data_nef_c25096_2mrw 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 PDB 2MRW stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 LYS middle . . 3 A 3 VAL middle . . 4 A 4 HIS middle . . 5 A 5 ARG middle . . 6 A 6 MET middle . . 7 A 7 PRO middle . false 8 A 8 LYS middle . . 9 A 9 GLY middle . false 10 A 10 VAL middle . . 11 A 11 VAL middle . . 12 A 12 LEU middle . . 13 A 13 VAL middle . . 14 A 14 GLY middle . false 15 A 15 LYS middle . . 16 A 16 ALA middle . . 17 A 17 TRP middle . . 18 A 18 GLU middle . . 19 A 19 ILE middle . . 20 A 20 ARG middle . . 21 A 21 ALA middle . . 22 A 22 LYS middle . . 23 A 23 LEU middle . . 24 A 24 LYS middle . . 25 A 25 GLU middle . . 26 A 26 TYR middle . . 27 A 27 GLY middle . false 28 A 28 ARG middle . . 29 A 29 THR middle . . 30 A 30 PHE middle . . 31 A 31 GLN middle . . 32 A 32 TYR middle . . 33 A 33 VAL middle . . 34 A 34 LYS middle . . 35 A 35 ASP middle . . 36 A 36 TRP middle . . 37 A 37 ILE middle . . 38 A 38 SER middle . . 39 A 39 LYS middle . . 40 A 40 PRO end . false 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 MET HA H 1 4.111 0.02 A 1 MET HBx H 1 2.137 0.02 A 1 MET HGx H 1 2.560 0.02 A 2 LYS H H 1 7.980 0.02 A 2 LYS HA H 1 4.494 0.02 A 2 LYS HBy H 1 1.689 0.02 A 2 LYS HBx H 1 1.601 0.02 A 2 LYS HDx H 1 1.365 0.02 A 2 LYS HEx H 1 2.932 0.02 A 2 LYS HGx H 1 1.268 0.02 A 3 VAL H H 1 8.270 0.02 A 3 VAL HA H 1 4.069 0.02 A 3 VAL HB H 1 1.972 0.02 A 3 VAL HG1% H 1 0.852 0.02 A 3 VAL HG2% H 1 0.897 0.02 A 4 HIS H H 1 8.622 0.02 A 4 HIS HA H 1 4.690 0.02 A 4 HIS HBy H 1 3.158 0.02 A 4 HIS HBx H 1 3.076 0.02 A 4 HIS HD2 H 1 7.162 0.02 A 4 HIS HE2 H 1 8.315 0.02 A 5 ARG H H 1 8.451 0.02 A 5 ARG HA H 1 4.319 0.02 A 5 ARG HBy H 1 1.763 0.02 A 5 ARG HBx H 1 1.702 0.02 A 5 ARG HDx H 1 3.153 0.02 A 5 ARG HE H 1 7.206 0.02 A 5 ARG HGx H 1 1.558 0.02 A 6 MET H H 1 8.506 0.02 A 6 MET HA H 1 4.741 0.02 A 6 MET HBy H 1 2.009 0.02 A 6 MET HBx H 1 1.916 0.02 A 6 MET HGy H 1 2.581 0.02 A 6 MET HGx H 1 2.522 0.02 A 7 PRO HA H 1 4.401 0.02 A 7 PRO HBy H 1 2.277 0.02 A 7 PRO HBx H 1 1.990 0.02 A 7 PRO HDy