Content for NMR-STAR saveframe, "spectral_peak_list_2"
save_spectral_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_2
_Spectral_peak_list.Entry_ID 30821
_Spectral_peak_list.ID 2
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 3
_Spectral_peak_list.Sample_label $sample_3
_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 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 H1
#INAME 2 H1
#INAME 3 C13
1 7.295 7.295 120.089 0 U 3.287e+06 0.00e+00 - 0 3703 3703 3721 0
# CD2 H793
2 7.295 8.982 120.089 0 U 2.379e+05 0.00e+00 - 0 3703 221 3721 0
# CD2 H793
3 7.295 7.559 120.089 0 U 3.718e+05 0.00e+00 - 0 3703 3720 3721 0
# CD2 H793
4 7.295 3.196 120.089 0 U 6.407e+05 0.00e+00 - 0 3703 3465 3721 0
# CD2 H793
5 7.295 5.688 120.089 0 U 6.559e+05 0.00e+00 - 0 3703 3039 3721 0
# CD2 H793
6 7.295 1.899 120.089 0 U 5.916e+05 0.00e+00 - 0 3703 3231 3721 0
# CD2 H793
7 7.295 3.196 120.089 0 U 6.407e+05 0.00e+00 - 0 3703 3038 3721 0
# CD2 H793
8 6.760 2.672 132.459 0 U 1.253e+06 0.00e+00 - 0 3796 2938 3767 0
# CD1 Y755
9 6.760 6.760 132.459 0 U 1.198e+07 0.00e+00 - 0 3796 3796 3767 0
# CD1 Y755
10 6.760 8.364 132.459 0 U -7.735e+04 0.00e+00 - 0 3796 345 3767 0
# CD1 Y755
11 6.760 9.588 132.459 0 U -1.043e+05 0.00e+00 - 0 3796 17 3767 0
# CD1 Y755
12 6.760 3.867 132.459 0 U 1.328e+06 0.00e+00 - 0 3796 2940 3767 0
# CD1 Y755
13 6.760 2.905 132.459 0 U 1.714e+06 0.00e+00 - 0 3796 2939 3767 0
# CD1 Y755
14 6.760 6.529 132.459 0 U 3.607e+05 0.00e+00 - 0 3796 3797 3767 0
# CD1 Y755
15 7.316 7.316 133.155 0 U 2.951e+07 0.00e+00 - 0 3813 3813 3812 0
# CD1 Y830
16 7.316 4.458 133.155 0 U 1.890e+06 0.00e+00 - 0 3813 3147 3812 0
# CD1 Y830
17 7.316 7.703 133.155 0 U 5.337e+05 0.00e+00 - 0 3813 303 3812 0
# CD1 Y830
18 7.316 1.697 133.155 0 U 8.166e+05 0.00e+00 - 0 3813 3146 3812 0
# CD1 Y830
19 7.316 4.457 133.155 0 U 1.890e+06 0.00e+00 - 0 3813 2929 3812 0
# CD1 Y830
20 7.316 -0.168 133.155 0 U 2.153e+05 0.00e+00 - 0 3813 3475 3812 0
# CD1 Y830
21 7.316 8.697 133.155 0 U 1.535e+05 0.00e+00 - 0 3813 73 3812 0
# CD1 Y830
22 7.316 7.036 133.155 0 U 9.678e+06 0.00e+00 - 0 3813 3815 3812 0
# CD1 Y830
23 6.666 6.666 118.103 0 U 1.713e+08 0.00e+00 - 0 3801 3801 3749 0
# CE1 Y771
24 6.666 6.389 118.103 0 U 1.340e+07 0.00e+00 - 0 3801 3800 3749 0
# CE1 Y771
25 6.666 2.777 118.103 0 U 1.540e+06 0.00e+00 - 0 3801 3251 3749 0
