Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30978
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 $chem_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' . . . 30978 1
2 '2D 1H-1H NOESY' . . . 30978 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 2 2 GLY H H 1 8.701 0.005 . . . . . . A 2 GLY H . 30978 1
2 . 1 . 1 2 2 GLY HA2 H 1 4.075 0.001 . . . . . . A 2 GLY HA2 . 30978 1
3 . 1 . 1 2 2 GLY HA3 H 1 4.231 0.003 . . . . . . A 2 GLY HA3 . 30978 1
4 . 1 . 1 3 3 THR H H 1 8.150 0.000 . . . . . . A 3 THR H . 30978 1
5 . 1 . 1 3 3 THR HA H 1 4.508 0.000 . . . . . . A 3 THR HA . 30978 1
6 . 1 . 1 3 3 THR HB H 1 4.414 0.000 . . . . . . A 3 THR HB . 30978 1
7 . 1 . 1 3 3 THR HG21 H 1 1.289 0.000 . . . . . . A 3 THR HG21 . 30978 1
8 . 1 . 1 3 3 THR HG22 H 1 1.289 0.000 . . . . . . A 3 THR HG22 . 30978 1
9 . 1 . 1 3 3 THR HG23 H 1 1.289 0.000 . . . . . . A 3 THR HG23 . 30978 1
10 . 1 . 1 4 4 SER H H 1 8.326 0.000 . . . . . . A 4 SER H . 30978 1
11 . 1 . 1 4 4 SER HA H 1 4.600 0.000 . . . . . . A 4 SER HA . 30978 1
12 . 1 . 1 4 4 SER HB2 H 1 3.967 0.000 . . . . . . A 4 SER HB2 . 30978 1
13 . 1 . 1 4 4 SER HB3 H 1 4.038 0.000 . . . . . . A 4 SER HB3 . 30978 1
14 . 1 . 1 5 5 SER H H 1 8.406 0.003 . . . . . . A 5 SER H . 30978 1
15 . 1 . 1 5 5 SER HA H 1 4.572 0.001 . . . . . . A 5 SER HA . 30978 1
16 . 1 . 1 5 5 SER HB2 H 1 3.967 0.000 . . . . . . A 5 SER HB2 . 30978 1
17 . 1 . 1 5 5 SER HB3 H 1 4.033 0.000 . . . . . . A 5 SER HB3 . 30978 1
18 . 1 . 1 6 6 THR H H 1 8.092 0.000 . . . . . . A 6 THR H . 30978 1
19 . 1 . 1 6 6 THR HA H 1 4.368 0.000 . . . . . . A 6 THR HA . 30978 1
20 . 1 . 1 6 6 THR HB H 1 4.277 0.000 . . . . . . A 6 THR HB . 30978 1
21 . 1 . 1 6 6 THR HG21 H 1 1.291 0.000 . . . . . . A 6 THR HG21 . 30978 1
22 . 1 . 1 6 6 THR HG22 H 1 1.291 0.000 . . . . . . A 6 THR HG22 . 30978 1
23 . 1 . 1 6 6 THR HG23 H 1 1.291 0.000 . . . . . . A 6 THR HG23 . 30978 1
24 . 1 . 1 7 7 ASP H H 1 8.322 0.000 . . . . . . A 7 ASP H . 30978 1
25 . 1 . 1 7 7 ASP HA H 1 4.787 0.000 . . . . . . A 7 ASP HA . 30978 1
26 . 1 . 1 7 7 ASP HB2 H 1 2.981 0.000 . . . . . . A 7 ASP HB2 . 30978 1
27 . 1 . 1 7 7 ASP HB3 H 1 2.981 0.000 . . . . . . A 7 ASP HB3 . 30978 1
28 . 1 . 1 8 8 SER H H 1 8.195 0.000 . . . . . . A 8 SER H . 30978 1
29 . 1 . 1 8 8 SER HA H 1 4.403 0.001 . . . . . . A 8 SER HA . 30978 1
30 . 1 . 1 8 8 SER HB2 H 1 3.969 0.004 . . . . . . A 8 SER HB2 . 30978 1
31 . 1 . 1 8 8 SER HB3 H 1 4.053 0.000 . . . . . . A 8 SER HB3 . 30978 1
32 . 1 . 1 9 9 GLN H H 1 8.294 0.000 . . . . . . A 9 GLN H . 30978 1
