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 30744
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name .
_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.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 1
_Spectral_peak_list.Experiment_name '2D 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 .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
label dataset sw sf
1Hx 1Hy
noesy_hsp1_sds_poly.nv
{6009.62 } {6009.62 }
{500.1320 } {500.1320 }
1Hx.L 1Hx.P 1Hx.W 1Hx.B 1Hx.E 1Hx.J 1Hx.U 1Hy.L 1Hy.P 1Hy.W 1Hy.B 1Hy.E 1Hy.J 1Hy.U vol int stat comment flag0
0 {4.HN} 7.802 0.041 0.041 ? 0.000 {?} {4.HB1} 2.867 0.337 0.133 ? 0.000 {?} 8.94908 8.94908 0 {?} 0
1 {4.HN} 7.799 0.040 0.040 ++ 0.000 {?} {4.HA} 4.307 0.060 0.060 ++ 0.000 {?} 16.64226 16.64226 0 {?} 0
2 {14.HN} 7.940 0.055 0.055 ? 0.000 {?} {14.HA2} 3.888 0.117 0.095 ++ 0.000 {?} 14.56904 14.56904 0 {?} 0
3 {12.HN} 7.817 nan 0.051 ? 0.000 {?} {12.HA} 4.165 0.419 0.084 ? 0.000 {?} 8.60641 8.60641 0 {?} 0
4 {13.HN} 8.088 0.017 0.037 ++ 0.000 {?} {13.HA} 4.199 0.028 0.055 ++ 0.000 {?} 77.17121 77.17121 0 {?} 0
5 {13.HN} 8.092 0.020 0.036 ? 0.000 {?} {12.HN} 7.808 0.050 0.083 ++ 0.000 {?} 68.21216 68.21216 0 {?} 0
6 {14.HN} 7.940 0.038 0.048 ++ 0.000 {?} {13.HA} 4.189 0.064 0.085 ++ 0.000 {?} 45.90742 45.90742 0 {?} 0
7 {13.HN} 8.092 0.041 0.040 ++ 0.000 {?} {12.HA} 4.140 0.030 0.027 ++ 0.000 {?} 25.07659 25.07659 0 {?} 0
8 {12.HN} 7.823 0.032 0.048 ++ 0.000 {?} {13.HN} 8.085 0.051 0.085 ++ 0.000 {?} 64.88980 64.88980 0 {?} 0
9 {5.HN} 7.885 0.032 0.038 ++ 0.000 {?} {5.HA} 4.192 0.050 0.065 ++ 0.000 {?} 42.39100 42.39100 0 {?} 0
10 {5.HN} 7.886 0.023 0.023 ? 0.000 {?} {4.HA} 4.310 0.069 0.047 ++ 0.000 {?} 18.03503 18.03503 0 {?} 0
11 {8.HN} 7.776 0.016 0.030 ++ 0.000 {?} {8.HA} 4.099 0.039 0.068 ++ 0.000 {?} 28.55079 28.55079 0 {?} 0
12 {5.HN} 7.886 0.017 0.018 ? 0.000 {?} {3.HA} 4.072 0.046 0.037 ++ 0.000 {?} 9.72587 9.72587 0 {?} 0
13 {3.HN} 8.051 0.030 0.045 ++ 0.000 {?} {3.HA} 4.072 0.048 0.085 ++ 0.000 {?} 31.84400 31.84400 0 {?} 0
14 {3.HN} 8.054 0.031 0.043 ? 0.000 {?} {4.HN} 7.796 0.041 0.062 ++ 0.000 {?} 18.85753 18.85753 0 {?} 0
15 {4.HN} 7.797 0.020 0.028 ++ 0.000 {?} {3.HN} 8.051 0.042 0.066 ++ 0.000 {?} 32.09948 32.09948 0 {?} 0
16 {6.HN} 8.213 0.016 0.027 ? 0.000 {?} {6.HA} 3.643 0.041 0.058 ++ 0.000 {?} 26.01795 26.01795 0 {?} 0
17 {6.HN} 8.214 0.017 0.017 ? 0.000 {?} {3.HA} 4.072 0.033 0.032 ++ 0.000 {?} 11.65888 11.65888 0 {?} 0
18 {7.HN} 8.230 0.016 0.034 ++ 0.000 {?} {7.HA} 3.843 0.033 0.066 ++ 0.000 {?} 55.81388 55.81388 0 {?} 0
19 {7.HN} 8.234 0.007 0.011 ++ 0.000 {?} {6.HA} 3.641 0.039 0.046 ++ 0.000 {?} 18.30249 18.30249 0 {?} 0
20 {2.HN} 8.787 0.030 0.068 ? 0.000 {?} {2.HA} 3.904 0.031 0.087 ? 0.000 {?} 44.25867 44.25867 0 {?} 0
