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 30453
_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 $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-1H NOESY' . . . 30453 1
2 '2D 1H-1H TOCSY' . . . 30453 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.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 H H 1 8.683 0.02 . 1 . . . . A 2 ALA H . 30453 1
2 . 1 1 2 2 ALA HA H 1 4.194 0.01 . 1 . . . . A 2 ALA HA . 30453 1
3 . 1 1 2 2 ALA HB1 H 1 1.480 0.01 . 1 . . . . A 2 ALA HB1 . 30453 1
4 . 1 1 2 2 ALA HB2 H 1 1.480 0.01 . 1 . . . . A 2 ALA HB2 . 30453 1
5 . 1 1 2 2 ALA HB3 H 1 1.480 0.01 . 1 . . . . A 2 ALA HB3 . 30453 1
6 . 1 1 3 3 TYR H H 1 9.111 0.02 . 1 . . . . A 3 TYR H . 30453 1
7 . 1 1 3 3 TYR HA H 1 4.062 0.01 . 1 . . . . A 3 TYR HA . 30453 1
8 . 1 1 3 3 TYR HB2 H 1 3.096 0.01 . . . . . . A 3 TYR HB2 . 30453 1
9 . 1 1 3 3 TYR HB3 H 1 3.096 0.01 . . . . . . A 3 TYR HB3 . 30453 1
10 . 1 1 3 3 TYR HD1 H 1 7.086 0.01 . . . . . . A 3 TYR HD1 . 30453 1
11 . 1 1 3 3 TYR HD2 H 1 7.086 0.01 . . . . . . A 3 TYR HD2 . 30453 1
12 . 1 1 3 3 TYR HE1 H 1 6.817 0.01 . . . . . . A 3 TYR HE1 . 30453 1
13 . 1 1 3 3 TYR HE2 H 1 6.817 0.01 . . . . . . A 3 TYR HE2 . 30453 1
14 . 1 1 4 4 ALA H H 1 8.546 0.02 . 1 . . . . A 4 ALA H . 30453 1
15 . 1 1 4 4 ALA HA H 1 4.124 0.01 . 1 . . . . A 4 ALA HA . 30453 1
16 . 1 1 4 4 ALA HB1 H 1 1.539 0.01 . 1 . . . . A 4 ALA HB1 . 30453 1
17 . 1 1 4 4 ALA HB2 H 1 1.539 0.01 . 1 . . . . A 4 ALA HB2 . 30453 1
18 . 1 1 4 4 ALA HB3 H 1 1.539 0.01 . 1 . . . . A 4 ALA HB3 . 30453 1
19 . 1 1 5 5 GLN H H 1 8.101 0.02 . 1 . . . . A 5 GLN H . 30453 1
20 . 1 1 5 5 GLN HA H 1 4.090 0.01 . 1 . . . . A 5 GLN HA . 30453 1
21 . 1 1 5 5 GLN HB2 H 1 2.167 0.01 . . . . . . A 5 GLN HB2 . 30453 1
22 . 1 1 5 5 GLN HB3 H 1 2.167 0.01 . . . . . . A 5 GLN HB3 . 30453 1
23 . 1 1 5 5 GLN HG2 H 1 2.389 0.01 . . . . . . A 5 GLN HG2 . 30453 1
24 . 1 1 5 5 GLN HG3 H 1 2.389 0.01 . . . . . . A 5 GLN HG3 . 30453 1
25 . 1 1 5 5 GLN HE21 H 1 7.112 0.01 . . . . . . A 5 GLN HE21 . 30453 1
26 . 1 1 5 5 GLN HE22 H 1 7.455 0.01 . . . . . . A 5 GLN HE22 . 30453 1
27 . 1 1 6 6 TRP H H 1 8.126 0.02 . 1 . . . . A 6 TRP H . 30453 1
28 . 1 1 6 6 TRP HA H 1 4.228 0.01 . 1 . . . . A 6 TRP HA . 30453 1
29 . 1 1 6 6 TRP HB2 H 1 3.163 0.01 . . . . . . A 6 TRP HB2 . 30453 1
30 . 1 1 6 6 TRP HB3 H 1 3.544 0.01 . . . . . . A 6 TRP HB3 . 30453 1
31 . 1 1 6 6 TRP HD1 H 1 7.096 0.01 . 1 . . . . A 6 TRP HD1 . 30453 1
32 . 1 1 6 6 TRP HE1 H 1 9.593 0.01 . 1 . . . . A 6 TRP HE1 . 30453 1
33 . 1 1 6 6 TRP HE3 H 1 6.952 0.01 . 1 . . . . A 6 TRP HE3 . 30453 1
34 . 1 1 6 6 TRP HZ2 H 1 7.197 0.01 . 1 . . . . A 6 TRP HZ2 . 30453 1
35 . 1 1 6 6 TRP HZ3 H 1 7.095 0.01 . 1 . . . . A 6 TRP HZ3 . 30453 1
