################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 16808 _RDC_list.ID 1 _RDC_list.Name . _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 22 '2D 1H-15N TROSY' 1 $sample_1 . 16808 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 9 9 SER H H 1 . . 1 1 9 9 SER N N 15 . 2.230 . . 1.000 . . . 1 59 SER H 1 59 SER N 16808 1 2 DHN . 1 1 13 13 TYR H H 1 . . 1 1 13 13 TYR N N 15 . 8.360 . . 1.000 . . . 1 63 TYR H 1 63 TYR N 16808 1 3 DHN . 1 1 14 14 ALA H H 1 . . 1 1 14 14 ALA N N 15 . 5.440 . . 1.000 . . . 1 64 ALA H 1 64 ALA N 16808 1 4 DHN . 1 1 15 15 GLU H H 1 . . 1 1 15 15 GLU N N 15 . 4.330 . . 1.000 . . . 1 65 GLU H 1 65 GLU N 16808 1 5 DHN . 1 1 16 16 LEU H H 1 . . 1 1 16 16 LEU N N 15 . 7.450 . . 1.000 . . . 1 66 LEU H 1 66 LEU N 16808 1 6 DHN . 1 1 17 17 LEU H H 1 . . 1 1 17 17 LEU N N 15 . 7.320 . . 1.100 . . . 1 67 LEU H 1 67 LEU N 16808 1 7 DHN . 1 1 18 18 ALA H H 1 . . 1 1 18 18 ALA N N 15 . 4.380 . . 1.000 . . . 1 68 ALA H 1 68 ALA N 16808 1 8 DHN . 1 1 19 19 ILE H H 1 . . 1 1 19 19 ILE N N 15 . 4.940 . . 1.000 . . . 1 69 ILE H 1 69 ILE N 16808 1 9 DHN . 1 1 20 20 ILE H H 1 . . 1 1 20 20 ILE N N 15 . 5.740 . . 1.000 . . . 1 70 ILE H 1 70 ILE N 16808 1 10 DHN . 1 1 21 21 GLU H H 1 . . 1 1 21 21 GLU N N 15 . 6.450 . . 1.000 . . . 1 71 GLU H 1 71 GLU N 16808 1 11 DHN . 1 1 23 23 LEU H H 1 . . 1 1 23 23 LEU N N 15 . 5.650 . . 1.000 . . . 1 73 LEU H 1 73 LEU N 16808 1 12 DHN . 1 1 25 25 LYS H H 1 . . 1 1 25 25 LYS N N 15 . 4.090 . . 1.000 . . . 1 75 LYS H 1 75 LYS N 16808 1 13 DHN . 1 1 27 27 ILE H H 1 . . 1 1 27 27 ILE N N 15 . 3.080 . . 1.000 . . . 1 77 ILE H 1 77 ILE N 16808 1 14 DHN . 1 1 28 28 ARG H H 1 . . 1 1 28 28 ARG N N 15 . -0.190 . . 1.000 . . . 1 78 ARG H 1 78 ARG N 16808 1 15 DHN . 1 1 30 30 THR H H 1 . . 1 1 30 30 THR N N 15 . 3.830 . . 1.000 . . . 1 80 THR H 1 80 THR N 16808 1 16 DHN . 1 1 31 31 TYR H H 1 . . 1 1 31 31 TYR N N 15 . 3.110 . . 1.000 . . . 1 81 TYR H 1 81 TYR N 16808 1 17 DHN . 1 1 33 33 GLY H H 1 . . 1 1 33 33 GLY N N 15 . 4.680 . . 1.000 . . . 1 83 GLY H 1 83 GLY N 16808 1 18 DHN . 1 1 34 34 SER H H 1 . . 1 1 34 34 SER N N 15 . 0.030 . . 1.000 . . . 1 84 SER H 1 84 SER N 16808 1 19 DHN . 1 1 36 36 SER H H 1 . . 1 1 36 36 SER N N 15 . 2.060 . . 1.000 . . . 1 86 SER H 1 86 SER N 16808 1 20 DHN . 1 1 37 37 ALA H H 1 . . 1 1 37 37 ALA N N 15 . 4.440 . . 1.000 . . . 1 87 ALA H 1 87 ALA N 16808 1 21 DHN . 