data_nef_c25204_2mua 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 25201 PDB 2MUA 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 TYR start . . 2 A 2 LEU middle . . 3 A 3 GLY middle . false 4 A 4 ARG middle . . 5 A 5 SER middle . . 6 A 6 GLY middle . false 7 A 7 GLY middle . false 8 A 8 ASP middle . . 9 A 9 ILE middle . . 10 A 10 ILE middle . . 11 A 11 LYS middle . . 12 A 12 LYS middle . . 13 A 13 MET middle . . 14 A 14 GLN middle . . 15 A 15 THR middle . . 16 A 16 LEU middle . . 17 A 17 TRP middle . . 18 A 18 ASP middle . . 19 A 19 GLU middle . . 20 A 20 ILE middle . . 21 A 21 MET 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 TYR H1 H 1 7.810 0.02 A 1 TYR HA H 1 4.380 0.02 A 1 TYR HBx H 1 2.880 0.02 A 1 TYR HBy H 1 2.880 0.02 A 1 TYR HDx H 1 7.010 0.02 A 1 TYR HDy H 1 7.010 0.02 A 1 TYR HEx H 1 6.720 0.02 A 1 TYR HEy H 1 6.720 0.02 A 2 LEU H H 1 7.900 0.02 A 2 LEU HA H 1 4.160 0.02 A 2 LEU HBx H 1 1.470 0.02 A 2 LEU HBy H 1 1.470 0.02 A 2 LEU HDx% H 1 0.810 0.02 A 2 LEU HDy% H 1 0.750 0.02 A 2 LEU HG H 1 1.720 0.02 A 3 GLY H H 1 7.550 0.02 A 3 GLY HAy H 1 3.820 0.02 A 3 GLY HAx H 1 3.770 0.02 A 4 ARG H H 1 8.020 0.02 A 4 ARG HA H 1 4.280 0.02 A 4 ARG HBy H 1 1.850 0.02 A 4 ARG HBx H 1 1.740 0.02 A 4 ARG HDx H 1 3.100 0.02 A 4 ARG HDy H 1 3.100 0.02 A 4 ARG HGx H 1 1.590 0.02 A 4 ARG HGy H 1 1.590 0.02 A 4 ARG HH1x H 1 7.120 0.02 A 4 ARG HH1y H 1 7.120 0.02 A 4 ARG HH2x H 1 6.700 0.02 A 4 ARG HH2y H 1 6.700 0.02 A 5 SER H H 1 8.160 0.02 A 5 SER HA H 1 4.410 0.02 A 5 SER HBx H 1 3.850 0.02 A 5 SER HBy H 1 3.850 0.02 A 6 GLY H H 1 8.250 0.02 A 6 GLY HAx H 1 3.840 0.02 A 6 GLY HAy H 1 3.840 0.02 A 7 GLY H H 1 8.200 0.02 A 7 GLY HA2 H 1 3.800 0.02 A 7 GLY HA3 H 1 3.800 0.02 A 8 ASP H H 1 8.070 0.02 A 8 ASP HA H 1 4.460 0.02 A 8 ASP HBx H 1 2.790 0.02 A 8 ASP HBy H 1 2.790 0.02 A 9 ILE H H 1 7.760 0.02 A 9 ILE HA H 1 3.750 0.02 A 9 ILE HB H 1 1.930 0.02 A 9 ILE HD1% H 1 0.810 0.02 A 9 ILE HG1x H 1 1.170 0.02 A 9 ILE HG1y H 1 1.530 0.02 A 9 ILE HG2% H 1 0.870 0.02 A 10 ILE H H 1 7.630 0.02 A 10 ILE HA H 1 3.680 0.02 A 10 ILE HB H 1 1.850 0.02 A 10 ILE