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 25529
_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
1 '2D 1H-1H TOCSY' . . . 25529 1
2 '2D 1H-1H NOESY' . . . 25529 1
3 '2D 1H-1H COSY' . . . 25529 1
stop_
loop_
_Systematic_chem_shift_offset.Type
_Systematic_chem_shift_offset.Atom_type
_Systematic_chem_shift_offset.Atom_isotope_number
_Systematic_chem_shift_offset.Val
_Systematic_chem_shift_offset.Val_err
_Systematic_chem_shift_offset.Entry_ID
_Systematic_chem_shift_offset.Assigned_chem_shift_list_ID
'2H isotope effect' 'all 1H' 1 6009.615 . 25529 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 ILE HA H 1 3.8400 0.0000 . 1 . . . A 1 ILE HA . 25529 1
2 . 1 1 1 1 ILE HB H 1 1.8000 0.0000 . 1 . . . A 1 ILE HB . 25529 1
3 . 1 1 1 1 ILE HG12 H 1 1.2800 0.0000 . 1 . . . A 1 ILE HG12 . 25529 1
4 . 1 1 1 1 ILE HD11 H 1 0.7800 0.0000 . 1 . . . A 1 ILE HD11 . 25529 1
5 . 1 1 1 1 ILE HD12 H 1 0.7800 0.0000 . 1 . . . A 1 ILE HD12 . 25529 1
6 . 1 1 1 1 ILE HD13 H 1 0.7800 0.0000 . 1 . . . A 1 ILE HD13 . 25529 1
7 . 1 1 1 1 ILE H H 1 8.3400 0.0000 . 1 . . . A 1 ILE H1 . 25529 1
8 . 1 1 2 2 PHE H H 1 8.3400 0.0000 . 1 . . . A 2 PHE H . 25529 1
9 . 1 1 2 2 PHE HA H 1 4.6200 0.0000 . 1 . . . A 2 PHE HA . 25529 1
10 . 1 1 2 2 PHE HB2 H 1 3.3300 0.0000 . 1 . . . A 2 PHE HB2 . 25529 1
11 . 1 1 2 2 PHE HD2 H 1 7.2700 0.0000 . 1 . . . A 2 PHE HD2 . 25529 1
12 . 1 1 3 3 GLY H H 1 8.3500 0.0000 . 1 . . . A 3 GLY H . 25529 1
13 . 1 1 3 3 GLY HA2 H 1 4.0100 0.0000 . 1 . . . A 3 GLY HA2 . 25529 1
14 . 1 1 3 3 GLY HA3 H 1 3.9100 0.0000 . 1 . . . A 3 GLY HA3 . 25529 1
15 . 1 1 4 4 ALA H H 1 8.1000 0.0000 . 1 . . . A 4 ALA H . 25529 1
16 . 1 1 4 4 ALA HA H 1 4.3800 0.0000 . 1 . . . A 4 ALA HA . 25529 1
17 . 1 1 4 4 ALA HB1 H 1 1.4800 0.0000 . 1 . . . A 4 ALA HB1 . 25529 1
18 . 1 1 4 4 ALA HB2 H 1 1.4800 0.0000 . 1 . . . A 4 ALA HB2 . 25529 1
19 . 1 1 4 4 ALA HB3 H 1 1.4800 0.0000 . 1 . . . A 4 ALA HB3 . 25529 1
20 . 1 1 5 5 ILE H H 1 7.9200 0.0000 . 1 . . . A 5 ILE H . 25529 1
21 . 1 1 5 5 ILE HA H 1 4.0800 0.0000 . 1 . . . A 5 ILE HA . 25529 1
22 . 1 1 5 5 ILE HB H 1 2.0600 0.0000 . 1 . . . A 5 ILE HB . 25529 1
23 . 1 1 5 5 ILE HG12 H 1 0.9500 0.0000 . 1 . . . A 5 ILE HG12 . 25529 1
24 . 1 1 5 5 ILE HD11 H 1 0.9500 0.0000 . 1 . . . A 5 ILE HD11 . 25529 1
25 . 1 1 5 5 ILE HD12 H 1 0.9500 0.0000 . 1 . . . A 5 ILE HD12 . 25529 1
