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 20112
_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' . . . 20112 1
2 '2D 1H-1H TOCSY' . . . 20112 1
3 '2D 1H-1H NOESY' . . . 20112 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 $Felix . . 20112 1
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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 1 1 LYS HA H 1 3.90 . . 1 . . . . 1 LYS HA . 20112 1
2 . 1 1 1 1 LYS HB2 H 1 1.80 . . . . . . . 1 LYS HB2 . 20112 1
3 . 1 1 1 1 LYS HD2 H 1 1.58 . . . . . . . 1 LYS HD2 . 20112 1
4 . 1 1 1 1 LYS HE2 H 1 2.88 . . . . . . . 1 LYS HE2 . 20112 1
5 . 1 1 1 1 LYS HG2 H 1 1.31 . . . . . . . 1 LYS HG2 . 20112 1
6 . 1 1 1 1 LYS HZ1 H 1 7.42 . . 1 . . . . 1 LYS QZ . 20112 1
7 . 1 1 1 1 LYS HZ2 H 1 7.42 . . 1 . . . . 1 LYS QZ . 20112 1
8 . 1 1 1 1 LYS HZ3 H 1 7.42 . . 1 . . . . 1 LYS QZ . 20112 1
9 . 1 1 2 2 ASP H H 1 8.82 . . 1 . . . . 2 ASP H . 20112 1
10 . 1 1 2 2 ASP HA H 1 4.64 . . 1 . . . . 2 ASP HA . 20112 1
11 . 1 1 2 2 ASP HB2 H 1 2.68 . . . . . . . 2 ASP HB2 . 20112 1
12 . 1 1 2 2 ASP HB3 H 1 2.80 . . . . . . . 2 ASP HB3 . 20112 1
13 . 1 1 3 3 THR H H 1 8.27 . . 1 . . . . 3 THR H . 20112 1
14 . 1 1 3 3 THR HA H 1 4.21 . . 1 . . . . 3 THR HA . 20112 1
15 . 1 1 3 3 THR HB H 1 4.07 . . 1 . . . . 3 THR HB . 20112 1
16 . 1 1 3 3 THR HG21 H 1 1.08 . . 1 . . . . 3 THR HG1 . 20112 1
17 . 1 1 3 3 THR HG22 H 1 1.08 . . 1 . . . . 3 THR HG1 . 20112 1
18 . 1 1 3 3 THR HG23 H 1 1.08 . . 1 . . . . 3 THR HG1 . 20112 1
19 . 1 1 4 4 ILE H H 1 8.09 . . 1 . . . . 4 ILE H . 20112 1
20 . 1 1 4 4 ILE HA H 1 4.03 . . 1 . . . . 4 ILE HA . 20112 1
21 . 1 1 4 4 ILE HB H 1 1.74 . . 1 . . . . 4 ILE HB . 20112 1
22 . 1 1 4 4 ILE HD11 H 1 0.70 . . 1 . . . . 4 ILE MD . 20112 1
23 . 1 1 4 4 ILE HD12 H 1 0.70 . . 1 . . . . 4 ILE MD . 20112 1
24 . 1 1 4 4 ILE HD13 H 1 0.70 . . 1 . . . . 4 ILE MD . 20112 1
25 . 1 1 4 4 ILE HG12 H 1 1.08 . . . . . . . 4 ILE HG12 . 20112 1
26 . 1 1 4 4 ILE HG13 H 1 1.35 . . . . . . . 4 ILE HG13 . 20112 1
27 . 1 1 4 4 ILE HG21 H 1 0.76 . . 1 . . . . 4 ILE MG . 20112 1
28 . 1 1 4 4 ILE HG22 H 1 0.76 . . 1 . . . . 4 ILE MG . 20112 1
29 . 1 1 4 4 ILE HG23 H 1 0.76 . . 1 . . . . 4 ILE MG . 20112 1
30 . 1 1 5 5 LEU H H 1 8.13 . . 1 . . . . 5 LEU H . 20112 1
31 . 1 1 5 5 LEU HA H 1 4.21 . . 1 . . . . 5 LEU HA . 20112 1
32 . 1 1 5 5 LEU HB2 H 1 1.49 . . . . . . . 5 LEU HB2 . 20112 1
33 . 1 1 5 5 LEU HD11 H 1 0.74 . . . . . . . 5 LEU MD1 . 20112 1
34 . 1 1 5 5 LEU HD12 H 1 0.74 . . . . . . . 5 LEU MD1 . 20112 1
35 . 1 1 5 5 LEU HD13 H 1 0.74 . . . . . . . 5 LEU MD1 . 20112 1