HD1% H 1 0.750 0.02 A 10 ILE HG1y H 1 1.520 0.02 A 10 ILE HG1x H 1 1.170 0.02 A 10 ILE HG2% H 1 0.820 0.02 A 11 LYS H H 1 7.620 0.02 A 11 LYS HA H 1 4.030 0.02 A 11 LYS HBx H 1 1.850 0.02 A 11 LYS HBy H 1 1.850 0.02 A 11 LYS HDx H 1 1.630 0.02 A 11 LYS HDy H 1 1.630 0.02 A 11 LYS HEx H 1 2.900 0.02 A 11 LYS HEy H 1 2.900 0.02 A 11 LYS HGx H 1 1.380 0.02 A 11 LYS HGy H 1 1.470 0.02 A 12 LYS H H 1 7.910 0.02 A 12 LYS HA H 1 3.950 0.02 A 12 LYS HBx H 1 1.920 0.02 A 12 LYS HBy H 1 1.920 0.02 A 12 LYS HDx H 1 1.580 0.02 A 12 LYS HDy H 1 1.580 0.02 A 12 LYS HEx H 1 2.850 0.02 A 12 LYS HEy H 1 2.850 0.02 A 12 LYS HGx H 1 1.360 0.02 A 12 LYS HGy H 1 1.360 0.02 A 13 MET H H 1 8.380 0.02 A 13 MET HA H 1 4.150 0.02 A 13 MET HBx H 1 2.150 0.02 A 13 MET HBy H 1 2.150 0.02 A 13 MET HE% H 1 1.960 0.02 A 13 MET HGx H 1 2.470 0.02 A 13 MET HGy H 1 2.620 0.02 A 14 GLN H H 1 8.500 0.02 A 14 GLN HA H 1 3.960 0.02 A 14 GLN HBx H 1 2.060 0.02 A 14 GLN HBy H 1 2.170 0.02 A 14 GLN HE2y H 1 6.920 0.02 A 14 GLN HE2x H 1 6.430 0.02 A 14 GLN HGy H 1 2.480 0.02 A 14 GLN HGx H 1 2.270 0.02 A 15 THR H H 1 7.930 0.02 A 15 THR HA H 1 4.340 0.02 A 15 THR HB H 1 3.920 0.02 A 15 THR HG2% H 1 1.200 0.02 A 16 LEU H H 1 7.960 0.02 A 16 LEU HA H 1 4.060 0.02 A 16 LEU HBx H 1 1.710 0.02 A 16 LEU HBy H 1 1.710 0.02 A 16 LEU HDx% H 1 0.810 0.02 A 16 LEU HDy% H 1 0.750 0.02 A 16 LEU HG H 1 1.720 0.02 A 17 TRP H H 1 8.470 0.02 A 17 TRP HA H 1 4.070 0.02 A 17 TRP HBx H 1 3.290 0.02 A 17 TRP HBy H 1 3.290 0.02 A 17 TRP HD1 H 1 7.050 0.02 A 17 TRP HE1 H 1 9.520 0.02 A 17 TRP HE3 H 1 7.470 0.02 A 17 TRP HH2 H 1 7.030 0.02 A 17 TRP HZ2 H 1 7.300 0.02 A 17 TRP HZ3 H 1 6.960 0.02 A 18 ASP H H 1 8.420 0.02 A 18 ASP HA H 1 4.270 0.02 A 18 ASP HBx H 1 2.840 0.02 A 18 ASP HBy H 1 3.160 0.02 A 19 GLU H H 1 8.040 0.02 A 19 GLU HA H 1 4.020 0.02 A 19 GLU HBx H 1 2.090 0.02 A 19 GLU HBy H 1 2.290 0.02 A 19 GLU HGx H 1 2.420 0.02 A 19 GLU HGy H 1 2.590 0.02 A 20 ILE H H 1 8.140 0.02 A 20 ILE HA H 1 3.730 0.02 A 20 ILE HB H 1 1.660 0.02 A 20 ILE HD1% H 1 0.670 0.02 A 20 ILE HG1y H 1 1.560 0.02 A 20 ILE HG1x H 1 1.040 0.02 A 20 ILE