################################ # Residual dipolar couplings # ################################ save_NH_RDC _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode NH_RDC _RDC_list.Entry_ID 7074 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $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 . . 2 $sample_2 anisotropic 7074 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $NMRPipe . . 7074 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 DNHN . 1 1 12 12 ARG H H 1 . . 1 1 12 12 ARG N N 15 . 9.490000 . . 1.000000 . . . . . . . . . . . 7074 1 2 DNHN . 1 1 13 13 ARG H H 1 . . 1 1 13 13 ARG N N 15 . 12.400000 . . 1.000000 . . . . . . . . . . . 7074 1 3 DNHN . 1 1 14 14 GLU H H 1 . . 1 1 14 14 GLU N N 15 . 6.700000 . . 1.000000 . . . . . . . . . . . 7074 1 4 DNHN . 1 1 15 15 LYS H H 1 . . 1 1 15 15 LYS N N 15 . 4.200000 . . 1.000000 . . . . . . . . . . . 7074 1 5 DNHN . 1 1 17 17 ILE H H 1 . . 1 1 17 17 ILE N N 15 . 10.300000 . . 1.000000 . . . . . . . . . . . 7074 1 6 DNHN . 1 1 18 18 GLU H H 1 . . 1 1 18 18 GLU N N 15 . -11.960000 . . 1.000000 . . . . . . . . . . . 7074 1 7 DNHN . 1 1 19 19 LEU H H 1 . . 1 1 19 19 LEU N N 15 . 1.860000 . . 1.000000 . . . . . . . . . . . 7074 1 8 DNHN . 1 1 20 20 LEU H H 1 . . 1 1 20 20 LEU N N 15 . 13.870000 . . 1.000000 . . . . . . . . . . . 7074 1 9 DNHN . 1 1 21 21 LEU H H 1 . . 1 1 21 21 LEU N N 15 . 1.830000 . . 1.000000 . . . . . . . . . . . 7074 1 10 DNHN . 1 1 22 22 GLU H H 1 . . 1 1 22 22 GLU N N 15 . -1.240000 . . 1.000000 . . . . . . . . . . . 7074 1 11 DNHN . 1 1 23 23 GLY H H 1 . . 1 1 23 23 GLY N N 15 . 14.530000 . . 1.000000 . . . . . . . . . . . 7074 1 12 DNHN . 1 1 24 24 ASP H H 1 . . 1 1 24 24 ASP N N 15 . 16.550000 . . 1.000000 . . . . . . . . . . . 7074 1 13 DNHN . 1 1 25 25 TYR H H 1 . . 1 1 25 25 TYR N N 15 . 13.940000 . . 1.000000 . . . . . . . . . . . 7074 1 14 DNHN . 1 1 26 26 SER H H 1 . . 1 1 26 26 SER N N 15 . 13.110000 . . 1.000000 . . . . . . . . . . . 7074 1 15 DNHN . 1 1 28 28 SER H H 1 . . 1 1 28 28 SER N N 15 . -6.840000 . . 1.000000 . . . . . . . . . . . 7074 1 16 DNHN . 1 1 29 29 GLU H H 1 . . 1 1 29 29 GLU N N 15 . -1.300000 . . 1.000000 . . . . . . . . . . . 7074 1 17 DNHN . 1 1 30 30 LEU H H 1 . . 1 1 30 30 LEU N N 15 . -4.690000 . . 1.000000 . . . . . . . . . . . 7074 1 18 DNHN . 1 1 32 32 ARG H H 1 . . 1 1 32 32 ARG N N 15 . -1.180000 . . 1.000000 . . . . . . . . . . . 7074 1 19 DNHN . 1 1 33 33 ILE H H 1 . . 1 1 33 33 ILE N N 15 . -1.420000 . . 1.000000 . . . . . . . . . . . 7074 1 20 DNHN . 1 1 34 34 LEU H H 1 . . 1 1 34 34 LEU N N 15 . 12.380000 . . 1.000000 . . . . . . . . . . . 7074 1 21 DNHN . 1 1 35 35 ASP H H 1 . . 1 1 35 35 ASP N N 15 . 9.270000 . . 1.000000 . . . . . . . . . . . 7074 1 22 DNHN . 1 1 43 43 LYS H H 1 . . 1 1 43 43 LYS N N 15 . -3.420000 . . 1.000000 . . . . . . . . . . . 7074 1 23 DNHN . 1 1 44 44 VAL H H 1 . . 1 1 44 44 VAL N N 15 . 6.040000 . . 1.000000 . . . . . . . . . . . 7074 1 24 DNHN . 1 1 45 45 ILE H H 1 . . 1 1 45 45 ILE N N 15 . -0.370000 . . 