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 34198
_Spectral_peak_list.ID 1
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 3
_Spectral_peak_list.Experiment_name '2D 1H-1H ROESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 1
_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 2
# INAME 1 H1
# INAME 2 H1
2 7.470 10.181 0 U -2.386e+04 0.00e+00 - 0 82 83 0
# HZ2/HE1 W5
3 7.306 10.181 0 U -4.810e+04 0.00e+00 - 0 81 83 0
# HD1/HE1 W5
4 7.203 10.181 0 U -4.090e+03 0.00e+00 - 0 88 83 0
# HH2/HE1 W5
5 3.064 10.181 0 U -1.194e+03 0.00e+00 - 0 36 83 0
# HB3/HE1 W5
6 7.730 10.181 0 U -1.924e+03 0.00e+00 - 0 95 83 0
# HE3/HE1 W5
7 3.296 10.181 0 U -3.078e+02 0.00e+00 - 0 35 83 0
# HB2/HE1 W5
8 8.187 10.181 0 U -9.606e+02 0.00e+00 - 0 34 83 0
# H/HE1 W5
9 4.967 10.181 0 U -3.903e+02 0.00e+00 - 0 33 83 0
# HA/HE1 W5
11 3.825 3.633 0 U -4.544e+04 0.00e+00 - 0 73 75 0
# HD2/HD3 P3
12 4.885 3.633 0 U -6.184e+03 0.00e+00 - 0 29 75 0
# HA R2/HD3 P3
13 1.953 3.633 0 U -5.012e+03 0.00e+00 - 0 78 75 0
# HG/HD3 P3
14 2.140 3.633 0 U -1.893e+03 0.00e+00 - 0 77 75 0
# HB3/HD3 P3
15 4.286 3.633 0 U -1.015e+04 0.00e+00 - 0 94 75 0
# HA/HD3 P3
16 2.344 3.633 0 U -7.653e+02 0.00e+00 - 0 76 75 0
# HB2/HD3 P3
18 7.683 3.399 0 U -2.063e+03 0.00e+00 - 0 50 51 0
# H/HB 10
19 4.771 3.399 0 U -3.748e+02 0.00e+00 - 0 49 51 0
# HA/HB 10
21 3.301 3.084 0 U -8.199e+04 0.00e+00 - 0 42 43 0
# HB/HB2 7
22 8.040 3.084 0 U -6.744e+02 0.00e+00 - 0 39 43 0
# H/HB2 7
23 4.588 3.084 0 U -1.036e+03 0.00e+00 - 0 38 43 0
# HA/HB2 7
25 1.490 8.151 0 U -4.458e+03 0.00e+00 - 0 99 100 0
# ?/H 20
27 1.554 0.917 0 U -5.159e+04 0.00e+00 - 0 15 92 0
# HB3/HD1 L4
29 2.002 0.917 0 U -3.500e+04 0.00e+00 - 0 14 92 0
# HB2/HD1 L4
30 8.523 0.917 0 U -3.095e+03 0.00e+00 - 0 12 92 0
# H/HD1 L4
31 4.074 0.917 0 U -9.902e+03 0.00e+00 - 0 11 92 0
# HA/HD1 L4
32 1.764 0.917 0 U -3.939e+03 0.00e+00 - 0 93 92 0
# HG/HD1 L4
34 1.620 2.945 0 U -1.539e+04 0.00e+00 - 0 32 63 0
# HG/HD R2
35 1.910 2.945 0 U -1.144e+04 0.00e+00 - 0 31 63 0
# HB/HD R2
36 8.402 2.945 0 U -6.110e+02 0.00e+00 - 0 30 63 0
# H/HD R2
37 4.885 2.945 0 U -3.942e+03 0.00e+00 - 0 29 63 0
# HA/HD R2
38 6.971 2.945 0 U -1.529e+04 0.00e+00 - 0 64 63 0
# HH1/HD R2
39 0.917 1.554 0 U -4.069e+04 0.00e+00 - 0 92 15 0