HG2% H 1 0.720 0.02 A 21 MET H H 1 8.070 0.02 A 21 MET HA H 1 4.150 0.02 A 21 MET HBx H 1 1.340 0.02 A 21 MET HBy H 1 1.550 0.02 A 21 MET HGy H 1 1.750 0.02 A 21 MET HGx H 1 1.660 0.02 stop_ save_ save_Discover_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode Discover_distance_constraints_5 _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 2 LEU H A 1 TYR HA 1.0 1.8 2.8 2 2 A 8 ASP H A 8 ASP HA 1.0 1.8 2.8 3 3 A 8 ASP HA A 9 ILE H 1.0 2.8 3.5 4 4 A 8 ASP HA A 11 LYS H 1.0 3.5 5.0 5 5 A 15 THR H A 15 THR HA 1.0 2.8 3.5 6 6 A 15 THR HA A 16 LEU H 1.0 2.8 3.5 7 7 A 17 TRP HE3 A 18 ASP HA 1.0 3.5 5.0 8 8 A 1 TYR HA A 1 TYR HD% 1.0 2.8 5.5 9 9 A 17 TRP HD1 A 17 TRP HA 1.0 2.8 3.5 10 10 A 17 TRP HE3 A 14 GLN HA 1.0 3.5 5.0 11 11 A 17 TRP HE3 A 17 TRP HA 1.0 3.5 5.0 12 12 A 3 GLY H A 2 LEU HA 1.0 1.8 2.8 13 13 A 11 LYS H A 11 LYS HA 1.0 2.8 3.5 14 14 A 3 GLY H A 3 GLY HAy 1.0 2.8 3.5 15 15 A 3 GLY H A 3 GLY HAx 1.0 1.8 2.8 16 16 A 10 ILE H A 10 ILE HA 1.0 1.8 2.8 17 17 A 10 ILE H A 9 ILE HA 1.0 3.5 5.0 18 18 A 10 ILE H A 7 GLY HA2 1.0 3.5 6.0 19 18 A 10 ILE H A 7 GLY HA3 1.0 3.5 6.0 20 19 A 9 ILE H A 9 ILE HA 1.0 2.8 3.5 21 20 A 9 ILE H A 6 GLY HAx 1.0 3.5 6.0 22 20 A 9 ILE H A 6 GLY HAy 1.0 3.5 6.0 23 21 A 21 MET HA A 21 MET H 1.0 2.8 3.5 24 22 A 16 LEU H A 13 MET HA 1.0 2.8 3.5 25 23 A 2 LEU H A 2 LEU HA 1.0 1.8 2.8 26 24 A 5 SER H A 5 SER HA 1.0 1.8 2.8 27 25 A 13 MET HA A 14 GLN H 1.0 2.8 3.5 28 26 A 10 ILE HA A 13 MET H 1.0 3.5 5.0 29 27 A 9 ILE HA A 13 MET H 1.0 3.5 5.0 30 28 A 10 ILE HA A 14 GLN H 1.0 3.5 5.0 31 29 A 9 ILE HA A 12 LYS H 1.0 2.8 3.5 32 30 A 18 ASP HA A 18 ASP H 1.0 1.8 2.8 33 31 A 13 MET HA A 13 MET H 1.0 2.8 3.5 34 32 A 5 SER H A 4 ARG HA 1.0 1.8 2.8 35 33 A 4 ARG HA A 4 ARG H 1.0 1.8 2.8 36 34 A 17 TRP HA A 20 ILE H 1.0 2.8 3.5 37 35 A 20 ILE H A 19 GLU HA 1.0 2.8 3.5 38 36 A 19 GLU HA A 19 GLU H 1.0 2.8 3.5 39 37 A 19 GLU H A 16 LEU HA 1.0 3.5 5.0 40 38 A 20 ILE H A 20 ILE HA 1.0 2.8 3.5 41 39 A 21 MET H A 20 ILE HA 1.0 3.5 5.0 42 40 A 6 GLY H A 6 GLY HAx 1.0 1.8 3.8 43 40 A 6 GLY HAy A 6 GLY H 1.0 1.8 3.8 44 41 A 7 GLY H A 7 GLY HA2 1.0 1.8 