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 51567
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name L3A_chemshifts
_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
1 '3D HNCO' . . . 51567 1
2 '3D HN(CA)CO' . . . 51567 1
3 '3D HN(CO)CA' . . . 51567 1
4 '3D HNCA' . . . 51567 1
5 '3D HN(CO)CACB' . . . 51567 1
6 '2D CACO' . . . 51567 1
7 '2D CON' . . . 51567 1
stop_
loop_
_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 . . 51567 1
2 $software_2 . . 51567 1
3 $software_3 . . 51567 1
4 $software_4 . . 51567 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 4 4 GLY C C 13 174.192 0.004 . 1 . . . . . 52 GLY C . 51567 1
2 . 1 . 1 4 4 GLY CA C 13 45.110 0.000 . 1 . . . . . 52 GLY CA . 51567 1
3 . 1 . 1 5 5 ALA H H 1 8.356 0.002 . 1 . . . . . 53 ALA H . 51567 1
4 . 1 . 1 5 5 ALA C C 13 178.662 0.007 . 1 . . . . . 53 ALA C . 51567 1
5 . 1 . 1 5 5 ALA CA C 13 53.196 0.000 . 1 . . . . . 53 ALA CA . 51567 1
6 . 1 . 1 5 5 ALA N N 15 123.993 0.000 . 1 . . . . . 53 ALA N . 51567 1
7 . 1 . 1 6 6 SER H H 1 8.565 0.000 . 1 . . . . . 54 SER H . 51567 1
8 . 1 . 1 6 6 SER C C 13 175.490 0.005 . 1 . . . . . 54 SER C . 51567 1
9 . 1 . 1 6 6 SER CA C 13 59.068 0.000 . 1 . . . . . 54 SER CA . 51567 1
10 . 1 . 1 6 6 SER N N 15 115.193 0.010 . 1 . . . . . 54 SER N . 51567 1
11 . 1 . 1 7 7 LEU H H 1 8.324 0.002 . 1 . . . . . 55 LEU H . 51567 1
12 . 1 . 1 7 7 LEU C C 13 178.025 0.009 . 1 . . . . . 55 LEU C . 51567 1
13 . 1 . 1 7 7 LEU CA C 13 56.142 0.000 . 1 . . . . . 55 LEU CA . 51567 1
14 . 1 . 1 7 7 LEU N N 15 125.182 0.007 . 1 . . . . . 55 LEU N . 51567 1
15 . 1 . 1 8 8 LEU H H 1 8.106 0.002 . 1 . . . . . 56 LEU H . 51567 1
16 . 1 . 1 8 8 LEU C C 13 178.345 0.006 . 1 . . . . . 56 LEU C . 51567 1
17 . 1 . 1 8 8 LEU CA C 13 56.174 0.000 . 1 . . . . . 56 LEU CA . 51567 1
18 . 1 . 1 8 8 LEU N N 15 121.532 0.013 . 1 . . . . . 56 LEU N . 51567 1
19 . 1 . 1 9 9 LEU H H 1 8.105 0.002 . 1 . . . . . 57 LEU H . 51567 1
20 . 1 . 1 9 9 LEU C C 13 178.299 0.007 . 1 . . . . . 57 LEU C . 51567 1
21 . 1 . 1 9 9 LEU CA C 13 56.346 0.000 . 1 . . . . . 57 LEU CA . 51567 1
22 . 1 . 1 9 9 LEU N N 15 121.769 0.011 . 1 . . . . . 57 LEU N . 51567 1
23 . 1 . 1 10 10 ALA H H 1 8.190 0.002 . 1 . . . . . 58 ALA H . 51567 1
24 . 1 . 1 10 10 ALA C C 13 179.476 0.008 . 1 . . . . . 58 ALA C . 51567 1
25 . 1 . 1 10 10 ALA CA C 13 53.918 0.000 . 1 . . . . . 58 ALA CA . 51567 1
26 . 1 . 1 10 10 ALA N N 15 122.908 0.002 . 1 . . . . . 58 ALA N . 51567 1
27 . 1 . 1 11 11 GLN H H 1 8.290 0.002 . 1 . . . . . 59 GLN H . 51567 1
28 . 1 . 1 11 11 GLN C C 13 177.653 0.005 . 1 . . . . . 59 GLN C . 51567 1
