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 31022
_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 2.062 8.767 1 U 2.190000E+06 0.000000E+00 e 0 0 0
2 1.491 8.340 1 U 2.850000E+06 0.000000E+00 e 0 0 0
3 2.031 8.336 1 U 2.560000E+06 0.000000E+00 e 0 0 0
4 0.897 8.012 1 U 2.280000E+06 0.000000E+00 e 0 0 0
5 0.877 8.017 1 U 6.500000E+06 0.000000E+00 e 0 0 0
6 0.819 8.023 1 U 1.510000E+06 0.000000E+00 e 0 0 0
7 1.368 8.019 1 U 4.140000E+06 0.000000E+00 e 0 0 0
8 1.900 8.023 1 U 9.810000E+05 0.000000E+00 e 0 0 0
9 2.064 8.015 1 U 2.540000E+06 0.000000E+00 e 0 0 0
10 4.205 8.761 1 U 2.250000E+06 0.000000E+00 e 0 0 0
11 4.203 8.340 1 U 7.230000E+06 0.000000E+00 e 0 0 0
12 4.903 8.775 1 U 3.640000E+06 0.000000E+00 e 0 0 0
13 5.287 8.776 1 U 2.200000E+06 0.000000E+00 e 0 0 0
14 4.512 8.015 1 U 7.720000E+06 0.000000E+00 e 0 0 0
15 4.589 8.332 1 U 1.510000E+06 0.000000E+00 e 0 0 0
16 4.512 7.299 1 U 4.200000E+06 0.000000E+00 e 0 0 0
17 4.395 7.309 1 U 3.380000E+06 0.000000E+00 e 0 0 0
18 3.712 7.296 1 U 2.170000E+06 0.000000E+00 e 0 0 0
19 3.081 7.296 1 U 1.830000E+06 0.000000E+00 e 0 0 0
20 1.897 7.295 1 U 1.880000E+06 0.000000E+00 e 0 0 0
21 1.468 7.296 1 U 1.670000E+06 0.000000E+00 e 0 0 0
22 1.367 7.296 1 U 5.660000E+06 0.000000E+00 e 0 0 0
23 0.820 7.295 1 U 1.750000E+06 0.000000E+00 e 0 0 0
24 0.847 8.774 1 U 2.040000E+06 0.000000E+00 e 0 0 0
25 0.811 8.776 1 U 4.390000E+06 0.000000E+00 e 0 0 0
26 8.769 8.340 1 U 6.060000E+06 0.000000E+00 e 0 0 0
27 8.333 8.775 1 U 6.900000E+06 0.000000E+00 e 0 0 0
28 7.301 8.013 1 U 4.520000E+06 0.000000E+00 e 0 0 0
29 8.017 7.296 1 U 5.010000E+06 0.000000E+00 e 0 0 0
30 4.202 5.290 1 U 3.560000E+06 0.000000E+00 e 0 0 0
31 3.712 5.130 1 U 2.170000E+06 0.000000E+00 e 0 0 0
32 3.651 5.132 1 U 2.050000E+06 0.000000E+00 e 0 0 0
33 2.305 8.325 1 U 9.250000E+05 0.000000E+00 e 0 0 0
34 3.085 8.010 1 U 1.100000E+06 0.000000E+00 e 0 0 0
35 2.938 8.777 1 U 1.180000E+06 0.000000E+00 e 0 0 0
36 0.841 5.290 1 U 3.110000E+06 0.000000E+00 e 0 0 0
37 0.888 5.146 1 U 2.070000E+06 0.000000E+00 e 0 0 0
38 1.797 5.290 1 U 2.280000E+06 0.000000E+00 e 0 0 0
39 1.852 3.538 1 U 2.280000E+06 0.000000E+00 e 0 0 0
40 1.853 3.451 1 U 1.800000E+06 0.000000E+00 e 0 0 0
41 1.649 3.447 1 U 9.660000E+05 0.000000E+00 e 0 0 0
42 1.637 3.538 1 U 1.120000E+06 0.000000E+00 e 0 0 0
43 1.983 3.639 1 U 1.750000E+06 0.000000E+00 e 0 0 0
44 1.985 3.702 1 U -1.220000E+05 0.000000E+00 e 0 0 0
