data_nef_c19180_2m7c 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 1L2Y PDB 2JOF PDB 2LDJ PDB 2LL5 PDB 3UC7 PDB 3UC8 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 7 AIB C 1 8 ALA N 1 16 ASP C 1 17 DAL N 1 6 ASP C 1 7 AIB N 1 17 DAL C 1 18 GLY N 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 1 ARG start . . 2 A 2 PRO middle . false 3 A 3 PRO middle . false 4 A 4 PRO middle . false 5 A 5 SER middle . . 6 A 6 ASP middle . . 7 A 7 AIB middle . . 8 A 8 ALA middle . . 9 A 9 ALA middle . . 10 A 10 TYR middle . . 11 A 11 ALA middle . . 12 A 12 GLN middle . . 13 A 13 TRP middle . . 14 A 14 LEU middle . . 15 A 15 ALA middle . . 16 A 16 ASP middle . . 17 A 17 DAL middle . . 18 A 18 GLY middle . false 19 A 19 TRP middle . . 20 A 20 ALA middle . . 21 A 21 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ARG HA H 1 4.509 0.01 A 1 ARG HB2 H 1 1.979 0.01 A 1 ARG HB3 H 1 1.821 0.01 A 1 ARG HDx H 1 3.173 0.01 A 1 ARG HDy H 1 3.173 0.01 A 1 ARG HE H 1 7.421 0.01 A 1 ARG HG2 H 1 1.936 0.01 A 1 ARG HG3 H 1 1.645 0.01 A 2 PRO HA H 1 4.006 0.01 A 2 PRO HB2 H 1 1.724 0.01 A 2 PRO HB3 H 1 2.422 0.01 A 2 PRO HD2 H 1 3.526 0.01 A 2 PRO HD3 H 1 3.811 0.01 A 2 PRO HG2 H 1 2.101 0.01 A 2 PRO HG3 H 1 2.007 0.01 A 3 PRO HA H 1 2.262 0.01 A 3 PRO HB2 H 1 1.115 0.01 A 3 PRO HB3 H 1 -0.07 0.01 A 3 PRO HD2 H 1 3.237 0.01 A 3 PRO HD3 H 1 2.548 0.01 A 3 PRO HG2 H 1 1.454 0.01 A 3 PRO HG3 H 1 1.646 0.01 A 4 PRO HA H 1 4.336 0.01 A 4 PRO HB2 H 1 1.956 0.01 A 4 PRO HB3 H 1 2.164 0.01 A 4 PRO HD2 H 1 2.711 0.01 A 4 PRO HD3 H 1 3.054 0.01 A 4 PRO HG2 H 1 1.794 0.01 A 4 PRO HG3 H 1 1.735 0.01 A 5 SER H H 1 8.229 0.02 A 5 SER HA H 1 4.189 0.01 A 5 SER HB2 H 1 3.837 0.01 A 5 SER HB3 H 1 3.764 0.01 A 6 ASP H H 1 7.852 0.02 A 6 ASP HA H 1 4.511 0.01 A 6 ASP HB2 H 1 2.716 0.01 A 6 ASP HB3 H 1 2.618 0.01 A 7 AIB H H 1 8.769 0.02 A 8 ALA H H 1 8.338 0.02 A 8 ALA HA H 1 4.239 0.01 A 8 ALA HB% H 1 1.500 0.01 A 9 ALA H H 1 8.272 0.01 A 9 ALA HA H 1 4.474 0.01 A 9 ALA HB% H 1 1.542 0.01 A 10 TYR H H 1 8.545 0.02 A 10 TYR HA H 1 3.931 0.01 A 10 TYR HB2 H 1 3.183 0.01 A 10 TYR HB3 H 1 3.119 0.01 A 10 TYR HDx H 1 7.011 0.01 A 10 TYR HDy H 1 7.011 0.01 A 10 TYR HEx H 1 6.754 0.01 A 10 TYR HEy H 1 6.754 0.01 A 11 ALA H H 1 8.417 0.02 A 11 ALA HA H 1 4.125 0.01 A 11 ALA HB% H 1 1.585 0.01 A 12 GLN H H 1 8.164 0.02 A 12 GLN HA H 1 3.955 0.01 A 12 GLN HB2 H 1 2.181 0.01 A 12 GLN HB3 H 1 2.100 0.01 A 12 GLN HE21 H 1 8.027 0.01 A 12 GLN HE22 H 1 7.048 0.01 A 12 GLN HGx H 1 2.407 0.01 A 12 GLN HGy H 1 2.407 0.01 A 13 