Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 34276
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H NOESY' . . . 34276 1
2 '2D 1H-1H NOESY' . . . 34276 1
3 '2D 1H-1H TOCSY' . . . 34276 1
4 '2D DQF-COSY' . . . 34276 1
5 '2D 1H-13C HSQC' . . . 34276 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 TCJ H1' H 1 6.200 0.002 . 1 . . . . A 1 TCJ H1' . 34276 1
2 . 1 1 1 1 TCJ H2' H 1 3.069 0.004 . 1 . . . . A 1 TCJ H2' . 34276 1
3 . 1 1 1 1 TCJ H2'' H 1 3.322 0.006 . 1 . . . . A 1 TCJ H2'' . 34276 1
4 . 1 1 1 1 TCJ H4' H 1 4.851 0.001 . 1 . . . . A 1 TCJ H4' . 34276 1
5 . 1 1 1 1 TCJ H6 H 1 8.096 0.001 . 1 . . . . A 1 TCJ H6 . 34276 1
6 . 1 1 1 1 TCJ H6' H 1 1.915 0.003 . 1 . . . . A 1 TCJ H6' . 34276 1
7 . 1 1 1 1 TCJ H7' H 1 2.150 0.002 . 1 . . . . A 1 TCJ H7' . 34276 1
8 . 1 1 1 1 TCJ H7'' H 1 2.536 0.002 . 1 . . . . A 1 TCJ H7'' . 34276 1
9 . 1 1 1 1 TCJ H8' H 1 1.176 0.004 . 1 . . . . A 1 TCJ H8' . 34276 1
10 . 1 1 1 1 TCJ H8'' H 1 1.824 0.008 . 1 . . . . A 1 TCJ H8'' . 34276 1
11 . 1 1 1 1 TCJ H42 H 1 7.046 0.002 . 1 . . . . A 1 TCJ H42 . 34276 1
12 . 1 1 1 1 TCJ H71 H 1 2.188 0.002 . 1 . . . . A 1 TCJ H71 . 34276 1
13 . 1 1 1 1 TCJ H72 H 1 2.188 0.002 . 1 . . . . A 1 TCJ H72 . 34276 1
14 . 1 1 1 1 TCJ H73 H 1 2.188 0.002 . 1 . . . . A 1 TCJ H73 . 34276 1
15 . 1 1 1 1 TCJ C4' C 13 93.624 0.000 . 1 . . . . A 1 TCJ C4' . 34276 1
16 . 1 1 1 1 TCJ C6 C 13 140.731 0.000 . 1 . . . . A 1 TCJ C6 . 34276 1
17 . 1 1 1 1 TCJ C6' C 13 25.644 0.000 . 1 . . . . A 1 TCJ C6' . 34276 1
18 . 1 1 1 1 TCJ C7' C 13 42.279 0.002 . 1 . . . . A 1 TCJ C7' . 34276 1
19 . 1 1 1 1 TCJ C8' C 13 18.420 0.014 . 1 . . . . A 1 TCJ C8' . 34276 1
20 . 1 1 2 2 EAN H1' H 1 6.155 0.004 . 1 . . . . A 2 EAN H1' . 34276 1
21 . 1 1 2 2 EAN H2' H 1 3.259 0.008 . 1 . . . . A 2 EAN H2' . 34276 1
22 . 1 1 2 2 EAN H2'' H 1 3.352 0.004 . 1 . . . . A 2 EAN H2'' . 34276 1
23 . 1 1 2 2 EAN H3 H 1 14.660 0.007 . 1 . . . . A 2 EAN H3 . 34276 1
24 . 1 1 2 2 EAN H4' H 1 4.918 0.001 . 1 . . . . A 2 EAN H4' . 34276 1
25 . 1 1 2 2 EAN H6 H 1 7.770 0.002 . 1 . . . . A 2 EAN H6 . 34276 1
26 . 1 1 2 2 EAN H6' H 1 2.042 0.002 . 1 . . . . A 2 EAN H6' . 34276 1
27 . 1 1 2 2 EAN H7' H 1 2.055 0.002 . 1 . . . . A 2 EAN H7' . 34276 1
28 . 1 1 2 2 EAN H7'' H 1 2.777 0.002 . 1 . . . . A 2 EAN H7'' . 34276 1
29 . 1 1 2 2 EAN H8' H 1 1.357 0.004 . 1 . . . . A 2 EAN H8' . 34276 1
30 . 1 1 2 2 EAN H8'' H 1 1.842 0.003 . 1 . . . . A 2 EAN H8'' . 34276 1
31 . 1 1 2 2 EAN H71 H 1 1.864 0.002 . 1 . . . . A 2 EAN H71 . 34276 1
32 . 1 1 2 2 EAN H72 H 1 1.864 0.002 . 1 . . . . A 2 EAN H72 . 34276 1
33 . 1 1 2 2 EAN H73 H 1 1.864 0.002 . 1 . . . . A 2 EAN H73 . 34276 1
34 . 1 1 2 2 EAN C1' C 13 91.958 0.000 . 1 . . . . A 2 EAN C1' . 34276 1
35 . 1 1 2 2 EAN C4' C 13 93.400 0.000 . 1 . . . . A 2 EAN C4' . 34276 1
36 . 1 1 2 2 EAN C6 C 13 138.408 0.000 . 1 . . . . A 2 EAN C6 . 34276 1
37 . 1 1 2 2 EAN C6' C 13 25.476 0.000 . 1 . . . . A 2 EAN C6' . 34276 1
38 . 1 1 2 2 EAN C7' C 13 41.959 0.038 . 1 . . . . A 2 EAN C7' . 34276 1
39 . 1 1 2 2 EAN C8' C 13 17.331 0.030 . 1 . . . . A 2 EAN C8' . 34276 1
40 . 1 1 3 3 TCJ H1' H 1 6.037 0.003 . 1 . . . . A 3 TCJ H1' . 34276 1
