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 53977
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'HCN 298 K pH 6.5'
_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' . . . 53977 1
2 '2D 1H-13C HSQC aromatic' . . . 53977 1
3 '2D 1H-13C HSQC aliphatic' . . . 53977 1
4 '2D HCN aromatic' . . . 53977 1
5 '2D HCN aliphatic' . . . 53977 1
6 '2D 1H-15N HSQC' . . . 53977 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 53977 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 G H1' H 1 5.789098002 0.0435634099 . 1 . . . . . 1 G H1' . 53977 1
2 . 1 . 1 1 1 G H8 H 1 8.096422887 0.04361213927 . 1 . . . . . 1 G H8 . 53977 1
3 . 1 . 1 1 1 G C1' C 13 90.98742203 0 . 1 . . . . . 1 G C1' . 53977 1
4 . 1 . 1 1 1 G C8 C 13 139.0537604 0 . 1 . . . . . 1 G C8 . 53977 1
5 . 1 . 1 1 1 G N9 N 15 167.9896973 0.02001961684 . 1 . . . . . 1 G N9 . 53977 1
6 . 1 . 1 2 2 G H1 H 1 13.34940979 0.001102854638 . 1 . . . . . 2 G H1 . 53977 1
7 . 1 . 1 2 2 G H1' H 1 5.885673227 0.0452396518 . 1 . . . . . 2 G H1' . 53977 1
8 . 1 . 1 2 2 G H8 H 1 7.618840791 0.03575233204 . 1 . . . . . 2 G H8 . 53977 1
9 . 1 . 1 2 2 G C1' C 13 92.97153036 0 . 1 . . . . . 2 G C1' . 53977 1
10 . 1 . 1 2 2 G C8 C 13 136.8877994 0 . 1 . . . . . 2 G C8 . 53977 1
11 . 1 . 1 2 2 G N1 N 15 148.4295148 0 . 1 . . . . . 2 G N1 . 53977 1
12 . 1 . 1 2 2 G N9 N 15 169.1308154 0 . 1 . . . . . 2 G N9 . 53977 1
13 . 1 . 1 3 3 C H1' H 1 5.530843398 0.04399375607 . 1 . . . . . 3 C H1' . 53977 1
14 . 1 . 1 3 3 C H5 H 1 5.240256034 0.0004764768126 . 1 . . . . . 3 C H5 . 53977 1
15 . 1 . 1 3 3 C H6 H 1 7.609487794 0.03454581327 . 1 . . . . . 3 C H6 . 53977 1
16 . 1 . 1 3 3 C H41 H 1 6.723886997 0.001550845602 . 1 . . . . . 3 C H41 . 53977 1
17 . 1 . 1 3 3 C H42 H 1 8.494912566 0.001731228989 . 1 . . . . . 3 C H42 . 53977 1
18 . 1 . 1 3 3 C C1' C 13 93.74656579 0 . 1 . . . . . 3 C C1' . 53977 1
19 . 1 . 1 3 3 C C6 C 13 140.467271 0 . 1 . . . . . 3 C C6 . 53977 1
20 . 1 . 1 3 3 C N1 N 15 150.1415619 0.0106567465 . 1 . . . . . 3 C N1 . 53977 1
21 . 1 . 1 4 4 G H1 H 1 12.87675131 0.0009651930584 . 1 . . . . . 4 G H1 . 53977 1
22 . 1 . 1 4 4 G H1' H 1 5.713774861 0.04135004694 . 1 . . . . . 4 G H1' . 53977 1
23 . 1 . 1 4 4 G H8 H 1 7.542921505 0.03415398523 . 1 . . . . . 4 G H8 . 53977 1
24 . 1 . 1 4 4 G C1' C 13 93.06400885 0 . 1 . . . . . 4 G C1' . 53977 1
25 . 1 . 1 4 4 G C8 C 13 136.1233794 0 . 1 . . . . . 4 G C8 . 53977 1
26 . 1 . 1 4 4 G N1 N 15 147.8271942 0 . 1 . . . . . 4 G N1 . 53977 1
27 . 1 . 1 4 4 G N9 N 15 168.7340546 0.03002929688 . 1 . . . . . 4 G N9 . 53977 1
