Content for NMR-STAR saveframe, "peak_list_1_2_3_4"
save_peak_list_1_2_3_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_1_2_3_4
_Spectral_peak_list.Entry_ID 26003
_Spectral_peak_list.ID 4
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $15N-13C
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $Standard
_Spectral_peak_list.Experiment_ID 4
_Spectral_peak_list.Experiment_name '2D 1H-13C HSQC/HMQC'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details 'Default list'
_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 1H . . 1427.28365385 . . . . . . . 26003 4
2 . . C 13 13C . . 4525.86202205 . . . . . . . 26003 4
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_Peak.ID
_Peak.Figure_of_merit
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . 26003 4
2 1.0 . . 26003 4
3 1.0 . . 26003 4
4 1.0 . . 26003 4
5 1.0 . . 26003 4
6 1.0 . . 26003 4
7 1.0 . . 26003 4
8 1.0 . . 26003 4
9 1.0 . . 26003 4
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_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 -120558.2031250 . height 26003 4
1 -428112.8847660 . volume 26003 4
2 -60488.9375000 . height 26003 4
2 -146088.3339840 . volume 26003 4
3 401114.4375000 . height 26003 4
3 1832272.3203100 . volume 26003 4
4 184584.6250000 . height 26003 4
4 1033852.2304700 . volume 26003 4
5 158452.4843750 . height 26003 4
5 775583.9921880 . volume 26003 4
6 415398.0000000 . height 26003 4
6 2268843.3750000 . volume 26003 4
7 79302.0312500 . height 26003 4
7 551479.8476560 . volume 26003 4
8 86499.7421875 . height 26003 4
8 472194.6875000 . volume 26003 4
9 44873.3906250 . height 26003 4
9 260660.3828120 . volume 26003 4
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 7.284 . 16.0829379008 . . . . . . . . . . 1 26003 4
1 2 119.450 . 22.1604414813 . . . . . . . . . . 1 26003 4
2 1 7.101 . 13.8203971661 . . . . . . . . . . 1 26003 4
2 2 118.592 . 23.6697620988 . . . . . . . . . . 1 26003 4
3 1 6.734 . 15.8647218576 . . . . . . . . . . 1 26003 4
3 2 118.040 . 27.4771885860 . . . . . . . . . . 1 26003 4
4 1 7.043 . 19.9586726152 . . . . . . . . . . 1 26003 4
4 2 132.667 . 35.5604839646 . . . . . . . . . . 1 26003 4
5 1 6.947 . 18.1451010016 . . . . . . . . . . 1 26003 4
5 2 132.758 . 32.2978426405 . . . . . . . . . . 1 26003 4
6 1 8.543 . 15.0589487300 . . . . . . . . . . 1 26003 4
6 2 136.169 . 39.2987163967 . . . . . . . . . . 1 26003 4
7 1 7.888 . 30.2710283834 . . . . . . . . . . 1 26003 4
7 2 139.787 . 49.8754256212 . . . . . . . . . . 1 26003 4
8 1 7.216 . 19.4908621219 . . . . . . . . . . 1 26003 4
8 2 130.610 . 35.9310026185 . . . . . . . . . . 1 26003 4
9 1 7.174 . 18.8118563249 . . . . . . . . . . 1 26003 4
9 2 129.351 . 39.5783251223 . . . . . . . . . . 1 26003 4
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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 1 . . 7.284 . . 2 . 1 1 23 HIS HD2 . . . . . . . . . . 276 . 26003 4
1 2 1 . . 119.450 . . 2 . 1 1 23 HIS CD2 . . . . . . . . . . 215 . 26003 4
2 1 1 . . 7.101 . . 2 . 1 1 18 HIS HD2 . . . . . . . . . . 218 . 26003 4
2 2 1 . . 118.592 . . 2 . 1 1 18 HIS CD2 . . . . . . . . . . 219 . 26003 4
3 1 1 . . 6.734 . . 2 . 1 1 33 TYR QE . . . . . . . . . . 299 . 26003 4
3 2 1 . . 118.040 . . 2 . 1 1 33 TYR CE1 . . . . . . . . . . 221 . 26003 4
4 1 1 . . 7.043 . . 2 . 1 1 30 PHE QD . . . . . . . . . . 308 . 26003 4
4 2 1 . . 132.667 . . 2 . 1 1 30 PHE CD2 . . . . . . . . . . 225 . 26003 4
5 1 1 . . 6.947 . . 2 . 1 1 33 TYR QD . . . . . . . . . . 298 . 26003 4
5 2 1 . . 132.758 . . 2 . 1 1 33 TYR CD1 . . . . . . . . . . 222 . 26003 4
6 1 1 . . 8.543 . . 2 . 1 1 23 HIS HE1 . . . . . . . . . . 275 . 26003 4
6 2 1 . . 136.169 . . 2 . 1 1 23 HIS CE1 . . . . . . . . . . 214 . 26003 4
7 1 1 . . 7.888 . . 2 . 1 1 18 HIS HE1 . . . . . . . . . . 216 . 26003 4
7 2 1 . . 139.787 . . 2 . 1 1 18 HIS CE1 . . . . . . . . . . 217 . 26003 4
8 1 1 . . 7.216 . . 2 . 1 1 30 PHE QE . . . . . . . . . . 307 . 26003 4
8 2 1 . . 130.610 . . 2 . 1 1 30 PHE CE2 . . . . . . . . . . 224 . 26003 4
9 1 1 . . 7.174 . . 2 . 1 1 30 PHE HZ . . . . . . . . . . 309 . 26003 4
9 2 1 . . 129.351 . . 2 . 1 1 30 PHE CZ . . . . . . . . . . 223 . 26003 4
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save_