26 . 1 1 5 5 ILE HD13 H 1 0.9500 0.0000 . 1 . . . A 5 ILE HD13 . 25529 1
27 . 1 1 6 6 LEU H H 1 8.1900 0.0000 . 1 . . . A 6 LEU H . 25529 1
28 . 1 1 6 6 LEU HA H 1 4.2500 0.0000 . 1 . . . A 6 LEU HA . 25529 1
29 . 1 1 6 6 LEU HB2 H 1 1.7700 0.0000 . 1 . . . A 6 LEU HB2 . 25529 1
30 . 1 1 6 6 LEU HG H 1 1.6100 0.0000 . 1 . . . A 6 LEU HG . 25529 1
31 . 1 1 6 6 LEU HD11 H 1 0.9100 0.0000 . 1 . . . A 6 LEU HD11 . 25529 1
32 . 1 1 6 6 LEU HD12 H 1 0.9100 0.0000 . 1 . . . A 6 LEU HD12 . 25529 1
33 . 1 1 6 6 LEU HD13 H 1 0.9100 0.0000 . 1 . . . A 6 LEU HD13 . 25529 1
34 . 1 1 6 6 LEU HD21 H 1 0.9100 0.0000 . 1 . . . A 6 LEU HD21 . 25529 1
35 . 1 1 6 6 LEU HD22 H 1 0.9100 0.0000 . 1 . . . A 6 LEU HD22 . 25529 1
36 . 1 1 6 6 LEU HD23 H 1 0.9100 0.0000 . 1 . . . A 6 LEU HD23 . 25529 1
37 . 1 1 7 7 PRO HA H 1 4.2800 0.0000 . 1 . . . A 7 PRO HA . 25529 1
38 . 1 1 7 7 PRO HB2 H 1 2.3800 0.0000 . 1 . . . A 7 PRO HB2 . 25529 1
39 . 1 1 7 7 PRO HG2 H 1 2.0900 0.0000 . 1 . . . A 7 PRO HG2 . 25529 1
40 . 1 1 7 7 PRO HD2 H 1 3.6300 0.0000 . 1 . . . A 7 PRO HD2 . 25529 1
41 . 1 1 8 8 LEU H H 1 7.1100 0.0000 . 1 . . . A 8 LEU H . 25529 1
42 . 1 1 8 8 LEU HA H 1 4.1900 0.0000 . 1 . . . A 8 LEU HA . 25529 1
43 . 1 1 8 8 LEU HB2 H 1 1.6800 0.0000 . 1 . . . A 8 LEU HB2 . 25529 1
44 . 1 1 8 8 LEU HD11 H 1 0.9300 0.0000 . 1 . . . A 8 LEU HD11 . 25529 1
45 . 1 1 8 8 LEU HD12 H 1 0.9300 0.0000 . 1 . . . A 8 LEU HD12 . 25529 1
46 . 1 1 8 8 LEU HD13 H 1 0.9300 0.0000 . 1 . . . A 8 LEU HD13 . 25529 1
47 . 1 1 8 8 LEU HD21 H 1 0.8900 0.0000 . 1 . . . A 8 LEU HD21 . 25529 1
48 . 1 1 8 8 LEU HD22 H 1 0.8900 0.0000 . 1 . . . A 8 LEU HD22 . 25529 1
49 . 1 1 8 8 LEU HD23 H 1 0.8900 0.0000 . 1 . . . A 8 LEU HD23 . 25529 1
50 . 1 1 9 9 ALA H H 1 8.4300 0.0000 . 1 . . . A 9 ALA H . 25529 1
51 . 1 1 9 9 ALA HA H 1 4.0600 0.0000 . 1 . . . A 9 ALA HA . 25529 1
52 . 1 1 9 9 ALA HB1 H 1 1.4800 0.0000 . 1 . . . A 9 ALA HB1 . 25529 1
53 . 1 1 9 9 ALA HB2 H 1 1.4800 0.0000 . 1 . . . A 9 ALA HB2 . 25529 1
54 . 1 1 9 9 ALA HB3 H 1 1.4800 0.0000 . 1 . . . A 9 ALA HB3 . 25529 1
55 . 1 1 10 10 LEU H H 1 8.5700 0.0000 . 1 . . . A 10 LEU H . 25529 1
56 . 1 1 10 10 LEU HA H 1 4.0500 0.0000 . 1 . . . A 10 LEU HA . 25529 1
57 . 1 1 10 10 LEU HB2 H 1 1.7400 0.0000 . 1 . . . A 10 LEU HB2 . 25529 1
58 . 1 1 10 10 LEU HG H 1 1.6800 0.0000 . 1 . . . A 10 LEU HG . 25529 1
59 . 1 1 10 10 LEU HD11 H 1 0.8200 0.0000 . 1 . . . A 10 LEU HD11 . 25529 1
