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 53993
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name spectral_peak_list_clean
_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 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 .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
Assignment w1 w2 w3 Volume Data Height
I297C-K298N-H 176.507 126.665 8.571 1.58e+12 ga 82316623872
K298C-H299N-H 176.680 123.161 8.564 2.58e+12 ga 133543821312
H299C-V300N-H 175.660 124.557 8.280 1.60e+13 ga 545821917184
P301C-G302N-H 178.546 110.675 8.779 1.99e+13 ga 289858912256
G302C-G303N-H 175.785 108.730 8.445 1.32e+13 ga 854811475968
G303C-G304N-H 175.838 108.838 8.481 4.38e+13 ga 1173501771776
G304C-S305N-H 174.969 115.653 8.362 2.43e+13 ga 921964707840
S305C-V306N-H 175.370 122.099 8.323 2.71e+13 ga 1041634689024
V306C-Q307N-H 176.806 125.152 8.587 1.50e+13 ga 517745672192
Q307C-I308N-H 176.456 124.211 8.375 2.34e+12 ga 11621898240
I308C-V309N-H 175.864 125.128 8.302 1.23e+13 ga 577008173056
V309C-Y310N-H 176.309 126.617 8.616 8.93e+12 ga 247883366400
Y310C-K311N-H 176.594 126.259 8.359 3.47e+12 ga 137219997696
P312C-V313N-H 177.662 120.845 8.293 1.03e+12 ga 25845946368
V313C-D314N-H 176.471 124.618 8.532 6.81e+12 ga 244088487936
D314C-L315N-H 177.558 125.737 8.711 1.33e+13 ga 350130733056
L315C-S316N-H 178.959 116.181 8.524 1.42e+12 ga 49278504960
S316C-K317N-H 175.864 121.970 8.040 3.54e+12 ga 108373295104
K317C-V318N-H 177.526 121.011 8.006 4.35e+12 ga 112796557312
V318C-T319N-H 177.442 117.924 8.378 1.50e+12 ga 33656907776
T319C-S320N-H 176.754 118.569 8.382 3.05e+13 ga 1428025769984
S320C-K321N-H 175.521 123.449 8.578 1.40e+12 ga 29013946368
K321C-C322N-H 176.925 120.040 8.453 1.37e+13 ga 512814710784
C322C-G323N-H 176.190 110.982 8.603 2.92e+12 ga 56736292864
G323C-S324N-H 177.429 116.017 8.381 2.24e+13 ga 915110297600
S324C-L325N-H 177.000 123.916 8.516 2.52e+13 ga 1206362963968
L325C-G326N-H 178.829 108.778 8.431 1.50e+12 ga 46155603968
G326C-N327N-H 177.307 118.733 8.371 5.57e+12 ga 250701135872
N327C-I328N-H 176.242 120.617 8.129 1.45e+13 ga 512621019136
I328C-H329N-H 176.727 123.080 8.417 8.50e+11 ga 43049205760
H329C-H330N-H 177.707 120.944 8.337 1.02e+13 ga 362080698368
H330C-K331N-H 176.414 124.684 8.442 1.66e+13 ga 671504924672
P332C-G333N-H 178.548 110.660 8.780 1.97e+13 ga 355435741184
G333C-G334N-H 175.703 108.850 8.484 1.08e+14 ga 575978536960
G334C-G335N-H 175.683 108.821 8.485 1.05e+14 ga 975074230272
G335C-Q336N-H 174.859 119.896 8.389 2.99e+13 ga 1387910135808
Q336C-V337N-H 176.842 122.129 8.367 2.67e+13 ga 1427695206400
V337C-E338N-H 176.835 125.861 8.649 1.55e+13 ga 711623770112
E338C-V339N-H 177.356 123.520 8.439 7.62e+12 ga 326693355520
V339C-K340N-H 176.987 126.679 8.655 3.63e+12 ga 179627327488
K340C-S341N-H 177.321 117.929 8.536 5.37e+12 ga 244076642304
S341C-E342N-H 175.404 123.589 8.664 2.08e+13 ga 976223469568
E342C-K343N-H 177.169 122.498 8.462 7.19e+12 ga 334179205120
K343C-L344N-H 177.339 123.739 8.378 1.54e+13 ga 192572063744
L344C-D345N-H 177.703 121.332 8.442 3.75e+12 ga 156928098304
