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 34404
_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' . . . 34404 1
2 '2D 1H-1H NOESY' . . . 34404 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
1 $software_1 . . 34404 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 TRP H H 1 8.020 0.020 . 1 . . . . A 2 TRP H . 34404 1
2 . 1 . 1 2 2 TRP HA H 1 4.286 0.020 . 1 . . . . A 2 TRP HA . 34404 1
3 . 1 . 1 2 2 TRP HB2 H 1 3.278 0.020 . 1 . . . . A 2 TRP HB2 . 34404 1
4 . 1 . 1 2 2 TRP HB3 H 1 3.278 0.020 . 1 . . . . A 2 TRP HB3 . 34404 1
5 . 1 . 1 3 3 GLY H H 1 8.561 0.020 . 1 . . . . A 3 GLY H . 34404 1
6 . 1 . 1 3 3 GLY HA2 H 1 3.751 0.020 . 1 . . . . A 3 GLY HA2 . 34404 1
7 . 1 . 1 3 3 GLY HA3 H 1 3.751 0.020 . 1 . . . . A 3 GLY HA3 . 34404 1
8 . 1 . 1 4 4 SER H H 1 8.487 0.020 . 1 . . . . A 4 SER H . 34404 1
9 . 1 . 1 4 4 SER HA H 1 3.958 0.020 . 1 . . . . A 4 SER HA . 34404 1
10 . 1 . 1 4 4 SER HB2 H 1 3.806 0.020 . 1 . . . . A 4 SER HB2 . 34404 1
11 . 1 . 1 4 4 SER HB3 H 1 3.806 0.020 . 1 . . . . A 4 SER HB3 . 34404 1
12 . 1 . 1 5 5 PHE H H 1 8.210 0.020 . 1 . . . . A 5 PHE H . 34404 1
13 . 1 . 1 5 5 PHE HA H 1 4.280 0.020 . 1 . . . . A 5 PHE HA . 34404 1
14 . 1 . 1 5 5 PHE HB2 H 1 3.097 0.020 . 1 . . . . A 5 PHE HB2 . 34404 1
15 . 1 . 1 5 5 PHE HB3 H 1 3.097 0.020 . 1 . . . . A 5 PHE HB3 . 34404 1
16 . 1 . 1 6 6 PHE H H 1 8.196 0.020 . 1 . . . . A 6 PHE H . 34404 1
17 . 1 . 1 6 6 PHE HA H 1 4.265 0.020 . 1 . . . . A 6 PHE HA . 34404 1
18 . 1 . 1 6 6 PHE HB2 H 1 3.003 0.020 . 1 . . . . A 6 PHE HB2 . 34404 1
19 . 1 . 1 6 6 PHE HB3 H 1 3.003 0.020 . 1 . . . . A 6 PHE HB3 . 34404 1
20 . 1 . 1 7 7 ARG H H 1 7.779 0.020 . 1 . . . . A 7 ARG H . 34404 1
21 . 1 . 1 7 7 ARG HA H 1 4.091 0.020 . 1 . . . . A 7 ARG HA . 34404 1
22 . 1 . 1 7 7 ARG HD2 H 1 3.145 0.020 . 1 . . . . A 7 ARG HD2 . 34404 1
23 . 1 . 1 7 7 ARG HD3 H 1 3.145 0.020 . 1 . . . . A 7 ARG HD3 . 34404 1
24 . 1 . 1 9 9 ALA H H 1 8.043 0.020 . 1 . . . . A 9 ALA H . 34404 1
25 . 1 . 1 9 9 ALA HA H 1 4.018 0.020 . 1 . . . . A 9 ALA HA . 34404 1
26 . 1 . 1 9 9 ALA HB1 H 1 1.387 0.020 . 1 . . . . A 9 ALA HB1 . 34404 1
27 . 1 . 1 9 9 ALA HB2 H 1 1.387 0.020 . 1 . . . . A 9 ALA HB2 . 34404 1
28 . 1 . 1 9 9 ALA HB3 H 1 1.387 0.020 . 1 . . . . A 9 ALA HB3 . 34404 1
29 . 1 . 1 10 10 ALA H H 1 8.417 0.020 . 1 . . . . A 10 ALA H . 34404 1
30 . 1 . 1 10 10 ALA HA H 1 4.117 0.020 . 1 . . . . A 10 ALA HA . 34404 1
31 . 1 . 1 10 10 ALA HB1 H 1 1.547 0.020 . 1 . . . . A 10 ALA HB1 . 34404 1
32 . 1 . 1 10 10 ALA HB2 H 1 1.547 0.020 . 1 . . . . A 10 ALA HB2 . 34404 1
33 . 1 . 1 10 10 ALA HB3 H 1 1.547 0.020 . 1 . . . . A 10 ALA HB3 . 34404 1
34 . 1 . 1 12 12 VAL H H 1 8.003 0.020 . 1 . . . . A 12 VAL H . 34404 1
