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 17658
_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' . . . 17658 1
3 '2D 1H-1H NOESY' . . . 17658 1
5 '2D 1H-1H TOCSY' . . . 17658 1
6 '2D 1H-1H NOESY' . . . 17658 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 2.02050 0.02 . 1 . . . . 0 Ace H* . 17658 1
2 . 1 1 1 1 ACE H2 H 1 2.02050 0.02 . 1 . . . . 0 Ace H* . 17658 1
3 . 1 1 1 1 ACE H3 H 1 2.02050 0.02 . 1 . . . . 0 Ace H* . 17658 1
4 . 1 1 2 2 HIS H H 1 8.57097 0.02 . 1 . . . A 1 HIS H . 17658 1
5 . 1 1 2 2 HIS HA H 1 4.49069 0.02 . 1 . . . A 1 HIS HA . 17658 1
6 . 1 1 2 2 HIS HB2 H 1 3.25206 0.02 . 2 . . . A 1 HIS HB2 . 17658 1
7 . 1 1 2 2 HIS HB3 H 1 3.27214 0.02 . 2 . . . A 1 HIS HB3 . 17658 1
8 . 1 1 2 2 HIS HD2 H 1 7.35658 0.02 . 1 . . . A 1 HIS HD2 . 17658 1
9 . 1 1 2 2 HIS HE1 H 1 8.67660 0.02 . 1 . . . A 1 HIS HE1 . 17658 1
10 . 1 1 3 3 MK8 HB H 1 1.81921 0.02 . 2 . . . . 2 Mk8 HB . 17658 1
11 . 1 1 3 3 MK8 HB1 H 1 1.42206 0.02 . 1 . . . . 2 Mk8 HB1* . 17658 1
12 . 1 1 3 3 MK8 HB1A H 1 1.42206 0.02 . 1 . . . . 2 Mk8 HB1* . 17658 1
13 . 1 1 3 3 MK8 HB1B H 1 1.42206 0.02 . 1 . . . . 2 Mk8 HB1* . 17658 1
14 . 1 1 3 3 MK8 HBA H 1 2.08352 0.02 . 2 . . . . 2 Mk8 HBA . 17658 1
15 . 1 1 3 3 MK8 HD H 1 1.65913 0.02 . 2 . . . . 2 Mk8 HD . 17658 1
16 . 1 1 3 3 MK8 HDA H 1 1.94809 0.02 . 2 . . . . 2 Mk8 HDA . 17658 1
17 . 1 1 3 3 MK8 HE H 1 5.36599 0.02 . 1 . . . . 2 Mk8 HE . 17658 1
18 . 1 1 3 3 MK8 HG H 1 1.19071 0.02 . 2 . . . . 2 Mk8 HG . 17658 1
19 . 1 1 3 3 MK8 HGA H 1 1.65662 0.02 . 2 . . . . 2 Mk8 HGA . 17658 1
20 . 1 1 3 3 MK8 HN H 1 8.52990 0.02 . 1 . . . A 2 MK8 HN . 17658 1
21 . 1 1 4 4 ILE H H 1 8.20311 0.02 . 1 . . . . 3 Ile H . 17658 1
22 . 1 1 4 4 ILE HA H 1 3.80371 0.02 . 1 . . . A 3 ILE HA . 17658 1
23 . 1 1 4 4 ILE HB H 1 1.98688 0.02 . 1 . . . A 3 ILE HB . 17658 1
24 . 1 1 4 4 ILE HG12 H 1 1.21941 0.02 . 2 . . . A 3 ILE HG12 . 17658 1
25 . 1 1 4 4 ILE HG13 H 1 1.59955 0.02 . 2 . . . A 3 ILE HG13 . 17658 1
26 . 1 1 4 4 ILE HG21 H 1 0.88584 0.02 . 1 . . . A 3 ILE HG21 . 17658 1
27 . 1 1 4 4 ILE HG22 H 1 0.88584 0.02 . 1 . . . A 3 ILE HG22 . 17658 1
28 . 1 1 4 4 ILE HG23 H 1 0.88584 0.02 . 1 . . . A 3 ILE HG23 . 17658 1
29 . 1 1 4 4 ILE HD11 H 1 0.88583 0.02 . 1 . . . A 3 ILE HD11 . 17658 1
30 . 1 1 4 4 ILE HD12 H 1 0.88583 0.02 . 1 . . . A 3 ILE HD12 . 17658 1