41 . 1 1 3 3 TCJ H2' H 1 2.975 0.004 . 1 . . . . A 3 TCJ H2' . 34276 1
42 . 1 1 3 3 TCJ H2'' H 1 3.296 0.004 . 1 . . . . A 3 TCJ H2'' . 34276 1
43 . 1 1 3 3 TCJ H4' H 1 4.920 0.003 . 1 . . . . A 3 TCJ H4' . 34276 1
44 . 1 1 3 3 TCJ H6 H 1 7.660 0.003 . 1 . . . . A 3 TCJ H6 . 34276 1
45 . 1 1 3 3 TCJ H6' H 1 1.990 0.003 . 1 . . . . A 3 TCJ H6' . 34276 1
46 . 1 1 3 3 TCJ H7' H 1 2.028 0.004 . 1 . . . . A 3 TCJ H7' . 34276 1
47 . 1 1 3 3 TCJ H7'' H 1 2.619 0.002 . 1 . . . . A 3 TCJ H7'' . 34276 1
48 . 1 1 3 3 TCJ H8' H 1 1.340 0.003 . 1 . . . . A 3 TCJ H8' . 34276 1
49 . 1 1 3 3 TCJ H8'' H 1 1.793 0.003 . 1 . . . . A 3 TCJ H8'' . 34276 1
50 . 1 1 3 3 TCJ H41 H 1 8.904 0.007 . 1 . . . . A 3 TCJ H41 . 34276 1
51 . 1 1 3 3 TCJ H42 H 1 6.725 0.005 . 1 . . . . A 3 TCJ H42 . 34276 1
52 . 1 1 3 3 TCJ H71 H 1 1.921 0.004 . 1 . . . . A 3 TCJ H71 . 34276 1
53 . 1 1 3 3 TCJ H72 H 1 1.921 0.004 . 1 . . . . A 3 TCJ H72 . 34276 1
54 . 1 1 3 3 TCJ H73 H 1 1.921 0.004 . 1 . . . . A 3 TCJ H73 . 34276 1
55 . 1 1 3 3 TCJ C1' C 13 91.740 0.000 . 1 . . . . A 3 TCJ C1' . 34276 1
56 . 1 1 3 3 TCJ C4' C 13 93.389 0.000 . 1 . . . . A 3 TCJ C4' . 34276 1
57 . 1 1 3 3 TCJ C6 C 13 137.868 0.000 . 1 . . . . A 3 TCJ C6 . 34276 1
58 . 1 1 3 3 TCJ C6' C 13 25.250 0.000 . 1 . . . . A 3 TCJ C6' . 34276 1
59 . 1 1 3 3 TCJ C7' C 13 40.465 0.024 . 1 . . . . A 3 TCJ C7' . 34276 1
60 . 1 1 3 3 TCJ C8' C 13 17.174 0.008 . 1 . . . . A 3 TCJ C8' . 34276 1
61 . 1 1 4 4 F4Q H1 H 1 12.603 0.009 . 1 . . . . A 4 F4Q H1 . 34276 1
62 . 1 1 4 4 F4Q H1' H 1 6.265 0.002 . 1 . . . . A 4 F4Q H1' . 34276 1
63 . 1 1 4 4 F4Q H2' H 1 3.223 0.005 . 1 . . . . A 4 F4Q H2' . 34276 1
64 . 1 1 4 4 F4Q H2'' H 1 3.335 0.004 . 1 . . . . A 4 F4Q H2'' . 34276 1
65 . 1 1 4 4 F4Q H4' H 1 4.877 0.001 . 1 . . . . A 4 F4Q H4' . 34276 1
66 . 1 1 4 4 F4Q H6' H 1 1.835 0.003 . 1 . . . . A 4 F4Q H6' . 34276 1
67 . 1 1 4 4 F4Q H7' H 1 1.565 0.006 . 1 . . . . A 4 F4Q H7' . 34276 1
68 . 1 1 4 4 F4Q H7'' H 1 2.542 0.002 . 1 . . . . A 4 F4Q H7'' . 34276 1
69 . 1 1 4 4 F4Q H8 H 1 7.699 0.002 . 1 . . . . A 4 F4Q H8 . 34276 1
70 . 1 1 4 4 F4Q H8' H 1 1.202 0.003 . 1 . . . . A 4 F4Q H8' . 34276 1
71 . 1 1 4 4 F4Q H8'' H 1 1.780 0.004 . 1 . . . . A 4 F4Q H8'' . 34276 1
72 . 1 1 4 4 F4Q H21 H 1 8.464 0.012 . 1 . . . . A 4 F4Q H21 . 34276 1
73 . 1 1 4 4 F4Q H22 H 1 5.983 0.001 . 1 . . . . A 4 F4Q H22 . 34276 1
74 . 1 1 4 4 F4Q C1' C 13 90.694 0.000 . 1 . . . . A 4 F4Q C1' . 34276 1
75 . 1 1 4 4 F4Q C4' C 13 93.337 0.000 . 1 . . . . A 4 F4Q C4' . 34276 1
76 . 1 1 4 4 F4Q C6' C 13 25.686 0.150 . 1 . . . . A 4 F4Q C6' . 34276 1
77 . 1 1 4 4 F4Q C7' C 13 41.058 0.068 . 1 . . . . A 4 F4Q C7' . 34276 1
78 . 1 1 4 4 F4Q C8 C 13 136.309 0.000 . 1 . . . . A 4 F4Q C8 . 34276 1
79 . 1 1 4 4 F4Q C8' C 13 17.174 0.008 . 1 . . . . A 4 F4Q C8' . 34276 1
80 . 1 1 5 5 F4Q H1 H 1 13.360 0.005 . 1 . . . . A 5 F4Q H1 . 34276 1
81 . 1 1 5 5 F4Q H1' H 1 6.384 0.002 . 1 . . . . A 5 F4Q H1' . 34276 1
82 . 1 1 5 5 F4Q H2' H 1 3.225 0.002 . 1 . . . . A 5 F4Q H2' . 34276 1
83 . 1 1 5 5 F4Q H2'' H 1 3.315 0.006 . 1 . . . . A 5 F4Q H2'' . 34276 1
84 . 1 1 5 5 F4Q H4' H 1 4.878 0.002 . 1 . . . . A 5 F4Q H4' . 34276 1
