#########################
# Spectral peak lists #
#########################
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 30283
_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-1H NOESY'
_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 text
_Spectral_peak_list.Text_data
;
Assignment w1 w2 Volume ATOM1 ATOM2 NOTE
?-? 7.837 10.205
?-? 7.817 10.281
?-? 5.478 7.646
G1H1-A2H2 12.679 7.951 1 G H1 2 A H2
G1H1-C15H41 12.679 8.487 1 G H1 15 C H41
G1H1-C15H42 12.679 7.146 1 G H1 15 C H42
A2H2-G1H1 7.951 12.679 2 A H2 1 G H1
A2H2-G13H1 7.951 13.330 2 A H2 13 G H1
A2H2-U14H3 7.951 14.696 2 A H2 14 U H3
C3H41-H42 8.487 7.074 3 C H41 3 C H42
C3H41-G13H1 8.487 13.330 3 C H41 13 G H1
C3H42-H41 7.074 8.487 3 C H42 3 C H41
C3H42-H6 7.074 7.605 3 C H42 3 C H6
C3H42-G12H1 7.074 12.913 3 C H42 12 G H1
C3H42-G13H1 7.074 13.330 3 C H42 13 G H1
C3H5-H41 5.224 8.486 3 C H5 3 C H41
C3H5-H42 5.224 7.074 3 C H5 3 C H42
C4H41-H42 8.344 6.865 4 C H41 4 C H42
C4H41-G12H1 8.344 12.913 4 C H41 12 G H1
C4H42-H41 6.865 8.344 4 C H42 4 C H41
C4H42-H6 6.865 7.646 4 C H42 4 C H6
C4H42-G12H1 6.865 12.913 4 C H42 12 G H1
C4H5-H41 5.446 8.344 4 C H5 4 C H41
C4H5-H42 5.446 6.865 4 C H5 4 C H42
C4H6-G12H1 7.646 12.913 4 C H6 12 G H1
U5/11H3-G6H1 10.205 13.368 5 U H3 6 G H1
U5/11H3-G6H1' 10.281 5.781 5 U H3 6 G H1'
U5/11H3-G6H8 10.281 7.817 5 U H3 6 G H8
U5/U11H3-G6H1 10.281 13.368 5 U H3 6 G H1
G6H1-U5/U11H3 13.368 10.281 6 G H1 5 U H3
G6H1-C10H41 13.368 8.416 6 G H1 10 C H41
G6H1-C10H42 13.368 6.798 6 G H1 10 C H42
G6H1'-U5/11H3 5.781 10.281 6 G H1' 5 U H3
C7H41-H42 8.416 6.798 7 C H41 7 C H42
C7H41-G9H1 8.416 13.368 7 C H41 9 G H1
C7H42-H41 6.798 8.416 7 C H42 7 C H41
C7H42-G9H1 6.798 13.368 7 C H42 9 G H1
C7H5-H41 5.234 8.416 7 C H5 7 C H41
C7H5-H42 5.233 6.798 7 C H5 7 C H42
C7H5-H6 5.234 7.586 7 C H5 7 C H6
C7H6-G6H1' 7.575 5.781 7 C H6 6 G H1'
U8H3-G9H1 10.281 13.368 8 U H3 9 G H1
U8H3-G9H1' 10.281 5.781 8 U H3 9 G H1'
U8H3-G9H8 10.281 7.817 8 U H3 9 G H8
G9H1-C7H41 13.368 8.416 9 G H1 7 C H41
G9H1-C7H42 13.368 6.798 9 G H1 7 C H42
G9H1-U8H3 13.368 10.281 9 G H1 8 U H3
G9H1'-U8H3 5.781 10.281 9 G H1' 8 U H3
C10H41-G6H1 8.416 13.368 10 C H41 6 G H1
