Content for NMR-STAR saveframe, "spectral_peak_list_4"
save_spectral_peak_list_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_4
_Spectral_peak_list.Entry_ID 31057
_Spectral_peak_list.ID 4
_Spectral_peak_list.Name .
_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 3
_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 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
;
label dataset sw sf
H1 C13
AbdA_Chsqc-aro.nv
1442.32873535 4078.125
599.664978027 150.789993286
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 {} 8.02970 0.02297 0.03590 ++ {0.0} {} {} 138.53471 0.18065 0.27163 ++ {0.0} {} 0.0 0.2413 0 {} 0
1 {} 8.25178 0.02428 0.04642 ++ {0.0} {} {} 137.45650 0.17246 0.38195 ++ {0.0} {} 0.0 1.1631 0 {} 0
2 {} 8.18762 0.02417 0.04758 ++ {0.0} {} {} 137.47086 0.19573 0.38187 ++ {0.0} {} 0.0 0.9577 0 {} 0
3 {} 8.21117 0.02511 0.04246 ++ {0.0} {} {} 136.27765 0.15775 0.28279 ++ {0.0} {} 0.0 0.4196 0 {} 0
4 {27.HD1} 7.20369 0.03060 0.05910 ++ {0.0} {} {27.CD1} 133.58470 0.15234 0.32157 ++ {0.0} {} 0.0 0.7807 0 {} 0
5 {10.HD1} 7.05494 0.02946 0.06139 ++ {0.0} {} {10.CD1} 133.37781 0.16871 0.37228 ++ {0.0} {} 0.0 1.0467 0 {} 0
6 {} 6.75381 0.01269 0.00565 ++ {0.0} {} {} 133.36449 0.16584 0.07361 ++ {0.0} {} 0.0 0.0828 0 {} 0
7 {} 7.34526 0.01964 0.00280 ++ {0.0} {} {} 132.78575 0.30086 0.05409 ++ {0.0} {} 0.0 0.0689 0 {} 0
8 {51.HE1} 7.61509 0.03436 0.03128 ++ {0.0} {} {51.CE1} 132.34508 0.24522 0.21538 ++ {0.0} {} 0.0 0.1144 0 {} 0
9 {22.HD1} 6.96401 0.03292 0.05164 ++ {0.0} {} {22.CD1} 132.35793 0.18083 0.30631 ++ {0.0} {} 0.0 0.2951 0 {} 0
10 {13.HD1} 7.24544 0.02007 0.02947 ++ {0.0} {} {13.CD1} 131.82808 0.20344 0.34327 ++ {0.0} {} 0.0 0.3516 0 {} 0
11 {13.HE1} 7.33744 0.01740 0.02186 ++ {0.0} {} {13.CE1} 132.14127 0.10322 0.14584 ++ {0.0} {} 0.0 0.2194 0 {} 0
12 {51.HD1} 7.80764 0.03089 0.03097 ++ {0.0} {} {51.CD1} 131.73857 0.17653 0.17720 ++ {0.0} {} 0.0 0.1293 0 {} 0
13 {} 7.41923 0.01005 0.00771 ++ {0.0} {} {} 132.14978 0.13578 0.10412 ++ {0.0} {} 0.0 0.1045 0 {} 0
14 {24.HD1} 7.41088 0.01917 0.02446 ++ {0.0} {} {24.CD1} 131.49315 0.12843 0.18646 ++ {0.0} {} 0.0 0.2350 0 {} 0
15 {22.HE1} 6.93799 0.03699 0.05004 ++ {0.0} {} {22.CE1} 130.62657 0.14504 0.19557 ++ {0.0} {} 0.0 0.1977 0 {} 0
16 {} 7.35276 0.02747 0.02030 ++ {0.0} {} {} 129.82684 0.11073 0.06978 ++ {0.0} {} 0.0 0.0940 0 {} 0
17 {22.HZ} 6.34840 0.03554 0.03942 ++ {0.0} {} {22.CZ} 127.92664 0.17190 0.19222 ++ {0.0} {} 0.0 0.1461 0 {} 0
18 {50.HH2} 6.44755 0.03621 0.03764 ++ {0.0} {} {50.CH2} 123.46667 0.15509 0.16314 ++ {0.0} {} 0.0 0.1359 0 {} 0
19 {} 7.42417 0.00881 0.00660 ++ {0.0} {} {} 122.30256 0.17103 0.12813 ++ {0.0} {} 0.0 0.1030 0 {} 0
20 {50.HE3} 6.81166 0.03196 0.01336 ++ {0.0} {} {50.CE3} 121.60066 0.23165 0.06743 ++ {0.0} {} 0.0 0.0754 0 {} 0
21 {} 6.82541 0.03743 0.02726 ++ {0.0} {} {} 120.56769 0.11534 0.06314 ++ {0.0} {} 0.0 0.0887 0 {} 0
22 {} 6.90568 0.02001 0.03190 ++ {0.0} {} {} 118.62292 0.14525 0.25377 ++ {0.0} {} 0.0 0.5093 0 {} 0
23 {10.HE1} 6.75388 0.02591 0.04688 ++ {0.0} {} {10.CE1} 117.99899 0.18219 0.36946 ++ {0.0} {} 0.0 1.5119 0 {} 0
24 {27.HE1} 6.87091 0.02325 0.04211 ++ {0.0} {} {27.CE1} 117.91302 0.15366 0.31966 ++ {0.0} {} 0.0 0.7633 0 {} 0
25 {} 7.54942 0.02303 0.01911 ++ {0.0} {} {} 114.72199 0.15001 0.11571 ++ {0.0} {} 0.0 0.1048 -1 {} 0
26 {50.HZ2} 7.19288 0.02964 0.04713 ++ {0.0} {} {50.CZ2} 114.26563 0.17854 0.32109 ++ {0.0} {} 0.0 0.3879 0 {} 0
27 {26.HD2} 6.68120 0.03803 0.05412 ++ {0.0} {} {26.CD2} 119.73859 0.16976 0.28381 ++ {0.0} {} 0.0 -0.2595 0 {} 0
28 {23.HD2} 6.82627 0.02721 0.04733 ++ {0.0} {} {23.CD2} 120.29485 0.12733 0.22407 ++ {0.0} {} 0.0 -0.4289 0 {} 0
29 {38.HD2} 7.28784 0.02429 0.04466 ++ {0.0} {} {38.CD2} 119.79067 0.14682 0.29378 ++ {0.0} {} 0.0 -0.5676 0 {} 0
30 {50.HD1} 6.09216 0.03006 0.05325 ++ {0.0} {} {50.CD1} 126.99517 0.19188 0.36125 ++ {0.0} {} 0.0 -0.3425 0 {} 0
31 {50.HZ3} 5.69974 0.04113 0.04772 ++ {0.0} {} {50.CZ3} 120.77827 0.13338 0.15835 ++ {0.0} {} 0.0 0.0519 0 {} 0
32 {51.HZ} 7.25282 0.02314 0.02636 ++ {0.0} {} {51.CZ} 129.40996 0.14458 0.16382 ++ {0.0} {} 0.0 0.0609 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-aromatic . 'not observed' 6300 Hz . . . 4.777 . . 31057 4
2 . . C 13 C-aromatic . 'not observed' 4078 Hz . . . 125.000 . . 31057 4
stop_
save_