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 30953
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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
1 '2D 1H-1H TOCSY' . . . 30953 1
2 '2D 1H-1H NOESY' . . . 30953 1
3 '2D 1H-15N HSQC' . . . 30953 1
4 '2D 1H-13C HSQC' . . . 30953 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 CYS HA H 1 4.479 0.034 . . . . . . A 1 CYS HA . 30953 1
2 . 1 . 1 1 1 CYS HB2 H 1 3.750 0.036 . . . . . . A 1 CYS HB2 . 30953 1
3 . 1 . 1 1 1 CYS HB3 H 1 3.657 0.037 . . . . . . A 1 CYS HB3 . 30953 1
4 . 1 . 1 1 1 CYS CA C 13 54.138 0.000 . . . . . . A 1 CYS CA . 30953 1
5 . 1 . 1 1 1 CYS CB C 13 45.194 0.003 . . . . . . A 1 CYS CB . 30953 1
6 . 1 . 1 2 2 CYS H H 1 8.922 0.020 . . . . . . A 2 CYS H . 30953 1
7 . 1 . 1 2 2 CYS HA H 1 5.045 0.025 . . . . . . A 2 CYS HA . 30953 1
8 . 1 . 1 2 2 CYS HB2 H 1 3.458 0.025 . . . . . . A 2 CYS HB2 . 30953 1
9 . 1 . 1 2 2 CYS HB3 H 1 2.615 0.028 . . . . . . A 2 CYS HB3 . 30953 1
10 . 1 . 1 2 2 CYS CA C 13 55.132 0.000 . . . . . . A 2 CYS CA . 30953 1
11 . 1 . 1 2 2 CYS CB C 13 41.701 0.003 . . . . . . A 2 CYS CB . 30953 1
12 . 1 . 1 2 2 CYS N N 15 116.658 0.000 . . . . . . A 2 CYS N . 30953 1
13 . 1 . 1 3 3 ASN H H 1 7.269 0.020 . . . . . . A 3 ASN H . 30953 1
14 . 1 . 1 3 3 ASN HA H 1 4.911 0.026 . . . . . . A 3 ASN HA . 30953 1
15 . 1 . 1 3 3 ASN HB2 H 1 3.049 0.028 . . . . . . A 3 ASN HB2 . 30953 1
16 . 1 . 1 3 3 ASN HB3 H 1 2.834 0.023 . . . . . . A 3 ASN HB3 . 30953 1
17 . 1 . 1 3 3 ASN HD21 H 1 7.687 0.034 . . . . . . A 3 ASN HD21 . 30953 1
18 . 1 . 1 3 3 ASN HD22 H 1 6.955 0.036 . . . . . . A 3 ASN HD22 . 30953 1
19 . 1 . 1 3 3 ASN CA C 13 51.816 0.000 . . . . . . A 3 ASN CA . 30953 1
20 . 1 . 1 3 3 ASN CB C 13 36.892 0.004 . . . . . . A 3 ASN CB . 30953 1
21 . 1 . 1 3 3 ASN N N 15 123.931 0.000 . . . . . . A 3 ASN N . 30953 1
22 . 1 . 1 3 3 ASN ND2 N 15 111.768 0.001 . . . . . . A 3 ASN ND2 . 30953 1
23 . 1 . 1 4 4 CYS H H 1 8.559 0.022 . . . . . . A 4 CYS H . 30953 1
24 . 1 . 1 4 4 CYS HA H 1 4.366 0.029 . . . . . . A 4 CYS HA . 30953 1
25 . 1 . 1 4 4 CYS HB2 H 1 3.372 0.035 . . . . . . A 4 CYS HB2 . 30953 1
26 . 1 . 1 4 4 CYS HB3 H 1 2.769 0.028 . . . . . . A 4 CYS HB3 . 30953 1
