data_nef_c16239_2khf 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 16148 BMRB 16149 BMRB 16241 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 ALA middle . . 3 A 3 TRP middle . . 4 A 4 LYS middle . . 5 A 5 ASN middle . . 6 A 6 PHE middle . . 7 A 7 TRP middle . . 8 A 8 SER middle . . 9 A 9 SER middle . . 10 A 10 LEU middle . . 11 A 11 ARG middle . . 12 A 12 LYS middle . . 13 A 13 GLY middle . false 14 A 14 PHE middle . . 15 A 15 TYR middle . . 16 A 16 ASP middle . . 17 A 17 GLY middle . false 18 A 18 GLU middle . . 19 A 19 ALA middle . . 20 A 20 GLY middle . false 21 A 21 ARG middle . . 22 A 22 ALA middle . . 23 A 23 ILE middle . . 24 A 24 ARG middle . . 25 A 25 ARG end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY HAx H 1 3.883 0.02 A 1 GLY HAy H 1 3.883 0.02 A 1 GLY CA C 13 43.503 0.2 A 2 ALA H H 1 8.989 0.02 A 2 ALA HA H 1 4.281 0.02 A 2 ALA HB1 H 1 1.407 0.02 A 2 ALA HB2 H 1 1.407 0.02 A 2 ALA HB3 H 1 1.407 0.02 A 2 ALA CA C 13 52.821 0.2 A 2 ALA CB C 13 19.251 0.2 A 2 ALA N N 15 124.571 0.2 A 3 TRP H H 1 8.728 0.02 A 3 TRP HA H 1 4.564 0.02 A 3 TRP HBx H 1 3.382 0.02 A 3 TRP HBy H 1 3.382 0.02 A 3 TRP HD1 H 1 7.331 0.02 A 3 TRP HE1 H 1 10.615 0.02 A 3 TRP HE3 H 1 7.469 0.02 A 3 TRP HH2 H 1 7.004 0.02 A 3 TRP HZ2 H 1 7.356 0.02 A 3 TRP HZ3 H 1 6.801 0.02 A 3 TRP CB C 13 28.826 0.2 A 3 TRP CD1 C 13 127.357 0.2 A 3 TRP CE2 C 13 139.189 0.2 A 3 TRP CE3 C 13 120.473 0.2 A 3 TRP CH2 C 13 123.656 0.2 A 3 TRP CZ2 C 13 114.736 0.2 A 3 TRP CZ3 C 13 121.239 0.2 A 3 TRP N N 15 119.557 0.2 A 4 LYS H H 1 8.281 0.02 A 4 LYS HA H 1 4.286 0.02 A 4 LYS HBx H 1 1.917 0.02 A 4 LYS HBy H 1 1.917 0.02 A 4 LYS HDx H 1 1.76 0.02 A 4 LYS HDy H 1 1.76 0.02 A 4 LYS HEx H 1 3.017 0.02 A 4 LYS HEy H 1 3.017 0.02 A 4 LYS HG2 H 1 1.443 0.02 A 4 LYS HG3 H 1 1.539 0.02 A 4 LYS HZ1 H 1 7.659 0.02 A 4 LYS HZ2 H 1 7.659 0.02 A 4 LYS HZ3 H 1 7.659 0.02 A 4 LYS CB C 13 32.295 0.2 A 4 LYS CD C 13 29.36 0.2 A 4 LYS CG C 13 25.179 0.2 A 4 LYS N N 15 122.295 0.2 A 5 ASN H H 1 8.283 0.02 A 5 ASN HA H 1 4.279 0.02 A 5 ASN HBx H 1 2.901 0.02 A 5 ASN HBy H 1 2.901 0.02 A 5 ASN HD21 H 1 7.798 0.02 A 5 ASN HD22 H 1 6.932 0.02 A 5 ASN CB C 13 37.837 0.2 A 5 ASN N N 15 117.82 0.2 A 5 ASN ND2 N 15 112.571 0.2 A 6 PHE H H 1 8.286 0.02 A 6 PHE HA H 1 4.291 0.02 A 6 PHE HB2 H 1 3.159 0.02 A 6 PHE HB3 H 1 3.232 0.02 A 6 PHE HDx H 1 6.897 0.02 A 6 PHE HDy H 1 6.897 0.02 A 6 PHE HEx H 1 6.937 0.02 A 6 PHE HEy H 1 6.937 0.02 A 6 PHE HZ H 1 6.998 0.02 A 6 PHE CB C 13 39.221 0.2 A 6 PHE CD1 C 13 131.717 0.2 A 6 PHE CE1 C 13 130.816 0.2 A 6 PHE CG C 13 138.253 0.2 A 6 PHE CZ C 13 129.148 0.2 A 7 TRP H H 1 8.297 0.02 A 7 TRP HA H 1 4.102 0.02 A 7 TRP HB2 H 1 3.204 0.02 A 7 TRP HB3 H 1 3.346 0.02 A 7 TRP HD1 H 1 7.11 0.02 A 7 TRP HE1 H 1 9.878 0.02 A 7 TRP HE3 H 1 7.449 0.02 A 7 TRP HH2 H 1 7.005 0.02 A 7 TRP HZ2 H 1 7.364 0.02 A 7 TRP HZ3 H 1 6.898 0.02 A 7 TRP CB C 13 29.767 0.2 A 7 TRP CD1 C 13 127.772 0.2 A 7 TRP CE3 C 13 121.016 0.2 A 7 TRP CH2 C 13 123.653 0.2 A 7 TRP CZ2 C 13 114.365 0.2 A 7 TRP CZ3 C 13 121.1 0.2 A 7 TRP N N 15 119.79 0.2 A 8 SER H H 1 8.301 0.02 A 8 SER HA H 1 4.292 0.02 A 8 SER HB2 H 1 3.97 0.02 A 8 SER HB3 H 1 4.026 0.02 A 8 SER CA C 13 61.099 0.2 A 8 SER CB C 13 62.792 0.2 A 8 SER N N 15 112.802 0.2 A 9 SER H H 1 7.86 0.02 A 9 SER HA H 1 4.17 0.02 A 9 SER HB2 H 1 3.767 0.02 A 9 SER HB3 H 1 3.964 0.02 A 9 SER CA C 13 62.101 0.2 A 9 SER CB C 13 62.878 0.2 A 9 SER N N 15 117.763 0.2 A 10 LEU H H 1 7.955 0.02 A 10 LEU HA H 1 3.883 0.02 A 10 LEU HBx H 1 1.404 0.02 A 10 LEU HBy H 1 1.404 0.02 A 10 LEU HDx% H 1 0.696 0.02 A 10 LEU HDy% H 1 0.716 0.02 A 10 LEU HG H 1 1.414 0.02 A 10 LEU CA C 13 57.879 0.2 A 10 LEU CB C 13 41.678 0.2 A 10 LEU CD1 C 13 25.06 0.2 A 10 LEU CD2 C 13 24.5 0.2 A 10 LEU CG C 13 26.747 0.2 A 10 LEU N N 15 123.815 0.2 A 11 ARG H H 1 8.002 0.02 A 11 ARG HA H 1 3.703 0.02 A 11 ARG HBx H 1 1.671 0.02 A 11 ARG HBy H 1 1.671 0.02 A 11 ARG HDx H 1 3.065 0.02 A 11 ARG HDy H 1 3.065 0.02 A 11 ARG HE H 1 7.455 0.02 A 11 ARG HGx H 1 1.437 0.02 A 11 ARG HGy H 1 1.437 0.02 A 11 ARG