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 51812
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name shifts_37-57
_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
6 '3D HNCACB' . . . 51812 1
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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
2 $software_2 . . 51812 1
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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 2 2 ALA CA C 13 52.651 0.000 . 1 . . . . . 34 ALA CA . 51812 1
2 . 1 . 1 2 2 ALA CB C 13 19.508 0.000 . 1 . . . . . 34 ALA CB . 51812 1
3 . 1 . 1 3 3 MET H H 1 8.368 0.004 . 1 . . . . . 35 MET H . 51812 1
4 . 1 . 1 3 3 MET CA C 13 55.481 0.000 . 1 . . . . . 35 MET CA . 51812 1
5 . 1 . 1 3 3 MET CB C 13 33.225 0.000 . 1 . . . . . 35 MET CB . 51812 1
6 . 1 . 1 3 3 MET N N 15 119.815 0.049 . 1 . . . . . 35 MET N . 51812 1
7 . 1 . 1 4 4 ALA H H 1 8.277 0.001 . 1 . . . . . 36 ALA H . 51812 1
8 . 1 . 1 4 4 ALA CA C 13 52.572 0.000 . 1 . . . . . 36 ALA CA . 51812 1
9 . 1 . 1 4 4 ALA CB C 13 19.29 0.000 . 1 . . . . . 36 ALA CB . 51812 1
10 . 1 . 1 4 4 ALA N N 15 126.002 0.004 . 1 . . . . . 36 ALA N . 51812 1
11 . 1 . 1 5 5 ILE H H 1 8.055 0.000 . 1 . . . . . 37 ILE H . 51812 1
12 . 1 . 1 5 5 ILE CA C 13 60.979 0.000 . 1 . . . . . 37 ILE CA . 51812 1
13 . 1 . 1 5 5 ILE CB C 13 39.114 0.000 . 1 . . . . . 37 ILE CB . 51812 1
14 . 1 . 1 5 5 ILE N N 15 120.272 0.019 . 1 . . . . . 37 ILE N . 51812 1
15 . 1 . 1 6 6 SER H H 1 8.347 0.001 . 1 . . . . . 38 SER H . 51812 1
16 . 1 . 1 6 6 SER CA C 13 57.754 0.000 . 1 . . . . . 38 SER CA . 51812 1
17 . 1 . 1 6 6 SER CB C 13 63.844 0.000 . 1 . . . . . 38 SER CB . 51812 1
18 . 1 . 1 6 6 SER N N 15 119.902 0.012 . 1 . . . . . 38 SER N . 51812 1
19 . 1 . 1 7 7 LEU H H 1 8.38 0.001 . 1 . . . . . 39 LEU H . 51812 1
20 . 1 . 1 7 7 LEU CA C 13 55.43 0.000 . 1 . . . . . 39 LEU CA . 51812 1
21 . 1 . 1 7 7 LEU CB C 13 42.177 0.000 . 1 . . . . . 39 LEU CB . 51812 1
22 . 1 . 1 7 7 LEU N N 15 125.168 0.004 . 1 . . . . . 39 LEU N . 51812 1
23 . 1 . 1 8 8 GLU H H 1 8.405 0.001 . 1 . . . . . 40 GLU H . 51812 1
24 . 1 . 1 8 8 GLU CA C 13 56.687 0.000 . 1 . . . . . 40 GLU CA . 51812 1
25 . 1 . 1 8 8 GLU CB C 13 30.443 0.000 . 1 . . . . . 40 GLU CB . 51812 1
26 . 1 . 1 8 8 GLU N N 15 121.661 0.005 . 1 . . . . . 40 GLU N . 51812 1
27 . 1 . 1 9 9 ASP H H 1 8.16 0.002 . 1 . . . . . 41 ASP H . 51812 1
28 . 1 . 1 9 9 ASP CA C 13 54.403 0.000 . 1 . . . . . 41 ASP CA . 51812 1
29 . 1 . 1 9 9 ASP CB C 13 41.35 0.000 . 1 . . . . . 41 ASP CB . 51812 1
30 . 1 . 1 9 9 ASP N N 15 120.907 0.029 . 1 . . . . . 41 ASP N . 51812 1
31 . 1 . 1 10 10 SER H H 1 8.117 0.001 . 1 . . . . . 42 SER H . 51812 1
32 . 1 . 1 10 10 SER CA C 13 56.116 0.000 . 1 . . . . . 42 SER CA . 51812 1
33 . 1 . 1 10 10 SER CB C 13 63.701 0.000 . 1 . . . . . 42 SER CB . 51812 1
34 . 1 . 1 10 10 SER N N 15 116.774 0.008 . 1 . . . . . 42 SER N . 51812 1
35 . 1 . 1 11 11 PRO CA C 13 63.651 0.000 . 1 . . . . . 43 PRO CA . 51812 1
36 . 1 . 1 11 11 PRO CB C 13 32.116 0.000 . 1 . . . . . 43 PRO CB . 51812 1
37 . 1 . 1 12 12 GLU H H 1 8.427 0.003 . 1 . . . . . 44 GLU H . 51812 1
38 . 1 . 1 12 12 GLU CA C 13 56.775 0.000 . 1 . . . . . 44 GLU CA . 51812 1