28 . 1 . 1 5 5 C H1' H 1 5.470910634 0.04255287502 . 1 . . . . . 5 C H1' . 53977 1
29 . 1 . 1 5 5 C H5 H 1 5.163386885 0.003284365438 . 1 . . . . . 5 C H5 . 53977 1
30 . 1 . 1 5 5 C H6 H 1 7.527191365 0.03458592947 . 1 . . . . . 5 C H6 . 53977 1
31 . 1 . 1 5 5 C H41 H 1 6.883855995 0.0005361397741 . 1 . . . . . 5 C H41 . 53977 1
32 . 1 . 1 5 5 C H42 H 1 8.402893924 0.0007697178405 . 1 . . . . . 5 C H42 . 53977 1
33 . 1 . 1 5 5 C C1' C 13 93.86032764 0 . 1 . . . . . 5 C C1' . 53977 1
34 . 1 . 1 5 5 C C6 C 13 140.8067588 0 . 1 . . . . . 5 C C6 . 53977 1
35 . 1 . 1 5 5 C N1 N 15 151.2261284 0.007149536003 . 1 . . . . . 5 C N1 . 53977 1
36 . 1 . 1 5 5 C N4 N 15 99.44241443 0.004878571651 . 1 . . . . . 5 C N4 . 53977 1
37 . 1 . 1 6 6 U H1' H 1 5.5805434 0.0406382128 . 1 . . . . . 6 U H1' . 53977 1
38 . 1 . 1 6 6 U H3 H 1 11.66768691 0.001265860763 . 1 . . . . . 6 U H3 . 53977 1
39 . 1 . 1 6 6 U H5 H 1 5.651882148 0.002011895074 . 1 . . . . . 6 U H5 . 53977 1
40 . 1 . 1 6 6 U H6 H 1 7.749639338 0.03462092302 . 1 . . . . . 6 U H6 . 53977 1
41 . 1 . 1 6 6 U C1' C 13 94.63077032 0 . 1 . . . . . 6 U C1' . 53977 1
42 . 1 . 1 6 6 U C6 C 13 141.0815998 0 . 1 . . . . . 6 U C6 . 53977 1
43 . 1 . 1 6 6 U N1 N 15 145.9480991 0 . 1 . . . . . 6 U N1 . 53977 1
44 . 1 . 1 6 6 U N3 N 15 157.8851091 0 . 1 . . . . . 6 U N3 . 53977 1
45 . 1 . 1 7 7 U H1' H 1 5.423816728 0.04183780938 . 1 . . . . . 7 U H1' . 53977 1
46 . 1 . 1 7 7 U H3 H 1 11.36990812 0 . 1 . . . . . 7 U H3 . 53977 1
47 . 1 . 1 7 7 U H6 H 1 7.814900314 0.04252300027 . 1 . . . . . 7 U H6 . 53977 1
48 . 1 . 1 7 7 U C1' C 13 93.9180711 0 . 1 . . . . . 7 U C1' . 53977 1
49 . 1 . 1 7 7 U C6 C 13 141.941634 0 . 1 . . . . . 7 U C6 . 53977 1
50 . 1 . 1 7 7 U N1 N 15 145.5677264 0.02001961684 . 1 . . . . . 7 U N1 . 53977 1
51 . 1 . 1 7 7 U N3 N 15 157.2345588 0 . 1 . . . . . 7 U N3 . 53977 1
52 . 1 . 1 8 8 A H1' H 1 5.773910646 0.04213082271 . 1 . . . . . 8 A H1' . 53977 1
53 . 1 . 1 8 8 A H2 H 1 7.786853047 . . 1 . . . . . 8 A H2 . 53977 1
54 . 1 . 1 8 8 A H8 H 1 8.373731215 0.03506527575 . 1 . . . . . 8 A H8 . 53977 1
55 . 1 . 1 8 8 A C1' C 13 90.54687488 0 . 1 . . . . . 8 A C1' . 53977 1
56 . 1 . 1 8 8 A C2 C 13 153.907527 . . 1 . . . . . 8 A C2 . 53977 1
57 . 1 . 1 8 8 A C8 C 13 141.2940562 0 . 1 . . . . . 8 A C8 . 53977 1
58 . 1 . 1 8 8 A N9 N 15 169.4511293 0 . 1 . . . . . 8 A N9 . 53977 1
59 . 1 . 1 9 9 A H1' H 1 5.795555026 0.04361964751 . 1 . . . . . 9 A H1' . 53977 1
60 . 1 . 1 9 9 A H2 H 1 7.899511836 . . 1 . . . . . 9 A H2 . 53977 1
61 . 1 . 1 9 9 A H8 H 1 7.8773001 0.0381416863 . 1 . . . . . 9 A H8 . 53977 1
62 . 1 . 1 9 9 A C1' C 13 93.10649106 0 . 1 . . . . . 9 A C1' . 53977 1
