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 20048
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $pH_4.8_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' . . . 20048 1
2 '2D 1H-13C HSQC' . . . 20048 1
3 '2D 1H-1H TOCSY' . . . 20048 1
5 '2D 1H-1H NOESY' . . . 20048 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 CYS HA H 1 4.54 . . 1 . . . . 1 CYS HA . 20048 1
2 . 1 1 1 1 CYS HB2 H 1 3.39 . . 2 . . . . 1 CYS HB2 . 20048 1
3 . 1 1 1 1 CYS HB3 H 1 3.17 . . 2 . . . . 1 CYS HB3 . 20048 1
4 . 1 1 2 2 CYS H H 1 7.79 . . 1 . . . . 2 CYS H . 20048 1
5 . 1 1 2 2 CYS HA H 1 4.87 . . 1 . . . . 2 CYS HA . 20048 1
6 . 1 1 2 2 CYS HB2 H 1 3.81 . . 2 . . . . 2 CYS HB2 . 20048 1
7 . 1 1 2 2 CYS HB3 H 1 3.10 . . 2 . . . . 2 CYS HB3 . 20048 1
8 . 1 1 2 2 CYS CA C 13 53.6 . . 1 . . . . 2 CYS CA . 20048 1
9 . 1 1 2 2 CYS N N 15 118.3 . . 1 . . . . 2 CYS N . 20048 1
10 . 1 1 3 3 ASN H H 1 8.55 . . 1 . . . . 3 ASN H . 20048 1
11 . 1 1 3 3 ASN HA H 1 4.60 . . 1 . . . . 3 ASN HA . 20048 1
12 . 1 1 3 3 ASN HB2 H 1 3.12 . . 2 . . . . 3 ASN HB2 . 20048 1
13 . 1 1 3 3 ASN HB3 H 1 2.82 . . 2 . . . . 3 ASN HB3 . 20048 1
14 . 1 1 3 3 ASN HD21 H 1 7.84 . . 2 . . . . 3 ASN HD21 . 20048 1
15 . 1 1 3 3 ASN HD22 H 1 7.16 . . 2 . . . . 3 ASN HD22 . 20048 1
16 . 1 1 3 3 ASN CA C 13 53.2 . . 1 . . . . 3 ASN CA . 20048 1
17 . 1 1 3 3 ASN N N 15 115.0 . . 5 . . . . 3 ASN N . 20048 1
18 . 1 1 4 4 CYS H H 1 8.85 . . 1 . . . . 4 CYS H . 20048 1
19 . 1 1 4 4 CYS HA H 1 4.16 . . 1 . . . . 4 CYS HA . 20048 1
20 . 1 1 4 4 CYS HB2 H 1 3.22 . . 2 . . . . 4 CYS HB2 . 20048 1
21 . 1 1 4 4 CYS HB3 H 1 2.91 . . 2 . . . . 4 CYS HB3 . 20048 1
22 . 1 1 4 4 CYS CA C 13 57.7 . . 1 . . . . 4 CYS CA . 20048 1
23 . 1 1 4 4 CYS N N 15 125.9 . . 1 . . . . 4 CYS N . 20048 1
24 . 1 1 5 5 SER H H 1 8.60 . . 1 . . . . 5 SER H . 20048 1
25 . 1 1 5 5 SER HA H 1 4.33 . . 1 . . . . 5 SER HA . 20048 1
26 . 1 1 5 5 SER HB2 H 1 3.94 . . 2 . . . . 5 SER HB2 . 20048 1
27 . 1 1 5 5 SER HB3 H 1 3.94 . . 2 . . . . 5 SER HB3 . 20048 1
