Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 4841
_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
_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
. . 1 $Typical_sample . 4841 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 . 2 2 1 1 ASN H H 1 7.530 0.03 . 1 . . . . . . . . 4841 2
2 . 2 2 1 1 ASN HA H 1 5.290 0.03 . 1 . . . . . . . . 4841 2
3 . 2 2 1 1 ASN HB2 H 1 3.164 0.03 . 2 . . . . . . . . 4841 2
4 . 2 2 1 1 ASN HB3 H 1 3.295 0.03 . 2 . . . . . . . . 4841 2
5 . 2 2 1 1 ASN HD21 H 1 7.685 0.03 . 2 . . . . . . . . 4841 2
6 . 2 2 1 1 ASN HD22 H 1 6.963 0.03 . 2 . . . . . . . . 4841 2
7 . 2 2 2 2 ILE H H 1 8.523 0.03 . 1 . . . . . . . . 4841 2
8 . 2 2 2 2 ILE HA H 1 3.769 0.03 . 1 . . . . . . . . 4841 2
9 . 2 2 2 2 ILE HB H 1 2.096 0.03 . 1 . . . . . . . . 4841 2
10 . 2 2 2 2 ILE HG21 H 1 1.000 0.03 . 1 . . . . . . . . 4841 2
11 . 2 2 2 2 ILE HG22 H 1 1.000 0.03 . 1 . . . . . . . . 4841 2
12 . 2 2 2 2 ILE HG23 H 1 1.000 0.03 . 1 . . . . . . . . 4841 2
13 . 2 2 2 2 ILE HG12 H 1 1.353 0.03 . 2 . . . . . . . . 4841 2
14 . 2 2 2 2 ILE HG13 H 1 1.638 0.03 . 2 . . . . . . . . 4841 2
15 . 2 2 2 2 ILE HD11 H 1 0.589 0.03 . 1 . . . . . . . . 4841 2
16 . 2 2 2 2 ILE HD12 H 1 0.589 0.03 . 1 . . . . . . . . 4841 2
17 . 2 2 2 2 ILE HD13 H 1 0.589 0.03 . 1 . . . . . . . . 4841 2
18 . 2 2 3 3 GLN H H 1 8.415 0.03 . 1 . . . . . . . . 4841 2
19 . 2 2 3 3 GLN HA H 1 3.963 0.03 . 1 . . . . . . . . 4841 2
20 . 2 2 3 3 GLN HB2 H 1 2.091 0.03 . 1 . . . . . . . . 4841 2
21 . 2 2 3 3 GLN HB3 H 1 2.091 0.03 . 1 . . . . . . . . 4841 2
22 . 2 2 3 3 GLN HG2 H 1 2.224 0.03 . 1 . . . . . . . . 4841 2
23 . 2 2 3 3 GLN HG3 H 1 2.224 0.03 . 1 . . . . . . . . 4841 2
24 . 2 2 3 3 GLN HE21 H 1 7.863 0.03 . 2 . . . . . . . . 4841 2
25 . 2 2 3 3 GLN HE22 H 1 6.832 0.03 . 2 . . . . . . . . 4841 2
26 . 2 2 4 4 MET H H 1 8.213 0.03 . 1 . . . . . . . . 4841 2
27 . 2 2 4 4 MET HA H 1 4.324 0.03 . 1 . . . . . . . . 4841 2
28 . 2 2 4 4 MET HB2 H 1 2.176 0.03 . 4 . . . . . . . . 4841 2
29 . 2 2 4 4 MET HB3 H 1 2.441 0.03 . 4 . . . . . . . . 4841 2
30 . 2 2 4 4 MET HG2 H 1 2.638 0.03 . 4 . . . . . . . . 4841 2
31 . 2 2 4 4 MET HG3 H 1 2.918 0.03 . 4 . . . . . . . . 4841 2
32 . 2 2 5 5 LEU H H 1 7.652 0.03 . 1 . . . . . . . . 4841 2
