Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 27038
_Assigned_chem_shift_list.ID 1
_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 .
_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' . . . 27038 1
3 '2D 1H-13C HSQC CT aliphatic' . . . 27038 1
5 '3D 1H-15N NOESY' . . . 27038 1
7 '3D CBCA(CO)NH' . . . 27038 1
8 '3D HNCACB' . . . 27038 1
9 '3D HBHA(CO)NH' . . . 27038 1
10 '3D HNCO' . . . 27038 1
11 '3D HNCA' . . . 27038 1
12 '3D HN(CO)CA' . . . 27038 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
3 $SPARKY . . 27038 1
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 8 8 ALA H H 1 8.05 0.02 . 1 . . . . 517 ALA H . 27038 1
2 . 1 1 8 8 ALA HA H 1 4.14 0.02 . 1 . . . . 517 ALA HA . 27038 1
3 . 1 1 8 8 ALA HB1 H 1 1.52 0.02 . 1 . . . . 517 ALA MB . 27038 1
4 . 1 1 8 8 ALA HB2 H 1 1.52 0.02 . 1 . . . . 517 ALA MB . 27038 1
5 . 1 1 8 8 ALA HB3 H 1 1.52 0.02 . 1 . . . . 517 ALA MB . 27038 1
6 . 1 1 8 8 ALA C C 13 179.4 0.2 . 1 . . . . 517 ALA C . 27038 1
7 . 1 1 8 8 ALA CA C 13 54.5 0.2 . 1 . . . . 517 ALA CA . 27038 1
8 . 1 1 8 8 ALA CB C 13 18.0 0.2 . 1 . . . . 517 ALA CB . 27038 1
9 . 1 1 8 8 ALA N N 15 120.6 0.2 . 1 . . . . 517 ALA N . 27038 1
10 . 1 1 28 28 ALA H H 1 6.95 0.02 . 1 . . . . 537 ALA H . 27038 1
11 . 1 1 28 28 ALA HA H 1 5.12 0.02 . 1 . . . . 537 ALA HA . 27038 1
12 . 1 1 28 28 ALA HB1 H 1 1.26 0.02 . 1 . . . . 537 ALA MB . 27038 1
13 . 1 1 28 28 ALA HB2 H 1 1.26 0.02 . 1 . . . . 537 ALA MB . 27038 1
14 . 1 1 28 28 ALA HB3 H 1 1.26 0.02 . 1 . . . . 537 ALA MB . 27038 1
15 . 1 1 28 28 ALA C C 13 175.3 0.2 . 1 . . . . 537 ALA C . 27038 1
16 . 1 1 28 28 ALA CA C 13 51.0 0.2 . 1 . . . . 537 ALA CA . 27038 1
17 . 1 1 28 28 ALA CB C 13 23.6 0.2 . 1 . . . . 537 ALA CB . 27038 1
18 . 1 1 28 28 ALA N N 15 116.9 0.2 . 1 . . . . 537 ALA N . 27038 1
19 . 1 1 34 34 ALA H H 1 8.28 0.02 . 1 . . . . 543 ALA H . 27038 1
20 . 1 1 34 34 ALA HA H 1 4.24 0.02 . 1 . . . . 543 ALA HA . 27038 1
21 . 1 1 34 34 ALA HB1 H 1 1.39 0.02 . 1 . . . . 543 ALA MB . 27038 1
22 . 1 1 34 34 ALA HB2 H 1 1.39 0.02 . 1 . . . . 543 ALA MB . 27038 1
23 . 1 1 34 34 ALA HB3 H 1 1.39 0.02 . 1 . . . . 543 ALA MB . 27038 1
24 . 1 1 34 34 ALA C C 13 177.8 0.2 . 1 . . . . 543 ALA C . 27038 1
25 . 1 1 34 34 ALA CA C 13 53.3 0.2 . 1 . . . . 543 ALA CA . 27038 1
26 . 1 1 34 34 ALA CB C 13 19.1 0.2 . 1 . . . . 543 ALA CB . 27038 1
27 . 1 1 34 34 ALA N N 15 124.9 0.2 . 1 . . . . 543 ALA N . 27038 1
28 . 1 1 42 42 ALA H H 1 8.08 0.02 . 1 . . . . 551 ALA H . 27038 1
29 . 1 1 42 42 ALA HA H 1 4.18 0.02 . 1 . . . . 551 ALA HA . 27038 1
30 . 1 1 42 42 ALA HB1 H 1 1.48 0.02 . 1 . . . . 551 ALA MB . 27038 1
31 . 1 1 42 42 ALA HB2 H 1 1.48 0.02 . 1 . . . . 551 ALA MB . 27038 1
