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 30922
_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 '1H-1H TOCSY' . . . 30922 1
2 '1H-1H NOESY' . . . 30922 1
3 '1H-15N HSQC' . . . 30922 1
4 '1H-13C HSQC' . . . 30922 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 GLY HA2 H 1 3.887 0.000 . . . . . A A 1 GLY HA2 . 30922 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.887 0.000 . . . . . A A 1 GLY HA3 . 30922 1
3 . 1 . 1 1 1 GLY CA C 13 43.590 0.000 . . . . . A A 1 GLY CA . 30922 1
4 . 1 . 1 2 2 CYS HA H 1 4.593 0.009 . . . . . A A 2 CYS HA . 30922 1
5 . 1 . 1 2 2 CYS HB2 H 1 2.934 0.001 . . . . . A A 2 CYS HB2 . 30922 1
6 . 1 . 1 2 2 CYS HB3 H 1 3.364 0.009 . . . . . A A 2 CYS HB3 . 30922 1
7 . 1 . 1 2 2 CYS CA C 13 58.348 0.000 . . . . . A A 2 CYS CA . 30922 1
8 . 1 . 1 2 2 CYS CB C 13 42.489 0.001 . . . . . A A 2 CYS CB . 30922 1
9 . 1 . 1 3 3 CYS H H 1 8.699 0.002 . . . . . A A 3 CYS H . 30922 1
10 . 1 . 1 3 3 CYS HA H 1 4.517 0.011 . . . . . A A 3 CYS HA . 30922 1
11 . 1 . 1 3 3 CYS HB2 H 1 2.856 0.008 . . . . . A A 3 CYS HB2 . 30922 1
12 . 1 . 1 3 3 CYS HB3 H 1 3.281 0.005 . . . . . A A 3 CYS HB3 . 30922 1
13 . 1 . 1 3 3 CYS CA C 13 56.533 0.000 . . . . . A A 3 CYS CA . 30922 1
14 . 1 . 1 3 3 CYS CB C 13 37.263 0.000 . . . . . A A 3 CYS CB . 30922 1
15 . 1 . 1 3 3 CYS N N 15 113.167 0.000 . . . . . A A 3 CYS N . 30922 1
16 . 1 . 1 4 4 SER H H 1 8.024 0.001 . . . . . A A 4 SER H . 30922 1
17 . 1 . 1 4 4 SER HA H 1 4.473 0.009 . . . . . A A 4 SER HA . 30922 1
18 . 1 . 1 4 4 SER HB2 H 1 3.934 0.001 . . . . . A A 4 SER HB2 . 30922 1
19 . 1 . 1 4 4 SER HB3 H 1 4.022 0.003 . . . . . A A 4 SER HB3 . 30922 1
20 . 1 . 1 4 4 SER CA C 13 59.174 0.000 . . . . . A A 4 SER CA . 30922 1
21 . 1 . 1 4 4 SER CB C 13 63.337 0.008 . . . . . A A 4 SER CB . 30922 1
22 . 1 . 1 5 5 ASP H H 1 7.956 0.001 . . . . . A A 5 ASP H . 30922 1
23 . 1 . 1 5 5 ASP HA H 1 5.147 0.005 . . . . . A A 5 ASP HA . 30922 1
24 . 1 . 1 5 5 ASP HB2 H 1 2.648 0.003 . . . . . A A 5 ASP HB2 . 30922 1
25 . 1 . 1 5 5 ASP HB3 H 1 3.151 0.009 . . . . . A A 5 ASP HB3 . 30922 1
26 . 1 . 1 5 5 ASP CA C 13 50.640 0.000 . . . . . A A 5 ASP CA . 30922 1
