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 50379
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name SR
_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' . . . 50379 1
2 '2D 1H-1H NOESY' . . . 50379 1
3 '2D 1H-15N HSQC' . . . 50379 1
4 '2D 1H-13C HSQC' . . . 50379 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 . . 50379 1
2 $software_2 . . 50379 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 2 2 ALA H H 1 8.499 0.01 . 1 . . . . . 1 ALA H . 50379 1
2 . 1 . 1 2 2 ALA HA H 1 4.283 0.01 . 1 . . . . . 1 ALA HA . 50379 1
3 . 1 . 1 2 2 ALA CA C 13 52.893 0.1 . 1 . . . . . 1 ALA CA . 50379 1
4 . 1 . 1 2 2 ALA CB C 13 19.22 0.1 . 1 . . . . . 1 ALA CB . 50379 1
5 . 1 . 1 2 2 ALA N N 15 130.255 0.05 . 1 . . . . . 1 ALA N . 50379 1
6 . 1 . 1 3 3 SER H H 1 8.585 0.01 . 1 . . . . . 2 SER H . 50379 1
7 . 1 . 1 3 3 SER HA H 1 4.493 0.01 . 1 . . . . . 2 SER HA . 50379 1
8 . 1 . 1 3 3 SER CA C 13 58.405 0.1 . 1 . . . . . 2 SER CA . 50379 1
9 . 1 . 1 3 3 SER CB C 13 63.758 0.1 . 1 . . . . . 2 SER CB . 50379 1
10 . 1 . 1 3 3 SER N N 15 115.248 0.05 . 1 . . . . . 2 SER N . 50379 1
11 . 1 . 1 4 4 SER H H 1 8.529 0.01 . 1 . . . . . 3 SER H . 50379 1
12 . 1 . 1 4 4 SER HA H 1 4.479 0.01 . 1 . . . . . 3 SER HA . 50379 1
13 . 1 . 1 4 4 SER CA C 13 58.597 0.1 . 1 . . . . . 3 SER CA . 50379 1
14 . 1 . 1 4 4 SER CB C 13 63.733 0.1 . 1 . . . . . 3 SER CB . 50379 1
15 . 1 . 1 4 4 SER N N 15 118.393 0.05 . 1 . . . . . 3 SER N . 50379 1
16 . 1 . 1 5 5 ARG H H 1 8.523 0.01 . 1 . . . . . 4 ARG H . 50379 1
17 . 1 . 1 5 5 ARG HA H 1 4.394 0.01 . 1 . . . . . 4 ARG HA . 50379 1
18 . 1 . 1 5 5 ARG CA C 13 56.439 0.1 . 1 . . . . . 4 ARG CA . 50379 1
19 . 1 . 1 5 5 ARG CB C 13 30.678 0.1 . 1 . . . . . 4 ARG CB . 50379 1
20 . 1 . 1 5 5 ARG N N 15 123.282 0.05 . 1 . . . . . 4 ARG N . 50379 1
21 . 1 . 1 6 6 SER H H 1 8.526 0.01 . 1 . . . . . 5 SER H . 50379 1
22 . 1 . 1 6 6 SER HA H 1 4.467 0.01 . 1 . . . . . 5 SER HA . 50379 1
23 . 1 . 1 6 6 SER CA C 13 58.711 0.1 . 1 . . . . . 5 SER CA . 50379 1
24 . 1 . 1 6 6 SER CB C 13 63.733 0.1 . 1 . . . . . 5 SER CB . 50379 1
25 . 1 . 1 6 6 SER N N 15 117.326 0.05 . 1 . . . . . 5 SER N . 50379 1
26 . 1 . 1 7 7 SER H H 1 8.575 0.01 . 1 . . . . . 6 SER H . 50379 1
27 . 1 . 1 7 7 SER HA H 1 4.516 0.01 . 1 . . . . . 6 SER HA . 50379 1
28 . 1 . 1 7 7 SER CA C 13 58.612 0.1 . 1 . . . . . 6 SER CA . 50379 1
29 . 1 . 1 7 7 SER CB C 13 63.797 0.1 . 1 . . . . . 6 SER CB . 50379 1
30 . 1 . 1 7 7 SER N N 15 118.5 0.05 . 1 . . . . . 6 SER N . 50379 1
31 . 1 . 1 8 8 SER H H 1 8.572 0.01 . 1 . . . . . 7 SER H . 50379 1
32 . 1 . 1 8 8 SER HA H 1 4.445 0.01 . 1 . . . . . 7 SER HA . 50379 1
33 . 1 . 1 8 8 SER CA C 13 58.938 0.1 . 1 . . . . . 7 SER CA . 50379 1
34 . 1 . 1 8 8 SER CB C 13 63.817 0.1 . 1 . . . . . 7 SER CB . 50379 1
35 . 1 . 1 8 8 SER N N 15 118.5 0.05 . 1 . . . . . 7 SER N . 50379 1
36 . 1 . 1 9 9 ARG H H 1 8.489 0.01 . 1 . . . . . 8 ARG H . 50379 1
37 . 1 . 1 9 9 ARG HA H 1 4.368 0.01 . 1 . . . . . 8 ARG HA . 50379 1
38 . 1 . 1 9 9 ARG CA C 13 56.498 0.1 . 1 . . . . . 8 ARG CA . 50379 1
