data_nef_c17969_2lk0 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 17970 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 1 ACE C 1 2 LYS N 1 31 ASP C 1 32 NH2 N 1 25 CYS SG 2 1 ZN ZN 1 11 CYS SG 2 1 ZN ZN 1 8 CYS SG 2 1 ZN ZN 1 22 CYS SG 2 1 ZN ZN stop_ 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 0 ACE start . . 2 A 1 LYS middle . . 3 A 2 PHE middle . . 4 A 3 GLU middle . . 5 A 4 ASP middle . . 6 A 5 TRP middle . . 7 A 6 LEU middle . . 8 A 7 CYS middle -HG . 9 A 8 ASN middle . . 10 A 9 LYS middle . . 11 A 10 CYS middle -HG . 12 A 11 CYS middle . . 13 A 12 LEU middle . . 14 A 13 ASN middle . . 15 A 14 ASN middle . . 16 A 15 PHE middle . . 17 A 16 ARG middle . . 18 A 17 LYS middle . . 19 A 18 ARG middle . . 20 A 19 LEU middle . . 21 A 20 LYS middle . . 22 A 21 CYS middle -HG . 23 A 22 PHE middle . . 24 A 23 ARG middle . . 25 A 24 CYS middle -HG . 26 A 25 GLY middle . false 27 A 26 ALA middle . . 28 A 27 ASP middle . . 29 A 28 LYS middle . . 30 A 29 PHE middle . . 31 A 30 ASP middle . . 32 A 31 NH2 end . . 33 B 1 ZN . . . 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 LYS H H 1 8.040 0.020 A 1 LYS HA H 1 3.956 0.020 A 1 LYS HBy H 1 1.752 0.020 A 1 LYS HBx H 1 1.370 0.020 A 1 LYS HD2 H 1 1.359 0.020 A 1 LYS HD3 H 1 1.359 0.020 A 1 LYS HE2 H 1 2.702 0.020 A 1 LYS HE3 H 1 2.702 0.020 A 1 LYS HGy H 1 1.076 0.020 A 1 LYS HGx H 1 1.002 0.020 A 2 PHE H H 1 8.336 0.020 A 2 PHE HA H 1 4.558 0.020 A 2 PHE HBy H 1 2.991 0.020 A 2 PHE HBx H 1 2.725 0.020 A 2 PHE HD1 H 1 7.055 0.020 A 2 PHE HD2 H 1 7.055 0.020 A 2 PHE HE1 H 1 7.117 0.020 A 2 PHE HE2 H 1 7.117 0.020 A 3 GLU H H 1 8.032 0.020 A 3 GLU HA H 1 4.282 0.020 A 3 GLU HB2 H 1 1.706 0.020 A 3 GLU HB3 H 1 1.706 0.020 A 3 GLU HG2 H 1 2.011 0.020 A 3 GLU HG3 H 1 2.011 0.020 A 4 ASP H H 1 8.089 0.020 A 4 ASP HA H 1 4.432 0.020 A 4 ASP HBy H 1 2.569 0.020 A 4 ASP HBx H 1 2.264 0.020 A 5 TRP H H 1 8.350 0.020 A 5 TRP HA H 1 4.865 0.020 A 5 TRP HBy H 1 3.127 0.020 A 5 TRP HBx H 1 2.873 0.020 A 5 TRP HD1 H 1 6.906 0.020 A 5 TRP HE1 H 1 9.460 0.020 A 5 TRP HE3 H 1 7.127 0.020 A 5 TRP HH2 H 1 6.615 0.020 A 5 TRP HZ2 H 1 6.422 0.020 A 5 TRP HZ3 H 1 6.869 0.020 A 6 LEU H H 1 8.634 0.020 A 6 LEU HA H 1 4.381 0.020 A 6 LEU HB2 H 1 1.340 0.020 A 6 LEU HB3 H 1 1.340 0.020 A 6 LEU HD1% H 1 0.604 0.020 A 6 LEU HD2% H 1 0.534 0.020 A 6 LEU HG H 1 1.181 0.020 A 7 CYS H H 1 8.442 0.020 A 7 CYS HA H 1 4.487 0.020 A 7 CYS HBy H 1 2.939 0.020 A 7 CYS HBx H 1 2.504 0.020 A 8 ASN H H 1 8.949 0.020 A 8 ASN HA H 1 4.375 0.020 A 8 ASN HBy H 1 2.698 0.020 A 8 ASN HBx H 1 2.559 0.020 A 8 ASN HD21 H 1 6.717 0.020 A 8 ASN HD22 H 1 7.449 0.020 A 9 LYS H H 1 9.070 0.020 A 9 LYS HA H 1 4.241 0.020 A 9 LYS HB2 H 1 1.780 0.020 A 9 LYS HB3 H 1 1.780 0.020 A 9 LYS HDy H 1 1.537 0.020 A 9 LYS HDx H 1 1.446 0.020 A 9 LYS HE2 H 1 2.794 0.020 A 9 LYS HE3 H 1 2.794 0.020 A 9 LYS HG2 H 1 1.240 0.020 A 9 LYS HG3 H 1 1.240 0.020 A 10 CYS H H 1 8.811 0.020 A 10 CYS HA H 1 4.070 0.020 A 10 CYS HBy H 1 3.030 0.020 A 10 CYS HBx H 1 2.415 0.020 A 11 CYS H H 1 7.612 0.020 A 11 CYS HA H 1 3.975 0.020 A 11 CYS HBy H 1 3.037 0.020 A 11 CYS HBx H 1 2.989 0.020 A 12 LEU H H 1 7.611 0.020 A 12 LEU HA H 1 3.978 0.020 A 12 LEU HB2 H 1 1.345 0.020 A 12 LEU HB3 H 1 1.345 0.020 A 12 LEU HD1% H 1 0.793 0.020 A 12 LEU HD2% H 1 0.654 0.020 A 12 LEU HG H 1 1.259 0.020 A 13 ASN H H 1 8.373 0.020 A 13 ASN HA H 1 4.538 0.020 A 13 ASN HBy H 1 2.341 0.020 A 13 ASN HBx H 1 2.247 0.020 A 13 ASN HD21 H 1 6.588 0.020 A 13 ASN HD22 H 1 7.126 0.020 A 14 ASN H H 1 9.053 0.020 A 14 ASN HA H 1 4.195 0.020 A 14 ASN HBy H 1 1.217 0.020 A 14 ASN HBx H 1 0.164 0.020 A 15 PHE H H 1 7.646 0.020 A 15 PHE HA H 1 4.333 0.020 A 15 PHE HBy H 1 3.000 0.020 A 15 PHE HBx H 1 2.680 0.020 A 15 PHE HD1 H 1 7.205 0.020 A 15 PHE HD2 H 1 7.205 0.020 A 15 PHE HE1 H 1 7.144 0.020 A 15 PHE HE2 H 1 7.144 0.020 A 16 ARG H H 1 8.165 0.020 A 16 ARG HA H 1 3.976 0.020 A 16 ARG HBy H 1 1.505 0.020 A 16 ARG HBx H 1 1.413 0.020 A 16 ARG HD2 H 1 2.796 0.020 A 16 ARG HD3 H 1 2.796 0.020 A 16 ARG HE H 1 7.089 0.020 A 16 ARG HGy H 1 0.917 0.020 A 16 ARG HGx H 1 0.753 0.020 A 17 LYS H H 1 5.940 0.020 A 17 LYS HA H 1 4.008 0.020 A 17 LYS HBy H 1 1.814 0.020 A 17 LYS HBx H 1 1.565 0.020 A 17 LYS HD2 H 1 1.515 0.020 A 17 LYS HD3 H 1 1.515 0.020 A 17 LYS HE2 H 1 2.752 0.020 A 17 LYS HE3 H 1 2.752 0.020 A 17 LYS HG2 H 1 1.101 0.020 A 17 LYS HG3 H 1 1.101 0.020 A 18 ARG H H 1 8.261 0.020 A 18 ARG HA H 1 4.176 0.020 A 18 ARG HBy H 1 2.087 0.020 A 18 ARG HBx H 1 1.991 0.020 A 18 ARG HDy H 1 3.365 0.020 A 18 ARG HDx H 1 3.308 0.020 A 18 ARG HE H 1 7.289 0.020 A 18 ARG HG2 H 1 1.779 0.020 A 18 ARG HG3 H 1 1.779 0.020 A 19 LEU H H 1 8.696 0.020 A 19 LEU HA H 1 4.139 0.020 