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 36200
_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 $Chemical_shift_ref_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 NOESY' 1 $sample_1 isotropic 36200 1
2 '3D NOESY' 1 $sample_1 isotropic 36200 1
3 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36200 1
4 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36200 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 TYR H H 1 8.38 0.005 . 1 . . . . A 2 TYR H . 36200 1
2 . 1 . 1 2 2 TYR HA H 1 4.42 0.005 . 1 . . . . A 2 TYR HA . 36200 1
3 . 1 . 1 2 2 TYR N N 15 119.5 0.005 . 1 . . . . A 2 TYR N . 36200 1
4 . 1 . 1 3 3 HIS H H 1 8.03 0.005 . 1 . . . . A 3 HIS H . 36200 1
5 . 1 . 1 3 3 HIS HA H 1 4.32 0.005 . 1 . . . . A 3 HIS HA . 36200 1
6 . 1 . 1 3 3 HIS CA C 13 55.02 0.005 . 1 . . . . A 3 HIS CA . 36200 1
7 . 1 . 1 3 3 HIS N N 15 117.0 0.005 . 1 . . . . A 3 HIS N . 36200 1
8 . 1 . 1 4 4 PHE H H 1 7.66 0.005 . 1 . . . . A 4 PHE H . 36200 1
9 . 1 . 1 4 4 PHE HA H 1 4.52 0.005 . 1 . . . . A 4 PHE HA . 36200 1
10 . 1 . 1 4 4 PHE N N 15 118.7 0.005 . 1 . . . . A 4 PHE N . 36200 1
11 . 1 . 1 5 5 TRP H H 1 7.37 0.005 . 1 . . . . A 5 TRP H . 36200 1
12 . 1 . 1 5 5 TRP HA H 1 4.63 0.005 . 1 . . . . A 5 TRP HA . 36200 1
13 . 1 . 1 5 5 TRP N N 15 119.9 0.005 . 1 . . . . A 5 TRP N . 36200 1
14 . 1 . 1 6 6 HIS H H 1 7.84 0.005 . 1 . . . . A 6 HIS H . 36200 1
15 . 1 . 1 6 6 HIS HA H 1 4.37 0.005 . 1 . . . . A 6 HIS HA . 36200 1
16 . 1 . 1 6 6 HIS CA C 13 55.71 0.005 . 1 . . . . A 6 HIS CA . 36200 1
17 . 1 . 1 6 6 HIS N N 15 117.5 0.005 . 1 . . . . A 6 HIS N . 36200 1
18 . 1 . 1 7 7 ARG H H 1 7.82 0.005 . 1 . . . . A 7 ARG H . 36200 1
19 . 1 . 1 7 7 ARG HA H 1 4.25 0.005 . 1 . . . . A 7 ARG HA . 36200 1
20 . 1 . 1 7 7 ARG CA C 13 56.71 0.005 . 1 . . . . A 7 ARG CA . 36200 1
21 . 1 . 1 7 7 ARG N N 15 120.0 0.005 . 1 . . . . A 7 ARG N . 36200 1
22 . 1 . 1 8 8 GLY H H 1 8.36 0.005 . 1 . . . . A 8 GLY H . 36200 1
23 . 1 . 1 8 8 GLY HA2 H 1 4.05 0.005 . 1 . . . . A 8 GLY HA2 . 36200 1
24 . 1 . 1 8 8 GLY HA3 H 1 4.05 0.005 . 1 . . . . A 8 GLY HA3 . 36200 1
25 . 1 . 1 8 8 GLY CA C 13 45.60 0.005 . 1 . . . . A 8 GLY CA . 36200 1
26 . 1 . 1 8 8 GLY N N 15 109.7 0.005 . 1 . . . . A 8 GLY N . 36200 1
