 362 290 A 28 GLY H A 27 ARG HG3 1.0 . 4.47 363 291 A 4 ILE H A 4 ILE HB 1.0 . 3.65 364 292 A 2 LYS H A 1 MET HB3 1.0 . 5.12 365 293 A 17 LYS H A 17 LYS HE2 1.0 . 5.50 366 293 A 17 LYS H A 17 LYS HE3 1.0 . 5.50 367 294 A 20 THR H A 19 LYS HE2 1.0 . 5.50 368 294 A 20 THR H A 19 LYS HE3 1.0 . 5.50 369 295 A 7 PHE H A 7 PHE HB3 1.0 . 3.61 370 296 A 8 VAL H A 7 PHE HB3 1.0 . 3.81 371 297 A 6 ARG H A 6 ARG HD2 1.0 . 4.34 372 297 A 6 ARG H A 6 ARG HD3 1.0 . 4.34 373 298 A 25 TRP H A 25 TRP HB3 1.0 . 3.27 374 299 A 11 TYR HD% A 12 ASP HB2 1.0 . 4.95 375 300 A 4 ILE HA A 7 PHE HB3 1.0 . 4.64 376 301 A 3 THR HA A 6 ARG HD2 1.0 . 4.77 377 301 A 3 THR HA A 6 ARG HD3 1.0 . 4.77 378 302 A 17 LYS HA A 17 LYS HE2 1.0 . 5.03 379 302 A 17 LYS HE3 A 17 LYS HA 1.0 . 5.03 380 303 A 18 LYS HA A 18 LYS HE2 1.0 . 5.50 381 303 A 18 LYS HA A 18 LYS HE3 1.0 . 5.50 382 304 A 19 LYS HA A 19 LYS HE2 1.0 . 4.57 383 304 A 19 LYS HA A 19 LYS HE3 1.0 . 4.57 384 305 A 12 ASP HA A 11 TYR HB3 1.0 . 4.48 385 306 A 7 PHE H A 7 PHE HB2 1.0 . 3.35 386 307 A 5 LEU HA A 8 VAL H 1.0 . 4.33 387 308 A 22 GLY H A 20 THR HA 1.0 . 5.50 388 309 A 27 ARG H A 25 TRP HA 1.0 . 5.50 389 310 A 9 ALA H A 6 ARG HA 1.0 . 3.88 390 311 A 14 ALA H A 15 SER HA 1.0 . 5.08 391 312 A 3 THR H A 3 THR HB 1.0 . 4.00 392 313 A 18 LYS H A 19 LYS HA 1.0 . 5.11 393 314 A 7 PHE HD% A 7 PHE H 1.0 . 4.14 394 315 A 6 ARG H A 7 PHE HD% 1.0 . 4.43 395 316 A 7 PHE HD% A 8 VAL H 1.0 . 4.90 396 317 A 16 HIS HD2 A 16 HIS H 1.0 . 4.23 397 318 A 15 SER H A 16 HIS HD2 1.0 . 5.50 398 319 A 17 LYS H A 16 HIS HD2 1.0 . 5.50 399 320 A 26 GLU H A 23 TYR HD% 1.0 . 4.44 400 321 A 26 GLU H A 25 TRP HE3 1.0 . 4.17 401 322 A 10 GLY H A 7 PHE H 1.0 . 5.32 402 323 A 11 TYR H A 10 GLY H 1.0 . 3.32 403 324 A 5 LEU H A 6 ARG H 1.0 . 3.11 404 325 A 6 ARG H A 7 PHE H 1.0 . 3.45 405 326 A 8 VAL H A 7 PHE H 1.0 . 3.51 406 327 A 11 TYR H A 14 ALA H 1.0 . 4.66 407 328 A 2 LYS H A 1 MET HG2 1.0 . 5.24 408 328 A 2 LYS H A 1 MET HG3 1.0 . 5.24 409 329 A 2 LYS H A 1 MET HB2 1.0 . 5.12 410 330 A 2 LYS H A 2 LYS HG3 1.0 . 4.84 411 331 A 2 LYS H A 2 LYS HG2 1.0 . 4.84 412 332 A 25 TRP HZ3 A 23 TYR HB2 1.0 . 4.93 413 333 A 11 TYR HA A 14 ALA HB% 1.0 . 3.52 414 334 A 18 LYS HA A 18 LYS HG2 1.0 . 4.04 415 334 A 18 LYS HG3 A 18 LYS HA 1.0 . 4.04 416 335 A 3 THR HG2% A 3 THR HA 1.0 . 