Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 17657
_Assigned_chem_shift_list.ID 1
_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 $chemical_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
2 '2D 1H-1H TOCSY' . . . 17657 1
3 '2D 1H-1H NOESY' . . . 17657 1
5 '2D 1H-1H TOCSY' . . . 17657 1
6 '2D 1H-1H NOESY' . . . 17657 1
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 . 1 1 1 1 ACE H1 H 1 2.02909 0.02 . 1 . . . . 0 Ace H* . 17657 1
2 . 1 1 1 1 ACE H2 H 1 2.02909 0.02 . 1 . . . . 0 Ace H* . 17657 1
3 . 1 1 1 1 ACE H3 H 1 2.02909 0.02 . 1 . . . . 0 Ace H* . 17657 1
4 . 1 1 2 2 HIS H H 1 8.55692 0.02 . 1 . . . A 1 HIS H . 17657 1
5 . 1 1 2 2 HIS HA H 1 4.55262 0.02 . 1 . . . A 1 HIS HA . 17657 1
6 . 1 1 2 2 HIS HB2 H 1 3.18575 0.02 . 2 . . . A 1 HIS HB2 . 17657 1
7 . 1 1 2 2 HIS HB3 H 1 3.25899 0.02 . 2 . . . A 1 HIS HB3 . 17657 1
8 . 1 1 2 2 HIS HD2 H 1 7.30675 0.02 . 1 . . . A 1 HIS HD2 . 17657 1
9 . 1 1 2 2 HIS HE1 H 1 8.60225 0.02 . 1 . . . A 1 HIS HE1 . 17657 1
10 . 1 1 3 3 LYS H H 1 8.52862 0.02 . 1 . . . A 2 LYS H . 17657 1
11 . 1 1 3 3 LYS HA H 1 4.16377 0.02 . 1 . . . A 2 LYS HA . 17657 1
12 . 1 1 3 3 LYS HB2 H 1 1.81021 0.02 . 2 . . . A 2 LYS HB2 . 17657 1
13 . 1 1 3 3 LYS HB3 H 1 1.84463 0.02 . 2 . . . A 2 LYS HB3 . 17657 1
14 . 1 1 3 3 LYS HG2 H 1 1.38623 0.02 . 2 . . . A 2 LYS HG2 . 17657 1
15 . 1 1 3 3 LYS HG3 H 1 1.48246 0.02 . 2 . . . A 2 LYS HG3 . 17657 1
16 . 1 1 3 3 LYS HD2 H 1 1.68879 0.02 . 2 . . . A 2 LYS HD2 . 17657 1
17 . 1 1 3 3 LYS HD3 H 1 1.68787 0.02 . 2 . . . A 2 LYS HD3 . 17657 1
18 . 1 1 3 3 LYS HE2 H 1 2.98673 0.02 . 2 . . . A 2 LYS HE2 . 17657 1
19 . 1 1 3 3 LYS HE3 H 1 2.99996 0.02 . 2 . . . A 2 LYS HE3 . 17657 1
20 . 1 1 4 4 MK8 HB H 1 1.81551 0.02 . 2 . . . . 3 Mk8 HB . 17657 1
21 . 1 1 4 4 MK8 HB1 H 1 1.44772 0.02 . 1 . . . . 3 Mk8 HB1* . 17657 1
22 . 1 1 4 4 MK8 HB1A H 1 1.44772 0.02 . 1 . . . . 3 Mk8 HB1* . 17657 1
23 . 1 1 4 4 MK8 HB1B H 1 1.44772 0.02 . 1 . . . . 3 Mk8 HB1* . 17657 1
24 . 1 1 4 4 MK8 HBA H 1 2.01589 0.02 . 2 . . . . 3 Mk8 HBA . 17657 1
25 . 1 1 4 4 MK8 HD H 1 1.77274 0.02 . 2 . . . . 3 Mk8 HD . 17657 1
26 . 1 1 4 4 MK8 HDA H 1 1.97697 0.02 . 2 . . . . 3 Mk8 HDA . 17657 1
27 . 1 1 4 4 MK8 HE H 1 5.33290 0.02 . 1 . . . . 3 Mk8 HE . 17657 1
28 . 1 1 4 4 MK8 HG H 1 1.17348 0.02 . 2 . . . . 3 Mk8 HG . 17657 1
29 . 1 1 4 4 MK8 HGA H 1 1.55543 0.02 . 2 . . . . 3 Mk8 HGA . 17657 1
