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 34459
_Spectral_peak_list.ID 3
_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 14
_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 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
;
# Number of dimensions 3
#INAME 1 proton1
#INAME 2 hetero1
#INAME 3 proton2
1 7.998 137.413 0.750 5 U 3669.268 0.00E+00 m 0 0 0 0 0
2 7.998 137.453 0.990 5 U 746.170 0.00E+00 m 0 0 0 0 0
3 7.998 137.420 1.426 5 U 716.271 0.00E+00 m 0 0 0 0 0
4 7.998 137.446 1.584 5 U 814.159 0.00E+00 m 0 0 0 0 0
5 7.998 137.401 4.051 5 U 1074.789 0.00E+00 m 0 0 0 0 0
6 7.998 137.507 7.337 5 U 2269.762 0.00E+00 m 0 0 0 0 0
7 6.216 121.475 7.536 5 U 1065.613 0.00E+00 m 0 0 0 0 0
8 6.212 121.469 7.423 5 U 778.936 0.00E+00 m 0 0 0 0 0
9 6.214 121.444 4.414 5 U 387.194 0.00E+00 m 0 0 0 0 0
10 6.212 121.504 4.053 5 U 1417.918 0.00E+00 m 0 0 0 0 0
11 6.212 121.512 3.025 5 U 1711.682 0.00E+00 m 0 0 0 0 0
12 6.214 121.497 1.580 5 U 2295.924 0.00E+00 m 0 0 0 0 0
13 6.213 121.459 0.751 5 U 1762.983 0.00E+00 m 0 0 0 0 0
14 6.940 120.590 3.378 5 U 1227.663 0.00E+00 m 0 0 0 0 0
15 6.940 120.613 3.117 5 U 2608.887 0.00E+00 m 0 0 0 0 0
16 6.940 120.599 2.955 5 U 2328.541 0.00E+00 m 0 0 0 0 0
17 6.939 120.576 2.795 5 U 2081.603 0.00E+00 m 0 0 0 0 0
18 6.943 120.605 2.627 5 U 909.699 0.00E+00 m 0 0 0 0 0
19 6.939 120.597 2.240 5 U 1628.904 0.00E+00 m 0 0 0 0 0
20 6.940 120.601 8.744 5 U 533.676 0.00E+00 m 0 0 0 0 0
21 6.939 120.541 8.236 5 U 939.602 0.00E+00 m 0 0 0 0 0
22 6.940 120.631 4.689 5 U 682.903 0.00E+00 m 0 0 0 0 0
23 7.155 129.212 10.301 5 U 12011.421 0.00E+00 m 0 0 0 0 0
24 7.154 129.223 8.932 5 U 2218.378 0.00E+00 m 0 0 0 0 0
25 7.155 129.244 8.425 5 U 1784.804 0.00E+00 m 0 0 0 0 0
26 7.155 129.225 8.027 5 U 3025.982 0.00E+00 m 0 0 0 0 0
27 7.155 129.226 6.911 5 U 9302.839 0.00E+00 m 0 0 0 0 0
28 7.151 129.216 3.708 5 U 1704.804 0.00E+00 m 0 0 0 0 0
29 7.155 129.216 3.452 5 U 14104.855 0.00E+00 m 0 0 0 0 0
30 7.155 129.226 2.134 5 U 1647.653 0.00E+00 m 0 0 0 0 0
31 7.153 129.268 0.865 5 U 1011.477 0.00E+00 m 0 0 0 0 0
32 7.155 129.225 0.758 5 U 6870.342 0.00E+00 m 0 0 0 0 0
33 7.154 129.253 -0.496 5 U 1794.028 0.00E+00 m 0 0 0 0 0
34 7.154 129.282 -1.231 5 U 495.248 0.00E+00 m 0 0 0 0 0
35 7.751 123.727 9.318 5 U 173.816 0.00E+00 m 0 0 0 0 0
36 7.751 123.756 7.095 5 U 10215.662 0.00E+00 m 0 0 0 0 0
37 7.752 123.789 6.930 5 U 642.063 0.00E+00 m 0 0 0 0 0
38 7.753 123.751 6.814 5 U 1583.923 0.00E+00 m 0 0 0 0 0
39 7.751 123.766 6.682 5 U 8663.110 0.00E+00 m 0 0 0 0 0
40 7.750 123.761 6.147 5 U 3193.638 0.00E+00 m 0 0 0 0 0
