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 27485
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err 0.01
_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 TOCSY' . . . 27485 1
2 '2D 1H-1H NOESY' . . . 27485 1
3 '2D 1H-15N HSQC' . . . 27485 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
1 $CcpNmr_Analysis . . 27485 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 1 1 GLY HA2 H 1 3.935 0.002 . 2 . . . . . 1 GLY HA2 . 27485 1
2 . 1 1 1 1 GLY HA3 H 1 3.935 0.002 . 2 . . . . . 1 GLY HA3 . 27485 1
3 . 1 1 2 2 CYS H H 1 8.990 0.000 . 1 . . . . . 2 CYS H . 27485 1
4 . 1 1 2 2 CYS HA H 1 4.556 0.002 . 1 . . . . . 2 CYS HA . 27485 1
5 . 1 1 2 2 CYS HB2 H 1 3.238 0.002 . 2 . . . . . 2 CYS HB2 . 27485 1
6 . 1 1 2 2 CYS HB3 H 1 2.640 0.002 . 2 . . . . . 2 CYS HB3 . 27485 1
7 . 1 1 2 2 CYS N N 15 120.057 0.000 . 1 . . . . . 2 CYS N . 27485 1
8 . 1 1 3 3 CYS H H 1 8.671 0.002 . 1 . . . . . 3 CYS H . 27485 1
9 . 1 1 3 3 CYS HA H 1 4.478 0.002 . 1 . . . . . 3 CYS HA . 27485 1
10 . 1 1 3 3 CYS HB2 H 1 3.347 0.005 . 2 . . . . . 3 CYS HB2 . 27485 1
11 . 1 1 3 3 CYS HB3 H 1 2.786 0.002 . 2 . . . . . 3 CYS HB3 . 27485 1
12 . 1 1 3 3 CYS N N 15 112.027 0.000 . 1 . . . . . 3 CYS N . 27485 1
13 . 1 1 4 4 SER H H 1 7.832 0.002 . 1 . . . . . 4 SER H . 27485 1
14 . 1 1 4 4 SER HA H 1 4.485 0.002 . 1 . . . . . 4 SER HA . 27485 1
15 . 1 1 4 4 SER HB2 H 1 3.792 0.008 . 2 . . . . . 4 SER HB2 . 27485 1
16 . 1 1 4 4 SER HB3 H 1 3.792 0.008 . 2 . . . . . 4 SER HB3 . 27485 1
17 . 1 1 4 4 SER N N 15 114.215 0.000 . 1 . . . . . 4 SER N . 27485 1
18 . 1 1 5 5 HIS H H 1 8.170 0.003 . 1 . . . . . 5 HIS H . 27485 1
19 . 1 1 5 5 HIS HA H 1 5.282 0.002 . 1 . . . . . 5 HIS HA . 27485 1
20 . 1 1 5 5 HIS HB2 H 1 3.345 0.001 . 2 . . . . . 5 HIS HB2 . 27485 1
21 . 1 1 5 5 HIS HB3 H 1 3.345 0.001 . 2 . . . . . 5 HIS HB3 . 27485 1
22 . 1 1 5 5 HIS HD2 H 1 7.424 0.001 . 1 . . . . . 5 HIS HD2 . 27485 1
23 . 1 1 5 5 HIS HE1 H 1 8.655 0.000 . 1 . . . . . 5 HIS HE1 . 27485 1
24 . 1 1 5 5 HIS N N 15 120.496 0.000 . 1 . . . . . 5 HIS N . 27485 1
25 . 1 1 6 6 PRO HA H 1 4.458 0.001 . 1 . . . . . 6 PRO HA . 27485 1
26 . 1 1 6 6 PRO HB2 H 1 2.414 0.002 . 2 . . . . . 6 PRO HB2 . 27485 1
27 . 1 1 6 6 PRO HB3 H 1 2.187 0.000 . 2 . . . . . 6 PRO HB3 . 27485 1
28 . 1 1 6 6 PRO HG2 H 1 2.029 0.002 . 2 . . . . . 6 PRO HG2 . 27485 1
29 . 1 1 6 6 PRO HG3 H 1 1.989 0.005 . 2 . . . . . 6 PRO HG3 . 27485 1
30 . 1 1 6 6 PRO HD2 H 1 4.011 0.010 . 2 . . . . . 6 PRO HD2 . 27485 1
31 . 1 1 6 6 PRO HD3 H 1 4.013 0.011 . 2 . . . . . 6 PRO HD3 . 27485 1
32 . 1 1 7 7 ALA H H 1 8.534 0.004 . 1 . . . . . 7 ALA H . 27485 1