63 . 1 . 1 9 9 A C2 C 13 154.0998703 . . 1 . . . . . 9 A C2 . 53977 1
64 . 1 . 1 9 9 A C8 C 13 140.0620056 0 . 1 . . . . . 9 A C8 . 53977 1
65 . 1 . 1 9 9 A N9 N 15 169.6913647 0 . 1 . . . . . 9 A N9 . 53977 1
66 . 1 . 1 10 10 C H1' H 1 5.643564722 0.0003770071668 . 1 . . . . . 10 C H1' . 53977 1
67 . 1 . 1 10 10 C H5 H 1 5.670680184 0.003301965928 . 1 . . . . . 10 C H5 . 53977 1
68 . 1 . 1 10 10 C H6 H 1 7.440985991 0.04059539258 . 1 . . . . . 10 C H6 . 53977 1
69 . 1 . 1 10 10 C H41 H 1 6.714560071 0.001531022769 . 1 . . . . . 10 C H41 . 53977 1
70 . 1 . 1 10 10 C H42 H 1 8.236720371 0.002074616233 . 1 . . . . . 10 C H42 . 53977 1
71 . 1 . 1 10 10 C C6 C 13 140.0985533 0 . 1 . . . . . 10 C C6 . 53977 1
72 . 1 . 1 10 10 C N1 N 15 149.9119832 . . 1 . . . . . 10 C N1 . 53977 1
73 . 1 . 1 10 10 C N4 N 15 96.58221027 0.001324499477 . 1 . . . . . 10 C N4 . 53977 1
74 . 1 . 1 11 11 G H1 H 1 12.74080833 0.0009442684385 . 1 . . . . . 10A G H1 . 53977 1
75 . 1 . 1 11 11 G H1' H 1 5.61733688 0.04348031338 . 1 . . . . . 10A G H1' . 53977 1
76 . 1 . 1 11 11 G H8 H 1 7.488400153 0.03885628235 . 1 . . . . . 10A G H8 . 53977 1
77 . 1 . 1 11 11 G C1' C 13 92.97528569 0 . 1 . . . . . 10A G C1' . 53977 1
78 . 1 . 1 11 11 G C8 C 13 136.2112745 0 . 1 . . . . . 10A G C8 . 53977 1
79 . 1 . 1 11 11 G N1 N 15 147.1929843 0 . 1 . . . . . 10A G N1 . 53977 1
80 . 1 . 1 11 11 G N9 N 15 169.0106977 0 . 1 . . . . . 10A G N9 . 53977 1
81 . 1 . 1 12 12 C H1' H 1 5.655990334 0.04377432516 . 1 . . . . . 11 C H1' . 53977 1
82 . 1 . 1 12 12 C H5 H 1 5.199549667 0.001128731764 . 1 . . . . . 11 C H5 . 53977 1
83 . 1 . 1 12 12 C H6 H 1 7.421265516 0.0354622699 . 1 . . . . . 11 C H6 . 53977 1
84 . 1 . 1 12 12 C H41 H 1 6.82055938 0.0006079818511 . 1 . . . . . 11 C H41 . 53977 1
85 . 1 . 1 12 12 C H42 H 1 8.238772366 0.001476983994 . 1 . . . . . 11 C H42 . 53977 1
86 . 1 . 1 12 12 C C1' C 13 92.47090784 0 . 1 . . . . . 11 C C1' . 53977 1
87 . 1 . 1 12 12 C C6 C 13 141.0073861 0 . 1 . . . . . 11 C C6 . 53977 1
88 . 1 . 1 12 12 C N1 N 15 149.6317086 0 . 1 . . . . . 11 C N1 . 53977 1
89 . 1 . 1 12 12 C N4 N 15 98.61345136 0.009976839966 . 1 . . . . . 11 C N4 . 53977 1
90 . 1 . 1 13 13 U H1' H 1 5.815413794 0.04500674867 . 1 . . . . . 12 U H1' . 53977 1
91 . 1 . 1 13 13 U H5 H 1 5.592124928 0 . 1 . . . . . 12 U H5 . 53977 1
92 . 1 . 1 13 13 U H6 H 1 7.829193062 0.0364943591 . 1 . . . . . 12 U H6 . 53977 1
93 . 1 . 1 13 13 U C1' C 13 90.64716797 0 . 1 . . . . . 12 U C1' . 53977 1
94 . 1 . 1 13 13 U C6 C 13 143.4973677 0 . 1 . . . . . 12 U C6 . 53977 1
