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 19103
_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 $ar1248_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' . . . 19103 1
2 '2D 1H-1H TOCSY' . . . 19103 1
3 '2D 1H-1H NOESY' . . . 19103 1
4 '2D 1H-13C HSQC' . . . 19103 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 HA2 H 1 3.72 0.003 . 1 . . . A 1 GLY HA2 . 19103 1
2 . 1 1 1 1 GLY HA3 H 1 3.72 0.003 . 1 . . . A 1 GLY HA3 . 19103 1
3 . 1 1 1 1 GLY CA C 13 41.34 0.05 . 1 . . . A 1 GLY CA . 19103 1
4 . 1 1 2 2 VAL H H 1 8.43 0.05 . 1 . . . A 2 VAL H . 19103 1
5 . 1 1 2 2 VAL HA H 1 4.52 0.003 . 1 . . . A 2 VAL HA . 19103 1
6 . 1 1 2 2 VAL HB H 1 1.80 0.05 . 1 . . . A 2 VAL HB . 19103 1
7 . 1 1 2 2 VAL HG11 H 1 0.87 0.003 . 2 . . . A 2 VAL HG11 . 19103 1
8 . 1 1 2 2 VAL HG12 H 1 0.87 0.003 . 2 . . . A 2 VAL HG12 . 19103 1
9 . 1 1 2 2 VAL HG13 H 1 0.87 0.003 . 2 . . . A 2 VAL HG13 . 19103 1
10 . 1 1 2 2 VAL HG21 H 1 0.81 0.003 . 2 . . . A 2 VAL HG21 . 19103 1
11 . 1 1 2 2 VAL HG22 H 1 0.81 0.003 . 2 . . . A 2 VAL HG22 . 19103 1
12 . 1 1 2 2 VAL HG23 H 1 0.81 0.003 . 2 . . . A 2 VAL HG23 . 19103 1
13 . 1 1 2 2 VAL CA C 13 60.40 0.05 . 1 . . . A 2 VAL CA . 19103 1
14 . 1 1 2 2 VAL CB C 13 32.94 0.05 . 1 . . . A 2 VAL CB . 19103 1
15 . 1 1 2 2 VAL CG1 C 13 19.08 0.05 . 1 . . . A 2 VAL CG1 . 19103 1
16 . 1 1 2 2 VAL CG2 C 13 19.78 0.05 . 1 . . . A 2 VAL CG2 . 19103 1
17 . 1 1 3 3 CYS H H 1 8.63 0.003 . 1 . . . A 3 CYS H . 19103 1
18 . 1 1 3 3 CYS HA H 1 4.88 0.003 . 1 . . . A 3 CYS HA . 19103 1
19 . 1 1 3 3 CYS HB2 H 1 2.46 0.003 . 2 . . . A 3 CYS HB2 . 19103 1
20 . 1 1 3 3 CYS HB3 H 1 2.24 0.003 . 2 . . . A 3 CYS HB3 . 19103 1
21 . 1 1 3 3 CYS CA C 13 56.97 0.00 . 1 . . . A 3 CYS CA . 19103 1
22 . 1 1 3 3 CYS CB C 13 36.70 0.05 . 1 . . . A 3 CYS CB . 19103 1
23 . 1 1 4 4 CYS H H 1 8.79 0.003 . 1 . . . A 4 CYS H . 19103 1
24 . 1 1 4 4 CYS HA H 1 5.14 0.003 . 1 . . . A 4 CYS HA . 19103 1
25 . 1 1 4 4 CYS HB2 H 1 3.08 0.003 . 2 . . . A 4 CYS HB2 . 19103 1
26 . 1 1 4 4 CYS HB3 H 1 2.73 0.003 . 2 . . . A 4 CYS HB3 . 19103 1
27 . 1 1 4 4 CYS CA C 13 54.80 0.05 . 1 . . . A 4 CYS CA . 19103 1
28 . 1 1 4 4 CYS CB C 13 45.97 0.05 . 1 . . . A 4 CYS CB . 19103 1
29 . 1 1 5 5 GLY H H 1 8.79 0.003 . 1 . . . A 5 GLY H . 19103 1
30 . 1 1 5 5 GLY HA2 H 1 4.48 0.003 . 2 . . . A 5 GLY HA2 . 19103 1
31 . 1 1 5 5 GLY HA3 H 1 3.61 0.003 . 2 . . . A 5 GLY HA3 . 19103 1
