######################
# Order parameters #
######################
save_order_parameter_list_1
_Order_parameter_list.Sf_category order_parameters
_Order_parameter_list.Sf_framecode order_parameter_list_1
_Order_parameter_list.Entry_ID 26504
_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 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
;
Model selection for model-free models (model0 = {}, model1 = {S2}, model2 = {S2, te},
model3 = {S2, Rex}, model4 = { S2, te, Rex }, model5 = {S2, S2f, ts}, model6 = {S2, tf, S2f, ts},
model7 = {S2, S2f, ts, Rex}, model8 = {S2, tf, S2f, ts, Rex}, model9 = {Rex}) was performed
using Akaike information criteria (d'Auvergne and Gooley, 2003; d'Auvergne and Gooley,
2008a).
;
_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 '2D 1H-15N HSQC' . . . 26504 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
3 $NESSY . . 26504 1
4 $relaxGUI . . 26504 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 ASP N N 15 0.649 0.05 . . . . . . 2.850 4.94 . 'S2, Rex' . . . . . . . . . . . . . 26504 1
2 . 1 1 3 3 CYS N N 15 0.521 0.03 . . . . . . . . . 'S2, S2f, ts' . . . . . . . . . . . . . 26504 1
3 . 1 1 4 4 ILE N N 15 0.859 0.00 . . . . . . . . . S2 . . . . . . . . . . . . . 26504 1
4 . 1 1 6 6 LYS N N 15 0.834 0.00 . . . . . . . . . 'S2, te' . . . . . . . . . . . . . 26504 1
5 . 1 1 7 7 TRP N N 15 0.878 0.03 . . . . . . . . . S2 . . . . . . . . . . . . . 26504 1
6 . 1 1 8 8 LYS N N 15 0.785 0.01 . . . . . . 2.15 1.13 . 'S2, Rex' . . . . . . . . . . . . . 26504 1
7 . 1 1 9 9 GLY N N 15 0.813 0.00 . . . . . . . . . S2 . . . . . . . . . . . . . 26504 1
8 . 1 1 10 10 CYS N N 15 0.871 0.00 . . . . . . . . . S2 . . . . . . . . . . . . . 26504 1
9 . 1 1 12 12 ASN N N 15 0.619 0.03 2.27 7.74 . . . . 1.10 2.96 . 'S2, te, Rex' . . . . . . . . . . . . . 26504 1
10 . 1 1 13 13 ARG N N 15 0.806 0.02 . . . . . . 2.68 2.16 . 'S2, Rex' . . . . . . . . . . . . . 26504 1
11 . 1 1 14 14 HIS N N 15 0.494 0.27 . . . . . . 1.22 1.17 . 'S2, S2f, ts, Rex' . . . . . . . . . . . . . 26504 1
12 . 1 1 15 15 GLY N N 15 0.851 0.02 . . . . . . 1.27 1.80 . 'S2, Rex' . . . . . . . . . . . . . 26504 1
13 . 1 1 16 16 ASP N N 15 0.798 0.00 9.77 6.24 . . . . 4.28 7.55 . 'S2, te, Rex' . . . . . . . . . . . . . 26504 1
14 . 1 1 17 17 CYS N N 15 0.805 0.00 . . . . . . 7.88 3.94 . 'S2, Rex' . . . . . . . . . . . . . 26504 1
15 . 1 1 18 18 CYS N N 15 0.752 0.00 . . . . . . 2.48 4.65 . 'S2, Rex' . . . . . . . . . . . . . 26504 1
16 . 1 1 19 19 GLU N N 15 0.708 0.00 . . . . . . 4.77 3.51 . 'S2, Rex' . . . . . . . . . . . . . 26504 1
17 . 1 1 20 20 GLY N N 15 0.708 0.00 . . . . . . 1.39 3.24 . 'S2, Rex' . . . . . . . . . . . . . 26504 1
18 . 1 1 22 22 GLU N N 15 0.797 0.00 . . . . . . 1.81 6.27 . 'S2, Rex' . . . . . . . . . . . . . 26504 1
19 . 1 1 23 23 CYS N N 15 0.828 0.00 . . . . . . . . . 'S2, te' . . . . . . . . . . . . . 26504 1
20 . 1 1 24 24 TRP N N 15 0.817 0.01 . . . . . . 4.33 1.62 . 'S2, Rex' . . . . . . . . . . . . . 26504 1
21 . 1 1 25 25 LYS N N 15 0.740 0.01 . . . . . . 3.14 1.43 . 'S2, Rex' . . . . . . . . . . . . . 26504 1
22 . 1 1 27 27 ARG N N 15 0.666 0.01 1.25 4.47 . . . . 1.39 1.85 . 'S2, te, Rex' . . . . . . . . . . . . . 26504 1
23 . 1 1 28 28 ARG N N 15 0.666 0.08 5.23 1.89 . . . . 5.36 9.81 . 'S2, te, Rex' . . . . . . . . . . . . . 26504 1
24 . 1 1 29 29 SER N N 15 0.731 0.04 . . . . . . 3.46 1.95 . 'S2, Rex' . . . . . . . . . . . . . 26504 1
25 . 1 1 30 30 PHE N N 15 0.710 0.02 . . . . . . 8.81 1.56 . 'S2, Rex' . . . . . . . . . . . . . 26504 1
26 . 1 1 32 32 VAL N N 15 0.142 0.04 . . . . . . . . . 'S2, te' . . . . . . . . . . . . . 26504 1
27 . 1 1 33 33 CYS N N 15 0.806 0.00 . . . . . . 1.26 6.67 . 'S2, Rex' . . . . . . . . . . . . . 26504 1
28 . 1 1 34 34 VAL N N 15 0.802 0.00 . . . . . . 3.67 8.35 . 'S2, Rex' . . . . . . . . . . . . . 26504 1
29 . 1 1 36 36 LYS N N 15 0.803 0.00 . . . . . . . . . 'S2, te' . . . . . . . . . . . . . 26504 1
30 . 1 1 37 37 THR N N 15 0.773 0.04 . . . . . . . . . 'S2, te' . . . . . . . . . . . . . 26504 1
31 . 1 1 39 39 LYS N N 15 0.397 0.00 . . . . . . . . . 'S2, S2f, ts' . . . . . . . . . . . . . 26504 1
stop_
save_