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 19595
_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' . . . 19595 1
2 '2D 1H-1H NOESY' . . . 19595 1
3 '2D 1H-13C HSQC aliphatic' . . . 19595 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 CYS HA H 1 4.269 0.003 . 1 . . . A 1 CYS HA . 19595 1
2 . 1 1 1 1 CYS HB2 H 1 3.456 0.006 . 2 . . . A 1 CYS HB2 . 19595 1
3 . 1 1 1 1 CYS HB3 H 1 3.297 0.005 . 2 . . . A 1 CYS HB3 . 19595 1
4 . 1 1 1 1 CYS CA C 13 55.013 0.000 . 1 . . . A 1 CYS CA . 19595 1
5 . 1 1 1 1 CYS CB C 13 42.319 0.000 . 1 . . . A 1 CYS CB . 19595 1
6 . 1 1 2 2 TYR H H 1 8.991 0.002 . 1 . . . A 2 TYR H . 19595 1
7 . 1 1 2 2 TYR HA H 1 4.776 0.002 . 1 . . . A 2 TYR HA . 19595 1
8 . 1 1 2 2 TYR HB2 H 1 3.012 0.006 . 2 . . . A 2 TYR HB2 . 19595 1
9 . 1 1 2 2 TYR HB3 H 1 3.162 0.005 . 2 . . . A 2 TYR HB3 . 19595 1
10 . 1 1 2 2 TYR HD1 H 1 7.209 0.002 . 3 . . . A 2 TYR HD1 . 19595 1
11 . 1 1 2 2 TYR HD2 H 1 7.209 0.002 . 3 . . . A 2 TYR HD2 . 19595 1
12 . 1 1 2 2 TYR HE1 H 1 6.872 0.001 . 3 . . . A 2 TYR HE1 . 19595 1
13 . 1 1 2 2 TYR HE2 H 1 6.872 0.001 . 3 . . . A 2 TYR HE2 . 19595 1
14 . 1 1 2 2 TYR CB C 13 38.843 0.005 . 1 . . . A 2 TYR CB . 19595 1
15 . 1 1 3 3 ILE H H 1 7.960 0.001 . 1 . . . A 3 ILE H . 19595 1
16 . 1 1 3 3 ILE HA H 1 4.041 0.006 . 1 . . . A 3 ILE HA . 19595 1
17 . 1 1 3 3 ILE HB H 1 1.918 0.004 . 1 . . . A 3 ILE HB . 19595 1
18 . 1 1 3 3 ILE HG12 H 1 1.105 0.109 . 2 . . . A 3 ILE HG12 . 19595 1
19 . 1 1 3 3 ILE HG13 H 1 1.145 0.100 . 2 . . . A 3 ILE HG13 . 19595 1
20 . 1 1 3 3 ILE HG21 H 1 0.872 0.004 . 1 . . . A 3 ILE HG21 . 19595 1
21 . 1 1 3 3 ILE HG22 H 1 0.872 0.004 . 1 . . . A 3 ILE HG22 . 19595 1
22 . 1 1 3 3 ILE HG23 H 1 0.872 0.004 . 1 . . . A 3 ILE HG23 . 19595 1
23 . 1 1 3 3 ILE HD11 H 1 0.851 0.004 . 1 . . . A 3 ILE HD11 . 19595 1
24 . 1 1 3 3 ILE HD12 H 1 0.851 0.004 . 1 . . . A 3 ILE HD12 . 19595 1
25 . 1 1 3 3 ILE HD13 H 1 0.851 0.004 . 1 . . . A 3 ILE HD13 . 19595 1
26 . 1 1 3 3 ILE CA C 13 62.672 0.000 . 1 . . . A 3 ILE CA . 19595 1
