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 30550
_Spectral_peak_list.ID 3
_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 .
_Spectral_peak_list.Chem_shift_reference_label .
_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
;
Assignment w1 w2 w3 Height Volume
?-?-? 6.735 119.218 6.734 1.63E+07 1.70E+08 bx
Y13H-Y13N-Y13HD* 8.517 120.212 6.826 1.63E+06 1.86E+07 bx
Y45H-Y45N-Y45HD* 7.834 126.079 6.343 6.90E+05 7.76E+06 bx
Y45H-Y45N-F31HZ 7.834 126.091 6.780 2.34E+05 3.06E+06 bx
I46H-I46N-Y45HD* 7.982 119.920 6.345 6.88E+05 8.47E+06 bx
I46H-I46N-F101HD* 7.983 119.920 7.084 3.95E+05 5.26E+06 bx
V18H-V18N-Y45HE* 9.256 121.200 6.452 4.20E+05 5.82E+06 bx
T92H-T92N-? 7.887 116.091 6.501 4.70E+05 6.18E+06 bx
T92H-T92N-? 7.887 116.091 6.582 5.49E+05 7.91E+06 bx
W99HE1-W99NE1-? 9.714 128.974 6.961 3.74E+05 4.97E+06 bx
W99HE1-W99NE1-W99HD1 9.713 128.974 7.466 4.11E+06 4.03E+07 bx
W99HE1-W99NE1-W99HZ2 9.713 128.974 7.709 2.39E+06 2.69E+07 bx
W34HE1-W34NE1-? 10.295 129.541 6.637 3.78E+05 4.64E+06 bx
W34HE1-W34NE1-W34HH2 10.296 129.541 7.110 2.84E+05 3.64E+06 bx
W34HE1-W34NE1-W34HD1 10.294 129.541 7.422 6.80E+06 7.31E+07 bx
N51HD22-N51ND2-F56HD* 7.920 107.663 6.714 9.88E+05 1.43E+07 bx
N51HD22-N51ND2-N51HD21 7.920 107.663 7.162 4.51E+06 5.77E+07 bx
N51HD21-N51ND2-F56HD* 7.164 107.608 6.715 1.03E+06 1.40E+07 bx
F50H-F50N-F50HD* 8.640 118.865 6.712 1.40E+06 1.62E+07 bx
F50H-F50N-F50HE* 8.639 118.865 6.829 3.06E+05 4.11E+06 bx
E35H-E35N-F36HE* 7.580 121.259 6.580 2.65E+05 4.19E+06 bx
E35H-E35N-F31HD* 7.578 121.259 6.815 3.30E+05 4.73E+06 bx
E35H-E35N-F36HD* 7.581 121.277 7.124 2.20E+05 2.52E+06 bx
N51H-N51N-F56HD* 9.535 121.031 6.717 4.03E+05 5.64E+06 bx
D57H-D57N-F56HD* 7.890 132.897 6.717 6.24E+05 8.21E+06 bx
L63H-L63N-F56HD* 7.741 126.310 6.724 6.02E+05 7.57E+06 bx
K105H-K105N-F104HD* 8.845 120.163 6.822 6.44E+05 8.45E+06 bx
K105H-K105N-F104HE* 8.848 120.163 6.690 2.33E+05 3.19E+06 bx
K105H-K105N-F101HD* 8.847 120.163 7.087 1.56E+05 2.76E+06 bx
F104H-F104N-F50HE* 7.416 121.879 6.825 1.05E+06 1.42E+07 bx
F104H-F104N-F50HD* 7.415 121.879 6.691 3.98E+05 6.07E+06 bx
F31H-F31N-K30H 8.328 120.871 6.749 2.67E+06 4.01E+07 bx
