################################ # Residual dipolar couplings # ################################ save_RDCs_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDCs_1 _RDC_list.Entry_ID 51097 _RDC_list.ID 1 _RDC_list.Name 'Amide Residual Dipolar Coupling Free Human beta-2 microglobulin' _RDC_list.Sample_condition_list_ID 2 _RDC_list.Sample_condition_list_label $sample_conditions_2 _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 6 '2D 1H-15N TROSY' . . . 51097 1 7 '2D 1H-15N TROSY' . . . 51097 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 1 $software_1 . . 51097 1 2 $software_2 . . 51097 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 GLN N N 15 . . 1 1 3 3 GLN H H 1 . 6.829 . . 0.279 . . . . 2 GLN N . 2 GLN H 51097 1 2 DHN . 1 1 4 4 ARG N N 15 . . 1 1 4 4 ARG H H 1 . -3.152 . . 1.116 . . . . 3 ARG N . 3 ARG H 51097 1 3 DHN . 1 1 5 5 THR N N 15 . . 1 1 5 5 THR H H 1 . 15.425 . . 0.511 . . . . 4 THR N . 4 THR H 51097 1 4 DHN . 1 1 8 8 ILE N N 15 . . 1 1 8 8 ILE H H 1 . -5.995 . . 0.476 . . . . 7 ILE N . 7 ILE H 51097 1 5 DHN . 1 1 9 9 GLN N N 15 . . 1 1 9 9 GLN H H 1 . -19.136 . . 0.900 . . . . 8 GLN N . 8 GLN H 51097 1 6 DHN . 1 1 10 10 VAL N N 15 . . 1 1 10 10 VAL H H 1 . -12.924 . . 0.591 . . . . 9 VAL N . 9 VAL H 51097 1 7 DHN . 1 1 12 12 SER N N 15 . . 1 1 12 12 SER H H 1 . -14.832 . . 1.123 . . . . 11 SER N . 11 SER H 51097 1 8 DHN . 1 1 13 13 ARG N N 15 . . 1 1 13 13 ARG H H 1 . 4.369 . . 0.762 . . . . 12 ARG N . 12 ARG H 51097 1 9 DHN . 1 1 14 14 HIS N N 15 . . 1 1 14 14 HIS H H 1 . 6.873 . . 0.877 . . . . 13 HIS N . 13 HIS H 51097 1 10 DHN . 1 1 17 17 GLU N N 15 . . 1 1 17 17 GLU H H 1 . -18.338 . . 1.045 . . . . 16 GLU N . 16 GLU H 51097 1 11 DHN . 1 1 18 18 ASN N N 15 . . 1 1 18 18 ASN H H 1 . -15.099 . . 0.625 . . . . 17 ASN N . 17 ASN H 51097 1 12 DHN . 1 1 19 19 GLY N N 15 . . 1 1 19 19 GLY H H 1 . 10.660 . . 0.725 . . . . 18 GLY N . 18 GLY H 51097 1 13 DHN . 1 1 20 20 LYS N N 15 . . 1 1 20 20 LYS H H 1 . 9.867 . . 0.446 . . . . 19 LYS N . 19 LYS H 51097 1 14 DHN . 1 1 21 21 SER N N 15 . . 1 1 21 21 SER H H 1 . 18.229 . . 0.359 . . . . 20 SER N . 20 SER H 51097 1 15 DHN . 1 1 23 23 PHE N N 15 . . 1 1 23 23 PHE H H 1 . -3.110 . . 0.629 . . . . 22 PHE N . 22 PHE H 51097 1 16 DHN . 