Content for NMR-STAR saveframe, "chemical_shift_set_2"
save_chemical_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2
_Assigned_chem_shift_list.Entry_ID 5550
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $Condition_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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
. . 2 $sample_2 . 5550 2
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 3 3 SER N N 15 116.8 . . . . . . . . . . . 5550 2
2 . 1 1 3 3 SER H H 1 8.37 . . . . . . . . . . . 5550 2
3 . 1 1 4 4 LYS N N 15 124.1 . . . . . . . . . . . 5550 2
4 . 1 1 4 4 LYS H H 1 8.26 . . . . . . . . . . . 5550 2
5 . 1 1 6 6 ASP N N 15 119.9 . . . . . . . . . . . 5550 2
6 . 1 1 6 6 ASP H H 1 8.41 . . . . . . . . . . . 5550 2
7 . 1 1 7 7 ASN N N 15 120.1 . . . . . . . . . . . 5550 2
8 . 1 1 7 7 ASN H H 1 8.26 . . . . . . . . . . . 5550 2
9 . 1 1 9 9 GLY N N 15 108.3 . . . . . . . . . . . 5550 2
10 . 1 1 9 9 GLY H H 1 8.26 . . . . . . . . . . . 5550 2
11 . 1 1 10 10 GLU N N 15 119 . . . . . . . . . . . 5550 2
12 . 1 1 10 10 GLU H H 1 8.03 . . . . . . . . . . . 5550 2
13 . 1 1 11 11 ASP N N 15 119.4 . . . . . . . . . . . 5550 2
14 . 1 1 11 11 ASP H H 1 8.34 . . . . . . . . . . . 5550 2
15 . 1 1 12 12 ALA N N 15 124.7 . . . . . . . . . . . 5550 2
16 . 1 1 12 12 ALA H H 1 7.87 . . . . . . . . . . . 5550 2
17 . 1 1 14 14 ALA N N 15 123.5 . . . . . . . . . . . 5550 2
18 . 1 1 14 14 ALA H H 1 8.33 . . . . . . . . . . . 5550 2
19 . 1 1 15 15 GLU N N 15 118.1 . . . . . . . . . . . 5550 2
20 . 1 1 15 15 GLU H H 1 8.43 . . . . . . . . . . . 5550 2
21 . 1 1 16 16 ASP N N 15 119.8 . . . . . . . . . . . 5550 2
22 . 1 1 16 16 ASP H H 1 8.05 . . . . . . . . . . . 5550 2
23 . 1 1 17 17 LEU N N 15 122.4 . . . . . . . . . . . 5550 2
24 . 1 1 17 17 LEU H H 1 8.01 . . . . . . . . . . . 5550 2
25 . 1 1 18 18 ALA N N 15 121.4 . . . . . . . . . . . 5550 2
26 . 1 1 18 18 ALA H H 1 8.06 . . . . . . . . . . . 5550 2
27 . 1 1 19 19 ARG N N 15 118 . . . . . . . . . . . 5550 2
28 . 1 1 19 19 ARG H H 1 7.82 . . . . . . . . . . . 5550 2
29 . 1 1 20 20 TYR N N 15 120.5 . . . . . . . . . . . 5550 2
30 . 1 1 20 20 TYR H H 1 7.84 . . . . . . . . . . . 5550 2
31 . 1 1 21 21 TYR N N 15 119 . . . . . . . . . . . 5550 2
32 . 1 1 21 21 TYR H H 1 8.24 . . . . . . . . . . . 5550 2
33 . 1 1 22 22 SER N N 15 115.4 . . . . . . . . . . . 5550 2
34 . 1 1 22 22 SER H H 1 8.05 . . . . . . . . . . . 5550 2
35 . 1 1 23 23 ALA N N 15 125 . . . . . . . . . . . 5550 2
36 . 1 1 23 23 ALA H H 1 8.01 . . . . . . . . . . . 5550 2
37 . 1 1 24 24 LEU N N 15 119.8 . . . . . . . . . . . 5550 2
38 . 1 1 24 24 LEU H H 1 8.07 . . . . . . . . . . . 5550 2
39 . 1 1 25 25 ARG N N 15 118.6 . . . . . . . . . . . 5550 2
40 . 1 1 25 25 ARG H H 1 7.9 . . . . . . . . . . . 5550 2
41 . 1 1 26 26 HIS N N 15 117.3 . . . . . . . . . . . 5550 2
42 . 1 1 26 26 HIS H H 1 8.03 . . . . . . . . . . . 5550 2
43 . 1 1 27 27 TYR N N 15 120.6 . . . . . . . . . . . 5550 2
44 . 1 1 27 27 TYR H H 1 8.12 . . . . . . . . . . . 5550 2
45 . 1 1 28 28 ILE N N 15 120.7 . . . . . . . . . . . 5550 2
46 . 1 1 28 28 ILE H H 1 8.15 . . . . . . . . . . . 5550 2
47 . 1 1 29 29 ASN N N 15 121 . . . . . . . . . . . 5550 2
48 . 1 1 29 29 ASN H H 1 8.16 . . . . . . . . . . . 5550 2
49 . 1 1 30 30 LEU N N 15 121.8 . . . . . . . . . . . 5550 2
50 . 1 1 30 30 LEU H H 1 7.93 . . . . . . . . . . . 5550 2
51 . 1 1 31 31 ILE N N 15 119.1 . . . . . . . . . . . 5550 2
52 . 1 1 31 31 ILE H H 1 7.96 . . . . . . . . . . . 5550 2
53 . 1 1 32 32 THR N N 15 116 . . . . . . . . . . . 5550 2
54 . 1 1 32 32 THR H H 1 7.93 . . . . . . . . . . . 5550 2
55 . 1 1 33 33 ARG N N 15 122 . . . . . . . . . . . 5550 2
56 . 1 1 33 33 ARG H H 1 7.98 . . . . . . . . . . . 5550 2
57 . 1 1 34 34 GLN N N 15 120.3 . . . . . . . . . . . 5550 2
58 . 1 1 34 34 GLN H H 1 8.12 . . . . . . . . . . . 5550 2
59 . 1 1 35 35 ARG N N 15 121.3 . . . . . . . . . . . 5550 2
60 . 1 1 35 35 ARG H H 1 8.14 . . . . . . . . . . . 5550 2
61 . 1 1 36 36 TYR N N 15 120.8 . . . . . . . . . . . 5550 2
62 . 1 1 36 36 TYR H H 1 8.02 . . . . . . . . . . . 5550 2
63 . 1 1 37 37 NH2 N N 15 108.2 . . . . . . . . . . . 5550 2
64 . 1 1 37 37 NH2 HN1 H 1 7.03 . . . . . . . . . . . 5550 2
65 . 1 1 37 37 NH2 HN2 H 1 7.42 . . . . . . . . . . . 5550 2
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