###################### # Order parameters # ###################### save_Backbone_NH_Order_Parameters _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode Backbone_NH_Order_Parameters _Order_parameter_list.Entry_ID 16931 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units s _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units s _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 8 '15N T1' . . . 16931 1 9 '15N T2' . . . 16931 1 10 '{1H}-15N NOE' . . . 16931 1 stop_ loop_ _Order_parameter_software.Software_ID _Order_parameter_software.Software_label _Order_parameter_software.Method_ID _Order_parameter_software.Method_label _Order_parameter_software.Entry_ID _Order_parameter_software.Order_parameter_list_ID 4 $relxn2.2 . . 16931 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 2 2 VAL N N 15 0.788 0.010 1.56E-09 2.38E-10 . . . . . . . 5 . . . . . . . . . . 2 VAL N 16931 1 2 . 1 1 3 3 GLN N N 15 0.856 0.005 1.55E-11 7.68E-12 . . . . . . . 2 . . . . . . . . . . 3 GLN N 16931 1 3 . 1 1 4 4 VAL N N 15 0.627 1.625 0.000000022 0.000000104 . . . . . . . 5 . . . . . . . . . . 4 VAL N 16931 1 4 . 1 1 5 5 GLU N N 15 0.840 0.005 3.28E-11 6.06E-12 . . . . . . . 2 . . . . . . . . . . 5 GLU N 16931 1 5 . 1 1 7 7 ILE N N 15 0.865 0.010 5.12E-11 1.34E-11 . . . . . . . 2 . . . . . . . . . . 7 ILE N 16931 1 6 . 1 1 8 8 SER N N 15 0.767 0.657 8.47E-09 7.04E-08 . . . . . . . 5 . . . . . . . . . . 8 SER N 16931 1 7 . 1 1 10 10 GLY N N 15 0.842 0.007 . . . . . . . . . 1 . . . . . . . . . . 10 GLY N 16931 1 8 . 1 1 12 12 GLY N N 15 0.913 0.008 . . . . . . . . . 1 . . . . . . . . . . 12 GLY N 16931 1 9 . 1 1 14 14 THR N N 15 0.823 0.008 1.24E-11 7.08E-12 . . . . . . . 2 . . . . . . . . . . 14 THR N 16931 1 10 . 1 1 15 15 PHE N N 15 0.818 0.006 . . . . . . . . . 1 . . . . . . . . . . 15 PHE N 16931 1 11 . 1 1 17 17 LYS N N 15 0.813 0.005 2.05E-11 6.24E-12 . . . . . . . 2 . . . . . . . . . . 17 LYS N 16931 1 12 . 1 1 18 18 ARG N N 15 0.819 0.097 1.04E-09 6.31E-10 . . . . . . . 5 . . . . . . . . . . 18 ARG N 16931 1 13 . 1 1 19 19 GLY N N 15 0.858 0.008 1.88E-11 1.01E-11 . . . . . . . 2 . . . . . . . . . . 19 GLY N 16931 1 14 . 1 1 21 21 THR N N 15 0.814 0.005 3.32E-11 6.03E-12 . . . . . . . 2 . . . . . . . . . . 21 THR N 16931 1 15 . 1 1 22 22 CYS N N 15 0.864 0.007 . . . . . . . . . 1 . . . . . . . . . . 22 CYS N 16931 1 16 . 1 1 23 23 VAL N N 15 0.882 0.007 . . . . . . . . . 1 . . . . . . . . . . 23 VAL N 16931 1 17 . 1 1 24 24 VAL N N 15 0.893 0.010 . . . . . . . . . 3 . . . . . . . . . . 24 VAL N 16931 1 18 . 1 1 26 26 TYR N N 15 0.868 0.026 . . . . . . . . . 3 . . . . . . . . . . 26 TYR N 16931 1 19 . 1 1 27 27 THR N N 15 0.851 0.014 2.35E-11 1.07E-11 . . . . . . . 4 . . . . . . . . . . 27 THR N 16931 1 20 . 1 1 28 28 GLY N N 15 0.864 0.013 . . . . . . . . . 