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 30994
_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' . . . 30994 1
2 '2D 1H-1H NOESY' . . . 30994 1
3 '2D 1H-13C HSQC' . . . 30994 1
4 '2D 1H-15N HSQC' . . . 30994 1
5 '2D 1H-1H COSY' . . . 30994 1
stop_
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 ASN H H 1 7.9676 . . . . . . . A 1 ASN H1 . 30994 1
2 . 1 . 1 1 1 ASN HA H 1 4.4280 . . . . . . . A 1 ASN HA . 30994 1
3 . 1 . 1 1 1 ASN HB2 H 1 2.3450 . . . . . . . A 1 ASN HB2 . 30994 1
4 . 1 . 1 1 1 ASN HB3 H 1 2.2587 . . . . . . . A 1 ASN HB3 . 30994 1
5 . 1 . 1 1 1 ASN HD21 H 1 7.2434 . . . . . . . A 1 ASN HD21 . 30994 1
6 . 1 . 1 1 1 ASN HD22 H 1 6.8358 . . . . . . . A 1 ASN HD22 . 30994 1
7 . 1 . 1 1 1 ASN CA C 13 53.5406 . . . . . . . A 1 ASN CA . 30994 1
8 . 1 . 1 1 1 ASN CB C 13 39.6352 . . . . . . . A 1 ASN CB . 30994 1
9 . 1 . 1 1 1 ASN N N 15 123.7442 . . . . . . . A 1 ASN N . 30994 1
10 . 1 . 1 1 1 ASN ND2 N 15 109.4113 . . . . . . . A 1 ASN ND2 . 30994 1
11 . 1 . 1 2 2 DTY H H 1 8.4677 . . . . . . . A 2 DTY H . 30994 1
12 . 1 . 1 2 2 DTY N N 15 119.7305 . . . . . . . A 2 DTY N . 30994 1
13 . 1 . 1 2 2 DTY CA C 13 59.4505 . . . . . . . A 2 DTY CA . 30994 1
14 . 1 . 1 2 2 DTY CB C 13 38.3285 . . . . . . . A 2 DTY CB . 30994 1
15 . 1 . 1 2 2 DTY HA H 1 4.0683 . . . . . . . A 2 DTY HA . 30994 1
16 . 1 . 1 2 2 DTY HB2 H 1 2.7676 . . . . . . . A 2 DTY HB2 . 30994 1
17 . 1 . 1 2 2 DTY HB3 H 1 2.9321 . . . . . . . A 2 DTY HB3 . 30994 1
18 . 1 . 1 2 2 DTY HD1 H 1 7.0153 . . . . . . . A 2 DTY HD1 . 30994 1
19 . 1 . 1 2 2 DTY HE1 H 1 6.6605 . . . . . . . A 2 DTY HE1 . 30994 1
20 . 1 . 1 3 3 DSG H H 1 8.0290 . . . . . . . A 3 DSG H . 30994 1
21 . 1 . 1 3 3 DSG CA C 13 53.5349 . . . . . . . A 3 DSG CA . 30994 1
22 . 1 . 1 3 3 DSG CB C 13 39.4464 . . . . . . . A 3 DSG CB . 30994 1
23 . 1 . 1 3 3 DSG HA H 1 4.4400 . . . . . . . A 3 DSG HA . 30994 1
24 . 1 . 1 3 3 DSG HB2 H 1 2.5295 . . . . . . . A 3 DSG HB2 . 30994 1
25 . 1 . 1 3 3 DSG HB3 H 1 2.5410 . . . . . . . A 3 DSG HB3 . 30994 1
26 . 1 . 1 3 3 DSG HD21 H 1 7.2260 . . . . . . . A 3 DSG HD21 . 30994 1
27 . 1 . 1 3 3 DSG HD22 H 1 6.8249 . . . . . . . A 3 DSG HD22 . 30994 1
28 . 1 . 1 3 3 DSG ND2 N 15 109.2451 . . . . . . . A 3 DSG ND2 . 30994 1
29 . 1 . 1 4 4 GLN H H 1 7.1256 . . . . . . . A 4 GLN H . 30994 1
30 . 1 . 1 4 4 GLN HA H 1 4.4335 . . . . . . . A 4 GLN HA . 30994 1
31 . 1 . 1 4 4 GLN HB2 H 1 1.9252 . . . . . . . A 4 GLN HB2 . 30994 1
32 . 1 . 1 4 4 GLN HB3 H 1 1.7953 . . . . . . . A 4 GLN HB3 . 30994 1
33 . 1 . 1 4 4 GLN HG2 H 1 2.1295 . . . . . . . A 4 GLN HG2 . 30994 1
34 . 1 . 1 4 4 GLN HG3 H 1 2.1380 . . . . . . . A 4 GLN HG3 . 30994 1
35 . 1 . 1 4 4 GLN CA C 13 53.5542 . . . . . . . A 4 GLN CA . 30994 1