# HD1/HB3 L4
41 0.867 1.554 0 U -4.894e+04 0.00e+00 - 0 91 15 0
# HD2/HB3 L4
42 2.002 1.554 0 U -3.608e+04 0.00e+00 - 0 14 15 0
# HB2/HB3 L4
43 7.306 1.554 0 U -4.192e+03 0.00e+00 - 0 81 15 0
# HD1 W5/HB3 L4
44 8.523 1.554 0 U -1.727e+03 0.00e+00 - 0 12 15 0
# H/HB3 L4
45 4.074 1.554 0 U -1.459e+04 0.00e+00 - 0 11 15 0
# HA/HB3 L4
47 8.178 1.554 0 U -4.172e+03 0.00e+00 - 0 68 15 0
# H T6/HB3 L4
48 1.764 1.554 0 U -1.218e+04 0.00e+00 - 0 93 15 0
# HG/HB3 L4
49 2.945 1.620 0 U -1.111e+04 0.00e+00 - 0 63 32 0
# HD/HG R2
51 1.910 1.620 0 U -4.520e+04 0.00e+00 - 0 31 32 0
# HB/HG R2
52 8.402 1.620 0 U -1.686e+03 0.00e+00 - 0 30 32 0
# H/HG R2
53 4.885 1.620 0 U -5.277e+03 0.00e+00 - 0 29 32 0
# HA/HG R2
54 6.971 1.620 0 U -3.088e+03 0.00e+00 - 0 64 32 0
# HH1/HG R2
55 10.181 7.470 0 U -1.284e+04 0.00e+00 - 0 83 82 0
# HE1/HZ2 W5
57 7.306 7.470 0 U -9.338e+03 0.00e+00 - 0 81 82 0
# HD1/HZ2 W5
60 7.730 7.470 0 U -7.777e+03 0.00e+00 - 0 95 82 0
# HE3/HZ2 W5
61 3.296 7.470 0 U -1.104e+03 0.00e+00 - 0 35 82 0
# HB2/HZ2 W5
62 8.187 7.470 0 U -2.939e+03 0.00e+00 - 0 34 82 0
# H/HZ2 W5
63 4.967 7.470 0 U -5.095e+03 0.00e+00 - 0 33 82 0
# HA/HZ2 W5
64 3.399 7.683 0 U -3.250e+03 0.00e+00 - 0 51 50 0
# HB/H 10
66 4.771 7.683 0 U -1.461e+03 0.00e+00 - 0 49 50 0
# HA/H 10
67 3.084 3.301 0 U -2.216e+04 0.00e+00 - 0 43 42 0
# HB2/HB 7
69 8.040 3.301 0 U -9.467e+02 0.00e+00 - 0 39 42 0
# H/HB 7
70 4.588 3.301 0 U -2.561e+03 0.00e+00 - 0 38 42 0
# HA/HB 7
71 0.917 0.867 0 U -6.586e+04 0.00e+00 - 0 92 91 0
# HD1/HD2 L4
72 1.554 0.867 0 U -8.451e+04 0.00e+00 - 0 15 91 0
# HB3/HD2 L4
75 8.523 0.867 0 U -2.483e+03 0.00e+00 - 0 12 91 0
# H/HD2 L4
76 4.074 0.867 0 U -3.360e+04 0.00e+00 - 0 11 91 0
# HA/HD2 L4
77 1.764 0.867 0 U -1.355e+03 0.00e+00 - 0 93 91 0
# HG/HD2 L4
79 1.729 7.224 0 U -1.191e+03 0.00e+00 - 0 98 62 0
# HB/H 12
80 3.174 7.224 0 U -6.407e+03 0.00e+00 - 0 61 62 0
# HA/H 12
81 0.917 2.002 0 U -1.414e+04 0.00e+00 - 0 92 14 0
# HD1/HB2 L4
82 1.554 2.002 0 U -4.255e+04 0.00e+00 - 0 15 14 0
# HB3/HB2 L4
83 0.867 2.002 0 U -9.750e+03 0.00e+00 - 0 91 14 0
# HD2/HB2 L4
85 7.306 2.002 0 U -3.023e+03 0.00e+00 - 0 81 14 0
# HD1 W5/HB2 L4
86 8.523 2.002 0 U -1.137e+03 0.00e+00 - 0 12 14 0
# H/HB2 L4
87 4.074 2.002 0 U -7.416e+03 0.00e+00 - 0 11 14 0
# HA/HB2 L4
90 2.945 1.910 0 U -1.119e+04 0.00e+00 - 0 63 31 0
