Content for NMR-STAR saveframe, spectral_peak_list_9
save_spectral_peak_list_9
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_9
_Spectral_peak_list.Entry_ID 51947
_Spectral_peak_list.ID 9
_Spectral_peak_list.Name 'peak list 9 hcch-tocsy scrub'
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 8
_Spectral_peak_list.Experiment_name '3D HCCH-TOCSY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . C 13 C* . 'not observed' 12000 Hz . . . . . . 51947 9
2 . . H 1 H* . 'not observed' 3000 Hz . . . . . . 51947 9
3 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 9
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
3 $software_3 . . 51947 9
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
1 460148342784.000000 . height 51947 9
2 182461726720.000000 . height 51947 9
3 214153822208.000000 . height 51947 9
4 290253078528.000000 . height 51947 9
5 314023149568.000000 . height 51947 9
6 91802656768.000000 . height 51947 9
7 75509719040.000000 . height 51947 9
8 1215108743168.000000 . height 51947 9
9 465854464000.000000 . height 51947 9
10 108627951616.000000 . height 51947 9
11 479173738496.000000 . height 51947 9
12 285983604736.000000 . height 51947 9
13 563333169152.000000 . height 51947 9
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 9.540 . . . . . . . . . . . . . 51947 9
1 2 0.756 . . . . . . . . . . . . . 51947 9
1 3 0.750 . . . . . . . . . . . . . 51947 9
2 1 9.616 . . . . . . . . . . . . . 51947 9
2 2 0.743 . . . . . . . . . . . . . 51947 9
2 3 1.049 . . . . . . . . . . . . . 51947 9
3 1 9.590 . . . . . . . . . . . . . 51947 9
3 2 0.743 . . . . . . . . . . . . . 51947 9
3 3 1.402 . . . . . . . . . . . . . 51947 9
4 1 9.565 . . . . . . . . . . . . . 51947 9
4 2 0.742 . . . . . . . . . . . . . 51947 9
4 3 1.759 . . . . . . . . . . . . . 51947 9
5 1 14.099 . . . . . . . . . . . . . 51947 9
5 2 0.814 . . . . . . . . . . . . . 51947 9
5 3 1.763 . . . . . . . . . . . . . 51947 9
6 1 14.160 . . . . . . . . . . . . . 51947 9
6 2 0.816 . . . . . . . . . . . . . 51947 9
6 3 1.403 . . . . . . . . . . . . . 51947 9
7 1 14.019 . . . . . . . . . . . . . 51947 9
7 2 0.816 . . . . . . . . . . . . . 51947 9
7 3 1.049 . . . . . . . . . . . . . 51947 9
8 1 14.175 . . . . . . . . . . . . . 51947 9
8 2 0.816 . . . . . . . . . . . . . 51947 9
8 3 0.815 . . . . . . . . . . . . . 51947 9
9 1 17.707 . . . . . . . . . . . . . 51947 9
9 2 0.826 . . . . . . . . . . . . . 51947 9
9 3 2.011 . . . . . . . . . . . . . 51947 9
10 1 17.911 . . . . . . . . . . . . . 51947 9
10 2 0.816 . . . . . . . . . . . . . 51947 9
10 3 3.922 . . . . . . . . . . . . . 51947 9
11 1 17.847 . . . . . . . . . . . . . 51947 9
11 2 0.786 . . . . . . . . . . . . . 51947 9
11 3 1.958 . . . . . . . . . . . . . 51947 9
12 1 35.306 . . . . . . . . . . . . . 51947 9
12 2 1.755 . . . . . . . . . . . . . 51947 9
12 3 1.762 . . . . . . . . . . . . . 51947 9
13 1 35.310 . . . . . . . . . . . . . 51947 9
13 2 1.754 . . . . . . . . . . . . . 51947 9
13 3 0.816 . . . . . . . . . . . . . 51947 9
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 . . . 9.540 . . . . . . 380 ILE CD1 . . . . . . . . . . . . 51947 9
