################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 17191 _RDC_list.ID 1 _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 'MvR76 alignment in 4% C12E5 PEG' _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 21 'NH J-modulation' . . . 17191 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 12 $PALES . . 17191 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 3 3 LYS H H 1 . . 1 1 3 3 LYS N N 15 . -18.921 . . . 4.000 . . 1 3 LYS N 1 3 LYS HN 17191 1 2 DHN . 1 1 4 4 ARG H H 1 . . 1 1 4 4 ARG N N 15 . -15.999 . . . 4.000 . . 1 4 ARG N 1 4 ARG HN 17191 1 3 DHN . 1 1 5 5 GLY H H 1 . . 1 1 5 5 GLY N N 15 . -2.88 . . . 4.000 . . 1 5 GLY N 1 5 GLY HN 17191 1 4 DHN . 1 1 8 8 ALA H H 1 . . 1 1 8 8 ALA N N 15 . 1.985 . . . 4.000 . . 1 8 ALA N 1 8 ALA HN 17191 1 5 DHN . 1 1 9 9 VAL H H 1 . . 1 1 9 9 VAL N N 15 . -14.099 . . . 4.000 . . 1 9 VAL N 1 9 VAL HN 17191 1 6 DHN . 1 1 11 11 ASP H H 1 . . 1 1 11 11 ASP N N 15 . -17.523 . . . 4.000 . . 1 11 ASP N 1 11 ASP HN 17191 1 7 DHN . 1 1 12 12 GLU H H 1 . . 1 1 12 12 GLU N N 15 . -18.145 . . . 4.000 . . 1 12 GLU N 1 12 GLU HN 17191 1 8 DHN . 1 1 13 13 ASN H H 1 . . 1 1 13 13 ASN N N 15 . -13.564 . . . 4.000 . . 1 13 ASN N 1 13 ASN HN 17191 1 9 DHN . 1 1 15 15 GLU H H 1 . . 1 1 15 15 GLU N N 15 . -7.103 . . . 4.000 . . 1 15 GLU N 1 15 GLU HN 17191 1 10 DHN . 1 1 16 16 ILE H H 1 . . 1 1 16 16 ILE N N 15 . -18.19 . . . 4.000 . . 1 16 ILE N 1 16 ILE HN 17191 1 11 DHN . 1 1 17 17 LEU H H 1 . . 1 1 17 17 LEU N N 15 . -21.291 . . . 4.000 . . 1 17 LEU N 1 17 LEU HN 17191 1 12 DHN . 1 1 18 18 ILE H H 1 . . 1 1 18 18 ILE N N 15 . -18.191 . . . 4.000 . . 1 18 ILE N 1 18 ILE HN 17191 1 13 DHN . 1 1 19 19 LEU H H 1 . . 1 1 19 19 LEU N N 15 . -17.735 . . . 4.000 . . 1 19 LEU N 1 19 LEU HN 17191 1 14 DHN . 1 1 20 20 GLY H H 1 . . 1 1 20 20 GLY N N 15 . -15.463 . . . 4.000 . . 1 20 GLY N 1 20 GLY HN 17191 1 15 DHN . 1 1 21 21 SER H H 1 . . 1 1 21 21 SER N N 15 . -4.772 . . . 4.000 . . 1 21 SER N 1 21 SER HN 17191 1 16 DHN . 1 1 22 22 LEU H H 1 . . 1 1 22 22 LEU N N 15 . -1.122 . . . 4.000 . . 1 22 LEU N 1 22 LEU HN 17191 1 17 DHN . 1 1 26 26 GLU H H 1 . . 1 1 26 26 GLU N N 15 . -15.758 . . . 4.000 . . 1 26 GLU N 1 26 GLU HN 17191 1 18 DHN . 1 1 27 27 SER H H 1 . . 1 1 27 27 SER N N 15 . -12.972 . . . 4.000 . . 1 27 SER N 1 27 SER HN 17191 1 19 DHN . 1 1 28 28 ILE H H 1 . . 1 1 28 28 ILE N N 15 . -7.271 . . . 4.000 . . 1 28 ILE N 1 28 ILE HN 17191 1 20 DHN . 1 1 29 29 ARG H H 1 . . 1 1 29 29 ARG N N 15 . -6.611 . . . 4.000 . . 1 29 ARG N 1 29 ARG HN 17191 1 21 DHN . 1 1 30 30 LYS H H 1 . . 1 1 30 30 LYS N N 15 . -15.413 . . . 4.000 . . 1 30 LYS N 1 30 LYS HN 17191 1 22 DHN . 1 1 31 31 GLN H H 1 . . 1 1 31 31 GLN N N 15 . 6.969 . . . 4.000 . . 1 31 GLN N 1 31 GLN HN 17191 1 23 DHN . 1 1 33 33 TYR H H 1 . . 1 1 33 33 TYR N N 15 . 3.277 . . . 4.000 . . 1 33 TYR N 1 33 TYR HN 17191 1 24 DHN . 1 1 34 34 TYR H H 1 . . 1 1 34 34 TYR N N 15 . 4.852 . . . 4.000 . . 1 34 TYR N 1 34 TYR HN 17191 1 25 DHN . 1 1 38 38 GLY H H 1 . . 