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 34637
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name .
_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.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 3
_Spectral_peak_list.Experiment_name '2D 1H-1H ROESY'
_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 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
Assignment w1 w2 Dev w1 Dev w2
X1HB1-HB2 3.532 3.640 +0.000 +0.000
Y2HB1-HD* 3.165 7.192 +0.000 +0.000
Y2HB2-HD* 3.002 7.191 +0.000 -0.001
Y2HE*-HD* 6.881 7.193 +0.000 +0.001
I3HA-HN 4.040 7.952 +0.000 -0.002
I3HB-HN 1.907 7.955 +0.004 +0.001
I3HB-Q4HN 1.899 8.236 -0.004 +0.001
I3HG2*D1*-HN 0.859 7.954 +0.002 -0.000
I3HG2*D1*-Q4HN 0.859 8.235 +0.002 -0.000
I3HG2*D1*-N5HN 0.852 8.347 -0.005 -0.001
I3HG2-HN 1.201 7.955 +0.000 +0.001
I3HG2-Q4HN 1.201 8.236 +0.000 +0.001
I3HG2-N5HN 1.201 8.347 +0.000 -0.001
I3HG1-HN 0.968 7.955 +0.000 +0.001
Q4HA-HN 4.103 8.234 +0.000 -0.001
Q4HA-N5HN 4.103 8.347 +0.000 -0.001
Q4HB*-HN 2.047 8.235 -0.003 -0.000
Q4HB*-N5HN 2.054 8.348 +0.003 +0.000
Q4HG*-HE2* 2.397 7.565 +0.003 +0.000
Q4HG*-HN 2.396 8.236 +0.002 +0.001
Q4HG*-N5HN 2.388 8.349 -0.006 +0.001
N5HA-HD22 4.717 7.617 +0.001 +0.000
N5HA-HN 4.715 8.347 -0.001 -0.001
N5HA-C6HN 4.717 8.227 +0.001 -0.000
N5HB*-HD21 2.839 6.937 -0.002 -0.000
N5HB*-HD22 2.847 7.617 +0.006 +0.000
N5HB*-HN 2.838 8.348 -0.003 +0.000
N5HB*-C6HN 2.839 8.228 -0.002 +0.001
N5HD21-HD22 6.938 7.616 +0.000 -0.001
C6HA-HN 4.878 8.226 +0.000 -0.001
C6HBd-HN 3.234 8.227 +0.000 -0.000
C6HBu-HN 2.970 8.228 +0.000 +0.001
P7HA-L8HN 4.435 8.510 -0.002 -0.001
P7HA-G9HN 4.438 8.408 +0.002 -0.003
P7HBd-L8HN 2.287 8.511 +0.000 +0.000
P7HBu-L8HN 1.922 8.511 +0.000 +0.000
P7HD*-HG* 3.734 2.032 +0.000 +0.005
P7HG*-L8HN 2.023 8.513 -0.004 +0.002
L8HA-HN 4.295 8.511 +0.003 +0.000
L8HA-G9HN 4.289 8.410 -0.003 -0.001
L8HB1-HN 1.668 8.510 -0.003 -0.001
L8HB1-G9HN 1.674 8.412 +0.003 +0.002
L8HB2-HN 1.609 8.510 +0.006 -0.001
L8HB2-G9HN 1.597 8.412 -0.006 +0.002
L8HD2-HN 0.929 8.510 +0.000 -0.001
L8HD2-G9HN 0.929 8.412 +0.000 +0.002
L8HD1-HN 0.876 8.510 +0.000 -0.001
G9HA*-NT2 3.896 7.411 +0.000 +0.001
G9HA1-HN 3.932 8.410 +0.000 -0.001
G9HA2-HN 3.863 8.410 +0.000 -0.001
G9NT2-HN 7.409 8.410 -0.001 -0.001
G9NT1-NT2 7.092 7.411 +0.000 +0.001
;
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 . . 9.4898 ppm . . . 2351.14 . . 34637 1
2 . . H 1 H . . 9.4898 ppm . . . 2351.14 . . 34637 1
stop_
save_