3 . . . . . . . . . . 28 GLY N 16931 1 21 . 1 1 30 30 LEU N N 15 0.850 0.009 3.44E-11 8.72E-12 . . . . . . . 4 . . . . . . . . . . 30 LEU N 16931 1 22 . 1 1 32 32 ASP N N 15 0.841 0.007 5.24E-11 6.73E-12 . . . . . . . 4 . . . . . . . . . . 32 ASP N 16931 1 23 . 1 1 33 33 GLY N N 15 0.754 0.012 1.79E-09 1.96E-10 . . . . . . . 5 . . . . . . . . . . 33 GLY N 16931 1 24 . 1 1 34 34 LYS N N 15 0.814 0.008 1.26E-09 1.71E-10 . . . . . . . 5 . . . . . . . . . . 34 LYS N 16931 1 25 . 1 1 35 35 LYS N N 15 0.860 0.006 3.63E-11 7.92E-12 . . . . . . . 2 . . . . . . . . . . 35 LYS N 16931 1 26 . 1 1 36 36 PHE N N 15 0.887 0.016 5.93E-11 2.05E-11 . . . . . . . 4 . . . . . . . . . . 36 PHE N 16931 1 27 . 1 1 37 37 ASP N N 15 0.874 0.007 . . . . . . . . . 3 . . . . . . . . . . 37 ASP N 16931 1 28 . 1 1 38 38 SER N N 15 0.811 0.007 . . . . . . . . . 1 . . . . . . . . . . 38 SER N 16931 1 29 . 1 1 39 39 SER N N 15 0.975 0.021 . . . . . . . . . 3 . . . . . . . . . . 39 SER N 16931 1 30 . 1 1 40 40 ARG N N 15 0.916 0.017 . . . . . . . . . 3 . . . . . . . . . . 40 ARG N 16931 1 31 . 1 1 41 41 ASP N N 15 0.842 0.037 . . . . . . . . . 3 . . . . . . . . . . 41 ASP N 16931 1 32 . 1 1 42 42 ARG N N 15 0.921 0.068 . . . . . . . . . 3 . . . . . . . . . . 42 ARG N 16931 1 33 . 1 1 43 43 ASN N N 15 0.839 0.030 . . . . . . . . . 3 . . . . . . . . . . 43 ASN N 16931 1 34 . 1 1 44 44 LYS N N 15 0.811 0.008 2.99E-11 5.76E-12 . . . . . . . 4 . . . . . . . . . . 44 LYS N 16931 1 35 . 1 1 46 46 PHE N N 15 0.894 0.013 . . . . . . . . . 3 . . . . . . . . . . 46 PHE N 16931 1 36 . 1 1 47 47 LYS N N 15 0.809 0.006 1.76E-11 5.45E-12 . . . . . . . 2 . . . . . . . . . . 47 LYS N 16931 1 37 . 1 1 48 48 PHE N N 15 0.878 0.008 2E-11 9.43E-12 . . . . . . . 4 . . . . . . . . . . 48 PHE N 16931 1 38 . 1 1 49 49 MET N N 15 0.880 0.007 1.96E-11 1.06E-11 . . . . . . . 2 . . . . . . . . . . 49 MET N 16931 1 39 . 1 1 50 50 LEU N N 15 0.898 0.011 . . . . . . . . . 3 . . . . . . . . . . 50 LEU N 16931 1 40 . 1 1 51 51 GLY N N 15 0.838 0.015 2.44E-11 1.19E-11 . . . . . . . 4 . . . . . . . . . . 51 GLY N 16931 1 41 . 1 1 53 53 GLN N N 15 0.870 0.009 7.8E-11 1.36E-11 . . . . . . . 2 . . . . . . . . . . 53 GLN N 16931 1 42 . 1 1 54 54 GLU N N 15 0.909 0.018 3.39E-11 2.27E-11 . . . . . . . 4 . . . . . . . . . . 54 GLU N 16931 1 43 . 1 1 55 55 VAL N N 15 110.750 1.001 0.00000121 0.000000374 . . . . . . . 5 . . . . . . . . . . 55 VAL N 16931 1 44 . 1 1 56 56 ILE N N 15 0.914 0.012 . . . . . . . . . 1 . . . . . . . . . . 56 ILE N 16931 1 45 . 1 1 57 57 ARG N N 15 0.890 0.009 2.26E-11 1.18E-11 . . . . . . . 4 . . . . . . . . . . 57 ARG N 16931 1 46 . 1 1 58 58 GLY N N 15 0.926 0.010 . . . . . . . . . 1 . . . . . . . . . . 58 GLY N 16931 1 47 . 1 1 59 59 TRP N N 15 0.930 0.009 . . . . . . . . . 1 . . . . . . . . . . 