Content for NMR-STAR saveframe, "chsqc-aromatic"
save_chsqc-aromatic
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode chsqc-aromatic
_Spectral_peak_list.Entry_ID 27477
_Spectral_peak_list.ID 4
_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 4
_Spectral_peak_list.Experiment_name '2D 1H-13C HSQC aromatic'
_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-aro.nv
1868.39929199 4500.0
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 {796.HD2} 7.58733 0.05299 0.05290 ++ {0.0} {} {796.CD2} 121.66448 0.20350 0.20330 ++ {0.0} {} 0.0 -0.7467 0 {} 0
1 {796.HE1} 7.98105 0.05507 0.10285 ++ {0.0} {} {796.CE1} 138.23007 0.16281 0.25972 ++ {0.0} {} 0.0 2.6604 0 {} 0
2 {801.HD2} 7.14356 0.03683 0.08662 ++ {0.0} {} {801.CD2} 119.55442 0.11747 0.22822 ++ {0.0} {} 0.0 -12.9306 0 {} 0
3 {869.HE1} 8.20607 0.03474 0.07470 ++ {0.0} {} {869.CE1} 137.58638 0.15519 0.29968 ++ {0.0} {} 0.0 20.2029 0 {} 0
4 {869.HD2} 6.75781 0.05192 0.07027 ++ {0.0} {} {869.CD2} 120.33183 0.17035 0.22794 ++ {0.0} {} 0.0 -4.0025 0 {} 0
5 {801.HE1} 8.35207 0.03762 0.06230 ++ {0.0} {} {801.CE1} 136.12167 0.14669 0.22892 ++ {0.0} {} 0.0 5.8016 0 {} 0
6 {799.HE1} 6.77369 0.04466 0.09299 ++ {0.0} {} {799.CE1} 117.96780 0.12753 0.30323 ++ {0.0} {} 0.0 8.7418 0 {} 0
7 {799.HD1} 7.04570 0.04612 0.09578 ++ {0.0} {} {799.CD1} 132.47757 0.18291 0.32716 ++ {0.0} {} 0.0 5.8581 0 {} 0
8 {802.HD1} 6.79914 0.05182 0.10501 ++ {0.0} {} {802.CD1} 132.43069 0.14724 0.28452 ++ {0.0} {} 0.0 6.9526 0 {} 0
9 {802.HE1} 6.90901 0.04608 0.10092 ++ {0.0} {} {802.CE1} 118.24928 0.17870 0.33108 ++ {0.0} {} 0.0 8.3940 0 {} 0
10 {883.HE1} 7.22296 0.03608 0.03591 ++ {0.0} {} {883.CE1} 120.38596 0.22741 0.22664 ++ {0.0} {} 0.0 0.7445 0 {} 0
11 {883.HD1} 6.79824 0.04350 0.04665 ++ {0.0} {} {883.CD1} 132.06363 0.19848 0.21128 ++ {0.0} {} 0.0 0.8289 0 {} 0
12 {880.HD1} 7.23509 0.04700 0.11752 ++ {0.0} {} {880.CD1} 132.31071 0.19954 0.30882 ++ {0.0} {} 0.0 3.0351 0 {} 0
13 {880.HE1} 6.93940 0.05459 0.12570 ++ {0.0} {} {880.CE1} 118.71086 0.20065 0.31760 ++ {0.0} {} 0.0 4.2439 0 {} 0
14 {793.HD1} 6.44061 0.05106 0.13338 ++ {0.0} {} {793.CD1} 124.10303 0.13088 0.24417 ++ {0.0} {} 0.0 -3.1079 0 {} 0
15 {864.HD1} 7.29379 0.04941 0.09085 ++ {0.0} {} {864.CD1} 124.47710 0.16674 0.24230 ++ {0.0} {} 0.0 -3.3513 0 {} 0
16 {813.HD1} 7.28942 0.05177 0.07755 ++ {0.0} {} {813.CD1} 129.23720 0.20787 0.31207 ++ {0.0} {} 0.0 -2.7685 0 {} 0
17 {811.HD1} 7.22939 0.04941 0.09085 ++ {0.0} {} {811.CD1} 124.46284 0.16674 0.24230 ++ {0.0} {} 0.0 -3.3513 0 {} 0
18 {842.HD1} 7.47069 0.05242 0.10754 ++ {0.0} {} {842.CD1} 131.03969 0.18669 0.32543 ++ {0.0} {} 0.0 1.6177 0 {} 0