1 1 38 38 GLY N N 15 . 12.803 . . . 4.000 . . 1 38 GLY N 1 38 GLY HN 17191 1 26 DHN . 1 1 39 39 ASN H H 1 . . 1 1 39 39 ASN N N 15 . -16.448 . . . 4.000 . . 1 39 ASN N 1 39 ASN HN 17191 1 27 DHN . 1 1 40 40 ASP H H 1 . . 1 1 40 40 ASP N N 15 . -4.168 . . . 4.000 . . 1 40 ASP N 1 40 ASP HN 17191 1 28 DHN . 1 1 41 41 PHE H H 1 . . 1 1 41 41 PHE N N 15 . 23.658 . . . 4.000 . . 1 41 PHE N 1 41 PHE HN 17191 1 29 DHN . 1 1 42 42 TRP HE1 H 1 . . 1 1 42 42 TRP NE1 N 15 . 19.306 . . . 4.000 . . 1 42 TRP HE1 1 42 TRP NE1 17191 1 30 DHN . 1 1 43 43 ARG H H 1 . . 1 1 43 43 ARG N N 15 . 20.154 . . . 4.000 . . 1 43 ARG N 1 43 ARG HN 17191 1 31 DHN . 1 1 45 45 VAL H H 1 . . 1 1 45 45 VAL N N 15 . 11.769 . . . 4.000 . . 1 45 VAL N 1 45 VAL HN 17191 1 32 DHN . 1 1 46 46 GLY H H 1 . . 1 1 46 46 GLY N N 15 . 14.177 . . . 4.000 . . 1 46 GLY N 1 46 GLY HN 17191 1 33 DHN . 1 1 47 47 HIS H H 1 . . 1 1 47 47 HIS N N 15 . 19.513 . . . 4.000 . . 1 47 HIS N 1 47 HIS HN 17191 1 34 DHN . 1 1 48 48 ALA H H 1 . . 1 1 48 48 ALA N N 15 . 20.167 . . . 4.000 . . 1 48 ALA N 1 48 ALA HN 17191 1 35 DHN . 1 1 49 49 ILE H H 1 . . 1 1 49 49 ILE N N 15 . 10.197 . . . 4.000 . . 1 49 ILE N 1 49 ILE HN 17191 1 36 DHN . 1 1 50 50 GLY H H 1 . . 1 1 50 50 GLY N N 15 . 6.832 . . . 4.000 . . 1 50 GLY N 1 50 GLY HN 17191 1 37 DHN . 1 1 51 51 GLU H H 1 . . 1 1 51 51 GLU N N 15 . 3.856 . . . 4.000 . . 1 51 GLU N 1 51 GLU HN 17191 1 38 DHN . 1 1 53 53 LEU H H 1 . . 1 1 53 53 LEU N N 15 . -19.53 . . . 4.000 . . 1 53 LEU N 1 53 LEU HN 17191 1 39 DHN . 1 1 55 55 ASP H H 1 . . 1 1 55 55 ASP N N 15 . 6.754 . . . 4.000 . . 1 55 ASP N 1 55 ASP HN 17191 1 40 DHN . 1 1 56 56 MET H H 1 . . 1 1 56 56 MET N N 15 . -17.172 . . . 4.000 . . 1 56 MET N 1 56 MET HN 17191 1 41 DHN . 1 1 58 58 TYR H H 1 . . 1 1 58 58 TYR N N 15 . 0.671 . . . 4.000 . . 1 58 TYR N 1 58 TYR HN 17191 1 42 DHN . 1 1 59 59 GLU H H 1 . . 1 1 59 59 GLU N N 15 . -15.25 . . . 4.000 . . 1 59 GLU N 1 59 GLU HN 17191 1 43 DHN . 1 1 61 61 LYS H H 1 . . 1 1 61 61 LYS N N 15 . -1.125 . . . 4.000 . . 1 61 LYS N 1 61 LYS HN 17191 1 44 DHN . 1 1 62 62 LEU H H 1 . . 1 1 62 62 LEU N N 15 . -9.606 . . . 4.000 . . 1 62 LEU N 1 62 LEU HN 17191 1 45 DHN . 1 1 63 63 LYS H H 1 . . 1 1 63 63 LYS N N 15 . -12.776 . . . 4.000 . . 1 63 LYS N 1 63 LYS HN 17191 1 46 DHN . 1 1 64 64 THR H H 1 . . 1 1 64 64 THR N N 15 . 0.502 . . . 4.000 . . 1 64 THR N 1 64 THR HN 17191 1 47 DHN . 1 1 65 65 LEU H H 1 . . 1 1 65 65 LEU N N 15 . -2.046 . . . 4.000 . . 1 65 LEU N 1 65 LEU HN 17191 1 48 DHN . 1 1 67 67 HIS H H 1 . . 1 1 67 67 HIS N N 15 . -9.197 . . . 4.000 . . 1 67 HIS N 1 67 HIS HN 17191 1 49 DHN . 1 1 68 68 ASN H H 1 . . 1 1 68 68 ASN N N 15 . 5.948 . . . 4.000 . . 1 68 ASN N 1 68 ASN HN 17191 1 50 DHN . 1 1 69 69 ARG H H 1 . . 1 1 69 69 ARG N N 15 . -21.738 . . . 4.000 . . 1 69 ARG N 1 69 ARG HN 17191 1 51 DHN . 1 1 70 70 ILE H H 1 . . 1 1 70 70 ILE N N 15 . -12.581 . . . 4.000 . . 1 70 ILE N 1 70 ILE HN 17191 1 52 DHN . 1 1 71 71 GLY H H 1 . . 1 1 71 71 GLY N N 15 . -21.462 . . . 4.000 . . 