29 . 1 . 1 11 11 GLN CA C 13 57.424 0.000 . 1 . . . . . 59 GLN CA . 51567 1
30 . 1 . 1 11 11 GLN N N 15 118.704 0.008 . 1 . . . . . 59 GLN N . 51567 1
31 . 1 . 1 12 12 GLN H H 1 8.376 0.001 . 1 . . . . . 60 GLN H . 51567 1
32 . 1 . 1 12 12 GLN C C 13 177.647 0.004 . 1 . . . . . 60 GLN C . 51567 1
33 . 1 . 1 12 12 GLN CA C 13 57.406 0.000 . 1 . . . . . 60 GLN CA . 51567 1
34 . 1 . 1 12 12 GLN N N 15 120.762 0.013 . 1 . . . . . 60 GLN N . 51567 1
35 . 1 . 1 13 13 GLN H H 1 8.461 0.002 . 1 . . . . . 61 GLN H . 51567 1
36 . 1 . 1 13 13 GLN C C 13 177.456 0.006 . 1 . . . . . 61 GLN C . 51567 1
37 . 1 . 1 13 13 GLN CA C 13 57.354 0.000 . 1 . . . . . 61 GLN CA . 51567 1
38 . 1 . 1 13 13 GLN N N 15 120.380 0.012 . 1 . . . . . 61 GLN N . 51567 1
39 . 1 . 1 14 14 GLN H H 1 8.332 0.002 . 1 . . . . . 62 GLN H . 51567 1
40 . 1 . 1 14 14 GLN C C 13 177.346 0.004 . 1 . . . . . 62 GLN C . 51567 1
41 . 1 . 1 14 14 GLN CA C 13 57.283 0.000 . 1 . . . . . 62 GLN CA . 51567 1
42 . 1 . 1 14 14 GLN N N 15 120.696 0.005 . 1 . . . . . 62 GLN N . 51567 1
43 . 1 . 1 15 15 GLN H H 1 8.377 0.000 . 1 . . . . . 63 GLN H . 51567 1
44 . 1 . 1 15 15 GLN C C 13 177.331 0.000 . 1 . . . . . 63 GLN C . 51567 1
45 . 1 . 1 15 15 GLN CA C 13 57.268 0.000 . 1 . . . . . 63 GLN CA . 51567 1
46 . 1 . 1 15 15 GLN N N 15 120.577 0.006 . 1 . . . . . 63 GLN N . 51567 1
47 . 1 . 1 16 16 GLN H H 1 8.382 0.000 . 1 . . . . . 64 GLN H . 51567 1
48 . 1 . 1 16 16 GLN C C 13 177.287 0.008 . 1 . . . . . 64 GLN C . 51567 1
49 . 1 . 1 16 16 GLN CA C 13 57.202 0.000 . 1 . . . . . 64 GLN CA . 51567 1
50 . 1 . 1 16 16 GLN N N 15 120.611 0.006 . 1 . . . . . 64 GLN N . 51567 1
51 . 1 . 1 17 17 GLN H H 1 8.388 0.000 . 1 . . . . . 65 GLN H . 51567 1
52 . 1 . 1 17 17 GLN C C 13 177.237 0.005 . 1 . . . . . 65 GLN C . 51567 1
53 . 1 . 1 17 17 GLN CA C 13 57.143 0.000 . 1 . . . . . 65 GLN CA . 51567 1
54 . 1 . 1 17 17 GLN N N 15 120.671 0.001 . 1 . . . . . 65 GLN N . 51567 1
55 . 1 . 1 18 18 GLN H H 1 8.406 0.002 . 1 . . . . . 66 GLN H . 51567 1
56 . 1 . 1 18 18 GLN C C 13 177.157 0.011 . 1 . . . . . 66 GLN C . 51567 1
57 . 1 . 1 18 18 GLN CA C 13 57.022 0.000 . 1 . . . . . 66 GLN CA . 51567 1
58 . 1 . 1 18 18 GLN N N 15 120.674 0.001 . 1 . . . . . 66 GLN N . 51567 1
59 . 1 . 1 19 19 GLN H H 1 8.408 0.001 . 1 . . . . . 67 GLN H . 51567 1
60 . 1 . 1 19 19 GLN C C 13 177.068 0.005 . 1 . . . . . 67 GLN C . 51567 1
61 . 1 . 1 19 19 GLN CA C 13 56.932 0.000 . 1 . . . . . 67 GLN CA . 51567 1
62 . 1 . 1 19 19 GLN N N 15 120.715 0.001 . 1 . . . . . 67 GLN N . 51567 1
63 . 1 . 1 20 20 GLN H H 1 8.414 0.000 . 1 . . . . . 68 GLN H . 51567 1