3.8 45 41 A 7 GLY HA3 A 7 GLY H 1.0 1.8 3.8 46 42 A 7 GLY H A 6 GLY HAx 1.0 1.8 3.8 47 42 A 6 GLY HAy A 7 GLY H 1.0 1.8 3.8 48 43 A 12 LYS H A 12 LYS HA 1.0 1.8 2.8 49 44 A 14 GLN HA A 14 GLN H 1.0 1.8 2.8 50 45 A 16 LEU H A 16 LEU HA 1.0 1.8 2.8 51 46 A 17 TRP HA A 17 TRP H 1.0 2.8 3.5 52 47 A 17 TRP HA A 18 ASP H 1.0 2.8 3.5 53 48 A 11 LYS HA A 12 LYS H 1.0 2.8 3.5 54 49 A 8 ASP H A 7 GLY HA2 1.0 1.8 3.8 55 49 A 8 ASP H A 7 GLY HA3 1.0 1.8 3.8 56 50 A 13 MET H A 12 LYS HA 1.0 2.8 3.5 57 51 A 10 ILE H A 6 GLY HAx 1.0 3.5 6.0 58 51 A 10 ILE H A 6 GLY HAy 1.0 3.5 6.0 59 52 A 18 ASP H A 15 THR HB 1.0 3.5 5.0 60 53 A 14 GLN HA A 18 ASP H 1.0 3.5 5.0 61 54 A 5 SER H A 5 SER HBx 1.0 2.8 4.5 62 54 A 5 SER H A 5 SER HBy 1.0 2.8 4.5 63 55 A 11 LYS HA A 14 GLN H 1.0 3.5 5.0 64 56 A 16 LEU H A 15 THR HB 1.0 3.5 5.0 65 57 A 19 GLU H A 15 THR HB 1.0 3.5 5.0 66 58 A 15 THR H A 15 THR HB 1.0 1.8 2.8 67 59 A 16 LEU H A 12 LYS HA 1.0 3.5 5.0 68 60 A 17 TRP H A 17 TRP HBx 1.0 1.8 3.8 69 60 A 17 TRP H A 17 TRP HBy 1.0 1.8 3.8 70 61 A 18 ASP H A 17 TRP HBx 1.0 3.5 6.0 71 61 A 18 ASP H A 17 TRP HBy 1.0 3.5 6.0 72 62 A 19 GLU H A 18 ASP HBx 1.0 3.5 5.0 73 63 A 17 TRP HE3 A 17 TRP HBx 1.0 1.8 3.8 74 63 A 17 TRP HE3 A 17 TRP HBy 1.0 1.8 3.8 75 64 A 17 TRP HD1 A 17 TRP HBx 1.0 1.8 3.8 76 64 A 17 TRP HD1 A 17 TRP HBy 1.0 1.8 3.8 77 65 A 1 TYR HD% A 1 TYR HBx 1.0 1.8 5.8 78 65 A 1 TYR HD% A 1 TYR HBy 1.0 1.8 5.8 79 66 A 1 TYR HE% A 1 TYR HBx 1.0 3.5 8.0 80 66 A 1 TYR HBy A 1 TYR HE% 1.0 3.5 8.0 81 67 A 2 LEU H A 1 TYR HBx 1.0 2.8 4.5 82 67 A 2 LEU H A 1 TYR HBy 1.0 2.8 4.5 83 68 A 13 MET H A 13 MET HGx 1.0 2.8 3.5 84 69 A 18 ASP H A 18 ASP HBx 1.0 1.8 2.8 85 70 A 4 ARG HH1% A 4 ARG HDx 1.0 2.8 5.5 86 70 A 4 ARG HH1% A 4 ARG HDy 1.0 2.8 5.5 87 71 A 18 ASP H A 18 ASP HBy 1.0 2.8 3.5 88 72 A 19 GLU H A 18 ASP HBy 1.0 1.8 2.8 89 73 A 19 GLU H A 19 GLU HGx 1.0 2.8 3.5 90 74 A 19 GLU H A 19 GLU HGy 1.0 2.8 3.5 91 75 A 19 GLU H A 19 GLU HBx 1.0 1.8 2.8 92 76 A 13 MET H A 13 MET HGy 1.0 2.8 3.5 93 77 A 14 GLN H A 14 GLN HGy 1.0 2.8 3.5 94 78 A 14 GLN H A 14 GLN HGx 1.0 3.5 5.0 95 79 A 14 GLN H A 14 GLN