TRP H H 1 7.964 0.02 A 13 TRP HA H 1 4.120 0.01 A 13 TRP HB2 H 1 2.997 0.01 A 13 TRP HB3 H 1 3.515 0.01 A 13 TRP HD1 H 1 6.752 0.01 A 13 TRP HE1 H 1 9.214 0.01 A 13 TRP HE3 H 1 6.817 0.01 A 13 TRP HH2 H 1 6.530 0.01 A 13 TRP HZ2 H 1 6.093 0.01 A 13 TRP HZ3 H 1 6.876 0.01 A 14 LEU H H 1 8.458 0.02 A 14 LEU HA H 1 3.245 0.01 A 14 LEU HB2 H 1 1.725 0.01 A 14 LEU HB3 H 1 1.433 0.01 A 14 LEU HD1% H 1 0.940 0.01 A 14 LEU HD2% H 1 0.880 0.01 A 14 LEU HG H 1 1.512 0.01 A 15 ALA H H 1 7.924 0.02 A 15 ALA HA H 1 3.991 0.01 A 15 ALA HB% H 1 1.466 0.01 A 16 ASP H H 1 8.099 0.02 A 16 ASP HA H 1 4.454 0.01 A 16 ASP HB2 H 1 2.711 0.01 A 16 ASP HB3 H 1 2.801 0.01 A 17 DAL H H 1 7.290 0.02 A 17 DAL HA H 1 4.328 0.01 A 17 DAL HB% H 1 1.225 0.01 A 18 GLY H H 1 8.187 0.01 A 18 GLY HA2 H 1 2.807 0.01 A 18 GLY HA3 H 1 0.645 0.01 A 19 TRP H H 1 8.767 0.02 A 19 TRP HA H 1 4.627 0.01 A 19 TRP HB2 H 1 3.517 0.01 A 19 TRP HB3 H 1 3.166 0.01 A 19 TRP HD1 H 1 7.571 0.01 A 19 TRP HE1 H 1 10.53 0.01 A 19 TRP HE3 H 1 7.849 0.01 A 19 TRP HH2 H 1 7.345 0.01 A 19 TRP HZ2 H 1 7.584 0.01 A 19 TRP HZ3 H 1 7.243 0.01 A 20 ALA H H 1 7.851 0.02 A 20 ALA HA H 1 4.498 0.01 A 20 ALA HB% H 1 1.406 0.01 A 21 SER H H 1 7.580 0.02 A 21 SER HA H 1 4.047 0.01 A 21 SER HBx H 1 3.469 0.01 A 21 SER HBy H 1 3.861 0.01 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 10 TYR HEy A 10 TYR HDy 1.0 1.90 2.98 2 1 A 10 TYR HDx A 10 TYR HEx 1.0 1.90 2.98 3 1 A 10 TYR HEx A 10 TYR HDy 1.0 1.90 2.98 4 1 A 10 TYR HDx A 10 TYR HEy 1.0 1.90 2.98 5 2 A 10 TYR HDy A 10 TYR HB2 1.0 2.23 3.13 6 2 A 10 TYR HB3 A 10 TYR HDx 1.0 2.23 3.13 7 2 A 10 TYR HDx A 10 TYR HB2 1.0 2.23 3.13 8 2 A 10 TYR HB3 A 10 TYR HDy 1.0 2.23 3.13 9 3 A 10 TYR H A 10 TYR HB2 1.0 2.27 2.81 10 3 A 10 TYR HB3 A 10 TYR H 1.0 2.27 2.81 11 4 A 10 TYR H A 10 TYR HB2 1.0 2.36 2.98 12 4 A 10 TYR HB3 A 10 TYR H 1.0 2.36 2.98 13 5 A 10 TYR HDy A 10 TYR HB2 1.0 2.39 3.40 14 5 A 10 TYR HB3 A 10 TYR HDx 1.0 2.39 3.40 15 5 A 10 TYR HDx A 10 TYR HB2 1.0 2.39 3.40 16 5 A 10 TYR HB3 A 10 TYR HDy 1.0 2.39 3.40 17 6 A 10 TYR HA A 10 TYR HB2 1.0 2.55 3.32 18 6 A 10 TYR HB3 A 10 TYR HA 1.0 2.55 3.32 19 7 A 10 TYR HA A 10 TYR HB2 1.0 2.34 3.03 20 7 A 10 TYR HB3 A 10 TYR HA 1.0 2.34 3.03 21 8 A 10 TYR HA A 10 TYR HDx 1.0 2.67 3.90 22 9 A 10 TYR H A 10 TYR HA 1.0 2.69 3.57 23 10 A 10 TYR H A 11 ALA H 1.0 2.41 2.92 24 11 A 11 ALA H A 10 TYR HB2 1.0 2.54 3.29 25 11 A 10 TYR HB3 A 11 ALA H 1.0 2.54 3.29 26 12 A 11 ALA H A 10 TYR HB2 1.0 3.11 4.42 27 12 A 10 TYR HB3 A 11 ALA H 1.0 3.11 4.42 28 13 A 