1 71 GLY N 1 71 GLY HN 17191 1 53 DHN . 1 1 72 72 LEU H H 1 . . 1 1 72 72 LEU N N 15 . -13.021 . . . 4.000 . . 1 72 LEU N 1 72 LEU HN 17191 1 54 DHN . 1 1 73 73 TRP H H 1 . . 1 1 73 73 TRP N N 15 . -10.326 . . . 4.000 . . 1 73 TRP N 1 73 TRP HN 17191 1 55 DHN . 1 1 74 74 ASP H H 1 . . 1 1 74 74 ASP N N 15 . -1.69 . . . 4.000 . . 1 74 ASP N 1 74 ASP HN 17191 1 56 DHN . 1 1 76 76 PHE H H 1 . . 1 1 76 76 PHE N N 15 . 2.548 . . . 4.000 . . 1 76 PHE N 1 76 PHE HN 17191 1 57 DHN . 1 1 78 78 ALA H H 1 . . 1 1 78 78 ALA N N 15 . -19.279 . . . 4.000 . . 1 78 ALA N 1 78 ALA HN 17191 1 58 DHN . 1 1 79 79 GLY H H 1 . . 1 1 79 79 GLY N N 15 . -17.865 . . . 4.000 . . 1 79 GLY N 1 79 GLY HN 17191 1 59 DHN . 1 1 80 80 SER H H 1 . . 1 1 80 80 SER N N 15 . -16.897 . . . 4.000 . . 1 80 SER N 1 80 SER HN 17191 1 60 DHN . 1 1 81 81 ARG H H 1 . . 1 1 81 81 ARG N N 15 . -14.99 . . . 4.000 . . 1 81 ARG N 1 81 ARG HN 17191 1 61 DHN . 1 1 82 82 GLU H H 1 . . 1 1 82 82 GLU N N 15 . -13.098 . . . 4.000 . . 1 82 GLU N 1 82 GLU HN 17191 1 62 DHN . 1 1 91 91 ASP H H 1 . . 1 1 91 91 ASP N N 15 . -3.261 . . . 4.000 . . 1 91 ASP N 1 91 ASP HN 17191 1 63 DHN . 1 1 93 93 GLU H H 1 . . 1 1 93 93 GLU N N 15 . -4.276 . . . 4.000 . . 1 93 GLU N 1 93 GLU HN 17191 1 64 DHN . 1 1 94 94 ILE H H 1 . . 1 1 94 94 ILE N N 15 . 2.862 . . . 4.000 . . 1 94 ILE N 1 94 ILE HN 17191 1 65 DHN . 1 1 95 95 ASN H H 1 . . 1 1 95 95 ASN N N 15 . 0.78 . . . 4.000 . . 1 95 ASN N 1 95 ASN HN 17191 1 66 DHN . 1 1 96 96 ASP H H 1 . . 1 1 96 96 ASP N N 15 . -21.701 . . . 4.000 . . 1 96 ASP N 1 96 ASP HN 17191 1 67 DHN . 1 1 98 98 SER H H 1 . . 1 1 98 98 SER N N 15 . 16.55 . . . 4.000 . . 1 98 SER N 1 98 SER HN 17191 1 68 DHN . 1 1 99 99 GLY H H 1 . . 1 1 99 99 GLY N N 15 . 4.061 . . . 4.000 . . 1 99 GLY N 1 99 GLY HN 17191 1 69 DHN . 1 1 100 100 LEU H H 1 . . 1 1 100 100 LEU N N 15 . 6.902 . . . 4.000 . . 1 100 LEU N 1 100 LEU HN 17191 1 70 DHN . 1 1 101 101 LYS H H 1 . . 1 1 101 101 LYS N N 15 . 13.1 . . . 4.000 . . 1 101 LYS N 1 101 LYS HN 17191 1 71 DHN . 1 1 102 102 GLU H H 1 . . 1 1 102 102 GLU N N 15 . 19.083 . . . 4.000 . . 1 102 GLU N 1 102 GLU HN 17191 1 72 DHN . 1 1 103 103 MET H H 1 . . 1 1 103 103 MET N N 15 . 4.872 . . . 4.000 . . 1 103 MET N 1 103 MET HN 17191 1 73 DHN . 1 1 104 104 VAL H H 1 . . 1 1 104 104 VAL N N 15 . -0.289 . . . 4.000 . . 1 104 VAL N 1 104 VAL HN 17191 1 74 DHN . 1 1 106 106 LYS H H 1 . . 1 1 106 106 LYS N N 15 . -16.48 . . . 4.000 . . 1 106 LYS N 1 106 LYS HN 17191 1 75 DHN . 1 1 107 107 LEU H H 1 . . 1 1 107 107 LEU N N 15 . 1.488 . . . 4.000 . . 1 107 LEU N 1 107 LEU HN 17191 1 76 DHN . 1 1 108 108 ARG H H 1 . . 1 1 108 108 ARG N N 15 . -10.298 . . . 4.000 . . 1 108 ARG N 1 108 ARG HN 17191 1 77 DHN . 1 1 109 109 LEU H H 1 . . 1 1 109 109 LEU N N 15 . -17.519 . . . 4.000 . . 1 109 LEU N 1 109 LEU HN 17191 1 78 DHN . 1 1 110 110 ILE H H 1 . . 1 1 110 110 ILE N N 15 . -20.357 . . . 4.000 . . 1 110 ILE N 1 110 ILE HN 17191 1 79 DHN . 1 1 112 112 PHE H H 1 . . 1 1 112 112 PHE N N 15 . -15.56 . . . 4.000 . . 