CA C 13 59.438 0.2 A 11 ARG CB C 13 30.468 0.2 A 11 ARG CD C 13 43.483 0.2 A 11 ARG CG C 13 27.592 0.2 A 11 ARG N N 15 117.843 0.2 A 12 LYS H H 1 7.721 0.02 A 12 LYS HA H 1 4.083 0.02 A 12 LYS HBx H 1 1.843 0.02 A 12 LYS HBy H 1 1.843 0.02 A 12 LYS HDx H 1 1.666 0.02 A 12 LYS HDy H 1 1.666 0.02 A 12 LYS HEx H 1 2.94 0.02 A 12 LYS HEy H 1 2.94 0.02 A 12 LYS HG2 H 1 1.425 0.02 A 12 LYS HG3 H 1 1.531 0.02 A 12 LYS HZ1 H 1 7.502 0.02 A 12 LYS HZ2 H 1 7.502 0.02 A 12 LYS HZ3 H 1 7.502 0.02 A 12 LYS CA C 13 58.953 0.2 A 12 LYS CB C 13 32.476 0.2 A 12 LYS CD C 13 29.324 0.2 A 12 LYS CG C 13 25.159 0.2 A 12 LYS N N 15 117.972 0.2 A 13 GLY H H 1 8.124 0.02 A 13 GLY HAx H 1 3.639 0.02 A 13 GLY HAy H 1 3.639 0.02 A 13 GLY CA C 13 46.415 0.2 A 13 GLY N N 15 106.124 0.2 A 14 PHE H H 1 8.162 0.02 A 14 PHE HA H 1 4.263 0.02 A 14 PHE HB2 H 1 3.007 0.02 A 14 PHE HB3 H 1 2.96 0.02 A 14 PHE HDx H 1 6.824 0.02 A 14 PHE HDy H 1 6.824 0.02 A 14 PHE HEx H 1 7.107 0.02 A 14 PHE HEy H 1 7.107 0.02 A 14 PHE HZ H 1 7.116 0.02 A 14 PHE CA C 13 60.406 0.2 A 14 PHE CB C 13 39.421 0.2 A 14 PHE CD1 C 13 131.594 0.2 A 14 PHE CE1 C 13 130.963 0.2 A 14 PHE CZ C 13 129.374 0.2 A 14 PHE N N 15 120.405 0.2 A 15 TYR H H 1 8.064 0.02 A 15 TYR HA H 1 4.257 0.02 A 15 TYR HB2 H 1 3.145 0.02 A 15 TYR HB3 H 1 2.949 0.02 A 15 TYR HDx H 1 7.169 0.02 A 15 TYR HDy H 1 7.169 0.02 A 15 TYR HEx H 1 6.854 0.02 A 15 TYR HEy H 1 6.854 0.02 A 15 TYR CB C 13 38.11 0.2 A 15 TYR CD1 C 13 132.932 0.2 A 15 TYR CE1 C 13 118.211 0.2 A 15 TYR CG C 13 130.862 0.2 A 15 TYR CZ C 13 158.356 0.2 A 15 TYR N N 15 117.269 0.2 A 16 ASP H H 1 8.308 0.02 A 16 ASP HA H 1 4.622 0.02 A 16 ASP HB2 H 1 2.928 0.02 A 16 ASP HB3 H 1 3.049 0.02 A 16 ASP CB C 13 42.115 0.2 A 16 ASP N N 15 119.842 0.2 A 17 GLY H H 1 7.907 0.02 A 17 GLY HAx H 1 3.96 0.02 A 17 GLY HAy H 1 3.96 0.02 A 17 GLY CA C 13 46.04 0.2 A 17 GLY N N 15 107.867 0.2 A 18 GLU H H 1 8.221 0.02 A 18 GLU HA H 1 4.096 0.02 A 18 GLU HBx H 1 2.014 0.02 A 18 GLU HBy H 1 2.014 0.02 A 18 GLU HGx H 1 2.351 0.02 A 18 GLU HGy H 1 2.351 0.02 A 18 GLU CA C 13 57.759 0.2 A 18 GLU CB C 13 28.496 0.2 A 18 GLU CG C 13 32.921 0.2 A 18 GLU N N 15 119.944 0.2 A 19 ALA H H 1 8.23 0.02 A 19 ALA HA H 1 4.063 0.02 A 19 ALA HB1 H 1 1.319 0.02 A 19 ALA HB2 H 1 1.319 0.02 A 19 ALA HB3 H 1 1.319 0.02 A 19 ALA CA C 13 54.338 0.2 A 19 ALA CB C 13 18.409 0.2 A 19 ALA N N 15 121.362 0.2 A 20 GLY H H 1 8.124 0.02 A 20 GLY HA2 H 1 3.77 0.02 A 20 GLY HA3 H 1 3.886 0.02 A 20 GLY CA C 13 46.232 0.2 A 20 GLY N N 15 104.759 0.2 A 21 ARG H H 1 7.716 0.02 A 21 ARG HA H 1 4.175 0.02 A 21 ARG HBx H 1 1.835 0.02 A 21 ARG HBy H 1 1.835 0.02 A 21 ARG HDx H 1 3.161 0.02 A 21 ARG HDy H 1 3.161 0.02 A 21 ARG HE H 1 7.323 0.02 A 21 ARG HG2 H 1 1.6 0.02 A 21 ARG HG3 H 1 1.695 0.02 A 21 ARG CA C 13 57.374 0.2 A 21 ARG CB C 13 30.682 0.2 A 21 ARG CD C 13 43.518 0.2 A 21 ARG CG C 13 27.377 0.2 A 21 ARG N N 15 119.056 0.2 A 22 ALA H H 1 7.987 0.02 A 22 ALA HA H 1 4.22 0.02 A 22 ALA HB1 H 1 1.407 0.02 A 22 ALA HB2 H 1 1.407 0.02 A 22 ALA HB3 H 1 1.407 0.02 A 22 ALA CA C 13 53.388 0.2 A 22 ALA CB C 13 19.076 0.2 A 22 ALA N N 15 121.794 0.2 A 23 ILE H H 1 7.655 0.02 A 23 ILE HA H 1 4.105 0.02 A 23 ILE HB H 1 1.925 0.02 A 23 ILE HD11 H 1 0.856 0.02 A 23 ILE HD12 H 1 0.856 0.02 A 23 ILE HD13 H 1 0.856 0.02 A 23 ILE HG12 H 1 1.248 0.02 A 23 ILE HG13 H 1 1.542 0.02 A 23 ILE HG21 H 1 0.908 0.02 A 23 ILE HG22 H 1 0.908 0.02 A 23 ILE HG23 H 1 0.908 0.02 A 23 ILE CA C 13 61.413 0.2 A 23 ILE CB C 13 38.576 0.2 A 23 ILE CD1 C 13 13.458 0.2 A 23 ILE CG1 C 13 27.497 0.2 A 23 ILE CG2 C 13 17.834 0.2 A 23 ILE N N 15 115.088 0.2 A 24 ARG H H 1 7.829 0.02 A 24 ARG HA H 1 4.344 0.02 A 24 ARG HB2 H 1 1.774 0.02 A 24 ARG HB3 H 1 1.884 0.02 A 24 ARG HDx H 1 3.171 0.02 A 24 ARG HDy H 1 3.171 0.02 A 24 ARG HE H 1 7.329 0.02 A 24 ARG HG2 H 1 1.663 0.02 A 24 ARG HG3 H 1 1.602 0.02 A 24 ARG CA C 13 55.897 0.2 A 24 ARG CB C 13 30.663 0.2 A 24 ARG CD C 13 43.467 0.2 A 24 ARG CG C 13 27.274 0.2 A 24 ARG N N 15 121.629 0.2 A 25 ARG H H 1 8.142 0.02 A 25 ARG HA H 1 4.276 0.02 A 25 ARG HB2 H 1 1.796 0.02 A 25 ARG HB3 H 1 1.912 0.02 A 25 ARG HDx H 1 3.186 0.02 A 25 ARG HDy H 1 3.186 0.02 A 25 ARG HE H 1 7.427 0.02 A 25 ARG HGx H 1 1.663 0.02 A 25 ARG HGy H 1 1.663 0.02 A 25 ARG CA C 13 55.519 0.2 A 25 ARG CB C 13 30.672 0.2 A 25 ARG CD C 13 43.45 0.2 A 25 ARG CG C 13 27.317 0.2 A 25 ARG N N 15 64.792 0.2 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 2 ALA HB1 A 3 TRP H 1.0 . 