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 27037
_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' . . . 27037 1
3 '2D 1H-13C HSQC CT aliphatic' . . . 27037 1
5 '3D HN(CA)CO' . . . 27037 1
6 '3D 1H-15N NOESY' . . . 27037 1
8 '3D CBCA(CO)NH' . . . 27037 1
9 '3D HNCACB' . . . 27037 1
10 '3D HBHA(CO)NH' . . . 27037 1
11 '3D HNCO' . . . 27037 1
12 '3D HNCA' . . . 27037 1
13 '3D HN(CO)CA' . . . 27037 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 . . 27037 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 38 38 ALA H H 1 7.50 0.02 . 1 . . . . 39 ALA H . 27037 1
2 . 1 1 38 38 ALA HA H 1 4.26 0.02 . 1 . . . . 39 ALA HA . 27037 1
3 . 1 1 38 38 ALA HB1 H 1 1.45 0.02 . 1 . . . . 39 ALA MB . 27037 1
4 . 1 1 38 38 ALA HB2 H 1 1.45 0.02 . 1 . . . . 39 ALA MB . 27037 1
5 . 1 1 38 38 ALA HB3 H 1 1.45 0.02 . 1 . . . . 39 ALA MB . 27037 1
6 . 1 1 38 38 ALA C C 13 178.8 0.2 . 1 . . . . 39 ALA C . 27037 1
7 . 1 1 38 38 ALA CA C 13 55.0 0.2 . 1 . . . . 39 ALA CA . 27037 1
8 . 1 1 38 38 ALA CB C 13 18.7 0.2 . 1 . . . . 39 ALA CB . 27037 1
9 . 1 1 38 38 ALA N N 15 123.9 0.2 . 1 . . . . 39 ALA N . 27037 1
10 . 1 1 41 41 ALA H H 1 8.18 0.02 . 1 . . . . 42 ALA H . 27037 1
11 . 1 1 41 41 ALA HA H 1 4.20 0.02 . 1 . . . . 42 ALA HA . 27037 1
12 . 1 1 41 41 ALA HB1 H 1 1.74 0.02 . 1 . . . . 42 ALA MB . 27037 1
13 . 1 1 41 41 ALA HB2 H 1 1.74 0.02 . 1 . . . . 42 ALA MB . 27037 1
14 . 1 1 41 41 ALA HB3 H 1 1.74 0.02 . 1 . . . . 42 ALA MB . 27037 1
15 . 1 1 41 41 ALA C C 13 181.5 0.2 . 1 . . . . 42 ALA C . 27037 1
16 . 1 1 41 41 ALA CA C 13 54.9 0.2 . 1 . . . . 42 ALA CA . 27037 1
17 . 1 1 41 41 ALA CB C 13 18.9 0.2 . 1 . . . . 42 ALA CB . 27037 1
18 . 1 1 41 41 ALA N N 15 122.7 0.2 . 1 . . . . 42 ALA N . 27037 1
19 . 1 1 42 42 ALA H H 1 8.47 0.02 . 1 . . . . 43 ALA H . 27037 1
20 . 1 1 42 42 ALA HA H 1 4.16 0.02 . 1 . . . . 43 ALA HA . 27037 1
21 . 1 1 42 42 ALA HB1 H 1 1.63 0.02 . 1 . . . . 43 ALA MB . 27037 1
22 . 1 1 42 42 ALA HB2 H 1 1.63 0.02 . 1 . . . . 43 ALA MB . 27037 1
23 . 1 1 42 42 ALA HB3 H 1 1.63 0.02 . 1 . . . . 43 ALA MB . 27037 1
24 . 1 1 42 42 ALA C C 13 178.8 0.2 . 1 . . . . 43 ALA C . 27037 1