1 112 PHE N 1 112 PHE HN 17191 1 80 DHN . 1 1 113 113 ASN H H 1 . . 1 1 113 113 ASN N N 15 . -4.939 . . . 4.000 . . 1 113 ASN N 1 113 ASN HN 17191 1 81 DHN . 1 1 115 115 ARG H H 1 . . 1 1 115 115 ARG N N 15 . -1.561 . . . 4.000 . . 1 115 ARG N 1 115 ARG HN 17191 1 82 DHN . 1 1 116 116 LYS H H 1 . . 1 1 116 116 LYS N N 15 . -4.753 . . . 4.000 . . 1 116 LYS N 1 116 LYS HN 17191 1 83 DHN . 1 1 119 119 GLU H H 1 . . 1 1 119 119 GLU N N 15 . -12.704 . . . 4.000 . . 1 119 GLU N 1 119 GLU HN 17191 1 84 DHN . 1 1 121 121 GLU H H 1 . . 1 1 121 121 GLU N N 15 . -0.643 . . . 4.000 . . 1 121 GLU N 1 121 GLU HN 17191 1 85 DHN . 1 1 123 123 LEU H H 1 . . 1 1 123 123 LEU N N 15 . -2.863 . . . 4.000 . . 1 123 LEU N 1 123 LEU HN 17191 1 86 DHN . 1 1 126 126 GLY H H 1 . . 1 1 126 126 GLY N N 15 . 8.434 . . . 4.000 . . 1 126 GLY N 1 126 GLY HN 17191 1 87 DHN . 1 1 127 127 MET H H 1 . . 1 1 127 127 MET N N 15 . -3.229 . . . 4.000 . . 1 127 MET N 1 127 MET HN 17191 1 88 DHN . 1 1 128 128 GLY H H 1 . . 1 1 128 128 GLY N N 15 . -0.226 . . . 4.000 . . 1 128 GLY N 1 128 GLY HN 17191 1 89 DHN . 1 1 129 129 TYR H H 1 . . 1 1 129 129 TYR N N 15 . 20.759 . . . 4.000 . . 1 129 TYR N 1 129 TYR HN 17191 1 90 DHN . 1 1 131 131 THR H H 1 . . 1 1 131 131 THR N N 15 . -20.98 . . . 4.000 . . 1 131 THR N 1 131 THR HN 17191 1 91 DHN . 1 1 132 132 LYS H H 1 . . 1 1 132 132 LYS N N 15 . -14.87 . . . 4.000 . . 1 132 LYS N 1 132 LYS HN 17191 1 92 DHN . 1 1 133 133 VAL H H 1 . . 1 1 133 133 VAL N N 15 . -18.967 . . . 4.000 . . 1 133 VAL N 1 133 VAL HN 17191 1 93 DHN . 1 1 134 134 LEU H H 1 . . 1 1 134 134 LEU N N 15 . -4.045 . . . 4.000 . . 1 134 LEU N 1 134 LEU HN 17191 1 94 DHN . 1 1 137 137 SER H H 1 . . 1 1 137 137 SER N N 15 . -1.171 . . . 4.000 . . 1 137 SER N 1 137 SER HN 17191 1 95 DHN . 1 1 138 138 SER H H 1 . . 1 1 138 138 SER N N 15 . -8.084 . . . 4.000 . . 1 138 SER N 1 138 SER HN 17191 1 96 DHN . 1 1 141 141 ASN H H 1 . . 1 1 141 141 ASN N N 15 . -7.425 . . . 4.000 . . 1 141 ASN N 1 141 ASN HN 17191 1 97 DHN . 1 1 142 142 ARG H H 1 . . 1 1 142 142 ARG N N 15 . -1.317 . . . 4.000 . . 1 142 ARG N 1 142 ARG HN 17191 1 98 DHN . 1 1 143 143 ARG H H 1 . . 1 1 143 143 ARG N N 15 . 12.123 . . . 4.000 . . 1 143 ARG N 1 143 ARG HN 17191 1 99 DHN . 1 1 144 144 PHE H H 1 . . 1 1 144 144 PHE N N 15 . -2.508 . . . 4.000 . . 1 144 PHE N 1 144 PHE HN 17191 1 100 DHN . 1 1 145 145 SER H H 1 . . 1 1 145 145 SER N N 15 . -4.148 . . . 4.000 . . 1 145 SER N 1 145 SER HN 17191 1 101 DHN . 1 1 147 147 ASN H H 1 . . 1 1 147 147 ASN N N 15 . 5.184 . . . 4.000 . . 1 147 ASN N 1 147 ASN HN 17191 1 102 DHN . 1 1 148 148 ARG H H 1 . . 1 1 148 148 ARG N N 15 . -0.358 . . . 4.000 . . 1 148 ARG N 1 148 ARG HN 17191 1 103 DHN . 1 1 149 149 GLU H H 1 . . 1 1 149 149 GLU N N 15 . -1.398 . . . 4.000 . . 1 149 GLU N 1 149 GLU HN 17191 1 104 DHN . 1 1 150 150 SER H H 1 . . 1 1 150 150 SER N N 15 . -0.242 . . . 4.000 . . 1 150 SER N 1 150 SER HN 17191 1 105 DHN . 1 1 152 152 TRP H H 1 . . 1 1 152 152 TRP N N 15 . -2.303 . . . 4.000 . . 