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 31095
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 '2D 1H-13C HSQC' . . . 31095 1
2 '2D 1H-15N HSQC' . . . 31095 1
3 '2D 1H-1H NOESY' . . . 31095 1
4 '2D 1H-1H TOCSY' . . . 31095 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 1 1 THR H H 1 8.295 . . . . . . . A 1 THR H1 . 31095 1
2 . 1 . 1 1 1 THR HA H 1 4.211 . . . . . . . A 1 THR HA . 31095 1
3 . 1 . 1 1 1 THR HB H 1 4.138 . . . . . . . A 1 THR HB . 31095 1
4 . 1 . 1 1 1 THR CA C 13 62.284 . . . . . . . A 1 THR CA . 31095 1
5 . 1 . 1 1 1 THR CB C 13 69.733 . . . . . . . A 1 THR CB . 31095 1
6 . 1 . 1 1 1 THR N N 15 120.754 . . . . . . . A 1 THR N . 31095 1
7 . 1 . 1 2 2 MET H H 1 8.578 . . . . . . . A 2 MET H . 31095 1
8 . 1 . 1 2 2 MET HA H 1 4.472 . . . . . . . A 2 MET HA . 31095 1
9 . 1 . 1 2 2 MET HB2 H 1 1.971 . . . . . . . A 2 MET HB2 . 31095 1
10 . 1 . 1 2 2 MET HB3 H 1 1.971 . . . . . . . A 2 MET HB3 . 31095 1
11 . 1 . 1 2 2 MET CA C 13 55.399 . . . . . . . A 2 MET CA . 31095 1
12 . 1 . 1 2 2 MET CB C 13 32.622 . . . . . . . A 2 MET CB . 31095 1
13 . 1 . 1 2 2 MET N N 15 123.724 . . . . . . . A 2 MET N . 31095 1
14 . 1 . 1 3 3 ILE H H 1 8.292 . . . . . . . A 3 ILE H . 31095 1
15 . 1 . 1 3 3 ILE HA H 1 4.086 . . . . . . . A 3 ILE HA . 31095 1
16 . 1 . 1 3 3 ILE HB H 1 1.789 . . . . . . . A 3 ILE HB . 31095 1
17 . 1 . 1 3 3 ILE CA C 13 61.059 . . . . . . . A 3 ILE CA . 31095 1
18 . 1 . 1 3 3 ILE CB C 13 38.489 . . . . . . . A 3 ILE CB . 31095 1
19 . 1 . 1 3 3 ILE N N 15 123.393 . . . . . . . A 3 ILE N . 31095 1
20 . 1 . 1 4 4 GLU H H 1 8.533 . . . . . . . A 4 GLU H . 31095 1
21 . 1 . 1 4 4 GLU HA H 1 4.295 . . . . . . . A 4 GLU HA . 31095 1
22 . 1 . 1 4 4 GLU HB2 H 1 1.903 . . . . . . . A 4 GLU HB2 . 31095 1
23 . 1 . 1 4 4 GLU HB3 H 1 1.903 . . . . . . . A 4 GLU HB3 . 31095 1
24 . 1 . 1 4 4 GLU CA C 13 55.577 . . . . . . . A 4 GLU CA . 31095 1
25 . 1 . 1 4 4 GLU CB C 13 28.930 . . . . . . . A 4 GLU CB . 31095 1
26 . 1 . 1 4 4 GLU N N 15 125.155 . . . . . . . A 4 GLU N . 31095 1
27 . 1 . 1 5 5 ASP H H 1 8.623 . . . . . . . A 5 ASP H . 31095 1
28 . 1 . 1 5 5 ASP HA H 1 4.910 . . . . . . . A 5 ASP HA . 31095 1
29 . 1 . 1 5 5 ASP HB2 H 1 2.675 . . . . . . . A 5 ASP HB2 . 31095 1
30 . 1 . 1 5 5 ASP HB3 H 1 2.675 . . . . . . . A 5 ASP HB3 . 31095 1
31 . 1 . 1 5 5 ASP CA C 13 51.284 . . . . . . . A 5 ASP CA . 31095 1
32 . 1 . 1 5 5 ASP CB C 13 39.133 . . . . . . . A 5 ASP CB . 31095 1
33 . 1 . 1 5 5 ASP N N 15 121.884 . . . . . . . A 5 ASP N . 31095 1
34 . 1 . 1 6 6 PRO HA H 1 4.348 . . . . . . . A 6 PRO HA . 31095 1
