Content for NMR-STAR saveframe, "spectral_peak_list_1"
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 27261
_Spectral_peak_list.ID 1
_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.Experiment_ID 1
_Spectral_peak_list.Experiment_name '2D 1H-13C 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 .
_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 HD . . 10683.761 Hz . . . . . . 27261 1
2 . . C 13 CD . . 4424.779 Hz . . . . . . 27261 1
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
0 0.6723 0.0 height 27261 1
0 0.0 0.0 volume 27261 1
1 1.1036 0.0 height 27261 1
1 0.0 0.0 volume 27261 1
2 1.4378 0.0 height 27261 1
2 0.0 0.0 volume 27261 1
3 0.9812 0.0 height 27261 1
3 0.0 0.0 volume 27261 1
4 0.6868 0.0 height 27261 1
4 0.0 0.0 volume 27261 1
5 0.7505 0.0 height 27261 1
5 0.0 0.0 volume 27261 1
6 1.795 0.0 height 27261 1
6 0.0 0.0 volume 27261 1
7 0.4957 0.0 height 27261 1
7 0.0 0.0 volume 27261 1
8 1.4627 0.0 height 27261 1
8 0.0 0.0 volume 27261 1
9 1.0389 0.0 height 27261 1
9 0.0 0.0 volume 27261 1
10 6.1098 0.0 height 27261 1
10 0.0 0.0 volume 27261 1
11 0.9686 0.0 height 27261 1
11 0.0 0.0 volume 27261 1
12 1.5478 0.0 height 27261 1
12 0.0 0.0 volume 27261 1
13 1.0375 0.0 height 27261 1
13 0.0 0.0 volume 27261 1
14 0.9234 0.0 height 27261 1
14 0.0 0.0 volume 27261 1
15 6.1098 0.0 height 27261 1
15 0.0 0.0 volume 27261 1
16 6.1098 0.0 height 27261 1
16 0.0 0.0 volume 27261 1
17 1.795 0.0 height 27261 1
17 0.0 0.0 volume 27261 1
18 6.1098 0.0 height 27261 1
18 0.0 0.0 volume 27261 1
19 1.4378 0.0 height 27261 1
19 0.0 0.0 volume 27261 1
20 1.1036 0.0 height 27261 1
20 0.0 0.0 volume 27261 1
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
0 1 0.81683 . 24.053532 . . . . . . . . . . 0 27261 1
0 2 15.61815 . 87.531136 . . . . . . . . . . 0 27261 1
1 1 1.02327 . 33.239643 . . . . . . . . . . 0 27261 1
1 2 14.5251 . 109.21471 . . . . . . . . . . 0 27261 1
2 1 0.86451 . 49.595406 . . . . . . . . . . 0 27261 1
2 2 14.17354 . 47.987183 . . . . . . . . . . 0 27261 1
3 1 0.68143 . 18.78032 . . . . . . . . . . 0 27261 1
3 2 14.33352 . 127.92826 . . . . . . . . . . 0 27261 1
4 1 0.59095 . 22.22111 . . . . . . . . . . 0 27261 1
4 2 14.12097 . 109.69562 . . . . . . . . . . 0 27261 1
5 1 0.5142 . 20.852797 . . . . . . . . . . 0 27261 1
5 2 14.10568 . 119.617836 . . . . . . . . . . 0 27261 1
6 1 0.77296 . 54.43652 . . . . . . . . . . 0 27261 1
6 2 13.89624 . 178.7426 . . . . . . . . . . 0 27261 1
7 1 0.3882 . 27.590347 . . . . . . . . . . 0 27261 1
7 2 13.85063 . 115.062195 . . . . . . . . . . 0 27261 1
8 1 0.92282 . 22.381147 . . . . . . . . . . 0 27261 1
8 2 13.62203 . 145.39626 . . . . . . . . . . 0 27261 1
9 1 0.68178 . 36.61642 . . . . . . . . . . 0 27261 1
9 2 13.68224 . 169.38582 . . . . . . . . . . 0 27261 1
10 1 0.81965923 . 35.52817 . . . . . . . . . . 0 27261 1
10 2 12.699996 . 116.64781 . . . . . . . . . . 0 27261 1
11 1 1.12301 . 27.91042 . . . . . . . . . . 0 27261 1
11 2 12.60821 . 73.16395 . . . . . . . . . . 0 27261 1
12 1 0.66948 . 31.063143 . . . . . . . . . . 0 27261 1
12 2 12.51665 . 115.977745 . . . . . . . . . . 0 27261 1
13 1 0.49347 . 26.358063 . . . . . . . . . . 0 27261 1
13 2 12.12016 . 73.95274 . . . . . . . . . . 0 27261 1
14 1 0.72041 . 30.743069 . . . . . . . . . . 0 27261 1
14 2 10.18539 . 108.96116 . . . . . . . . . . 0 27261 1
15 1 0.86993 . 35.52817 . . . . . . . . . . 0 27261 1
15 2 13.03099 . 116.64781 . . . . . . . . . . 0 27261 1
16 1 0.77114 . 35.52817 . . . . . . . . . . 0 27261 1