C10H41-H42 8.416 6.798 10 C H41 10 C H42
C10H42-G6H1 6.798 13.368 10 C H42 6 G H1
C10H42-H41 6.798 8.416 10 C H42 10 C H41
C10H5-H41 5.234 8.416 10 C H5 10 C H41
C10H5-H42 5.233 6.798 10 C H5 10 C H42
C10H5-H6 5.234 7.586 10 C H5 10 C H6
C10H6-G9H1' 7.575 5.781 10 C H6 9 G H1'
U11/U5H3-G12H1' 10.205 5.840 11 U H3 12 G H1'
U11/U5H3-G12H8 10.205 7.837 11 U H3 12 G H8
G12H1-C3H42 12.913 7.074 12 G H1 3 C H42
G12H1-C4H41 12.913 8.344 12 G H1 4 C H41
G12H1-C4H42 12.913 6.865 12 G H1 4 C H42
G12H1-C4H6 12.913 7.646 12 G H1 4 C H6
G12H1-G13H1 12.913 13.330 12 G H1 13 G H1
G12H1-G13H1' 12.913 5.762 12 G H1 13 G H1'
G12H1'-U11/U5H3 5.840 10.205 12 G H1' 11 U H3
G12H1'-H8 5.840 7.837 12 G H1' 12 G H8
G12H1'-G13H8 5.840 7.277 12 G H1' 13 G H8
G12H8-H1' 7.837 5.840 12 G H8 12 G H1'
G13H1-A2H2 13.330 7.951 13 G H1 2 A H2
G13H1-C3H41 13.330 8.487 13 G H1 3 C H41
G13H1-C3H42 13.330 7.074 13 G H1 3 C H42
G13H1-G12H1 13.330 12.913 13 G H1 12 G H1
G13H1-U14H1' 13.330 5.599 13 G H1 14 U H1'
G13H1-U14H3 13.330 14.696 13 G H1 14 U H3
G13H1'-G12H1 5.762 12.913 13 G H1' 12 G H1
G13H1'-H8 5.762 7.277 13 G H1' 13 G H8
G13H8-G12H1' 7.277 5.840 13 G H8 12 G H1'
G13H8-H1' 7.277 5.762 13 G H8 13 G H1'
U14H1'-G13H1 5.599 13.330 14 U H1' 13 G H1
U14H3-A2H2 14.696 7.951 14 U H3 2 A H2
U14H3-G13H1 14.696 13.330 14 U H3 13 G H1
U14H5-H6 5.072 7.812 14 U H5 14 U H6
C15H41-G1H1 8.487 12.679 15 C H41 1 G H1
C15H41-H42 8.487 7.146 15 C H41 15 C H42
C15H42-G1H1 7.146 12.679 15 C H42 1 G H1
C15H42-H41 7.146 8.487 15 C H42 15 C H41
C15H42-H6 7.146 7.775 15 C H42 15 C H6
C15H5-H41 5.687 8.487 15 C H5 15 C H41
C15H5-H41 5.687 8.487 15 C H5 15 C H41
C15H5-H42 5.687 7.146 15 C H5 15 C H42
C15H5-H42 5.687 7.146 15 C H5 15 C H42
C15H5-H6 5.687 7.775 15 C H5 15 C H6
C15H5-H6 5.687 7.775 15 C H5 15 C H6
C15H6-H42 7.775 7.146 15 C H6 15 C H42
;
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 . . 10.0021 ppm . . . 4.7 . . 30283 1
2 . . H 1 H . . 10.0000 ppm . . . 4.7 . . 30283 1
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_2
_Spectral_peak_list.Entry_ID 30283
_Spectral_peak_list.ID 2
_Spectral_peak_list.Sample_ID 2
_Spectral_peak_list.Sample_label $sample_2
_Spectral_peak_list.Sample_condition_list_ID 2