35 . 1 . 1 12 12 VAL HA H 1 3.921 0.020 . 1 . . . . A 12 VAL HA . 34404 1
36 . 1 . 1 12 12 VAL HB H 1 2.189 0.020 . 1 . . . . A 12 VAL HB . 34404 1
37 . 1 . 1 12 12 VAL HG11 H 1 1.040 0.020 . 2 . . . . A 12 VAL HG11 . 34404 1
38 . 1 . 1 12 12 VAL HG12 H 1 1.040 0.020 . 2 . . . . A 12 VAL HG12 . 34404 1
39 . 1 . 1 12 12 VAL HG13 H 1 1.040 0.020 . 2 . . . . A 12 VAL HG13 . 34404 1
40 . 1 . 1 12 12 VAL HG21 H 1 0.970 0.020 . 2 . . . . A 12 VAL HG21 . 34404 1
41 . 1 . 1 12 12 VAL HG22 H 1 0.970 0.020 . 2 . . . . A 12 VAL HG22 . 34404 1
42 . 1 . 1 12 12 VAL HG23 H 1 0.970 0.020 . 2 . . . . A 12 VAL HG23 . 34404 1
43 . 1 . 1 13 13 GLY H H 1 8.599 0.020 . 1 . . . . A 13 GLY H . 34404 1
44 . 1 . 1 13 13 GLY HA2 H 1 3.741 0.020 . 1 . . . . A 13 GLY HA2 . 34404 1
45 . 1 . 1 13 13 GLY HA3 H 1 3.741 0.020 . 1 . . . . A 13 GLY HA3 . 34404 1
46 . 1 . 1 14 14 ARG H H 1 8.223 0.020 . 1 . . . . A 14 ARG H . 34404 1
47 . 1 . 1 14 14 ARG HA H 1 3.972 0.020 . 1 . . . . A 14 ARG HA . 34404 1
48 . 1 . 1 15 15 HIS H H 1 7.940 0.020 . 1 . . . . A 15 HIS H . 34404 1
49 . 1 . 1 15 15 HIS HA H 1 4.520 0.020 . 1 . . . . A 15 HIS HA . 34404 1
50 . 1 . 1 15 15 HIS HB2 H 1 3.379 0.020 . 2 . . . . A 15 HIS HB2 . 34404 1
51 . 1 . 1 15 15 HIS HB3 H 1 3.337 0.020 . 2 . . . . A 15 HIS HB3 . 34404 1
52 . 1 . 1 16 16 VAL H H 1 8.402 0.020 . 1 . . . . A 16 VAL H . 34404 1
53 . 1 . 1 16 16 VAL HA H 1 3.829 0.020 . 1 . . . . A 16 VAL HA . 34404 1
54 . 1 . 1 16 16 VAL HB H 1 2.168 0.020 . 1 . . . . A 16 VAL HB . 34404 1
55 . 1 . 1 16 16 VAL HG11 H 1 1.041 0.020 . 2 . . . . A 16 VAL HG11 . 34404 1
56 . 1 . 1 16 16 VAL HG12 H 1 1.041 0.020 . 2 . . . . A 16 VAL HG12 . 34404 1
57 . 1 . 1 16 16 VAL HG13 H 1 1.041 0.020 . 2 . . . . A 16 VAL HG13 . 34404 1
58 . 1 . 1 16 16 VAL HG21 H 1 0.962 0.020 . 2 . . . . A 16 VAL HG21 . 34404 1
59 . 1 . 1 16 16 VAL HG22 H 1 0.962 0.020 . 2 . . . . A 16 VAL HG22 . 34404 1
60 . 1 . 1 16 16 VAL HG23 H 1 0.962 0.020 . 2 . . . . A 16 VAL HG23 . 34404 1
61 . 1 . 1 17 17 GLY H H 1 8.003 0.020 . 1 . . . . A 17 GLY H . 34404 1
62 . 1 . 1 17 17 GLY HA2 H 1 3.921 0.020 . 1 . . . . A 17 GLY HA2 . 34404 1
63 . 1 . 1 17 17 GLY HA3 H 1 3.921 0.020 . 1 . . . . A 17 GLY HA3 . 34404 1
64 . 1 . 1 18 18 ARG H H 1 8.100 0.020 . 1 . . . . A 18 ARG H . 34404 1
65 . 1 . 1 18 18 ARG HA H 1 4.071 0.020 . 1 . . . . A 18 ARG HA . 34404 1
66 . 1 . 1 18 18 ARG HB2 H 1 1.797 0.020 . 1 . . . . A 18 ARG HB2 . 34404 1
67 . 1 . 1 18 18 ARG HB3 H 1 1.797 0.020 . 1 . . . . A 18 ARG HB3 . 34404 1
68 . 1 . 1 20 20 ALA H H 1 8.169 0.020 . 1 . . . . A 20 ALA H . 34404 1
69 . 1 . 1 20 20 ALA HA H 1 3.962 0.020 . 1 . . . . A 20 ALA HA . 34404 1
70 . 1 . 1 20 20 ALA HB1 H 1 1.214 0.020 . 1 . . . . A 20 ALA HB1 . 34404 1