3.94 2 2 A 17 GLY H A 16 ASP HB2 1.0 . 4.31 3 3 A 17 GLY H A 16 ASP HB3 1.0 . 4.31 4 4 A 19 ALA HB1 A 20 GLY H 1.0 . 3.74 5 5 A 19 ALA H A 18 GLU HGx 1.0 . 4.57 6 5 A 18 GLU HGy A 19 ALA H 1.0 . 4.57 7 6 A 13 GLY H A 12 LYS HBx 1.0 . 3.84 8 6 A 12 LYS HBy A 13 GLY H 1.0 . 3.84 9 7 A 13 GLY H A 12 LYS HG3 1.0 . 5.28 10 8 A 13 GLY H A 12 LYS HG2 1.0 . 5.28 11 9 A 13 GLY H A 14 PHE HB3 1.0 . 4.64 12 9 A 13 GLY H A 14 PHE HB2 1.0 . 4.64 13 10 A 8 SER H A 7 TRP HB2 1.0 . 4.09 14 11 A 8 SER H A 7 TRP HB3 1.0 . 4.09 15 12 A 8 SER H A 5 ASN HA 1.0 . 4.53 16 13 A 8 SER H A 10 LEU HBx 1.0 . 5.50 17 13 A 8 SER H A 10 LEU HBy 1.0 . 5.50 18 14 A 8 SER H A 7 TRP HE3 1.0 . 4.98 19 15 A 8 SER H A 7 TRP HD1 1.0 . 5.41 20 16 A 8 SER H A 6 PHE HD% 1.0 . 5.50 21 17 A 8 SER H A 10 LEU H 1.0 . 4.72 22 18 A 23 ILE H A 23 ILE HD11 1.0 . 3.62 23 19 A 23 ILE H A 23 ILE HG21 1.0 . 3.86 24 20 A 23 ILE H A 22 ALA HB1 1.0 . 3.73 25 21 A 23 ILE H A 23 ILE HG13 1.0 . 3.94 26 21 A 23 ILE H A 23 ILE HG12 1.0 . 3.94 27 22 A 23 ILE H A 23 ILE HB 1.0 . 3.62 28 23 A 10 LEU H A 10 LEU HBx 1.0 . 3.36 29 23 A 10 LEU HBy A 10 LEU H 1.0 . 3.36 30 24 A 6 PHE H A 5 ASN HBx 1.0 . 3.77 31 24 A 5 ASN HBy A 6 PHE H 1.0 . 3.77 32 25 A 6 PHE H A 6 PHE HB2 1.0 . 3.88 33 26 A 6 PHE H A 6 PHE HB3 1.0 . 3.88 34 27 A 6 PHE H A 3 TRP HBx 1.0 . 5.17 35 27 A 6 PHE H A 3 TRP HBy 1.0 . 5.17 36 28 A 6 PHE H A 3 TRP HA 1.0 . 4.32 37 29 A 6 PHE HD% A 6 PHE H 1.0 . 4.50 38 30 A 3 TRP HA A 4 LYS H 1.0 . 3.51 39 31 A 4 LYS H A 3 TRP HBx 1.0 . 3.88 40 31 A 3 TRP HBy A 4 LYS H 1.0 . 3.88 41 32 A 4 LYS H A 4 LYS HDx 1.0 . 3.95 42 32 A 4 LYS H A 4 LYS HDy 1.0 . 3.95 43 33 A 4 LYS H A 4 LYS HG2 1.0 . 3.96 44 34 A 4 LYS H A 4 LYS HG3 1.0 . 3.96 45 35 A 7 TRP HE3 A 7 TRP H 1.0 . 5.04 46 36 A 7 TRP HD1 A 7 TRP H 1.0 . 3.78 47 37 A 9 SER H A 8 SER HB2 1.0 . 4.39 48 37 A 8 SER HB3 A 9 SER H 1.0 . 4.39 49 38 A 9 SER H A 6 PHE HA 1.0 . 3.86 50 39 A 9 SER H A 12 LYS HDx 1.0 . 5.50 51 39 A 9 SER H A 12 LYS HDy 1.0 . 5.50 52 40 A 9 SER H A 10 LEU HBx 1.0 . 4.85 53 40 A 10 LEU HBy A 9 SER H 1.0 . 4.85 54 41 A 9 SER H A 10 LEU HDy% 1.0 . 5.50 55 41 A 9 SER H A 10 LEU HDx% 1.0 . 5.50 56 42 A 8 SER H A 9 SER H 1.0 . 3.97 57 43 A 7 TRP HE3 A 11 ARG H 1.0 . 5.24 58 44 A 13 GLY H A 12 LYS H 1.0 . 3.32 59 45 A 11 ARG H A 12 LYS H 1.0 . 3.04 60 46 A 10 LEU H A 9 SER H 1.0 . 3.18 61 47 A 9 SER H A 12 LYS H 1.0 . 5.50 62 48 A 11 ARG H A 10 LEU HDy% 1.0 . 3.84 63 48 A 10 LEU HDx% A 11 ARG H 1.0 . 3.84 64 49 A 16 ASP H A 16 ASP HB2 1.0 . 3.70 65 50 A 16 ASP H A 16 ASP HB3 1.0 . 3.70 66 51 A 5 ASN H A 5 ASN HBx 1.0 . 3.03 67 51 A 5 ASN HBy A 5 ASN H 1.0 . 3.03 68 52 A 15 TYR H A 15 TYR HA 1.0 . 2.88 69 53 A 15 TYR H A 14 PHE HB3 1.0 . 2.89 70 53 A 14 PHE HB2 A 15 TYR H 1.0 . 2.89 71 54 A 15 TYR H A 15 TYR HD% 1.0 . 3.85 72 55 A 15 TYR H A 14 PHE HD% 1.0 . 4.58 73 56 A 15 TYR H A 12 LYS HA 1.0 . 4.15 74 57 A 15 TYR H A 11 ARG HA 1.0 . 4.09 75 58 A 15 TYR H A 14 PHE H 1.0 . 3.53 76 59 A 16 ASP H A 15 TYR H 1.0 . 3.28 77 60 A 17 GLY H A 16 ASP H 1.0 . 3.43 78 61 A 18 GLU H A 18 GLU HBx 1.0 . 2.87 79 61 A 18 GLU H A 18 GLU HBy 1.0 . 2.87 80 62 A 18 GLU H A 18 GLU HGx 1.0 . 2.90 81 62 A 18 GLU HGy A 18 GLU H 1.0 . 2.90 82 63 A 19 ALA HB1 A 18 GLU H 1.0 . 4.35 83 64 A 18 GLU H A 17 GLY HAx 1.0 . 3.08 84 64 A 18 GLU H A 17 GLY HAy 1.0 . 3.08 85 65 A 18 GLU H A 14 PHE HA 1.0 . 3.54 86 66 A 17 GLY H A 18 GLU H 1.0 . 3.29 87 67 A 24 ARG H A 24 ARG HDx 1.0 . 3.96 88 67 A 24 ARG H A 24 ARG HDy 1.0 . 3.96 89 68 A 24 ARG H A 23 ILE HA 1.0 . 3.43 90 69 A 24 ARG H A 22 ALA HA 1.0 . 3.81 91 70 A 25 ARG H A 25 ARG HA 1.0 . 2.86 92 71 A 25 ARG H A 25 ARG HDx 1.0 . 5.02 93 71 A 25 ARG H A 25 ARG HDy 1.0 . 