85 . 1 1 5 5 F4Q H6' H 1 1.782 0.001 . 1 . . . . A 5 F4Q H6' . 34276 1
86 . 1 1 5 5 F4Q H7' H 1 1.448 0.004 . 1 . . . . A 5 F4Q H7' . 34276 1
87 . 1 1 5 5 F4Q H7'' H 1 2.726 0.001 . 1 . . . . A 5 F4Q H7'' . 34276 1
88 . 1 1 5 5 F4Q H8 H 1 7.400 0.001 . 1 . . . . A 5 F4Q H8 . 34276 1
89 . 1 1 5 5 F4Q H8' H 1 1.205 0.003 . 1 . . . . A 5 F4Q H8' . 34276 1
90 . 1 1 5 5 F4Q H8'' H 1 1.829 0.003 . 1 . . . . A 5 F4Q H8'' . 34276 1
91 . 1 1 5 5 F4Q H21 H 1 8.429 0.000 . 1 . . . . A 5 F4Q H21 . 34276 1
92 . 1 1 5 5 F4Q H22 H 1 6.048 0.004 . 1 . . . . A 5 F4Q H22 . 34276 1
93 . 1 1 5 5 F4Q C1' C 13 90.887 0.000 . 1 . . . . A 5 F4Q C1' . 34276 1
94 . 1 1 5 5 F4Q C4' C 13 93.149 0.000 . 1 . . . . A 5 F4Q C4' . 34276 1
95 . 1 1 5 5 F4Q C6' C 13 25.433 0.000 . 1 . . . . A 5 F4Q C6' . 34276 1
96 . 1 1 5 5 F4Q C7' C 13 41.698 0.015 . 1 . . . . A 5 F4Q C7' . 34276 1
97 . 1 1 5 5 F4Q C8 C 13 136.318 0.000 . 1 . . . . A 5 F4Q C8 . 34276 1
98 . 1 1 5 5 F4Q C8' C 13 17.203 0.038 . 1 . . . . A 5 F4Q C8' . 34276 1
99 . 1 1 6 6 TCJ H1' H 1 6.045 0.003 . 1 . . . . A 6 TCJ H1' . 34276 1
100 . 1 1 6 6 TCJ H2' H 1 3.000 0.004 . 1 . . . . A 6 TCJ H2' . 34276 1
101 . 1 1 6 6 TCJ H2'' H 1 3.288 0.003 . 1 . . . . A 6 TCJ H2'' . 34276 1
102 . 1 1 6 6 TCJ H4' H 1 4.832 0.001 . 1 . . . . A 6 TCJ H4' . 34276 1
103 . 1 1 6 6 TCJ H6 H 1 7.310 0.001 . 1 . . . . A 6 TCJ H6 . 34276 1
104 . 1 1 6 6 TCJ H6' H 1 1.892 0.004 . 1 . . . . A 6 TCJ H6' . 34276 1
105 . 1 1 6 6 TCJ H7' H 1 1.863 0.005 . 1 . . . . A 6 TCJ H7' . 34276 1
106 . 1 1 6 6 TCJ H7'' H 1 2.667 0.002 . 1 . . . . A 6 TCJ H7'' . 34276 1
107 . 1 1 6 6 TCJ H8' H 1 1.303 0.002 . 1 . . . . A 6 TCJ H8' . 34276 1
108 . 1 1 6 6 TCJ H8'' H 1 1.796 0.004 . 1 . . . . A 6 TCJ H8'' . 34276 1
109 . 1 1 6 6 TCJ H41 H 1 9.041 0.003 . 1 . . . . A 6 TCJ H41 . 34276 1
110 . 1 1 6 6 TCJ H42 H 1 6.767 0.001 . 1 . . . . A 6 TCJ H42 . 34276 1
111 . 1 1 6 6 TCJ H71 H 1 1.579 0.004 . 1 . . . . A 6 TCJ H71 . 34276 1
112 . 1 1 6 6 TCJ H72 H 1 1.579 0.004 . 1 . . . . A 6 TCJ H72 . 34276 1
113 . 1 1 6 6 TCJ H73 H 1 1.579 0.004 . 1 . . . . A 6 TCJ H73 . 34276 1
114 . 1 1 6 6 TCJ C1' C 13 90.832 0.000 . 1 . . . . A 6 TCJ C1' . 34276 1
115 . 1 1 6 6 TCJ C4' C 13 92.797 0.000 . 1 . . . . A 6 TCJ C4' . 34276 1
116 . 1 1 6 6 TCJ C6 C 13 137.867 0.000 . 1 . . . . A 6 TCJ C6 . 34276 1
117 . 1 1 6 6 TCJ C6' C 13 24.818 0.000 . 1 . . . . A 6 TCJ C6' . 34276 1
118 . 1 1 6 6 TCJ C7' C 13 41.337 0.030 . 1 . . . . A 6 TCJ C7' . 34276 1
119 . 1 1 6 6 TCJ C8' C 13 16.994 0.007 . 1 . . . . A 6 TCJ C8' . 34276 1
120 . 1 1 7 7 EAN H1' H 1 6.104 0.002 . 1 . . . . A 7 EAN H1' . 34276 1
121 . 1 1 7 7 EAN H2' H 1 3.143 0.004 . 1 . . . . A 7 EAN H2' . 34276 1
122 . 1 1 7 7 EAN H2'' H 1 3.351 0.005 . 1 . . . . A 7 EAN H2'' . 34276 1
123 . 1 1 7 7 EAN H3 H 1 14.226 0.015 . 1 . . . . A 7 EAN H3 . 34276 1
124 . 1 1 7 7 EAN H4' H 1 4.867 0.001 . 1 . . . . A 7 EAN H4' . 34276 1
125 . 1 1 7 7 EAN H6 H 1 7.634 0.002 . 1 . . . . A 7 EAN H6 . 34276 1
126 . 1 1 7 7 EAN H6' H 1 1.990 0.003 . 1 . . . . A 7 EAN H6' . 34276 1
127 . 1 1 7 7 EAN H7' H 1 1.975 0.004 . 1 . . . . A 7 EAN H7' . 34276 1
128 . 1 1 7 7 EAN H7'' H 1 2.770 0.002 . 1 . . . . A 7 EAN H7'' . 34276 1
