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 30900
_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' . . . 30900 1
2 '2D 1H-1H NOESY' . . . 30900 1
3 '2D 1H-13C HSQC' . . . 30900 1
4 '2D 1H-15N HSQC' . . . 30900 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 ILE H H 1 8.467 0.0 . 1 . . . . A 1 ILE H1 . 30900 1
2 . 1 . 1 1 1 ILE HA H 1 4.0059 0.0 . 1 . . . . A 1 ILE HA . 30900 1
3 . 1 . 1 1 1 ILE HB H 1 2.05914285714 0.0 . 1 . . . . A 1 ILE HB . 30900 1
4 . 1 . 1 1 1 ILE HG21 H 1 1.06642857143 0.0 . 1 . . . . A 1 ILE HG21 . 30900 1
5 . 1 . 1 1 1 ILE HG22 H 1 1.06642857143 0.0 . 1 . . . . A 1 ILE HG22 . 30900 1
6 . 1 . 1 1 1 ILE HG23 H 1 1.06642857143 0.0 . 1 . . . . A 1 ILE HG23 . 30900 1
7 . 1 . 1 1 1 ILE HD11 H 1 0.969666666667 0.0 . 1 . . . . A 1 ILE HD11 . 30900 1
8 . 1 . 1 1 1 ILE HD12 H 1 0.969666666667 0.0 . 1 . . . . A 1 ILE HD12 . 30900 1
9 . 1 . 1 1 1 ILE HD13 H 1 0.969666666667 0.0 . 1 . . . . A 1 ILE HD13 . 30900 1
10 . 1 . 1 2 2 TRP H H 1 8.31415384615 0.0 . 1 . . . . A 2 TRP H . 30900 1
11 . 1 . 1 2 2 TRP HA H 1 4.928 0.0 . 1 . . . . A 2 TRP HA . 30900 1
12 . 1 . 1 2 2 TRP HB2 H 1 3.369 0.0 . 2 . . . . A 2 TRP HB2 . 30900 1
13 . 1 . 1 2 2 TRP HE3 H 1 7.428 0.0 . 1 . . . . A 2 TRP HE3 . 30900 1
14 . 1 . 1 3 3 LEU H H 1 7.44992307692 0.0 . 1 . . . . A 3 LEU H . 30900 1
15 . 1 . 1 3 3 LEU HA H 1 4.0856 0.0 . 1 . . . . A 3 LEU HA . 30900 1
16 . 1 . 1 3 3 LEU HB2 H 1 1.4277 0.0 . 2 . . . . A 3 LEU HB2 . 30900 1
17 . 1 . 1 3 3 LEU HD21 H 1 0.8255 0.0 . 2 . . . . A 3 LEU HD21 . 30900 1
18 . 1 . 1 3 3 LEU HD22 H 1 0.8255 0.0 . 2 . . . . A 3 LEU HD22 . 30900 1
19 . 1 . 1 3 3 LEU HD23 H 1 0.8255 0.0 . 2 . . . . A 3 LEU HD23 . 30900 1
20 . 1 . 1 4 4 THR H H 1 7.448 0.0 . 1 . . . . A 4 THR H . 30900 1
21 . 1 . 1 4 4 THR HA H 1 3.864875 0.0 . 1 . . . . A 4 THR HA . 30900 1
22 . 1 . 1 4 4 THR HG21 H 1 1.25183333333 0.0 . 1 . . . . A 4 THR HG1 . 30900 1
23 . 1 . 1 4 4 THR HG22 H 1 1.25183333333 0.0 . 1 . . . . A 4 THR HG1 . 30900 1
24 . 1 . 1 4 4 THR HG23 H 1 1.25183333333 0.0 . 1 . . . . A 4 THR HG1 . 30900 1