1 1 39 39 GLU H H 1 . . 1 1 39 39 GLU N N 15 . 4.710 . . 1.000 . . . 1 89 GLU H 1 89 GLU N 16808 1 22 DHN . 1 1 40 40 ARG H H 1 . . 1 1 40 40 ARG N N 15 . 4.080 . . 1.000 . . . 1 90 ARG H 1 90 ARG N 16808 1 23 DHN . 1 1 41 41 LEU H H 1 . . 1 1 41 41 LEU N N 15 . 8.240 . . 1.000 . . . 1 91 LEU H 1 91 LEU N 16808 1 24 DHN . 1 1 42 42 LYS H H 1 . . 1 1 42 42 LYS N N 15 . 5.000 . . 1.000 . . . 1 92 LYS H 1 92 LYS N 16808 1 25 DHN . 1 1 43 43 ARG H H 1 . . 1 1 43 43 ARG N N 15 . 3.450 . . 1.000 . . . 1 93 ARG H 1 93 ARG N 16808 1 26 DHN . 1 1 44 44 GLY H H 1 . . 1 1 44 44 GLY N N 15 . 4.110 . . 1.000 . . . 1 94 GLY H 1 94 GLY N 16808 1 27 DHN . 1 1 45 45 ILE H H 1 . . 1 1 45 45 ILE N N 15 . 5.920 . . 1.000 . . . 1 95 ILE H 1 95 ILE N 16808 1 28 DHN . 1 1 46 46 ILE H H 1 . . 1 1 46 46 ILE N N 15 . 5.840 . . 1.000 . . . 1 96 ILE H 1 96 ILE N 16808 1 29 DHN . 1 1 47 47 HIS H H 1 . . 1 1 47 47 HIS N N 15 . 5.010 . . 1.000 . . . 1 97 HIS H 1 97 HIS N 16808 1 30 DHN . 1 1 48 48 ALA H H 1 . . 1 1 48 48 ALA N N 15 . 5.220 . . 1.000 . . . 1 98 ALA H 1 98 ALA N 16808 1 31 DHN . 1 1 49 49 ARG H H 1 . . 1 1 49 49 ARG N N 15 . 7.820 . . 1.000 . . . 1 99 ARG H 1 99 ARG N 16808 1 32 DHN . 1 1 50 50 GLY H H 1 . . 1 1 50 50 GLY N N 15 . 2.780 . . 1.000 . . . 1 100 GLY H 1 100 GLY N 16808 1 33 DHN . 1 1 51 51 LEU H H 1 . . 1 1 51 51 LEU N N 15 . 5.910 . . 1.000 . . . 1 101 LEU H 1 101 LEU N 16808 1 34 DHN . 1 1 52 52 VAL H H 1 . . 1 1 52 52 VAL N N 15 . 6.720 . . 1.000 . . . 1 102 VAL H 1 102 VAL N 16808 1 35 DHN . 1 1 53 53 ARG H H 1 . . 1 1 53 53 ARG N N 15 . 6.210 . . 1.000 . . . 1 103 ARG H 1 103 ARG N 16808 1 36 DHN . 1 1 55 55 CYS H H 1 . . 1 1 55 55 CYS N N 15 . 6.910 . . 1.000 . . . 1 105 CYS H 1 105 CYS N 16808 1 37 DHN . 1 1 56 56 LEU H H 1 . . 1 1 56 56 LEU N N 15 . 5.980 . . 1.000 . . . 1 106 LEU H 1 106 LEU N 16808 1 38 DHN . 1 1 57 57 ALA H H 1 . . 1 1 57 57 ALA N N 15 . 5.790 . . 1.000 . . . 1 107 ALA H 1 107 ALA N 16808 1 39 DHN . 1 1 58 58 GLU H H 1 . . 1 1 58 58 GLU N N 15 . 4.110 . . 1.000 . . . 1 108 GLU H 1 108 GLU N 16808 1 40 DHN . 1 1 59 59 THR H H 1 . . 1 1 59 59 THR N N 15 . 6.030 . . 1.000 . . . 1 109 THR H 1 109 THR N 16808 1 41 DHN . 1 1 60 60 GLU H H 1 . . 1 1 60 60 GLU N N 15 . 1.910 . . 1.000 . . . 1 110 GLU H 1 110 GLU N 16808 1 42 DHN . 1 1 61 61 ARG H H 1 . . 1 1 61 61 ARG N N 15 . 0.670 . . 1.000 . . . 