# CE1 Y771
26 6.666 2.778 118.103 0 U 1.626e+06 0.00e+00 - 0 3801 3250 3749 0
# CE1 Y771
27 6.666 8.883 118.103 0 U 2.186e+05 0.00e+00 - 0 3801 23 3749 0
# CE1 Y771
28 6.666 0.810 118.103 0 U 4.865e+06 0.00e+00 - 0 3801 3314 3749 0
# CE1 Y771
29 6.666 5.223 118.103 0 U 4.104e+05 0.00e+00 - 0 3801 3253 3749 0
# CE1 Y771
30 6.694 1.385 116.931 0 U 1.786e+05 0.00e+00 - 0 3790 3494 3791 0
# CE1 Y718
31 6.694 10.656 116.931 0 U 6.072e+04 0.00e+00 - 0 3790 21 3791 0
# CE1 Y718
32 6.694 6.694 116.931 0 U 6.581e+06 0.00e+00 - 0 3790 3790 3791 0
# CE1 Y718
33 6.694 2.735 116.931 0 U 1.829e+05 0.00e+00 - 0 3790 2836 3791 0
# CE1 Y718
34 6.694 7.205 116.931 0 U 1.911e+05 0.00e+00 - 0 3790 3787 3791 0
# CE1 Y718
35 6.694 2.955 116.931 0 U 6.294e+04 0.00e+00 - 0 3790 2839 3791 0
# CE1 Y718
36 6.694 4.214 116.931 0 U 2.114e+05 0.00e+00 - 0 3790 2763 3791 0
# CE1 Y718
37 6.694 4.757 116.931 0 U 8.014e+04 0.00e+00 - 0 3790 2837 3791 0
# CE1 Y718
38 7.399 7.399 114.434 0 U 1.849e+07 0.00e+00 - 0 3806 3806 3755 0
# CE1 Y828
39 7.399 7.024 114.434 0 U 6.648e+05 0.00e+00 - 0 3806 3805 3755 0
# CE1 Y828
40 7.399 3.041 114.434 0 U 1.373e+05 0.00e+00 - 0 3806 3108 3755 0
# CE1 Y828
41 7.399 9.103 114.434 0 U -1.884e+05 0.00e+00 - 0 3806 57 3755 0
# CE1 Y828
42 7.399 4.890 114.434 0 U 6.230e+05 0.00e+00 - 0 3806 3106 3755 0
# CE1 Y828
43 7.399 3.041 114.434 0 U 1.373e+05 0.00e+00 - 0 3806 3473 3755 0
# CE1 Y828
44 6.339 2.606 117.746 0 U 1.005e+06 0.00e+00 - 0 3795 2842 3745 0
# CE1 Y750
45 6.339 6.339 117.746 0 U 2.949e+07 0.00e+00 - 0 3795 3795 3745 0
# CE1 Y750
46 6.339 1.387 117.746 0 U 6.175e+06 0.00e+00 - 0 3795 3293 3745 0
# CE1 Y750
47 6.339 6.965 117.746 0 U 5.893e+06 0.00e+00 - 0 3795 3794 3745 0
# CE1 Y750
48 6.339 3.186 117.746 0 U 8.340e+05 0.00e+00 - 0 3795 2840 3745 0
# CE1 Y750
49 6.339 10.113 117.746 0 U -2.952e+05 0.00e+00 - 0 3795 157 3745 0
# CE1 Y750
50 6.339 0.989 117.746 0 U 3.621e+06 0.00e+00 - 0 3795 3699 3745 0
# CE1 Y750
51 6.339 5.797 117.746 0 U 1.702e+06 0.00e+00 - 0 3795 2843 3745 0
# CE1 Y750
52 6.339 3.580 117.746 0 U 2.834e+06 0.00e+00 - 0 3795 3142 3745 0
# CE1 Y750
53 7.559 7.295 137.789 0 U -4.330e+05 0.00e+00 - 0 3720 3703 3719 0
# CE1 H793
54 7.559 8.982 137.789 0 U 1.809e+05 0.00e+00 - 0 3720 221 3719 0
# CE1 H793
55 7.559 7.559 137.789 0 U 4.707e+07 0.00e+00 - 0 3720 3720 3719 0