HBy 1.0 3.5 5.0 96 80 A 14 GLN H A 14 GLN HBx 1.0 1.8 2.8 97 81 A 13 MET H A 13 MET HBx 1.0 2.8 4.5 98 81 A 13 MET H A 13 MET HBy 1.0 2.8 4.5 99 82 A 20 ILE H A 19 GLU HBy 1.0 3.5 5.0 100 83 A 19 GLU H A 19 GLU HBy 1.0 3.5 5.0 101 84 A 15 THR H A 14 GLN HBx 1.0 1.8 2.8 102 85 A 15 THR H A 14 GLN HBy 1.0 1.8 2.8 103 86 A 13 MET H A 12 LYS HBx 1.0 1.8 3.8 104 86 A 13 MET H A 12 LYS HBy 1.0 1.8 3.8 105 87 A 12 LYS H A 12 LYS HBx 1.0 1.8 3.8 106 87 A 12 LYS H A 12 LYS HBy 1.0 1.8 3.8 107 88 A 20 ILE H A 19 GLU HBx 1.0 2.8 3.5 108 89 A 9 ILE H A 9 ILE HB 1.0 1.8 2.8 109 90 A 10 ILE H A 9 ILE HB 1.0 1.8 2.8 110 91 A 11 LYS H A 11 LYS HBx 1.0 1.8 3.8 111 91 A 11 LYS H A 11 LYS HBy 1.0 1.8 3.8 112 92 A 4 ARG H A 4 ARG HBx 1.0 2.8 3.5 113 93 A 17 TRP H A 16 LEU HBx 1.0 1.8 3.8 114 93 A 17 TRP H A 16 LEU HBy 1.0 1.8 3.8 115 94 A 18 ASP H A 16 LEU HBx 1.0 3.5 6.0 116 94 A 18 ASP H A 16 LEU HBy 1.0 3.5 6.0 117 95 A 20 ILE H A 20 ILE HG1y 1.0 3.5 5.0 118 96 A 21 MET H A 21 MET HBx 1.0 1.8 2.8 119 97 A 21 MET H A 21 MET HGx 1.0 2.8 3.5 120 98 A 21 MET H A 21 MET HGy 1.0 3.5 5.0 121 99 A 4 ARG H A 4 ARG HGx 1.0 3.5 6.0 122 99 A 4 ARG H A 4 ARG HGy 1.0 3.5 6.0 123 100 A 9 ILE H A 9 ILE HG1x 1.0 1.8 2.8 124 101 A 2 LEU H A 2 LEU HBx 1.0 1.8 3.8 125 101 A 2 LEU H A 2 LEU HBy 1.0 1.8 3.8 126 102 A 16 LEU H A 16 LEU HBx 1.0 1.8 3.8 127 102 A 16 LEU H A 16 LEU HBy 1.0 1.8 3.8 128 103 A 16 LEU H A 16 LEU HG 1.0 2.8 3.5 129 104 A 20 ILE H A 20 ILE HB 1.0 1.8 2.8 130 105 A 5 SER H A 4 ARG HBx 1.0 3.5 5.0 131 106 A 21 MET H A 21 MET HBy 1.0 3.5 5.0 132 107 A 10 ILE H A 10 ILE HG1y 1.0 3.5 5.0 133 108 A 17 TRP HZ2 A 16 LEU HBx 1.0 3.5 6.0 134 108 A 16 LEU HBy A 17 TRP HZ2 1.0 3.5 6.0 135 109 A 17 TRP HD1 A 16 LEU HBx 1.0 1.8 3.8 136 109 A 17 TRP HD1 A 16 LEU HBy 1.0 1.8 3.8 137 110 A 10 ILE H A 10 ILE HD1% 1.0 2.8 4.5 138 111 A 10 ILE H A 10 ILE HG2% 1.0 2.8 4.5 139 112 A 10 ILE H A 9 ILE HG2% 1.0 2.8 4.5 140 113 A 9 ILE H A 9 ILE HD1% 1.0 3.5 6.0 141 114 A 9 ILE H A 9 ILE HG2% 1.0 3.5 6.0 142 115 A 16 LEU H A 16 LEU HDy% 1.0 3.5 6.0 143 116 A 16 LEU H A 16 LEU HDx% 1.0 3.5 6.0 144 117 A 20 ILE