39 . 1 . 1 12 12 GLU CB C 13 30.053 0.000 . 1 . . . . . 44 GLU CB . 51812 1
40 . 1 . 1 12 12 GLU N N 15 120.559 0.051 . 1 . . . . . 44 GLU N . 51812 1
41 . 1 . 1 13 13 ALA H H 1 8.207 0.001 . 1 . . . . . 45 ALA H . 51812 1
42 . 1 . 1 13 13 ALA CA C 13 52.814 0.000 . 1 . . . . . 45 ALA CA . 51812 1
43 . 1 . 1 13 13 ALA CB C 13 19.325 0.000 . 1 . . . . . 45 ALA CB . 51812 1
44 . 1 . 1 13 13 ALA N N 15 125.18 0.003 . 1 . . . . . 45 ALA N . 51812 1
45 . 1 . 1 14 14 GLY H H 1 8.361 0.000 . 1 . . . . . 46 GLY H . 51812 1
46 . 1 . 1 14 14 GLY CA C 13 45.341 0.000 . 1 . . . . . 46 GLY CA . 51812 1
47 . 1 . 1 14 14 GLY N N 15 108.365 0.000 . 1 . . . . . 46 GLY N . 51812 1
48 . 1 . 1 15 15 GLY H H 1 8.236 0.000 . 1 . . . . . 47 GLY H . 51812 1
49 . 1 . 1 15 15 GLY CA C 13 45.214 0.000 . 1 . . . . . 47 GLY CA . 51812 1
50 . 1 . 1 15 15 GLY N N 15 108.838 0.000 . 1 . . . . . 47 GLY N . 51812 1
51 . 1 . 1 16 16 GLU H H 1 8.449 0.001 . 1 . . . . . 48 GLU H . 51812 1
52 . 1 . 1 16 16 GLU CA C 13 57.423 0.000 . 1 . . . . . 48 GLU CA . 51812 1
53 . 1 . 1 16 16 GLU CB C 13 30.166 0.000 . 1 . . . . . 48 GLU CB . 51812 1
54 . 1 . 1 16 16 GLU N N 15 120.873 0.000 . 1 . . . . . 48 GLU N . 51812 1
55 . 1 . 1 19 19 GLU H H 1 8.284 0.002 . 1 . . . . . 51 GLU H . 51812 1
56 . 1 . 1 19 19 GLU CA C 13 56.6 0.000 . 1 . . . . . 51 GLU CA . 51812 1
57 . 1 . 1 19 19 GLU CB C 13 30.283 0.000 . 1 . . . . . 51 GLU CB . 51812 1
58 . 1 . 1 19 19 GLU N N 15 120.58 0.006 . 1 . . . . . 51 GLU N . 51812 1
59 . 1 . 1 20 20 GLU H H 1 8.155 0.001 . 1 . . . . . 52 GLU H . 51812 1
60 . 1 . 1 20 20 GLU CA C 13 58.709 0.000 . 1 . . . . . 52 GLU CA . 51812 1
61 . 1 . 1 20 20 GLU CB C 13 29.449 0.000 . 1 . . . . . 52 GLU CB . 51812 1
62 . 1 . 1 20 20 GLU N N 15 120.387 0.000 . 1 . . . . . 52 GLU N . 51812 1
63 . 1 . 1 21 21 GLN H H 1 8.253 0.003 . 1 . . . . . 53 GLN H . 51812 1
64 . 1 . 1 21 21 GLN HE21 H 1 7.595 0.000 . 1 . . . . . 53 GLN HE21 . 51812 1
65 . 1 . 1 21 21 GLN HE22 H 1 6.814 0.000 . 1 . . . . . 53 GLN HE22 . 51812 1
66 . 1 . 1 21 21 GLN CA C 13 58.093 0.000 . 1 . . . . . 53 GLN CA . 51812 1
67 . 1 . 1 21 21 GLN CB C 13 29.18 0.000 . 1 . . . . . 53 GLN CB . 51812 1
68 . 1 . 1 21 21 GLN N N 15 119.899 0.017 . 1 . . . . . 53 GLN N . 51812 1
69 . 1 . 1 21 21 GLN NE2 N 15 112.368 0.000 . 1 . . . . . 53 GLN NE2 . 51812 1
70 . 1 . 1 22 22 GLU H H 1 8.113 0.004 . 1 . . . . . 54 GLU H . 51812 1
71 . 1 . 1 22 22 GLU CA C 13 59.242 0.000 . 1 . . . . . 54 GLU CA . 51812 1
72 . 1 . 1 22 22 GLU CB C 13 29.408 0.000 . 1 . . . . . 54 GLU CB . 51812 1
73 . 1 . 1 22 22 GLU N N 15 121.474 0.018 . 1 . . . . . 54 GLU N . 51812 1
74 . 1 . 1 24 24 GLU H H 1 7.928 0.002 . 1 . . . . . 56 GLU H . 51812 1
75 . 1 . 1 24 24 GLU CA C 13 58.793 0.000 . 1 . . . . . 56 GLU CA . 51812 1
76 . 1 . 1 24 24 GLU CB C 13 30.081 0.000 . 1 . . . . . 56 GLU CB . 51812 1
77 . 1 . 1 24 24 GLU N N 15 119.647 0.008 . 1 . . . . . 56 GLU N . 51812 1
78 . 1 . 1 25 25 GLU H H 1 8.154 0.001 . 1 . . . . . 57 GLU H . 51812 1
79 . 1 . 1 25 25 GLU CA C 13 58.592 0.000 . 1 . . . . . 57 GLU CA . 51812 1
80 . 1 . 1 25 25 GLU CB C 13 29.56 0.000 . 1 . . . . . 57 GLU CB . 51812 1
81 . 1 . 1 25 25 GLU N N 15 120.517 0.105 . 1 . . . . . 57 GLU N . 51812 1
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