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 50351
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Chemical shift list'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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 HSQC[13C]-Aromaten . . . 50351 1
2 HCCNH[13C] . . . 50351 1
3 '2D DARR' . . . 50351 1
4 HSQC[15N]-Amino . . . 50351 1
5 '3D 1H-13C NOESY aromatic' . . . 50351 1
6 TROSY[15N] . . . 50351 1
7 1H-JR[15N] . . . 50351 1
8 HSQC[15N]-2J . . . 50351 1
9 '2D 1H-13C HSQC aliphatic' . . . 50351 1
10 1H-ES . . . 50351 1
11 NOESY[15N]CPMG . . . 50351 1
12 NOESY[15N]-Imino . . . 50351 1
13 HNN-COSY[15N] . . . 50351 1
14 '2D 1H-13C HSQC aromatic' . . . 50351 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
2 $software_2 . . 50351 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 5.8225 . . 1 . . . . . -2 G H1' . 50351 1
2 . 1 . 1 1 1 G H8 H 1 8.13033 . . 1 . . . . . -2 G H8 . 50351 1
3 . 1 . 1 1 1 G C8 C 13 139.005 . . 1 . . . . . -2 G C8 . 50351 1
4 . 1 . 1 1 1 G N9 N 15 168.507 . . 1 . . . . . -2 G N9 . 50351 1
5 . 1 . 1 2 2 G H1 H 1 13.2962 . . 1 . . . . . -1 G H1 . 50351 1
6 . 1 . 1 2 2 G H1' H 1 5.91067 . . 1 . . . . . -1 G H1' . 50351 1
7 . 1 . 1 2 2 G H8 H 1 7.61175 . . 1 . . . . . -1 G H8 . 50351 1
8 . 1 . 1 2 2 G C1' C 13 92.998 . . 1 . . . . . -1 G C1' . 50351 1
9 . 1 . 1 2 2 G C8 C 13 136.812 . . 1 . . . . . -1 G C8 . 50351 1
10 . 1 . 1 2 2 G N1 N 15 148.439 . . 1 . . . . . -1 G N1 . 50351 1
11 . 1 . 1 2 2 G N9 N 15 169.31 . . 1 . . . . . -1 G N9 . 50351 1
12 . 1 . 1 3 3 C H1' H 1 5.53275 . . 1 . . . . . 302 C H1' . 50351 1
13 . 1 . 1 3 3 C H5 H 1 5.288 . . 1 . . . . . 302 C H5 . 50351 1
14 . 1 . 1 3 3 C H6 H 1 7.69967 . . 1 . . . . . 302 C H6 . 50351 1
15 . 1 . 1 3 3 C H41 H 1 8.52025 . . 1 . . . . . 302 C H41 . 50351 1
16 . 1 . 1 3 3 C H42 H 1 6.84867 . . 1 . . . . . 302 C H42 . 50351 1
17 . 1 . 1 3 3 C N3 N 15 197.129 . . 1 . . . . . 302 C N3 . 50351 1
18 . 1 . 1 3 3 C N4 N 15 98.1474 . . 1 . . . . . 302 C N4 . 50351 1
19 . 1 . 1 4 4 A H1' H 1 5.95875 . . 1 . . . . . 303 A H1' . 50351 1
20 . 1 . 1 4 4 A H2 H 1 7.34911 . . 1 . . . . . 303 A H2 . 50351 1
21 . 1 . 1 4 4 A H8 H 1 8.028 . . 1 . . . . . 303 A H8 . 50351 1
