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 51265
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_chem_shift_list_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
2 '2D 1H-1H TOCSY' . . . 51265 1
3 '2D 1H-1H NOESY' . . . 51265 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
2 $software_3 . . 51265 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 PRO HA H 1 4.422 0.003 . 1 . . . . . 1 PRO HA . 51265 1
2 . 1 . 1 1 1 PRO HB2 H 1 2.490 0.000 . . . . . . . 1 PRO HB2 . 51265 1
3 . 1 . 1 1 1 PRO HB3 H 1 2.490 0.000 . . . . . . . 1 PRO HB3 . 51265 1
4 . 1 . 1 1 1 PRO HG2 H 1 2.024 0.002 . . . . . . . 1 PRO HG2 . 51265 1
5 . 1 . 1 1 1 PRO HG3 H 1 2.024 0.002 . . . . . . . 1 PRO HG3 . 51265 1
6 . 1 . 1 1 1 PRO HD2 H 1 3.429 0.000 . . . . . . . 1 PRO HD2 . 51265 1
7 . 1 . 1 1 1 PRO HD3 H 1 3.429 0.000 . . . . . . . 1 PRO HD3 . 51265 1
8 . 1 . 1 2 2 GLU H H 1 9.085 0.002 . 1 . . . . . 2 GLU H . 51265 1
9 . 1 . 1 2 2 GLU HA H 1 4.293 0.003 . 1 . . . . . 2 GLU HA . 51265 1
10 . 1 . 1 2 2 GLU HB2 H 1 2.120 0.004 . . . . . . . 2 GLU HB2 . 51265 1
11 . 1 . 1 2 2 GLU HB3 H 1 2.120 0.004 . . . . . . . 2 GLU HB3 . 51265 1
12 . 1 . 1 2 2 GLU HG2 H 1 2.491 0.002 . . . . . . . 2 GLU HG2 . 51265 1
13 . 1 . 1 2 2 GLU HG3 H 1 2.491 0.002 . . . . . . . 2 GLU HG3 . 51265 1
14 . 1 . 1 3 3 CYS H H 1 8.877 0.004 . 1 . . . . . 3 CYS H . 51265 1
15 . 1 . 1 3 3 CYS HA H 1 4.557 0.002 . 1 . . . . . 3 CYS HA . 51265 1
16 . 1 . 1 3 3 CYS HB2 H 1 3.261 0.003 . . . . . . . 3 CYS HB2 . 51265 1
17 . 1 . 1 3 3 CYS HB3 H 1 2.501 0.003 . . . . . . . 3 CYS HB3 . 51265 1
18 . 1 . 1 4 4 CYS H H 1 7.999 0.002 . 1 . . . . . 4 CYS H . 51265 1
19 . 1 . 1 4 4 CYS HA H 1 4.298 0.001 . 1 . . . . . 4 CYS HA . 51265 1
20 . 1 . 1 4 4 CYS HB2 H 1 3.314 0.005 . . . . . . . 4 CYS HB2 . 51265 1
21 . 1 . 1 4 4 CYS HB3 H 1 2.953 0.004 . . . . . . . 4 CYS HB3 . 51265 1
22 . 1 . 1 5 5 THR H H 1 7.810 0.002 . 1 . . . . . 5 THR H . 51265 1
23 . 1 . 1 5 5 THR HA H 1 4.390 0.007 . 1 . . . . . 5 THR HA . 51265 1
24 . 1 . 1 5 5 THR HB H 1 4.314 0.005 . 1 . . . . . 5 THR HB . 51265 1
25 . 1 . 1 5 5 THR HG21 H 1 1.168 0.002 . 1 . . . . . 5 THR HG1 . 51265 1
26 . 1 . 1 5 5 THR HG22 H 1 1.168 0.002 . 1 . . . . . 5 THR HG1 . 51265 1
27 . 1 . 1 5 5 THR HG23 H 1 1.168 0.002 . 1 . . . . . 5 THR HG1 . 51265 1
28 . 1 . 1 6 6 HIS H H 1 8.058 0.004 . 1 . . . . . 6 HIS H . 51265 1
29 . 1 . 1 6 6 HIS HA H 1 5.319 0.003 . 1 . . . . . 6 HIS HA . 51265 1
30 . 1 . 1 6 6 HIS HB2 H 1 3.400 0.004 . 1 . . . . . 6 HIS HB2 . 51265 1
31 . 1 . 1 6 6 HIS HB3 H 1 3.400 0.004 . 1 . . . . . 6 HIS HB3 . 51265 1
32 . 1 . 1 6 6 HIS HD2 H 1 7.387 0.003 . 1 . . . . . 6 HIS HD2 . 51265 1
