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 50344
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 5_SL23
_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
6 1H-JR[15N] . . . 50344 1
7 TROSY[15N] . . . 50344 1
8 HSQC[15N] . . . 50344 1
9 HNN-COSY[15N] . . . 50344 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 . . 50344 1
2 $software_2 . . 50344 1
3 $software_3 . . 50344 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 10.2719 . . 1 . . . . . -1 G H1 . 50344 1
2 . 1 . 1 1 1 G H22 H 1 6.2355 . . 1 . . . . . -1 G H22 . 50344 1
3 . 1 . 1 1 1 G N1 N 15 142.282 . . 1 . . . . . -1 G N1 . 50344 1
4 . 1 . 1 1 1 G N2 N 15 73.3155 . . 1 . . . . . -1 G N2 . 50344 1
5 . 1 . 1 2 2 G H1 H 1 12.589 . . 1 . . . . . 45 G H1 . 50344 1
6 . 1 . 1 2 2 G H21 H 1 8.283 . . 1 . . . . . 45 G H21 . 50344 1
7 . 1 . 1 2 2 G H22 H 1 6.41029 . . 1 . . . . . 45 G H22 . 50344 1
8 . 1 . 1 2 2 G N1 N 15 147.082 . . 1 . . . . . 45 G N1 . 50344 1
9 . 1 . 1 2 2 G N2 N 15 75.5404 . . 1 . . . . . 45 G N2 . 50344 1
10 . 1 . 1 3 3 A H2 H 1 7.7828 . . 1 . . . . . 46 A H2 . 50344 1
11 . 1 . 1 3 3 A H61 H 1 8.134 . . 1 . . . . . 46 A H61 . 50344 1
12 . 1 . 1 3 3 A H62 H 1 6.84833 . . 1 . . . . . 46 A H62 . 50344 1
13 . 1 . 1 3 3 A N1 N 15 222.054 . . 1 . . . . . 46 A N1 . 50344 1
14 . 1 . 1 3 3 A N3 N 15 211.772 . . 1 . . . . . 46 A N3 . 50344 1
15 . 1 . 1 3 3 A N6 N 15 84.3541 . . 1 . . . . . 46 A N6 . 50344 1
16 . 1 . 1 3 3 A N7 N 15 229.568 . . 1 . . . . . 46 A N7 . 50344 1
17 . 1 . 1 3 3 A N9 N 15 168.697 . . 1 . . . . . 46 A N9 . 50344 1
18 . 1 . 1 4 4 U H3 H 1 14.2515 . . 1 . . . . . 47 U H3 . 50344 1
19 . 1 . 1 4 4 U H5 H 1 5.5235 . . 1 . . . . . 47 U H5 . 50344 1
20 . 1 . 1 4 4 U N3 N 15 162.779 . . 1 . . . . . 47 U N3 . 50344 1
21 . 1 . 1 5 5 C H5 H 1 5.59888 . . 1 . . . . . 48 C H5 . 50344 1
22 . 1 . 1 5 5 C H41 H 1 8.41927 . . 1 . . . . . 48 C H41 . 50344 1
23 . 1 . 1 5 5 C H42 H 1 7.0514 . . 1 . . . . . 48 C H42 . 50344 1
24 . 1 . 1 5 5 C N3 N 15 197.111 . . 1 . . . . . 48 C N3 . 50344 1
25 . 1 . 1 5 5 C N4 N 15 98.4463 . . 1 . . . . . 48 C N4 . 50344 1
26 . 1 . 1 6 6 U H3 H 1 13.6473 . . 1 . . . . . 49 U H3 . 50344 1
27 . 1 . 1 6 6 U N3 N 15 161.87 . . 1 . . . . . 49 U N3 . 50344 1
28 . 1 . 1 7 7 C H41 H 1 7.8505 . . 1 . . . . . 50 C H41 . 50344 1