H A 20 ILE HD1% 1.0 2.8 4.5 145 118 A 20 ILE H A 20 ILE HG2% 1.0 2.8 4.5 146 119 A 21 MET H A 20 ILE HG2% 1.0 2.8 4.5 147 120 A 20 ILE H A 20 ILE HG1x 1.0 1.8 2.8 148 121 A 15 THR H A 15 THR HG2% 1.0 2.8 4.5 149 122 A 16 LEU H A 15 THR HG2% 1.0 3.5 6.0 150 123 A 9 ILE H A 9 ILE HG1y 1.0 3.5 5.0 151 124 A 10 ILE H A 10 ILE HG1x 1.0 2.8 3.5 152 125 A 2 LEU H A 2 LEU HDy% 1.0 3.5 6.0 153 126 A 2 LEU H A 2 LEU HDx% 1.0 3.5 6.0 154 127 A 17 TRP HE1 A 17 TRP HBx 1.0 3.5 6.0 155 127 A 17 TRP HBy A 17 TRP HE1 1.0 3.5 6.0 156 128 A 17 TRP HE1 A 16 LEU HBx 1.0 3.5 6.0 157 128 A 16 LEU HBy A 17 TRP HE1 1.0 3.5 6.0 158 129 A 17 TRP HD1 A 17 TRP HE1 1.0 1.8 2.8 159 130 A 17 TRP HZ2 A 17 TRP HE1 1.0 1.8 2.8 160 131 A 14 GLN HE2y A 14 GLN HE2x 1.0 1.8 2.8 161 132 A 1 TYR HD% A 1 TYR HE% 1.0 1.8 6.8 162 133 A 4 ARG HH1% A 4 ARG HH2% 1.0 2.8 5.5 163 134 A 17 TRP HZ2 A 17 TRP HZ3 1.0 3.5 5.0 164 135 A 17 TRP HE3 A 17 TRP HZ3 1.0 1.8 2.8 165 136 A 17 TRP HE3 A 17 TRP HD1 1.0 3.5 5.0 166 137 A 17 TRP HD1 A 17 TRP H 1.0 1.8 2.8 167 138 A 17 TRP HD1 A 18 ASP H 1.0 3.5 5.0 168 139 A 17 TRP HE3 A 17 TRP H 1.0 3.5 5.0 169 140 A 17 TRP HE3 A 18 ASP H 1.0 2.8 3.5 170 141 A 3 GLY H A 4 ARG H 1.0 2.8 3.5 171 142 A 2 LEU H A 3 GLY H 1.0 2.8 3.5 172 143 A 11 LYS H A 12 LYS H 1.0 1.8 2.8 173 144 A 9 ILE H A 10 ILE H 1.0 1.8 2.8 174 145 A 8 ASP H A 10 ILE H 1.0 3.5 5.0 175 146 A 8 ASP H A 9 ILE H 1.0 1.8 2.8 176 147 A 8 ASP H A 7 GLY H 1.0 1.8 2.8 177 148 A 9 ILE H A 7 GLY H 1.0 3.5 5.0 178 149 A 13 MET H A 12 LYS H 1.0 1.8 2.8 179 150 A 15 THR H A 14 GLN H 1.0 2.8 3.5 180 151 A 16 LEU H A 17 TRP H 1.0 2.8 3.5 181 152 A 16 LEU H A 18 ASP H 1.0 3.5 5.0 182 153 A 18 ASP H A 19 GLU H 1.0 2.8 3.5 183 154 A 5 SER H A 4 ARG H 1.0 2.8 3.5 184 155 A 20 ILE H A 19 GLU H 1.0 2.8 3.5 185 156 A 5 SER H A 6 GLY H 1.0 2.8 3.5 186 157 A 14 GLN H A 13 MET H 1.0 2.8 3.5 187 158 A 18 ASP H A 17 TRP H 1.0 1.8 2.8 188 159 A 18 ASP H A 20 ILE H 1.0 3.5 5.0 189 160 A 19 GLU H A 17 TRP H 1.0 3.5 5.0 190 161 A 11 LYS H A 13 MET H 1.0 3.5 5.0 191 162 A 15 THR HA A 15 THR HB 1.0 1.8 2.8 192 163 A 18 ASP HA A 18 ASP HBx 1.0 1.8 