36 . 1 1 5 5 LEU HD21 H 1 0.80 . . . . . . . 5 LEU MD2 . 20112 1
37 . 1 1 5 5 LEU HD22 H 1 0.80 . . . . . . . 5 LEU MD2 . 20112 1
38 . 1 1 5 5 LEU HD23 H 1 0.80 . . . . . . . 5 LEU MD2 . 20112 1
39 . 1 1 5 5 LEU HG H 1 1.45 . . 1 . . . . 5 LEU HG . 20112 1
40 . 1 1 6 6 GLN H H 1 8.18 . . 1 . . . . 6 GLN H . 20112 1
41 . 1 1 6 6 GLN HA H 1 4.19 . . 1 . . . . 6 GLN HA . 20112 1
42 . 1 1 6 6 GLN HB2 H 1 1.86 . . . . . . . 6 GLN HB2 . 20112 1
43 . 1 1 6 6 GLN HB3 H 1 1.94 . . . . . . . 6 GLN HB3 . 20112 1
44 . 1 1 6 6 GLN HG2 H 1 2.21 . . . . . . . 6 GLN HG2 . 20112 1
45 . 1 1 7 7 LEU H H 1 8.10 . . 1 . . . . 7 LEU H . 20112 1
46 . 1 1 7 7 LEU HA H 1 4.17 . . 1 . . . . 7 LEU HA . 20112 1
47 . 1 1 7 7 LEU HB2 H 1 1.51 . . . . . . . 7 LEU HB2 . 20112 1
48 . 1 1 7 7 LEU HD11 H 1 0.72 . . . . . . . 7 LEU MD1 . 20112 1
49 . 1 1 7 7 LEU HD12 H 1 0.72 . . . . . . . 7 LEU MD1 . 20112 1
50 . 1 1 7 7 LEU HD13 H 1 0.72 . . . . . . . 7 LEU MD1 . 20112 1
51 . 1 1 7 7 LEU HD21 H 1 0.77 . . . . . . . 7 LEU MD2 . 20112 1
52 . 1 1 7 7 LEU HD22 H 1 0.77 . . . . . . . 7 LEU MD2 . 20112 1
53 . 1 1 7 7 LEU HD23 H 1 0.77 . . . . . . . 7 LEU MD2 . 20112 1
54 . 1 1 7 7 LEU HG H 1 1.43 . . 1 . . . . 7 LEU HG . 20112 1
55 . 1 1 8 8 ASN H H 1 8.31 . . 1 . . . . 8 ASN H . 20112 1
56 . 1 1 8 8 ASN HA H 1 4.56 . . 1 . . . . 8 ASN HA . 20112 1
57 . 1 1 8 8 ASN HB2 H 1 2.64 . . . . . . . 8 ASN HB2 . 20112 1
58 . 1 1 8 8 ASN HB3 H 1 2.74 . . . . . . . 8 ASN HB3 . 20112 1
59 . 1 1 9 9 LEU H H 1 7.98 . . 1 . . . . 9 LEU H . 20112 1
60 . 1 1 9 9 LEU HA H 1 4.17 . . 1 . . . . 9 LEU HA . 20112 1
61 . 1 1 9 9 LEU HB2 H 1 1.53 . . . . . . . 9 LEU HB2 . 20112 1
62 . 1 1 9 9 LEU HD11 H 1 0.74 . . . . . . . 9 LEU MD1 . 20112 1
63 . 1 1 9 9 LEU HD12 H 1 0.74 . . . . . . . 9 LEU MD1 . 20112 1
64 . 1 1 9 9 LEU HD13 H 1 0.74 . . . . . . . 9 LEU MD1 . 20112 1
65 . 1 1 9 9 LEU HD21 H 1 0.80 . . . . . . . 9 LEU MD2 . 20112 1
66 . 1 1 9 9 LEU HD22 H 1 0.80 . . . . . . . 9 LEU MD2 . 20112 1
67 . 1 1 9 9 LEU HD23 H 1 0.80 . . . . . . . 9 LEU MD2 . 20112 1
68 . 1 1 9 9 LEU HG H 1 1.49 . . 1 . . . . 9 LEU HG . 20112 1
69 . 1 1 10 10 LYS H H 1 8.07 . . 1 . . . . 10 LYS H . 20112 1
70 . 1 1 10 10 LYS HA H 1 4.11 . . 1 . . . . 10 LYS HA . 20112 1
71 . 1 1 10 10 LYS HB2 H 1 1.62 . . . . . . . 10 LYS HB2 . 20112 1
72 . 1 1 10 10 LYS HD2 H 1 1.29 . . . . . . . 10 LYS HD2 . 20112 1
73 . 1 1 10 10 LYS HE2 H 1 2.84 . . . . . . . 10 LYS HE2 . 20112 1
74 . 1 1 10 10 LYS HG2 H 1 1.23 . . . . . . . 10 LYS HG2 . 20112 1
75 . 1 1 10 10 LYS HZ1 H 1 7.39 . . 1 . . . . 10 LYS QZ . 20112 1