32 . 1 1 5 5 GLY CA C 13 41.83 0.05 . 1 . . . A 5 GLY CA . 19103 1
33 . 1 1 6 6 VAL H H 1 8.25 0.003 . 1 . . . A 6 VAL H . 19103 1
34 . 1 1 6 6 VAL HA H 1 3.82 0.003 . 1 . . . A 6 VAL HA . 19103 1
35 . 1 1 6 6 VAL HB H 1 2.09 0.003 . 1 . . . A 6 VAL HB . 19103 1
36 . 1 1 6 6 VAL HG11 H 1 1.04 0.003 . 2 . . . A 6 VAL HG11 . 19103 1
37 . 1 1 6 6 VAL HG12 H 1 1.04 0.003 . 2 . . . A 6 VAL HG12 . 19103 1
38 . 1 1 6 6 VAL HG13 H 1 1.04 0.003 . 2 . . . A 6 VAL HG13 . 19103 1
39 . 1 1 6 6 VAL HG21 H 1 1.02 0.003 . 2 . . . A 6 VAL HG21 . 19103 1
40 . 1 1 6 6 VAL HG22 H 1 1.02 0.003 . 2 . . . A 6 VAL HG22 . 19103 1
41 . 1 1 6 6 VAL HG23 H 1 1.02 0.003 . 2 . . . A 6 VAL HG23 . 19103 1
42 . 1 1 6 6 VAL CA C 13 63.22 0.05 . 1 . . . A 6 VAL CA . 19103 1
43 . 1 1 6 6 VAL CB C 13 30.20 0.05 . 1 . . . A 6 VAL CB . 19103 1
44 . 1 1 6 6 VAL CG1 C 13 18.78 0.05 . 2 . . . A 6 VAL CG1 . 19103 1
45 . 1 1 6 6 VAL CG2 C 13 19.15 0.05 . 2 . . . A 6 VAL CG2 . 19103 1
46 . 1 1 7 7 SER H H 1 7.79 0.003 . 1 . . . A 7 SER H . 19103 1
47 . 1 1 7 7 SER HA H 1 4.48 0.003 . 1 . . . A 7 SER HA . 19103 1
48 . 1 1 7 7 SER HB2 H 1 3.84 0.003 . 2 . . . A 7 SER HB2 . 19103 1
49 . 1 1 7 7 SER HB3 H 1 3.75 0.003 . 2 . . . A 7 SER HB3 . 19103 1
50 . 1 1 7 7 SER CA C 13 57.60 0.05 . 1 . . . A 7 SER CA . 19103 1
51 . 1 1 7 7 SER CB C 13 63.21 0.05 . 1 . . . A 7 SER CB . 19103 1
52 . 1 1 8 8 PHE H H 1 7.19 0.003 . 1 . . . A 8 PHE H . 19103 1
53 . 1 1 8 8 PHE HA H 1 4.85 0.003 . 1 . . . A 8 PHE HA . 19103 1
54 . 1 1 8 8 PHE HB2 H 1 3.42 0.003 . 2 . . . A 8 PHE HB2 . 19103 1
55 . 1 1 8 8 PHE HB3 H 1 3.16 0.003 . 2 . . . A 8 PHE HB3 . 19103 1
56 . 1 1 8 8 PHE HD1 H 1 7.25 0.003 . 1 . . . A 8 PHE HD1 . 19103 1
57 . 1 1 8 8 PHE HD2 H 1 7.25 0.003 . 1 . . . A 8 PHE HD2 . 19103 1
58 . 1 1 8 8 PHE HE1 H 1 7.28 0.003 . 1 . . . A 8 PHE HE1 . 19103 1
59 . 1 1 8 8 PHE HE2 H 1 7.28 0.003 . 1 . . . A 8 PHE HE2 . 19103 1
60 . 1 1 8 8 PHE HZ H 1 7.18 0.003 . 1 . . . A 8 PHE HZ . 19103 1
61 . 1 1 8 8 PHE CB C 13 38.80 0.05 . 1 . . . A 8 PHE CB . 19103 1
62 . 1 1 8 8 PHE CD1 C 13 130.1 0.05 . 1 . . . A 8 PHE CD1 . 19103 1
63 . 1 1 8 8 PHE CD2 C 13 130.1 0.05 . 1 . . . A 8 PHE CD2 . 19103 1
64 . 1 1 8 8 PHE CE1 C 13 130.1 0.05 . 1 . . . A 8 PHE CE1 . 19103 1
65 . 1 1 8 8 PHE CE2 C 13 130.1 0.05 . 1 . . . A 8 PHE CE2 . 19103 1
66 . 1 1 8 8 PHE CZ C 13 128.9 0.05 . 1 . . . A 8 PHE CZ . 19103 1
67 . 1 1 9 9 CYS H H 1 8.80 0.003 . 1 . . . A 9 CYS H . 19103 1
