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 20049
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $pH_5.3_278_K
_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' . . . 20049 1
2 '2D 1H-13C HSQC' . . . 20049 1
3 '2D 1H-1H TOCSY' . . . 20049 1
5 '2D 1H-1H NOESY' . . . 20049 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 1 1 ALA HA H 1 4.06 0.02 . 1 . . . . 1 ALA HA . 20049 1
2 . 1 1 1 1 ALA HB1 H 1 1.50 0.02 . 1 . . . . 1 ALA MB . 20049 1
3 . 1 1 1 1 ALA HB2 H 1 1.50 0.02 . 1 . . . . 1 ALA MB . 20049 1
4 . 1 1 1 1 ALA HB3 H 1 1.50 0.02 . 1 . . . . 1 ALA MB . 20049 1
5 . 1 1 1 1 ALA CA C 13 51.8 0.5 . 1 . . . . 1 ALA CA . 20049 1
6 . 1 1 2 2 CYS H H 1 8.93 0.02 . 1 . . . . 2 CYS H . 20049 1
7 . 1 1 2 2 CYS HA H 1 4.58 0.02 . 1 . . . . 2 CYS HA . 20049 1
8 . 1 1 2 2 CYS HB2 H 1 3.09 0.02 . 2 . . . . 2 CYS HB2 . 20049 1
9 . 1 1 2 2 CYS HB3 H 1 2.99 0.02 . 2 . . . . 2 CYS HB3 . 20049 1
10 . 1 1 2 2 CYS CA C 13 56.3 0.5 . 1 . . . . 2 CYS CA . 20049 1
11 . 1 1 3 3 ASN H H 1 8.92 0.02 . 1 . . . . 3 ASN H . 20049 1
12 . 1 1 3 3 ASN HA H 1 4.81 0.02 . 1 . . . . 3 ASN HA . 20049 1
13 . 1 1 3 3 ASN HB2 H 1 3.01 0.02 . 2 . . . . 3 ASN HB2 . 20049 1
14 . 1 1 3 3 ASN HB3 H 1 2.79 0.02 . 2 . . . . 3 ASN HB3 . 20049 1
15 . 1 1 3 3 ASN HD21 H 1 7.86 0.02 . 2 . . . . 3 ASN HD21 . 20049 1
16 . 1 1 3 3 ASN HD22 H 1 7.17 0.02 . 2 . . . . 3 ASN HD22 . 20049 1
17 . 1 1 3 3 ASN CA C 13 52.9 0.5 . 1 . . . . 3 ASN CA . 20049 1
18 . 1 1 4 4 CYS H H 1 8.91 0.02 . 1 . . . . 4 CYS H . 20049 1
19 . 1 1 4 4 CYS HA H 1 4.96 0.02 . 1 . . . . 4 CYS HA . 20049 1
20 . 1 1 4 4 CYS HB2 H 1 3.44 0.02 . 2 . . . . 4 CYS HB2 . 20049 1
21 . 1 1 4 4 CYS HB3 H 1 2.63 0.02 . 2 . . . . 4 CYS HB3 . 20049 1
22 . 1 1 5 5 SER H H 1 8.23 0.02 . 1 . . . . 5 SER H . 20049 1
23 . 1 1 5 5 SER HA H 1 4.31 0.02 . 1 . . . . 5 SER HA . 20049 1
24 . 1 1 5 5 SER HB2 H 1 4.09 0.02 . 2 . . . . 5 SER HB2 . 20049 1
25 . 1 1 5 5 SER HB3 H 1 4.00 0.02 . 2 . . . . 5 SER HB3 . 20049 1
26 . 1 1 5 5 SER HG H 1 6.15 0.02 . 1 . . . . 5 SER HG . 20049 1
27 . 1 1 5 5 SER CA C 13 60.7 0.5 . 1 . . . . 5 SER CA . 20049 1