5.02 94 72 A 25 ARG H A 25 ARG HB3 1.0 . 3.60 95 73 A 25 ARG H A 25 ARG HB2 1.0 . 3.60 96 74 A 25 ARG H A 25 ARG HGx 1.0 . 3.08 97 74 A 25 ARG H A 25 ARG HGy 1.0 . 3.08 98 75 A 24 ARG H A 25 ARG HGx 1.0 . 4.93 99 75 A 24 ARG H A 25 ARG HGy 1.0 . 4.93 100 76 A 24 ARG H A 24 ARG HB2 1.0 . 4.02 101 77 A 24 ARG H A 24 ARG HB3 1.0 . 4.02 102 78 A 22 ALA HB1 A 24 ARG H 1.0 . 4.74 103 79 A 23 ILE HG21 A 24 ARG H 1.0 . 5.15 104 80 A 23 ILE HD11 A 24 ARG H 1.0 . 5.50 105 81 A 23 ILE HD11 A 25 ARG H 1.0 . 5.10 106 82 A 23 ILE H A 22 ALA H 1.0 . 2.85 107 83 A 18 GLU H A 22 ALA H 1.0 . 5.50 108 84 A 22 ALA H A 18 GLU HA 1.0 . 3.49 109 85 A 22 ALA HA A 22 ALA H 1.0 . 2.87 110 86 A 22 ALA H A 21 ARG HBy 1.0 . 4.16 111 87 A 22 ALA HB1 A 22 ALA H 1.0 . 2.51 112 88 A 22 ALA H A 21 ARG H 1.0 . 2.88 113 89 A 20 GLY H A 21 ARG H 1.0 . 2.96 114 90 A 18 GLU HA A 21 ARG H 1.0 . 3.64 115 91 A 19 ALA HB1 A 21 ARG H 1.0 . 5.50 116 92 A 22 ALA HB1 A 21 ARG H 1.0 . 4.64 117 93 A 3 TRP H A 3 TRP HBx 1.0 . 2.78 118 93 A 3 TRP H A 3 TRP HBy 1.0 . 2.78 119 94 A 6 PHE HD% A 7 TRP H 1.0 . 3.98 120 95 A 4 LYS H A 3 TRP HD1 1.0 . 5.02 121 96 A 3 TRP H A 4 LYS H 1.0 . 3.38 122 97 A 24 ARG HA A 24 ARG HE 1.0 . 5.12 123 98 A 9 SER H A 8 SER HA 1.0 . 3.54 124 99 A 13 GLY H A 14 PHE H 1.0 . 4.61 125 100 A 12 LYS H A 12 LYS HBx 1.0 . 2.88 126 100 A 12 LYS HBy A 12 LYS H 1.0 . 2.88 127 101 A 11 ARG H A 8 SER HA 1.0 . 3.50 128 102 A 10 LEU H A 10 LEU HDy% 1.0 . 3.48 129 102 A 10 LEU H A 10 LEU HDx% 1.0 . 3.48 130 103 A 10 LEU H A 9 SER HB3 1.0 . 4.08 131 104 A 10 LEU H A 9 SER HB2 1.0 . 4.08 132 105 A 10 LEU H A 8 SER HA 1.0 . 4.21 133 106 A 10 LEU H A 7 TRP HA 1.0 . 3.97 134 107 A 14 PHE HD% A 14 PHE H 1.0 . 3.26 135 108 A 5 ASN H A 5 ASN HD22 1.0 . 3.79 136 109 A 5 ASN H A 5 ASN HD21 1.0 . 4.74 137 110 A 24 ARG H A 25 ARG H 1.0 . 3.10 138 111 A 19 ALA H A 18 GLU HBx 1.0 . 3.28 139 111 A 19 ALA H A 18 GLU HBy 1.0 . 3.28 140 112 A 19 ALA HB1 A 19 ALA H 1.0 . 2.75 141 113 A 19 ALA H A 14 PHE HA 1.0 . 3.96 142 114 A 6 PHE H A 5 ASN HD22 1.0 . 5.50 143 115 A 6 PHE H A 3 TRP HE3 1.0 . 5.50 144 116 A 3 TRP H A 6 PHE H 1.0 . 5.50 145 117 A 6 PHE H A 5 ASN HD21 1.0 . 4.11 146 118 A 7 TRP HD1 A 6 PHE H 1.0 . 5.50 147 119 A 14 PHE H A 14 PHE HB3 1.0 . 2.93 148 119 A 14 PHE HB2 A 14 PHE H 1.0 . 2.93 149 120 A 3 TRP H A 3 TRP HD1 1.0 . 3.07 150 121 A 3 TRP H A 1 GLY HAx 1.0 . 3.80 151 121 A 3 TRP H A 1 GLY HAy 1.0 . 3.80 152 122 A 11 ARG HA A 14 PHE H 1.0 . 4.75 153 123 A 12 LYS HA A 14 PHE H 1.0 . 4.61 154 124 A 12 LYS H A 14 PHE H 1.0 . 4.49 155 125 A 16 ASP H A 14 PHE H 1.0 . 5.50 156 126 A 4 LYS H A 4 LYS HBx 1.0 . 2.94 157 126 A 4 LYS H A 4 LYS HBy 1.0 . 2.94 158 127 A 5 ASN HD22 A 2 ALA HA 1.0 . 3.16 159 128 A 5 ASN HD21 A 2 ALA HA 1.0 . 3.76 160 129 A 5 ASN HD22 A 5 ASN HBx 1.0 . 3.47 161 129 A 5 ASN HBy A 5 ASN HD22 1.0 . 3.47 162 130 A 15 TYR H A 18 GLU H 1.0 . 5.50 163 131 A 16 ASP H A 18 GLU H 1.0 . 3.92 164 132 A 3 TRP H A 2 ALA H 1.0 . 3.46 165 133 A 2 ALA HA A 2 ALA H 1.0 . 2.91 166 134 A 2 ALA H A 1 GLY HAx 1.0 . 2.41 167 134 A 1 GLY HAy A 2 ALA H 1.0 . 2.41 168 135 A 2 ALA HB1 A 2 ALA H 1.0 . 3.02 169 136 A 6 PHE HD% A 10 LEU H 1.0 . 5.46 170 137 A 7 TRP HE3 A 10 LEU H 1.0 . 5.50 171 138 A 10 LEU H A 12 LYS H 1.0 . 5.50 172 139 A 2 ALA HB1 A 6 PHE H 1.0 . 5.48 173 140 A 22 ALA H A 20 GLY HA3 1.0 . 4.93 174 141 A 22 ALA H A 20 GLY HA2 1.0 . 4.93 175 142 A 23 ILE HD11 A 22 ALA H 1.0 . 4.90 176 143 A 22 ALA H A 21 ARG HBx 1.0 . 4.16 177 144 A 22 ALA H A 21 ARG HG2 1.0 . 4.68 178 144 A 22 ALA H A 21 ARG HG3 1.0 . 4.68 179 145 A 19 ALA H A 21 ARG H 1.0 . 4.76 180 146 A 17 GLY H A 19 ALA H 1.0 . 4.51 181 147 A 19 ALA H A 22 ALA H 1.0 . 5.01 182 148 A 23 ILE H A 24 ARG H 1.0 . 2.98 183 149 A 21 ARG H A 21 ARG HG2 1.0 . 4.06 184 149 A 21 ARG H A 21 ARG HG3 1.0 . 4.06 185 150 A 21 ARG H A 21 ARG HBx 1.0 . 3.18 186 151 A 21 ARG H A 21 ARG HBy 1.0 . 3.18 187 152 A 18 GLU H A 21 ARG H 1.0 . 5.50 188 153 A 11 ARG H A 10 LEU HBx 1.0 . 2.83 189 153 A 10 LEU HBy A 11 ARG H 1.0 . 2.83 190 154 A 12 LYS H A 12 LYS HDx 1.0 . 