21 {3.HN} 8.046 0.017 0.039 ? 0.000 {?} {2.HA} 3.901 0.049 0.056 ++ 0.000 {?} 15.30268 15.30268 0 {?} 0
22 {2.HN} 8.787 0.023 0.026 ++ 0.000 {?} {3.HN} 8.044 0.036 0.044 ++ 0.000 {?} 17.76829 17.76829 0 {?} 0
23 {3.HN} 8.049 0.018 0.018 ? 0.000 {?} {2.HN} 8.790 0.104 0.041 ? 0.000 {?} 7.37362 7.37362 0 {?} 0
24 {8.HN} 7.775 0.023 0.023 ? 0.000 {?} {7.HA} 3.844 0.039 0.036 ++ 0.000 {?} 9.99669 9.99669 0 {?} 0
25 {7.HN} 8.230 0.018 0.013 ? 0.000 {?} {8.HN} 7.773 0.063 0.041 ++ 0.000 {?} 7.34649 7.34649 0 {?} 0
26 {8.HN} 7.774 0.016 0.012 ++ 0.000 {?} {7.HN} 8.227 0.031 0.024 ++ 0.000 {?} 9.27888 9.27888 0 {?} 0
27 {14.HN} 7.948 0.022 0.022 ? 0.000 {?} {13.HN} 8.089 0.042 0.044 ++ 0.000 {?} 14.27192 14.27192 0 {?} 0
28 {13.HN} 8.092 0.018 0.034 ? 0.000 {?} {14.HN} 7.934 0.032 0.044 ++ 0.000 {?} 22.53889 22.53889 0 {?} 0
29 {4.HN} 7.797 0.020 0.020 ? 0.000 {?} {5.HN} 7.881 0.007 0.019 ++ 0.000 {?} 60.96284 60.96284 0 {?} 0
30 {10.HN} 8.414 0.009 0.019 ? 0.000 {?} {9.HN} 8.107 0.060 0.075 ++ 0.000 {?} 12.86166 12.86166 0 {?} 0
31 {9.HN} 8.113 0.018 0.018 ? 0.000 {?} {10.HN} 8.402 0.058 0.067 ++ 0.000 {?} 11.42986 11.42986 0 {?} 0
32 {5.HN} 7.887 0.004 0.019 ? 0.000 {?} {4.HN} 7.789 0.041 0.068 ++ 0.000 {?} 23.25611 23.25611 0 {?} 0
33 {10.HN} 8.409 0.022 0.050 ? 0.000 {?} {10.HA} 3.958 0.041 0.085 ++ 0.000 {?} 54.22083 54.22083 0 {?} 0
34 {9.HN} 8.110 0.032 0.032 ? 0.000 {?} {9.HA} 3.727 0.039 0.063 ++ 0.000 {?} 18.75227 18.75227 0 {?} 0
35 {6.HN} 8.211 0.029 0.033 ++ 0.000 {?} {5.HN} 7.882 0.040 0.045 ++ 0.000 {?} 12.86166 12.86166 0 {?} 0
36 {5.HN} 7.887 0.024 0.024 ? 0.000 {?} {6.HN} 8.212 0.061 0.054 ++ 0.000 {?} 10.72236 10.72236 0 {?} 0
37 {2.HN} 8.792 0.032 0.062 ++ 0.000 {?} {2.HB} 1.873 0.047 0.092 ++ 0.000 {?} 43.05474 43.05474 0 {?} 0
38 {10.HN} 8.410 0.026 0.061 ++ 0.000 {?} {10.HB1} 1.452 0.038 0.087 ++ 0.000 {?} 85.24989 85.24989 0 {?} 0
39 {7.HN} 8.217 0.031 0.041 ? 0.000 {?} {7.HB1} 1.526 0.043 0.062 ++ 0.000 {?} 18.72028 18.72028 0 {?} 0
40 {6.HN} 8.215 0.018 0.034 ++ 0.000 {?} {6.HB} 2.001 0.039 0.067 ++ 0.000 {?} 19.09359 19.09359 0 {?} 0
41 {3.HN} 8.049 0.048 0.048 ? 0.000 {?} {3.HB1} 1.878 0.047 0.047 ++ 0.000 {?} 8.62462 8.62462 0 {?} 0
42 {5.HN} 7.888 0.024 0.065 ? 0.000 {?} {5.HB1} 1.528 0.050 0.103 ++ 0.000 {?} 64.38083 64.38083 0 {?} 0
43 {12.HN} 7.820 0.018 0.058 ? 0.000 {?} {12.HB1} 1.495 0.048 0.132 ++ 0.000 {?} 112.66859 112.66859 0 {?} 0
44 {8.HN} 7.777 0.035 0.052 ? 0.000 {?} {8.HB1} 1.531 0.035 0.085 ++ 0.000 {?} 78.85336 78.85336 0 {?} 0
45 {11.HN} 8.101 0.013 0.045 ? 0.000 {?} {11.HA} 4.004 0.055 0.084 ++ 0.000 {?} 73.79111 73.79111 0 {?} 0
46 {10.HN} 8.409 0.025 0.032 ++ 0.000 {?} {7.HA} 3.843 0.056 0.062 ++ 0.000 {?} 18.30249 18.30249 0 {?} 0