36 . 1 . 1 4 4 GLN CB C 13 29.6571 . . . . . . . A 4 GLN CB . 30994 1
37 . 1 . 1 4 4 GLN N N 15 116.0043 . . . . . . . A 4 GLN N . 30994 1
38 . 1 . 1 5 5 PRO HA H 1 4.2863 . . . . . . . A 5 PRO HA . 30994 1
39 . 1 . 1 5 5 PRO HB2 H 1 2.1359 . . . . . . . A 5 PRO HB2 . 30994 1
40 . 1 . 1 5 5 PRO HB3 H 1 1.9953 . . . . . . . A 5 PRO HB3 . 30994 1
41 . 1 . 1 5 5 PRO HG2 H 1 1.8838 . . . . . . . A 5 PRO HG2 . 30994 1
42 . 1 . 1 5 5 PRO HG3 H 1 1.8004 . . . . . . . A 5 PRO HG3 . 30994 1
43 . 1 . 1 5 5 PRO HD2 H 1 3.8084 . . . . . . . A 5 PRO HD2 . 30994 1
44 . 1 . 1 5 5 PRO HD3 H 1 3.6443 . . . . . . . A 5 PRO HD3 . 30994 1
45 . 1 . 1 5 5 PRO CA C 13 63.2751 . . . . . . . A 5 PRO CA . 30994 1
46 . 1 . 1 6 6 DSG H H 1 8.4394 . . . . . . . A 6 DSG H . 30994 1
47 . 1 . 1 6 6 DSG N N 15 115.5554 . . . . . . . A 6 DSG N . 30994 1
48 . 1 . 1 6 6 DSG CA C 13 58.0288 . . . . . . . A 6 DSG CA . 30994 1
49 . 1 . 1 6 6 DSG CB C 13 63.4600 . . . . . . . A 6 DSG CB . 30994 1
50 . 1 . 1 6 6 DSG HA H 1 4.1890 . . . . . . . A 6 DSG HA . 30994 1
51 . 1 . 1 6 6 DSG HB2 H 1 3.6869 . . . . . . . A 6 DSG HB2 . 30994 1
52 . 1 . 1 6 6 DSG HB3 H 1 3.6121 . . . . . . . A 6 DSG HB3 . 30994 1
53 . 1 . 1 6 6 DSG HD21 H 1 6.7576 . . . . . . . A 6 DSG HD21 . 30994 1
54 . 1 . 1 6 6 DSG HD22 H 1 7.2062 . . . . . . . A 6 DSG HD22 . 30994 1
55 . 1 . 1 6 6 DSG ND2 N 15 109.1520 . . . . . . . A 6 DSG ND2 . 30994 1
56 . 1 . 1 7 7 SER H H 1 7.7829 . . . . . . . A 7 SER H . 30994 1
57 . 1 . 1 7 7 SER HA H 1 4.6124 . . . . . . . A 7 SER HA . 30994 1
58 . 1 . 1 7 7 SER HB2 H 1 2.6531 . . . . . . . A 7 SER HB2 . 30994 1
59 . 1 . 1 7 7 SER HB3 H 1 2.2884 . . . . . . . A 7 SER HB3 . 30994 1
60 . 1 . 1 7 7 SER CA C 13 53.4161 . . . . . . . A 7 SER CA . 30994 1
61 . 1 . 1 7 7 SER CB C 13 40.5468 . . . . . . . A 7 SER CB . 30994 1
62 . 1 . 1 7 7 SER N N 15 118.9516 . . . . . . . A 7 SER N . 30994 1
63 . 1 . 1 8 8 KV6 H1 H 1 7.0897 . . . . . . . A 8 KV6 H1 . 30994 1
64 . 1 . 1 8 8 KV6 N N 15 124.3084 . . . . . . . A 8 KV6 N . 30994 1
65 . 1 . 1 8 8 KV6 CA C 13 44.6859 . . . . . . . A 8 KV6 CA . 30994 1
66 . 1 . 1 8 8 KV6 CB C 13 49.6789 . . . . . . . A 8 KV6 CB . 30994 1
67 . 1 . 1 8 8 KV6 CD C 13 34.3290 . . . . . . . A 8 KV6 CD . 30994 1
68 . 1 . 1 8 8 KV6 CG C 13 37.4157 . . . . . . . A 8 KV6 CG . 30994 1
69 . 1 . 1 8 8 KV6 HA1 H 1 2.3491 . . . . . . . A 8 KV6 HA1 . 30994 1
70 . 1 . 1 8 8 KV6 HA2 H 1 2.3092 . . . . . . . A 8 KV6 HA2 . 30994 1
71 . 1 . 1 8 8 KV6 HB H 1 3.9432 . . . . . . . A 8 KV6 HB . 30994 1
72 . 1 . 1 8 8 KV6 HD1 H 1 1.2140 . . . . . . . A 8 KV6 HD1 . 30994 1
73 . 1 . 1 8 8 KV6 HG1 H 1 1.4361 . . . . . . . A 8 KV6 HG1 . 30994 1
74 . 1 . 1 8 8 KV6 HG2 H 1 1.3951 . . . . . . . A 8 KV6 HG2 . 30994 1
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