27 . 1 . 1 5 5 ASP CB C 13 43.270 0.014 . . . . . A A 5 ASP CB . 30922 1
28 . 1 . 1 5 5 ASP N N 15 124.389 0.000 . . . . . A A 5 ASP N . 30922 1
29 . 1 . 1 6 6 PRO HA H 1 4.334 0.009 . . . . . A A 6 PRO HA . 30922 1
30 . 1 . 1 6 6 PRO HB2 H 1 1.983 0.003 . . . . . A A 6 PRO HB2 . 30922 1
31 . 1 . 1 6 6 PRO HB3 H 1 2.396 0.004 . . . . . A A 6 PRO HB3 . 30922 1
32 . 1 . 1 6 6 PRO HG2 H 1 2.076 0.004 . . . . . A A 6 PRO HG2 . 30922 1
33 . 1 . 1 6 6 PRO HG3 H 1 2.076 0.004 . . . . . A A 6 PRO HG3 . 30922 1
34 . 1 . 1 6 6 PRO HD2 H 1 3.947 0.004 . . . . . A A 6 PRO HD2 . 30922 1
35 . 1 . 1 6 6 PRO HD3 H 1 4.028 0.006 . . . . . A A 6 PRO HD3 . 30922 1
36 . 1 . 1 6 6 PRO CA C 13 65.046 0.000 . . . . . A A 6 PRO CA . 30922 1
37 . 1 . 1 6 6 PRO CB C 13 32.326 0.011 . . . . . A A 6 PRO CB . 30922 1
38 . 1 . 1 6 6 PRO CG C 13 27.327 0.000 . . . . . A A 6 PRO CG . 30922 1
39 . 1 . 1 6 6 PRO CD C 13 51.041 0.013 . . . . . A A 6 PRO CD . 30922 1
40 . 1 . 1 7 7 ARG H H 1 8.125 0.001 . . . . . A A 7 ARG H . 30922 1
41 . 1 . 1 7 7 ARG HA H 1 4.154 0.006 . . . . . A A 7 ARG HA . 30922 1
42 . 1 . 1 7 7 ARG HB2 H 1 1.828 0.005 . . . . . A A 7 ARG HB2 . 30922 1
43 . 1 . 1 7 7 ARG HB3 H 1 1.893 0.005 . . . . . A A 7 ARG HB3 . 30922 1
44 . 1 . 1 7 7 ARG HG2 H 1 1.638 0.006 . . . . . A A 7 ARG HG2 . 30922 1
45 . 1 . 1 7 7 ARG HG3 H 1 1.638 0.006 . . . . . A A 7 ARG HG3 . 30922 1
46 . 1 . 1 7 7 ARG HD2 H 1 3.210 0.014 . . . . . A A 7 ARG HD2 . 30922 1
47 . 1 . 1 7 7 ARG HD3 H 1 3.210 0.014 . . . . . A A 7 ARG HD3 . 30922 1
48 . 1 . 1 7 7 ARG CA C 13 57.670 0.000 . . . . . A A 7 ARG CA . 30922 1
49 . 1 . 1 7 7 ARG CB C 13 29.696 0.008 . . . . . A A 7 ARG CB . 30922 1
50 . 1 . 1 7 7 ARG CG C 13 27.112 0.000 . . . . . A A 7 ARG CG . 30922 1
51 . 1 . 1 7 7 ARG CD C 13 43.149 0.000 . . . . . A A 7 ARG CD . 30922 1
52 . 1 . 1 7 7 ARG N N 15 116.384 0.000 . . . . . A A 7 ARG N . 30922 1
53 . 1 . 1 8 8 CYS H H 1 8.012 0.001 . . . . . A A 8 CYS H . 30922 1
54 . 1 . 1 8 8 CYS HA H 1 4.305 0.008 . . . . . A A 8 CYS HA . 30922 1
55 . 1 . 1 8 8 CYS HB2 H 1 3.354 0.005 . . . . . A A 8 CYS HB2 . 30922 1
56 . 1 . 1 8 8 CYS HB3 H 1 3.946 0.003 . . . . . A A 8 CYS HB3 . 30922 1
57 . 1 . 1 8 8 CYS CA C 13 59.036 0.000 . . . . . A A 8 CYS CA . 30922 1
