Content for NMR-STAR saveframe, "spectral_peak_list_2"
save_spectral_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_2
_Spectral_peak_list.Entry_ID 34261
_Spectral_peak_list.ID 2
_Spectral_peak_list.Name .
_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 13
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic'
_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 '70ms 13C NOESY of labled LptA plus unlab. Thanatin'
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Number of dimensions 3
#FORMAT xeasy3D
#INAME 1 H
#INAME 2 HC
#INAME 3 C
#SPECTRUM C13NOESY H HC C
2 2.602 6.842 133.513 3 U 7.015E+04 0.000E+00 a 0 3393 3573 3574 #QU 0.780 #SUP 0.78
4 1.865 6.857 132.936 3 U 3.832E+04 0.000E+00 a 0 3513 3573 3574 #QU 0.434 #SUP 0.43
6 1.712 6.840 133.128 3 U 1.112E+05 0.000E+00 a 0 3394 3573 3574 #QU 0.963 #SUP 0.96
7 1.454 6.836 133.279 3 U 6.143E+04 0.000E+00 a 0 3515 3573 3574 #QU 0.848 #SUP 0.85
9 5.229 6.827 133.227 3 U 2.592E+04 0.000E+00 a 0 3102 3573 3574 #QU 0.760 #SUP 0.76
11 5.056 6.838 133.154 3 U 3.515E+04 0.000E+00 a 0 3122 3573 3574 #QU 0.590 #SUP 0.59
14 4.854 6.838 133.073 3 U 3.232E+04 0.000E+00 a 0 3445 3573 3574 #QU 0.520 #SUP 0.52
15 4.632 6.453 117.424 4 U 3.604E+04 0.000E+00 a 0 0 0 0
17 4.334 6.458 117.282 4 U 3.765E+04 0.000E+00 a 0 0 0 0
19 0.912 6.451 117.501 4 U 3.938E+04 0.000E+00 a 0 0 0 0 #QU 0.002
20 0.895 6.464 117.085 4 U 3.303E+04 0.000E+00 a 0 0 0 0 #QU 0.002
22 0.746 6.454 116.978 3 U 9.657E+04 0.000E+00 a 0 3588 3577 3578 #VC 0.62896 #QU 0.432 #SUP 0.67
3374 3577 3578 #VC 0.37104 #QU 0.424 #SUP 0.67
23 0.363 6.456 117.032 4 U 2.774E+04 0.000E+00 a 0 0 0 0
28 6.746 6.460 117.410 3 U 2.916E+05 0.000E+00 a 0 3571 3577 3578 #QU 0.785 #SUP 0.78
29 3.229 6.762 130.482 3 U 3.501E+04 0.000E+00 a 0 3184 3571 3572 #QU 0.975 #SUP 0.98
30 2.614 6.766 130.576 3 U 3.427E+04 0.000E+00 a 0 3185 3571 3572 #QU 0.916 #SUP 0.92
32 2.602 6.751 130.223 3 U 3.414E+04 0.000E+00 a 0 3185 3571 3572 #QU 0.921 #SUP 0.92
33 1.887 6.761 130.462 3 U 2.686E+04 0.000E+00 a 0 3367 3571 3572 #QU 0.716 #SUP 0.72
35 0.760 6.770 130.312 3 U 1.065E+05 0.000E+00 a 0 3374 3571 3572 #QU 0.650 #SUP 0.65
36 0.368 6.777 130.545 3 U 4.646E+04 0.000E+00 a 0 3248 3646 3647 #QU 0.287 #SUP 0.29
37 0.362 6.768 130.259 3 U 4.466E+04 0.000E+00 a 0 3467 3571 3572 #QU 0.911 #SUP 0.91