4.82 191 154 A 12 LYS HDy A 12 LYS H 1.0 . 4.82 192 155 A 12 LYS H A 12 LYS HG3 1.0 . 3.28 193 156 A 12 LYS H A 12 LYS HG2 1.0 . 3.28 194 157 A 2 ALA HB1 A 5 ASN H 1.0 . 4.58 195 158 A 5 ASN H A 4 LYS HDx 1.0 . 5.13 196 158 A 4 LYS HDy A 5 ASN H 1.0 . 5.13 197 159 A 17 GLY H A 15 TYR H 1.0 . 4.52 198 160 A 15 TYR H A 16 ASP HA 1.0 . 5.50 199 161 A 23 ILE H A 24 ARG HA 1.0 . 4.88 200 162 A 20 GLY H A 23 ILE H 1.0 . 5.50 201 163 A 23 ILE H A 25 ARG H 1.0 . 5.50 202 164 A 8 SER H A 12 LYS HEx 1.0 . 5.50 203 164 A 8 SER H A 12 LYS HEy 1.0 . 5.50 204 165 A 17 GLY H A 14 PHE HA 1.0 . 4.78 205 166 A 17 GLY H A 15 TYR HA 1.0 . 5.13 206 167 A 17 GLY H A 18 GLU HBx 1.0 . 4.02 207 167 A 17 GLY H A 18 GLU HBy 1.0 . 4.02 208 168 A 17 GLY H A 19 ALA HB1 1.0 . 5.50 209 169 A 17 GLY H A 20 GLY H 1.0 . 5.16 210 170 A 17 GLY H A 15 TYR HD% 1.0 . 5.50 211 171 A 24 ARG HE A 24 ARG HDx 1.0 . 2.90 212 171 A 24 ARG HDy A 24 ARG HE 1.0 . 2.90 213 172 A 21 ARG HA A 21 ARG HE 1.0 . 4.74 214 173 A 25 ARG HA A 25 ARG HE 1.0 . 4.86 215 174 A 20 GLY H A 21 ARG HG2 1.0 . 5.50 216 174 A 20 GLY H A 21 ARG HG3 1.0 . 5.50 217 175 A 20 GLY H A 18 GLU HBx 1.0 . 5.05 218 175 A 20 GLY H A 18 GLU HBy 1.0 . 5.05 219 176 A 20 GLY H A 18 GLU HA 1.0 . 3.90 220 177 A 20 GLY H A 19 ALA H 1.0 . 2.81 221 178 A 20 GLY H A 22 ALA H 1.0 . 3.60 222 179 A 20 GLY H A 21 ARG HA 1.0 . 4.72 223 180 A 3 TRP H A 3 TRP HE1 1.0 . 5.50 224 181 A 4 LYS H A 3 TRP HE1 1.0 . 4.97 225 182 A 3 TRP HE1 A 3 TRP HBx 1.0 . 4.90 226 182 A 3 TRP HBy A 3 TRP HE1 1.0 . 4.90 227 183 A 16 ASP H A 15 TYR HD% 1.0 . 5.01 228 184 A 3 TRP H A 3 TRP HE3 1.0 . 5.50 229 185 A 3 TRP H A 4 LYS HBx 1.0 . 5.26 230 185 A 3 TRP H A 4 LYS HBy 1.0 . 5.26 231 186 A 7 TRP HE1 A 3 TRP HBx 1.0 . 4.88 232 186 A 3 TRP HBy A 7 TRP HE1 1.0 . 4.88 233 187 A 5 ASN HA A 5 ASN HD22 1.0 . 4.51 234 188 A 5 ASN HA A 5 ASN HD21 1.0 . 4.28 235 189 A 12 LYS H A 12 LYS HEx 1.0 . 4.63 236 189 A 12 LYS H A 12 LYS HEy 1.0 . 4.63 237 190 A 11 ARG H A 14 PHE HB3 1.0 . 5.04 238 190 A 14 PHE HB2 A 11 ARG H 1.0 . 5.04 239 191 A 11 ARG H A 11 ARG HDx 1.0 . 4.56 240 191 A 11 ARG H A 11 ARG HDy 1.0 . 4.56 241 192 A 5 ASN H A 3 TRP HBx 1.0 . 5.36 242 192 A 3 TRP HBy A 5 ASN H 1.0 . 5.36 243 193 A 9 SER H A 12 LYS HEx 1.0 . 5.50 244 193 A 9 SER H A 12 LYS HEy 1.0 . 5.50 245 194 A 19 ALA H A 14 PHE HB3 1.0 . 4.54 246 194 A 19 ALA H A 14 PHE HB2 1.0 . 4.54 247 195 A 25 ARG HE A 25 ARG HGx 1.0 . 3.41 248 195 A 25 ARG HGy A 25 ARG HE 1.0 . 3.41 249 196 A 21 ARG HE A 21 ARG HBy 1.0 . 4.19 250 197 A 21 ARG HE A 21 ARG HBx 1.0 . 4.19 251 198 A 21 ARG HE A 21 ARG HG2 1.0 . 3.72 252 198 A 21 ARG HG3 A 21 ARG HE 1.0 . 3.72 253 199 A 24 ARG HE A 24 ARG HB3 1.0 . 4.64 254 200 A 24 ARG HE A 24 ARG HB2 1.0 . 4.64 255 201 A 2 ALA HB1 A 5 ASN HD22 1.0 . 4.95 256 202 A 2 ALA HB1 A 5 ASN HD21 1.0 . 5.50 257 203 A 16 ASP H A 13 GLY HAx 1.0 . 4.01 258 204 A 16 ASP H A 12 LYS HA 1.0 . 5.33 259 205 A 12 LYS H A 10 LEU HDy% 1.0 . 5.50 260 205 A 10 LEU HDx% A 12 LYS H 1.0 . 5.50 261 206 A 3 TRP H A 5 ASN H 1.0 . 4.77 262 207 A 8 SER H A 11 ARG H 1.0 . 5.50 263 208 A 5 ASN HA A 9 SER H 1.0 . 4.80 264 209 A 4 LYS H A 2 ALA H 1.0 . 4.51 265 210 A 4 LYS H A 4 LYS HG2 1.0 . 3.30 266 210 A 4 LYS H A 4 LYS HG3 1.0 . 3.30 267 211 A 5 ASN H A 4 LYS HG2 1.0 . 4.50 268 211 A 5 ASN H A 4 LYS HG3 1.0 . 4.50 269 212 A 7 TRP H A 7 TRP HB3 1.0 . 3.00 270 212 A 7 TRP H A 7 TRP HB2 1.0 . 3.00 271 213 A 9 SER H A 7 TRP HB3 1.0 . 4.76 272 213 A 9 SER H A 7 TRP HB2 1.0 . 4.76 273 214 A 9 SER H A 9 SER HB2 1.0 . 3.20 274 214 A 9 SER H A 9 SER HB3 1.0 . 3.20 275 215 A 10 LEU H A 9 SER HB2 1.0 . 3.39 276 215 A 10 LEU H A 9 SER HB3 1.0 . 3.39 277 216 A 11 ARG H A 11 ARG HBx 1.0 . 3.12 278 216 A 11 ARG H A 11 ARG HBy 1.0 . 3.12 279 217 A 11 ARG H A 11 ARG HGx 1.0 . 3.14 280 217 A 11 ARG H A 11 ARG HGy 1.0 . 3.14 281 218 A 12 LYS H A 11 ARG HBx 1.0 . 4.13 282 218 A 12 LYS H A 11 ARG HBy 1.0 . 4.13 283 219 A 13 GLY H A 12 LYS HG2 1.0 . 4.51 284 219 A 13 GLY H A 12 LYS HG3 1.0 . 4.51 285 220 A 15 TYR H A 15 TYR HB2 1.0 . 3.10 286 220 A 15 TYR H A 15 TYR HB3 1.0 . 