47 {10.HN} 8.410 0.028 0.030 ++ 0.000 {?} {9.HA} 3.727 0.061 0.065 ++ 0.000 {?} 16.52552 16.52552 0 {?} 0
48 {10.HN} 8.408 0.026 0.026 ? 0.000 {?} {6.HA} 3.642 0.125 0.055 ? 0.000 {?} 8.62050 8.62050 0 {?} 0
49 {12.HN} 7.819 0.024 0.031 ++ 0.000 {?} {11.HA} 4.011 0.065 0.089 ++ 0.000 {?} 24.61620 24.61620 0 {?} 0
50 {12.HN} 7.819 0.026 0.032 ++ 0.000 {?} {9.HA} 3.728 0.050 0.060 ++ 0.000 {?} 19.79716 19.79716 0 {?} 0
51 {5.HB1} 1.547 0.022 0.034 ? 0.000 {?} {2.HA} 3.901 0.041 0.071 ++ 0.000 {?} 37.76704 37.76704 0 {?} 0
52 {2.HA} 3.909 0.039 0.039 ? 0.000 {?} {5.HB1} 1.538 0.042 0.065 ++ 0.000 {?} 59.51037 59.51037 0 {?} 0
53 {13.HN} 8.096 0.036 0.078 ? 0.000 {?} {13.HB1} 1.458 0.047 0.104 ++ 0.000 {?} 173.54181 173.54181 0 {?} 0
54 {3.HN} 8.018 0.032 0.033 ++ 0.000 {?} {3.HB2} 1.454 0.086 0.091 ++ 0.000 {?} 15.23359 15.23359 0 {?} 0
55 {7.HZ1} 7.451 0.088 0.088 ? 0.000 {?} {7.HE1} 2.953 0.055 0.090 ++ 0.000 {?} 44.85083 44.85083 0 {?} 0
56 {7.HZ1} 7.464 0.043 0.072 ? 0.000 {?} {7.HD1} 1.687 0.082 0.074 ++ 0.000 {?} 10.47056 10.47056 0 {?} 0
57 {11.HN} 8.105 0.013 0.048 ? 0.000 {?} {11.HB2} 1.878 0.053 0.112 ++ 0.000 {?} 28.90059 28.90059 0 {?} 0
58 {2.HN} 8.786 0.050 0.064 ++ 0.000 {?} {2.HG12} 1.637 0.068 0.085 ++ 0.000 {?} 26.21249 26.21249 0 {?} 0
59 {2.HN} 8.782 0.021 0.018 ? 0.000 {?} {2.HG11} 1.249 0.010 0.008 ? 0.000 {?} 12.77019 12.77019 0 {?} 0
60 {2.HN} 8.789 0.031 0.041 ++ 0.000 {?} {2.HD11} 0.971 0.044 0.069 ++ 0.000 {?} 27.39500 27.39500 0 {?} 0
61 {?3.HN} 8.052 0.024 0.036 ++ 0.000 {?} {?2.HD11} 0.974 0.044 0.070 ++ 0.000 {?} 23.71833 23.71833 1 {?} 0
62 {10.HN} 8.409 0.027 0.040 ++ 0.000 {?} {9.HB} 1.951 0.048 0.111 ? 0.000 {?} 16.35051 16.35051 0 {?} 0
63 {?6.HN} 8.223 0.034 0.055 ++ 0.000 {?} {?3.HB1} 1.879 0.066 0.113 ++ 0.000 {?} 33.74239 33.74239 0 {?} 0
64 {7.HN} 8.229 0.023 0.030 ++ 0.000 {?} {7.HD1} 1.698 0.072 0.088 ++ 0.000 {?} 21.39661 21.39661 0 {?} 0
65 {?3.HN} 8.054 0.025 0.043 ++ 0.000 {?} {?2.HG12} 1.650 0.072 0.097 ++ 0.000 {?} 14.79834 14.79834 0 {?} 0
66 {12.HN} 7.818 0.028 0.052 ? 0.000 {?} {11.HB2} 1.877 0.048 0.085 ++ 0.000 {?} 26.55058 26.55058 0 {?} 0
67 {8.HN} 7.797 0.030 0.042 ++ 0.000 {?} {7.HD1} 1.686 0.098 0.125 ++ 0.000 {?} 25.48353 25.48353 0 {?} 0
68 {2.HA} 3.909 0.024 0.041 ? 0.000 {?} {2.HN} 8.785 0.051 0.093 ++ 0.000 {?} 39.49155 39.49155 0 {?} 0
69 {10.HA} 3.963 0.021 0.057 ? 0.000 {?} {10.HN} 8.402 0.049 0.104 ? 0.000 {?} 36.11618 36.11618 0 {?} 0
70 {7.HA} 3.847 0.050 0.050 ? 0.000 {?} {7.HN} 8.227 0.065 0.076 ++ 0.000 {?} 14.08256 14.08256 0 {?} 0
71 {6.HA} 3.649 0.043 0.049 ? 0.000 {?} {6.HN} 8.208 0.067 0.078 ++ 0.000 {?} 20.13649 20.13649 0 {?} 0
72 {9.HA} 3.733 0.039 0.051 ? 0.000 {?} {9.HN} 8.109 0.069 0.106 ++ 0.000 {?} 30.29468 30.29468 0 {?} 0
