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 34215
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 '2D 1H-1H TOCSY' . . . 34215 1
2 '2D 1H-1H NOESY' . . . 34215 1
3 '2D DQF-COSY' . . . 34215 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.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 ACE H1 H 1 2.02 0.01 . 1 . . . . A 1 ACE H1 . 34215 1
2 . 1 1 2 2 ASP H H 1 8.31 0.01 . 1 . . . . A 2 ASP H . 34215 1
3 . 1 1 2 2 ASP HA H 1 4.89 0.01 . 1 . . . . A 2 ASP HA . 34215 1
4 . 1 1 2 2 ASP HB2 H 1 2.75 0.01 . 2 . . . . A 2 ASP HB2 . 34215 1
5 . 1 1 2 2 ASP HB3 H 1 2.67 0.01 . 2 . . . . A 2 ASP HB3 . 34215 1
6 . 1 1 3 3 PRO HA H 1 4.47 0.01 . 1 . . . . A 3 PRO HA . 34215 1
7 . 1 1 3 3 PRO HB2 H 1 2.40 0.01 . 2 . . . . A 3 PRO HB2 . 34215 1
8 . 1 1 3 3 PRO HB3 H 1 1.99 0.01 . 2 . . . . A 3 PRO HB3 . 34215 1
9 . 1 1 3 3 PRO HG2 H 1 2.09 0.01 . 1 . . . . A 3 PRO HG2 . 34215 1
10 . 1 1 3 3 PRO HG3 H 1 2.09 0.01 . 1 . . . . A 3 PRO HG3 . 34215 1
11 . 1 1 3 3 PRO HD2 H 1 4.00 0.01 . 2 . . . . A 3 PRO HD2 . 34215 1
12 . 1 1 3 3 PRO HD3 H 1 3.90 0.01 . 2 . . . . A 3 PRO HD3 . 34215 1
13 . 1 1 4 4 GLN H H 1 8.44 0.01 . 1 . . . . A 4 GLN H . 34215 1
14 . 1 1 4 4 GLN HA H 1 4.18 0.01 . 1 . . . . A 4 GLN HA . 34215 1
15 . 1 1 4 4 GLN HB2 H 1 2.12 0.01 . 1 . . . . A 4 GLN HB2 . 34215 1
16 . 1 1 4 4 GLN HB3 H 1 2.12 0.01 . 1 . . . . A 4 GLN HB3 . 34215 1
17 . 1 1 4 4 GLN HG2 H 1 2.40 0.01 . 2 . . . . A 4 GLN HG2 . 34215 1
18 . 1 1 4 4 GLN HG3 H 1 2.34 0.01 . 2 . . . . A 4 GLN HG3 . 34215 1
19 . 1 1 5 5 HIS H H 1 7.95 0.01 . 1 . . . . A 5 HIS H . 34215 1
20 . 1 1 5 5 HIS HA H 1 4.36 0.01 . 1 . . . . A 5 HIS HA . 34215 1
21 . 1 1 5 5 HIS HB2 H 1 3.19 0.01 . 1 . . . . A 5 HIS HB2 . 34215 1
22 . 1 1 5 5 HIS HB3 H 1 3.19 0.01 . 1 . . . . A 5 HIS HB3 . 34215 1
23 . 1 1 5 5 HIS HD1 H 1 7.05 0.01 . 1 . . . . A 5 HIS HD1 . 34215 1
24 . 1 1 5 5 HIS HE1 H 1 7.82 0.01 . 1 . . . . A 5 HIS HE1 . 34215 1
25 . 1 1 6 6 MK8 HB H 1 2.03 0.01 . 2 . . . . A 6 MK8 HB . 34215 1
26 . 1 1 6 6 MK8 HB1 H 1 1.43 0.01 . 1 . . . . A 6 MK8 HB1 . 34215 1
27 . 1 1 6 6 MK8 HB1A H 1 1.43 0.01 . 1 . . . . A 6 MK8 HB1A . 34215 1
28 . 1 1 6 6 MK8 HB1B H 1 1.43 0.01 . 1 . . . . A 6 MK8 HB1B . 34215 1
29 . 1 1 6 6 MK8 HBA H 1 1.97 0.01 . 2 . . . . A 6 MK8 HBA . 34215 1
30 . 1 1 6 6 MK8 HD H 1 1.98 0.01 . 2 . . . . A 6 MK8 HD . 34215 1
31 . 1 1 6 6 MK8 HDA H 1 1.74 0.01 . 2 . . . . A 6 MK8 HDA . 34215 1