36 . 1 1 6 6 TRP HH2 H 1 7.217 0.01 . 1 . . . . A 6 TRP HH2 . 30453 1
37 . 1 1 7 7 LEU H H 1 8.582 0.02 . 1 . . . . A 7 LEU H . 30453 1
38 . 1 1 7 7 LEU HA H 1 3.315 0.01 . 1 . . . . A 7 LEU HA . 30453 1
39 . 1 1 7 7 LEU HB2 H 1 1.814 0.01 . . . . . . A 7 LEU HB2 . 30453 1
40 . 1 1 7 7 LEU HB3 H 1 1.438 0.01 . . . . . . A 7 LEU HB3 . 30453 1
41 . 1 1 7 7 LEU HG H 1 1.603 0.01 . 1 . . . . A 7 LEU HG . 30453 1
42 . 1 1 7 7 LEU HD11 H 1 0.980 0.01 . . . . . . A 7 LEU HD11 . 30453 1
43 . 1 1 7 7 LEU HD12 H 1 0.980 0.01 . . . . . . A 7 LEU HD12 . 30453 1
44 . 1 1 7 7 LEU HD13 H 1 0.980 0.01 . . . . . . A 7 LEU HD13 . 30453 1
45 . 1 1 7 7 LEU HD21 H 1 0.901 0.01 . . . . . . A 7 LEU HD21 . 30453 1
46 . 1 1 7 7 LEU HD22 H 1 0.901 0.01 . . . . . . A 7 LEU HD22 . 30453 1
47 . 1 1 7 7 LEU HD23 H 1 0.901 0.01 . . . . . . A 7 LEU HD23 . 30453 1
48 . 1 1 8 8 ALA H H 1 8.189 0.02 . 1 . . . . A 8 ALA H . 30453 1
49 . 1 1 8 8 ALA HA H 1 4.070 0.01 . 1 . . . . A 8 ALA HA . 30453 1
50 . 1 1 8 8 ALA HB1 H 1 1.482 0.01 . 1 . . . . A 8 ALA HB1 . 30453 1
51 . 1 1 8 8 ALA HB2 H 1 1.482 0.01 . 1 . . . . A 8 ALA HB2 . 30453 1
52 . 1 1 8 8 ALA HB3 H 1 1.482 0.01 . 1 . . . . A 8 ALA HB3 . 30453 1
53 . 1 1 9 9 ASP H H 1 7.791 0.02 . 1 . . . . A 9 ASP H . 30453 1
54 . 1 1 9 9 ASP HA H 1 4.629 0.01 . 1 . . . . A 9 ASP HA . 30453 1
55 . 1 1 9 9 ASP HB2 H 1 2.986 0.01 . . . . . . A 9 ASP HB2 . 30453 1
56 . 1 1 9 9 ASP HB3 H 1 3.081 0.01 . . . . . . A 9 ASP HB3 . 30453 1
57 . 1 1 10 10 DAL H H 1 7.413 0.02 . 1 . . . . A 10 DAL H . 30453 1
58 . 1 1 10 10 DAL HA H 1 4.374 0.01 . 1 . . . . A 10 DAL HA . 30453 1
59 . 1 1 10 10 DAL HB1 H 1 1.268 0.01 . 1 . . . . A 10 DAL HB1 . 30453 1
60 . 1 1 10 10 DAL HB2 H 1 1.268 0.01 . 1 . . . . A 10 DAL HB2 . 30453 1
61 . 1 1 10 10 DAL HB3 H 1 1.268 0.01 . 1 . . . . A 10 DAL HB3 . 30453 1
62 . 1 1 11 11 GLY H H 1 8.311 0.02 . 1 . . . . A 11 GLY H . 30453 1
63 . 1 1 11 11 GLY HA2 H 1 0.752 0.01 . . . . . . A 11 GLY HA2 . 30453 1
64 . 1 1 11 11 GLY HA3 H 1 3.070 0.01 . . . . . . A 11 GLY HA3 . 30453 1
65 . 1 1 12 12 PRO HA H 1 4.617 0.01 . 1 . . . . A 12 PRO HA . 30453 1
66 . 1 1 12 12 PRO HB2 H 1 2.040 0.01 . . . . . . A 12 PRO HB2 . 30453 1
67 . 1 1 12 12 PRO HB3 H 1 2.541 0.01 . . . . . . A 12 PRO HB3 . 30453 1
68 . 1 1 12 12 PRO HG2 H 1 2.196 0.01 . . . . . . A 12 PRO HG2 . 30453 1
69 . 1 1 12 12 PRO HG3 H 1 2.189 0.01 . . . . . . A 12 PRO HG3 . 30453 1
70 . 1 1 12 12 PRO HD2 H 1 3.748 0.01 . . . . . . A 12 PRO HD2 . 30453 1
71 . 1 1 12 12 PRO HD3 H 1 3.452 0.01 . . . . . . A 12 PRO HD3 . 30453 1
72 . 1 1 13 13 ALA H H 1 7.350 0.02 . 1 . . . . A 13 ALA H . 30453 1
73 . 1 1 13 13 ALA HA H 1 4.228 0.01 . 1 . . . . A 13 ALA HA . 30453 1