F31H-F31N-F31HD* 8.329 120.871 6.818 2.06E+06 2.91E+07 bx
F2H-F2N-F2HD* 8.657 124.418 6.930 5.66E+05 7.23E+06 bx
F2H-F2N-T3H 8.656 124.418 7.061 4.45E+05 5.33E+06 bx
G61H-G61N-W99HZ3 8.245 112.391 6.951 1.19E+06 1.40E+07 bx
F107H-F107N-F107HD* 8.604 123.153 7.008 9.38E+05 1.23E+07 bx
V84H-V84N-F107HE* 8.659 121.434 7.021 8.56E+05 1.16E+07 bx
I115H-I115N-F107HE* 7.717 118.904 7.034 5.58E+05 7.53E+06 bx
Y27H-Y27N-Y27HD* 7.424 118.764 6.980 1.74E+06 2.15E+07 bx
Y27H-Y27N-Y27HE* 7.424 118.764 7.130 5.86E+05 6.80E+06 bx
F56H-F56N-F56HD* 7.036 118.305 6.725 6.89E+05 9.35E+06 bx
D58H-D58N-F56HD* 8.648 125.008 6.722 3.81E+05 4.54E+06 bx
?-?-? 8.647 124.953 7.165 4.80E+05 6.32E+06 bx
K121H-K121N-D122H 8.652 125.080 8.155 1.40E+06 2.09E+07 bx
A100H-A100N-F56HD* 7.930 120.828 6.710 3.30E+05 3.95E+06 bx
A100H-A100N-F56HZ 7.929 120.828 7.237 8.07E+05 9.66E+06 bx
A100H-A100N-W99HD1 7.929 120.828 7.454 5.89E+05 6.59E+06 bx
Q70H-Q70N-F2HE* 8.639 118.095 7.233 4.69E+05 6.32E+06 bx
Q70H-Q70N-F2HZ 8.640 118.095 7.398 5.17E+05 6.25E+06 bx
Q70H-Q70N-F2HD* 8.638 118.095 6.938 1.90E+05 2.52E+06 bx
H73H-H73N-H73HD2 8.262 118.206 7.337 6.73E+05 8.56E+06 bx
F101H-F101N-F101HD* 7.912 116.396 7.084 6.81E+05 9.75E+06 bx
N91H-N91N-W99HH2 7.788 117.264 6.951 5.12E+05 5.41E+06 bx
K32H-K32N-F31HD* 7.849 116.115 6.793 4.37E+05 6.70E+06 bx
V4H-V4N-F2HD* 7.971 122.956 6.935 2.27E+05 3.41E+06 bx
V4H-V4N-F2HE* 7.971 122.956 7.211 3.51E+05 5.02E+06 bx
V4H-V4N-T3H 7.970 122.956 7.063 4.43E+05 5.64E+06 bx
S5H-S5N-F2HE* 9.660 125.438 7.219 2.86E+05 4.42E+06 bx
S5H-S5N-F2HZ 9.660 125.438 7.393 1.97E+05 3.18E+06 bx
L10H-L10N-Y13HD* 8.121 118.118 6.827 2.93E+05 4.23E+06 bx
R14H-R14N-Y13HD* 9.280 121.044 6.831 3.90E+05 5.01E+06 bx
R14H-R14N-R12H 9.278 121.044 7.253 2.40E+05 2.78E+06 bx
E16H-E16N-Y13HD* 8.621 121.647 6.826 2.20E+05 2.67E+06 bx
C17H-C17N-Y45HD* 9.049 119.929 6.339 2.64E+05 3.02E+06 bx
C17H-C17N-Y45HE* 9.048 119.929 6.456 3.09E+05 3.57E+06 bx
C17H-C17N-Y13HD* 9.047 119.929 6.815 1.76E+05 2.04E+06 bx
V18H-V18N-? 9.257 121.178 6.825 1.93E+05 3.25E+06 bx
R14H-R14N-Y13HD* 9.279 121.142 6.839 2.29E+05 4.53E+06 bx
D26H-D26N-V28H 8.891 114.702 6.837 3.64E+05 5.07E+06 bx
