Content for NMR-STAR saveframe, spectral_peak_list_8
save_spectral_peak_list_8
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_8
_Spectral_peak_list.Entry_ID 51947
_Spectral_peak_list.ID 8
_Spectral_peak_list.Name 'peak list 8 hcch-cosy 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 7
_Spectral_peak_list.Experiment_name '3D HCCH-COSY'
_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 8
2 . . H 1 H* . 'not observed' 3000 Hz . . . . . . 51947 8
3 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 8
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 8
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 157827137536.000000 . height 51947 8
2 42286551040.000000 . height 51947 8
3 58622877696.000000 . height 51947 8
4 1926934036480.000000 . height 51947 8
5 134734462976.000000 . height 51947 8
6 2371886252032.000000 . height 51947 8
7 1036930121728.000000 . height 51947 8
8 250749173760.000000 . height 51947 8
9 161823899648.000000 . height 51947 8
10 75556306944.000000 . height 51947 8
11 84642291712.000000 . height 51947 8
12 236665913344.000000 . height 51947 8
13 315798519808.000000 . height 51947 8
14 49964101632.000000 . height 51947 8
15 52261322752.000000 . height 51947 8
16 104122752.000000 . height 51947 8
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 42.375 . . . . . . . . . . . . . 51947 8
1 2 3.999 . . . . . . . . . . . . . 51947 8
1 3 3.966 . . . . . . . . . . . . . 51947 8
2 1 9.492 . . . . . . . . . . . . . 51947 8
2 2 0.737 . . . . . . . . . . . . . 51947 8
2 3 1.052 . . . . . . . . . . . . . 51947 8
3 1 9.497 . . . . . . . . . . . . . 51947 8
3 2 0.738 . . . . . . . . . . . . . 51947 8
3 3 1.400 . . . . . . . . . . . . . 51947 8
4 1 14.186 . . . . . . . . . . . . . 51947 8
4 2 0.812 . . . . . . . . . . . . . 51947 8
4 3 0.819 . . . . . . . . . . . . . 51947 8
5 1 13.976 . . . . . . . . . . . . . 51947 8
5 2 0.813 . . . . . . . . . . . . . 51947 8
5 3 1.766 . . . . . . . . . . . . . 51947 8
6 1 16.330 . . . . . . . . . . . . . 51947 8
6 2 1.281 . . . . . . . . . . . . . 51947 8
6 3 1.290 . . . . . . . . . . . . . 51947 8
7 1 18.220 . . . . . . . . . . . . . 51947 8
7 2 0.976 . . . . . . . . . . . . . 51947 8
7 3 0.985 . . . . . . . . . . . . . 51947 8
8 1 17.794 . . . . . . . . . . . . . 51947 8
8 2 0.825 . . . . . . . . . . . . . 51947 8
8 3 2.015 . . . . . . . . . . . . . 51947 8
9 1 66.664 . . . . . . . . . . . . . 51947 8
9 2 4.146 . . . . . . . . . . . . . 51947 8
9 3 1.086 . . . . . . . . . . . . . 51947 8
10 1 66.938 . . . . . . . . . . . . . 51947 8
10 2 4.017 . . . . . . . . . . . . . 51947 8
10 3 0.986 . . . . . . . . . . . . . 51947 8
11 1 66.664 . . . . . . . . . . . . . 51947 8
11 2 4.123 . . . . . . . . . . . . . 51947 8
11 3 1.070 . . . . . . . . . . . . . 51947 8
12 1 35.284 . . . . . . . . . . . . . 51947 8
12 2 1.758 . . . . . . . . . . . . . 51947 8
12 3 1.766 . . . . . . . . . . . . . 51947 8
13 1 35.284 . . . . . . . . . . . . . 51947 8
13 2 1.759 . . . . . . . . . . . . . 51947 8
13 3 0.821 . . . . . . . . . . . . . 51947 8
14 1 35.282 . . . . . . . . . . . . . 51947 8
14 2 1.754 . . . . . . . . . . . . . 51947 8
14 3 1.059 . . . . . . . . . . . . . 51947 8
