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 50342
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Chemical shift list'
_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 NOESY . . . 50342 1
2 NOESY[15N]-Imino . . . 50342 1
3 TROSY[15N] . . . 50342 1
4 HNN-COSY[15N] . . . 50342 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 . . 50342 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 12.8416 . . 1 . . . . . -2 G H1 . 50342 1
2 . 1 . 1 1 1 G N1 N 15 147.734 . . 1 . . . . . -2 G N1 . 50342 1
3 . 1 . 1 2 2 G H1 H 1 13.1594 . . 1 . . . . . -1 G H1 . 50342 1
4 . 1 . 1 2 2 G N1 N 15 148.768 . . 1 . . . . . -1 G N1 . 50342 1
5 . 1 . 1 4 4 C H41 H 1 8.479 . . 1 . . . . . 29548 C H41 . 50342 1
6 . 1 . 1 4 4 C H42 H 1 6.847 . . 1 . . . . . 29548 C H42 . 50342 1
7 . 1 . 1 4 4 C N3 N 15 196.497 . . 1 . . . . . 29548 C N3 . 50342 1
8 . 1 . 1 4 4 C N4 N 15 98.189 . . 1 . . . . . 29548 C N4 . 50342 1
9 . 1 . 1 5 5 A H2 H 1 7.2455 . . 1 . . . . . 29549 A H2 . 50342 1
10 . 1 . 1 5 5 A N1 N 15 221.858 . . 1 . . . . . 29549 A N1 . 50342 1
11 . 1 . 1 5 5 A N3 N 15 212.677 . . 1 . . . . . 29549 A N3 . 50342 1
12 . 1 . 1 6 6 C H41 H 1 8.172 . . 1 . . . . . 29550 C H41 . 50342 1
13 . 1 . 1 6 6 C H42 H 1 6.894 . . 1 . . . . . 29550 C H42 . 50342 1
14 . 1 . 1 6 6 C N3 N 15 196.531 . . 1 . . . . . 29550 C N3 . 50342 1
15 . 1 . 1 6 6 C N4 N 15 97.876 . . 1 . . . . . 29550 C N4 . 50342 1
16 . 1 . 1 7 7 A H2 H 1 6.59587 . . 1 . . . . . 29551 A H2 . 50342 1
17 . 1 . 1 7 7 A N1 N 15 219.565 . . 1 . . . . . 29551 A N1 . 50342 1
18 . 1 . 1 7 7 A N3 N 15 212.51 . . 1 . . . . . 29551 A N3 . 50342 1
19 . 1 . 1 8 8 A H1' H 1 5.866 . . 1 . . . . . 29552 A H1' . 50342 1
20 . 1 . 1 8 8 A H2 H 1 7.406 . . 1 . . . . . 29552 A H2 . 50342 1
21 . 1 . 1 8 8 A N1 N 15 219.84 . . 1 . . . . . 29552 A N1 . 50342 1
22 . 1 . 1 8 8 A N3 N 15 211.507 . . 1 . . . . . 29552 A N3 . 50342 1
23 . 1 . 1 16 16 G H1 H 1 10.1693 . . 1 . . . . . 29560 G H1 . 50342 1
24 . 1 . 1 16 16 G N1 N 15 142.647 . . 1 . . . . . 29560 G N1 . 50342 1
25 . 1 . 1 17 17 G H1 H 1 12.7351 . . 1 . . . . . 29561 G H1 . 50342 1
26 . 1 . 1 17 17 G N1 N 15 147.566 . . 1 . . . . . 29561 G N1 . 50342 1
27 . 1 . 1 18 18 G H1 H 1 11.3631 . . 1 . . . . . 29562 G H1 . 50342 1
28 . 1 . 1 18 18 G H21 H 1 6.3455 . . 2 . . . . . 29562 G H21 . 50342 1
29 . 1 . 1 18 18 G H22 H 1 6.3455 . . 2 . . . . . 29562 G H22 . 50342 1
30 . 1 . 1 18 18 G N1 N 15 145.312 . . 1 . . . . . 29562 G N1 . 50342 1