25 . 1 1 42 42 ALA CA C 13 55.3 0.2 . 1 . . . . 43 ALA CA . 27037 1
26 . 1 1 42 42 ALA CB C 13 19.1 0.2 . 1 . . . . 43 ALA CB . 27037 1
27 . 1 1 42 42 ALA N N 15 124.3 0.2 . 1 . . . . 43 ALA N . 27037 1
28 . 1 1 49 49 ALA H H 1 8.75 0.02 . 1 . . . . 50 ALA H . 27037 1
29 . 1 1 49 49 ALA HA H 1 4.06 0.02 . 1 . . . . 50 ALA HA . 27037 1
30 . 1 1 49 49 ALA HB1 H 1 0.86 0.02 . 1 . . . . 50 ALA MB . 27037 1
31 . 1 1 49 49 ALA HB2 H 1 0.86 0.02 . 1 . . . . 50 ALA MB . 27037 1
32 . 1 1 49 49 ALA HB3 H 1 0.86 0.02 . 1 . . . . 50 ALA MB . 27037 1
33 . 1 1 49 49 ALA C C 13 178.8 0.2 . 1 . . . . 50 ALA C . 27037 1
34 . 1 1 49 49 ALA CA C 13 52.5 0.2 . 1 . . . . 50 ALA CA . 27037 1
35 . 1 1 49 49 ALA CB C 13 18.4 0.2 . 1 . . . . 50 ALA CB . 27037 1
36 . 1 1 49 49 ALA N N 15 120.1 0.2 . 1 . . . . 50 ALA N . 27037 1
37 . 1 1 97 97 ALA H H 1 8.07 0.02 . 1 . . . . 98 ALA H . 27037 1
38 . 1 1 97 97 ALA HA H 1 4.26 0.02 . 1 . . . . 98 ALA HA . 27037 1
39 . 1 1 97 97 ALA HB1 H 1 1.36 0.02 . 1 . . . . 98 ALA MB . 27037 1
40 . 1 1 97 97 ALA HB2 H 1 1.36 0.02 . 1 . . . . 98 ALA MB . 27037 1
41 . 1 1 97 97 ALA HB3 H 1 1.36 0.02 . 1 . . . . 98 ALA MB . 27037 1
42 . 1 1 97 97 ALA C C 13 177.8 0.2 . 1 . . . . 98 ALA C . 27037 1
43 . 1 1 97 97 ALA CA C 13 52.9 0.2 . 1 . . . . 98 ALA CA . 27037 1
44 . 1 1 97 97 ALA CB C 13 19.2 0.2 . 1 . . . . 98 ALA CB . 27037 1
45 . 1 1 97 97 ALA N N 15 125.2 0.2 . 1 . . . . 98 ALA N . 27037 1
46 . 1 1 113 113 ALA H H 1 8.16 0.02 . 1 . . . . 114 ALA H . 27037 1
47 . 1 1 113 113 ALA HA H 1 4.26 0.02 . 1 . . . . 114 ALA HA . 27037 1
48 . 1 1 113 113 ALA HB1 H 1 1.43 0.02 . 1 . . . . 114 ALA MB . 27037 1
49 . 1 1 113 113 ALA HB2 H 1 1.43 0.02 . 1 . . . . 114 ALA MB . 27037 1
50 . 1 1 113 113 ALA HB3 H 1 1.43 0.02 . 1 . . . . 114 ALA MB . 27037 1
51 . 1 1 113 113 ALA C C 13 178.5 0.2 . 1 . . . . 114 ALA C . 27037 1
52 . 1 1 113 113 ALA CA C 13 53.3 0.2 . 1 . . . . 114 ALA CA . 27037 1
53 . 1 1 113 113 ALA CB C 13 18.9 0.2 . 1 . . . . 114 ALA CB . 27037 1
54 . 1 1 113 113 ALA N N 15 123.5 0.2 . 1 . . . . 114 ALA N . 27037 1
55 . 1 1 129 129 ALA H H 1 7.81 0.02 . 1 . . . . 130 ALA H . 27037 1
56 . 1 1 129 129 ALA HA H 1 3.57 0.02 . 1 . . . . 130 ALA HA . 27037 1
