Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15640
_Assigned_chem_shift_list.ID 1
_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 $chemical_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 DQF-COSY' . . . 15640 1
2 '2D 1H-1H TOCSY' . . . 15640 1
3 '2D 1H-1H NOESY' . . . 15640 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 $DELTA . . 15640 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.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 2 2 ASP H H 1 8.39 0.02 . 1 . . . . 1 ASP H . 15640 1
2 . 1 1 2 2 ASP HA H 1 4.62 0.02 . 1 . . . . 1 ASP HA . 15640 1
3 . 1 1 2 2 ASP HB2 H 1 2.65 0.02 . 2 . . . . 1 ASP HB2 . 15640 1
4 . 1 1 2 2 ASP HB3 H 1 2.73 0.02 . 2 . . . . 1 ASP HB3 . 15640 1
5 . 1 1 3 3 SER H H 1 8.65 0.02 . 1 . . . . 2 SER H . 15640 1
6 . 1 1 3 3 SER HA H 1 4.44 0.02 . 1 . . . . 2 SER HA . 15640 1
7 . 1 1 3 3 SER HB2 H 1 3.88 0.02 . 2 . . . . 2 SER HB2 . 15640 1
8 . 1 1 3 3 SER HB3 H 1 3.95 0.02 . 2 . . . . 2 SER HB3 . 15640 1
9 . 1 1 4 4 SER H H 1 8.58 0.02 . 1 . . . . 3 SER H . 15640 1
10 . 1 1 4 4 SER HA H 1 4.31 0.02 . 1 . . . . 3 SER HA . 15640 1
11 . 1 1 4 4 SER HB2 H 1 3.87 0.02 . 2 . . . . 3 SER HB2 . 15640 1
12 . 1 1 4 4 SER HB3 H 1 3.90 0.02 . 2 . . . . 3 SER HB3 . 15640 1
13 . 1 1 5 5 LEU H H 1 8.16 0.02 . 1 . . . . 4 LEU H . 15640 1
14 . 1 1 5 5 LEU HA H 1 4.38 0.02 . 1 . . . . 4 LEU HA . 15640 1
15 . 1 1 5 5 LEU HB2 H 1 1.70 0.02 . 4 . . . . 4 LEU HB2 . 15640 1
16 . 1 1 5 5 LEU HB3 H 1 1.70 0.02 . 4 . . . . 4 LEU HB3 . 15640 1
17 . 1 1 5 5 LEU HD11 H 1 0.84 0.02 . 2 . . . . 4 LEU HD1 . 15640 1
18 . 1 1 5 5 LEU HD12 H 1 0.84 0.02 . 2 . . . . 4 LEU HD1 . 15640 1
19 . 1 1 5 5 LEU HD13 H 1 0.84 0.02 . 2 . . . . 4 LEU HD1 . 15640 1
20 . 1 1 5 5 LEU HD21 H 1 0.93 0.02 . 2 . . . . 4 LEU HD2 . 15640 1
21 . 1 1 5 5 LEU HD22 H 1 0.93 0.02 . 2 . . . . 4 LEU HD2 . 15640 1
22 . 1 1 5 5 LEU HD23 H 1 0.93 0.02 . 2 . . . . 4 LEU HD2 . 15640 1
23 . 1 1 5 5 LEU HG H 1 1.62 0.02 . 4 . . . . 4 LEU HG . 15640 1
24 . 1 1 6 6 THR H H 1 8.02 0.02 . 1 . . . . 5 THR H . 15640 1
25 . 1 1 6 6 THR HA H 1 4.27 0.02 . 1 . . . . 5 THR HA . 15640 1
26 . 1 1 6 6 THR HB H 1 4.27 0.02 . 1 . . . . 5 THR HB . 15640 1
27 . 1 1 6 6 THR HG21 H 1 1.20 0.02 . 1 . . . . 5 THR HG2 . 15640 1
28 . 1 1 6 6 THR HG22 H 1 1.20 0.02 . 1 . . . . 5 THR HG2 . 15640 1
29 . 1 1 6 6 THR HG23 H 1 1.20 0.02 . 1 . . . . 5 THR HG2 . 15640 1
30 . 1 1 7 7 ALA H H 1 8.30 0.02 . 1 . . . . 6 ALA H . 15640 1
31 . 1 1 7 7 ALA HA H 1 4.29 0.02 . 1 . . . . 6 ALA HA . 15640 1
