Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 52001
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name KRAS4a_GDP.str
_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
;
The protein has slow conformational exchange and there are residues with double amide peaks:
K5-V9, G10-G13, S17-I24, G60, E62, Q70, M72-G75, V103, D119, S145-K147, V152, A155, T158.
;
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
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_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' . . . 52001 2
2 '3D CBCA(CO)NH' . . . 52001 2
3 '3D HNCACB' . . . 52001 2
4 '3D C(CO)NH' . . . 52001 2
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_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 . . 52001 2
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_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 5 5 LYS H H 1 9.155 0.01 . 1 . . . . . 5 LYS H . 52001 2
2 . 1 . 1 5 5 LYS N N 15 124.720 0.04 . 1 . . . . . 5 LYS N . 52001 2
3 . 1 . 1 6 6 LEU H H 1 9.509 0.04 . 1 . . . . . 6 LEU H . 52001 2
4 . 1 . 1 6 6 LEU N N 15 126.507 0.10 . 1 . . . . . 6 LEU N . 52001 2
5 . 1 . 1 7 7 VAL H H 1 7.995 0.01 . 1 . . . . . 7 VAL H . 52001 2
6 . 1 . 1 7 7 VAL N N 15 121.114 0.02 . 1 . . . . . 7 VAL N . 52001 2
7 . 1 . 1 8 8 VAL H H 1 8.990 0.04 . 1 . . . . . 8 VAL H . 52001 2
8 . 1 . 1 8 8 VAL N N 15 129.109 0.08 . 1 . . . . . 8 VAL N . 52001 2
9 . 1 . 1 9 9 VAL H H 1 9.175 0.00 . 1 . . . . . 9 VAL H . 52001 2
10 . 1 . 1 9 9 VAL N N 15 121.064 0.01 . 1 . . . . . 9 VAL N . 52001 2
11 . 1 . 1 10 10 GLY H H 1 7.210 0.01 . 1 . . . . . 10 GLY H . 52001 2
12 . 1 . 1 10 10 GLY N N 15 107.822 0.03 . 1 . . . . . 10 GLY N . 52001 2
13 . 1 . 1 12 12 GLY H H 1 8.645 0.00 . 1 . . . . . 12 GLY H . 52001 2
14 . 1 . 1 12 12 GLY N N 15 106.517 0.04 . 1 . . . . . 12 GLY N . 52001 2
15 . 1 . 1 13 13 GLY H H 1 10.562 0.05 . 1 . . . . . 13 GLY H . 52001 2
16 . 1 . 1 13 13 GLY N N 15 114.998 0.13 . 1 . . . . . 13 GLY N . 52001 2
17 . 1 . 1 17 17 SER H H 1 9.369 0.00 . 1 . . . . . 17 SER H . 52001 2
18 . 1 . 1 17 17 SER N N 15 120.618 0.01 . 1 . . . . . 17 SER N . 52001 2
19 . 1 . 1 18 18 ALA H H 1 9.553 0.00 . 1 . . . . . 18 ALA H . 52001 2
20 . 1 . 1 18 18 ALA N N 15 125.613 0.00 . 1 . . . . . 18 ALA N . 52001 2
21 . 1 . 1 19 19 LEU H H 1 9.020 0.06 . 1 . . . . . 19 LEU H . 52001 2
22 . 1 . 1 19 19 LEU N N 15 120.170 0.27 . 1 . . . . . 19 LEU N . 52001 2
23 . 1 . 1 20 20 THR H H 1 7.703 0.01 . 1 . . . . . 20 THR H . 52001 2
24 . 1 . 1 20 20 THR N N 15 116.829 0.13 . 1 . . . . . 20 THR N . 52001 2
25 . 1 . 1 21 21 ILE H H 1 8.924 0.01 . 1 . . . . . 21 ILE H . 52001 2
26 . 1 . 1 21 21 ILE N N 15 120.715 0.09 . 1 . . . . . 21 ILE N . 52001 2
