Content for NMR-STAR saveframe, "assigned_chem_shift_list_2"
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 27873
_Assigned_chem_shift_list.ID 2
_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 $reference_label_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
;
There are two rows that could not be assigned to a specific atom:
12 TYR C 13 38.31 0.00
12 TYR C 13 42.09 0.00
;
_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-13C HSQC' . . . 27873 2
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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.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 2 2 ARG CA C 13 56.51 0.00 . 1 . . . . . 1 ARG CA . 27873 2
2 . 1 1 2 2 ARG CB C 13 30.85 0.00 . 1 . . . . . 1 ARG CB . 27873 2
3 . 1 1 2 2 ARG CG C 13 27.05 0.00 . 1 . . . . . 1 ARG CG . 27873 2
4 . 1 1 2 2 ARG CD C 13 43.35 0.00 . 1 . . . . . 1 ARG CD . 27873 2
5 . 1 1 3 3 GLY CA C 13 45.31 0.00 . 1 . . . . . 2 GLY CA . 27873 2
6 . 1 1 4 4 GLU CA C 13 56.57 0.00 . 1 . . . . . 3 GLU CA . 27873 2
7 . 1 1 4 4 GLU CB C 13 30.29 0.00 . 1 . . . . . 3 GLU CB . 27873 2
8 . 1 1 4 4 GLU CG C 13 35.62 0.00 . 1 . . . . . 3 GLU CG . 27873 2
9 . 1 1 5 5 MED CA C 13 56.01 0.00 . 1 . . . . . 4 MED CA . 27873 2
10 . 1 1 5 5 MED CB C 13 32.59 0.02 . 1 . . . . . 4 MED CB . 27873 2
11 . 1 1 5 5 MED CG C 13 31.98 0.01 . 1 . . . . . 4 MED CG . 27873 2
12 . 1 1 6 6 ASN CA C 13 53.31 0.00 . 1 . . . . . 5 ASN CA . 27873 2
13 . 1 1 6 6 ASN CB C 13 39.33 0.00 . 1 . . . . . 5 ASN CB . 27873 2
14 . 1 1 7 7 DLE CA C 13 55.80 0.00 . 1 . . . . . 6 DLE CA . 27873 2
15 . 1 1 7 7 DLE CB C 13 42.29 0.00 . 1 . . . . . 6 DLE CB . 27873 2
16 . 1 1 7 7 DLE CG C 13 27.06 0.00 . 1 . . . . . 6 DLE CG . 27873 2
17 . 1 1 7 7 DLE CD1 C 13 24.93 0.00 . 1 . . . . . 6 DLE CD1 . 27873 2
18 . 1 1 7 7 DLE CD2 C 13 24.92 0.00 . 1 . . . . . 6 DLE CD2 . 27873 2
19 . 1 1 8 8 CYS CA C 13 55.41 0.00 . 1 . . . . . 7 CYS CA . 27873 2
20 . 1 1 8 8 CYS CB C 13 41.14 0.00 . 1 . . . . . 7 CYS CB . 27873 2
21 . 1 1 9 9 DTR CA C 13 58.34 0.00 . 1 . . . . . 8 DTR CA . 27873 2
22 . 1 1 9 9 DTR CB C 13 29.70 0.00 . 1 . . . . . 8 DTR CB . 27873 2
23 . 1 1 9 9 DTR CD1 C 13 127.14 0.00 . 1 . . . . . 8 DTR CD1 . 27873 2
24 . 1 1 9 9 DTR CE3 C 13 120.95 0.00 . 1 . . . . . 8 DTR CE3 . 27873 2
25 . 1 1 9 9 DTR CZ2 C 13 114.75 0.00 . 1 . . . . . 8 DTR CZ2 . 27873 2
26 . 1 1 9 9 DTR CZ3 C 13 122.09 0.00 . 1 . . . . . 8 DTR CZ3 . 27873 2
27 . 1 1 9 9 DTR CH2 C 13 124.71 0.00 . 1 . . . . . 8 DTR CH2 . 27873 2
28 . 1 1 10 10 MET CA C 13 55.61 0.00 . 1 . . . . . 9 MET CA . 27873 2
29 . 1 1 10 10 MET CB C 13 27.03 0.01 . 1 . . . . . 9 MET CB . 27873 2
30 . 1 1 10 10 MET CG C 13 31.31 0.00 . 1 . . . . . 9 MET CG . 27873 2
31 . 1 1 11 11 ASN CA C 13 53.59 0.00 . 1 . . . . . 10 ASN CA . 27873 2
32 . 1 1 11 11 ASN CB C 13 39.17 0.00 . 1 . . . . . 10 ASN CB . 27873 2
33 . 1 1 12 12 GLU CA C 13 57.31 0.00 . 1 . . . . . 11 GLU CA . 27873 2
34 . 1 1 12 12 GLU CB C 13 30.95 0.00 . 1 . . . . . 11 GLU CB . 27873 2