129 . 1 1 7 7 EAN H8' H 1 1.346 0.002 . 1 . . . . A 7 EAN H8' . 34276 1
130 . 1 1 7 7 EAN H8'' H 1 1.858 0.001 . 1 . . . . A 7 EAN H8'' . 34276 1
131 . 1 1 7 7 EAN H71 H 1 1.697 0.001 . 1 . . . . A 7 EAN H71 . 34276 1
132 . 1 1 7 7 EAN H72 H 1 1.697 0.001 . 1 . . . . A 7 EAN H72 . 34276 1
133 . 1 1 7 7 EAN H73 H 1 1.697 0.001 . 1 . . . . A 7 EAN H73 . 34276 1
134 . 1 1 7 7 EAN C1' C 13 91.963 0.000 . 1 . . . . A 7 EAN C1' . 34276 1
135 . 1 1 7 7 EAN C4' C 13 93.570 0.000 . 1 . . . . A 7 EAN C4' . 34276 1
136 . 1 1 7 7 EAN C6 C 13 137.856 0.000 . 1 . . . . A 7 EAN C6 . 34276 1
137 . 1 1 7 7 EAN C6' C 13 25.686 0.000 . 1 . . . . A 7 EAN C6' . 34276 1
138 . 1 1 7 7 EAN C7' C 13 41.862 0.015 . 1 . . . . A 7 EAN C7' . 34276 1
139 . 1 1 7 7 EAN C8' C 13 17.226 0.000 . 1 . . . . A 7 EAN C8' . 34276 1
140 . 1 1 8 8 EAN H1' H 1 6.091 0.002 . 1 . . . . A 8 EAN H1' . 34276 1
141 . 1 1 8 8 EAN H2' H 1 3.002 0.005 . 1 . . . . A 8 EAN H2' . 34276 1
142 . 1 1 8 8 EAN H2'' H 1 3.377 0.003 . 1 . . . . A 8 EAN H2'' . 34276 1
143 . 1 1 8 8 EAN H3 H 1 13.480 0.007 . 1 . . . . A 8 EAN H3 . 34276 1
144 . 1 1 8 8 EAN H4' H 1 4.938 0.004 . 1 . . . . A 8 EAN H4' . 34276 1
145 . 1 1 8 8 EAN H6 H 1 7.733 0.001 . 1 . . . . A 8 EAN H6 . 34276 1
146 . 1 1 8 8 EAN H6' H 1 2.019 0.003 . 1 . . . . A 8 EAN H6' . 34276 1
147 . 1 1 8 8 EAN H7' H 1 2.113 0.003 . 1 . . . . A 8 EAN H7' . 34276 1
148 . 1 1 8 8 EAN H7'' H 1 2.741 0.007 . 1 . . . . A 8 EAN H7'' . 34276 1
149 . 1 1 8 8 EAN H8' H 1 1.361 0.003 . 1 . . . . A 8 EAN H8' . 34276 1
150 . 1 1 8 8 EAN H8'' H 1 1.839 0.001 . 1 . . . . A 8 EAN H8'' . 34276 1
151 . 1 1 8 8 EAN H71 H 1 1.875 0.002 . 1 . . . . A 8 EAN H71 . 34276 1
152 . 1 1 8 8 EAN H72 H 1 1.875 0.002 . 1 . . . . A 8 EAN H72 . 34276 1
153 . 1 1 8 8 EAN H73 H 1 1.875 0.002 . 1 . . . . A 8 EAN H73 . 34276 1
154 . 1 1 8 8 EAN C1' C 13 91.924 0.000 . 1 . . . . A 8 EAN C1' . 34276 1
155 . 1 1 8 8 EAN C4' C 13 93.419 0.000 . 1 . . . . A 8 EAN C4' . 34276 1
156 . 1 1 8 8 EAN C6 C 13 137.626 0.000 . 1 . . . . A 8 EAN C6 . 34276 1
157 . 1 1 8 8 EAN C6' C 13 25.476 0.000 . 1 . . . . A 8 EAN C6' . 34276 1
158 . 1 1 8 8 EAN C7' C 13 40.576 0.005 . 1 . . . . A 8 EAN C7' . 34276 1
159 . 1 1 8 8 EAN C8' C 13 17.301 0.015 . 1 . . . . A 8 EAN C8' . 34276 1
160 . 1 1 9 9 TCY H1' H 1 6.557 0.002 . 1 . . . . A 9 TCY H1' . 34276 1
161 . 1 1 9 9 TCY H2 H 1 7.395 0.012 . 1 . . . . A 9 TCY H2 . 34276 1
162 . 1 1 9 9 TCY H2' H 1 3.285 0.009 . 1 . . . . A 9 TCY H2' . 34276 1
163 . 1 1 9 9 TCY H2'A H 1 3.469 0.003 . 1 . . . . A 9 TCY H2'A . 34276 1
164 . 1 1 9 9 TCY H4' H 1 4.711 0.001 . 1 . . . . A 9 TCY H4' . 34276 1
165 . 1 1 9 9 TCY H6' H 1 1.912 0.004 . 1 . . . . A 9 TCY H6' . 34276 1
166 . 1 1 9 9 TCY H7' H 1 1.587 0.004 . 1 . . . . A 9 TCY H7' . 34276 1
167 . 1 1 9 9 TCY H7'A H 1 2.728 0.002 . 1 . . . . A 9 TCY H7'A . 34276 1
168 . 1 1 9 9 TCY H8 H 1 8.149 0.001 . 1 . . . . A 9 TCY H8 . 34276 1
169 . 1 1 9 9 TCY H8' H 1 1.272 0.002 . 1 . . . . A 9 TCY H8' . 34276 1
170 . 1 1 9 9 TCY H8'A H 1 1.867 0.003 . 1 . . . . A 9 TCY H8'A . 34276 1
171 . 1 1 9 9 TCY C1' C 13 91.137 0.000 . 1 . . . . A 9 TCY C1' . 34276 1