58 . 1 . 1 8 8 CYS CB C 13 41.726 0.005 . . . . . A A 8 CYS CB . 30922 1
59 . 1 . 1 8 8 CYS N N 15 120.015 0.000 . . . . . A A 8 CYS N . 30922 1
60 . 1 . 1 9 9 ASN H H 1 8.809 0.001 . . . . . A A 9 ASN H . 30922 1
61 . 1 . 1 9 9 ASN HA H 1 4.475 0.020 . . . . . A A 9 ASN HA . 30922 1
62 . 1 . 1 9 9 ASN HB2 H 1 2.876 0.001 . . . . . A A 9 ASN HB2 . 30922 1
63 . 1 . 1 9 9 ASN HB3 H 1 2.876 0.001 . . . . . A A 9 ASN HB3 . 30922 1
64 . 1 . 1 9 9 ASN HD21 H 1 7.735 0.001 . . . . . A A 9 ASN HD21 . 30922 1
65 . 1 . 1 9 9 ASN HD22 H 1 6.898 0.005 . . . . . A A 9 ASN HD22 . 30922 1
66 . 1 . 1 9 9 ASN CA C 13 55.937 0.000 . . . . . A A 9 ASN CA . 30922 1
67 . 1 . 1 9 9 ASN CB C 13 38.979 0.000 . . . . . A A 9 ASN CB . 30922 1
68 . 1 . 1 9 9 ASN N N 15 121.507 0.000 . . . . . A A 9 ASN N . 30922 1
69 . 1 . 1 9 9 ASN ND2 N 15 112.698 0.003 . . . . . A A 9 ASN ND2 . 30922 1
70 . 1 . 1 10 10 MET H H 1 7.778 0.001 . . . . . A A 10 MET H . 30922 1
71 . 1 . 1 10 10 MET HA H 1 4.189 0.009 . . . . . A A 10 MET HA . 30922 1
72 . 1 . 1 10 10 MET HB2 H 1 2.064 0.003 . . . . . A A 10 MET HB2 . 30922 1
73 . 1 . 1 10 10 MET HB3 H 1 2.064 0.003 . . . . . A A 10 MET HB3 . 30922 1
74 . 1 . 1 10 10 MET HG2 H 1 2.554 0.006 . . . . . A A 10 MET HG2 . 30922 1
75 . 1 . 1 10 10 MET HG3 H 1 2.554 0.006 . . . . . A A 10 MET HG3 . 30922 1
76 . 1 . 1 10 10 MET HE1 H 1 2.043 0.000 . . . . . A A 10 MET HE1 . 30922 1
77 . 1 . 1 10 10 MET HE2 H 1 2.043 0.000 . . . . . A A 10 MET HE2 . 30922 1
78 . 1 . 1 10 10 MET HE3 H 1 2.043 0.000 . . . . . A A 10 MET HE3 . 30922 1
79 . 1 . 1 10 10 MET CA C 13 57.195 0.000 . . . . . A A 10 MET CA . 30922 1
80 . 1 . 1 10 10 MET CB C 13 32.374 0.000 . . . . . A A 10 MET CB . 30922 1
81 . 1 . 1 10 10 MET CG C 13 31.759 0.000 . . . . . A A 10 MET CG . 30922 1
82 . 1 . 1 10 10 MET CE C 13 16.699 0.000 . . . . . A A 10 MET CE . 30922 1
83 . 1 . 1 10 10 MET N N 15 117.217 0.000 . . . . . A A 10 MET N . 30922 1
84 . 1 . 1 11 11 ASN H H 1 7.775 0.002 . . . . . A A 11 ASN H . 30922 1
85 . 1 . 1 11 11 ASN HA H 1 4.693 0.015 . . . . . A A 11 ASN HA . 30922 1
86 . 1 . 1 11 11 ASN HB2 H 1 2.799 0.008 . . . . . A A 11 ASN HB2 . 30922 1