D345C-F346N-H 176.946 121.352 8.330 2.85e+13 ga 1172520828928
F346C-K347N-H 176.162 122.043 8.329 6.66e+11 ga 13369939968
K347C-D348N-H 177.159 120.152 8.252 7.57e+12 ga 311190716416
D348C-R349N-H 176.996 120.972 8.130 1.09e+13 ga 460661555200
R349C-V350N-H 175.805 121.617 8.238 1.97e+12 ga 65053532160
V350C-Q351N-H 177.297 124.657 8.639 1.20e+13 ga 524480413696
Q351C-S352N-H 176.915 117.801 8.495 1.84e+13 ga 874228350976
S352C-K353N-H 175.349 123.559 8.521 6.66e+12 ga 261521489920
K353C-I354N-H 177.315 121.972 8.307 6.33e+12 ga 336086630400
I354C-G355N-H 177.783 113.722 8.672 4.63e+12 ga 206409465856
G355C-S356N-H 175.005 115.574 8.277 2.41e+13 ga 1232244703232
S356C-L357N-H 175.838 124.051 8.550 2.43e+13 ga 1295305146368
L357C-D358N-H 178.143 120.208 8.291 5.53e+12 ga 284385673216
D358C-N359N-H 174.585 118.639 8.355 1.02e+13 ga 346060095488
N359C-I360N-H 175.973 120.897 8.170 2.83e+13 ga 1422727053312
I360C-T361N-H 177.353 118.165 8.368 6.03e+12 ga 166330892288
T361C-H362N-H 174.903 123.401 8.469 8.17e+12 ga 334748811264
H362C-V363N-H 174.546 124.211 8.267 3.20e+13 ga 2053633212416
P364C-G365N-H 178.551 110.324 8.754 7.48e+12 ga 267369152512
G365C-G366N-H 175.552 108.900 8.516 1.47e+12 ga 67578200064
G366C-G367N-H 175.374 108.781 8.488 1.95e+12 ga 50757378048
G367C-N368N-H 174.790 118.509 8.466 1.76e+13 ga 826880491520
N368C-K369N-H 176.145 121.993 8.421 7.53e+12 ga 350847696896
K369C-K370N-H 177.328 123.497 8.480 2.73e+12 ga 120778973184
K370C-I371N-H 175.884 123.362 8.339 1.13e+12 ga 43251662848
I371C-E372N-H 177.141 126.159 8.688 5.03e+12 ga 251439464448
E372C-T373N-H 176.544 115.647 8.334 6.04e+11 ga 26675146752
T373C-H374N-H 175.355 121.975 8.473 5.61e+12 ga 182416310272
H374C-K375N-H 177.558 122.604 8.300 7.64e+12 ga 465228070912
K375C-L376N-H 177.630 123.395 8.428 2.32e+11 ga 8553280000
L376C-T377N-H 178.369 114.838 8.187 3.60e+12 ga 153875054592
T377C-F378N-H 174.998 122.894 8.413 2.09e+13 ga 962538242048
F378C-R379N-H 176.464 123.278 8.278 2.08e+12 ga 74895654912
R379C-E380N-H 176.842 122.219 8.489 6.71e+12 ga 376514052096
E380C-N381N-H 177.324 119.838 8.606 2.16e+13 ga 1053573513216
N381C-A382N-H 176.017 124.379 8.345 1.65e+13 ga 940040060928
A382C-K383N-H 178.735 120.409 8.310 7.47e+12 ga 432226041856
K383C-A384N-H 177.359 125.230 8.346 6.50e+12 ga 372278296576
A384C-K385N-H 178.726 121.104 8.468 7.87e+12 ga 409292275712
K385C-T386N-H 177.798 114.906 8.270 8.55e+12 ga 525403127808
T386C-D387N-H 175.032 122.581 8.422 3.44e+13 ga 1841348870144
D387C-H388N-H 177.664 119.330 8.591 1.02e+12 ga 13745436672
H388C-G389N-H 176.689 110.202 8.529 1.25e+13 ga 480069681152
G389C-A390N-H 174.772 124.804 8.268 3.88e+11 ga 7618759168
A390C-E391N-H 177.807 125.407 8.137 4.25e+13 ga 3168932986880
;
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 . . C 13 C . 'not observed' 20.2349 ppm . . . . . . 53993 1
2 . . N 15 N . 'not observed' 20.7660 ppm . . . . . . 53993 1
3 . . H 1 H . 'not observed' 8.3678 ppm . . . . . . 53993 1
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 . . 53993 1
2 $software_2 . . 53993 1
3 $software_3 . . 53993 1
4 $software_4 . . 53993 1
stop_
save_