31 . 1 1 4 4 ILE HD13 H 1 0.88583 0.02 . 1 . . . A 3 ILE HD13 . 17658 1
32 . 1 1 5 5 LEU H H 1 7.50676 0.02 . 1 . . . A 4 LEU H . 17658 1
33 . 1 1 5 5 LEU HA H 1 3.99290 0.02 . 1 . . . A 4 LEU HA . 17658 1
34 . 1 1 5 5 LEU HB2 H 1 1.64668 0.02 . 2 . . . A 4 LEU HB2 . 17658 1
35 . 1 1 5 5 LEU HB3 H 1 1.77845 0.02 . 2 . . . A 4 LEU HB3 . 17658 1
36 . 1 1 5 5 LEU HG H 1 1.64668 0.02 . 1 . . . A 4 LEU HG . 17658 1
37 . 1 1 5 5 LEU HD11 H 1 0.81622 0.02 . 2 . . . A 4 LEU HD11 . 17658 1
38 . 1 1 5 5 LEU HD12 H 1 0.81622 0.02 . 2 . . . A 4 LEU HD12 . 17658 1
39 . 1 1 5 5 LEU HD13 H 1 0.81622 0.02 . 2 . . . A 4 LEU HD13 . 17658 1
40 . 1 1 5 5 LEU HD21 H 1 0.89223 0.02 . 2 . . . A 4 LEU HD21 . 17658 1
41 . 1 1 5 5 LEU HD22 H 1 0.89223 0.02 . 2 . . . A 4 LEU HD22 . 17658 1
42 . 1 1 5 5 LEU HD23 H 1 0.89223 0.02 . 2 . . . A 4 LEU HD23 . 17658 1
43 . 1 1 6 6 HIS H H 1 7.53351 0.02 . 1 . . . A 5 HIS H . 17658 1
44 . 1 1 6 6 HIS HA H 1 4.29877 0.02 . 1 . . . A 5 HIS HA . 17658 1
45 . 1 1 6 6 HIS HB2 H 1 3.28202 0.02 . 2 . . . A 5 HIS HB2 . 17658 1
46 . 1 1 6 6 HIS HB3 H 1 3.42394 0.02 . 2 . . . A 5 HIS HB3 . 17658 1
47 . 1 1 6 6 HIS HD2 H 1 7.30250 0.02 . 1 . . . A 5 HIS HD2 . 17658 1
48 . 1 1 6 6 HIS HE1 H 1 8.66997 0.02 . 1 . . . A 5 HIS HE1 . 17658 1
49 . 1 1 7 7 MK8 HB H 1 2.08383 0.02 . 2 . . . . 6 Mk8 HB . 17658 1
50 . 1 1 7 7 MK8 HB1 H 1 1.34892 0.02 . 1 . . . . 6 Mk8 HB1* . 17658 1
51 . 1 1 7 7 MK8 HB1A H 1 1.34892 0.02 . 1 . . . . 6 Mk8 HB1* . 17658 1
52 . 1 1 7 7 MK8 HB1B H 1 1.34892 0.02 . 1 . . . . 6 Mk8 HB1* . 17658 1
53 . 1 1 7 7 MK8 HD H 1 1.62482 0.02 . 2 . . . . 6 Mk8 HD . 17658 1
54 . 1 1 7 7 MK8 HDA H 1 2.08159 0.02 . 2 . . . . 6 Mk8 HDA . 17658 1
55 . 1 1 7 7 MK8 HE H 1 5.46645 0.02 . 1 . . . . 6 Mk8 HE . 17658 1
56 . 1 1 7 7 MK8 HN H 1 8.24615 0.02 . 1 . . . A 6 MK8 HN . 17658 1
57 . 1 1 8 8 LEU H H 1 8.04263 0.02 . 1 . . . . 7 Leu H . 17658 1
58 . 1 1 8 8 LEU HA H 1 4.00181 0.02 . 1 . . . A 7 LEU HA . 17658 1
59 . 1 1 8 8 LEU HB2 H 1 1.47993 0.02 . 2 . . . A 7 LEU HB2 . 17658 1
60 . 1 1 8 8 LEU HB3 H 1 1.83465 0.02 . 2 . . . A 7 LEU HB3 . 17658 1
61 . 1 1 8 8 LEU HG H 1 1.83145 0.02 . 1 . . . A 7 LEU HG . 17658 1
62 . 1 1 8 8 LEU HD11 H 1 0.80057 0.02 . 2 . . . A 7 LEU HD11 . 17658 1
63 . 1 1 8 8 LEU HD12 H 1 0.80057 0.02 . 2 . . . A 7 LEU HD12 . 17658 1
64 . 1 1 8 8 LEU HD13 H 1 0.80057 0.02 . 2 . . . A 7 LEU HD13 . 17658 1