1.000000 . . . . . . . . . . . 7074 1 25 DNHN . 1 1 46 46 LEU H H 1 . . 1 1 46 46 LEU N N 15 . -7.020000 . . 1.000000 . . . . . . . . . . . 7074 1 26 DNHN . 1 1 47 47 GLU H H 1 . . 1 1 47 47 GLU N N 15 . 0.160000 . . 1.000000 . . . . . . . . . . . 7074 1 27 DNHN . 1 1 48 48 ASP H H 1 . . 1 1 48 48 ASP N N 15 . 2.940000 . . 1.000000 . . . . . . . . . . . 7074 1 28 DNHN . 1 1 49 49 LEU H H 1 . . 1 1 49 49 LEU N N 15 . -7.110000 . . 1.000000 . . . . . . . . . . . 7074 1 29 DNHN . 1 1 51 51 VAL H H 1 . . 1 1 51 51 VAL N N 15 . 1.990000 . . 1.000000 . . . . . . . . . . . 7074 1 30 DNHN . 1 1 53 53 SER H H 1 . . 1 1 53 53 SER N N 15 . -11.000000 . . 1.000000 . . . . . . . . . . . 7074 1 31 DNHN . 1 1 54 54 LYS H H 1 . . 1 1 54 54 LYS N N 15 . -2.730000 . . 1.000000 . . . . . . . . . . . 7074 1 32 DNHN . 1 1 55 55 ILE H H 1 . . 1 1 55 55 ILE N N 15 . -1.240000 . . 1.000000 . . . . . . . . . . . 7074 1 33 DNHN . 1 1 56 56 ALA H H 1 . . 1 1 56 56 ALA N N 15 . -12.660000 . . 1.000000 . . . . . . . . . . . 7074 1 34 DNHN . 1 1 57 57 LYS H H 1 . . 1 1 57 57 LYS N N 15 . 6.000000 . . 1.000000 . . . . . . . . . . . 7074 1 35 DNHN . 1 1 58 58 ARG H H 1 . . 1 1 58 58 ARG N N 15 . -8.310000 . . 1.000000 . . . . . . . . . . . 7074 1 36 DNHN . 1 1 59 59 GLU H H 1 . . 1 1 59 59 GLU N N 15 . -12.540000 . . 1.000000 . . . . . . . . . . . 7074 1 37 DNHN . 1 1 60 60 GLY H H 1 . . 1 1 60 60 GLY N N 15 . 0.820000 . . 1.000000 . . . . . . . . . . . 7074 1 38 DNHN . 1 1 63 63 LEU H H 1 . . 1 1 63 63 LEU N N 15 . 12.440000 . . 1.000000 . . . . . . . . . . . 7074 1 39 DNHN . 1 1 64 64 LEU H H 1 . . 1 1 64 64 LEU N N 15 . -4.300000 . . 1.000000 . . . . . . . . . . . 7074 1 40 DNHN . 1 1 66 66 LYS H H 1 . . 1 1 66 66 LYS N N 15 . -0.400000 . . 1.000000 . . . . . . . . . . . 7074 1 41 DNHN . 1 1 68 68 ALA H H 1 . . 1 1 68 68 ALA N N 15 . 16.610000 . . 1.000000 . . . . . . . . . . . 7074 1 42 DNHN . 1 1 69 69 GLN H H 1 . . 1 1 69 69 GLN N N 15 . -0.380000 . . 1.000000 . . . . . . . . . . . 7074 1 43 DNHN . 1 1 70 70 CYS H H 1 . . 1 1 70 70 CYS N N 15 . 2.370000 . . 1.000000 . . . . . . . . . . . 7074 1 44 DNHN . 1 1 71 71 ARG H H 1 . . 1 1 71 71 ARG N N 15 . -4.820000 . . 1.000000 . . . . . . . . . . . 7074 1 45 DNHN . 1 1 72 72 LYS H H 1 . . 1 1 72 72 LYS N N 15 . -17.950000 . . 1.000000 . . . . . . . . . . . 7074 1 46 DNHN . 1 1 73 73 CYS H H 1 . . 1 1 73 73 CYS N N 15 . 11.830000 . . 1.000000 . . . . . . . . . . . 7074 1 47 DNHN . 1 1 74 74 GLY H H 1 . . 1 1 74 74 GLY N N 15 . -0.030000 . . 1.000000 . . . . . . . . . . . 7074 1 48 DNHN . 1 1 75 75 PHE H H 1 . . 1 1 75 75 PHE N N 15 . -12.170000 . . 1.000000 . . . . . . . . . . . 7074 1 49 DNHN . 1 1 76 76 VAL H H 1 . . 1 1 76 76 VAL N N 15 . -1.100000 . . 1.000000 . . . . . . . . . . . 7074 1 50 DNHN . 1 1 77 77 PHE H H 1 . . 1 1 77 77 PHE N N 15 . 0.530000 . . 1.000000 . . . . . . . . . . . 7074 1 51 DNHN . 1 1 78 78 LYS H H 1 . . 1 1 78 78 LYS N N 15 . -9.730000 . . 1.000000 . . . . . . . . . . . 7074 1 52 DNHN . 1 1 80 80 GLU H H 1 . . 