172 . 1 1 9 9 TCY C2 C 13 153.082 0.000 . 1 . . . . A 9 TCY C2 . 34276 1
173 . 1 1 9 9 TCY C4' C 13 92.624 0.000 . 1 . . . . A 9 TCY C4' . 34276 1
174 . 1 1 9 9 TCY C6' C 13 25.641 0.000 . 1 . . . . A 9 TCY C6' . 34276 1
175 . 1 1 9 9 TCY C7' C 13 42.332 0.019 . 1 . . . . A 9 TCY C7' . 34276 1
176 . 1 1 9 9 TCY C8 C 13 139.771 0.000 . 1 . . . . A 9 TCY C8 . 34276 1
177 . 1 1 9 9 TCY C8' C 13 17.295 0.006 . 1 . . . . A 9 TCY C8' . 34276 1
178 . 1 1 9 9 TCY HN6 H 1 8.194 0.010 . 1 . . . . A 9 TCY HN6 . 34276 1
179 . 1 1 9 9 TCY HN6A H 1 6.385 0.001 . 1 . . . . A 9 TCY HN6A . 34276 1
180 . 1 1 10 10 TCJ H1' H 1 5.845 0.005 . 1 . . . . A 10 TCJ H1' . 34276 1
181 . 1 1 10 10 TCJ H2' H 1 2.449 0.002 . 1 . . . . A 10 TCJ H2' . 34276 1
182 . 1 1 10 10 TCJ H2'' H 1 2.808 0.001 . 1 . . . . A 10 TCJ H2'' . 34276 1
183 . 1 1 10 10 TCJ H4' H 1 4.713 0.002 . 1 . . . . A 10 TCJ H4' . 34276 1
184 . 1 1 10 10 TCJ H6 H 1 7.197 0.003 . 1 . . . . A 10 TCJ H6 . 34276 1
185 . 1 1 10 10 TCJ H6' H 1 1.834 0.003 . 1 . . . . A 10 TCJ H6' . 34276 1
186 . 1 1 10 10 TCJ H7' H 1 1.864 0.004 . 1 . . . . A 10 TCJ H7' . 34276 1
187 . 1 1 10 10 TCJ H7'' H 1 1.930 0.004 . 1 . . . . A 10 TCJ H7'' . 34276 1
188 . 1 1 10 10 TCJ H8' H 1 1.182 0.002 . 1 . . . . A 10 TCJ H8' . 34276 1
189 . 1 1 10 10 TCJ H8'' H 1 1.732 0.002 . 1 . . . . A 10 TCJ H8'' . 34276 1
190 . 1 1 10 10 TCJ H41 H 1 8.665 0.004 . 1 . . . . A 10 TCJ H41 . 34276 1
191 . 1 1 10 10 TCJ H42 H 1 6.857 0.003 . 1 . . . . A 10 TCJ H42 . 34276 1
192 . 1 1 10 10 TCJ H71 H 1 1.554 0.004 . 1 . . . . A 10 TCJ H71 . 34276 1
193 . 1 1 10 10 TCJ H72 H 1 1.554 0.004 . 1 . . . . A 10 TCJ H72 . 34276 1
194 . 1 1 10 10 TCJ H73 H 1 1.554 0.004 . 1 . . . . A 10 TCJ H73 . 34276 1
195 . 1 1 10 10 TCJ C1' C 13 90.971 0.000 . 1 . . . . A 10 TCJ C1' . 34276 1
196 . 1 1 10 10 TCJ C2' C 13 49.954 0.018 . 1 . . . . A 10 TCJ C2' . 34276 1
197 . 1 1 10 10 TCJ C4' C 13 91.883 0.000 . 1 . . . . A 10 TCJ C4' . 34276 1
198 . 1 1 10 10 TCJ C6 C 13 137.923 0.000 . 1 . . . . A 10 TCJ C6 . 34276 1
199 . 1 1 10 10 TCJ C6' C 13 25.504 0.000 . 1 . . . . A 10 TCJ C6' . 34276 1
200 . 1 1 10 10 TCJ C7' C 13 42.392 0.000 . 1 . . . . A 10 TCJ C7' . 34276 1
201 . 1 1 10 10 TCJ C8' C 13 17.157 0.084 . 1 . . . . A 10 TCJ C8' . 34276 1
202 . 2 2 1 1 G H1 H 1 13.275 0.011 . 1 . . . . B 11 G H1 . 34276 1
203 . 2 2 1 1 G H1' H 1 5.893 0.014 . 1 . . . . B 11 G H1' . 34276 1
204 . 2 2 1 1 G H2' H 1 5.037 0.001 . 1 . . . . B 11 G H2' . 34276 1
205 . 2 2 1 1 G H3' H 1 4.674 0.011 . 1 . . . . B 11 G H3' . 34276 1
206 . 2 2 1 1 G H4' H 1 4.524 0.018 . 1 . . . . B 11 G H4' . 34276 1
207 . 2 2 1 1 G H5' H 1 4.081 0.010 . 1 . . . . B 11 G H5' . 34276 1
208 . 2 2 1 1 G H5'' H 1 4.200 0.016 . 1 . . . . B 11 G H5'' . 34276 1
209 . 2 2 1 1 G H8 H 1 8.214 0.017 . 1 . . . . B 11 G H8 . 34276 1
210 . 2 2 1 1 G C1' C 13 93.254 0.000 . 1 . . . . B 11 G C1' . 34276 1
211 . 2 2 1 1 G C2' C 13 74.968 0.000 . 1 . . . . B 11 G C2' . 34276 1
212 . 2 2 1 1 G C3' C 13 72.666 0.000 . 1 . . . . B 11 G C3' . 34276 1
213 . 2 2 1 1 G C4' C 13 84.734 0.000 . 1 . . . . B 11 G C4' . 34276 1
214 . 2 2 1 1 G C5' C 13 62.344 0.015 . 1 . . . . B 11 G C5' . 34276 1