# CE1 H793
56 7.559 1.631 137.789 0 U 7.307e+06 0.00e+00 - 0 3720 3011 3719 0
# CE1 H793
57 7.559 3.196 137.789 0 U 2.122e+05 0.00e+00 - 0 3720 3465 3719 0
# CE1 H793
58 7.559 5.688 137.789 0 U 6.292e+05 0.00e+00 - 0 3720 3039 3719 0
# CE1 H793
59 7.559 3.196 137.789 0 U 2.122e+05 0.00e+00 - 0 3720 3038 3719 0
# CE1 H793
60 6.389 6.666 132.741 0 U 8.349e+06 0.00e+00 - 0 3800 3801 3771 0
# CD1 Y771
61 6.389 6.389 132.741 0 U 4.980e+07 0.00e+00 - 0 3800 3800 3771 0
# CD1 Y771
62 6.389 2.777 132.741 0 U 2.907e+06 0.00e+00 - 0 3800 3251 3771 0
# CD1 Y771
63 6.389 2.778 132.741 0 U 2.907e+06 0.00e+00 - 0 3800 3250 3771 0
# CD1 Y771
64 6.389 0.625 132.741 0 U 2.138e+06 0.00e+00 - 0 3800 3315 3771 0
# CD1 Y771
65 6.389 8.883 132.741 0 U 1.414e+05 0.00e+00 - 0 3800 23 3771 0
# CD1 Y771
66 6.389 1.071 132.741 0 U 3.380e+06 0.00e+00 - 0 3800 3452 3771 0
# CD1 Y771
67 6.389 7.993 132.741 0 U 1.413e+05 0.00e+00 - 0 3800 69 3771 0
# CD1 Y771
68 6.389 5.223 132.741 0 U 1.373e+06 0.00e+00 - 0 3800 3253 3771 0
# CD1 Y771
69 7.024 9.342 130.942 0 U -3.937e+04 0.00e+00 - 0 3805 85 3810 0
# CD1 Y828
70 7.024 7.399 130.942 0 U 2.373e+04 0.00e+00 - 0 3805 3806 3810 0
# CD1 Y828
71 7.024 1.027 130.942 0 U -2.552e+03 0.00e+00 - 0 3805 3688 3810 0
# CD1 Y828
72 7.024 7.024 130.942 0 U 5.750e+05 0.00e+00 - 0 3805 3805 3810 0
# CD1 Y828
73 7.024 3.041 130.942 0 U 1.340e+05 0.00e+00 - 0 3805 3108 3810 0
# CD1 Y828
74 7.024 9.103 130.942 0 U 9.217e+04 0.00e+00 - 0 3805 57 3810 0
# CD1 Y828
75 7.024 4.890 130.942 0 U -5.629e+04 0.00e+00 - 0 3805 3106 3810 0
# CD1 Y828
76 7.024 3.041 130.942 0 U 1.340e+05 0.00e+00 - 0 3805 3473 3810 0
# CD1 Y828
77 6.668 2.694 132.797 0 U 4.778e+05 0.00e+00 - 0 3822 2782 3824 0
# CD1 Y843
78 6.668 7.550 132.797 0 U 2.135e+05 0.00e+00 - 0 3822 271 3824 0
# CD1 Y843
79 6.668 6.668 132.797 0 U 6.131e+06 0.00e+00 - 0 3822 3822 3824 0
# CD1 Y843
80 6.668 2.217 132.797 0 U 5.076e+05 0.00e+00 - 0 3822 2785 3824 0
# CD1 Y843
81 6.668 4.036 132.797 0 U 8.619e+05 0.00e+00 - 0 3822 2784 3824 0
# CD1 Y843
82 6.668 6.485 132.797 0 U 3.268e+06 0.00e+00 - 0 3822 3758 3824 0
# CD1 Y843
83 6.965 2.606 131.791 0 U 1.716e+06 0.00e+00 - 0 3794 2842 3766 0
# CD1 Y750
84 6.965 6.339 131.791 0 U 3.918e+06 0.00e+00 - 0 3794 3795 3766 0