28 . 1 1 5 5 SER N N 15 116.5 0.5 . 5 . . . . 5 SER N . 20049 1
29 . 1 1 6 6 SER H H 1 7.72 0.02 . 1 . . . . 6 SER H . 20049 1
30 . 1 1 6 6 SER HA H 1 4.83 0.02 . 1 . . . . 6 SER HA . 20049 1
31 . 1 1 6 6 SER HB2 H 1 4.33 0.02 . 2 . . . . 6 SER HB2 . 20049 1
32 . 1 1 6 6 SER HB3 H 1 4.02 0.02 . 2 . . . . 6 SER HB3 . 20049 1
33 . 1 1 6 6 SER HG H 1 6.31 0.02 . 1 . . . . 6 SER HG . 20049 1
34 . 1 1 6 6 SER CA C 13 56.2 0.5 . 1 . . . . 6 SER CA . 20049 1
35 . 1 1 6 6 SER N N 15 115.4 0.5 . 1 . . . . 6 SER N . 20049 1
36 . 1 1 7 7 LYS H H 1 9.13 0.02 . 1 . . . . 7 LYS H . 20049 1
37 . 1 1 7 7 LYS HA H 1 3.90 0.02 . 1 . . . . 7 LYS HA . 20049 1
38 . 1 1 7 7 LYS HB2 H 1 1.89 0.02 . 2 . . . . 7 LYS HB2 . 20049 1
39 . 1 1 7 7 LYS HB3 H 1 1.89 0.02 . 2 . . . . 7 LYS HB3 . 20049 1
40 . 1 1 7 7 LYS HD2 H 1 1.78 0.02 . 2 . . . . 7 LYS HD2 . 20049 1
41 . 1 1 7 7 LYS HD3 H 1 1.65 0.02 . 2 . . . . 7 LYS HD3 . 20049 1
42 . 1 1 7 7 LYS HE2 H 1 3.05 0.02 . 2 . . . . 7 LYS HE2 . 20049 1
43 . 1 1 7 7 LYS HE3 H 1 3.05 0.02 . 2 . . . . 7 LYS HE3 . 20049 1
44 . 1 1 7 7 LYS HG2 H 1 1.45 0.02 . 2 . . . . 7 LYS HG2 . 20049 1
45 . 1 1 7 7 LYS HG3 H 1 1.45 0.02 . 2 . . . . 7 LYS HG3 . 20049 1
46 . 1 1 7 7 LYS HZ1 H 1 7.81 0.02 . 1 . . . . 7 LYS QZ . 20049 1
47 . 1 1 7 7 LYS HZ2 H 1 7.81 0.02 . 1 . . . . 7 LYS QZ . 20049 1
48 . 1 1 7 7 LYS HZ3 H 1 7.81 0.02 . 1 . . . . 7 LYS QZ . 20049 1
49 . 1 1 7 7 LYS CA C 13 59.7 0.02 . 1 . . . . 7 LYS CA . 20049 1
50 . 1 1 7 7 LYS N N 15 124.9 0.02 . 1 . . . . 7 LYS N . 20049 1
51 . 1 1 8 8 TRP H H 1 8.80 0.02 . 1 . . . . 8 TRP H . 20049 1
52 . 1 1 8 8 TRP HA H 1 4.34 0.02 . 1 . . . . 8 TRP HA . 20049 1
53 . 1 1 8 8 TRP HB2 H 1 3.44 0.02 . 2 . . . . 8 TRP HB2 . 20049 1
54 . 1 1 8 8 TRP HB3 H 1 3.15 0.02 . 2 . . . . 8 TRP HB3 . 20049 1
55 . 1 1 8 8 TRP HD1 H 1 7.14 0.02 . 1 . . . . 8 TRP HD1 . 20049 1
56 . 1 1 8 8 TRP HE1 H 1 10.04 0.02 . 1 . . . . 8 TRP HE1 . 20049 1
57 . 1 1 8 8 TRP HE3 H 1 7.48 0.02 . 1 . . . . 8 TRP HE3 . 20049 1
58 . 1 1 8 8 TRP CA C 13 61.9 0.5 . 1 . . . . 8 TRP CA . 20049 1
59 . 1 1 8 8 TRP N N 15 117.7 0.5 . 1 . . . . 8 TRP N . 20049 1