31 . 1 . 1 18 18 G N2 N 15 74.047 . . 1 . . . . . 29562 G N2 . 50342 1
32 . 1 . 1 19 19 C H41 H 1 8.272 . . 1 . . . . . 29563 C H41 . 50342 1
33 . 1 . 1 19 19 C H42 H 1 6.946 . . 1 . . . . . 29563 C H42 . 50342 1
34 . 1 . 1 19 19 C N3 N 15 196.595 . . 1 . . . . . 29563 C N3 . 50342 1
35 . 1 . 1 19 19 C N4 N 15 98.958 . . 1 . . . . . 29563 C N4 . 50342 1
36 . 1 . 1 20 20 U H3 H 1 13.18 . . 1 . . . . . 29564 U H3 . 50342 1
37 . 1 . 1 20 20 U N3 N 15 161.469 . . 1 . . . . . 29564 U N3 . 50342 1
38 . 1 . 1 21 21 A H2 H 1 6.909 . . 5 . . . . . 29565 A H2 . 50342 1
39 . 1 . 1 21 21 A N1 N 15 221.822 . . 5 . . . . . 29565 A N1 . 50342 1
40 . 1 . 1 22 22 U H3 H 1 13.0844 . . 5 . . . . . 29566 U H3 . 50342 1
41 . 1 . 1 22 22 U N3 N 15 161.478 . . 5 . . . . . 29566 U N3 . 50342 1
42 . 1 . 1 23 23 A H2 H 1 6.909 . . 5 . . . . . 29567 A H2 . 50342 1
43 . 1 . 1 23 23 A N1 N 15 221.822 . . 5 . . . . . 29567 A N1 . 50342 1
44 . 1 . 1 24 24 U H3 H 1 13.0844 . . 5 . . . . . 29568 U H3 . 50342 1
45 . 1 . 1 24 24 U N3 N 15 161.478 . . 5 . . . . . 29568 U N3 . 50342 1
46 . 1 . 1 29 29 G H1 H 1 12.8651 . . 1 . . . . . 29573 G H1 . 50342 1
47 . 1 . 1 29 29 G N1 N 15 147.463 . . 1 . . . . . 29573 G N1 . 50342 1
48 . 1 . 1 30 30 U H3 H 1 14.4293 . . 1 . . . . . 29574 U H3 . 50342 1
49 . 1 . 1 30 30 U N1 N 15 145.945 . . 1 . . . . . 29574 U N1 . 50342 1
50 . 1 . 1 30 30 U N3 N 15 162.94 . . 1 . . . . . 29574 U N3 . 50342 1
51 . 1 . 1 31 31 U H3 H 1 11.1036 . . 5 . . . . . 29575 U H3 . 50342 1
52 . 1 . 1 31 31 U N1 N 15 145.588 . . 5 . . . . . 29575 U N1 . 50342 1
53 . 1 . 1 31 31 U N3 N 15 157.589 . . 5 . . . . . 29575 U N3 . 50342 1
54 . 1 . 1 32 32 U H3 H 1 11.2699 . . 5 . . . . . 29576 U H3 . 50342 1
55 . 1 . 1 32 32 U N1 N 15 146.588 . . 5 . . . . . 29576 U N1 . 50342 1
56 . 1 . 1 32 32 U N3 N 15 157.485 . . 5 . . . . . 29576 U N3 . 50342 1
57 . 1 . 1 33 33 U H3 H 1 10.7026 . . 5 . . . . . 29577 U H3 . 50342 1
58 . 1 . 1 33 33 U N1 N 15 148.395 . . 5 . . . . . 29577 U N1 . 50342 1
59 . 1 . 1 33 33 U N3 N 15 157.121 . . 5 . . . . . 29577 U N3 . 50342 1
60 . 1 . 1 34 34 C H41 H 1 8.38867 . . 1 . . . . . 29578 C H41 . 50342 1
61 . 1 . 1 34 34 C H42 H 1 7.216 . . 1 . . . . . 29578 C H42 . 50342 1
62 . 1 . 1 34 34 C N3 N 15 195.266 . . 1 . . . . . 29578 C N3 . 50342 1
63 . 1 . 1 34 34 C N4 N 15 99.5717 . . 1 . . . . . 29578 C N4 . 50342 1
64 . 1 . 1 43 43 G H1 H 1 12.9419 . . 1 . . . . . 29587 G H1 . 50342 1