27 . 1 . 1 9 9 VAL H H 1 7.86 0.005 . 1 . . . . A 9 VAL H . 36200 1
28 . 1 . 1 9 9 VAL HA H 1 4.05 0.005 . 1 . . . . A 9 VAL HA . 36200 1
29 . 1 . 1 9 9 VAL CA C 13 62.83 0.005 . 1 . . . . A 9 VAL CA . 36200 1
30 . 1 . 1 9 9 VAL N N 15 118.6 0.005 . 1 . . . . A 9 VAL N . 36200 1
31 . 1 . 1 10 10 THR H H 1 7.99 0.005 . 1 . . . . A 10 THR H . 36200 1
32 . 1 . 1 10 10 THR HA H 1 4.45 0.005 . 1 . . . . A 10 THR HA . 36200 1
33 . 1 . 1 10 10 THR N N 15 115.4 0.005 . 1 . . . . A 10 THR N . 36200 1
34 . 1 . 1 11 11 LYS H H 1 8.21 0.005 . 1 . . . . A 11 LYS H . 36200 1
35 . 1 . 1 11 11 LYS HA H 1 4.34 0.005 . 1 . . . . A 11 LYS HA . 36200 1
36 . 1 . 1 11 11 LYS CA C 13 56.96 0.005 . 1 . . . . A 11 LYS CA . 36200 1
37 . 1 . 1 11 11 LYS N N 15 122.5 0.005 . 1 . . . . A 11 LYS N . 36200 1
38 . 1 . 1 12 12 ARG H H 1 8.01 0.005 . 1 . . . . A 12 ARG H . 36200 1
39 . 1 . 1 12 12 ARG HA H 1 4.30 0.005 . 1 . . . . A 12 ARG HA . 36200 1
40 . 1 . 1 12 12 ARG N N 15 120.5 0.005 . 1 . . . . A 12 ARG N . 36200 1
41 . 1 . 1 13 13 SER H H 1 8.16 0.005 . 1 . . . . A 13 SER H . 36200 1
42 . 1 . 1 13 13 SER HA H 1 4.40 0.005 . 1 . . . . A 13 SER HA . 36200 1
43 . 1 . 1 13 13 SER CA C 13 58.86 0.005 . 1 . . . . A 13 SER CA . 36200 1
44 . 1 . 1 13 13 SER N N 15 115.2 0.005 . 1 . . . . A 13 SER N . 36200 1
45 . 1 . 1 14 14 LEU H H 1 8.06 0.005 . 1 . . . . A 14 LEU H . 36200 1
46 . 1 . 1 14 14 LEU HA H 1 4.47 0.005 . 1 . . . . A 14 LEU HA . 36200 1
47 . 1 . 1 14 14 LEU CA C 13 54.9 0.005 . 1 . . . . A 14 LEU CA . 36200 1
48 . 1 . 1 14 14 LEU N N 15 123.2 0.005 . 1 . . . . A 14 LEU N . 36200 1
49 . 1 . 1 15 15 SER H H 1 8.11 0.005 . 1 . . . . A 15 SER H . 36200 1
50 . 1 . 1 15 15 SER HA H 1 4.90 0.005 . 1 . . . . A 15 SER HA . 36200 1
51 . 1 . 1 15 15 SER N N 15 115.8 0.005 . 1 . . . . A 15 SER N . 36200 1
52 . 1 . 1 16 16 PRO HA H 1 4.41 0.005 . 1 . . . . A 16 PRO HA . 36200 1
53 . 1 . 1 16 16 PRO CA C 13 63.37 0.005 . 1 . . . . A 16 PRO CA . 36200 1
54 . 1 . 1 17 17 HIS H H 1 8.06 0.005 . 1 . . . . A 17 HIS H . 36200 1
55 . 1 . 1 17 17 HIS HA H 1 4.76 0.005 . 1 . . . . A 17 HIS HA . 36200 1
56 . 1 . 1 17 17 HIS N N 15 117.0 0.005 . 1 . . . . A 17 HIS N . 36200 1
57 . 1 . 1 18 18 ARG H H 1 8.12 0.005 . 1 . . . . A 18 ARG H . 36200 1