57 . 1 1 129 129 ALA HB1 H 1 0.93 0.02 . 1 . . . . 130 ALA MB . 27037 1
58 . 1 1 129 129 ALA HB2 H 1 0.93 0.02 . 1 . . . . 130 ALA MB . 27037 1
59 . 1 1 129 129 ALA HB3 H 1 0.93 0.02 . 1 . . . . 130 ALA MB . 27037 1
60 . 1 1 129 129 ALA C C 13 178.3 0.2 . 1 . . . . 130 ALA C . 27037 1
61 . 1 1 129 129 ALA CA C 13 54.8 0.2 . 1 . . . . 130 ALA CA . 27037 1
62 . 1 1 129 129 ALA CB C 13 18.9 0.2 . 1 . . . . 130 ALA CB . 27037 1
63 . 1 1 129 129 ALA N N 15 123.9 0.2 . 1 . . . . 130 ALA N . 27037 1
64 . 1 1 133 133 ALA H H 1 7.68 0.02 . 1 . . . . 134 ALA H . 27037 1
65 . 1 1 133 133 ALA HA H 1 5.11 0.02 . 1 . . . . 134 ALA HA . 27037 1
66 . 1 1 133 133 ALA HB1 H 1 0.95 0.02 . 1 . . . . 134 ALA MB . 27037 1
67 . 1 1 133 133 ALA HB2 H 1 0.95 0.02 . 1 . . . . 134 ALA MB . 27037 1
68 . 1 1 133 133 ALA HB3 H 1 0.95 0.02 . 1 . . . . 134 ALA MB . 27037 1
69 . 1 1 133 133 ALA C C 13 175.1 0.2 . 1 . . . . 134 ALA C . 27037 1
70 . 1 1 133 133 ALA CA C 13 51.1 0.2 . 1 . . . . 134 ALA CA . 27037 1
71 . 1 1 133 133 ALA CB C 13 23.0 0.2 . 1 . . . . 134 ALA CB . 27037 1
72 . 1 1 133 133 ALA N N 15 124.9 0.2 . 1 . . . . 134 ALA N . 27037 1
73 . 1 1 142 142 ALA H H 1 8.69 0.02 . 1 . . . . 143 ALA H . 27037 1
74 . 1 1 142 142 ALA HA H 1 5.01 0.02 . 1 . . . . 143 ALA HA . 27037 1
75 . 1 1 142 142 ALA HB1 H 1 1.21 0.02 . 1 . . . . 143 ALA MB . 27037 1
76 . 1 1 142 142 ALA HB2 H 1 1.21 0.02 . 1 . . . . 143 ALA MB . 27037 1
77 . 1 1 142 142 ALA HB3 H 1 1.21 0.02 . 1 . . . . 143 ALA MB . 27037 1
78 . 1 1 142 142 ALA C C 13 178.5 0.2 . 1 . . . . 143 ALA C . 27037 1
79 . 1 1 142 142 ALA CA C 13 51.0 0.2 . 1 . . . . 143 ALA CA . 27037 1
80 . 1 1 142 142 ALA CB C 13 20.3 0.2 . 1 . . . . 143 ALA CB . 27037 1
81 . 1 1 142 142 ALA N N 15 129.9 0.2 . 1 . . . . 143 ALA N . 27037 1
82 . 1 1 143 143 ALA H H 1 8.71 0.02 . 1 . . . . 144 ALA H . 27037 1
83 . 1 1 143 143 ALA HA H 1 4.09 0.02 . 1 . . . . 144 ALA HA . 27037 1
84 . 1 1 143 143 ALA HB1 H 1 1.37 0.02 . 1 . . . . 144 ALA MB . 27037 1
85 . 1 1 143 143 ALA HB2 H 1 1.37 0.02 . 1 . . . . 144 ALA MB . 27037 1
86 . 1 1 143 143 ALA HB3 H 1 1.37 0.02 . 1 . . . . 144 ALA MB . 27037 1
87 . 1 1 143 143 ALA C C 13 177.9 0.2 . 1 . . . . 144 ALA C . 27037 1