33 . 1 1 7 7 ALA HA H 1 4.169 0.003 . 1 . . . . . 7 ALA HA . 27485 1
34 . 1 1 7 7 ALA HB1 H 1 1.398 0.001 . 1 . . . . . 7 ALA QB . 27485 1
35 . 1 1 7 7 ALA HB2 H 1 1.398 0.001 . 1 . . . . . 7 ALA QB . 27485 1
36 . 1 1 7 7 ALA HB3 H 1 1.398 0.001 . 1 . . . . . 7 ALA QB . 27485 1
37 . 1 1 7 7 ALA N N 15 116.821 0.000 . 1 . . . . . 7 ALA N . 27485 1
38 . 1 1 8 8 CYS H H 1 7.968 0.001 . 1 . . . . . 8 CYS H . 27485 1
39 . 1 1 8 8 CYS HA H 1 4.691 0.003 . 1 . . . . . 8 CYS HA . 27485 1
40 . 1 1 8 8 CYS HB2 H 1 4.132 0.007 . 2 . . . . . 8 CYS HB2 . 27485 1
41 . 1 1 8 8 CYS HB3 H 1 3.334 0.007 . 2 . . . . . 8 CYS HB3 . 27485 1
42 . 1 1 8 8 CYS N N 15 115.914 0.000 . 1 . . . . . 8 CYS N . 27485 1
43 . 1 1 9 9 SER H H 1 8.939 0.001 . 1 . . . . . 9 SER H . 27485 1
44 . 1 1 9 9 SER HA H 1 4.172 0.003 . 1 . . . . . 9 SER HA . 27485 1
45 . 1 1 9 9 SER HB2 H 1 3.995 0.001 . 2 . . . . . 9 SER HB2 . 27485 1
46 . 1 1 9 9 SER HB3 H 1 3.995 0.001 . 2 . . . . . 9 SER HB3 . 27485 1
47 . 1 1 9 9 SER N N 15 119.355 0.000 . 1 . . . . . 9 SER N . 27485 1
48 . 1 1 10 10 VAL H H 1 7.906 0.001 . 1 . . . . . 10 VAL H . 27485 1
49 . 1 1 10 10 VAL HA H 1 4.002 0.002 . 1 . . . . . 10 VAL HA . 27485 1
50 . 1 1 10 10 VAL HB H 1 2.220 0.003 . 1 . . . . . 10 VAL HB . 27485 1
51 . 1 1 10 10 VAL HG11 H 1 1.022 0.002 . 2 . . . . . 10 VAL QG1 . 27485 1
52 . 1 1 10 10 VAL HG12 H 1 1.022 0.002 . 2 . . . . . 10 VAL QG1 . 27485 1
53 . 1 1 10 10 VAL HG13 H 1 1.022 0.002 . 2 . . . . . 10 VAL QG1 . 27485 1
54 . 1 1 10 10 VAL HG21 H 1 0.948 0.008 . 2 . . . . . 10 VAL QG2 . 27485 1
55 . 1 1 10 10 VAL HG22 H 1 0.948 0.008 . 2 . . . . . 10 VAL QG2 . 27485 1
56 . 1 1 10 10 VAL HG23 H 1 0.948 0.008 . 2 . . . . . 10 VAL QG2 . 27485 1
57 . 1 1 10 10 VAL N N 15 119.572 0.000 . 1 . . . . . 10 VAL N . 27485 1
58 . 1 1 11 11 ASN H H 1 7.331 0.004 . 1 . . . . . 11 ASN H . 27485 1
59 . 1 1 11 11 ASN HA H 1 4.910 0.012 . 1 . . . . . 11 ASN HA . 27485 1
60 . 1 1 11 11 ASN HB2 H 1 2.755 0.011 . 2 . . . . . 11 ASN HB2 . 27485 1
61 . 1 1 11 11 ASN HB3 H 1 2.750 0.010 . 2 . . . . . 11 ASN HB3 . 27485 1
62 . 1 1 11 11 ASN HD21 H 1 7.609 0.004 . 2 . . . . . 11 ASN HD21 . 27485 1
63 . 1 1 11 11 ASN HD22 H 1 6.919 0.002 . 2 . . . . . 11 ASN HD22 . 27485 1
64 . 1 1 11 11 ASN N N 15 116.635 0.000 . 1 . . . . . 11 ASN N . 27485 1
65 . 1 1 11 11 ASN ND2 N 15 112.956 0.002 . 1 . . . . . 11 ASN ND2 . 27485 1
66 . 1 1 12 12 HIS H H 1 7.926 0.004 . 1 . . . . . 12 HIS H . 27485 1
67 . 1 1 12 12 HIS HA H 1 4.921 0.013 . 1 . . . . . 12 HIS HA . 27485 1
68 . 1 1 12 12 HIS HB2 H 1 3.467 0.005 . 2 . . . . . 12 HIS HB2 . 27485 1
