data_nef_c17970_2lk1 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 17969 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 3 1 ZN ZN 1 11 CYS SG 3 1 ZN ZN 1 8 CYS SG 3 1 ZN ZN 1 22 CYS SG 3 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 C 1 AQN . . . 34 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 8.035 0.020 A 1 LYS HA H 1 3.952 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 1.080 0.020 A 1 LYS HGx H 1 0.992 0.020 A 2 PHE H H 1 8.329 0.020 A 2 PHE HA H 1 4.552 0.020 A 2 PHE HBy H 1 2.975 0.020 A 2 PHE HBx H 1 2.708 0.020 A 2 PHE HD1 H 1 7.040 0.020 A 2 PHE HD2 H 1 7.040 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 8.018 0.020 A 3 GLU HA H 1 4.283 0.020 A 3 GLU HB2 H 1 1.701 0.020 A 3 GLU HB3 H 1 1.701 0.020 A 3 GLU HG2 H 1 2.003 0.020 A 3 GLU HG3 H 1 2.003 0.020 A 4 ASP H H 1 8.096 0.020 A 4 ASP HA H 1 4.427 0.020 A 4 ASP HBy H 1 2.567 0.020 A 4 ASP HBx H 1 2.261 0.020 A 5 TRP H H 1 8.330 0.020 A 5 TRP HA H 1 4.867 0.020 A 5 TRP HBy H 1 3.128 0.020 A 5 TRP HBx H 1 2.862 0.020 A 5 TRP HD1 H 1 6.917 0.020 A 5 TRP HE1 H 1 9.467 0.020 A 5 TRP HE3 H 1 7.126 0.020 A 5 TRP HH2 H 1 6.613 0.020 A 5 TRP HZ2 H 1 6.420 0.020 A 5 TRP HZ3 H 1 6.872 0.020 A 6 LEU H H 1 8.630 0.020 A 6 LEU HA H 1 4.386 0.020 A 6 LEU HB2 H 1 1.342 0.020 A 6 LEU HB3 H 1 1.342 0.020 A 6 LEU HDx% H 1 0.605 0.020 A 6 LEU HDy% H 1 0.533 0.020 A 6 LEU HG H 1 1.171 0.020 A 7 CYS H H 1 8.463 0.020 A 7 CYS HA H 1 4.486 0.020 A 7 CYS HBy H 1 2.931 0.020 A 7 CYS HBx H 1 2.509 0.020 A 8 ASN H H 1 8.955 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 2.571 0.020 A 8 ASN HD21 H 1 6.717 0.020 A 8 ASN HD22 H 1 7.454 0.020 A 9 LYS H H 1 9.070 0.020 A 9 LYS HA H 1 4.245 0.020 A 9 LYS HB2 H 1 1.768 0.020 A 9 LYS HB3 H 1 1.768 0.020 A 9 LYS HDy H 1 1.538 0.020 A 9 LYS HDx H 1 1.437 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 1.234 0.020 A 9 LYS HG3 H 1 1.234 0.020 A 10 CYS H H 1 8.806 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 2.391 0.020 A 11 CYS H H 1 7.609 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 3.001 0.020 A 12 LEU H H 1 7.610 0.020 A 12 LEU HA H 1 3.971 0.020 A 12 LEU HB2 H 1 1.346 0.020 A 12 LEU HB3 H 1 1.346 0.020 A 12 LEU HDx% H 1 0.756 0.020 A 12 LEU HDy% H 1 0.641 0.020 A 12 LEU HG H 1 1.251 0.020 A 13 ASN H H 1 8.391 0.020 A 13 ASN HA H 1 4.551 0.020 A 13 ASN HBy H 1 2.349 0.020 A 13 ASN HBx H 1 2.254 0.020 A 13 ASN HD21 H 1 6.588 0.020 A 13 ASN HD22 H 1 7.124 0.020 A 14 ASN H H 1 9.049 0.020 A 14 ASN HA H 1 4.226 0.020 A 14 ASN HBy H 1 1.232 0.020 A 14 ASN HBx H 1 0.182 0.020 A 15 PHE H H 1 7.629 0.020 A 15 PHE HA H 1 4.319 0.020 A 15 PHE HBy H 1 2.959 0.020 A 15 PHE HBx H 1 2.697 0.020 A 15 PHE HD1 H 1 7.109 0.020 A 15 PHE HD2 H 1 7.109 0.020 A 15 PHE HE1 H 1 7.043 0.020 A 15 PHE HE2 H 1 7.043 0.020 A 16 ARG H H 1 8.140 0.020 A 16 ARG HA H 1 3.972 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 2.789 0.020 A 16 ARG HD3 H 1 2.789 0.020 A 16 ARG HE H 1 7.075 0.020 A 16 ARG HGy H 1 0.920 0.020 A 16 ARG HGx H 1 0.772 0.020 A 17 LYS H H 1 6.021 0.020 A 17 LYS HA H 1 4.007 0.020 A 17 LYS HBy H 1 1.799 0.020 A 17 LYS HBx H 1 1.566 0.020 A 17 LYS HD2 H 1 1.523 0.020 A 17 LYS HD3 H 1 1.523 0.020 A 17 LYS HE2 H 1 2.758 0.020 A 17 LYS HE3 H 1 2.758 0.020 A 17 LYS HG2 H 1 1.105 0.020 A 17 LYS HG3 H 1 1.105 0.020 A 18 ARG H H 1 8.259 0.020 A 18 ARG HA H 1 4.170 0.020 A 18 ARG HBy H 1 2.092 0.020 A 18 ARG HBx H 1 2.013 0.020 A 18 ARG HDy H 1 3.402 0.020 A 18 ARG HDx H 1 3.338 0.020 A 18 ARG HE H 1 7.288 0.020 A 18 ARG HGy H 1 1.838 0.020 A 18 ARG HGx H 1 1.789 0.020 A 19 LEU H H 1 8.705 0.020 A 19 LEU HA H 1 4.146 0.020 A 19 LEU HB2 H 1 1.527 0.020 A 19 LEU HB3 H 1 1.527 0.020 A 19 LEU HDx% H 1 0.774 0.020 A 19 LEU HDy% H 1 0.634 0.020 A 19 LEU HG H 1 1.328 0.020 A 20 LYS H H 1 7.504 0.020 A 20 LYS HA H 1 4.959 0.020 A 20 LYS HB2 H 1 1.415 0.020 A 20 LYS HB3 H 1 1.415 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 2.536 0.020 A 20 LYS HE3 H 1 2.536 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 9.624 0.020 A 21 CYS HA H 1 3.943 0.020 A 21 CYS HBy H 1 3.067 0.020 A 21 CYS HBx H 1 2.967 0.020 A 22 PHE H H 1 9.084 0.020 A 22 PHE HA H 1 3.959 0.020 A 22 PHE HBy H 1 2.907 0.020 A 22 PHE HBx H 1 2.468 0.020 A 22 PHE HD1 H 1 6.829 0.020 A 22 PHE HD2 H 1 6.829 0.020 A 22 PHE HE1 H 1 7.066 0.020 A 22 PHE HE2 H 1 7.066 0.020 A 23 ARG H H 1 8.776 0.020 A 23 ARG HA H 1 4.048 0.020 A 23 ARG HBy H 1 2.036 0.020 A 23 ARG HBx H 1 1.471 0.020 A 23 ARG HDy H 1 3.138 0.020 A 23 ARG HDx H 1 2.986 0.020 A 23 ARG HE H 1 7.232 0.020 A 23 ARG HGy H 