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 53993
_Spectral_peak_list.ID 3
_Spectral_peak_list.Name spectral_peak_list_2to1
_Spectral_peak_list.Sample_ID 3
_Spectral_peak_list.Sample_label $sample_3
_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 6
_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 175.681 126.834 8.578 4.50e+11 ga 24053626880
K298C-H299N-H 175.867 123.310 8.574 6.69e+11 ga 32940613632
H299C-V300N-H 174.825 124.719 8.291 2.66e+12 ga 95231213568
P301C-G302N-H 177.728 110.834 8.785 5.93e+12 ga 87580409856
G302C-G303N-H 174.973 108.907 8.451 3.58e+12 ga 238221754368
G303C-G304N-H 175.028 109.001 8.487 1.38e+13 ga 305272061952
G304C-S305N-H 174.156 115.830 8.369 7.32e+12 ga 303846424576
S305C-V306N-H 174.559 122.269 8.328 7.98e+12 ga 284578807808
V306C-Q307N-H 175.993 125.319 8.593 4.34e+12 ga 131964207104
Q307C-I308N-H 175.693 124.389 8.366 1.02e+11 ga 2441620480
I308C-V309N-H 175.032 125.281 8.311 3.48e+12 ga 134632759296
V309C-Y310N-H 175.498 126.794 8.621 2.66e+12 ga 61306609664
Y310C-K311N-H 175.783 126.424 8.363 1.02e+12 ga 38713184256
P312C-V313N-H 176.894 121.112 8.342 2.87e+12 ga 97526128640
V313C-D314N-H 175.659 124.788 8.537 2.33e+12 ga 65494999040
D314C-L315N-H 176.743 125.896 8.714 3.73e+12 ga 90946420736
L315C-S316N-H 178.145 116.355 8.528 4.71e+11 ga 13160400896
S316C-K317N-H 175.048 122.145 8.046 9.74e+11 ga 25358880768
K317C-V318N-H 176.712 121.171 8.011 1.15e+12 ga 24443598848
V318C-T319N-H 176.627 118.102 8.385 6.54e+12 ga 7435335168
T319C-S320N-H 175.944 118.745 8.390 8.19e+12 ga 360682160128
S320C-K321N-H 174.710 123.624 8.583 4.75e+11 ga 7646023680
K321C-C322N-H 176.113 120.187 8.467 2.33e+12 ga 60294381568
C322C-G323N-H 175.378 111.154 8.607 7.10e+11 ga 9644498944
G323C-S324N-H 176.604 116.190 8.385 2.05e+12 ga 44469436416
S324C-L325N-H 176.186 124.078 8.520 6.84e+12 ga 296094859264
L325C-G326N-H 178.014 108.958 8.439 3.39e+11 ga 9214694400
G326C-N327N-H 176.495 118.900 8.377 1.35e+12 ga 53795594240
N327C-I328N-H 175.429 120.790 8.134 3.47e+12 ga 104205205504
I328C-H329N-H 175.912 123.228 8.427 3.80e+11 ga 7639119872
H329C-H330N-H 176.894 121.112 8.342 2.87e+12 ga 97526128640
H330C-K331N-H 175.605 124.851 8.447 5.54e+12 ga 173282689024
P332C-G333N-H 177.730 110.835 8.785 6.04e+12 ga 87580409856
G333C-G334N-H 174.895 109.007 8.491 3.32e+13 ga 145277648896
G334C-G335N-H 174.895 109.007 8.491 3.32e+13 ga 145277648896
G335C-Q336N-H 174.048 120.072 8.395 8.97e+12 ga 402394120192
Q336C-V337N-H 176.030 122.295 8.372 8.15e+12 ga 349041131520
V337C-E338N-H 176.022 126.027 8.655 4.37e+12 ga 184120410112
E338C-V339N-H 176.548 123.695 8.447 4.54e+11 ga 9396815872
V339C-K340N-H 176.172 126.842 8.661 9.85e+11 ga 42391609344
K340C-S341N-H 176.508 118.100 8.542 1.50e+12 ga 62940962816
S341C-E342N-H 174.593 123.757 8.670 6.05e+12 ga 212283408384
E342C-K343N-H 176.356 122.665 8.465 2.00e+12 ga 81064460288
K343C-L344N-H 176.533 123.982 8.385 2.13e+12 ga 57957711872
L344C-D345N-H 176.892 121.503 8.448 8.92e+11 ga 31263047680