22 . 1 . 1 4 4 A N1 N 15 222.396 . . 1 . . . . . 303 A N1 . 50351 1
23 . 1 . 1 4 4 A N3 N 15 213.339 . . 1 . . . . . 303 A N3 . 50351 1
24 . 1 . 1 5 5 C H1' H 1 5.39533 . . 1 . . . . . 304 C H1' . 50351 1
25 . 1 . 1 5 5 C H5 H 1 5.2034 . . 1 . . . . . 304 C H5 . 50351 1
26 . 1 . 1 5 5 C H6 H 1 7.44989 . . 1 . . . . . 304 C H6 . 50351 1
27 . 1 . 1 5 5 C H41 H 1 8.26167 . . 1 . . . . . 304 C H41 . 50351 1
28 . 1 . 1 5 5 C H42 H 1 6.86067 . . 1 . . . . . 304 C H42 . 50351 1
29 . 1 . 1 5 5 C N3 N 15 197.536 . . 1 . . . . . 304 C N3 . 50351 1
30 . 1 . 1 5 5 C N4 N 15 97.8876 . . 1 . . . . . 304 C N4 . 50351 1
31 . 1 . 1 6 6 G H1 H 1 12.9881 . . 1 . . . . . 305 G H1 . 50351 1
32 . 1 . 1 6 6 G H1' H 1 5.71575 . . 1 . . . . . 305 G H1' . 50351 1
33 . 1 . 1 6 6 G H8 H 1 7.5438 . . 1 . . . . . 305 G H8 . 50351 1
34 . 1 . 1 6 6 G C1' C 13 93.142 . . 1 . . . . . 305 G C1' . 50351 1
35 . 1 . 1 6 6 G C8 C 13 136.248 . . 1 . . . . . 305 G C8 . 50351 1
36 . 1 . 1 6 6 G N1 N 15 147.554 . . 1 . . . . . 305 G N1 . 50351 1
37 . 1 . 1 6 6 G N9 N 15 168.887 . . 1 . . . . . 305 G N9 . 50351 1
38 . 1 . 1 7 7 U H1' H 1 5.5505 . . 1 . . . . . 306 U H1' . 50351 1
39 . 1 . 1 7 7 U H3 H 1 14.336 . . 1 . . . . . 306 U H3 . 50351 1
40 . 1 . 1 7 7 U H5 H 1 5.041 . . 1 . . . . . 306 U H5 . 50351 1
41 . 1 . 1 7 7 U H6 H 1 7.814 . . 1 . . . . . 306 U H6 . 50351 1
42 . 1 . 1 7 7 U C1' C 13 93.774 . . 1 . . . . . 306 U C1' . 50351 1
43 . 1 . 1 7 7 U C5 C 13 102.426 . . 1 . . . . . 306 U C5 . 50351 1
44 . 1 . 1 7 7 U C6 C 13 141.929 . . 1 . . . . . 306 U C6 . 50351 1
45 . 1 . 1 7 7 U N1 N 15 146.748 . . 1 . . . . . 306 U N1 . 50351 1
46 . 1 . 1 7 7 U N3 N 15 162.724 . . 1 . . . . . 306 U N3 . 50351 1
47 . 1 . 1 8 8 C H5 H 1 5.596 . . 1 . . . . . 307 C H5 . 50351 1
48 . 1 . 1 8 8 C H6 H 1 7.81167 . . 1 . . . . . 307 C H6 . 50351 1
49 . 1 . 1 8 8 C H41 H 1 8.4575 . . 1 . . . . . 307 C H41 . 50351 1
50 . 1 . 1 8 8 C H42 H 1 6.92 . . 1 . . . . . 307 C H42 . 50351 1
51 . 1 . 1 8 8 C N3 N 15 198.001 . . 1 . . . . . 307 C N3 . 50351 1
52 . 1 . 1 8 8 C N4 N 15 98.7343 . . 1 . . . . . 307 C N4 . 50351 1
53 . 1 . 1 21 21 C H5 H 1 5.491 . . 1 . . . . . 320 C H5 . 50351 1
54 . 1 . 1 21 21 C H6 H 1 7.82267 . . 1 . . . . . 320 C H6 . 50351 1