1 1.364 0.020 A 23 ARG HGx H 1 1.323 0.020 A 24 CYS H H 1 8.250 0.020 A 24 CYS HA H 1 4.725 0.020 A 24 CYS HBy H 1 3.036 0.020 A 24 CYS HBx H 1 2.398 0.020 A 25 GLY H H 1 7.503 0.020 A 25 GLY HAy H 1 4.017 0.020 A 25 GLY HAx H 1 3.611 0.020 A 26 ALA H H 1 8.696 0.020 A 26 ALA HA H 1 4.088 0.020 A 26 ALA HB% H 1 1.409 0.020 A 27 ASP H H 1 8.463 0.020 A 27 ASP HA H 1 4.398 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 7.307 0.020 A 28 LYS HA H 1 2.508 0.020 A 28 LYS HB2 H 1 0.481 0.020 A 28 LYS HB3 H 1 0.481 0.020 A 28 LYS HDy H 1 0.575 0.020 A 28 LYS HDx H 1 -0.228 0.020 A 28 LYS HEy H 1 2.035 0.020 A 28 LYS HEx H 1 0.350 0.020 A 28 LYS HGy H 1 0.138 0.020 A 28 LYS HGx H 1 -0.841 0.020 A 29 PHE H H 1 7.718 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 2.779 0.020 A 29 PHE HD1 H 1 7.066 0.020 A 29 PHE HD2 H 1 7.066 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 7.835 0.020 A 30 ASP HA H 1 4.287 0.020 A 30 ASP HB2 H 1 2.370 0.020 A 30 ASP HB3 H 1 2.370 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 HBy A 5 TRP HE3 1.0 . 2.83 2 2 A 5 TRP HE3 A 28 LYS HA 1.0 . 4.32 3 3 A 1 LYS H A 1 LYS HBy 1.0 . 2.88 4 4 A 1 LYS HBy A 1 LYS HE2 1.0 . 6.38 5 4 A 1 LYS HBy A 1 LYS HE3 1.0 . 6.38 6 5 A 1 LYS HBy A 1 LYS HA 1.0 . 2.40 7 6 A 3 GLU HA A 3 GLU HG2 1.0 . 3.56 8 6 A 3 GLU HA A 3 GLU HG3 1.0 . 3.56 9 7 A 13 ASN HD22 A 13 ASN HBx 1.0 . 4.06 10 8 A 13 ASN HD22 A 13 ASN HBy 1.0 . 4.06 11 9 A 26 ALA H A 26 ALA HB% 1.0 . 3.70 12 10 A 23 ARG HA A 23 ARG HGx 1.0 . 2.98 13 11 A 5 TRP HH2 A 21 CYS HA 1.0 . 3.39 14 12 A 5 TRP HH2 A 20 LYS HA 1.0 . 4.26 15 13 A 5 TRP HH2 A 21 CYS H 1.0 . 3.13 16 14 A 5 TRP HH2 A 21 CYS HBx 1.0 . 3.54 17 15 A 5 TRP HH2 A 21 CYS HBy 1.0 . 3.54 18 16 A 3 GLU H A 3 GLU HG2 1.0 . 4.27 19 16 A 3 GLU HG3 A 3 GLU H 1.0 . 4.27 20 17 A 3 GLU H A 2 PHE HBx 1.0 . 4.77 21 18 A 3 GLU H A 2 PHE HA 1.0 . 2.68 22 19 A 3 GLU H A 3 GLU HB2 1.0 . 4.20 23 19 A 3 GLU H A 3 GLU HB3 1.0 . 4.20 24 20 A 1 LYS HA A 1 LYS HD2 1.0 . 4.34 25 20 A 1 LYS HA A 1 LYS HD3 1.0 . 4.34 26 21 A 20 LYS HB3 A 20 LYS HE2 1.0 . 5.12 27 21 A 20 LYS HB2 A 20 LYS HE2 1.0 . 5.12 28 21 A 20 LYS HE3 A 20 LYS HB2 1.0 . 5.12 29 21 A 20 LYS HB3 A 20 LYS HE3 1.0 . 5.12 30 22 A 2 PHE HA A 2 PHE HD% 1.0 . 5.23 31 23 A 2 PHE HD% A 2 PHE H 1.0 . 6.04 32 24 A 29 PHE HA A 29 PHE HBy 1.0 . 2.91 33 25 A 16 ARG HD3 A 16 ARG HBy 1.0 . 3.63 34 25 A 16 ARG HBy A 16 ARG HD2 1.0 . 3.63 35 26 A 12 LEU HA A 12 LEU HDy% 1.0 . 5.08 36 27 A 15 PHE HD% A 17 LYS HG2 1.0 . 6.06 37 27 A 15 PHE HD% A 17 LYS HG3 1.0 . 6.06 38 28 A 15 PHE HD% A 17 LYS H 1.0 . 6.09 39 29 A 15 PHE HD% A 15 PHE HA 1.0 . 4.85 40 30 A 26 ALA H A 25 GLY H 1.0 . 2.91 41 31 A 25 GLY H A 25 GLY HAx 1.0 . 2.89 42 32 A 21 CYS H A 25 GLY H 1.0 . 5.50 43 33 A 25 GLY H A 23 ARG H 1.0 . 4.17 44 34 A 25 GLY H A 25 GLY HAy 1.0 . 2.89 45 35 A 5 TRP HBy A 5 TRP HD1 1.0 . 3.82 46 36 A 5 TRP HD1 A 5 TRP H 1.0 . 3.31 47 37 A 5 TRP HD1 A 4 ASP HA 1.0 . 3.75 48 38 A 5 TRP HD1 A 16 ARG HA 1.0 . 2.59 49 39 A 5 TRP HD1 A 5 TRP HBx 1.0 . 3.02 50 40 A 5 TRP HD1 A 5 TRP HA 1.0 . 4.19 51 41 A 5 TRP HBy A 5 TRP HA 1.0 . 2.75 52 42 A 7 CYS HA A 8 ASN H 1.0 . 2.68 53 43 A 8 ASN H A 8 ASN HBx 1.0 . 3.51 54 44 A 8 ASN H A 9 LYS H 1.0 . 2.92 55 45 A 8 ASN H A 8 ASN HBy 1.0 . 3.51 56 46 A 28 LYS HA A 28 LYS HGy 1.0 . 4.20 57 47 A 28 LYS HA A 28 LYS HGx 1.0 . 4.20 58 48 A 15 PHE HD% A 15 PHE H 1.0 . 6.20 59 49 A 15 PHE H A 15 PHE HBx 1.0 . 3.42 60 50 A 15 PHE H A 14 ASN HA 1.0 . 2.72 61 51 A 15 PHE H A 15 PHE HBy 1.0 . 3.42 62 52 A 10 CYS H A 9 LYS HB2 1.0 . 3.94 63 52 A 9 LYS HB3 A 10 CYS H 1.0 . 3.94 64 53 A 10 CYS H A 11 CYS H 1.0 . 3.18 65 54 A 5 TRP H A 4 ASP HA 1.0 . 2.55 66 55 A 5 TRP H A 4 ASP HBy 1.0 . 3.48 67 56 A 5 TRP H A 14 ASN H 1.0 . 3.59 68 57 A 6 LEU HA A 6 LEU HDy% 1.0 . 4.60 69 58 A 12 LEU HA A 6 LEU HDy% 1.0 . 5.83 70 59 A 5 TRP HBy A 6 LEU H 1.0 . 3.16 71 60 A 6 LEU H A 6 LEU HB2 1.0 . 3.46 72 60 A 6 LEU H A 6 LEU HB3 1.0 . 3.46 73 61 A 6 LEU H A 7 CYS H 1.0 . 4.28 74 62 A 5 TRP HBx A 6 LEU H 1.0 . 3.65 75 63 A 5 TRP HA A 6 LEU H 1.0 . 2.45 76 64 A 6 LEU H A 6 LEU HG 1.0 . 5.50 77 65 A 13 ASN HD21 A 13 ASN HBx 1.0 . 4.06 78 66 A 13 ASN HD21 A 13 ASN HBy 1.0 . 4.06 79 67 A 29 PHE HA A 30 ASP H 1.0 . 2.88 80 68 A 30 ASP H A 30 ASP HB2 1.0 . 3.52 81 68 A 30 ASP H A 30 ASP HB3 1.0 . 3.52 82 69 A 23 ARG HA A 23 ARG HGy 1.0 . 2.98 83 70 A 21 CYS HA A 5 TRP HZ2 1.0 . 5.40 84 71 A 5 TRP HZ2 A 18 ARG HBx 1.0 . 3.68 85 72 A 21 CYS H A 5 TRP HZ2 1.0 . 4.75 86 73 A 5 TRP HZ2 A 18 ARG HBy 1.0 . 3.68 87 74 A 1 LYS HBx A 1 LYS HE2 1.0 . 6.27 88 74 A 1 LYS HE3 A 1 LYS HBx 1.0 . 