10 TYR HA A 11 ALA H 1.0 3.07 4.40 29 14 A 10 TYR HA A 13 TRP HB3 1.0 2.65 3.41 30 15 A 10 TYR HA A 13 TRP H 1.0 2.71 3.61 31 16 A 10 TYR HA A 13 TRP HE3 1.0 3.09 4.57 32 17 A 10 TYR HA A 13 TRP HB2 1.0 2.80 4.09 33 18 A 10 TYR HA A 14 LEU H 1.0 3.20 4.61 34 19 A 10 TYR HA A 4 PRO HG3 1.0 2.54 3.47 35 20 A 10 TYR HA A 4 PRO HD2 1.0 2.23 3.23 36 21 A 10 TYR HDx A 11 ALA H 1.0 3.03 4.59 37 21 A 11 ALA H A 10 TYR HDy 1.0 3.03 4.59 38 22 A 10 TYR HDx A 11 ALA HA 1.0 3.31 5.17 39 22 A 11 ALA HA A 10 TYR HDy 1.0 3.31 5.17 40 23 A 11 ALA HA A 11 ALA HB% 1.0 2.35 2.75 41 24 A 11 ALA H A 11 ALA HB% 1.0 2.57 3.12 42 25 A 11 ALA H A 11 ALA HA 1.0 2.48 3.18 43 26 A 11 ALA HB% A 12 GLN H 1.0 2.75 3.43 44 27 A 11 ALA HA A 12 GLN H 1.0 2.94 4.06 45 28 A 14 LEU H A 11 ALA HA 1.0 2.59 3.39 46 29 A 11 ALA HA A 14 LEU HB2 1.0 3.22 4.12 47 30 A 11 ALA HA A 14 LEU HD1% 1.0 3.07 4.00 48 31 A 14 LEU H A 11 ALA HB% 1.0 3.74 5.30 49 32 A 11 ALA H A 12 GLN H 1.0 2.49 3.21 50 33 A 12 GLN HB3 A 12 GLN HGx 1.0 2.06 2.46 51 33 A 12 GLN HB2 A 12 GLN HGx 1.0 2.06 2.46 52 33 A 12 GLN HGy A 12 GLN HB2 1.0 2.06 2.46 53 33 A 12 GLN HGy A 12 GLN HB3 1.0 2.06 2.46 54 34 A 12 GLN HE22 A 12 GLN HGx 1.0 2.08 2.49 55 34 A 12 GLN HGy A 12 GLN HE21 1.0 2.08 2.49 56 34 A 12 GLN HGy A 12 GLN HE22 1.0 2.08 2.49 57 34 A 12 GLN HE21 A 12 GLN HGx 1.0 2.08 2.49 58 35 A 12 GLN HA A 12 GLN HB2 1.0 2.16 2.63 59 35 A 12 GLN HB3 A 12 GLN HA 1.0 2.16 2.63 60 36 A 12 GLN H A 12 GLN HA 1.0 2.38 2.87 61 37 A 12 GLN H A 12 GLN HB2 1.0 2.24 2.76 62 37 A 12 GLN H A 12 GLN HB3 1.0 2.24 2.76 63 38 A 12 GLN H A 12 GLN HB2 1.0 2.31 2.88 64 38 A 12 GLN H A 12 GLN HB3 1.0 2.31 2.88 65 39 A 12 GLN HA A 12 GLN HB2 1.0 2.37 2.99 66 39 A 12 GLN HB3 A 12 GLN HA 1.0 2.37 2.99 67 40 A 12 GLN HA A 12 GLN HGx 1.0 2.46 3.15 68 40 A 12 GLN HGy A 12 GLN HA 1.0 2.46 3.15 69 41 A 12 GLN HA A 12 GLN HE21 1.0 2.94 4.05 70 41 A 12 GLN HE22 A 12 GLN HA 1.0 2.94 4.05 71 42 A 12 GLN H A 12 GLN HGx 1.0 3.10 4.39 72 42 A 12 GLN H A 12 GLN HGy 1.0 3.10 4.39 73 43 A 13 TRP H A 12 GLN HB2 1.0 2.49 3.21 74 43 A 13 TRP H A 12 GLN HB3 1.0 2.49 3.21 75 44 A 13 TRP H A 12 GLN HB2 1.0 2.74 3.68 76 44 A 13 TRP H A 12 GLN HB3 1.0 2.74 3.68 77 45 A 12 GLN HA A 15 ALA HB% 1.0 2.43 2.92 78 46 A 12 GLN HA A 15 ALA H 1.0 2.60 3.41 79 47 A 12 GLN HA A 16 ASP H 1.0 3.15 4.49 80 48 A 13 TRP H A 12 GLN H 1.0 2.20 2.70 81 49 A 13 TRP HE3 A 13 TRP HZ3 1.0 1.80 2.34 82 50 A 13 TRP HB3 A 13 TRP H 1.0 2.11 2.54 83 51 A 13 TRP HZ3 A 13 TRP HH2 1.0 2.16 3.03 84 52 A 13 TRP H A 13 TRP HB2 1.0 2.23 