59 TRP N 16931 1 48 . 1 1 60 60 GLU N N 15 0.853 0.008 . . . . . . . . . 3 . . . . . . . . . . 60 GLU N 16931 1 49 . 1 1 61 61 GLU N N 15 0.870 0.006 . . . . . . . . . 1 . . . . . . . . . . 61 GLU N 16931 1 50 . 1 1 62 62 GLY N N 15 0.861 0.006 2.43E-11 9.18E-12 . . . . . . . 2 . . . . . . . . . . 62 GLY N 16931 1 51 . 1 1 64 64 ALA N N 15 0.903 0.006 . . . . . . . . . 3 . . . . . . . . . . 64 ALA N 16931 1 52 . 1 1 65 65 GLN N N 15 0.865 0.006 . . . . . . . . . 1 . . . . . . . . . . 65 GLN N 16931 1 53 . 1 1 66 66 MET N N 15 0.883 0.006 . . . . . . . . . 1 . . . . . . . . . . 66 MET N 16931 1 54 . 1 1 67 67 SER N N 15 0.881 0.008 . . . . . . . . . 3 . . . . . . . . . . 67 SER N 16931 1 55 . 1 1 69 69 GLY N N 15 0.908 0.007 . . . . . . . . . 1 . . . . . . . . . . 69 GLY N 16931 1 56 . 1 1 70 70 GLN N N 15 0.926 0.007 2.44E-11 1.35E-11 . . . . . . . 4 . . . . . . . . . . 70 GLN N 16931 1 57 . 1 1 72 72 ALA N N 15 0.893 0.006 3.24E-11 1.03E-11 . . . . . . . 2 . . . . . . . . . . 72 ALA N 16931 1 58 . 1 1 73 73 LYS N N 15 0.863 0.006 . . . . . . . . . 1 . . . . . . . . . . 73 LYS N 16931 1 59 . 1 1 74 74 LEU N N 15 0.868 0.006 1.48E-11 8.64E-12 . . . . . . . 2 . . . . . . . . . . 74 LEU N 16931 1 60 . 1 1 75 75 THR N N 15 0.840 0.008 . . . . . . . . . 3 . . . . . . . . . . 75 THR N 16931 1 61 . 1 1 76 76 ILE N N 15 0.802 0.282 5.93E-09 3.88E-08 . . . . . . . 5 . . . . . . . . . . 76 ILE N 16931 1 62 . 1 1 77 77 SER N N 15 0.868 0.007 2.17E-11 8.84E-12 . . . . . . . 4 . . . . . . . . . . 77 SER N 16931 1 63 . 1 1 79 79 ASP N N 15 0.855 0.020 . . . . . . . . . 3 . . . . . . . . . . 79 ASP N 16931 1 64 . 1 1 80 80 TYR N N 15 0.874 0.006 1.37E-11 8.77E-12 . . . . . . . 2 . . . . . . . . . . 80 TYR N 16931 1 65 . 1 1 81 81 ALA N N 15 0.880 0.005 . . . . . . . . . 1 . . . . . . . . . . 81 ALA N 16931 1 66 . 1 1 82 82 TYR N N 15 0.878 0.011 . . . . . . . . . 1 . . . . . . . . . . 82 TYR N 16931 1 67 . 1 1 83 83 GLY N N 15 0.893 0.007 1.99E-11 1.11E-11 . . . . . . . 2 . . . . . . . . . . 83 GLY N 16931 1 68 . 1 1 85 85 THR N N 15 0.824 0.008 . . . . . . . . . 1 . . . . . . . . . . 85 THR N 16931 1 69 . 1 1 86 86 GLY N N 15 0.881 0.007 1.32E-11 7.92E-12 . . . . . . . 2 . . . . . . . . . . 86 GLY N 16931 1 70 . 1 1 90 90 ILE N N 15 0.848 0.006 2.07E-11 6.8E-12 . . . . . . . 2 . . . . . . . . . . 90 ILE N 16931 1 71 . 1 1 91 91 ILE N N 15 0.841 0.006 1.11E-11 6.47E-12 . . . . . . . 2 . . . . . . . . . . 91 ILE N 16931 1 72 . 1 1 94 94 HIS N N 15 0.889 0.010 . . . . . . . . . 1 . . . . . . . . . . 94 HIS N 16931 1 73 . 1 1 95 95 ALA N N 15 0.856 0.007 . . . . . . . . . 1 . . . . . . . . . . 95 ALA N 16931 1 74 . 1 1 96 96 THR N N 15 0.821 0.008 . . . . . . . . . 3 . . . . . . . . . . 96 THR N 16931 1 75 . 1 1 99 99 PHE N N 15 0.854 0.008 . . . . . . . . . 