H 1 3.823 0.02 A 7 PRO HDx H 1 3.599 0.02 A 7 PRO HGx H 1 1.874 0.02 A 8 LYS H H 1 8.396 0.02 A 8 LYS HA H 1 4.233 0.02 A 8 LYS HBy H 1 1.799 0.02 A 8 LYS HBx H 1 1.755 0.02 A 8 LYS HDx H 1 1.668 0.02 A 8 LYS HEy H 1 2.989 0.02 A 8 LYS HEx H 1 2.964 0.02 A 8 LYS HGx H 1 1.434 0.02 A 9 GLY H H 1 8.417 0.02 A 9 GLY HAx H 1 3.917 0.02 A 10 VAL H H 1 7.860 0.02 A 10 VAL HA H 1 4.123 0.02 A 10 VAL HB H 1 1.987 0.02 A 10 VAL HG2% H 1 0.860 0.02 A 11 VAL H H 1 8.273 0.02 A 11 VAL HA H 1 4.086 0.02 A 11 VAL HB H 1 1.972 0.02 A 11 VAL HG1% H 1 0.898 0.02 A 11 VAL HG2% H 1 0.852 0.02 A 12 LEU H H 1 8.341 0.02 A 12 LEU HA H 1 4.385 0.02 A 12 LEU HBx H 1 1.522 0.02 A 12 LEU HD1% H 1 0.796 0.02 A 12 LEU HD2% H 1 0.757 0.02 A 12 LEU HG H 1 1.417 0.02 A 13 VAL H H 1 8.102 0.02 A 13 VAL HA H 1 4.149 0.02 A 13 VAL HB H 1 2.019 0.02 A 13 VAL HG2% H 1 0.880 0.02 A 14 GLY H H 1 8.418 0.02 A 14 GLY HAx H 1 3.957 0.02 A 15 LYS H H 1 8.308 0.02 A 15 LYS HA H 1 4.169 0.02 A 15 LYS HBy H 1 1.543 0.02 A 15 LYS HBx H 1 1.506 0.02 A 15 LYS HDx H 1 1.364 0.02 A 15 LYS HEx H 1 2.939 0.02 A 15 LYS HGx H 1 1.336 0.02 A 16 ALA H H 1 8.374 0.02 A 16 ALA HA H 1 4.131 0.02 A 16 ALA HB% H 1 1.361 0.02 A 17 TRP H H 1 7.811 0.02 A 17 TRP HA H 1 4.490 0.02 A 17 TRP HBx H 1 3.263 0.02 A 17 TRP HBy H 1 3.265 0.02 A 17 TRP HD1 H 1 7.248 0.02 A 17 TRP HE1 H 1 10.174 0.02 A 17 TRP HE3 H 1 7.532 0.02 A 17 TRP HH2 H 1 7.212 0.02 A 17 TRP HZ2 H 1 7.471 0.02 A 17 TRP HZ3 H 1 7.124 0.02 A 18 GLU H H 1 7.810 0.02 A 18 GLU HA H 1 4.046 0.02 A 18 GLU HBx H 1 1.841 0.02 A 18 GLU HBy H 1 1.890 0.02 A 18 GLU HGx H 1 1.911 0.02 A 18 GLU HGy H 1 1.959 0.02 A 19 ILE H H 1 7.907 0.02 A 19 ILE HA H 1 3.935 0.02 A 19 ILE HB H 1 1.834 0.02 A 19 ILE HD1% H 1 0.820 0.02 A 19 ILE HG1x H 1 1.119 0.02 A 19 ILE HG2% H 1 0.848 0.02 A 20 ARG H H 1 8.041 0.02 A 20 ARG HA H 1 4.135 0.02 A 20 ARG HBy H 1 1.799 0.02 A 20 ARG HBx H 1 1.758 0.02 A 20 ARG HDx H 1 3.099 0.02 A 20 ARG HE H 1 7.210 0.02 A 20 ARG HGy H 1 1.622 0.02 A 20 ARG HGx H 1 1.551 0.02 A 21 ALA H H 1 8.045 0.02 A 21 ALA HA H 1 4.149 0.02 A 21 