2.74 85 53 A 13 TRP HH2 A 13 TRP HZ2 1.0 2.23 3.14 86 54 A 13 TRP HD1 A 13 TRP HE1 1.0 2.29 3.26 87 55 A 13 TRP H A 13 TRP HA 1.0 2.33 2.92 88 56 A 13 TRP HB2 A 13 TRP HD1 1.0 2.34 3.13 89 57 A 13 TRP HB3 A 13 TRP HE3 1.0 2.42 3.27 90 58 A 13 TRP HB2 A 13 TRP HA 1.0 2.44 3.12 91 59 A 13 TRP HD1 A 13 TRP HA 1.0 2.51 3.45 92 60 A 13 TRP HB3 A 13 TRP HA 1.0 2.59 3.40 93 61 A 13 TRP HZ2 A 13 TRP HE1 1.0 2.64 3.88 94 62 A 13 TRP HE3 A 13 TRP HB2 1.0 3.07 4.52 95 63 A 13 TRP HB3 A 13 TRP HD1 1.0 3.12 4.63 96 64 A 13 TRP HB3 A 14 LEU H 1.0 2.33 2.92 97 65 A 13 TRP H A 14 LEU H 1.0 2.34 2.94 98 66 A 13 TRP HE3 A 14 LEU H 1.0 2.50 3.42 99 67 A 13 TRP HB2 A 14 LEU H 1.0 2.98 4.15 100 68 A 13 TRP HA A 16 ASP HB2 1.0 2.68 3.56 101 68 A 13 TRP HA A 16 ASP HB3 1.0 2.68 3.56 102 69 A 13 TRP HA A 16 ASP HB2 1.0 3.00 4.19 103 69 A 13 TRP HA A 16 ASP HB3 1.0 3.00 4.19 104 70 A 16 ASP H A 13 TRP HA 1.0 3.19 4.58 105 71 A 13 TRP HH2 A 19 TRP HD1 1.0 2.99 4.56 106 72 A 13 TRP HZ2 A 19 TRP HD1 1.0 3.04 4.66 107 73 A 13 TRP HZ2 A 19 TRP HE3 1.0 3.39 5.43 108 74 A 13 TRP HH2 A 19 TRP H 1.0 3.57 5.66 109 75 A 13 TRP HD1 A 1 ARG HE 1.0 3.00 4.38 110 76 A 13 TRP HB2 A 4 PRO HG3 1.0 2.87 3.93 111 77 A 14 LEU HD1% A 10 TYR HEy 1.0 2.84 3.81 112 78 A 10 TYR HEy A 14 LEU HD2% 1.0 2.94 3.99 113 79 A 10 TYR HEy A 14 LEU HG 1.0 2.96 4.29 114 80 A 14 LEU HG A 10 TYR HDy 1.0 3.14 4.48 115 81 A 14 LEU HD1% A 10 TYR HDy 1.0 3.51 4.84 116 82 A 14 LEU HD2% A 10 TYR HDy 1.0 3.89 5.65 117 83 A 11 ALA H A 14 LEU HG 1.0 3.89 5.28 118 84 A 13 TRP HE3 A 14 LEU HG 1.0 2.51 3.44 119 85 A 13 TRP HE3 A 14 LEU HA 1.0 2.82 4.02 120 86 A 13 TRP HE3 A 14 LEU HB2 1.0 2.99 4.36 121 87 A 13 TRP HE3 A 14 LEU HD2% 1.0 3.11 4.30 122 88 A 13 TRP HZ3 A 14 LEU HD2% 1.0 2.16 3.40 123 89 A 13 TRP HZ3 A 14 LEU HG 1.0 3.16 4.72 124 90 A 13 TRP HZ3 A 14 LEU HA 1.0 3.20 4.81 125 91 A 13 TRP HE3 A 14 LEU HB3 1.0 3.35 5.13 126 92 A 14 LEU HD1% A 13 TRP HZ3 1.0 3.57 5.20 127 93 A 13 TRP HE3 A 14 LEU HD1% 1.0 3.78 5.63 128 94 A 14 LEU H A 14 LEU HB2 1.0 2.39 2.87 129 95 A 14 LEU H A 14 LEU HG 1.0 2.26 2.80 130 96 A 14 LEU H A 14 LEU HA 1.0 2.36 2.96 131 97 A 14 LEU HA A 14 LEU HB3 1.0 2.17 2.79 132 98 A 14 LEU H A 14 LEU HB3 1.0 2.94 3.61 133 99 A 14 LEU HB2 A 14 LEU HA 1.0 2.69 3.39 134 100 A 14 LEU HD2% A 14 LEU HA 1.0 2.37 3.05 135 101 A 14 LEU HB2 A 14 LEU HD1% 1.0 2.90 3.68 136 102 A 14 LEU HG A 14 LEU HA 1.0 2.77 3.92 137 103 A 14 LEU HB2 A 14 LEU HD2% 1.0 3.16 4.17 138 104 A 14 LEU HD1% A 14 LEU HA 1.0 3.51 4.76 139 105 A 14 LEU H A 14 LEU HD2% 