1 111 ARG H 1 111 ARG N 16808 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_2 _RDC_list.Entry_ID 16808 _RDC_list.ID 2 _RDC_list.Name . _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 23 '3D HNCO' 1 $sample_1 . 16808 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DCN(i+1) . 1 1 14 14 ALA C C 13 . . 1 1 15 15 GLU N N 15 1 -2.276 . . 0.229 . . . 1 64 ALA C 1 65 GLU N 16808 2 2 DCN(i+1) . 1 1 15 15 GLU C C 13 . . 1 1 16 16 LEU N N 15 1 0.281 . . 0.232 . . . 1 65 GLU C 1 66 LEU N 16808 2 3 DCN(i+1) . 1 1 17 17 LEU C C 13 . . 1 1 18 18 ALA N N 15 1 -0.794 . . 0.152 . . . 1 67 LEU C 1 68 ALA N 16808 2 4 DCN(i+1) . 1 1 18 18 ALA C C 13 . . 1 1 19 19 ILE N N 15 1 -1.357 . . 0.139 . . . 1 68 ALA C 1 69 ILE N 16808 2 5 DCN(i+1) . 1 1 21 21 GLU C C 13 . . 1 1 22 22 GLU N N 15 1 -1.763 . . 0.101 . . . 1 71 GLU C 1 72 GLU N 16808 2 6 DCN(i+1) . 1 1 22 22 GLU C C 13 . . 1 1 23 23 LEU N N 15 1 -1.412 . . 0.272 . . . 1 72 GLU C 1 73 LEU N 16808 2 7 DCN(i+1) . 1 1 23 23 LEU C C 13 . . 1 1 24 24 GLY N N 15 1 -1.262 . . 0.238 . . . 1 73 LEU C 1 74 GLY N 16808 2 8 DCN(i+1) . 1 1 24 24 GLY C C 13 . . 1 1 25 25 LYS N N 15 1 -0.505 . . 0.114 . . . 1 74 GLY C 1 75 LYS N 16808 2 9 DCN(i+1) . 1 1 25 25 LYS C C 13 . . 1 1 26 26 GLU N N 15 1 -2.284 . . 0.262 . . . 1 75 LYS C 1 76 GLU N 16808 2 10 DCN(i+1) . 1 1 26 26 GLU C C 13 . . 1 1 27 27 ILE N N 15 1 -0.932 . . 0.153 . . . 1 76 GLU C 1 77 ILE N 16808 2 11 DCN(i+1) . 1 1 27 27 ILE C C 13 . . 1 1 28 28 ARG N N 15 1 -1.940 . . 0.139 . . . 1 77 ILE C 1 78 ARG N 16808 2 12 DCN(i+1) . 1 1 29 29 PRO C C 13 . . 1 1 30 30 THR N N 15 1 1.161 . . 0.190 . . . 1 79 PRO C 1 80 THR N 16808 2 13 DCN(i+1) . 1 1 30 30 THR C C 13 . . 1 1 31 31 TYR N N 15 1 -1.311 . . 0.321 . . . 1 80 THR C 1 81 TYR N 16808 2 14 DCN(i+1) . 1 1 32 32 ALA C C 13 . . 1 1 33 33 GLY N N 15 1 -1.142 . . 0.160 . . . 1 82 ALA C 1 83 GLY N 16808 2 15 DCN(i+1) . 1 1 33 33 GLY C C 13 . . 1 1 34 34 SER N N 15 1 1.397 . . 0.114 . . . 1 83 GLY C 1 84 SER N 16808 2 16 DCN(i+1) . 1 1 34 34 SER C C 13 . . 1 1 35 35 LYS N N 15 1 -0.799 . . 0.201 . . . 1 84 SER C 1 85 LYS N 16808 2 17 DCN(i+1) . 1 1 35 35 LYS C C 13 . . 1 1 36 36 SER N N 15 1 -1.460 . . 0.063 . . . 1 85 LYS C 1 86 SER N 16808 2 18 DCN(i+1) . 1 1 36 36 SER C C 13 . . 1 1 37 37 ALA N N 15 1 -1.221 . . 0.164 . . . 1 86 SER C 1 87 ALA N 16808 2 19 DCN(i+1) . 1 1 37 37 ALA C C 13 . . 1 1 38 38 MET N N 15 1 0.109 . . 0.207 . . . 1 87 ALA C 1 88 MET N 16808 2 20 DCN(i+1) . 1 1 40 40 ARG C C 13 . . 