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 20105
_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 DQF-COSY' . . . 20105 1
2 '2D 1H-1H TOCSY' . . . 20105 1
3 '2D 1H-1H NOESY' . . . 20105 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 GLY H H 1 8.673 0.005 . 1 . . . . 1 G H . 20105 1
2 . 1 1 1 1 GLY HA2 H 1 3.329 0.005 . 2 . . . . 1 G HA2 . 20105 1
3 . 1 1 1 1 GLY HA3 H 1 4.366 0.003 . 2 . . . . 1 G HA3 . 20105 1
4 . 1 1 2 2 LEU H H 1 9.004 0.002 . 1 . . . . 2 L H . 20105 1
5 . 1 1 2 2 LEU HA H 1 4.868 0.003 . 1 . . . . 2 L HA . 20105 1
6 . 1 1 2 2 LEU HB3 H 1 1.951 0.003 . 2 . . . . 2 L HB3 . 20105 1
7 . 1 1 2 2 LEU HD11 H 1 0.984 0.003 . 2 . . . . 2 L QD1 . 20105 1
8 . 1 1 2 2 LEU HD12 H 1 0.984 0.003 . 2 . . . . 2 L QD1 . 20105 1
9 . 1 1 2 2 LEU HD13 H 1 0.984 0.003 . 2 . . . . 2 L QD1 . 20105 1
10 . 1 1 2 2 LEU HD21 H 1 0.861 0.010 . 2 . . . . 2 L QD2 . 20105 1
11 . 1 1 2 2 LEU HD22 H 1 0.861 0.010 . 2 . . . . 2 L QD2 . 20105 1
12 . 1 1 2 2 LEU HD23 H 1 0.861 0.010 . 2 . . . . 2 L QD2 . 20105 1
13 . 1 1 2 2 LEU HG H 1 1.812 0.002 . 1 . . . . 2 L HG . 20105 1
14 . 1 1 3 3 PRO HA H 1 4.059 0.004 . 1 . . . . 3 P HA . 20105 1
15 . 1 1 3 3 PRO HB2 H 1 1.480 0.002 . 2 . . . . 3 P HB2 . 20105 1
16 . 1 1 3 3 PRO HB3 H 1 1.848 0.002 . 2 . . . . 3 P HB3 . 20105 1
17 . 1 1 3 3 PRO HD2 H 1 3.525 0.002 . 2 . . . . 3 P HD2 . 20105 1
18 . 1 1 3 3 PRO HD3 H 1 3.319 0.002 . 2 . . . . 3 P HD3 . 20105 1
19 . 1 1 3 3 PRO HG2 H 1 1.693 0.004 . 2 . . . . 3 P HG2 . 20105 1
20 . 1 1 3 3 PRO HG3 H 1 1.762 0.005 . 2 . . . . 3 P HG3 . 20105 1
21 . 1 1 4 4 TRP H H 1 6.163 0.002 . 1 . . . . 4 W H . 20105 1
22 . 1 1 4 4 TRP HA H 1 4.900 0.001 . 1 . . . . 4 W HA . 20105 1
23 . 1 1 4 4 TRP HB2 H 1 3.030 0.012 . 2 . . . . 4 W HB2 . 20105 1
24 . 1 1 4 4 TRP HB3 H 1 2.975 0.008 . 2 . . . . 4 W HB3 . 20105 1
25 . 1 1 4 4 TRP HD1 H 1 7.034 0.002 . 1 . . . . 4 W HD1 . 20105 1
26 . 1 1 4 4 TRP HE1 H 1 10.798 0.003 . 1 . . . . 4 W HE1 . 20105 1
27 . 1 1 4 4 TRP HE3 H 1 7.541 0.001 . 1 . . . . 4 W HE3 . 20105 1
28 . 1 1 4 4 TRP HZ2 H 1 7.319 0.000 . 1 . . . . 4 W HZ2 . 20105 1
29 . 1 1 5 5 GLY H H 1 8.655 0.001 . 1 . . . . 5 G H . 20105 1
30 . 1 1 5 5 GLY HA2 H 1 3.308 0.008 . 2 . . . . 5 G HA2 . 20105 1
31 . 1 1 5 5 GLY HA3 H 1 3.905 0.004 . 2 . . . . 5 G HA3 . 20105 1
32 . 1 1 6 6 CYS H H 1 7.212 0.002 . 1 . . . . 6 C H . 20105 1
33 . 1 1 6 6 CYS HA H 1 4.864 0.003 . 1 . . . . 6 C HA . 20105 1
34 . 1 1 6 6 CYS HB2 H 1 2.226 0.002 . 2 . . . . 6 C HB2 . 20105 1
35 . 1 1 6 6 CYS HB3 H 1 3.331 0.001 . 2 . . . . 6 C HB3 . 20105 1