A 19 LEU HB2 H 1 1.519 0.020 A 19 LEU HB3 H 1 1.519 0.020 A 19 LEU HD1% H 1 0.774 0.020 A 19 LEU HD2% H 1 0.634 0.020 A 19 LEU HG H 1 1.328 0.020 A 20 LYS H H 1 7.487 0.020 A 20 LYS HA H 1 4.960 0.020 A 20 LYS HB2 H 1 1.424 0.020 A 20 LYS HB3 H 1 1.424 0.020 A 20 LYS HD2 H 1 1.233 0.020 A 20 LYS HD3 H 1 1.233 0.020 A 20 LYS HE2 H 1 2.762 0.020 A 20 LYS HE3 H 1 2.762 0.020 A 20 LYS HG2 H 1 1.173 0.020 A 20 LYS HG3 H 1 1.173 0.020 A 21 CYS H H 1 9.615 0.020 A 21 CYS HA H 1 3.933 0.020 A 21 CYS HBy H 1 3.070 0.020 A 21 CYS HBx H 1 2.966 0.020 A 22 PHE H H 1 9.007 0.020 A 22 PHE HA H 1 4.011 0.020 A 22 PHE HBy H 1 2.967 0.020 A 22 PHE HBx H 1 2.542 0.020 A 22 PHE HD1 H 1 6.946 0.020 A 22 PHE HD2 H 1 6.946 0.020 A 22 PHE HE1 H 1 7.150 0.020 A 22 PHE HE2 H 1 7.150 0.020 A 23 ARG H H 1 8.787 0.020 A 23 ARG HA H 1 4.071 0.020 A 23 ARG HBy H 1 2.050 0.020 A 23 ARG HBx H 1 1.503 0.020 A 23 ARG HDy H 1 3.147 0.020 A 23 ARG HDx H 1 3.001 0.020 A 23 ARG HE H 1 7.247 0.020 A 23 ARG HGy H 1 1.392 0.020 A 23 ARG HGx H 1 1.325 0.020 A 24 CYS H H 1 8.257 0.020 A 24 CYS HA H 1 4.745 0.020 A 24 CYS HBy H 1 3.048 0.020 A 24 CYS HBx H 1 2.414 0.020 A 25 GLY H H 1 7.512 0.020 A 25 GLY HAy H 1 4.033 0.020 A 25 GLY HAx H 1 3.624 0.020 A 26 ALA H H 1 8.702 0.020 A 26 ALA HA H 1 4.091 0.020 A 26 ALA HB% H 1 1.411 0.020 A 27 ASP H H 1 8.457 0.020 A 27 ASP HA H 1 4.401 0.020 A 27 ASP HBy H 1 2.376 0.020 A 27 ASP HBx H 1 2.242 0.020 A 28 LYS H H 1 7.308 0.020 A 28 LYS HA H 1 2.481 0.020 A 28 LYS HB2 H 1 0.482 0.020 A 28 LYS HB3 H 1 0.482 0.020 A 28 LYS HDy H 1 0.575 0.020 A 28 LYS HDx H 1 -0.212 0.020 A 28 LYS HEy H 1 2.044 0.020 A 28 LYS HEx H 1 0.368 0.020 A 28 LYS HGy H 1 0.134 0.020 A 28 LYS HGx H 1 -0.838 0.020 A 29 PHE H H 1 7.708 0.020 A 29 PHE HA H 1 4.298 0.020 A 29 PHE HBy H 1 2.912 0.020 A 29 PHE HBx H 1 2.788 0.020 A 29 PHE HD1 H 1 7.070 0.020 A 29 PHE HD2 H 1 7.070 0.020 A 29 PHE HE1 H 1 7.116 0.020 A 29 PHE HE2 H 1 7.116 0.020 A 30 ASP H H 1 7.839 0.020 A 30 ASP HA H 1 4.288 0.020 A 30 ASP HB2 H 1 2.365 0.020 A 30 ASP HB3 H 1 2.365 0.020 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 5 TRP HE3 A 6 LEU HB2 1.0 . 5.24 2 1 A 5 TRP HE3 A 6 LEU HB3 1.0 . 5.24 3 2 A 5 TRP HE3 A 5 TRP HBy 1.0 . 2.81 4 3 A 5 TRP HE3 A 28 LYS HA 1.0 . 4.19 5 4 A 1 LYS H A 1 LYS HBx 1.0 . 2.95 6 5 A 1 LYS HE3 A 1 LYS HBx 1.0 . 6.38 7 5 A 1 LYS HBx A 1 LYS HE2 1.0 . 6.38 8 6 A 3 GLU HA A 3 GLU HG2 1.0 . 3.63 9 6 A 3 GLU HA A 3 GLU HG3 1.0 . 3.63 10 7 A 26 ALA H A 26 ALA HB% 1.0 . 3.71 11 8 A 5 TRP HH2 A 21 CYS HA 1.0 . 3.25 12 9 A 5 TRP HH2 A 20 LYS HA 1.0 . 3.59 13 10 A 5 TRP HH2 A 21 CYS H 1.0 . 3.00 14 11 A 5 TRP HH2 A 21 CYS HBx 1.0 . 3.85 15 12 A 5 TRP HH2 A 21 CYS HBy 1.0 . 3.85 16 13 A 3 GLU H A 3 GLU HG2 1.0 . 4.00 17 13 A 3 GLU HG3 A 3 GLU H 1.0 . 4.00 18 14 A 3 GLU H A 2 PHE HA 1.0 . 2.76 19 15 A 29 PHE HA A 29 PHE HE% 1.0 . 6.45 20 16 A 1 LYS H A 1 LYS HBy 1.0 . 2.95 21 17 A 2 PHE HA A 2 PHE HD% 1.0 . 5.34 22 18 A 2 PHE HD% A 2 PHE H 1.0 . 6.47 23 19 A 29 PHE HA A 29 PHE HBy 1.0 . 2.85 24 20 A 15 PHE HD% A 17 LYS HBy 1.0 . 5.12 25 21 A 15 PHE HD% A 15 PHE H 1.0 . 5.99 26 22 A 15 PHE HD% A 17 LYS HG2 1.0 . 6.13 27 22 A 15 PHE HD% A 17 LYS HG3 1.0 . 6.13 28 23 A 15 PHE HD% A 17 LYS HBx 1.0 . 5.12 29 24 A 15 PHE HD% A 17 LYS H 1.0 . 5.67 30 25 A 15 PHE HD% A 15 PHE HA 1.0 . 4.79 31 26 A 26 ALA H A 25 GLY H 1.0 . 3.29 32 27 A 25 GLY H A 25 GLY HAx 1.0 . 2.90 33 28 A 21 CYS H A 25 GLY H 1.0 . 5.50 34 29 A 25 GLY H A 23 ARG H 1.0 . 4.39 35 30 A 25 GLY H A 25 GLY HAy 1.0 . 2.90 36 31 A 5 TRP HBy A 5 TRP HD1 1.0 . 3.70 37 32 A 5 TRP HD1 A 4 ASP HA 1.0 . 3.74 38 33 A 5 TRP HD1 A 16 ARG HA 1.0 . 2.56 39 34 A 5 TRP HD1 A 5 TRP HBx 1.0 . 3.01 40 35 A 5 TRP HD1 A 5 TRP HA 1.0 . 5.50 41 36 A 17 LYS HA A 17 LYS HBy 1.0 . 2.99 42 37 A 5 TRP HBy A 5 TRP HA 1.0 . 2.73 43 38 A 18 ARG HA A 18 ARG HDx 1.0 . 4.16 44 39 A 7 CYS HA A 8 ASN H 1.0 . 2.62 45 40 A 8 ASN H A 8 ASN HBx 1.0 . 3.47 46 41 A 8 ASN H A 9 LYS H 1.0 . 3.15 47 42 A 8 ASN H A 8 ASN HBy 1.0 . 3.47 48 43 A 15 PHE H A 15 PHE HBx 1.0 . 3.38 49 44 A 15 PHE H A 14 ASN HA 1.0 . 2.63 50 45 A 15 PHE H A 15 PHE HBy 1.0 . 3.38 51 46 A 10 CYS H A 9 LYS HB2 1.0 . 3.80 52 46 A 9 LYS HB3 A 10 CYS H 1.0 . 3.80 53 47 A 9 LYS H A 10 CYS H 1.0 . 3.16 54 48 A 10 CYS H A 11 CYS H 1.0 . 3.00 55 49 A 9 LYS HA A 9 LYS HG2 1.0 . 4.13 56 49 A 9 LYS HA A 9 LYS HG3 1.0 . 4.13 57 50 A 5 TRP HD1 A 5 TRP H 1.0 . 3.29 58 51 A 4 ASP HA A 5 TRP H 1.0 . 2.53 59 52 A 5 TRP H A 4 ASP HBy 1.0 . 3.25 60 53 A 5 TRP HBx A 5 TRP H 1.0 . 3.89 61 54 A 6 LEU HA A 6 LEU HD2% 1.0 . 4.67 62 55 A 5 TRP HBy A 6 LEU H 1.0 . 3.15 63 56 A 6 LEU H A 6 LEU HB2 1.0 . 3.49 64 56 A 6 LEU HB3 A 6 LEU H 1.0 . 3.49 65 57 A 5 TRP HBx A 6 LEU H 1.0 . 