25 . 1 . 1 5 5 ALA H H 1 7.32071428571 0.0 . 1 . . . . A 5 ALA H . 30900 1
26 . 1 . 1 5 5 ALA HA H 1 4.20866666667 0.0 . 1 . . . . A 5 ALA HA . 30900 1
27 . 1 . 1 6 6 LEU H H 1 7.69508333333 0.0 . 1 . . . . A 6 LEU H . 30900 1
28 . 1 . 1 6 6 LEU HA H 1 4.20333333333 0.0 . 1 . . . . A 6 LEU HA . 30900 1
29 . 1 . 1 6 6 LEU HB2 H 1 1.7315 0.0 . 2 . . . . A 6 LEU HB2 . 30900 1
30 . 1 . 1 6 6 LEU HD11 H 1 0.969666666667 0.0 . 2 . . . . A 6 LEU HD11 . 30900 1
31 . 1 . 1 6 6 LEU HD12 H 1 0.969666666667 0.0 . 2 . . . . A 6 LEU HD12 . 30900 1
32 . 1 . 1 6 6 LEU HD13 H 1 0.969666666667 0.0 . 2 . . . . A 6 LEU HD13 . 30900 1
33 . 1 . 1 7 7 LYS H H 1 8.04514285714 0.0 . 1 . . . . A 7 LYS H . 30900 1
34 . 1 . 1 7 7 LYS HA H 1 4.1027 0.0 . 1 . . . . A 7 LYS HA . 30900 1
35 . 1 . 1 7 7 LYS HG2 H 1 1.4532 0.0 . 2 . . . . A 7 LYS HG2 . 30900 1
36 . 1 . 1 8 8 PHE H H 1 8.07575 0.0 . 1 . . . . A 8 PHE H . 30900 1
37 . 1 . 1 8 8 PHE HA H 1 4.3564375 0.0 . 1 . . . . A 8 PHE HA . 30900 1
38 . 1 . 1 8 8 PHE HB2 H 1 3.2685 0.0 . 2 . . . . A 8 PHE HB2 . 30900 1
39 . 1 . 1 9 9 LEU H H 1 8.6974 0.0 . 1 . . . . A 9 LEU H . 30900 1
40 . 1 . 1 9 9 LEU HA H 1 4.445875 0.0 . 1 . . . . A 9 LEU HA . 30900 1
41 . 1 . 1 9 9 LEU HB2 H 1 1.76511111111 0.0 . 2 . . . . A 9 LEU HB2 . 30900 1
42 . 1 . 1 9 9 LEU HD11 H 1 1.01366666667 0.0 . 2 . . . . A 9 LEU HD11 . 30900 1
43 . 1 . 1 9 9 LEU HD12 H 1 1.01366666667 0.0 . 2 . . . . A 9 LEU HD12 . 30900 1
44 . 1 . 1 9 9 LEU HD13 H 1 1.01366666667 0.0 . 2 . . . . A 9 LEU HD13 . 30900 1
45 . 1 . 1 10 10 GLY H H 1 8.57911764706 0.0 . 1 . . . . A 10 GLY H . 30900 1
46 . 1 . 1 10 10 GLY HA2 H 1 3.87618181818 0.0 . 2 . . . . A 10 GLY HA2 . 30900 1
47 . 1 . 1 11 11 LYS H H 1 8.12252173913 0.0 . 1 . . . . A 11 LYS H . 30900 1
48 . 1 . 1 11 11 LYS HA H 1 4.23166666667 0.0 . 1 . . . . A 11 LYS HA . 30900 1
49 . 1 . 1 11 11 LYS HB2 H 1 1.9285 0.0 . 2 . . . . A 11 LYS HB2 . 30900 1
50 . 1 . 1 11 11 LYS HG2 H 1 1.54314285714 0.0 . 2 . . . . A 11 LYS HG2 . 30900 1
51 . 1 . 1 12 12 ASN H H 1 8.01064285714 0.0 . 1 . . . . A 12 ASN H . 30900 1