3.24 417 336 A 2 LYS H A 1 MET HB3 1.0 . 4.27 418 336 A 2 LYS H A 1 MET HB2 1.0 . 4.27 419 337 A 1 MET HE% A 5 LEU HD1% 1.0 . 3.98 420 337 A 1 MET HE% A 5 LEU HD2% 1.0 . 3.98 421 338 A 2 LYS H A 2 LYS HB3 1.0 . 3.60 422 338 A 2 LYS H A 2 LYS HB2 1.0 . 3.60 423 339 A 2 LYS HA A 5 LEU HD1% 1.0 . 5.44 424 339 A 2 LYS HA A 5 LEU HD2% 1.0 . 5.44 425 340 A 2 LYS HB3 A 2 LYS HE2 1.0 . 4.55 426 340 A 2 LYS HB2 A 2 LYS HE2 1.0 . 4.55 427 340 A 2 LYS HE3 A 2 LYS HB3 1.0 . 4.55 428 340 A 2 LYS HB2 A 2 LYS HE3 1.0 . 4.55 429 341 A 3 THR H A 2 LYS HB3 1.0 . 3.97 430 341 A 3 THR H A 2 LYS HB2 1.0 . 3.97 431 342 A 4 ILE HG2% A 2 LYS HB3 1.0 . 4.65 432 342 A 4 ILE HG2% A 2 LYS HB2 1.0 . 4.65 433 343 A 2 LYS HB3 A 4 ILE HG13 1.0 . 1.56 434 343 A 2 LYS HB2 A 4 ILE HG13 1.0 . 1.56 435 343 A 4 ILE HG12 A 2 LYS HB3 1.0 . 1.56 436 343 A 2 LYS HB2 A 4 ILE HG12 1.0 . 1.56 437 344 A 5 LEU H A 2 LYS HB3 1.0 . 4.53 438 344 A 5 LEU H A 2 LYS HB2 1.0 . 4.53 439 345 A 2 LYS HB2 A 5 LEU HD1% 1.0 . 1.56 440 345 A 2 LYS HB3 A 5 LEU HD1% 1.0 . 1.56 441 345 A 5 LEU HD2% A 2 LYS HB3 1.0 . 1.56 442 345 A 5 LEU HD2% A 2 LYS HB2 1.0 . 1.56 443 346 A 5 LEU HD2% A 2 LYS HB2 1.0 . 3.52 444 347 A 2 LYS HB3 A 5 LEU HD1% 1.0 . 3.52 445 348 A 5 LEU HD2% A 2 LYS HB3 1.0 . 3.52 446 349 A 2 LYS HE2 A 2 LYS HG3 1.0 . 3.62 447 349 A 2 LYS HE3 A 2 LYS HG3 1.0 . 3.62 448 349 A 2 LYS HG2 A 2 LYS HE2 1.0 . 3.62 449 349 A 2 LYS HE3 A 2 LYS HG2 1.0 . 3.62 450 350 A 4 ILE HA A 4 ILE HG13 1.0 . 3.54 451 350 A 4 ILE HA A 4 ILE HG12 1.0 . 3.54 452 351 A 5 LEU H A 4 ILE HG13 1.0 . 4.91 453 351 A 5 LEU H A 4 ILE HG12 1.0 . 4.91 454 352 A 5 LEU H A 5 LEU HD1% 1.0 . 3.51 455 352 A 5 LEU H A 5 LEU HD2% 1.0 . 3.51 456 353 A 5 LEU HA A 5 LEU HD1% 1.0 . 3.03 457 353 A 5 LEU HA A 5 LEU HD2% 1.0 . 3.03 458 354 A 5 LEU HB3 A 5 LEU HD1% 1.0 . 3.01 459 354 A 5 LEU HB3 A 5 LEU HD2% 1.0 . 3.01 460 355 A 6 ARG H A 5 LEU HD1% 1.0 . 4.66 461 355 A 6 ARG H A 5 LEU HD2% 1.0 . 4.66 462 356 A 8 VAL HB A 5 LEU HD1% 1.0 . 4.71 463 356 A 8 VAL HB A 5 LEU HD2% 1.0 . 4.71 464 357 A 8 VAL HG1% A 5 LEU HD1% 1.0 . 3.38 465 357 A 8 VAL HG1% A 5 LEU HD2% 1.0 . 3.38 466 358 A 9 ALA H A 5 LEU HD1% 1.0 . 5.44 467 358 A 9 ALA H A 5 LEU HD2% 1.0 . 5.44 468 359 A 26 GLU HA A 26 GLU HB3 1.0 . 3.96 469 360 A 10 GLY HA3 A 13 ILE HG13 1.0 . 3.82 470 360 A 10 GLY HA2 A 13 ILE HG13 1.0 . 