60 . 1 1 10 10 LEU HD12 H 1 0.8200 0.0000 . 1 . . . A 10 LEU HD12 . 25529 1
61 . 1 1 10 10 LEU HD13 H 1 0.8200 0.0000 . 1 . . . A 10 LEU HD13 . 25529 1
62 . 1 1 10 10 LEU HD21 H 1 0.8700 0.0000 . 1 . . . A 10 LEU HD21 . 25529 1
63 . 1 1 10 10 LEU HD22 H 1 0.8700 0.0000 . 1 . . . A 10 LEU HD22 . 25529 1
64 . 1 1 10 10 LEU HD23 H 1 0.8700 0.0000 . 1 . . . A 10 LEU HD23 . 25529 1
65 . 1 1 11 11 GLY H H 1 7.9900 0.0000 . 1 . . . A 11 GLY H . 25529 1
66 . 1 1 11 11 GLY HA2 H 1 3.9400 0.0000 . 1 . . . A 11 GLY HA2 . 25529 1
67 . 1 1 11 11 GLY HA3 H 1 3.7800 0.0000 . 1 . . . A 11 GLY HA3 . 25529 1
68 . 1 1 12 12 ALA H H 1 7.8600 0.0000 . 1 . . . A 12 ALA H . 25529 1
69 . 1 1 12 12 ALA HA H 1 4.3000 0.0000 . 1 . . . A 12 ALA HA . 25529 1
70 . 1 1 12 12 ALA HB1 H 1 1.5300 0.0000 . 1 . . . A 12 ALA HB1 . 25529 1
71 . 1 1 12 12 ALA HB2 H 1 1.5300 0.0000 . 1 . . . A 12 ALA HB2 . 25529 1
72 . 1 1 12 12 ALA HB3 H 1 1.5300 0.0000 . 1 . . . A 12 ALA HB3 . 25529 1
73 . 1 1 13 13 LEU H H 1 8.2800 0.0000 . 1 . . . A 13 LEU H . 25529 1
74 . 1 1 13 13 LEU HA H 1 4.0700 0.0000 . 1 . . . A 13 LEU HA . 25529 1
75 . 1 1 13 13 LEU HB2 H 1 1.8200 0.0000 . 1 . . . A 13 LEU HB2 . 25529 1
76 . 1 1 13 13 LEU HD11 H 1 0.9200 0.0000 . 1 . . . A 13 LEU HD11 . 25529 1
77 . 1 1 13 13 LEU HD12 H 1 0.9200 0.0000 . 1 . . . A 13 LEU HD12 . 25529 1
78 . 1 1 13 13 LEU HD13 H 1 0.9200 0.0000 . 1 . . . A 13 LEU HD13 . 25529 1
79 . 1 1 13 13 LEU HD21 H 1 0.9900 0.0000 . 1 . . . A 13 LEU HD21 . 25529 1
80 . 1 1 13 13 LEU HD22 H 1 0.9900 0.0000 . 1 . . . A 13 LEU HD22 . 25529 1
81 . 1 1 13 13 LEU HD23 H 1 0.9900 0.0000 . 1 . . . A 13 LEU HD23 . 25529 1
82 . 1 1 14 14 LYS H H 1 8.3400 0.0000 . 1 . . . A 14 LYS H . 25529 1
83 . 1 1 14 14 LYS HA H 1 3.8600 0.0000 . 1 . . . A 14 LYS HA . 25529 1
84 . 1 1 14 14 LYS HB2 H 1 1.8900 0.0000 . 1 . . . A 14 LYS HB2 . 25529 1
85 . 1 1 14 14 LYS HG2 H 1 1.3800 0.0000 . 1 . . . A 14 LYS HG2 . 25529 1
86 . 1 1 14 14 LYS HD2 H 1 1.6800 0.0000 . 1 . . . A 14 LYS HD2 . 25529 1
87 . 1 1 14 14 LYS HE2 H 1 2.9200 0.0000 . 1 . . . A 14 LYS HE2 . 25529 1
88 . 1 1 14 14 LYS HZ1 H 1 7.4900 0.0000 . 1 . . . A 14 LYS HZ1 . 25529 1
89 . 1 1 14 14 LYS HZ2 H 1 7.4900 0.0000 . 1 . . . A 14 LYS HZ2 . 25529 1
90 . 1 1 14 14 LYS HZ3 H 1 7.4900 0.0000 . 1 . . . A 14 LYS HZ3 . 25529 1
91 . 1 1 15 15 ASN H H 1 7.7200 0.0000 . 1 . . . A 15 ASN H . 25529 1