35 . 1 . 1 6 6 PRO HB2 H 1 1.922 . . . . . . . A 6 PRO HB2 . 31095 1
36 . 1 . 1 6 6 PRO HB3 H 1 1.922 . . . . . . . A 6 PRO HB3 . 31095 1
37 . 1 . 1 6 6 PRO CA C 13 63.831 . . . . . . . A 6 PRO CA . 31095 1
38 . 1 . 1 6 6 PRO CB C 13 32.034 . . . . . . . A 6 PRO CB . 31095 1
39 . 1 . 1 7 7 GLU H H 1 8.370 . . . . . . . A 7 GLU H . 31095 1
40 . 1 . 1 7 7 GLU HA H 1 4.232 . . . . . . . A 7 GLU HA . 31095 1
41 . 1 . 1 7 7 GLU HB2 H 1 1.933 . . . . . . . A 7 GLU HB2 . 31095 1
42 . 1 . 1 7 7 GLU HB3 H 1 1.933 . . . . . . . A 7 GLU HB3 . 31095 1
43 . 1 . 1 7 7 GLU CA C 13 55.935 . . . . . . . A 7 GLU CA . 31095 1
44 . 1 . 1 7 7 GLU CB C 13 28.338 . . . . . . . A 7 GLU CB . 31095 1
45 . 1 . 1 7 7 GLU N N 15 118.773 . . . . . . . A 7 GLU N . 31095 1
46 . 1 . 1 8 8 ALA H H 1 8.049 . . . . . . . A 8 ALA H . 31095 1
47 . 1 . 1 8 8 ALA HA H 1 4.193 . . . . . . . A 8 ALA HA . 31095 1
48 . 1 . 1 8 8 ALA HB1 H 1 1.374 . . . . . . . A 8 ALA HB1 . 31095 1
49 . 1 . 1 8 8 ALA HB2 H 1 1.374 . . . . . . . A 8 ALA HB2 . 31095 1
50 . 1 . 1 8 8 ALA HB3 H 1 1.374 . . . . . . . A 8 ALA HB3 . 31095 1
51 . 1 . 1 8 8 ALA CA C 13 53.014 . . . . . . . A 8 ALA CA . 31095 1
52 . 1 . 1 8 8 ALA CB C 13 18.946 . . . . . . . A 8 ALA CB . 31095 1
53 . 1 . 1 8 8 ALA N N 15 124.295 . . . . . . . A 8 ALA N . 31095 1
54 . 1 . 1 9 9 GLY H H 1 8.378 . . . . . . . A 9 GLY H . 31095 1
55 . 1 . 1 9 9 GLY HA2 H 1 3.811 . . . . . . . A 9 GLY HA2 . 31095 1
56 . 1 . 1 9 9 GLY HA3 H 1 3.811 . . . . . . . A 9 GLY HA3 . 31095 1
57 . 1 . 1 9 9 GLY CA C 13 45.275 . . . . . . . A 9 GLY CA . 31095 1
58 . 1 . 1 9 9 GLY N N 15 107.847 . . . . . . . A 9 GLY N . 31095 1
59 . 1 . 1 10 10 HIS H H 1 8.222 . . . . . . . A 10 HIS H . 31095 1
60 . 1 . 1 10 10 HIS HA H 1 4.612 . . . . . . . A 10 HIS HA . 31095 1
61 . 1 . 1 10 10 HIS HB2 H 1 3.044 . . . . . . . A 10 HIS HB2 . 31095 1
62 . 1 . 1 10 10 HIS HB3 H 1 3.044 . . . . . . . A 10 HIS HB3 . 31095 1
63 . 1 . 1 10 10 HIS CA C 13 55.015 . . . . . . . A 10 HIS CA . 31095 1
64 . 1 . 1 10 10 HIS CB C 13 28.795 . . . . . . . A 10 HIS CB . 31095 1
65 . 1 . 1 10 10 HIS N N 15 117.832 . . . . . . . A 10 HIS N . 31095 1
66 . 1 . 1 11 11 PHE H H 1 8.361 . . . . . . . A 11 PHE H . 31095 1
67 . 1 . 1 11 11 PHE HA H 1 4.560 . . . . . . . A 11 PHE HA . 31095 1
68 . 1 . 1 11 11 PHE HB2 H 1 2.960 . . . . . . . A 11 PHE HB2 . 31095 1
69 . 1 . 1 11 11 PHE HB3 H 1 2.960 . . . . . . . A 11 PHE HB3 . 31095 1
70 . 1 . 1 11 11 PHE CA C 13 57.860 . . . . . . . A 11 PHE CA . 31095 1
71 . 1 . 1 11 11 PHE CB C 13 39.609 . . . . . . . A 11 PHE CB . 31095 1