87 . 1 . 1 11 11 ASN HB3 H 1 2.948 0.012 . . . . . A A 11 ASN HB3 . 30922 1
88 . 1 . 1 11 11 ASN HD21 H 1 7.476 0.001 . . . . . A A 11 ASN HD21 . 30922 1
89 . 1 . 1 11 11 ASN HD22 H 1 6.809 0.005 . . . . . A A 11 ASN HD22 . 30922 1
90 . 1 . 1 11 11 ASN CA C 13 53.631 0.000 . . . . . A A 11 ASN CA . 30922 1
91 . 1 . 1 11 11 ASN CB C 13 39.044 0.004 . . . . . A A 11 ASN CB . 30922 1
92 . 1 . 1 11 11 ASN N N 15 116.024 0.000 . . . . . A A 11 ASN N . 30922 1
93 . 1 . 1 11 11 ASN ND2 N 15 111.856 0.006 . . . . . A A 11 ASN ND2 . 30922 1
94 . 1 . 1 12 12 ASN H H 1 7.783 0.001 . . . . . A A 12 ASN H . 30922 1
95 . 1 . 1 12 12 ASN HA H 1 5.154 0.010 . . . . . A A 12 ASN HA . 30922 1
96 . 1 . 1 12 12 ASN HB2 H 1 2.781 0.003 . . . . . A A 12 ASN HB2 . 30922 1
97 . 1 . 1 12 12 ASN HB3 H 1 2.781 0.003 . . . . . A A 12 ASN HB3 . 30922 1
98 . 1 . 1 12 12 ASN HD21 H 1 7.825 0.001 . . . . . A A 12 ASN HD21 . 30922 1
99 . 1 . 1 12 12 ASN HD22 H 1 7.128 0.002 . . . . . A A 12 ASN HD22 . 30922 1
100 . 1 . 1 12 12 ASN CA C 13 51.861 0.000 . . . . . A A 12 ASN CA . 30922 1
101 . 1 . 1 12 12 ASN CB C 13 39.929 0.000 . . . . . A A 12 ASN CB . 30922 1
102 . 1 . 1 12 12 ASN N N 15 118.837 0.000 . . . . . A A 12 ASN N . 30922 1
103 . 1 . 1 12 12 ASN ND2 N 15 116.292 0.009 . . . . . A A 12 ASN ND2 . 30922 1
104 . 1 . 1 13 13 PRO HA H 1 4.430 0.016 . . . . . A A 13 PRO HA . 30922 1
105 . 1 . 1 13 13 PRO HB2 H 1 1.979 0.004 . . . . . A A 13 PRO HB2 . 30922 1
106 . 1 . 1 13 13 PRO HB3 H 1 2.305 0.009 . . . . . A A 13 PRO HB3 . 30922 1
107 . 1 . 1 13 13 PRO HG2 H 1 2.033 0.005 . . . . . A A 13 PRO HG2 . 30922 1
108 . 1 . 1 13 13 PRO HG3 H 1 2.033 0.005 . . . . . A A 13 PRO HG3 . 30922 1
109 . 1 . 1 13 13 PRO HD2 H 1 3.595 0.002 . . . . . A A 13 PRO HD2 . 30922 1
110 . 1 . 1 13 13 PRO HD3 H 1 3.718 0.048 . . . . . A A 13 PRO HD3 . 30922 1
111 . 1 . 1 13 13 PRO CA C 13 64.872 0.000 . . . . . A A 13 PRO CA . 30922 1
112 . 1 . 1 13 13 PRO CB C 13 31.654 0.019 . . . . . A A 13 PRO CB . 30922 1
113 . 1 . 1 13 13 PRO CG C 13 27.312 0.000 . . . . . A A 13 PRO CG . 30922 1
114 . 1 . 1 13 13 PRO CD C 13 50.640 0.000 . . . . . A A 13 PRO CD . 30922 1
115 . 1 . 1 14 14 ASP H H 1 8.429 0.002 . . . . . A A 14 ASP H . 30922 1