1 1 25 25 ASN N N 15 . . 1 1 25 25 ASN H H 1 . -19.731 . . 0.950 . . . . 24 ASN N . 24 ASN H 51097 1 17 DHN . 1 1 27 27 TYR N N 15 . . 1 1 27 27 TYR H H 1 . -22.763 . . 1.163 . . . . 26 TYR N . 26 TYR H 51097 1 18 DHN . 1 1 28 28 VAL N N 15 . . 1 1 28 28 VAL H H 1 . -8.288 . . 1.364 . . . . 27 VAL N . 27 VAL H 51097 1 19 DHN . 1 1 29 29 SER N N 15 . . 1 1 29 29 SER H H 1 . -16.458 . . 0.951 . . . . 28 SER N . 28 SER H 51097 1 20 DHN . 1 1 30 30 GLY N N 15 . . 1 1 30 30 GLY H H 1 . -3.391 . . 0.882 . . . . 29 GLY N . 29 GLY H 51097 1 21 DHN . 1 1 31 31 PHE N N 15 . . 1 1 31 31 PHE H H 1 . 17.525 . . 1.277 . . . . 30 PHE N . 30 PHE H 51097 1 22 DHN . 1 1 34 34 SER N N 15 . . 1 1 34 34 SER H H 1 . -26.965 . . 4.549 . . . . 33 SER N . 33 SER H 51097 1 23 DHN . 1 1 35 35 ASP N N 15 . . 1 1 35 35 ASP H H 1 . 8.617 . . 0.484 . . . . 34 ASP N . 34 ASP H 51097 1 24 DHN . 1 1 36 36 ILE N N 15 . . 1 1 36 36 ILE H H 1 . 3.827 . . 0.389 . . . . 35 ILE N . 35 ILE H 51097 1 25 DHN . 1 1 37 37 GLU N N 15 . . 1 1 37 37 GLU H H 1 . 3.361 . . 1.028 . . . . 36 GLU N . 36 GLU H 51097 1 26 DHN . 1 1 38 38 VAL N N 15 . . 1 1 38 38 VAL H H 1 . -9.715 . . 0.410 . . . . 37 VAL N . 37 VAL H 51097 1 27 DHN . 1 1 39 39 ASP N N 15 . . 1 1 39 39 ASP H H 1 . -12.812 . . 0.921 . . . . 38 ASP N . 38 ASP H 51097 1 28 DHN . 1 1 40 40 LEU N N 15 . . 1 1 40 40 LEU H H 1 . -3.969 . . 0.511 . . . . 39 LEU N . 39 LEU H 51097 1 29 DHN . 1 1 41 41 LEU N N 15 . . 1 1 41 41 LEU H H 1 . 2.254 . . 1.263 . . . . 40 LEU N . 40 LEU H 51097 1 30 DHN . 1 1 42 42 LYS N N 15 . . 1 1 42 42 LYS H H 1 . -3.216 . . 0.516 . . . . 41 LYS N . 41 LYS H 51097 1 31 DHN . 1 1 43 43 ASN N N 15 . . 1 1 43 43 ASN H H 1 . 3.996 . . 0.650 . . . . 42 ASN N . 42 ASN H 51097 1 32 DHN . 1 1 45 45 GLU N N 15 . . 1 1 45 45 GLU H H 1 . 2.906 . . 0.530 . . . . 44 GLU N . 44 GLU H 51097 1 33 DHN . 1 1 46 46 ARG N N 15 . . 1 1 46 46 ARG H H 1 . 9.782 . . 0.409 . . . . 45 ARG N . 45 ARG H 51097 1 34 DHN . 1 1 47 47 ILE N N 15 . . 1 1 47 47 ILE H H 1 . 10.451 . . 0.524 . . . . 46 ILE N . 46 ILE H 51097 1 35 DHN . 1 1 48 48 GLU N N 15 . . 1 1 48 48 GLU H H 1 . -2.500 . . 0.310 . . . . 47 GLU N . 47 GLU H 51097 1 36 DHN . 1 1 49 49 LYS N N 15 . . 1 1 49 49 LYS H H 1 . -14.480 . . 0.406 . . . . 