73 {14.HA1} 3.870 0.024 0.057 ? 0.000 {?} {14.HN} 7.934 0.042 0.087 ++ 0.000 {?} 67.02821 67.02821 0 {?} 0
74 {11.HA} 4.016 0.024 0.061 ? 0.000 {?} {11.HN} 8.093 0.050 0.102 ++ 0.000 {?} 39.47403 39.47403 0 {?} 0
75 {3.HA} 4.101 0.046 0.051 ? 0.000 {?} {3.HN} 8.105 0.050 0.065 ++ 0.000 {?} 9.51215 9.51215 0 {?} 0
76 {13.HA} 4.192 0.052 0.073 ? 0.000 {?} {13.HN} 8.090 0.049 0.078 ++ 0.000 {?} 29.33895 29.33895 0 {?} 0
77 {8.HA} 4.107 0.054 0.054 ? 0.000 {?} {8.HN} 7.778 0.055 0.086 ++ 0.000 {?} 25.14622 25.14622 0 {?} 0
78 {12.HA} 4.170 0.034 0.048 ? 0.000 {?} {12.HN} 7.816 0.045 0.072 ++ 0.000 {?} 18.80498 18.80498 0 {?} 0
79 {5.HA} 4.205 0.030 0.042 ? 0.000 {?} {5.HN} 7.913 0.073 0.078 ++ 0.000 {?} 17.90922 17.90922 0 {?} 0
80 {4.HA} 4.311 0.051 0.051 ? 0.000 {?} {4.HN} 7.793 0.056 0.051 ++ 0.000 {?} 6.01431 6.01431 0 {?} 0
81 {9.HA} 3.731 0.052 0.052 ? 0.000 {?} {10.HN} 8.405 0.057 0.060 ++ 0.000 {?} 13.58204 13.58204 0 {?} 0
82 {7.HA} 3.846 0.043 0.054 ? 0.000 {?} {10.HN} 8.405 0.053 0.064 ++ 0.000 {?} 17.69903 17.69903 0 {?} 0
83 {6.HA} 3.646 0.046 0.046 ? 0.000 {?} {9.HN} 8.114 0.069 0.064 ++ 0.000 {?} 10.95378 10.95378 0 {?} 0
84 {6.HA} 3.645 0.037 0.037 ? 0.000 {?} {10.HN} 8.407 0.095 0.056 ++ 0.000 {?} 8.06564 8.06564 0 {?} 0
85 {9.HA} 3.734 0.024 0.051 ? 0.000 {?} {12.HN} 7.812 0.053 0.073 ++ 0.000 {?} 14.44617 14.44617 0 {?} 0
86 {7.HA} 3.853 0.039 0.039 ? 0.000 {?} {9.HN} 8.112 0.073 0.073 ++ 0.000 {?} 9.26906 9.26906 0 {?} 0
87 {11.HA} 4.028 0.039 0.039 ? 0.000 {?} {14.HN} 7.936 0.082 0.074 ++ 0.000 {?} 9.67254 9.67254 0 {?} 0
88 {11.HA} 4.019 0.048 0.048 ? 0.000 {?} {12.HN} 7.818 0.046 0.072 ++ 0.000 {?} 18.26073 18.26073 0 {?} 0
89 {7.HA} 3.838 0.030 0.033 ? 0.000 {?} {8.HN} 7.774 0.060 0.064 ++ 0.000 {?} 14.71186 14.71186 0 {?} 0
90 {4.HB1} 2.856 0.083 0.114 ? 0.000 {?} {4.HA} 4.309 0.049 0.081 ++ 0.000 {?} 53.53090 53.53090 0 {?} 0
91 {13.HB1} 1.429 0.016 0.028 ? 0.000 {?} {13.HA} 4.191 0.049 0.095 ++ 0.000 {?} 105.00390 105.00390 0 {?} 0
92 {5.HB1} 1.463 0.010 0.032 ? 0.000 {?} {5.HA} 4.193 0.047 0.078 ++ 0.000 {?} 105.91106 105.91106 0 {?} 0
93 {12.HB1} 1.503 0.006 0.029 ? 0.000 {?} {12.HA} 4.171 0.042 0.088 ++ 0.000 {?} 285.44141 285.44141 0 {?} 0
94 {8.HB1} 1.531 0.035 0.056 ? 0.000 {?} {8.HA} 4.083 0.054 0.091 ++ 0.000 {?} 66.46099 66.46099 0 {?} 0
95 {10.HB1} 1.448 0.013 0.026 ? 0.000 {?} {10.HA} 3.958 0.035 0.079 ++ 0.000 {?} 144.49043 144.49043 0 {?} 0
96 {11.HG2} 1.469 0.010 0.019 ? 0.000 {?} {11.HA} 3.962 0.047 0.079 ++ 0.000 {?} 194.75464 194.75464 0 {?} 0
97 {7.HG2} 1.362 0.038 0.058 ? 0.000 {?} {7.HA} 3.836 0.076 0.058 ++ 0.000 {?} 14.99018 14.99018 0 {?} 0
98 {7.HD1} 1.701 0.028 0.048 ? 0.000 {?} {7.HA} 3.837 0.042 0.054 ++ 0.000 {?} 26.16599 26.16599 0 {?} 0
99 {7.HB2} 1.892 0.063 0.063 ? 0.000 {?} {7.HA} 3.840 0.047 0.061 ++ 0.000 {?} 38.94941 38.94941 0 {?} 0