ALA HB% H 1 1.330 0.02 A 22 LYS H H 1 8.114 0.02 A 22 LYS HA H 1 4.167 0.02 A 22 LYS HBy H 1 1.750 0.02 A 22 LYS HBx H 1 1.639 0.02 A 22 LYS HDx H 1 1.375 0.02 A 22 LYS HEx H 1 2.955 0.02 A 22 LYS HGx H 1 1.329 0.02 A 23 LEU H H 1 8.005 0.02 A 23 LEU HA H 1 4.239 0.02 A 23 LEU HBy H 1 1.663 0.02 A 23 LEU HBx H 1 1.547 0.02 A 23 LEU HD1% H 1 0.869 0.02 A 23 LEU HD2% H 1 0.823 0.02 A 23 LEU HG H 1 1.374 0.02 A 24 LYS H H 1 8.010 0.02 A 24 LYS HA H 1 4.198 0.02 A 24 LYS HBy H 1 1.804 0.02 A 24 LYS HBx H 1 1.770 0.02 A 24 LYS HDx H 1 1.643 0.02 A 24 LYS HEx H 1 2.939 0.02 A 24 LYS HGx H 1 1.395 0.02 A 25 GLU H H 1 8.104 0.02 A 25 GLU HA H 1 4.181 0.02 A 25 GLU HBy H 1 1.865 0.02 A 25 GLU HBx H 1 1.803 0.02 A 25 GLU HGx H 1 2.112 0.02 A 26 TYR H H 1 8.086 0.02 A 26 TYR HA H 1 4.506 0.02 A 26 TYR HBy H 1 2.992 0.02 A 26 TYR HBx H 1 2.890 0.02 A 26 TYR HDx H 1 7.063 0.02 A 26 TYR HEx H 1 6.764 0.02 A 27 GLY H H 1 8.264 0.02 A 27 GLY HAy H 1 3.902 0.02 A 27 GLY HAx H 1 3.864 0.02 A 28 ARG H H 1 8.080 0.02 A 28 ARG HA H 1 4.336 0.02 A 28 ARG HBy H 1 1.802 0.02 A 28 ARG HBx H 1 1.738 0.02 A 28 ARG HDx H 1 3.134 0.02 A 28 ARG HE H 1 7.168 0.02 A 28 ARG HGx H 1 1.558 0.02 A 29 THR H H 1 8.053 0.02 A 29 THR HA H 1 4.265 0.02 A 29 THR HB H 1 4.132 0.02 A 29 THR HG2% H 1 1.102 0.02 A 30 PHE H H 1 8.154 0.02 A 30 PHE HA H 1 4.491 0.02 A 30 PHE HBy H 1 3.062 0.02 A 30 PHE HBx H 1 2.928 0.02 A 30 PHE HDx H 1 7.105 0.02 A 30 PHE HEx H 1 7.220 0.02 A 31 GLN H H 1 8.157 0.02 A 31 GLN HA H 1 4.181 0.02 A 31 GLN HBy H 1 1.932 0.02 A 31 GLN HBx H 1 1.874 0.02 A 31 GLN HE2x H 1 6.801 0.02 A 31 GLN HE2y H 1 7.399 0.02 A 31 GLN HGy H 1 2.172 0.02 A 31 GLN HGx H 1 2.111 0.02 A 32 TYR H H 1 8.146 0.02 A 32 TYR HA H 1 4.529 0.02 A 32 TYR HBy H 1 2.980 0.02 A 32 TYR HBx H 1 2.913 0.02 A 32 TYR HDy H 1 7.077 0.02 A 32 TYR HEy H 1 6.793 0.02 A 33 VAL H H 1 7.885 0.02 A 33 VAL HA H 1 3.949 0.02 A 33 VAL HB H 1 1.937 0.02 A 33 VAL HG2% H 1 0.831 0.02 A 34 LYS H H 1 8.189 0.02 A 34 LYS HA H 1 4.104 0.02 A 34 LYS HBx H 1 1.608 0.02 A 34 LYS HEx H 1 2.862 0.02 A 34 LYS HEy H 1 