27 . 1 1 3 3 ILE CB C 13 38.706 0.000 . 1 . . . A 3 ILE CB . 19595 1
28 . 1 1 3 3 ILE CG1 C 13 27.261 0.019 . 1 . . . A 3 ILE CG1 . 19595 1
29 . 1 1 3 3 ILE CG2 C 13 17.596 0.000 . 1 . . . A 3 ILE CG2 . 19595 1
30 . 1 1 3 3 ILE CD1 C 13 13.315 0.000 . 1 . . . A 3 ILE CD1 . 19595 1
31 . 1 1 4 4 GLN H H 1 8.229 0.001 . 1 . . . A 4 GLN H . 19595 1
32 . 1 1 4 4 GLN HA H 1 4.110 0.002 . 1 . . . A 4 GLN HA . 19595 1
33 . 1 1 4 4 GLN HB2 H 1 2.070 0.008 . 2 . . . A 4 GLN HB2 . 19595 1
34 . 1 1 4 4 GLN HB3 H 1 2.070 0.008 . 2 . . . A 4 GLN HB3 . 19595 1
35 . 1 1 4 4 GLN HG2 H 1 2.403 0.005 . 2 . . . A 4 GLN HG2 . 19595 1
36 . 1 1 4 4 GLN HG3 H 1 2.403 0.005 . 2 . . . A 4 GLN HG3 . 19595 1
37 . 1 1 4 4 GLN HE21 H 1 6.864 0.002 . 2 . . . A 4 GLN HE21 . 19595 1
38 . 1 1 4 4 GLN HE22 H 1 7.556 0.001 . 2 . . . A 4 GLN HE22 . 19595 1
39 . 1 1 4 4 GLN CA C 13 57.854 0.000 . 1 . . . A 4 GLN CA . 19595 1
40 . 1 1 4 4 GLN CB C 13 28.542 0.019 . 1 . . . A 4 GLN CB . 19595 1
41 . 1 1 4 4 GLN CG C 13 33.785 0.015 . 1 . . . A 4 GLN CG . 19595 1
42 . 1 1 5 5 ASN H H 1 8.339 0.005 . 1 . . . A 5 ASN H . 19595 1
43 . 1 1 5 5 ASN HA H 1 4.728 0.003 . 1 . . . A 5 ASN HA . 19595 1
44 . 1 1 5 5 ASN HB2 H 1 2.852 0.004 . 2 . . . A 5 ASN HB2 . 19595 1
45 . 1 1 5 5 ASN HB3 H 1 2.852 0.004 . 2 . . . A 5 ASN HB3 . 19595 1
46 . 1 1 5 5 ASN HD21 H 1 6.929 0.002 . 2 . . . A 5 ASN HD21 . 19595 1
47 . 1 1 5 5 ASN HD22 H 1 7.608 0.001 . 2 . . . A 5 ASN HD22 . 19595 1
48 . 1 1 5 5 ASN CA C 13 53.112 0.021 . 1 . . . A 5 ASN CA . 19595 1
49 . 1 1 5 5 ASN CB C 13 38.460 0.000 . 1 . . . A 5 ASN CB . 19595 1
50 . 1 1 6 6 CYS H H 1 8.218 0.002 . 1 . . . A 6 CYS H . 19595 1
51 . 1 1 6 6 CYS HA H 1 4.870 0.004 . 1 . . . A 6 CYS HA . 19595 1
52 . 1 1 6 6 CYS HB2 H 1 2.972 0.004 . 2 . . . A 6 CYS HB2 . 19595 1
53 . 1 1 6 6 CYS HB3 H 1 3.220 0.009 . 2 . . . A 6 CYS HB3 . 19595 1
54 . 1 1 6 6 CYS CA C 13 54.068 0.000 . 1 . . . A 6 CYS CA . 19595 1
55 . 1 1 6 6 CYS CB C 13 40.983 0.008 . 1 . . . A 6 CYS CB . 19595 1
