Content for NMR-STAR saveframe, "order_parameter_list_3"
save_order_parameter_list_3
_Order_parameter_list.Sf_category order_parameters
_Order_parameter_list.Sf_framecode order_parameter_list_3
_Order_parameter_list.Entry_ID 26503
_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 ps
_Order_parameter_list.Tau_f_val_units .
_Order_parameter_list.Tau_s_val_units .
_Order_parameter_list.Rex_field_strength .
_Order_parameter_list.Rex_val_units .
_Order_parameter_list.Details
;
L-S modelfree analysis considering remote dipolar interactions with 1H (ravg = 2.3 A) and C (ravg = 2.3 A
or 1.4 A [bond length of C-C in aromatic ring]). In either case, the fitting resulted in identical values.
The fit errors for all the residues were between 5-10% for the [1-13C]glucose sample, whereas the L-S
model free analysis of the [4-13C]-erythrose/deuterated pyruvate/D2O sample resulted in fit errors of less
than 1% for all residues.
;
_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
2 '13C HSQC 2' . . . 26503 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 12 12 PHE CD2 C 13 0.54 0.06 300 32 . . . . . . . . . . . . . . . . . . . . . 26503 3
2 . 1 1 16 16 PHE CD2 C 13 0.98 0.02 1068 124 . . . . . . . . . . . . . . . . . . . . . 26503 3
3 . 1 1 19 19 PHE CD2 C 13 0.52 0.02 300 51 . . . . . . . . . . . . . . . . . . . . . 26503 3
4 . 1 1 65 65 PHE CD2 C 13 0.90 0.05 948 92 . . . . . . . . . . . . . . . . . . . . . 26503 3
5 . 1 1 68 68 PHE CD2 C 13 0.98 0.02 1476 156 . . . . . . . . . . . . . . . . . . . . . 26503 3
6 . 1 1 89 89 PHE CD2 C 13 0.98 0.01 660 81 . . . . . . . . . . . . . . . . . . . . . 26503 3
7 . 1 1 92 92 PHE CD2 C 13 0.48 0.07 264 27 . . . . . . . . . . . . . . . . . . . . . 26503 3
8 . 1 1 99 99 TYR CD2 C 13 0.96 0.02 884 100 . . . . . . . . . . . . . . . . . . . . . 26503 3
9 . 1 1 138 138 TYR CD2 C 13 0.96 0.02 1432 156 . . . . . . . . . . . . . . . . . . . . . 26503 3
10 . 1 1 141 141 PHE CD2 C 13 0.98 0.02 772 85 . . . . . . . . . . . . . . . . . . . . . 26503 3
stop_
save_