Content for NMR-STAR saveframe, "chsqc-aliphatic"
save_chsqc-aliphatic
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode chsqc-aliphatic
_Spectral_peak_list.Entry_ID 27477
_Spectral_peak_list.ID 5
_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.Experiment_ID 3
_Spectral_peak_list.Experiment_name '2D 1H-13C HSQC aliphatic'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_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
;
label dataset sw sf
H1 C13
Itch-Clobe_chsqc-ali.nv
3845.90209961 12000.0
599.293029785 150.697006226
H1.L H1.P H1.W H1.B H1.E H1.J H1.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U vol int stat comment flag0
0 {797.HB1} 1.64735 0.03084 0.05514 ++ {0.0} {} {797.CB} 20.72516 0.21657 0.42463 ++ {0.0} {} 0.0 39.3130 0 {} 0
1 {803.HB1} 1.48037 0.02624 0.04844 ++ {0.0} {} {803.CB} 22.05559 0.22542 0.43031 ++ {0.0} {} 0.0 56.6949 0 {} 0
2 {893.HB1} 1.14381 0.03546 0.05506 ++ {0.0} {} {893.CB} 18.19923 0.32105 0.46302 ++ {0.0} {} 0.0 38.8053 0 {} 0
3 {843.HB1} 0.76421 0.02801 0.05194 ++ {0.0} {} {843.CB} 18.07081 0.24666 0.43108 ++ {0.0} {} 0.0 39.7495 0 {} 0
4 {897.HG21} 1.29160 0.02977 0.05133 ++ {0.0} {} {897.CG2} 21.63648 0.21727 0.40885 ++ {0.0} {} 0.0 100.0870 0 {} 0
5 {805.HG21} 1.14083 0.03228 0.04942 ++ {0.0} {} {805.CG2} 21.76488 0.35929 0.50003 ++ {0.0} {} 0.0 47.7858 0 {} 0
6 {834.HG21} 1.14183 0.02882 0.04958 ++ {0.0} {} {834.CG2} 20.02125 0.23732 0.44889 ++ {0.0} {} 0.0 75.4276 0 {} 0
7 {832.HG21} 1.37409 0.02990 0.04052 ++ {0.0} {} {832.CG2} 21.15061 0.26456 0.36376 ++ {0.0} {} 0.0 30.7645 0 {} 0
8 {870.HG21} 1.10830 0.03228 0.03855 ++ {0.0} {} {870.CG2} 21.69488 0.35929 0.41074 ++ {0.0} {} 0.0 47.7858 0 {} 0
9 {871.HB2} 2.62553 0.04370 0.09777 ++ {0.0} {} {871.CB} 26.89183 0.25165 0.48277 ++ {0.0} {} 0.0 7.2459 0 {} 0
10 {} 3.90319 0.04398 0.08075 ++ {0.0} {} {} 58.31954 0.26985 0.77674 ++ {0.0} {} 0.0 2.9540 0 {} 0
11 {} 3.90319 0.04398 0.08075 ++ {0.0} {} {} 58.31954 0.26985 0.77674 ++ {0.0} {} 0.0 2.9540 0 {} 0
12 {788.HG21} 1.03410 0.02191 0.04421 ++ {0.0} {} {788.CG2} 18.69260 0.24927 0.46060 ++ {0.0} {} 0.0 62.5964 0 {} 0
13 {788.HD11} 0.79813 0.02957 0.04953 ++ {0.0} {} {788.CD1} 13.67490 0.23655 0.45260 ++ {0.0} {} 0.0 70.6872 0 {} 0
14 {798.HG21} 0.84947 0.02949 0.04871 ++ {0.0} {} {798.CG2} 17.69087 0.21288 0.42889 ++ {0.0} {} 0.0 98.2296 0 {} 0
15 {798.HD11} 0.84211 0.02596 0.04986 ++ {0.0} {} {798.CD1} 12.91588 0.25646 0.48042 ++ {0.0} {} 0.0 92.3659 0 {} 0
16 {809.HG21} 0.74433 0.02788 0.04273 ++ {0.0} {} {809.CG2} 19.31073 0.19940 0.28522 ++ {0.0} {} 0.0 33.5258 0 {} 0