48 LYS N . 48 LYS H 51097 1 37 DHN . 1 1 50 50 VAL N N 15 . . 1 1 50 50 VAL H H 1 . -4.607 . . 0.248 . . . . 49 VAL N . 49 VAL H 51097 1 38 DHN . 1 1 51 51 GLU N N 15 . . 1 1 51 51 GLU H H 1 . -19.569 . . 0.917 . . . . 50 GLU N . 50 GLU H 51097 1 39 DHN . 1 1 52 52 HIS N N 15 . . 1 1 52 52 HIS H H 1 . -14.725 . . 0.521 . . . . 51 HIS N . 51 HIS H 51097 1 40 DHN . 1 1 53 53 SER N N 15 . . 1 1 53 53 SER H H 1 . -11.707 . . 1.001 . . . . 52 SER N . 52 SER H 51097 1 41 DHN . 1 1 54 54 ASP N N 15 . . 1 1 54 54 ASP H H 1 . 13.009 . . 0.814 . . . . 53 ASP N . 53 ASP H 51097 1 42 DHN . 1 1 55 55 LEU N N 15 . . 1 1 55 55 LEU H H 1 . 1.149 . . 0.879 . . . . 54 LEU N . 54 LEU H 51097 1 43 DHN . 1 1 56 56 SER N N 15 . . 1 1 56 56 SER H H 1 . -18.274 . . 1.291 . . . . 55 SER N . 55 SER H 51097 1 44 DHN . 1 1 57 57 PHE N N 15 . . 1 1 57 57 PHE H H 1 . 3.870 . . 1.357 . . . . 56 PHE N . 56 PHE H 51097 1 45 DHN . 1 1 58 58 SER N N 15 . . 1 1 58 58 SER H H 1 . 9.009 . . 0.770 . . . . 57 SER N . 57 SER H 51097 1 46 DHN . 1 1 60 60 ASP N N 15 . . 1 1 60 60 ASP H H 1 . -6.067 . . 1.087 . . . . 59 ASP N . 59 ASP H 51097 1 47 DHN . 1 1 61 61 TRP N N 15 . . 1 1 61 61 TRP H H 1 . 15.724 . . 0.908 . . . . 60 TRP N . 60 TRP H 51097 1 48 DHN . 1 1 62 62 SER N N 15 . . 1 1 62 62 SER H H 1 . 1.076 . . 1.762 . . . . 61 SER N . 61 SER H 51097 1 49 DHN . 1 1 63 63 PHE N N 15 . . 1 1 63 63 PHE H H 1 . 12.771 . . 1.151 . . . . 62 PHE N . 62 PHE H 51097 1 50 DHN . 1 1 64 64 TYR N N 15 . . 1 1 64 64 TYR H H 1 . -17.411 . . 0.794 . . . . 63 TYR N . 63 TYR H 51097 1 51 DHN . 1 1 65 65 LEU N N 15 . . 1 1 65 65 LEU H H 1 . -15.721 . . 1.149 . . . . 64 LEU N . 64 LEU H 51097 1 52 DHN . 1 1 66 66 LEU N N 15 . . 1 1 66 66 LEU H H 1 . -15.306 . . 1.710 . . . . 65 LEU N . 65 LEU H 51097 1 53 DHN . 1 1 67 67 TYR N N 15 . . 1 1 67 67 TYR H H 1 . -11.795 . . 1.228 . . . . 66 TYR N . 66 TYR H 51097 1 54 DHN . 1 1 68 68 TYR N N 15 . . 1 1 68 68 TYR H H 1 . -19.881 . . 1.016 . . . . 67 TYR N . 67 TYR H 51097 1 55 DHN . 1 1 69 69 THR N N 15 . . 1 1 69 69 THR H H 1 . -12.398 . . 1.087 . . . . 68 THR N . 68 THR H 51097 1 56 DHN . 1 1 70 70 GLU N N 15 . . 1 1 70 70 GLU H H 1 . -11.166 . . 0.380 . . . . 69 GLU N . 69 GLU H 51097 1 57 DHN . 1 1 71 71 PHE N N 15 . . 