27 . 1 . 1 4 4 CYS CA C 13 55.273 0.000 . . . . . . A 4 CYS CA . 30953 1
28 . 1 . 1 4 4 CYS CB C 13 35.554 0.009 . . . . . . A 4 CYS CB . 30953 1
29 . 1 . 1 4 4 CYS N N 15 120.706 0.000 . . . . . . A 4 CYS N . 30953 1
30 . 1 . 1 5 5 SER H H 1 8.012 0.022 . . . . . . A 5 SER H . 30953 1
31 . 1 . 1 5 5 SER HA H 1 4.351 0.027 . . . . . . A 5 SER HA . 30953 1
32 . 1 . 1 5 5 SER HB2 H 1 3.921 0.028 . . . . . . A 5 SER HB2 . 30953 1
33 . 1 . 1 5 5 SER HB3 H 1 3.873 0.029 . . . . . . A 5 SER HB3 . 30953 1
34 . 1 . 1 5 5 SER CA C 13 59.477 0.000 . . . . . . A 5 SER CA . 30953 1
35 . 1 . 1 5 5 SER CB C 13 62.979 0.013 . . . . . . A 5 SER CB . 30953 1
36 . 1 . 1 5 5 SER N N 15 114.813 0.000 . . . . . . A 5 SER N . 30953 1
37 . 1 . 1 6 6 SER H H 1 7.666 0.025 . . . . . . A 6 SER H . 30953 1
38 . 1 . 1 6 6 SER HA H 1 4.617 0.028 . . . . . . A 6 SER HA . 30953 1
39 . 1 . 1 6 6 SER HB2 H 1 4.043 0.024 . . . . . . A 6 SER HB2 . 30953 1
40 . 1 . 1 6 6 SER HB3 H 1 3.860 0.024 . . . . . . A 6 SER HB3 . 30953 1
41 . 1 . 1 6 6 SER CA C 13 55.889 0.000 . . . . . . A 6 SER CA . 30953 1
42 . 1 . 1 6 6 SER CB C 13 63.562 0.010 . . . . . . A 6 SER CB . 30953 1
43 . 1 . 1 6 6 SER N N 15 116.926 0.000 . . . . . . A 6 SER N . 30953 1
44 . 1 . 1 7 7 LYS H H 1 9.009 0.019 . . . . . . A 7 LYS H . 30953 1
45 . 1 . 1 7 7 LYS HA H 1 3.699 0.020 . . . . . . A 7 LYS HA . 30953 1
46 . 1 . 1 7 7 LYS HB2 H 1 1.762 0.025 . . . . . . A 7 LYS HB2 . 30953 1
47 . 1 . 1 7 7 LYS HB3 H 1 1.694 0.023 . . . . . . A 7 LYS HB3 . 30953 1
48 . 1 . 1 7 7 LYS HG2 H 1 1.281 0.023 . . . . . . A 7 LYS HG2 . 30953 1
49 . 1 . 1 7 7 LYS HG3 H 1 1.183 0.027 . . . . . . A 7 LYS HG3 . 30953 1
50 . 1 . 1 7 7 LYS HD2 H 1 1.546 0.002 . . . . . . A 7 LYS HD2 . 30953 1
51 . 1 . 1 7 7 LYS HD3 H 1 1.271 0.012 . . . . . . A 7 LYS HD3 . 30953 1
52 . 1 . 1 7 7 LYS HE2 H 1 2.867 0.005 . . . . . . A 7 LYS HE2 . 30953 1
53 . 1 . 1 7 7 LYS HE3 H 1 2.867 0.005 . . . . . . A 7 LYS HE3 . 30953 1
54 . 1 . 1 7 7 LYS HZ1 H 1 7.535 0.016 . . . . . . A 7 LYS HZ1 . 30953 1
55 . 1 . 1 7 7 LYS HZ2 H 1 7.535 0.016 . . . . . . A 7 LYS HZ2 . 30953 1
56 . 1 . 1 7 7 LYS HZ3 H 1 7.535 0.016 . . . . . . A 7 LYS HZ3 . 30953 1
57 . 1 . 1 7 7 LYS CA C 13 59.548 0.000 . . . . . . A 7 LYS CA . 30953 1