1 1 80 80 GLU N N 15 . 10.920000 . . 1.000000 . . . . . . . . . . . 7074 1 53 DNHN . 1 1 81 81 ILE H H 1 . . 1 1 81 81 ILE N N 15 . -3.060000 . . 1.000000 . . . . . . . . . . . 7074 1 54 DNHN . 1 1 82 82 ASN H H 1 . . 1 1 82 82 ASN N N 15 . 10.640000 . . 1.000000 . . . . . . . . . . . 7074 1 55 DNHN . 1 1 86 86 ARG H H 1 . . 1 1 86 86 ARG N N 15 . 8.000000 . . 1.000000 . . . . . . . . . . . 7074 1 56 DNHN . 1 1 87 87 CYS H H 1 . . 1 1 87 87 CYS N N 15 . 9.780000 . . 1.000000 . . . . . . . . . . . 7074 1 57 DNHN . 1 1 89 89 LYS H H 1 . . 1 1 89 89 LYS N N 15 . -11.710000 . . 1.000000 . . . . . . . . . . . 7074 1 58 DNHN . 1 1 90 90 CYS H H 1 . . 1 1 90 90 CYS N N 15 . -18.680000 . . 1.000000 . . . . . . . . . . . 7074 1 59 DNHN . 1 1 91 91 LYS H H 1 . . 1 1 91 91 LYS N N 15 . 0.830000 . . 1.000000 . . . . . . . . . . . 7074 1 60 DNHN . 1 1 92 92 SER H H 1 . . 1 1 92 92 SER N N 15 . 1.850000 . . 1.000000 . . . . . . . . . . . 7074 1 61 DNHN . 1 1 93 93 GLU H H 1 . . 1 1 93 93 GLU N N 15 . 4.550000 . . 1.000000 . . . . . . . . . . . 7074 1 62 DNHN . 1 1 94 94 TRP H H 1 . . 1 1 94 94 TRP N N 15 . -9.800000 . . 1.000000 . . . . . . . . . . . 7074 1 63 DNHN . 1 1 95 95 ILE H H 1 . . 1 1 95 95 ILE N N 15 . 2.210000 . . 1.000000 . . . . . . . . . . . 7074 1 64 DNHN . 1 1 96 96 GLU H H 1 . . 1 1 96 96 GLU N N 15 . -1.920000 . . 1.000000 . . . . . . . . . . . 7074 1 65 DNHN . 1 1 97 97 GLU H H 1 . . 1 1 97 97 GLU N N 15 . -8.290000 . . 1.000000 . . . . . . . . . . . 7074 1 66 DNHN . 1 1 99 99 ARG H H 1 . . 1 1 99 99 ARG N N 15 . 0.040000 . . 1.000000 . . . . . . . . . . . 7074 1 67 DNHN . 1 1 100 100 PHE H H 1 . . 1 1 100 100 PHE N N 15 . 3.580000 . . 1.000000 . . . . . . . . . . . 7074 1 68 DNHN . 1 1 101 101 LYS H H 1 . . 1 1 101 101 LYS N N 15 . 1.840000 . . 1.000000 . . . . . . . . . . . 7074 1 69 DNHN . 1 1 102 102 LEU H H 1 . . 1 1 102 102 LEU N N 15 . 5.340000 . . 1.000000 . . . . . . . . . . . 7074 1 70 DNHN . 1 1 103 103 GLU H H 1 . . 1 1 103 103 GLU N N 15 . 5.600000 . . 1.000000 . . . . . . . . . . . 7074 1 71 DNHN . 1 1 104 104 ARG H H 1 . . 1 1 104 104 ARG N N 15 . 12.730000 . . 1.000000 . . . . . . . . . . . 7074 1 72 DNHN . 1 1 105 105 LYS H H 1 . . 1 1 105 105 LYS N N 15 . 7.880000 . . 1.000000 . . . . . . . . . . . 7074 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_HNCO_RDC _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode HNCO_RDC _RDC_list.Entry_ID 7074 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $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 . . 2 $sample_2 anisotropic 7074 2 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $NMRPipe . . 7074 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 DHNCO . 1 1 21 21 LEU H H 1 . . 1 1 20 20 LEU C C 13 . -5.14000 . . 1.000000 . . . . . . . . . . . 7074 2 2 DHNCO . 1 1 53 53 SER H H 1 . . 1 1 52 52 ILE C C 13 . -5.05000 . . 1.000000 . . . . . . . . . . . 7074 2 3 DHNCO . 1 1 75 75 PHE H H 1 . . 1 1 74 74 GLY C C 13 . -3.37000 . . 1.000000 . . . . . . . . . . . 7074 2 4 DHNCO . 