38 6.467 6.770 130.416 3 U 2.282E+05 0.000E+00 a 0 3577 3571 3572 #QU 0.885 #SUP 0.89
39 5.634 6.763 130.311 4 U 5.635E+04 0.000E+00 a 0 0 0 0
42 5.607 6.760 130.571 3 U 6.047E+04 0.000E+00 a 0 3108 3571 3572 #QU 0.858 #SUP 0.86
45 8.491 6.766 130.341 4 U 4.032E+04 0.000E+00 a 0 0 0 0 #QU 0.001
46 8.372 6.785 130.139 4 U 3.339E+04 0.000E+00 a 0 0 0 0
47 8.324 6.768 130.640 4 U 3.940E+04 0.000E+00 a 0 0 0 0
48 2.604 7.460 138.253 3 U 4.739E+04 0.000E+00 a 0 3393 3640 3641 #QU 0.610 #SUP 0.61
49 1.731 7.463 138.046 3 U 5.377E+04 0.000E+00 a 0 3394 3640 3641 #QU 0.393 #SUP 0.39
50 6.886 7.459 138.138 4 U 3.930E+04 0.000E+00 a 0 0 0 0
53 2.322 6.455 132.331 4 U 6.913E+04 0.000E+00 a 0 0 0 0
56 0.897 6.443 132.419 4 U 3.600E+04 0.000E+00 a 0 0 0 0
58 0.909 6.455 131.989 4 U 3.593E+04 0.000E+00 a 0 0 0 0
59 0.712 6.450 132.457 4 U 3.241E+04 0.000E+00 a 0 0 0 0
61 0.389 6.458 132.335 4 U 6.610E+04 0.000E+00 a 0 0 0 0
64 4.793 6.478 132.512 4 U 3.270E+04 0.000E+00 a 0 0 0 0
65 4.755 6.446 132.401 3 U 5.077E+04 0.000E+00 a 0 3541 3566 3567 #QU 0.636 #SUP 0.64
66 4.750 6.458 132.260 3 U 4.779E+04 0.000E+00 a 0 3541 3566 3567 #QU 0.769 #SUP 0.77
69 4.072 7.106 133.896 3 U 2.751E+04 0.000E+00 a 0 3134 3579 3580 #QU 0.255 #SUP 0.25
70 3.336 7.126 133.797 3 U 6.849E+04 0.000E+00 a 0 3375 3583 3584 #QU 0.967 #SUP 0.97
73 2.935 7.125 133.510 3 U 1.387E+05 0.000E+00 a 0 3175 3547 3649 #VC 0.52981 #QU 0.764 #SUP 0.92
3376 3583 3584 #VC 0.47019 #QU 0.678 #SUP 0.92
74 2.722 7.107 133.544 4 U 8.113E+04 0.000E+00 a 0 0 0 0
77 2.263 7.118 133.892 4 U 6.612E+04 0.000E+00 a 0 0 0 0
86 1.968 7.121 133.797 3 U 5.680E+04 0.000E+00 a 0 3328 3547 3649 #QU 0.630 #SUP 0.63
89 1.786 7.132 133.900 3 U 4.464E+04 0.000E+00 a 0 3322 3583 3584 #QU 0.321 #SUP 0.32
91 1.761 7.124 133.482 3 U 3.889E+04 0.000E+00 a 0 3322 3583 3584 #QU 0.383 #SUP 0.38
93 1.503 7.120 133.699 4 U 8.593E+04 0.000E+00 a 0 0 0 0
95 1.132 7.124 133.490 4 U 6.355E+04 0.000E+00 a 0 0 0 0
96 6.670 7.122 133.699 4 U 4.575E+05 0.000E+00 a 0 0 0 0
97 5.573 7.137 133.466 3 U 3.577E+04 0.000E+00 a 0 3118 3583 3584 #QU 0.609 #SUP 0.61
99 5.538 7.126 133.835 3 U 4.699E+04 0.000E+00 a 0 3118 3583 3584 #QU 0.927 #SUP 0.93
103 5.410 7.108 133.529 3 U 3.339E+04 0.000E+00 a 0 2971 3583 3584 #QU 0.291 #SUP 0.29
104 5.058 7.117 133.797 4 U 3.505E+04 0.000E+00 a 0 0 0 0