64 . 1 . 1 20 20 GLN C C 13 176.986 0.007 . 1 . . . . . 68 GLN C . 51567 1
65 . 1 . 1 20 20 GLN CA C 13 56.836 0.000 . 1 . . . . . 68 GLN CA . 51567 1
66 . 1 . 1 20 20 GLN N N 15 120.737 0.002 . 1 . . . . . 68 GLN N . 51567 1
67 . 1 . 1 21 21 GLN H H 1 8.419 0.000 . 1 . . . . . 69 GLN H . 51567 1
68 . 1 . 1 21 21 GLN C C 13 176.880 0.006 . 1 . . . . . 69 GLN C . 51567 1
69 . 1 . 1 21 21 GLN CA C 13 56.713 0.000 . 1 . . . . . 69 GLN CA . 51567 1
70 . 1 . 1 21 21 GLN N N 15 120.767 0.001 . 1 . . . . . 69 GLN N . 51567 1
71 . 1 . 1 22 22 GLN H H 1 8.427 0.001 . 1 . . . . . 70 GLN H . 51567 1
72 . 1 . 1 22 22 GLN C C 13 176.780 0.004 . 1 . . . . . 70 GLN C . 51567 1
73 . 1 . 1 22 22 GLN CA C 13 56.575 0.000 . 1 . . . . . 70 GLN CA . 51567 1
74 . 1 . 1 22 22 GLN N N 15 120.813 0.001 . 1 . . . . . 70 GLN N . 51567 1
75 . 1 . 1 23 23 GLN H H 1 8.439 0.002 . 1 . . . . . 71 GLN H . 51567 1
76 . 1 . 1 23 23 GLN C C 13 176.632 0.008 . 1 . . . . . 71 GLN C . 51567 1
77 . 1 . 1 23 23 GLN CA C 13 56.410 0.000 . 1 . . . . . 71 GLN CA . 51567 1
78 . 1 . 1 23 23 GLN N N 15 120.859 0.005 . 1 . . . . . 71 GLN N . 51567 1
79 . 1 . 1 24 24 GLN H H 1 8.447 0.003 . 1 . . . . . 72 GLN H . 51567 1
80 . 1 . 1 24 24 GLN C C 13 176.371 0.005 . 1 . . . . . 72 GLN C . 51567 1
81 . 1 . 1 24 24 GLN CA C 13 56.166 0.000 . 1 . . . . . 72 GLN CA . 51567 1
82 . 1 . 1 24 24 GLN N N 15 120.957 0.009 . 1 . . . . . 72 GLN N . 51567 1
83 . 1 . 1 25 25 GLN H H 1 8.452 0.002 . 1 . . . . . 73 GLN H . 51567 1
84 . 1 . 1 25 25 GLN C C 13 176.096 0.004 . 1 . . . . . 73 GLN C . 51567 1
85 . 1 . 1 25 25 GLN CA C 13 55.932 0.000 . 1 . . . . . 73 GLN CA . 51567 1
86 . 1 . 1 25 25 GLN N N 15 121.125 0.009 . 1 . . . . . 73 GLN N . 51567 1
87 . 1 . 1 26 26 GLN H H 1 8.461 0.002 . 1 . . . . . 74 GLN H . 51567 1
88 . 1 . 1 26 26 GLN C C 13 175.854 0.004 . 1 . . . . . 74 GLN C . 51567 1
89 . 1 . 1 26 26 GLN CA C 13 55.721 0.000 . 1 . . . . . 74 GLN CA . 51567 1
90 . 1 . 1 26 26 GLN N N 15 121.711 0.011 . 1 . . . . . 74 GLN N . 51567 1
91 . 1 . 1 27 27 LYS H H 1 8.438 0.002 . 1 . . . . . 75 LYS H . 51567 1
92 . 1 . 1 27 27 LYS C C 13 176.006 0.005 . 1 . . . . . 75 LYS C . 51567 1
93 . 1 . 1 27 27 LYS CA C 13 56.276 0.000 . 1 . . . . . 75 LYS CA . 51567 1
94 . 1 . 1 27 27 LYS N N 15 123.662 0.013 . 1 . . . . . 75 LYS N . 51567 1
95 . 1 . 1 28 28 LYS H H 1 8.423 0.002 . 1 . . . . . 76 LYS H . 51567 1
96 . 1 . 1 28 28 LYS C C 13 175.192 0.009 . 1 . . . . . 76 LYS C . 51567 1
97 . 1 . 1 28 28 LYS CA C 13 55.997 0.000 . 1 . . . . . 76 LYS CA . 51567 1
98 . 1 . 1 28 28 LYS N N 15 123.845 0.012 . 1 . . . . . 76 LYS N . 51567 1
stop_
save_