215 . 2 2 1 1 G C8 C 13 138.978 0.000 . 1 . . . . B 11 G C8 . 34276 1
216 . 2 2 2 2 U H1' H 1 5.833 0.009 . 1 . . . . B 12 U H1' . 34276 1
217 . 2 2 2 2 U H2' H 1 4.677 0.002 . 1 . . . . B 12 U H2' . 34276 1
218 . 2 2 2 2 U H3 H 1 13.615 0.024 . 1 . . . . B 12 U H3 . 34276 1
219 . 2 2 2 2 U H3' H 1 4.856 0.003 . 1 . . . . B 12 U H3' . 34276 1
220 . 2 2 2 2 U H4' H 1 4.726 0.009 . 1 . . . . B 12 U H4' . 34276 1
221 . 2 2 2 2 U H5 H 1 5.345 0.012 . 1 . . . . B 12 U H5 . 34276 1
222 . 2 2 2 2 U H5' H 1 4.383 0.003 . 1 . . . . B 12 U H5' . 34276 1
223 . 2 2 2 2 U H5'' H 1 4.792 0.008 . 1 . . . . B 12 U H5'' . 34276 1
224 . 2 2 2 2 U H6 H 1 8.084 0.004 . 1 . . . . B 12 U H6 . 34276 1
225 . 2 2 2 2 U C1' C 13 93.948 0.000 . 1 . . . . B 12 U C1' . 34276 1
226 . 2 2 2 2 U C2' C 13 74.005 0.000 . 1 . . . . B 12 U C2' . 34276 1
227 . 2 2 2 2 U C3' C 13 72.633 0.000 . 1 . . . . B 12 U C3' . 34276 1
228 . 2 2 2 2 U C5 C 13 102.410 0.000 . 1 . . . . B 12 U C5 . 34276 1
229 . 2 2 2 2 U C5' C 13 64.871 0.021 . 1 . . . . B 12 U C5' . 34276 1
230 . 2 2 2 2 U C6 C 13 142.219 0.000 . 1 . . . . B 12 U C6 . 34276 1
231 . 2 2 3 3 A H1' H 1 6.165 0.003 . 1 . . . . B 13 A H1' . 34276 1
232 . 2 2 3 3 A H2 H 1 6.448 0.008 . 1 . . . . B 13 A H2 . 34276 1
233 . 2 2 3 3 A H3' H 1 4.794 0.005 . 1 . . . . B 13 A H3' . 34276 1
234 . 2 2 3 3 A H4' H 1 5.013 0.005 . 1 . . . . B 13 A H4' . 34276 1
235 . 2 2 3 3 A H5' H 1 4.438 0.003 . 1 . . . . B 13 A H5' . 34276 1
236 . 2 2 3 3 A H5'' H 1 4.837 0.001 . 1 . . . . B 13 A H5'' . 34276 1
237 . 2 2 3 3 A H8 H 1 8.392 0.002 . 1 . . . . B 13 A H8 . 34276 1
238 . 2 2 3 3 A H61 H 1 8.037 0.004 . 1 . . . . B 13 A H61 . 34276 1
239 . 2 2 3 3 A H62 H 1 6.813 0.003 . 1 . . . . B 13 A H62 . 34276 1
240 . 2 2 3 3 A C1' C 13 92.944 0.000 . 1 . . . . B 13 A C1' . 34276 1
241 . 2 2 3 3 A C2 C 13 151.905 0.000 . 1 . . . . B 13 A C2 . 34276 1
242 . 2 2 3 3 A C3' C 13 71.882 0.000 . 1 . . . . B 13 A C3' . 34276 1
243 . 2 2 3 3 A C4' C 13 82.075 0.000 . 1 . . . . B 13 A C4' . 34276 1
244 . 2 2 3 3 A C5' C 13 65.138 0.028 . 1 . . . . B 13 A C5' . 34276 1
245 . 2 2 3 3 A C8 C 13 140.009 0.000 . 1 . . . . B 13 A C8 . 34276 1
246 . 2 2 4 4 A H1' H 1 6.036 0.002 . 1 . . . . B 14 A H1' . 34276 1
247 . 2 2 4 4 A H2 H 1 7.498 0.009 . 1 . . . . B 14 A H2 . 34276 1
248 . 2 2 4 4 A H2' H 1 4.908 0.004 . 1 . . . . B 14 A H2' . 34276 1
249 . 2 2 4 4 A H3' H 1 4.632 0.000 . 1 . . . . B 14 A H3' . 34276 1
250 . 2 2 4 4 A H4' H 1 4.790 0.000 . 1 . . . . B 14 A H4' . 34276 1
251 . 2 2 4 4 A H5' H 1 4.375 0.004 . 1 . . . . B 14 A H5' . 34276 1
252 . 2 2 4 4 A H5'' H 1 4.841 0.003 . 1 . . . . B 14 A H5'' . 34276 1
253 . 2 2 4 4 A H8 H 1 7.968 0.010 . 1 . . . . B 14 A H8 . 34276 1
254 . 2 2 4 4 A H61 H 1 8.159 0.008 . 1 . . . . B 14 A H61 . 34276 1
255 . 2 2 4 4 A H62 H 1 6.800 0.009 . 1 . . . . B 14 A H62 . 34276 1
256 . 2 2 4 4 A C1' C 13 92.727 0.000 . 1 . . . . B 14 A C1' . 34276 1
257 . 2 2 4 4 A C2 C 13 153.324 0.000 . 1 . . . . B 14 A C2 . 34276 1
258 . 2 2 4 4 A C2' C 13 75.457 0.000 . 1 . . . . B 14 A C2' . 34276 1
259 . 2 2 4 4 A C3' C 13 71.871 0.000 . 1 . . . . B 14 A C3' . 34276 1