3.65 66 58 A 5 TRP HA A 6 LEU H 1.0 . 2.41 67 59 A 6 LEU H A 6 LEU HG 1.0 . 4.03 68 60 A 29 PHE HA A 30 ASP H 1.0 . 3.04 69 61 A 30 ASP H A 30 ASP HB2 1.0 . 3.64 70 61 A 30 ASP H A 30 ASP HB3 1.0 . 3.64 71 62 A 21 CYS HA A 5 TRP HZ2 1.0 . 4.52 72 63 A 5 TRP HZ2 A 18 ARG HBx 1.0 . 3.63 73 64 A 20 LYS HA A 5 TRP HZ2 1.0 . 5.27 74 65 A 21 CYS H A 5 TRP HZ2 1.0 . 4.58 75 66 A 5 TRP HZ2 A 18 ARG HBy 1.0 . 3.63 76 67 A 23 ARG H A 23 ARG HGx 1.0 . 4.69 77 68 A 23 ARG H A 23 ARG HBy 1.0 . 3.48 78 69 A 23 ARG H A 22 PHE HBx 1.0 . 3.87 79 70 A 23 ARG H A 23 ARG HGy 1.0 . 4.69 80 71 A 23 ARG H A 24 CYS H 1.0 . 2.87 81 72 A 23 ARG H A 23 ARG HBx 1.0 . 3.48 82 73 A 23 ARG H A 22 PHE HBy 1.0 . 4.76 83 74 A 23 ARG HBy A 23 ARG HDy 1.0 . 4.09 84 75 A 23 ARG HBx A 23 ARG HDy 1.0 . 4.09 85 76 A 22 PHE HA A 22 PHE HD% 1.0 . 5.10 86 77 A 1 LYS HE3 A 1 LYS HBy 1.0 . 6.38 87 77 A 1 LYS HBy A 1 LYS HE2 1.0 . 6.38 88 78 A 8 ASN HA A 8 ASN HBx 1.0 . 2.85 89 79 A 17 LYS HA A 17 LYS HG2 1.0 . 3.69 90 79 A 17 LYS HG3 A 17 LYS HA 1.0 . 3.69 91 80 A 7 CYS H A 11 CYS HA 1.0 . 4.00 92 81 A 7 CYS H A 7 CYS HBx 1.0 . 2.94 93 82 A 7 CYS H A 6 LEU HB2 1.0 . 4.53 94 82 A 6 LEU HB3 A 7 CYS H 1.0 . 4.53 95 83 A 6 LEU H A 7 CYS H 1.0 . 5.09 96 84 A 7 CYS H A 7 CYS HBy 1.0 . 2.94 97 85 A 6 LEU HG A 7 CYS H 1.0 . 4.71 98 86 A 18 ARG HA A 18 ARG HDy 1.0 . 4.16 99 87 A 6 LEU HA A 14 ASN H 1.0 . 3.81 100 88 A 5 TRP H A 14 ASN H 1.0 . 3.30 101 89 A 14 ASN H A 13 ASN HA 1.0 . 2.54 102 90 A 3 GLU H A 2 PHE H 1.0 . 3.56 103 91 A 1 LYS H A 2 PHE H 1.0 . 4.06 104 92 A 2 PHE H A 2 PHE HBx 1.0 . 3.68 105 93 A 2 PHE H A 2 PHE HBy 1.0 . 3.68 106 94 A 2 PHE H A 1 LYS HA 1.0 . 2.69 107 95 A 20 LYS HA A 28 LYS H 1.0 . 3.63 108 96 A 28 LYS H A 27 ASP HA 1.0 . 2.45 109 97 A 28 LYS H A 27 ASP H 1.0 . 4.93 110 98 A 28 LYS H A 28 LYS HB2 1.0 . 3.68 111 98 A 28 LYS H A 28 LYS HB3 1.0 . 3.68 112 99 A 20 LYS HB3 A 20 LYS HE2 1.0 . 7.26 113 99 A 20 LYS HB2 A 20 LYS HE2 1.0 . 7.26 114 99 A 20 LYS HE3 A 20 LYS HB2 1.0 . 7.26 115 99 A 20 LYS HB3 A 20 LYS HE3 1.0 . 7.26 116 100 A 20 LYS HB2 A 20 LYS HD2 1.0 . 4.16 117 100 A 20 LYS HB3 A 20 LYS HD2 1.0 . 4.16 118 100 A 20 LYS HD3 A 20 LYS HB2 1.0 . 4.16 119 100 A 20 LYS HB3 A 20 LYS HD3 1.0 . 4.16 120 101 A 9 LYS HB3 A 9 LYS HDy 1.0 . 3.61 121 101 A 9 LYS HDy A 9 LYS HB2 1.0 . 3.61 122 102 A 9 LYS HB2 A 9 LYS HDx 1.0 . 3.61 123 102 A 9 LYS HB3 A 9 LYS HDx 1.0 . 3.61 124 103 A 6 LEU HA A 6 LEU HD1% 1.0 . 4.67 125 104 A 13 ASN HA A 6 LEU HD1% 1.0 . 5.23 126 105 A 9 LYS HA A 9 LYS HDy 1.0 . 4.29 127 106 A 12 LEU HA A 12 LEU HD2% 1.0 . 5.44 128 107 A 12 LEU HA A 12 LEU HG 1.0 . 3.64 129 108 A 26 ALA H A 27 ASP H 1.0 . 4.61 130 109 A 27 ASP H A 27 ASP HBx 1.0 . 3.04 131 110 A 26 ALA HB% A 27 ASP H 1.0 . 3.94 132 111 A 27 ASP HA A 27 ASP H 1.0 . 2.92 133 112 A 27 ASP H A 27 ASP HBy 1.0 . 3.04 134 113 A 27 ASP H A 26 ALA HA 1.0 . 2.40 135 114 A 24 CYS H A 23 ARG HBy 1.0 . 3.83 136 115 A 25 GLY H A 24 CYS H 1.0 . 2.82 137 116 A 24 CYS H A 24 CYS HBx 1.0 . 3.89 138 117 A 24 CYS H A 23 ARG HBx 1.0 . 3.83 139 118 A 24 CYS H A 24 CYS HBy 1.0 . 3.89 140 119 A 17 LYS HA A 17 LYS HD2 1.0 . 4.11 141 119 A 17 LYS HA A 17 LYS HD3 1.0 . 4.11 142 120 A 29 PHE H A 29 PHE HBy 1.0 . 3.32 143 121 A 28 LYS HA A 29 PHE H 1.0 . 3.38 144 122 A 30 ASP H A 29 PHE H 1.0 . 3.21 145 123 A 29 PHE H A 28 LYS HGy 1.0 . 4.81 146 124 A 28 LYS H A 29 PHE H 1.0 . 3.82 147 125 A 29 PHE H A 29 PHE HBx 1.0 . 3.32 148 126 A 29 PHE H A 28 LYS HGx 1.0 . 4.81 149 127 A 29 PHE H A 28 LYS HB2 1.0 . 5.13 150 127 A 28 LYS HB3 A 29 PHE H 1.0 . 5.13 151 128 A 7 CYS HA A 5 TRP HZ3 1.0 . 2.72 152 129 A 8 ASN H A 5 TRP HZ3 1.0 . 4.30 153 130 A 5 TRP HZ3 A 7 CYS HBx 1.0 . 3.84 154 131 A 18 ARG HA A 19 LEU H 1.0 . 2.52 155 132 A 19 LEU H A 19 LEU HG 1.0 . 4.24 156 133 A 19 LEU H A 19 LEU HB2 1.0 . 3.52 157 133 A 19 LEU H A 19 LEU HB3 1.0 . 3.52 158 134 A 19 LEU H A 20 LYS H 1.0 . 2.66 159 135 A 4 ASP H A 3 GLU HG2 1.0 . 3.91 160 135 A 3 GLU HG3 A 4 ASP H 1.0 . 3.91 161 136 A 3 GLU HA A 4 ASP H 1.0 . 2.52 162 137 A 4 ASP H A 3 GLU HB2 1.0 . 4.46 163 137 A 4 ASP H A 3 GLU HB3 1.0 . 4.46 164 138 A 1 LYS HA A 1 LYS HD2 1.0 . 4.47 165 138 A 1 LYS HA A 1 LYS HD3 1.0 . 4.47 166 139 A 29 PHE HA A 29 PHE HD% 1.0 . 5.03 167 140 A 29 PHE H A 29 PHE HD% 1.0 . 6.00 168 141 A 29 PHE HA A 29 PHE HBx 1.0 . 2.85 169 142 A 8 ASN HA A 8 ASN HBy 1.0 . 2.85 170 143 A 17 LYS HA A 17 LYS HBx 1.0 . 2.99 171 144 A 11 CYS H A 11 CYS HA 1.0 . 2.86 172 145 A 18 ARG HA A 18 ARG HG2 1.0 . 3.92 173 145 A 18 ARG HA A 18 ARG HG3 1.0 . 3.92 174 146 A 5 TRP HBx A 5 TRP HA 1.0 . 2.66 175 147 A 22 PHE HBy A 22 PHE HA 1.0 . 2.69 176 148 A 17 LYS H A 17 LYS HG2 1.0 . 5.60 177 148 A 17 LYS HG3 A 17 LYS H 1.0 . 5.60 178 149 A 23 ARG HE A 23 ARG HGx 1.0 . 