65 . 1 1 8 8 LEU HD21 H 1 0.80727 0.02 . 2 . . . A 7 LEU HD21 . 17658 1
66 . 1 1 8 8 LEU HD22 H 1 0.80727 0.02 . 2 . . . A 7 LEU HD22 . 17658 1
67 . 1 1 8 8 LEU HD23 H 1 0.80727 0.02 . 2 . . . A 7 LEU HD23 . 17658 1
68 . 1 1 9 9 LEU H H 1 7.81141 0.02 . 1 . . . A 8 LEU H . 17658 1
69 . 1 1 9 9 LEU HA H 1 4.12073 0.02 . 1 . . . A 8 LEU HA . 17658 1
70 . 1 1 9 9 LEU HB2 H 1 1.58907 0.02 . 2 . . . A 8 LEU HB2 . 17658 1
71 . 1 1 9 9 LEU HB3 H 1 1.83556 0.02 . 2 . . . A 8 LEU HB3 . 17658 1
72 . 1 1 9 9 LEU HG H 1 1.77006 0.02 . 1 . . . A 8 LEU HG . 17658 1
73 . 1 1 9 9 LEU HD11 H 1 0.81756 0.02 . 2 . . . A 8 LEU HD11 . 17658 1
74 . 1 1 9 9 LEU HD12 H 1 0.81756 0.02 . 2 . . . A 8 LEU HD12 . 17658 1
75 . 1 1 9 9 LEU HD13 H 1 0.81756 0.02 . 2 . . . A 8 LEU HD13 . 17658 1
76 . 1 1 9 9 LEU HD21 H 1 0.83466 0.02 . 2 . . . A 8 LEU HD21 . 17658 1
77 . 1 1 9 9 LEU HD22 H 1 0.83466 0.02 . 2 . . . A 8 LEU HD22 . 17658 1
78 . 1 1 9 9 LEU HD23 H 1 0.83466 0.02 . 2 . . . A 8 LEU HD23 . 17658 1
79 . 1 1 10 10 GLN H H 1 7.88904 0.02 . 1 . . . A 9 GLN H . 17658 1
80 . 1 1 10 10 GLN HA H 1 4.19523 0.02 . 1 . . . A 9 GLN HA . 17658 1
81 . 1 1 10 10 GLN HB2 H 1 1.97840 0.02 . 2 . . . A 9 GLN HB2 . 17658 1
82 . 1 1 10 10 GLN HB3 H 1 2.12884 0.02 . 2 . . . A 9 GLN HB3 . 17658 1
83 . 1 1 10 10 GLN HG2 H 1 2.30736 0.02 . 2 . . . A 9 GLN HG2 . 17658 1
84 . 1 1 10 10 GLN HG3 H 1 2.30736 0.02 . 2 . . . A 9 GLN HG3 . 17658 1
85 . 1 1 10 10 GLN HE21 H 1 6.85870 0.02 . 2 . . . A 9 GLN HE21 . 17658 1
86 . 1 1 10 10 GLN HE22 H 1 7.46841 0.02 . 2 . . . A 9 GLN HE22 . 17658 1
87 . 1 1 11 11 ASP H H 1 8.25773 0.02 . 1 . . . A 10 ASP H . 17658 1
88 . 1 1 11 11 ASP HA H 1 4.70684 0.02 . 1 . . . A 10 ASP HA . 17658 1
89 . 1 1 11 11 ASP HB2 H 1 2.85290 0.02 . 2 . . . A 10 ASP HB2 . 17658 1
90 . 1 1 11 11 ASP HB3 H 1 2.91364 0.02 . 2 . . . A 10 ASP HB3 . 17658 1
91 . 1 1 12 12 SER H H 1 8.01880 0.02 . 1 . . . A 11 SER H . 17658 1
92 . 1 1 12 12 SER HA H 1 4.37946 0.02 . 1 . . . A 11 SER HA . 17658 1
93 . 1 1 12 12 SER HB2 H 1 3.89353 0.02 . 2 . . . A 11 SER HB2 . 17658 1
94 . 1 1 12 12 SER HB3 H 1 3.95398 0.02 . 2 . . . A 11 SER HB3 . 17658 1
95 . 1 1 13 13 NH2 HN1 H 1 7.23675 0.02 . 2 . . . A 12 NH2 HN1 . 17658 1
96 . 1 1 13 13 NH2 HN2 H 1 7.41265 0.02 . 2 . . . A 12 NH2 HN2 . 17658 1
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save_