36 . 1 1 7 7 PRO HA H 1 4.691 0.001 . 1 . . . . 7 P HA . 20105 1
37 . 1 1 7 7 PRO HB2 H 1 1.819 0.000 . 2 . . . . 7 P HB2 . 20105 1
38 . 1 1 7 7 PRO HB3 H 1 2.148 0.001 . 2 . . . . 7 P HB3 . 20105 1
39 . 1 1 7 7 PRO HG3 H 1 1.886 0.002 . 2 . . . . 7 P HG3 . 20105 1
40 . 1 1 8 8 SER H H 1 6.082 0.002 . 1 . . . . 8 S H . 20105 1
41 . 1 1 8 8 SER HA H 1 5.393 0.003 . 1 . . . . 8 S HA . 20105 1
42 . 1 1 8 8 SER HB2 H 1 3.850 0.002 . 2 . . . . 8 S HB2 . 20105 1
43 . 1 1 8 8 SER HB3 H 1 3.475 0.001 . 2 . . . . 8 S HB3 . 20105 1
44 . 1 1 9 9 ASP H H 1 7.700 0.001 . 1 . . . . 9 D H . 20105 1
45 . 1 1 9 9 ASP HA H 1 4.732 0.008 . 1 . . . . 9 D HA . 20105 1
46 . 1 1 9 9 ASP HB2 H 1 3.533 0.003 . 2 . . . . 9 D HB2 . 20105 1
47 . 1 1 9 9 ASP HB3 H 1 2.514 0.002 . 2 . . . . 9 D HB3 . 20105 1
48 . 1 1 10 10 ILE H H 1 8.221 0.002 . 1 . . . . 10 I H . 20105 1
49 . 1 1 10 10 ILE HA H 1 3.678 0.001 . 1 . . . . 10 I HA . 20105 1
50 . 1 1 10 10 ILE HB H 1 1.845 0.003 . 1 . . . . 10 I HB . 20105 1
51 . 1 1 10 10 ILE HD11 H 1 0.889 0.005 . 2 . . . . 10 I QD1 . 20105 1
52 . 1 1 10 10 ILE HD12 H 1 0.889 0.005 . 2 . . . . 10 I QD1 . 20105 1
53 . 1 1 10 10 ILE HD13 H 1 0.889 0.005 . 2 . . . . 10 I QD1 . 20105 1
54 . 1 1 10 10 ILE HG12 H 1 1.176 0.003 . 2 . . . . 10 I HG12 . 20105 1
55 . 1 1 10 10 ILE HG13 H 1 1.716 0.012 . 2 . . . . 10 I HG13 . 20105 1
56 . 1 1 10 10 ILE HG21 H 1 0.803 0.002 . 2 . . . . 10 I QG2 . 20105 1
57 . 1 1 10 10 ILE HG22 H 1 0.803 0.002 . 2 . . . . 10 I QG2 . 20105 1
58 . 1 1 10 10 ILE HG23 H 1 0.803 0.002 . 2 . . . . 10 I QG2 . 20105 1
59 . 1 1 11 11 PRO HA H 1 4.280 0.001 . 1 . . . . 11 P HA . 20105 1
60 . 1 1 11 11 PRO HB2 H 1 1.630 0.003 . 2 . . . . 11 P HB2 . 20105 1
61 . 1 1 11 11 PRO HB3 H 1 2.138 0.000 . 2 . . . . 11 P HB3 . 20105 1
62 . 1 1 11 11 PRO HD2 H 1 3.121 0.002 . 2 . . . . 11 P HD2 . 20105 1
63 . 1 1 11 11 PRO HD3 H 1 3.681 0.001 . 2 . . . . 11 P HD3 . 20105 1
64 . 1 1 12 12 GLY H H 1 7.504 0.003 . 1 . . . . 12 G H . 20105 1
65 . 1 1 12 12 GLY HA2 H 1 3.345 0.002 . 2 . . . . 12 G HA2 . 20105 1
66 . 1 1 12 12 GLY HA3 H 1 4.054 0.003 . 2 . . . . 12 G HA3 . 20105 1
67 . 1 1 13 13 TRP H H 1 7.816 0.003 . 1 . . . . 13 W H . 20105 1
68 . 1 1 13 13 TRP HA H 1 4.653 0.003 . 1 . . . . 13 W HA . 20105 1
69 . 1 1 13 13 TRP HB2 H 1 2.545 0.003 . 2 . . . . 13 W HB2 . 20105 1
70 . 1 1 13 13 TRP HB3 H 1 3.242 0.001 . 2 . . . . 13 W HB3 . 20105 1
71 . 1 1 13 13 TRP HD1 H 1 6.898 0.014 . 1 . . . . 13 W HD1 . 20105 1
72 . 1 1 13 13 TRP HE1 H 1 10.689 0.002 . 1 . . . . 13 W HE1 . 20105 1
