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 30223
_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.Chem_shift_reference_ID .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 3
_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
;
Major state NOEs between Trp43 and Asp46/Asp47 were omitted to allow CYANA
to converge on the minor state conformation.
See associated article TO BE PUBLISHED for further details.
;
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Number of dimensions 3
# INAME 1 H
# INAME 2 C
# INAME 3 h
# CYANAFORMAT HCh
1 7.118 114.136 7.438 1 T 6.308e+00 0.00e+00 a 0 - - -
2 7.115 114.144 7.118 1 T 2.139e+01 0.00e+00 a 0 - - -
3 7.118 114.153 6.861 1 T 2.308e+00 0.00e+00 a 0 - - -
4 7.118 114.176 6.585 1 T 6.308e+00 0.00e+00 a 0 - - -
5 7.122 114.127 4.035 1 T 1.770e+00 0.00e+00 a 0 - - -
6 7.124 114.089 3.348 1 T 1.186e+00 0.00e+00 a 0 - - -
7 7.118 114.136 7.438 1 T 3.308e+00 0.00e+00 a 0 - - -
8 6.717 132.921 6.714 1 T 4.595e+01 0.00e+00 a 0 - - -
9 6.709 132.942 4.262 1 T 2.429e+00 0.00e+00 a 0 - - -
10 6.722 132.829 3.219 1 T 5.044e+00 0.00e+00 a 0 - - -
11 6.716 133.199 0.715 1 T 1.760e+00 0.00e+00 a 0 - - -
12 6.729 132.912 7.165 1 T 1.213e+01 0.00e+00 a 0 - - -
13 7.222 131.229 7.221 1 T 2.122e+01 0.00e+00 a 0 - - -
14 7.210 131.235 7.736 1 T 1.659e+00 0.00e+00 a 0 - - -
15 7.223 131.178 3.076 1 T 1.155e+00 0.00e+00 a 0 - - -
16 7.223 131.175 0.595 1 T 1.306e+00 0.00e+00 a 0 - - -
17 7.761 132.665 7.764 1 T 3.649e+01 0.00e+00 a 0 - - -
18 7.763 132.766 7.206 1 T 5.402e+00 0.00e+00 a 0 - - -
19 7.761 132.727 3.089 1 T 5.367e+00 0.00e+00 a 0 - - -
20 6.580 130.687 6.576 1 T 7.615e+00 0.00e+00 a 0 - - -
21 6.587 130.711 7.070 1 T 2.538e+00 0.00e+00 a 0 - - -
22 7.070 130.424 6.576 1 T 2.915e+00 0.00e+00 a 0 - - -
23 7.058 130.423 2.999 1 T 1.554e+00 0.00e+00 a 0 - - -
24 7.062 130.355 0.494 1 T 1.524e+00 0.00e+00 a 0 - - -
25 7.073 130.432 7.771 1 T 2.475e+00 0.00e+00 a 0 - - -
26 7.065 130.415 7.064 1 T 1.616e+01 0.00e+00 a 0 - - -
27 7.697 138.368 7.699 1 T 1.406e+03 0.00e+00 a 0 - - -
28 7.386 131.933 7.394 1 T 6.768e+01 0.00e+00 a 0 - - -
29 7.376 131.959 4.159 1 T 2.034e+00 0.00e+00 a 0 - - -
30 7.399 131.972 3.498 1 T 3.021e+00 0.00e+00 a 0 - - -
31 7.399 131.972 3.283 1 T 3.021e+00 0.00e+00 a 0 - - -
32 7.389 131.992 0.644 1 T 1.522e+00 0.00e+00 a 0 - - -
33 7.384 131.959 7.128 1 T 3.932e+00 0.00e+00 a 0 - - -