6.27 89 75 A 23 ARG H A 23 ARG HBy 1.0 . 3.51 90 76 A 23 ARG H A 24 CYS H 1.0 . 2.84 91 77 A 23 ARG H A 23 ARG HBx 1.0 . 3.51 92 78 A 23 ARG H A 22 PHE H 1.0 . 3.22 93 79 A 22 PHE HA A 22 PHE HD% 1.0 . 5.28 94 80 A 22 PHE H A 22 PHE HD% 1.0 . 6.59 95 81 A 8 ASN HA A 8 ASN HBx 1.0 . 2.91 96 82 A 17 LYS HA A 17 LYS HG2 1.0 . 3.77 97 82 A 17 LYS HG3 A 17 LYS HA 1.0 . 3.77 98 83 A 17 LYS H A 17 LYS HG2 1.0 . 4.88 99 83 A 17 LYS HG3 A 17 LYS H 1.0 . 4.88 100 84 A 6 LEU HA A 7 CYS H 1.0 . 2.51 101 85 A 7 CYS H A 11 CYS HA 1.0 . 4.72 102 86 A 7 CYS H A 7 CYS HBx 1.0 . 3.24 103 87 A 7 CYS H A 6 LEU HB2 1.0 . 4.43 104 87 A 6 LEU HB3 A 7 CYS H 1.0 . 4.43 105 88 A 7 CYS H A 7 CYS HBy 1.0 . 3.24 106 89 A 7 CYS H A 6 LEU HG 1.0 . 3.97 107 90 A 14 ASN H A 6 LEU HA 1.0 . 4.74 108 91 A 14 ASN H A 14 ASN HBx 1.0 . 3.86 109 92 A 14 ASN H A 13 ASN HA 1.0 . 2.68 110 93 A 14 ASN H A 14 ASN HBy 1.0 . 3.86 111 94 A 3 GLU H A 2 PHE H 1.0 . 3.50 112 95 A 1 LYS H A 2 PHE H 1.0 . 4.03 113 96 A 2 PHE H A 2 PHE HBx 1.0 . 3.72 114 97 A 2 PHE H A 2 PHE HBy 1.0 . 3.72 115 98 A 1 LYS HA A 2 PHE H 1.0 . 2.87 116 99 A 20 LYS HA A 28 LYS H 1.0 . 3.76 117 100 A 28 LYS H A 27 ASP HA 1.0 . 2.45 118 101 A 28 LYS H A 28 LYS HB2 1.0 . 3.72 119 101 A 28 LYS H A 28 LYS HB3 1.0 . 3.72 120 102 A 20 LYS HB2 A 20 LYS HD2 1.0 . 4.16 121 102 A 20 LYS HB3 A 20 LYS HD2 1.0 . 4.16 122 102 A 20 LYS HD3 A 20 LYS HB2 1.0 . 4.16 123 102 A 20 LYS HB3 A 20 LYS HD3 1.0 . 4.16 124 103 A 9 LYS HDy A 9 LYS HB2 1.0 . 3.85 125 103 A 9 LYS HB3 A 9 LYS HDy 1.0 . 3.85 126 104 A 9 LYS HB2 A 9 LYS HDx 1.0 . 3.85 127 104 A 9 LYS HB3 A 9 LYS HDx 1.0 . 3.85 128 105 A 6 LEU HA A 6 LEU HDx% 1.0 . 4.60 129 106 A 13 ASN HA A 6 LEU HDx% 1.0 . 4.96 130 107 A 9 LYS HA A 9 LYS HDy 1.0 . 4.29 131 108 A 12 LEU HA A 12 LEU HG 1.0 . 4.01 132 109 A 27 ASP H A 27 ASP HBx 1.0 . 2.88 133 110 A 26 ALA HB% A 27 ASP H 1.0 . 3.88 134 111 A 27 ASP HA A 27 ASP H 1.0 . 2.79 135 112 A 27 ASP H A 27 ASP HBy 1.0 . 2.88 136 113 A 28 LYS H A 27 ASP H 1.0 . 4.57 137 114 A 27 ASP H A 26 ALA HA 1.0 . 2.40 138 115 A 25 GLY H A 24 CYS H 1.0 . 2.92 139 116 A 24 CYS H A 24 CYS HBx 1.0 . 3.59 140 117 A 24 CYS H A 24 CYS HBy 1.0 . 3.59 141 118 A 17 LYS HA A 17 LYS HD2 1.0 . 4.15 142 118 A 17 LYS HA A 17 LYS HD3 1.0 . 4.15 143 119 A 29 PHE H A 29 PHE HBy 1.0 . 3.34 144 120 A 28 LYS HA A 29 PHE H 1.0 . 3.22 145 121 A 30 ASP H A 29 PHE H 1.0 . 5.50 146 122 A 28 LYS H A 29 PHE H 1.0 . 3.93 147 123 A 29 PHE H A 29 PHE HBx 1.0 . 3.34 148 124 A 7 CYS HA A 5 TRP HZ3 1.0 . 2.71 149 125 A 5 TRP HZ3 A 7 CYS HBx 1.0 . 3.63 150 126 A 9 LYS H A 10 CYS H 1.0 . 3.43 151 127 A 18 ARG HA A 19 LEU H 1.0 . 2.55 152 128 A 19 LEU H A 19 LEU HA 1.0 . 2.91 153 129 A 19 LEU H A 19 LEU HB2 1.0 . 3.48 154 129 A 19 LEU H A 19 LEU HB3 1.0 . 3.48 155 130 A 19 LEU H A 20 LYS H 1.0 . 2.76 156 131 A 4 ASP H A 3 GLU HG2 1.0 . 3.89 157 131 A 3 GLU HG3 A 4 ASP H 1.0 . 3.89 158 132 A 4 ASP H A 4 ASP HBy 1.0 . 3.51 159 133 A 3 GLU HA A 4 ASP H 1.0 . 2.51 160 134 A 4 ASP H A 3 GLU HB2 1.0 . 4.51 161 134 A 3 GLU HB3 A 4 ASP H 1.0 . 4.51 162 135 A 4 ASP H A 4 ASP HBx 1.0 . 3.51 163 136 A 29 PHE HA A 29 PHE HD% 1.0 . 5.06 164 137 A 29 PHE HA A 29 PHE HBx 1.0 . 2.91 165 138 A 8 ASN HA A 8 ASN HBy 1.0 . 2.91 166 139 A 5 TRP HBx A 5 TRP HA 1.0 . 2.64 167 140 A 12 LEU HG A 23 ARG HE 1.0 . 3.91 168 141 A 21 CYS HA A 22 PHE H 1.0 . 2.89 169 142 A 22 PHE H A 22 PHE HBx 1.0 . 3.31 170 143 A 22 PHE H A 22 PHE HBy 1.0 . 3.31 171 144 A 18 ARG H A 18 ARG HBx 1.0 . 3.57 172 145 A 17 LYS HA A 18 ARG H 1.0 . 3.46 173 146 A 18 ARG H A 18 ARG HBy 1.0 . 3.57 174 147 A 19 LEU H A 18 ARG H 1.0 . 4.30 175 148 A 18 ARG H A 5 TRP HE1 1.0 . 4.84 176 149 A 17 LYS H A 18 ARG H 1.0 . 3.66 177 150 A 16 ARG H A 16 ARG HBy 1.0 . 3.12 178 151 A 15 PHE HD% A 16 ARG H 1.0 . 5.46 179 152 A 16 ARG H A 16 ARG HGx 1.0 . 4.60 180 153 A 4 ASP HA A 16 ARG H 1.0 . 3.17 181 154 A 16 ARG H A 16 ARG HGy 1.0 . 4.60 182 155 A 16 ARG H A 16 ARG HBx 1.0 . 3.12 183 156 A 15 PHE HA A 16 ARG H 1.0 . 2.40 184 157 A 16 ARG H A 16 ARG HD2 1.0 . 4.95 185 157 A 16 ARG HD3 A 16 ARG H 1.0 . 4.95 186 158 A 21 CYS H A 21 CYS HBy 1.0 . 3.18 187 159 A 16 ARG HD3 A 16 ARG HBx 1.0 . 3.63 188 159 A 16 ARG HBx A 16 ARG HD2 1.0 . 3.63 189 160 A 18 ARG HA A 20 LYS H 1.0 . 4.09 190 161 A 20 LYS H A 20 LYS HG2 1.0 . 5.28 191 161 A 20 LYS H A 20 LYS HG3 1.0 . 5.28 192 162 A 20 LYS H A 18 ARG HBy 1.0 . 4.22 193 163 A 20 LYS H A 20 LYS HB2 1.0 . 3.75 194 163 A 20 LYS HB3 A 20 LYS H 1.0 . 3.75 195 164 A 12 LEU HG A 13 ASN H 1.0 . 5.25 196 165 A 13 ASN H A 13 ASN HBx 1.0 . 