30 . 1 1 4 4 MK8 HN H 1 8.29468 0.02 . 1 . . . A 3 MK8 HN . 17657 1
31 . 1 1 5 5 LEU H H 1 8.07836 0.02 . 1 . . . . 4 Leu H . 17657 1
32 . 1 1 5 5 LEU HA H 1 3.97088 0.02 . 1 . . . A 4 LEU HA . 17657 1
33 . 1 1 5 5 LEU HB2 H 1 1.57000 0.02 . 2 . . . A 4 LEU HB2 . 17657 1
34 . 1 1 5 5 LEU HB3 H 1 1.64701 0.02 . 2 . . . A 4 LEU HB3 . 17657 1
35 . 1 1 5 5 LEU HG H 1 1.57000 0.02 . 1 . . . A 4 LEU HG . 17657 1
36 . 1 1 5 5 LEU HD11 H 1 0.85343 0.02 . 2 . . . A 4 LEU HD11 . 17657 1
37 . 1 1 5 5 LEU HD12 H 1 0.85343 0.02 . 2 . . . A 4 LEU HD12 . 17657 1
38 . 1 1 5 5 LEU HD13 H 1 0.85343 0.02 . 2 . . . A 4 LEU HD13 . 17657 1
39 . 1 1 5 5 LEU HD21 H 1 0.86595 0.02 . 2 . . . A 4 LEU HD21 . 17657 1
40 . 1 1 5 5 LEU HD22 H 1 0.86595 0.02 . 2 . . . A 4 LEU HD22 . 17657 1
41 . 1 1 5 5 LEU HD23 H 1 0.86595 0.02 . 2 . . . A 4 LEU HD23 . 17657 1
42 . 1 1 6 6 HIS H H 1 8.01924 0.02 . 1 . . . A 5 HIS H . 17657 1
43 . 1 1 6 6 HIS HA H 1 4.27475 0.02 . 1 . . . A 5 HIS HA . 17657 1
44 . 1 1 6 6 HIS HB2 H 1 3.39508 0.02 . 2 . . . A 5 HIS HB2 . 17657 1
45 . 1 1 6 6 HIS HB3 H 1 3.39554 0.02 . 2 . . . A 5 HIS HB3 . 17657 1
46 . 1 1 6 6 HIS HD2 H 1 7.28292 0.02 . 1 . . . A 5 HIS HD2 . 17657 1
47 . 1 1 6 6 HIS HE1 H 1 8.59676 0.02 . 1 . . . A 5 HIS HE1 . 17657 1
48 . 1 1 7 7 GLN H H 1 7.76142 0.02 . 1 . . . A 6 GLN H . 17657 1
49 . 1 1 7 7 GLN HA H 1 4.11759 0.02 . 1 . . . A 6 GLN HA . 17657 1
50 . 1 1 7 7 GLN HB2 H 1 2.11106 0.02 . 2 . . . A 6 GLN HB2 . 17657 1
51 . 1 1 7 7 GLN HB3 H 1 2.24570 0.02 . 2 . . . A 6 GLN HB3 . 17657 1
52 . 1 1 7 7 GLN HG2 H 1 2.34007 0.02 . 2 . . . A 6 GLN HG2 . 17657 1
53 . 1 1 7 7 GLN HG3 H 1 2.40965 0.02 . 2 . . . A 6 GLN HG3 . 17657 1
54 . 1 1 7 7 GLN HE21 H 1 6.85660 0.02 . 2 . . . A 6 GLN HE21 . 17657 1
55 . 1 1 7 7 GLN HE22 H 1 7.61036 0.02 . 2 . . . A 6 GLN HE22 . 17657 1
56 . 1 1 8 8 MK8 HB H 1 1.57184 0.02 . 2 . . . . 7 Mk8 HB . 17657 1
57 . 1 1 8 8 MK8 HB1 H 1 1.45701 0.02 . 1 . . . . 7 Mk8 HB1* . 17657 1
58 . 1 1 8 8 MK8 HB1A H 1 1.45701 0.02 . 1 . . . . 7 Mk8 HB1* . 17657 1
59 . 1 1 8 8 MK8 HB1B H 1 1.45701 0.02 . 1 . . . . 7 Mk8 HB1* . 17657 1
60 . 1 1 8 8 MK8 HBA H 1 2.06412 0.02 . 2 . . . . 7 Mk8 HBA . 17657 1
61 . 1 1 8 8 MK8 HD H 1 1.69365 0.02 . 2 . . . . 7 Mk8 HD . 17657 1
62 . 1 1 8 8 MK8 HDA H 1 2.07207 0.02 . 2 . . . . 7 Mk8 HDA . 17657 1