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_2
_Spectral_peak_list.Experiment_ID 2
_Spectral_peak_list.Experiment_name '2D 1H-1H NOESY'
_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 text
_Spectral_peak_list.Text_data
;
Assignment w1 w2 Volume ATOM1 ATOM2 NOTE
G1H1'-H2' 5.720 4.832 2.50e+007 bx 1 G H1' 1 G H2' ref 2.75
G1H1'-H3' 5.720 4.674 1.55e+006 bx 1 G H1' 1 G H3'
G1H1'-H4' 5.720 4.399 1 G H1' 1 G H4'
G1H2'-H3' 4.832 4.675 1 G H2' 1 G H3'
G1H3'-H2' 4.675 4.832 1 G H3' 1 G H2'
G1H4'-H2' 4.398 4.832 1 G H4' 1 G H2'
G1H5'-H2' 4.043 4.832 1 G H5' 1 G H2'
G1H5'-H3' 4.043 4.675 1 G H5' 1 G H3'
G1H5'-H4' 4.043 4.398 1 G H5' 1 G H4'
G1H5'-H5'' 4.043 3.929 1 G H5' 1 G H5''
G1H5''-H2' 3.929 4.832 1 G H5'' 1 G H2'
G1H5''-H3' 3.930 4.675 1 G H5'' 1 G H3'
G1H5''-H4' 3.930 4.398 1 G H5'' 1 G H4'
G1H5''-H5' 3.929 4.043 1 G H5'' 1 G H5'
G1H8-H1' 8.065 5.720 6.83e+006 bx 1 G H8 1 G H1'
G1H8-H2' 8.065 4.832 9.23e+006 bx 1 G H8 1 G H2'
G1H8-H3' 8.065 4.674 1.00e+007 bx 1 G H8 1 G H3'
G1H8-H4' 8.065 4.399 1.56e+006 bx 1 G H8 1 G H4'
G1H8-H5' 8.065 4.043 1 G H8 1 G H5'
G1H8-H5'' 8.065 3.929 1 G H8 1 G H5''
G1H8-A2H8 8.065 8.190 1 G H8 2 A H8
A2H1'-G1H2' 6.099 4.832 1.06e+006 bx 2 A H1' 1 G H2'
A2H1'-H2' 6.099 4.560 1.00e+002 ma 2 A H1' 2 A H2' ma 1.8 0 2.7
A2H1'-C3H5 6.099 5.212 2 A H1' 3 C H5
A2H2-H1' 7.947 6.099 7.24e+005 bx 2 A H2 2 A H1'
A2H2-C3H1' 7.947 5.466 5.30e+006 bx 2 A H2 3 C H1'
A2H2-U14H1' 7.947 5.602 2 A H2 14 U H1'
A2H2-C15H1' 7.947 5.874 3.63e+006 bx 2 A H2 15 C H1'
A2H2'-C3H1' 4.560 5.466 1.89e+006 bx 2 A H2' 3 C H1'
A2H2'-C3H5 4.560 5.212 4.98e+006 ma 2 A H2' 3 C H5
A2H8-G1H1' 8.191 5.720 2 A H8 1 G H1'
A2H8-G1H2' 8.191 4.832 3.17e+007 bx 2 A H8 1 G H2'
A2H8-G1H3' 8.190 4.674 7.43e+006 bx 2 A H8 1 G H3'
A2H8-G1H8 8.190 8.065 2 A H8 1 G H8
A2H8-H1' 8.190 6.099 2.28e+006 bx 2 A H8 2 A H1'
A2H8-H2' 8.190 4.560 3.64e+006 bx 2 A H8 2 A H2'
A2H8-C3H5 8.190 5.212 1.06e+006 bx 2 A H8 3 C H5
A2H8-C3H6 8.191 7.582 2 A H8 3 C H6
C3H1'-A2H2' 5.466 4.560 3 C H1' 2 A H2'
C3H1'-H2' 5.466 4.280 1.00e+002 ma 3 C H1' 3 C H2' ma 1.8 0 2.7
C3H1'-H3'? 5.466 4.388 3 C H1' 3 C H3'?
C3H5-A2H2' 5.212 4.560 3 C H5 2 A H2'
C3H5-H3'? 5.212 4.388 3 C H5 3 C H3'?