33 . 2 2 5 5 LEU HA H 1 3.945 0.03 . 1 . . . . . . . . 4841 2
34 . 2 2 5 5 LEU HD11 H 1 0.204 0.03 . 2 . . . . . . . . 4841 2
35 . 2 2 5 5 LEU HD12 H 1 0.204 0.03 . 2 . . . . . . . . 4841 2
36 . 2 2 5 5 LEU HD13 H 1 0.204 0.03 . 2 . . . . . . . . 4841 2
37 . 2 2 5 5 LEU HD21 H 1 0.870 0.03 . 2 . . . . . . . . 4841 2
38 . 2 2 5 5 LEU HD22 H 1 0.870 0.03 . 2 . . . . . . . . 4841 2
39 . 2 2 5 5 LEU HD23 H 1 0.870 0.03 . 2 . . . . . . . . 4841 2
40 . 2 2 5 5 LEU HB2 H 1 2.206 0.03 . 4 . . . . . . . . 4841 2
41 . 2 2 5 5 LEU HB3 H 1 1.151 0.03 . 4 . . . . . . . . 4841 2
42 . 2 2 5 5 LEU HG H 1 1.570 0.03 . 4 . . . . . . . . 4841 2
43 . 2 2 6 6 LEU H H 1 7.775 0.03 . 1 . . . . . . . . 4841 2
44 . 2 2 6 6 LEU HA H 1 3.970 0.03 . 1 . . . . . . . . 4841 2
45 . 2 2 6 6 LEU HB2 H 1 1.462 0.03 . 4 . . . . . . . . 4841 2
46 . 2 2 6 6 LEU HB3 H 1 1.561 0.03 . 4 . . . . . . . . 4841 2
47 . 2 2 6 6 LEU HG H 1 1.998 0.03 . 4 . . . . . . . . 4841 2
48 . 2 2 6 6 LEU HD11 H 1 0.497 0.03 . 2 . . . . . . . . 4841 2
49 . 2 2 6 6 LEU HD12 H 1 0.497 0.03 . 2 . . . . . . . . 4841 2
50 . 2 2 6 6 LEU HD13 H 1 0.497 0.03 . 2 . . . . . . . . 4841 2
51 . 2 2 6 6 LEU HD21 H 1 0.609 0.03 . 2 . . . . . . . . 4841 2
52 . 2 2 6 6 LEU HD22 H 1 0.609 0.03 . 2 . . . . . . . . 4841 2
53 . 2 2 6 6 LEU HD23 H 1 0.609 0.03 . 2 . . . . . . . . 4841 2
54 . 2 2 7 7 GLU H H 1 8.462 0.03 . 1 . . . . . . . . 4841 2
55 . 2 2 7 7 GLU HA H 1 4.240 0.03 . 1 . . . . . . . . 4841 2
56 . 2 2 7 7 GLU HB2 H 1 2.392 0.03 . 1 . . . . . . . . 4841 2
57 . 2 2 7 7 GLU HB3 H 1 2.392 0.03 . 1 . . . . . . . . 4841 2
58 . 2 2 7 7 GLU HG2 H 1 2.637 0.03 . 1 . . . . . . . . 4841 2
59 . 2 2 7 7 GLU HG3 H 1 2.637 0.03 . 1 . . . . . . . . 4841 2
60 . 2 2 8 8 ALA H H 1 8.839 0.03 . 1 . . . . . . . . 4841 2
61 . 2 2 8 8 ALA HA H 1 4.110 0.03 . 1 . . . . . . . . 4841 2
62 . 2 2 8 8 ALA HB1 H 1 1.311 0.03 . 1 . . . . . . . . 4841 2
63 . 2 2 8 8 ALA HB2 H 1 1.311 0.03 . 1 . . . . . . . . 4841 2
64 . 2 2 8 8 ALA HB3 H 1 1.311 0.03 . 1 . . . . . . . . 4841 2
65 . 2 2 9 9 ALA H H 1 8.458 0.03 . 1 . . . . . . . . 4841 2
66 . 2 2 9 9 ALA HA H 1 4.149 0.03 . 1 . . . . . . . . 4841 2
67 . 2 2 9 9 ALA HB1 H 1 1.662 0.03 . 1 . . . . . . . . 4841 2