3.10 287 221 A 16 ASP H A 16 ASP HB2 1.0 . 3.18 288 221 A 16 ASP H A 16 ASP HB3 1.0 . 3.18 289 222 A 17 GLY H A 16 ASP HB2 1.0 . 3.73 290 222 A 17 GLY H A 16 ASP HB3 1.0 . 3.73 291 223 A 19 ALA H A 20 GLY HA2 1.0 . 5.34 292 223 A 19 ALA H A 20 GLY HA3 1.0 . 5.34 293 224 A 20 GLY H A 21 ARG HBy 1.0 . 4.05 294 224 A 20 GLY H A 21 ARG HBx 1.0 . 4.05 295 225 A 21 ARG H A 20 GLY HA2 1.0 . 2.94 296 225 A 21 ARG H A 20 GLY HA3 1.0 . 2.94 297 226 A 22 ALA H A 20 GLY HA2 1.0 . 4.34 298 226 A 22 ALA H A 20 GLY HA3 1.0 . 4.34 299 227 A 23 ILE H A 20 GLY HA2 1.0 . 4.54 300 227 A 23 ILE H A 20 GLY HA3 1.0 . 4.54 301 228 A 21 ARG H A 21 ARG HBy 1.0 . 2.45 302 228 A 21 ARG H A 21 ARG HBx 1.0 . 2.45 303 229 A 21 ARG HE A 21 ARG HBy 1.0 . 3.52 304 229 A 21 ARG HE A 21 ARG HBx 1.0 . 3.52 305 230 A 22 ALA H A 21 ARG HBy 1.0 . 3.59 306 230 A 22 ALA H A 21 ARG HBx 1.0 . 3.59 307 231 A 24 ARG H A 24 ARG HB3 1.0 . 3.47 308 231 A 24 ARG H A 24 ARG HB2 1.0 . 3.47 309 232 A 24 ARG H A 24 ARG HG2 1.0 . 3.65 310 232 A 24 ARG H A 24 ARG HG3 1.0 . 3.65 311 233 A 24 ARG HE A 24 ARG HB3 1.0 . 4.00 312 233 A 24 ARG HE A 24 ARG HB2 1.0 . 4.00 313 234 A 24 ARG HE A 24 ARG HG2 1.0 . 3.69 314 234 A 24 ARG HE A 24 ARG HG3 1.0 . 3.69 315 235 A 25 ARG H A 24 ARG HG2 1.0 . 5.34 316 235 A 25 ARG H A 24 ARG HG3 1.0 . 5.34 317 236 A 25 ARG H A 25 ARG HB3 1.0 . 2.82 318 236 A 25 ARG H A 25 ARG HB2 1.0 . 2.82 319 237 A 25 ARG HE A 25 ARG HB3 1.0 . 3.81 320 237 A 25 ARG HE A 25 ARG HB2 1.0 . 3.81 321 238 A 3 TRP HD1 A 3 TRP HBx 1.0 . 3.61 322 238 A 3 TRP HBy A 3 TRP HD1 1.0 . 3.61 323 239 A 3 TRP HA A 3 TRP HD1 1.0 . 4.92 324 240 A 3 TRP HA A 3 TRP HE3 1.0 . 4.50 325 241 A 3 TRP HE3 A 3 TRP HBx 1.0 . 3.56 326 241 A 3 TRP HBy A 3 TRP HE3 1.0 . 3.56 327 242 A 7 TRP HE3 A 10 LEU HBx 1.0 . 4.06 328 242 A 10 LEU HBy A 7 TRP HE3 1.0 . 4.06 329 243 A 15 TYR HA A 15 TYR HD% 1.0 . 3.65 330 244 A 7 TRP HD1 A 7 TRP HB2 1.0 . 3.88 331 245 A 6 PHE HD% A 6 PHE HA 1.0 . 3.76 332 246 A 8 SER HA A 11 ARG HE 1.0 . 3.68 333 247 A 7 TRP HE3 A 10 LEU HDx% 1.0 . 4.18 334 248 A 2 ALA HB1 A 3 TRP HD1 1.0 . 4.81 335 249 A 22 ALA HB1 A 24 ARG HE 1.0 . 5.50 336 250 A 12 LYS HA A 13 GLY HAx 1.0 . 4.66 337 250 A 12 LYS HA A 13 GLY HAy 1.0 . 4.66 338 251 A 8 SER HA A 11 ARG HBx 1.0 . 4.87 339 251 A 8 SER HA A 11 ARG HBy 1.0 . 4.87 340 252 A 25 ARG HDy A 25 ARG HB3 1.0 . 3.73 341 252 A 25 ARG HB3 A 25 ARG HDx 1.0 . 3.73 342 253 A 24 ARG HDy A 24 ARG HB3 1.0 . 3.61 343 253 A 24 ARG HB3 A 24 ARG HDx 1.0 . 3.61 344 254 A 25 ARG HDy A 25 ARG HB2 1.0 . 3.73 345 254 A 25 ARG HB2 A 25 ARG HDx 1.0 . 3.73 346 255 A 24 ARG HDy A 24 ARG HB2 1.0 . 3.65 347 255 A 24 ARG HB2 A 24 ARG HDx 1.0 . 3.65 348 256 A 21 ARG HA A 21 ARG HBy 1.0 . 3.02 349 256 A 21 ARG HA A 21 ARG HBx 1.0 . 3.02 350 257 A 21 ARG HG3 A 21 ARG HA 1.0 . 3.63 351 258 A 21 ARG HA A 21 ARG HG2 1.0 . 3.63 352 259 A 12 LYS HA A 12 LYS HG2 1.0 . 3.38 353 260 A 23 ILE HA A 23 ILE HG13 1.0 . 4.49 354 261 A 23 ILE HG21 A 23 ILE HA 1.0 . 3.62 355 262 A 23 ILE HD11 A 23 ILE HA 1.0 . 4.22 356 263 A 10 LEU HA A 10 LEU HDy% 1.0 . 3.37 357 264 A 12 LYS HA A 11 ARG HBx 1.0 . 4.82 358 264 A 12 LYS HA A 11 ARG HBy 1.0 . 4.82 359 265 A 12 LYS HA A 12 LYS HDx 1.0 . 4.97 360 265 A 12 LYS HDy A 12 LYS HA 1.0 . 4.97 361 266 A 23 ILE HA A 24 ARG HB2 1.0 . 4.98 362 267 A 12 LYS HA A 12 LYS HBx 1.0 . 2.95 363 267 A 12 LYS HBy A 12 LYS HA 1.0 . 2.95 364 268 A 11 ARG HA A 11 ARG HGx 1.0 . 3.43 365 268 A 11 ARG HA A 11 ARG HGy 1.0 . 3.43 366 269 A 17 GLY HAy A 18 GLU HBx 1.0 . 4.72 367 269 A 17 GLY HAx A 18 GLU HBx 1.0 . 4.72 368 269 A 18 GLU HBy A 17 GLY HAx 1.0 . 4.72 369 269 A 18 GLU HBy A 17 GLY HAy 1.0 . 4.72 370 270 A 18 GLU HA A 18 GLU HGx 1.0 . 3.72 371 270 A 18 GLU HGy A 18 GLU HA 1.0 . 3.72 372 271 A 17 GLY HAy A 18 GLU HGx 1.0 . 5.50 373 271 A 17 GLY HAx A 18 GLU HGx 1.0 . 5.50 374 271 A 18 GLU HGy A 17 GLY HAx 1.0 . 5.50 375 271 A 18 GLU HGy A 17 GLY HAy 1.0 . 5.50 376 272 A 12 LYS HA A 12 LYS HEx 1.0 . 4.79 377 272 A 12 LYS HA A 12 LYS HEy 1.0 . 4.79 378 273 A 18 GLU HA A 21 ARG HDx 1.0 . 