Content for NMR-STAR saveframe, "peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16_17"
save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16_17
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16_17
_Spectral_peak_list.Entry_ID 25839
_Spectral_peak_list.ID 17
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $CN1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $298K
_Spectral_peak_list.Experiment_ID 20
_Spectral_peak_list.Experiment_name 'HBCBCGHE (hbCBcgcdceHE)'
_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 . . 10000.00 Hz . . . . . . 25839 17
2 . . C 13 13C . . 5999.86 Hz . . . . . . 25839 17
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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 . . 25839 17
2 1.0 . . 25839 17
3 1.0 . . 25839 17
4 1.0 . . 25839 17
5 1.0 . . 25839 17
6 1.0 . . 25839 17
7 1.0 . . 25839 17
8 1.0 . . 25839 17
9 1.0 . . 25839 17
10 1.0 . . 25839 17
11 1.0 . . 25839 17
12 1.0 . . 25839 17
13 1.0 . . 25839 17
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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 2508444.50000 . height 25839 17
1 17258671.50000 . volume 25839 17
2 827881.93750 . height 25839 17
2 5766100.56250 . volume 25839 17
3 2546176.50000 . height 25839 17
3 17530824.62500 . volume 25839 17
4 3053548.00000 . height 25839 17
4 20444478.87500 . volume 25839 17
5 4036871.50000 . height 25839 17
5 27877341.00000 . volume 25839 17
6 2597414.25000 . height 25839 17
6 18077335.00000 . volume 25839 17
7 2323318.50000 . height 25839 17
7 15325122.87500 . volume 25839 17
8 1162259.25000 . height 25839 17
8 8294737.31250 . volume 25839 17
9 2431468.25000 . height 25839 17
9 18212855.87500 . volume 25839 17
10 1859728.12500 . height 25839 17
10 12564947.31250 . volume 25839 17
11 1385443.75000 . height 25839 17
11 5872920.93750 . volume 25839 17
12 8022381.50000 . height 25839 17
12 49917627.25000 . volume 25839 17
13 717421.62500 . height 25839 17
13 4811453.90625 . volume 25839 17
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_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
3 1 6.642 . 38.1919741631 . . . . . . . . . . 1 25839 17
3 2 43.109 . 120.0852387740 . . . . . . . . . . 1 25839 17
4 1 6.643 . 37.0082259178 . . . . . . . . . . 1 25839 17
4 2 40.484 . 118.8984783840 . . . . . . . . . . 1 25839 17
5 1 6.838 . 28.1867384911 . . . . . . . . . . 1 25839 17
5 2 37.310 . 271.3820791260 . . . . . . . . . . 1 25839 17
6 1 7.006 . 54.0143251419 . . . . . . . . . . 1 25839 17
6 2 41.743 . 130.6178489950 . . . . . . . . . . 1 25839 17
7 1 6.520 . 36.1007452011 . . . . . . . . . . 1 25839 17
7 2 38.041 . 117.7033139350 . . . . . . . . . . 1 25839 17
8 1 7.144 . 63.6911392212 . . . . . . . . . . 1 25839 17
8 2 38.532 . 140.3663784100 . . . . . . . . . . 1 25839 17
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_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
3 1 1 . . 6.642 . . 1 . 1 1 99 TYR QE . . . . . . . . . . 1546 . 25839 17
3 2 1 . . 43.109 . . 1 . 1 1 99 TYR CB . . . . . . . . . . 427 . 25839 17
4 1 1 . . 6.643 . . 1 . 1 1 115 TYR QE . . . . . . . . . . 1550 . 25839 17
4 2 1 . . 40.484 . . 1 . 1 1 115 TYR CB . . . . . . . . . . 372 . 25839 17
5 1 1 . . 6.838 . . 1 . 1 1 121 TYR QE . . . . . . . . . . 1585 . 25839 17
5 2 1 . . 37.310 . . 1 . 1 1 121 TYR CB . . . . . . . . . . 409 . 25839 17
6 1 2 . . 7.006 . . 1 . 1 1 6 PHE QE . . . . . . . . . . 1560 . 25839 17
6 2 1 . . 41.743 . . 1 . 1 1 6 PHE CB . . . . . . . . . . 484 . 25839 17
7 1 1 . . 6.520 . . 1 . 1 1 139 TYR QE . . . . . . . . . . 1556 . 25839 17
7 2 1 . . 38.041 . . 1 . 1 1 139 TYR CB . . . . . . . . . . 344 . 25839 17
8 1 1 . . 7.144 . . 1 . 1 1 125 PHE QE . . . . . . . . . . 1562 . 25839 17
8 2 1 . . 38.532 . . 1 . 1 1 125 PHE CB . . . . . . . . . . 551 . 25839 17
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save_