1 152 TRP N 1 152 TRP HN 17191 1 106 DHN . 1 1 153 153 GLU H H 1 . . 1 1 153 153 GLU N N 15 . -2.901 . . . 4.000 . . 1 153 GLU N 1 153 GLU HN 17191 1 107 DHN . 1 1 154 154 ALA H H 1 . . 1 1 154 154 ALA N N 15 . 9.411 . . . 4.000 . . 1 154 ALA N 1 154 ALA HN 17191 1 108 DHN . 1 1 156 156 PHE H H 1 . . 1 1 156 156 PHE N N 15 . -0.167 . . . 4.000 . . 1 156 PHE N 1 156 PHE HN 17191 1 109 DHN . 1 1 159 159 LEU H H 1 . . 1 1 159 159 LEU N N 15 . 2.279 . . . 4.000 . . 1 159 LEU N 1 159 LEU HN 17191 1 110 DHN . 1 1 160 160 GLU H H 1 . . 1 1 160 160 GLU N N 15 . -3.59 . . . 4.000 . . 1 160 GLU N 1 160 GLU HN 17191 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 17191 _RDC_list.ID 2 _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 'MvR76 alignment in 7% PAG' _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 'NH J-modulation' . . . 17191 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 12 $PALES . . 17191 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 DHN . 1 1 3 3 LYS H H 1 . . 1 1 3 3 LYS N N 15 . -0.642 . . . 2.000 . . 1 3 LYS N 1 3 LYS HN 17191 2 2 DHN . 1 1 4 4 ARG H H 1 . . 1 1 4 4 ARG N N 15 . 2.164 . . . 2.000 . . 1 4 ARG N 1 4 ARG HN 17191 2 3 DHN . 1 1 5 5 GLY H H 1 . . 1 1 5 5 GLY N N 15 . 8.924 . . . 2.000 . . 1 5 GLY N 1 5 GLY HN 17191 2 4 DHN . 1 1 8 8 ALA H H 1 . . 1 1 8 8 ALA N N 15 . 8.824 . . . 2.000 . . 1 8 ALA N 1 8 ALA HN 17191 2 5 DHN . 1 1 9 9 VAL H H 1 . . 1 1 9 9 VAL N N 15 . -4.379 . . . 2.000 . . 1 9 VAL N 1 9 VAL HN 17191 2 6 DHN . 1 1 11 11 ASP H H 1 . . 1 1 11 11 ASP N N 15 . -3.089 . . . 2.000 . . 1 11 ASP N 1 11 ASP HN 17191 2 7 DHN . 1 1 12 12 GLU H H 1 . . 1 1 12 12 GLU N N 15 . -2.866 . . . 2.000 . . 1 12 GLU N 1 12 GLU HN 17191 2 8 DHN . 1 1 13 13 ASN H H 1 . . 1 1 13 13 ASN N N 15 . 0.176 . . . 2.000 . . 1 13 ASN N 1 13 ASN HN 17191 2 9 DHN . 1 1 16 16 ILE H H 1 . . 1 1 16 16 ILE N N 15 . 2.962 . . . 2.000 . . 1 16 ILE N 1 16 ILE HN 17191 2 10 DHN . 1 1 17 17 LEU H H 1 . . 1 1 17 17 LEU N N 15 . 1.231 . . . 2.000 . . 1 17 LEU N 1 17 LEU HN 17191 2 11 DHN . 1 1 18 18 ILE H H 1 . . 1 1 18 18 ILE N N 15 . -2.208 . . . 2.000 . . 1 18 ILE N 1 18 ILE HN 17191 2 12 DHN . 1 1 19 19 LEU H H 1 . . 1 1 19 19 LEU N N 15 . -4.122 . . . 2.000 . . 1 19 LEU N 1 19 LEU HN 17191 2 13 DHN . 1 1 20 20 GLY H H 1 . . 1 1 20 20 GLY N N 15 . -3.59 . . . 2.000 . . 1 20 GLY N 1 20 GLY HN 17191 2 14 DHN . 1 1 21 21 SER H H 1 . . 1 1 21 21 SER N N 15 . 7.769 . . . 2.000 . . 1 21 SER N 1 21 SER HN 17191 2 15 DHN . 1 1 22 22 LEU H H 1 . . 1 1 22 22 LEU N N 15 . 3.318 . . . 2.000 . . 1 22 LEU N 1 22 LEU HN 17191 2 16 DHN . 1 1 26 26 GLU H H 1 . . 1 1 26 26 GLU N N 15 . -6.273 . . . 2.000 . . 1 26 GLU N 1 26 GLU HN 17191 2 17 DHN . 1 1 27 27 SER H H 1 . . 1 1 27 27 SER N N 15 . -1.353 . . . 2.000 . . 1 27 SER N 1 27 SER HN 17191 2 18 DHN . 1 1 28 28 ILE H H 1 . . 1 1 28 28 ILE N N 15 . -7.245 . . . 2.000 . . 1 28 ILE N 1 28 ILE HN 17191 2 19 DHN . 1 1 29 29 ARG H H 1 . . 1 1 29 29 ARG N N 15 . -1.493 . . . 2.000 . . 1 29 ARG N 1 29 ARG HN 17191 2 20 DHN . 1 1 30 30 LYS H H 1 . . 