33 . 1 . 1 9 9 GLN HA H 1 4.339 0.003 . . . . . . A 9 GLN HA . 30978 1
34 . 1 . 1 9 9 GLN HB2 H 1 2.145 0.000 . . . . . . A 9 GLN HB2 . 30978 1
35 . 1 . 1 9 9 GLN HB3 H 1 2.237 0.001 . . . . . . A 9 GLN HB3 . 30978 1
36 . 1 . 1 9 9 GLN HG2 H 1 2.472 0.000 . . . . . . A 9 GLN HG2 . 30978 1
37 . 1 . 1 9 9 GLN HG3 H 1 2.472 0.000 . . . . . . A 9 GLN HG3 . 30978 1
38 . 1 . 1 9 9 GLN HE21 H 1 6.687 0.004 . . . . . . A 9 GLN HE21 . 30978 1
39 . 1 . 1 9 9 GLN HE22 H 1 7.392 0.001 . . . . . . A 9 GLN HE22 . 30978 1
40 . 1 . 1 10 10 GLN H H 1 8.188 0.000 . . . . . . A 10 GLN H . 30978 1
41 . 1 . 1 10 10 GLN HA H 1 4.293 0.001 . . . . . . A 10 GLN HA . 30978 1
42 . 1 . 1 10 10 GLN HB2 H 1 2.097 0.000 . . . . . . A 10 GLN HB2 . 30978 1
43 . 1 . 1 10 10 GLN HB3 H 1 2.203 0.000 . . . . . . A 10 GLN HB3 . 30978 1
44 . 1 . 1 10 10 GLN HG2 H 1 2.458 0.000 . . . . . . A 10 GLN HG2 . 30978 1
45 . 1 . 1 10 10 GLN HG3 H 1 2.458 0.000 . . . . . . A 10 GLN HG3 . 30978 1
46 . 1 . 1 10 10 GLN HE21 H 1 6.693 0.004 . . . . . . A 10 GLN HE21 . 30978 1
47 . 1 . 1 10 10 GLN HE22 H 1 7.363 0.007 . . . . . . A 10 GLN HE22 . 30978 1
48 . 1 . 1 11 11 ALA H H 1 8.124 0.000 . . . . . . A 11 ALA H . 30978 1
49 . 1 . 1 11 11 ALA HA H 1 4.261 0.000 . . . . . . A 11 ALA HA . 30978 1
50 . 1 . 1 11 11 ALA HB1 H 1 1.481 0.003 . . . . . . A 11 ALA HB1 . 30978 1
51 . 1 . 1 11 11 ALA HB2 H 1 1.481 0.003 . . . . . . A 11 ALA HB2 . 30978 1
52 . 1 . 1 11 11 ALA HB3 H 1 1.481 0.003 . . . . . . A 11 ALA HB3 . 30978 1
53 . 1 . 1 12 12 GLY H H 1 8.214 0.005 . . . . . . A 12 GLY H . 30978 1
54 . 1 . 1 12 12 GLY HA2 H 1 3.944 0.004 . . . . . . A 12 GLY HA2 . 30978 1
55 . 1 . 1 12 12 GLY HA3 H 1 3.944 0.004 . . . . . . A 12 GLY HA3 . 30978 1
56 . 1 . 1 13 13 HIS H H 1 8.130 0.000 . . . . . . A 13 HIS H . 30978 1
57 . 1 . 1 13 13 HIS HA H 1 4.726 0.000 . . . . . . A 13 HIS HA . 30978 1
58 . 1 . 1 13 13 HIS HB2 H 1 3.395 0.007 . . . . . . A 13 HIS HB2 . 30978 1
59 . 1 . 1 13 13 HIS HB3 H 1 3.254 0.000 . . . . . . A 13 HIS HB3 . 30978 1
60 . 1 . 1 13 13 HIS HD2 H 1 7.340 0.002 . . . . . . A 13 HIS HD2 . 30978 1
61 . 1 . 1 13 13 HIS HE1 H 1 8.605 0.000 . . . . . . A 13 HIS HE1 . 30978 1
62 . 1 . 1 14 14 ARG H H 1 8.197 0.000 . . . . . . A 14 ARG H . 30978 1
63 . 1 . 1 14 14 ARG HA H 1 4.401 0.001 . . . . . . A 14 ARG HA . 30978 1
64 . 1 . 1 14 14 ARG HB2 H 1 1.882 0.000 . . . . . . A 14 ARG HB2 . 30978 1
65 . 1 . 1 14 14 ARG HB3 H 1 1.965 0.000 . . . . . . A 14 ARG HB3 . 30978 1