1 1 102 102 LEU H H 1 . . 1 1 101 101 LYS C C 13 . -3.17000 . . 1.000000 . . . . . . . . . . . 7074 2 5 DHNCO . 1 1 74 74 GLY H H 1 . . 1 1 73 73 CYS C C 13 . -2.92000 . . 1.000000 . . . . . . . . . . . 7074 2 6 DHNCO . 1 1 61 61 MET H H 1 . . 1 1 60 60 GLY C C 13 . -2.83000 . . 1.000000 . . . . . . . . . . . 7074 2 7 DHNCO . 1 1 31 31 ALA H H 1 . . 1 1 30 30 LEU C C 13 . -2.52000 . . 1.000000 . . . . . . . . . . . 7074 2 8 DHNCO . 1 1 70 70 CYS H H 1 . . 1 1 69 69 GLN C C 13 . -2.49000 . . 1.000000 . . . . . . . . . . . 7074 2 9 DHNCO . 1 1 50 50 LYS H H 1 . . 1 1 49 49 LEU C C 13 . -2.34000 . . 1.000000 . . . . . . . . . . . 7074 2 10 DHNCO . 1 1 90 90 CYS H H 1 . . 1 1 89 89 LYS C C 13 . -2.22000 . . 1.000000 . . . . . . . . . . . 7074 2 11 DHNCO . 1 1 43 43 LYS H H 1 . . 1 1 42 42 LYS C C 13 . -1.52000 . . 1.000000 . . . . . . . . . . . 7074 2 12 DHNCO . 1 1 99 99 ARG H H 1 . . 1 1 98 98 PRO C C 13 . -1.44000 . . 1.000000 . . . . . . . . . . . 7074 2 13 DHNCO . 1 1 12 12 ARG H H 1 . . 1 1 11 11 THR C C 13 . -1.36000 . . 1.000000 . . . . . . . . . . . 7074 2 14 DHNCO . 1 1 60 60 GLY H H 1 . . 1 1 59 59 GLU C C 13 . -1.27000 . . 1.000000 . . . . . . . . . . . 7074 2 15 DHNCO . 1 1 49 49 LEU H H 1 . . 1 1 48 48 ASP C C 13 . -1.16000 . . 1.000000 . . . . . . . . . . . 7074 2 16 DHNCO . 1 1 15 15 LYS H H 1 . . 1 1 14 14 GLU C C 13 . -1.14000 . . 1.000000 . . . . . . . . . . . 7074 2 17 DHNCO . 1 1 97 97 GLU H H 1 . . 1 1 96 96 GLU C C 13 . -1.07000 . . 1.000000 . . . . . . . . . . . 7074 2 18 DHNCO . 1 1 28 28 SER H H 1 . . 1 1 27 27 PRO C C 13 . -0.96000 . . 1.000000 . . . . . . . . . . . 7074 2 19 DHNCO . 1 1 63 63 LEU H H 1 . . 1 1 62 62 VAL C C 13 . -0.82000 . . 1.000000 . . . . . . . . . . . 7074 2 20 DHNCO . 1 1 14 14 GLU H H 1 . . 1 1 13 13 ARG C C 13 . -0.72000 . . 1.000000 . . . . . . . . . . . 7074 2 21 DHNCO . 1 1 56 56 ALA H H 1 . . 1 1 55 55 ILE C C 13 . -0.68000 . . 1.000000 . . . . . . . . . . . 7074 2 22 DHNCO . 1 1 96 96 GLU H H 1 . . 1 1 95 95 ILE C C 13 . -0.59000 . . 1.000000 . . . . . . . . . . . 7074 2 23 DHNCO . 1 1 104 104 ARG H H 1 . . 1 1 103 103 GLU C C 13 . -0.52000 . . 1.000000 . . . . . . . . . . . 7074 2 24 DHNCO . 1 1 83 83 ILE H H 1 . . 1 1 82 82 ASN C C 13 . -0.49000 . . 1.000000 . . . . . . . . . . . 7074 2 25 DHNCO . 1 1 33 33 ILE H H 1 . . 1 1 32 32 ARG C C 13 . -0.09000 . . 1.000000 . . . . . . . . . . . 7074 2 26 DHNCO . 1 1 19 19 LEU H H 1 . . 1 1 18 18 GLU C C 13 . -0.01000 . . 1.000000 . . . . . . . . . . . 7074 2 27 DHNCO . 1 1 22 22 GLU H H 1 . . 1 1 21 21 LEU C C 13 . 0.000000 . . 1.000000 . . . . . . . . . . . 7074 2 28 DHNCO . 1 1 29 29 GLU H H 1 . . 1 1 28 28 SER C C 13 . 0.000000 . . 1.000000 . . . . . . . . . . . 7074 2 29 DHNCO . 1 1 77 77 PHE H H 1 . . 1 1 76 76 VAL C C 13 . 0.080000 . . 1.000000 . . . . . . . . . . . 7074 2 30 DHNCO . 1 1 23 23 GLY H H 1 . . 1 1 22 22 GLU C C 13 . 0.100000 . . 1.000000 . . . . . . . . . . . 7074 2 31 DHNCO . 1 1 58 58 ARG H H 1 . . 1 1 57 57 LYS C C 13 . 0.190000 . . 