Content for NMR-STAR saveframe, spectral_peak_list_4
save_spectral_peak_list_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_4
_Spectral_peak_list.Entry_ID 51329
_Spectral_peak_list.ID 4
_Spectral_peak_list.Name HNCO
_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 4
_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 Height Volume
M499HN-M499N-S498C 8.497 122.258 178.476 5.45E+07 1.18E+09 bx
K513HN-K513N-R512C 8.340 122.258 176.155 4.83E+07 1.07E+09 bx
I500HN-I500N-M499C 8.092 121.731 176.837 5.19E+08 1.09E+10 bx
S501HN-S501N-I500C 8.377 119.885 176.798 8.62E+07 1.93E+09 bx
A503HN-A503N-S502C 8.348 125.823 178.672 5.07E+07 1.15E+09 bx
T504HN-T504N-A503C 8.097 112.494 175.030 1.05E+08 2.26E+09 bx
T507HN-T507N-D506C 8.204 114.416 176.332 4.28E+07 9.36E+08 bx
S505HN-S505N-T504C 8.235 117.699 178.357 2.07E+07 4.51E+08 bx
D506HN-D506N-S505C 8.417 122.691 178.857 4.09E+07 9.10E+08 bx
G508HN-G508N-T507C 8.524 111.098 177.362 3.76E+07 8.32E+08 bx
A510HN-A510N-S509C 8.322 125.656 178.058 1.44E+07 3.44E+08 bx
K511HN-K511N-A510C 8.152 119.695 174.594 1.07E+08 2.36E+09 bx
R512HN-R512N-K511C 8.151 121.363 175.867 9.47E+07 2.09E+09 bx
H573HN-H573N-E572C 7.255 121.732 173.490 5.81E+07 1.31E+09 bx
V530HN-V530N-V529C 6.760 118.215 175.312 6.18E+07 1.37E+09 bx
D567HN-D567N-M566C 7.571 123.257 180.278 5.28E+07 1.18E+09 bx
M566HN-M566N-P565C 8.626 118.678 177.904 5.17E+07 1.14E+09 bx
I562HN-I562N-I561C 8.096 122.169 178.014 6.28E+07 1.44E+09 bx
I561HN-I561N-K560C 6.935 116.469 176.298 6.13E+07 1.36E+09 bx
K560HN-K560N-Y559C 7.380 118.095 177.124 6.73E+07 1.52E+09 bx
Y558HN-Y558N-D557C 7.805 122.280 174.594 5.74E+07 1.27E+09 bx
Y559HN-Y559N-Y558C 7.157 113.080 176.960 3.93E+07 8.78E+08 bx
D557HN-D557N-P556C 8.808 116.671 173.131 1.26E+08 2.78E+09 bx
Y555HN-Y555N-D554C 8.305 124.458 174.424 4.86E+07 1.09E+09 bx
D554HN-D554N-K553C 7.919 117.707 174.603 6.48E+07 1.46E+09 bx
S551HN-S551N-P550C 9.029 118.249 176.312 6.91E+07 1.51E+09 bx
R595HN-R595N-F594C 8.889 121.928 175.709 4.54E+07 1.01E+09 bx
L641HN-L641N-N640C 8.000 121.928 178.157 5.82E+08 1.22E+10 bx
G604HN-G604N-E603C 6.949 111.858 176.176 3.65E+07 8.22E+08 bx
E602HN-E602N-N601C 8.555 117.280 179.850 8.49E+07 1.86E+09 bx
E603HN-E603N-E602C 8.713 125.433 175.727 1.10E+08 2.40E+09 bx
N601HN-N601N-Y600C 7.426 113.725 178.101 6.15E+07 1.37E+09 bx
Y600HN-Y600N-H599C 8.213 115.671 176.019 2.65E+07 5.82E+08 bx
H599HN-H599N-R598C 7.976 120.278 175.144 4.67E+07 1.03E+09 bx
R598HN-R598N-A597C 7.291 115.522 173.936 4.68E+07 1.06E+09 bx
A597HN-A597N-N596C 7.664 120.896 175.644 3.00E+07 7.12E+08 bx
N596HN-N596N-R595C 9.006 119.632 173.228 4.57E+07 1.01E+09 bx
M590HN-M590N-D589C 7.693 115.942 179.988 1.09E+08 2.41E+09 bx
D589HN-D589N-E588C 7.717 113.519 175.656 6.59E+07 1.45E+09 bx
E588HN-E588N-I587C 8.208 119.402 174.619 3.35E+07 8.83E+08 bx
I587HN-I587N-M586C 8.544 121.489 175.081 3.31E+07 7.75E+08 bx
E583HN-E583N-G582C 9.392 118.116 180.006 3.21E+07 7.25E+08 bx
G582HN-G582N-A581C 7.507 124.022 175.347 -1.12E+08 -2.44E+09 bx
G585HN-G585N-E584C 7.913 128.984 174.120 -3.66E+07 -8.51E+08 bx
N577HN-N577N-R576C 8.680 120.559 175.081 5.94E+07 1.32E+09 bx
R576HN-R576N-I575C 8.852 120.666 175.156 4.35E+07 9.79E+08 bx
S605HN-S605N-G604C 7.837 115.437 178.880 7.11E+07 1.57E+09 bx
Q606HN-Q606N-S605C 8.890 123.444 178.484 1.75E+07 3.95E+08 bx
V607HN-V607N-Q606C 8.359 116.551 175.176 6.19E+07 1.36E+09 bx