16 2 12.77503 . 116.64781 . . . . . . . . . . 0 27261 1
17 1 0.79575 . 54.43652 . . . . . . . . . . 0 27261 1
17 2 14.2034 . 64.060715 . . . . . . . . . . 0 27261 1
18 1 0.83827 . 35.52817 . . . . . . . . . . 0 27261 1
18 2 13.39958 . 116.64781 . . . . . . . . . . 0 27261 1
19 1 0.87988 . 49.595406 . . . . . . . . . . 0 27261 1
19 2 14.38295 . 47.987183 . . . . . . . . . . 0 27261 1
20 1 1.03465 . 33.239643 . . . . . . . . . . 0 27261 1
20 2 14.40783 . 109.21471 . . . . . . . . . . 0 27261 1
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
0 1 . . . 0.81683 . . . . . . . . . . . . . . . . . . . 0 . 27261 1
0 2 . . . 15.61815 . . . . . . . . . . . . . . . . . . . 1 . 27261 1
1 1 . . . 1.02327 . . . . . . . . . . . . . . . . . . . 2 . 27261 1
1 2 . . . 14.5251 . . . . . . . . . . . . . . . . . . . 3 . 27261 1
2 1 . . . 0.86451 . . . . . . . . . . . . . . . . . . . 4 . 27261 1
2 2 . . . 14.17354 . . . . . . . . . . . . . . . . . . . 5 . 27261 1
3 1 . . . 0.68143 . . . . . . . . . . . . . . . . . . . 6 . 27261 1
3 2 . . . 14.33352 . . . . . . . . . . . . . . . . . . . 7 . 27261 1
4 1 . . . 0.59095 . . . . . . . . . . . . . . . . . . . 8 . 27261 1
4 2 . . . 14.12097 . . . . . . . . . . . . . . . . . . . 9 . 27261 1
5 1 . . . 0.5142 . . . . . . . . . . . . . . . . . . . 10 . 27261 1
5 2 . . . 14.10568 . . . . . . . . . . . . . . . . . . . 11 . 27261 1
6 1 . . . 0.77296 . . . . . . . . . . . . . . . . . . . 12 . 27261 1
6 2 . . . 13.89624 . . . . . . . . . . . . . . . . . . . 13 . 27261 1
7 1 . . . 0.3882 . . . . . . . . . . . . . . . . . . . 14 . 27261 1
7 2 . . . 13.85063 . . . . . . . . . . . . . . . . . . . 15 . 27261 1
8 1 . . . 0.92282 . . . . . . . . . . . . . . . . . . . 16 . 27261 1
8 2 . . . 13.62203 . . . . . . . . . . . . . . . . . . . 17 . 27261 1
9 1 . . . 0.68178 . . . . . . . . . . . . . . . . . . . 18 . 27261 1
9 2 . . . 13.68224 . . . . . . . . . . . . . . . . . . . 19 . 27261 1
10 1 . . . 0.81965923 . . . . . . . . . . . . . . . . . . . 20 . 27261 1
10 2 . . . 12.699996 . . . . . . . . . . . . . . . . . . . 21 . 27261 1
11 1 . . . 1.12301 . . . . . . . . . . . . . . . . . . . 22 . 27261 1
11 2 . . . 12.60821 . . . . . . . . . . . . . . . . . . . 23 . 27261 1
12 1 . . . 0.66948 . . . . . . . . . . . . . . . . . . . 24 . 27261 1
12 2 . . . 12.51665 . . . . . . . . . . . . . . . . . . . 25 . 27261 1
13 1 . . . 0.49347 . . . . . . . . . . . . . . . . . . . 26 . 27261 1
13 2 . . . 12.12016 . . . . . . . . . . . . . . . . . . . 27 . 27261 1
14 1 . . . 0.72041 . . . . . . . . . . . . . . . . . . . 28 . 27261 1
14 2 . . . 10.18539 . . . . . . . . . . . . . . . . . . . 29 . 27261 1
15 1 . . . 0.86993 . . . . . . . . . . . . . . . . . . . 30 . 27261 1
15 2 . . . 13.03099 . . . . . . . . . . . . . . . . . . . 31 . 27261 1
16 1 . . . 0.77114 . . . . . . . . . . . . . . . . . . . 32 . 27261 1
16 2 . . . 12.77503 . . . . . . . . . . . . . . . . . . . 33 . 27261 1
17 1 . . . 0.79575 . . . . . . . . . . . . . . . . . . . 34 . 27261 1
17 2 . . . 14.2034 . . . . . . . . . . . . . . . . . . . 35 . 27261 1
18 1 . . . 0.83827 . . . . . . . . . . . . . . . . . . . 36 . 27261 1
18 2 . . . 13.39958 . . . . . . . . . . . . . . . . . . . 37 . 27261 1
19 1 . . . 0.87988 . . . . . . . . . . . . . . . . . . . 38 . 27261 1
19 2 . . . 14.38295 . . . . . . . . . . . . . . . . . . . 39 . 27261 1
20 1 . . . 1.03465 . . . . . . . . . . . . . . . . . . . 40 . 27261 1
20 2 . . . 14.40783 . . . . . . . . . . . . . . . . . . . 41 . 27261 1
stop_
save_