# HD/HB R2
91 1.620 1.910 0 U -3.813e+04 0.00e+00 - 0 32 31 0
# HG/HB R2
93 8.402 1.910 0 U -9.063e+02 0.00e+00 - 0 30 31 0
# H/HB R2
94 4.885 1.910 0 U -9.654e+03 0.00e+00 - 0 29 31 0
# HA/HB R2
95 6.971 1.910 0 U -2.406e+03 0.00e+00 - 0 64 31 0
# HH1/HB R2
96 10.181 7.306 0 U -3.711e+04 0.00e+00 - 0 83 81 0
# HE1/HD1 W5
97 1.554 7.306 0 U -4.636e+03 0.00e+00 - 0 15 81 0
# HB3 L4/HD1 W5
98 7.470 7.306 0 U -1.394e+04 0.00e+00 - 0 82 81 0
# HZ2/HD1 W5
99 2.002 7.306 0 U -7.260e+03 0.00e+00 - 0 14 81 0
# HB2 L4/HD1 W5
102 1.168 7.306 0 U -1.078e+04 0.00e+00 - 0 96 81 0
# HG2 T6/HD1 W5
103 3.064 7.306 0 U -9.004e+03 0.00e+00 - 0 36 81 0
# HB3/HD1 W5
104 7.730 7.306 0 U -7.004e+03 0.00e+00 - 0 95 81 0
# HE3/HD1 W5
105 3.296 7.306 0 U -1.382e+04 0.00e+00 - 0 35 81 0
# HB2/HD1 W5
106 8.187 7.306 0 U -1.008e+04 0.00e+00 - 0 34 81 0
# H/HD1 W5
107 4.967 7.306 0 U -2.401e+04 0.00e+00 - 0 33 81 0
# HA/HD1 W5
108 3.633 3.825 0 U -5.407e+04 0.00e+00 - 0 75 73 0
# HD3/HD2 P3
110 4.885 3.825 0 U -3.755e+04 0.00e+00 - 0 29 73 0
# HA R2/HD2 P3
111 1.953 3.825 0 U -9.528e+03 0.00e+00 - 0 78 73 0
# HG/HD2 P3
112 2.140 3.825 0 U -1.152e+04 0.00e+00 - 0 77 73 0
# HB3/HD2 P3
113 4.286 3.825 0 U -1.442e+04 0.00e+00 - 0 94 73 0
# HA/HD2 P3
114 2.344 3.825 0 U -2.225e+03 0.00e+00 - 0 76 73 0
# HB2/HD2 P3
115 3.399 4.771 0 U -1.724e+02 0.00e+00 - 0 51 49 0
# HB/HA 10
116 7.683 4.771 0 U -1.340e+03 0.00e+00 - 0 50 49 0
# H/HA 10
118 7.224 1.729 0 U -4.429e+03 0.00e+00 - 0 62 98 0
# H/HB 12
120 3.174 1.729 0 U -7.662e+03 0.00e+00 - 0 61 98 0
# HA/HB 12
121 7.224 3.174 0 U -7.369e+03 0.00e+00 - 0 62 61 0
# H/HA 12
122 1.729 3.174 0 U -6.584e+03 0.00e+00 - 0 98 61 0
# HB/HA 12
124 0.917 8.523 0 U -4.831e+03 0.00e+00 - 0 92 12 0
# HD1/H L4
125 1.554 8.523 0 U -3.535e+03 0.00e+00 - 0 15 12 0
# HB3/H L4
126 0.867 8.523 0 U -6.795e+03 0.00e+00 - 0 91 12 0
# HD2/H L4
127 2.002 8.523 0 U -1.893e+03 0.00e+00 - 0 14 12 0
# HB2/H L4
129 4.074 8.529 0 U -1.279e+04 0.00e+00 - 0 11 12 0
# HA/H L4
130 4.286 8.523 0 U -2.227e+04 0.00e+00 - 0 94 12 0
# HA P3/H L4
131 8.187 8.523 0 U -2.216e+03 0.00e+00 - 0 34 12 0
# H W5/H L4
133 3.084 8.040 0 U -1.620e+03 0.00e+00 - 0 43 39 0
# HB2/H 7
134 3.301 8.040 0 U -1.715e+03 0.00e+00 - 0 42 39 0
# HB/H 7
136 4.588 8.040 0 U -1.478e+03 0.00e+00 - 0 38 39 0