1.000000 . . . . . . . . . . . 7074 2 32 DHNCO . 1 1 51 51 VAL H H 1 . . 1 1 50 50 LYS C C 13 . 0.230000 . . 1.000000 . . . . . . . . . . . 7074 2 33 DHNCO . 1 1 76 76 VAL H H 1 . . 1 1 75 75 PHE C C 13 . 0.260000 . . 1.000000 . . . . . . . . . . . 7074 2 34 DHNCO . 1 1 47 47 GLU H H 1 . . 1 1 46 46 LEU C C 13 . 0.270000 . . 1.000000 . . . . . . . . . . . 7074 2 35 DHNCO . 1 1 34 34 LEU H H 1 . . 1 1 33 33 ILE C C 13 . 0.370000 . . 1.000000 . . . . . . . . . . . 7074 2 36 DHNCO . 1 1 89 89 LYS H H 1 . . 1 1 88 88 PRO C C 13 . 0.490000 . . 1.000000 . . . . . . . . . . . 7074 2 37 DHNCO . 1 1 80 80 GLU H H 1 . . 1 1 79 79 ALA C C 13 . 0.540000 . . 1.000000 . . . . . . . . . . . 7074 2 38 DHNCO . 1 1 92 92 SER H H 1 . . 1 1 91 91 LYS C C 13 . 0.590000 . . 1.000000 . . . . . . . . . . . 7074 2 39 DHNCO . 1 1 30 30 LEU H H 1 . . 1 1 29 29 GLU C C 13 . 0.730000 . . 1.000000 . . . . . . . . . . . 7074 2 40 DHNCO . 1 1 95 95 ILE H H 1 . . 1 1 94 94 TRP C C 13 . 0.920000 . . 1.000000 . . . . . . . . . . . 7074 2 41 DHNCO . 1 1 18 18 GLU H H 1 . . 1 1 17 17 ILE C C 13 . 0.970000 . . 1.000000 . . . . . . . . . . . 7074 2 42 DHNCO . 1 1 44 44 VAL H H 1 . . 1 1 43 43 LYS C C 13 . 1.150000 . . 1.000000 . . . . . . . . . . . 7074 2 43 DHNCO . 1 1 71 71 ARG H H 1 . . 1 1 70 70 CYS C C 13 . 1.170000 . . 1.000000 . . . . . . . . . . . 7074 2 44 DHNCO . 1 1 26 26 SER H H 1 . . 1 1 25 25 TYR C C 13 . 1.230000 . . 1.000000 . . . . . . . . . . . 7074 2 45 DHNCO . 1 1 59 59 GLU H H 1 . . 1 1 58 58 ARG C C 13 . 1.280000 . . 1.000000 . . . . . . . . . . . 7074 2 46 DHNCO . 1 1 93 93 GLU H H 1 . . 1 1 92 92 SER C C 13 . 1.380000 . . 1.000000 . . . . . . . . . . . 7074 2 47 DHNCO . 1 1 94 94 TRP H H 1 . . 1 1 93 93 GLU C C 13 . 1.430000 . . 1.000000 . . . . . . . . . . . 7074 2 48 DHNCO . 1 1 55 55 ILE H H 1 . . 1 1 54 54 LYS C C 13 . 1.480000 . . 1.000000 . . . . . . . . . . . 7074 2 49 DHNCO . 1 1 66 66 LYS H H 1 . . 1 1 65 65 ILE C C 13 . 1.490000 . . 1.000000 . . . . . . . . . . . 7074 2 50 DHNCO . 1 1 72 72 LYS H H 1 . . 1 1 71 71 ARG C C 13 . 1.590000 . . 1.000000 . . . . . . . . . . . 7074 2 51 DHNCO . 1 1 24 24 ASP H H 1 . . 1 1 23 23 GLY C C 13 . 1.860000 . . 1.000000 . . . . . . . . . . . 7074 2 52 DHNCO . 1 1 86 86 ARG H H 1 . . 1 1 85 85 SER C C 13 . 1.910000 . . 1.000000 . . . . . . . . . . . 7074 2 53 DHNCO . 1 1 54 54 LYS H H 1 . . 1 1 53 53 SER C C 13 . 2.000000 . . 1.000000 . . . . . . . . . . . 7074 2 54 DHNCO . 1 1 78 78 LYS H H 1 . . 1 1 77 77 PHE C C 13 . 2.420000 . . 1.000000 . . . . . . . . . . . 7074 2 55 DHNCO . 1 1 69 69 GLN H H 1 . . 1 1 68 68 ALA C C 13 . 2.560000 . . 1.000000 . . . . . . . . . . . 7074 2 56 DHNCO . 1 1 32 32 ARG H H 1 . . 1 1 31 31 ALA C C 13 . 2.570000 . . 1.000000 . . . . . . . . . . . 7074 2 57 DHNCO . 1 1 81 81 ILE H H 1 . . 1 1 80 80 GLU C C 13 . 2.870000 . . 1.000000 . . . . . . . . . . . 7074 2 58 DHNCO . 1 1 48 48 ASP H H 1 . . 1 1 47 47 GLU C C 13 . 3.130000 . . 1.000000 . . . . . . . . . . . 7074 2 59 DHNCO . 1 1 64 64 LEU H H 1 . . 