45 1.899 3.704 1 U 2.020000E+06 0.000000E+00 e 0 0 0
46 1.899 3.639 1 U 1.060000E+06 0.000000E+00 e 0 0 0
47 1.488 3.636 1 U 9.440000E+05 0.000000E+00 e 0 0 0
48 0.890 3.653 1 U 1.110000E+06 0.000000E+00 e 0 0 0
49 0.887 3.725 1 U 6.960000E+05 0.000000E+00 e 0 0 0
50 5.138 3.651 1 U 6.000000E+06 0.000000E+00 e 0 0 0
51 5.138 3.711 1 U 5.630000E+06 0.000000E+00 e 0 0 0
52 5.287 2.935 1 U 3.490000E+06 0.000000E+00 e 0 0 0
53 5.138 3.082 1 U 2.970000E+06 0.000000E+00 e 0 0 0
54 4.899 2.936 1 U 2.920000E+07 0.000000E+00 e 0 0 0
55 4.204 2.935 1 U 2.760000E+06 0.000000E+00 e 0 0 0
56 2.069 3.083 1 U 6.660000E+06 0.000000E+00 e 0 0 0
57 2.061 2.935 1 U 3.810000E+06 0.000000E+00 e 0 0 0
58 1.792 2.935 1 U 4.960000E+06 0.000000E+00 e 0 0 0
59 1.778 3.083 1 U 9.550000E+06 0.000000E+00 e 0 0 0
60 1.471 3.083 1 U 5.650000E+06 0.000000E+00 e 0 0 0
61 1.510 3.083 1 U 3.340000E+06 0.000000E+00 e 0 0 0
62 1.367 3.082 1 U 4.110000E+06 0.000000E+00 e 0 0 0
63 1.369 2.935 1 U 1.410000E+06 0.000000E+00 e 0 0 0
64 1.255 2.935 1 U 5.630000E+06 0.000000E+00 e 0 0 0
65 0.848 2.936 1 U 1.200000E+07 0.000000E+00 e 0 0 0
66 0.900 3.083 1 U 6.990000E+06 0.000000E+00 e 0 0 0
67 0.953 3.083 1 U 2.660000E+06 0.000000E+00 e 0 0 0
68 0.820 3.083 1 U 9.100000E+06 0.000000E+00 e 0 0 0
69 1.905 2.244 1 U 1.380000E+07 0.000000E+00 e 0 0 0
70 2.031 2.320 1 U 8.820000E+06 0.000000E+00 e 0 0 0
71 4.202 2.294 1 U 3.780000E+06 0.000000E+00 e 0 0 0
72 4.395 2.235 1 U 6.930000E+06 0.000000E+00 e 0 0 0
73 5.291 1.795 1 U 2.810000E+06 0.000000E+00 e 0 0 0
74 5.138 1.780 1 U 3.540000E+06 0.000000E+00 e 0 0 0
75 4.896 2.072 1 U 2.040000E+06 0.000000E+00 e 0 0 0
76 5.137 1.481 1 U 2.720000E+06 0.000000E+00 e 0 0 0
77 5.286 1.235 1 U 2.030000E+06 0.000000E+00 e 0 0 0
78 5.292 1.369 1 U 8.960000E+05 0.000000E+00 e 0 0 0
79 5.285 0.815 1 U 1.580000E+06 0.000000E+00 e 0 0 0
80 5.138 0.885 1 U 5.510000E+06 0.000000E+00 e 0 0 0
81 4.899 0.845 1 U 2.730000E+06 0.000000E+00 e 0 0 0
82 4.900 0.815 1 U 3.200000E+06 0.000000E+00 e 0 0 0
83 4.899 0.807 1 U 3.210000E+06 0.000000E+00 e 0 0 0
84 4.897 0.853 1 U 2.640000E+06 0.000000E+00 e 0 0 0
85 4.590 0.874 1 U 3.630000E+06 0.000000E+00 e 0 0 0
86 4.511 0.821 1 U 4.810000E+06 0.000000E+00 e 0 0 0
87 4.506 1.362 1 U 4.040000E+06 0.000000E+00 e 0 0 0
88 4.395 1.900 1 U 4.910000E+06 0.000000E+00 e 0 0 0
89 4.203 2.023 1 U 2.700000E+06 0.000000E+00 e 0 0 0
90 3.644 1.986 1 U 2.930000E+06 0.000000E+00 e 0 0 0