32 . 1 1 42 42 ALA HB3 H 1 1.48 0.02 . 1 . . . . 551 ALA MB . 27038 1
33 . 1 1 42 42 ALA C C 13 179.5 0.2 . 1 . . . . 551 ALA C . 27038 1
34 . 1 1 42 42 ALA CA C 13 54.6 0.2 . 1 . . . . 551 ALA CA . 27038 1
35 . 1 1 42 42 ALA CB C 13 18.4 0.2 . 1 . . . . 551 ALA CB . 27038 1
36 . 1 1 42 42 ALA N N 15 122.2 0.2 . 1 . . . . 551 ALA N . 27038 1
37 . 1 1 46 46 ALA H H 1 8.02 0.02 . 1 . . . . 555 ALA H . 27038 1
38 . 1 1 46 46 ALA HA H 1 4.30 0.02 . 1 . . . . 555 ALA HA . 27038 1
39 . 1 1 46 46 ALA HB1 H 1 1.46 0.02 . 1 . . . . 555 ALA MB . 27038 1
40 . 1 1 46 46 ALA HB2 H 1 1.46 0.02 . 1 . . . . 555 ALA MB . 27038 1
41 . 1 1 46 46 ALA HB3 H 1 1.46 0.02 . 1 . . . . 555 ALA MB . 27038 1
42 . 1 1 46 46 ALA C C 13 179.3 0.2 . 1 . . . . 555 ALA C . 27038 1
43 . 1 1 46 46 ALA CA C 13 53.7 0.2 . 1 . . . . 555 ALA CA . 27038 1
44 . 1 1 46 46 ALA CB C 13 18.7 0.2 . 1 . . . . 555 ALA CB . 27038 1
45 . 1 1 46 46 ALA N N 15 123.0 0.2 . 1 . . . . 555 ALA N . 27038 1
46 . 1 1 47 47 ALA H H 1 8.00 0.02 . 1 . . . . 556 ALA H . 27038 1
47 . 1 1 47 47 ALA HA H 1 4.26 0.02 . 1 . . . . 556 ALA HA . 27038 1
48 . 1 1 47 47 ALA HB1 H 1 1.47 0.02 . 1 . . . . 556 ALA MB . 27038 1
49 . 1 1 47 47 ALA HB2 H 1 1.47 0.02 . 1 . . . . 556 ALA MB . 27038 1
50 . 1 1 47 47 ALA HB3 H 1 1.47 0.02 . 1 . . . . 556 ALA MB . 27038 1
51 . 1 1 47 47 ALA C C 13 178.0 0.2 . 1 . . . . 556 ALA C . 27038 1
52 . 1 1 47 47 ALA CA C 13 53.3 0.2 . 1 . . . . 556 ALA CA . 27038 1
53 . 1 1 47 47 ALA CB C 13 18.7 0.2 . 1 . . . . 556 ALA CB . 27038 1
54 . 1 1 47 47 ALA N N 15 122.1 0.2 . 1 . . . . 556 ALA N . 27038 1
55 . 1 1 48 48 ALA H H 1 7.84 0.02 . 1 . . . . 557 ALA H . 27038 1
56 . 1 1 48 48 ALA HA H 1 4.37 0.02 . 1 . . . . 557 ALA HA . 27038 1
57 . 1 1 48 48 ALA HB1 H 1 1.46 0.02 . 1 . . . . 557 ALA MB . 27038 1
58 . 1 1 48 48 ALA HB2 H 1 1.46 0.02 . 1 . . . . 557 ALA MB . 27038 1
59 . 1 1 48 48 ALA HB3 H 1 1.46 0.02 . 1 . . . . 557 ALA MB . 27038 1
60 . 1 1 48 48 ALA C C 13 178.2 0.2 . 1 . . . . 557 ALA C . 27038 1
61 . 1 1 48 48 ALA CA C 13 52.5 0.2 . 1 . . . . 557 ALA CA . 27038 1
62 . 1 1 48 48 ALA CB C 13 18.9 0.2 . 1 . . . . 557 ALA CB . 27038 1
63 . 1 1 48 48 ALA N N 15 120.8 0.2 . 1 . . . . 557 ALA N . 27038 1
64 . 1 1 71 71 ALA H H 1 7.27 0.02 . 1 . . . . 580 ALA H . 27038 1
65 . 1 1 71 71 ALA HA H 1 3.64 0.02 . 1 . . . . 580 ALA HA . 27038 1
66 . 1 1 71 71 ALA HB1 H 1 1.31 0.02 . 1 . . . . 580 ALA MB . 27038 1
67 . 1 1 71 71 ALA HB2 H 1 1.31 0.02 . 1 . . . . 580 ALA MB . 27038 1
68 . 1 1 71 71 ALA HB3 H 1 1.31 0.02 . 1 . . . . 580 ALA MB . 27038 1
69 . 1 1 71 71 ALA C C 13 178.8 0.2 . 1 . . . . 580 ALA C . 27038 1