33 . 1 . 1 6 6 HIS HE1 H 1 8.626 0.005 . 1 . . . . . 6 HIS HE1 . 51265 1
34 . 1 . 1 7 7 PRO HA H 1 4.296 0.002 . 1 . . . . . 7 PRO HA . 51265 1
35 . 1 . 1 7 7 PRO HB2 H 1 2.419 0.004 . . . . . . . 7 PRO HB2 . 51265 1
36 . 1 . 1 7 7 PRO HB3 H 1 2.222 0.007 . . . . . . . 7 PRO HB3 . 51265 1
37 . 1 . 1 7 7 PRO HG2 H 1 2.044 0.005 . . . . . . . 7 PRO HG2 . 51265 1
38 . 1 . 1 7 7 PRO HG3 H 1 2.044 0.005 . . . . . . . 7 PRO HG3 . 51265 1
39 . 1 . 1 7 7 PRO HD2 H 1 4.117 0.005 . . . . . . . 7 PRO HD2 . 51265 1
40 . 1 . 1 7 7 PRO HD3 H 1 3.977 0.006 . . . . . . . 7 PRO HD3 . 51265 1
41 . 1 . 1 8 8 ALA H H 1 8.683 0.002 . 1 . . . . . 8 ALA H . 51265 1
42 . 1 . 1 8 8 ALA HA H 1 4.204 0.005 . 1 . . . . . 8 ALA HA . 51265 1
43 . 1 . 1 8 8 ALA HB1 H 1 1.434 0.002 . 1 . . . . . 8 ALA MB . 51265 1
44 . 1 . 1 8 8 ALA HB2 H 1 1.434 0.002 . 1 . . . . . 8 ALA MB . 51265 1
45 . 1 . 1 8 8 ALA HB3 H 1 1.434 0.002 . 1 . . . . . 8 ALA MB . 51265 1
46 . 1 . 1 9 9 CYS H H 1 7.651 0.005 . 1 . . . . . 9 CYS H . 51265 1
47 . 1 . 1 9 9 CYS HA H 1 4.224 0.005 . 1 . . . . . 9 CYS HA . 51265 1
48 . 1 . 1 9 9 CYS HB2 H 1 3.306 0.002 . . . . . . . 9 CYS HB2 . 51265 1
49 . 1 . 1 9 9 CYS HB3 H 1 3.306 0.002 . . . . . . . 9 CYS HB3 . 51265 1
50 . 1 . 1 10 10 HIS H H 1 8.820 0.003 . 1 . . . . . 10 HIS H . 51265 1
51 . 1 . 1 10 10 HIS HA H 1 4.388 0.007 . 1 . . . . . 10 HIS HA . 51265 1
52 . 1 . 1 10 10 HIS HB2 H 1 3.549 0.004 . . . . . . . 10 HIS HB2 . 51265 1
53 . 1 . 1 10 10 HIS HB3 H 1 3.321 0.004 . . . . . . . 10 HIS HB3 . 51265 1
54 . 1 . 1 10 10 HIS HD2 H 1 7.244 0.002 . 1 . . . . . 10 HIS HD2 . 51265 1
55 . 1 . 1 10 10 HIS HE1 H 1 8.730 0.005 . 1 . . . . . 10 HIS HE1 . 51265 1
56 . 1 . 1 11 11 VAL H H 1 8.276 0.002 . 1 . . . . . 11 VAL H . 51265 1
57 . 1 . 1 11 11 VAL HA H 1 3.970 0.003 . 1 . . . . . 11 VAL HA . 51265 1
58 . 1 . 1 11 11 VAL HB H 1 2.210 0.004 . 1 . . . . . 11 VAL HB . 51265 1
59 . 1 . 1 11 11 VAL HG11 H 1 1.065 0.005 . . . . . . . 11 VAL MG1 . 51265 1
60 . 1 . 1 11 11 VAL HG12 H 1 1.065 0.005 . . . . . . . 11 VAL MG1 . 51265 1
61 . 1 . 1 11 11 VAL HG13 H 1 1.065 0.005 . . . . . . . 11 VAL MG1 . 51265 1
62 . 1 . 1 11 11 VAL HG21 H 1 1.005 0.006 . . . . . . . 11 VAL MG2 . 51265 1
63 . 1 . 1 11 11 VAL HG22 H 1 1.005 0.006 . . . . . . . 11 VAL MG2 . 51265 1
64 . 1 . 1 11 11 VAL HG23 H 1 1.005 0.006 . . . . . . . 11 VAL MG2 . 51265 1
65 . 1 . 1 12 12 SER H H 1 7.449 0.006 . 1 . . . . . 12 SER H . 51265 1
66 . 1 . 1 12 12 SER HA H 1 4.449 0.008 . 1 . . . . . 12 SER HA . 51265 1
67 . 1 . 1 12 12 SER HB2 H 1 3.977 0.006 . . . . . . . 12 SER HB2 . 51265 1