68 . 2 2 9 9 ALA HB2 H 1 1.662 0.03 . 1 . . . . . . . . 4841 2
69 . 2 2 9 9 ALA HB3 H 1 1.662 0.03 . 1 . . . . . . . . 4841 2
70 . 2 2 10 10 ASP H H 1 8.071 0.03 . 1 . . . . . . . . 4841 2
71 . 2 2 10 10 ASP HA H 1 4.504 0.03 . 1 . . . . . . . . 4841 2
72 . 2 2 10 10 ASP HB2 H 1 2.785 0.03 . 2 . . . . . . . . 4841 2
73 . 2 2 10 10 ASP HB3 H 1 2.903 0.03 . 2 . . . . . . . . 4841 2
74 . 2 2 11 11 TYR H H 1 8.281 0.03 . 1 . . . . . . . . 4841 2
75 . 2 2 11 11 TYR HA H 1 4.256 0.03 . 1 . . . . . . . . 4841 2
76 . 2 2 11 11 TYR HB2 H 1 3.443 0.03 . 2 . . . . . . . . 4841 2
77 . 2 2 11 11 TYR HB3 H 1 3.492 0.03 . 2 . . . . . . . . 4841 2
78 . 2 2 11 11 TYR HD1 H 1 7.154 0.03 . 1 . . . . . . . . 4841 2
79 . 2 2 11 11 TYR HD2 H 1 7.154 0.03 . 1 . . . . . . . . 4841 2
80 . 2 2 11 11 TYR HE1 H 1 6.885 0.03 . 1 . . . . . . . . 4841 2
81 . 2 2 11 11 TYR HE2 H 1 6.885 0.03 . 1 . . . . . . . . 4841 2
82 . 2 2 12 12 LEU H H 1 8.228 0.03 . 1 . . . . . . . . 4841 2
83 . 2 2 12 12 LEU HA H 1 4.031 0.03 . 1 . . . . . . . . 4841 2
84 . 2 2 12 12 LEU HB2 H 1 1.592 0.03 . 4 . . . . . . . . 4841 2
85 . 2 2 12 12 LEU HB3 H 1 1.954 0.03 . 4 . . . . . . . . 4841 2
86 . 2 2 12 12 LEU HG H 1 2.012 0.03 . 4 . . . . . . . . 4841 2
87 . 2 2 12 12 LEU HD11 H 1 0.955 0.03 . 1 . . . . . . . . 4841 2
88 . 2 2 12 12 LEU HD12 H 1 0.955 0.03 . 1 . . . . . . . . 4841 2
89 . 2 2 12 12 LEU HD13 H 1 0.955 0.03 . 1 . . . . . . . . 4841 2
90 . 2 2 12 12 LEU HD21 H 1 0.955 0.03 . 1 . . . . . . . . 4841 2
91 . 2 2 12 12 LEU HD22 H 1 0.955 0.03 . 1 . . . . . . . . 4841 2
92 . 2 2 12 12 LEU HD23 H 1 0.955 0.03 . 1 . . . . . . . . 4841 2
93 . 2 2 13 13 GLU H H 1 7.720 0.03 . 1 . . . . . . . . 4841 2
94 . 2 2 13 13 GLU HA H 1 4.177 0.03 . 1 . . . . . . . . 4841 2
95 . 2 2 13 13 GLU HB2 H 1 2.107 0.03 . 4 . . . . . . . . 4841 2
96 . 2 2 13 13 GLU HB3 H 1 2.251 0.03 . 4 . . . . . . . . 4841 2
97 . 2 2 13 13 GLU HG2 H 1 2.470 0.03 . 4 . . . . . . . . 4841 2
98 . 2 2 13 13 GLU HG3 H 1 2.546 0.03 . 4 . . . . . . . . 4841 2
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 31 4841 2
1 30 4841 2
1 29 4841 2
1 28 4841 2
2 42 4841 2
2 41 4841 2
2 40 4841 2
3 47 4841 2
3 46 4841 2
3 45 4841 2
4 86 4841 2
4 85 4841 2
4 84 4841 2
5 98 4841 2
5 97 4841 2
5 96 4841 2
5 95 4841 2
stop_
save_