# CD1 Y750
85 6.965 8.474 131.791 0 U 6.823e+04 0.00e+00 - 0 3794 53 3766 0
# CD1 Y750
86 6.965 1.387 131.791 0 U 2.957e+06 0.00e+00 - 0 3794 3293 3766 0
# CD1 Y750
87 6.965 6.965 131.791 0 U 9.173e+06 0.00e+00 - 0 3794 3794 3766 0
# CD1 Y750
88 6.965 3.186 131.791 0 U 1.194e+06 0.00e+00 - 0 3794 2840 3766 0
# CD1 Y750
89 6.965 10.113 131.791 0 U -1.611e+04 0.00e+00 - 0 3794 157 3766 0
# CD1 Y750
90 6.965 0.989 131.791 0 U 2.413e+06 0.00e+00 - 0 3794 3699 3766 0
# CD1 Y750
91 6.965 0.810 131.791 0 U 2.140e+06 0.00e+00 - 0 3794 3314 3766 0
# CD1 Y750
92 6.965 5.797 131.791 0 U 1.923e+06 0.00e+00 - 0 3794 2843 3766 0
# CD1 Y750
93 6.965 3.580 131.791 0 U 1.206e+06 0.00e+00 - 0 3794 3142 3766 0
# CD1 Y750
94 6.807 3.231 118.420 0 U 1.430e+06 0.00e+00 - 0 3804 3188 3753 0
# CE1 Y800
95 6.807 6.807 118.420 0 U 1.671e+08 0.00e+00 - 0 3804 3804 3753 0
# CE1 Y800
96 6.807 7.075 118.420 0 U 2.272e+07 0.00e+00 - 0 3804 3809 3753 0
# CE1 Y800
97 6.807 2.988 118.420 0 U 1.326e+06 0.00e+00 - 0 3804 3187 3753 0
# CE1 Y800
98 6.807 4.487 118.420 0 U 7.134e+05 0.00e+00 - 0 3804 3185 3753 0
# CE1 Y800
99 6.807 8.145 118.420 0 U -8.447e+04 0.00e+00 - 0 3804 267 3753 0
# CE1 Y800
100 6.988 2.949 127.681 0 U 1.884e+06 0.00e+00 - 0 3736 3080 3735 0
# CD1 W763
101 6.988 6.988 127.681 0 U 1.011e+07 0.00e+00 - 0 3736 3825 3735 0
# CD1 W763
102 6.988 8.751 127.681 0 U -6.317e+04 0.00e+00 - 0 3736 191 3735 0
# CD1 W763
103 6.988 6.988 127.681 0 U 1.011e+07 0.00e+00 - 0 3736 3736 3735 0
# CD1 W763
104 6.988 5.538 127.681 0 U 2.775e+05 0.00e+00 - 0 3736 3083 3735 0
# CD1 W763
105 6.988 2.646 127.681 0 U 1.602e+06 0.00e+00 - 0 3736 3081 3735 0
# CD1 W763
106 6.988 4.667 127.681 0 U 3.256e+06 0.00e+00 - 0 3736 2879 3735 0
# CD1 W763
107 6.678 7.003 118.215 0 U -1.082e+07 0.00e+00 - 0 3793 315 3743 0
# CE1 Y722
108 6.678 2.441 118.215 0 U 2.622e+06 0.00e+00 - 0 3793 2915 3743 0
# CE1 Y722
109 6.678 0.820 118.215 0 U 8.266e+06 0.00e+00 - 0 3793 2702 3743 0
# CE1 Y722
110 6.678 6.678 118.215 0 U 9.430e+07 0.00e+00 - 0 3793 3793 3743 0
# CE1 Y722
111 6.678 6.949 118.215 0 U 3.681e+07 0.00e+00 - 0 3793 3792 3743 0
# CE1 Y722
112 6.678 4.038 118.215 0 U 2.752e+06 0.00e+00 - 0 3793 2918 3743 0
# CE1 Y722
113 6.678 3.112 118.215 0 U 2.180e+06 0.00e+00 - 0 3793 2917 3743 0
# CE1 Y722
114 7.139 2.495 114.422 0 U 4.704e+04 0.00e+00 - 0 3799 3037 3716 0