66 . 1 . 1 14 14 ARG HG2 H 1 1.745 0.000 . . . . . . A 14 ARG HG2 . 30978 1
67 . 1 . 1 14 14 ARG HG3 H 1 1.745 0.000 . . . . . . A 14 ARG HG3 . 30978 1
68 . 1 . 1 14 14 ARG HD2 H 1 3.263 0.000 . . . . . . A 14 ARG HD2 . 30978 1
69 . 1 . 1 14 14 ARG HD3 H 1 3.263 0.000 . . . . . . A 14 ARG HD3 . 30978 1
70 . 1 . 1 15 15 ARG H H 1 8.312 0.000 . . . . . . A 15 ARG H . 30978 1
71 . 1 . 1 15 15 ARG HA H 1 4.425 0.000 . . . . . . A 15 ARG HA . 30978 1
72 . 1 . 1 15 15 ARG HB2 H 1 1.891 0.000 . . . . . . A 15 ARG HB2 . 30978 1
73 . 1 . 1 15 15 ARG HB3 H 1 1.966 0.000 . . . . . . A 15 ARG HB3 . 30978 1
74 . 1 . 1 15 15 ARG HG2 H 1 1.744 0.000 . . . . . . A 15 ARG HG2 . 30978 1
75 . 1 . 1 15 15 ARG HG3 H 1 1.744 0.000 . . . . . . A 15 ARG HG3 . 30978 1
76 . 1 . 1 15 15 ARG HD2 H 1 3.260 0.000 . . . . . . A 15 ARG HD2 . 30978 1
77 . 1 . 1 15 15 ARG HD3 H 1 3.260 0.000 . . . . . . A 15 ARG HD3 . 30978 1
78 . 1 . 1 16 16 CYS H H 1 8.283 0.000 . . . . . . A 16 CYS H . 30978 1
79 . 1 . 1 16 16 CYS HA H 1 4.643 0.000 . . . . . . A 16 CYS HA . 30978 1
80 . 1 . 1 16 16 CYS HB2 H 1 3.027 0.000 . . . . . . A 16 CYS HB2 . 30978 1
81 . 1 . 1 16 16 CYS HB3 H 1 3.027 0.000 . . . . . . A 16 CYS HB3 . 30978 1
82 . 1 . 1 17 17 SER H H 1 8.313 0.000 . . . . . . A 17 SER H . 30978 1
83 . 1 . 1 17 17 SER HA H 1 4.604 0.000 . . . . . . A 17 SER HA . 30978 1
84 . 1 . 1 17 17 SER HB2 H 1 3.942 0.006 . . . . . . A 17 SER HB2 . 30978 1
85 . 1 . 1 17 17 SER HB3 H 1 4.026 0.003 . . . . . . A 17 SER HB3 . 30978 1
86 . 1 . 1 18 18 THR H H 1 8.047 0.000 . . . . . . A 18 THR H . 30978 1
87 . 1 . 1 18 18 THR HA H 1 4.507 0.000 . . . . . . A 18 THR HA . 30978 1
88 . 1 . 1 18 18 THR HB H 1 4.427 0.000 . . . . . . A 18 THR HB . 30978 1
89 . 1 . 1 18 18 THR HG21 H 1 1.290 0.000 . . . . . . A 18 THR HG21 . 30978 1
90 . 1 . 1 18 18 THR HG22 H 1 1.290 0.000 . . . . . . A 18 THR HG22 . 30978 1
91 . 1 . 1 18 18 THR HG23 H 1 1.290 0.000 . . . . . . A 18 THR HG23 . 30978 1
92 . 1 . 1 19 19 SER H H 1 8.138 0.000 . . . . . . A 19 SER H . 30978 1
93 . 1 . 1 19 19 SER HA H 1 4.595 0.000 . . . . . . A 19 SER HA . 30978 1
94 . 1 . 1 19 19 SER HB2 H 1 3.934 0.001 . . . . . . A 19 SER HB2 . 30978 1
95 . 1 . 1 19 19 SER HB3 H 1 3.970 0.000 . . . . . . A 19 SER HB3 . 30978 1
96 . 1 . 1 20 20 ASN H H 1 8.215 0.000 . . . . . . A 20 ASN H . 30978 1
97 . 1 . 1 20 20 ASN HA H 1 4.786 0.000 . . . . . . A 20 ASN HA . 30978 1
98 . 1 . 1 20 20 ASN HB2 H 1 2.893 0.000 . . . . . . A 20 ASN HB2 . 30978 1
99 . 1 . 1 20 20 ASN HB3 H 1 2.893 0.000 . . . . . . A 20 ASN HB3 . 30978 1
stop_
save_