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 34413
_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 TOCSY' . . . 34413 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $software_2 . . 34413 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 1 1 GLY HA2 H 1 4.098 . . . . . . . A 1 GLY HA2 . 34413 1
2 . 1 . 1 1 1 GLY HA3 H 1 4.098 . . . . . . . A 1 GLY HA3 . 34413 1
3 . 1 . 1 2 2 TRP H H 1 7.535 . . . . . . . A 2 TRP H . 34413 1
4 . 1 . 1 2 2 TRP HA H 1 4.509 . . . . . . . A 2 TRP HA . 34413 1
5 . 1 . 1 2 2 TRP HB2 H 1 3.325 . . . . . . . A 2 TRP HB2 . 34413 1
6 . 1 . 1 2 2 TRP HB3 H 1 3.231 . . . . . . . A 2 TRP HB3 . 34413 1
7 . 1 . 1 3 3 GLY H H 1 8.410 . . . . . . . A 3 GLY H . 34413 1
8 . 1 . 1 3 3 GLY HA2 H 1 3.956 . . . . . . . A 3 GLY HA2 . 34413 1
9 . 1 . 1 3 3 GLY HA3 H 1 3.956 . . . . . . . A 3 GLY HA3 . 34413 1
10 . 1 . 1 4 4 SER H H 1 7.991 . . . . . . . A 4 SER H . 34413 1
11 . 1 . 1 4 4 SER HA H 1 4.334 . . . . . . . A 4 SER HA . 34413 1
12 . 1 . 1 4 4 SER HB2 H 1 3.929 . . . . . . . A 4 SER HB2 . 34413 1
13 . 1 . 1 4 4 SER HB3 H 1 3.929 . . . . . . . A 4 SER HB3 . 34413 1
14 . 1 . 1 5 5 ILE H H 1 7.810 . . . . . . . A 5 ILE H . 34413 1
15 . 1 . 1 5 5 ILE HA H 1 3.861 . . . . . . . A 5 ILE HA . 34413 1
16 . 1 . 1 5 5 ILE HG12 H 1 1.763 . . . . . . . A 5 ILE HG12 . 34413 1
17 . 1 . 1 5 5 ILE HD11 H 1 0.532 . . . . . . . A 5 ILE HD11 . 34413 1
18 . 1 . 1 5 5 ILE HD12 H 1 0.532 . . . . . . . A 5 ILE HD12 . 34413 1
19 . 1 . 1 5 5 ILE HD13 H 1 0.532 . . . . . . . A 5 ILE HD13 . 34413 1
20 . 1 . 1 6 6 PHE H H 1 8.215 . . . . . . . A 6 PHE H . 34413 1
21 . 1 . 1 6 6 PHE HB2 H 1 3.245 . . . . . . . A 6 PHE HB2 . 34413 1
22 . 1 . 1 6 6 PHE HB3 H 1 2.965 . . . . . . . A 6 PHE HB3 . 34413 1
23 . 1 . 1 7 7 LYS H H 1 8.265 . . . . . . . A 7 LYS H . 34413 1
24 . 1 . 1 7 7 LYS HA H 1 4.215 . . . . . . . A 7 LYS HA . 34413 1
25 . 1 . 1 7 7 LYS HB2 H 1 1.848 . . . . . . . A 7 LYS HB2 . 34413 1
26 . 1 . 1 7 7 LYS HB3 H 1 1.848 . . . . . . . A 7 LYS HB3 . 34413 1
27 . 1 . 1 8 8 HIS H H 1 8.472 . . . . . . . A 8 HIS H . 34413 1
28 . 1 . 1 8 8 HIS HA H 1 4.514 . . . . . . . A 8 HIS HA . 34413 1
29 . 1 . 1 8 8 HIS HB2 H 1 3.338 . . . . . . . A 8 HIS HB2 . 34413 1
30 . 1 . 1 8 8 HIS HB3 H 1 3.225 . . . . . . . A 8 HIS HB3 . 34413 1
31 . 1 . 1 9 9 GLY H H 1 8.404 . . . . . . . A 9 GLY H . 34413 1
32 . 1 . 1 9 9 GLY HA2 H 1 3.844 . . . . . . . A 9 GLY HA2 . 34413 1
33 . 1 . 1 9 9 GLY HA3 H 1 3.844 . . . . . . . A 9 GLY HA3 . 34413 1
34 . 1 . 1 10 10 ARG H H 1 8.220 . . . . . . . A 10 ARG H . 34413 1
