Content for NMR-STAR saveframe, "chemical_shifts_1"
save_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 4725
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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
;
113Cd chemical shifts at 298K are: 648.6 ppm for Cd(II), 646.3 ppm for Cd(III) and
640.8 ppm for Cd(V)
;
_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 $sample_1 . 4725 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 PRO HA H 1 4.54 0.03 . 1 . . . . . . . . 4725 1
2 . 1 1 1 1 PRO HB2 H 1 2.31 0.03 . 2 . . . . . . . . 4725 1
3 . 1 1 1 1 PRO HB3 H 1 2.11 0.03 . 2 . . . . . . . . 4725 1
4 . 1 1 1 1 PRO HD2 H 1 3.52 0.03 . 2 . . . . . . . . 4725 1
5 . 1 1 1 1 PRO HD3 H 1 3.42 0.03 . 2 . . . . . . . . 4725 1
6 . 1 1 2 2 GLY HA2 H 1 4.08 0.03 . 2 . . . . . . . . 4725 1
7 . 1 1 2 2 GLY HA3 H 1 3.92 0.03 . 2 . . . . . . . . 4725 1
8 . 1 1 2 2 GLY CA C 13 42.18 0.3 . 1 . . . . . . . . 4725 1
9 . 1 1 3 3 PRO HA H 1 4.44 0.03 . 1 . . . . . . . . 4725 1
10 . 1 1 3 3 PRO HB2 H 1 2.165 0.03 . 2 . . . . . . . . 4725 1
11 . 1 1 3 3 PRO HD2 H 1 3.79 0.03 . 2 . . . . . . . . 4725 1
12 . 1 1 3 3 PRO HD3 H 1 3.38 0.03 . 2 . . . . . . . . 4725 1
13 . 1 1 4 4 CYS H H 1 7.59 0.03 . 1 . . . . . . . . 4725 1
14 . 1 1 4 4 CYS HA H 1 4.92 0.03 . 1 . . . . . . . . 4725 1
15 . 1 1 4 4 CYS HB2 H 1 3.12 0.03 . 2 . . . . . . . . 4725 1
16 . 1 1 4 4 CYS HB3 H 1 3.00 0.03 . 2 . . . . . . . . 4725 1
17 . 1 1 4 4 CYS CA C 13 54.33 0.3 . 1 . . . . . . . . 4725 1
18 . 1 1 4 4 CYS CB C 13 30.45 0.3 . 1 . . . . . . . . 4725 1
19 . 1 1 5 5 CYS H H 1 10.08 0.03 . 1 . . . . . . . . 4725 1
20 . 1 1 5 5 CYS HA H 1 4.60 0.03 . 1 . . . . . . . . 4725 1
21 . 1 1 5 5 CYS CA C 13 58.09 0.3 . 1 . . . . . . . . 4725 1
22 . 1 1 5 5 CYS CB C 13 25.72 0.3 . 1 . . . . . . . . 4725 1
23 . 1 1 6 6 LYS H H 1 8.45 0.03 . 1 . . . . . . . . 4725 1
24 . 1 1 6 6 LYS HA H 1 3.84 0.03 . 1 . . . . . . . . 4725 1
25 . 1 1 6 6 LYS HB2 H 1 1.67 0.03 . 2 . . . . . . . . 4725 1
26 . 1 1 6 6 LYS HB3 H 1 1.59 0.03 . 2 . . . . . . . . 4725 1
27 . 1 1 6 6 LYS CA C 13 57.70 0.3 . 1 . . . . . . . . 4725 1
28 . 1 1 6 6 LYS CB C 13 30.02 0.3 . 1 . . . . . . . . 4725 1
29 . 1 1 6 6 LYS CG C 13 22.95 0.3 . 1 . . . . . . . . 4725 1
30 . 1 1 7 7 ASP H H 1 8.74 0.03 . 1 . . . . . . . . 4725 1
31 . 1 1 7 7 ASP HA H 1 4.65 0.03 . 1 . . . . . . . . 4725 1
32 . 1 1 7 7 ASP HB2 H 1 2.63 0.03 . 2 . . . . . . . . 4725 1
33 . 1 1 7 7 ASP HB3 H 1 2.47 0.03 . 2 . . . . . . . . 4725 1
34 . 1 1 8 8 LYS H H 1 7.68 0.03 . 1 . . . . . . . . 4725 1
35 . 1 1 8 8 LYS HA H 1 4.29 0.03 . 1 . . . . . . . . 4725 1