# CE1 Y761
115 7.139 3.115 114.422 0 U -1.084e+05 0.00e+00 - 0 3799 3035 3716 0
# CE1 Y761
116 7.139 7.139 114.422 0 U 1.505e+07 0.00e+00 - 0 3799 3799 3716 0
# CE1 Y761
117 7.139 4.898 114.422 0 U 2.936e+05 0.00e+00 - 0 3799 3034 3716 0
# CE1 Y761
118 7.139 6.677 114.422 0 U 3.303e+06 0.00e+00 - 0 3799 3798 3716 0
# CE1 Y761
119 7.139 9.483 114.422 0 U 8.820e+04 0.00e+00 - 0 3799 143 3716 0
# CE1 Y761
120 7.075 3.231 133.037 0 U 6.322e+06 0.00e+00 - 0 3809 3188 3808 0
# CD1 Y800
121 7.075 6.807 133.037 0 U 2.676e+07 0.00e+00 - 0 3809 3804 3808 0
# CD1 Y800
122 7.075 7.075 133.037 0 U 1.228e+08 0.00e+00 - 0 3809 3809 3808 0
# CD1 Y800
123 7.075 2.988 133.037 0 U 5.942e+06 0.00e+00 - 0 3809 3187 3808 0
# CD1 Y800
124 7.075 4.487 133.037 0 U 3.250e+06 0.00e+00 - 0 3809 3185 3808 0
# CD1 Y800
125 7.075 8.145 133.037 0 U 3.062e+05 0.00e+00 - 0 3809 267 3808 0
# CD1 Y800
126 7.205 10.656 132.663 0 U 3.962e+04 0.00e+00 - 0 3787 21 3788 0
# CD1 Y718
127 7.205 6.694 132.663 0 U -4.610e+02 0.00e+00 - 0 3787 3790 3788 0
# CD1 Y718
128 7.205 2.735 132.663 0 U 2.644e+05 0.00e+00 - 0 3787 2836 3788 0
# CD1 Y718
129 7.205 7.205 132.663 0 U 5.675e+06 0.00e+00 - 0 3787 3787 3788 0
# CD1 Y718
130 7.205 2.955 132.663 0 U 4.847e+05 0.00e+00 - 0 3787 2839 3788 0
# CD1 Y718
131 7.205 5.357 132.663 0 U 3.044e+04 0.00e+00 - 0 3787 3105 3788 0
# CD1 Y718
132 7.205 4.757 132.663 0 U -6.933e+04 0.00e+00 - 0 3787 2837 3788 0
# CD1 Y718
133 6.949 7.003 132.704 0 U 1.595e+07 0.00e+00 - 0 3792 315 3762 0
# CD1 Y722
134 6.949 2.441 132.704 0 U 3.796e+06 0.00e+00 - 0 3792 2915 3762 0
# CD1 Y722
135 6.949 0.471 132.704 0 U 3.705e+06 0.00e+00 - 0 3792 3643 3762 0
# CD1 Y722
136 6.949 6.678 132.704 0 U 1.503e+07 0.00e+00 - 0 3792 3793 3762 0
# CD1 Y722
137 6.949 6.949 132.704 0 U 3.393e+07 0.00e+00 - 0 3792 3792 3762 0
# CD1 Y722
138 6.949 4.038 132.704 0 U 3.463e+06 0.00e+00 - 0 3792 2918 3762 0
# CD1 Y722
139 6.949 3.112 132.704 0 U 4.036e+06 0.00e+00 - 0 3792 2917 3762 0
# CD1 Y722
140 6.677 2.495 129.670 0 U 5.617e+05 0.00e+00 - 0 3798 3037 3769 0
# CD1 Y761
141 6.677 3.115 129.670 0 U 1.132e+05 0.00e+00 - 0 3798 3035 3769 0
# CD1 Y761
142 6.677 7.139 129.670 0 U -2.705e+05 0.00e+00 - 0 3798 3799 3769 0
# CD1 Y761
143 6.677 4.898 129.670 0 U 8.918e+04 0.00e+00 - 0 3798 3034 3769 0
# CD1 Y761
144 6.677 6.677 129.670 0 U 5.546e+06 0.00e+00 - 0 3798 3798 3769 0