1.0 2.92 4.28 140 106 A 14 LEU H A 14 LEU HD1% 1.0 2.95 4.25 141 107 A 15 ALA H A 14 LEU HB3 1.0 2.30 3.17 142 108 A 14 LEU HB2 A 15 ALA H 1.0 2.45 3.12 143 109 A 15 ALA H A 14 LEU HA 1.0 2.92 4.02 144 110 A 16 ASP H A 14 LEU HA 1.0 3.29 4.79 145 111 A 14 LEU HA A 18 GLY H 1.0 2.55 3.32 146 112 A 14 LEU HA A 18 GLY HA2 1.0 3.04 4.26 147 113 A 14 LEU HA A 18 GLY HA3 1.0 3.41 5.08 148 114 A 15 ALA HB% A 12 GLN HE21 1.0 3.27 4.37 149 114 A 12 GLN HE22 A 15 ALA HB% 1.0 3.27 4.37 150 115 A 12 GLN H A 15 ALA HB% 1.0 3.78 5.41 151 116 A 14 LEU H A 15 ALA H 1.0 2.32 2.91 152 117 A 15 ALA HB% A 15 ALA HA 1.0 2.15 2.42 153 118 A 15 ALA HB% A 15 ALA H 1.0 2.37 2.79 154 119 A 15 ALA H A 15 ALA HA 1.0 2.33 2.93 155 120 A 15 ALA HB% A 16 ASP H 1.0 2.86 3.62 156 121 A 16 ASP H A 15 ALA HA 1.0 3.00 4.18 157 122 A 16 ASP H A 16 ASP HB2 1.0 2.24 2.76 158 122 A 16 ASP H A 16 ASP HB3 1.0 2.24 2.76 159 123 A 16 ASP HA A 16 ASP HB2 1.0 2.52 3.26 160 123 A 16 ASP HB3 A 16 ASP HA 1.0 2.52 3.26 161 124 A 16 ASP H A 16 ASP HB2 1.0 2.76 3.70 162 124 A 16 ASP H A 16 ASP HB3 1.0 2.76 3.70 163 125 A 16 ASP H A 16 ASP HA 1.0 2.81 3.80 164 126 A 16 ASP HA A 16 ASP HB2 1.0 2.47 3.52 165 126 A 16 ASP HB3 A 16 ASP HA 1.0 2.47 3.52 166 127 A 18 GLY H A 16 ASP HB2 1.0 3.28 4.78 167 127 A 16 ASP HB3 A 18 GLY H 1.0 3.28 4.78 168 128 A 18 GLY H A 17 DAL HA 1.0 2.97 4.12 169 129 A 13 TRP HZ3 A 18 GLY HA3 1.0 3.30 5.03 170 130 A 18 GLY H A 18 GLY HA3 1.0 2.30 2.94 171 131 A 18 GLY H A 18 GLY HA2 1.0 2.23 2.82 172 132 A 19 TRP H A 18 GLY HA2 1.0 2.33 2.92 173 133 A 19 TRP H A 18 GLY HA3 1.0 2.89 3.97 174 134 A 13 TRP HZ2 A 19 TRP HA 1.0 3.16 4.72 175 135 A 13 TRP HE1 A 19 TRP HA 1.0 3.45 5.38 176 136 A 18 GLY HA2 A 19 TRP HA 1.0 3.30 4.83 177 137 A 19 TRP HH2 A 19 TRP HZ2 1.0 2.01 2.78 178 138 A 19 TRP HD1 A 19 TRP HE1 1.0 2.09 2.91 179 139 A 19 TRP HE3 A 19 TRP HZ3 1.0 2.18 3.06 180 140 A 19 TRP HE3 A 19 TRP HA 1.0 2.27 3.02 181 141 A 19 TRP HE3 A 19 TRP HB2 1.0 3.34 4.91 182 142 A 19 TRP HD1 A 19 TRP HB3 1.0 2.84 3.71 183 143 A 19 TRP H A 19 TRP HB3 1.0 3.21 3.95 184 144 A 19 TRP HA A 19 TRP HB3 1.0 2.33 2.91 185 145 A 19 TRP H A 19 TRP HA 1.0 2.06 2.92 186 146 A 19 TRP HE3 A 19 TRP HB3 1.0 2.70 3.79 187 147 A 19 TRP HA A 19 TRP HB2 1.0 2.75 3.69 188 148 A 19 TRP HD1 A 19 TRP H 1.0 2.88 4.14 189 149 A 19 TRP HD1 A 19 TRP HB2 1.0 2.10 3.38 190 150 A 19 TRP H A 19 TRP HB2 1.0 2.29 3.20 191 151 A 19 TRP HD1 A 19 TRP HA 1.0 3.41 5.28 192 152 A 19 TRP HA A 20 ALA H 1.0 2.60 3.44 193 153 A 13 TRP HD1 A 1 ARG HG2 1.0 2.39 3.23 