C3H5-C4H5 5.212 5.435 3 C H5 4 C H5
C3H6-A2H1' 7.582 6.098 3 C H6 2 A H1'
C3H6-A2H2' 7.582 4.560 5.35e+007 bx 3 C H6 2 A H2'
C3H6-A2H8 7.582 8.190 3 C H6 2 A H8
C3H6-H1' 7.582 5.466 1.00e+002 ma 3 C H6 3 C H1' ma 1.8 0 2.7
C3H6-H2' 7.582 4.280 3 C H6 3 C H2'
C3H6-H3'? 7.582 4.388 1.00e+002 ma 3 C H6 3 C H3'? ma 1.8 0 2.7
C3H6-H5 7.582 5.212 3.31e+007 bx 3 C H6 3 C H5 ref 2.45
C3H6-C4H6 7.582 7.631 3 C H6 4 C H6
C4H5-C3H5 5.435 5.212 4 C H5 3 C H5
C4H6-C3H1' 7.631 5.466 4 C H6 3 C H1'
C4H6-C3H2' 7.631 4.280 1.00e+002 ma 4 C H6 3 C H2' ma 1.8 0 1.2
C4H6-C3H5 7.631 5.212 1.00e+002 ma 4 C H6 3 C H5 ma 3 0 3
C4H6-C3H6 7.631 7.582 4 C H6 3 C H6
U5H6?-H1' 7.636 5.448 5 U H6? 5 U H1'
U5H6?-G6H8 7.636 7.827 1.00e+002 ma 5 U H6? 6 G H8 ma 3 0 3
G6H1'-H2' 5.757 4.561 2.60e+007 ma 6 G H1' 6 G H2'
G6H1'-C7H5 5.757 5.221 6 G H1' 7 C H5
G6H2'-C7H1' 4.561 5.504 2.68e+006 ma 6 G H2' 7 C H1'
G6H2'-C7H5 4.561 5.221 4.98e+006 ma 6 G H2' 7 C H5
G6H8-U5H1' 7.827 5.448 1.00e+002 ma 6 G H8 5 U H1' ma 3 0 3
G6H8-U5H2'? 7.827 4.446 6 G H8 5 U H2'?
G6H8-U5H6? 7.827 7.636 6 G H8 5 U H6?
G6H8-H1' 7.827 5.757 5.75e+006 ma 6 G H8 6 G H1'
G6H8-H2' 7.827 4.561 2.36e+007 ma 6 G H8 6 G H2'
G6H8-C7H5 7.827 5.221 1.18e+006 bx 6 G H8 7 C H5
G6H8-C7H6 7.827 7.531 6 G H8 7 C H6
C7H1'-G6H2' 5.504 4.561 7 C H1' 6 G H2'
C7H5-G6H2' 5.221 4.561 7 C H5 6 G H2'
C7H6-G6H1' 7.531 5.757 7 C H6 6 G H1'
C7H6-G6H2' 7.531 4.561 3.96e+007 ma 7 C H6 6 G H2'
C7H6-G6H8 7.531 7.827 7 C H6 6 G H8
C7H6-H1' 7.531 5.504 6.60e+006 ma 7 C H6 7 C H1'
C7H6-H5 7.531 5.221 7 C H6 7 C H5
C7H6-U8H6 7.531 7.636 7 C H6 8 U H6
U8H6-C7H1' 7.636 5.504 8 U H6 7 C H1'
U8H6-C7H5 7.636 5.221 1.00e+002 ma 8 U H6 7 C H5 ma 3 0 3
U8H6-C7H6 7.636 7.531 8 U H6 7 C H6
U8H6-H1' 7.636 5.486 8 U H6 8 U H1'
U8H6-G9H8 7.636 7.837 1.00e+002 ma 8 U H6 9 G H8 ma 3 0 3
G9H1'-H2' 5.765 4.562 2.60e+007 ma 9 G H1' 9 G H2'
G9H1'-C10H5 5.765 5.247 9 G H1' 10 C H5
G9H1'-C10H5 5.765 5.247 9 G H1' 10 C H5