35 . 1 . 1 10 10 ARG HA H 1 4.295 . . . . . . . A 10 ARG HA . 34413 1
36 . 1 . 1 10 10 ARG HD2 H 1 3.121 . . . . . . . A 10 ARG HD2 . 34413 1
37 . 1 . 1 10 10 ARG HD3 H 1 3.121 . . . . . . . A 10 ARG HD3 . 34413 1
38 . 1 . 1 11 11 HIS H H 1 8.406 . . . . . . . A 11 HIS H . 34413 1
39 . 1 . 1 11 11 HIS HA H 1 4.632 . . . . . . . A 11 HIS HA . 34413 1
40 . 1 . 1 11 11 HIS HB2 H 1 3.297 . . . . . . . A 11 HIS HB2 . 34413 1
41 . 1 . 1 11 11 HIS HB3 H 1 3.297 . . . . . . . A 11 HIS HB3 . 34413 1
42 . 1 . 1 12 12 ALA H H 1 8.317 . . . . . . . A 12 ALA H . 34413 1
43 . 1 . 1 12 12 ALA HA H 1 4.223 . . . . . . . A 12 ALA HA . 34413 1
44 . 1 . 1 12 12 ALA HB1 H 1 1.445 . . . . . . . A 12 ALA HB1 . 34413 1
45 . 1 . 1 12 12 ALA HB2 H 1 1.445 . . . . . . . A 12 ALA HB2 . 34413 1
46 . 1 . 1 12 12 ALA HB3 H 1 1.445 . . . . . . . A 12 ALA HB3 . 34413 1
47 . 1 . 1 13 13 ALA H H 1 8.515 . . . . . . . A 13 ALA H . 34413 1
48 . 1 . 1 13 13 ALA HA H 1 4.315 . . . . . . . A 13 ALA HA . 34413 1
49 . 1 . 1 13 13 ALA HB1 H 1 1.578 . . . . . . . A 13 ALA HB1 . 34413 1
50 . 1 . 1 13 13 ALA HB2 H 1 1.578 . . . . . . . A 13 ALA HB2 . 34413 1
51 . 1 . 1 13 13 ALA HB3 H 1 1.578 . . . . . . . A 13 ALA HB3 . 34413 1
52 . 1 . 1 14 14 LYS H H 1 8.054 . . . . . . . A 14 LYS H . 34413 1
53 . 1 . 1 14 14 LYS HA H 1 3.974 . . . . . . . A 14 LYS HA . 34413 1
54 . 1 . 1 14 14 LYS HB2 H 1 1.834 . . . . . . . A 14 LYS HB2 . 34413 1
55 . 1 . 1 14 14 LYS HB3 H 1 1.834 . . . . . . . A 14 LYS HB3 . 34413 1
56 . 1 . 1 15 15 HIS H H 1 8.182 . . . . . . . A 15 HIS H . 34413 1
57 . 1 . 1 15 15 HIS HA H 1 4.281 . . . . . . . A 15 HIS HA . 34413 1
58 . 1 . 1 15 15 HIS HB2 H 1 3.246 . . . . . . . A 15 HIS HB2 . 34413 1
59 . 1 . 1 15 15 HIS HB3 H 1 3.246 . . . . . . . A 15 HIS HB3 . 34413 1
60 . 1 . 1 16 16 ILE H H 1 8.507 . . . . . . . A 16 ILE H . 34413 1
61 . 1 . 1 16 16 ILE HA H 1 3.815 . . . . . . . A 16 ILE HA . 34413 1
62 . 1 . 1 16 16 ILE HB H 1 1.916 . . . . . . . A 16 ILE HB . 34413 1
63 . 1 . 1 16 16 ILE HG21 H 1 0.928 . . . . . . . A 16 ILE HG21 . 34413 1
64 . 1 . 1 16 16 ILE HG22 H 1 0.928 . . . . . . . A 16 ILE HG22 . 34413 1
65 . 1 . 1 16 16 ILE HG23 H 1 0.928 . . . . . . . A 16 ILE HG23 . 34413 1
66 . 1 . 1 17 17 GLY H H 1 8.341 . . . . . . . A 17 GLY H . 34413 1
67 . 1 . 1 17 17 GLY HA2 H 1 3.932 . . . . . . . A 17 GLY HA2 . 34413 1
68 . 1 . 1 17 17 GLY HA3 H 1 3.932 . . . . . . . A 17 GLY HA3 . 34413 1
69 . 1 . 1 18 18 HIS H H 1 7.996 . . . . . . . A 18 HIS H . 34413 1
70 . 1 . 1 18 18 HIS HA H 1 4.588 . . . . . . . A 18 HIS HA . 34413 1
71 . 1 . 1 18 18 HIS HB2 H 1 3.373 . . . . . . . A 18 HIS HB2 . 34413 1