32 . 1 1 7 7 ALA HB1 H 1 1.38 0.02 . 1 . . . . 6 ALA HB . 15640 1
33 . 1 1 7 7 ALA HB2 H 1 1.38 0.02 . 1 . . . . 6 ALA HB . 15640 1
34 . 1 1 7 7 ALA HB3 H 1 1.38 0.02 . 1 . . . . 6 ALA HB . 15640 1
35 . 1 1 8 8 GLY H H 1 8.64 0.02 . 1 . . . . 7 GLY H . 15640 1
36 . 1 1 8 8 GLY HA2 H 1 3.88 0.02 . 2 . . . . 7 GLY HA2 . 15640 1
37 . 1 1 8 8 GLY HA3 H 1 3.94 0.02 . 2 . . . . 7 GLY HA3 . 15640 1
38 . 1 1 9 9 TYR H H 1 8.20 0.02 . 1 . . . . 8 TYR H . 15640 1
39 . 1 1 9 9 TYR HA H 1 4.50 0.02 . 1 . . . . 8 TYR HA . 15640 1
40 . 1 1 9 9 TYR HB2 H 1 3.01 0.02 . 2 . . . . 8 TYR HB2 . 15640 1
41 . 1 1 9 9 TYR HB3 H 1 3.06 0.02 . 2 . . . . 8 TYR HB3 . 15640 1
42 . 1 1 9 9 TYR HD1 H 1 7.11 0.02 . 1 . . . . 8 TYR HD1 . 15640 1
43 . 1 1 9 9 TYR HD2 H 1 7.11 0.02 . 1 . . . . 8 TYR HD2 . 15640 1
44 . 1 1 9 9 TYR HE1 H 1 6.82 0.02 . 1 . . . . 8 TYR HE1 . 15640 1
45 . 1 1 9 9 TYR HE2 H 1 6.82 0.02 . 1 . . . . 8 TYR HE2 . 15640 1
46 . 1 1 10 10 GLY H H 1 8.54 0.02 . 1 . . . . 9 GLY H . 15640 1
47 . 1 1 10 10 GLY HA2 H 1 3.84 0.02 . 2 . . . . 9 GLY HA2 . 15640 1
48 . 1 1 10 10 GLY HA3 H 1 3.95 0.02 . 2 . . . . 9 GLY HA3 . 15640 1
49 . 1 1 11 11 SER H H 1 8.29 0.02 . 1 . . . . 10 SER H . 15640 1
50 . 1 1 11 11 SER HA H 1 4.51 0.02 . 1 . . . . 10 SER HA . 15640 1
51 . 1 1 11 11 SER HB2 H 1 3.88 0.02 . 2 . . . . 10 SER HB2 . 15640 1
52 . 1 1 11 11 SER HB3 H 1 3.93 0.02 . 2 . . . . 10 SER HB3 . 15640 1
53 . 1 1 12 12 THR H H 1 8.34 0.02 . 1 . . . . 11 THR H . 15640 1
54 . 1 1 12 12 THR HA H 1 4.36 0.02 . 1 . . . . 11 THR HA . 15640 1
55 . 1 1 12 12 THR HB H 1 4.28 0.02 . 1 . . . . 11 THR HB . 15640 1
56 . 1 1 12 12 THR HG21 H 1 1.22 0.02 . 1 . . . . 11 THR HG2 . 15640 1
57 . 1 1 12 12 THR HG22 H 1 1.22 0.02 . 1 . . . . 11 THR HG2 . 15640 1
58 . 1 1 12 12 THR HG23 H 1 1.22 0.02 . 1 . . . . 11 THR HG2 . 15640 1
59 . 1 1 13 13 GLN H H 1 8.49 0.02 . 1 . . . . 12 GLN H . 15640 1
60 . 1 1 13 13 GLN HA H 1 4.37 0.02 . 1 . . . . 12 GLN HA . 15640 1
61 . 1 1 13 13 GLN HB2 H 1 1.99 0.02 . 2 . . . . 12 GLN HB2 . 15640 1
62 . 1 1 13 13 GLN HB3 H 1 2.10 0.02 . 2 . . . . 12 GLN HB3 . 15640 1
63 . 1 1 13 13 GLN HE21 H 1 7.60 0.02 . 1 . . . . 12 GLN HE21 . 15640 1
64 . 1 1 13 13 GLN HE22 H 1 7.60 0.02 . 1 . . . . 12 GLN HE22 . 15640 1
65 . 1 1 13 13 GLN HG2 H 1 2.15 0.02 . 1 . . . . 12 GLN HG2 . 15640 1
66 . 1 1 13 13 GLN HG3 H 1 2.15 0.02 . 1 . . . . 12 GLN HG3 . 15640 1
67 . 1 1 14 14 THR H H 1 8.24 0.02 . 1 . . . . 13 THR H . 15640 1
68 . 1 1 14 14 THR HA H 1 4.25 0.02 . 1 . . . . 13 THR HA . 15640 1
