Content for NMR-STAR saveframe, "order_parameter_list_Lipari-Szabo_1"
save_order_parameter_list_Lipari-Szabo_1
_Order_parameter_list.Sf_category order_parameters
_Order_parameter_list.Sf_framecode order_parameter_list_Lipari-Szabo_1
_Order_parameter_list.Entry_ID 26507
_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 .
_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
1 '1H-15N HSQC 1' . . . 26507 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 3 3 PHE N N 15 0.905 0.015 . . 0.08 0.03 . . . . . . . . . . . . . . . . . . . 26507 1
2 . 1 1 4 4 GLY N N 15 0.955 0.015 . . 0.875 0.425 . . . . . . . . . . . . . . . . . . . 26507 1
3 . 1 1 5 5 ALA N N 15 0.97 0.01 . . 0.425 0.305 . . . . . . . . . . . . . . . . . . . 26507 1
4 . 1 1 6 6 ILE N N 15 0.905 0.015 . . 0.075 0.025 . . . . . . . . . . . . . . . . . . . 26507 1
5 . 1 1 7 7 ALA N N 15 0.925 0.015 . . 0.13 0.05 . . . . . . . . . . . . . . . . . . . 26507 1
6 . 1 1 8 8 GLY N N 15 0.925 0.015 . . 0.055 0.035 . . . . . . . . . . . . . . . . . . . 26507 1
7 . 1 1 9 9 PHE N N 15 0.935 0.015 . . 0.165 0.065 . . . . . . . . . . . . . . . . . . . 26507 1
8 . 1 1 10 10 ILE N N 15 0.915 0.015 . . 0.105 0.035 . . . . . . . . . . . . . . . . . . . 26507 1
9 . 1 1 11 11 GLU N N 15 0.945 0.015 . . 0.14 0.06 . . . . . . . . . . . . . . . . . . . 26507 1
10 . 1 1 12 12 GLY N N 15 0.855 0.015 . . 0.045 0.015 . . . . . . . . . . . . . . . . . . . 26507 1
11 . 1 1 13 13 GLY N N 15 0.945 0.015 . . 0.345 0.235 . . . . . . . . . . . . . . . . . . . 26507 1
12 . 1 1 14 14 TRP N N 15 0.915 0.015 . . 0.09 0.04 . . . . . . . . . . . . . . . . . . . 26507 1
13 . 1 1 15 15 THR N N 15 0.895 0.015 . . 0.085 0.025 . . . . . . . . . . . . . . . . . . . 26507 1
14 . 1 1 16 16 GLY N N 15 0.925 0.015 . . 0.11 0.04 . . . . . . . . . . . . . . . . . . . 26507 1
15 . 1 1 17 17 MET N N 15 0.99 0.01 . . 4.87 4.87 . . . . . . . . . . . . . . . . . . . 26507 1
16 . 1 1 18 18 ILE N N 15 0.925 0.015 . . 0.06 0.03 . . . . . . . . . . . . . . . . . . . 26507 1
17 . 1 1 19 19 ASP N N 15 0.915 0.015 . . 0.1 0.03 . . . . . . . . . . . . . . . . . . . 26507 1
18 . 1 1 20 20 GLY N N 15 0.915 0.015 . . 0.11 0.04 . . . . . . . . . . . . . . . . . . . 26507 1
19 . 1 1 21 21 TRP N N 15 0.945 0.015 . . 0.14 0.07 . . . . . . . . . . . . . . . . . . . 26507 1
20 . 1 1 22 22 TYR N N 15 0.935 0.015 . . 0.115 0.055 . . . . . . . . . . . . . . . . . . . 26507 1
21 . 1 1 23 23 GLY N N 15 0.85 0.01 . . 0.11 0.02 . . . . . . . . . . . . . . . . . . . 26507 1
stop_
save_