56 . 1 1 7 7 PRO HA H 1 4.443 0.002 . 1 . . . A 7 PRO HA . 19595 1
57 . 1 1 7 7 PRO HB2 H 1 2.292 0.005 . 2 . . . A 7 PRO HB2 . 19595 1
58 . 1 1 7 7 PRO HB3 H 1 1.935 0.005 . 2 . . . A 7 PRO HB3 . 19595 1
59 . 1 1 7 7 PRO HG2 H 1 2.030 0.004 . 2 . . . A 7 PRO HG2 . 19595 1
60 . 1 1 7 7 PRO HG3 H 1 2.030 0.004 . 2 . . . A 7 PRO HG3 . 19595 1
61 . 1 1 7 7 PRO HD2 H 1 3.716 0.012 . 2 . . . A 7 PRO HD2 . 19595 1
62 . 1 1 7 7 PRO HD3 H 1 3.738 0.013 . 2 . . . A 7 PRO HD3 . 19595 1
63 . 1 1 7 7 PRO CA C 13 63.324 0.000 . 1 . . . A 7 PRO CA . 19595 1
64 . 1 1 7 7 PRO CB C 13 32.010 0.005 . 1 . . . A 7 PRO CB . 19595 1
65 . 1 1 7 7 PRO CG C 13 27.370 0.011 . 1 . . . A 7 PRO CG . 19595 1
66 . 1 1 7 7 PRO CD C 13 50.654 0.020 . 1 . . . A 7 PRO CD . 19595 1
67 . 1 1 8 8 LEU H H 1 8.488 0.002 . 1 . . . A 8 LEU H . 19595 1
68 . 1 1 8 8 LEU HA H 1 4.303 0.003 . 1 . . . A 8 LEU HA . 19595 1
69 . 1 1 8 8 LEU HB2 H 1 1.622 0.017 . 2 . . . A 8 LEU HB2 . 19595 1
70 . 1 1 8 8 LEU HB3 H 1 1.673 0.007 . 2 . . . A 8 LEU HB3 . 19595 1
71 . 1 1 8 8 LEU HD11 H 1 0.937 0.010 . 2 . . . A 8 LEU HD11 . 19595 1
72 . 1 1 8 8 LEU HD12 H 1 0.937 0.010 . 2 . . . A 8 LEU HD12 . 19595 1
73 . 1 1 8 8 LEU HD13 H 1 0.937 0.010 . 2 . . . A 8 LEU HD13 . 19595 1
74 . 1 1 8 8 LEU HD21 H 1 0.896 0.010 . 2 . . . A 8 LEU HD21 . 19595 1
75 . 1 1 8 8 LEU HD22 H 1 0.896 0.010 . 2 . . . A 8 LEU HD22 . 19595 1
76 . 1 1 8 8 LEU HD23 H 1 0.896 0.010 . 2 . . . A 8 LEU HD23 . 19595 1
77 . 1 1 8 8 LEU CA C 13 55.409 0.000 . 1 . . . A 8 LEU CA . 19595 1
78 . 1 1 8 8 LEU CB C 13 42.037 0.007 . 1 . . . A 8 LEU CB . 19595 1
79 . 1 1 8 8 LEU CD1 C 13 24.851 0.000 . 2 . . . A 8 LEU CD1 . 19595 1
80 . 1 1 8 8 LEU CD2 C 13 23.417 0.000 . 2 . . . A 8 LEU CD2 . 19595 1
81 . 1 1 9 9 GLY H H 1 8.394 0.003 . 1 . . . A 9 GLY H . 19595 1
82 . 1 1 9 9 GLY HA2 H 1 3.910 0.007 . 2 . . . A 9 GLY HA2 . 19595 1
83 . 1 1 9 9 GLY HA3 H 1 3.910 0.007 . 2 . . . A 9 GLY HA3 . 19595 1
84 . 1 1 9 9 GLY CA C 13 44.856 0.000 . 1 . . . A 9 GLY CA . 19595 1
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