3.82 471 360 A 13 ILE HG12 A 10 GLY HA2 1.0 . 3.82 472 360 A 10 GLY HA3 A 13 ILE HG12 1.0 . 3.82 473 361 A 12 ASP H A 13 ILE HG13 1.0 . 4.67 474 361 A 12 ASP H A 13 ILE HG12 1.0 . 4.67 475 362 A 13 ILE H A 13 ILE HG13 1.0 . 3.23 476 362 A 13 ILE H A 13 ILE HG12 1.0 . 3.23 477 363 A 14 ALA H A 13 ILE HG13 1.0 . 4.74 478 363 A 14 ALA H A 13 ILE HG12 1.0 . 4.74 479 364 A 15 SER H A 15 SER HB2 1.0 . 3.47 480 364 A 15 SER H A 15 SER HB3 1.0 . 3.47 481 365 A 16 HIS H A 15 SER HB2 1.0 . 4.29 482 365 A 16 HIS H A 15 SER HB3 1.0 . 4.29 483 366 A 16 HIS H A 17 LYS HB3 1.0 . 4.17 484 366 A 16 HIS H A 17 LYS HB2 1.0 . 4.17 485 367 A 17 LYS H A 17 LYS HB3 1.0 . 3.21 486 367 A 17 LYS H A 17 LYS HB2 1.0 . 3.21 487 368 A 17 LYS HB3 A 17 LYS HD2 1.0 . 2.92 488 368 A 17 LYS HB2 A 17 LYS HD2 1.0 . 2.92 489 368 A 17 LYS HD3 A 17 LYS HB3 1.0 . 2.92 490 368 A 17 LYS HD3 A 17 LYS HB2 1.0 . 2.92 491 369 A 17 LYS HB3 A 17 LYS HE2 1.0 . 4.75 492 369 A 17 LYS HB2 A 17 LYS HE2 1.0 . 4.75 493 369 A 17 LYS HE3 A 17 LYS HB3 1.0 . 4.75 494 369 A 17 LYS HE3 A 17 LYS HB2 1.0 . 4.75 495 370 A 18 LYS H A 17 LYS HB3 1.0 . 3.55 496 370 A 18 LYS H A 17 LYS HB2 1.0 . 3.55 497 371 A 18 LYS HB2 A 18 LYS HD2 1.0 . 3.53 498 371 A 18 LYS HB3 A 18 LYS HD2 1.0 . 3.53 499 371 A 18 LYS HD3 A 18 LYS HB2 1.0 . 3.53 500 371 A 18 LYS HD3 A 18 LYS HB3 1.0 . 3.53 501 372 A 18 LYS HB3 A 18 LYS HE2 1.0 . 3.91 502 372 A 18 LYS HB2 A 18 LYS HE2 1.0 . 3.91 503 372 A 18 LYS HE3 A 18 LYS HB2 1.0 . 3.91 504 372 A 18 LYS HE3 A 18 LYS HB3 1.0 . 3.91 505 373 A 19 LYS H A 19 LYS HB3 1.0 . 3.12 506 373 A 19 LYS H A 19 LYS HB2 1.0 . 3.12 507 374 A 19 LYS HB2 A 19 LYS HE2 1.0 . 5.20 508 374 A 19 LYS HB3 A 19 LYS HE2 1.0 . 5.20 509 374 A 19 LYS HE3 A 19 LYS HB3 1.0 . 5.20 510 374 A 19 LYS HE3 A 19 LYS HB2 1.0 . 5.20 511 375 A 22 GLY H A 21 GLY HA2 1.0 . 2.91 512 375 A 22 GLY H A 21 GLY HA3 1.0 . 2.91 513 376 A 23 TYR H A 23 TYR HB3 1.0 . 3.17 514 376 A 23 TYR H A 23 TYR HB2 1.0 . 3.17 515 377 A 23 TYR HA A 24 PRO HD3 1.0 . 3.06 516 377 A 23 TYR HA A 24 PRO HD2 1.0 . 3.06 517 378 A 23 TYR HB3 A 24 PRO HD3 1.0 . 1.56 518 378 A 23 TYR HB2 A 24 PRO HD3 1.0 . 1.56 519 378 A 24 PRO HD2 A 23 TYR HB3 1.0 . 1.56 520 378 A 23 TYR HB2 A 24 PRO HD2 1.0 . 1.56 521 379 A 25 TRP H A 23 TYR HB3 1.0 . 3.84 522 379 A 25 TRP H A 23 TYR HB2 1.0 . 3.84 523 380 A 25 TRP HZ3 A 23 TYR HB3 1.0 . 