1 1 30 30 LYS N N 15 . -3.707 . . . 2.000 . . 1 30 LYS N 1 30 LYS HN 17191 2 21 DHN . 1 1 31 31 GLN H H 1 . . 1 1 31 31 GLN N N 15 . -6.083 . . . 2.000 . . 1 31 GLN N 1 31 GLN HN 17191 2 22 DHN . 1 1 34 34 TYR H H 1 . . 1 1 34 34 TYR N N 15 . 5.126 . . . 2.000 . . 1 34 TYR N 1 34 TYR HN 17191 2 23 DHN . 1 1 35 35 GLY H H 1 . . 1 1 35 35 GLY N N 15 . 10.416 . . . 2.000 . . 1 35 GLY N 1 35 GLY HN 17191 2 24 DHN . 1 1 38 38 GLY H H 1 . . 1 1 38 38 GLY N N 15 . -1.526 . . . 2.000 . . 1 38 GLY N 1 38 GLY HN 17191 2 25 DHN . 1 1 39 39 ASN H H 1 . . 1 1 39 39 ASN N N 15 . -1.192 . . . 2.000 . . 1 39 ASN N 1 39 ASN HN 17191 2 26 DHN . 1 1 40 40 ASP H H 1 . . 1 1 40 40 ASP N N 15 . -1.112 . . . 2.000 . . 1 40 ASP N 1 40 ASP HN 17191 2 27 DHN . 1 1 41 41 PHE H H 1 . . 1 1 41 41 PHE N N 15 . -3.387 . . . 2.000 . . 1 41 PHE N 1 41 PHE HN 17191 2 28 DHN . 1 1 42 42 TRP HE1 H 1 . . 1 1 42 42 TRP NE1 N 15 . -3.628 . . . 2.000 . . 1 42 TRP HE1 1 42 TRP NE1 17191 2 29 DHN . 1 1 43 43 ARG H H 1 . . 1 1 43 43 ARG N N 15 . -6.883 . . . 2.000 . . 1 43 ARG N 1 43 ARG HN 17191 2 30 DHN . 1 1 45 45 VAL H H 1 . . 1 1 45 45 VAL N N 15 . -6.005 . . . 2.000 . . 1 45 VAL N 1 45 VAL HN 17191 2 31 DHN . 1 1 46 46 GLY H H 1 . . 1 1 46 46 GLY N N 15 . -6.524 . . . 2.000 . . 1 46 GLY N 1 46 GLY HN 17191 2 32 DHN . 1 1 47 47 HIS H H 1 . . 1 1 47 47 HIS N N 15 . -5.037 . . . 2.000 . . 1 47 HIS N 1 47 HIS HN 17191 2 33 DHN . 1 1 48 48 ALA H H 1 . . 1 1 48 48 ALA N N 15 . -3.695 . . . 2.000 . . 1 48 ALA N 1 48 ALA HN 17191 2 34 DHN . 1 1 49 49 ILE H H 1 . . 1 1 49 49 ILE N N 15 . -5.207 . . . 2.000 . . 1 49 ILE N 1 49 ILE HN 17191 2 35 DHN . 1 1 50 50 GLY H H 1 . . 1 1 50 50 GLY N N 15 . -5.808 . . . 2.000 . . 1 50 GLY N 1 50 GLY HN 17191 2 36 DHN . 1 1 51 51 GLU H H 1 . . 1 1 51 51 GLU N N 15 . -0.976 . . . 2.000 . . 1 51 GLU N 1 51 GLU HN 17191 2 37 DHN . 1 1 53 53 LEU H H 1 . . 1 1 53 53 LEU N N 15 . -3.363 . . . 2.000 . . 1 53 LEU N 1 53 LEU HN 17191 2 38 DHN . 1 1 55 55 ASP H H 1 . . 1 1 55 55 ASP N N 15 . -3.916 . . . 2.000 . . 1 55 ASP N 1 55 ASP HN 17191 2 39 DHN . 1 1 56 56 MET H H 1 . . 1 1 56 56 MET N N 15 . 0.366 . . . 2.000 . . 1 56 MET N 1 56 MET HN 17191 2 40 DHN . 1 1 59 59 GLU H H 1 . . 1 1 59 59 GLU N N 15 . 0.096 . . . 2.000 . . 1 59 GLU N 1 59 GLU HN 17191 2 41 DHN . 1 1 61 61 LYS H H 1 . . 1 1 61 61 LYS N N 15 . -3.101 . . . 2.000 . . 1 61 LYS N 1 61 LYS HN 17191 2 42 DHN . 1 1 62 62 LEU H H 1 . . 1 1 62 62 LEU N N 15 . -3.076 . . . 2.000 . . 1 62 LEU N 1 62 LEU HN 17191 2 43 DHN . 1 1 64 64 THR H H 1 . . 1 1 64 64 THR N N 15 . -3.13 . . . 2.000 . . 1 64 THR N 1 64 THR HN 17191 2 44 DHN . 1 1 65 65 LEU H H 1 . . 1 1 65 65 LEU N N 15 . -5.553 . . . 2.000 . . 1 65 LEU N 1 65 LEU HN 17191 2 45 DHN . 1 1 66 66 LYS H H 1 . . 1 1 66 66 LYS N N 15 . -0.776 . . . 2.000 . . 1 66 LYS N 1 66 LYS HN 17191 2 46 DHN . 1 1 67 67 HIS H H 1 . . 1 1 67 67 HIS N N 15 . 1.005 . . . 2.000 . . 1 67 HIS N 1 67 HIS HN 17191 2 47 DHN . 1 1 68 68 ASN H H 1 . . 1 1 68 68 ASN N N 15 . -5.651 . . . 2.000 . . 