63 . 1 1 8 8 MK8 HE H 1 5.41919 0.02 . 1 . . . . 7 Mk8 HE . 17657 1
64 . 1 1 8 8 MK8 HG H 1 1.37523 0.02 . 2 . . . . 7 Mk8 HG . 17657 1
65 . 1 1 8 8 MK8 HGA H 1 1.35319 0.02 . 2 . . . . 7 Mk8 HGA . 17657 1
66 . 1 1 8 8 MK8 HN H 1 8.31548 0.02 . 1 . . . A 7 MK8 HN . 17657 1
67 . 1 1 9 9 LEU H H 1 7.89217 0.02 . 1 . . . . 8 Leu H . 17657 1
68 . 1 1 9 9 LEU HA H 1 4.13405 0.02 . 1 . . . A 8 LEU HA . 17657 1
69 . 1 1 9 9 LEU HB2 H 1 1.54719 0.02 . 2 . . . A 8 LEU HB2 . 17657 1
70 . 1 1 9 9 LEU HB3 H 1 1.73385 0.02 . 2 . . . A 8 LEU HB3 . 17657 1
71 . 1 1 9 9 LEU HG H 1 1.74350 0.02 . 1 . . . A 8 LEU HG . 17657 1
72 . 1 1 9 9 LEU HD11 H 1 0.82293 0.02 . 2 . . . A 8 LEU HD11 . 17657 1
73 . 1 1 9 9 LEU HD12 H 1 0.82293 0.02 . 2 . . . A 8 LEU HD12 . 17657 1
74 . 1 1 9 9 LEU HD13 H 1 0.82293 0.02 . 2 . . . A 8 LEU HD13 . 17657 1
75 . 1 1 9 9 LEU HD21 H 1 0.83960 0.02 . 2 . . . A 8 LEU HD21 . 17657 1
76 . 1 1 9 9 LEU HD22 H 1 0.83960 0.02 . 2 . . . A 8 LEU HD22 . 17657 1
77 . 1 1 9 9 LEU HD23 H 1 0.83960 0.02 . 2 . . . A 8 LEU HD23 . 17657 1
78 . 1 1 10 10 GLN H H 1 7.86048 0.02 . 1 . . . A 9 GLN H . 17657 1
79 . 1 1 10 10 GLN HA H 1 4.15888 0.02 . 1 . . . A 9 GLN HA . 17657 1
80 . 1 1 10 10 GLN HB2 H 1 2.09850 0.02 . 2 . . . A 9 GLN HB2 . 17657 1
81 . 1 1 10 10 GLN HB3 H 1 2.14283 0.02 . 2 . . . A 9 GLN HB3 . 17657 1
82 . 1 1 10 10 GLN HG2 H 1 2.38818 0.02 . 2 . . . A 9 GLN HG2 . 17657 1
83 . 1 1 10 10 GLN HG3 H 1 2.38818 0.02 . 2 . . . A 9 GLN HG3 . 17657 1
84 . 1 1 10 10 GLN HE21 H 1 6.85615 0.02 . 2 . . . A 9 GLN HE21 . 17657 1
85 . 1 1 10 10 GLN HE22 H 1 7.45188 0.02 . 2 . . . A 9 GLN HE22 . 17657 1
86 . 1 1 11 11 ASP H H 1 8.17147 0.02 . 1 . . . A 10 ASP H . 17657 1
87 . 1 1 11 11 ASP HA H 1 4.68081 0.02 . 1 . . . A 10 ASP HA . 17657 1
88 . 1 1 11 11 ASP HB2 H 1 2.72204 0.02 . 2 . . . A 10 ASP HB2 . 17657 1
89 . 1 1 11 11 ASP HB3 H 1 2.83106 0.02 . 2 . . . A 10 ASP HB3 . 17657 1
90 . 1 1 12 12 SER H H 1 8.07607 0.02 . 1 . . . A 11 SER H . 17657 1
91 . 1 1 12 12 SER HA H 1 4.39027 0.02 . 1 . . . A 11 SER HA . 17657 1
92 . 1 1 12 12 SER HB2 H 1 3.90399 0.02 . 2 . . . A 11 SER HB2 . 17657 1
93 . 1 1 12 12 SER HB3 H 1 3.95588 0.02 . 2 . . . A 11 SER HB3 . 17657 1
94 . 1 1 13 13 NH2 HN1 H 1 7.21122 0.02 . 2 . . . A 12 NH2 HN1 . 17657 1
95 . 1 1 13 13 NH2 HN2 H 1 7.52367 0.02 . 2 . . . A 12 NH2 HN2 . 17657 1
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