4.33 524 380 A 25 TRP HZ3 A 23 TYR HB2 1.0 . 4.33 525 381 A 25 TRP HZ2 A 23 TYR HB3 1.0 . 4.82 526 381 A 25 TRP HZ2 A 23 TYR HB2 1.0 . 4.82 527 382 A 26 GLU H A 23 TYR HB3 1.0 . 3.74 528 382 A 26 GLU H A 23 TYR HB2 1.0 . 3.74 529 383 A 23 TYR HD% A 24 PRO HD3 1.0 . 3.57 530 383 A 23 TYR HD% A 24 PRO HD2 1.0 . 3.57 531 384 A 25 TRP H A 24 PRO HB3 1.0 . 3.99 532 384 A 25 TRP H A 24 PRO HB2 1.0 . 3.99 533 385 A 25 TRP H A 24 PRO HG2 1.0 . 4.28 534 385 A 25 TRP H A 24 PRO HG3 1.0 . 4.28 535 386 A 25 TRP HE3 A 24 PRO HG2 1.0 . 3.81 536 386 A 25 TRP HE3 A 24 PRO HG3 1.0 . 3.81 537 387 A 25 TRP HZ3 A 24 PRO HG2 1.0 . 4.91 538 387 A 25 TRP HZ3 A 24 PRO HG3 1.0 . 4.91 539 388 A 25 TRP H A 24 PRO HD3 1.0 . 4.14 540 388 A 25 TRP H A 24 PRO HD2 1.0 . 4.14 541 389 A 25 TRP HE3 A 24 PRO HD3 1.0 . 4.40 542 389 A 25 TRP HE3 A 24 PRO HD2 1.0 . 4.40 543 390 A 25 TRP HZ3 A 24 PRO HD3 1.0 . 4.12 544 390 A 25 TRP HZ3 A 24 PRO HD2 1.0 . 4.12 545 391 A 26 GLU H A 24 PRO HD3 1.0 . 4.78 546 391 A 26 GLU H A 24 PRO HD2 1.0 . 4.78 547 392 A 25 TRP HE3 A 26 GLU HG3 1.0 . 5.34 548 392 A 25 TRP HE3 A 26 GLU HG2 1.0 . 5.34 549 393 A 26 GLU H A 26 GLU HG3 1.0 . 3.95 550 393 A 26 GLU H A 26 GLU HG2 1.0 . 3.95 551 394 A 26 GLU HA A 26 GLU HG3 1.0 . 3.54 552 394 A 26 GLU HA A 26 GLU HG2 1.0 . 3.54 553 395 A 27 ARG HB3 A 27 ARG HD2 1.0 . 3.63 554 395 A 27 ARG HB2 A 27 ARG HD2 1.0 . 3.63 555 395 A 27 ARG HD3 A 27 ARG HB3 1.0 . 3.63 556 395 A 27 ARG HD3 A 27 ARG HB2 1.0 . 3.63 557 396 A 27 ARG HE A 27 ARG HB3 1.0 . 4.24 558 396 A 27 ARG HE A 27 ARG HB2 1.0 . 4.24 559 397 A 28 GLY H A 27 ARG HB3 1.0 . 4.13 560 397 A 28 GLY H A 27 ARG HB2 1.0 . 4.13 561 398 A 27 ARG HB3 A 28 GLY HA2 1.0 . 4.90 562 398 A 27 ARG HB2 A 28 GLY HA2 1.0 . 4.90 563 398 A 28 GLY HA3 A 27 ARG HB3 1.0 . 4.90 564 398 A 28 GLY HA3 A 27 ARG HB2 1.0 . 4.90 565 399 A 29 LYS H A 29 LYS HB3 1.0 . 3.49 566 399 A 29 LYS H A 29 LYS HB2 1.0 . 3.49 567 400 A 29 LYS HB2 A 29 LYS HD2 1.0 . 3.12 568 400 A 29 LYS HB3 A 29 LYS HD2 1.0 . 3.12 569 400 A 29 LYS HD3 A 29 LYS HB3 1.0 . 3.12 570 400 A 29 LYS HD3 A 29 LYS HB2 1.0 . 