3.04 197 166 A 12 LEU HA A 13 ASN H 1.0 . 2.53 198 167 A 13 ASN H A 12 LEU HB2 1.0 . 4.05 199 167 A 13 ASN H A 12 LEU HB3 1.0 . 4.05 200 168 A 13 ASN H A 13 ASN HBy 1.0 . 3.04 201 169 A 6 LEU HA A 6 LEU HG 1.0 . 3.78 202 170 A 9 LYS HA A 9 LYS HDx 1.0 . 4.29 203 171 A 5 TRP HE3 A 7 CYS HA 1.0 . 3.25 204 172 A 21 CYS H A 20 LYS HB2 1.0 . 4.64 205 172 A 21 CYS H A 20 LYS HB3 1.0 . 4.64 206 173 A 21 CYS H A 21 CYS HBx 1.0 . 3.18 207 174 A 5 TRP HZ3 A 7 CYS HBy 1.0 . 3.63 208 175 A 5 TRP H A 4 ASP H 1.0 . 4.63 209 176 A 5 TRP H A 4 ASP HBx 1.0 . 3.48 210 177 A 4 ASP HA A 16 ARG HA 1.0 . 3.60 211 178 A 13 ASN HA A 6 LEU HDy% 1.0 . 4.96 212 179 A 7 CYS H A 13 ASN HA 1.0 . 3.78 213 180 A 12 LEU HA A 12 LEU HDx% 1.0 . 5.08 214 181 A 6 LEU HA A 13 ASN HA 1.0 . 5.50 215 182 A 20 LYS HA A 27 ASP HA 1.0 . 3.16 216 183 A 5 TRP HZ2 A 19 LEU HA 1.0 . 4.30 217 184 A 8 ASN H A 5 TRP HZ3 1.0 . 4.42 218 185 A 20 LYS H A 19 LEU HB2 1.0 . 4.00 219 185 A 19 LEU HB3 A 20 LYS H 1.0 . 4.00 220 186 A 22 PHE HA A 22 PHE HE% 1.0 . 6.25 221 187 A 22 PHE HE% A 12 LEU HDy% 1.0 . 7.30 222 188 A 22 PHE HE% A 12 LEU HDx% 1.0 . 7.30 223 189 A 3 GLU H A 2 PHE HBy 1.0 . 4.77 224 190 A 15 PHE HD% A 17 LYS HD2 1.0 . 5.92 225 190 A 15 PHE HD% A 17 LYS HD3 1.0 . 5.92 226 191 A 17 LYS HD3 A 15 PHE HE1 1.0 . 6.61 227 191 A 15 PHE HE2 A 17 LYS HD2 1.0 . 6.61 228 191 A 17 LYS HD3 A 15 PHE HE2 1.0 . 6.61 229 191 A 15 PHE HE1 A 17 LYS HD2 1.0 . 6.61 230 192 A 17 LYS HG3 A 15 PHE HE1 1.0 . 6.97 231 192 A 15 PHE HE1 A 17 LYS HG2 1.0 . 6.97 232 192 A 17 LYS HG3 A 15 PHE HE2 1.0 . 6.97 233 192 A 15 PHE HE2 A 17 LYS HG2 1.0 . 6.97 234 193 A 20 LYS H A 18 ARG HBx 1.0 . 4.22 235 194 A 15 PHE HD% A 18 ARG HGx 1.0 . 5.76 236 195 A 15 PHE HD% A 18 ARG HGy 1.0 . 5.76 237 196 A 26 ALA H A 27 ASP H 1.0 . 5.22 238 197 A 29 PHE H A 28 LYS HB2 1.0 . 4.96 239 197 A 28 LYS HB3 A 29 PHE H 1.0 . 4.96 240 198 A 1 LYS H A 1 LYS HBx 1.0 . 3.03 241 199 A 12 LEU HA A 6 LEU HDx% 1.0 . 5.83 242 200 A 1 LYS HBy A 2 PHE H 1.0 . 4.84 243 201 A 29 PHE H A 29 PHE HD% 1.0 . 5.71 244 202 A 28 LYS H A 20 LYS HG2 1.0 . 5.85 245 202 A 28 LYS H A 20 LYS HG3 1.0 . 5.85 246 203 A 3 GLU H A 2 PHE HD% 1.0 . 6.72 247 204 A 29 PHE H A 29 PHE HE% 1.0 . 7.63 248 205 A 22 PHE HE% C 1 AQN H1 1.0 . 5.50 249 206 A 15 PHE HD% C 1 AQN H1 1.0 . 5.50 250 207 A 22 PHE HE% C 1 AQN H12 1.0 . 4.50 251 208 A 15 PHE HE2 C 1 AQN H13 1.0 . 4.50 252 209 A 15 PHE HE1 C 1 AQN H5 1.0 . 5.50 253 210 A 14 ASN HA C 1 AQN H5 1.0 . 5.50 254 211 A 1 LYS H A 1 LYS HGy 1.0 . 4.04 255 211 A 1 LYS H A 1 LYS HGx 1.0 . 4.04 256 212 A 2 PHE H A 2 PHE HBy 1.0 . 3.00 257 212 A 2 PHE H A 2 PHE HBx 1.0 . 3.00 258 213 A 3 GLU H A 2 PHE HBy 1.0 . 3.94 259 213 A 3 GLU H A 2 PHE HBx 1.0 . 3.94 260 214 A 3 GLU H A 16 ARG HBy 1.0 . 4.67 261 214 A 3 GLU H A 16 ARG HBx 1.0 . 4.67 262 215 A 4 ASP H A 4 ASP HBx 1.0 . 2.71 263 215 A 4 ASP H A 4 ASP HBy 1.0 . 2.71 264 216 A 4 ASP H A 16 ARG HBy 1.0 . 4.07 265 216 A 4 ASP H A 16 ARG HBx 1.0 . 4.07 266 217 A 5 TRP H A 4 ASP HBx 1.0 . 2.88 267 217 A 5 TRP H A 4 ASP HBy 1.0 . 2.88 268 218 A 13 ASN HD22 A 4 ASP HBx 1.0 . 4.24 269 218 A 13 ASN HD22 A 4 ASP HBy 1.0 . 4.24 270 218 A 13 ASN HD21 A 4 ASP HBy 1.0 . 4.24 271 218 A 13 ASN HD21 A 4 ASP HBx 1.0 . 4.24 272 219 A 14 ASN H A 4 ASP HBx 1.0 . 4.08 273 219 A 14 ASN H A 4 ASP HBy 1.0 . 4.08 274 220 A 5 TRP HBx A 28 LYS HEy 1.0 . 3.89 275 220 A 5 TRP HBx A 28 LYS HEx 1.0 . 3.89 276 221 A 5 TRP HD1 A 16 ARG HBy 1.0 . 3.96 277 221 A 5 TRP HD1 A 16 ARG HBx 1.0 . 3.96 278 222 A 5 TRP HD1 A 28 LYS HEy 1.0 . 3.24 279 222 A 5 TRP HD1 A 28 LYS HEx 1.0 . 3.24 280 223 A 5 TRP HE3 A 28 LYS HGx 1.0 . 4.24 281 223 A 5 TRP HE3 A 28 LYS HGy 1.0 . 4.24 282 224 A 5 TRP HE3 A 28 LYS HEy 1.0 . 4.20 283 224 A 5 TRP HE3 A 28 LYS HEx 1.0 . 4.20 284 225 A 5 TRP HZ3 A 7 CYS HBx 1.0 . 3.01 285 225 A 5 TRP HZ3 A 7 CYS HBy 1.0 . 3.01 286 226 A 5 TRP HZ2 A 14 ASN HBy 1.0 . 4.63 287 226 A 5 TRP HZ2 A 14 ASN HBx 1.0 . 4.63 288 227 A 5 TRP HZ2 A 18 ARG HBy 1.0 . 3.19 289 227 A 5 TRP HZ2 A 18 ARG HBx 1.0 . 3.19 290 228 A 5 TRP HZ2 A 28 LYS HGx 1.0 . 4.38 291 228 A 5 TRP HZ2 A 28 LYS HGy 1.0 . 4.38 292 229 A 5 TRP HH2 A 7 CYS HBx 1.0 . 3.97 293 229 A 5 TRP HH2 A 7 CYS HBy 1.0 . 3.97 294 230 A 5 TRP HH2 A 14 ASN HBy 1.0 . 5.34 295 230 A 5 TRP HH2 A 14 ASN HBx 1.0 . 5.34 296 231 A 5 TRP HH2 A 21 CYS HBx 1.0 . 2.95 297 231 A 5 TRP HH2 A 21 CYS HBy 1.0 . 2.95 298 232 A 6 LEU HA A 6 LEU HDy% 1.0 . 4.02 299 232 A 6 LEU HA A 6 LEU HDx% 1.0 . 4.02 300 233 A 7 CYS H A 6 LEU HDy% 1.0 . 4.59 301 233 A 7 CYS H A 6 LEU HDx% 1.0 . 4.59 302 234 A 12 LEU HA A 6 LEU HDy% 1.0 . 