2.8 193 164 A 17 TRP HA A 17 TRP HBx 1.0 1.8 3.8 194 164 A 17 TRP HA A 17 TRP HBy 1.0 1.8 3.8 195 165 A 14 GLN HA A 17 TRP HBx 1.0 3.5 6.0 196 165 A 14 GLN HA A 17 TRP HBy 1.0 3.5 6.0 197 166 A 15 THR HB A 18 ASP HBx 1.0 3.5 5.0 198 167 A 15 THR HB A 18 ASP HBy 1.0 3.5 5.0 199 168 A 18 ASP HA A 18 ASP HBy 1.0 2.8 3.5 200 169 A 1 TYR HA A 1 TYR HBx 1.0 1.8 3.8 201 169 A 1 TYR HA A 1 TYR HBy 1.0 1.8 3.8 202 170 A 8 ASP HA A 11 LYS HBx 1.0 1.8 3.8 203 170 A 8 ASP HA A 11 LYS HBy 1.0 1.8 3.8 204 171 A 11 LYS HA A 14 GLN HBx 1.0 1.8 2.8 205 172 A 11 LYS HA A 14 GLN HBy 1.0 3.5 5.0 206 173 A 10 ILE HA A 13 MET HBx 1.0 2.8 4.5 207 173 A 10 ILE HA A 13 MET HBy 1.0 2.8 4.5 208 174 A 9 ILE HB A 6 GLY HAx 1.0 3.5 6.0 209 174 A 6 GLY HAy A 9 ILE HB 1.0 3.5 6.0 210 175 A 10 ILE HB A 7 GLY HA2 1.0 3.5 6.0 211 175 A 7 GLY HA3 A 10 ILE HB 1.0 3.5 6.0 212 176 A 15 THR HB A 15 THR HG2% 1.0 1.8 3.8 213 177 A 15 THR HA A 15 THR HG2% 1.0 1.8 3.8 214 178 A 18 ASP HBx A 18 ASP HBy 1.0 1.8 2.8 215 179 A 15 THR H A 12 LYS HA 1.0 3.5 5.0 216 180 A 14 GLN HA A 17 TRP H 1.0 3.5 5.0 217 181 A 11 LYS H A 7 GLY HA2 1.0 3.5 6.0 218 181 A 11 LYS H A 7 GLY HA3 1.0 3.5 6.0 219 182 A 15 THR H A 11 LYS HA 1.0 3.5 5.0 220 183 A 13 MET HA A 17 TRP H 1.0 3.5 5.0 221 184 A 15 THR HA A 19 GLU H 1.0 2.8 3.5 222 185 A 20 ILE H A 16 LEU HA 1.0 3.5 5.0 223 186 A 16 LEU H A 14 GLN HA 1.0 3.5 5.0 224 187 A 11 LYS H A 10 ILE HA 1.0 2.8 3.5 225 188 A 15 THR H A 14 GLN HA 1.0 2.8 3.5 226 189 A 16 LEU HA A 17 TRP H 1.0 2.8 3.5 227 190 A 18 ASP HA A 19 GLU H 1.0 2.8 3.5 228 191 A 6 GLY H A 5 SER HBx 1.0 2.8 4.5 229 191 A 6 GLY H A 5 SER HBy 1.0 2.8 4.5 stop_ save_ save_Discover_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode Discover_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 21 MET H A 17 TRP O 1.0 1.8 2.5 2 2 A 20 ILE H A 16 LEU O 1.0 1.8 2.5 3 3 A 9 ILE H A 5 SER O 1.0 1.8 2.5 4 4 A 11 LYS H A 7 GLY O 1.0 1.8 2.5 5 5 A 12 LYS H A 8 ASP O 1.0 1.8 2.5 6 6 A 19 GLU H A 15 THR O 1.0 1.8 2.5 7 7 A 15 THR H A 11 LYS O 1.0 1.8 2.5 8 8 A 18 ASP H A 14 GLN O 1.0 1.8 2.5 9 9 A 16 LEU H A 12 LYS O 1.0 1.8 2.5 