Content for NMR-STAR saveframe, spectral_peak_list_3
save_spectral_peak_list_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_3
_Spectral_peak_list.Entry_ID 51326
_Spectral_peak_list.ID 3
_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
K250HN-K250C-K250N 7.596 179.733 115.006 -1.40E+10 -4.75E+11 bx
K214HN-S213C-K214N 8.949 176.312 129.286 2.85E+12 3.62E+13 bx
K225HN-I224C-K225N 7.870 174.217 125.392 5.79E+12 7.79E+13 bx
E206HN-S205C-E206N 7.318 176.525 123.594 7.40E+12 1.07E+14 bx
E291HN-H290C-E291N 8.124 173.907 127.295 1.81E+13 2.76E+14 bx
L254HN-D253C-L254N 7.656 179.808 123.316 5.03E+12 7.64E+13 bx
I252HN-D251C-I252N 7.640 178.020 123.393 4.46E+12 5.92E+13 bx
I233HN-T232C-I233N 7.462 176.174 123.133 3.52E+12 5.44E+13 bx
A196HN-V195C-A196N 6.734 177.151 124.142 6.09E+12 8.99E+13 bx
D229HN-I228C-D229N 6.969 170.405 121.843 6.96E+12 9.01E+13 bx
Y220HN-D219C-Y220N 7.649 178.060 121.843 6.24E+12 8.23E+13 bx
D251HN-K250C-D251N 6.891 179.706 121.438 8.61E+12 1.05E+14 bx
F270HN-V269C-F270N 7.184 176.854 121.585 5.32E+12 6.85E+13 bx
A259HN-N258C-A259N 7.350 177.477 121.671 6.40E+12 8.57E+13 bx
Q209HN-F208C-Q209N 7.323 175.057 120.405 9.56E+12 1.20E+14 bx
L203HN-R202C-L203N 8.813 175.796 124.398 6.54E+12 8.98E+13 bx
I204HN-L203C-I204N 7.854 178.885 123.672 3.48E+12 4.38E+13 bx
N258HN-K257C-N258N 9.136 180.215 120.299 5.38E+12 7.76E+13 bx
I245HN-S244C-I245N 9.011 173.730 120.008 2.63E+12 3.79E+13 bx
I228HN-P227C-I228N 8.941 175.761 121.144 4.62E+12 5.95E+13 bx
D253HN-I252C-D253N 8.848 177.759 120.834 6.60E+12 8.99E+13 bx
S178HN-M177C-S178N 8.741 175.742 121.340 4.03E+12 4.97E+13 bx
M282HN-Y281C-M282N 8.700 179.701 122.167 6.62E+12 8.59E+13 bx
I276HN-S275C-I276N 8.437 175.332 122.554 4.78E+12 6.32E+13 bx
G201HN-S200C-G201N 8.514 174.894 109.984 7.68E+12 9.56E+13 bx
S205HN-I204C-S205N 9.152 177.069 111.925 3.82E+12 4.62E+13 bx
T197HN-A196C-T197N 8.561 178.186 112.595 6.45E+12 8.31E+13 bx
L207HN-E206C-L207N 9.078 178.850 116.507 6.10E+12 8.63E+13 bx
D219HN-P218C-D219N 9.033 179.806 117.125 7.60E+12 1.16E+14 bx
L230HN-D229C-L230N 8.918 175.731 116.083 3.11E+12 4.85E+13 bx
S213HN-P212C-S213N 8.967 176.804 117.327 2.55E+12 3.26E+13 bx
E187HN-L186C-E187N 8.656 179.871 116.893 7.06E+12 8.89E+13 bx
N239HN-Q238C-N239N 8.397 177.848 114.502 9.48E+12 1.22E+14 bx
Y281HN-F280C-Y281N 8.490 176.224 116.063 4.34E+12 6.05E+13 bx
S241HN-G240C-S241N 8.324 175.439 115.193 8.68E+12 1.10E+14 bx
G266HN-P265C-G266N 7.371 176.863 107.094 1.99E+12 2.57E+13 bx
G240HN-N239C-G240N 7.575 176.680 107.620 6.68E+12 9.71E+13 bx
V195HN-V194C-V195N 7.739 176.861 110.309 7.09E+12 9.03E+13 bx
S244HN-K243C-S244N 7.661 175.347 110.191 7.94E+12 1.02E+14 bx
S200HN-P199C-S200N 7.644 177.276 110.538 1.99E+12 2.44E+13 bx
M248HN-A247C-M248N 6.569 179.381 117.585 3.74E+12 5.87E+13 bx
R202HN-G201C-R202N 7.581 173.603 120.750 8.65E+12 1.11E+14 bx
A222HN-?-A222N 7.515 175.852 121.076 6.60E+12 1.01E+14 bx
Y221HN-Y220C-Y221N 6.902 175.855 113.915 4.55E+12 6.50E+13 bx
I193HN-A192C-I193N 7.213 179.841 113.160 7.60E+12 9.68E+13 bx
I223HN-A222C-I223N 7.080 178.332 115.729 7.92E+12 1.06E+14 bx
K277HN-I276C-K277N 7.365 176.472 118.431 5.99E+12 7.83E+13 bx
N263HN-Y262C-N263N 7.523 174.342 113.374 7.42E+12 9.49E+13 bx