1 1 63 63 LEU C C 13 . 3.650000 . . 1.000000 . . . . . . . . . . . 7074 2 60 DHNCO . 1 1 68 68 ALA H H 1 . . 1 1 67 67 PRO C C 13 . 3.700000 . . 1.000000 . . . . . . . . . . . 7074 2 61 DHNCO . 1 1 87 87 CYS H H 1 . . 1 1 86 86 ARG C C 13 . 3.910000 . . 1.000000 . . . . . . . . . . . 7074 2 62 DHNCO . 1 1 20 20 LEU H H 1 . . 1 1 19 19 LEU C C 13 . 3.980000 . . 1.000000 . . . . . . . . . . . 7074 2 63 DHNCO . 1 1 73 73 CYS H H 1 . . 1 1 72 72 LYS C C 13 . 4.030000 . . 1.000000 . . . . . . . . . . . 7074 2 64 DHNCO . 1 1 105 105 LYS H H 1 . . 1 1 104 104 ARG C C 13 . 4.130000 . . 1.000000 . . . . . . . . . . . 7074 2 65 DHNCO . 1 1 82 82 ASN H H 1 . . 1 1 81 81 ILE C C 13 . 4.310000 . . 1.000000 . . . . . . . . . . . 7074 2 66 DHNCO . 1 1 45 45 ILE H H 1 . . 1 1 44 44 VAL C C 13 . 4.480000 . . 1.000000 . . . . . . . . . . . 7074 2 67 DHNCO . 1 1 13 13 ARG H H 1 . . 1 1 12 12 ARG C C 13 . 4.770000 . . 1.000000 . . . . . . . . . . . 7074 2 68 DHNCO . 1 1 25 25 TYR H H 1 . . 1 1 24 24 ASP C C 13 . 4.870000 . . 1.000000 . . . . . . . . . . . 7074 2 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_NCO_RDC _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode NCO_RDC _RDC_list.Entry_ID 7074 _RDC_list.ID 3 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $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 . . 2 $sample_2 anisotropic 7074 3 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $NMRPipe . . 7074 3 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 DNCO . 1 1 102 102 LEU N N 15 . . 1 1 101 101 LYS C C 13 . -2.400000 . . 1.000000 . . . . . . . . . . . 7074 3 2 DNCO . 1 1 53 53 SER N N 15 . . 1 1 52 52 ILE C C 13 . -1.880000 . . 1.000000 . . . . . . . . . . . 7074 3 3 DNCO . 1 1 104 104 ARG N N 15 . . 1 1 103 103 GLU C C 13 . -1.720000 . . 1.000000 . . . . . . . . . . . 7074 3 4 DNCO . 1 1 74 74 GLY N N 15 . . 1 1 73 73 CYS C C 13 . -1.710000 . . 1.000000 . . . . . . . . . . . 7074 3 5 DNCO . 1 1 46 46 LEU N N 15 . . 1 1 45 45 ILE C C 13 . -1.660000 . . 1.000000 . . . . . . . . . . . 7074 3 6 DNCO . 1 1 70 70 CYS N N 15 . . 1 1 69 69 GLN C C 13 . -1.640000 . . 1.000000 . . . . . . . . . . . 7074 3 7 DNCO . 1 1 14 14 GLU N N 15 . . 1 1 13 13 ARG C C 13 . -1.570000 . . 1.000000 . . . . . . . . . . . 7074 3 8 DNCO . 1 1 23 23 GLY N N 15 . . 1 1 22 22 GLU C C 13 . -1.530000 . . 1.000000 . . . . . . . . . . . 7074 3 9 DNCO . 1 1 21 21 LEU N N 15 . . 1 1 20 20 LEU C C 13 . -1.500000 . . 1.000000 . . . . . . . . . . . 7074 3 10 DNCO . 1 1 26 26 SER N N 15 . . 1 1 25 25 TYR C C 13 . -1.430000 . . 1.000000 . . . . . . . . . . . 7074 3 11 DNCO . 1 1 63 63 LEU N N 15 . . 1 1 62 62 VAL C C 13 . -1.330000 . . 1.000000 . . . . . . . . . . . 7074 3 12 DNCO . 1 1 72 72 LYS N N 15 . . 1 1 71 71 ARG C C 13 . -1.200000 . . 1.000000 . . . . . . . . . . . 7074 3 13 DNCO . 1 1 24 24 ASP N N 15 . . 1 1 23 23 GLY C C 13 . -1.100000 . . 1.000000 . . . . . . . . . . . 7074 3 14 DNCO . 1 1 12 12 ARG N N 15 . . 1 1 11 11 THR C C 13 . -1.080000 . . 1.000000 . . . . . . . . . . . 