29 . 1 . 1 10 10 G H1 H 1 12.1834 . . 1 . . . . . 53 G H1 . 50344 1
30 . 1 . 1 10 10 G N1 N 15 147.023 . . 1 . . . . . 53 G N1 . 50344 1
31 . 1 . 1 12 12 A H2 H 1 7.50264 . . 1 . . . . . 55 A H2 . 50344 1
32 . 1 . 1 12 12 A H61 H 1 8.03833 . . 1 . . . . . 55 A H61 . 50344 1
33 . 1 . 1 12 12 A H62 H 1 6.54067 . . 1 . . . . . 55 A H62 . 50344 1
34 . 1 . 1 12 12 A N1 N 15 221.299 . . 1 . . . . . 55 A N1 . 50344 1
35 . 1 . 1 12 12 A N3 N 15 212.433 . . 1 . . . . . 55 A N3 . 50344 1
36 . 1 . 1 12 12 A N6 N 15 82.1859 . . 1 . . . . . 55 A N6 . 50344 1
37 . 1 . 1 13 13 G H1 H 1 12.6783 . . 1 . . . . . 56 G H1 . 50344 1
38 . 1 . 1 13 13 G H21 H 1 8.15767 . . 1 . . . . . 56 G H21 . 50344 1
39 . 1 . 1 13 13 G H22 H 1 6.12229 . . 1 . . . . . 56 G H22 . 50344 1
40 . 1 . 1 13 13 G N1 N 15 147.066 . . 1 . . . . . 56 G N1 . 50344 1
41 . 1 . 1 13 13 G N2 N 15 74.526 . . 1 . . . . . 56 G N2 . 50344 1
42 . 1 . 1 14 14 A H2 H 1 7.76329 . . 1 . . . . . 57 A H2 . 50344 1
43 . 1 . 1 14 14 A H61 H 1 8.08433 . . 1 . . . . . 57 A H61 . 50344 1
44 . 1 . 1 14 14 A H62 H 1 6.759 . . 1 . . . . . 57 A H62 . 50344 1
45 . 1 . 1 14 14 A N1 N 15 222.077 . . 1 . . . . . 57 A N1 . 50344 1
46 . 1 . 1 14 14 A N6 N 15 84.5435 . . 1 . . . . . 57 A N6 . 50344 1
47 . 1 . 1 14 14 A N7 N 15 229.705 . . 1 . . . . . 57 A N7 . 50344 1
48 . 1 . 1 14 14 A N9 N 15 169.97 . . 1 . . . . . 57 A N9 . 50344 1
49 . 1 . 1 15 15 U H3 H 1 14.1268 . . 1 . . . . . 58 U H3 . 50344 1
50 . 1 . 1 15 15 U H5 H 1 5.547 . . 1 . . . . . 58 U H5 . 50344 1
51 . 1 . 1 15 15 U N3 N 15 162.638 . . 1 . . . . . 58 U N3 . 50344 1
52 . 1 . 1 16 16 C H5 H 1 5.57783 . . 1 . . . . . 59 C H5 . 50344 1
53 . 1 . 1 16 16 C H6 H 1 7.7235 . . 1 . . . . . 59 C H6 . 50344 1
54 . 1 . 1 16 16 C H41 H 1 8.43383 . . 1 . . . . . 59 C H41 . 50344 1
55 . 1 . 1 16 16 C H42 H 1 6.98694 . . 1 . . . . . 59 C H42 . 50344 1
56 . 1 . 1 16 16 C N3 N 15 196.003 . . 1 . . . . . 59 C N3 . 50344 1
57 . 1 . 1 16 16 C N4 N 15 98.7884 . . 1 . . . . . 59 C N4 . 50344 1
58 . 1 . 1 17 17 U H3 H 1 12.1098 . . 1 . . . . . 60 U H3 . 50344 1
59 . 1 . 1 17 17 U N1 N 15 142.298 . . 1 . . . . . 60 U N1 . 50344 1
60 . 1 . 1 17 17 U N3 N 15 158.458 . . 1 . . . . . 60 U N3 . 50344 1
61 . 1 . 1 18 18 G H1 H 1 12.7014 . . 1 . . . . . 61 G H1 . 50344 1
62 . 1 . 1 19 19 U H3 H 1 14.7199 . . 1 . . . . . 62 U H3 . 50344 1