58 . 1 . 1 18 18 ARG HA H 1 4.57 0.005 . 1 . . . . A 18 ARG HA . 36200 1
59 . 1 . 1 18 18 ARG CA C 13 54.30 0.005 . 1 . . . . A 18 ARG CA . 36200 1
60 . 1 . 1 18 18 ARG N N 15 120.5 0.005 . 1 . . . . A 18 ARG N . 36200 1
61 . 1 . 1 19 19 PRO HA H 1 4.53 0.005 . 1 . . . . A 19 PRO HA . 36200 1
62 . 1 . 1 19 19 PRO CA C 13 63.44 0.005 . 1 . . . . A 19 PRO CA . 36200 1
63 . 1 . 1 20 20 ARG H H 1 8.25 0.005 . 1 . . . . A 20 ARG H . 36200 1
64 . 1 . 1 20 20 ARG HA H 1 4.33 0.005 . 1 . . . . A 20 ARG HA . 36200 1
65 . 1 . 1 20 20 ARG N N 15 119.6 0.005 . 1 . . . . A 20 ARG N . 36200 1
66 . 1 . 1 21 21 HIS H H 1 8.23 0.005 . 1 . . . . A 21 HIS H . 36200 1
67 . 1 . 1 21 21 HIS HA H 1 4.69 0.005 . 1 . . . . A 21 HIS HA . 36200 1
68 . 1 . 1 21 21 HIS N N 15 117.1 0.005 . 1 . . . . A 21 HIS N . 36200 1
69 . 1 . 1 22 22 SER H H 1 8.22 0.005 . 1 . . . . A 22 SER H . 36200 1
70 . 1 . 1 22 22 SER HA H 1 4.46 0.005 . 1 . . . . A 22 SER HA . 36200 1
71 . 1 . 1 22 22 SER CA C 13 58.83 0.005 . 1 . . . . A 22 SER CA . 36200 1
72 . 1 . 1 22 22 SER N N 15 115.8 0.005 . 1 . . . . A 22 SER N . 36200 1
73 . 1 . 1 23 23 ARG H H 1 8.34 0.005 . 1 . . . . A 23 ARG H . 36200 1
74 . 1 . 1 23 23 ARG HA H 1 4.38 0.005 . 1 . . . . A 23 ARG HA . 36200 1
75 . 1 . 1 23 23 ARG CA C 13 56.92 0.005 . 1 . . . . A 23 ARG CA . 36200 1
76 . 1 . 1 23 23 ARG N N 15 121.3 0.005 . 1 . . . . A 23 ARG N . 36200 1
77 . 1 . 1 24 24 LEU H H 1 7.93 0.005 . 1 . . . . A 24 LEU H . 36200 1
78 . 1 . 1 24 24 LEU HA H 1 4.31 0.005 . 1 . . . . A 24 LEU HA . 36200 1
79 . 1 . 1 24 24 LEU CA C 13 55.10 0.005 . 1 . . . . A 24 LEU CA . 36200 1
80 . 1 . 1 24 24 LEU N N 15 119.6 0.005 . 1 . . . . A 24 LEU N . 36200 1
81 . 1 . 1 25 25 GLN H H 1 7.96 0.005 . 1 . . . . A 25 GLN H . 36200 1
82 . 1 . 1 25 25 GLN HA H 1 4.33 0.005 . 1 . . . . A 25 GLN HA . 36200 1
83 . 1 . 1 25 25 GLN CA C 13 55.55 0.005 . 1 . . . . A 25 GLN CA . 36200 1
84 . 1 . 1 25 25 GLN N N 15 120.1 0.005 . 1 . . . . A 25 GLN N . 36200 1
85 . 1 . 1 26 26 ARG H H 1 7.97 0.005 . 1 . . . . A 26 ARG H . 36200 1
86 . 1 . 1 26 26 ARG HA H 1 4.28 0.005 . 1 . . . . A 26 ARG HA . 36200 1
87 . 1 . 1 26 26 ARG CA C 13 56.96 0.005 . 1 . . . . A 26 ARG CA . 36200 1
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