Content for NMR-STAR saveframe, "spectral_peak_list_1"
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 31000
_Spectral_peak_list.ID 1
_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 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 4
_Spectral_peak_list.Experiment_name '2D 1H-1H NOESY'
_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 'modified for non-standard amino acids and cyclic peptide analysis'
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Number of dimensions 2
#FORMAT xeasy2D
#INAME 1 H1
#INAME 2 H2
#SPECTRUM NOESY H1 H2
1 3.639 5.116 1 U 4.680000E+05 0.000000E+00 e 0 0 0
2 3.715 5.117 1 U 5.410000E+05 0.000000E+00 e 0 0 0
3 2.931 4.890 1 U 1.300000E+06 0.000000E+00 e 0 0 0
4 1.797 5.292 1 U 3.520000E+05 0.000000E+00 e 0 0 0
5 1.778 5.119 1 U 2.020000E+05 0.000000E+00 e 0 0 0
6 1.499 5.114 1 U 1.860000E+05 0.000000E+00 e 0 0 0
7 8.771 5.292 1 U 6.860000E+04 0.000000E+00 e 0 0 0
8 8.771 4.902 1 U 1.140000E+05 0.000000E+00 e 0 0 0
9 4.201 5.290 1 U 4.450000E+05 0.000000E+00 e 0 0 0
10 2.931 5.286 1 U 1.180000E+05 0.000000E+00 e 0 0 0
11 1.250 5.284 1 U 2.680000E+05 0.000000E+00 e 0 0 0
12 0.840 5.294 1 U 4.760000E+05 0.000000E+00 e 0 0 0
13 1.379 5.294 1 U 7.600000E+04 0.000000E+00 e 0 0 0
14 1.836 4.189 1 U 7.200000E+04 0.000000E+00 e 0 0 0
15 2.020 4.199 1 U 2.230000E+05 0.000000E+00 e 0 0 0
16 2.302 4.200 1 U 4.320000E+05 0.000000E+00 e 0 0 0
17 5.294 4.202 1 U 5.020000E+05 0.000000E+00 e 0 0 0
18 5.295 2.938 1 U 2.070000E+05 0.000000E+00 e 0 0 0
19 0.897 3.089 1 U 3.850000E+05 0.000000E+00 e 0 0 0
20 0.819 3.089 1 U 2.890000E+05 0.000000E+00 e 0 0 0
21 0.952 3.088 1 U 1.320000E+05 0.000000E+00 e 0 0 0
22 1.363 3.089 1 U 1.610000E+05 0.000000E+00 e 0 0 0
23 1.466 3.088 1 U 5.870000E+05 0.000000E+00 e 0 0 0
24 1.782 3.086 1 U 5.790000E+05 0.000000E+00 e 0 0 0
25 2.074 3.088 1 U 3.940000E+05 0.000000E+00 e 0 0 0
26 2.071 2.938 1 U 2.970000E+05 0.000000E+00 e 0 0 0
27 1.798 2.937 1 U 4.690000E+05 0.000000E+00 e 0 0 0
28 1.369 2.938 1 U 1.320000E+05 0.000000E+00 e 0 0 0
29 1.251 2.937 1 U 4.890000E+05 0.000000E+00 e 0 0 0
30 0.842 2.937 1 U 6.140000E+05 0.000000E+00 e 0 0 0
31 5.132 3.093 1 U 7.320000E+04 0.000000E+00 e 0 0 0
32 1.900 4.390 1 U 2.360000E+05 0.000000E+00 e 0 0 0
33 2.232 4.391 1 U 3.670000E+05 0.000000E+00 e 0 0 0
34 1.896 3.715 1 U 3.420000E+05 0.000000E+00 e 0 0 0