88 . 1 1 143 143 ALA CA C 13 52.5 0.2 . 1 . . . . 144 ALA CA . 27037 1
89 . 1 1 143 143 ALA CB C 13 19.9 0.2 . 1 . . . . 144 ALA CB . 27037 1
90 . 1 1 143 143 ALA N N 15 123.9 0.2 . 1 . . . . 144 ALA N . 27037 1
91 . 1 1 156 156 ALA H H 1 8.59 0.02 . 1 . . . . 157 ALA H . 27037 1
92 . 1 1 156 156 ALA HA H 1 5.24 0.02 . 1 . . . . 157 ALA HA . 27037 1
93 . 1 1 156 156 ALA HB1 H 1 1.60 0.02 . 1 . . . . 157 ALA MB . 27037 1
94 . 1 1 156 156 ALA HB2 H 1 1.60 0.02 . 1 . . . . 157 ALA MB . 27037 1
95 . 1 1 156 156 ALA HB3 H 1 1.60 0.02 . 1 . . . . 157 ALA MB . 27037 1
96 . 1 1 156 156 ALA C C 13 177.1 0.2 . 1 . . . . 157 ALA C . 27037 1
97 . 1 1 156 156 ALA CA C 13 51.8 0.2 . 1 . . . . 157 ALA CA . 27037 1
98 . 1 1 156 156 ALA CB C 13 19.5 0.2 . 1 . . . . 157 ALA CB . 27037 1
99 . 1 1 156 156 ALA N N 15 129.0 0.2 . 1 . . . . 157 ALA N . 27037 1
100 . 1 1 164 164 ALA H H 1 9.40 0.02 . 1 . . . . 165 ALA H . 27037 1
101 . 1 1 164 164 ALA HA H 1 4.79 0.02 . 1 . . . . 165 ALA HA . 27037 1
102 . 1 1 164 164 ALA HB1 H 1 1.38 0.02 . 1 . . . . 165 ALA MB . 27037 1
103 . 1 1 164 164 ALA HB2 H 1 1.38 0.02 . 1 . . . . 165 ALA MB . 27037 1
104 . 1 1 164 164 ALA HB3 H 1 1.38 0.02 . 1 . . . . 165 ALA MB . 27037 1
105 . 1 1 164 164 ALA C C 13 174.6 0.2 . 1 . . . . 165 ALA C . 27037 1
106 . 1 1 164 164 ALA CA C 13 51.4 0.2 . 1 . . . . 165 ALA CA . 27037 1
107 . 1 1 164 164 ALA CB C 13 23.8 0.2 . 1 . . . . 165 ALA CB . 27037 1
108 . 1 1 164 164 ALA N N 15 126.3 0.2 . 1 . . . . 165 ALA N . 27037 1
109 . 1 1 204 204 ALA H H 1 8.49 0.02 . 1 . . . . 205 ALA H . 27037 1
110 . 1 1 204 204 ALA HA H 1 4.46 0.02 . 1 . . . . 205 ALA HA . 27037 1
111 . 1 1 204 204 ALA HB1 H 1 1.40 0.02 . 1 . . . . 205 ALA MB . 27037 1
112 . 1 1 204 204 ALA HB2 H 1 1.40 0.02 . 1 . . . . 205 ALA MB . 27037 1
113 . 1 1 204 204 ALA HB3 H 1 1.40 0.02 . 1 . . . . 205 ALA MB . 27037 1
114 . 1 1 204 204 ALA C C 13 176.3 0.2 . 1 . . . . 205 ALA C . 27037 1
115 . 1 1 204 204 ALA CA C 13 52.2 0.2 . 1 . . . . 205 ALA CA . 27037 1
116 . 1 1 204 204 ALA CB C 13 19.2 0.2 . 1 . . . . 205 ALA CB . 27037 1
117 . 1 1 204 204 ALA N N 15 127.8 0.2 . 1 . . . . 205 ALA N . 27037 1
stop_
save_