68 . 1 . 1 12 12 SER HB3 H 1 3.824 0.008 . . . . . . . 12 SER HB3 . 51265 1
69 . 1 . 1 13 13 HIS H H 1 7.673 0.003 . 1 . . . . . 13 HIS H . 51265 1
70 . 1 . 1 13 13 HIS HA H 1 5.175 0.002 . 1 . . . . . 13 HIS HA . 51265 1
71 . 1 . 1 13 13 HIS HB2 H 1 3.316 0.006 . . . . . . . 13 HIS HB2 . 51265 1
72 . 1 . 1 13 13 HIS HB3 H 1 3.116 0.006 . . . . . . . 13 HIS HB3 . 51265 1
73 . 1 . 1 13 13 HIS HD2 H 1 7.442 0.003 . 1 . . . . . 13 HIS HD2 . 51265 1
74 . 1 . 1 13 13 HIS HE1 H 1 8.663 0.002 . 1 . . . . . 13 HIS HE1 . 51265 1
75 . 1 . 1 14 14 PRO HA H 1 4.362 0.001 . 1 . . . . . 14 PRO HA . 51265 1
76 . 1 . 1 14 14 PRO HB2 H 1 2.351 0.005 . . . . . . . 14 PRO HB2 . 51265 1
77 . 1 . 1 14 14 PRO HB3 H 1 2.351 0.005 . . . . . . . 14 PRO HB3 . 51265 1
78 . 1 . 1 14 14 PRO HG2 H 1 2.053 0.005 . . . . . . . 14 PRO HG2 . 51265 1
79 . 1 . 1 14 14 PRO HG3 H 1 2.053 0.005 . . . . . . . 14 PRO HG3 . 51265 1
80 . 1 . 1 14 14 PRO HD2 H 1 3.619 0.003 . . . . . . . 14 PRO HD2 . 51265 1
81 . 1 . 1 14 14 PRO HD3 H 1 3.457 0.003 . . . . . . . 14 PRO HD3 . 51265 1
82 . 1 . 1 15 15 GLU H H 1 8.564 0.002 . 1 . . . . . 15 GLU H . 51265 1
83 . 1 . 1 15 15 GLU HA H 1 4.272 0.005 . 1 . . . . . 15 GLU HA . 51265 1
84 . 1 . 1 15 15 GLU HB2 H 1 2.122 0.008 . . . . . . . 15 GLU HB2 . 51265 1
85 . 1 . 1 15 15 GLU HB3 H 1 2.122 0.008 . . . . . . . 15 GLU HB3 . 51265 1
86 . 1 . 1 15 15 GLU HG2 H 1 2.568 0.005 . . . . . . . 15 GLU HG2 . 51265 1
87 . 1 . 1 15 15 GLU HG3 H 1 2.498 0.004 . . . . . . . 15 GLU HG3 . 51265 1
88 . 1 . 1 16 16 LEU H H 1 7.631 0.002 . 1 . . . . . 16 LEU H . 51265 1
89 . 1 . 1 16 16 LEU HA H 1 4.318 0.003 . 1 . . . . . 16 LEU HA . 51265 1
90 . 1 . 1 16 16 LEU HB2 H 1 1.786 0.007 . . . . . . . 16 LEU HB2 . 51265 1
91 . 1 . 1 16 16 LEU HB3 H 1 1.786 0.007 . . . . . . . 16 LEU HB3 . 51265 1
92 . 1 . 1 16 16 LEU HG H 1 1.509 0.004 . 1 . . . . . 16 LEU HG . 51265 1
93 . 1 . 1 16 16 LEU HD11 H 1 0.910 0.005 . . . . . . . 16 LEU MD1 . 51265 1
94 . 1 . 1 16 16 LEU HD12 H 1 0.910 0.005 . . . . . . . 16 LEU MD1 . 51265 1
95 . 1 . 1 16 16 LEU HD13 H 1 0.910 0.005 . . . . . . . 16 LEU MD1 . 51265 1
96 . 1 . 1 16 16 LEU HD21 H 1 0.798 0.003 . . . . . . . 16 LEU MD2 . 51265 1
97 . 1 . 1 16 16 LEU HD22 H 1 0.798 0.003 . . . . . . . 16 LEU MD2 . 51265 1
98 . 1 . 1 16 16 LEU HD23 H 1 0.798 0.003 . . . . . . . 16 LEU MD2 . 51265 1
99 . 1 . 1 17 17 CYS H H 1 7.729 0.005 . 1 . . . . . 17 CYS H . 51265 1
100 . 1 . 1 17 17 CYS HA H 1 4.794 0.000 . 1 . . . . . 17 CYS HA . 51265 1
101 . 1 . 1 17 17 CYS HB2 H 1 2.578 0.004 . . . . . . . 17 CYS HB2 . 51265 1
102 . 1 . 1 17 17 CYS HB3 H 1 2.377 0.002 . . . . . . . 17 CYS HB3 . 51265 1
stop_
save_