55 . 1 . 1 21 21 C H41 H 1 8.554 . . 1 . . . . . 320 C H41 . 50351 1
56 . 1 . 1 21 21 C H42 H 1 6.98733 . . 1 . . . . . 320 C H42 . 50351 1
57 . 1 . 1 21 21 C N3 N 15 197.825 . . 1 . . . . . 320 C N3 . 50351 1
58 . 1 . 1 21 21 C N4 N 15 99.3 . . 1 . . . . . 320 C N4 . 50351 1
59 . 1 . 1 22 22 C H5 H 1 5.54133 . . 1 . . . . . 321 C H5 . 50351 1
60 . 1 . 1 22 22 C H6 H 1 7.82667 . . 1 . . . . . 321 C H6 . 50351 1
61 . 1 . 1 22 22 C H41 H 1 8.4364 . . 1 . . . . . 321 C H41 . 50351 1
62 . 1 . 1 22 22 C H42 H 1 6.94067 . . 1 . . . . . 321 C H42 . 50351 1
63 . 1 . 1 22 22 C N3 N 15 196.779 . . 1 . . . . . 321 C N3 . 50351 1
64 . 1 . 1 22 22 C N4 N 15 98.2448 . . 1 . . . . . 321 C N4 . 50351 1
65 . 1 . 1 23 23 U H1' H 1 5.52525 . . 1 . . . . . 322 U H1' . 50351 1
66 . 1 . 1 23 23 U H3 H 1 13.4929 . . 1 . . . . . 322 U H3 . 50351 1
67 . 1 . 1 23 23 U H5 H 1 5.4395 . . 1 . . . . . 322 U H5 . 50351 1
68 . 1 . 1 23 23 U H6 H 1 7.873 . . 1 . . . . . 322 U H6 . 50351 1
69 . 1 . 1 23 23 U C1' C 13 93.739 . . 1 . . . . . 322 U C1' . 50351 1
70 . 1 . 1 23 23 U C5 C 13 103.476 . . 1 . . . . . 322 U C5 . 50351 1
71 . 1 . 1 23 23 U C6 C 13 141.869 . . 1 . . . . . 322 U C6 . 50351 1
72 . 1 . 1 23 23 U N1 N 15 145.89 . . 1 . . . . . 322 U N1 . 50351 1
73 . 1 . 1 23 23 U N3 N 15 161.948 . . 1 . . . . . 322 U N3 . 50351 1
74 . 1 . 1 24 24 G H1 H 1 12.5177 . . 1 . . . . . 323 G H1 . 50351 1
75 . 1 . 1 24 24 G H1' H 1 5.785 . . 1 . . . . . 323 G H1' . 50351 1
76 . 1 . 1 24 24 G H8 H 1 7.7118 . . 1 . . . . . 323 G H8 . 50351 1
77 . 1 . 1 24 24 G C1' C 13 93.027 . . 1 . . . . . 323 G C1' . 50351 1
78 . 1 . 1 24 24 G C8 C 13 136.552 . . 1 . . . . . 323 G C8 . 50351 1
79 . 1 . 1 24 24 G N1 N 15 147.115 . . 1 . . . . . 323 G N1 . 50351 1
80 . 1 . 1 24 24 G N9 N 15 169.631 . . 1 . . . . . 323 G N9 . 50351 1
81 . 1 . 1 25 25 U H1' H 1 5.73433 . . 1 . . . . . 324 U H1' . 50351 1
82 . 1 . 1 25 25 U H3 H 1 14.001 . . 1 . . . . . 324 U H3 . 50351 1
83 . 1 . 1 25 25 U H5 H 1 5.19875 . . 1 . . . . . 324 U H5 . 50351 1
84 . 1 . 1 25 25 U H6 H 1 7.48914 . . 1 . . . . . 324 U H6 . 50351 1
85 . 1 . 1 25 25 U C1' C 13 90.841 . . 1 . . . . . 324 U C1' . 50351 1
86 . 1 . 1 25 25 U C5 C 13 104.321 . . 1 . . . . . 324 U C5 . 50351 1