72 . 1 . 1 18 18 HIS HB3 H 1 3.373 . . . . . . . A 18 HIS HB3 . 34413 1
73 . 1 . 1 19 19 ALA H H 1 8.110 . . . . . . . A 19 ALA H . 34413 1
74 . 1 . 1 19 19 ALA HA H 1 4.204 . . . . . . . A 19 ALA HA . 34413 1
75 . 1 . 1 19 19 ALA HB1 H 1 1.565 . . . . . . . A 19 ALA HB1 . 34413 1
76 . 1 . 1 19 19 ALA HB2 H 1 1.565 . . . . . . . A 19 ALA HB2 . 34413 1
77 . 1 . 1 19 19 ALA HB3 H 1 1.565 . . . . . . . A 19 ALA HB3 . 34413 1
78 . 1 . 1 20 20 ALA H H 1 8.444 . . . . . . . A 20 ALA H . 34413 1
79 . 1 . 1 20 20 ALA HA H 1 4.315 . . . . . . . A 20 ALA HA . 34413 1
80 . 1 . 1 20 20 ALA HB1 H 1 1.459 . . . . . . . A 20 ALA HB1 . 34413 1
81 . 1 . 1 20 20 ALA HB2 H 1 1.459 . . . . . . . A 20 ALA HB2 . 34413 1
82 . 1 . 1 20 20 ALA HB3 H 1 1.459 . . . . . . . A 20 ALA HB3 . 34413 1
83 . 1 . 1 21 21 VAL H H 1 8.208 . . . . . . . A 21 VAL H . 34413 1
84 . 1 . 1 21 21 VAL HA H 1 3.675 . . . . . . . A 21 VAL HA . 34413 1
85 . 1 . 1 21 21 VAL HB H 1 2.201 . . . . . . . A 21 VAL HB . 34413 1
86 . 1 . 1 21 21 VAL HG11 H 1 1.105 . . . . . . . A 21 VAL HG11 . 34413 1
87 . 1 . 1 21 21 VAL HG12 H 1 1.105 . . . . . . . A 21 VAL HG12 . 34413 1
88 . 1 . 1 21 21 VAL HG13 H 1 1.105 . . . . . . . A 21 VAL HG13 . 34413 1
89 . 1 . 1 21 21 VAL HG21 H 1 1.018 . . . . . . . A 21 VAL HG21 . 34413 1
90 . 1 . 1 21 21 VAL HG22 H 1 1.018 . . . . . . . A 21 VAL HG22 . 34413 1
91 . 1 . 1 21 21 VAL HG23 H 1 1.018 . . . . . . . A 21 VAL HG23 . 34413 1
92 . 1 . 1 22 22 ASN H H 1 8.256 . . . . . . . A 22 ASN H . 34413 1
93 . 1 . 1 22 22 ASN HA H 1 4.375 . . . . . . . A 22 ASN HA . 34413 1
94 . 1 . 1 22 22 ASN HB2 H 1 2.733 . . . . . . . A 22 ASN HB2 . 34413 1
95 . 1 . 1 22 22 ASN HB3 H 1 2.733 . . . . . . . A 22 ASN HB3 . 34413 1
96 . 1 . 1 23 23 HIS H H 1 8.289 . . . . . . . A 23 HIS H . 34413 1
97 . 1 . 1 23 23 HIS HA H 1 4.706 . . . . . . . A 23 HIS HA . 34413 1
98 . 1 . 1 23 23 HIS HB2 H 1 3.413 . . . . . . . A 23 HIS HB2 . 34413 1
99 . 1 . 1 23 23 HIS HB3 H 1 3.267 . . . . . . . A 23 HIS HB3 . 34413 1
100 . 1 . 1 24 24 TYR H H 1 7.667 . . . . . . . A 24 TYR H . 34413 1
101 . 1 . 1 24 24 TYR HB2 H 1 3.315 . . . . . . . A 24 TYR HB2 . 34413 1
102 . 1 . 1 24 24 TYR HB3 H 1 2.928 . . . . . . . A 24 TYR HB3 . 34413 1
103 . 1 . 1 25 25 LEU H H 1 7.942 . . . . . . . A 25 LEU H . 34413 1
104 . 1 . 1 25 25 LEU HA H 1 4.288 . . . . . . . A 25 LEU HA . 34413 1
105 . 1 . 1 25 25 LEU HB2 H 1 1.823 . . . . . . . A 25 LEU HB2 . 34413 1
106 . 1 . 1 25 25 LEU HB3 H 1 1.701 . . . . . . . A 25 LEU HB3 . 34413 1
107 . 1 . 1 25 25 LEU HG H 1 1.400 . . . . . . . A 25 LEU HG . 34413 1
stop_
save_