35 1.896 3.646 1 U 2.220000E+05 0.000000E+00 e 0 0 0
36 1.988 3.642 1 U 2.080000E+05 0.000000E+00 e 0 0 0
37 1.979 3.712 1 U 1.060000E+05 0.000000E+00 e 0 0 0
38 0.880 3.716 1 U 1.370000E+05 0.000000E+00 e 0 0 0
39 0.882 3.650 1 U 8.290000E+04 0.000000E+00 e 0 0 0
40 1.654 3.532 1 U 2.200000E+05 0.000000E+00 e 0 0 0
41 1.655 3.443 1 U 1.240000E+05 0.000000E+00 e 0 0 0
42 1.843 3.432 1 U 1.710000E+05 0.000000E+00 e 0 0 0
43 1.853 3.538 1 U 1.930000E+05 0.000000E+00 e 0 0 0
44 2.303 3.430 1 U 1.180000E+05 0.000000E+00 e 0 0 0
45 1.501 3.652 1 U 1.420000E+05 0.000000E+00 e 0 0 0
46 5.121 3.641 1 U 5.320000E+05 0.000000E+00 e 0 0 0
47 5.121 3.714 1 U 5.730000E+05 0.000000E+00 e 0 0 0
48 4.201 2.299 1 U 3.190000E+05 0.000000E+00 e 0 0 0
49 4.201 2.029 1 U 1.720000E+05 0.000000E+00 e 0 0 0
50 4.393 2.238 1 U 2.310000E+05 0.000000E+00 e 0 0 0
51 4.381 1.895 1 U 1.040000E+05 0.000000E+00 e 0 0 0
52 4.192 1.658 1 U 4.350000E+04 0.000000E+00 e 0 0 0
53 3.536 1.655 1 U 3.080000E+05 0.000000E+00 e 0 0 0
54 3.438 1.637 1 U 9.720000E+04 0.000000E+00 e 0 0 0
55 3.437 1.849 1 U 2.370000E+05 0.000000E+00 e 0 0 0
56 3.535 1.844 1 U 2.160000E+05 0.000000E+00 e 0 0 0
57 3.436 2.293 1 U 6.570000E+04 0.000000E+00 e 0 0 0
58 3.637 2.229 1 U 8.030000E+04 0.000000E+00 e 0 0 0
59 3.636 1.985 1 U 2.180000E+05 0.000000E+00 e 0 0 0
60 3.711 1.977 1 U 1.350000E+05 0.000000E+00 e 0 0 0
61 3.637 1.897 1 U 1.720000E+05 0.000000E+00 e 0 0 0
62 3.712 1.891 1 U 2.420000E+05 0.000000E+00 e 0 0 0
63 8.011 2.069 1 U 6.120000E+04 0.000000E+00 e 0 0 0
64 8.773 2.071 1 U 9.090000E+04 0.000000E+00 e 0 0 0
65 8.010 1.358 1 U 1.150000E+05 0.000000E+00 e 0 0 0
66 8.012 0.870 1 U 1.400000E+05 0.000000E+00 e 0 0 0
67 5.294 1.791 1 U 2.200000E+05 0.000000E+00 e 0 0 0
68 5.294 1.255 1 U 1.960000E+05 0.000000E+00 e 0 0 0
69 5.295 0.843 1 U 3.640000E+05 0.000000E+00 e 0 0 0
70 2.931 1.795 1 U 1.970000E+05 0.000000E+00 e 0 0 0
71 2.931 1.237 1 U 2.650000E+05 0.000000E+00 e 0 0 0
72 4.903 0.811 1 U 1.990000E+05 0.000000E+00 e 0 0 0
73 4.905 0.845 1 U 1.980000E+05 0.000000E+00 e 0 0 0
74 4.625 0.884 1 U 4.460000E+04 0.000000E+00 e 0 0 0
75 5.120 0.884 1 U 3.310000E+05 0.000000E+00 e 0 0 0
76 3.086 1.775 1 U 3.330000E+05 0.000000E+00 e 0 0 0
77 5.294 1.365 1 U 5.810000E+04 0.000000E+00 e 0 0 0
78 4.493 1.363 1 U 2.180000E+05 0.000000E+00 e 0 0 0