65 . 1 . 1 43 43 G N1 N 15 147.548 . . 1 . . . . . 29587 G N1 . 50342 1
66 . 1 . 1 44 44 U H3 H 1 10.7026 . . 5 . . . . . 29588 U H3 . 50342 1
67 . 1 . 1 44 44 U N1 N 15 148.395 . . 5 . . . . . 29588 U N1 . 50342 1
68 . 1 . 1 44 44 U N3 N 15 157.121 . . 5 . . . . . 29588 U N3 . 50342 1
69 . 1 . 1 45 45 U H3 H 1 11.2699 . . 5 . . . . . 29589 U H3 . 50342 1
70 . 1 . 1 45 45 U N1 N 15 146.588 . . 5 . . . . . 29589 U N1 . 50342 1
71 . 1 . 1 45 45 U N3 N 15 157.485 . . 5 . . . . . 29589 U N3 . 50342 1
72 . 1 . 1 46 46 U H3 H 1 11.1036 . . 5 . . . . . 29590 U H3 . 50342 1
73 . 1 . 1 46 46 U N1 N 15 145.588 . . 5 . . . . . 29590 U N1 . 50342 1
74 . 1 . 1 46 46 U N3 N 15 157.589 . . 5 . . . . . 29590 U N3 . 50342 1
75 . 1 . 1 47 47 A H2 H 1 7.954 . . 1 . . . . . 29591 A H2 . 50342 1
76 . 1 . 1 47 47 A N1 N 15 221.83 . . 1 . . . . . 29591 A N1 . 50342 1
77 . 1 . 1 48 48 C H41 H 1 8.2865 . . 1 . . . . . 29592 C H41 . 50342 1
78 . 1 . 1 48 48 C H42 H 1 6.7265 . . 1 . . . . . 29592 C H42 . 50342 1
79 . 1 . 1 48 48 C N3 N 15 196.334 . . 1 . . . . . 29592 C N3 . 50342 1
80 . 1 . 1 48 48 C N4 N 15 97.8075 . . 1 . . . . . 29592 C N4 . 50342 1
81 . 1 . 1 52 52 A H2 H 1 6.909 . . 5 . . . . . 29596 A H2 . 50342 1
82 . 1 . 1 52 52 A N1 N 15 221.822 . . 5 . . . . . 29596 A N1 . 50342 1
83 . 1 . 1 53 53 U H3 H 1 13.0844 . . 5 . . . . . 29597 U H3 . 50342 1
84 . 1 . 1 53 53 U N3 N 15 161.478 . . 5 . . . . . 29597 U N3 . 50342 1
85 . 1 . 1 54 54 A H2 H 1 6.909 . . 5 . . . . . 29598 A H2 . 50342 1
86 . 1 . 1 54 54 A N1 N 15 221.822 . . 5 . . . . . 29598 A N1 . 50342 1
87 . 1 . 1 55 55 U H3 H 1 13.0844 . . 5 . . . . . 29599 U H3 . 50342 1
88 . 1 . 1 55 55 U N3 N 15 161.478 . . 5 . . . . . 29599 U N3 . 50342 1
89 . 1 . 1 56 56 A H2 H 1 6.69667 . . 1 . . . . . 29600 A H2 . 50342 1
90 . 1 . 1 56 56 A N1 N 15 220.067 . . 1 . . . . . 29600 A N1 . 50342 1
91 . 1 . 1 56 56 A N3 N 15 212.022 . . 1 . . . . . 29600 A N3 . 50342 1
92 . 1 . 1 57 57 G H1 H 1 13.4047 . . 1 . . . . . 29601 G H1 . 50342 1
93 . 1 . 1 57 57 G H21 H 1 6.185 . . 2 . . . . . 29601 G H21 . 50342 1
94 . 1 . 1 57 57 G H22 H 1 6.185 . . 2 . . . . . 29601 G H22 . 50342 1
95 . 1 . 1 57 57 G N1 N 15 148.063 . . 1 . . . . . 29601 G N1 . 50342 1
96 . 1 . 1 57 57 G N2 N 15 72.776 . . 1 . . . . . 29601 G N2 . 50342 1
97 . 1 . 1 58 58 U H3 H 1 12.1764 . . 1 . . . . . 29602 U H3 . 50342 1
98 . 1 . 1 58 58 U N3 N 15 158.758 . . 1 . . . . . 29602 U N3 . 50342 1