17 {809.HD11} -0.01844 0.03737 0.03745 ++ {0.0} {} {809.CD1} 8.47677 0.17278 0.17330 ++ {0.0} {} 0.0 19.1546 0 {} 0
18 {819.HG21} 0.37458 0.02515 0.04026 ++ {0.0} {} {819.CG2} 17.07560 0.19783 0.29755 ++ {0.0} {} 0.0 38.5107 0 {} 0
19 {819.HD11} 0.21454 0.03121 0.04187 ++ {0.0} {} {819.CD1} 12.78326 0.22025 0.29726 ++ {0.0} {} 0.0 29.3650 0 {} 0
20 {856.HD11} 0.07070 0.03563 0.04679 ++ {0.0} {} {856.CD1} 12.97928 0.17879 0.23854 ++ {0.0} {} 0.0 28.6816 0 {} 0
21 {856.HG21} 0.73724 0.02537 0.03202 ++ {0.0} {} {856.CG2} 19.90214 0.27398 0.32970 ++ {0.0} {} 0.0 23.9714 0 {} 0
22 {894.HG21} 0.79351 0.02833 0.04570 ++ {0.0} {} {894.CG2} 16.92176 0.22066 0.33819 ++ {0.0} {} 0.0 40.8615 0 {} 0
23 {894.HD11} 0.98339 0.03543 0.04985 ++ {0.0} {} {894.CD1} 14.52415 0.17900 0.26461 ++ {0.0} {} 0.0 36.6045 0 {} 0
24 {897.HG21} 1.30500 0.02143 0.04162 ++ {0.0} {} {897.CG2} 21.70060 0.21727 0.36647 ++ {0.0} {} 0.0 100.0870 0 {} 0
25 {816.HG11} -0.06055 0.03033 0.04896 ++ {0.0} {} {816.CG1} 23.02285 0.25030 0.44399 ++ {0.0} {} 0.0 48.9723 0 {} 0
26 {816.HG12} 0.63905 0.02447 0.04941 ++ {0.0} {} {816.CG2} 23.73035 0.18731 0.30664 ++ {0.0} {} 0.0 42.0943 0 {} 0
27 {831.HG11} 0.67228 0.02615 0.04676 ++ {0.0} {} {831.CG1} 22.31026 0.18551 0.29724 ++ {0.0} {} 0.0 38.4142 0 {} 0
28 {831.HG21} 1.46211 0.03446 0.04961 ++ {0.0} {} {831.CG2} 24.95169 0.22085 0.33727 ++ {0.0} {} 0.0 32.3054 0 {} 0
29 {839.HG21} 1.02983 0.02813 0.05567 ++ {0.0} {} {839.CG2} 21.49241 0.23027 0.52762 ++ {0.0} {} 0.0 202.1330 0 {} 0
30 {839.HG11} 0.95807 0.02321 0.05769 ++ {0.0} {} {839.CG1} 20.82369 0.22317 0.51897 ++ {0.0} {} 0.0 191.0100 0 {} 0
31 {859.HG21} 0.77638 0.02779 0.02856 ++ {0.0} {} {859.CG2} 20.71565 0.30320 0.31017 ++ {0.0} {} 0.0 15.6369 0 {} 0
32 {891.HG} 0.91306 0.03345 0.04209 ++ {0.0} {} {891.CG} 25.80539 0.24153 0.32019 ++ {0.0} {} 0.0 44.2476 0 {} 0
33 {891.HD11} 0.99613 0.03245 0.03884 ++ {0.0} {} {891.CD1} 22.73370 0.38190 0.45201 ++ {0.0} {} 0.0 43.3068 0 {} 0
34 {790.HD11} 0.98336 0.03120 0.04581 ++ {0.0} {} {790.CD1} 23.64128 0.35506 0.50019 ++ {0.0} {} 0.0 80.4076 0 {} 0
35 {790.HD21} 0.95603 0.02139 0.04605 ++ {0.0} {} {790.CD2} 24.38160 0.20234 0.37224 ++ {0.0} {} 0.0 118.1800 0 {} 0
36 {846.HE1} 2.02970 0.01732 0.04121 ++ {0.0} {} {846.CE} 16.79366 0.19328 0.54727 ++ {0.0} {} 0.0 -204.4790 0 {} 0
37 {810.HE1} 2.01146 0.01732 0.04121 ++ {0.0} {} {810.CE} 16.42249 0.19328 0.54727 ++ {0.0} {} 0.0 -204.4790 0 {} 0
38 {785.HE1} 2.11440 0.01982 0.04636 ++ {0.0} {} {785.CE} 17.08008 0.24541 0.55382 ++ {0.0} {} 0.0 -522.3780 0 {} 0
39 {825.HE1} 2.10983 0.01982 0.04636 ++ {0.0} {} {825.CE} 17.25683 0.24541 0.55382 ++ {0.0} {} 0.0 -522.3780 0 {} 0