3.59 179 150 A 23 ARG HE A 12 LEU HD2% 1.0 . 6.13 180 151 A 12 LEU HG A 23 ARG HE 1.0 . 4.56 181 152 A 23 ARG HE A 23 ARG HGy 1.0 . 3.59 182 153 A 23 ARG HDx A 23 ARG HBy 1.0 . 4.09 183 154 A 23 ARG HDx A 23 ARG HBx 1.0 . 4.09 184 155 A 21 CYS HA A 22 PHE H 1.0 . 2.63 185 156 A 22 PHE HBx A 22 PHE H 1.0 . 3.03 186 157 A 23 ARG H A 22 PHE H 1.0 . 3.46 187 158 A 22 PHE HD% A 22 PHE H 1.0 . 6.83 188 159 A 22 PHE H A 18 ARG HE 1.0 . 5.50 189 160 A 22 PHE HBy A 22 PHE H 1.0 . 3.01 190 161 A 18 ARG H A 18 ARG HBx 1.0 . 3.12 191 162 A 17 LYS HA A 18 ARG H 1.0 . 3.53 192 163 A 18 ARG H A 18 ARG HBy 1.0 . 3.12 193 164 A 19 LEU H A 18 ARG H 1.0 . 5.50 194 165 A 18 ARG H A 5 TRP HE1 1.0 . 4.23 195 166 A 18 ARG H A 18 ARG HG2 1.0 . 4.25 196 166 A 18 ARG HG3 A 18 ARG H 1.0 . 4.25 197 167 A 17 LYS H A 18 ARG H 1.0 . 3.26 198 168 A 16 ARG H A 16 ARG HBy 1.0 . 3.28 199 169 A 15 PHE HD% A 16 ARG H 1.0 . 5.43 200 170 A 4 ASP HA A 16 ARG H 1.0 . 3.07 201 171 A 16 ARG H A 16 ARG HBx 1.0 . 3.28 202 172 A 17 LYS H A 16 ARG H 1.0 . 5.50 203 173 A 15 PHE HA A 16 ARG H 1.0 . 2.42 204 174 A 16 ARG H A 16 ARG HD2 1.0 . 5.02 205 174 A 16 ARG H A 16 ARG HD3 1.0 . 5.02 206 175 A 21 CYS H A 21 CYS HBy 1.0 . 3.06 207 176 A 16 ARG HD3 A 16 ARG HBy 1.0 . 3.94 208 176 A 16 ARG HBy A 16 ARG HD2 1.0 . 3.94 209 177 A 16 ARG HD3 A 16 ARG HBx 1.0 . 3.94 210 177 A 16 ARG HBx A 16 ARG HD2 1.0 . 3.94 211 178 A 18 ARG HA A 20 LYS H 1.0 . 5.50 212 179 A 20 LYS H A 20 LYS HG2 1.0 . 4.61 213 179 A 20 LYS H A 20 LYS HG3 1.0 . 4.61 214 180 A 20 LYS H A 20 LYS HB2 1.0 . 3.68 215 180 A 20 LYS HB3 A 20 LYS H 1.0 . 3.68 216 181 A 12 LEU HG A 13 ASN H 1.0 . 4.39 217 182 A 13 ASN H A 13 ASN HBx 1.0 . 3.09 218 183 A 12 LEU HA A 13 ASN H 1.0 . 2.51 219 184 A 13 ASN H A 12 LEU HB2 1.0 . 3.89 220 184 A 13 ASN H A 12 LEU HB3 1.0 . 3.89 221 185 A 13 ASN H A 13 ASN HBy 1.0 . 3.09 222 186 A 6 LEU HA A 6 LEU HG 1.0 . 3.59 223 187 A 9 LYS HA A 9 LYS HDx 1.0 . 4.29 224 188 A 5 TRP HE3 A 7 CYS HA 1.0 . 3.24 225 189 A 21 CYS H A 20 LYS HB2 1.0 . 4.50 226 189 A 21 CYS H A 20 LYS HB3 1.0 . 4.50 227 190 A 21 CYS H A 21 CYS HBx 1.0 . 3.06 228 191 A 5 TRP HZ3 A 7 CYS HBy 1.0 . 3.84 229 192 A 5 TRP H A 4 ASP H 1.0 . 4.52 230 193 A 5 TRP H A 4 ASP HBx 1.0 . 3.25 231 194 A 4 ASP HA A 16 ARG HA 1.0 . 3.07 232 195 A 13 ASN HA A 6 LEU HD2% 1.0 . 5.23 233 196 A 7 CYS H A 13 ASN HA 1.0 . 3.74 234 197 A 23 ARG HE A 12 LEU HD1% 1.0 . 6.13 235 198 A 12 LEU HA A 12 LEU HD1% 1.0 . 5.44 236 199 A 23 ARG HGy A 12 LEU HD1% 1.0 . 5.63 237 200 A 12 LEU HD2% A 23 ARG HGy 1.0 . 5.63 238 201 A 6 LEU HA A 13 ASN HA 1.0 . 3.07 239 202 A 20 LYS HA A 27 ASP HA 1.0 . 3.07 240 203 A 5 TRP HZ2 A 19 LEU HA 1.0 . 4.92 241 204 A 15 PHE HD% A 17 LYS HE2 1.0 . 7.26 242 204 A 15 PHE HD% A 17 LYS HE3 1.0 . 7.26 243 205 A 5 TRP HD1 A 16 ARG H 1.0 . 4.64 244 206 A 15 PHE HD% A 18 ARG H 1.0 . 7.39 245 207 A 20 LYS H A 19 LEU HB2 1.0 . 4.55 246 207 A 19 LEU HB3 A 20 LYS H 1.0 . 4.55 247 208 A 15 PHE HE% A 17 LYS HG2 1.0 . 8.30 248 208 A 17 LYS HG3 A 15 PHE HE% 1.0 . 8.30 249 209 A 15 PHE HD% A 17 LYS HD2 1.0 . 6.37 250 209 A 15 PHE HD% A 17 LYS HD3 1.0 . 6.37 251 210 A 15 PHE HE% A 17 LYS HD2 1.0 . 8.52 252 210 A 17 LYS HD3 A 15 PHE HE% 1.0 . 8.52 253 211 A 3 GLU H A 4 ASP H 1.0 . 2.77 254 212 A 1 LYS H A 1 LYS HGy 1.0 . 3.95 255 212 A 1 LYS H A 1 LYS HGx 1.0 . 3.95 256 213 A 1 LYS HA A 1 LYS HBx 1.0 . 2.62 257 213 A 1 LYS HA A 1 LYS HBy 1.0 . 2.62 258 214 A 2 PHE H A 1 LYS HBx 1.0 . 3.84 259 214 A 2 PHE H A 1 LYS HBy 1.0 . 3.84 260 215 A 4 ASP H A 1 LYS HBx 1.0 . 4.97 261 215 A 4 ASP H A 1 LYS HBy 1.0 . 4.97 262 216 A 2 PHE H A 2 PHE HBx 1.0 . 3.03 263 216 A 2 PHE H A 2 PHE HBy 1.0 . 3.03 264 217 A 4 ASP H A 4 ASP HBx 1.0 . 2.84 265 217 A 4 ASP H A 4 ASP HBy 1.0 . 2.84 266 218 A 4 ASP H A 16 ARG HBx 1.0 . 4.09 267 218 A 4 ASP H A 16 ARG HBy 1.0 . 4.09 268 219 A 5 TRP H A 4 ASP HBx 1.0 . 2.75 269 219 A 5 TRP H A 4 ASP HBy 1.0 . 2.75 270 220 A 4 ASP HBx A 13 ASN HD22 1.0 . 4.29 271 220 A 4 ASP HBy A 13 ASN HD22 1.0 . 4.29 272 220 A 13 ASN HD21 A 4 ASP HBx 1.0 . 4.29 273 220 A 4 ASP HBy A 13 ASN HD21 1.0 . 4.29 274 221 A 5 TRP H A 13 ASN HBx 1.0 . 4.80 275 221 A 5 TRP H A 13 ASN HBy 1.0 . 4.80 276 222 A 5 TRP H A 14 ASN HBy 1.0 . 4.83 277 222 A 5 TRP H A 14 ASN HBx 1.0 . 4.83 278 223 A 5 TRP HBy A 28 LYS HEy 1.0 . 4.73 279 223 A 5 TRP HBy A 28 LYS HEx 1.0 . 4.73 280 224 A 5 TRP HBx A 28 LYS HEy 1.0 . 3.84 281 224 A 5 TRP HBx A 28 LYS HEx 1.0 . 3.84 282 225 A 5 TRP HD1 A 16 ARG HBx 1.0 . 5.34 283 225 A 5 TRP HD1 A 16 ARG HBy 1.0 . 5.34 284 226 A 5 TRP HD1 A 28 LYS HEy 1.0 . 3.55 285 226 A 5 TRP HD1 A 28 LYS HEx 1.0 . 3.55 286 227 A 5 TRP HE3 A 28 LYS HGx 1.0 . 5.34 287 227 A 5 TRP HE3 A 28 LYS HGy 1.0 . 