2.885 0.02 A 34 LYS HGx H 1 1.265 0.02 A 35 ASP H H 1 8.168 0.02 A 35 ASP HA H 1 4.528 0.02 A 35 ASP HBx H 1 2.614 0.02 A 36 TRP H H 1 7.922 0.02 A 36 TRP HA H 1 4.591 0.02 A 36 TRP HBy H 1 3.240 0.02 A 36 TRP HBx H 1 3.213 0.02 A 36 TRP HD1 H 1 7.178 0.02 A 36 TRP HE1 H 1 10.092 0.02 A 36 TRP HE3 H 1 7.569 0.02 A 36 TRP HH2 H 1 7.195 0.02 A 36 TRP HZ2 H 1 7.455 0.02 A 36 TRP HZ3 H 1 7.110 0.02 A 37 ILE H H 1 7.779 0.02 A 37 ILE HA H 1 4.051 0.02 A 37 ILE HB H 1 1.708 0.02 A 37 ILE HD1% H 1 0.764 0.02 A 37 ILE HG1y H 1 1.300 0.02 A 37 ILE HG1x H 1 1.005 0.02 A 37 ILE HG2% H 1 0.787 0.02 A 38 SER H H 1 8.130 0.02 A 38 SER HA H 1 4.315 0.02 A 38 SER HBx H 1 3.770 0.02 A 39 LYS H H 1 8.151 0.02 A 39 LYS HA H 1 4.563 0.02 A 39 LYS HBy H 1 1.807 0.02 A 39 LYS HBx H 1 1.687 0.02 A 39 LYS HDx H 1 1.653 0.02 A 39 LYS HEy H 1 2.963 0.02 A 39 LYS HEx H 1 2.938 0.02 A 39 LYS HGx H 1 1.417 0.02 A 40 PRO HA H 1 4.199 0.02 A 40 PRO HBy H 1 2.180 0.02 A 40 PRO HBx H 1 1.931 0.02 A 40 PRO HDy H 1 3.695 0.02 A 40 PRO HDx H 1 3.578 0.02 A 40 PRO HGx H 1 1.878 0.02 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 33 VAL H A 34 LYS H 1.0 . 3.00 2 2 A 35 ASP H A 36 TRP H 1.0 . 3.00 3 3 A 5 ARG HA A 6 MET HA 1.0 . 5.50 4 4 A 24 LYS HA A 28 ARG HA 1.0 . 5.50 5 5 A 34 LYS H A 31 GLN HA 1.0 . 3.50 6 6 A 25 GLU HA A 26 TYR HA 1.0 . 5.50 7 7 A 31 GLN HA A 32 TYR HA 1.0 . 5.50 8 8 A 18 GLU HA A 21 ALA HA 1.0 . 5.50 9 9 A 18 GLU HA A 19 ILE HA 1.0 . 5.50 10 10 A 19 ILE HA A 20 ARG HA 1.0 . 5.50 11 11 A 24 LYS HA A 27 GLY HAy 1.0 . 5.50 12 12 A 24 LYS HA A 27 GLY HAx 1.0 . 5.50 13 13 A 16 ALA HA A 19 ILE HG2% 1.0 . 5.50 14 14 A 16 ALA H A 16 ALA HB% 1.0 . 3.74 15 15 A 11 VAL HA A 12 LEU H 1.0 . 3.40 16 16 A 10 VAL HA A 11 VAL H 1.0 . 3.38 17 17 A 11 VAL H A 12 LEU HA 1.0 . 4.73 18 18 A 34 LYS H A 33 VAL HG2% 1.0 . 4.96 19 19 A 34 LYS H A 33 VAL HB 1.0 . 4.40 20 20 A 29 THR HA A 30 PHE H 1.0 . 3.56 21 21 A 12 LEU HA A 13 VAL H 1.0 . 3.38 22 22 A 13 VAL H A 13 VAL HG2% 1.0 . 4.20 23 23 A 21 ALA H A 21 ALA HB% 1.0 . 3.36 24 24 A 10 VAL H A 10 VAL HG2% 1.0 . 