D26H-D26N-Y27HD* 8.891 114.702 6.972 3.16E+05 4.03E+06 bx
D26H-D26N-Y27HE* 8.891 114.702 7.119 1.45E+05 1.80E+06 bx
D26H-D26N-Y27H 8.892 114.702 7.427 2.21E+06 2.42E+07 bx
D26H-D26N-E29H 8.894 114.702 7.278 1.73E+05 2.48E+06 bx
K32H-K32N-F31HD* 7.850 116.205 6.792 3.60E+05 6.70E+06 bx
W34H-W34N-? 8.287 119.261 6.591 2.69E+05 4.09E+06 bx
W34H-W34N-? 8.284 119.261 7.380 3.16E+05 4.37E+06 bx
F36H-F36N-F36HD* 8.107 119.312 7.115 1.30E+06 1.53E+07 bx
D39H-D39N-? 7.954 122.201 7.111 1.95E+05 2.84E+06 bx
D39H-D39N-? 7.957 122.201 7.215 1.90E+05 2.36E+06 bx
T42H-T42N-F31HZ 8.219 119.831 6.788 2.12E+05 2.86E+06 bx
T42H-T42N-Y27HD* 8.219 119.831 6.992 2.32E+05 3.28E+06 bx
T42H-T42N-Y27HE* 8.220 119.831 7.123 7.07E+05 8.13E+06 bx
M43H-M43N-F101HD* 8.709 119.230 7.102 1.90E+05 2.77E+06 bx
K47H-K47N-F101HD* 7.534 117.231 7.096 2.26E+05 3.26E+06 bx
V49H-V49N-Y45HD* 8.026 121.408 6.356 1.96E+05 2.28E+06 bx
V49H-V49N-? 8.025 121.408 6.484 1.36E+05 1.83E+06 bx
V49H-V49N-F50HD* 8.024 121.408 6.716 3.16E+05 3.92E+06 bx
V49H-V49N-? 8.026 121.408 6.840 1.70E+05 1.89E+06 bx
T59H-T59N-W99HZ3 8.151 112.210 6.959 2.30E+05 2.94E+06 bx
E60H-E60N-W99HZ3 9.139 120.939 6.949 3.12E+05 3.74E+06 bx
H69H-H69N-F2HD* 7.734 117.971 6.912 2.18E+05 3.02E+06 bx
H69H-H69N-H69HD2 7.735 117.971 7.062 2.24E+05 3.17E+06 bx
H69H-H69N-F2HE* 7.737 117.971 7.225 2.90E+05 3.06E+06 bx
H69H-H69N-? 7.736 117.971 7.346 2.58E+05 3.69E+06 bx
H69H-H69N-? 7.738 117.971 7.416 3.18E+05 4.90E+06 bx
E83H-E83N-? 7.540 119.579 7.006 4.40E+05 5.97E+06 bx
E83H-E83N-? 7.542 119.490 7.290 3.68E+05 4.50E+06 bx
N91HD21-N91ND2-W99HZ3 6.229 107.483 6.948 4.11E+05 4.61E+06 bx
C97H-C97N-N95HD22 8.199 113.914 6.928 2.87E+05 3.90E+06 bx
H98H-H98N-H98HD2 7.861 118.572 6.918 9.35E+05 1.21E+07 bx
W99H-W99N-? 8.736 121.109 6.928 1.25E+05 1.95E+06 bx
W99H-W99N-W99HD1 8.735 121.109 7.465 4.83E+05 7.06E+06 bx
W99H-W99N-F56HZ 8.733 121.109 7.234 2.78E+05 3.49E+06 bx
R102H-R102N-F101HD* 8.845 119.704 7.084 4.90E+05 6.14E+06 bx
R102H-R102N-F104HD* 8.845 119.745 6.826 1.40E+05 2.07E+06 bx
;
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 2 . 15 ppm . . . 4.79 . . 30550 3
2 . . C 13 C-aromatic 1 . 30 ppm . . . 125 . . 30550 3
stop_
save_