36 . 1 1 8 8 LYS HB2 H 1 1.86 0.03 . 2 . . . . . . . . 4725 1
37 . 1 1 8 8 LYS HB3 H 1 1.63 0.03 . 2 . . . . . . . . 4725 1
38 . 1 1 8 8 LYS HG2 H 1 1.26 0.03 . 2 . . . . . . . . 4725 1
39 . 1 1 8 8 LYS HG3 H 1 0.90 0.03 . 2 . . . . . . . . 4725 1
40 . 1 1 8 8 LYS CA C 13 52.18 0.3 . 1 . . . . . . . . 4725 1
41 . 1 1 8 8 LYS CB C 13 31.15 0.3 . 1 . . . . . . . . 4725 1
42 . 1 1 8 8 LYS CG C 13 20.56 0.3 . 1 . . . . . . . . 4725 1
43 . 1 1 8 8 LYS CD C 13 26.82 0.3 . 1 . . . . . . . . 4725 1
44 . 1 1 8 8 LYS CE C 13 39.75 0.3 . 1 . . . . . . . . 4725 1
45 . 1 1 9 9 CYS H H 1 8.77 0.03 . 1 . . . . . . . . 4725 1
46 . 1 1 9 9 CYS HA H 1 4.26 0.03 . 1 . . . . . . . . 4725 1
47 . 1 1 9 9 CYS HB2 H 1 2.76 0.03 . 2 . . . . . . . . 4725 1
48 . 1 1 9 9 CYS HB3 H 1 2.84 0.03 . 2 . . . . . . . . 4725 1
49 . 1 1 10 10 GLU H H 1 8.68 0.03 . 1 . . . . . . . . 4725 1
50 . 1 1 10 10 GLU HA H 1 4.63 0.03 . 1 . . . . . . . . 4725 1
51 . 1 1 10 10 GLU HB2 H 1 2.19 0.03 . 2 . . . . . . . . 4725 1
52 . 1 1 10 10 GLU HG2 H 1 2.37 0.03 . 2 . . . . . . . . 4725 1
53 . 1 1 10 10 GLU HG3 H 1 2.11 0.03 . 2 . . . . . . . . 4725 1
54 . 1 1 10 10 GLU CA C 13 53.90 0.3 . 1 . . . . . . . . 4725 1
55 . 1 1 11 11 CYS H H 1 8.22 0.03 . 1 . . . . . . . . 4725 1
56 . 1 1 11 11 CYS HA H 1 4.60 0.03 . 1 . . . . . . . . 4725 1
57 . 1 1 11 11 CYS HB2 H 1 2.52 0.03 . 2 . . . . . . . . 4725 1
58 . 1 1 11 11 CYS HB3 H 1 2.81 0.03 . 2 . . . . . . . . 4725 1
59 . 1 1 11 11 CYS CA C 13 63.95 0.3 . 1 . . . . . . . . 4725 1
60 . 1 1 12 12 ALA H H 1 8.83 0.03 . 1 . . . . . . . . 4725 1
61 . 1 1 12 12 ALA HA H 1 4.14 0.03 . 1 . . . . . . . . 4725 1
62 . 1 1 12 12 ALA HB1 H 1 1.34 0.03 . 1 . . . . . . . . 4725 1
63 . 1 1 12 12 ALA HB2 H 1 1.34 0.03 . 1 . . . . . . . . 4725 1
64 . 1 1 12 12 ALA HB3 H 1 1.34 0.03 . 1 . . . . . . . . 4725 1
65 . 1 1 12 12 ALA CB C 13 15.44 0.3 . 1 . . . . . . . . 4725 1
66 . 1 1 13 13 GLU H H 1 7.72 0.03 . 1 . . . . . . . . 4725 1
67 . 1 1 13 13 GLU HA H 1 4.33 0.03 . 1 . . . . . . . . 4725 1
68 . 1 1 13 13 GLU HB2 H 1 2.16 0.03 . 2 . . . . . . . . 4725 1
69 . 1 1 13 13 GLU HB3 H 1 2.05 0.03 . 2 . . . . . . . . 4725 1
70 . 1 1 13 13 GLU CA C 13 53.79 0.3 . 1 . . . . . . . . 4725 1
71 . 1 1 13 13 GLU CB C 13 27.48 0.3 . 1 . . . . . . . . 4725 1
72 . 1 1 13 13 GLU CG C 13 34.05 0.3 . 1 . . . . . . . . 4725 1
73 . 1 1 14 14 GLY H H 1 7.91 0.03 . 1 . . . . . . . . 4725 1
74 . 1 1 14 14 GLY HA2 H 1 4.12 0.03 . 1 . . . . . . . . 4725 1
75 . 1 1 14 14 GLY CA C 13 44.17 0.3 . 1 . . . . . . . . 4725 1