3.87 25 25 A 33 VAL H A 33 VAL HG2% 1.0 . 4.36 26 26 A 16 ALA HB% A 17 TRP H 1.0 . 5.50 27 27 A 26 TYR HA A 26 TYR HDy 1.0 . 4.69 28 28 A 32 TYR HA A 32 TYR HDy 1.0 . 5.29 29 29 A 30 PHE H A 30 PHE HDy 1.0 . 5.50 30 30 A 30 PHE HDy A 31 GLN H 1.0 . 5.50 31 31 A 32 TYR HDy A 32 TYR H 1.0 . 5.50 32 32 A 19 ILE HA A 19 ILE HD1% 1.0 . 4.91 33 33 A 3 VAL H A 3 VAL HB 1.0 . 3.82 34 34 A 19 ILE H A 19 ILE HB 1.0 . 4.16 35 35 A 23 LEU HD1% A 23 LEU HBy 1.0 . 3.69 36 36 A 23 LEU HD2% A 23 LEU HBy 1.0 . 3.48 37 37 A 23 LEU HD1% A 23 LEU HBx 1.0 . 3.69 38 38 A 12 LEU H A 11 VAL HG1% 1.0 . 5.50 39 39 A 23 LEU HD1% A 23 LEU H 1.0 . 5.08 40 40 A 3 VAL H A 3 VAL HG1% 1.0 . 4.32 41 41 A 11 VAL H A 10 VAL HG2% 1.0 . 4.93 42 42 A 10 VAL HA A 10 VAL HG2% 1.0 . 4.15 43 43 A 23 LEU HD1% A 23 LEU HA 1.0 . 4.76 44 44 A 23 LEU HD2% A 23 LEU HA 1.0 . 5.50 45 45 A 23 LEU HD2% A 23 LEU HBx 1.0 . 3.48 46 46 A 37 ILE HA A 37 ILE HD1% 1.0 . 5.50 47 47 A 37 ILE HD1% A 37 ILE HB 1.0 . 3.99 48 48 A 3 VAL HA A 7 PRO HBy 1.0 . 5.34 49 48 A 3 VAL HA A 7 PRO HBx 1.0 . 5.34 50 49 A 3 VAL HG1% A 7 PRO HBy 1.0 . 5.34 51 49 A 3 VAL HG1% A 7 PRO HBx 1.0 . 5.34 52 50 A 3 VAL HG2% A 4 HIS HBy 1.0 . 4.58 53 50 A 3 VAL HG2% A 4 HIS HBx 1.0 . 4.58 54 51 A 3 VAL HG2% A 7 PRO HBy 1.0 . 5.34 55 51 A 7 PRO HBx A 3 VAL HG2% 1.0 . 5.34 56 52 A 3 VAL HG2% A 7 PRO HGx 1.0 . 4.02 57 52 A 3 VAL HG2% A 7 PRO HGy 1.0 . 4.02 58 53 A 5 ARG HBx A 6 MET HBy 1.0 . 4.53 59 53 A 5 ARG HBy A 6 MET HBy 1.0 . 4.53 60 53 A 6 MET HBx A 5 ARG HBy 1.0 . 4.53 61 53 A 5 ARG HBx A 6 MET HBx 1.0 . 4.53 62 54 A 6 MET HBx A 7 PRO HDy 1.0 . 4.50 63 54 A 6 MET HBy A 7 PRO HDy 1.0 . 4.50 64 54 A 7 PRO HDx A 6 MET HBy 1.0 . 4.50 65 54 A 6 MET HBx A 7 PRO HDx 1.0 . 4.50 66 55 A 8 LYS HA A 9 GLY HAx 1.0 . 5.34 67 55 A 8 LYS HA A 9 GLY HAy 1.0 . 5.34 68 56 A 10 VAL HA A 9 GLY HAx 1.0 . 5.34 69 56 A 10 VAL HA A 9 GLY HAy 1.0 . 5.34 70 57 A 10 VAL HG2% A 9 GLY HAx 1.0 . 5.34 71 57 A 10 VAL HG2% A 9 GLY HAy 1.0 . 5.34 72 58 A 11 VAL H A 9 GLY HAx 1.0 . 5.34 73 58 A 11 VAL H A 9 GLY HAy 1.0 . 5.34 74 59 A 12 LEU H A 12 LEU HBx 1.0 . 