69 . 1 1 14 14 THR HB H 1 4.28 0.02 . 1 . . . . 13 THR HB . 15640 1
70 . 1 1 14 14 THR HG21 H 1 1.21 0.02 . 1 . . . . 13 THR HG2 . 15640 1
71 . 1 1 14 14 THR HG22 H 1 1.21 0.02 . 1 . . . . 13 THR HG2 . 15640 1
72 . 1 1 14 14 THR HG23 H 1 1.21 0.02 . 1 . . . . 13 THR HG2 . 15640 1
73 . 1 1 15 15 ALA H H 1 8.40 0.02 . 1 . . . . 14 ALA H . 15640 1
74 . 1 1 15 15 ALA HA H 1 4.29 0.02 . 1 . . . . 14 ALA HA . 15640 1
75 . 1 1 15 15 ALA HB1 H 1 1.37 0.02 . 1 . . . . 14 ALA HB . 15640 1
76 . 1 1 15 15 ALA HB2 H 1 1.37 0.02 . 1 . . . . 14 ALA HB . 15640 1
77 . 1 1 15 15 ALA HB3 H 1 1.37 0.02 . 1 . . . . 14 ALA HB . 15640 1
78 . 1 1 16 16 ARG H H 1 8.42 0.02 . 1 . . . . 15 ARG H . 15640 1
79 . 1 1 16 16 ARG HA H 1 4.29 0.02 . 1 . . . . 15 ARG HA . 15640 1
80 . 1 1 16 16 ARG HB2 H 1 1.76 0.02 . 2 . . . . 15 ARG HB2 . 15640 1
81 . 1 1 16 16 ARG HB3 H 1 1.82 0.02 . 2 . . . . 15 ARG HB3 . 15640 1
82 . 1 1 16 16 ARG HD2 H 1 3.19 0.02 . 1 . . . . 15 ARG HD2 . 15640 1
83 . 1 1 16 16 ARG HD3 H 1 3.19 0.02 . 1 . . . . 15 ARG HD3 . 15640 1
84 . 1 1 16 16 ARG HE H 1 7.21 0.02 . 1 . . . . 15 ARG HE . 15640 1
85 . 1 1 16 16 ARG HG2 H 1 1.63 0.02 . 1 . . . . 15 ARG HG2 . 15640 1
86 . 1 1 16 16 ARG HG3 H 1 1.63 0.02 . 1 . . . . 15 ARG HG3 . 15640 1
87 . 1 1 17 17 LYS H H 1 8.58 0.02 . 1 . . . . 16 LYS H . 15640 1
88 . 1 1 17 17 LYS HA H 1 4.31 0.02 . 1 . . . . 16 LYS HA . 15640 1
89 . 1 1 17 17 LYS HB2 H 1 1.78 0.02 . 2 . . . . 16 LYS HB2 . 15640 1
90 . 1 1 17 17 LYS HB3 H 1 1.84 0.02 . 2 . . . . 16 LYS HB3 . 15640 1
91 . 1 1 17 17 LYS HD2 H 1 1.68 0.02 . 1 . . . . 16 LYS HD2 . 15640 1
92 . 1 1 17 17 LYS HD3 H 1 1.68 0.02 . 1 . . . . 16 LYS HD3 . 15640 1
93 . 1 1 17 17 LYS HE2 H 1 2.99 0.02 . 1 . . . . 16 LYS HE2 . 15640 1
94 . 1 1 17 17 LYS HE3 H 1 2.99 0.02 . 1 . . . . 16 LYS HE3 . 15640 1
95 . 1 1 17 17 LYS HG2 H 1 1.45 0.02 . 1 . . . . 16 LYS HG2 . 15640 1
96 . 1 1 17 17 LYS HG3 H 1 1.45 0.02 . 1 . . . . 16 LYS HG3 . 15640 1
97 . 1 1 17 17 LYS HZ1 H 1 7.60 0.02 . 1 . . . . 16 LYS HZ . 15640 1
98 . 1 1 17 17 LYS HZ2 H 1 7.60 0.02 . 1 . . . . 16 LYS HZ . 15640 1
99 . 1 1 17 17 LYS HZ3 H 1 7.60 0.02 . 1 . . . . 16 LYS HZ . 15640 1
100 . 1 1 18 18 GLY H H 1 8.42 0.02 . 1 . . . . 17 GLY H . 15640 1
101 . 1 1 18 18 GLY HA2 H 1 3.87 0.02 . 2 . . . . 17 GLY HA2 . 15640 1
102 . 1 1 18 18 GLY HA3 H 1 3.91 0.02 . 2 . . . . 17 GLY HA3 . 15640 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 15 15640 1
1 16 15640 1
1 23 15640 1
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save_