87 . 1 . 1 25 25 U C6 C 13 141.509 . . 1 . . . . . 324 U C6 . 50351 1
88 . 1 . 1 25 25 U N1 N 15 143.742 . . 1 . . . . . 324 U N1 . 50351 1
89 . 1 . 1 25 25 U N3 N 15 161.754 . . 1 . . . . . 324 U N3 . 50351 1
90 . 1 . 1 29 29 A H1' H 1 5.86617 . . 1 . . . . . 328 A H1' . 50351 1
91 . 1 . 1 29 29 A H2 H 1 7.965 . . 1 . . . . . 328 A H2 . 50351 1
92 . 1 . 1 29 29 A H8 H 1 8.4532 . . 1 . . . . . 328 A H8 . 50351 1
93 . 1 . 1 29 29 A N1 N 15 224.173 . . 1 . . . . . 328 A N1 . 50351 1
94 . 1 . 1 29 29 A N3 N 15 214.374 . . 1 . . . . . 328 A N3 . 50351 1
95 . 1 . 1 30 30 C H1' H 1 5.714 . . 1 . . . . . 329 C H1' . 50351 1
96 . 1 . 1 30 30 C H5 H 1 5.2544 . . 1 . . . . . 329 C H5 . 50351 1
97 . 1 . 1 30 30 C H6 H 1 7.6026 . . 1 . . . . . 329 C H6 . 50351 1
98 . 1 . 1 30 30 C H41 H 1 8.256 . . 1 . . . . . 329 C H41 . 50351 1
99 . 1 . 1 30 30 C H42 H 1 6.71513 . . 1 . . . . . 329 C H42 . 50351 1
100 . 1 . 1 30 30 C N3 N 15 197.452 . . 1 . . . . . 329 C N3 . 50351 1
101 . 1 . 1 30 30 C N4 N 15 96.7195 . . 1 . . . . . 329 C N4 . 50351 1
102 . 1 . 1 31 31 A H1' H 1 5.9925 . . 1 . . . . . 330 A H1' . 50351 1
103 . 1 . 1 31 31 A H2 H 1 7.06614 . . 1 . . . . . 330 A H2 . 50351 1
104 . 1 . 1 31 31 A H8 H 1 8.018 . . 1 . . . . . 330 A H8 . 50351 1
105 . 1 . 1 31 31 A N1 N 15 220.261 . . 1 . . . . . 330 A N1 . 50351 1
106 . 1 . 1 31 31 A N3 N 15 213.58 . . 1 . . . . . 330 A N3 . 50351 1
107 . 1 . 1 32 32 G H1 H 1 12.9202 . . 1 . . . . . 331 G H1 . 50351 1
108 . 1 . 1 32 32 G H1' H 1 5.57983 . . 1 . . . . . 331 G H1' . 50351 1
109 . 1 . 1 32 32 G H8 H 1 7.14 . . 1 . . . . . 331 G H8 . 50351 1
110 . 1 . 1 32 32 G C1' C 13 92.511 . . 1 . . . . . 331 G C1' . 50351 1
111 . 1 . 1 32 32 G C8 C 13 135.579 . . 1 . . . . . 331 G C8 . 50351 1
112 . 1 . 1 32 32 G N1 N 15 147.358 . . 1 . . . . . 331 G N1 . 50351 1
113 . 1 . 1 32 32 G N9 N 15 169.118 . . 1 . . . . . 331 G N9 . 50351 1
114 . 1 . 1 33 33 G H1 H 1 13.4465 . . 1 . . . . . 332 G H1 . 50351 1
115 . 1 . 1 33 33 G H1' H 1 5.71 . . 1 . . . . . 332 G H1' . 50351 1
116 . 1 . 1 33 33 G H8 H 1 7.065 . . 1 . . . . . 332 G H8 . 50351 1
117 . 1 . 1 33 33 G C1' C 13 93.177 . . 1 . . . . . 332 G C1' . 50351 1
118 . 1 . 1 33 33 G C8 C 13 135.721 . . 1 . . . . . 332 G C8 . 50351 1