3.66 75 59 A 12 LEU H A 12 LEU HBy 1.0 . 3.66 76 60 A 17 TRP H A 17 TRP HBx 1.0 . 3.49 77 60 A 17 TRP H A 17 TRP HBy 1.0 . 3.49 78 61 A 19 ILE H A 18 GLU HBx 1.0 . 3.95 79 61 A 19 ILE H A 18 GLU HBy 1.0 . 3.95 80 62 A 19 ILE HG2% A 19 ILE HG1x 1.0 . 3.22 81 62 A 19 ILE HG2% A 19 ILE HG1y 1.0 . 3.22 82 63 A 20 ARG H A 20 ARG HBy 1.0 . 2.99 83 63 A 20 ARG H A 20 ARG HBx 1.0 . 2.99 84 64 A 23 LEU HD1% A 22 LYS HGx 1.0 . 4.22 85 64 A 23 LEU HD1% A 22 LYS HGy 1.0 . 4.22 86 65 A 23 LEU H A 23 LEU HBx 1.0 . 3.34 87 65 A 23 LEU H A 23 LEU HBy 1.0 . 3.34 88 66 A 23 LEU HD1% A 23 LEU HBx 1.0 . 3.16 89 66 A 23 LEU HD1% A 23 LEU HBy 1.0 . 3.16 90 67 A 23 LEU HD2% A 23 LEU HBx 1.0 . 2.81 91 67 A 23 LEU HD2% A 23 LEU HBy 1.0 . 2.81 92 68 A 24 LYS H A 24 LYS HBy 1.0 . 3.23 93 68 A 24 LYS H A 24 LYS HBx 1.0 . 3.23 94 69 A 25 GLU H A 25 GLU HBy 1.0 . 3.69 95 69 A 25 GLU H A 25 GLU HBx 1.0 . 3.69 96 70 A 26 TYR H A 26 TYR HBy 1.0 . 3.46 97 70 A 26 TYR H A 26 TYR HBx 1.0 . 3.46 98 71 A 29 THR H A 27 GLY HAy 1.0 . 5.34 99 71 A 27 GLY HAx A 29 THR H 1.0 . 5.34 100 72 A 29 THR HA A 27 GLY HAy 1.0 . 5.34 101 72 A 29 THR HA A 27 GLY HAx 1.0 . 5.34 102 73 A 30 PHE H A 28 ARG HBy 1.0 . 5.34 103 73 A 30 PHE H A 28 ARG HBx 1.0 . 5.34 104 74 A 31 GLN H A 31 GLN HBy 1.0 . 3.59 105 74 A 31 GLN H A 31 GLN HBx 1.0 . 3.59 106 75 A 32 TYR H A 32 TYR HBy 1.0 . 3.37 107 75 A 32 TYR H A 32 TYR HBx 1.0 . 3.37 108 76 A 32 TYR HA A 35 ASP HBx 1.0 . 4.40 109 76 A 32 TYR HA A 35 ASP HBy 1.0 . 4.40 110 77 A 32 TYR HBy A 35 ASP HBx 1.0 . 5.18 111 77 A 32 TYR HBx A 35 ASP HBx 1.0 . 5.18 112 77 A 35 ASP HBy A 32 TYR HBy 1.0 . 5.18 113 77 A 32 TYR HBx A 35 ASP HBy 1.0 . 5.18 114 78 A 34 LYS H A 34 LYS HBx 1.0 . 3.29 115 78 A 34 LYS H A 34 LYS HBy 1.0 . 3.29 116 79 A 34 LYS HBx A 34 LYS HEx 1.0 . 4.76 117 79 A 34 LYS HBy A 34 LYS HEx 1.0 . 4.76 118 79 A 34 LYS HEy A 34 LYS HBx 1.0 . 4.76 119 79 A 34 LYS HBy A 34 LYS HEy 1.0 . 4.76 120 80 A 37 ILE HG2% A 37 ILE HG1y 1.0 . 3.70 121 80 A 37 ILE HG2% A 37 ILE HG1x 1.0 . 3.70 122 81 A 38 SER HBy A 40 PRO HDy 1.0 . 4.76 123 81 A 38 SER HBx A 40 PRO HDy 1.0 . 