41 7.752 123.759 3.460 5 U 4189.355 0.00E+00 m 0 0 0 0 0
42 7.757 123.815 1.024 5 U 779.170 0.00E+00 m 0 0 0 0 0
43 7.753 123.725 -0.500 5 U 1153.795 0.00E+00 m 0 0 0 0 0
44 7.752 123.748 -1.240 5 U 1328.358 0.00E+00 m 0 0 0 0 0
45 6.682 119.489 7.433 5 U 4570.349 0.00E+00 m 0 0 0 0 0
46 6.682 119.440 7.315 5 U 4236.001 0.00E+00 m 0 0 0 0 0
47 6.674 119.536 4.169 5 U 1979.696 0.00E+00 m 0 0 0 0 0
48 6.683 119.467 0.980 5 U 2493.738 0.00E+00 m 0 0 0 0 0
49 6.678 119.475 -1.244 5 U 764.622 0.00E+00 m 0 0 0 0 0
50 6.922 114.100 10.305 5 U 4999.951 0.00E+00 m 0 0 0 0 0
51 6.923 114.100 7.313 5 U 10439.304 0.00E+00 m 0 0 0 0 0
52 6.921 114.100 6.651 5 U 16904.815 0.00E+00 m 0 0 0 0 0
53 6.921 114.100 6.243 5 U 8518.355 0.00E+00 m 0 0 0 0 0
54 6.921 114.100 0.382 5 U 6082.170 0.00E+00 m 0 0 0 0 0
55 6.537 132.996 8.701 5 U 2277.276 0.00E+00 m 0 0 0 0 0
56 6.534 132.971 7.657 5 U 4360.566 0.00E+00 m 0 0 0 0 0
57 6.533 132.986 6.361 5 U 2317.066 0.00E+00 m 0 0 0 0 0
58 6.536 132.991 6.206 5 U 1723.463 0.00E+00 m 0 0 0 0 0
59 6.536 133.002 2.910 5 U 11487.775 0.00E+00 m 0 0 0 0 0
60 6.532 133.055 1.921 5 U 1182.673 0.00E+00 m 0 0 0 0 0
61 6.971 118.695 6.361 5 U 1437.468 0.00E+00 m 0 0 0 0 0
62 6.971 118.695 6.206 5 U 1829.900 0.00E+00 m 0 0 0 0 0
63 6.970 118.715 6.545 5 U 24131.006 0.00E+00 m 0 0 0 0 0
64 6.971 118.694 1.363 5 U 3505.517 0.00E+00 m 0 0 0 0 0
65 7.400 134.021 7.007 5 U 35179.621 0.00E+00 m 0 0 0 0 0
66 7.400 134.045 6.538 5 U 1583.243 0.00E+00 m 0 0 0 0 0
67 7.400 134.010 4.680 5 U 1942.801 0.00E+00 m 0 0 0 0 0
68 7.400 134.024 4.221 5 U 7311.526 0.00E+00 m 0 0 0 0 0
69 7.400 134.027 3.300 5 U 13527.115 0.00E+00 m 0 0 0 0 0
70 7.401 134.021 3.170 5 U 12203.844 0.00E+00 m 0 0 0 0 0
71 7.401 134.028 2.264 5 U 2383.380 0.00E+00 m 0 0 0 0 0
72 7.005 118.529 4.221 5 U 16817.396 0.00E+00 m 0 0 0 0 0
73 7.009 118.512 3.170 5 U 912.761 0.00E+00 m 0 0 0 0 0
74 7.007 118.556 2.985 5 U 4266.456 0.00E+00 m 0 0 0 0 0
75 7.005 118.519 2.264 5 U 5245.002 0.00E+00 m 0 0 0 0 0
76 7.004 133.709 8.426 5 U 2943.625 0.00E+00 m 0 0 0 0 0
77 7.005 133.707 8.330 5 U 3082.802 0.00E+00 m 0 0 0 0 0
78 7.003 133.723 7.420 5 U 2950.234 0.00E+00 m 0 0 0 0 0
79 7.006 133.698 6.143 5 U 1286.507 0.00E+00 m 0 0 0 0 0
80 7.004 133.692 3.508 5 U 2438.283 0.00E+00 m 0 0 0 0 0
81 7.005 133.690 3.385 5 U 10811.720 0.00E+00 m 0 0 0 0 0
82 7.006 133.685 2.923 5 U 1824.584 0.00E+00 m 0 0 0 0 0
83 7.006 133.669 1.461 5 U 1459.562 0.00E+00 m 0 0 0 0 0
84 7.002 133.712 1.133 5 U 939.090 0.00E+00 m 0 0 0 0 0
85 7.006 133.652 -0.010 5 U 1258.088 0.00E+00 m 0 0 0 0 0
