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 51041
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name erdc
_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 .
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_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' . . . 51041 1
2 '2D 1H-1H NOESY' . . . 51041 1
3 '2D 1H-15N HSQC' . . . 51041 1
4 '2D 1H-13C HSQC' . . . 51041 1
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_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 . . 51041 1
2 $software_2 . . 51041 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_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 GLU HA H 1 4.09 0.01 . 1 . . . . . 1 GLU HA . 51041 1
2 . 1 . 1 1 1 GLU CA C 13 55.14 0.3 . 1 . . . . . 1 GLU CA . 51041 1
3 . 1 . 1 2 2 LYS H H 1 8.80 0.01 . 1 . . . . . 2 LYS H . 51041 1
4 . 1 . 1 2 2 LYS HA H 1 4.36 0.01 . 1 . . . . . 2 LYS HA . 51041 1
5 . 1 . 1 2 2 LYS CA C 13 56.52 0.3 . 1 . . . . . 2 LYS CA . 51041 1
6 . 1 . 1 2 2 LYS N N 15 124.71 0.3 . 1 . . . . . 2 LYS N . 51041 1
7 . 1 . 1 3 3 LYS H H 1 8.53 0.01 . 1 . . . . . 3 LYS H . 51041 1
8 . 1 . 1 3 3 LYS HA H 1 4.32 0.01 . 1 . . . . . 3 LYS HA . 51041 1
9 . 1 . 1 3 3 LYS CA C 13 56.52 0.3 . 1 . . . . . 3 LYS CA . 51041 1
10 . 1 . 1 3 3 LYS N N 15 124.00 0.3 . 1 . . . . . 3 LYS N . 51041 1
11 . 1 . 1 4 4 GLY H H 1 8.49 0.01 . 1 . . . . . 4 GLY H . 51041 1
12 . 1 . 1 4 4 GLY HA2 H 1 3.99 0.01 . 1 . . . . . 4 GLY HA2 . 51041 1
13 . 1 . 1 4 4 GLY HA3 H 1 3.92 0.01 . 1 . . . . . 4 GLY HA3 . 51041 1
14 . 1 . 1 4 4 GLY CA C 13 45.25 0.3 . 1 . . . . . 4 GLY CA . 51041 1
15 . 1 . 1 4 4 GLY N N 15 110.73 0.3 . 1 . . . . . 4 GLY N . 51041 1
16 . 1 . 1 5 5 ILE H H 1 8.01 0.01 . 1 . . . . . 5 ILE H . 51041 1
17 . 1 . 1 5 5 ILE HA H 1 4.16 0.01 . 1 . . . . . 5 ILE HA . 51041 1
18 . 1 . 1 5 5 ILE CA C 13 61.17 0.3 . 1 . . . . . 5 ILE CA . 51041 1
19 . 1 . 1 5 5 ILE N N 15 120.23 0.3 . 1 . . . . . 5 ILE N . 51041 1
20 . 1 . 1 6 6 LEU H H 1 8.33 0.01 . 1 . . . . . 6 LEU H . 51041 1
21 . 1 . 1 6 6 LEU HA H 1 4.36 0.01 . 1 . . . . . 6 LEU HA . 51041 1
22 . 1 . 1 6 6 LEU CA C 13 55.22 0.3 . 1 . . . . . 6 LEU CA . 51041 1
23 . 1 . 1 6 6 LEU N N 15 126.28 0.3 . 1 . . . . . 6 LEU N . 51041 1
24 . 1 . 1 7 7 GLU H H 1 8.30 0.01 . 1 . . . . . 7 GLU H . 51041 1
25 . 1 . 1 7 7 GLU HA H 1 4.34 0.01 . 1 . . . . . 7 GLU HA . 51041 1