70 . 1 1 71 71 ALA CA C 13 55.7 0.2 . 1 . . . . 580 ALA CA . 27038 1
71 . 1 1 71 71 ALA CB C 13 17.3 0.2 . 1 . . . . 580 ALA CB . 27038 1
72 . 1 1 71 71 ALA N N 15 122.1 0.2 . 1 . . . . 580 ALA N . 27038 1
73 . 1 1 72 72 ALA H H 1 8.20 0.02 . 1 . . . . 581 ALA H . 27038 1
74 . 1 1 72 72 ALA HA H 1 3.93 0.02 . 1 . . . . 581 ALA HA . 27038 1
75 . 1 1 72 72 ALA HB1 H 1 0.68 0.02 . 1 . . . . 581 ALA MB . 27038 1
76 . 1 1 72 72 ALA HB2 H 1 0.68 0.02 . 1 . . . . 581 ALA MB . 27038 1
77 . 1 1 72 72 ALA HB3 H 1 0.68 0.02 . 1 . . . . 581 ALA MB . 27038 1
78 . 1 1 72 72 ALA C C 13 179.2 0.2 . 1 . . . . 581 ALA C . 27038 1
79 . 1 1 72 72 ALA CA C 13 54.8 0.2 . 1 . . . . 581 ALA CA . 27038 1
80 . 1 1 72 72 ALA CB C 13 17.3 0.2 . 1 . . . . 581 ALA CB . 27038 1
81 . 1 1 72 72 ALA N N 15 117.8 0.2 . 1 . . . . 581 ALA N . 27038 1
82 . 1 1 78 78 ALA H H 1 8.26 0.02 . 1 . . . . 587 ALA H . 27038 1
83 . 1 1 78 78 ALA HA H 1 4.28 0.02 . 1 . . . . 587 ALA HA . 27038 1
84 . 1 1 78 78 ALA HB1 H 1 1.55 0.02 . 1 . . . . 587 ALA MB . 27038 1
85 . 1 1 78 78 ALA HB2 H 1 1.55 0.02 . 1 . . . . 587 ALA MB . 27038 1
86 . 1 1 78 78 ALA HB3 H 1 1.55 0.02 . 1 . . . . 587 ALA MB . 27038 1
87 . 1 1 78 78 ALA C C 13 180.7 0.2 . 1 . . . . 587 ALA C . 27038 1
88 . 1 1 78 78 ALA CA C 13 55.2 0.2 . 1 . . . . 587 ALA CA . 27038 1
89 . 1 1 78 78 ALA CB C 13 17.9 0.2 . 1 . . . . 587 ALA CB . 27038 1
90 . 1 1 78 78 ALA N N 15 123.1 0.2 . 1 . . . . 587 ALA N . 27038 1
91 . 1 1 91 91 ALA H H 1 7.73 0.02 . 1 . . . . 600 ALA H . 27038 1
92 . 1 1 91 91 ALA HA H 1 4.26 0.02 . 1 . . . . 600 ALA HA . 27038 1
93 . 1 1 91 91 ALA HB1 H 1 1.55 0.02 . 1 . . . . 600 ALA MB . 27038 1
94 . 1 1 91 91 ALA HB2 H 1 1.55 0.02 . 1 . . . . 600 ALA MB . 27038 1
95 . 1 1 91 91 ALA HB3 H 1 1.55 0.02 . 1 . . . . 600 ALA MB . 27038 1
96 . 1 1 91 91 ALA C C 13 181.0 0.2 . 1 . . . . 600 ALA C . 27038 1
97 . 1 1 91 91 ALA CA C 13 54.7 0.2 . 1 . . . . 600 ALA CA . 27038 1
98 . 1 1 91 91 ALA CB C 13 18.0 0.2 . 1 . . . . 600 ALA CB . 27038 1
99 . 1 1 91 91 ALA N N 15 122.3 0.2 . 1 . . . . 600 ALA N . 27038 1
100 . 1 1 94 94 ALA H H 1 8.04 0.02 . 1 . . . . 603 ALA H . 27038 1
101 . 1 1 94 94 ALA HA H 1 3.83 0.02 . 1 . . . . 603 ALA HA . 27038 1
102 . 1 1 94 94 ALA HB1 H 1 1.55 0.02 . 1 . . . . 603 ALA MB . 27038 1
103 . 1 1 94 94 ALA HB2 H 1 1.55 0.02 . 1 . . . . 603 ALA MB . 27038 1
104 . 1 1 94 94 ALA HB3 H 1 1.55 0.02 . 1 . . . . 603 ALA MB . 27038 1
105 . 1 1 94 94 ALA C C 13 179.1 0.2 . 1 . . . . 603 ALA C . 27038 1
106 . 1 1 94 94 ALA CA C 13 55.0 0.2 . 1 . . . . 603 ALA CA . 27038 1
107 . 1 1 94 94 ALA CB C 13 18.5 0.2 . 1 . . . . 603 ALA CB . 27038 1
108 . 1 1 94 94 ALA N N 15 119.4 0.2 . 1 . . . . 603 ALA N . 27038 1
stop_
save_