# HA/H 7
137 2.945 8.402 0 U -2.047e+03 0.00e+00 - 0 63 30 0
# HD/H R2
138 1.620 8.402 0 U -5.675e+03 0.00e+00 - 0 32 30 0
# HG/H R2
139 1.910 8.402 0 U -1.714e+03 0.00e+00 - 0 31 30 0
# HB/H R2
141 3.213 8.402 0 U -1.021e+04 0.00e+00 - 0 80 30 0
# HB C1/H R2
142 4.885 8.402 0 U -4.662e+03 0.00e+00 - 0 29 30 0
# HA/H R2
143 4.458 8.402 0 U -5.024e+04 0.00e+00 - 0 79 30 0
# HA C1/H R2
144 6.971 8.402 0 U -1.390e+03 0.00e+00 - 0 64 30 0
# HH1/H R2
145 10.181 7.203 0 U -1.384e+03 0.00e+00 - 0 83 88 0
# HE1/HH2 W5
146 7.470 7.203 0 U -1.212e+04 0.00e+00 - 0 82 88 0
# HZ2/HH2 W5
147 7.306 7.203 0 U -2.108e+03 0.00e+00 - 0 81 88 0
# HD1/HH2 W5
149 3.064 7.203 0 U -8.045e+02 0.00e+00 - 0 36 88 0
# HB3/HH2 W5
150 7.730 7.203 0 U -4.246e+04 0.00e+00 - 0 95 88 0
# HE3/HH2 W5
151 3.296 7.203 0 U -5.194e+02 0.00e+00 - 0 35 88 0
# HB2/HH2 W5
152 8.187 7.203 0 U -6.315e+02 0.00e+00 - 0 34 88 0
# H/HH2 W5
154 8.402 3.213 0 U -2.072e+03 0.00e+00 - 0 30 80 0
# H R2/HB C1
156 4.458 3.213 0 U -6.759e+04 0.00e+00 - 0 79 80 0
# HA/HB C1
158 1.482 7.809 0 U -2.313e+03 0.00e+00 - 0 97 48 0
# HB/H 9
159 4.319 7.809 0 U -1.191e+03 0.00e+00 - 0 47 48 0
# HA/H 9
160 7.809 1.482 0 U -2.015e+02 0.00e+00 - 0 48 97 0
# H/HB 9
163 3.064 7.730 0 U -4.422e+03 0.00e+00 - 0 36 90 0
# HB3 W5/HE3
164 7.673 7.673 0 U -5.360e+04 0.00e+00 - 0 70 70 0
# H/H 15
165 4.171 7.673 0 U -1.363e+03 0.00e+00 - 0 69 70 0
# HA/H 15
166 2.948 2.948 0 U -1.072e+06 0.00e+00 - 0 59 59 0
# HB3/HB3 C8
167 3.225 2.948 0 U -5.176e+04 0.00e+00 - 0 58 59 0
# HB2/HB3 C8
168 8.558 2.948 0 U -1.387e+03 0.00e+00 - 0 10 59 0
# H G9/HB3 C8
169 7.497 2.948 0 U -4.577e+03 0.00e+00 - 0 57 59 0
# H/HB3 C8
170 4.647 2.948 0 U -3.602e+03 0.00e+00 - 0 56 59 0
# HA/HB3 C8
171 0.917 4.074 0 U -8.170e+03 0.00e+00 - 0 92 11 0
# HD1/HA L4
172 1.554 4.074 0 U -1.413e+04 0.00e+00 - 0 15 11 0
# HB3/HA L4
173 0.867 4.074 0 U -2.735e+04 0.00e+00 - 0 91 11 0
# HD2/HA L4
174 2.002 4.074 0 U -4.021e+03 0.00e+00 - 0 14 11 0
# HB2/HA L4
175 8.523 4.074 0 U -6.281e+03 0.00e+00 - 0 12 11 0
# H/HA L4
177 8.187 4.074 0 U -3.608e+03 0.00e+00 - 0 34 11 0
# H W5/HA L4
180 3.301 4.588 0 U -2.142e+03 0.00e+00 - 0 42 38 0
# HB/HA 7
181 8.040 4.588 0 U -4.419e+02 0.00e+00 - 0 39 38 0
# H/HA 7
183 3.633 4.885 0 U -2.925e+02 0.00e+00 - 0 75 29 0