99 . 1 . 1 59 59 C H41 H 1 8.333 . . 1 . . . . . 29603 C H41 . 50342 1
100 . 1 . 1 59 59 C H42 H 1 7.286 . . 1 . . . . . 29603 C H42 . 50342 1
101 . 1 . 1 59 59 C N3 N 15 196.295 . . 1 . . . . . 29603 C N3 . 50342 1
102 . 1 . 1 59 59 C N4 N 15 98.719 . . 1 . . . . . 29603 C N4 . 50342 1
103 . 1 . 1 60 60 U H3 H 1 11.7137 . . 1 . . . . . 29604 U H3 . 50342 1
104 . 1 . 1 60 60 U N3 N 15 157.572 . . 1 . . . . . 29604 U N3 . 50342 1
105 . 1 . 1 65 65 U H3 H 1 13.861 . . 1 . . . . . 29609 U H3 . 50342 1
106 . 1 . 1 65 65 U N3 N 15 162.291 . . 1 . . . . . 29609 U N3 . 50342 1
107 . 1 . 1 66 66 U H1' H 1 5.589 . . 1 . . . . . 29610 U H1' . 50342 1
108 . 1 . 1 66 66 U H3 H 1 13.1933 . . 1 . . . . . 29610 U H3 . 50342 1
109 . 1 . 1 66 66 U H5 H 1 5.033 . . 1 . . . . . 29610 U H5 . 50342 1
110 . 1 . 1 66 66 U H6 H 1 7.71033 . . 1 . . . . . 29610 U H6 . 50342 1
111 . 1 . 1 66 66 U N3 N 15 162.464 . . 1 . . . . . 29610 U N3 . 50342 1
112 . 1 . 1 67 67 G H1 H 1 12.4461 . . 1 . . . . . 29611 G H1 . 50342 1
113 . 1 . 1 67 67 G H1' H 1 5.711 . . 5 . . . . . 29611 G H1' . 50342 1
114 . 1 . 1 67 67 G N1 N 15 147.285 . . 1 . . . . . 29611 G N1 . 50342 1
115 . 1 . 1 68 68 U H3 H 1 13.5644 . . 1 . . . . . 29612 U H3 . 50342 1
116 . 1 . 1 68 68 U N1 N 15 145.164 . . 1 . . . . . 29612 U N1 . 50342 1
117 . 1 . 1 68 68 U N3 N 15 162.08 . . 1 . . . . . 29612 U N3 . 50342 1
118 . 1 . 1 69 69 G H1 H 1 12.5148 . . 1 . . . . . 29613 G H1 . 50342 1
119 . 1 . 1 69 69 G N1 N 15 147.923 . . 1 . . . . . 29613 G N1 . 50342 1
120 . 1 . 1 70 70 C H41 H 1 8.517 . . 1 . . . . . 29614 C H41 . 50342 1
121 . 1 . 1 70 70 C N3 N 15 197.326 . . 1 . . . . . 29614 C N3 . 50342 1
122 . 1 . 1 70 70 C N4 N 15 99.069 . . 1 . . . . . 29614 C N4 . 50342 1
123 . 1 . 1 72 72 C H41 H 1 8.483 . . 1 . . . . . 1 C H41 . 50342 1
124 . 1 . 1 72 72 C H42 H 1 6.878 . . 1 . . . . . 1 C H42 . 50342 1
125 . 1 . 1 72 72 C N3 N 15 197.004 . . 1 . . . . . 1 C N3 . 50342 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 38 50342 1
1 42 50342 1
1 81 50342 1
1 85 50342 1
2 39 50342 1
2 43 50342 1
2 82 50342 1
2 86 50342 1
3 40 50342 1
3 44 50342 1
3 51 50342 1
3 54 50342 1
3 57 50342 1
3 66 50342 1
3 69 50342 1
3 72 50342 1
3 83 50342 1
3 87 50342 1
4 41 50342 1
4 45 50342 1
4 53 50342 1
4 56 50342 1
4 59 50342 1
4 68 50342 1
4 71 50342 1
4 74 50342 1
4 84 50342 1
4 88 50342 1
5 52 50342 1
5 55 50342 1
5 58 50342 1
5 67 50342 1
5 70 50342 1
5 73 50342 1
6 113 50342 1
stop_
save_