73 . 1 1 13 13 TRP HE3 H 1 7.092 0.001 . 1 . . . . 13 W HE3 . 20105 1
74 . 1 1 13 13 TRP HZ2 H 1 7.255 0.001 . 1 . . . . 13 W HZ2 . 20105 1
75 . 1 1 14 14 ASN H H 1 8.593 0.002 . 1 . . . . 14 N H . 20105 1
76 . 1 1 14 14 ASN HA H 1 5.086 0.004 . 1 . . . . 14 N HA . 20105 1
77 . 1 1 14 14 ASN HB2 H 1 1.567 0.002 . 2 . . . . 14 N HB2 . 20105 1
78 . 1 1 14 14 ASN HB3 H 1 1.912 0.005 . 2 . . . . 14 N HB3 . 20105 1
79 . 1 1 15 15 THR H H 1 8.874 0.013 . 1 . . . . 15 T H . 20105 1
80 . 1 1 15 15 THR HA H 1 5.044 0.006 . 1 . . . . 15 T HA . 20105 1
81 . 1 1 15 15 THR HG21 H 1 1.128 0.025 . 2 . . . . 15 T QG2 . 20105 1
82 . 1 1 15 15 THR HG22 H 1 1.128 0.025 . 2 . . . . 15 T QG2 . 20105 1
83 . 1 1 15 15 THR HG23 H 1 1.128 0.025 . 2 . . . . 15 T QG2 . 20105 1
84 . 1 1 16 16 PRO HA H 1 4.417 0.002 . 1 . . . . 16 P HA . 20105 1
85 . 1 1 16 16 PRO HB2 H 1 1.436 0.001 . 2 . . . . 16 P HB2 . 20105 1
86 . 1 1 16 16 PRO HB3 H 1 2.114 0.002 . 2 . . . . 16 P HB3 . 20105 1
87 . 1 1 16 16 PRO HD2 H 1 3.885 0.002 . 2 . . . . 16 P HD2 . 20105 1
88 . 1 1 16 16 PRO HD3 H 1 3.621 0.015 . 2 . . . . 16 P HD3 . 20105 1
89 . 1 1 16 16 PRO HG2 H 1 1.568 0.002 . 2 . . . . 16 P HG2 . 20105 1
90 . 1 1 16 16 PRO HG3 H 1 1.694 0.003 . 2 . . . . 16 P HG3 . 20105 1
91 . 1 1 17 17 TRP H H 1 7.861 0.002 . 1 . . . . 17 W H . 20105 1
92 . 1 1 17 17 TRP HA H 1 4.217 0.004 . 1 . . . . 17 W HA . 20105 1
93 . 1 1 17 17 TRP HB2 H 1 2.964 0.004 . 2 . . . . 17 W HB2 . 20105 1
94 . 1 1 17 17 TRP HB3 H 1 3.371 0.002 . 2 . . . . 17 W HB3 . 20105 1
95 . 1 1 17 17 TRP HD1 H 1 7.208 0.004 . 1 . . . . 17 W HD1 . 20105 1
96 . 1 1 17 17 TRP HE1 H 1 10.897 0.003 . 1 . . . . 17 W HE1 . 20105 1
97 . 1 1 17 17 TRP HE3 H 1 7.568 0.007 . 1 . . . . 17 W HE3 . 20105 1
98 . 1 1 17 17 TRP HZ2 H 1 7.375 0.002 . 1 . . . . 17 W HZ2 . 20105 1
99 . 1 1 17 17 TRP HZ3 H 1 7.005 0.005 . 1 . . . . 17 W HZ3 . 20105 1
100 . 1 1 18 18 ALA H H 1 7.214 0.004 . 1 . . . . 18 A H . 20105 1
101 . 1 1 18 18 ALA HA H 1 4.316 0.003 . 1 . . . . 18 A HA . 20105 1
102 . 1 1 18 18 ALA HB1 H 1 1.262 0.002 . 2 . . . . 18 A QB . 20105 1
103 . 1 1 18 18 ALA HB2 H 1 1.262 0.002 . 2 . . . . 18 A QB . 20105 1
104 . 1 1 18 18 ALA HB3 H 1 1.262 0.002 . 2 . . . . 18 A QB . 20105 1
105 . 1 1 19 19 CYS H H 1 7.079 0.001 . 1 . . . . 19 C H . 20105 1
106 . 1 1 19 19 CYS HA H 1 4.490 0.002 . 1 . . . . 19 C HA . 20105 1
107 . 1 1 19 19 CYS HB2 H 1 2.796 0.002 . 2 . . . . 19 C HB2 . 20105 1
108 . 1 1 19 19 CYS HB3 H 1 3.120 0.003 . 2 . . . . 19 C HB3 . 20105 1
stop_
save_