# HD3 P3/HA R2
184 2.945 4.885 0 U -1.147e+03 0.00e+00 - 0 63 29 0
# HD/HA R2
185 1.620 4.885 0 U -1.498e+03 0.00e+00 - 0 32 29 0
# HG/HA R2
186 1.910 4.885 0 U -1.269e+03 0.00e+00 - 0 31 29 0
# HB/HA R2
187 3.825 4.885 0 U -4.274e+02 0.00e+00 - 0 73 29 0
# HD2 P3/HA R2
188 8.402 4.885 0 U -9.169e+02 0.00e+00 - 0 30 29 0
# H/HA R2
190 6.971 4.885 0 U -6.797e+02 0.00e+00 - 0 64 29 0
# HH1/HA R2
191 8.402 4.458 0 U -3.875e+03 0.00e+00 - 0 30 79 0
# H R2/HA C1
192 3.213 4.458 0 U -1.431e+03 0.00e+00 - 0 80 79 0
# HB/HA C1
194 8.178 4.458 0 U -2.236e+03 0.00e+00 - 0 68 79 0
# H T6/HA C1
195 8.151 1.490 0 U -6.033e+03 0.00e+00 - 0 100 99 0
# H/? 20
197 7.809 4.319 0 U -2.289e+03 0.00e+00 - 0 48 47 0
# H/HA 9
198 1.482 4.319 0 U -1.354e+04 0.00e+00 - 0 97 47 0
# HB/HA 9
202 8.178 1.168 0 U -7.414e+03 0.00e+00 - 0 68 96 0
# H/HG2 T6
203 4.236 1.168 0 U -1.166e+05 0.00e+00 - 0 67 96 0
# HA/HG2 T6
204 7.673 4.171 0 U -1.883e+03 0.00e+00 - 0 70 69 0
# H/HA 15
207 3.225 3.225 0 U -4.379e+05 0.00e+00 - 0 58 58 0
# HB2/HB2 C8
208 8.558 3.225 0 U -1.601e+02 0.00e+00 - 0 10 58 0
# H G9/HB2 C8
209 7.497 3.225 0 U -2.292e+03 0.00e+00 - 0 57 58 0
# H/HB2 C8
211 2.948 8.558 0 U -5.495e+03 0.00e+00 - 0 59 10 0
# HB3 C8/H G9
212 3.225 8.558 0 U -4.790e+03 0.00e+00 - 0 58 10 0
# HB2 C8/H G9
214 3.930 8.558 0 U -3.529e+04 0.00e+00 - 0 9 10 0
# HA/H G9
215 4.647 8.558 0 U -2.074e+04 0.00e+00 - 0 56 10 0
# HA C8/H G9
216 10.181 3.064 0 U -6.571e+01 0.00e+00 - 0 83 36 0
# HE1/HB3 W5
217 7.470 3.064 0 U -3.294e+03 0.00e+00 - 0 82 36 0
# HZ2/HB3 W5
218 7.306 3.064 0 U -3.033e+03 0.00e+00 - 0 81 36 0
# HD1/HB3 W5
219 7.203 3.064 0 U -2.354e+03 0.00e+00 - 0 88 36 0
# HH2/HB3 W5
221 7.730 3.064 0 U -2.276e+03 0.00e+00 - 0 95 36 0
# HE3/HB3 W5
222 3.296 3.064 0 U 6.319e+04 0.00e+00 - 0 35 36 0
# HB2/HB3 W5
223 8.187 3.064 0 U -1.073e+03 0.00e+00 - 0 34 36 0
# H/HB3 W5
224 4.967 3.064 0 U -2.164e+03 0.00e+00 - 0 33 36 0
# HA/HB3 W5
226 3.938 8.522 0 U -1.396e+04 0.00e+00 - 0 27 28 0
# HA/H 4
228 10.291 7.493 0 U -7.744e+02 0.00e+00 - 0 85 86 0
# HE1/HZ2 18
229 7.254 7.493 0 U -1.529e+05 0.00e+00 - 0 84 86 0
# HD1/HZ2 18
230 3.633 1.953 0 U -2.230e+03 0.00e+00 - 0 75 78 0
# HD3/HG P3
231 3.825 1.953 0 U -2.845e+03 0.00e+00 - 0 73 78 0
# HD2/HG P3
233 2.140 1.953 0 U -2.419e+04 0.00e+00 - 0 77 78 0