100 {9.HB} 1.956 0.039 0.060 ? 0.000 {?} {9.HA} 3.728 0.065 0.065 ++ 0.000 {?} 20.68597 20.68597 0 {?} 0
101 {6.HB} 1.980 0.033 0.070 ? 0.000 {?} {6.HA} 3.640 0.069 0.055 ++ 0.000 {?} 17.92040 17.92040 0 {?} 0
102 {2.HB} 1.882 0.041 0.059 ? 0.000 {?} {2.HA} 3.898 0.007 0.046 ? 0.000 {?} 21.42289 21.42289 0 {?} 0
103 {11.HB2} 1.889 0.078 0.078 ? 0.000 {?} {11.HA} 4.012 0.033 0.058 ++ 0.000 {?} 90.64062 90.64062 0 {?} 0
104 {3.HB2} 1.725 0.022 0.049 ? 0.000 {?} {3.HA} 4.067 0.048 0.068 ++ 0.000 {?} 38.64624 38.64624 0 {?} 0
105 {11.HB2} 1.684 0.022 0.027 ? 0.000 {?} {11.HA} 4.052 0.053 0.127 ? 0.000 {?} 29.41817 29.41817 0 {?} 0
106 {3.HG} 1.648 0.040 0.040 ? 0.000 {?} {3.HA} 4.068 0.059 0.055 ++ 0.000 {?} 22.78069 22.78069 0 {?} 0
107 {11.HG1} 1.569 0.013 0.020 ? 0.000 {?} {11.HA} 4.022 0.027 0.048 ++ 0.000 {?} 89.21680 89.21680 0 {?} 0
108 {11.HB2} 1.884 0.041 0.068 ? 0.000 {?} {8.HA} 4.093 0.050 0.055 ++ 0.000 {?} 26.25113 26.25113 0 {?} 0
109 {3.HD11} 0.975 0.039 0.049 ? 0.000 {?} {3.HA} 4.077 0.045 0.086 ++ 0.000 {?} 88.83311 88.83311 0 {?} 0
110 {3.HD21} 0.898 0.056 0.056 ? 0.000 {?} {3.HA} 4.073 0.036 0.073 ++ 0.000 {?} 109.45570 109.45570 0 {?} 0
111 {2.HG12} 0.965 0.028 0.054 ? 0.000 {?} {2.HA} 3.899 0.032 0.056 ++ 0.000 {?} 89.04044 89.04044 0 {?} 0
112 {9.HG12} 0.918 0.032 0.044 ? 0.000 {?} {9.HA} 3.728 0.050 0.099 ++ 0.000 {?} 96.41864 96.41864 0 {?} 0
113 {6.HG12} 0.893 0.042 0.042 ? 0.000 {?} {6.HA} 3.637 0.041 0.083 ++ 0.000 {?} 63.30100 63.30100 0 {?} 0
114 {9.HG11} 0.846 0.024 0.048 ? 0.000 {?} {9.HA} 3.735 0.043 0.077 ++ 0.000 {?} 45.52094 45.52094 0 {?} 0
115 {6.HG11} 0.835 0.032 0.065 ++ 0.000 {?} {6.HA} 3.639 0.038 0.073 ++ 0.000 {?} 49.47029 49.47029 0 {?} 0
116 {9.HN} 8.118 0.017 0.030 ? 0.000 {?} {9.HB} 1.947 0.084 0.064 ++ 0.000 {?} 11.86388 11.86388 0 {?} 0
117 {7.HE1} 2.959 0.051 0.067 ++ 0.000 {?} {7.HZ1} 7.453 0.080 0.108 ++ 0.000 {?} 36.91818 36.91818 0 {?} 0
118 {4.HB1} 2.888 0.068 0.113 ? 0.000 {?} {4.HN} 7.797 0.077 0.074 ++ 0.000 {?} 19.85611 19.85611 0 {?} 0
119 {7.HD1} 1.701 0.042 0.052 ? 0.000 {?} {7.HZ1} 7.483 0.074 0.107 ? 0.000 {?} 5.52821 5.52821 0 {?} 0
120 {5.HB1} 1.547 0.011 0.042 ? 0.000 {?} {5.HN} 7.879 0.038 0.087 ++ 0.000 {?} 33.84528 33.84528 0 {?} 0
121 {12.HB1} 1.491 0.013 0.062 ? 0.000 {?} {12.HN} 7.808 0.039 0.079 ++ 0.000 {?} 36.52570 36.52570 0 {?} 0
122 {10.HB1} 1.455 0.013 0.038 ? 0.000 {?} {10.HN} 8.403 0.036 0.077 ++ 0.000 {?} 6.99652 6.99652 0 {?} 0
123 {2.HB} 1.875 0.072 0.072 ? 0.000 {?} {2.HN} 8.785 0.040 0.067 ++ 0.000 {?} 21.81644 21.81644 0 {?} 0
124 {8.HB1} 1.545 0.011 0.042 ? 0.000 {?} {8.HN} 7.779 0.041 0.095 ++ 0.000 {?} 77.75351 77.75351 0 {?} 0