10 10 A 14 GLN H A 10 ILE O 1.0 1.8 2.5 11 11 A 17 TRP H A 13 MET O 1.0 1.8 2.5 stop_ save_ save_Discover_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode Discover_dihedral_6 _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 TYR CA A 1 TYR C A 2 LEU N A 2 LEU CA 1.0 178.0 180.0 OMEGA 2 2 A 2 LEU CA A 2 LEU C A 3 GLY N A 3 GLY CA 1.0 178.0 180.0 OMEGA 3 3 A 3 GLY CA A 3 GLY C A 4 ARG N A 4 ARG CA 1.0 178.0 180.0 OMEGA 4 4 A 4 ARG CA A 4 ARG C A 5 SER N A 5 SER CA 1.0 178.0 180.0 OMEGA 5 5 A 5 SER CA A 5 SER C A 6 GLY N A 6 GLY CA 1.0 178.0 180.0 OMEGA 6 6 A 6 GLY CA A 6 GLY C A 7 GLY N A 7 GLY CA 1.0 178.0 180.0 OMEGA 7 7 A 7 GLY CA A 7 GLY C A 8 ASP N A 8 ASP CA 1.0 178.0 180.0 OMEGA 8 8 A 8 ASP CA A 8 ASP C A 9 ILE N A 9 ILE CA 1.0 178.0 180.0 OMEGA 9 9 A 9 ILE CA A 9 ILE C A 10 ILE N A 10 ILE CA 1.0 178.0 180.0 OMEGA 10 10 A 10 ILE CA A 10 ILE C A 11 LYS N A 11 LYS CA 1.0 178.0 180.0 OMEGA 11 11 A 11 LYS CA A 11 LYS C A 12 LYS N A 12 LYS CA 1.0 178.0 180.0 OMEGA 12 12 A 12 LYS CA A 12 LYS C A 13 MET N A 13 MET CA 1.0 178.0 180.0 OMEGA 13 13 A 13 MET CA A 13 MET C A 14 GLN N A 14 GLN CA 1.0 178.0 180.0 OMEGA 14 14 A 14 GLN CA A 14 GLN C A 15 THR N A 15 THR CA 1.0 178.0 180.0 OMEGA 15 15 A 15 THR CA A 15 THR C A 16 LEU N A 16 LEU CA 1.0 178.0 180.0 OMEGA 16 16 A 16 LEU CA A 16 LEU C A 17 TRP N A 17 TRP CA 1.0 178.0 180.0 OMEGA 17 17 A 17 TRP CA A 17 TRP C A 18 ASP N A 18 ASP CA 1.0 178.0 180.0 OMEGA 18 18 A 18 ASP CA A 18 ASP C A 19 GLU N A 19 GLU CA 1.0 178.0 180.0 OMEGA 19 19 A 19 GLU CA A 19 GLU C A 20 ILE N A 20 ILE CA 1.0 178.0 180.0 OMEGA 20 20 A 20 ILE CA A 20 ILE C A 21 MET N A 21 MET CA 1.0 178.0 180.0 OMEGA stop_ save_ save_Discover_dihedral_7 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode Discover_dihedral_7 _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 14 GLN H A 14 GLN N A 14 GLN CA A 14 GLN HA 1.0 -100.0 -40.0 . 2 2 A 18 ASP H A 18 ASP N A 18 ASP CA A 18 ASP HA 1.0 -100.0 -40.0 . 3 3 A 10 ILE H A 10 ILE N A 10 ILE CA A 10 ILE HA 1.0 -100.0 -40.0 . 4 4 A 16 LEU H A 16 LEU N A 16 LEU CA A 16 LEU HA 1.0 -100.0 -40.0 . stop_ save_