1 68 ASN N 1 68 ASN HN 17191 2 48 DHN . 1 1 69 69 ARG H H 1 . . 1 1 69 69 ARG N N 15 . -2.501 . . . 2.000 . . 1 69 ARG N 1 69 ARG HN 17191 2 49 DHN . 1 1 70 70 ILE H H 1 . . 1 1 70 70 ILE N N 15 . 5.706 . . . 2.000 . . 1 70 ILE N 1 70 ILE HN 17191 2 50 DHN . 1 1 71 71 GLY H H 1 . . 1 1 71 71 GLY N N 15 . -0.87 . . . 2.000 . . 1 71 GLY N 1 71 GLY HN 17191 2 51 DHN . 1 1 72 72 LEU H H 1 . . 1 1 72 72 LEU N N 15 . -4.445 . . . 2.000 . . 1 72 LEU N 1 72 LEU HN 17191 2 52 DHN . 1 1 73 73 TRP H H 1 . . 1 1 73 73 TRP N N 15 . -2.962 . . . 2.000 . . 1 73 TRP N 1 73 TRP HN 17191 2 53 DHN . 1 1 74 74 ASP H H 1 . . 1 1 74 74 ASP N N 15 . 3.915 . . . 2.000 . . 1 74 ASP N 1 74 ASP HN 17191 2 54 DHN . 1 1 78 78 ALA H H 1 . . 1 1 78 78 ALA N N 15 . 1.2 . . . 2.000 . . 1 78 ALA N 1 78 ALA HN 17191 2 55 DHN . 1 1 79 79 GLY H H 1 . . 1 1 79 79 GLY N N 15 . 3.682 . . . 2.000 . . 1 79 GLY N 1 79 GLY HN 17191 2 56 DHN . 1 1 80 80 SER H H 1 . . 1 1 80 80 SER N N 15 . 3.021 . . . 2.000 . . 1 80 SER N 1 80 SER HN 17191 2 57 DHN . 1 1 81 81 ARG H H 1 . . 1 1 81 81 ARG N N 15 . -3.036 . . . 2.000 . . 1 81 ARG N 1 81 ARG HN 17191 2 58 DHN . 1 1 82 82 GLU H H 1 . . 1 1 82 82 GLU N N 15 . -0.927 . . . 2.000 . . 1 82 GLU N 1 82 GLU HN 17191 2 59 DHN . 1 1 92 92 GLU H H 1 . . 1 1 92 92 GLU N N 15 . -3.662 . . . 2.000 . . 1 92 GLU N 1 92 GLU HN 17191 2 60 DHN . 1 1 93 93 GLU H H 1 . . 1 1 93 93 GLU N N 15 . 2.854 . . . 2.000 . . 1 93 GLU N 1 93 GLU HN 17191 2 61 DHN . 1 1 94 94 ILE H H 1 . . 1 1 94 94 ILE N N 15 . 7.438 . . . 2.000 . . 1 94 ILE N 1 94 ILE HN 17191 2 62 DHN . 1 1 95 95 ASN H H 1 . . 1 1 95 95 ASN N N 15 . 3.807 . . . 2.000 . . 1 95 ASN N 1 95 ASN HN 17191 2 63 DHN . 1 1 98 98 SER H H 1 . . 1 1 98 98 SER N N 15 . -4.174 . . . 2.000 . . 1 98 SER N 1 98 SER HN 17191 2 64 DHN . 1 1 99 99 GLY H H 1 . . 1 1 99 99 GLY N N 15 . -4.51 . . . 2.000 . . 1 99 GLY N 1 99 GLY HN 17191 2 65 DHN . 1 1 100 100 LEU H H 1 . . 1 1 100 100 LEU N N 15 . -4.899 . . . 2.000 . . 1 100 LEU N 1 100 LEU HN 17191 2 66 DHN . 1 1 101 101 LYS H H 1 . . 1 1 101 101 LYS N N 15 . 2.519 . . . 2.000 . . 1 101 LYS N 1 101 LYS HN 17191 2 67 DHN . 1 1 102 102 GLU H H 1 . . 1 1 102 102 GLU N N 15 . -3.913 . . . 2.000 . . 1 102 GLU N 1 102 GLU HN 17191 2 68 DHN . 1 1 103 103 MET H H 1 . . 1 1 103 103 MET N N 15 . -2.882 . . . 2.000 . . 1 103 MET N 1 103 MET HN 17191 2 69 DHN . 1 1 104 104 VAL H H 1 . . 1 1 104 104 VAL N N 15 . 5.263 . . . 2.000 . . 1 104 VAL N 1 104 VAL HN 17191 2 70 DHN . 1 1 106 106 LYS H H 1 . . 1 1 106 106 LYS N N 15 . 0.163 . . . 2.000 . . 1 106 LYS N 1 106 LYS HN 17191 2 71 DHN . 1 1 107 107 LEU H H 1 . . 1 1 107 107 LEU N N 15 . 1.216 . . . 2.000 . . 1 107 LEU N 1 107 LEU HN 17191 2 72 DHN . 1 1 109 109 LEU H H 1 . . 1 1 109 109 LEU N N 15 . 0.961 . . . 2.000 . . 1 109 LEU N 1 109 LEU HN 17191 2 73 DHN . 1 1 110 110 ILE H H 1 . . 1 1 110 110 ILE N N 15 . -0.008 . . . 2.000 . . 1 110 ILE N 1 110 ILE HN 17191 2 74 DHN . 1 1 112 112 PHE H H 1 . . 1 1 112 112 PHE N N 15 . -4.124 . . . 2.000 . . 