5.34 288 228 A 5 TRP HE3 A 28 LYS HEy 1.0 . 4.19 289 228 A 5 TRP HE3 A 28 LYS HEx 1.0 . 4.19 290 229 A 5 TRP HE1 A 18 ARG HBx 1.0 . 4.04 291 229 A 5 TRP HE1 A 18 ARG HBy 1.0 . 4.04 292 230 A 5 TRP HZ3 A 7 CYS HBx 1.0 . 3.04 293 230 A 5 TRP HZ3 A 7 CYS HBy 1.0 . 3.04 294 231 A 5 TRP HZ2 A 14 ASN HBy 1.0 . 4.57 295 231 A 5 TRP HZ2 A 14 ASN HBx 1.0 . 4.57 296 232 A 5 TRP HZ2 A 28 LYS HGx 1.0 . 3.94 297 232 A 5 TRP HZ2 A 28 LYS HGy 1.0 . 3.94 298 233 A 5 TRP HH2 A 7 CYS HBx 1.0 . 3.62 299 233 A 5 TRP HH2 A 7 CYS HBy 1.0 . 3.62 300 234 A 5 TRP HH2 A 14 ASN HBy 1.0 . 3.29 301 234 A 5 TRP HH2 A 14 ASN HBx 1.0 . 3.29 302 235 A 5 TRP HH2 A 21 CYS HBx 1.0 . 3.07 303 235 A 5 TRP HH2 A 21 CYS HBy 1.0 . 3.07 304 236 A 6 LEU H A 6 LEU HD1% 1.0 . 6.28 305 236 A 6 LEU H A 6 LEU HD2% 1.0 . 6.28 306 237 A 6 LEU HA A 6 LEU HD1% 1.0 . 4.04 307 237 A 6 LEU HA A 6 LEU HD2% 1.0 . 4.04 308 238 A 7 CYS H A 6 LEU HD1% 1.0 . 4.68 309 238 A 7 CYS H A 6 LEU HD2% 1.0 . 4.68 310 239 A 12 LEU HA A 6 LEU HD1% 1.0 . 4.90 311 239 A 12 LEU HA A 6 LEU HD2% 1.0 . 4.90 312 240 A 13 ASN HA A 6 LEU HD1% 1.0 . 4.47 313 240 A 13 ASN HA A 6 LEU HD2% 1.0 . 4.47 314 241 A 6 LEU HD2% A 13 ASN HD22 1.0 . 5.94 315 241 A 6 LEU HD1% A 13 ASN HD22 1.0 . 5.94 316 241 A 13 ASN HD21 A 6 LEU HD1% 1.0 . 5.94 317 241 A 13 ASN HD21 A 6 LEU HD2% 1.0 . 5.94 318 242 A 7 CYS H A 7 CYS HBx 1.0 . 2.57 319 242 A 7 CYS H A 7 CYS HBy 1.0 . 2.57 320 243 A 10 CYS H A 7 CYS HBx 1.0 . 3.96 321 243 A 10 CYS H A 7 CYS HBy 1.0 . 3.96 322 244 A 11 CYS H A 7 CYS HBx 1.0 . 4.18 323 244 A 11 CYS H A 7 CYS HBy 1.0 . 4.18 324 245 A 8 ASN H A 8 ASN HBx 1.0 . 3.02 325 245 A 8 ASN H A 8 ASN HBy 1.0 . 3.02 326 246 A 8 ASN HA A 8 ASN HBx 1.0 . 2.43 327 246 A 8 ASN HA A 8 ASN HBy 1.0 . 2.43 328 247 A 8 ASN HBx A 8 ASN HD22 1.0 . 3.06 329 247 A 8 ASN HBy A 8 ASN HD22 1.0 . 3.06 330 247 A 8 ASN HD21 A 8 ASN HBx 1.0 . 3.06 331 247 A 8 ASN HBy A 8 ASN HD21 1.0 . 3.06 332 248 A 9 LYS HA A 9 LYS HDx 1.0 . 3.47 333 248 A 9 LYS HA A 9 LYS HDy 1.0 . 3.47 334 249 A 10 CYS H A 10 CYS HBy 1.0 . 3.66 335 249 A 10 CYS H A 10 CYS HBx 1.0 . 3.66 336 250 A 10 CYS HBx A 23 ARG HDy 1.0 . 3.77 337 250 A 10 CYS HBy A 23 ARG HDy 1.0 . 3.77 338 250 A 23 ARG HDx A 10 CYS HBy 1.0 . 3.77 339 250 A 10 CYS HBx A 23 ARG HDx 1.0 . 3.77 340 251 A 23 ARG HE A 10 CYS HBy 1.0 . 4.12 341 251 A 23 ARG HE A 10 CYS HBx 1.0 . 4.12 342 252 A 12 LEU HA A 12 LEU HD1% 1.0 . 3.95 343 252 A 12 LEU HA A 12 LEU HD2% 1.0 . 3.95 344 253 A 13 ASN H A 12 LEU HD1% 1.0 . 4.23 345 253 A 13 ASN H A 12 LEU HD2% 1.0 . 4.23 346 254 A 22 PHE H A 12 LEU HD1% 1.0 . 4.87 347 254 A 22 PHE H A 12 LEU HD2% 1.0 . 4.87 348 255 A 22 PHE HBy A 12 LEU HD1% 1.0 . 4.51 349 255 A 22 PHE HBy A 12 LEU HD2% 1.0 . 4.51 350 256 A 22 PHE HBx A 12 LEU HD1% 1.0 . 3.79 351 256 A 22 PHE HBx A 12 LEU HD2% 1.0 . 3.79 352 257 A 22 PHE HD% A 12 LEU HD1% 1.0 . 6.28 353 257 A 22 PHE HD% A 12 LEU HD2% 1.0 . 6.28 354 258 A 23 ARG H A 12 LEU HD1% 1.0 . 4.00 355 258 A 23 ARG H A 12 LEU HD2% 1.0 . 4.00 356 259 A 12 LEU HD1% A 23 ARG HBx 1.0 . 4.23 357 259 A 23 ARG HBy A 12 LEU HD1% 1.0 . 4.23 358 259 A 12 LEU HD2% A 23 ARG HBy 1.0 . 4.23 359 259 A 12 LEU HD2% A 23 ARG HBx 1.0 . 4.23 360 260 A 12 LEU HD2% A 23 ARG HGx 1.0 . 3.31 361 260 A 12 LEU HD1% A 23 ARG HGx 1.0 . 3.31 362 260 A 23 ARG HGy A 12 LEU HD1% 1.0 . 3.31 363 260 A 12 LEU HD2% A 23 ARG HGy 1.0 . 3.31 364 261 A 12 LEU HD1% A 23 ARG HGx 1.0 . 5.63 365 262 A 12 LEU HD2% A 23 ARG HGx 1.0 . 5.63 366 263 A 12 LEU HD1% A 23 ARG HDy 1.0 . 5.01 367 263 A 12 LEU HD2% A 23 ARG HDy 1.0 . 5.01 368 263 A 23 ARG HDx A 12 LEU HD1% 1.0 . 5.01 369 263 A 23 ARG HDx A 12 LEU HD2% 1.0 . 5.01 370 264 A 24 CYS H A 12 LEU HD1% 1.0 . 6.42 371 264 A 24 CYS H A 12 LEU HD2% 1.0 . 6.42 372 265 A 13 ASN H A 13 ASN HBx 1.0 . 2.65 373 265 A 13 ASN H A 13 ASN HBy 1.0 . 2.65 374 266 A 13 ASN HBx A 13 ASN HD22 1.0 . 2.89 375 266 A 13 ASN HD21 A 13 ASN HBx 1.0 . 2.89 376 266 A 13 ASN HD21 A 13 ASN HBy 1.0 . 2.89 377 266 A 13 ASN HBy A 13 ASN HD22 1.0 . 2.89 378 267 A 14 ASN H A 13 ASN HBx 1.0 . 4.06 379 267 A 14 ASN H A 13 ASN HBy 1.0 . 4.06 380 268 A 14 ASN H A 14 ASN HBy 1.0 . 3.08 381 268 A 14 ASN H A 14 ASN HBx 1.0 . 3.08 382 269 A 14 ASN HBy A 18 ARG HBx 1.0 . 4.18 383 269 A 18 ARG HBy A 14 ASN HBy 1.0 . 4.18 384 269 A 14 ASN HBx A 18 ARG HBy 1.0 . 4.18 385 269 A 14 ASN HBx A 18 ARG HBx 1.0 . 4.18 386 270 A 15 PHE H A 15 PHE HBx 1.0 . 2.85 387 270 A 15 PHE H A 15 PHE HBy 1.0 . 2.85 388 271 A 16 ARG H A 15 PHE HBx 1.0 . 4.37 389 271 A 16 ARG H A 15 PHE HBy 1.0 . 4.37 390 272 A 15 PHE HBx A 17 LYS HBx 1.0 . 3.19 391 272 A 15 PHE HBy A 17 LYS HBx 1.0 . 3.19 392 272 A 17 LYS HBy A 15 PHE HBx 1.0 . 3.19 393 272 A 15 PHE HBy A 17 LYS HBy 1.0 . 3.19 394 273 A 15 PHE HD% A 16 ARG HGy 1.0 . 