27 . 1 . 1 22 22 GLN H H 1 7.867 0.03 . 1 . . . . . 22 GLN H . 52001 2
28 . 1 . 1 22 22 GLN N N 15 120.753 0.03 . 1 . . . . . 22 GLN N . 52001 2
29 . 1 . 1 23 23 LEU H H 1 7.632 0.01 . 1 . . . . . 23 LEU H . 52001 2
30 . 1 . 1 23 23 LEU N N 15 120.652 0.00 . 1 . . . . . 23 LEU N . 52001 2
31 . 1 . 1 24 24 ILE H H 1 8.102 0.04 . 1 . . . . . 24 ILE H . 52001 2
32 . 1 . 1 24 24 ILE N N 15 114.788 0.00 . 1 . . . . . 24 ILE N . 52001 2
33 . 1 . 1 60 60 GLY H H 1 8.393 0.01 . 1 . . . . . 60 GLY H . 52001 2
34 . 1 . 1 60 60 GLY N N 15 108.148 0.02 . 1 . . . . . 60 GLY N . 52001 2
35 . 1 . 1 62 62 GLU H H 1 8.788 0.01 . 1 . . . . . 62 GLU H . 52001 2
36 . 1 . 1 62 62 GLU N N 15 120.814 0.03 . 1 . . . . . 62 GLU N . 52001 2
37 . 1 . 1 70 70 GLN H H 1 7.880 0.00 . 1 . . . . . 70 GLN H . 52001 2
38 . 1 . 1 70 70 GLN N N 15 117.845 0.00 . 1 . . . . . 70 GLN N . 52001 2
39 . 1 . 1 72 72 MET H H 1 8.491 0.00 . 1 . . . . . 72 MET H . 52001 2
40 . 1 . 1 72 72 MET N N 15 119.064 0.03 . 1 . . . . . 72 MET N . 52001 2
41 . 1 . 1 73 73 ARG H H 1 7.979 0.01 . 1 . . . . . 73 ARG H . 52001 2
42 . 1 . 1 73 73 ARG N N 15 116.237 0.03 . 1 . . . . . 73 ARG N . 52001 2
43 . 1 . 1 74 74 THR H H 1 7.890 0.03 . 1 . . . . . 74 THR H . 52001 2
44 . 1 . 1 74 74 THR N N 15 108.433 0.02 . 1 . . . . . 74 THR N . 52001 2
45 . 1 . 1 75 75 GLY H H 1 7.975 0.00 . 1 . . . . . 75 GLY H . 52001 2
46 . 1 . 1 75 75 GLY N N 15 110.819 0.03 . 1 . . . . . 75 GLY N . 52001 2
47 . 1 . 1 103 103 VAL H H 1 8.122 0.01 . 1 . . . . . 103 VAL H . 52001 2
48 . 1 . 1 103 103 VAL N N 15 118.278 0.03 . 1 . . . . . 103 VAL N . 52001 2
49 . 1 . 1 119 119 ASP H H 1 8.742 0.00 . 1 . . . . . 119 ASP H . 52001 2
50 . 1 . 1 119 119 ASP N N 15 117.819 0.00 . 1 . . . . . 119 ASP N . 52001 2
51 . 1 . 1 145 145 SER H H 1 8.401 0.13 . 1 . . . . . 145 SER H . 52001 2
52 . 1 . 1 145 145 SER N N 15 111.843 0.23 . 1 . . . . . 145 SER N . 52001 2
53 . 1 . 1 146 146 ALA H H 1 9.162 0.00 . 1 . . . . . 146 ALA H . 52001 2
54 . 1 . 1 146 146 ALA N N 15 132.653 0.01 . 1 . . . . . 146 ALA N . 52001 2
55 . 1 . 1 147 147 LYS H H 1 7.178 0.00 . 1 . . . . . 147 LYS H . 52001 2
56 . 1 . 1 147 147 LYS N N 15 116.591 0.08 . 1 . . . . . 147 LYS N . 52001 2
57 . 1 . 1 152 152 VAL H H 1 7.426 0.01 . 1 . . . . . 152 VAL H . 52001 2
58 . 1 . 1 152 152 VAL N N 15 119.909 0.05 . 1 . . . . . 152 VAL N . 52001 2
59 . 1 . 1 155 155 ALA H H 1 8.078 0.01 . 1 . . . . . 155 ALA H . 52001 2
60 . 1 . 1 155 155 ALA N N 15 123.550 0.00 . 1 . . . . . 155 ALA N . 52001 2
61 . 1 . 1 158 158 THR H H 1 8.445 0.00 . 1 . . . . . 158 THR H . 52001 2
62 . 1 . 1 158 158 THR N N 15 117.207 0.03 . 1 . . . . . 158 THR N . 52001 2
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