Content for NMR-STAR saveframe, "order_parameter_list_Lipari-Szabo_2"
save_order_parameter_list_Lipari-Szabo_2
_Order_parameter_list.Sf_category order_parameters
_Order_parameter_list.Sf_framecode order_parameter_list_Lipari-Szabo_2
_Order_parameter_list.Entry_ID 26507
_Order_parameter_list.ID 2
_Order_parameter_list.Sample_condition_list_ID 2
_Order_parameter_list.Sample_condition_list_label $sample_conditions_2
_Order_parameter_list.Tau_e_val_units .
_Order_parameter_list.Tau_f_val_units ns
_Order_parameter_list.Tau_s_val_units .
_Order_parameter_list.Rex_field_strength .
_Order_parameter_list.Rex_val_units .
_Order_parameter_list.Details
;
(a) The best-fit overall rotational correlation times are 8.2 0.1 ns (DPC), 11.1 0.1 ns (q=0.29), 21.0 0.5 ns (q=0.52), 23.3 0.8 ns (q=0.55) and 35.9 0.6 ns
(q=0.69). The search space for the overall and internal motional parameters match those of the combined fit (see Data Analysis) except \u03c4i, which was fit over the
range of 0-15 ns, and \u03c4R, which was fit over the range 5-15 ns (DPC), 10-25 ns (q=0.29), 15-35 ns (q=0.52 and q=0.55) and 30-50 ns (q=0.69). For fits without a
heteronuclear NOE measurement (q=0.55 and q=0.69), the q=0.52 NOE dataset was used in the fits.
(b) Reported ranges represent the one standard-deviation confidence region on the \u03c72-surface.
;
_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
3 '1H-15N HSQC 3' . . . 26507 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 3 3 PHE N N 15 0.925 0.015 . . 1.25 0.25 . . . . . . . . . . . . . . . . . . . 26507 2
2 . 1 1 4 4 GLY N N 15 0.935 0.015 . . 1.3 0.4 . . . . . . . . . . . . . . . . . . . 26507 2
3 . 1 1 5 5 ALA N N 15 0.94 0.01 . . 1.7 0.5 . . . . . . . . . . . . . . . . . . . 26507 2
4 . 1 1 6 6 ILE N N 15 0.95 0.01 . . 0.05 0.05 . . . . . . . . . . . . . . . . . . . 26507 2
5 . 1 1 7 7 ALA N N 15 0.955 0.015 . . 1.2 0.4 . . . . . . . . . . . . . . . . . . . 26507 2
6 . 1 1 8 8 GLY N N 15 0.95 0.01 . . 0.7 0.2 . . . . . . . . . . . . . . . . . . . 26507 2
7 . 1 1 9 9 PHE N N 15 0.96 0.01 . . 1.25 0.45 . . . . . . . . . . . . . . . . . . . 26507 2
8 . 1 1 10 10 ILE N N 15 0.95 0.01 . . 0.95 0.25 . . . . . . . . . . . . . . . . . . . 26507 2
9 . 1 1 11 11 GLU N N 15 0.95 0.01 . . 0.6 0.2 . . . . . . . . . . . . . . . . . . . 26507 2
10 . 1 1 12 12 GLY N N 15 0.91 0.01 . . 0.1 0 . . . . . . . . . . . . . . . . . . . 26507 2
11 . 1 1 13 13 GLY N N 15 0.96 0.01 . . 0.8 0.2 . . . . . . . . . . . . . . . . . . . 26507 2
12 . 1 1 14 14 TRP N N 15 0.93 0.01 . . 1.25 0.25 . . . . . . . . . . . . . . . . . . . 26507 2
13 . 1 1 15 15 THR N N 15 0.95 0.01 . . 1.2 0.3 . . . . . . . . . . . . . . . . . . . 26507 2
14 . 1 1 16 16 GLY N N 15 0.94 0.01 . . 1.05 0.25 . . . . . . . . . . . . . . . . . . . 26507 2
15 . 1 1 17 17 MET N N 15 0.96 0.01 . . 1.4 0.5 . . . . . . . . . . . . . . . . . . . 26507 2
16 . 1 1 18 18 ILE N N 15 0.94 0.01 . . 1.2 0.3 . . . . . . . . . . . . . . . . . . . 26507 2
17 . 1 1 19 19 ASP N N 15 0.95 0.01 . . 0.95 0.25 . . . . . . . . . . . . . . . . . . . 26507 2
18 . 1 1 20 20 GLY N N 15 0.94 0.01 . . 1.05 0.25 . . . . . . . . . . . . . . . . . . . 26507 2
19 . 1 1 21 21 TRP N N 15 0.94 0.01 . . 1.4 0.4 . . . . . . . . . . . . . . . . . . . 26507 2
20 . 1 1 22 22 TYR N N 15 0.93 0.01 . . 0.9 0.2 . . . . . . . . . . . . . . . . . . . 26507 2
21 . 1 1 23 23 GLY N N 15 0.86 0.01 . . 0.85 0.05 . . . . . . . . . . . . . . . . . . . 26507 2
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