5.58 395 273 A 15 PHE HD% A 16 ARG HGx 1.0 . 5.58 396 274 A 15 PHE HD% A 17 LYS HBx 1.0 . 4.38 397 274 A 15 PHE HD% A 17 LYS HBy 1.0 . 4.38 398 275 A 16 ARG H A 16 ARG HBx 1.0 . 2.69 399 275 A 16 ARG H A 16 ARG HBy 1.0 . 2.69 400 276 A 16 ARG H A 16 ARG HGy 1.0 . 3.15 401 276 A 16 ARG H A 16 ARG HGx 1.0 . 3.15 402 277 A 16 ARG HBy A 16 ARG HGy 1.0 . 2.21 403 277 A 16 ARG HBx A 16 ARG HGy 1.0 . 2.21 404 277 A 16 ARG HGx A 16 ARG HBx 1.0 . 2.21 405 277 A 16 ARG HBy A 16 ARG HGx 1.0 . 2.21 406 278 A 16 ARG HBx A 16 ARG HD2 1.0 . 3.45 407 278 A 16 ARG HBy A 16 ARG HD2 1.0 . 3.45 408 278 A 16 ARG HD3 A 16 ARG HBx 1.0 . 3.45 409 278 A 16 ARG HD3 A 16 ARG HBy 1.0 . 3.45 410 279 A 16 ARG HE A 16 ARG HBx 1.0 . 5.34 411 279 A 16 ARG HBy A 16 ARG HE 1.0 . 5.34 412 280 A 17 LYS HA A 17 LYS HBx 1.0 . 2.61 413 280 A 17 LYS HA A 17 LYS HBy 1.0 . 2.61 414 281 A 17 LYS HBx A 17 LYS HD2 1.0 . 3.25 415 281 A 17 LYS HBy A 17 LYS HD2 1.0 . 3.25 416 281 A 17 LYS HD3 A 17 LYS HBx 1.0 . 3.25 417 281 A 17 LYS HD3 A 17 LYS HBy 1.0 . 3.25 418 282 A 17 LYS HBx A 17 LYS HE2 1.0 . 4.72 419 282 A 17 LYS HE3 A 17 LYS HBx 1.0 . 4.72 420 282 A 17 LYS HE3 A 17 LYS HBy 1.0 . 4.72 421 282 A 17 LYS HBy A 17 LYS HE2 1.0 . 4.72 422 283 A 18 ARG H A 17 LYS HBx 1.0 . 3.29 423 283 A 18 ARG H A 17 LYS HBy 1.0 . 3.29 424 284 A 18 ARG HA A 18 ARG HDy 1.0 . 3.65 425 284 A 18 ARG HA A 18 ARG HDx 1.0 . 3.65 426 285 A 18 ARG HBx A 18 ARG HDy 1.0 . 3.27 427 285 A 18 ARG HBy A 18 ARG HDy 1.0 . 3.27 428 285 A 18 ARG HDx A 18 ARG HBx 1.0 . 3.27 429 285 A 18 ARG HBy A 18 ARG HDx 1.0 . 3.27 430 286 A 18 ARG HE A 18 ARG HBx 1.0 . 5.34 431 286 A 18 ARG HE A 18 ARG HBy 1.0 . 5.34 432 287 A 19 LEU H A 18 ARG HBx 1.0 . 4.23 433 287 A 19 LEU H A 18 ARG HBy 1.0 . 4.23 434 288 A 20 LYS H A 18 ARG HBx 1.0 . 3.52 435 288 A 20 LYS H A 18 ARG HBy 1.0 . 3.52 436 289 A 22 PHE H A 18 ARG HDy 1.0 . 4.65 437 289 A 22 PHE H A 18 ARG HDx 1.0 . 4.65 438 290 A 19 LEU HA A 19 LEU HD1% 1.0 . 3.70 439 290 A 19 LEU HA A 19 LEU HD2% 1.0 . 3.70 440 291 A 21 CYS H A 21 CYS HBx 1.0 . 2.62 441 291 A 21 CYS H A 21 CYS HBy 1.0 . 2.62 442 292 A 25 GLY H A 21 CYS HBx 1.0 . 2.90 443 292 A 25 GLY H A 21 CYS HBy 1.0 . 2.90 444 293 A 26 ALA H A 21 CYS HBx 1.0 . 2.91 445 293 A 26 ALA H A 21 CYS HBy 1.0 . 2.91 446 294 A 23 ARG H A 23 ARG HBx 1.0 . 2.77 447 294 A 23 ARG H A 23 ARG HBy 1.0 . 2.77 448 295 A 23 ARG H A 23 ARG HGx 1.0 . 3.87 449 295 A 23 ARG H A 23 ARG HGy 1.0 . 3.87 450 296 A 23 ARG HA A 23 ARG HDy 1.0 . 4.11 451 296 A 23 ARG HDx A 23 ARG HA 1.0 . 4.11 452 297 A 23 ARG HBx A 23 ARG HGx 1.0 . 2.32 453 297 A 23 ARG HBy A 23 ARG HGx 1.0 . 2.32 454 297 A 23 ARG HGy A 23 ARG HBx 1.0 . 2.32 455 297 A 23 ARG HBy A 23 ARG HGy 1.0 . 2.32 456 298 A 23 ARG HBy A 23 ARG HDy 1.0 . 2.76 457 298 A 23 ARG HBx A 23 ARG HDy 1.0 . 2.76 458 298 A 23 ARG HDx A 23 ARG HBx 1.0 . 2.76 459 298 A 23 ARG HDx A 23 ARG HBy 1.0 . 2.76 460 299 A 23 ARG HE A 23 ARG HBx 1.0 . 3.17 461 299 A 23 ARG HE A 23 ARG HBy 1.0 . 3.17 462 300 A 24 CYS H A 23 ARG HBx 1.0 . 3.01 463 300 A 24 CYS H A 23 ARG HBy 1.0 . 3.01 464 301 A 23 ARG HDx A 23 ARG HGx 1.0 . 2.34 465 301 A 23 ARG HDy A 23 ARG HGx 1.0 . 2.34 466 301 A 23 ARG HGy A 23 ARG HDy 1.0 . 2.34 467 301 A 23 ARG HDx A 23 ARG HGy 1.0 . 2.34 468 302 A 23 ARG HE A 23 ARG HGx 1.0 . 2.94 469 302 A 23 ARG HE A 23 ARG HGy 1.0 . 2.94 470 303 A 24 CYS H A 23 ARG HGx 1.0 . 3.62 471 303 A 24 CYS H A 23 ARG HGy 1.0 . 3.62 472 304 A 24 CYS H A 24 CYS HBx 1.0 . 3.20 473 304 A 24 CYS H A 24 CYS HBy 1.0 . 3.20 474 305 A 25 GLY H A 25 GLY HAy 1.0 . 2.44 475 305 A 25 GLY H A 25 GLY HAx 1.0 . 2.44 476 306 A 26 ALA HB% A 25 GLY HAy 1.0 . 4.19 477 306 A 26 ALA HB% A 25 GLY HAx 1.0 . 4.19 478 307 A 27 ASP H A 27 ASP HBx 1.0 . 2.48 479 307 A 27 ASP H A 27 ASP HBy 1.0 . 2.48 480 308 A 28 LYS H A 27 ASP HBx 1.0 . 3.75 481 308 A 28 LYS H A 27 ASP HBy 1.0 . 3.75 482 309 A 29 PHE H A 27 ASP HBx 1.0 . 3.90 483 309 A 29 PHE H A 27 ASP HBy 1.0 . 3.90 484 310 A 28 LYS H A 28 LYS HGx 1.0 . 2.72 485 310 A 28 LYS H A 28 LYS HGy 1.0 . 2.72 486 311 A 28 LYS HA A 28 LYS HGx 1.0 . 3.56 487 311 A 28 LYS HA A 28 LYS HGy 1.0 . 3.56 488 312 A 28 LYS HA A 28 LYS HDy 1.0 . 5.34 489 312 A 28 LYS HA A 28 LYS HDx 1.0 . 5.34 490 313 A 28 LYS HB2 A 28 LYS HEy 1.0 . 6.16 491 313 A 28 LYS HB3 A 28 LYS HEy 1.0 . 6.16 492 313 A 28 LYS HEx A 28 LYS HB2 1.0 . 6.16 493 313 A 28 LYS HB3 A 28 LYS HEx 1.0 . 6.16 494 314 A 28 LYS HEy A 28 LYS HGx 1.0 . 2.90 495 314 A 28 LYS HEx A 28 LYS HGx 1.0 . 2.90 496 314 A 28 LYS HGy A 28 LYS HEy 1.0 . 2.90 497 314 A 28 LYS HEx A 28 LYS HGy 1.0 . 2.90 498 315 A 29 PHE H A 28 LYS HGx 1.0 . 3.99 499 315 A 29 PHE H A 28 LYS HGy 1.0 . 3.99 500 316 A 28 LYS HDy A 28 LYS HEy 1.0 . 