3 . . . . . . . . . . 99 PHE N 16931 1 76 . 1 1 101 101 VAL N N 15 0.869 0.008 . . . . . . . . . 3 . . . . . . . . . . 101 VAL N 16931 1 77 . 1 1 102 102 GLU N N 15 0.888 0.007 . . . . . . . . . 1 . . . . . . . . . . 102 GLU N 16931 1 78 . 1 1 103 103 LEU N N 15 0.886 0.006 . . . . . . . . . 1 . . . . . . . . . . 103 LEU N 16931 1 79 . 1 1 104 104 LEU N N 15 0.748 0.388 0.000000125 0.000000452 . . . . . . . 5 . . . . . . . . . . 104 LEU N 16931 1 80 . 1 1 105 105 LYS N N 15 0.851 0.005 . . . . . . . . . 1 . . . . . . . . . . 105 LYS N 16931 1 81 . 1 1 106 106 LEU N N 15 0.849 0.005 2.16E-11 7.2E-12 . . . . . . . 2 . . . . . . . . . . 106 LEU N 16931 1 82 . 1 1 107 107 GLU N N 15 0.781 0.076 4.49E-10 3.15E-10 . . . . . . . 5 . . . . . . . . . . 107 GLU N 16931 1 stop_ save_ ###################### # Order parameters # ###################### save_Side-chain_methyl_symmetry_axis_order_parameters _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode Side-chain_methyl_symmetry_axis_order_parameters _Order_parameter_list.Entry_ID 16931 _Order_parameter_list.ID 2 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units s _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units s _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 11 '2H T1' . . . 16931 2 12 '2H T2' . . . 16931 2 stop_ loop_ _Order_parameter_software.Software_ID _Order_parameter_software.Software_label _Order_parameter_software.Method_ID _Order_parameter_software.Method_label _Order_parameter_software.Entry_ID _Order_parameter_software.Order_parameter_list_ID 4 $relxn2.2 . . 16931 2 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 2 2 VAL CG11 C 13 0.545 0.017 5.74e-11 1.87e-12 . . . . . . . . . . . . . . . . . . 2 VAL CG11 16931 2 2 . 1 1 2 2 VAL CG21 C 13 0.582 0.032 1.12e-10 4.86e-12 . . . . . . . . . . . . . . . . . . 2 VAL CG21 16931 2 3 . 1 1 4 4 VAL CG11 C 13 0.821 0.020 3.48e-11 1.54e-12 . . . . . . . . . . . . . . . . . . 4 VAL CG11 16931 2 4 . 1 1 7 7 ILE CD11 C 13 0.526 0.014 2.84e-11 1.23e-12 . . . . . . . . . . . . . . . . . . 7 ILE CD11 16931 2 5 . 1 1 7 7 ILE CG21 C 13 0.730 0.019 3.93e-11 1.52e-12 . . . . . . . . . . . . . . . . . . 7 ILE CG21 16931 2 6 . 1 1 14 14 THR CG21 C 13 0.795 0.039 4.69e-11 3.29e-12 . . . . . . . . . . . . . . . . . . 14 THR CG21 16931 2 7 . 1 1 23 23 VAL CG21 C 13 0.875 0.030 2.75e-11 2.02e-12 . . . . . . . . . . . . . . . . . . 23 VAL CG21 16931 2 8 . 1 1 24 24 VAL CG11 C 13 0.771 0.045 4.72e-11 4.06e-12 . . . . . . . . . . . . . . . . . . 24 VAL CG11 16931 2 9 . 1 1 24 24 VAL CG21 C 13 0.642 0.043 6.19e-11 4.64e-12 . . . . . . . . . . . . . . . . . . 24 VAL CG21 16931 2 10 . 1 1 27 27 THR CG21 C 13 0.815 0.027 3.01e-11 1.96e-12 . . . . . . . . . . . . . . . . . . 27 THR CG21 16931 2 11 . 1 1 29 29 MET CE1 C 13 0.294 0.012 1.11e-11 6.18e-13 . . . . . . . . . . . . . . . . . . 