76 . 1 1 15 15 GLY H H 1 8.18 0.03 . 1 . . . . . . . . 4725 1
77 . 1 1 15 15 GLY HA2 H 1 4.27 0.03 . 2 . . . . . . . . 4725 1
78 . 1 1 15 15 GLY HA3 H 1 3.72 0.03 . 2 . . . . . . . . 4725 1
79 . 1 1 15 15 GLY CA C 13 43.23 0.3 . 1 . . . . . . . . 4725 1
80 . 1 1 16 16 CYS H H 1 8.65 0.03 . 1 . . . . . . . . 4725 1
81 . 1 1 16 16 CYS HA H 1 4.78 0.03 . 1 . . . . . . . . 4725 1
82 . 1 1 16 16 CYS HB2 H 1 3.13 0.03 . 2 . . . . . . . . 4725 1
83 . 1 1 16 16 CYS HB3 H 1 3.05 0.03 . 2 . . . . . . . . 4725 1
84 . 1 1 16 16 CYS CA C 13 60.71 0.3 . 1 . . . . . . . . 4725 1
85 . 1 1 16 16 CYS CB C 13 29.51 0.3 . 1 . . . . . . . . 4725 1
86 . 1 1 17 17 LYS H H 1 9.40 0.03 . 1 . . . . . . . . 4725 1
87 . 1 1 17 17 LYS HA H 1 4.70 0.03 . 1 . . . . . . . . 4725 1
88 . 1 1 17 17 LYS HB2 H 1 1.97 0.03 . 2 . . . . . . . . 4725 1
89 . 1 1 17 17 LYS HB3 H 1 1.40 0.03 . 2 . . . . . . . . 4725 1
90 . 1 1 17 17 LYS CA C 13 50.93 0.3 . 1 . . . . . . . . 4725 1
91 . 1 1 17 17 LYS CB C 13 33.97 0.3 . 1 . . . . . . . . 4725 1
92 . 1 1 18 18 THR H H 1 8.71 0.03 . 1 . . . . . . . . 4725 1
93 . 1 1 18 18 THR HA H 1 3.87 0.03 . 1 . . . . . . . . 4725 1
94 . 1 1 18 18 THR HB H 1 3.89 0.03 . 1 . . . . . . . . 4725 1
95 . 1 1 18 18 THR HG21 H 1 1.17 0.03 . 1 . . . . . . . . 4725 1
96 . 1 1 18 18 THR HG22 H 1 1.17 0.03 . 1 . . . . . . . . 4725 1
97 . 1 1 18 18 THR HG23 H 1 1.17 0.03 . 1 . . . . . . . . 4725 1
98 . 1 1 18 18 THR CA C 13 62.70 0.3 . 1 . . . . . . . . 4725 1
99 . 1 1 18 18 THR CB C 13 66.53 0.3 . 1 . . . . . . . . 4725 1
100 . 1 1 19 19 GLY H H 1 9.42 0.03 . 1 . . . . . . . . 4725 1
101 . 1 1 19 19 GLY HA2 H 1 4.19 0.03 . 2 . . . . . . . . 4725 1
102 . 1 1 19 19 GLY HA3 H 1 3.53 0.03 . 2 . . . . . . . . 4725 1
103 . 1 1 20 20 CYS H H 1 7.23 0.03 . 1 . . . . . . . . 4725 1
104 . 1 1 20 20 CYS HA H 1 3.92 0.03 . 1 . . . . . . . . 4725 1
105 . 1 1 20 20 CYS HB2 H 1 2.85 0.03 . 2 . . . . . . . . 4725 1
106 . 1 1 20 20 CYS HB3 H 1 3.11 0.03 . 2 . . . . . . . . 4725 1
107 . 1 1 21 21 LYS H H 1 9.61 0.03 . 1 . . . . . . . . 4725 1
108 . 1 1 21 21 LYS HA H 1 4.53 0.03 . 1 . . . . . . . . 4725 1
109 . 1 1 21 21 LYS HB2 H 1 2.07 0.03 . 2 . . . . . . . . 4725 1
110 . 1 1 21 21 LYS CA C 13 52.61 0.3 . 1 . . . . . . . . 4725 1
111 . 1 1 21 21 LYS CB C 13 31.58 0.3 . 1 . . . . . . . . 4725 1
112 . 1 1 22 22 CYS H H 1 9.27 0.03 . 1 . . . . . . . . 4725 1
113 . 1 1 22 22 CYS HA H 1 4.30 0.03 . 1 . . . . . . . . 4725 1
114 . 1 1 22 22 CYS HB2 H 1 2.79 0.03 . 2 . . . . . . . . 4725 1
115 . 1 1 22 22 CYS HB3 H 1 3.06 0.03 . 2 . . . . . . . . 4725 1