2.18 501 316 A 28 LYS HDx A 28 LYS HEy 1.0 . 2.18 502 316 A 28 LYS HEx A 28 LYS HDy 1.0 . 2.18 503 316 A 28 LYS HEx A 28 LYS HDx 1.0 . 2.18 504 317 A 29 PHE H A 28 LYS HDy 1.0 . 4.04 505 317 A 29 PHE H A 28 LYS HDx 1.0 . 4.04 506 318 A 29 PHE H A 29 PHE HBx 1.0 . 2.81 507 318 A 29 PHE H A 29 PHE HBy 1.0 . 2.81 508 319 A 30 ASP H A 29 PHE HBx 1.0 . 4.09 509 319 A 30 ASP H A 29 PHE HBy 1.0 . 4.09 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 LYS C A 2 PHE N A 2 PHE CA A 2 PHE C 1.0 45.0 285.0 PHI 2 2 A 1 LYS C A 2 PHE N A 2 PHE CA A 2 PHE C 1.0 -185.0 75.0 PHI 3 3 A 2 PHE N A 2 PHE CA A 2 PHE CB A 2 PHE CG 1.0 -325.0 -25.0 CHI1 4 4 A 2 PHE N A 2 PHE CA A 2 PHE CB A 2 PHE CG 1.0 -205.0 75.0 CHI1 5 5 A 2 PHE N A 2 PHE CA A 2 PHE C A 3 GLU N 1.0 25.0 115.0 PSI 6 6 A 2 PHE C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 45.0 235.0 PHI 7 7 A 2 PHE C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -185.0 75.0 PHI 8 8 A 3 GLU N A 3 GLU CA A 3 GLU CB A 3 GLU CG 1.0 -335.0 -25.0 CHI1 9 9 A 3 GLU N A 3 GLU CA A 3 GLU CB A 3 GLU CG 1.0 -185.0 65.0 CHI1 10 10 A 3 GLU N A 3 GLU CA A 3 GLU CB A 3 GLU CG 1.0 -115.0 235.0 CHI1 11 11 A 3 GLU N A 3 GLU CA A 3 GLU C A 4 ASP N 1.0 45.0 75.0 PSI 12 12 A 3 GLU C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -165.0 -45.0 PHI 13 13 A 4 ASP N A 4 ASP CA A 4 ASP CB A 4 ASP CG 1.0 -325.0 -15.0 CHI1 14 14 A 4 ASP N A 4 ASP CA A 4 ASP CB A 4 ASP CG 1.0 -75.0 45.0 CHI1 15 15 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 TRP N 1.0 145.0 195.0 PSI 16 16 A 4 ASP C A 5 TRP N A 5 TRP CA A 5 TRP C 1.0 -185.0 -45.0 PHI 17 17 A 5 TRP N A 5 TRP CA A 5 TRP CB A 5 TRP CG 1.0 25.0 85.0 CHI1 18 18 A 5 TRP N A 5 TRP CA A 5 TRP C A 6 LEU N 1.0 135.0 185.0 PSI 19 19 A 5 TRP C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 45.0 315.0 PHI 20 20 A 5 TRP C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -185.0 75.0 PHI 21 21 A 6 LEU N A 6 LEU CA A 6 LEU CB A 6 LEU CG 1.0 -225.0 105.0 CHI1 22 22 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 CYS N 1.0 -85.0 205.0 PSI 23 23 A 6 LEU C A 7 CYS N A 7 CYS CA A 7 CYS C 1.0 -145.0 -45.0 PHI 24 24 A 7 CYS N A 7 CYS CA A 7 CYS CB A 7 CYS SG 1.0 -205.0 -125.0 CHI1 25 25 A 7 CYS N A 7 CYS CA A 7 CYS C A 8 ASN N 1.0 35.0 195.0 PSI 26 26 A 7 CYS C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 45.0 315.0 PHI 27 27 A 7 CYS C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -185.0 65.0 PHI 28 28 A 8 ASN N A 8 ASN CA A 8 ASN CB A 8 ASN CG 1.0 15.0 275.0 CHI1 29 29 A 8 ASN N A 8 ASN CA A 8 ASN CB A 8 ASN CG 1.0 -225.0 105.0 CHI1 30 30 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 LYS N 1.0 -85.0 95.0 PSI 31 31 A 8 ASN C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 45.0 315.0 PHI 32 32 A 8 ASN C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -185.0 75.0 PHI 33 33 A 9 LYS N A 9 LYS CA A 9 LYS CB A 9 LYS CG 1.0 -335.0 -25.0 CHI1 34 34 A 9 LYS N A 9 LYS CA A 9 LYS CB A 9 LYS CG 1.0 -205.0 95.0 CHI1 35 35 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 CYS N 1.0 -85.0 95.0 PSI 36 36 A 9 LYS C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 45.0 315.0 PHI 37 37 A 9 LYS C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -185.0 75.0 PHI 38 38 A 10 CYS N A 10 CYS CA A 10 CYS CB A 10 CYS SG 1.0 -335.0 -25.0 CHI1 39 39 A 10 CYS N A 10 CYS CA A 10 CYS CB A 10 CYS SG 1.0 -205.0 85.0 CHI1 40 40 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 CYS N 1.0 -85.0 85.0 PSI 41 41 A 10 CYS C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 45.0 315.0 PHI 42 42 A 10 CYS C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -185.0 75.0 PHI 43 43 A 11 CYS N A 11 CYS CA A 11 CYS CB A 11 CYS SG 1.0 25.0 325.0 CHI1 44 44 A 11 CYS N A 11 CYS CA A 11 CYS CB A 11 CYS SG 1.0 -205.0 85.0 CHI1 45 45 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 LEU N 1.0 -85.0 195.0 PSI 46 46 A 11 CYS C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 45.0 315.0 PHI 47 47 A 11 CYS C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -185.0 75.0 PHI 48 48 A 12 LEU N A 12 LEU CA A 12 LEU CB A 12 LEU CG 1.0 -225.0 105.0 CHI1 49 49 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 ASN N 1.0 45.0 195.0 PSI 50 50 A 12 LEU C A 13 ASN N A 13 ASN CA A 13 ASN C 1.0 -155.0 -45.0 PHI 51 51 A 13 ASN N A 13 ASN CA A 13 ASN CB A 13 ASN CG 1.0 -225.0 -115.0 CHI1 52 52 A 13 ASN N A 13 ASN CA A 13 ASN C A 14 ASN N 1.0 45.0 195.0 PSI 53 53 A 13 ASN N A 13 ASN CA A 13 ASN C A 14 ASN N 1.0 -285.0 65.0 PSI 54 54 A 13 ASN C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 45.0 315.0 PHI 55 55 A 13 ASN C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 -185.0 75.0 PHI 56 56 A 14 ASN N A 14 ASN CA A 14 ASN CB A 14 ASN CG 1.0 -335.0 5.0 CHI1 57 57 