76 . 1 1 10 10 LYS HZ2 H 1 7.39 . . 1 . . . . 10 LYS QZ . 20112 1
77 . 1 1 10 10 LYS HZ3 H 1 7.39 . . 1 . . . . 10 LYS QZ . 20112 1
78 . 1 1 11 11 GLU H H 1 7.93 . . 1 . . . . 11 GLU H . 20112 1
79 . 1 1 11 11 GLU HA H 1 4.17 . . 1 . . . . 11 GLU HA . 20112 1
80 . 1 1 11 11 GLU HB2 H 1 1.78 . . . . . . . 11 GLU HB2 . 20112 1
81 . 1 1 11 11 GLU HB3 H 1 1.86 . . . . . . . 11 GLU HB3 . 20112 1
82 . 1 1 11 11 GLU HG2 H 1 2.17 . . . . . . . 11 GLU HG2 . 20112 1
83 . 1 1 11 11 GLU HG3 H 1 2.23 . . . . . . . 11 GLU HG3 . 20112 1
84 . 1 1 12 12 TYR H H 1 7.98 . . 1 . . . . 12 TYR H . 20112 1
85 . 1 1 12 12 TYR HA H 1 4.42 . . 1 . . . . 12 TYR HA . 20112 1
86 . 1 1 12 12 TYR HB2 H 1 2.80 . . . . . . . 12 TYR HB2 . 20112 1
87 . 1 1 12 12 TYR HB3 H 1 2.95 . . . . . . . 12 TYR HB3 . 20112 1
88 . 1 1 12 12 TYR HD1 H 1 6.99 . . . . . . . 12 TYR HD1 . 20112 1
89 . 1 1 12 12 TYR HE1 H 1 6.68 . . . . . . . 12 TYR HE1 . 20112 1
90 . 1 1 13 13 ASN H H 1 8.16 . . 1 . . . . 13 ASN H . 20112 1
91 . 1 1 13 13 ASN HA H 1 4.52 . . 1 . . . . 13 ASN HA . 20112 1
92 . 1 1 13 13 ASN HB2 H 1 2.56 . . . . . . . 13 ASN HB2 . 20112 1
93 . 1 1 13 13 ASN HB3 H 1 2.66 . . . . . . . 13 ASN HB3 . 20112 1
94 . 1 1 14 14 LEU H H 1 7.98 . . 1 . . . . 14 LEU H . 20112 1
95 . 1 1 14 14 LEU HA H 1 4.23 . . 1 . . . . 14 LEU HA . 20112 1
96 . 1 1 14 14 LEU HB2 H 1 1.53 . . . . . . . 14 LEU HB2 . 20112 1
97 . 1 1 14 14 LEU HD11 H 1 0.74 . . . . . . . 14 LEU MD1 . 20112 1
98 . 1 1 14 14 LEU HD12 H 1 0.74 . . . . . . . 14 LEU MD1 . 20112 1
99 . 1 1 14 14 LEU HD13 H 1 0.74 . . . . . . . 14 LEU MD1 . 20112 1
100 . 1 1 14 14 LEU HD21 H 1 0.80 . . . . . . . 14 LEU MD2 . 20112 1
101 . 1 1 14 14 LEU HD22 H 1 0.80 . . . . . . . 14 LEU MD2 . 20112 1
102 . 1 1 14 14 LEU HD23 H 1 0.80 . . . . . . . 14 LEU MD2 . 20112 1
103 . 1 1 14 14 LEU HG H 1 1.49 . . 1 . . . . 14 LEU HG . 20112 1
104 . 1 1 15 15 VAL H H 1 7.87 . . 1 . . . . 15 VAL H . 20112 1
105 . 1 1 15 15 VAL HA H 1 3.95 . . 1 . . . . 15 VAL HA . 20112 1
106 . 1 1 15 15 VAL HB H 1 1.94 . . 1 . . . . 15 VAL HB . 20112 1
107 . 1 1 15 15 VAL HG11 H 1 0.81 . . . . . . . 15 VAL MG1 . 20112 1
108 . 1 1 15 15 VAL HG12 H 1 0.81 . . . . . . . 15 VAL MG1 . 20112 1
109 . 1 1 15 15 VAL HG13 H 1 0.81 . . . . . . . 15 VAL MG1 . 20112 1
110 . 1 1 15 15 VAL HG21 H 1 0.82 . . . . . . . 15 VAL MG2 . 20112 1
111 . 1 1 15 15 VAL HG22 H 1 0.82 . . . . . . . 15 VAL MG2 . 20112 1
112 . 1 1 15 15 VAL HG23 H 1 0.82 . . . . . . . 15 VAL MG2 . 20112 1
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save_