63 . 1 . 1 19 19 U N3 N 15 163.35 . . 1 . . . . . 62 U N3 . 50344 1
64 . 1 . 1 20 20 U H3 H 1 14.0008 . . 1 . . . . . 63 U H3 . 50344 1
65 . 1 . 1 20 20 U N3 N 15 163.391 . . 1 . . . . . 63 U N3 . 50344 1
66 . 1 . 1 21 21 C H5 H 1 5.5836 . . 1 . . . . . 64 C H5 . 50344 1
67 . 1 . 1 21 21 C H6 H 1 8.007 . . 1 . . . . . 64 C H6 . 50344 1
68 . 1 . 1 21 21 C H41 H 1 8.2686 . . 1 . . . . . 64 C H41 . 50344 1
69 . 1 . 1 21 21 C H42 H 1 7.0202 . . 1 . . . . . 64 C H42 . 50344 1
70 . 1 . 1 21 21 C N3 N 15 196.304 . . 1 . . . . . 64 C N3 . 50344 1
71 . 1 . 1 21 21 C N4 N 15 98.4514 . . 1 . . . . . 64 C N4 . 50344 1
72 . 1 . 1 29 29 G H1 H 1 12.2466 . . 1 . . . . . 72 G H1 . 50344 1
73 . 1 . 1 29 29 G H21 H 1 7.998 . . 1 . . . . . 72 G H21 . 50344 1
74 . 1 . 1 29 29 G H22 H 1 6.115 . . 1 . . . . . 72 G H22 . 50344 1
75 . 1 . 1 29 29 G N1 N 15 146.691 . . 1 . . . . . 72 G N1 . 50344 1
76 . 1 . 1 29 29 G N2 N 15 75.081 . . 1 . . . . . 72 G N2 . 50344 1
77 . 1 . 1 30 30 A H2 H 1 7.19929 . . 1 . . . . . 73 A H2 . 50344 1
78 . 1 . 1 30 30 A H61 H 1 7.6904 . . 1 . . . . . 73 A H61 . 50344 1
79 . 1 . 1 30 30 A H62 H 1 6.74633 . . 1 . . . . . 73 A H62 . 50344 1
80 . 1 . 1 30 30 A N1 N 15 219.907 . . 1 . . . . . 73 A N1 . 50344 1
81 . 1 . 1 30 30 A N3 N 15 211.596 . . 1 . . . . . 73 A N3 . 50344 1
82 . 1 . 1 30 30 A N6 N 15 83.9028 . . 1 . . . . . 73 A N6 . 50344 1
83 . 1 . 1 31 31 A H2 H 1 7.83257 . . 1 . . . . . 74 A H2 . 50344 1
84 . 1 . 1 31 31 A H61 H 1 7.97525 . . 1 . . . . . 74 A H61 . 50344 1
85 . 1 . 1 31 31 A H62 H 1 6.8024 . . 1 . . . . . 74 A H62 . 50344 1
86 . 1 . 1 31 31 A N1 N 15 220.807 . . 1 . . . . . 74 A N1 . 50344 1
87 . 1 . 1 31 31 A N3 N 15 211.321 . . 1 . . . . . 74 A N3 . 50344 1
88 . 1 . 1 31 31 A N6 N 15 85.6912 . . 1 . . . . . 74 A N6 . 50344 1
89 . 1 . 1 31 31 A N9 N 15 169.714 . . 1 . . . . . 74 A N9 . 50344 1
90 . 1 . 1 32 32 C H5 H 1 5.3974 . . 1 . . . . . 75 C H5 . 50344 1
91 . 1 . 1 32 32 C H6 H 1 7.9 . . 1 . . . . . 75 C H6 . 50344 1
92 . 1 . 1 32 32 C H41 H 1 7.962 . . 1 . . . . . 75 C H41 . 50344 1
93 . 1 . 1 32 32 C H42 H 1 7.4252 . . 1 . . . . . 75 C H42 . 50344 1
94 . 1 . 1 32 32 C N3 N 15 194.946 . . 1 . . . . . 75 C N3 . 50344 1
95 . 1 . 1 32 32 C N4 N 15 101.214 . . 1 . . . . . 75 C N4 . 50344 1
stop_
save_