119 . 1 . 1 33 33 G N1 N 15 148.681 . . 1 . . . . . 332 G N1 . 50351 1
120 . 1 . 1 33 33 G N9 N 15 169.45 . . 1 . . . . . 332 G N9 . 50351 1
121 . 1 . 1 34 34 U H1' H 1 5.6495 . . 1 . . . . . 333 U H1' . 50351 1
122 . 1 . 1 34 34 U H3 H 1 12.0985 . . 1 . . . . . 333 U H3 . 50351 1
123 . 1 . 1 34 34 U H5 H 1 5.3588 . . 1 . . . . . 333 U H5 . 50351 1
124 . 1 . 1 34 34 U H6 H 1 7.603 . . 1 . . . . . 333 U H6 . 50351 1
125 . 1 . 1 34 34 U C1' C 13 93.33 . . 1 . . . . . 333 U C1' . 50351 1
126 . 1 . 1 34 34 U C5 C 13 104.169 . . 1 . . . . . 333 U C5 . 50351 1
127 . 1 . 1 34 34 U C6 C 13 140.716 . . 1 . . . . . 333 U C6 . 50351 1
128 . 1 . 1 34 34 U N1 N 15 145.793 . . 1 . . . . . 333 U N1 . 50351 1
129 . 1 . 1 34 34 U N3 N 15 158.882 . . 1 . . . . . 333 U N3 . 50351 1
130 . 1 . 1 39 39 G H1 H 1 12.4016 . . 1 . . . . . 338 G H1 . 50351 1
131 . 1 . 1 39 39 G H8 H 1 7.521 . . 1 . . . . . 338 G H8 . 50351 1
132 . 1 . 1 39 39 G C8 C 13 137.277 . . 1 . . . . . 338 G C8 . 50351 1
133 . 1 . 1 39 39 G N1 N 15 147.108 . . 1 . . . . . 338 G N1 . 50351 1
134 . 1 . 1 40 40 A H1' H 1 6.0092 . . 1 . . . . . 339 A H1' . 50351 1
135 . 1 . 1 40 40 A H2 H 1 7.756 . . 1 . . . . . 339 A H2 . 50351 1
136 . 1 . 1 40 40 A N1 N 15 222.646 . . 1 . . . . . 339 A N1 . 50351 1
137 . 1 . 1 40 40 A N3 N 15 212.288 . . 1 . . . . . 339 A N3 . 50351 1
138 . 1 . 1 41 41 C H1' H 1 5.3925 . . 1 . . . . . 340 C H1' . 50351 1
139 . 1 . 1 41 41 C H5 H 1 5.24933 . . 1 . . . . . 340 C H5 . 50351 1
140 . 1 . 1 41 41 C H6 H 1 7.3685 . . 1 . . . . . 340 C H6 . 50351 1
141 . 1 . 1 41 41 C H41 H 1 8.2575 . . 1 . . . . . 340 C H41 . 50351 1
142 . 1 . 1 41 41 C H42 H 1 6.84533 . . 1 . . . . . 340 C H42 . 50351 1
143 . 1 . 1 41 41 C N3 N 15 197.156 . . 1 . . . . . 340 C N3 . 50351 1
144 . 1 . 1 41 41 C N4 N 15 98.209 . . 1 . . . . . 340 C N4 . 50351 1
145 . 1 . 1 42 42 G H1 H 1 12.8978 . . 1 . . . . . 341 G H1 . 50351 1
146 . 1 . 1 42 42 G H1' H 1 5.72075 . . 1 . . . . . 341 G H1' . 50351 1
147 . 1 . 1 42 42 G H8 H 1 7.51075 . . 1 . . . . . 341 G H8 . 50351 1
148 . 1 . 1 42 42 G C1' C 13 93.145 . . 1 . . . . . 341 G C1' . 50351 1
149 . 1 . 1 42 42 G C8 C 13 136.283 . . 1 . . . . . 341 G C8 . 50351 1