60 . 1 1 9 9 ALA H H 1 8.30 0.02 . 1 . . . . 9 ALA H . 20049 1
61 . 1 1 9 9 ALA HA H 1 4.14 0.02 . 1 . . . . 9 ALA HA . 20049 1
62 . 1 1 9 9 ALA HB1 H 1 1.68 0.02 . 1 . . . . 9 ALA MB . 20049 1
63 . 1 1 9 9 ALA HB2 H 1 1.68 0.02 . 1 . . . . 9 ALA MB . 20049 1
64 . 1 1 9 9 ALA HB3 H 1 1.68 0.02 . 1 . . . . 9 ALA MB . 20049 1
65 . 1 1 9 9 ALA CA C 13 55.5 0.5 . 1 . . . . 9 ALA CA . 20049 1
66 . 1 1 9 9 ALA N N 15 122.5 0.5 . 1 . . . . 9 ALA N . 20049 1
67 . 1 1 10 10 ARG H H 1 8.26 0.02 . 1 . . . . 10 ARG H . 20049 1
68 . 1 1 10 10 ARG HA H 1 3.99 0.02 . 1 . . . . 10 ARG HA . 20049 1
69 . 1 1 10 10 ARG HB2 H 1 2.00 0.02 . 2 . . . . 10 ARG HB2 . 20049 1
70 . 1 1 10 10 ARG HB3 H 1 1.84 0.02 . 2 . . . . 10 ARG HB3 . 20049 1
71 . 1 1 10 10 ARG HD2 H 1 3.43 0.02 . 2 . . . . 10 ARG HD2 . 20049 1
72 . 1 1 10 10 ARG HD3 H 1 3.20 0.02 . 2 . . . . 10 ARG HD3 . 20049 1
73 . 1 1 10 10 ARG HE H 1 7.47 0.02 . 1 . . . . 10 ARG HE . 20049 1
74 . 1 1 10 10 ARG HG2 H 1 1.93 0.02 . 2 . . . . 10 ARG HG2 . 20049 1
75 . 1 1 10 10 ARG HG3 H 1 1.62 0.02 . 2 . . . . 10 ARG HG3 . 20049 1
76 . 1 1 10 10 ARG CA C 13 60.2 0.5 . 1 . . . . 10 ARG CA . 20049 1
77 . 1 1 10 10 ARG N N 15 118.0 0.5 . 1 . . . . 10 ARG N . 20049 1
78 . 1 1 11 11 ASP H H 1 8.24 0.02 . 1 . . . . 11 ASP H . 20049 1
79 . 1 1 11 11 ASP HA H 1 4.33 0.02 . 1 . . . . 11 ASP HA . 20049 1
80 . 1 1 11 11 ASP HB2 H 1 2.34 0.02 . 2 . . . . 11 ASP HB2 . 20049 1
81 . 1 1 11 11 ASP HB3 H 1 2.00 0.02 . 2 . . . . 11 ASP HB3 . 20049 1
82 . 1 1 11 11 ASP CA C 13 55.5 0.5 . 1 . . . . 11 ASP CA . 20049 1
83 . 1 1 11 11 ASP N N 15 116.5 0.5 . 5 . . . . 11 ASP N . 20049 1
84 . 1 1 12 12 HIS H H 1 7.64 0.02 . 1 . . . . 12 HIS H . 20049 1
85 . 1 1 12 12 HIS HA H 1 4.49 0.02 . 1 . . . . 12 HIS HA . 20049 1
86 . 1 1 12 12 HIS HB2 H 1 3.03 0.02 . 2 . . . . 12 HIS HB2 . 20049 1
87 . 1 1 12 12 HIS HB3 H 1 2.03 0.02 . 2 . . . . 12 HIS HB3 . 20049 1
88 . 1 1 12 12 HIS HD2 H 1 6.75 0.02 . 1 . . . . 12 HIS HD2 . 20049 1
89 . 1 1 12 12 HIS HE1 H 1 7.76 0.02 . 1 . . . . 12 HIS HE1 . 20049 1
90 . 1 1 12 12 HIS CA C 13 57.2 0.5 . 1 . . . . 12 HIS CA . 20049 1
91 . 1 1 12 12 HIS N N 15 114.2 0.5 . 1 . . . . 12 HIS N . 20049 1
