Content for NMR-STAR saveframe, spectral_peak_list_5
save_spectral_peak_list_5
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_5
_Spectral_peak_list.Entry_ID 52640
_Spectral_peak_list.ID 5
_Spectral_peak_list.Name 'peak list 5 HNH'
_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 5
_Spectral_peak_list.Experiment_name '3D H(CCO)NH'
_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 . . H 1 H* . 'not observed' 6 ppm . . . . . . 52640 5
2 . . N 15 N* . folded 36 ppm . . . . . . 52640 5
3 . . H 1 H* . 'not observed' 15 ppm . . . . . . 52640 5
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
1 $software_1 . . 52640 5
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 3135214977024.000000 . height 52640 5
2 4637255008256.000000 . height 52640 5
3 8031240716288.000000 . height 52640 5
4 558155300864.000000 . height 52640 5
5 753078894592.000000 . height 52640 5
6 282945781760.000000 . height 52640 5
7 285243801600.000000 . height 52640 5
8 94488920064.000000 . height 52640 5
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 4.485 . . . . . . . . . . . . . 52640 5
1 2 120.523 . . . . . . . . . . . . . 52640 5
1 3 7.685 . . . . . . . . . . . . . 52640 5
2 1 4.362 . . . . . . . . . . . . . 52640 5
2 2 120.526 . . . . . . . . . . . . . 52640 5
2 3 7.685 . . . . . . . . . . . . . 52640 5
3 1 1.195 . . . . . . . . . . . . . 52640 5
3 2 120.501 . . . . . . . . . . . . . 52640 5
3 3 7.685 . . . . . . . . . . . . . 52640 5
4 1 4.392 . . . . . . . . . . . . . 52640 5
4 2 113.763 . . . . . . . . . . . . . 52640 5
4 3 8.038 . . . . . . . . . . . . . 52640 5
5 1 1.152 . . . . . . . . . . . . . 52640 5
5 2 113.792 . . . . . . . . . . . . . 52640 5
5 3 8.032 . . . . . . . . . . . . . 52640 5
6 1 4.354 . . . . . . . . . . . . . 52640 5
6 2 116.841 . . . . . . . . . . . . . 52640 5
6 3 8.302 . . . . . . . . . . . . . 52640 5
7 1 4.331 . . . . . . . . . . . . . 52640 5
7 2 113.774 . . . . . . . . . . . . . 52640 5
7 3 8.037 . . . . . . . . . . . . . 52640 5
8 1 1.354 . . . . . . . . . . . . . 52640 5
8 2 120.671 . . . . . . . . . . . . . 52640 5
8 3 8.064 . . . . . . . . . . . . . 52640 5
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 . . . 4.485 . . . . . . 499 THR HA . . . . . . . . . . . . 52640 5
1 2 . . . 120.523 . . . . . . 500 THR N . . . . . . . . . . . . 52640 5
1 3 . . . 7.685 . . . . . . 500 THR H . . . . . . . . . . . . 52640 5
2 1 . . . 4.362 . . . . . . 499 THR HB . . . . . . . . . . . . 52640 5
2 2 . . . 120.526 . . . . . . 500 THR N . . . . . . . . . . . . 52640 5
2 3 . . . 7.685 . . . . . . 500 THR H . . . . . . . . . . . . 52640 5
3 1 . . . 1.195 . . . . . . 499 THR QG2 . . . . . . . . . . . . 52640 5
3 2 . . . 120.501 . . . . . . 500 THR N . . . . . . . . . . . . 52640 5
3 3 . . . 7.685 . . . . . . 500 THR H . . . . . . . . . . . . 52640 5
4 1 . . . 4.392 . . . . . . 498 THR HA . . . . . . . . . . . . 52640 5
4 2 . . . 113.763 . . . . . . 499 THR N . . . . . . . . . . . . 52640 5
4 3 . . . 8.038 . . . . . . 499 THR H . . . . . . . . . . . . 52640 5
5 1 . . . 1.152 . . . . . . 498 THR QG2 . . . . . . . . . . . . 52640 5
5 2 . . . 113.792 . . . . . . 499 THR N . . . . . . . . . . . . 52640 5
5 3 . . . 8.032 . . . . . . 499 THR H . . . . . . . . . . . . 52640 5
6 1 . . . 4.354 . . . . . . 496 GLN HA . . . . . . . . . . . . 52640 5
6 2 . . . 116.841 . . . . . . 497 ASN N . . . . . . . . . . . . 52640 5
6 3 . . . 8.302 . . . . . . 497 ASN H . . . . . . . . . . . . 52640 5
7 1 . . . 4.331 . . . . . . 498 THR HB . . . . . . . . . . . . 52640 5
7 2 . . . 113.774 . . . . . . 499 THR N . . . . . . . . . . . . 52640 5
7 3 . . . 8.037 . . . . . . 499 THR H . . . . . . . . . . . . 52640 5
8 1 . . . 1.354 . . . . . . 493 ILE HB . . . . . . . . . . . . 52640 5
8 2 . . . 120.671 . . . . . . 494 THR N . . . . . . . . . . . . 52640 5
8 3 . . . 8.064 . . . . . . 494 THR H . . . . . . . . . . . . 52640 5
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 . . . 3135214977024.000000 . . . 4.485 . 120.523 . 7.685 . . . . . 499 . THR HA . . . . 500 . THR N . . . . 500 . THR H . . . . . . . . . . 52640 5
. 2 . . . 4637255008256.000000 . . . 4.362 . 120.526 . 7.685 . . . . . 499 . THR HB . . . . 500 . THR N . . . . 500 . THR H . . . . . . . . . . 52640 5
. 3 . . . 8031240716288.000000 . . . 1.195 . 120.501 . 7.685 . . . . . 499 . THR QG2 . . . . 500 . THR N . . . . 500 . THR H . . . . . . . . . . 52640 5
. 4 . . . 558155300864.000000 . . . 4.392 . 113.763 . 8.038 . . . . . 498 . THR HA . . . . 499 . THR N . . . . 499 . THR H . . . . . . . . . . 52640 5
. 5 . . . 753078894592.000000 . . . 1.152 . 113.792 . 8.032 . . . . . 498 . THR QG2 . . . . 499 . THR N . . . . 499 . THR H . . . . . . . . . . 52640 5
. 6 . . . 282945781760.000000 . . . 4.354 . 116.841 . 8.302 . . . . . 496 . GLN HA . . . . 497 . ASN N . . . . 497 . ASN H . . . . . . . . . . 52640 5
. 7 . . . 285243801600.000000 . . . 4.331 . 113.774 . 8.037 . . . . . 498 . THR HB . . . . 499 . THR N . . . . 499 . THR H . . . . . . . . . . 52640 5
. 8 . . . 94488920064.000000 . . . 1.354 . 120.671 . 8.064 . . . . . 493 . ILE HB . . . . 494 . THR N . . . . 494 . THR H . . . . . . . . . . 52640 5
stop_
save_