86 7.005 133.709 -0.230 5 U 2310.593 0.00E+00 m 0 0 0 0 0
87 6.669 117.782 7.430 5 U 4973.923 0.00E+00 m 0 0 0 0 0
88 6.667 117.808 7.002 5 U 30341.740 0.00E+00 m 0 0 0 0 0
89 6.664 117.877 6.145 5 U 1954.597 0.00E+00 m 0 0 0 0 0
90 6.666 117.792 3.548 5 U 1757.424 0.00E+00 m 0 0 0 0 0
91 6.666 117.802 2.904 5 U 3746.451 0.00E+00 m 0 0 0 0 0
92 6.672 117.733 1.081 5 U 2439.961 0.00E+00 m 0 0 0 0 0
93 6.667 117.819 0.942 5 U 8141.026 0.00E+00 m 0 0 0 0 0
94 6.664 117.850 0.530 5 U 1226.364 0.00E+00 m 0 0 0 0 0
95 6.668 117.783 -0.221 5 U 1826.346 0.00E+00 m 0 0 0 0 0
96 7.252 133.497 8.916 5 U 410.569 0.00E+00 m 0 0 0 0 0
97 7.251 133.458 4.280 5 U 4977.329 0.00E+00 m 0 0 0 0 0
98 7.250 133.459 3.177 5 U 17405.989 0.00E+00 m 0 0 0 0 0
99 7.250 133.435 2.462 5 U 1647.357 0.00E+00 m 0 0 0 0 0
100 7.250 133.451 1.745 5 U 5031.624 0.00E+00 m 0 0 0 0 0
101 7.249 133.475 1.260 5 U 782.325 0.00E+00 m 0 0 0 0 0
102 7.251 133.397 0.900 5 U 1318.271 0.00E+00 m 0 0 0 0 0
103 6.922 118.572 7.250 5 U 41705.615 0.00E+00 m 0 0 0 0 0
104 6.924 118.583 2.463 5 U 2897.997 0.00E+00 m 0 0 0 0 0
105 6.924 118.595 2.162 5 U 3299.848 0.00E+00 m 0 0 0 0 0
106 6.923 118.581 1.749 5 U 5628.997 0.00E+00 m 0 0 0 0 0
107 6.925 118.593 1.269 5 U 1107.482 0.00E+00 m 0 0 0 0 0
108 6.921 118.603 0.902 5 U 2070.932 0.00E+00 m 0 0 0 0 0
109 6.234 129.795 7.597 5 U 1384.164429 0.00E+00 m 0 0 0 0 0
110 6.232 129.788 7.318 5 U 5439.278636 0.00E+00 m 0 0 0 0 0
111 6.233 129.824 6.633 5 U 726.0563121 0.00E+00 m 0 0 0 0 0
112 6.234 129.766 4.232 5 U 1111.275258 0.00E+00 m 0 0 0 0 0
113 6.231 129.772 3.111 5 U 10881.35699 0.00E+00 m 0 0 0 0 0
114 6.232 129.772 2.982 5 U 8247.430779 0.00E+00 m 0 0 0 0 0
115 6.229 129.749 1.815 5 U 1653.122846 0.00E+00 m 0 0 0 0 0
116 6.232 129.776 1.611 5 U 1924.240651 0.00E+00 m 0 0 0 0 0
117 6.231 129.753 -1.235 5 U 4931.252513 0.00E+00 m 0 0 0 0 0
118 6.346 130.745 7.598 5 U 2343.879284 0.00E+00 m 0 0 0 0 0
119 6.348 130.763 7.317 5 U 2957.527854 0.00E+00 m 0 0 0 0 0
120 6.347 130.720 6.922 5 U 2619.061279 0.00E+00 m 0 0 0 0 0
121 6.347 130.758 6.221 5 U 75902.89418 0.00E+00 m 0 0 0 0 0
122 6.348 130.775 4.236 5 U 3575.979892 0.00E+00 m 0 0 0 0 0
123 6.348 130.775 3.748 5 U 2791.285844 0.00E+00 m 0 0 0 0 0
124 6.346 130.776 3.102 5 U 2215.825861 0.00E+00 m 0 0 0 0 0
125 6.348 130.760 2.978 5 U 3709.253762 0.00E+00 m 0 0 0 0 0
126 6.349 130.775 1.808 5 U 2962.935014 0.00E+00 m 0 0 0 0 0
127 6.347 130.765 1.607 5 U 4173.254672 0.00E+00 m 0 0 0 0 0
128 6.346 130.751 -1.243 5 U 3813.966 0.00E+00 m 0 0 0 0 0
