Content for NMR-STAR saveframe, spectral_peak_list_2
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 52953
_Spectral_peak_list.ID 2
_Spectral_peak_list.Name HNCO
_Spectral_peak_list.Sample_ID 2
_Spectral_peak_list.Sample_label $sample_2
_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 2
_Spectral_peak_list.Experiment_name '3D HNCO'
_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 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 w3
E5N-P4C-E5H 120.409 176.723 8.441
F6N-E5C-F6H 119.862 176.103 8.022
M7N-F6C-M7H 121.997 175.314 8.060
I8N-M7C-I8H 123.094 175.383 8.093
K9N-I8C-K9H 130.855 175.157 7.916
D15N-P14C-D15H 119.836 176.612 8.384
V16N-D15C-V16H 119.796 176.558 7.961
A17N-V16C-A17H 126.644 176.288 8.346
G18N-A17C-G18H 107.576 178.390 8.273
G19N-G18C-G19H 107.839 174.689 8.076
Y20N-G19C-Y20H 119.211 174.112 8.262
H21N-Y20C-H21H 120.424 174.725 8.325
N22N-H21C-N22H 124.536 173.381 8.594
N22ND2-CG-HD21 112.825 177.030 7.271
N22ND2-CG-HD22 113.028 177.031 6.674
L23N-N22C-L23H 120.646 173.408 8.938
R24N-L23C-R24H 130.773 176.747 8.885
C25N-R24C-C25H 120.661 175.404 9.018
G26N-C25C-G26H 107.424 173.745 7.480
E27N-G26C-E27H 120.691 171.098 8.547
V28N-E27C-V28H 123.558 174.164 8.710
L29N-V28C-L29H 128.387 174.006 9.290
F30N-L29C-F30H 124.245 175.969 9.101
S31N-F30C-S31H 121.885 174.732 7.822
A32N-S31C-A32H 125.427 170.568 7.825
A34N-P33C-A34H 123.973 176.996 8.144
S35N-A34C-S35H 116.432 175.340 8.012
Y36N-S35C-Y36H 124.477 172.103 8.673
E37N-Y36C-E37H 124.368 175.523 9.139
V38N-E37C-V38H 119.842 174.479 9.818
S39N-V38C-S39H 122.031 175.924 9.054
C40N-S39C-C40H 131.634 173.789 8.749
L41N-C40C-L41H 126.549 175.543 9.039
L42N-L41C-L42H 122.293 177.665 9.221
C43N-L42C-C43H 117.472 176.446 7.769
D44N-C43C-D44H 116.428 172.901 8.081
Q45N-D44C-Q45H 120.836 176.532 8.365
R46N-Q45C-R46H 122.293 174.273 8.344
L47N-R46C-L47H 127.642 175.083 8.944
L49N-P48C-L49H 125.399 178.095 8.343
D50N-L49C-D50H 112.955 178.166 8.619
G51N-D50C-G51H 105.761 177.476 7.840
Y52N-G51C-Y52H 123.124 175.167 7.985
E54N-P53C-E54H 115.838 177.804 7.648
H55N-E54C-H55H 117.205 177.873 7.232
F56N-H55C-F56H 119.726 175.690 8.567
R57N-F56C-R57H 119.416 178.298 8.665
L58N-R57C-L58H 115.691 177.980 7.779
K59N-L58C-K59H 113.127 179.078 7.807
H60N-K59C-H60H 113.691 177.372 7.741
F61N-H60C-F61H 121.368 173.870 7.390
T62N-F61C-T62H 115.024 174.950 7.535
L68N-S67C-L68H 129.417 173.404 7.860
;
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 . 'not observed' 14 ppm . . . . . . 52953 2
2 . . N 15 N . 'not observed' 28 ppm . . . . . . 52953 2
3 . . C 13 CO . 'not observed' 16 ppm . . . . . . 52953 2
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
1 $software_1 . . 52953 2
2 $software_2 . . 52953 2
3 $software_3 . . 52953 2
4 $software_4 . . 52953 2
5 $software_5 . . 52953 2
stop_
save_