92 . 1 1 15 15 ASN HA H 1 4.4900 0.0000 . 1 . . . A 15 ASN HA . 25529 1
93 . 1 1 15 15 ASN HB2 H 1 2.9300 0.0000 . 1 . . . A 15 ASN HB2 . 25529 1
94 . 1 1 15 15 ASN HD21 H 1 7.6200 0.0000 . 1 . . . A 15 ASN HD21 . 25529 1
95 . 1 1 15 15 ASN HD22 H 1 6.8500 0.0000 . 1 . . . A 15 ASN HD22 . 25529 1
96 . 1 1 16 16 LEU H H 1 7.9700 0.0000 . 1 . . . A 16 LEU H . 25529 1
97 . 1 1 16 16 LEU HA H 1 4.1900 0.0000 . 1 . . . A 16 LEU HA . 25529 1
98 . 1 1 16 16 LEU HB2 H 1 1.6900 0.0000 . 1 . . . A 16 LEU HB2 . 25529 1
99 . 1 1 16 16 LEU HG H 1 1.6800 0.0000 . 1 . . . A 16 LEU HG . 25529 1
100 . 1 1 16 16 LEU HD11 H 1 0.7890 0.0000 . 1 . . . A 16 LEU HD11 . 25529 1
101 . 1 1 16 16 LEU HD12 H 1 0.7890 0.0000 . 1 . . . A 16 LEU HD12 . 25529 1
102 . 1 1 16 16 LEU HD13 H 1 0.7890 0.0000 . 1 . . . A 16 LEU HD13 . 25529 1
103 . 1 1 16 16 LEU HD21 H 1 0.9000 0.0000 . 1 . . . A 16 LEU HD21 . 25529 1
104 . 1 1 16 16 LEU HD22 H 1 0.9000 0.0000 . 1 . . . A 16 LEU HD22 . 25529 1
105 . 1 1 16 16 LEU HD23 H 1 0.9000 0.0000 . 1 . . . A 16 LEU HD23 . 25529 1
106 . 1 1 17 17 ILE H H 1 7.8400 0.0000 . 1 . . . A 17 ILE H . 25529 1
107 . 1 1 17 17 ILE HA H 1 3.9400 0.0000 . 1 . . . A 17 ILE HA . 25529 1
108 . 1 1 17 17 ILE HB H 1 1.9500 0.0000 . 1 . . . A 17 ILE HB . 25529 1
109 . 1 1 17 17 ILE HG12 H 1 0.9300 0.0000 . 1 . . . A 17 ILE HG12 . 25529 1
110 . 1 1 17 17 ILE HG21 H 1 1.4800 0.0000 . 1 . . . A 17 ILE HG21 . 25529 1
111 . 1 1 17 17 ILE HG22 H 1 1.4800 0.0000 . 1 . . . A 17 ILE HG22 . 25529 1
112 . 1 1 17 17 ILE HG23 H 1 1.4800 0.0000 . 1 . . . A 17 ILE HG23 . 25529 1
113 . 1 1 17 17 ILE HD11 H 1 0.8600 0.0000 . 1 . . . A 17 ILE HD11 . 25529 1
114 . 1 1 17 17 ILE HD12 H 1 0.8600 0.0000 . 1 . . . A 17 ILE HD12 . 25529 1
115 . 1 1 17 17 ILE HD13 H 1 0.8600 0.0000 . 1 . . . A 17 ILE HD13 . 25529 1
116 . 1 1 18 18 LYS H H 1 7.9700 0.0000 . 1 . . . A 18 LYS H . 25529 1
117 . 1 1 18 18 LYS HA H 1 4.2300 0.0000 . 1 . . . A 18 LYS HA . 25529 1
118 . 1 1 18 18 LYS HB2 H 1 1.8700 0.0000 . 1 . . . A 18 LYS HB2 . 25529 1
119 . 1 1 18 18 LYS HG2 H 1 1.4900 0.0000 . 1 . . . A 18 LYS HG2 . 25529 1
120 . 1 1 18 18 LYS HE2 H 1 3.0000 0.0000 . 1 . . . A 18 LYS HE2 . 25529 1
121 . 1 1 18 18 LYS HZ1 H 1 7.4400 0.0000 . 1 . . . A 18 LYS HZ1 . 25529 1
122 . 1 1 18 18 LYS HZ2 H 1 7.4400 0.0000 . 1 . . . A 18 LYS HZ2 . 25529 1
123 . 1 1 18 18 LYS HZ3 H 1 7.4400 0.0000 . 1 . . . A 18 LYS HZ3 . 25529 1
stop_
save_