105 5.032 7.131 133.473 3 U 3.215E+04 0.000E+00 a 0 3717 3547 3649 #VC 0.49435 #QU 0.485 #SUP 0.72
3130 3547 3649 #VC 0.50565 #QU 0.450 #SUP 0.72
107 9.249 7.113 133.729 4 U 4.596E+04 0.000E+00 a 0 0 0 0
109 9.121 7.124 133.736 4 U 4.234E+04 0.000E+00 a 0 0 0 0
113 7.726 7.119 133.617 4 U 2.927E+04 0.000E+00 a 0 0 0 0
115 7.595 7.126 133.593 4 U 3.199E+04 0.000E+00 a 0 0 0 0
122 2.823 7.600 137.750 4 U 2.447E+04 0.000E+00 a 0 0 0 0
123 1.981 7.605 137.765 4 U 6.250E+04 0.000E+00 a 0 0 0 0
124 1.789 7.606 137.708 4 U 8.028E+04 0.000E+00 a 0 0 0 0
125 0.728 7.606 137.749 3 U 9.071E+04 0.000E+00 a 0 4307 3643 3644 #VC 0.39834 #QU 0.293 #SUP 0.51
4056 3643 3644 #VC 0.60166 #QU 0.314 #SUP 0.51
126 3.077 6.611 130.178 3 U 2.886E+04 0.000E+00 a 0 3176 3569 3570 #QU 0.958 #SUP 0.96
128 2.208 6.607 130.249 3 U 4.055E+04 0.000E+00 a 0 3177 3569 3570 #QU 0.946 #SUP 0.95
130 1.597 6.600 130.170 3 U 2.813E+04 0.000E+00 a 0 3437 3569 3570 #QU 0.381 #SUP 0.38
131 0.749 6.612 130.202 3 U 4.059E+04 0.000E+00 a 0 3319 3569 3570 #QU 0.648 #SUP 0.65
132 0.389 6.601 130.324 3 U 3.997E+04 0.000E+00 a 0 3481 3569 3570 #QU 0.329 #SUP 0.33
134 0.358 6.613 129.848 3 U 3.087E+04 0.000E+00 a 0 3467 3569 3570 #VC 0.23125 #QU 0.234 #SUP 0.72
3481 3569 3570 #VC 0.76875 #QU 0.630 #SUP 0.72
135 2.930 6.655 117.769 3 U 4.220E+04 0.000E+00 a 0 3516 3575 3576 #QU 0.729 #SUP 0.73
138 2.664 6.659 117.790 4 U 7.604E+04 0.000E+00 a 0 0 0 0
139 2.479 6.646 117.596 4 U 8.307E+04 0.000E+00 a 0 0 0 0
141 2.313 6.659 117.794 4 U 7.904E+04 0.000E+00 a 0 0 0 0
144 2.049 6.659 117.767 4 U 1.322E+05 0.000E+00 a 0 0 0 0
146 1.731 6.652 117.418 3 U 5.291E+04 0.000E+00 a 0 3394 3575 3576 #QU 0.671 #SUP 0.67
147 1.452 6.661 117.743 3 U 7.749E+04 0.000E+00 a 0 3515 3575 3576 #QU 0.842 #SUP 0.84
148 0.896 6.662 117.744 4 U 4.570E+04 0.000E+00 a 0 0 0 0
150 0.749 6.694 117.800 4 U 3.291E+04 0.000E+00 a 0 0 0 0
153 0.484 6.681 117.669 4 U 3.039E+04 0.000E+00 a 0 0 0 0
157 4.826 6.662 117.762 4 U 4.112E+04 0.000E+00 a 0 0 0 0
158 7.120 6.660 117.747 4 U 5.694E+05 0.000E+00 a 0 0 0 0
159 1.655 7.605 137.765 3 U 4.757E+04 0.000E+00 a 0 4054 3643 3644 #QU 0.631 #SUP 0.63
;
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 . . 11 ppm . . . 4.7 . . 34261 2
2 . . C 13 C-aromatic . . 40 ppm . . . 120 . . 34261 2
3 . . H 1 H-aromatic . . 13.6 ppm . . . 4.7 . . 34261 2
stop_
save_