28 . 1 1 5 5 SER CA C 13 60.3 . . 1 . . . . 5 SER CA . 20048 1
29 . 1 1 5 5 SER N N 15 116.4 . . 1 . . . . 5 SER N . 20048 1
30 . 1 1 6 6 SER H H 1 8.19 . . 1 . . . . 6 SER H . 20048 1
31 . 1 1 6 6 SER HA H 1 4.76 . . 1 . . . . 6 SER HA . 20048 1
32 . 1 1 6 6 SER HB2 H 1 4.33 . . 2 . . . . 6 SER HB2 . 20048 1
33 . 1 1 6 6 SER HB3 H 1 4.14 . . 2 . . . . 6 SER HB3 . 20048 1
34 . 1 1 6 6 SER HG H 1 6.27 . . 1 . . . . 6 SER HG . 20048 1
35 . 1 1 6 6 SER CA C 13 56.0 . . 1 . . . . 6 SER CA . 20048 1
36 . 1 1 6 6 SER N N 15 117.8 . . 1 . . . . 6 SER N . 20048 1
37 . 1 1 7 7 LYS H H 1 9.26 . . 1 . . . . 7 LYS H . 20048 1
38 . 1 1 7 7 LYS HA H 1 3.73 . . 1 . . . . 7 LYS HA . 20048 1
39 . 1 1 7 7 LYS HB2 H 1 1.91 . . 2 . . . . 7 LYS HB2 . 20048 1
40 . 1 1 7 7 LYS HB3 H 1 1.91 . . 2 . . . . 7 LYS HB3 . 20048 1
41 . 1 1 7 7 LYS HD2 H 1 1.75 . . 2 . . . . 7 LYS HD2 . 20048 1
42 . 1 1 7 7 LYS HD3 H 1 1.67 . . 2 . . . . 7 LYS HD3 . 20048 1
43 . 1 1 7 7 LYS HE2 H 1 3.07 . . 2 . . . . 7 LYS HE2 . 20048 1
44 . 1 1 7 7 LYS HE3 H 1 3.07 . . 2 . . . . 7 LYS HE3 . 20048 1
45 . 1 1 7 7 LYS HG2 H 1 1.44 . . 2 . . . . 7 LYS HG2 . 20048 1
46 . 1 1 7 7 LYS HG3 H 1 1.44 . . 2 . . . . 7 LYS HG3 . 20048 1
47 . 1 1 7 7 LYS HZ1 H 1 7.82 . . 1 . . . . 7 LYS QZ . 20048 1
48 . 1 1 7 7 LYS HZ2 H 1 7.82 . . 1 . . . . 7 LYS QZ . 20048 1
49 . 1 1 7 7 LYS HZ3 H 1 7.82 . . 1 . . . . 7 LYS QZ . 20048 1
50 . 1 1 7 7 LYS CA C 13 60.0 . . 1 . . . . 7 LYS CA . 20048 1
51 . 1 1 7 7 LYS N N 15 132.0 . . 1 . . . . 7 LYS N . 20048 1
52 . 1 1 8 8 TRP H H 1 8.54 . . 1 . . . . 8 TRP H . 20048 1
53 . 1 1 8 8 TRP HA H 1 4.30 . . 1 . . . . 8 TRP HA . 20048 1
54 . 1 1 8 8 TRP HB2 H 1 3.44 . . 2 . . . . 8 TRP HB2 . 20048 1
55 . 1 1 8 8 TRP HB3 H 1 3.13 . . 2 . . . . 8 TRP HB3 . 20048 1
56 . 1 1 8 8 TRP HD1 H 1 7.19 . . 1 . . . . 8 TRP HD1 . 20048 1
57 . 1 1 8 8 TRP HE1 H 1 10.06 . . 1 . . . . 8 TRP HE1 . 20048 1
58 . 1 1 8 8 TRP HE3 H 1 7.52 . . 1 . . . . 8 TRP HE3 . 20048 1
59 . 1 1 8 8 TRP HH2 H 1 7.11 . . 4 . . . . 8 TRP HH2 . 20048 1
60 . 1 1 8 8 TRP HZ2 H 1 7.15 . . 1 . . . . 8 TRP HZ2 . 20048 1