116 . 1 1 22 22 CYS CA C 13 58.09 0.3 . 1 . . . . . . . . 4725 1
117 . 1 1 22 22 CYS CB C 13 30.18 0.3 . 1 . . . . . . . . 4725 1
118 . 1 1 23 23 THR H H 1 8.92 0.03 . 1 . . . . . . . . 4725 1
119 . 1 1 23 23 THR HA H 1 4.60 0.03 . 1 . . . . . . . . 4725 1
120 . 1 1 23 23 THR HG21 H 1 1.24 0.03 . 1 . . . . . . . . 4725 1
121 . 1 1 23 23 THR HG22 H 1 1.24 0.03 . 1 . . . . . . . . 4725 1
122 . 1 1 23 23 THR HG23 H 1 1.24 0.03 . 1 . . . . . . . . 4725 1
123 . 1 1 23 23 THR CB C 13 66.57 0.3 . 1 . . . . . . . . 4725 1
124 . 1 1 24 24 SER H H 1 9.57 0.03 . 1 . . . . . . . . 4725 1
125 . 1 1 24 24 SER HA H 1 4.53 0.03 . 1 . . . . . . . . 4725 1
126 . 1 1 24 24 SER HB2 H 1 3.90 0.03 . 2 . . . . . . . . 4725 1
127 . 1 1 24 24 SER HB3 H 1 3.76 0.03 . 2 . . . . . . . . 4725 1
128 . 1 1 24 24 SER CA C 13 57.66 0.3 . 1 . . . . . . . . 4725 1
129 . 1 1 24 24 SER CB C 13 61.72 0.3 . 1 . . . . . . . . 4725 1
130 . 1 1 25 25 CYS H H 1 7.38 0.03 . 1 . . . . . . . . 4725 1
131 . 1 1 25 25 CYS HA H 1 4.97 0.03 . 1 . . . . . . . . 4725 1
132 . 1 1 25 25 CYS HB2 H 1 3.57 0.03 . 2 . . . . . . . . 4725 1
133 . 1 1 25 25 CYS HB3 H 1 2.97 0.03 . 2 . . . . . . . . 4725 1
134 . 1 1 25 25 CYS CA C 13 52.73 0.3 . 1 . . . . . . . . 4725 1
135 . 1 1 25 25 CYS CB C 13 32.87 0.3 . 1 . . . . . . . . 4725 1
136 . 1 1 26 26 ARG H H 1 8.65 0.03 . 1 . . . . . . . . 4725 1
137 . 1 1 26 26 ARG HA H 1 5.02 0.03 . 1 . . . . . . . . 4725 1
138 . 1 1 26 26 ARG HB2 H 1 1.71 0.03 . 2 . . . . . . . . 4725 1
139 . 1 1 26 26 ARG HB3 H 1 1.63 0.03 . 2 . . . . . . . . 4725 1
140 . 1 1 26 26 ARG HG2 H 1 1.57 0.03 . 2 . . . . . . . . 4725 1
141 . 1 1 26 26 ARG HG3 H 1 1.47 0.03 . 2 . . . . . . . . 4725 1
142 . 1 1 26 26 ARG CA C 13 55.90 0.3 . 1 . . . . . . . . 4725 1
143 . 1 1 27 27 CYS H H 1 8.36 0.03 . 1 . . . . . . . . 4725 1
144 . 1 1 27 27 CYS HA H 1 3.51 0.03 . 1 . . . . . . . . 4725 1
145 . 1 1 27 27 CYS HB2 H 1 2.49 0.03 . 2 . . . . . . . . 4725 1
146 . 1 1 27 27 CYS HB3 H 1 2.88 0.03 . 2 . . . . . . . . 4725 1
147 . 1 1 27 27 CYS CA C 13 59.54 0.3 . 1 . . . . . . . . 4725 1
148 . 1 1 27 27 CYS CB C 13 28.22 0.3 . 1 . . . . . . . . 4725 1
149 . 1 1 28 28 ALA H H 1 8.11 0.03 . 1 . . . . . . . . 4725 1
150 . 1 1 28 28 ALA HA H 1 4.00 0.03 . 1 . . . . . . . . 4725 1
151 . 1 1 28 28 ALA HB1 H 1 1.26 0.03 . 1 . . . . . . . . 4725 1
152 . 1 1 28 28 ALA HB2 H 1 1.26 0.03 . 1 . . . . . . . . 4725 1
153 . 1 1 28 28 ALA HB3 H 1 1.26 0.03 . 1 . . . . . . . . 4725 1
154 . 1 1 28 28 ALA CA C 13 51.48 0.3 . 1 . . . . . . . . 4725 1
155 . 1 1 28 28 ALA CB C 13 18.06 0.3 . 1 . . . . . . . . 4725 1
stop_
save_