74 . 1 1 13 13 ALA HB1 H 1 1.415 0.01 . 1 . . . . A 13 ALA HB1 . 30453 1
75 . 1 1 13 13 ALA HB2 H 1 1.415 0.01 . 1 . . . . A 13 ALA HB2 . 30453 1
76 . 1 1 13 13 ALA HB3 H 1 1.415 0.01 . 1 . . . . A 13 ALA HB3 . 30453 1
77 . 1 1 14 14 SER H H 1 8.092 0.02 . 1 . . . . A 14 SER H . 30453 1
78 . 1 1 14 14 SER HA H 1 4.165 0.01 . 1 . . . . A 14 SER HA . 30453 1
79 . 1 1 14 14 SER HB2 H 1 3.907 0.01 . . . . . . A 14 SER HB2 . 30453 1
80 . 1 1 14 14 SER HB3 H 1 3.569 0.01 . . . . . . A 14 SER HB3 . 30453 1
81 . 1 1 15 15 DAL H H 1 7.334 0.01 . 1 . . . . A 15 DAL H . 30453 1
82 . 1 1 15 15 DAL HA H 1 4.428 0.01 . 1 . . . . A 15 DAL HA . 30453 1
83 . 1 1 15 15 DAL HB1 H 1 1.502 0.01 . 1 . . . . A 15 DAL HB1 . 30453 1
84 . 1 1 15 15 DAL HB2 H 1 1.502 0.01 . 1 . . . . A 15 DAL HB2 . 30453 1
85 . 1 1 15 15 DAL HB3 H 1 1.502 0.01 . 1 . . . . A 15 DAL HB3 . 30453 1
86 . 1 1 17 17 PRO HA H 1 4.587 0.01 . 1 . . . . A 17 PRO HA . 30453 1
87 . 1 1 17 17 PRO HB2 H 1 1.748 0.01 . . . . . . A 17 PRO HB2 . 30453 1
88 . 1 1 17 17 PRO HB3 H 1 2.131 0.01 . . . . . . A 17 PRO HB3 . 30453 1
89 . 1 1 17 17 PRO HG2 H 1 1.992 0.01 . . . . . . A 17 PRO HG2 . 30453 1
90 . 1 1 17 17 PRO HG3 H 1 1.992 0.01 . . . . . . A 17 PRO HG3 . 30453 1
91 . 1 1 17 17 PRO HD2 H 1 3.692 0.01 . . . . . . A 17 PRO HD2 . 30453 1
92 . 1 1 17 17 PRO HD3 H 1 3.846 0.01 . . . . . . A 17 PRO HD3 . 30453 1
93 . 1 1 18 18 PRO HA H 1 2.559 0.01 . 1 . . . . A 18 PRO HA . 30453 1
94 . 1 1 18 18 PRO HB2 H 1 1.316 0.01 . . . . . . A 18 PRO HB2 . 30453 1
95 . 1 1 18 18 PRO HB3 H 1 0.444 0.01 . . . . . . A 18 PRO HB3 . 30453 1
96 . 1 1 18 18 PRO HG2 H 1 1.683 0.01 . . . . . . A 18 PRO HG2 . 30453 1
97 . 1 1 18 18 PRO HG3 H 1 1.733 0.01 . . . . . . A 18 PRO HG3 . 30453 1
98 . 1 1 18 18 PRO HD2 H 1 3.479 0.01 . . . . . . A 18 PRO HD2 . 30453 1
99 . 1 1 18 18 PRO HD3 H 1 3.479 0.01 . . . . . . A 18 PRO HD3 . 30453 1
100 . 1 1 19 19 PRO HA H 1 4.352 0.01 . 1 . . . . A 19 PRO HA . 30453 1
101 . 1 1 19 19 PRO HB2 H 1 2.249 0.01 . . . . . . A 19 PRO HB2 . 30453 1
102 . 1 1 19 19 PRO HB3 H 1 2.249 0.01 . . . . . . A 19 PRO HB3 . 30453 1
103 . 1 1 19 19 PRO HG2 H 1 1.839 0.01 . . . . . . A 19 PRO HG2 . 30453 1
104 . 1 1 19 19 PRO HG3 H 1 1.839 0.01 . . . . . . A 19 PRO HG3 . 30453 1
105 . 1 1 19 19 PRO HD2 H 1 2.915 0.01 . . . . . . A 19 PRO HD2 . 30453 1
106 . 1 1 19 19 PRO HD3 H 1 3.171 0.01 . . . . . . A 19 PRO HD3 . 30453 1
107 . 1 1 20 20 SER HA H 1 4.287 0.01 . 1 . . . . A 20 SER HA . 30453 1
108 . 1 1 20 20 SER HB2 H 1 3.820 0.01 . . . . . . A 20 SER HB2 . 30453 1
109 . 1 1 20 20 SER HB3 H 1 3.820 0.01 . . . . . . A 20 SER HB3 . 30453 1
110 . 1 1 21 21 NH2 HN1 H 1 8.381 0.02 . 1 . . . . A 21 NH2 HN2 . 30453 1
stop_
save_