260 . 2 2 4 4 A C4' C 13 82.191 0.000 . 1 . . . . B 14 A C4' . 34276 1
261 . 2 2 4 4 A C5' C 13 64.797 0.039 . 1 . . . . B 14 A C5' . 34276 1
262 . 2 2 5 5 G H1 H 1 13.627 0.013 . 1 . . . . B 15 G H1 . 34276 1
263 . 2 2 5 5 G H1' H 1 5.830 0.002 . 1 . . . . B 15 G H1' . 34276 1
264 . 2 2 5 5 G H2' H 1 4.673 0.005 . 1 . . . . B 15 G H2' . 34276 1
265 . 2 2 5 5 G H3' H 1 4.892 0.006 . 1 . . . . B 15 G H3' . 34276 1
266 . 2 2 5 5 G H4' H 1 4.732 0.003 . 1 . . . . B 15 G H4' . 34276 1
267 . 2 2 5 5 G H5' H 1 4.284 0.002 . 1 . . . . B 15 G H5' . 34276 1
268 . 2 2 5 5 G H5'' H 1 4.766 0.003 . 1 . . . . B 15 G H5'' . 34276 1
269 . 2 2 5 5 G H8 H 1 7.495 0.010 . 1 . . . . B 15 G H8 . 34276 1
270 . 2 2 5 5 G C1' C 13 92.941 0.000 . 1 . . . . B 15 G C1' . 34276 1
271 . 2 2 5 5 G C2' C 13 73.790 0.000 . 1 . . . . B 15 G C2' . 34276 1
272 . 2 2 5 5 G C3' C 13 72.898 0.000 . 1 . . . . B 15 G C3' . 34276 1
273 . 2 2 5 5 G C4' C 13 82.061 0.000 . 1 . . . . B 15 G C4' . 34276 1
274 . 2 2 5 5 G C5' C 13 64.900 0.040 . 1 . . . . B 15 G C5' . 34276 1
275 . 2 2 5 5 G C8 C 13 135.784 0.000 . 1 . . . . B 15 G C8 . 34276 1
276 . 2 2 6 6 C H1' H 1 5.754 0.001 . 1 . . . . B 16 C H1' . 34276 1
277 . 2 2 6 6 C H2' H 1 4.648 0.002 . 1 . . . . B 16 C H2' . 34276 1
278 . 2 2 6 6 C H3' H 1 4.713 0.003 . 1 . . . . B 16 C H3' . 34276 1
279 . 2 2 6 6 C H5 H 1 5.276 0.002 . 1 . . . . B 16 C H5 . 34276 1
280 . 2 2 6 6 C H5' H 1 4.845 0.010 . 1 . . . . B 16 C H5' . 34276 1
281 . 2 2 6 6 C H5'' H 1 4.270 0.003 . 1 . . . . B 16 C H5'' . 34276 1
282 . 2 2 6 6 C H6 H 1 7.846 0.003 . 1 . . . . B 16 C H6 . 34276 1
283 . 2 2 6 6 C H41 H 1 8.502 0.007 . 1 . . . . B 16 C H41 . 34276 1
284 . 2 2 6 6 C H42 H 1 7.034 0.008 . 1 . . . . B 16 C H42 . 34276 1
285 . 2 2 6 6 C C1' C 13 94.107 0.000 . 1 . . . . B 16 C C1' . 34276 1
286 . 2 2 6 6 C C2' C 13 75.135 0.000 . 1 . . . . B 16 C C2' . 34276 1
287 . 2 2 6 6 C C5 C 13 96.553 0.000 . 1 . . . . B 16 C C5 . 34276 1
288 . 2 2 6 6 C C5' C 13 64.209 0.002 . 1 . . . . B 16 C C5' . 34276 1
289 . 2 2 6 6 C C6 C 13 141.074 0.000 . 1 . . . . B 16 C C6 . 34276 1
290 . 2 2 7 7 C H1' H 1 5.708 0.004 . 1 . . . . B 17 C H1' . 34276 1
291 . 2 2 7 7 C H2' H 1 4.885 0.004 . 1 . . . . B 17 C H2' . 34276 1
292 . 2 2 7 7 C H3' H 1 4.632 0.003 . 1 . . . . B 17 C H3' . 34276 1
293 . 2 2 7 7 C H4' H 1 4.787 0.004 . 1 . . . . B 17 C H4' . 34276 1
294 . 2 2 7 7 C H5 H 1 5.656 0.003 . 1 . . . . B 17 C H5 . 34276 1
295 . 2 2 7 7 C H5' H 1 4.296 0.007 . 1 . . . . B 17 C H5' . 34276 1
296 . 2 2 7 7 C H5'' H 1 4.813 0.003 . 1 . . . . B 17 C H5'' . 34276 1
297 . 2 2 7 7 C H6 H 1 7.990 0.002 . 1 . . . . B 17 C H6 . 34276 1
298 . 2 2 7 7 C H41 H 1 8.508 0.005 . 1 . . . . B 17 C H41 . 34276 1
299 . 2 2 7 7 C H42 H 1 7.024 0.007 . 1 . . . . B 17 C H42 . 34276 1
300 . 2 2 7 7 C C1' C 13 93.894 0.000 . 1 . . . . B 17 C C1' . 34276 1
301 . 2 2 7 7 C C2' C 13 74.937 0.000 . 1 . . . . B 17 C C2' . 34276 1
302 . 2 2 7 7 C C3' C 13 71.871 0.000 . 1 . . . . B 17 C C3' . 34276 1
303 . 2 2 7 7 C C4' C 13 82.191 0.000 . 1 . . . . B 17 C C4' . 34276 1
304 . 2 2 7 7 C C5 C 13 97.632 0.000 . 1 . . . . B 17 C C5 . 34276 1
305 . 2 2 7 7 C C5' C 13 64.114 0.019 . 1 . . . . B 17 C C5' . 34276 1