52 . 1 . 1 12 12 ASN HA H 1 4.56223076923 0.0 . 1 . . . . A 12 ASN HA . 30900 1
53 . 1 . 1 12 12 ASN HB2 H 1 2.733 0.0 . 2 . . . . A 12 ASN HB2 . 30900 1
54 . 1 . 1 13 13 LEU H H 1 8.79157142857 0.0 . 1 . . . . A 13 LEU H . 30900 1
55 . 1 . 1 13 13 LEU HA H 1 4.25155555556 0.0 . 1 . . . . A 13 LEU HA . 30900 1
56 . 1 . 1 13 13 LEU HD11 H 1 0.952571428571 0.0 . 2 . . . . A 13 LEU HD11 . 30900 1
57 . 1 . 1 13 13 LEU HD12 H 1 0.952571428571 0.0 . 2 . . . . A 13 LEU HD12 . 30900 1
58 . 1 . 1 13 13 LEU HD13 H 1 0.952571428571 0.0 . 2 . . . . A 13 LEU HD13 . 30900 1
59 . 1 . 1 14 14 GLY H H 1 8.467125 0.0 . 1 . . . . A 14 GLY H . 30900 1
60 . 1 . 1 14 14 GLY HA2 H 1 3.86736363636 0.0 . 2 . . . . A 14 GLY HA2 . 30900 1
61 . 1 . 1 15 15 LYS H H 1 7.95733333333 0.0 . 1 . . . . A 15 LYS H . 30900 1
62 . 1 . 1 15 15 LYS HA H 1 4.16875 0.0 . 1 . . . . A 15 LYS HA . 30900 1
63 . 1 . 1 15 15 LYS HB2 H 1 1.933 0.0 . 2 . . . . A 15 LYS HB2 . 30900 1
64 . 1 . 1 15 15 LYS HG2 H 1 1.5102 0.0 . 2 . . . . A 15 LYS HG2 . 30900 1
65 . 1 . 1 16 16 HIS H H 1 7.998125 0.0 . 1 . . . . A 16 HIS H . 30900 1
66 . 1 . 1 16 16 HIS HA H 1 4.37877777778 0.0 . 1 . . . . A 16 HIS HA . 30900 1
67 . 1 . 1 17 17 LEU H H 1 8.5384 0.0 . 1 . . . . A 17 LEU H . 30900 1
68 . 1 . 1 17 17 LEU HA H 1 4.21855555556 0.0 . 1 . . . . A 17 LEU HA . 30900 1
69 . 1 . 1 17 17 LEU HB2 H 1 1.65525 0.0 . 2 . . . . A 17 LEU HB2 . 30900 1
70 . 1 . 1 17 17 LEU HD11 H 1 0.968333333333 0.0 . 2 . . . . A 17 LEU HD11 . 30900 1
71 . 1 . 1 17 17 LEU HD12 H 1 0.968333333333 0.0 . 2 . . . . A 17 LEU HD12 . 30900 1
72 . 1 . 1 17 17 LEU HD13 H 1 0.968333333333 0.0 . 2 . . . . A 17 LEU HD13 . 30900 1
73 . 1 . 1 18 18 ALA H H 1 8.34613333333 0.0 . 1 . . . . A 18 ALA H . 30900 1
74 . 1 . 1 18 18 ALA HA H 1 3.141 0.0 . 1 . . . . A 18 ALA HA . 30900 1
75 . 1 . 1 18 18 ALA HB1 H 1 1.523 0.0 . 1 . . . . A 18 ALA HB1 . 30900 1
76 . 1 . 1 18 18 ALA HB2 H 1 1.523 0.0 . 1 . . . . A 18 ALA HB2 . 30900 1
77 . 1 . 1 18 18 ALA HB3 H 1 1.523 0.0 . 1 . . . . A 18 ALA HB3 . 30900 1
78 . 1 . 1 19 19 LYS H H 1 7.9945 0.0 . 1 . . . . A 19 LYS H . 30900 1