7074 3 15 DNCO . 1 1 60 60 GLY N N 15 . . 1 1 59 59 GLU C C 13 . -0.930000 . . 1.000000 . . . . . . . . . . . 7074 3 16 DNCO . 1 1 99 99 ARG N N 15 . . 1 1 98 98 PRO C C 13 . -0.830000 . . 1.000000 . . . . . . . . . . . 7074 3 17 DNCO . 1 1 97 97 GLU N N 15 . . 1 1 96 96 GLU C C 13 . -0.760000 . . 1.000000 . . . . . . . . . . . 7074 3 18 DNCO . 1 1 61 61 MET N N 15 . . 1 1 60 60 GLY C C 13 . -0.590000 . . 1.000000 . . . . . . . . . . . 7074 3 19 DNCO . 1 1 96 96 GLU N N 15 . . 1 1 95 95 ILE C C 13 . -0.580000 . . 1.000000 . . . . . . . . . . . 7074 3 20 DNCO . 1 1 51 51 VAL N N 15 . . 1 1 50 50 LYS C C 13 . -0.460000 . . 1.000000 . . . . . . . . . . . 7074 3 21 DNCO . 1 1 33 33 ILE N N 15 . . 1 1 32 32 ARG C C 13 . -0.450000 . . 1.000000 . . . . . . . . . . . 7074 3 22 DNCO . 1 1 31 31 ALA N N 15 . . 1 1 30 30 LEU C C 13 . -0.440000 . . 1.000000 . . . . . . . . . . . 7074 3 23 DNCO . 1 1 15 15 LYS N N 15 . . 1 1 14 14 GLU C C 13 . -0.160000 . . 1.000000 . . . . . . . . . . . 7074 3 24 DNCO . 1 1 49 49 LEU N N 15 . . 1 1 48 48 ASP C C 13 . -0.150000 . . 1.000000 . . . . . . . . . . . 7074 3 25 DNCO . 1 1 44 44 VAL N N 15 . . 1 1 43 43 LYS C C 13 . -0.150000 . . 1.000000 . . . . . . . . . . . 7074 3 26 DNCO . 1 1 29 29 GLU N N 15 . . 1 1 28 28 SER C C 13 . -0.130000 . . 1.000000 . . . . . . . . . . . 7074 3 27 DNCO . 1 1 76 76 VAL N N 15 . . 1 1 75 75 PHE C C 13 . -0.100000 . . 1.000000 . . . . . . . . . . . 7074 3 28 DNCO . 1 1 28 28 SER N N 15 . . 1 1 27 27 PRO C C 13 . -0.090000 . . 1.000000 . . . . . . . . . . . 7074 3 29 DNCO . 1 1 18 18 GLU N N 15 . . 1 1 17 17 ILE C C 13 . -0.080000 . . 1.000000 . . . . . . . . . . . 7074 3 30 DNCO . 1 1 77 77 PHE N N 15 . . 1 1 76 76 VAL C C 13 . -0.060000 . . 1.000000 . . . . . . . . . . . 7074 3 31 DNCO . 1 1 92 92 SER N N 15 . . 1 1 91 91 LYS C C 13 . -0.050000 . . 1.000000 . . . . . . . . . . . 7074 3 32 DNCO . 1 1 75 75 PHE N N 15 . . 1 1 74 74 GLY C C 13 . -0.050000 . . 1.000000 . . . . . . . . . . . 7074 3 33 DNCO . 1 1 86 86 ARG N N 15 . . 1 1 85 85 SER C C 13 . -0.020000 . . 1.000000 . . . . . . . . . . . 7074 3 34 DNCO . 1 1 80 80 GLU N N 15 . . 1 1 79 79 ALA C C 13 . -0.020000 . . 1.000000 . . . . . . . . . . . 7074 3 35 DNCO . 1 1 50 50 LYS N N 15 . . 1 1 49 49 LEU C C 13 . -0.010000 . . 1.000000 . . . . . . . . . . . 7074 3 36 DNCO . 1 1 95 95 ILE N N 15 . . 1 1 94 94 TRP C C 13 . 0.020000 . . 1.000000 . . . . . . . . . . . 7074 3 37 DNCO . 1 1 57 57 LYS N N 15 . . 1 1 56 56 ALA C C 13 . 0.080000 . . 1.000000 . . . . . . . . . . . 7074 3 38 DNCO . 1 1 55 55 ILE N N 15 . . 1 1 54 54 LYS C C 13 . 0.130000 . . 1.000000 . . . . . . . . . . . 7074 3 39 DNCO . 1 1 90 90 CYS N N 15 . . 1 1 89 89 LYS C C 13 . 0.310000 . . 1.000000 . . . . . . . . . . . 7074 3 40 DNCO . 1 1 68 68 ALA N N 15 . . 1 1 67 67 PRO C C 13 . 0.340000 . . 1.000000 . . . . . . . . . . . 7074 3 41 DNCO . 1 1 48 48 ASP N N 15 . . 1 1 47 47 GLU C C 13 . 0.470000 . . 1.000000 . . . . . . . . . . . 7074 3 42 DNCO . 1 1 43 43 LYS N N 15 . . 1 1 42 42 LYS C C 13 . 