4.76 124 81 A 40 PRO HDx A 38 SER HBx 1.0 . 4.76 125 81 A 38 SER HBy A 40 PRO HDx 1.0 . 4.76 126 82 A 35 ASP H A 31 GLN HA 1.0 . 4.50 127 83 A 33 VAL H A 32 TYR HA 1.0 . 3.50 128 84 A 34 LYS H A 32 TYR HA 1.0 . 4.50 129 85 A 35 ASP H A 32 TYR HA 1.0 . 3.50 130 86 A 34 LYS H A 33 VAL HA 1.0 . 3.50 131 87 A 35 ASP H A 33 VAL HA 1.0 . 4.40 132 88 A 36 TRP H A 33 VAL HA 1.0 . 3.40 133 89 A 35 ASP H A 34 LYS HA 1.0 . 3.50 134 90 A 36 TRP H A 34 LYS HA 1.0 . 4.40 135 91 A 36 TRP H A 35 ASP HA 1.0 . 3.50 136 92 A 33 VAL H A 32 TYR H 1.0 . 3.00 137 93 A 16 ALA H A 15 LYS HA 1.0 . 3.50 138 94 A 17 TRP H A 15 LYS HA 1.0 . 4.40 139 95 A 15 LYS HA A 18 GLU H 1.0 . 3.40 140 96 A 16 ALA HA A 17 TRP H 1.0 . 3.50 141 97 A 16 ALA HA A 18 GLU H 1.0 . 4.40 142 98 A 16 ALA HA A 19 ILE H 1.0 . 3.40 143 99 A 16 ALA HA A 20 ARG H 1.0 . 4.20 144 100 A 16 ALA HA A 19 ILE HB 1.0 . 4.40 145 101 A 16 ALA H A 17 TRP H 1.0 . 3.00 146 102 A 18 GLU H A 17 TRP HA 1.0 . 3.50 147 103 A 19 ILE H A 17 TRP HA 1.0 . 4.40 148 104 A 18 GLU HA A 19 ILE H 1.0 . 3.50 149 105 A 18 GLU HA A 20 ARG H 1.0 . 4.40 150 106 A 18 GLU HA A 21 ALA H 1.0 . 3.40 151 107 A 18 GLU HA A 22 LYS H 1.0 . 4.20 152 108 A 19 ILE H A 18 GLU H 1.0 . 3.00 153 109 A 19 ILE HA A 20 ARG H 1.0 . 3.50 154 110 A 19 ILE HA A 21 ALA H 1.0 . 4.40 155 111 A 19 ILE HA A 22 LYS H 1.0 . 3.40 156 112 A 19 ILE HA A 23 LEU H 1.0 . 4.20 157 113 A 19 ILE H A 20 ARG H 1.0 . 3.00 158 114 A 20 ARG HA A 21 ALA H 1.0 . 3.50 159 115 A 20 ARG HA A 22 LYS H 1.0 . 4.40 160 116 A 20 ARG HA A 23 LEU H 1.0 . 3.40 161 117 A 20 ARG HA A 24 LYS H 1.0 . 4.20 162 118 A 21 ALA HA A 22 LYS H 1.0 . 3.50 163 119 A 21 ALA HA A 23 LEU H 1.0 . 4.40 164 120 A 21 ALA HA A 24 LYS H 1.0 . 3.40 165 121 A 21 ALA HA A 25 GLU H 1.0 . 4.20 166 122 A 21 ALA H A 22 LYS H 1.0 . 3.00 167 123 A 23 LEU H A 22 LYS HA 1.0 . 3.50 168 124 A 24 LYS H A 22 LYS HA 1.0 . 4.40 169 125 A 25 GLU H A 22 LYS HA 1.0 . 3.40 170 126 A 26 TYR H A 22 LYS HA 1.0 . 4.20 171 127 A 23 LEU H A 22 LYS H 1.0 . 3.00 172 128 A 23 LEU HA A 24 LYS H 1.0 . 3.50 173 129 A 23 LEU HA A 25 GLU H 1.0 . 