Content for NMR-STAR saveframe, "assigned_chem_shift_list2"
save_assigned_chem_shift_list2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list2
_Assigned_chem_shift_list.Entry_ID 11013
_Assigned_chem_shift_list.ID 2
_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_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 'The list provides data from deteriorated protein'
_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-15N HSQC' 1 $sample_1 isotropic 11013 2
2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11013 2
3 '3D C(CO)NH' 1 $sample_1 isotropic 11013 2
4 '3D HNCO' 1 $sample_1 isotropic 11013 2
5 '3D HNCA' 1 $sample_1 isotropic 11013 2
6 '3D HNCACB' 1 $sample_1 isotropic 11013 2
7 '3D HN(CO)CA' 1 $sample_1 isotropic 11013 2
8 '3D H(CCO)NH' 1 $sample_1 isotropic 11013 2
9 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 11013 2
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 2 2 GLU C C 13 175.7 . . 1 . . . . 2 Glu C . 11013 2
2 . 1 1 2 2 GLU CA C 13 57.04 0.11 . 1 . . . . 2 Glu CA . 11013 2
3 . 1 1 2 2 GLU CB C 13 31.28 0.01 . 1 . . . . 2 Glu CB . 11013 2
4 . 1 1 3 3 ASP H H 1 8.733 0.004 . 1 . . . . 3 Asp H . 11013 2
5 . 1 1 3 3 ASP C C 13 176.6 . . 1 . . . . 3 Asp C . 11013 2
6 . 1 1 3 3 ASP CA C 13 55.23 0.30 . 1 . . . . 3 Asp CA . 11013 2
7 . 1 1 3 3 ASP CB C 13 41.79 0.09 . 1 . . . . 3 Asp CB . 11013 2
8 . 1 1 3 3 ASP N N 15 121.82 0.07 . 1 . . . . 3 Asp N . 11013 2
9 . 1 1 4 4 LEU H H 1 8.501 0.003 . 1 . . . . 4 Leu H . 11013 2
10 . 1 1 4 4 LEU C C 13 177.5 . . 1 . . . . 4 Leu C . 11013 2
11 . 1 1 4 4 LEU CA C 13 56.22 0.08 . 1 . . . . 4 Leu CA . 11013 2
12 . 1 1 4 4 LEU CB C 13 42.95 0.10 . 1 . . . . 4 Leu CB . 11013 2
13 . 1 1 4 4 LEU N N 15 122.73 0.05 . 1 . . . . 4 Leu N . 11013 2
14 . 1 1 5 5 ASP H H 1 8.500 0.001 . 1 . . . . 5 Asp H . 11013 2
15 . 1 1 5 5 ASP C C 13 176.1 . . 1 . . . . 5 Asp C . 11013 2
16 . 1 1 5 5 ASP CA C 13 55.42 0.18 . 1 . . . . 5 Asp CA . 11013 2
17 . 1 1 5 5 ASP CB C 13 41.80 0.18 . 1 . . . . 5 Asp CB . 11013 2
18 . 1 1 5 5 ASP N N 15 119.90 0.13 . 1 . . . . 5 Asp N . 11013 2
19 . 1 1 6 6 LYS H H 1 8.136 0.002 . 1 . . . . 6 Lys H . 11013 2
20 . 1 1 6 6 LYS C C 13 176.3 . . 1 . . . . 6 Lys C . 11013 2
21 . 1 1 6 6 LYS CA C 13 56.76 0.12 . 1 . . . . 6 Lys CA . 11013 2
22 . 1 1 6 6 LYS CB C 13 33.78 0.23 . 1 . . . . 6 Lys CB . 11013 2
23 . 1 1 6 6 LYS N N 15 120.83 0.02 . 1 . . . . 6 Lys N . 11013 2
24 . 1 1 7 7 VAL H H 1 8.257 0.010 . 1 . . . . 7 Val H . 11013 2
25 . 1 1 7 7 VAL C C 13 176.0 . . 1 . . . . 7 Val C . 11013 2
26 . 1 1 7 7 VAL CA C 13 62.63 0.19 . 1 . . . . 7 Val CA . 11013 2
27 . 1 1 7 7 VAL CB C 13 33.72 0.24 . 1 . . . . 7 Val CB . 11013 2
28 . 1 1 7 7 VAL N N 15 121.92 0.07 . 1 . . . . 7 Val N . 11013 2
29 . 1 1 8 8 GLU H H 1 8.708 0.007 . 1 . . . . 8 Glu H . 11013 2
30 . 1 1 8 8 GLU CA C 13 55.00 0.04 . 1 . . . . 8 Glu CA . 11013 2
31 . 1 1 8 8 GLU CB C 13 30.58 . . 1 . . . . 8 Glu CB . 11013 2
32 . 1 1 8 8 GLU N N 15 126.81 0.03 . 1 . . . . 8 Glu N . 11013 2
33 . 1 1 9 9 PRO C C 13 177.0 . . 1 . . . . 9 Pro C . 11013 2
34 . 1 1 9 9 PRO CA C 13 64.11 0.05 . 1 . . . . 9 Pro CA . 11013 2
35 . 1 1 9 9 PRO CB C 13 32.61 0.19 . 1 . . . . 9 Pro CB . 11013 2
36 . 1 1 10 10 ALA H H 1 8.603 0.003 . 1 . . . . 10 Ala H . 11013 2
37 . 1 1 10 10 ALA C C 13 178.1 . . 1 . . . . 10 Ala C . 11013 2
38 . 1 1 10 10 ALA CA C 13 53.72 0.08 . 1 . . . . 10 Ala CA . 11013 2
39 . 1 1 10 10 ALA CB C 13 19.71 0.31 . 1 . . . . 10 Ala CB . 11013 2
40 . 1 1 10 10 ALA N N 15 123.36 0.07 . 1 . . . . 10 Ala N . 11013 2
41 . 1 1 11 11 VAL H H 1 8.163 0.007 . 1 . . . . 11 Val H . 11013 2
42 . 1 1 11 11 VAL C C 13 176.6 . . 1 . . . . 11 Val C . 11013 2
43 . 1 1 11 11 VAL CA C 13 63.44 0.22 . 1 . . . . 11 Val CA . 11013 2
44 . 1 1 11 11 VAL CB C 13 33.17 . . 1 . . . . 11 Val CB . 11013 2
45 . 1 1 11 11 VAL N N 15 118.93 0.03 . 1 . . . . 11 Val N . 11013 2
46 . 1 1 12 12 ILE H H 1 8.271 0.008 . 1 . . . . 12 Ile H . 11013 2
47 . 1 1 12 12 ILE CA C 13 62.14 0.14 . 1 . . . . 12 Ile CA . 11013 2
48 . 1 1 12 12 ILE CB C 13 39.31 . . 1 . . . . 12 Ile CB . 11013 2
49 . 1 1 12 12 ILE N N 15 124.68 0.14 . 1 . . . . 12 Ile N . 11013 2
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