3.12 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 2 LYS C A 3 THR N A 3 THR CA A 3 THR C 1.0 -85.9 -43.1 PHI 2 2 A 3 THR N A 3 THR CA A 3 THR C A 4 ILE N 1.0 -63.5 -1.3 PSI 3 3 A 3 THR C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -76.4 -56.4 PHI 4 4 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 LEU N 1.0 -58.5 -22.5 PSI 5 5 A 4 ILE C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -73.0 -53.0 PHI 6 6 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 ARG N 1.0 -50.4 -18.1 PSI 7 7 A 5 LEU C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -75.0 -54.8 PHI 8 8 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 PHE N 1.0 -49.5 -29.5 PSI 9 9 A 6 ARG C A 7 PHE N A 7 PHE CA A 7 PHE C 1.0 -73.9 -50.4 PHI 10 10 A 7 PHE N A 7 PHE CA A 7 PHE C A 8 VAL N 1.0 -60.3 -20.5 PSI 11 11 A 7 PHE C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -78.7 -50.3 PHI 12 12 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 ALA N 1.0 -66.1 -24.5 PSI 13 13 A 8 VAL C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -84.4 -53.3 PHI 14 14 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 GLY N 1.0 -67.8 5.4 PSI 15 15 A 9 ALA C A 10 GLY N A 10 GLY CA A 10 GLY C 1.0 -89.3 -48.2 PHI 16 16 A 10 GLY N A 10 GLY CA A 10 GLY C A 11 TYR N 1.0 -59.8 -1.8 PSI 17 17 A 10 GLY C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -73.6 -53.6 PHI 18 18 A 11 TYR N A 11 TYR CA A 11 TYR C A 12 ASP N 1.0 -57.5 -26.8 PSI 19 19 A 11 TYR C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -77.8 -53.6 PHI 20 20 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 ILE N 1.0 -52.0 -27.1 PSI 21 21 A 12 ASP C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -86.4 -52.3 PHI 22 22 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 ALA N 1.0 -49.5 -20.0 PSI 23 23 A 13 ILE C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -75.7 -54.6 PHI 24 24 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 SER N 1.0 -66.9 -1.0 PSI 25 25 A 14 ALA C A 15 SER N A 15 SER CA A 15 SER C 1.0 -73.2 -51.9 PHI 26 26 A 15 SER N A 15 SER CA A 15 SER C A 16 HIS N 1.0 -55.9 -29.0 PSI 27 27 A 15 SER C A 16 HIS N A 16 HIS CA A 16 HIS C 1.0 -121.5 -39.7 PHI 28 28 A 16 HIS N A 16 HIS CA A 16 HIS C A 17 LYS N 1.0 -71.5 25.4 PSI 29 29 A 22 GLY C A 23 TYR N A 23 TYR CA A 23 TYR C 1.0 -179.9 -46.5 PHI 30 30 A 23 TYR N A 23 TYR CA A 23 TYR C A 24 PRO N 1.0 52.4 154.2 PSI 31 31 A 24 PRO C A 25 TRP N A 25 TRP CA A 25 TRP C 1.0 -114.9 -57.4 PHI 32 32 A 25 TRP N A 25 TRP CA A 25 TRP C A 26 GLU N 1.0 -37.7 22.3 PSI stop_ save_