# CD1 Y761
145 6.677 9.483 129.670 0 U 3.028e+05 0.00e+00 - 0 3798 143 3769 0
# CD1 Y761
146 7.036 7.316 118.276 0 U 1.571e+07 0.00e+00 - 0 3815 3813 3814 0
# CE1 Y830
147 7.036 4.458 118.276 0 U 1.652e+06 0.00e+00 - 0 3815 3147 3814 0
# CE1 Y830
148 7.036 1.697 118.276 0 U 2.548e+05 0.00e+00 - 0 3815 3146 3814 0
# CE1 Y830
149 7.036 -0.168 118.276 0 U -2.374e+04 0.00e+00 - 0 3815 3475 3814 0
# CE1 Y830
150 7.036 8.697 118.276 0 U 2.026e+03 0.00e+00 - 0 3815 73 3814 0
# CE1 Y830
151 7.036 7.036 118.276 0 U 6.667e+07 0.00e+00 - 0 3815 3815 3814 0
# CE1 Y830
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# CD1 Y784
153 6.875 9.365 132.901 0 U 1.871e+05 0.00e+00 - 0 3803 207 3774 0
# CD1 Y784
154 6.875 3.314 132.901 0 U 3.554e+05 0.00e+00 - 0 3803 2890 3774 0
# CD1 Y784
155 6.875 4.847 132.901 0 U 6.254e+05 0.00e+00 - 0 3803 2888 3774 0
# CD1 Y784
156 6.875 6.875 132.901 0 U 5.867e+06 0.00e+00 - 0 3803 3803 3774 0
# CD1 Y784
157 6.875 9.264 132.901 0 U 2.615e+05 0.00e+00 - 0 3803 87 3774 0
# CD1 Y784
158 6.875 2.662 132.901 0 U 3.542e+05 0.00e+00 - 0 3803 2891 3774 0
# CD1 Y784
159 6.875 7.063 132.901 0 U 2.326e+07 0.00e+00 - 0 3803 3802 3774 0
# CD1 Y784
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# CD1 W797
161 7.088 5.521 124.455 0 U 1.096e+05 0.00e+00 - 0 3739 289 3738 0
# CD1 W797
162 7.088 3.646 124.455 0 U 4.307e+06 0.00e+00 - 0 3739 3126 3738 0
# CD1 W797
163 7.088 7.088 124.455 0 U 2.019e+07 0.00e+00 - 0 3739 3739 3738 0
# CD1 W797
164 7.088 3.352 124.455 0 U 7.040e+05 0.00e+00 - 0 3739 3125 3738 0
# CD1 W797
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# CD1 W839
166 7.095 2.869 127.082 0 U 1.040e+06 0.00e+00 - 0 3714 3477 3737 0
# CD1 W839
167 7.095 5.910 127.082 0 U 9.671e+05 0.00e+00 - 0 3714 2696 3737 0
# CD1 W839
168 7.095 9.624 127.082 0 U 9.351e+05 0.00e+00 - 0 3714 235 3737 0
# CD1 W839
169 7.095 3.871 127.082 0 U 3.312e+06 0.00e+00 - 0 3714 3668 3737 0
# CD1 W839
170 7.095 4.489 127.082 0 U 1.790e+06 0.00e+00 - 0 3714 3063 3737 0
# CD1 W839
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# CD1 W839
172 7.095 7.095 127.082 0 U 1.540e+07 0.00e+00 - 0 3714 3714 3737 0
# CD1 W839
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# CE1 F749
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# CE1 F749