5.50 379 273 A 18 GLU HA A 21 ARG HDy 1.0 . 5.50 380 274 A 21 ARG HA A 21 ARG HDx 1.0 . 4.49 381 274 A 21 ARG HA A 21 ARG HDy 1.0 . 4.49 382 275 A 21 ARG HA A 24 ARG HDx 1.0 . 4.76 383 275 A 24 ARG HDy A 21 ARG HA 1.0 . 4.76 384 276 A 8 SER HA A 7 TRP HB3 1.0 . 4.55 385 277 A 19 ALA HA A 20 GLY HA2 1.0 . 4.50 386 278 A 21 ARG HA A 20 GLY HA3 1.0 . 4.51 387 279 A 5 ASN HA A 9 SER HB2 1.0 . 4.65 388 280 A 2 ALA HA A 1 GLY HAx 1.0 . 4.22 389 280 A 1 GLY HAy A 2 ALA HA 1.0 . 4.22 390 281 A 6 PHE HA A 9 SER HB3 1.0 . 4.79 391 282 A 3 TRP HA A 6 PHE HB3 1.0 . 4.55 392 283 A 3 TRP HA A 6 PHE HB2 1.0 . 4.55 393 284 A 14 PHE HB2 A 11 ARG HA 1.0 . 4.65 394 285 A 11 ARG HA A 11 ARG HDx 1.0 . 4.59 395 285 A 11 ARG HA A 11 ARG HDy 1.0 . 4.59 396 286 A 14 PHE HA A 14 PHE HE% 1.0 . 4.87 397 287 A 14 PHE HD% A 14 PHE HA 1.0 . 3.32 398 288 A 15 TYR HD% A 12 LYS HA 1.0 . 5.03 399 289 A 7 TRP HD1 A 7 TRP HA 1.0 . 5.06 400 290 A 6 PHE HD% A 7 TRP HB3 1.0 . 5.50 401 291 A 6 PHE HD% A 3 TRP HA 1.0 . 4.12 402 292 A 3 TRP HA A 6 PHE HE% 1.0 . 5.50 403 293 A 24 ARG HE A 21 ARG HA 1.0 . 5.50 404 294 A 11 ARG HE A 11 ARG HGx 1.0 . 3.50 405 294 A 11 ARG HGy A 11 ARG HE 1.0 . 3.50 406 295 A 19 ALA HB1 A 14 PHE HD% 1.0 . 4.84 407 296 A 15 TYR HD% A 11 ARG HGx 1.0 . 4.84 408 296 A 15 TYR HD% A 11 ARG HGy 1.0 . 4.84 409 297 A 14 PHE HE% A 10 LEU HBx 1.0 . 4.82 410 297 A 10 LEU HBy A 14 PHE HE% 1.0 . 4.82 411 298 A 6 PHE HZ A 10 LEU HG 1.0 . 5.50 412 299 A 6 PHE HE% A 10 LEU HBx 1.0 . 5.50 413 299 A 10 LEU HBy A 6 PHE HE% 1.0 . 5.50 414 300 A 6 PHE HE% A 10 LEU HG 1.0 . 5.50 415 301 A 7 TRP HZ3 A 10 LEU HBx 1.0 . 4.49 416 301 A 10 LEU HBy A 7 TRP HZ3 1.0 . 4.49 417 302 A 6 PHE HD% A 10 LEU HG 1.0 . 4.76 418 303 A 15 TYR HE% A 11 ARG HGx 1.0 . 5.13 419 303 A 11 ARG HGy A 15 TYR HE% 1.0 . 5.13 420 304 A 7 TRP HE3 A 7 TRP HA 1.0 . 4.41 421 305 A 12 LYS HEy A 12 LYS HG2 1.0 . 3.84 422 305 A 12 LYS HEx A 12 LYS HG2 1.0 . 3.84 423 306 A 12 LYS HG3 A 12 LYS HEx 1.0 . 3.84 424 306 A 12 LYS HEy A 12 LYS HG3 1.0 . 3.84 425 307 A 11 ARG HBx A 11 ARG HDx 1.0 . 4.04 426 307 A 11 ARG HBy A 11 ARG HDx 1.0 . 4.04 427 307 A 11 ARG HDy A 11 ARG HBx 1.0 . 4.04 428 307 A 11 ARG HDy A 11 ARG HBy 1.0 . 4.04 429 308 A 12 LYS HBy A 12 LYS HEx 1.0 . 4.11 430 308 A 12 LYS HBx A 12 LYS HEx 1.0 . 4.11 431 308 A 12 LYS HEy A 12 LYS HBx 1.0 . 4.11 432 308 A 12 LYS HBy A 12 LYS HEy 1.0 . 4.11 433 309 A 4 LYS HBx A 4 LYS HEx 1.0 . 5.39 434 309 A 4 LYS HBy A 4 LYS HEx 1.0 . 5.39 435 309 A 4 LYS HEy A 4 LYS HBx 1.0 . 5.39 436 309 A 4 LYS HBy A 4 LYS HEy 1.0 . 5.39 437 310 A 12 LYS HZ% A 12 LYS HDx 1.0 . 3.67 438 310 A 12 LYS HDy A 12 LYS HZ% 1.0 . 3.67 439 311 A 17 GLY HAy A 16 ASP HB2 1.0 . 4.73 440 311 A 16 ASP HB2 A 17 GLY HAx 1.0 . 4.73 441 312 A 9 SER HB3 A 5 ASN HBx 1.0 . 5.50 442 312 A 5 ASN HBy A 9 SER HB3 1.0 . 5.50 443 313 A 11 ARG HE A 11 ARG HBx 1.0 . 5.50 444 313 A 11 ARG HBy A 11 ARG HE 1.0 . 5.50 445 314 A 10 LEU HDx% A 14 PHE HE% 1.0 . 5.01 446 315 A 14 PHE HE% A 10 LEU HDy% 1.0 . 4.66 447 316 A 10 LEU HDx% A 6 PHE HZ 1.0 . 4.05 448 317 A 6 PHE HD% A 10 LEU HDx% 1.0 . 3.32 449 318 A 6 PHE HD% A 10 LEU HDy% 1.0 . 5.49 450 319 A 10 LEU HDx% A 14 PHE HD% 1.0 . 5.50 451 320 A 14 PHE HD% A 10 LEU HDy% 1.0 . 5.50 452 321 A 4 LYS HZ% A 4 LYS HDx 1.0 . 4.15 453 321 A 4 LYS HDy A 4 LYS HZ% 1.0 . 4.15 454 322 A 19 ALA HB1 A 20 GLY HA3 1.0 . 4.36 455 323 A 19 ALA HB1 A 15 TYR HA 1.0 . 4.08 456 324 A 19 ALA HB1 A 20 GLY HA2 1.0 . 4.86 457 325 A 22 ALA HB1 A 24 ARG HDx 1.0 . 5.50 458 325 A 22 ALA HB1 A 24 ARG HDy 1.0 . 5.50 459 326 A 11 ARG HA A 14 PHE HB3 1.0 . 4.60 460 327 A 17 GLY HAy A 16 ASP HB3 1.0 . 4.33 461 327 A 16 ASP HB3 A 17 GLY HAx 1.0 . 4.33 462 328 A 9 SER HB3 A 10 LEU HG 1.0 . 3.75 463 329 A 12 LYS HA A 12 LYS HG3 1.0 . 3.58 464 330 A 23 ILE HG12 A 23 ILE HA 1.0 . 3.83 465 331 A 6 PHE HA A 10 LEU HDx% 1.0 . 4.61 466 332 A 23 ILE HD11 A 20 GLY HA3 1.0 . 5.50 467 333 A 10 LEU HG A 9 SER HB2 1.0 . 4.89 468 334 A 23 ILE HD11 A 23 ILE HB 1.0 . 3.76 469 335 A 23 ILE HD11 A 25 ARG HGx 1.0 . 4.87 470 335 A 23 ILE HD11 A 25 ARG HGy 1.0 . 