29 MET CE1 16931 2 12 . 1 1 30 30 LEU CD11 C 13 0.667 0.022 4.82e-11 2.07e-12 . . . . . . . . . . . . . . . . . . 30 LEU CD11 16931 2 13 . 1 1 30 30 LEU CD21 C 13 0.620 0.019 4.34e-11 1.87e-12 . . . . . . . . . . . . . . . . . . 30 LEU CD21 16931 2 14 . 1 1 49 49 MET CE1 C 13 0.296 0.014 1.11e-11 6.60e-13 . . . . . . . . . . . . . . . . . . 49 MET CE1 16931 2 15 . 1 1 50 50 LEU CD11 C 13 0.465 0.032 4.78e-11 3.71e-12 . . . . . . . . . . . . . . . . . . 50 LEU CD11 16931 2 16 . 1 1 50 50 LEU CD21 C 13 0.505 0.060 3.42e-11 6.20e-12 . . . . . . . . . . . . . . . . . . 50 LEU CD21 16931 2 17 . 1 1 55 55 VAL CG11 C 13 0.832 0.168 1.57e-10 2.47e-11 . . . . . . . . . . . . . . . . . . 55 VAL CG11 16931 2 18 . 1 1 55 55 VAL CG21 C 13 1.071 0.389 1.29e-10 5.71e-11 . . . . . . . . . . . . . . . . . . 55 VAL CG21 16931 2 19 . 1 1 56 56 ILE CD11 C 13 0.823 0.056 2.38e-11 4.09e-12 . . . . . . . . . . . . . . . . . . 56 ILE CD11 16931 2 20 . 1 1 56 56 ILE CG21 C 13 0.797 0.068 2.91e-11 5.00e-12 . . . . . . . . . . . . . . . . . . 56 ILE CG21 16931 2 21 . 1 1 63 63 VAL CG11 C 13 0.838 0.021 5.54e-11 1.79e-12 . . . . . . . . . . . . . . . . . . 63 VAL CG11 16931 2 22 . 1 1 63 63 VAL CG21 C 13 0.826 0.044 2.96e-11 3.14e-12 . . . . . . . . . . . . . . . . . . 63 VAL CG21 16931 2 23 . 1 1 64 64 ALA CB1 C 13 0.867 0.031 3.94e-11 2.19e-12 . . . . . . . . . . . . . . . . . . 64 ALA CB1 16931 2 24 . 1 1 66 66 MET CE1 C 13 0.911 0.020 8.28e-12 1.12e-12 . . . . . . . . . . . . . . . . . . 66 MET CE1 16931 2 25 . 1 1 68 68 VAL CG21 C 13 0.542 0.021 8.36e-11 2.76e-12 . . . . . . . . . . . . . . . . . . 68 VAL CG21 16931 2 26 . 1 1 72 72 ALA CB1 C 13 0.894 0.067 1.17e-10 8.16e-12 . . . . . . . . . . . . . . . . . . 72 ALA CB1 16931 2 27 . 1 1 74 74 LEU CD11 C 13 0.242 0.023 1.02e-10 4.19e-12 . . . . . . . . . . . . . . . . . . 74 LEU CD11 16931 2 28 . 1 1 74 74 LEU CD21 C 13 0.269 0.014 7.09e-11 2.10e-12 . . . . . . . . . . . . . . . . . . 74 LEU CD21 16931 2 29 . 1 1 75 75 THR CG21 C 13 0.975 0.043 4.08e-11 2.82e-12 . . . . . . . . . . . . . . . . . . 75 THR CG21 16931 2 30 . 1 1 76 76 ILE CD11 C 13 0.778 0.044 1.52e-11 3.30e-12 . . . . . . . . . . . . . . . . . . 76 ILE CD11 16931 2 31 . 1 1 76 76 ILE CG21 C 13 0.456 0.236 2.03e-10 4.74e-11 . . . . . . . . . . . . . . . . . . 76 ILE CG21 16931 2 32 . 1 1 81 81 ALA CB1 C 13 0.665 0.098 1.06e-10 1.31e-11 . . . . . . . . . . . . . . . . . . 81 ALA CB1 16931 2 33 . 1 1 84 84 ALA CB1 C 13 0.923 0.030 6.20e-11 2.43e-12 . . . . . . . . . . . . . . . . . . 84 ALA CB1 16931 2 34 . 1 1 85 85 THR CG21 C 13 0.375 0.008 7.06e-11 1.17e-12 . . . . . . . . . . . . . . . . . . 85 THR CG21 16931 2 35 . 1 1 90 90 ILE CD11 C 13 0.486 0.014 2.78e-11 1.32e-12 . . . . . . . . . . . . . . . . . . 90 ILE CD11 16931 2 36 . 