G9H2'-C10H1' 4.562 5.512 2.68e+006 ma 9 G H2' 10 C H1'
G9H2'-C10H5 4.562 5.247 5.42e+006 bx 9 G H2' 10 C H5
G9H8-U8H1' 7.837 5.486 1.00e+002 ma 9 G H8 8 U H1' ma 3 0 3
G9H8-U8H6 7.837 7.636 9 G H8 8 U H6
G9H8-H1' 7.837 5.765 5.75e+006 ma 9 G H8 9 G H1'
G9H8-H2' 7.837 4.562 2.36e+007 ma 9 G H8 9 G H2'
G9H8-C10H5 7.837 5.247 1.41e+006 bx 9 G H8 10 C H5
G9H8-C10H6 7.837 7.549 9 G H8 10 C H6
C10H1'-G9H2' 5.512 4.562 10 C H1' 9 G H2'
C10H1'-H5 5.512 5.247 10 C H1' 10 C H5
C10H5-G9H1' 5.247 5.765 10 C H5 9 G H1'
C10H5-G9H2' 5.247 4.562 10 C H5 9 G H2'
C10H5-H1' 5.247 5.512 10 C H5 10 C H1'
C10H5-U11H5 5.247 5.448 10 C H5 11 U H5
C10H6-G9H1' 7.549 5.765 10 C H6 9 G H1'
C10H6-G9H2' 7.549 4.562 3.96e+007 ma 10 C H6 9 G H2'
C10H6-G9H8 7.549 7.837 10 C H6 9 G H8
C10H6-H1' 7.549 5.512 6.60e+006 ma 10 C H6 10 C H1'
C10H6-H5 7.549 5.247 10 C H6 10 C H5
C10H6-U11H6 7.549 7.651 10 C H6 11 U H6
U11H1'-H2'? 5.495 4.332 11 U H1' 11 U H2'?
U11H5-C10H5 5.448 5.247 11 U H5 10 C H5
U11H6-C10H1' 7.651 5.512 11 U H6 10 C H1'
U11H6-C10H5 7.651 5.247 1.00e+002 ma 11 U H6 10 C H5 ma 3 0 3
U11H6-C10H6 7.651 7.549 11 U H6 10 C H6
U11H6-H1' 7.651 5.495 11 U H6 11 U H1'
U11H6-G12H8 7.651 7.854 1.00e+002 ma 11 U H6 12 G H8 ma 3 0 3
G12H1'-U11H2'? 5.829 4.332 12 G H1' 11 U H2'?
G12H1'-H2' 5.829 4.693 1.51e+007 bx 12 G H1' 12 G H2'
G12H1'-H3' 5.829 4.639 1.52e+006 bx 12 G H1' 12 G H3'
G12H1'-H4' 5.829 4.444 1.62e+006 bx 12 G H1' 12 G H4'
G12H8-U11H1' 7.854 5.495 1.00e+002 ma 12 G H8 11 U H1' ma 3 0 3
G12H8-U11H2'? 7.854 4.332 4.58e+007 bx 12 G H8 11 U H2'?
G12H8-U11H6 7.854 7.651 12 G H8 11 U H6
G12H8-H1' 7.854 5.829 4.37e+006 bx 12 G H8 12 G H1'
G12H8-H2' 7.854 4.693 1.01e+007 bx 12 G H8 12 G H2'
G12H8-H3' 7.854 4.639 12 G H8 12 G H3'
G12H8-G13H8 7.854 7.261 12 G H8 13 G H8
G13H1'-G12H2' 5.739 4.693 9.98e+005 bx 13 G H1' 12 G H2'
G13H1'-H2' 5.739 4.491 3.26e+007 bx 13 G H1' 13 G H2'
G13H1'-H3'? 5.739 4.403 13 G H1' 13 G H3'?