4.40 174 130 A 23 LEU HA A 26 TYR H 1.0 . 3.40 175 131 A 23 LEU HA A 27 GLY H 1.0 . 4.20 176 132 A 24 LYS HA A 25 GLU H 1.0 . 3.50 177 133 A 24 LYS HA A 26 TYR H 1.0 . 4.40 178 134 A 24 LYS HA A 27 GLY H 1.0 . 3.40 179 135 A 24 LYS H A 25 GLU H 1.0 . 3.00 180 136 A 25 GLU HA A 26 TYR H 1.0 . 3.50 181 137 A 25 GLU HA A 27 GLY H 1.0 . 4.40 182 138 A 26 TYR HA A 27 GLY H 1.0 . 3.50 183 139 A 26 TYR H A 27 GLY H 1.0 . 3.00 184 140 A 18 GLU HA A 21 ALA HB% 1.0 . 3.40 185 141 A 34 LYS H A 35 ASP H 1.0 . 3.00 186 142 A 16 ALA H A 15 LYS H 1.0 . 3.00 187 143 A 17 TRP H A 18 GLU H 1.0 . 3.00 188 144 A 21 ALA H A 20 ARG H 1.0 . 3.00 189 145 A 23 LEU H A 24 LYS H 1.0 . 3.00 190 146 A 25 GLU H A 26 TYR H 1.0 . 3.00 191 147 A 15 LYS HA A 18 GLU HBx 1.0 . 4.31 192 147 A 18 GLU HBy A 15 LYS HA 1.0 . 4.31 193 148 A 18 GLU HBx A 22 LYS HBy 1.0 . 4.65 194 148 A 18 GLU HBy A 22 LYS HBy 1.0 . 4.65 195 148 A 22 LYS HBx A 18 GLU HBx 1.0 . 4.65 196 148 A 18 GLU HBy A 22 LYS HBx 1.0 . 4.65 197 149 A 19 ILE HA A 22 LYS HBy 1.0 . 4.31 198 149 A 19 ILE HA A 22 LYS HBx 1.0 . 4.31 199 150 A 20 ARG HA A 23 LEU HBx 1.0 . 4.31 200 150 A 20 ARG HA A 23 LEU HBy 1.0 . 4.31 201 151 A 21 ALA HA A 24 LYS HBy 1.0 . 4.31 202 151 A 21 ALA HA A 24 LYS HBx 1.0 . 4.31 203 152 A 22 LYS H A 22 LYS HBy 1.0 . 2.91 204 152 A 22 LYS H A 22 LYS HBx 1.0 . 2.91 205 153 A 22 LYS HA A 25 GLU HBy 1.0 . 4.31 206 153 A 25 GLU HBx A 22 LYS HA 1.0 . 4.31 207 154 A 22 LYS HBx A 22 LYS HDx 1.0 . 3.21 208 154 A 22 LYS HDy A 22 LYS HBy 1.0 . 3.21 209 154 A 22 LYS HBx A 22 LYS HDy 1.0 . 3.21 210 154 A 22 LYS HBy A 22 LYS HDx 1.0 . 3.21 211 155 A 23 LEU HD1% A 22 LYS HBy 1.0 . 3.82 212 155 A 23 LEU HD1% A 22 LYS HBx 1.0 . 3.82 213 156 A 23 LEU HA A 26 TYR HBy 1.0 . 4.31 214 156 A 23 LEU HA A 26 TYR HBx 1.0 . 4.31 215 157 A 25 GLU HA A 28 ARG HBy 1.0 . 4.31 216 157 A 25 GLU HA A 28 ARG HBx 1.0 . 4.31 217 158 A 31 GLN HA A 34 LYS HBx 1.0 . 4.40 218 158 A 31 GLN HA A 34 LYS HBy 1.0 . 4.40 219 159 A 33 VAL HA A 36 TRP HBy 1.0 . 4.31 220 159 A 33 VAL HA A 36 TRP HBx 1.0 . 4.31 stop_ save_