71 . 1 . 1 20 20 ALA HB2 H 1 1.214 0.020 . 1 . . . . A 20 ALA HB2 . 34404 1
72 . 1 . 1 20 20 ALA HB3 H 1 1.214 0.020 . 1 . . . . A 20 ALA HB3 . 34404 1
73 . 1 . 1 21 21 LEU H H 1 8.293 0.020 . 1 . . . . A 21 LEU H . 34404 1
74 . 1 . 1 21 21 LEU HA H 1 4.141 0.020 . 1 . . . . A 21 LEU HA . 34404 1
75 . 1 . 1 21 21 LEU HB2 H 1 1.798 0.020 . 1 . . . . A 21 LEU HB2 . 34404 1
76 . 1 . 1 21 21 LEU HB3 H 1 1.798 0.020 . 1 . . . . A 21 LEU HB3 . 34404 1
77 . 1 . 1 21 21 LEU HD11 H 1 0.932 0.020 . 1 . . . . A 21 LEU HD11 . 34404 1
78 . 1 . 1 21 21 LEU HD12 H 1 0.932 0.020 . 1 . . . . A 21 LEU HD12 . 34404 1
79 . 1 . 1 21 21 LEU HD13 H 1 0.932 0.020 . 1 . . . . A 21 LEU HD13 . 34404 1
80 . 1 . 1 21 21 LEU HD21 H 1 0.932 0.020 . 1 . . . . A 21 LEU HD21 . 34404 1
81 . 1 . 1 21 21 LEU HD22 H 1 0.932 0.020 . 1 . . . . A 21 LEU HD22 . 34404 1
82 . 1 . 1 21 21 LEU HD23 H 1 0.932 0.020 . 1 . . . . A 21 LEU HD23 . 34404 1
83 . 1 . 1 22 22 THR H H 1 8.314 0.020 . 1 . . . . A 22 THR H . 34404 1
84 . 1 . 1 22 22 THR HA H 1 4.274 0.020 . 1 . . . . A 22 THR HA . 34404 1
85 . 1 . 1 22 22 THR HB H 1 3.921 0.020 . 1 . . . . A 22 THR HB . 34404 1
86 . 1 . 1 22 22 THR HG21 H 1 1.260 0.020 . 1 . . . . A 22 THR HG1 . 34404 1
87 . 1 . 1 22 22 THR HG22 H 1 1.260 0.020 . 1 . . . . A 22 THR HG1 . 34404 1
88 . 1 . 1 22 22 THR HG23 H 1 1.260 0.020 . 1 . . . . A 22 THR HG1 . 34404 1
89 . 1 . 1 23 23 HIS H H 1 8.495 0.020 . 1 . . . . A 23 HIS H . 34404 1
90 . 1 . 1 23 23 HIS HA H 1 4.531 0.020 . 1 . . . . A 23 HIS HA . 34404 1
91 . 1 . 1 23 23 HIS HB2 H 1 3.359 0.020 . 2 . . . . A 23 HIS HB2 . 34404 1
92 . 1 . 1 23 23 HIS HB3 H 1 3.214 0.020 . 2 . . . . A 23 HIS HB3 . 34404 1
93 . 1 . 1 24 24 TYR H H 1 8.017 0.020 . 1 . . . . A 24 TYR H . 34404 1
94 . 1 . 1 24 24 TYR HA H 1 4.196 0.020 . 1 . . . . A 24 TYR HA . 34404 1
95 . 1 . 1 25 25 LEU H H 1 8.160 0.020 . 1 . . . . A 25 LEU H . 34404 1
96 . 1 . 1 25 25 LEU HA H 1 4.165 0.020 . 1 . . . . A 25 LEU HA . 34404 1
97 . 1 . 1 25 25 LEU HB2 H 1 1.800 0.020 . 1 . . . . A 25 LEU HB2 . 34404 1
98 . 1 . 1 25 25 LEU HB3 H 1 1.800 0.020 . 1 . . . . A 25 LEU HB3 . 34404 1
99 . 1 . 1 25 25 LEU HG H 1 1.589 0.020 . 1 . . . . A 25 LEU HG . 34404 1
100 . 1 . 1 25 25 LEU HD11 H 1 0.932 0.020 . 1 . . . . A 25 LEU HD11 . 34404 1
101 . 1 . 1 25 25 LEU HD12 H 1 0.932 0.020 . 1 . . . . A 25 LEU HD12 . 34404 1
102 . 1 . 1 25 25 LEU HD13 H 1 0.932 0.020 . 1 . . . . A 25 LEU HD13 . 34404 1
103 . 1 . 1 25 25 LEU HD21 H 1 0.932 0.020 . 1 . . . . A 25 LEU HD21 . 34404 1
104 . 1 . 1 25 25 LEU HD22 H 1 0.932 0.020 . 1 . . . . A 25 LEU HD22 . 34404 1
105 . 1 . 1 25 25 LEU HD23 H 1 0.932 0.020 . 1 . . . . A 25 LEU HD23 . 34404 1
stop_
save_