1 1 71 71 PHE H H 1 . 10.191 . . 0.524 . . . . 70 PHE N . 70 PHE H 51097 1 58 DHN . 1 1 72 72 THR N N 15 . . 1 1 72 72 THR H H 1 . 8.820 . . 0.367 . . . . 71 THR N . 71 THR H 51097 1 59 DHN . 1 1 74 74 THR N N 15 . . 1 1 74 74 THR H H 1 . 15.010 . . 0.427 . . . . 73 THR N . 73 THR H 51097 1 60 DHN . 1 1 75 75 GLU N N 15 . . 1 1 75 75 GLU H H 1 . 15.661 . . 0.981 . . . . 74 GLU N . 74 GLU H 51097 1 61 DHN . 1 1 76 76 LYS N N 15 . . 1 1 76 76 LYS H H 1 . 11.854 . . 0.717 . . . . 75 LYS N . 75 LYS H 51097 1 62 DHN . 1 1 77 77 ASP N N 15 . . 1 1 77 77 ASP H H 1 . 14.170 . . 0.707 . . . . 76 ASP N . 76 ASP H 51097 1 63 DHN . 1 1 78 78 GLU N N 15 . . 1 1 78 78 GLU H H 1 . 1.588 . . 0.431 . . . . 77 GLU N . 77 GLU H 51097 1 64 DHN . 1 1 79 79 TYR N N 15 . . 1 1 79 79 TYR H H 1 . -5.809 . . 0.591 . . . . 78 TYR N . 78 TYR H 51097 1 65 DHN . 1 1 80 80 ALA N N 15 . . 1 1 80 80 ALA H H 1 . -1.872 . . 1.167 . . . . 79 ALA N . 79 ALA H 51097 1 66 DHN . 1 1 82 82 ARG N N 15 . . 1 1 82 82 ARG H H 1 . 4.840 . . 1.095 . . . . 81 ARG N . 81 ARG H 51097 1 67 DHN . 1 1 83 83 VAL N N 15 . . 1 1 83 83 VAL H H 1 . -9.877 . . 0.964 . . . . 82 VAL N . 82 VAL H 51097 1 68 DHN . 1 1 84 84 ASN N N 15 . . 1 1 84 84 ASN H H 1 . 2.671 . . 0.931 . . . . 83 ASN N . 83 ASN H 51097 1 69 DHN . 1 1 86 86 VAL N N 15 . . 1 1 86 86 VAL H H 1 . -8.621 . . 0.692 . . . . 85 VAL N . 85 VAL H 51097 1 70 DHN . 1 1 88 88 LEU N N 15 . . 1 1 88 88 LEU H H 1 . -7.051 . . 0.647 . . . . 87 LEU N . 87 LEU H 51097 1 71 DHN . 1 1 90 90 GLN N N 15 . . 1 1 90 90 GLN H H 1 . 6.588 . . 0.342 . . . . 89 GLN N . 89 GLN H 51097 1 72 DHN . 1 1 92 92 LYS N N 15 . . 1 1 92 92 LYS H H 1 . -16.541 . . 1.471 . . . . 91 LYS N . 91 LYS H 51097 1 73 DHN . 1 1 93 93 ILE N N 15 . . 1 1 93 93 ILE H H 1 . 2.858 . . 0.471 . . . . 92 ILE N . 92 ILE H 51097 1 74 DHN . 1 1 94 94 VAL N N 15 . . 1 1 94 94 VAL H H 1 . -12.552 . . 1.087 . . . . 93 VAL N . 93 VAL H 51097 1 75 DHN . 1 1 95 95 LYS N N 15 . . 1 1 95 95 LYS H H 1 . 5.283 . . 0.445 . . . . 94 LYS N . 94 LYS H 51097 1 76 DHN . 1 1 96 96 TRP N N 15 . . 1 1 96 96 TRP H H 1 . 7.045 . . 0.723 . . . . 95 TRP N . 95 TRP H 51097 1 77 DHN . 1 1 97 97 ASP N N 15 . . 1 1 97 97 ASP H H 1 . -10.764 . . 0.459 . . . . 96 ASP N . 96 ASP H 51097 1 stop_ save_