92 . 1 1 13 13 SER H H 1 8.51 0.02 . 1 . . . . 13 SER H . 20049 1
93 . 1 1 13 13 SER HA H 1 4.75 0.02 . 1 . . . . 13 SER HA . 20049 1
94 . 1 1 13 13 SER HB2 H 1 4.11 0.02 . 2 . . . . 13 SER HB2 . 20049 1
95 . 1 1 13 13 SER HB3 H 1 4.11 0.02 . 2 . . . . 13 SER HB3 . 20049 1
96 . 1 1 13 13 SER HG H 1 6.01 0.02 . 1 . . . . 13 SER HG . 20049 1
97 . 1 1 13 13 SER CA C 13 57.9 0.5 . 1 . . . . 13 SER CA . 20049 1
98 . 1 1 13 13 SER N N 15 117.1 0.5 . 1 . . . . 13 SER N . 20049 1
99 . 1 1 14 14 ARG H H 1 9.32 0.02 . 1 . . . . 14 ARG H . 20049 1
100 . 1 1 14 14 ARG HA H 1 4.09 0.02 . 1 . . . . 14 ARG HA . 20049 1
101 . 1 1 14 14 ARG HB2 H 1 1.88 0.02 . 2 . . . . 14 ARG HB2 . 20049 1
102 . 1 1 14 14 ARG HB3 H 1 1.88 0.02 . 2 . . . . 14 ARG HB3 . 20049 1
103 . 1 1 14 14 ARG HD2 H 1 3.21 0.02 . 2 . . . . 14 ARG HD2 . 20049 1
104 . 1 1 14 14 ARG HD3 H 1 3.21 0.02 . 2 . . . . 14 ARG HD3 . 20049 1
105 . 1 1 14 14 ARG HE H 1 7.26 0.02 . 1 . . . . 14 ARG HE . 20049 1
106 . 1 1 14 14 ARG HG2 H 1 1.69 0.02 . 2 . . . . 14 ARG HG2 . 20049 1
107 . 1 1 14 14 ARG HG3 H 1 1.69 0.02 . 2 . . . . 14 ARG HG3 . 20049 1
108 . 1 1 14 14 ARG CA C 13 58.6 0.5 . 1 . . . . 14 ARG CA . 20049 1
109 . 1 1 14 14 ARG N N 15 130.1 0.5 . 1 . . . . 14 ARG N . 20049 1
110 . 1 1 15 15 CYS H H 1 8.71 0.02 . 1 . . . . 15 CYS H . 20049 1
111 . 1 1 15 15 CYS HA H 1 4.59 0.02 . 1 . . . . 15 CYS HA . 20049 1
112 . 1 1 15 15 CYS HB2 H 1 3.45 0.02 . 2 . . . . 15 CYS HB2 . 20049 1
113 . 1 1 15 15 CYS HB3 H 1 3.19 0.02 . 2 . . . . 15 CYS HB3 . 20049 1
114 . 1 1 15 15 CYS CA C 13 57.2 0.5 . 1 . . . . 15 CYS CA . 20049 1
115 . 1 1 15 15 CYS N N 15 115.0 0.5 . 1 . . . . 15 CYS N . 20049 1
116 . 1 1 16 16 CYS H H 1 7.76 0.02 . 1 . . . . 16 CYS H . 20049 1
117 . 1 1 16 16 CYS HA H 1 4.55 0.02 . 1 . . . . 16 CYS HA . 20049 1
118 . 1 1 16 16 CYS HB2 H 1 3.27 0.02 . 2 . . . . 16 CYS HB2 . 20049 1
119 . 1 1 16 16 CYS HB3 H 1 3.04 0.02 . 2 . . . . 16 CYS HB3 . 20049 1
120 . 1 1 16 16 CYS CA C 13 55.9 0.5 . 1 . . . . 16 CYS CA . 20049 1
121 . 1 1 16 16 CYS N N 15 121.8 0.5 . 1 . . . . 16 CYS N . 20049 1
stop_
save_