# HB3/HG P3
234 4.286 1.953 0 U -6.318e+03 0.00e+00 - 0 94 78 0
# HA/HG P3
235 2.344 1.953 0 U -2.213e+04 0.00e+00 - 0 76 78 0
# HB2/HG P3
236 8.558 3.930 0 U -5.188e+04 0.00e+00 - 0 10 9 0
# H/HA G9
239 7.497 1.303 0 U -2.184e+03 0.00e+00 - 0 57 46 0
# H C8/HB A7
240 7.886 1.303 0 U -2.973e+03 0.00e+00 - 0 45 46 0
# H/HB A7
241 4.283 1.303 0 U -8.048e+03 0.00e+00 - 0 44 46 0
# HA/HB A7
242 10.181 7.730 0 U -1.095e+03 0.00e+00 - 0 83 95 0
# HE1/HE3 W5
243 1.554 7.730 0 U -8.254e+03 0.00e+00 - 0 15 95 0
# HB3 L4/HE3 W5
244 7.470 7.730 0 U -8.201e+03 0.00e+00 - 0 82 95 0
# HZ2/HE3 W5
245 7.306 7.730 0 U -4.532e+03 0.00e+00 - 0 81 95 0
# HD1/HE3 W5
246 7.203 7.730 0 U -5.901e+03 0.00e+00 - 0 88 95 0
# HH2/HE3 W5
247 3.064 7.730 0 U -4.422e+03 0.00e+00 - 0 36 95 0
# HB3/HE3 W5
249 3.296 7.730 0 U -1.203e+04 0.00e+00 - 0 35 95 0
# HB2/HE3 W5
250 8.187 7.730 0 U -4.261e+03 0.00e+00 - 0 34 95 0
# H/HE3 W5
251 4.967 7.730 0 U -8.989e+03 0.00e+00 - 0 33 95 0
# HA/HE3 W5
252 1.554 8.178 0 U -7.081e+03 0.00e+00 - 0 15 68 0
# HB3 L4/H T6
253 4.458 8.178 0 U -2.928e+03 0.00e+00 - 0 79 68 0
# HA C1/H T6
254 1.168 8.178 0 U -1.092e+04 0.00e+00 - 0 96 68 0
# HG2/H T6
256 7.886 8.178 0 U -9.894e+03 0.00e+00 - 0 45 68 0
# H A7/H T6
257 4.236 8.178 0 U -2.900e+03 0.00e+00 - 0 67 68 0
# HA/H T6
258 1.764 8.178 0 U -3.390e+03 0.00e+00 - 0 93 68 0
# HG L4/H T6
259 4.967 8.178 0 U -4.466e+03 0.00e+00 - 0 33 68 0
# HA W5/H T6
260 2.948 7.497 0 U -8.320e+03 0.00e+00 - 0 59 57 0
# HB3/H C8
261 3.225 7.497 0 U -5.091e+03 0.00e+00 - 0 58 57 0
# HB2/H C8
262 1.303 7.497 0 U -1.120e+04 0.00e+00 - 0 46 57 0
# HB A7/H C8
263 7.497 7.497 0 U -2.668e+06 0.00e+00 - 0 57 57 0
# H/H C8
264 4.647 7.497 0 U -7.089e+03 0.00e+00 - 0 56 57 0
# HA/H C8
265 4.283 7.497 0 U -7.349e+03 0.00e+00 - 0 44 57 0
# HA A7/H C8
267 8.718 1.723 0 U -1.957e+02 0.00e+00 - 0 7 8 0
# H/HB 1
268 4.128 1.723 0 U -4.626e+03 0.00e+00 - 0 6 8 0
# HA/HB 1
270 10.181 3.296 0 U -2.738e+02 0.00e+00 - 0 83 35 0
# HE1/HB2 W5
271 7.470 3.296 0 U -3.676e+03 0.00e+00 - 0 82 35 0
# HZ2/HB2 W5
272 7.306 3.296 0 U -6.197e+03 0.00e+00 - 0 81 35 0
# HD1/HB2 W5
273 7.203 3.296 0 U -2.807e+03 0.00e+00 - 0 88 35 0
# HH2/HB2 W5
274 3.064 3.296 0 U -2.335e+04 0.00e+00 - 0 36 35 0
# HB3/HB2 W5
275 7.730 3.296 0 U -4.803e+03 0.00e+00 - 0 95 35 0