40 {837.HD11} 0.04018 0.03216 0.06255 ++ {0.0} {} {837.CD1} 23.39497 0.18037 0.33727 ++ {0.0} {} 0.0 60.1236 0 {} 0
41 {837.CD2} 0.32396 0.03506 0.06479 ++ {0.0} {} {837.HD21} 25.68690 0.22681 0.48363 ++ {0.0} {} 0.0 47.3791 0 {} 0
42 {828.HD21} 0.74920 0.02657 0.04996 ++ {0.0} {} {828.CD2} 24.27414 0.35810 0.53110 ++ {0.0} {} 0.0 36.0124 0 {} 0
43 {828.HD11} 0.54282 0.03535 0.05952 ++ {0.0} {} {828.CD1} 25.59363 0.21764 0.39946 ++ {0.0} {} 0.0 26.8877 0 {} 0
44 {845.HD11} 1.07662 0.02769 0.04239 ++ {0.0} {} {845.CD1} 25.18075 0.25545 0.41228 ++ {0.0} {} 0.0 85.0256 0 {} 0
45 {845.HD21} 1.00250 0.02769 0.04239 ++ {0.0} {} {845.CD2} 25.11716 0.25545 0.41228 ++ {0.0} {} 0.0 85.0256 0 {} 0
46 {875.HD11} 1.11111 0.03039 0.04787 ++ {0.0} {} {875.CD1} 23.48293 0.35580 0.50102 ++ {0.0} {} 0.0 25.5270 0 {} 0
47 {875.HG} 0.89098 0.02877 0.06527 ++ {0.0} {} {875.CG} 27.75128 0.20908 0.40159 ++ {0.0} {} 0.0 19.2372 0 {} 0
48 {859.HG11} 0.86066 0.02942 0.04952 ++ {0.0} {} {859.CG1} 21.08926 0.19429 0.35289 ++ {0.0} {} 0.0 107.4310 0 {} 0
49 {861.HG2} 1.13879 0.02522 0.04896 ++ {0.0} {} {861.CG} 24.79656 0.20216 0.18332 ++ {0.0} {} 0.0 -7.1552 0 {} 0
50 {858.HG2} 0.83422 0.02903 0.05380 ++ {0.0} {} {858.CG} 24.04692 0.18323 0.34375 ++ {0.0} {} 0.0 74.8521 0 {} 0
51 {} 0.74612 0.03379 0.06695 ++ {0.0} {} {} 25.78984 0.25175 0.52041 ++ {0.0} {} 0.0 56.5291 0 {} 0
52 {827.CD1} 1.35159 0.02588 0.04863 ++ {0.0} {} {827.HD11} 23.82142 0.24487 0.46872 ++ {0.0} {} 0.0 44.5961 0 {} 0
53 {877.HG} 1.13293 0.03669 0.04371 ++ {0.0} {} {877.CG} 24.27343 0.34774 0.40636 ++ {0.0} {} 0.0 13.3344 0 {} 0
54 {877.HD11} 0.65573 0.04443 0.04490 ++ {0.0} {} {877.CD1} 26.09414 0.30116 0.30583 ++ {0.0} {} 0.0 9.9315 0 {} 0
55 {886.HD11} 0.56113 0.03535 0.05952 ++ {0.0} {} {886.CD1} 25.82910 0.21764 0.39946 ++ {0.0} {} 0.0 26.8877 0 {} 0
56 {827.HD21} 1.20329 0.03113 0.04730 ++ {0.0} {} {827.CD2} 27.69307 0.26022 0.42385 ++ {0.0} {} 0.0 36.3609 0 {} 0
57 {865.HG} 1.04270 0.02949 0.06295 ++ {0.0} {} {865.CG} 25.51691 0.25545 0.48986 ++ {0.0} {} 0.0 85.0256 0 {} 0
58 {} 0.98575 0.02640 0.05056 ++ {0.0} {} {} 25.31029 0.25203 0.53773 ++ {0.0} {} 0.0 126.9975 0 {} 0
59 {886.HG} 1.47281 0.03536 0.06710 ++ {0.0} {} {886.CG} 29.98240 0.21444 0.41588 ++ {0.0} {} 0.0 21.2955 0 {} 0
60 {837.HG} 1.16838 0.04156 0.04173 ++ {0.0} {} {837.CG} 26.46495 0.23647 0.23789 ++ {0.0} {} 0.0 4.0289 0 {} 0
;
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(N) 1 . 3845 Hz . . . . . . 27477 5
2 . . C 13 C 1 . 12000 Hz . . . . . . 27477 5
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 $NMRView . . 27477 5
stop_
save_