79 . 1 . 1 19 19 LYS HA H 1 4.03158333333 0.0 . 1 . . . . A 19 LYS HA . 30900 1
80 . 1 . 1 20 20 GLN H H 1 8.009 0.0 . 1 . . . . A 20 GLN H . 30900 1
81 . 1 . 1 20 20 GLN HA H 1 4.1255 0.0 . 1 . . . . A 20 GLN HA . 30900 1
82 . 1 . 1 20 20 GLN HG2 H 1 2.43442857143 0.0 . 2 . . . . A 20 GLN HG2 . 30900 1
83 . 1 . 1 21 21 GLN H H 1 8.09322222222 0.0 . 1 . . . . A 21 GLN H . 30900 1
84 . 1 . 1 21 21 GLN HA H 1 4.1925 0.0 . 1 . . . . A 21 GLN HA . 30900 1
85 . 1 . 1 21 21 GLN HB2 H 1 2.2366 0.0 . 2 . . . . A 21 GLN HB2 . 30900 1
86 . 1 . 1 22 22 LEU H H 1 8.26081818182 0.0 . 1 . . . . A 22 LEU H . 30900 1
87 . 1 . 1 22 22 LEU HA H 1 4.1994 0.0 . 1 . . . . A 22 LEU HA . 30900 1
88 . 1 . 1 22 22 LEU HB2 H 1 1.64875 0.0 . 2 . . . . A 22 LEU HB2 . 30900 1
89 . 1 . 1 22 22 LEU HD11 H 1 0.947857142857 0.0 . 2 . . . . A 22 LEU HD11 . 30900 1
90 . 1 . 1 22 22 LEU HD12 H 1 0.947857142857 0.0 . 2 . . . . A 22 LEU HD12 . 30900 1
91 . 1 . 1 22 22 LEU HD13 H 1 0.947857142857 0.0 . 2 . . . . A 22 LEU HD13 . 30900 1
92 . 1 . 1 23 23 ALA H H 1 8.01244444444 0.0 . 1 . . . . A 23 ALA H . 30900 1
93 . 1 . 1 23 23 ALA HA H 1 4.204 0.0 . 1 . . . . A 23 ALA HA . 30900 1
94 . 1 . 1 23 23 ALA HB1 H 1 1.554 0.0 . 1 . . . . A 23 ALA HB1 . 30900 1
95 . 1 . 1 23 23 ALA HB2 H 1 1.554 0.0 . 1 . . . . A 23 ALA HB2 . 30900 1
96 . 1 . 1 23 23 ALA HB3 H 1 1.554 0.0 . 1 . . . . A 23 ALA HB3 . 30900 1
97 . 1 . 1 24 24 LYS H H 1 7.68588888889 0.0 . 1 . . . . A 24 LYS H . 30900 1
98 . 1 . 1 24 24 LYS HA H 1 4.20083333333 0.0 . 1 . . . . A 24 LYS HA . 30900 1
99 . 1 . 1 24 24 LYS HG2 H 1 1.54785714286 0.0 . 2 . . . . A 24 LYS HG2 . 30900 1
100 . 1 . 1 25 25 LEU H H 1 7.80942857143 0.0 . 1 . . . . A 25 LEU H . 30900 1
101 . 1 . 1 25 25 LEU HA H 1 4.28875 0.0 . 1 . . . . A 25 LEU HA . 30900 1
102 . 1 . 1 25 25 LEU HB3 H 1 1.67328571429 0.0 . 2 . . . . A 25 LEU HB3 . 30900 1
103 . 1 . 1 25 25 LEU HD11 H 1 1.01225 0.0 . 2 . . . . A 25 LEU HD11 . 30900 1
104 . 1 . 1 25 25 LEU HD12 H 1 1.01225 0.0 . 2 . . . . A 25 LEU HD12 . 30900 1
105 . 1 . 1 25 25 LEU HD13 H 1 1.01225 0.0 . 2 . . . . A 25 LEU HD13 . 30900 1
stop_
save_