125 {13.HB1} 1.455 0.019 0.055 ? 0.000 {?} {13.HN} 7.932 0.038 0.077 ++ 0.000 {?} 49.09396 49.09396 0 {?} 0
126 {3.HB2} 1.460 0.027 0.027 ? 0.000 {?} {3.HN} 8.089 0.047 0.085 ++ 0.000 {?} 163.58420 163.58420 0 {?} 0
127 {7.HB2} 1.544 0.035 0.037 ? 0.000 {?} {7.HN} 8.211 0.050 0.078 ++ 0.000 {?} 20.56351 20.56351 0 {?} 0
128 {6.HB} 2.005 0.043 0.060 ? 0.000 {?} {6.HN} 8.212 0.055 0.077 ++ 0.000 {?} 20.98631 20.98631 0 {?} 0
129 {11.HB2} 1.954 0.024 0.056 ? 0.000 {?} {11.HN} 8.116 0.056 0.063 ++ 0.000 {?} 18.18552 18.18552 0 {?} 0
130 {3.HB1} 1.885 0.021 0.091 ? 0.000 {?} {3.HN} 8.095 0.038 0.091 ++ 0.000 {?} 22.72792 22.72792 0 {?} 0
131 {9.HB} 1.956 0.038 0.065 ? 0.000 {?} {10.HN} 8.403 0.073 0.061 ++ 0.000 {?} 17.54323 17.54323 0 {?} 0
132 {3.HB1} 1.875 0.030 0.051 ? 0.000 {?} {6.HN} 8.223 0.064 0.062 ++ 0.000 {?} 17.02018 17.02018 0 {?} 0
133 {4.HB1} 2.886 0.080 0.109 ? 0.000 {?} {5.HN} 7.883 0.084 0.056 ++ 0.000 {?} 12.04077 12.04077 0 {?} 0
134 {5.HN} 7.885 0.036 0.043 ++ 0.000 {?} {4.HB1} 2.874 0.128 0.137 ++ 0.000 {?} 21.65105 21.65105 0 {?} 0
135 {3.HA} 4.074 0.020 0.048 ? 0.000 {?} {6.HB} 2.003 0.048 0.053 ++ 0.000 {?} 20.71896 20.71896 0 {?} 0
136 {6.HB} 2.004 0.046 0.046 ? 0.000 {?} {3.HA} 4.067 0.065 0.050 ++ 0.000 {?} 14.45651 14.45651 0 {?} 0
137 {5.HA} 4.170 0.028 0.047 ? 0.000 {?} {8.HB1} 1.509 0.032 0.069 ? 0.000 {?} 61.80879 61.80879 0 {?} 0
138 {8.HB1} 1.538 0.012 0.021 ? 0.000 {?} {5.HA} 4.194 0.047 0.088 ++ 0.000 {?} 190.83209 190.83209 0 {?} 0
139 {7.HA} 3.848 0.041 0.041 ? 0.000 {?} {10.HB1} 1.452 0.040 0.074 ++ 0.000 {?} 54.52488 54.52488 0 {?} 0
140 {10.HB1} 1.458 0.025 0.036 ? 0.000 {?} {7.HA} 3.858 0.022 0.082 ? 0.000 {?} 41.19165 41.19165 0 {?} 0
141 {8.HA} 4.097 0.023 0.055 ? 0.000 {?} {11.HB2} 1.881 0.048 0.079 ++ 0.000 {?} 37.52077 37.52077 0 {?} 0
142 {9.HA} 3.730 0.032 0.052 ? 0.000 {?} {12.HB1} 1.504 0.045 0.079 ++ 0.000 {?} 53.76137 53.76137 0 {?} 0
143 {12.HB1} 1.510 0.030 0.063 ? 0.000 {?} {9.HA} 3.724 0.043 0.073 ++ 0.000 {?} 101.23315 101.23315 0 {?} 0
144 {10.HA} 3.936 0.011 0.023 ? 0.000 {?} {13.HB1} 1.451 0.030 0.056 ++ 0.000 {?} 236.83731 236.83731 0 {?} 0
145 {3.HB1} 1.886 0.066 0.066 ? 0.000 {?} {4.HN} 7.802 0.093 0.101 ++ 0.000 {?} 30.31343 30.31343 0 {?} 0
146 {7.HD1} 1.704 0.060 0.084 ? 0.000 {?} {8.HN} 7.792 0.109 0.073 ++ 0.000 {?} 21.23540 21.23540 0 {?} 0
147 {?5.HB1} 1.539 0.015 0.029 ? 0.000 {?} {?3.HN} 8.104 0.087 0.096 ++ 0.000 {?} 32.05450 32.05450 0 {?} 0
148 {?12.HB1} 1.497 0.015 0.040 ? 0.000 {?} {?11.HN} 8.087 0.051 0.078 ++ 0.000 {?} 48.39705 48.39705 0 {?} 0
149 {6.HA} 3.636 0.021 0.023 ? 0.000 {?} {6.HB} 1.972 0.089 0.094 ++ 0.000 {?} 24.34603 24.34603 0 {?} 0
150 {9.HA} 3.730 0.044 0.053 ? 0.000 {?} {9.HB} 1.955 0.072 0.080 ++ 0.000 {?} 24.05913 24.05913 0 {?} 0