# HE3/HB2 W5
276 3.296 3.296 0 U -2.277e+05 0.00e+00 - 0 35 35 0
# HB2/HB2 W5
277 8.187 3.296 0 U -2.612e+03 0.00e+00 - 0 34 35 0
# H/HB2 W5
278 4.967 3.296 0 U -3.293e+03 0.00e+00 - 0 33 35 0
# HA/HB2 W5
279 8.522 3.938 0 U -3.388e+04 0.00e+00 - 0 28 27 0
# H/HA 4
281 7.493 10.291 0 U -7.326e+03 0.00e+00 - 0 86 85 0
# HZ2/HE1 18
283 7.254 10.291 0 U -1.550e+04 0.00e+00 - 0 84 85 0
# HD1/HE1 18
284 3.633 2.140 0 U -9.277e+03 0.00e+00 - 0 75 77 0
# HD3/HB3 P3
285 3.825 2.140 0 U -7.126e+03 0.00e+00 - 0 73 77 0
# HD2/HB3 P3
288 4.286 2.140 0 U -7.654e+03 0.00e+00 - 0 94 77 0
# HA/HB3 P3
289 2.344 2.140 0 U -1.027e+04 0.00e+00 - 0 76 77 0
# HB2/HB3 P3
290 1.723 8.718 0 U -9.727e+02 0.00e+00 - 0 8 7 0
# HB/H 1
292 4.128 8.718 0 U -2.156e+03 0.00e+00 - 0 6 7 0
# HA/H 1
293 1.559 8.718 0 U -2.253e+03 0.00e+00 - 0 87 7 0
# ?/H 1
294 1.303 7.886 0 U -2.378e+04 0.00e+00 - 0 46 45 0
# HB/H A7
295 8.178 7.886 0 U -1.344e+04 0.00e+00 - 0 68 45 0
# H T6/H A7
297 4.283 7.886 0 U -1.359e+04 0.00e+00 - 0 44 45 0
# HA/H A7
298 3.633 4.286 0 U -4.235e+02 0.00e+00 - 0 75 94 0
# HD3/HA P3
300 8.523 4.286 0 U -1.124e+04 0.00e+00 - 0 12 94 0
# H L4/HA P3
301 1.953 4.286 0 U -4.744e+03 0.00e+00 - 0 78 94 0
# HG/HA P3
302 2.140 4.286 0 U -2.435e+03 0.00e+00 - 0 77 94 0
# HB3/HA P3
304 2.344 4.286 0 U -4.170e+04 0.00e+00 - 0 76 94 0
# HB2/HA P3
305 1.168 4.236 0 U -4.156e+04 0.00e+00 - 0 96 67 0
# HG2/HA T6
306 8.178 4.236 0 U -1.112e+04 0.00e+00 - 0 68 67 0
# H/HA T6
308 2.948 4.647 0 U -3.018e+03 0.00e+00 - 0 59 56 0
# HB3/HA C8
309 3.225 4.647 0 U -1.122e+03 0.00e+00 - 0 58 56 0
# HB2/HA C8
310 8.558 4.647 0 U -6.383e+02 0.00e+00 - 0 10 56 0
# H G9/HA C8
311 7.497 4.647 0 U -1.786e+03 0.00e+00 - 0 57 56 0
# H/HA C8
313 1.723 4.128 0 U -4.281e+03 0.00e+00 - 0 8 6 0
# HB/HA 1
314 8.718 4.128 0 U -5.494e+02 0.00e+00 - 0 7 6 0
# H/HA 1
316 1.559 4.128 0 U -4.452e+03 0.00e+00 - 0 87 6 0
# ?/HA 1
317 1.723 1.559 0 U -1.531e+03 0.00e+00 - 0 8 87 0
# HB/? 1
319 4.128 1.559 0 U -7.840e+03 0.00e+00 - 0 6 87 0
# HA/? 1
321 10.181 8.187 0 U -9.292e+02 0.00e+00 - 0 83 34 0
# HE1/H W5
322 7.470 8.187 0 U -2.888e+03 0.00e+00 - 0 82 34 0
# HZ2/H W5
323 2.002 8.187 0 U -4.140e+03 0.00e+00 - 0 14 34 0
# HB2 L4/H W5
324 7.306 8.187 0 U -8.977e+03 0.00e+00 - 0 81 34 0
