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 34620
_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
C1HA-HN 4.695 8.412 +0.000 +0.000
C1HA-C6HN 4.694 7.921 -0.000 -0.000
C1HB*-HN 2.862 8.412 +0.000 +0.000
Y2HA-HN 4.857 8.252 -0.005 +0.003
Y2HA-P7HD* 4.867 3.774 +0.005 +0.000
Y2HBd-HD* 3.261 7.249 -0.004 +0.000
Y2HBd-HN 3.261 8.248 -0.003 -0.001
Y2HBd-I3HN 3.258 7.854 -0.007 +0.001
Y2HBd-P7HD* 3.280 3.765 +0.015 -0.009
Y2HBu-HD* 2.998 7.248 -0.003 -0.000
Y2HBu-HN 3.002 8.248 +0.001 -0.001
Y2HBu-I3HN 3.005 7.850 +0.004 -0.004
I3HA-Y2HBu 4.220 2.999 +0.002 -0.002
I3HA-Y2HN 4.221 8.247 +0.002 -0.002
I3HA-HN 4.217 7.855 -0.002 +0.001
I3HA-Q4HN 4.216 8.215 -0.003 +0.000
I3HB-HN 1.996 7.854 -0.000 +0.001
I3HB-Q4HN 1.997 8.215 +0.000 +0.000
I3HB-N5HN 1.997 8.340 +0.000 +0.000
I3HG1d-HN 1.301 7.854 -0.001 +0.000
I3HG1d-Q4HN 1.305 8.216 +0.003 +0.001
I3HG1d-N5HN 1.301 8.341 -0.001 +0.000
I3HG1u-HN 1.087 7.854 +0.000 +0.000
I3HG2D*-HN 0.938 7.854 +0.002 +0.000
I3HG2D*-Q4HN 0.938 8.216 +0.003 +0.000
I3HG2D*-N5HN 0.930 8.338 -0.005 -0.003
Q4HA-C1HN 4.168 8.412 +0.006 -0.000
Q4HA-Y2HN 4.161 8.250 -0.001 +0.001
Q4HA-HN 4.159 8.212 -0.003 -0.003
Q4HA-N5HN 4.159 8.341 -0.003 +0.000
Q4HB*-HN 2.109 8.215 -0.002 -0.000
Q4HB*-N5HN 2.114 8.341 +0.002 +0.000
Q4HG*-HEd 2.435 7.596 -0.002 +0.000
Q4HG*-HEu 2.439 6.957 +0.002 +0.000
Q4HG*-HN 2.435 8.216 -0.002 +0.001
Q4HG*-N5HN 2.437 8.341 +0.001 +0.000
N5HA-Y2HN 4.736 8.251 +0.000 +0.002
N5HA-HN 4.738 8.343 +0.002 +0.002
N5HB*-HA 2.881 4.735 +0.000 -0.002
N5HB*-HN 2.880 8.341 -0.000 +0.000
N5HB*-Y2HN 2.879 8.249 +0.000 +0.000
N5HB*-HD2d 2.879 7.646 +0.000 +0.000
N5HB*-HD2u 2.879 6.957 +0.000 +0.000
C6HA-HN 4.611 7.921 +0.000 -0.001
C6HBd-HN 3.145 7.923 +0.000 +0.001
C6HBu-HN 2.995 7.921 +0.000 -0.000
P7HA-HD* 4.486 3.780 +0.000 +0.006
P7HA-L8HN 4.486 8.508 +0.000 +0.000
P7HG*-HD* 2.080 3.777 +0.002 +0.003
P7HG*-L8HN 2.077 8.508 -0.002 +0.000
P7HGd-HD* 2.336 3.775 +0.004 +0.001
P7HGd-L8HN 2.327 8.508 -0.005 +0.000
P7HGu-HD* 1.980 3.773 +0.005 -0.001
P7HGu-L8HN 1.970 8.508 -0.005 +0.000
L8HA-HN 4.351 8.508 +0.000 +0.001
L8HA-G9HN 4.350 8.430 -0.000 -0.000
L8HB*-HN 1.719 8.508 +0.000 +0.000
L8HDd*-HN 0.974 8.506 +0.000 -0.001
L8HDu*-HN 0.933 8.506 +0.000 -0.001
L8HG-HN 1.666 8.508 +0.000 +0.001
G9HAd-HN 3.969 8.430 +0.002 -0.000
G9HAd-HTd 3.968 7.444 +0.001 +0.000
G9HAd-HTu 3.964 7.125 -0.003 +0.001
G9HAu-HN 3.918 8.431 -0.002 +0.000
G9HAu-HTd 3.919 7.444 -0.000 +0.000
G9HAu-HTu 3.921 7.123 +0.002 -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 . . 34620 1
2 . . H 1 H . . 9.4898 ppm . . . 2351.14 . . 34620 1
stop_
save_