151 {7.HA} 3.847 0.044 0.055 ? 0.000 {?} {7.HB2} 1.875 0.062 0.111 ++ 0.000 {?} 87.62682 87.62682 0 {?} 0
152 {2.HA} 3.908 0.026 0.042 ++ 0.000 {?} {2.HB} 1.879 0.049 0.084 ++ 0.000 {?} 80.58525 80.58525 0 {?} 0
153 {11.HA} 4.016 0.032 0.063 ++ 0.000 {?} {11.HB2} 1.881 0.051 0.100 ++ 0.000 {?} 123.15112 123.15112 0 {?} 0
154 {7.HA} 3.845 0.028 0.042 ? 0.000 {?} {7.HB1} 1.695 0.059 0.084 ++ 0.000 {?} 21.49516 21.49516 0 {?} 0
155 {3.HA} 4.079 0.034 0.047 ? 0.000 {?} {3.HB2} 1.719 0.044 0.079 ++ 0.000 {?} 37.15389 37.15389 0 {?} 0
156 {2.HA} 3.909 0.030 0.030 ++ 0.000 {?} {2.HG12} 1.633 0.079 0.058 ++ 0.000 {?} 17.95458 17.95458 0 {?} 0
157 {10.HA} 3.965 0.019 0.040 ? 0.000 {?} {10.HB1} 1.453 0.043 0.079 ++ 0.000 {?} 53.77489 53.77489 0 {?} 0
158 {8.HA} 4.106 0.022 0.047 ? 0.000 {?} {8.HB1} 1.521 0.043 0.080 ++ 0.000 {?} 47.58437 47.58437 0 {?} 0
159 {12.HA} 4.213 0.025 0.044 ? 0.000 {?} {12.HB1} 1.493 0.044 0.067 ++ 0.000 {?} 49.38354 49.38354 0 {?} 0
160 {5.HA} 4.172 0.023 0.040 ? 0.000 {?} {5.HB1} 1.445 0.022 0.047 ? 0.000 {?} 21.24323 21.24323 0 {?} 0
161 {11.HA} 4.007 0.021 0.049 ? 0.000 {?} {11.HD1} 1.452 0.042 0.062 ++ 0.000 {?} 45.28529 45.28529 0 {?} 0
162 {7.HA} 3.846 0.026 0.057 ? 0.000 {?} {7.HG2} 1.352 0.051 0.068 ++ 0.000 {?} 37.23848 37.23848 0 {?} 0
163 {2.HA} 3.905 0.029 0.029 ? 0.000 {?} {2.HG11} 1.253 0.093 0.055 ? 0.000 {?} 18.03056 18.03056 0 {?} 0
164 {?6.HA} 3.649 0.052 0.052 ? 0.000 {?} {?7.HB2} 1.860 0.073 0.081 ? 0.000 {?} 28.85553 28.85553 1 {?} 0
165 {3.HA} 4.076 0.049 0.049 ? 0.000 {?} {3.HD11} 0.970 0.050 0.066 ++ 0.000 {?} 26.52936 26.52936 0 {?} 0
166 {2.HA} 3.909 0.042 0.052 ? 0.000 {?} {2.HD11} 0.958 0.040 0.073 ++ 0.000 {?} 96.16709 96.16709 0 {?} 0
167 {9.HA} 3.732 0.075 0.084 ? 0.000 {?} {9.HG12} 0.895 0.031 0.067 ++ 0.000 {?} 96.83868 96.83868 0 {?} 0
168 {6.HA} 3.646 0.048 0.068 ? 0.000 {?} {6.HG12} 0.888 0.065 0.081 ? 0.000 {?} 52.21444 52.21444 0 {?} 0
169 {?3.HA} 4.077 0.038 0.064 ? 0.000 {?} {?6.HG12} 0.899 0.041 0.057 ++ 0.000 {?} 41.16022 41.16022 1 {?} 0
170 {4.HA} 4.309 0.041 0.041 ? 0.000 {?} {4.HB1} 2.853 0.104 0.104 ++ 0.000 {?} 13.26950 13.26950 0 {?} 0
171 {6.HG12} 1.867 0.031 0.057 ++ 0.000 {?} {6.HG11} 0.830 0.024 0.045 ++ 0.000 {?} 46.91870 46.91870 0 {?} 0
172 {6.HB} 1.980 0.053 0.072 ? 0.000 {?} {6.HG12} 0.826 0.036 0.048 ++ 0.000 {?} 10.19467 10.19467 0 {?} 0
173 {6.HG12} 0.818 0.030 0.052 ? 0.000 {?} {6.HB} 1.991 0.052 0.100 ++ 0.000 {?} 27.93658 27.93658 0 {?} 0
174 {6.HG11} 0.833 0.027 0.044 ++ 0.000 {?} {6.HG12} 1.864 0.042 0.089 ++ 0.000 {?} 113.69632 113.69632 0 {?} 0
175 {6.HG12} 1.118 0.048 0.048 ? 0.000 {?} {6.HD11} 0.829 0.026 0.050 ++ 0.000 {?} 37.13002 37.13002 0 {?} 0
176 {6.HD11} 0.831 0.021 0.062 ? 0.000 {?} {6.HG12} 1.105 0.023 0.045 ++ 0.000 {?} 42.67757 42.67757 0 {?} 0