4.50 303 234 A 12 LEU HA A 6 LEU HDx% 1.0 . 4.50 304 235 A 13 ASN HA A 6 LEU HDy% 1.0 . 4.30 305 235 A 13 ASN HA A 6 LEU HDx% 1.0 . 4.30 306 236 A 13 ASN HD22 A 6 LEU HDy% 1.0 . 5.27 307 236 A 13 ASN HD21 A 6 LEU HDy% 1.0 . 5.27 308 236 A 13 ASN HD21 A 6 LEU HDx% 1.0 . 5.27 309 236 A 13 ASN HD22 A 6 LEU HDx% 1.0 . 5.27 310 237 A 7 CYS H A 7 CYS HBx 1.0 . 2.72 311 237 A 7 CYS H A 7 CYS HBy 1.0 . 2.72 312 238 A 10 CYS H A 7 CYS HBx 1.0 . 4.46 313 238 A 10 CYS H A 7 CYS HBy 1.0 . 4.46 314 239 A 11 CYS H A 7 CYS HBx 1.0 . 4.10 315 239 A 11 CYS H A 7 CYS HBy 1.0 . 4.10 316 240 A 8 ASN HA A 8 ASN HBy 1.0 . 2.54 317 240 A 8 ASN HA A 8 ASN HBx 1.0 . 2.54 318 241 A 8 ASN HBx A 8 ASN HD22 1.0 . 2.99 319 241 A 8 ASN HBy A 8 ASN HD22 1.0 . 2.99 320 241 A 8 ASN HD21 A 8 ASN HBy 1.0 . 2.99 321 241 A 8 ASN HBx A 8 ASN HD21 1.0 . 2.99 322 242 A 9 LYS HA A 9 LYS HDx 1.0 . 3.61 323 242 A 9 LYS HA A 9 LYS HDy 1.0 . 3.61 324 243 A 23 ARG HE A 10 CYS HBy 1.0 . 5.03 325 243 A 23 ARG HE A 10 CYS HBx 1.0 . 5.03 326 244 A 12 LEU HA A 12 LEU HDy% 1.0 . 3.64 327 244 A 12 LEU HA A 12 LEU HDx% 1.0 . 3.64 328 245 A 13 ASN H A 12 LEU HDy% 1.0 . 4.17 329 245 A 13 ASN H A 12 LEU HDx% 1.0 . 4.17 330 246 A 22 PHE H A 12 LEU HDy% 1.0 . 5.27 331 246 A 22 PHE H A 12 LEU HDx% 1.0 . 5.27 332 247 A 12 LEU HDx% A 22 PHE HBy 1.0 . 3.70 333 247 A 12 LEU HDy% A 22 PHE HBy 1.0 . 3.70 334 247 A 22 PHE HBx A 12 LEU HDy% 1.0 . 3.70 335 247 A 12 LEU HDx% A 22 PHE HBx 1.0 . 3.70 336 248 A 22 PHE HD% A 12 LEU HDy% 1.0 . 6.17 337 248 A 22 PHE HD% A 12 LEU HDx% 1.0 . 6.17 338 249 A 22 PHE HE% A 12 LEU HDy% 1.0 . 6.20 339 249 A 22 PHE HE% A 12 LEU HDx% 1.0 . 6.20 340 250 A 23 ARG H A 12 LEU HDy% 1.0 . 4.00 341 250 A 23 ARG H A 12 LEU HDx% 1.0 . 4.00 342 251 A 23 ARG HA A 12 LEU HDy% 1.0 . 5.21 343 251 A 23 ARG HA A 12 LEU HDx% 1.0 . 5.21 344 252 A 12 LEU HDy% A 23 ARG HBy 1.0 . 4.22 345 252 A 12 LEU HDx% A 23 ARG HBy 1.0 . 4.22 346 252 A 23 ARG HBx A 12 LEU HDy% 1.0 . 4.22 347 252 A 12 LEU HDx% A 23 ARG HBx 1.0 . 4.22 348 253 A 12 LEU HDx% A 23 ARG HGy 1.0 . 3.21 349 253 A 12 LEU HDy% A 23 ARG HGy 1.0 . 3.21 350 253 A 23 ARG HGx A 12 LEU HDy% 1.0 . 3.21 351 253 A 12 LEU HDx% A 23 ARG HGx 1.0 . 3.21 352 254 A 12 LEU HDx% A 23 ARG HDy 1.0 . 4.30 353 254 A 12 LEU HDy% A 23 ARG HDy 1.0 . 4.30 354 254 A 23 ARG HDx A 12 LEU HDy% 1.0 . 4.30 355 254 A 12 LEU HDx% A 23 ARG HDx 1.0 . 4.30 356 255 C 1 AQN H1 A 12 LEU HDy% 1.0 . 5.44 357 255 C 1 AQN H1 A 12 LEU HDx% 1.0 . 5.44 358 256 C 1 AQN H5 A 12 LEU HDy% 1.0 . 4.47 359 256 C 1 AQN H5 A 12 LEU HDx% 1.0 . 4.47 360 257 A 13 ASN HD21 A 13 ASN HBx 1.0 . 2.80 361 257 A 13 ASN HD22 A 13 ASN HBy 1.0 . 2.80 362 257 A 13 ASN HD21 A 13 ASN HBy 1.0 . 2.80 363 257 A 13 ASN HD22 A 13 ASN HBx 1.0 . 2.80 364 258 A 14 ASN H A 14 ASN HBy 1.0 . 3.39 365 258 A 14 ASN H A 14 ASN HBx 1.0 . 3.39 366 259 A 14 ASN HBy A 18 ARG HBy 1.0 . 3.42 367 259 A 14 ASN HBx A 18 ARG HBy 1.0 . 3.42 368 259 A 18 ARG HBx A 14 ASN HBy 1.0 . 3.42 369 259 A 14 ASN HBx A 18 ARG HBx 1.0 . 3.42 370 260 A 15 PHE H A 15 PHE HBy 1.0 . 2.72 371 260 A 15 PHE H A 15 PHE HBx 1.0 . 2.72 372 261 A 16 ARG H A 15 PHE HBy 1.0 . 4.15 373 261 A 16 ARG H A 15 PHE HBx 1.0 . 4.15 374 262 A 15 PHE HBx A 18 ARG HGy 1.0 . 3.67 375 262 A 15 PHE HBy A 18 ARG HGy 1.0 . 3.67 376 262 A 18 ARG HGx A 15 PHE HBy 1.0 . 3.67 377 262 A 15 PHE HBx A 18 ARG HGx 1.0 . 3.67 378 263 A 15 PHE HD% A 16 ARG HGy 1.0 . 6.20 379 263 A 15 PHE HD% A 16 ARG HGx 1.0 . 6.20 380 264 A 15 PHE HD% A 17 LYS HBy 1.0 . 4.69 381 264 A 15 PHE HD% A 17 LYS HBx 1.0 . 4.69 382 265 A 15 PHE HD% A 18 ARG HGy 1.0 . 4.97 383 265 A 15 PHE HD% A 18 ARG HGx 1.0 . 4.97 384 266 A 16 ARG H A 16 ARG HGy 1.0 . 3.81 385 266 A 16 ARG H A 16 ARG HGx 1.0 . 3.81 386 267 A 16 ARG HBx A 16 ARG HGy 1.0 . 2.18 387 267 A 16 ARG HBy A 16 ARG HGy 1.0 . 2.18 388 267 A 16 ARG HGx A 16 ARG HBy 1.0 . 2.18 389 267 A 16 ARG HBx A 16 ARG HGx 1.0 . 2.18 390 268 A 16 ARG HBx A 16 ARG HD2 1.0 . 3.10 391 268 A 16 ARG HBy A 16 ARG HD2 1.0 . 3.10 392 268 A 16 ARG HD3 A 16 ARG HBy 1.0 . 3.10 393 268 A 16 ARG HD3 A 16 ARG HBx 1.0 . 3.10 394 269 A 16 ARG HE A 16 ARG HBy 1.0 . 5.34 395 269 A 16 ARG HBx A 16 ARG HE 1.0 . 5.34 396 270 A 17 LYS H A 16 ARG HGy 1.0 . 4.19 397 270 A 17 LYS H A 16 ARG HGx 1.0 . 4.19 398 271 A 17 LYS H A 17 LYS HBy 1.0 . 3.40 399 271 A 17 LYS H A 17 LYS HBx 1.0 . 3.40 400 272 A 17 LYS HBy A 17 LYS HD2 1.0 . 3.43 401 272 A 17 LYS HBx A 17 LYS HD2 1.0 . 3.43 402 272 A 17 LYS HD3 A 17 LYS HBy 1.0 . 3.43 403 272 A 17 LYS HD3 A 17 LYS HBx 1.0 . 3.43 404 273 A 17 LYS HBy A 17 LYS HE2 1.0 . 