34 7.396 131.935 6.839 1 T 3.335e+00 0.00e+00 a 0 - - -
35 7.372 132.038 1.274 1 T 1.424e+00 0.00e+00 a 0 - - -
36 7.370 131.635 0.590 1 T 1.304e+00 0.00e+00 a 0 - - -
37 6.838 130.432 6.845 1 T 8.964e+00 0.00e+00 a 0 - - -
38 6.375 117.338 6.374 1 T 1.157e+01 0.00e+00 a 0 - - -
39 7.100 128.800 7.105 1 T 3.623e+01 0.00e+00 a 0 - - -
40 7.099 128.785 7.503 1 T 1.019e+01 0.00e+00 a 0 - - -
41 7.099 128.852 4.668 1 T 4.070e+00 0.00e+00 a 0 - - -
42 7.107 128.868 3.140 1 T 1.302e+00 0.00e+00 a 0 - - -
43 7.093 128.893 1.166 1 T 1.827e+00 0.00e+00 a 0 - - -
44 7.510 132.264 7.104 1 T 2.720e+00 0.00e+00 a 0 - - -
45 7.503 126.817 7.490 1 T 6.820e+01 0.00e+00 a 0 - - -
46 7.505 126.780 4.685 1 T 3.343e+00 0.00e+00 a 0 - - -
47 7.504 126.930 3.233 1 T 3.070e+00 0.00e+00 a 0 - - -
48 7.491 127.003 5.153 1 T 1.707e+00 0.00e+00 a 0 - - -
49 6.604 118.071 6.618 1 T 8.345e+01 0.00e+00 a 0 - - -
50 6.606 117.990 0.713 1 T 3.110e+00 0.00e+00 a 0 - - -
51 7.781 132.665 7.774 1 T 3.649e+01 0.00e+00 a 0 - - -
52 7.478 119.597 6.367 1 T 3.291e+00 0.00e+00 a 0 - - -
53 7.477 119.761 3.169 1 T 1.296e+00 0.00e+00 a 0 - - -
54 7.479 119.865 7.478 1 T 9.227e+00 0.00e+00 a 0 - - -
55 6.561 123.468 7.475 1 T 1.731e+00 0.00e+00 a 0 - - -
56 6.580 123.415 6.583 1 T 7.934e+00 0.00e+00 a 0 - - -
57 6.559 123.508 6.361 1 T 2.545e+00 0.00e+00 a 0 - - -
58 6.379 120.054 6.376 1 T 4.537e+00 0.00e+00 a 0 - - -
59 7.122 114.127 4.035 1 T 1.770e+00 0.00e+00 a 0 - - -
60 6.382 117.363 4.186 1 T 1.894e+00 0.00e+00 a 0 - - -
61 6.383 117.339 2.820 1 T 2.044e+00 0.00e+00 a 0 - - -
62 6.579 123.463 3.341 1 T 1.738e+00 0.00e+00 a 0 - - -
63 6.579 123.463 3.058 1 T 1.738e+00 0.00e+00 a 0 - - -
64 7.503 126.772 1.961 1 T 1.064e+00 0.00e+00 a 0 - - -
65 7.115 114.150 0.007 1 T 1.064e+00 0.00e+00 a 0 - - -
66 6.372 120.052 0.007 1 T 1.064e+00 0.00e+00 a 0 - - -
67 7.115 114.150 -0.152 1 T 1.064e+01 0.00e+00 a 0 - - -
68 7.497 126.817 2.943 1 T 4.064e+01 0.00e+00 a 0 - - -
69 7.115 114.150 -0.835 1 T 1.064e+01 0.00e+00 a 0 - - -
70 6.372 120.052 -0.835 1 T 1.064e+01 0.00e+00 a 0 - - -
71 7.497 126.817 2.577 1 T 4.064e+01 0.00e+00 a 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 . aliased 14.019506193 ppm . . . 6.073 . . 30223 2
2 . . C 13 C-aromatic . aliased 40.291186258 ppm . . . 127.736 . . 30223 2
3 . . H 1 H . aliased 14.019506193 ppm . . . 6.073 . . 30223 2
stop_
save_