150 . 1 . 1 42 42 G N1 N 15 147.524 . . 1 . . . . . 341 G N1 . 50351 1
151 . 1 . 1 42 42 G N9 N 15 168.937 . . 1 . . . . . 341 G N9 . 50351 1
152 . 1 . 1 43 43 U H1' H 1 5.5375 . . 1 . . . . . 342 U H1' . 50351 1
153 . 1 . 1 43 43 U H3 H 1 13.6288 . . 1 . . . . . 342 U H3 . 50351 1
154 . 1 . 1 43 43 U H5 H 1 5.0765 . . 1 . . . . . 342 U H5 . 50351 1
155 . 1 . 1 43 43 U H6 H 1 7.7408 . . 1 . . . . . 342 U H6 . 50351 1
156 . 1 . 1 43 43 U C1' C 13 93.519 . . 1 . . . . . 342 U C1' . 50351 1
157 . 1 . 1 43 43 U C5 C 13 103 . . 1 . . . . . 342 U C5 . 50351 1
158 . 1 . 1 43 43 U C6 C 13 141.239 . . 1 . . . . . 342 U C6 . 50351 1
159 . 1 . 1 43 43 U N1 N 15 145.666 . . 1 . . . . . 342 U N1 . 50351 1
160 . 1 . 1 43 43 U N3 N 15 162.112 . . 1 . . . . . 342 U N3 . 50351 1
161 . 1 . 1 44 44 G H1 H 1 12.5891 . . 1 . . . . . 343 G H1 . 50351 1
162 . 1 . 1 44 44 G H1' H 1 5.79917 . . 1 . . . . . 343 G H1' . 50351 1
163 . 1 . 1 44 44 G H8 H 1 7.7128 . . 1 . . . . . 343 G H8 . 50351 1
164 . 1 . 1 44 44 G C1' C 13 92.907 . . 1 . . . . . 343 G C1' . 50351 1
165 . 1 . 1 44 44 G C8 C 13 136.105 . . 1 . . . . . 343 G C8 . 50351 1
166 . 1 . 1 44 44 G N1 N 15 147.914 . . 1 . . . . . 343 G N1 . 50351 1
167 . 1 . 1 44 44 G N9 N 15 169.439 . . 1 . . . . . 343 G N9 . 50351 1
168 . 1 . 1 45 45 C H1' H 1 5.479 . . 1 . . . . . 1 C H1' . 50351 1
169 . 1 . 1 45 45 C H5 H 1 5.23667 . . 1 . . . . . 1 C H5 . 50351 1
170 . 1 . 1 45 45 C H6 H 1 7.64871 . . 1 . . . . . 1 C H6 . 50351 1
171 . 1 . 1 45 45 C H41 H 1 8.5065 . . 1 . . . . . 1 C H41 . 50351 1
172 . 1 . 1 45 45 C H42 H 1 6.87433 . . 1 . . . . . 1 C H42 . 50351 1
173 . 1 . 1 45 45 C N3 N 15 198.255 . . 1 . . . . . 1 C N3 . 50351 1
174 . 1 . 1 45 45 C N4 N 15 99.1672 . . 1 . . . . . 1 C N4 . 50351 1
175 . 1 . 1 46 46 C H1' H 1 6.105 . . 1 . . . . . 2 C H1' . 50351 1
176 . 1 . 1 46 46 C H3' H 1 4.947 . . 1 . . . . . 2 C H3' . 50351 1
177 . 1 . 1 46 46 C H5 H 1 5.546 . . 1 . . . . . 2 C H5 . 50351 1
178 . 1 . 1 46 46 C H6 H 1 7.47582 . . 1 . . . . . 2 C H6 . 50351 1
179 . 1 . 1 46 46 C H41 H 1 8.518 . . 1 . . . . . 2 C H41 . 50351 1
180 . 1 . 1 46 46 C H42 H 1 7.06175 . . 1 . . . . . 2 C H42 . 50351 1
181 . 1 . 1 46 46 C N4 N 15 99.2467 . . 1 . . . . . 2 C N4 . 50351 1
stop_
save_