G13H2'-U14H5 4.491 5.075 13 G H2' 14 U H5
G13H8-G12H1' 7.261 5.829 13 G H8 12 G H1'
G13H8-G12H2' 7.261 4.693 2.50e+007 bx 13 G H8 12 G H2'
G13H8-G12H3' 7.261 4.639 9.01e+006 bx 13 G H8 12 G H3'
G13H8-G12H8 7.261 7.854 13 G H8 12 G H8
G13H8-H1' 7.261 5.739 4.55e+006 bx 13 G H8 13 G H1'
G13H8-H2' 7.261 4.491 5.38e+006 bx 13 G H8 13 G H2'
G13H8-H3'? 7.261 4.402 1.54e+007 bx 13 G H8 13 G H3'?
G13H8-U14H5 7.261 5.075 1.24e+006 bx 13 G H8 14 U H5
G13H8-U14H6 7.261 7.795 13 G H8 14 U H6
U14H1'-G13H2' 5.602 4.491 14 U H1' 13 G H2'
U14H1'-H2' 5.602 4.321 2.89e+007 bx 14 U H1' 14 U H2'
U14H1'-H3' 5.602 4.491 14 U H1' 14 U H3'
U14H1'-C15H5 5.602 5.685 14 U H1' 15 C H5
U14H5-G13H2' 5.075 4.491 1.17e+006 bx 14 U H5 13 G H2'
U14H5-G13H3'? 5.075 4.402 14 U H5 13 G H3'?
U14H5-H2' 5.075 4.321 14 U H5 14 U H2'
U14H6-G13H1' 7.795 5.739 14 U H6 13 G H1'
U14H6-G13H2' 7.795 4.491 14 U H6 13 G H2'
U14H6-G13H3'? 7.795 4.402 3.48e+007 bx 14 U H6 13 G H3'?
U14H6-G13H8 7.795 7.261 14 U H6 13 G H8
U14H6-H1' 7.795 5.602 6.70e+006 bx 14 U H6 14 U H1'
U14H6-H3' 7.795 4.491 14 U H6 14 U H3'
U14H6-H5 7.795 5.075 5.01e+007 bx 14 U H6 14 U H5 ref 2.45
C15H1'-U14H2' 5.874 4.321 1.29e+006 bx 15 C H1' 14 U H2'
C15H1'-H2' 5.874 3.993 3.43e+007 bx 15 C H1' 15 C H2'
C15H1'-H3' 5.874 4.193 1.82e+007 bx 15 C H1' 15 C H3'
C15H5-U14H1' 5.685 5.602 15 C H5 14 U H1'
C15H5-U14H2' 5.685 4.321 3.10e+006 bx 15 C H5 14 U H2'
C15H5-U14H3' 5.685 4.491 1.18e+006 bx 15 C H5 14 U H3'
C15H5-H2' 5.685 3.993 15 C H5 15 C H2'
C15H5-H3' 5.685 4.193 4.79e+005 bx 15 C H5 15 C H3'
C15H6-U14H1' 7.761 5.602 15 C H6 14 U H1'
C15H6-U14H2' 7.761 4.321 5.74e+007 bx 15 C H6 14 U H2'
C15H6-U14H3' 7.761 4.491 15 C H6 14 U H3'
C15H6-U14H5 7.761 5.075 15 C H6 14 U H5
C15H6-H1' 7.761 5.874 1.01e+007 bx 15 C H6 15 C H1'
C15H6-H2' 7.761 3.993 1.59e+007 bx 15 C H6 15 C H2'
C15H6-H3' 7.761 4.193 4.60e+007 bx 15 C H6 15 C H3'
C15H6-H5 7.761 5.685 15 C H6 15 C H5
;
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 . . 22.9703 ppm . . . 4.69 . . 30283 2
2 . . H 1 H . . 23.0000 ppm . . . 4.69 . . 30283 2
stop_
save_