95 . 1 . 1 13 13 U N1 N 15 143.9060982 0 . 1 . . . . . 12 U N1 . 53977 1
96 . 1 . 1 14 14 U H1' H 1 5.489607786 0.04926869266 . 1 . . . . . 13 U H1' . 53977 1
97 . 1 . 1 14 14 U H5 H 1 5.647109584 0.001989946791 . 1 . . . . . 13 U H5 . 53977 1
98 . 1 . 1 14 14 U H6 H 1 7.563785175 0.04434009777 . 1 . . . . . 13 U H6 . 53977 1
99 . 1 . 1 14 14 U C1' C 13 89.52260948 0 . 1 . . . . . 13 U C1' . 53977 1
100 . 1 . 1 14 14 U C6 C 13 143.4955618 0 . 1 . . . . . 13 U C6 . 53977 1
101 . 1 . 1 14 14 U N1 N 15 143.5857843 0 . 1 . . . . . 13 U N1 . 53977 1
102 . 1 . 1 15 15 C H1' H 1 5.838810126 0.04291372187 . 1 . . . . . 14 C H1' . 53977 1
103 . 1 . 1 15 15 C H5 H 1 5.970728824 0.001914265259 . 1 . . . . . 14 C H5 . 53977 1
104 . 1 . 1 15 15 C H6 H 1 7.696535773 0.04124159235 . 1 . . . . . 14 C H6 . 53977 1
105 . 1 . 1 15 15 C C1' C 13 90.73429669 0 . 1 . . . . . 14 C C1' . 53977 1
106 . 1 . 1 15 15 C C6 C 13 144.0003053 0 . 1 . . . . . 14 C C6 . 53977 1
107 . 1 . 1 15 15 C N1 N 15 150.292356 0.02001961675 . 1 . . . . . 14 C N1 . 53977 1
108 . 1 . 1 16 16 G H1 H 1 13.00229797 0.0009206300583 . 1 . . . . . 15 G H1 . 53977 1
109 . 1 . 1 16 16 G H1' H 1 5.706776602 0.002104648012 . 1 . . . . . 15 G H1' . 53977 1
110 . 1 . 1 16 16 G H8 H 1 8.085346986 0.03672411611 . 1 . . . . . 15 G H8 . 53977 1
111 . 1 . 1 16 16 G C1' C 13 89.28100219 0 . 1 . . . . . 15 G C1' . 53977 1
112 . 1 . 1 16 16 G C8 C 13 138.0910058 0 . 1 . . . . . 15 G C8 . 53977 1
113 . 1 . 1 16 16 G N1 N 15 148.5796654 0 . 1 . . . . . 15 G N1 . 53977 1
114 . 1 . 1 16 16 G N9 N 15 166.6483829 . . 1 . . . . . 15 G N9 . 53977 1
115 . 1 . 1 17 17 C H1' H 1 5.609145892 0.04745640844 . 1 . . . . . 15A C H1' . 53977 1
116 . 1 . 1 17 17 C H5 H 1 5.244741241 0.002990830377 . 1 . . . . . 15A C H5 . 53977 1
117 . 1 . 1 17 17 C H6 H 1 7.597763889 0.03493102865 . 1 . . . . . 15A C H6 . 53977 1
118 . 1 . 1 17 17 C H41 H 1 6.401291377 0.0005349662873 . 1 . . . . . 15A C H41 . 53977 1
119 . 1 . 1 17 17 C H42 H 1 8.340409176 0.001101340691 . 1 . . . . . 15A C H42 . 53977 1
120 . 1 . 1 17 17 C C1' C 13 94.32490954 0 . 1 . . . . . 15A C C1' . 53977 1
121 . 1 . 1 17 17 C C6 C 13 141.6941879 0 . 1 . . . . . 15A C C6 . 53977 1
122 . 1 . 1 17 17 C N1 N 15 150.4324933 0 . 1 . . . . . 15A C N1 . 53977 1
123 . 1 . 1 17 17 C N4 N 15 96.9846685 0.001272883368 . 1 . . . . . 15A C N4 . 53977 1
124 . 1 . 1 18 18 G H1 H 1 12.79124553 0.0008179749866 . 1 . . . . . 16 G H1 . 53977 1
125 . 1 . 1 18 18 G H1' H 1 5.602877932 0.04758333456 . 1 . . . . . 16 G H1' . 53977 1
126 . 1 . 1 18 18 G H8 H 1 7.293535464 0.03520173318 . 1 . . . . . 16 G H8 . 53977 1