61 . 1 1 8 8 TRP HZ3 H 1 7.10 . . 4 . . . . 8 TRP HZ3 . 20048 1
62 . 1 1 8 8 TRP CA C 13 62.2 . . 1 . . . . 8 TRP CA . 20048 1
63 . 1 1 8 8 TRP N N 15 118.1 . . 5 . . . . 8 TRP N . 20048 1
64 . 1 1 9 9 CYS H H 1 7.57 . . 1 . . . . 9 CYS H . 20048 1
65 . 1 1 9 9 CYS HA H 1 4.32 . . 1 . . . . 9 CYS HA . 20048 1
66 . 1 1 9 9 CYS HB2 H 1 3.37 . . 2 . . . . 9 CYS HB2 . 20048 1
67 . 1 1 9 9 CYS HB3 H 1 3.30 . . 2 . . . . 9 CYS HB3 . 20048 1
68 . 1 1 9 9 CYS CA C 13 58.3 . . 1 . . . . 9 CYS CA . 20048 1
69 . 1 1 9 9 CYS N N 15 117.6 . . 5 . . . . 9 CYS N . 20048 1
70 . 1 1 10 10 ARG H H 1 7.96 . . 1 . . . . 10 ARG H . 20048 1
71 . 1 1 10 10 ARG HA H 1 3.81 . . 1 . . . . 10 ARG HA . 20048 1
72 . 1 1 10 10 ARG HB2 H 1 2.00 . . 2 . . . . 10 ARG HB2 . 20048 1
73 . 1 1 10 10 ARG HB3 H 1 1.81 . . 2 . . . . 10 ARG HB3 . 20048 1
74 . 1 1 10 10 ARG HD2 H 1 3.52 . . 2 . . . . 10 ARG HD2 . 20048 1
75 . 1 1 10 10 ARG HD3 H 1 3.19 . . 2 . . . . 10 ARG HD3 . 20048 1
76 . 1 1 10 10 ARG HE H 1 7.57 . . 1 . . . . 10 ARG HE . 20048 1
77 . 1 1 10 10 ARG HG2 H 1 1.97 . . 2 . . . . 10 ARG HG2 . 20048 1
78 . 1 1 10 10 ARG HG3 H 1 1.51 . . 2 . . . . 10 ARG HG3 . 20048 1
79 . 1 1 10 10 ARG CA C 13 60.2 . . 1 . . . . 10 ARG CA . 20048 1
80 . 1 1 10 10 ARG N N 15 119.2 . . 1 . . . . 10 ARG N . 20048 1
81 . 1 1 11 11 ASP H H 1 8.22 . . 1 . . . . 11 ASP H . 20048 1
82 . 1 1 11 11 ASP HA H 1 4.33 . . 1 . . . . 11 ASP HA . 20048 1
83 . 1 1 11 11 ASP HB2 H 1 2.31 . . 2 . . . . 11 ASP HB2 . 20048 1
84 . 1 1 11 11 ASP HB3 H 1 2.04 . . 2 . . . . 11 ASP HB3 . 20048 1
85 . 1 1 11 11 ASP CA C 13 54.5 . . 1 . . . . 11 ASP CA . 20048 1
86 . 1 1 11 11 ASP N N 15 114.2 . . 1 . . . . 11 ASP N . 20048 1
87 . 1 1 12 12 HIS H H 1 7.59 . . 1 . . . . 12 HIS H . 20048 1
88 . 1 1 12 12 HIS HA H 1 4.63 . . 1 . . . . 12 HIS HA . 20048 1
89 . 1 1 12 12 HIS HB2 H 1 3.09 . . 2 . . . . 12 HIS HB2 . 20048 1
90 . 1 1 12 12 HIS HB3 H 1 1.89 . . 2 . . . . 12 HIS HB3 . 20048 1
91 . 1 1 12 12 HIS HD2 H 1 6.73 . . 1 . . . . 12 HIS HD2 . 20048 1