68 . 1 1 9 9 CYS HA H 1 5.70 0.003 . 1 . . . A 9 CYS HA . 19103 1
69 . 1 1 9 9 CYS HB2 H 1 2.89 0.003 . 2 . . . A 9 CYS HB2 . 19103 1
70 . 1 1 9 9 CYS HB3 H 1 2.81 0.003 . 2 . . . A 9 CYS HB3 . 19103 1
71 . 1 1 9 9 CYS CA C 13 54.84 0.05 . 1 . . . A 9 CYS CA . 19103 1
72 . 1 1 9 9 CYS CB C 13 46.33 0.05 . 1 . . . A 9 CYS CB . 19103 1
73 . 1 1 10 10 TYR H H 1 9.23 0.003 . 1 . . . A 10 TYR H . 19103 1
74 . 1 1 10 10 TYR HA H 1 5.21 0.003 . 1 . . . A 10 TYR HA . 19103 1
75 . 1 1 10 10 TYR HB2 H 1 3.10 0.003 . 2 . . . A 10 TYR HB2 . 19103 1
76 . 1 1 10 10 TYR HB3 H 1 3.05 0.003 . 2 . . . A 10 TYR HB3 . 19103 1
77 . 1 1 10 10 TYR HD1 H 1 7.03 0.003 . 1 . . . A 10 TYR HD1 . 19103 1
78 . 1 1 10 10 TYR HD2 H 1 7.03 0.003 . 1 . . . A 10 TYR HD2 . 19103 1
79 . 1 1 10 10 TYR HE1 H 1 6.52 0.003 . 1 . . . A 10 TYR HE1 . 19103 1
80 . 1 1 10 10 TYR HE2 H 1 6.52 0.003 . 1 . . . A 10 TYR HE2 . 19103 1
81 . 1 1 10 10 TYR CA C 13 53.27 0.05 . 1 . . . A 10 TYR CA . 19103 1
82 . 1 1 10 10 TYR CB C 13 36.42 0.05 . 1 . . . A 10 TYR CB . 19103 1
83 . 1 1 10 10 TYR CD1 C 13 133.3 0.05 . 1 . . . A 10 TYR CD1 . 19103 1
84 . 1 1 10 10 TYR CD2 C 13 133.3 0.05 . 1 . . . A 10 TYR CD2 . 19103 1
85 . 1 1 10 10 TYR CE1 C 13 115.2 0.05 . 1 . . . A 10 TYR CE1 . 19103 1
86 . 1 1 10 10 TYR CE2 C 13 115.2 0.05 . 1 . . . A 10 TYR CE2 . 19103 1
87 . 1 1 11 11 HYP CA C 13 59.74 0.05 . 1 . . . A 11 HYP CA . 19103 1
88 . 1 1 11 11 HYP CB C 13 38.71 0.05 . 1 . . . A 11 HYP CB . 19103 1
89 . 1 1 11 11 HYP CD C 13 56.95 0.05 . 1 . . . A 11 HYP CD . 19103 1
90 . 1 1 11 11 HYP CG C 13 71.10 0.05 . 1 . . . A 11 HYP CG . 19103 1
91 . 1 1 11 11 HYP HA H 1 5.18 0.003 . 1 . . . A 11 HYP HA . 19103 1
92 . 1 1 11 11 HYP HB2 H 1 2.32 0.003 . 2 . . . A 11 HYP HB2 . 19103 1
93 . 1 1 11 11 HYP HB3 H 1 2.11 0.003 . 2 . . . A 11 HYP HB3 . 19103 1
94 . 1 1 11 11 HYP HD22 H 1 3.95 0.003 . 2 . . . A 11 HYP HD22 . 19103 1
95 . 1 1 11 11 HYP HD23 H 1 3.86 0.003 . 2 . . . A 11 HYP HD23 . 19103 1
96 . 1 1 11 11 HYP HG H 1 4.60 0.003 . 1 . . . A 11 HYP HG . 19103 1
97 . 1 1 12 12 CYS H H 1 8.25 0.003 . 1 . . . A 12 CYS H . 19103 1
98 . 1 1 12 12 CYS HA H 1 4.66 0.003 . 1 . . . A 12 CYS HA . 19103 1
99 . 1 1 12 12 CYS HB2 H 1 3.36 0.003 . 2 . . . A 12 CYS HB2 . 19103 1
100 . 1 1 12 12 CYS HB3 H 1 3.31 0.003 . 2 . . . A 12 CYS HB3 . 19103 1
101 . 1 1 12 12 CYS CA C 13 54.75 0.05 . 1 . . . A 12 CYS CA . 19103 1
102 . 1 1 12 12 CYS CB C 13 42.68 0.05 . 1 . . . A 12 CYS CB . 19103 1
stop_
save_