129 6.805 131.490 8.400 5 U 2529.378734 0.00E+00 m 0 0 0 0 0
130 6.804 131.366 8.149 5 U 535.0266849 0.00E+00 m 0 0 0 0 0
131 6.806 131.517 7.385 5 U 2696.01584 0.00E+00 m 0 0 0 0 0
132 6.804 131.500 6.148 5 U 2303.451718 0.00E+00 m 0 0 0 0 0
133 6.809 131.409 1.121 5 U 6302.331543 0.00E+00 m 0 0 0 0 0
134 6.808 131.432 0.950 5 U 1718.166576 0.00E+00 m 0 0 0 0 0
135 6.808 131.421 0.534 5 U 4208.622113 0.00E+00 m 0 0 0 0 0
136 6.809 131.412 0.162 5 U 4470.19761 0.00E+00 m 0 0 0 0 0
137 6.807 131.449 -0.009 5 U 713.9009812 0.00E+00 m 0 0 0 0 0
138 6.805 131.491 -0.211 5 U 2809.327788 0.00E+00 m 0 0 0 0 0
139 6.809 131.402 -0.500 5 U 6509.644991 0.00E+00 m 0 0 0 0 0
140 7.093 131.687 7.388 5 U 4451.531428 0.00E+00 m 0 0 0 0 0
141 7.093 131.685 7.254 5 U 11371.13148 0.00E+00 m 0 0 0 0 0
142 7.093 131.691 6.814 5 U 27949.91122 0.00E+00 m 0 0 0 0 0
143 7.094 131.706 6.660 5 U 2822.633501 0.00E+00 m 0 0 0 0 0
144 7.093 131.698 6.145 5 U 15041.06445 0.00E+00 m 0 0 0 0 0
145 7.092 131.697 1.080 5 U 6463.832786 0.00E+00 m 0 0 0 0 0
146 7.091 131.666 -0.210 5 U 1895.099709 0.00E+00 m 0 0 0 0 0
147 7.091 131.658 -0.501 5 U 2412.309 0.00E+00 m 0 0 0 0 0
148 6.901 132.119 8.424 5 U 1046.83066 0.00E+00 m 0 0 0 0 0
149 6.903 132.128 8.109 5 U 4142.890481 0.00E+00 m 0 0 0 0 0
150 6.904 132.112 7.163 5 U 33302.03929 0.00E+00 m 0 0 0 0 0
151 6.903 132.106 3.772 5 U 4572.143196 0.00E+00 m 0 0 0 0 0
152 6.904 132.117 3.082 5 U 10764.71953 0.00E+00 m 0 0 0 0 0
153 6.904 132.126 2.131 5 U 876.8368889 0.00E+00 m 0 0 0 0 0
154 6.905 132.121 1.953 5 U 1416.592587 0.00E+00 m 0 0 0 0 0
155 6.903 132.125 1.422 5 U 937.1066823 0.00E+00 m 0 0 0 0 0
156 6.902 132.125 1.008 5 U 2081.693941 0.00E+00 m 0 0 0 0 0
157 6.905 132.107 0.670 5 U 1242.708812 0.00E+00 m 0 0 0 0 0
158 6.904 132.131 0.416 5 U 546.2379007 0.00E+00 m 0 0 0 0 0
159 6.904 132.105 0.165 5 U 1051.537817 0.00E+00 m 0 0 0 0 0
160 6.904 132.109 -0.500 5 U 8383.452292 0.00E+00 m 0 0 0 0 0
161 7.167 130.752 5.386 5 U 2586.668535 0.00E+00 m 0 0 0 0 0
162 7.155 129.216 3.422 5 U 38097.17685 0.00E+00 m 0 0 0 0 0
163 7.154 129.221 3.083 5 U 37511.69656 0.00E+00 m 0 0 0 0 0
164 7.168 130.802 0.975 5 U 2419.556496 0.00E+00 m 0 0 0 0 0
165 7.169 130.764 0.670 5 U 8955.684593 0.00E+00 m 0 0 0 0 0
166 7.168 130.755 0.379 5 U 2185.312999 0.00E+00 m 0 0 0 0 0
167 7.167 130.730 -0.500 5 U 1111.583502 0.00E+00 m 0 0 0 0 0
168 7.487 131.870 8.100 5 U 1748.991 0.00E+00 m 0 0 0 0 0
169 7.489 131.880 7.387 5 U 80964.085 0.00E+00 m 0 0 0 0 0
170 7.489 131.872 4.532 5 U 1535.196 0.00E+00 m 0 0 0 0 0
171 7.488 131.900 2.985 5 U 2060.588 0.00E+00 m 0 0 0 0 0
