Content for NMR-STAR saveframe, "S2_com"
save_S2_com
_Order_parameter_list.Sf_category order_parameters
_Order_parameter_list.Sf_framecode S2_com
_Order_parameter_list.Entry_ID 7126
_Order_parameter_list.ID 1
_Order_parameter_list.Sample_condition_list_ID 1
_Order_parameter_list.Sample_condition_list_label $conditions_1
_Order_parameter_list.Tau_e_val_units .
_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 'Methyl axial order parameters of sub-nanosecond motions for barnase-barstar complex'
_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
5 '13C HSQC-RQ(3Dz2-2)' 1 $sample_1 isotropic 7126 1
6 '13C HSQC-RQ(D+z+Dz+)' 1 $sample_1 isotropic 7126 1
7 '13C HSQC-RQ(Dz)' 1 $sample_1 isotropic 7126 1
8 '13C HSQC-RQ(D+)' 1 $sample_1 isotropic 7126 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 $DASHA . . 7126 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 1 1 ALA CB C 13 0.180 0.014 0.0250 0.0010 . . . . . . . . . . . . . . . . . . . . . 7126 1
2 . 1 1 3 3 VAL CG1 C 13 0.612 0.018 0.0460 0.0010 . . . . . . . . . . . . . . . . . . . . . 7126 1
3 . 1 1 4 4 ILE CG2 C 13 0.855 0.027 0.0220 0.0010 . . . . . . . . . . . . . . . . . . . . . 7126 1
4 . 1 1 10 10 VAL CG1 C 13 1.053 0.058 0.0430 0.0015 . . . . . . . . . . . . . . . . . . . . . 7126 1
5 . 1 1 11 11 ALA CB C 13 0.630 0.117 0.0680 0.0025 . . . . . . . . . . . . . . . . . . . . . 7126 1
6 . 1 1 14 14 LEU CD2 C 13 0.810 0.095 0.0160 0.0035 . . . . . . . . . . . . . . . . . . . . . 7126 1
7 . 1 1 20 20 LEU CD1 C 13 1.215 0.450 0.0760 0.0140 . . . . . . . . . . . . . . . . . . . . . 7126 1
8 . 1 1 25 25 ILE CG2 C 13 0.792 0.081 0.0440 0.0020 . . . . . . . . . . . . . . . . . . . . . 7126 1
9 . 1 1 30 30 ALA CB C 13 0.927 0.221 0.0720 0.0060 . . . . . . . . . . . . . . . . . . . . . 7126 1
10 . 1 1 32 32 ALA CB C 13 0.891 0.040 0.0260 0.0015 . . . . . . . . . . . . . . . . . . . . . 7126 1
11 . 1 1 33 33 LEU CD1 C 13 0.747 0.081 0.0520 0.0030 . . . . . . . . . . . . . . . . . . . . . 7126 1
12 . 1 1 33 33 LEU CD2 C 13 0.837 0.059 0.0310 0.0020 . . . . . . . . . . . . . . . . . . . . . 7126 1
13 . 1 1 37 37 ALA CB C 13 0.828 0.180 0.0730 0.0030 . . . . . . . . . . . . . . . . . . . . . 7126 1
14 . 1 1 42 42 LEU CD1 C 13 1.116 0.211 0.0510 0.0075 . . . . . . . . . . . . . . . . . . . . . 7126 1
15 . 1 1 42 42 LEU CD2 C 13 0.783 0.126 0.0500 0.0025 . . . . . . . . . . . . . . . . . . . . . 7126 1
16 . 1 1 43 43 ALA CB C 13 0.873 0.068 0.0380 0.0020 . . . . . . . . . . . . . . . . . . . . . 7126 1
17 . 1 1 45 45 VAL CG1 C 13 0.801 0.027 0.0190 0.0010 . . . . . . . . . . . . . . . . . . . . . 7126 1
18 . 1 1 45 45 VAL CG2 C 13 0.936 0.045 0.0290 0.0020 . . . . . . . . . . . . . . . . . . . . . 7126 1
19 . 1 1 46 46 ALA CB C 13 1.143 0.063 0.0530 0.0020 . . . . . . . . . . . . . . . . . . . . . 7126 1
20 . 1 1 51 51 ILE CG2 C 13 0.954 0.090 0.0440 0.0035 . . . . . . . . . . . . . . . . . . . . . 7126 1
21 . 1 1 51 51 ILE CD1 C 13 0.738 0.023 0.0160 0.0010 . . . . . . . . . . . . . . . . . . . . . 7126 1
22 . 1 1 55 55 ILE CG2 C 13 0.738 0.063 0.0690 0.0020 . . . . . . . . . . . . . . . . . . . . . 7126 1
23 . 1 1 55 55 ILE CD1 C 13 0.450 0.018 0.0260 0.0015 . . . . . . . . . . . . . . . . . . . . . 7126 1
24 . 1 1 63 63 LEU CD1 C 13 0.603 0.158 0.0460 0.0040 . . . . . . . . . . . . . . . . . . . . . 7126 1
25 . 1 1 63 63 LEU CD2 C 13 0.828 0.167 0.0610 0.0040 . . . . . . . . . . . . . . . . . . . . . 7126 1
26 . 1 1 74 74 ALA CB C 13 1.080 0.104 0.0190 0.0030 . . . . . . . . . . . . . . . . . . . . . 7126 1
27 . 1 1 76 76 ILE CG2 C 13 1.008 0.140 0.0440 0.0045 . . . . . . . . . . . . . . . . . . . . . 7126 1
28 . 1 1 76 76 ILE CD1 C 13 0.873 0.090 0.0040 0.0030 . . . . . . . . . . . . . . . . . . . . . 7126 1
29 . 1 1 88 88 ILE CG2 C 13 0.621 0.036 0.0350 0.0010 . . . . . . . . . . . . . . . . . . . . . 7126 1
30 . 1 1 88 88 ILE CD1 C 13 0.810 0.018 0.0060 0.0005 . . . . . . . . . . . . . . . . . . . . . 7126 1
31 . 1 1 89 89 LEU CD1 C 13 0.702 0.027 0.0300 0.0015 . . . . . . . . . . . . . . . . . . . . . 7126 1
32 . 1 1 89 89 LEU CD2 C 13 0.846 0.085 0.0640 0.0025 . . . . . . . . . . . . . . . . . . . . . 7126 1
33 . 1 1 95 95 LEU CD1 C 13 0.423 0.032 0.0390 0.0010 . . . . . . . . . . . . . . . . . . . . . 7126 1
34 . 1 1 96 96 ILE CG2 C 13 0.918 0.072 0.0240 0.0020 . . . . . . . . . . . . . . . . . . . . . 7126 1
35 . 1 1 99 99 THR CG2 C 13 0.252 0.054 0.0030 0.0035 . . . . . . . . . . . . . . . . . . . . . 7126 1
36 . 1 1 105 105 THR CG2 C 13 0.873 0.041 0.0580 0.0020 . . . . . . . . . . . . . . . . . . . . . 7126 1
37 . 1 1 107 107 THR CG2 C 13 1.044 0.049 0.0560 0.0030 . . . . . . . . . . . . . . . . . . . . . 7126 1
38 . 1 1 109 109 ILE CG2 C 13 0.855 0.032 0.0360 0.0015 . . . . . . . . . . . . . . . . . . . . . 7126 1
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