58 . 1 . 1 7 7 LYS CB C 13 32.273 0.015 . . . . . . A 7 LYS CB . 30953 1
59 . 1 . 1 7 7 LYS CG C 13 24.613 0.001 . . . . . . A 7 LYS CG . 30953 1
60 . 1 . 1 7 7 LYS CD C 13 29.036 0.030 . . . . . . A 7 LYS CD . 30953 1
61 . 1 . 1 7 7 LYS CE C 13 41.791 0.000 . . . . . . A 7 LYS CE . 30953 1
62 . 1 . 1 7 7 LYS N N 15 130.642 0.000 . . . . . . A 7 LYS N . 30953 1
63 . 1 . 1 8 8 TRP H H 1 8.112 0.020 . . . . . . A 8 TRP H . 30953 1
64 . 1 . 1 8 8 TRP HA H 1 4.339 0.026 . . . . . . A 8 TRP HA . 30953 1
65 . 1 . 1 8 8 TRP HB2 H 1 3.288 0.024 . . . . . . A 8 TRP HB2 . 30953 1
66 . 1 . 1 8 8 TRP HB3 H 1 3.134 0.027 . . . . . . A 8 TRP HB3 . 30953 1
67 . 1 . 1 8 8 TRP HD1 H 1 7.136 0.003 . . . . . . A 8 TRP HD1 . 30953 1
68 . 1 . 1 8 8 TRP HE1 H 1 10.027 0.030 . . . . . . A 8 TRP HE1 . 30953 1
69 . 1 . 1 8 8 TRP HE3 H 1 7.235 0.001 . . . . . . A 8 TRP HE3 . 30953 1
70 . 1 . 1 8 8 TRP HZ2 H 1 7.501 0.001 . . . . . . A 8 TRP HZ2 . 30953 1
71 . 1 . 1 8 8 TRP CA C 13 59.809 0.000 . . . . . . A 8 TRP CA . 30953 1
72 . 1 . 1 8 8 TRP CB C 13 29.016 0.002 . . . . . . A 8 TRP CB . 30953 1
73 . 1 . 1 8 8 TRP N N 15 117.307 0.000 . . . . . . A 8 TRP N . 30953 1
74 . 1 . 1 8 8 TRP NE1 N 15 129.400 0.000 . . . . . . A 8 TRP NE1 . 30953 1
75 . 1 . 1 9 9 CYS H H 1 7.460 0.025 . . . . . . A 9 CYS H . 30953 1
76 . 1 . 1 9 9 CYS HA H 1 4.400 0.029 . . . . . . A 9 CYS HA . 30953 1
77 . 1 . 1 9 9 CYS HB2 H 1 3.202 0.031 . . . . . . A 9 CYS HB2 . 30953 1
78 . 1 . 1 9 9 CYS HB3 H 1 3.111 0.030 . . . . . . A 9 CYS HB3 . 30953 1
79 . 1 . 1 9 9 CYS CA C 13 56.804 0.000 . . . . . . A 9 CYS CA . 30953 1
80 . 1 . 1 9 9 CYS CB C 13 40.234 0.011 . . . . . . A 9 CYS CB . 30953 1
81 . 1 . 1 9 9 CYS N N 15 115.537 0.000 . . . . . . A 9 CYS N . 30953 1
82 . 1 . 1 10 10 ARG H H 1 8.036 0.021 . . . . . . A 10 ARG H . 30953 1
83 . 1 . 1 10 10 ARG HA H 1 3.882 0.018 . . . . . . A 10 ARG HA . 30953 1
84 . 1 . 1 10 10 ARG HB2 H 1 1.870 0.022 . . . . . . A 10 ARG HB2 . 30953 1
85 . 1 . 1 10 10 ARG HB3 H 1 1.750 0.020 . . . . . . A 10 ARG HB3 . 30953 1
86 . 1 . 1 10 10 ARG HG2 H 1 1.728 0.025 . . . . . . A 10 ARG HG2 . 30953 1
87 . 1 . 1 10 10 ARG HG3 H 1 1.422 0.027 . . . . . . A 10 ARG HG3 . 30953 1
88 . 1 . 1 10 10 ARG HD2 H 1 3.295 0.021 . . . . . . A 10 ARG HD2 . 30953 1