127 . 1 . 1 18 18 G C1' C 13 93.56551633 . . 1 . . . . . 16 G C1' . 53977 1
128 . 1 . 1 18 18 G C8 C 13 135.9458591 0 . 1 . . . . . 16 G C8 . 53977 1
129 . 1 . 1 18 18 G N1 N 15 147.4506202 0 . 1 . . . . . 16 G N1 . 53977 1
130 . 1 . 1 18 18 G N9 N 15 167.9696776 0 . 1 . . . . . 16 G N9 . 53977 1
131 . 1 . 1 19 19 G H1' H 1 5.415704426 0.0002708175916 . 1 . . . . . 17 G H1' . 53977 1
132 . 1 . 1 19 19 G H8 H 1 7.788924982 0.03506437728 . 1 . . . . . 17 G H8 . 53977 1
133 . 1 . 1 19 19 G C1' C 13 91.47080798 0 . 1 . . . . . 17 G C1' . 53977 1
134 . 1 . 1 19 19 G C8 C 13 137.098819 0 . 1 . . . . . 17 G C8 . 53977 1
135 . 1 . 1 19 19 G N9 N 15 169.6513255 . . 1 . . . . . 17 G N9 . 53977 1
136 . 1 . 1 20 20 A H1' H 1 5.841897285 0.0387060579 . 1 . . . . . 18 A H1' . 53977 1
137 . 1 . 1 20 20 A H8 H 1 7.986008811 0.03249688889 . 1 . . . . . 18 A H8 . 53977 1
138 . 1 . 1 20 20 A C1' C 13 92.76830887 0 . 1 . . . . . 18 A C1' . 53977 1
139 . 1 . 1 20 20 A C8 C 13 140.3901997 0 . 1 . . . . . 18 A C8 . 53977 1
140 . 1 . 1 20 20 A N9 N 15 169.2309135 0.02001961684 . 1 . . . . . 18 A N9 . 53977 1
141 . 1 . 1 21 21 G H1 H 1 10.24202698 0 . 1 . . . . . 19 G H1 . 53977 1
142 . 1 . 1 21 21 G H8 H 1 7.355397154 0.001061034274 . 1 . . . . . 19 G H8 . 53977 1
143 . 1 . 1 21 21 G C8 C 13 136.8123463 0 . 1 . . . . . 19 G C8 . 53977 1
144 . 1 . 1 21 21 G N1 N 15 142.9343974 0 . 1 . . . . . 19 G N1 . 53977 1
145 . 1 . 1 22 22 G H1 H 1 10.73415151 0.00081459379 . 1 . . . . . 20 G H1 . 53977 1
146 . 1 . 1 22 22 G H1' H 1 5.495548582 . . 1 . . . . . 20 G H1' . 53977 1
147 . 1 . 1 22 22 G H8 H 1 6.889610355 0.05092815463 . 1 . . . . . 20 G H8 . 53977 1
148 . 1 . 1 22 22 G C8 C 13 136.8805427 . . 1 . . . . . 20 G C8 . 53977 1
149 . 1 . 1 22 22 G N1 N 15 142.9674815 0 . 1 . . . . . 20 G N1 . 53977 1
150 . 1 . 1 22 22 G N9 N 15 170.043563 0.008154772663 . 1 . . . . . 20 G N9 . 53977 1
151 . 1 . 1 23 23 G H1 H 1 13.30932261 0.001057063718 . 1 . . . . . 21 G H1 . 53977 1
152 . 1 . 1 23 23 G H1' H 1 5.697629382 0.042126238 . 1 . . . . . 21 G H1' . 53977 1
153 . 1 . 1 23 23 G H8 H 1 7.174653752 0.03657790922 . 1 . . . . . 21 G H8 . 53977 1
154 . 1 . 1 23 23 G C1' C 13 93.11007568 0 . 1 . . . . . 21 G C1' . 53977 1
155 . 1 . 1 23 23 G C8 C 13 136.0804115 0 . 1 . . . . . 21 G C8 . 53977 1
156 . 1 . 1 23 23 G N1 N 15 148.4573708 0 . 1 . . . . . 21 G N1 . 53977 1
157 . 1 . 1 23 23 G N9 N 15 169.41109 0 . 1 . . . . . 21 G N9 . 53977 1
158 . 1 . 1 24 24 C H1' H 1 5.520632286 0.03902595883 . 1 . . . . . 22 C H1' . 53977 1
159 . 1 . 1 24 24 C H5 H 1 5.209045594 0.001654654582 . 1 . . . . . 22 C H5 . 53977 1