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# CE1 F749
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# CE1 F749
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# CE1 F749
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# CE1 F749
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# CE1 F749
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# CE1 Y755
181 6.529 6.760 117.003 0 U 3.377e+05 0.00e+00 - 0 3797 3796 3747 0
# CE1 Y755
182 6.529 9.588 117.003 0 U 4.840e+05 0.00e+00 - 0 3797 17 3747 0
# CE1 Y755
183 6.529 3.867 117.003 0 U 3.433e+06 0.00e+00 - 0 3797 2940 3747 0
# CE1 Y755
184 6.529 2.905 117.003 0 U 4.726e+05 0.00e+00 - 0 3797 2939 3747 0
# CE1 Y755
185 6.529 6.529 117.003 0 U 3.689e+07 0.00e+00 - 0 3797 3797 3747 0
# CE1 Y755
186 7.246 4.439 122.165 0 U -6.997e+04 0.00e+00 - 0 3807 2808 3772 0
# CE1 Y844
187 7.246 7.562 122.165 0 U -1.559e+04 0.00e+00 - 0 3807 327 3772 0
# CE1 Y844
188 7.246 3.513 122.165 0 U 8.913e+05 0.00e+00 - 0 3807 2806 3772 0
# CE1 Y844
189 7.246 7.246 122.165 0 U 1.412e+07 0.00e+00 - 0 3807 3807 3772 0
# CE1 Y844
190 7.246 2.578 122.165 0 U 2.092e+05 0.00e+00 - 0 3807 2805 3772 0
# CE1 Y844
191 6.485 2.694 119.334 0 U 3.035e+05 0.00e+00 - 0 3758 2782 3757 0
# CE1 Y843
192 6.485 7.550 119.334 0 U -7.416e+05 0.00e+00 - 0 3758 271 3757 0
# CE1 Y843
193 6.485 6.668 119.334 0 U 1.706e+06 0.00e+00 - 0 3758 3822 3757 0
# CE1 Y843
194 6.485 2.217 119.334 0 U 6.619e+05 0.00e+00 - 0 3758 2785 3757 0
# CE1 Y843
195 6.485 4.036 119.334 0 U 9.438e+05 0.00e+00 - 0 3758 2784 3757 0
# CE1 Y843
196 6.485 6.485 119.334 0 U 5.458e+06 0.00e+00 - 0 3758 3758 3757 0
# CE1 Y843
197 7.063 3.314 119.771 0 U 9.857e+05 0.00e+00 - 0 3802 2890 3751 0
# CE1 Y784
198 7.063 4.847 119.771 0 U 6.528e+04 0.00e+00 - 0 3802 2888 3751 0
# CE1 Y784
199 7.063 6.875 119.771 0 U 2.162e+05 0.00e+00 - 0 3802 3803 3751 0
# CE1 Y784
200 7.063 9.264 119.771 0 U 2.204e+05 0.00e+00 - 0 3802 87 3751 0
# CE1 Y784
201 7.063 2.662 119.771 0 U 1.255e+06 0.00e+00 - 0 3802 2891 3751 0
# CE1 Y784
202 7.063 7.063 119.771 0 U 4.733e+06 0.00e+00 - 0 3802 3802 3751 0
# CE1 Y784
;
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 . . 13586.956 Hz . . . 4.698 . . 30821 2
2 . . C 13 C . . 10690.663 Hz . . . 125 . . 30821 2
3 . . H 1 H . . 13603.424 Hz . . . 4.698 . . 30821 2
stop_
save_