177 {5.HN} 7.887 0.018 0.030 ? 0.000 {?} {2.HA} 3.900 0.046 0.056 ++ 0.000 {?} 21.14213 21.14213 0 {?} 0
178 {4.HN} 7.782 0.021 0.021 ? 0.000 {?} {3.HB1} 1.879 0.041 0.059 ++ 0.000 {?} 27.58312 27.58312 0 {?} 0
179 {2.HN} 8.788 0.021 0.041 ++ 0.000 {?} {1.HA2} 3.994 0.033 0.069 ? 0.000 {?} 18.18932 18.18932 0 {?} 0
180 {2.HN} 8.787 0.037 0.046 ++ 0.000 {?} {1.HA1} 4.128 0.070 0.096 ++ 0.000 {?} 28.57767 28.57767 0 {?} 0
181 {9.HN} 8.105 0.021 0.028 ++ 0.000 {?} {8.HA} 4.102 0.038 0.065 ? 0.000 {?} 25.07659 25.07659 0 {?} 0
182 {9.HN} 8.110 0.009 0.009 ? 0.000 {?} {7.HA} 3.844 0.051 0.049 ++ 0.000 {?} 11.07712 11.07712 0 {?} 0
183 {7.HB2} 1.882 0.061 0.061 ? 0.000 {?} {4.HA} 4.307 0.035 0.046 ++ 0.000 {?} 17.39914 17.39914 0 {?} 0
184 {?} 8.406 0.017 0.017 ++ 0.000 {?} {?} 1.876 0.055 0.052 ? 0.000 {?} 0.00000 13.97841 -1 {?} 0
185 {4.HN} 7.800 0.015 0.024 ++ 0.000 {?} {3.HA} 4.076 0.025 0.041 ++ 0.000 {?} 16.99333 16.99333 0 {?} 0
186 {7.HN} 8.229 0.010 0.010 ? 0.000 {?} {3.HA} 4.077 0.021 0.019 ++ 0.000 {?} 10.81319 10.81319 0 {?} 0
187 {7.HN} 8.229 0.016 0.016 ? 0.000 {?} {4.HA} 4.311 0.022 0.012 ? 0.000 {?} 9.73858 9.73858 0 {?} 0
188 {6.HN} 8.207 0.009 0.009 ? 0.000 {?} {5.HA} 4.187 0.085 0.036 ++ 0.000 {?} 10.77101 10.77101 0 {?} 0
189 {8.HN} 7.775 0.022 0.022 ? 0.000 {?} {5.HA} 4.199 0.062 0.038 ++ 0.000 {?} 11.57429 11.57429 0 {?} 0
190 {9.HN} 8.116 0.008 0.019 ++ 0.000 {?} {5.HA} 4.182 0.029 0.057 ++ 0.000 {?} 16.45118 16.45118 0 {?} 0
191 {7.HN} 8.239 0.013 0.024 ++ 0.000 {?} {6.HB} 2.007 0.044 0.069 ++ 0.000 {?} 12.47112 12.47112 0 {?} 0
192 {6.HA} 3.659 0.020 0.027 ? 0.000 {?} {9.HB} 1.970 0.071 0.089 ++ 0.000 {?} 31.85396 31.85396 0 {?} 0
193 {9.HN} 8.122 0.010 0.023 ? 0.000 {?} {8.HN} 7.798 0.039 0.081 ++ 0.000 {?} 10.32784 10.32784 0 {?} 0
194 {8.HN} 7.775 0.008 0.015 ? 0.000 {?} {9.HN} 8.114 0.024 0.019 ++ 0.000 {?} 5.54053 5.54053 0 {?} 0
195 {9.HN} 8.112 0.028 0.060 ? 0.000 {?} {8.HB1} 1.539 0.029 0.066 ++ 0.000 {?} 30.06472 30.06472 0 {?} 0
196 {12.HN} 7.818 0.009 0.024 ++ 0.000 {?} {8.HA} 4.097 0.011 0.047 ? 0.000 {?} 9.43073 9.43073 0 {?} 0
197 {13.HN} 8.085 0.015 0.015 ? 0.000 {?} {9.HA} 3.727 0.036 0.054 ++ 0.000 {?} 10.19084 10.19084 0 {?} 0
198 {11.HN} 8.102 0.014 0.048 ? 0.000 {?} {10.HA} 3.945 0.025 0.037 ++ 0.000 {?} 34.29921 34.29921 0 {?} 0
199 {10.HN} 8.401 0.008 0.015 ++ 0.000 {?} {11.HN} 8.106 0.039 0.076 ++ 0.000 {?} 19.50153 19.50153 0 {?} 0
200 {11.HN} 8.098 0.009 0.014 ++ 0.000 {?} {10.HN} 8.403 0.043 0.070 ++ 0.000 {?} 22.74261 22.74261 0 {?} 0
201 {14.HN} 7.947 0.040 0.042 ? 0.000 {?} {10.HA} 3.953 0.020 0.035 ? 0.000 {?} 14.99779 14.99779 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 2 . 6900 Hz . . . 4.78 . . 30744 1
2 . . H 1 H 1 . 6900 Hz . . . 4.78 . . 30744 1
stop_
save_