160 . 1 . 1 24 24 C H6 H 1 7.535522577 0.03540148592 . 1 . . . . . 22 C H6 . 53977 1
161 . 1 . 1 24 24 C H41 H 1 6.823956781 0.003077175609 . 1 . . . . . 22 C H41 . 53977 1
162 . 1 . 1 24 24 C H42 H 1 8.480398649 0.002035237494 . 1 . . . . . 22 C H42 . 53977 1
163 . 1 . 1 24 24 C C1' C 13 93.80979649 0 . 1 . . . . . 22 C C1' . 53977 1
164 . 1 . 1 24 24 C C6 C 13 140.4635087 0 . 1 . . . . . 22 C C6 . 53977 1
165 . 1 . 1 24 24 C N1 N 15 150.0874998 0.01535966004 . 1 . . . . . 22 C N1 . 53977 1
166 . 1 . 1 25 25 G H1 H 1 12.90798834 0.001269408223 . 1 . . . . . 23 G H1 . 53977 1
167 . 1 . 1 25 25 G H1' H 1 5.7169364 0.0405697568 . 1 . . . . . 23 G H1' . 53977 1
168 . 1 . 1 25 25 G H8 H 1 7.551218964 0.03982820078 . 1 . . . . . 23 G H8 . 53977 1
169 . 1 . 1 25 25 G C1' C 13 92.97784275 0 . 1 . . . . . 23 G C1' . 53977 1
170 . 1 . 1 25 25 G C8 C 13 136.1523127 0 . 1 . . . . . 23 G C8 . 53977 1
171 . 1 . 1 25 25 G N1 N 15 147.903584 0 . 1 . . . . . 23 G N1 . 53977 1
172 . 1 . 1 25 25 G N9 N 15 168.7280731 0.03746032715 . 1 . . . . . 23 G N9 . 53977 1
173 . 1 . 1 26 26 C H1' H 1 5.498977419 0.03885492102 . 1 . . . . . 24 C H1' . 53977 1
174 . 1 . 1 26 26 C H5 H 1 5.222046406 0.004003604574 . 1 . . . . . 24 C H5 . 53977 1
175 . 1 . 1 26 26 C H6 H 1 7.66540171 0.03383489592 . 1 . . . . . 24 C H6 . 53977 1
176 . 1 . 1 26 26 C H41 H 1 6.887959962 0.001144813405 . 1 . . . . . 24 C H41 . 53977 1
177 . 1 . 1 26 26 C H42 H 1 8.580135942 0.001718947663 . 1 . . . . . 24 C H42 . 53977 1
178 . 1 . 1 26 26 C C1' C 13 94.21717905 0 . 1 . . . . . 24 C C1' . 53977 1
179 . 1 . 1 26 26 C C6 C 13 141.1456593 0 . 1 . . . . . 24 C C6 . 53977 1
180 . 1 . 1 26 26 C N1 N 15 151.1531995 0 . 1 . . . . . 24 C N1 . 53977 1
181 . 1 . 1 26 26 C N4 N 15 99.13422914 0.0000954 . 1 . . . . . 24 C N4 . 53977 1
182 . 1 . 1 27 27 C H1' H 1 5.729286999 0.04702445041 . 1 . . . . . 25 C H1' . 53977 1
183 . 1 . 1 27 27 C H5 H 1 5.525630434 0.002536592772 . 1 . . . . . 25 C H5 . 53977 1
184 . 1 . 1 27 27 C H6 H 1 7.652842365 0.03658307321 . 1 . . . . . 25 C H6 . 53977 1
185 . 1 . 1 27 27 C H41 H 1 7.000498805 0.001478484274 . 1 . . . . . 25 C H41 . 53977 1
186 . 1 . 1 27 27 C H42 H 1 8.345773309 0.0007208784156 . 1 . . . . . 25 C H42 . 53977 1
187 . 1 . 1 27 27 C C1' C 13 92.97995837 0 . 1 . . . . . 25 C C1' . 53977 1
188 . 1 . 1 27 27 C C6 C 13 141.7062906 0 . 1 . . . . . 25 C C6 . 53977 1
189 . 1 . 1 27 27 C N1 N 15 152.3944157 0 . 1 . . . . . 25 C N1 . 53977 1
190 . 1 . 1 27 27 C N4 N 15 97.5118017 0.001052829666 . 1 . . . . . 25 C N4 . 53977 1
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