79 5.119 1.782 1 U 1.480000E+05 0.000000E+00 e 0 0 0
80 5.121 1.488 1 U 2.120000E+05 0.000000E+00 e 0 0 0
81 3.642 1.497 1 U 9.630000E+04 0.000000E+00 e 0 0 0
82 3.087 1.474 1 U 2.560000E+05 0.000000E+00 e 0 0 0
83 3.085 2.074 1 U 2.490000E+05 0.000000E+00 e 0 0 0
84 2.929 2.070 1 U 1.110000E+05 0.000000E+00 e 0 0 0
85 2.014 1.647 1 U 1.520000E+05 0.000000E+00 e 0 0 0
86 2.028 1.509 1 U 2.010000E+05 0.000000E+00 e 0 0 0
87 2.300 1.481 1 U 6.870000E+04 0.000000E+00 e 0 0 0
88 1.796 1.253 1 U 1.110000E+06 0.000000E+00 e 0 0 0
89 1.844 1.645 1 U 6.560000E+05 0.000000E+00 e 0 0 0
90 1.649 1.842 1 U 7.540000E+05 0.000000E+00 e 0 0 0
91 1.644 2.016 1 U 1.670000E+05 0.000000E+00 e 0 0 0
92 1.505 2.021 1 U 1.570000E+05 0.000000E+00 e 0 0 0
93 1.483 1.830 1 U 1.030000E+06 0.000000E+00 e 0 0 0
94 1.249 1.794 1 U 1.160000E+06 0.000000E+00 e 0 0 0
95 1.786 1.503 1 U 7.820000E+05 0.000000E+00 e 0 0 0
96 1.839 1.484 1 U 1.200000E+06 0.000000E+00 e 0 0 0
97 0.838 1.242 1 U 2.960000E+05 0.000000E+00 e 0 0 0
98 0.822 1.358 1 U 9.080000E+05 0.000000E+00 e 0 0 0
99 0.820 1.454 1 U 5.530000E+05 0.000000E+00 e 0 0 0
100 0.918 1.500 1 U 4.400000E+05 0.000000E+00 e 0 0 0
101 0.842 1.799 1 U 2.250000E+05 0.000000E+00 e 0 0 0
102 0.952 1.788 1 U 1.200000E+05 0.000000E+00 e 0 0 0
103 0.913 1.844 1 U 2.000000E+05 0.000000E+00 e 0 0 0
104 0.836 2.071 1 U 3.960000E+05 0.000000E+00 e 0 0 0
105 0.878 2.063 1 U 5.080000E+05 0.000000E+00 e 0 0 0
106 3.086 0.901 1 U 2.400000E+05 0.000000E+00 e 0 0 0
107 3.085 0.816 1 U 2.090000E+05 0.000000E+00 e 0 0 0
108 3.636 0.881 1 U 8.940000E+04 0.000000E+00 e 0 0 0
109 3.725 0.879 1 U 1.270000E+05 0.000000E+00 e 0 0 0
110 2.942 0.858 1 U 1.650000E+05 0.000000E+00 e 0 0 0
111 2.930 0.813 1 U 1.650000E+05 0.000000E+00 e 0 0 0
112 2.069 0.909 1 U 3.330000E+05 0.000000E+00 e 0 0 0
113 2.055 0.846 1 U 4.610000E+05 0.000000E+00 e 0 0 0
114 2.068 0.819 1 U 3.790000E+05 0.000000E+00 e 0 0 0
115 1.780 0.944 1 U 1.410000E+05 0.000000E+00 e 0 0 0
116 1.837 0.919 1 U 3.020000E+05 0.000000E+00 e 0 0 0
117 1.839 0.864 1 U 2.420000E+05 0.000000E+00 e 0 0 0
118 1.812 0.847 1 U 2.630000E+05 0.000000E+00 e 0 0 0
119 1.504 0.877 1 U 5.050000E+05 0.000000E+00 e 0 0 0
120 1.360 0.824 1 U 6.770000E+05 0.000000E+00 e 0 0 0
121 1.248 0.824 1 U 3.040000E+05 0.000000E+00 e 0 0 0
122 4.494 0.816 1 U 1.600000E+05 0.000000E+00 e 0 0 0