H612HN-H612N-A611C 8.469 119.800 175.365 5.88E+07 1.25E+09 bx
N609HN-N609N-Y608C 8.265 117.736 175.794 4.45E+07 1.02E+09 bx
D610HN-D610N-N609C 9.392 123.063 174.488 6.94E+07 1.52E+09 bx
Y608HN-Y608N-V607C 7.048 121.208 176.443 2.26E+07 5.14E+08 bx
Q644HN-Q644N-F643C 7.745 126.070 178.593 1.99E+09 4.22E+10 bx
F643HN-F643N-Y642C 7.976 121.140 177.834 6.59E+08 1.39E+10 bx
Y642HN-Y642N-L641C 7.942 119.358 176.308 7.40E+08 1.60E+10 bx
N640HN-N640N-E639C 8.302 118.877 176.867 2.07E+08 4.58E+09 bx
E639HN-E639N-A638C 8.283 119.346 175.138 5.21E+08 1.09E+10 bx
A638HN-A638N-P637C 8.304 123.811 176.237 5.20E+08 1.09E+10 bx
K623HN-K623N-R622C 7.552 119.633 174.649 6.63E+07 1.45E+09 bx
R622HN-R622N-K621C 8.059 119.400 174.545 4.88E+07 1.09E+09 bx
K621HN-K621N-E620C 8.259 118.137 173.879 5.01E+07 1.12E+09 bx
E620HN-E620N-K619C 8.523 119.720 172.924 7.64E+07 1.70E+09 bx
K619HN-K619N-L618C 7.914 118.657 175.129 4.28E+07 9.97E+08 bx
L618HN-L618N-L617C 8.073 120.533 173.040 5.17E+07 1.17E+09 bx
E615HN-E615N-L614C 7.767 118.726 176.077 2.43E+07 5.70E+08 bx
L614HN-L614N-I613C 7.732 125.413 178.923 6.15E+07 1.38E+09 bx
S636HN-S636N-A635C 8.260 116.495 175.525 2.79E+08 6.21E+09 bx
A635HN-A635N-M634C 8.175 124.576 177.054 4.39E+08 9.17E+09 bx
M634HN-M634N-D633C 8.214 119.984 176.577 5.95E+08 1.25E+10 bx
D631HN-D631N-D630C 8.304 120.494 176.901 6.19E+08 1.35E+10 bx
D630HN-D630N-P629C 8.442 120.964 176.754 2.80E+08 6.04E+09 bx
L628HN-L628N-P627C 8.545 124.249 176.075 1.71E+08 3.71E+09 bx
G626HN-G626N-L625C 7.386 126.623 174.218 -1.13E+08 -2.50E+09 bx
K520HN-K520N-R519C 7.644 119.439 173.921 7.48E+07 1.64E+09 bx
R519HN-R519N-I518C 7.104 118.308 175.353 4.73E+07 1.04E+09 bx
Q521HN-Q521N-K520C 7.736 119.974 174.063 7.86E+07 1.76E+09 bx
R522HN-R522N-Q521C 9.637 121.425 176.678 6.60E+07 1.49E+09 bx
I525HN-I525N-K524C 9.464 124.574 172.440 2.71E+07 6.19E+08 bx
F527HN-F527N-L526C 8.528 118.981 176.064 3.98E+07 9.10E+08 bx
V529HN-V529N-N528C 7.726 119.243 175.722 9.39E+07 2.09E+09 bx
N528HN-N528N-F527C 8.454 115.874 175.682 6.05E+07 1.32E+09 bx
L531HN-L531N-V530C 7.547 119.387 176.561 5.17E+07 1.18E+09 bx
E532HN-E532N-L531C 7.885 112.441 174.099 7.03E+07 1.56E+09 bx
A533HN-A533N-E532C 6.795 122.548 175.608 1.30E+08 2.82E+09 bx
C543HN-C543N-L542C 9.788 113.873 174.200 3.67E+07 8.24E+08 bx
R534HN-R534N-A533C 8.662 122.634 174.817 7.43E+07 1.66E+09 bx
E535HN-E535N-R534C 9.114 126.900 177.234 3.93E+07 8.80E+08 bx
S538HN-S538N-G537C 8.069 117.183 177.687 5.12E+07 1.16E+09 bx
G539HN-G539N-S538C 8.228 111.610 176.272 3.15E+07 7.58E+08 bx
D544HN-D544N-C543C 7.333 123.555 175.815 1.19E+08 2.66E+09 bx
L545HN-L545N-D544C 8.717 116.709 174.069 8.07E+07 1.80E+09 bx
F546HN-F546N-L545C 8.121 117.200 176.311 5.33E+07 1.22E+09 bx
M547HN-M547N-F546C 8.214 121.246 174.383 2.17E+07 5.49E+08 bx
V548HN-V548N-M547C 7.744 115.958 174.691 5.05E+07 1.13E+09 bx
K549HN-K549N-V548C 7.944 118.186 175.723 4.64E+07 1.04E+09 bx
I575HN-I575N-N574C 7.698 119.838 174.603 2.85E+07 6.41E+08 bx
K591HN-K591N-M590C 8.254 114.595 177.399 7.00E+07 1.57E+09 bx
;
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 . . 1H 1 H . aliased 16 ppm . . . . . . 51329 4
2 . . 15N 15 N . folded 30 ppm . . . . . . 51329 4
3 . . 13C 13 CO . aliased 20 ppm . . . . . . 51329 4
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 . . 51329 4
2 $software_2 . . 51329 4
3 $software_3 . . 51329 4
stop_
save_