15 1 35.277 . . . . . . . . . . . . . 51947 8
15 2 1.753 . . . . . . . . . . . . . 51947 8
15 3 1.402 . . . . . . . . . . . . . 51947 8
16 1 18.436 . . . . . . . . . . . . . 51947 8
16 2 1.072 . . . . . . . . . . . . . 51947 8
16 3 4.124 . . . . . . . . . . . . . 51947 8
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 . . . 42.375 . . . . . . 366 GLY CA . . . . . . . . . . . . 51947 8
1 2 . . . 3.999 . . . . . . 366 GLY HA2 . . . . . . . . . . . . 51947 8
1 3 . . . 3.966 . . . . . . 366 GLY HA2 . . . . . . . . . . . . 51947 8
2 1 . . . 9.492 . . . . . . 380 ILE CD1 . . . . . . . . . . . . 51947 8
2 2 . . . 0.737 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 8
2 3 . . . 1.052 . . . . . . 380 ILE HG13 . . . . . . . . . . . . 51947 8
3 1 . . . 9.497 . . . . . . 380 ILE CD1 . . . . . . . . . . . . 51947 8
3 2 . . . 0.738 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 8
3 3 . . . 1.400 . . . . . . 380 ILE HG12 . . . . . . . . . . . . 51947 8
4 1 . . . 14.186 . . . . . . 380 ILE CG2 . . . . . . . . . . . . 51947 8
4 2 . . . 0.812 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 8
4 3 . . . 0.819 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 8
5 1 . . . 13.976 . . . . . . 380 ILE CG2 . . . . . . . . . . . . 51947 8
5 2 . . . 0.813 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 8
5 3 . . . 1.766 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 8
6 1 . . . 16.330 . . . . . . 389 ALA CB . . . . . . . . . . . . 51947 8
6 2 . . . 1.281 . . . . . . 389 ALA HB . . . . . . . . . . . . 51947 8
6 3 . . . 1.290 . . . . . . 389 ALA HB . . . . . . . . . . . . 51947 8
7 1 . . . 18.220 . . . . . . 398 THR CG2 . . . . . . . . . . . . 51947 8
7 2 . . . 0.976 . . . . . . 398 THR HG2 . . . . . . . . . . . . 51947 8
7 3 . . . 0.985 . . . . . . 398 THR HG2 . . . . . . . . . . . . 51947 8
8 1 . . . 17.794 . . . . . . 386 VAL CG1 . . . . . . . . . . . . 51947 8
8 2 . . . 0.825 . . . . . . 386 VAL HG1 . . . . . . . . . . . . 51947 8
8 3 . . . 2.015 . . . . . . 386 VAL HB . . . . . . . . . . . . 51947 8
9 1 . . . 66.664 . . . . . . 367 THR CB . . . . . . . . . . . . 51947 8
9 2 . . . 4.146 . . . . . . 367 THR HB . . . . . . . . . . . . 51947 8
9 3 . . . 1.086 . . . . . . 367 THR HG2 . . . . . . . . . . . . 51947 8
10 1 . . . 66.938 . . . . . . 398 THR CB . . . . . . . . . . . . 51947 8
10 2 . . . 4.017 . . . . . . 398 THR HB . . . . . . . . . . . . 51947 8
10 3 . . . 0.986 . . . . . . 398 THR HG2 . . . . . . . . . . . . 51947 8
11 1 . . . 66.664 . . . . . . 373 THR CB . . . . . . . . . . . . 51947 8
11 2 . . . 4.123 . . . . . . 373 THR HB . . . . . . . . . . . . 51947 8
11 3 . . . 1.070 . . . . . . 373 THR HG2 . . . . . . . . . . . . 51947 8
12 1 . . . 35.284 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 8
12 2 . . . 1.758 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 8
12 3 . . . 1.766 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 8
13 1 . . . 35.284 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 8
13 2 . . . 1.759 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 8
13 3 . . . 0.821 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 8