306 . 2 2 7 7 C C6 C 13 140.769 0.000 . 1 . . . . B 17 C C6 . 34276 1
307 . 2 2 8 8 G H1 H 1 12.501 0.011 . 1 . . . . B 18 G H1 . 34276 1
308 . 2 2 8 8 G H1' H 1 5.871 0.003 . 1 . . . . B 18 G H1' . 34276 1
309 . 2 2 8 8 G H2' H 1 4.781 0.001 . 1 . . . . B 18 G H2' . 34276 1
310 . 2 2 8 8 G H3' H 1 4.838 0.003 . 1 . . . . B 18 G H3' . 34276 1
311 . 2 2 8 8 G H4' H 1 4.681 0.001 . 1 . . . . B 18 G H4' . 34276 1
312 . 2 2 8 8 G H5' H 1 4.879 0.003 . 1 . . . . B 18 G H5' . 34276 1
313 . 2 2 8 8 G H5'' H 1 4.309 0.004 . 1 . . . . B 18 G H5'' . 34276 1
314 . 2 2 8 8 G H8 H 1 7.723 0.004 . 1 . . . . B 18 G H8 . 34276 1
315 . 2 2 8 8 G C1' C 13 93.163 0.000 . 1 . . . . B 18 G C1' . 34276 1
316 . 2 2 8 8 G C2' C 13 75.078 0.000 . 1 . . . . B 18 G C2' . 34276 1
317 . 2 2 8 8 G C3' C 13 72.562 0.000 . 1 . . . . B 18 G C3' . 34276 1
318 . 2 2 8 8 G C4' C 13 82.029 0.000 . 1 . . . . B 18 G C4' . 34276 1
319 . 2 2 8 8 G C5' C 13 64.304 0.013 . 1 . . . . B 18 G C5' . 34276 1
320 . 2 2 8 8 G C8 C 13 136.299 0.000 . 1 . . . . B 18 G C8 . 34276 1
321 . 2 2 9 9 A H1' H 1 6.131 0.003 . 1 . . . . B 19 A H1' . 34276 1
322 . 2 2 9 9 A H2 H 1 7.704 0.004 . 1 . . . . B 19 A H2 . 34276 1
323 . 2 2 9 9 A H2' H 1 4.586 0.002 . 1 . . . . B 19 A H2' . 34276 1
324 . 2 2 9 9 A H3' H 1 4.920 0.004 . 1 . . . . B 19 A H3' . 34276 1
325 . 2 2 9 9 A H4' H 1 4.656 0.004 . 1 . . . . B 19 A H4' . 34276 1
326 . 2 2 9 9 A H5' H 1 4.217 0.003 . 1 . . . . B 19 A H5' . 34276 1
327 . 2 2 9 9 A H5'' H 1 4.728 0.006 . 1 . . . . B 19 A H5'' . 34276 1
328 . 2 2 9 9 A H8 H 1 7.925 0.005 . 1 . . . . B 19 A H8 . 34276 1
329 . 2 2 9 9 A H61 H 1 8.595 0.000 . 1 . . . . B 19 A H61 . 34276 1
330 . 2 2 9 9 A H62 H 1 7.045 0.000 . 1 . . . . B 19 A H62 . 34276 1
331 . 2 2 9 9 A C1' C 13 93.328 0.000 . 1 . . . . B 19 A C1' . 34276 1
332 . 2 2 9 9 A C2 C 13 153.570 0.000 . 1 . . . . B 19 A C2 . 34276 1
333 . 2 2 9 9 A C2' C 13 75.564 0.000 . 1 . . . . B 19 A C2' . 34276 1
334 . 2 2 9 9 A C3' C 13 72.369 0.000 . 1 . . . . B 19 A C3' . 34276 1
335 . 2 2 9 9 A C4' C 13 82.247 0.000 . 1 . . . . B 19 A C4' . 34276 1
336 . 2 2 9 9 A C5' C 13 65.677 0.017 . 1 . . . . B 19 A C5' . 34276 1
337 . 2 2 9 9 A C8 C 13 139.360 0.000 . 1 . . . . B 19 A C8 . 34276 1
338 . 2 2 10 10 G H1' H 1 6.051 0.002 . 1 . . . . B 20 G H1' . 34276 1
339 . 2 2 10 10 G H2' H 1 4.238 0.144 . 1 . . . . B 20 G H2' . 34276 1
340 . 2 2 10 10 G H3' H 1 4.472 0.003 . 1 . . . . B 20 G H3' . 34276 1
341 . 2 2 10 10 G H4' H 1 4.725 0.003 . 1 . . . . B 20 G H4' . 34276 1
342 . 2 2 10 10 G H5' H 1 4.434 0.002 . 1 . . . . B 20 G H5' . 34276 1
343 . 2 2 10 10 G H5'' H 1 4.471 0.003 . 1 . . . . B 20 G H5'' . 34276 1
344 . 2 2 10 10 G H8 H 1 7.632 0.004 . 1 . . . . B 20 G H8 . 34276 1
345 . 2 2 10 10 G C2' C 13 76.441 1.499 . 1 . . . . B 20 G C2' . 34276 1
346 . 2 2 10 10 G C3' C 13 70.580 0.000 . 1 . . . . B 20 G C3' . 34276 1
347 . 2 2 10 10 G C4' C 13 77.941 0.000 . 1 . . . . B 20 G C4' . 34276 1
348 . 2 2 10 10 G C5' C 13 70.572 0.006 . 1 . . . . B 20 G C5' . 34276 1
349 . 2 2 10 10 G C8 C 13 137.224 0.000 . 1 . . . . B 20 G C8 . 34276 1
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