72 . 1 . 1 11 11 PHE N N 15 121.264 . . . . . . . A 11 PHE N . 31095 1
73 . 1 . 1 12 12 HIS H H 1 8.555 . . . . . . . A 12 HIS H . 31095 1
74 . 1 . 1 12 12 HIS HA H 1 4.703 . . . . . . . A 12 HIS HA . 31095 1
75 . 1 . 1 12 12 HIS HB2 H 1 3.116 . . . . . . . A 12 HIS HB2 . 31095 1
76 . 1 . 1 12 12 HIS HB3 H 1 3.116 . . . . . . . A 12 HIS HB3 . 31095 1
77 . 1 . 1 12 12 HIS CA C 13 55.061 . . . . . . . A 12 HIS CA . 31095 1
78 . 1 . 1 12 12 HIS CB C 13 29.181 . . . . . . . A 12 HIS CB . 31095 1
79 . 1 . 1 12 12 HIS N N 15 121.056 . . . . . . . A 12 HIS N . 31095 1
80 . 1 . 1 13 13 THR H H 1 8.339 . . . . . . . A 13 THR H . 31095 1
81 . 1 . 1 13 13 THR HA H 1 4.314 . . . . . . . A 13 THR HA . 31095 1
82 . 1 . 1 13 13 THR HB H 1 4.198 . . . . . . . A 13 THR HB . 31095 1
83 . 1 . 1 13 13 THR CA C 13 61.782 . . . . . . . A 13 THR CA . 31095 1
84 . 1 . 1 13 13 THR CB C 13 69.881 . . . . . . . A 13 THR CB . 31095 1
85 . 1 . 1 13 13 THR N N 15 116.567 . . . . . . . A 13 THR N . 31095 1
86 . 1 . 1 14 14 SER H H 1 8.558 . . . . . . . A 14 SER H . 31095 1
87 . 1 . 1 14 14 SER HA H 1 4.430 . . . . . . . A 14 SER HA . 31095 1
88 . 1 . 1 14 14 SER HB2 H 1 3.829 . . . . . . . A 14 SER HB2 . 31095 1
89 . 1 . 1 14 14 SER HB3 H 1 3.829 . . . . . . . A 14 SER HB3 . 31095 1
90 . 1 . 1 14 14 SER CA C 13 58.390 . . . . . . . A 14 SER CA . 31095 1
91 . 1 . 1 14 14 SER CB C 13 63.688 . . . . . . . A 14 SER CB . 31095 1
92 . 1 . 1 14 14 SER N N 15 118.589 . . . . . . . A 14 SER N . 31095 1
93 . 1 . 1 15 15 SER H H 1 8.602 . . . . . . . A 15 SER H . 31095 1
94 . 1 . 1 15 15 SER HA H 1 4.496 . . . . . . . A 15 SER HA . 31095 1
95 . 1 . 1 15 15 SER HB2 H 1 3.847 . . . . . . . A 15 SER HB2 . 31095 1
96 . 1 . 1 15 15 SER HB3 H 1 3.847 . . . . . . . A 15 SER HB3 . 31095 1
97 . 1 . 1 15 15 SER CA C 13 58.275 . . . . . . . A 15 SER CA . 31095 1
98 . 1 . 1 15 15 SER CB C 13 63.707 . . . . . . . A 15 SER CB . 31095 1
99 . 1 . 1 15 15 SER N N 15 118.641 . . . . . . . A 15 SER N . 31095 1
100 . 1 . 1 16 16 ALA H H 1 8.405 . . . . . . . A 16 ALA H . 31095 1
101 . 1 . 1 16 16 ALA HA H 1 4.249 . . . . . . . A 16 ALA HA . 31095 1
102 . 1 . 1 16 16 ALA HB1 H 1 1.358 . . . . . . . A 16 ALA HB1 . 31095 1
103 . 1 . 1 16 16 ALA HB2 H 1 1.358 . . . . . . . A 16 ALA HB2 . 31095 1
104 . 1 . 1 16 16 ALA HB3 H 1 1.358 . . . . . . . A 16 ALA HB3 . 31095 1
105 . 1 . 1 16 16 ALA CA C 13 52.442 . . . . . . . A 16 ALA CA . 31095 1
106 . 1 . 1 16 16 ALA CB C 13 19.321 . . . . . . . A 16 ALA CB . 31095 1
107 . 1 . 1 16 16 ALA N N 15 126.989 . . . . . . . A 16 ALA N . 31095 1
stop_
save_