# HD1/H W5
325 8.523 8.187 0 U -3.127e+03 0.00e+00 - 0 12 34 0
# H L4/H W5
326 7.203 8.187 0 U -3.627e+03 0.00e+00 - 0 88 34 0
# HH2/H W5
327 4.074 8.187 0 U -8.211e+03 0.00e+00 - 0 11 34 0
# HA L4/H W5
328 3.064 8.187 0 U -8.097e+03 0.00e+00 - 0 36 34 0
# HB3/H W5
329 7.730 8.187 0 U -2.343e+03 0.00e+00 - 0 95 34 0
# HE3/H W5
330 3.296 8.187 0 U -6.764e+03 0.00e+00 - 0 35 34 0
# HB2/H W5
332 4.967 8.187 0 U -3.329e+04 0.00e+00 - 0 33 34 0
# HA/H W5
334 10.291 7.254 0 U -7.882e+02 0.00e+00 - 0 85 84 0
# HE1/HD1 18
336 3.633 2.344 0 U -4.347e+02 0.00e+00 - 0 75 76 0
# HD3/HB2 P3
337 3.825 2.344 0 U -1.682e+03 0.00e+00 - 0 73 76 0
# HD2/HB2 P3
338 1.953 2.344 0 U -1.377e+04 0.00e+00 - 0 78 76 0
# HG/HB2 P3
340 4.286 2.344 0 U -3.415e+04 0.00e+00 - 0 94 76 0
# HA/HB2 P3
342 1.303 4.283 0 U -2.025e+04 0.00e+00 - 0 46 44 0
# HB/HA A7
343 7.497 4.283 0 U -8.101e+03 0.00e+00 - 0 57 44 0
# H C8/HA A7
344 7.886 4.283 0 U -8.291e+03 0.00e+00 - 0 45 44 0
# H/HA A7
345 4.283 4.283 0 U -8.776e+05 0.00e+00 - 0 44 44 0
# HA/HA A7
346 0.917 1.764 0 U -1.073e+04 0.00e+00 - 0 92 93 0
# HD1/HG L4
347 1.554 1.764 0 U -2.105e+04 0.00e+00 - 0 15 93 0
# HB3/HG L4
348 0.867 1.764 0 U -1.154e+04 0.00e+00 - 0 91 93 0
# HD2/HG L4
350 8.523 1.764 0 U -4.458e+02 0.00e+00 - 0 12 93 0
# H/HG L4
351 4.074 1.764 0 U -1.413e+03 0.00e+00 - 0 11 93 0
# HA/HG L4
352 8.178 1.764 0 U -2.309e+03 0.00e+00 - 0 68 93 0
# H T6/HG L4
354 2.945 6.971 0 U -1.448e+04 0.00e+00 - 0 63 64 0
# HD/HH1 R2
355 1.620 6.971 0 U -2.537e+03 0.00e+00 - 0 32 64 0
# HG/HH1 R2
356 1.910 6.971 0 U -2.046e+03 0.00e+00 - 0 31 64 0
# HB/HH1 R2
357 8.402 6.971 0 U -1.181e+02 0.00e+00 - 0 30 64 0
# H/HH1 R2
358 4.885 6.971 0 U -3.651e+02 0.00e+00 - 0 29 64 0
# HA/HH1 R2
361 7.470 4.967 0 U -2.378e+03 0.00e+00 - 0 82 33 0
# HZ2/HA W5
362 7.306 4.967 0 U -2.488e+03 0.00e+00 - 0 81 33 0
# HD1/HA W5
363 7.203 4.967 0 U -6.357e+02 0.00e+00 - 0 88 33 0
# HH2/HA W5
364 3.064 4.967 0 U -2.228e+03 0.00e+00 - 0 36 33 0
# HB3/HA W5
365 7.730 4.967 0 U -3.224e+03 0.00e+00 - 0 95 33 0
# HE3/HA W5
366 8.178 4.967 0 U -3.056e+03 0.00e+00 - 0 68 33 0
# H T6/HA W5
368 8.187 4.967 0 U -1.207e+03 0.00e+00 - 0 34 33 0
# H/HA W5
;
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 . folded 6000 Hz . . . 4.76 . . 34198 1
stop_
save_