32 . 1 1 6 6 MK8 HE H 1 5.46 0.01 . 1 . . . . A 6 MK8 HE . 34215 1
33 . 1 1 6 6 MK8 HG H 1 1.15 0.01 . 1 . . . . A 6 MK8 HG . 34215 1
34 . 1 1 6 6 MK8 HGA H 1 1.15 0.01 . 1 . . . . A 6 MK8 HGA . 34215 1
35 . 1 1 6 6 MK8 HN H 1 7.98 0.01 . 1 . . . . A 6 MK8 HN . 34215 1
36 . 1 1 7 7 ARG H H 1 8.14 0.01 . 1 . . . . A 7 ARG H . 34215 1
37 . 1 1 7 7 ARG HA H 1 3.96 0.01 . 1 . . . . A 7 ARG HA . 34215 1
38 . 1 1 7 7 ARG HB2 H 1 1.96 0.01 . 2 . . . . A 7 ARG HB2 . 34215 1
39 . 1 1 7 7 ARG HB3 H 1 1.92 0.01 . 2 . . . . A 7 ARG HB3 . 34215 1
40 . 1 1 7 7 ARG HG2 H 1 1.71 0.01 . 1 . . . . A 7 ARG HG2 . 34215 1
41 . 1 1 7 7 ARG HG3 H 1 1.71 0.01 . 1 . . . . A 7 ARG HG3 . 34215 1
42 . 1 1 7 7 ARG HD2 H 1 3.23 0.01 . 1 . . . . A 7 ARG HD2 . 34215 1
43 . 1 1 7 7 ARG HD3 H 1 3.23 0.01 . 1 . . . . A 7 ARG HD3 . 34215 1
44 . 1 1 8 8 LYS H H 1 7.69 0.01 . 1 . . . . A 8 LYS H . 34215 1
45 . 1 1 8 8 LYS HA H 1 4.03 0.01 . 1 . . . . A 8 LYS HA . 34215 1
46 . 1 1 8 8 LYS HB2 H 1 1.95 0.01 . 1 . . . . A 8 LYS HB2 . 34215 1
47 . 1 1 8 8 LYS HB3 H 1 1.95 0.01 . 1 . . . . A 8 LYS HB3 . 34215 1
48 . 1 1 8 8 LYS HG2 H 1 1.62 0.01 . 2 . . . . A 8 LYS HG2 . 34215 1
49 . 1 1 8 8 LYS HG3 H 1 1.43 0.01 . 2 . . . . A 8 LYS HG3 . 34215 1
50 . 1 1 8 8 LYS HD2 H 1 1.72 0.01 . 1 . . . . A 8 LYS HD2 . 34215 1
51 . 1 1 8 8 LYS HD3 H 1 1.72 0.01 . 1 . . . . A 8 LYS HD3 . 34215 1
52 . 1 1 8 8 LYS HE2 H 1 3.00 0.01 . 1 . . . . A 8 LYS HE2 . 34215 1
53 . 1 1 8 8 LYS HE3 H 1 3.00 0.01 . 1 . . . . A 8 LYS HE3 . 34215 1
54 . 1 1 9 9 LEU H H 1 7.48 0.01 . 1 . . . . A 9 LEU H . 34215 1
55 . 1 1 9 9 LEU HA H 1 4.08 0.01 . 1 . . . . A 9 LEU HA . 34215 1
56 . 1 1 9 9 LEU HB2 H 1 1.80 0.01 . 2 . . . . A 9 LEU HB2 . 34215 1
57 . 1 1 9 9 LEU HB3 H 1 1.61 0.01 . 2 . . . . A 9 LEU HB3 . 34215 1
58 . 1 1 9 9 LEU HG H 1 1.51 0.01 . 1 . . . . A 9 LEU HG . 34215 1
59 . 1 1 9 9 LEU HD11 H 1 0.84 0.01 . 2 . . . . A 9 LEU HD11 . 34215 1
60 . 1 1 9 9 LEU HD12 H 1 0.84 0.01 . 2 . . . . A 9 LEU HD12 . 34215 1
61 . 1 1 9 9 LEU HD13 H 1 0.84 0.01 . 2 . . . . A 9 LEU HD13 . 34215 1
62 . 1 1 9 9 LEU HD21 H 1 0.82 0.01 . 2 . . . . A 9 LEU HD21 . 34215 1
63 . 1 1 9 9 LEU HD22 H 1 0.82 0.01 . 2 . . . . A 9 LEU HD22 . 34215 1
64 . 1 1 9 9 LEU HD23 H 1 0.82 0.01 . 2 . . . . A 9 LEU HD23 . 34215 1
65 . 1 1 10 10 MK8 HB H 1 1.99 0.01 . 2 . . . . A 10 MK8 HB . 34215 1
66 . 1 1 10 10 MK8 HB1 H 1 1.46 0.01 . 1 . . . . A 10 MK8 HB1 . 34215 1