89 . 1 . 1 10 10 ARG HD3 H 1 3.139 0.021 . . . . . . A 10 ARG HD3 . 30953 1
90 . 1 . 1 10 10 ARG HE H 1 7.246 0.017 . . . . . . A 10 ARG HE . 30953 1
91 . 1 . 1 10 10 ARG CA C 13 59.048 0.000 . . . . . . A 10 ARG CA . 30953 1
92 . 1 . 1 10 10 ARG CB C 13 30.239 0.001 . . . . . . A 10 ARG CB . 30953 1
93 . 1 . 1 10 10 ARG CG C 13 27.771 0.007 . . . . . . A 10 ARG CG . 30953 1
94 . 1 . 1 10 10 ARG CD C 13 43.530 0.008 . . . . . . A 10 ARG CD . 30953 1
95 . 1 . 1 10 10 ARG N N 15 119.191 0.000 . . . . . . A 10 ARG N . 30953 1
96 . 1 . 1 11 11 ASP H H 1 7.973 0.024 . . . . . . A 11 ASP H . 30953 1
97 . 1 . 1 11 11 ASP HA H 1 4.342 0.023 . . . . . . A 11 ASP HA . 30953 1
98 . 1 . 1 11 11 ASP HB2 H 1 2.363 0.054 . . . . . . A 11 ASP HB2 . 30953 1
99 . 1 . 1 11 11 ASP HB3 H 1 2.222 0.064 . . . . . . A 11 ASP HB3 . 30953 1
100 . 1 . 1 11 11 ASP CA C 13 60.791 0.000 . . . . . . A 11 ASP CA . 30953 1
101 . 1 . 1 11 11 ASP CB C 13 39.180 0.017 . . . . . . A 11 ASP CB . 30953 1
102 . 1 . 1 11 11 ASP N N 15 115.508 0.000 . . . . . . A 11 ASP N . 30953 1
103 . 1 . 1 12 12 HIS H H 1 7.546 0.025 . . . . . . A 12 HIS H . 30953 1
104 . 1 . 1 12 12 HIS HA H 1 4.592 0.028 . . . . . . A 12 HIS HA . 30953 1
105 . 1 . 1 12 12 HIS HB2 H 1 3.054 0.021 . . . . . . A 12 HIS HB2 . 30953 1
106 . 1 . 1 12 12 HIS HB3 H 1 2.335 0.026 . . . . . . A 12 HIS HB3 . 30953 1
107 . 1 . 1 12 12 HIS HD2 H 1 6.635 0.002 . . . . . . A 12 HIS HD2 . 30953 1
108 . 1 . 1 12 12 HIS HE1 H 1 8.083 0.000 . . . . . . A 12 HIS HE1 . 30953 1
109 . 1 . 1 12 12 HIS CA C 13 56.117 0.000 . . . . . . A 12 HIS CA . 30953 1
110 . 1 . 1 12 12 HIS CB C 13 29.249 0.010 . . . . . . A 12 HIS CB . 30953 1
111 . 1 . 1 12 12 HIS N N 15 113.934 0.000 . . . . . . A 12 HIS N . 30953 1
112 . 1 . 1 13 13 SER H H 1 7.943 0.022 . . . . . . A 13 SER H . 30953 1
113 . 1 . 1 13 13 SER HA H 1 4.789 0.030 . . . . . . A 13 SER HA . 30953 1
114 . 1 . 1 13 13 SER HB2 H 1 4.091 0.023 . . . . . . A 13 SER HB2 . 30953 1
115 . 1 . 1 13 13 SER HB3 H 1 3.985 0.022 . . . . . . A 13 SER HB3 . 30953 1
116 . 1 . 1 13 13 SER CA C 13 58.043 0.000 . . . . . . A 13 SER CA . 30953 1
117 . 1 . 1 13 13 SER CB C 13 65.164 0.002 . . . . . . A 13 SER CB . 30953 1