194 153 A 13 TRP HD1 A 1 ARG HG3 1.0 2.39 3.23 195 154 A 13 TRP HD1 A 1 ARG HG2 1.0 2.53 3.48 196 154 A 13 TRP HD1 A 1 ARG HG3 1.0 2.53 3.48 197 155 A 13 TRP HD1 A 1 ARG HDx 1.0 2.70 3.80 198 155 A 13 TRP HD1 A 1 ARG HDy 1.0 2.70 3.80 199 156 A 13 TRP HE1 A 1 ARG HG2 1.0 2.82 4.02 200 156 A 13 TRP HE1 A 1 ARG HG3 1.0 2.82 4.02 201 157 A 13 TRP HD1 A 1 ARG HB2 1.0 3.10 4.59 202 157 A 13 TRP HD1 A 1 ARG HB3 1.0 3.10 4.59 203 158 A 13 TRP HE1 A 1 ARG HG2 1.0 3.22 4.86 204 158 A 13 TRP HE1 A 1 ARG HG3 1.0 3.22 4.86 205 159 A 13 TRP HD1 A 1 ARG HB2 1.0 3.27 4.96 206 159 A 13 TRP HD1 A 1 ARG HB3 1.0 3.27 4.96 207 160 A 1 ARG HE A 1 ARG HDx 1.0 2.16 2.63 208 160 A 1 ARG HE A 1 ARG HDy 1.0 2.16 2.63 209 161 A 1 ARG HA A 1 ARG HB2 1.0 2.60 3.41 210 161 A 1 ARG HB3 A 1 ARG HA 1.0 2.60 3.41 211 162 A 1 ARG HB2 A 1 ARG HDx 1.0 2.62 3.45 212 162 A 1 ARG HB3 A 1 ARG HDx 1.0 2.62 3.45 213 162 A 1 ARG HDy A 1 ARG HB2 1.0 2.62 3.45 214 162 A 1 ARG HDy A 1 ARG HB3 1.0 2.62 3.45 215 163 A 1 ARG HA A 1 ARG HB2 1.0 2.20 3.10 216 163 A 1 ARG HB3 A 1 ARG HA 1.0 2.20 3.10 217 164 A 1 ARG HB2 A 1 ARG HDx 1.0 2.76 3.72 218 164 A 1 ARG HB3 A 1 ARG HDx 1.0 2.76 3.72 219 164 A 1 ARG HDy A 1 ARG HB2 1.0 2.76 3.72 220 164 A 1 ARG HDy A 1 ARG HB3 1.0 2.76 3.72 221 165 A 1 ARG HE A 1 ARG HG2 1.0 2.91 4.01 222 165 A 1 ARG HE A 1 ARG HG3 1.0 2.91 4.01 223 166 A 1 ARG HE A 1 ARG HG2 1.0 2.95 4.08 224 166 A 1 ARG HE A 1 ARG HG3 1.0 2.95 4.08 225 167 A 1 ARG HE A 1 ARG HB2 1.0 3.22 4.64 226 167 A 1 ARG HE A 1 ARG HB3 1.0 3.22 4.64 227 168 A 1 ARG HA A 1 ARG HG2 1.0 3.24 4.70 228 168 A 1 ARG HG3 A 1 ARG HA 1.0 3.24 4.70 229 169 A 1 ARG HA A 1 ARG HG2 1.0 3.42 5.11 230 169 A 1 ARG HG3 A 1 ARG HA 1.0 3.42 5.11 231 170 A 1 ARG HA A 2 PRO HD3 1.0 2.12 2.56 232 171 A 1 ARG HA A 2 PRO HD2 1.0 2.47 3.17 233 172 A 2 PRO HD2 A 1 ARG HB2 1.0 2.49 3.21 234 172 A 1 ARG HB3 A 2 PRO HD2 1.0 2.49 3.21 235 173 A 2 PRO HD2 A 1 ARG HB2 1.0 2.77 3.73 236 173 A 1 ARG HB3 A 2 PRO HD2 1.0 2.77 3.73 237 174 A 20 ALA HA A 20 ALA HB% 1.0 2.23 2.55 238 175 A 20 ALA H A 20 ALA HA 1.0 2.22 2.73 239 176 A 20 ALA H A 20 ALA HB% 1.0 2.55 3.08 240 177 A 20 ALA HA A 21 SER H 1.0 2.83 3.85 241 178 A 20 ALA HB% A 21 SER H 1.0 3.69 5.22 242 179 A 18 GLY HA2 A 21 SER HBx 1.0 2.79 3.77 243 179 A 18 GLY HA2 A 21 SER HBy 1.0 2.79 3.77 244 180 A 18 GLY H A 21 SER HBx 1.0 3.02 4.22 245 180 A 18 GLY H A 21 SER HBy 1.0 3.02 4.22 246 181 A 18 GLY HA2 A 21 SER HBx 1.0 3.26 4.75 247 181 A 18 GLY HA2 A 21 SER HBy 1.0 3.26 4.75 248 182 A 21 SER HA A 21 SER HBx 1.0 