67 . 1 1 10 10 MK8 HB1A H 1 1.46 0.01 . 1 . . . . A 10 MK8 HB1A . 34215 1
68 . 1 1 10 10 MK8 HB1B H 1 1.46 0.01 . 1 . . . . A 10 MK8 HB1B . 34215 1
69 . 1 1 10 10 MK8 HBA H 1 1.62 0.01 . 2 . . . . A 10 MK8 HBA . 34215 1
70 . 1 1 10 10 MK8 HD H 1 2.10 0.01 . 2 . . . . A 10 MK8 HD . 34215 1
71 . 1 1 10 10 MK8 HDA H 1 1.73 0.01 . 2 . . . . A 10 MK8 HDA . 34215 1
72 . 1 1 10 10 MK8 HE H 1 5.55 0.01 . 1 . . . . A 10 MK8 HE . 34215 1
73 . 1 1 10 10 MK8 HG H 1 1.50 0.01 . 2 . . . . A 10 MK8 HG . 34215 1
74 . 1 1 10 10 MK8 HGA H 1 1.38 0.01 . 2 . . . . A 10 MK8 HGA . 34215 1
75 . 1 1 10 10 MK8 HN H 1 8.40 0.01 . 1 . . . . A 10 MK8 HN . 34215 1
76 . 1 1 11 11 GLN H H 1 7.91 0.01 . 1 . . . . A 11 GLN H . 34215 1
77 . 1 1 11 11 GLN HA H 1 4.04 0.01 . 1 . . . . A 11 GLN HA . 34215 1
78 . 1 1 11 11 GLN HB2 H 1 2.19 0.01 . 2 . . . . A 11 GLN HB2 . 34215 1
79 . 1 1 11 11 GLN HB3 H 1 2.16 0.01 . 2 . . . . A 11 GLN HB3 . 34215 1
80 . 1 1 11 11 GLN HG2 H 1 2.56 0.01 . 2 . . . . A 11 GLN HG2 . 34215 1
81 . 1 1 11 11 GLN HG3 H 1 2.46 0.01 . 2 . . . . A 11 GLN HG3 . 34215 1
82 . 1 1 12 12 ALA H H 1 7.69 0.01 . 1 . . . . A 12 ALA H . 34215 1
83 . 1 1 12 12 ALA HA H 1 4.27 0.01 . 1 . . . . A 12 ALA HA . 34215 1
84 . 1 1 12 12 ALA HB1 H 1 1.54 0.01 . 1 . . . . A 12 ALA HB1 . 34215 1
85 . 1 1 12 12 ALA HB2 H 1 1.54 0.01 . 1 . . . . A 12 ALA HB2 . 34215 1
86 . 1 1 12 12 ALA HB3 H 1 1.54 0.01 . 1 . . . . A 12 ALA HB3 . 34215 1
87 . 1 1 13 13 ALA H H 1 7.66 0.01 . 1 . . . . A 13 ALA H . 34215 1
88 . 1 1 13 13 ALA HA H 1 4.32 0.01 . 1 . . . . A 13 ALA HA . 34215 1
89 . 1 1 13 13 ALA HB1 H 1 1.50 0.01 . 1 . . . . A 13 ALA HB1 . 34215 1
90 . 1 1 13 13 ALA HB2 H 1 1.50 0.01 . 1 . . . . A 13 ALA HB2 . 34215 1
91 . 1 1 13 13 ALA HB3 H 1 1.50 0.01 . 1 . . . . A 13 ALA HB3 . 34215 1
92 . 1 1 14 14 ARG H H 1 7.84 0.01 . 1 . . . . A 14 ARG H . 34215 1
93 . 1 1 14 14 ARG HA H 1 4.29 0.01 . 1 . . . . A 14 ARG HA . 34215 1
94 . 1 1 14 14 ARG HB2 H 1 1.97 0.01 . 2 . . . . A 14 ARG HB2 . 34215 1
95 . 1 1 14 14 ARG HB3 H 1 1.84 0.01 . 2 . . . . A 14 ARG HB3 . 34215 1
96 . 1 1 14 14 ARG HG2 H 1 1.78 0.01 . 2 . . . . A 14 ARG HG2 . 34215 1
97 . 1 1 14 14 ARG HG3 H 1 1.72 0.01 . 2 . . . . A 14 ARG HG3 . 34215 1
98 . 1 1 14 14 ARG HD2 H 1 3.23 0.01 . 1 . . . . A 14 ARG HD2 . 34215 1
99 . 1 1 14 14 ARG HD3 H 1 3.23 0.01 . 1 . . . . A 14 ARG HD3 . 34215 1
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