Content for NMR-STAR saveframe, "13Caro"
save_13Caro
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode 13Caro
_Spectral_peak_list.Entry_ID 18605
_Spectral_peak_list.ID 3
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $NC
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 7
_Spectral_peak_list.Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY'
_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 .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details 'aromatic part'
_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 aromatic . . 3940.9 . . . . . . . 18605 3
2 . . H 1 all . . 8710.8 . . . . . . . 18605 3
3 . . C 13 aromatic . . 7423.9 . . . . . . . 18605 3
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 19020.0 . volume 18605 3
2 9228.0 . volume 18605 3
3 1309.0 . volume 18605 3
4 131900.0 . volume 18605 3
5 2711.0 . volume 18605 3
6 1435.0 . volume 18605 3
7 9587.0 . volume 18605 3
8 59280.0 . volume 18605 3
9 1166.0 . volume 18605 3
10 1341.0 . volume 18605 3
11 1812.0 . volume 18605 3
12 596.8 . volume 18605 3
13 834.6 . volume 18605 3
14 484.2 . volume 18605 3
15 524.1 . volume 18605 3
16 2131.0 . volume 18605 3
17 843.1 . volume 18605 3
18 787.4 . volume 18605 3
19 684.9 . volume 18605 3
20 2173.0 . volume 18605 3
21 684.1 . volume 18605 3
22 560.8 . volume 18605 3
23 2071.0 . volume 18605 3
24 1023.0 . volume 18605 3
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 6.996 . . . . . . . . . . . . . 18605 3
1 2 7.002 . . . . . . . . . . . . . 18605 3
1 3 130.707 . . . . . . . . . . . . . 18605 3
2 1 6.998 . . . . . . . . . . . . . 18605 3
2 2 6.809 . . . . . . . . . . . . . 18605 3
2 3 130.76 . . . . . . . . . . . . . 18605 3
3 1 6.994 . . . . . . . . . . . . . 18605 3
3 2 0.566 . . . . . . . . . . . . . 18605 3
3 3 130.767 . . . . . . . . . . . . . 18605 3
4 1 7.028 . . . . . . . . . . . . . 18605 3
4 2 7.026 . . . . . . . . . . . . . 18605 3
4 3 119.348 . . . . . . . . . . . . . 18605 3
5 1 7.028 . . . . . . . . . . . . . 18605 3
5 2 3.367 . . . . . . . . . . . . . 18605 3
5 3 119.265 . . . . . . . . . . . . . 18605 3
6 1 7.028 . . . . . . . . . . . . . 18605 3
6 2 0.452 . . . . . . . . . . . . . 18605 3
6 3 119.478 . . . . . . . . . . . . . 18605 3
7 1 6.809 . . . . . . . . . . . . . 18605 3
7 2 6.99 . . . . . . . . . . . . . 18605 3
7 3 130.993 . . . . . . . . . . . . . 18605 3
8 1 6.816 . . . . . . . . . . . . . 18605 3
8 2 6.812 . . . . . . . . . . . . . 18605 3
8 3 131.254 . . . . . . . . . . . . . 18605 3
9 1 6.808 . . . . . . . . . . . . . 18605 3
9 2 4.195 . . . . . . . . . . . . . 18605 3
9 3 131.048 . . . . . . . . . . . . . 18605 3
10 1 6.81 . . . . . . . . . . . . . 18605 3
10 2 3.085 . . . . . . . . . . . . . 18605 3
10 3 130.969 . . . . . . . . . . . . . 18605 3
11 1 7.028 . . . . . . . . . . . . . 18605 3
11 2 3.282 . . . . . . . . . . . . . 18605 3
11 3 119.265 . . . . . . . . . . . . . 18605 3
12 1 6.808 . . . . . . . . . . . . . 18605 3
12 2 1.937 . . . . . . . . . . . . . 18605 3
12 3 131.168 . . . . . . . . . . . . . 18605 3
13 1 6.801 . . . . . . . . . . . . . 18605 3
13 2 3.513 . . . . . . . . . . . . . 18605 3
13 3 130.935 . . . . . . . . . . . . . 18605 3
