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 51141
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name H3-145-pH6-25KCl_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 $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 .
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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 TROSY' . . . 51141 2
2 '3D HNCA' . . . 51141 2
3 '3D HNCO' . . . 51141 2
4 '3D HN(CA)CO' . . . 51141 2
5 '3D HNCACB' . . . 51141 2
6 '3D HN(CO)CACB' . . . 51141 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 . . 51141 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 1 1 ALA C C 13 173.734 0.000 . 1 . . . . . 1 ALA C . 51141 2
2 . 1 . 1 1 1 ALA CA C 13 51.344 0.056 . 1 . . . . . 1 ALA CA . 51141 2
3 . 1 . 1 1 1 ALA CB C 13 18.934 0.030 . 1 . . . . . 1 ALA CB . 51141 2
4 . 1 . 1 2 2 ARG H H 1 8.779 0.004 . 1 . . . . . 2 ARG H . 51141 2
5 . 1 . 1 2 2 ARG C C 13 176.47 0.001 . 1 . . . . . 2 ARG C . 51141 2
6 . 1 . 1 2 2 ARG CA C 13 55.919 0.027 . 1 . . . . . 2 ARG CA . 51141 2
7 . 1 . 1 2 2 ARG CB C 13 29.933 0.036 . 1 . . . . . 2 ARG CB . 51141 2
8 . 1 . 1 2 2 ARG N N 15 121.075 0.022 . 1 . . . . . 2 ARG N . 51141 2
9 . 1 . 1 3 3 THR H H 1 8.372 0.002 . 1 . . . . . 3 THR H . 51141 2
10 . 1 . 1 3 3 THR C C 13 174.573 0.000 . 1 . . . . . 3 THR C . 51141 2
11 . 1 . 1 3 3 THR CA C 13 61.504 0.017 . 1 . . . . . 3 THR CA . 51141 2
12 . 1 . 1 3 3 THR CB C 13 69.533 0.000 . 1 . . . . . 3 THR CB . 51141 2
13 . 1 . 1 3 3 THR N N 15 117.015 0.044 . 1 . . . . . 3 THR N . 51141 2
14 . 1 . 1 5 5 GLN H H 1 8.607 0.000 . 1 . . . . . 5 GLN H . 51141 2
15 . 1 . 1 5 5 GLN N N 15 122.428 0.000 . 1 . . . . . 5 GLN N . 51141 2
16 . 1 . 1 6 6 THR H H 1 8.124 0.005 . 1 . . . . . 6 THR H . 51141 2
17 . 1 . 1 6 6 THR CA C 13 61.609 0.000 . 1 . . . . . 6 THR CA . 51141 2
18 . 1 . 1 6 6 THR N N 15 115.611 0.098 . 1 . . . . . 6 THR N . 51141 2
19 . 1 . 1 14 14 LYS C C 13 176.274 0.000 . 1 . . . . . 14 LYS C . 51141 2
20 . 1 . 1 14 14 LYS CA C 13 55.566 0.198 . 1 . . . . . 14 LYS CA . 51141 2
21 . 1 . 1 14 14 LYS CB C 13 32.702 0.000 . 1 . . . . . 14 LYS CB . 51141 2
22 . 1 . 1 15 15 ALA H H 1 8.434 0.003 . 1 . . . . . 15 ALA H . 51141 2
23 . 1 . 1 15 15 ALA C C 13 175.528 0.000 . 1 . . . . . 15 ALA C . 51141 2
24 . 1 . 1 15 15 ALA CA C 13 50.312 0.044 . 1 . . . . . 15 ALA CA . 51141 2
25 . 1 . 1 15 15 ALA CB C 13 17.234 0.000 . 1 . . . . . 15 ALA CB . 51141 2
26 . 1 . 1 15 15 ALA N N 15 127.177 0.031 . 1 . . . . . 15 ALA N . 51141 2
27 . 1 . 1 16 16 PRO C C 13 177.177 0.000 . 1 . . . . . 16 PRO C . 51141 2
28 . 1 . 1 16 16 PRO CA C 13 62.645 0.039 . 1 . . . . . 16 PRO CA . 51141 2
29 . 1 . 1 16 16 PRO CB C 13 31.356 0.000 . 1 . . . . . 16 PRO CB . 51141 2
30 . 1 . 1 17 17 ARG H H 1 8.485 0.004 . 1 . . . . . 17 ARG H . 51141 2
31 . 1 . 1 17 17 ARG C C 13 176.877 0.000 . 1 . . . . . 17 ARG C . 51141 2
32 . 1 . 1 17 17 ARG CA C 13 56.101 0.217 . 1 . . . . . 17 ARG CA . 51141 2
33 . 1 . 1 17 17 ARG CB C 13 29.735 0.000 . 1 . . . . . 17 ARG CB . 51141 2
34 . 1 . 1 17 17 ARG N N 15 121.857 0.039 . 1 . . . . . 17 ARG N . 51141 2
35 . 1 . 1 18 18 LYS C C 13 176.805 0.000 . 1 . . . . . 18 LYS C . 51141 2
36 . 1 . 1 19 19 GLN H H 1 8.423 0.002 . 1 . . . . . 19 GLN H . 51141 2
37 . 1 . 1 19 19 GLN CA C 13 55.936 0.000 . 1 . . . . . 19 GLN CA . 51141 2
38 . 1 . 1 19 19 GLN CB C 13 28.649 0.000 . 1 . . . . . 19 GLN CB . 51141 2
39 . 1 . 1 19 19 GLN N N 15 121.761 0.014 . 1 . . . . . 19 GLN N . 51141 2
40 . 1 . 1 26 26 ARG C C 13 176.854 0.074 . 1 . . . . . 26 ARG C . 51141 2
41 . 1 . 1 26 26 ARG CA C 13 56.249 0.000 . 1 . . . . . 26 ARG CA . 51141 2
42 . 1 . 1 26 26 ARG CB C 13 29.679 0.047 . 1 . . . . . 26 ARG CB . 51141 2
43 . 1 . 1 27 27 LYS H H 1 8.259 0.002 . 1 . . . . . 27 LYS H . 51141 2
44 . 1 . 1 27 27 LYS CA C 13 56.232 0.238 . 1 . . . . . 27 LYS CA . 51141 2
45 . 1 . 1 27 27 LYS CB C 13 32.099 0.000 . 1 . . . . . 27 LYS CB . 51141 2
46 . 1 . 1 27 27 LYS N N 15 122.222 0.057 . 1 . . . . . 27 LYS N . 51141 2
47 . 1 . 1 31 31 ALA C C 13 178.172 0.000 . 1 . . . . . 31 ALA C . 51141 2
48 . 1 . 1 31 31 ALA CA C 13 52.576 0.011 . 1 . . . . . 31 ALA CA . 51141 2
49 . 1 . 1 31 31 ALA CB C 13 18.402 0.000 . 1 . . . . . 31 ALA CB . 51141 2
50 . 1 . 1 32 32 THR H H 1 8.126 0.002 . 1 . . . . . 32 THR H . 51141 2
51 . 1 . 1 32 32 THR C C 13 175.319 0.000 . 1 . . . . . 32 THR C . 51141 2
52 . 1 . 1 32 32 THR CA C 13 61.35 0.043 . 1 . . . . . 32 THR CA . 51141 2
53 . 1 . 1 32 32 THR CB C 13 69.483 0.000 . 1 . . . . . 32 THR CB . 51141 2
54 . 1 . 1 32 32 THR N N 15 113.061 0.067 . 1 . . . . . 32 THR N . 51141 2
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