69 . 1 1 12 12 HIS HB3 H 1 2.927 0.007 . 2 . . . . . 12 HIS HB3 . 27485 1
70 . 1 1 12 12 HIS HD2 H 1 7.501 0.001 . 1 . . . . . 12 HIS HD2 . 27485 1
71 . 1 1 12 12 HIS HE1 H 1 8.720 0.000 . 1 . . . . . 12 HIS HE1 . 27485 1
72 . 1 1 12 12 HIS N N 15 119.902 0.000 . 1 . . . . . 12 HIS N . 27485 1
73 . 1 1 13 13 ALA H H 1 8.509 0.002 . 1 . . . . . 13 ALA H . 27485 1
74 . 1 1 13 13 ALA HA H 1 4.144 0.001 . 1 . . . . . 13 ALA HA . 27485 1
75 . 1 1 13 13 ALA HB1 H 1 1.436 0.002 . 1 . . . . . 13 ALA QB . 27485 1
76 . 1 1 13 13 ALA HB2 H 1 1.436 0.002 . 1 . . . . . 13 ALA QB . 27485 1
77 . 1 1 13 13 ALA HB3 H 1 1.436 0.002 . 1 . . . . . 13 ALA QB . 27485 1
78 . 1 1 13 13 ALA N N 15 124.158 0.000 . 1 . . . . . 13 ALA N . 27485 1
79 . 1 1 14 14 GLU H H 1 8.547 0.003 . 1 . . . . . 14 GLU H . 27485 1
80 . 1 1 14 14 GLU HA H 1 4.167 0.001 . 1 . . . . . 14 GLU HA . 27485 1
81 . 1 1 14 14 GLU HB2 H 1 2.118 0.004 . 2 . . . . . 14 GLU HB2 . 27485 1
82 . 1 1 14 14 GLU HB3 H 1 2.118 0.004 . 2 . . . . . 14 GLU HB3 . 27485 1
83 . 1 1 14 14 GLU HG2 H 1 2.545 0.007 . 2 . . . . . 14 GLU HG2 . 27485 1
84 . 1 1 14 14 GLU HG3 H 1 2.491 0.004 . 2 . . . . . 14 GLU HG3 . 27485 1
85 . 1 1 14 14 GLU N N 15 116.844 0.000 . 1 . . . . . 14 GLU N . 27485 1
86 . 1 1 15 15 LEU H H 1 7.826 0.001 . 1 . . . . . 15 LEU H . 27485 1
87 . 1 1 15 15 LEU HA H 1 4.287 0.002 . 1 . . . . . 15 LEU HA . 27485 1
88 . 1 1 15 15 LEU HB2 H 1 1.882 0.003 . 2 . . . . . 15 LEU HB2 . 27485 1
89 . 1 1 15 15 LEU HB3 H 1 1.734 0.004 . 2 . . . . . 15 LEU HB3 . 27485 1
90 . 1 1 15 15 LEU HG H 1 1.540 0.004 . 1 . . . . . 15 LEU HG . 27485 1
91 . 1 1 15 15 LEU HD11 H 1 0.930 0.001 . 2 . . . . . 15 LEU QD1 . 27485 1
92 . 1 1 15 15 LEU HD12 H 1 0.930 0.001 . 2 . . . . . 15 LEU QD1 . 27485 1
93 . 1 1 15 15 LEU HD13 H 1 0.930 0.001 . 2 . . . . . 15 LEU QD1 . 27485 1
94 . 1 1 15 15 LEU HD21 H 1 0.817 0.001 . 2 . . . . . 15 LEU QD2 . 27485 1
95 . 1 1 15 15 LEU HD22 H 1 0.817 0.001 . 2 . . . . . 15 LEU QD2 . 27485 1
96 . 1 1 15 15 LEU HD23 H 1 0.817 0.001 . 2 . . . . . 15 LEU QD2 . 27485 1
97 . 1 1 15 15 LEU N N 15 120.080 0.000 . 1 . . . . . 15 LEU N . 27485 1
98 . 1 1 16 16 CYS H H 1 8.061 0.002 . 1 . . . . . 16 CYS H . 27485 1
99 . 1 1 16 16 CYS HA H 1 4.838 0.008 . 1 . . . . . 16 CYS HA . 27485 1
100 . 1 1 16 16 CYS HB2 H 1 3.408 0.005 . 2 . . . . . 16 CYS HB2 . 27485 1
101 . 1 1 16 16 CYS HB3 H 1 2.726 0.005 . 2 . . . . . 16 CYS HB3 . 27485 1
102 . 1 1 16 16 CYS N N 15 115.557 0.000 . 1 . . . . . 16 CYS N . 27485 1
103 . 1 1 17 17 NH2 HN1 H 1 7.507 0.001 . 2 . . . . . 17 NH2 H1 . 27485 1
104 . 1 1 17 17 NH2 HN2 H 1 7.418 0.001 . 2 . . . . . 17 NH2 H2 . 27485 1
stop_
save_