14 1 6.884 . . . . . . . . . . . . . 18605 3
14 2 3.472 . . . . . . . . . . . . . 18605 3
14 3 133.048 . . . . . . . . . . . . . 18605 3
15 1 6.878 . . . . . . . . . . . . . 18605 3
15 2 3.373 . . . . . . . . . . . . . 18605 3
15 3 133.048 . . . . . . . . . . . . . 18605 3
16 1 6.873 . . . . . . . . . . . . . 18605 3
16 2 4.201 . . . . . . . . . . . . . 18605 3
16 3 132.995 . . . . . . . . . . . . . 18605 3
17 1 6.872 . . . . . . . . . . . . . 18605 3
17 2 1.829 . . . . . . . . . . . . . 18605 3
17 3 133.03 . . . . . . . . . . . . . 18605 3
18 1 6.86 . . . . . . . . . . . . . 18605 3
18 2 0.881 . . . . . . . . . . . . . 18605 3
18 3 133.042 . . . . . . . . . . . . . 18605 3
19 1 6.882 . . . . . . . . . . . . . 18605 3
19 2 8.439 . . . . . . . . . . . . . 18605 3
19 3 132.995 . . . . . . . . . . . . . 18605 3
20 1 6.886 . . . . . . . . . . . . . 18605 3
20 2 1.15 . . . . . . . . . . . . . 18605 3
20 3 118.482 . . . . . . . . . . . . . 18605 3
21 1 7.027 . . . . . . . . . . . . . 18605 3
21 2 4.226 . . . . . . . . . . . . . 18605 3
21 3 119.322 . . . . . . . . . . . . . 18605 3
22 1 7.03 . . . . . . . . . . . . . 18605 3
22 2 4.493 . . . . . . . . . . . . . 18605 3
22 3 119.193 . . . . . . . . . . . . . 18605 3
23 1 6.882 . . . . . . . . . . . . . 18605 3
23 2 -0.031 . . . . . . . . . . . . . 18605 3
23 3 118.555 . . . . . . . . . . . . . 18605 3
24 1 6.881 . . . . . . . . . . . . . 18605 3
24 2 0.576 . . . . . . . . . . . . . 18605 3
24 3 118.633 . . . . . . . . . . . . . 18605 3
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 . . . 6.996 . . . . . . . . . . . 2041 . . . . . . 1 . . 18605 3
1 2 . . . 7.002 . . . . . . . . . . . 2041 . . . . . . 1 . . 18605 3
1 3 . . . 130.707 . . . . . . . . . . . 2042 . . . . . . 1 . . 18605 3
2 1 . . . 6.998 . . . . . . . . . . . 2041 . . . . . . 1 . . 18605 3
2 2 . . . 6.809 . . . . . . . . . . . 2039 . . . . . . 1 . . 18605 3
2 3 . . . 130.76 . . . . . . . . . . . 2042 . . . . . . 1 . . 18605 3
3 1 . . . 6.994 . . . . . . . . . . . 2041 . . . . . . 1 . . 18605 3
3 2 . . . 0.566 . . . . . . . . . . . 2140 . . . . . . 1 . . 18605 3
3 3 . . . 130.767 . . . . . . . . . . . 2042 . . . . . . 1 . . 18605 3
4 1 . . . 7.028 . . . . . . . . . . . 2043 . . . . . . 1 . . 18605 3
4 2 . . . 7.026 . . . . . . . . . . . 2043 . . . . . . 1 . . 18605 3
4 3 . . . 119.348 . . . . . . . . . . . 2044 . . . . . . 1 . . 18605 3
5 1 . . . 7.028 . . . . . . . . . . . 2043 . . . . . . 1 . . 18605 3
5 2 . . . 3.367 . . . . . . . . . . . 1763 . . . . . . 1 . . 18605 3
5 3 . . . 119.265 . . . . . . . . . . . 2044 . . . . . . 1 . . 18605 3
6 1 . . . 7.028 . . . . . . . . . . . 2043 . . . . . . 1 . . 18605 3
6 2 . . . 0.452 . . . . . . . . . . . 1768 . . . . . . 1 . . 18605 3
6 3 . . . 119.478 . . . . . . . . . . . 2044 . . . . . . 1 . . 18605 3
7 1 . . . 6.809 . . . . . . . . . . . 2039 . . . . . . 1 . . 18605 3
7 2 . . . 6.99 . . . . . . . . . . . 2041 . . . . . . 1 . . 18605 3
7 3 . . . 130.993 . . . . . . . . . . . 2040 . . . . . . 1 . . 18605 3
8 1 . . . 6.816 . . . . . . . . . . . 2039 . . . . . . 1 . . 18605 3
8 2 . . . 6.812 . . . . . . . . . . . 2039 . . . . . . 1 . . 18605 3
8 3 . . . 131.254 . . . . . . . . . . . 2040 . . . . . . 1 . . 18605 3