172 7.489 131.884 2.710 5 U 9101.594 0.00E+00 m 0 0 0 0 0
173 7.489 131.871 2.257 5 U 6227.096 0.00E+00 m 0 0 0 0 0
174 7.484 131.869 1.713 5 U 4199.542 0.00E+00 m 0 0 0 0 0
175 7.490 131.840 1.427 5 U 912.422 0.00E+00 m 0 0 0 0 0
176 7.489 131.890 0.827 5 U 2609.205 0.00E+00 m 0 0 0 0 0
177 7.489 131.867 0.427 5 U 6606.525 0.00E+00 m 0 0 0 0 0
178 7.488 131.877 -0.500 5 U 873.265 0.00E+00 m 0 0 0 0 0
179 7.386 131.442 4.056 5 U 3504.123 0.00E+00 m 0 0 0 0 0
180 7.384 131.396 2.257 5 U 7904.723 0.00E+00 m 0 0 0 0 0
181 7.384 131.431 0.427 5 U 3102.396 0.00E+00 m 0 0 0 0 0
182 7.591 132.751 7.324 5 U 20938.922 0.00E+00 m 0 0 0 0 0
183 7.591 132.761 6.934 5 U 2553.990 0.00E+00 m 0 0 0 0 0
184 7.591 132.756 6.659 5 U 2490.436 0.00E+00 m 0 0 0 0 0
185 7.591 132.747 4.165 5 U 3210.944 0.00E+00 m 0 0 0 0 0
186 7.591 132.759 2.826 5 U 2815.143 0.00E+00 m 0 0 0 0 0
187 7.591 132.771 0.381 5 U 1559.052 0.00E+00 m 0 0 0 0 0
188 7.592 132.725 0.001 5 U 305.532 0.00E+00 m 0 0 0 0 0
189 7.436 132.271 9.315 5 U 3355.879 0.00E+00 m 0 0 0 0 0
190 7.437 132.266 7.739 5 U 6296.158 0.00E+00 m 0 0 0 0 0
191 7.436 132.266 6.666 5 U 9536.867 0.00E+00 m 0 0 0 0 0
192 7.437 132.246 6.160 5 U 3334.544 0.00E+00 m 0 0 0 0 0
193 7.437 132.275 3.410 5 U 6919.768 0.00E+00 m 0 0 0 0 0
194 7.436 132.263 3.018 5 U 2403.748 0.00E+00 m 0 0 0 0 0
195 7.437 132.267 2.870 5 U 8660.517 0.00E+00 m 0 0 0 0 0
196 7.436 132.260 0.940 5 U 8085.361 0.00E+00 m 0 0 0 0 0
197 7.437 132.235 0.770 5 U 4823.323 0.00E+00 m 0 0 0 0 0
198 7.436 132.284 -1.240 5 U 3257.150 0.00E+00 m 0 0 0 0 0
199 7.395 130.886 7.963 5 U 2654.445514 0.00E+00 m 0 0 0 0 0
200 7.397 130.889 3.263 5 U 10240.53524 0.00E+00 m 0 0 0 0 0
201 7.397 130.901 1.641 5 U 4733.314783 0.00E+00 m 0 0 0 0 0
202 7.395 130.924 1.060 5 U 1990.781896 0.00E+00 m 0 0 0 0 0
203 7.396 130.905 0.930 5 U 1194.194659 0.00E+00 m 0 0 0 0 0
204 7.321 131.397 6.666 5 U 4763.129217 0.00E+00 m 0 0 0 0 0
205 7.320 131.331 6.160 5 U 3107.816661 0.00E+00 m 0 0 0 0 0
206 7.320 131.327 1.950 5 U 29161.15945 0.00E+00 m 0 0 0 0 0
207 7.328 131.308 1.635 5 U 6391.591575 0.00E+00 m 0 0 0 0 0
208 7.324 131.289 1.444 5 U 6163.456033 0.00E+00 m 0 0 0 0 0
209 7.329 131.140 1.071 5 U 11700.40838 0.00E+00 m 0 0 0 0 0
210 7.325 131.406 0.940 5 U 18802.5324 0.00E+00 m 0 0 0 0 0
211 7.323 131.467 0.770 5 U 11253.37913 0.00E+00 m 0 0 0 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 . . 10403 Hz . . . 4.82 . . 34459 3
2 . . C 13 C-aromatic . . 6037 Hz . . . 128.88 . . 34459 3
3 . . H 1 H . . 10403 Hz . . . 4.82 . . 34459 3
stop_
save_