3.82 405 273 A 17 LYS HE3 A 17 LYS HBy 1.0 . 3.82 406 273 A 17 LYS HBx A 17 LYS HE3 1.0 . 3.82 407 273 A 17 LYS HBx A 17 LYS HE2 1.0 . 3.82 408 274 A 18 ARG H A 17 LYS HBy 1.0 . 4.15 409 274 A 18 ARG H A 17 LYS HBx 1.0 . 4.15 410 275 A 18 ARG H A 18 ARG HBy 1.0 . 2.85 411 275 A 18 ARG H A 18 ARG HBx 1.0 . 2.85 412 276 A 18 ARG H A 18 ARG HGy 1.0 . 3.29 413 276 A 18 ARG H A 18 ARG HGx 1.0 . 3.29 414 277 A 18 ARG HA A 18 ARG HGy 1.0 . 3.14 415 277 A 18 ARG HA A 18 ARG HGx 1.0 . 3.14 416 278 A 18 ARG HA A 18 ARG HDy 1.0 . 3.89 417 278 A 18 ARG HA A 18 ARG HDx 1.0 . 3.89 418 279 A 18 ARG HBx A 18 ARG HGy 1.0 . 2.28 419 279 A 18 ARG HBy A 18 ARG HGy 1.0 . 2.28 420 279 A 18 ARG HGx A 18 ARG HBy 1.0 . 2.28 421 279 A 18 ARG HBx A 18 ARG HGx 1.0 . 2.28 422 280 A 18 ARG HBy A 18 ARG HDy 1.0 . 3.27 423 280 A 18 ARG HBx A 18 ARG HDy 1.0 . 3.27 424 280 A 18 ARG HDx A 18 ARG HBy 1.0 . 3.27 425 280 A 18 ARG HBx A 18 ARG HDx 1.0 . 3.27 426 281 A 18 ARG HE A 18 ARG HBy 1.0 . 3.87 427 281 A 18 ARG HBx A 18 ARG HE 1.0 . 3.87 428 282 A 19 LEU H A 18 ARG HBy 1.0 . 3.89 429 282 A 19 LEU H A 18 ARG HBx 1.0 . 3.89 430 283 A 20 LYS H A 18 ARG HBy 1.0 . 3.35 431 283 A 20 LYS H A 18 ARG HBx 1.0 . 3.35 432 284 C 1 AQN H1 A 18 ARG HDy 1.0 . 5.34 433 284 C 1 AQN H1 A 18 ARG HDx 1.0 . 5.34 434 285 A 19 LEU HA A 19 LEU HDx% 1.0 . 3.72 435 285 A 19 LEU HA A 19 LEU HDy% 1.0 . 3.72 436 286 A 20 LYS HE3 A 27 ASP HBx 1.0 . 4.09 437 286 A 20 LYS HE2 A 27 ASP HBx 1.0 . 4.09 438 286 A 27 ASP HBy A 20 LYS HE2 1.0 . 4.09 439 286 A 20 LYS HE3 A 27 ASP HBy 1.0 . 4.09 440 287 A 25 GLY H A 21 CYS HBx 1.0 . 2.84 441 287 A 25 GLY H A 21 CYS HBy 1.0 . 2.84 442 288 A 26 ALA H A 21 CYS HBx 1.0 . 2.90 443 288 A 26 ALA H A 21 CYS HBy 1.0 . 2.90 444 289 A 22 PHE H A 22 PHE HBy 1.0 . 2.89 445 289 A 22 PHE H A 22 PHE HBx 1.0 . 2.89 446 290 A 22 PHE HA A 22 PHE HBy 1.0 . 2.52 447 290 A 22 PHE HA A 22 PHE HBx 1.0 . 2.52 448 291 A 23 ARG H A 22 PHE HBy 1.0 . 4.23 449 291 A 23 ARG H A 22 PHE HBx 1.0 . 4.23 450 292 A 23 ARG H A 23 ARG HBy 1.0 . 2.84 451 292 A 23 ARG H A 23 ARG HBx 1.0 . 2.84 452 293 A 23 ARG H A 23 ARG HGy 1.0 . 4.00 453 293 A 23 ARG H A 23 ARG HGx 1.0 . 4.00 454 294 A 23 ARG HA A 23 ARG HDy 1.0 . 4.11 455 294 A 23 ARG HA A 23 ARG HDx 1.0 . 4.11 456 295 A 23 ARG HBx A 23 ARG HGy 1.0 . 2.18 457 295 A 23 ARG HBy A 23 ARG HGy 1.0 . 2.18 458 295 A 23 ARG HGx A 23 ARG HBy 1.0 . 2.18 459 295 A 23 ARG HBx A 23 ARG HGx 1.0 . 2.18 460 296 A 23 ARG HBx A 23 ARG HDy 1.0 . 3.10 461 296 A 23 ARG HBy A 23 ARG HDy 1.0 . 3.10 462 296 A 23 ARG HDx A 23 ARG HBy 1.0 . 3.10 463 296 A 23 ARG HBx A 23 ARG HDx 1.0 . 3.10 464 297 A 23 ARG HE A 23 ARG HBy 1.0 . 3.24 465 297 A 23 ARG HE A 23 ARG HBx 1.0 . 3.24 466 298 A 24 CYS H A 23 ARG HBy 1.0 . 4.09 467 298 A 24 CYS H A 23 ARG HBx 1.0 . 4.09 468 299 A 23 ARG HDy A 23 ARG HGy 1.0 . 2.33 469 299 A 23 ARG HDx A 23 ARG HGy 1.0 . 2.33 470 299 A 23 ARG HGx A 23 ARG HDy 1.0 . 2.33 471 299 A 23 ARG HGx A 23 ARG HDx 1.0 . 2.33 472 300 A 24 CYS H A 23 ARG HGy 1.0 . 4.86 473 300 A 24 CYS H A 23 ARG HGx 1.0 . 4.86 474 301 A 24 CYS H A 24 CYS HBx 1.0 . 3.12 475 301 A 24 CYS H A 24 CYS HBy 1.0 . 3.12 476 302 A 24 CYS HA A 24 CYS HBx 1.0 . 2.64 477 302 A 24 CYS HBy A 24 CYS HA 1.0 . 2.64 478 303 A 25 GLY H A 25 GLY HAy 1.0 . 2.45 479 303 A 25 GLY H A 25 GLY HAx 1.0 . 2.45 480 304 A 26 ALA HB% A 25 GLY HAy 1.0 . 4.14 481 304 A 26 ALA HB% A 25 GLY HAx 1.0 . 4.14 482 305 A 27 ASP H A 27 ASP HBx 1.0 . 2.42 483 305 A 27 ASP H A 27 ASP HBy 1.0 . 2.42 484 306 A 28 LYS H A 27 ASP HBx 1.0 . 3.48 485 306 A 28 LYS H A 27 ASP HBy 1.0 . 3.48 486 307 A 29 PHE H A 27 ASP HBx 1.0 . 3.99 487 307 A 29 PHE H A 27 ASP HBy 1.0 . 3.99 488 308 A 28 LYS H A 28 LYS HGx 1.0 . 2.81 489 308 A 28 LYS H A 28 LYS HGy 1.0 . 2.81 490 309 A 28 LYS HA A 28 LYS HGx 1.0 . 3.45 491 309 A 28 LYS HA A 28 LYS HGy 1.0 . 3.45 492 310 A 28 LYS HA A 28 LYS HDy 1.0 . 4.10 493 310 A 28 LYS HA A 28 LYS HDx 1.0 . 4.10 494 311 A 28 LYS HB2 A 28 LYS HEy 1.0 . 6.16 495 311 A 28 LYS HB3 A 28 LYS HEy 1.0 . 6.16 496 311 A 28 LYS HEx A 28 LYS HB2 1.0 . 6.16 497 311 A 28 LYS HB3 A 28 LYS HEx 1.0 . 6.16 498 312 A 28 LYS HEx A 28 LYS HGx 1.0 . 2.93 499 312 A 28 LYS HEy A 28 LYS HGx 1.0 . 2.93 500 312 A 28 LYS HGy A 28 LYS HEy 1.0 . 2.93 501 312 A 28 LYS HEx A 28 LYS HGy 1.0 . 2.93 502 313 A 29 PHE H A 28 LYS HDy 1.0 . 4.60 503 313 A 29 PHE H A 28 LYS HDx 1.0 . 4.60 504 314 A 29 PHE H A 29 PHE HBy 1.0 . 2.88 505 314 A 29 PHE H A 29 PHE HBx 1.0 . 2.88 506 315 A 30 ASP H A 29 PHE HBy 1.0 . 4.08 507 315 A 30 ASP H A 29 PHE HBx 1.0 . 