1 2 . . . 0.756 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 9
1 3 . . . 0.750 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 9
2 1 . . . 9.616 . . . . . . 380 ILE CD1 . . . . . . . . . . . . 51947 9
2 2 . . . 0.743 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 9
2 3 . . . 1.049 . . . . . . 380 ILE HG13 . . . . . . . . . . . . 51947 9
3 1 . . . 9.590 . . . . . . 380 ILE CD1 . . . . . . . . . . . . 51947 9
3 2 . . . 0.743 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 9
3 3 . . . 1.402 . . . . . . 380 ILE HG12 . . . . . . . . . . . . 51947 9
4 1 . . . 9.565 . . . . . . 380 ILE CD1 . . . . . . . . . . . . 51947 9
4 2 . . . 0.742 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 9
4 3 . . . 1.759 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 9
5 1 . . . 14.099 . . . . . . 380 ILE CG2 . . . . . . . . . . . . 51947 9
5 2 . . . 0.814 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 9
5 3 . . . 1.763 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 9
6 1 . . . 14.160 . . . . . . 380 ILE CG2 . . . . . . . . . . . . 51947 9
6 2 . . . 0.816 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 9
6 3 . . . 1.403 . . . . . . 380 ILE HG12 . . . . . . . . . . . . 51947 9
7 1 . . . 14.019 . . . . . . 380 ILE CG2 . . . . . . . . . . . . 51947 9
7 2 . . . 0.816 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 9
7 3 . . . 1.049 . . . . . . 380 ILE HG13 . . . . . . . . . . . . 51947 9
8 1 . . . 14.175 . . . . . . 380 ILE CG2 . . . . . . . . . . . . 51947 9
8 2 . . . 0.816 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 9
8 3 . . . 0.815 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 9
9 1 . . . 17.707 . . . . . . 386 VAL CG1 . . . . . . . . . . . . 51947 9
9 2 . . . 0.826 . . . . . . 386 VAL HG1 . . . . . . . . . . . . 51947 9
9 3 . . . 2.011 . . . . . . 386 VAL HB . . . . . . . . . . . . 51947 9
10 1 . . . 17.911 . . . . . . 386 VAL CG1 . . . . . . . . . . . . 51947 9
10 2 . . . 0.816 . . . . . . 386 VAL HG1 . . . . . . . . . . . . 51947 9
10 3 . . . 3.922 . . . . . . 386 VAL HA . . . . . . . . . . . . 51947 9
11 1 . . . 17.847 . . . . . . 369 VAL CG1 . . . . . . . . . . . . 51947 9
11 2 . . . 0.786 . . . . . . 369 VAL HG1 . . . . . . . . . . . . 51947 9
11 3 . . . 1.958 . . . . . . 369 VAL HB . . . . . . . . . . . . 51947 9
12 1 . . . 35.306 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 9
12 2 . . . 1.755 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 9
12 3 . . . 1.762 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 9
13 1 . . . 35.310 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 9
13 2 . . . 1.754 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 9
13 3 . . . 0.816 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 9
stop_
loop_
_Peak_row_format.Index_ID
_Peak_row_format.ID
_Peak_row_format.Peak_ID
_Peak_row_format.Volume
_Peak_row_format.Volume_uncertainty
_Peak_row_format.Height
_Peak_row_format.Height_uncertainty
_Peak_row_format.Figure_of_merit
_Peak_row_format.Restraint
_Peak_row_format.Position_1
_Peak_row_format.Position_uncertainty_1
_Peak_row_format.Position_2
_Peak_row_format.Position_uncertainty_2
_Peak_row_format.Position_3
_Peak_row_format.Position_uncertainty_3