91 3.651 1.895 1 U 2.210000E+06 0.000000E+00 e 0 0 0
92 3.712 1.895 1 U 5.200000E+06 0.000000E+00 e 0 0 0
93 3.537 1.838 1 U 1.800000E+06 0.000000E+00 e 0 0 0
94 3.437 1.857 1 U 1.790000E+06 0.000000E+00 e 0 0 0
95 3.543 1.646 1 U 1.310000E+06 0.000000E+00 e 0 0 0
96 3.644 1.487 1 U 9.910000E+05 0.000000E+00 e 0 0 0
97 3.651 0.884 1 U 1.400000E+06 0.000000E+00 e 0 0 0
98 3.713 0.883 1 U 2.050000E+06 0.000000E+00 e 0 0 0
99 3.085 0.880 1 U 3.860000E+06 0.000000E+00 e 0 0 0
100 3.099 0.797 1 U 1.840000E+05 0.000000E+00 e 0 0 0
101 2.937 0.814 1 U 1.740000E+06 0.000000E+00 e 0 0 0
102 3.084 0.945 1 U 1.730000E+06 0.000000E+00 e 0 0 0
103 3.085 1.367 1 U 2.800000E+06 0.000000E+00 e 0 0 0
104 3.084 1.463 1 U 4.520000E+06 0.000000E+00 e 0 0 0
105 3.084 1.764 1 U 4.440000E+06 0.000000E+00 e 0 0 0
106 3.084 2.063 1 U 4.330000E+06 0.000000E+00 e 0 0 0
107 2.937 2.063 1 U 2.700000E+06 0.000000E+00 e 0 0 0
108 2.937 1.807 1 U 3.200000E+06 0.000000E+00 e 0 0 0
109 2.304 2.019 1 U 1.220000E+07 0.000000E+00 e 0 0 0
110 2.236 1.984 1 U 3.780000E+06 0.000000E+00 e 0 0 0
111 2.239 1.895 1 U 1.720000E+07 0.000000E+00 e 0 0 0
112 2.293 1.843 1 U 1.430000E+06 0.000000E+00 e 0 0 0
113 2.024 1.648 1 U 2.310000E+06 0.000000E+00 e 0 0 0
114 2.031 1.505 1 U 2.060000E+06 0.000000E+00 e 0 0 0
115 1.847 1.647 1 U 1.190000E+07 0.000000E+00 e 0 0 0
116 1.840 1.481 1 U 1.670000E+07 0.000000E+00 e 0 0 0
117 1.778 1.504 1 U 1.910000E+07 0.000000E+00 e 0 0 0
118 1.796 1.236 1 U 9.350000E+06 0.000000E+00 e 0 0 0
119 2.068 0.844 1 U 9.120000E+06 0.000000E+00 e 0 0 0
120 2.072 0.900 1 U 7.970000E+06 0.000000E+00 e 0 0 0
121 2.069 0.873 1 U 1.190000E+07 0.000000E+00 e 0 0 0
122 2.065 0.807 1 U 9.280000E+06 0.000000E+00 e 0 0 0
123 1.797 0.843 1 U 2.550000E+06 0.000000E+00 e 0 0 0
124 1.846 0.875 1 U 3.830000E+06 0.000000E+00 e 0 0 0
125 1.846 0.927 1 U 3.910000E+06 0.000000E+00 e 0 0 0
126 1.770 0.945 1 U 2.060000E+06 0.000000E+00 e 0 0 0
127 1.654 1.854 1 U 1.140000E+07 0.000000E+00 e 0 0 0
128 1.862 2.028 1 U 1.980000E+06 0.000000E+00 e 0 0 0
129 1.499 2.023 1 U 1.460000E+06 0.000000E+00 e 0 0 0
130 1.650 2.033 1 U 5.670000E+05 0.000000E+00 e 0 0 0
131 1.490 1.865 1 U 1.130000E+07 0.000000E+00 e 0 0 0
132 1.506 1.782 1 U 1.980000E+07 0.000000E+00 e 0 0 0
133 1.251 1.809 1 U 8.980000E+06 0.000000E+00 e 0 0 0
134 0.920 1.846 1 U 3.340000E+06 0.000000E+00 e 0 0 0
135 0.870 1.845 1 U 4.380000E+06 0.000000E+00 e 0 0 0