35 . 1 1 12 12 GLU CG C 13 35.33 0.00 . 1 . . . . . 11 GLU CG . 27873 2
36 . 1 1 13 13 TYR CA C 13 58.08 0.00 . 1 . . . . . 12 TYR CA . 27873 2
37 . 1 1 13 13 TYR CB C 13 38.29 0.02 . 1 . . . . . 12 TYR CB . 27873 2
38 . 1 1 13 13 TYR CD1 C 13 133.15 0.00 . 3 . . . . . 12 TYR CD* . 27873 2
39 . 1 1 13 13 TYR CD2 C 13 133.15 0.00 . 3 . . . . . 12 TYR CD* . 27873 2
40 . 1 1 13 13 TYR CE1 C 13 118.31 0.00 . 3 . . . . . 12 TYR CE* . 27873 2
41 . 1 1 13 13 TYR CE2 C 13 118.31 0.00 . 3 . . . . . 12 TYR CE* . 27873 2
42 . 1 1 14 14 SER CA C 13 58.51 0.00 . 1 . . . . . 13 SER CA . 27873 2
43 . 1 1 14 14 SER CB C 13 63.91 0.00 . 1 . . . . . 13 SER CB . 27873 2
44 . 1 1 15 15 GLY CA C 13 45.86 0.00 . 1 . . . . . 14 GLY CA . 27873 2
45 . 1 1 16 16 TRP CA C 13 57.67 0.00 . 1 . . . . . 15 TRP CA . 27873 2
46 . 1 1 16 16 TRP CB C 13 29.71 0.01 . 1 . . . . . 15 TRP CB . 27873 2
47 . 1 1 16 16 TRP CD1 C 13 127.14 0.00 . 1 . . . . . 15 TRP CD1 . 27873 2
48 . 1 1 16 16 TRP CE3 C 13 121.00 0.00 . 1 . . . . . 15 TRP CE3 . 27873 2
49 . 1 1 16 16 TRP CZ2 C 13 114.70 0.00 . 1 . . . . . 15 TRP CZ2 . 27873 2
50 . 1 1 16 16 TRP CZ3 C 13 122.02 0.00 . 1 . . . . . 15 TRP CZ3 . 27873 2
51 . 1 1 16 16 TRP CH2 C 13 124.68 0.00 . 1 . . . . . 15 TRP CH2 . 27873 2
52 . 1 1 17 17 DCY CA C 13 55.53 0.00 . 1 . . . . . 16 DCY CA . 27873 2
53 . 1 1 17 17 DCY CB C 13 41.43 0.00 . 1 . . . . . 16 DCY CB . 27873 2
54 . 1 1 18 18 MET CA C 13 56.24 0.00 . 1 . . . . . 17 MET CA . 27873 2
55 . 1 1 18 18 MET CB C 13 32.70 0.01 . 1 . . . . . 17 MET CB . 27873 2
56 . 1 1 18 18 MET CG C 13 32.08 0.00 . 1 . . . . . 17 MET CG . 27873 2
57 . 1 1 19 19 DSG CA C 13 53.47 0.00 . 1 . . . . . 18 DSG CA . 27873 2
58 . 1 1 19 19 DSG CB C 13 38.92 0.00 . 1 . . . . . 18 DSG CB . 27873 2
59 . 1 1 20 20 LEU CA C 13 55.50 0.00 . 1 . . . . . 19 LEU CA . 27873 2
60 . 1 1 20 20 LEU CB C 13 42.44 0.01 . 1 . . . . . 19 LEU CB . 27873 2
61 . 1 1 20 20 LEU CG C 13 27.05 0.00 . 1 . . . . . 19 LEU CG . 27873 2
62 . 1 1 20 20 LEU CD1 C 13 23.32 0.00 . 1 . . . . . 19 LEU CD1 . 27873 2
63 . 1 1 20 20 LEU CD2 C 13 23.82 0.00 . 1 . . . . . 19 LEU CD2 . 27873 2
64 . 1 1 21 21 DLY CA C 13 56.55 0.00 . 1 . . . . . 20 DLY CA . 27873 2
65 . 1 1 21 21 DLY CB C 13 32.88 0.01 . 1 . . . . . 20 DLY CB . 27873 2
66 . 1 1 21 21 DLY CG C 13 24.95 0.00 . 1 . . . . . 20 DLY CG . 27873 2
67 . 1 1 21 21 DLY CD C 13 28.99 0.00 . 1 . . . . . 20 DLY CD . 27873 2
68 . 1 1 22 22 MET CA C 13 55.40 0.00 . 1 . . . . . 21 MET CA . 27873 2
69 . 1 1 22 22 MET CB C 13 32.65 0.01 . 1 . . . . . 21 MET CB . 27873 2
70 . 1 1 22 22 MET CG C 13 32.18 0.01 . 1 . . . . . 21 MET CG . 27873 2
71 . 1 1 23 23 GLY CA C 13 45.32 0.00 . 1 . . . . . 22 GLY CA . 27873 2
72 . 1 1 24 24 ARG CA C 13 55.76 0.00 . 1 . . . . . 23 ARG CA . 27873 2
73 . 1 1 24 24 ARG CB C 13 30.80 0.01 . 1 . . . . . 23 ARG CB . 27873 2
74 . 1 1 24 24 ARG CG C 13 27.05 0.00 . 1 . . . . . 23 ARG CG . 27873 2
75 . 1 1 24 24 ARG CD C 13 43.25 0.00 . 1 . . . . . 23 ARG CD . 27873 2
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