1 112 PHE N 1 112 PHE HN 17191 2 75 DHN . 1 1 113 113 ASN H H 1 . . 1 1 113 113 ASN N N 15 . -0.218 . . . 2.000 . . 1 113 ASN N 1 113 ASN HN 17191 2 76 DHN . 1 1 115 115 ARG H H 1 . . 1 1 115 115 ARG N N 15 . 7.818 . . . 2.000 . . 1 115 ARG N 1 115 ARG HN 17191 2 77 DHN . 1 1 116 116 LYS H H 1 . . 1 1 116 116 LYS N N 15 . 5.244 . . . 2.000 . . 1 116 LYS N 1 116 LYS HN 17191 2 78 DHN . 1 1 119 119 GLU H H 1 . . 1 1 119 119 GLU N N 15 . 1.504 . . . 2.000 . . 1 119 GLU N 1 119 GLU HN 17191 2 79 DHN . 1 1 121 121 GLU H H 1 . . 1 1 121 121 GLU N N 15 . -1.714 . . . 2.000 . . 1 121 GLU N 1 121 GLU HN 17191 2 80 DHN . 1 1 123 123 LEU H H 1 . . 1 1 123 123 LEU N N 15 . 1.636 . . . 2.000 . . 1 123 LEU N 1 123 LEU HN 17191 2 81 DHN . 1 1 126 126 GLY H H 1 . . 1 1 126 126 GLY N N 15 . -4.528 . . . 2.000 . . 1 126 GLY N 1 126 GLY HN 17191 2 82 DHN . 1 1 127 127 MET H H 1 . . 1 1 127 127 MET N N 15 . 4.457 . . . 2.000 . . 1 127 MET N 1 127 MET HN 17191 2 83 DHN . 1 1 128 128 GLY H H 1 . . 1 1 128 128 GLY N N 15 . -3.424 . . . 2.000 . . 1 128 GLY N 1 128 GLY HN 17191 2 84 DHN . 1 1 129 129 TYR H H 1 . . 1 1 129 129 TYR N N 15 . -3.673 . . . 2.000 . . 1 129 TYR N 1 129 TYR HN 17191 2 85 DHN . 1 1 131 131 THR H H 1 . . 1 1 131 131 THR N N 15 . -1.136 . . . 2.000 . . 1 131 THR N 1 131 THR HN 17191 2 86 DHN . 1 1 132 132 LYS H H 1 . . 1 1 132 132 LYS N N 15 . -3.274 . . . 2.000 . . 1 132 LYS N 1 132 LYS HN 17191 2 87 DHN . 1 1 133 133 VAL H H 1 . . 1 1 133 133 VAL N N 15 . -2.766 . . . 2.000 . . 1 133 VAL N 1 133 VAL HN 17191 2 88 DHN . 1 1 134 134 LEU H H 1 . . 1 1 134 134 LEU N N 15 . -1.794 . . . 2.000 . . 1 134 LEU N 1 134 LEU HN 17191 2 89 DHN . 1 1 137 137 SER H H 1 . . 1 1 137 137 SER N N 15 . 4.266 . . . 2.000 . . 1 137 SER N 1 137 SER HN 17191 2 90 DHN . 1 1 138 138 SER H H 1 . . 1 1 138 138 SER N N 15 . 8.085 . . . 2.000 . . 1 138 SER N 1 138 SER HN 17191 2 91 DHN . 1 1 141 141 ASN H H 1 . . 1 1 141 141 ASN N N 15 . -3.985 . . . 2.000 . . 1 141 ASN N 1 141 ASN HN 17191 2 92 DHN . 1 1 143 143 ARG H H 1 . . 1 1 143 143 ARG N N 15 . -0.391 . . . 2.000 . . 1 143 ARG N 1 143 ARG HN 17191 2 93 DHN . 1 1 144 144 PHE H H 1 . . 1 1 144 144 PHE N N 15 . 0.128 . . . 2.000 . . 1 144 PHE N 1 144 PHE HN 17191 2 94 DHN . 1 1 149 149 GLU H H 1 . . 1 1 149 149 GLU N N 15 . 0.439 . . . 2.000 . . 1 149 GLU N 1 149 GLU HN 17191 2 95 DHN . 1 1 150 150 SER H H 1 . . 1 1 150 150 SER N N 15 . -4.652 . . . 2.000 . . 1 150 SER N 1 150 SER HN 17191 2 96 DHN . 1 1 152 152 TRP H H 1 . . 1 1 152 152 TRP N N 15 . 2.643 . . . 2.000 . . 1 152 TRP N 1 152 TRP HN 17191 2 97 DHN . 1 1 153 153 GLU H H 1 . . 1 1 153 153 GLU N N 15 . -3.27 . . . 2.000 . . 1 153 GLU N 1 153 GLU HN 17191 2 98 DHN . 1 1 154 154 ALA H H 1 . . 1 1 154 154 ALA N N 15 . -8.846 . . . 2.000 . . 1 154 ALA N 1 154 ALA HN 17191 2 99 DHN . 1 1 159 159 LEU H H 1 . . 1 1 159 159 LEU N N 15 . -0.826 . . . 2.000 . . 1 159 LEU N 1 159 LEU HN 17191 2 100 DHN . 1 1 160 160 GLU H H 1 . . 1 1 160 160 GLU N N 15 . 0.414 . . . 2.000 . . 1 160 GLU N 1 160 GLU HN 17191 2 stop_ save_