A 14 ASN N A 14 ASN CA A 14 ASN CB A 14 ASN CG 1.0 -225.0 115.0 CHI1 58 58 A 14 ASN N A 14 ASN CA A 14 ASN C A 15 PHE N 1.0 35.0 195.0 PSI 59 59 A 14 ASN C A 15 PHE N A 15 PHE CA A 15 PHE C 1.0 45.0 315.0 PHI 60 60 A 14 ASN C A 15 PHE N A 15 PHE CA A 15 PHE C 1.0 -185.0 65.0 PHI 61 61 A 15 PHE N A 15 PHE CA A 15 PHE CB A 15 PHE CG 1.0 -315.0 -35.0 CHI1 62 62 A 15 PHE N A 15 PHE CA A 15 PHE CB A 15 PHE CG 1.0 -205.0 85.0 CHI1 63 63 A 15 PHE N A 15 PHE CA A 15 PHE C A 16 ARG N 1.0 55.0 185.0 PSI 64 64 A 15 PHE C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -165.0 -45.0 PHI 65 65 A 16 ARG N A 16 ARG CA A 16 ARG CB A 16 ARG CG 1.0 -205.0 -85.0 CHI1 66 66 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 LYS N 1.0 -85.0 195.0 PSI 67 67 A 16 ARG C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -185.0 -45.0 PHI 68 68 A 17 LYS N A 17 LYS CA A 17 LYS CB A 17 LYS CG 1.0 -335.0 -25.0 CHI1 69 69 A 17 LYS N A 17 LYS CA A 17 LYS CB A 17 LYS CG 1.0 -205.0 55.0 CHI1 70 70 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 ARG N 1.0 -85.0 -5.0 PSI 71 71 A 17 LYS C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -165.0 -45.0 PHI 72 72 A 18 ARG N A 18 ARG CA A 18 ARG CB A 18 ARG CG 1.0 -205.0 -105.0 CHI1 73 73 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 LEU N 1.0 45.0 195.0 PSI 74 74 A 18 ARG C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 45.0 315.0 PHI 75 75 A 18 ARG C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -185.0 75.0 PHI 76 76 A 19 LEU N A 19 LEU CA A 19 LEU CB A 19 LEU CG 1.0 -225.0 105.0 CHI1 77 77 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 LYS N 1.0 -85.0 75.0 PSI 78 78 A 19 LEU C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 45.0 315.0 PHI 79 79 A 19 LEU C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -185.0 75.0 PHI 80 80 A 20 LYS N A 20 LYS CA A 20 LYS CB A 20 LYS CG 1.0 -335.0 -25.0 CHI1 81 81 A 20 LYS N A 20 LYS CA A 20 LYS CB A 20 LYS CG 1.0 -205.0 95.0 CHI1 82 82 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 CYS N 1.0 -85.0 195.0 PSI 83 83 A 20 LYS C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -145.0 -45.0 PHI 84 84 A 21 CYS N A 21 CYS CA A 21 CYS CB A 21 CYS SG 1.0 -205.0 -115.0 CHI1 85 85 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 PHE N 1.0 35.0 195.0 PSI 86 86 A 21 CYS C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -155.0 -45.0 PHI 87 87 A 22 PHE N A 22 PHE CA A 22 PHE CB A 22 PHE CG 1.0 -205.0 -125.0 CHI1 88 88 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 ARG N 1.0 -85.0 35.0 PSI 89 89 A 22 PHE C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -175.0 -45.0 PHI 90 90 A 23 ARG N A 23 ARG CA A 23 ARG CB A 23 ARG CG 1.0 -205.0 -25.0 CHI1 91 91 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 CYS N 1.0 -85.0 -15.0 PSI 92 92 A 23 ARG C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 45.0 315.0 PHI 93 93 A 23 ARG C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 -185.0 75.0 PHI 94 94 A 24 CYS N A 24 CYS CA A 24 CYS CB A 24 CYS SG 1.0 -335.0 -25.0 CHI1 95 95 A 24 CYS N A 24 CYS CA A 24 CYS CB A 24 CYS SG 1.0 -205.0 85.0 CHI1 96 96 A 24 CYS N A 24 CYS CA A 24 CYS C A 25 GLY N 1.0 -85.0 75.0 PSI 97 97 A 24 CYS C A 25 GLY N A 25 GLY CA A 25 GLY C 1.0 45.0 315.0 PHI 98 98 A 25 GLY N A 25 GLY CA A 25 GLY C A 26 ALA N 1.0 -115.0 115.0 PSI 99 99 A 25 GLY C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 45.0 315.0 PHI 100 100 A 25 GLY C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -185.0 75.0 PHI 101 101 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 ASP N 1.0 55.0 185.0 PSI 102 102 A 26 ALA C A 27 ASP N A 27 ASP CA A 27 ASP C 1.0 -135.0 -45.0 PHI 103 103 A 27 ASP N A 27 ASP CA A 27 ASP CB A 27 ASP CG 1.0 -225.0 -115.0 CHI1 104 104 A 27 ASP N A 27 ASP CA A 27 ASP C A 28 LYS N 1.0 95.0 185.0 PSI 105 105 A 27 ASP C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 45.0 315.0 PHI 106 106 A 27 ASP C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -185.0 75.0 PHI 107 107 A 28 LYS N A 28 LYS CA A 28 LYS CB A 28 LYS CG 1.0 -335.0 -25.0 CHI1 108 108 A 28 LYS N A 28 LYS CA A 28 LYS CB A 28 LYS CG 1.0 -205.0 95.0 CHI1 109 109 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 PHE N 1.0 -85.0 135.0 PSI 110 110 A 28 LYS C A 29 PHE N A 29 PHE CA A 29 PHE C 1.0 -175.0 -85.0 PHI 111 111 A 29 PHE N A 29 PHE CA A 29 PHE CB A 29 PHE CG 1.0 -165.0 -95.0 CHI1 112 112 A 29 PHE N A 29 PHE CA A 29 PHE C A 30 ASP N 1.0 5.0 55.0 PSI 113 113 A 29 PHE C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 45.0 315.0 PHI 114 114 A 29 PHE C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -185.0 75.0 PHI 115 115 A 30 ASP N A 30 ASP CA A 30 ASP CB A 30 ASP CG 1.0 -225.0 115.0 CHI1 stop_ save_