0.480000 . . 1.000000 . . . . . . . . . . . 7074 3 43 DNCO . 1 1 56 56 ALA N N 15 . . 1 1 55 55 ILE C C 13 . 0.540000 . . 1.000000 . . . . . . . . . . . 7074 3 44 DNCO . 1 1 93 93 GLU N N 15 . . 1 1 92 92 SER C C 13 . 0.580000 . . 1.000000 . . . . . . . . . . . 7074 3 45 DNCO . 1 1 22 22 GLU N N 15 . . 1 1 21 21 LEU C C 13 . 0.610000 . . 1.000000 . . . . . . . . . . . 7074 3 46 DNCO . 1 1 71 71 ARG N N 15 . . 1 1 70 70 CYS C C 13 . 0.630000 . . 1.000000 . . . . . . . . . . . 7074 3 47 DNCO . 1 1 91 91 LYS N N 15 . . 1 1 90 90 CYS C C 13 . 0.710000 . . 1.000000 . . . . . . . . . . . 7074 3 48 DNCO . 1 1 20 20 LEU N N 15 . . 1 1 19 19 LEU C C 13 . 0.720000 . . 1.000000 . . . . . . . . . . . 7074 3 49 DNCO . 1 1 82 82 ASN N N 15 . . 1 1 81 81 ILE C C 13 . 0.780000 . . 1.000000 . . . . . . . . . . . 7074 3 50 DNCO . 1 1 25 25 TYR N N 15 . . 1 1 24 24 ASP C C 13 . 0.810000 . . 1.000000 . . . . . . . . . . . 7074 3 51 DNCO . 1 1 47 47 GLU N N 15 . . 1 1 46 46 LEU C C 13 . 0.900000 . . 1.000000 . . . . . . . . . . . 7074 3 52 DNCO . 1 1 69 69 GLN N N 15 . . 1 1 68 68 ALA C C 13 . 0.940000 . . 1.000000 . . . . . . . . . . . 7074 3 53 DNCO . 1 1 34 34 LEU N N 15 . . 1 1 33 33 ILE C C 13 . 1.130000 . . 1.000000 . . . . . . . . . . . 7074 3 54 DNCO . 1 1 94 94 TRP N N 15 . . 1 1 93 93 GLU C C 13 . 1.200000 . . 1.000000 . . . . . . . . . . . 7074 3 55 DNCO . 1 1 105 105 LYS N N 15 . . 1 1 104 104 ARG C C 13 . 1.230000 . . 1.000000 . . . . . . . . . . . 7074 3 56 DNCO . 1 1 87 87 CYS N N 15 . . 1 1 86 86 ARG C C 13 . 1.250000 . . 1.000000 . . . . . . . . . . . 7074 3 57 DNCO . 1 1 54 54 LYS N N 15 . . 1 1 53 53 SER C C 13 . 1.330000 . . 1.000000 . . . . . . . . . . . 7074 3 58 DNCO . 1 1 66 66 LYS N N 15 . . 1 1 65 65 ILE C C 13 . 1.420000 . . 1.000000 . . . . . . . . . . . 7074 3 59 DNCO . 1 1 35 35 ASP N N 15 . . 1 1 34 34 LEU C C 13 . 1.420000 . . 1.000000 . . . . . . . . . . . 7074 3 60 DNCO . 1 1 89 89 LYS N N 15 . . 1 1 88 88 PRO C C 13 . 1.460000 . . 1.000000 . . . . . . . . . . . 7074 3 61 DNCO . 1 1 59 59 GLU N N 15 . . 1 1 58 58 ARG C C 13 . 1.570000 . . 1.000000 . . . . . . . . . . . 7074 3 62 DNCO . 1 1 13 13 ARG N N 15 . . 1 1 12 12 ARG C C 13 . 1.650000 . . 1.000000 . . . . . . . . . . . 7074 3 63 DNCO . 1 1 73 73 CYS N N 15 . . 1 1 72 72 LYS C C 13 . 1.760000 . . 1.000000 . . . . . . . . . . . 7074 3 64 DNCO . 1 1 78 78 LYS N N 15 . . 1 1 77 77 PHE C C 13 . 1.810000 . . 1.000000 . . . . . . . . . . . 7074 3 65 DNCO . 1 1 30 30 LEU N N 15 . . 1 1 29 29 GLU C C 13 . 1.830000 . . 1.000000 . . . . . . . . . . . 7074 3 66 DNCO . 1 1 32 32 ARG N N 15 . . 1 1 31 31 ALA C C 13 . 1.910000 . . 1.000000 . . . . . . . . . . . 7074 3 67 DNCO . 1 1 64 64 LEU N N 15 . . 1 1 63 63 LEU C C 13 . 2.010000 . . 1.000000 . . . . . . . . . . . 7074 3 68 DNCO . 1 1 81 81 ILE N N 15 . . 1 1 80 80 GLU C C 13 . 2.260000 . . 1.000000 . . . . . . . . . . . 7074 3 69 DNCO . 1 1 45 45 ILE N N 15 . . 1 1 44 44 VAL C C 13 . 2.380000 . . 1.000000 . . . . . . . . . . . 7074 3 stop_ save_