1 1 41 41 LEU N N 15 1 0.288 . . 0.192 . . . 1 90 ARG C 1 91 LEU N 16808 2 21 DCN(i+1) . 1 1 41 41 LEU C C 13 . . 1 1 42 42 LYS N N 15 1 -0.680 . . 0.174 . . . 1 91 LEU C 1 92 LYS N 16808 2 22 DCN(i+1) . 1 1 42 42 LYS C C 13 . . 1 1 43 43 ARG N N 15 1 -0.732 . . 0.102 . . . 1 92 LYS C 1 93 ARG N 16808 2 23 DCN(i+1) . 1 1 43 43 ARG C C 13 . . 1 1 44 44 GLY N N 15 1 -1.911 . . 0.212 . . . 1 93 ARG C 1 94 GLY N 16808 2 24 DCN(i+1) . 1 1 44 44 GLY C C 13 . . 1 1 45 45 ILE N N 15 1 0.712 . . 0.139 . . . 1 94 GLY C 1 95 ILE N 16808 2 25 DCN(i+1) . 1 1 46 46 ILE C C 13 . . 1 1 47 47 HIS N N 15 1 -0.636 . . 0.203 . . . 1 96 ILE C 1 97 HIS N 16808 2 26 DCN(i+1) . 1 1 47 47 HIS C C 13 . . 1 1 48 48 ALA N N 15 1 -0.956 . . 0.151 . . . 1 97 HIS C 1 98 ALA N 16808 2 27 DCN(i+1) . 1 1 48 48 ALA C C 13 . . 1 1 49 49 ARG N N 15 1 -0.603 . . 0.147 . . . 1 98 ALA C 1 99 ARG N 16808 2 28 DCN(i+1) . 1 1 49 49 ARG C C 13 . . 1 1 50 50 GLY N N 15 1 -0.468 . . 0.265 . . . 1 99 ARG C 1 100 GLY N 16808 2 29 DCN(i+1) . 1 1 50 50 GLY C C 13 . . 1 1 51 51 LEU N N 15 1 -2.147 . . 0.339 . . . 1 100 GLY C 1 101 LEU N 16808 2 30 DCN(i+1) . 1 1 51 51 LEU C C 13 . . 1 1 52 52 VAL N N 15 1 0.425 . . 0.145 . . . 1 101 LEU C 1 102 VAL N 16808 2 31 DCN(i+1) . 1 1 52 52 VAL C C 13 . . 1 1 53 53 ARG N N 15 1 -1.061 . . 0.372 . . . 1 102 VAL C 1 103 ARG N 16808 2 32 DCN(i+1) . 1 1 55 55 CYS C C 13 . . 1 1 56 56 LEU N N 15 1 -0.129 . . 0.238 . . . 1 105 CYS C 1 106 LEU N 16808 2 33 DCN(i+1) . 1 1 56 56 LEU C C 13 . . 1 1 57 57 ALA N N 15 1 -1.048 . . 0.088 . . . 1 106 LEU C 1 107 ALA N 16808 2 34 DCN(i+1) . 1 1 57 57 ALA C C 13 . . 1 1 58 58 GLU N N 15 1 -1.387 . . 0.223 . . . 1 107 ALA C 1 108 GLU N 16808 2 35 DCN(i+1) . 1 1 58 58 GLU C C 13 . . 1 1 59 59 THR N N 15 1 -0.139 . . 0.175 . . . 1 108 GLU C 1 109 THR N 16808 2 36 DCN(i+1) . 1 1 59 59 THR C C 13 . . 1 1 60 60 GLU N N 15 1 -1.022 . . 0.137 . . . 1 109 THR C 1 110 GLU N 16808 2 37 DCN(i+1) . 1 1 60 60 GLU C C 13 . . 1 1 61 61 ARG N N 15 1 -0.397 . . 0.074 . . . 1 110 GLU C 1 111 ARG N 16808 2 38 DCN(i+1) . 1 1 62 62 ASN C C 13 . . 1 1 63 63 ALA N N 15 1 0.016 . . 0.061 . . . 1 112 ASN C 1 113 ALA N 16808 2 39 DCN(i+1) . 1 1 63 63 ALA C C 13 . . 1 1 64 64 ARG N N 15 1 -0.508 . . 0.038 . . . 1 113 ALA C 1 114 ARG N 16808 2 40 DCN(i+1) . 1 1 64 64 ARG C C 13 . . 1 1 65 65 SER N N 15 1 0.003 . . 0.060 . . . 1 114 ARG C 1 115 SER N 16808 2 stop_ save_