1 1 90 90 ILE CG21 C 13 0.694 0.018 2.33e-11 1.44e-12 . . . . . . . . . . . . . . . . . . 90 ILE CG21 16931 2 37 . 1 1 91 91 ILE CD11 C 13 0.412 0.025 4.48e-11 3.05e-12 . . . . . . . . . . . . . . . . . . 91 ILE CD11 16931 2 38 . 1 1 91 91 ILE CG21 C 13 0.790 0.052 4.20e-11 4.14e-12 . . . . . . . . . . . . . . . . . . 91 ILE CG21 16931 2 39 . 1 1 95 95 ALA CB1 C 13 0.890 0.035 4.20e-11 2.70e-12 . . . . . . . . . . . . . . . . . . 95 ALA CB1 16931 2 40 . 1 1 96 96 THR CG21 C 13 0.844 0.050 5.80e-11 4.05e-12 . . . . . . . . . . . . . . . . . . 96 THR CG21 16931 2 41 . 1 1 98 98 VAL CG21 C 13 0.780 0.020 4.07e-11 1.64e-12 . . . . . . . . . . . . . . . . . . 98 VAL CG21 16931 2 42 . 1 1 101 101 VAL CG11 C 13 0.632 0.033 5.07e-11 3.31e-12 . . . . . . . . . . . . . . . . . . 101 VAL CG11 16931 2 43 . 1 1 101 101 VAL CG21 C 13 0.595 0.041 5.63e-11 4.14e-12 . . . . . . . . . . . . . . . . . . 101 VAL CG21 16931 2 44 . 1 1 103 103 LEU CD11 C 13 0.786 0.043 5.97e-11 4.19e-12 . . . . . . . . . . . . . . . . . . 103 LEU CD11 16931 2 45 . 1 1 104 104 LEU CD21 C 13 0.611 0.022 4.17e-11 2.04e-12 . . . . . . . . . . . . . . . . . . 104 LEU CD21 16931 2 46 . 1 1 106 106 LEU CD21 C 13 0.598 0.081 4.43e-11 7.64e-12 . . . . . . . . . . . . . . . . . . 106 LEU CD21 16931 2 stop_ save_ ###################### # Order parameters # ###################### save_Side-chain_aromatic_order_parameters _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode Side-chain_aromatic_order_parameters _Order_parameter_list.Entry_ID 16931 _Order_parameter_list.ID 3 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units s _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units s _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 13 'ARO 13C T1' . . . 16931 3 14 'ARO 13C T2' . . . 16931 3 15 'ARO {1H}-13C NOE' . . . 16931 3 stop_ loop_ _Order_parameter_software.Software_ID _Order_parameter_software.Software_label _Order_parameter_software.Method_ID _Order_parameter_software.Method_label _Order_parameter_software.Entry_ID _Order_parameter_software.Order_parameter_list_ID 4 $relxn2.2 . . 16931 3 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 15 15 PHE CD1 C 13 0.77875 0.056797887 7.04E-10 . . . . . . . . 5 . . . . . . . . . . 15 PHE CD1 16931 3 2 . 1 1 25 25 HIS CD2 C 13 0.675 0.093 . . . . . . . . . 1 . . . . . . . . . . 25 HIS CD2 16931 3 3 . 1 1 36 36 PHE CD1 C 13 0.962 0.021 1.85E-10 . . . . . . . . 2 . . . . . . . . . . 36 PHE CD1 16931 3 4 . 1 1 59 59 TRP CD1 C 13 0.616 0.127 . . . . . . . . . 1 . . . . . . . . . . 59 TRP CD1 16931 3 5 . 1 1 80 80 TYR CD1 C 13 0.611489 0.050219518 5.47E-10 . . . . . . . . 5 . . . . . . . . . . 80 TYR CD1 16931 3 6 . 1 1 94 94 HIS CD2 C 13 0.754 0.058 2.33E-11 . . . . . . . . 2 . . . . . . . . . . 94 HIS CD2 16931 3 stop_ save_