116 . 1 . 1 14 14 ASP HA H 1 4.446 0.010 . . . . . A A 14 ASP HA . 30922 1
117 . 1 . 1 14 14 ASP HB2 H 1 2.575 0.011 . . . . . A A 14 ASP HB2 . 30922 1
118 . 1 . 1 14 14 ASP HB3 H 1 2.629 0.011 . . . . . A A 14 ASP HB3 . 30922 1
119 . 1 . 1 14 14 ASP CA C 13 55.950 0.000 . . . . . A A 14 ASP CA . 30922 1
120 . 1 . 1 14 14 ASP CB C 13 40.210 0.002 . . . . . A A 14 ASP CB . 30922 1
121 . 1 . 1 14 14 ASP N N 15 118.105 0.000 . . . . . A A 14 ASP N . 30922 1
122 . 1 . 1 15 15 TYR H H 1 7.747 0.002 . . . . . A A 15 TYR H . 30922 1
123 . 1 . 1 15 15 TYR HA H 1 4.466 0.011 . . . . . A A 15 TYR HA . 30922 1
124 . 1 . 1 15 15 TYR HB2 H 1 3.020 0.008 . . . . . A A 15 TYR HB2 . 30922 1
125 . 1 . 1 15 15 TYR HB3 H 1 3.106 0.003 . . . . . A A 15 TYR HB3 . 30922 1
126 . 1 . 1 15 15 TYR HD1 H 1 7.089 0.001 . . . . . A A 15 TYR HD1 . 30922 1
127 . 1 . 1 15 15 TYR HD2 H 1 7.089 0.001 . . . . . A A 15 TYR HD2 . 30922 1
128 . 1 . 1 15 15 TYR HE1 H 1 6.796 0.005 . . . . . A A 15 TYR HE1 . 30922 1
129 . 1 . 1 15 15 TYR HE2 H 1 6.796 0.005 . . . . . A A 15 TYR HE2 . 30922 1
130 . 1 . 1 15 15 TYR CA C 13 58.805 0.000 . . . . . A A 15 TYR CA . 30922 1
131 . 1 . 1 15 15 TYR CB C 13 39.495 0.007 . . . . . A A 15 TYR CB . 30922 1
132 . 1 . 1 15 15 TYR CD1 C 13 133.191 0.000 . . . . . A A 15 TYR CD1 . 30922 1
133 . 1 . 1 15 15 TYR CE1 C 13 118.302 0.000 . . . . . A A 15 TYR CE1 . 30922 1
134 . 1 . 1 15 15 TYR N N 15 118.913 0.000 . . . . . A A 15 TYR N . 30922 1
135 . 1 . 1 16 16 CYS H H 1 8.117 0.001 . . . . . A A 16 CYS H . 30922 1
136 . 1 . 1 16 16 CYS HA H 1 4.684 0.011 . . . . . A A 16 CYS HA . 30922 1
137 . 1 . 1 16 16 CYS HB2 H 1 2.806 0.010 . . . . . A A 16 CYS HB2 . 30922 1
138 . 1 . 1 16 16 CYS HB3 H 1 3.273 0.010 . . . . . A A 16 CYS HB3 . 30922 1
139 . 1 . 1 16 16 CYS CA C 13 54.109 0.000 . . . . . A A 16 CYS CA . 30922 1
140 . 1 . 1 16 16 CYS CB C 13 39.526 0.040 . . . . . A A 16 CYS CB . 30922 1
141 . 1 . 1 16 16 CYS N N 15 116.606 0.000 . . . . . A A 16 CYS N . 30922 1
142 . 1 . 1 17 17 NH2 N N 15 108.168 0.000 . . . . . A A 17 NH2 N . 30922 1
143 . 1 . 1 17 17 NH2 HN1 H 1 7.250 0.000 . . . . . A A 17 NH2 HN1 . 30922 1
stop_
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