K250HN-A249C-K250N 7.596 177.887 115.006 8.23E+12 1.10E+14 bx
Q216HN-?-Q216N 7.132 177.361 117.320 6.12E+12 8.72E+13 bx
V215HN-K214C-V215N 7.589 177.314 115.756 8.11E+12 1.03E+14 bx
Y181HN-?-Y181N 7.460 179.220 114.674 6.51E+12 8.42E+13 bx
E184HN-K183C-E184N 7.363 177.347 116.310 1.02E+13 1.30E+14 bx
A192HN-E191C-A192N 7.387 177.049 116.496 8.73E+12 1.16E+14 bx
E286HN-A285C-E286N 7.566 179.569 118.042 5.53E+12 7.99E+13 bx
Y217HN-Q216C-Y217N 7.953 175.611 115.243 9.36E+12 1.18E+14 bx
V194HN-I193C-V194N 8.233 178.133 115.946 5.13E+12 6.78E+13 bx
V269HN-?-V269N 8.171 177.785 116.592 5.99E+12 8.58E+13 bx
E264HN-N263C-E264N 8.693 173.426 118.868 1.08E+13 1.30E+14 bx
T232HN-K231C-T232N 8.705 179.422 119.080 4.47E+12 6.60E+13 bx
L186HN-I185C-L186N 8.724 178.173 119.784 5.21E+12 6.97E+13 bx
S275HN-N274C-S275N 8.523 178.763 118.818 6.25E+12 8.70E+13 bx
K257HN-A256C-K257N 8.582 178.113 120.265 7.80E+12 1.01E+14 bx
I279HN-K278C-I279N 8.618 179.132 119.760 4.05E+12 6.15E+13 bx
A180HN-P179C-A180N 8.261 177.403 122.120 5.44E+12 7.18E+13 bx
K183HN-L182C-K183N 7.888 177.747 117.665 7.88E+12 1.03E+14 bx
I185HN-E184C-I185N 7.745 179.700 120.051 8.18E+12 1.09E+14 bx
Q188HN-E187C-Q188N 7.919 180.206 120.504 9.88E+12 1.25E+14 bx
L189HN-Q188C-L189N 8.110 179.741 122.289 5.80E+12 8.52E+13 bx
L190HN-L189C-L190N 8.135 177.563 117.434 5.76E+12 7.38E+13 bx
E191HN-L190C-E191N 8.448 178.463 119.357 6.99E+12 9.69E+13 bx
N198HN-T197C-N198N 8.524 175.013 120.735 5.35E+12 7.50E+13 bx
A234HN-I233C-A234N 8.517 177.345 120.735 5.60E+12 8.22E+13 bx
F208HN-L207C-F208N 7.904 176.620 115.988 6.13E+12 8.90E+13 bx
S267HN-G266C-S267N 7.921 174.263 116.034 5.85E+12 8.82E+13 bx
K210HN-?-K210N 7.826 175.032 114.386 1.11E+13 1.64E+14 bx
E226HN-K225C-E226N 8.417 177.289 119.263 1.08E+13 1.38E+14 bx
K231HN-L230C-K231N 8.248 179.428 122.713 7.81E+12 9.34E+13 bx
Q235HN-A234C-Q235N 8.054 180.630 117.047 5.73E+12 7.61E+13 bx
R236HN-?-R236N 8.115 178.105 120.885 5.18E+12 7.08E+13 bx
Q238HN-I237C-Q238N 7.818 179.239 117.692 5.01E+12 8.36E+13 bx
I237HN-R236C-I237N 7.952 178.688 119.346 4.59E+12 6.41E+13 bx
H246HN-I245C-H246N 8.073 177.852 119.564 1.66E+12 2.09E+13 bx
A247HN-H246C-A247N 7.756 176.576 120.493 5.26E+12 7.74E+13 bx
L255HN-L254C-L255N 8.156 176.663 121.249 3.19E+12 5.18E+13 bx
L255HN-L254C-L255N 8.153 176.677 121.400 4.31E+12 5.96E+13 bx
T261HN-K260C-T261N 7.979 176.226 115.911 6.29E+12 8.47E+13 bx
K278HN-K277C-K278N 8.099 177.340 118.666 5.83E+12 7.78E+13 bx
A273HN-?-A273N 8.200 180.283 120.094 4.65E+12 6.80E+13 bx
F280HN-I279C-F280N 8.262 178.287 119.523 5.84E+12 7.19E+13 bx
K283HN-M282C-K283N 8.352 178.184 120.522 1.01E+12 2.93E+13 bx
H289HN-E288C-H289N 7.791 176.628 117.722 6.39E+12 8.26E+13 bx
E288HN-I287C-E288N 8.203 177.997 119.284 5.30E+12 7.53E+13 bx
I287HN-E286C-I287N 7.885 178.819 117.098 6.56E+12 8.45E+13 bx
A285HN-?-A285N 7.471 176.958 118.966 6.93E+12 8.91E+13 bx
K284HN-?-K284N 8.138 178.337 121.221 5.27E+12 6.90E+13 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 1H . aliased 16 ppm . . . . . . 51326 3
2 . . 15N 15 15N . aliased 30 ppm . . . . . . 51326 3
3 . . 13C 13 CO . aliased 20 ppm . . . . . . 51326 3
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 . . 51326 3
2 $software_2 . . 51326 3
3 $software_3 . . 51326 3
stop_
save_