_Peak_row_format.Position_4
_Peak_row_format.Position_uncertainty_4
_Peak_row_format.Entity_assembly_ID_1
_Peak_row_format.Entity_ID_1
_Peak_row_format.Comp_index_ID_1
_Peak_row_format.Seq_ID_1
_Peak_row_format.Comp_ID_1
_Peak_row_format.Atom_ID_1
_Peak_row_format.Ambiguity_code_1
_Peak_row_format.Ambiguity_set_ID_1
_Peak_row_format.Entity_assembly_ID_2
_Peak_row_format.Entity_ID_2
_Peak_row_format.Comp_index_ID_2
_Peak_row_format.Seq_ID_2
_Peak_row_format.Comp_ID_2
_Peak_row_format.Atom_ID_2
_Peak_row_format.Ambiguity_code_2
_Peak_row_format.Ambiguity_set_ID_2
_Peak_row_format.Entity_assembly_ID_3
_Peak_row_format.Entity_ID_3
_Peak_row_format.Comp_index_ID_3
_Peak_row_format.Seq_ID_3
_Peak_row_format.Comp_ID_3
_Peak_row_format.Atom_ID_3
_Peak_row_format.Ambiguity_code_3
_Peak_row_format.Ambiguity_set_ID_3
_Peak_row_format.Entity_assembly_ID_4
_Peak_row_format.Entity_ID_4
_Peak_row_format.Comp_index_ID_4
_Peak_row_format.Seq_ID_4
_Peak_row_format.Comp_ID_4
_Peak_row_format.Atom_ID_4
_Peak_row_format.Ambiguity_code_4
_Peak_row_format.Ambiguity_set_ID_4
_Peak_row_format.Entry_ID
_Peak_row_format.Spectral_peak_list_ID
. 1 . . . 460148342784.000000 . . . 9.540 . 0.756 . 0.750 . . . . . 380 . ILE CD1 . . . . 380 . ILE HD1 . . . . 380 . ILE HD1 . . . . . . . . . . 51947 9
. 10 . . . 108627951616.000000 . . . 17.911 . 0.816 . 3.922 . . . . . 386 . VAL CG1 . . . . 386 . VAL HG1 . . . . 386 . VAL HA . . . . . . . . . . 51947 9
. 11 . . . 479173738496.000000 . . . 17.847 . 0.786 . 1.958 . . . . . 369 . VAL CG1 . . . . 369 . VAL HG1 . . . . 369 . VAL HB . . . . . . . . . . 51947 9
. 12 . . . 285983604736.000000 . . . 35.306 . 1.755 . 1.762 . . . . . 380 . ILE CB . . . . 380 . ILE HB . . . . 380 . ILE HB . . . . . . . . . . 51947 9
. 13 . . . 563333169152.000000 . . . 35.310 . 1.754 . 0.816 . . . . . 380 . ILE CB . . . . 380 . ILE HB . . . . 380 . ILE HG2 . . . . . . . . . . 51947 9
. 2 . . . 182461726720.000000 . . . 9.616 . 0.743 . 1.049 . . . . . 380 . ILE CD1 . . . . 380 . ILE HD1 . . . . 380 . ILE HG13 . . . . . . . . . . 51947 9
. 3 . . . 214153822208.000000 . . . 9.590 . 0.743 . 1.402 . . . . . 380 . ILE CD1 . . . . 380 . ILE HD1 . . . . 380 . ILE HG12 . . . . . . . . . . 51947 9
. 4 . . . 290253078528.000000 . . . 9.565 . 0.742 . 1.759 . . . . . 380 . ILE CD1 . . . . 380 . ILE HD1 . . . . 380 . ILE HB . . . . . . . . . . 51947 9
. 5 . . . 314023149568.000000 . . . 14.099 . 0.814 . 1.763 . . . . . 380 . ILE CG2 . . . . 380 . ILE HG2 . . . . 380 . ILE HB . . . . . . . . . . 51947 9
. 6 . . . 91802656768.000000 . . . 14.160 . 0.816 . 1.403 . . . . . 380 . ILE CG2 . . . . 380 . ILE HG2 . . . . 380 . ILE HG12 . . . . . . . . . . 51947 9
. 7 . . . 75509719040.000000 . . . 14.019 . 0.816 . 1.049 . . . . . 380 . ILE CG2 . . . . 380 . ILE HG2 . . . . 380 . ILE HG13 . . . . . . . . . . 51947 9
. 8 . . . 1215108743168.000000 . . . 14.175 . 0.816 . 0.815 . . . . . 380 . ILE CG2 . . . . 380 . ILE HG2 . . . . 380 . ILE HG2 . . . . . . . . . . 51947 9
. 9 . . . 465854464000.000000 . . . 17.707 . 0.826 . 2.011 . . . . . 386 . VAL CG1 . . . . 386 . VAL HG1 . . . . 386 . VAL HB . . . . . . . . . . 51947 9
stop_
save_