4.08 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 undefined _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 0 ACE C A 1 LYS N A 1 LYS CA A 1 LYS C 1.0 -135.0 -55.0 PHI 2 2 A 1 LYS N A 1 LYS CA A 1 LYS CB A 1 LYS CG 1.0 -195.0 -155.0 CHI1 3 3 A 1 LYS N A 1 LYS CA A 1 LYS C A 2 PHE N 1.0 25.0 115.0 PSI 4 4 A 1 LYS C A 2 PHE N A 2 PHE CA A 2 PHE C 1.0 -95.0 -75.0 PHI 5 5 A 2 PHE N A 2 PHE CA A 2 PHE CB A 2 PHE CG 1.0 -315.0 -45.0 CHI1 6 6 A 2 PHE N A 2 PHE CA A 2 PHE CB A 2 PHE CG 1.0 -175.0 65.0 CHI1 7 7 A 2 PHE N A 2 PHE CA A 2 PHE CB A 2 PHE CG 1.0 -105.0 235.0 CHI1 8 8 A 2 PHE N A 2 PHE CA A 2 PHE C A 3 GLU N 1.0 35.0 65.0 PSI 9 9 A 2 PHE C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -315.0 -45.0 PHI 10 10 A 2 PHE C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -185.0 75.0 PHI 11 11 A 3 GLU N A 3 GLU CA A 3 GLU CB A 3 GLU CG 1.0 -335.0 -25.0 CHI1 12 12 A 3 GLU N A 3 GLU CA A 3 GLU CB A 3 GLU CG 1.0 -205.0 95.0 CHI1 13 13 A 3 GLU N A 3 GLU CA A 3 GLU C A 4 ASP N 1.0 45.0 195.0 PSI 14 14 A 3 GLU C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -155.0 -45.0 PHI 15 15 A 4 ASP N A 4 ASP CA A 4 ASP CB A 4 ASP CG 1.0 -335.0 -25.0 CHI1 16 16 A 4 ASP N A 4 ASP CA A 4 ASP CB A 4 ASP CG 1.0 -145.0 85.0 CHI1 17 17 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 TRP N 1.0 145.0 195.0 PSI 18 18 A 4 ASP C A 5 TRP N A 5 TRP CA A 5 TRP C 1.0 -185.0 -45.0 PHI 19 19 A 5 TRP N A 5 TRP CA A 5 TRP CB A 5 TRP CG 1.0 25.0 85.0 CHI1 20 20 A 5 TRP N A 5 TRP CA A 5 TRP C A 6 LEU N 1.0 135.0 185.0 PSI 21 21 A 5 TRP C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -315.0 -45.0 PHI 22 22 A 5 TRP C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -185.0 75.0 PHI 23 23 A 6 LEU N A 6 LEU CA A 6 LEU CB A 6 LEU CG 1.0 -225.0 105.0 CHI1 24 24 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 CYS N 1.0 45.0 195.0 PSI 25 25 A 6 LEU C A 7 CYS N A 7 CYS CA A 7 CYS C 1.0 -165.0 -45.0 PHI 26 26 A 7 CYS N A 7 CYS CA A 7 CYS CB A 7 CYS SG 1.0 -205.0 -95.0 CHI1 27 27 A 7 CYS N A 7 CYS CA A 7 CYS C A 8 ASN N 1.0 35.0 195.0 PSI 28 28 A 7 CYS C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -315.0 -45.0 PHI 29 29 A 7 CYS C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -185.0 65.0 PHI 30 30 A 8 ASN N A 8 ASN CA A 8 ASN CB A 8 ASN CG 1.0 -225.0 115.0 CHI1 31 31 A 8 ASN N A 8 ASN CA A 8 ASN CB A 8 ASN CG 1.0 -5.0 345.0 CHI1 32 32 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 LYS N 1.0 -85.0 85.0 PSI 33 33 A 8 ASN C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -315.0 -45.0 PHI 34 34 A 8 ASN C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -185.0 75.0 PHI 35 35 A 9 LYS N A 9 LYS CA A 9 LYS CB A 9 LYS CG 1.0 -335.0 -25.0 CHI1 36 36 A 9 LYS N A 9 LYS CA A 9 LYS CB A 9 LYS CG 1.0 -205.0 95.0 CHI1 37 37 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 CYS N 1.0 -85.0 105.0 PSI 38 38 A 9 LYS C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -315.0 -45.0 PHI 39 39 A 9 LYS C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -185.0 75.0 PHI 40 40 A 10 CYS N A 10 CYS CA A 10 CYS CB A 10 CYS SG 1.0 -335.0 -25.0 CHI1 41 41 A 10 CYS N A 10 CYS CA A 10 CYS CB A 10 CYS SG 1.0 -205.0 85.0 CHI1 42 42 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 CYS N 1.0 -85.0 95.0 PSI 43 43 A 10 CYS C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -315.0 -45.0 PHI 44 44 A 10 CYS C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -185.0 75.0 PHI 45 45 A 11 CYS N A 11 CYS CA A 11 CYS CB A 11 CYS SG 1.0 -335.0 -25.0 CHI1 46 46 A 11 CYS N A 11 CYS CA A 11 CYS CB A 11 CYS SG 1.0 -205.0 85.0 CHI1 47 47 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 LEU N 1.0 -85.0 195.0 PSI 48 48 A 11 CYS C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -315.0 -45.0 PHI 49 49 A 11 CYS C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -185.0 75.0 PHI 50 50 A 12 LEU N A 12 LEU CA A 12 LEU CB A 12 LEU CG 1.0 -225.0 105.0 CHI1 51 51 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 ASN N 1.0 45.0 195.0 PSI 52 52 A 12 LEU C A 13 ASN N A 13 ASN CA A 13 ASN C 1.0 -155.0 -45.0 PHI 53 53 A 13 ASN N A 13 ASN CA A 13 ASN CB A 13 ASN CG 1.0 -225.0 -115.0 CHI1 54 54 A 13 ASN N A 13 ASN CA A 13 ASN C A 14 ASN N 1.0 35.0 195.0 PSI 55 55 A 13 ASN C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 -315.0 -45.0 PHI 56 56 A 13 ASN C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 -185.0 75.0 PHI 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 25.0 195.0 PSI 59 59 A 14 ASN C A 15 PHE N A 15 PHE CA A 15 PHE C 1.0 -165.0 -45.0 PHI 60 60 A 15 PHE N A 15 PHE CA A 15 PHE CB A 15 PHE CG 1.0 -325.0 -35.0 CHI1 61 