2.16 2.62 249 182 A 21 SER HBy A 21 SER HA 1.0 2.16 2.62 250 183 A 21 SER HA A 21 SER HBx 1.0 2.38 3.01 251 183 A 21 SER HBy A 21 SER HA 1.0 2.38 3.01 252 184 A 21 SER H A 21 SER HA 1.0 2.47 3.16 253 185 A 21 SER H A 21 SER HBx 1.0 2.64 3.48 254 185 A 21 SER H A 21 SER HBy 1.0 2.64 3.48 255 186 A 21 SER H A 21 SER HBx 1.0 3.04 4.26 256 186 A 21 SER H A 21 SER HBy 1.0 3.04 4.26 257 187 A 13 TRP HZ2 A 2 PRO HA 1.0 2.80 4.01 258 188 A 19 TRP HZ3 A 2 PRO HA 1.0 2.57 3.52 259 189 A 19 TRP HE3 A 2 PRO HA 1.0 3.18 4.76 260 190 A 19 TRP HZ3 A 2 PRO HB3 1.0 2.88 4.06 261 191 A 19 TRP HH2 A 2 PRO HB3 1.0 1.93 2.59 262 192 A 2 PRO HA A 2 PRO HB3 1.0 2.40 3.05 263 193 A 2 PRO HD3 A 2 PRO HG2 1.0 2.57 3.36 264 194 A 2 PRO HD3 A 2 PRO HG3 1.0 2.28 3.16 265 195 A 2 PRO HA A 2 PRO HB2 1.0 2.75 3.68 266 196 A 2 PRO HD2 A 2 PRO HG3 1.0 2.78 3.74 267 197 A 2 PRO HD2 A 2 PRO HB2 1.0 3.09 4.36 268 198 A 2 PRO HD3 A 2 PRO HB3 1.0 3.80 6.09 269 199 A 2 PRO HA A 3 PRO HD3 1.0 2.30 2.87 270 200 A 2 PRO HA A 3 PRO HD2 1.0 2.52 3.26 271 201 A 10 TYR HEx A 3 PRO HB2 1.0 2.68 3.76 272 202 A 10 TYR HEx A 3 PRO HB3 1.0 2.91 4.20 273 203 A 10 TYR HDx A 3 PRO HB2 1.0 2.91 4.20 274 204 A 10 TYR HDx A 3 PRO HB3 1.0 3.61 5.79 275 205 A 13 TRP HZ2 A 3 PRO HD2 1.0 2.66 3.72 276 206 A 13 TRP HE1 A 3 PRO HA 1.0 3.13 4.66 277 207 A 13 TRP HD1 A 3 PRO HA 1.0 3.18 4.77 278 208 A 13 TRP HH2 A 3 PRO HD2 1.0 3.43 5.35 279 209 A 13 TRP HZ3 A 3 PRO HB3 1.0 3.47 5.43 280 210 A 13 TRP HZ2 A 3 PRO HB3 1.0 3.54 5.60 281 211 A 13 TRP HE3 A 3 PRO HB3 1.0 3.72 6.07 282 212 A 19 TRP HH2 A 3 PRO HD3 1.0 3.06 4.51 283 213 A 19 TRP HZ3 A 3 PRO HD3 1.0 3.19 4.78 284 214 A 2 PRO HB3 A 3 PRO HD3 1.0 2.86 3.90 285 215 A 3 PRO HD2 A 3 PRO HG2 1.0 2.21 3.04 286 216 A 3 PRO HD3 A 3 PRO HG3 1.0 2.06 2.71 287 217 A 3 PRO HD2 A 3 PRO HG3 1.0 2.69 3.46 288 218 A 3 PRO HB2 A 3 PRO HA 1.0 2.67 3.32 289 219 A 3 PRO HB3 A 3 PRO HA 1.0 1.83 2.70 290 220 A 3 PRO HB3 A 3 PRO HG2 1.0 2.62 3.44 291 221 A 3 PRO HB3 A 3 PRO HG3 1.0 1.96 2.75 292 222 A 10 TYR HDx A 4 PRO HD2 1.0 2.69 3.57 293 223 A 10 TYR HDx A 4 PRO HG2 1.0 2.85 4.07 294 224 A 10 TYR H A 4 PRO HG2 1.0 3.24 4.69 295 225 A 10 TYR H A 4 PRO HB2 1.0 3.33 4.90 296 226 A 10 TYR H A 4 PRO HG3 1.0 3.40 5.06 297 227 A 13 TRP HD1 A 4 PRO HD3 1.0 2.57 3.56 298 228 A 3 PRO HA A 4 PRO HD3 1.0 2.53 3.28 299 229 A 4 PRO HD2 A 3 PRO HA 1.0 2.67 3.53 300 230 A 4 PRO HD2 A 3 PRO HB2 1.0 3.11 4.42 301 231 A 4 PRO HD2 A 3 PRO HB3 1.0 3.27 4.76 302 232 A 3 PRO HB2 A 4 PRO HD3 1.0 3.34 4.92 303 233 A 4 PRO HA A 4 