9 1 . . . 6.808 . . . . . . . . . . . 2039 . . . . . . 1 . . 18605 3
9 2 . . . 4.195 . . . . . . . . . . . 642 . . . . . . 1 . . 18605 3
9 3 . . . 131.048 . . . . . . . . . . . 2040 . . . . . . 1 . . 18605 3
10 1 . . . 6.81 . . . . . . . . . . . 2039 . . . . . . 1 . . 18605 3
10 2 . . . 3.085 . . . . . . . . . . . 645 . . . . . . 1 . . 18605 3
10 3 . . . 130.969 . . . . . . . . . . . 2040 . . . . . . 1 . . 18605 3
11 1 . . . 7.028 . . . . . . . . . . . 2043 . . . . . . 1 . . 18605 3
11 2 . . . 3.282 . . . . . . . . . . . 373 . . . . . . 1 . . 18605 3
11 3 . . . 119.265 . . . . . . . . . . . 2044 . . . . . . 1 . . 18605 3
12 1 . . . 6.808 . . . . . . . . . . . 2039 . . . . . . 1 . . 18605 3
12 2 . . . 1.937 . . . . . . . . . . . 1799 . . . . . . 1 . . 18605 3
12 3 . . . 131.168 . . . . . . . . . . . 2040 . . . . . . 1 . . 18605 3
13 1 . . . 6.801 . . . . . . . . . . . 2039 . . . . . . 1 . . 18605 3
13 2 . . . 3.513 . . . . . . . . . . . 644 . . . . . . 1 . . 18605 3
13 3 . . . 130.935 . . . . . . . . . . . 2040 . . . . . . 1 . . 18605 3
14 1 . . . 6.884 . . . . . . . . . . . 2030 . . . . . . 1 . . 18605 3
14 2 . . . 3.472 . . . . . . . . . . . 2033 . . . . . . 1 . . 18605 3
14 3 . . . 133.048 . . . . . . . . . . . 2031 . . . . . . 1 . . 18605 3
15 1 . . . 6.878 . . . . . . . . . . . 2030 . . . . . . 1 . . 18605 3
15 2 . . . 3.373 . . . . . . . . . . . 2032 . . . . . . 1 . . 18605 3
15 3 . . . 133.048 . . . . . . . . . . . 2031 . . . . . . 1 . . 18605 3
16 1 . . . 6.873 . . . . . . . . . . . 2030 . . . . . . 1 . . 18605 3
16 2 . . . 4.201 . . . . . . . . . . . 2142 . . . . . . 1 . . 18605 3
16 3 . . . 132.995 . . . . . . . . . . . 2031 . . . . . . 1 . . 18605 3
17 1 . . . 6.872 . . . . . . . . . . . 2030 . . . . . . 1 . . 18605 3
17 2 . . . 1.829 . . . . . . . . . . . 1812 . . . . . . 1 . . 18605 3
17 3 . . . 133.03 . . . . . . . . . . . 2031 . . . . . . 1 . . 18605 3
18 1 . . . 6.86 . . . . . . . . . . . 2030 . . . . . . 1 . . 18605 3
18 2 . . . 0.881 . . . . . . . . . . . 1951 . . . . . . 1 . . 18605 3
18 3 . . . 133.042 . . . . . . . . . . . 2031 . . . . . . 1 . . 18605 3
19 1 . . . 6.882 . . . . . . . . . . . 2030 . . . . . . 1 . . 18605 3
19 2 . . . 8.439 . . . . . . . . . . . 800 . . . . . . 1 . . 18605 3
19 3 . . . 132.995 . . . . . . . . . . . 2031 . . . . . . 1 . . 18605 3
20 1 . . . 6.886 . . . . . . . . . . . 2028 . . . . . . 1 . . 18605 3
20 2 . . . 1.15 . . . . . . . . . . . 1736 . . . . . . 1 . . 18605 3
20 3 . . . 118.482 . . . . . . . . . . . 2029 . . . . . . 1 . . 18605 3
21 1 . . . 7.027 . . . . . . . . . . . 2043 . . . . . . 1 . . 18605 3
21 2 . . . 4.226 . . . . . . . . . . . 335 . . . . . . 1 . . 18605 3
21 3 . . . 119.322 . . . . . . . . . . . 2044 . . . . . . 1 . . 18605 3
22 1 . . . 7.03 . . . . . . . . . . . 2043 . . . . . . 1 . . 18605 3
22 2 . . . 4.493 . . . . . . . . . . . 1714 . . . . . . 1 . . 18605 3
22 3 . . . 119.193 . . . . . . . . . . . 2044 . . . . . . 1 . . 18605 3
24 1 . . . 6.881 . . . . . . . . . . . 2028 . . . . . . 1 . . 18605 3
24 2 . . . 0.576 . . . . . . . . . . . 1952 . . . . . . 1 . . 18605 3
24 3 . . . 118.633 . . . . . . . . . . . 2029 . . . . . . 1 . . 18605 3
stop_
save_