26 . 1 . 1 7 7 GLU CA C 13 55.80 0.3 . 1 . . . . . 7 GLU CA . 51041 1
27 . 1 . 1 7 7 GLU N N 15 122.16 0.3 . 1 . . . . . 7 GLU N . 51041 1
28 . 1 . 1 8 8 LYS H H 1 8.34 0.01 . 1 . . . . . 8 LYS H . 51041 1
29 . 1 . 1 8 8 LYS HA H 1 4.29 0.01 . 1 . . . . . 8 LYS HA . 51041 1
30 . 1 . 1 8 8 LYS CA C 13 56.49 0.3 . 1 . . . . . 8 LYS CA . 51041 1
31 . 1 . 1 8 8 LYS N N 15 123.03 0.3 . 1 . . . . . 8 LYS N . 51041 1
32 . 1 . 1 9 9 ILE H H 1 8.12 0.01 . 1 . . . . . 9 ILE H . 51041 1
33 . 1 . 1 9 9 ILE HA H 1 4.12 0.01 . 1 . . . . . 9 ILE HA . 51041 1
34 . 1 . 1 9 9 ILE CA C 13 61.16 0.3 . 1 . . . . . 9 ILE CA . 51041 1
35 . 1 . 1 9 9 ILE N N 15 122.25 0.3 . 1 . . . . . 9 ILE N . 51041 1
36 . 1 . 1 10 10 LYS H H 1 8.39 0.01 . 1 . . . . . 10 LYS H . 51041 1
37 . 1 . 1 10 10 LYS HA H 1 4.29 0.01 . 1 . . . . . 10 LYS HA . 51041 1
38 . 1 . 1 10 10 LYS CA C 13 56.43 0.3 . 1 . . . . . 10 LYS CA . 51041 1
39 . 1 . 1 10 10 LYS N N 15 125.85 0.3 . 1 . . . . . 10 LYS N . 51041 1
40 . 1 . 1 11 11 GLU H H 1 8.28 0.01 . 1 . . . . . 11 GLU H . 51041 1
41 . 1 . 1 11 11 GLU HA H 1 4.33 0.01 . 1 . . . . . 11 GLU HA . 51041 1
42 . 1 . 1 11 11 GLU CA C 13 55.73 0.3 . 1 . . . . . 11 GLU CA . 51041 1
43 . 1 . 1 11 11 GLU N N 15 122.20 0.3 . 1 . . . . . 11 GLU N . 51041 1
44 . 1 . 1 12 12 LYS H H 1 8.39 0.01 . 1 . . . . . 12 LYS H . 51041 1
45 . 1 . 1 12 12 LYS HA H 1 4.29 0.01 . 1 . . . . . 12 LYS HA . 51041 1
46 . 1 . 1 12 12 LYS CA C 13 56.45 0.3 . 1 . . . . . 12 LYS CA . 51041 1
47 . 1 . 1 12 12 LYS N N 15 123.41 0.3 . 1 . . . . . 12 LYS N . 51041 1
48 . 1 . 1 13 13 LEU H H 1 8.33 0.01 . 1 . . . . . 13 LEU H . 51041 1
49 . 1 . 1 13 13 LEU HA H 1 4.64 0.01 . 1 . . . . . 13 LEU HA . 51041 1
50 . 1 . 1 13 13 LEU CA C 13 53.04 0.3 . 1 . . . . . 13 LEU CA . 51041 1
51 . 1 . 1 13 13 LEU N N 15 125.60 0.3 . 1 . . . . . 13 LEU N . 51041 1
52 . 1 . 1 14 14 PRO HA H 1 4.41 0.01 . 1 . . . . . 14 PRO HA . 51041 1
53 . 1 . 1 14 14 PRO CA C 13 63.54 0.3 . 1 . . . . . 14 PRO CA . 51041 1
54 . 1 . 1 15 15 GLY H H 1 8.45 0.01 . 1 . . . . . 15 GLY H . 51041 1
55 . 1 . 1 15 15 GLY HA2 H 1 3.93 0.01 . 2 . . . . . 15 GLY HA2 . 51041 1
56 . 1 . 1 15 15 GLY HA3 H 1 3.93 0.01 . 2 . . . . . 15 GLY HA3 . 51041 1
57 . 1 . 1 15 15 GLY CA C 13 44.93 0.3 . 1 . . . . . 15 GLY CA . 51041 1
58 . 1 . 1 15 15 GLY N N 15 110.39 0.3 . 1 . . . . . 15 GLY N . 51041 1
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