PRO HB3 1.0 2.29 2.84 304 234 A 4 PRO HG3 A 4 PRO HD3 1.0 2.48 3.20 305 235 A 4 PRO HD2 A 4 PRO HG2 1.0 1.99 2.87 306 236 A 4 PRO HG3 A 4 PRO HD2 1.0 2.79 3.77 307 237 A 4 PRO HB2 A 4 PRO HA 1.0 2.84 3.86 308 238 A 4 PRO HG2 A 4 PRO HD3 1.0 2.85 3.88 309 239 A 4 PRO HD3 A 4 PRO HB3 1.0 2.96 4.09 310 240 A 4 PRO HD2 A 4 PRO HB2 1.0 3.25 4.71 311 241 A 4 PRO HD2 A 4 PRO HB3 1.0 3.37 5.00 312 242 A 4 PRO HA A 5 SER H 1.0 2.48 3.13 313 243 A 4 PRO HB2 A 5 SER H 1.0 3.03 4.25 314 244 A 4 PRO HB3 A 5 SER H 1.0 3.52 5.34 315 245 A 4 PRO HB2 A 6 ASP H 1.0 2.60 3.41 316 246 A 5 SER HA A 5 SER HB2 1.0 2.29 2.86 317 246 A 5 SER HA A 5 SER HB3 1.0 2.29 2.86 318 247 A 5 SER HA A 5 SER HB2 1.0 2.33 2.92 319 247 A 5 SER HA A 5 SER HB3 1.0 2.33 2.92 320 248 A 5 SER H A 5 SER HA 1.0 2.36 2.96 321 249 A 5 SER H A 5 SER HB2 1.0 2.72 3.64 322 249 A 5 SER H A 5 SER HB3 1.0 2.72 3.64 323 250 A 5 SER H A 5 SER HB2 1.0 2.78 3.74 324 250 A 5 SER H A 5 SER HB3 1.0 2.78 3.74 325 251 A 6 ASP H A 5 SER HA 1.0 2.88 3.93 326 252 A 6 ASP H A 5 SER HB2 1.0 3.28 4.79 327 252 A 6 ASP H A 5 SER HB3 1.0 3.28 4.79 328 253 A 6 ASP H A 5 SER HB2 1.0 3.37 4.98 329 253 A 6 ASP H A 5 SER HB3 1.0 3.37 4.98 330 254 A 5 SER H A 6 ASP H 1.0 2.42 3.07 331 255 A 6 ASP H A 6 ASP HA 1.0 2.50 3.21 332 256 A 6 ASP H A 6 ASP HB2 1.0 2.35 2.97 333 256 A 6 ASP H A 6 ASP HB3 1.0 2.35 2.97 334 257 A 6 ASP H A 6 ASP HB2 1.0 2.37 3.00 335 257 A 6 ASP H A 6 ASP HB3 1.0 2.37 3.00 336 258 A 6 ASP HA A 6 ASP HB2 1.0 2.41 3.06 337 258 A 6 ASP HA A 6 ASP HB3 1.0 2.41 3.06 338 259 A 6 ASP HA A 6 ASP HB2 1.0 2.82 3.64 339 259 A 6 ASP HA A 6 ASP HB3 1.0 2.82 3.64 340 260 A 9 ALA HB% A 6 ASP HB2 1.0 2.81 3.54 341 260 A 6 ASP HB3 A 9 ALA HB% 1.0 2.81 3.54 342 261 A 8 ALA HB% A 8 ALA HA 1.0 2.10 2.33 343 262 A 8 ALA H A 8 ALA HA 1.0 2.34 2.99 344 263 A 8 ALA HB% A 8 ALA H 1.0 2.26 2.60 345 264 A 8 ALA H A 9 ALA H 1.0 2.05 2.44 346 265 A 8 ALA HB% A 9 ALA H 1.0 2.89 3.67 347 266 A 10 TYR H A 9 ALA H 1.0 2.15 2.74 348 267 A 10 TYR H A 9 ALA HB% 1.0 3.05 3.95 349 268 A 10 TYR H A 9 ALA HA 1.0 2.87 4.05 350 269 A 12 GLN H A 9 ALA HA 1.0 2.87 3.92 351 270 A 9 ALA HA A 12 GLN HB2 1.0 3.12 4.43 352 270 A 12 GLN HB3 A 9 ALA HA 1.0 3.12 4.43 353 271 A 9 ALA HA A 12 GLN HB2 1.0 3.37 4.98 354 271 A 12 GLN HB3 A 9 ALA HA 1.0 3.37 4.98 355 272 A 12 GLN H A 9 ALA HB% 1.0 4.19 6.33 356 273 A 6 ASP H A 9 ALA HB% 1.0 4.39 6.85 357 274 A 9 ALA HB% A 9 ALA HA 1.0 2.32 2.69 358 275 A 9 ALA H A 9 ALA HA 1.0 2.31 2.88 359 276 A 9 ALA HB% A 9 ALA H 1.0 2.49 2.98 stop_ save_