92 . 1 1 12 12 HIS HE1 H 1 7.97 . . 1 . . . . 12 HIS HE1 . 20048 1
93 . 1 1 12 12 HIS CA C 13 55.9 . . 1 . . . . 12 HIS CA . 20048 1
94 . 1 1 12 12 HIS N N 15 114.7 . . 5 . . . . 12 HIS N . 20048 1
95 . 1 1 13 13 SER H H 1 7.70 . . 1 . . . . 13 SER H . 20048 1
96 . 1 1 13 13 SER HA H 1 4.87 . . 1 . . . . 13 SER HA . 20048 1
97 . 1 1 13 13 SER HB2 H 1 4.19 . . 2 . . . . 13 SER HB2 . 20048 1
98 . 1 1 13 13 SER HB3 H 1 4.02 . . 2 . . . . 13 SER HB3 . 20048 1
99 . 1 1 13 13 SER CA C 13 58.2 . . 1 . . . . 13 SER CA . 20048 1
100 . 1 1 13 13 SER N N 15 115.9 . . 1 . . . . 13 SER N . 20048 1
101 . 1 1 14 14 ARG H H 1 9.07 . . 1 . . . . 14 ARG H . 20048 1
102 . 1 1 14 14 ARG HA H 1 4.75 . . 1 . . . . 14 ARG HA . 20048 1
103 . 1 1 14 14 ARG HB2 H 1 2.16 . . 2 . . . . 14 ARG HB2 . 20048 1
104 . 1 1 14 14 ARG HB3 H 1 2.16 . . 2 . . . . 14 ARG HB3 . 20048 1
105 . 1 1 14 14 ARG HD2 H 1 3.21 . . 2 . . . . 14 ARG HD2 . 20048 1
106 . 1 1 14 14 ARG HD3 H 1 3.21 . . 2 . . . . 14 ARG HD3 . 20048 1
107 . 1 1 14 14 ARG HE H 1 7.24 . . 1 . . . . 14 ARG HE . 20048 1
108 . 1 1 14 14 ARG HG2 H 1 1.67 . . 2 . . . . 14 ARG HG2 . 20048 1
109 . 1 1 14 14 ARG HG3 H 1 1.67 . . 2 . . . . 14 ARG HG3 . 20048 1
110 . 1 1 14 14 ARG CA C 13 55.5 . . 1 . . . . 14 ARG CA . 20048 1
111 . 1 1 14 14 ARG N N 15 120.3 . . 1 . . . . 14 ARG N . 20048 1
112 . 1 1 15 15 CYS H H 1 8.26 . . 1 . . . . 15 CYS H . 20048 1
113 . 1 1 15 15 CYS HA H 1 4.69 . . 1 . . . . 15 CYS HA . 20048 1
114 . 1 1 15 15 CYS HB2 H 1 3.49 . . 2 . . . . 15 CYS HB2 . 20048 1
115 . 1 1 15 15 CYS HB3 H 1 3.12 . . 2 . . . . 15 CYS HB3 . 20048 1
116 . 1 1 15 15 CYS CA C 13 56.8 . . 1 . . . . 15 CYS CA . 20048 1
117 . 1 1 15 15 CYS N N 15 115.5 . . 1 . . . . 15 CYS N . 20048 1
118 . 1 1 16 16 CYS H H 1 8.58 . . 1 . . . . 16 CYS H . 20048 1
119 . 1 1 16 16 CYS HA H 1 4.96 . . 1 . . . . 16 CYS HA . 20048 1
120 . 1 1 16 16 CYS HB2 H 1 3.28 . . 2 . . . . 16 CYS HB2 . 20048 1
121 . 1 1 16 16 CYS HB3 H 1 2.86 . . 2 . . . . 16 CYS HB3 . 20048 1
122 . 1 1 16 16 CYS N N 15 120.7 . . 1 . . . . 16 CYS N . 20048 1
stop_
save_