118 . 1 . 1 13 13 SER N N 15 115.048 0.000 . . . . . . A 13 SER N . 30953 1
119 . 1 . 1 14 14 ARG H H 1 8.911 0.019 . . . . . . A 14 ARG H . 30953 1
120 . 1 . 1 14 14 ARG HA H 1 4.182 0.017 . . . . . . A 14 ARG HA . 30953 1
121 . 1 . 1 14 14 ARG HB2 H 1 1.862 0.025 . . . . . . A 14 ARG HB2 . 30953 1
122 . 1 . 1 14 14 ARG HB3 H 1 1.775 0.026 . . . . . . A 14 ARG HB3 . 30953 1
123 . 1 . 1 14 14 ARG HG2 H 1 1.629 0.018 . . . . . . A 14 ARG HG2 . 30953 1
124 . 1 . 1 14 14 ARG HG3 H 1 1.629 0.018 . . . . . . A 14 ARG HG3 . 30953 1
125 . 1 . 1 14 14 ARG HD2 H 1 3.290 0.025 . . . . . . A 14 ARG HD2 . 30953 1
126 . 1 . 1 14 14 ARG HD3 H 1 3.138 0.025 . . . . . . A 14 ARG HD3 . 30953 1
127 . 1 . 1 14 14 ARG HE H 1 7.127 0.029 . . . . . . A 14 ARG HE . 30953 1
128 . 1 . 1 14 14 ARG CA C 13 57.783 0.000 . . . . . . A 14 ARG CA . 30953 1
129 . 1 . 1 14 14 ARG CB C 13 29.492 0.011 . . . . . . A 14 ARG CB . 30953 1
130 . 1 . 1 14 14 ARG CG C 13 27.056 0.000 . . . . . . A 14 ARG CG . 30953 1
131 . 1 . 1 14 14 ARG CD C 13 43.596 0.000 . . . . . . A 14 ARG CD . 30953 1
132 . 1 . 1 14 14 ARG N N 15 126.139 0.000 . . . . . . A 14 ARG N . 30953 1
133 . 1 . 1 15 15 CYS H H 1 8.165 0.020 . . . . . . A 15 CYS H . 30953 1
134 . 1 . 1 15 15 CYS HA H 1 4.445 0.033 . . . . . . A 15 CYS HA . 30953 1
135 . 1 . 1 15 15 CYS HB2 H 1 3.317 0.029 . . . . . . A 15 CYS HB2 . 30953 1
136 . 1 . 1 15 15 CYS HB3 H 1 3.317 0.029 . . . . . . A 15 CYS HB3 . 30953 1
137 . 1 . 1 15 15 CYS CA C 13 57.256 0.000 . . . . . . A 15 CYS CA . 30953 1
138 . 1 . 1 15 15 CYS CB C 13 41.368 0.000 . . . . . . A 15 CYS CB . 30953 1
139 . 1 . 1 15 15 CYS N N 15 115.156 0.000 . . . . . . A 15 CYS N . 30953 1
140 . 1 . 1 16 16 CYS H H 1 7.698 0.027 . . . . . . A 16 CYS H . 30953 1
141 . 1 . 1 16 16 CYS HA H 1 4.926 0.029 . . . . . . A 16 CYS HA . 30953 1
142 . 1 . 1 16 16 CYS HB2 H 1 3.183 0.025 . . . . . . A 16 CYS HB2 . 30953 1
143 . 1 . 1 16 16 CYS HB3 H 1 2.644 0.030 . . . . . . A 16 CYS HB3 . 30953 1
144 . 1 . 1 16 16 CYS CA C 13 53.710 0.000 . . . . . . A 16 CYS CA . 30953 1
145 . 1 . 1 16 16 CYS CB C 13 40.323 0.031 . . . . . . A 16 CYS CB . 30953 1
146 . 1 . 1 16 16 CYS N N 15 117.567 0.000 . . . . . . A 16 CYS N . 30953 1
stop_
save_