19 {842.HE1} 6.54607 0.05878 0.10235 ++ {0.0} {} {842.CE1} 130.64552 0.16771 0.22899 ++ {0.0} {} 0.0 1.0969 0 {} 0
20 {842.HZ} 5.52268 0.05678 0.07580 ++ {0.0} {} {842.CZ} 128.55173 0.20277 0.25936 ++ {0.0} {} 0.0 0.6430 0 {} 0
21 {793.HZ2} 6.91270 0.04810 0.11700 ++ {0.0} {} {793.CZ2} 112.10593 0.17182 0.33188 ++ {0.0} {} 0.0 4.2245 0 {} 0
22 {793.HH2} 7.12885 0.05144 0.08748 ++ {0.0} {} {793.CH2} 123.57522 0.17528 0.28709 ++ {0.0} {} 0.0 1.3812 0 {} 0
23 {793.HZ3} 6.78298 0.03842 0.04137 ++ {0.0} {} {793.CZ3} 120.91229 0.27394 0.28311 ++ {0.0} {} 0.0 0.5062 0 {} 0
24 {813.HZ2} 7.30848 0.04939 0.11206 ++ {0.0} {} {813.CZ2} 113.90472 0.16278 0.35414 ++ {0.0} {} 0.0 3.9714 0 {} 0
25 {813.HH2} 5.92582 0.05537 0.10834 ++ {0.0} {} {813.CH2} 124.09155 0.19336 0.37196 ++ {0.0} {} 0.0 1.9022 0 {} 0
26 {813.HZ3} 5.69907 0.04760 0.07528 ++ {0.0} {} {813.CZ3} 121.36954 0.20824 0.28815 ++ {0.0} {} 0.0 0.9535 0 {} 0
27 {813.HE3} 7.06772 0.05033 0.08308 ++ {0.0} {} {813.CE3} 120.20727 0.18690 0.24458 ++ {0.0} {} 0.0 1.1272 0 {} 0
28 {864.HE3} 7.64500 0.05198 0.11396 ++ {0.0} {} {864.CE3} 120.92659 0.18330 0.34141 ++ {0.0} {} 0.0 2.4540 0 {} 0
29 {864.HZ2} 7.56268 0.04590 0.10767 ++ {0.0} {} {864.CZ2} 114.99886 0.28256 0.49887 ++ {0.0} {} 0.0 4.3063 0 {} 0
30 {864.HZ3} 7.06481 0.04411 0.04615 ++ {0.0} {} {864.CZ3} 122.78273 0.24022 0.24852 ++ {0.0} {} 0.0 0.5040 0 {} 0
31 {864.HH2} 7.26768 0.05571 0.11433 ++ {0.0} {} {864.CH2} 125.51831 0.24832 0.37879 ++ {0.0} {} 0.0 1.9430 0 {} 0
32 {811.HZ2} 7.55950 0.04590 0.10767 ++ {0.0} {} {811.CZ2} 114.79887 0.28256 0.49887 ++ {0.0} {} 0.0 4.3063 0 {} 0
33 {811.HH2} 6.99914 0.04679 0.09475 ++ {0.0} {} {811.CH2} 124.12825 0.19206 0.32639 ++ {0.0} {} 0.0 2.2077 0 {} 0
34 {811.HZ3} 7.02927 0.04208 0.09072 ++ {0.0} {} {811.CZ3} 121.92661 0.19448 0.32149 ++ {0.0} {} 0.0 1.5724 0 {} 0
35 {812.HZ} 6.59680 0.04815 0.07519 ++ {0.0} {} {812.CZ} 127.79617 0.21589 0.29054 ++ {0.0} {} 0.0 0.7203 0 {} 0
36 {815.HE1} 6.80427 0.04821 0.04440 ++ {0.0} {} {815.CD1} 131.56514 0.24125 0.22552 ++ {0.0} {} 0.0 1.3472 0 {} 0
37 {815.HE1} 7.03189 0.03162 0.04791 ++ {0.0} {} {815.CE1} 131.14157 0.14058 0.19491 ++ {0.0} {} 0.0 3.9160 0 {} 0
38 {854.HE1} 7.06190 0.03162 0.04985 ++ {0.0} {} {854.CE1} 131.39629 0.14058 0.20137 ++ {0.0} {} 0.0 3.9160 0 {} 0
39 {854.HD1} 7.38884 0.04110 0.05823 ++ {0.0} {} {854.CD1} 132.34465 0.26372 0.36335 ++ {0.0} {} 0.0 2.6316 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 4
2 . . C 13 C 1 . 4500 Hz . . . . . . 27477 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 $NMRView . . 27477 4
stop_
save_