61 A 15 PHE N A 15 PHE CA A 15 PHE CB A 15 PHE CG 1.0 -205.0 95.0 CHI1 62 62 A 15 PHE N A 15 PHE CA A 15 PHE C A 16 ARG N 1.0 55.0 185.0 PSI 63 63 A 15 PHE C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -165.0 -45.0 PHI 64 64 A 16 ARG N A 16 ARG CA A 16 ARG CB A 16 ARG CG 1.0 -205.0 -105.0 CHI1 65 65 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 LYS N 1.0 -85.0 195.0 PSI 66 66 A 16 ARG C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -315.0 -45.0 PHI 67 67 A 16 ARG C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -185.0 75.0 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 95.0 CHI1 70 70 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 ARG N 1.0 -85.0 125.0 PSI 71 71 A 17 LYS C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -185.0 -45.0 PHI 72 72 A 18 ARG N A 18 ARG CA A 18 ARG CB A 18 ARG CG 1.0 -325.0 -25.0 CHI1 73 73 A 18 ARG N A 18 ARG CA A 18 ARG CB A 18 ARG CG 1.0 -205.0 75.0 CHI1 74 74 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 LEU N 1.0 75.0 195.0 PSI 75 75 A 18 ARG C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -315.0 -45.0 PHI 76 76 A 18 ARG C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -185.0 75.0 PHI 77 77 A 19 LEU N A 19 LEU CA A 19 LEU CB A 19 LEU CG 1.0 -225.0 105.0 CHI1 78 78 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 LYS N 1.0 -85.0 75.0 PSI 79 79 A 19 LEU C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -315.0 -45.0 PHI 80 80 A 19 LEU C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -185.0 75.0 PHI 81 81 A 20 LYS N A 20 LYS CA A 20 LYS CB A 20 LYS CG 1.0 -335.0 -25.0 CHI1 82 82 A 20 LYS N A 20 LYS CA A 20 LYS CB A 20 LYS CG 1.0 -205.0 95.0 CHI1 83 83 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 CYS N 1.0 -85.0 195.0 PSI 84 84 A 20 LYS C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -175.0 -45.0 PHI 85 85 A 21 CYS N A 21 CYS CA A 21 CYS CB A 21 CYS SG 1.0 -205.0 -105.0 CHI1 86 86 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 PHE N 1.0 15.0 205.0 PSI 87 87 A 21 CYS C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -185.0 -45.0 PHI 88 88 A 22 PHE N A 22 PHE CA A 22 PHE CB A 22 PHE CG 1.0 -205.0 -95.0 CHI1 89 89 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 ARG N 1.0 -85.0 95.0 PSI 90 90 A 22 PHE C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -315.0 -45.0 PHI 91 91 A 22 PHE C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -185.0 65.0 PHI 92 92 A 23 ARG N A 23 ARG CA A 23 ARG CB A 23 ARG CG 1.0 -325.0 -25.0 CHI1 93 93 A 23 ARG N A 23 ARG CA A 23 ARG CB A 23 ARG CG 1.0 -205.0 95.0 CHI1 94 94 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 CYS N 1.0 -85.0 65.0 PSI 95 95 A 23 ARG C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 -315.0 -45.0 PHI 96 96 A 23 ARG C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 -185.0 65.0 PHI 97 97 A 24 CYS N A 24 CYS CA A 24 CYS CB A 24 CYS SG 1.0 25.0 325.0 CHI1 98 98 A 24 CYS N A 24 CYS CA A 24 CYS CB A 24 CYS SG 1.0 -205.0 85.0 CHI1 99 99 A 24 CYS N A 24 CYS CA A 24 CYS C A 25 GLY N 1.0 -85.0 85.0 PSI 100 100 A 24 CYS C A 25 GLY N A 25 GLY CA A 25 GLY C 1.0 -315.0 -45.0 PHI 101 101 A 25 GLY N A 25 GLY CA A 25 GLY C A 26 ALA N 1.0 -95.0 95.0 PSI 102 102 A 25 GLY C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -315.0 -45.0 PHI 103 103 A 25 GLY C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -185.0 75.0 PHI 104 104 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 ASP N 1.0 55.0 185.0 PSI 105 105 A 26 ALA C A 27 ASP N A 27 ASP CA A 27 ASP C 1.0 -125.0 -45.0 PHI 106 106 A 27 ASP N A 27 ASP CA A 27 ASP CB A 27 ASP CG 1.0 -215.0 -135.0 CHI1 107 107 A 27 ASP N A 27 ASP CA A 27 ASP C A 28 LYS N 1.0 135.0 185.0 PSI 108 108 A 27 ASP C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 45.0 305.0 PHI 109 109 A 27 ASP C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -185.0 75.0 PHI 110 110 A 28 LYS N A 28 LYS CA A 28 LYS CB A 28 LYS CG 1.0 -335.0 -25.0 CHI1 111 111 A 28 LYS N A 28 LYS CA A 28 LYS CB A 28 LYS CG 1.0 -205.0 95.0 CHI1 112 112 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 PHE N 1.0 -25.0 145.0 PSI 113 113 A 28 LYS C A 29 PHE N A 29 PHE CA A 29 PHE C 1.0 -185.0 -45.0 PHI 114 114 A 29 PHE N A 29 PHE CA A 29 PHE CB A 29 PHE CG 1.0 -205.0 -85.0 CHI1 115 115 A 29 PHE N A 29 PHE CA A 29 PHE C A 30 ASP N 1.0 15.0 195.0 PSI 116 116 A 29 PHE C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -315.0 -45.0 PHI 117 117 A 29 PHE C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -185.0 75.0 PHI 118 118 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_