4.87 471 336 A 23 ILE HG21 A 25 ARG HGx 1.0 . 4.15 472 336 A 23 ILE HG21 A 25 ARG HGy 1.0 . 4.15 473 337 A 23 ILE HD11 A 22 ALA HB1 1.0 . 4.31 474 338 A 19 ALA HB1 A 18 GLU HBx 1.0 . 4.87 475 338 A 19 ALA HB1 A 18 GLU HBy 1.0 . 4.87 476 339 A 11 ARG HBy A 11 ARG HGx 1.0 . 2.79 477 339 A 11 ARG HBx A 11 ARG HGx 1.0 . 2.79 478 339 A 11 ARG HGy A 11 ARG HBx 1.0 . 2.79 479 339 A 11 ARG HBy A 11 ARG HGy 1.0 . 2.79 480 340 A 4 LYS HBy A 4 LYS HDx 1.0 . 2.61 481 340 A 4 LYS HBx A 4 LYS HDx 1.0 . 2.61 482 340 A 4 LYS HDy A 4 LYS HBx 1.0 . 2.61 483 340 A 4 LYS HDy A 4 LYS HBy 1.0 . 2.61 484 341 A 19 ALA HB1 A 18 GLU HGx 1.0 . 5.50 485 341 A 19 ALA HB1 A 18 GLU HGy 1.0 . 5.50 486 342 A 19 ALA HB1 A 14 PHE HB3 1.0 . 5.50 487 343 A 19 ALA HB1 A 17 GLY HAx 1.0 . 5.01 488 343 A 19 ALA HB1 A 17 GLY HAy 1.0 . 5.01 489 344 A 3 TRP HA A 2 ALA HA 1.0 . 5.33 490 345 A 3 TRP HA A 4 LYS HA 1.0 . 5.50 491 346 A 16 ASP HA A 17 GLY HAx 1.0 . 4.68 492 346 A 17 GLY HAy A 16 ASP HA 1.0 . 4.68 493 347 A 12 LYS HA A 11 ARG HDx 1.0 . 4.94 494 347 A 12 LYS HA A 11 ARG HDy 1.0 . 4.94 495 348 A 4 LYS HDy A 5 ASN HBx 1.0 . 4.99 496 348 A 5 ASN HBy A 4 LYS HDx 1.0 . 4.99 497 348 A 5 ASN HBy A 4 LYS HDy 1.0 . 4.99 498 348 A 4 LYS HDx A 5 ASN HBx 1.0 . 4.99 499 349 A 2 ALA HB1 A 5 ASN HBx 1.0 . 4.14 500 349 A 2 ALA HB1 A 5 ASN HBy 1.0 . 4.14 501 350 A 2 ALA HB1 A 3 TRP HBx 1.0 . 4.45 502 350 A 2 ALA HB1 A 3 TRP HBy 1.0 . 4.45 503 351 A 9 SER HB3 A 10 LEU HDy% 1.0 . 4.64 504 352 A 10 LEU HDx% A 10 LEU HBx 1.0 . 3.59 505 352 A 10 LEU HBy A 10 LEU HDx% 1.0 . 3.59 506 353 A 15 TYR HD% A 11 ARG HBx 1.0 . 5.24 507 353 A 15 TYR HD% A 11 ARG HBy 1.0 . 5.24 508 354 A 15 TYR HD% A 11 ARG HA 1.0 . 5.50 509 355 A 3 TRP HA A 6 PHE HB3 1.0 . 3.81 510 355 A 3 TRP HA A 6 PHE HB2 1.0 . 3.81 511 356 A 3 TRP HE3 A 6 PHE HB3 1.0 . 5.34 512 356 A 3 TRP HE3 A 6 PHE HB2 1.0 . 5.34 513 357 A 4 LYS HEy A 4 LYS HG2 1.0 . 2.90 514 357 A 4 LYS HEx A 4 LYS HG2 1.0 . 2.90 515 357 A 4 LYS HG3 A 4 LYS HEx 1.0 . 2.90 516 357 A 4 LYS HG3 A 4 LYS HEy 1.0 . 2.90 517 358 A 8 SER HB3 A 7 TRP HB3 1.0 . 4.37 518 358 A 7 TRP HB3 A 8 SER HB2 1.0 . 4.37 519 359 A 8 SER HB2 A 11 ARG HBx 1.0 . 4.76 520 359 A 8 SER HB3 A 11 ARG HBx 1.0 . 4.76 521 359 A 11 ARG HBy A 8 SER HB2 1.0 . 4.76 522 359 A 8 SER HB3 A 11 ARG HBy 1.0 . 4.76 523 360 A 11 ARG HE A 8 SER HB2 1.0 . 4.83 524 360 A 8 SER HB3 A 11 ARG HE 1.0 . 4.83 525 361 A 12 LYS HA A 12 LYS HG2 1.0 . 2.71 526 361 A 12 LYS HA A 12 LYS HG3 1.0 . 2.71 527 362 A 12 LYS HA A 15 TYR HB2 1.0 . 4.03 528 362 A 12 LYS HA A 15 TYR HB3 1.0 . 4.03 529 363 A 12 LYS HEy A 12 LYS HG2 1.0 . 3.15 530 363 A 12 LYS HEx A 12 LYS HG2 1.0 . 3.15 531 363 A 12 LYS HG3 A 12 LYS HEx 1.0 . 3.15 532 363 A 12 LYS HEy A 12 LYS HG3 1.0 . 3.15 533 364 A 19 ALA HB1 A 15 TYR HB2 1.0 . 5.01 534 364 A 19 ALA HB1 A 15 TYR HB3 1.0 . 5.01 535 365 A 21 ARG HBy A 21 ARG HG2 1.0 . 2.44 536 365 A 21 ARG HBx A 21 ARG HG2 1.0 . 2.44 537 365 A 21 ARG HG3 A 21 ARG HBy 1.0 . 2.44 538 365 A 21 ARG HG3 A 21 ARG HBx 1.0 . 2.44 539 366 A 25 ARG HB2 A 25 ARG HDx 1.0 . 3.12 540 366 A 25 ARG HB3 A 25 ARG HDx 1.0 . 3.12 541 366 A 25 ARG HDy A 25 ARG HB3 1.0 . 3.12 542 366 A 25 ARG HDy A 25 ARG HB2 1.0 . 3.12 543 367 A 5 ASN H A 4 LYS HBx 1.0 . 4.00 544 367 A 5 ASN H A 4 LYS HBy 1.0 . 4.00 545 368 A 23 ILE HB A 24 ARG H 1.0 . 5.00 546 369 A 7 TRP H A 4 LYS HA 1.0 . 4.00 547 370 A 13 GLY H A 10 LEU HA 1.0 . 4.00 548 371 A 3 TRP H A 2 ALA HA 1.0 . 4.00 549 372 A 5 ASN H A 4 LYS HA 1.0 . 4.00 550 373 A 5 ASN HA A 6 PHE H 1.0 . 4.00 551 374 A 8 SER H A 7 TRP HA 1.0 . 4.00 552 375 A 10 LEU H A 9 SER HA 1.0 . 3.50 553 376 A 11 ARG H A 10 LEU HA 1.0 . 4.00 554 377 A 12 LYS H A 11 ARG HA 1.0 . 3.50 555 378 A 13 GLY H A 12 LYS HA 1.0 . 3.50 556 379 A 14 PHE H A 13 GLY HAx 1.0 . 3.50 557 380 A 14 PHE H A 13 GLY HAy 1.0 . 3.50 558 381 A 16 ASP H A 15 TYR HA 1.0 . 3.50 559 382 A 17 GLY H A 16 ASP HA 1.0 . 3.50 560 383 A 23 ILE H A 22 ALA HA 1.0 . 3.40 561 384 A 25 ARG H A 24 ARG HA 1.0 . 4.00 562 385 A 7 TRP HB2 A 4 LYS HA 1.0 . 4.50 563 386 A 4 LYS HA A 7 TRP HB3 1.0 . 4.50 stop_ save_