14 1 . . . 35.282 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 8
14 2 . . . 1.754 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 8
14 3 . . . 1.059 . . . . . . 380 ILE HG13 . . . . . . . . . . . . 51947 8
15 1 . . . 35.277 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 8
15 2 . . . 1.753 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 8
15 3 . . . 1.402 . . . . . . 380 ILE HG12 . . . . . . . . . . . . 51947 8
16 1 . . . 18.436 . . . . . . 373 THR CG2 . . . . . . . . . . . . 51947 8
16 2 . . . 1.072 . . . . . . 373 THR HG2 . . . . . . . . . . . . 51947 8
16 3 . . . 4.124 . . . . . . 373 THR HB . . . . . . . . . . . . 51947 8
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 . . . 157827137536.000000 . . . 42.375 . 3.999 . 3.966 . . . . . 366 . GLY CA . . . . 366 . GLY HA2 . . . . 366 . GLY HA2 . . . . . . . . . . 51947 8
. 10 . . . 75556306944.000000 . . . 66.938 . 4.017 . 0.986 . . . . . 398 . THR CB . . . . 398 . THR HB . . . . 398 . THR HG2 . . . . . . . . . . 51947 8
. 11 . . . 84642291712.000000 . . . 66.664 . 4.123 . 1.070 . . . . . 373 . THR CB . . . . 373 . THR HB . . . . 373 . THR HG2 . . . . . . . . . . 51947 8
. 12 . . . 236665913344.000000 . . . 35.284 . 1.758 . 1.766 . . . . . 380 . ILE CB . . . . 380 . ILE HB . . . . 380 . ILE HB . . . . . . . . . . 51947 8
. 13 . . . 315798519808.000000 . . . 35.284 . 1.759 . 0.821 . . . . . 380 . ILE CB . . . . 380 . ILE HB . . . . 380 . ILE HG2 . . . . . . . . . . 51947 8
. 14 . . . 49964101632.000000 . . . 35.282 . 1.754 . 1.059 . . . . . 380 . ILE CB . . . . 380 . ILE HB . . . . 380 . ILE HG13 . . . . . . . . . . 51947 8
. 15 . . . 52261322752.000000 . . . 35.277 . 1.753 . 1.402 . . . . . 380 . ILE CB . . . . 380 . ILE HB . . . . 380 . ILE HG12 . . . . . . . . . . 51947 8
. 16 . . . 104122752.000000 . . . 18.436 . 1.072 . 4.124 . . . . . 373 . THR CG2 . . . . 373 . THR HG2 . . . . 373 . THR HB . . . . . . . . . . 51947 8
. 2 . . . 42286551040.000000 . . . 9.492 . 0.737 . 1.052 . . . . . 380 . ILE CD1 . . . . 380 . ILE HD1 . . . . 380 . ILE HG13 . . . . . . . . . . 51947 8
. 3 . . . 58622877696.000000 . . . 9.497 . 0.738 . 1.400 . . . . . 380 . ILE CD1 . . . . 380 . ILE HD1 . . . . 380 . ILE HG12 . . . . . . . . . . 51947 8
. 4 . . . 1926934036480.000000 . . . 14.186 . 0.812 . 0.819 . . . . . 380 . ILE CG2 . . . . 380 . ILE HG2 . . . . 380 . ILE HG2 . . . . . . . . . . 51947 8
. 5 . . . 134734462976.000000 . . . 13.976 . 0.813 . 1.766 . . . . . 380 . ILE CG2 . . . . 380 . ILE HG2 . . . . 380 . ILE HB . . . . . . . . . . 51947 8
. 6 . . . 2371886252032.000000 . . . 16.330 . 1.281 . 1.290 . . . . . 389 . ALA CB . . . . 389 . ALA HB . . . . 389 . ALA HB . . . . . . . . . . 51947 8
. 7 . . . 1036930121728.000000 . . . 18.220 . 0.976 . 0.985 . . . . . 398 . THR CG2 . . . . 398 . THR HG2 . . . . 398 . THR HG2 . . . . . . . . . . 51947 8
. 8 . . . 250749173760.000000 . . . 17.794 . 0.825 . 2.015 . . . . . 386 . VAL CG1 . . . . 386 . VAL HG1 . . . . 386 . VAL HB . . . . . . . . . . 51947 8
. 9 . . . 161823899648.000000 . . . 66.664 . 4.146 . 1.086 . . . . . 367 . THR CB . . . . 367 . THR HB . . . . 367 . THR HG2 . . . . . . . . . . 51947 8
stop_
save_