136 0.950 1.780 1 U 2.450000E+06 0.000000E+00 e 0 0 0
137 0.840 1.807 1 U 2.380000E+06 0.000000E+00 e 0 0 0
138 0.811 2.071 1 U 6.950000E+06 0.000000E+00 e 0 0 0
139 0.877 2.069 1 U 6.310000E+06 0.000000E+00 e 0 0 0
140 0.930 1.504 1 U 3.540000E+06 0.000000E+00 e 0 0 0
141 0.821 1.488 1 U 4.160000E+06 0.000000E+00 e 0 0 0
142 0.882 1.481 1 U 5.060000E+06 0.000000E+00 e 0 0 0
143 0.818 1.368 1 U 1.070000E+07 0.000000E+00 e 0 0 0
144 0.841 1.242 1 U 2.830000E+06 0.000000E+00 e 0 0 0
145 1.785 1.365 1 U 2.050000E+06 0.000000E+00 e 0 0 0
146 1.370 0.829 1 U 2.160000E+07 0.000000E+00 e 0 0 0
147 1.489 0.883 1 U 5.830000E+06 0.000000E+00 e 0 0 0
148 7.304 3.083 1 U 2.860000E+06 0.000000E+00 e 0 0 0
149 8.021 3.082 1 U 2.210000E+06 0.000000E+00 e 0 0 0
150 7.304 1.895 1 U 1.650000E+06 0.000000E+00 e 0 0 0
151 7.300 1.452 1 U 1.500000E+06 0.000000E+00 e 0 0 0
152 7.301 1.364 1 U 4.510000E+06 0.000000E+00 e 0 0 0
153 8.018 2.063 1 U 3.190000E+06 0.000000E+00 e 0 0 0
154 8.018 1.365 1 U 4.300000E+06 0.000000E+00 e 0 0 0
155 8.018 0.879 1 U 6.320000E+06 0.000000E+00 e 0 0 0
156 8.771 0.807 1 U 3.480000E+06 0.000000E+00 e 0 0 0
157 8.768 0.845 1 U 1.640000E+06 0.000000E+00 e 0 0 0
158 8.333 1.503 1 U 3.470000E+06 0.000000E+00 e 0 0 0
159 8.333 2.036 1 U 2.750000E+06 0.000000E+00 e 0 0 0
160 8.770 2.059 1 U 2.950000E+06 0.000000E+00 e 0 0 0
161 8.335 2.309 1 U 1.060000E+06 0.000000E+00 e 0 0 0
162 8.772 2.936 1 U 1.170000E+06 0.000000E+00 e 0 0 0
163 8.774 5.289 1 U 1.210000E+06 0.000000E+00 e 0 0 0
164 3.446 3.537 1 U 2.440000E+07 0.000000E+00 e 0 0 0
165 3.534 3.436 1 U 2.460000E+07 0.000000E+00 e 0 0 0
166 3.650 3.710 1 U 2.180000E+07 0.000000E+00 e 0 0 0
167 3.711 3.651 1 U 2.680000E+07 0.000000E+00 e 0 0 0
168 1.856 2.320 1 U 1.960000E+06 0.000000E+00 e 0 0 0
169 1.503 2.289 1 U 5.810000E+05 0.000000E+00 e 0 0 0
170 2.934 1.246 1 U 2.870000E+06 0.000000E+00 e 0 0 0
171 2.936 0.845 1 U 5.960000E+06 0.000000E+00 e 0 0 0
172 4.590 1.481 1 U 1.230000E+06 0.000000E+00 e 0 0 0
173 4.590 1.845 1 U 2.500000E+06 0.000000E+00 e 0 0 0
174 1.240 5.274 1 U 1.460000E+06 0.000000E+00 e 0 0 0
175 1.442 3.082 1 U 5.170000E+06 0.000000E+00 e 0 0 0
176 1.374 1.815 1 U 8.510000E+05 0.000000E+00 e 0 0 0
177 5.294 4.202 1 U 1.750000E+05 0.000000E+00 e 0 0 0
178 2.031 2.307 1 U 1.100000E+07 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 . . 31022 1
2 . . H 1 H . . 6002 Hz . . . 4.63 . . 31022 1
stop_
save_