123 0.820 4.508 1 U 3.050000E+05 0.000000E+00 e 0 0 0
124 1.348 4.494 1 U 3.750000E+05 0.000000E+00 e 0 0 0
125 1.486 4.204 1 U 8.470000E+04 0.000000E+00 e 0 0 0
126 0.882 5.116 1 U 3.520000E+05 0.000000E+00 e 0 0 0
127 0.822 4.888 1 U 2.820000E+05 0.000000E+00 e 0 0 0
128 2.053 4.875 1 U 1.080000E+05 0.000000E+00 e 0 0 0
129 2.931 4.208 1 U 1.000000E+05 0.000000E+00 e 0 0 0
130 0.821 8.766 1 U 1.310000E+05 0.000000E+00 e 0 0 0
131 0.865 7.996 1 U 5.540000E+04 0.000000E+00 e 0 0 0
132 1.349 8.005 1 U 1.070000E+05 0.000000E+00 e 0 0 0
133 2.074 8.016 1 U 7.890000E+04 0.000000E+00 e 0 0 0
134 2.055 8.759 1 U 1.110000E+05 0.000000E+00 e 0 0 0
135 4.904 2.938 1 U 1.720000E+06 0.000000E+00 e 0 0 0
136 2.020 2.303 1 U 6.060000E+05 0.000000E+00 e 0 0 0
137 1.911 2.238 1 U 1.020000E+06 0.000000E+00 e 0 0 0
138 1.857 2.305 1 U 1.670000E+05 0.000000E+00 e 0 0 0
139 2.303 2.033 1 U 8.930000E+05 0.000000E+00 e 0 0 0
140 2.232 1.904 1 U 9.610000E+05 0.000000E+00 e 0 0 0
141 2.232 1.904 1 U 9.610000E+05 0.000000E+00 e 0 0 0
142 2.301 1.856 1 U 1.340000E+05 0.000000E+00 e 0 0 0
143 4.902 2.064 1 U 1.100000E+05 0.000000E+00 e 0 0 0
144 3.074 1.349 1 U 6.420000E+04 0.000000E+00 e 0 0 0
145 0.904 1.470 1 U 3.780000E+05 0.000000E+00 e 0 0 0
146 0.887 1.508 1 U 3.850000E+05 0.000000E+00 e 0 0 0
147 1.781 1.374 1 U 6.720000E+04 0.000000E+00 e 0 0 0
148 2.231 3.656 1 U 7.270000E+04 0.000000E+00 e 0 0 0
149 8.773 0.843 1 U 6.830000E+04 0.000000E+00 e 0 0 0
150 8.757 0.809 1 U 1.080000E+05 0.000000E+00 e 0 0 0
151 5.307 8.778 1 U 4.440000E+04 0.000000E+00 e 0 0 0
152 4.905 8.758 1 U 6.800000E+04 0.000000E+00 e 0 0 0
153 4.493 8.013 1 U 9.960000E+04 0.000000E+00 e 0 0 0
154 3.654 3.717 1 U 1.510000E+06 0.000000E+00 e 0 0 0
155 3.712 3.652 1 U 1.180000E+06 0.000000E+00 e 0 0 0
156 3.436 3.533 1 U 1.700000E+06 0.000000E+00 e 0 0 0
157 3.534 3.439 1 U 1.720000E+06 0.000000E+00 e 0 0 0
158 1.489 2.302 1 U 4.760000E+04 0.000000E+00 e 0 0 0
159 1.651 2.298 1 U 5.650000E+04 0.000000E+00 e 0 0 0
160 1.472 1.792 1 U 3.830000E+05 0.000000E+00 e 0 0 0
161 1.374 1.788 1 U 1.410000E+05 0.000000E+00 e 0 0 0
162 4.202 2.931 1 U 9.870000E+04 0.000000E+00 e 0 0 0
163 1.504 1.788 1 U 1.060000E+06 0.000000E+00 e 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 . . 6010 Hz . . . 4.63 . . 31000 1
2 . . H 1 H . . 6002 Hz . . . 4.63 . . 31000 1
stop_
save_