D345C-F346N-H 176.134 121.513 8.334 5.80e+12 ga 209322147840
F346C-K347N-H 175.351 122.210 8.337 2.50e+11 ga 3212357632
K347C-D348N-H 176.346 120.328 8.257 1.82e+12 ga 63826649088
D348C-R349N-H 176.183 121.146 8.137 2.33e+12 ga 94554996736
R349C-V350N-H 174.978 121.768 8.249 6.16e+11 ga 11597045760
V350C-Q351N-H 176.486 124.821 8.645 3.04e+12 ga 118386098176
Q351C-S352N-H 176.104 117.967 8.500 5.27e+12 ga 199788609536
S352C-K353N-H 174.536 123.733 8.527 1.55e+12 ga 56757874688
K353C-I354N-H 176.506 122.138 8.312 1.88e+12 ga 75269685248
I354C-G355N-H 176.970 113.895 8.679 1.22e+12 ga 47390212096
G355C-S356N-H 174.194 115.751 8.284 6.90e+12 ga 305627070464
S356C-L357N-H 175.025 124.230 8.557 7.13e+12 ga 331334057984
L357C-D358N-H 177.330 120.385 8.299 1.40e+12 ga 61329489920
D358C-N359N-H 173.774 118.813 8.361 2.84e+12 ga 76449890304
N359C-I360N-H 175.161 121.070 8.177 7.21e+12 ga 316836282368
I360C-T361N-H 176.538 118.323 8.372 1.63e+12 ga 40262180864
T361C-H362N-H 174.096 123.533 8.481 2.08e+12 ga 63538974720
H362C-V363N-H 173.737 124.398 8.279 6.86e+12 ga 297556574208
P364C-G365N-H 177.737 110.504 8.761 2.18e+12 ga 65847635968
G365C-G366N-H 174.737 109.075 8.522 8.26e+11 ga 20842571776
G366C-G367N-H 174.563 108.968 8.493 5.80e+11 ga 12417357824
G367C-N368N-H 173.971 118.688 8.473 4.81e+12 ga 172013174784
N368C-K369N-H 175.319 122.180 8.429 1.53e+12 ga 41415819264
K369C-K370N-H 176.461 123.779 8.510 2.36e+11 ga 3372760576
K370C-I371N-H 175.076 123.550 8.348 3.68e+11 ga 13193177088
I371C-E372N-H 176.317 126.334 8.692 7.83e+11 ga 15892070400
E372C-T373N-H 175.737 115.836 8.342 2.17e+11 ga 6590258688
T373C-H374N-H 174.518 122.124 8.485 7.70e+11 ga 8145459200
H374C-K375N-H 176.745 122.772 8.306 2.11e+12 ga 101651382272
K375C-L376N-H 177.036 123.518 8.440 916383872
L376C-T377N-H 177.551 115.023 8.192 5.04e+11 ga 5625385984
T377C-F378N-H 174.187 123.063 8.419 8.46e+12 ga 30713542656
F378C-R379N-H 175.649 123.414 8.280 1833255552
R379C-E380N-H 176.038 122.393 8.497 4.43e+11 ga 10137618432
E380C-N381N-H 176.513 120.004 8.611 1.24e+12 ga 33873932288
N381C-A382N-H 175.203 124.548 8.349 1.16e+12 ga 33988278272
A382C-K383N-H 177.926 120.570 8.315 5.74e+11 ga 17718235136
K383C-A384N-H 176.553 125.388 8.349 4.20e+11 ga 14435721216
A384C-K385N-H 177.915 121.270 8.471 6.82e+11 ga 19911393280
K385C-T386N-H 176.984 115.064 8.275 6.70e+11 ga 25036406784
T386C-D387N-H 174.215 122.755 8.427 4.28e+12 ga 134866419712
D387C-H388N-H 176.860 119.509 8.603 1.93e+11 ga 2451662336
H388C-G389N-H 175.839 110.362 8.538 2.36e+12 ga 53311045632
G389C-A390N-H 173.983 125.013 8.338 8.93e+10 ga 2528079104
A390C-E391N-H 176.996 125.571 8.138 9.88e+12 ga 345660522496
;
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 3
2 . . N 15 N . 'not observed' 20.7660 ppm . . . . . . 53993 3
3 . . H 1 H . 'not observed' 8.3678 ppm . . . . . . 53993 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 . . 53993 3
2 $software_2 . . 53993 3
3 $software_3 . . 53993 3
4 $software_4 . . 53993 3
stop_
save_