39 . 1 . 1 9 9 ARG CB C 13 30.683 0.1 . 1 . . . . . 8 ARG CB . 50379 1
40 . 1 . 1 9 9 ARG N N 15 123.288 0.05 . 1 . . . . . 8 ARG N . 50379 1
41 . 1 . 1 10 10 SER H H 1 8.459 0.01 . 1 . . . . . 9 SER H . 50379 1
42 . 1 . 1 10 10 SER HA H 1 4.422 0.01 . 1 . . . . . 9 SER HA . 50379 1
43 . 1 . 1 10 10 SER CA C 13 58.72 0.1 . 1 . . . . . 9 SER CA . 50379 1
44 . 1 . 1 10 10 SER CB C 13 63.669 0.1 . 1 . . . . . 9 SER CB . 50379 1
45 . 1 . 1 10 10 SER N N 15 117.179 0.05 . 1 . . . . . 9 SER N . 50379 1
46 . 1 . 1 11 11 ARG H H 1 8.581 0.01 . 1 . . . . . 10 ARG H . 50379 1
47 . 1 . 1 11 11 ARG HA H 1 4.339 0.01 . 1 . . . . . 10 ARG HA . 50379 1
48 . 1 . 1 11 11 ARG CA C 13 56.572 0.1 . 1 . . . . . 10 ARG CA . 50379 1
49 . 1 . 1 11 11 ARG CB C 13 30.614 0.1 . 1 . . . . . 10 ARG CB . 50379 1
50 . 1 . 1 11 11 ARG N N 15 123.475 0.05 . 1 . . . . . 10 ARG N . 50379 1
51 . 1 . 1 12 12 ASN H H 1 8.607 0.01 . 1 . . . . . 11 ASN H . 50379 1
52 . 1 . 1 12 12 ASN HA H 1 4.737 0.01 . 1 . . . . . 11 ASN HA . 50379 1
53 . 1 . 1 12 12 ASN CA C 13 53.506 0.1 . 1 . . . . . 11 ASN CA . 50379 1
54 . 1 . 1 12 12 ASN CB C 13 38.829 0.1 . 1 . . . . . 11 ASN CB . 50379 1
55 . 1 . 1 12 12 ASN N N 15 119.865 0.05 . 1 . . . . . 11 ASN N . 50379 1
56 . 1 . 1 13 13 SER H H 1 8.447 0.01 . 1 . . . . . 12 SER H . 50379 1
57 . 1 . 1 13 13 SER HA H 1 4.47 0.01 . 1 . . . . . 12 SER HA . 50379 1
58 . 1 . 1 13 13 SER CA C 13 58.809 0.1 . 1 . . . . . 12 SER CA . 50379 1
59 . 1 . 1 13 13 SER CB C 13 63.767 0.1 . 1 . . . . . 12 SER CB . 50379 1
60 . 1 . 1 13 13 SER N N 15 116.837 0.05 . 1 . . . . . 12 SER N . 50379 1
61 . 1 . 1 14 14 SER H H 1 8.579 0.01 . 1 . . . . . 13 SER H . 50379 1
62 . 1 . 1 14 14 SER HA H 1 4.467 0.01 . 1 . . . . . 13 SER HA . 50379 1
63 . 1 . 1 14 14 SER CA C 13 58.75 0.1 . 1 . . . . . 13 SER CA . 50379 1
64 . 1 . 1 14 14 SER CB C 13 63.679 0.1 . 1 . . . . . 13 SER CB . 50379 1
65 . 1 . 1 14 14 SER N N 15 118.5 0.05 . 1 . . . . . 13 SER N . 50379 1
66 . 1 . 1 15 15 ARG H H 1 8.461 0.01 . 1 . . . . . 14 ARG H . 50379 1
67 . 1 . 1 15 15 ARG HA H 1 4.332 0.01 . 1 . . . . . 14 ARG HA . 50379 1
68 . 1 . 1 15 15 ARG CA C 13 56.493 0.1 . 1 . . . . . 14 ARG CA . 50379 1
69 . 1 . 1 15 15 ARG CB C 13 30.614 0.1 . 1 . . . . . 14 ARG CB . 50379 1
70 . 1 . 1 15 15 ARG N N 15 122.924 0.05 . 1 . . . . . 14 ARG N . 50379 1
71 . 1 . 1 16 16 ASN H H 1 8.568 0.01 . 1 . . . . . 15 ASN H . 50379 1
72 . 1 . 1 16 16 ASN HA H 1 4.759 0.01 . 1 . . . . . 15 ASN HA . 50379 1
73 . 1 . 1 16 16 ASN CA C 13 53.354 0.1 . 1 . . . . . 15 ASN CA . 50379 1
74 . 1 . 1 16 16 ASN CB C 13 38.853 0.1 . 1 . . . . . 15 ASN CB . 50379 1
75 . 1 . 1 16 16 ASN N N 15 119.941 0.05 . 1 . . . . . 15 ASN N . 50379 1
76 . 1 . 1 17 17 SER H H 1 8.395 0.01 . 1 . . . . . 16 SER H . 50379 1
77 . 1 . 1 17 17 SER HA H 1 4.395 0.01 . 1 . . . . . 16 SER HA . 50379 1
78 . 1 . 1 17 17 SER CA C 13 58.487 0.1 . 1 . . . . . 16 SER CA . 50379 1
79 . 1 . 1 17 17 SER CB C 13 63.649 0.1 . 1 . . . . . 16 SER CB . 50379 1
80 . 1 . 1 17 17 SER N N 15 117.574 0.05 . 1 . . . . . 16 SER N . 50379 1
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