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 30609
_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' . . . 30609 1
2 '2D 1H-1H NOESY' . . . 30609 1
3 '2D 1H-15N HSQC' . . . 30609 1
4 '2D 1H-13C HSQC' . . . 30609 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 3.891 0.000 . . . . . . A 1 GLY HA2 . 30609 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.891 0.000 . . . . . . A 1 GLY HA3 . 30609 1
3 . 1 . 1 1 1 GLY CA C 13 45.728 0.000 . . . . . . A 1 GLY CA . 30609 1
4 . 1 . 1 2 2 CYS H H 1 8.848 0.002 . . . . . . A 2 CYS H . 30609 1
5 . 1 . 1 2 2 CYS HA H 1 4.765 0.003 . . . . . . A 2 CYS HA . 30609 1
6 . 1 . 1 2 2 CYS HB2 H 1 2.992 0.006 . . . . . . A 2 CYS HB2 . 30609 1
7 . 1 . 1 2 2 CYS HB3 H 1 3.178 0.002 . . . . . . A 2 CYS HB3 . 30609 1
8 . 1 . 1 2 2 CYS CA C 13 58.136 0.000 . . . . . . A 2 CYS CA . 30609 1
9 . 1 . 1 2 2 CYS CB C 13 45.479 0.006 . . . . . . A 2 CYS CB . 30609 1
10 . 1 . 1 2 2 CYS N N 15 117.784 0.000 . . . . . . A 2 CYS N . 30609 1
11 . 1 . 1 3 3 CYS H H 1 8.939 0.002 . . . . . . A 3 CYS H . 30609 1
12 . 1 . 1 3 3 CYS HA H 1 4.727 0.005 . . . . . . A 3 CYS HA . 30609 1
13 . 1 . 1 3 3 CYS HB2 H 1 3.397 0.002 . . . . . . A 3 CYS HB2 . 30609 1
14 . 1 . 1 3 3 CYS HB3 H 1 3.027 0.003 . . . . . . A 3 CYS HB3 . 30609 1
15 . 1 . 1 3 3 CYS CA C 13 57.793 0.000 . . . . . . A 3 CYS CA . 30609 1
16 . 1 . 1 3 3 CYS CB C 13 44.050 0.012 . . . . . . A 3 CYS CB . 30609 1
17 . 1 . 1 3 3 CYS N N 15 121.535 0.000 . . . . . . A 3 CYS N . 30609 1
18 . 1 . 1 4 4 SER H H 1 9.009 0.002 . . . . . . A 4 SER H . 30609 1
19 . 1 . 1 4 4 SER HA H 1 4.377 0.003 . . . . . . A 4 SER HA . 30609 1
20 . 1 . 1 4 4 SER HB2 H 1 3.856 0.002 . . . . . . A 4 SER HB2 . 30609 1
21 . 1 . 1 4 4 SER HB3 H 1 3.934 0.003 . . . . . . A 4 SER HB3 . 30609 1
22 . 1 . 1 4 4 SER CA C 13 62.430 0.000 . . . . . . A 4 SER CA . 30609 1
23 . 1 . 1 4 4 SER CB C 13 66.300 0.000 . . . . . . A 4 SER CB . 30609 1
24 . 1 . 1 4 4 SER N N 15 123.163 0.000 . . . . . . A 4 SER N . 30609 1
25 . 1 . 1 5 5 ARG H H 1 7.672 0.002 . . . . . . A 5 ARG H . 30609 1
26 . 1 . 1 5 5 ARG HA H 1 4.772 0.002 . . . . . . A 5 ARG HA . 30609 1
27 . 1 . 1 5 5 ARG HB2 H 1 1.830 0.004 . . . . . . A 5 ARG HB2 . 30609 1
28 . 1 . 1 5 5 ARG HB3 H 1 1.712 0.002 . . . . . . A 5 ARG HB3 . 30609 1
29 . 1 . 1 5 5 ARG HG2 H 1 1.580 0.002 . . . . . . A 5 ARG HG2 . 30609 1
30 . 1 . 1 5 5 ARG HG3 H 1 1.580 0.002 . . . . . . A 5 ARG HG3 . 30609 1
31 . 1 . 1 5 5 ARG HD2 H 1 3.199 0.003 . . . . . . A 5 ARG HD2 . 30609 1
32 . 1 . 1 5 5 ARG HD3 H 1 3.199 0.003 . . . . . . A 5 ARG HD3 . 30609 1
33 . 1 . 1 5 5 ARG HE H 1 7.202 0.000 . . . . . . A 5 ARG HE . 30609 1
34 . 1 . 1 5 5 ARG CA C 13 55.908 0.000 . . . . . . A 5 ARG CA . 30609 1
35 . 1 . 1 5 5 ARG CB C 13 33.615 0.006 . . . . . . A 5 ARG CB . 30609 1
36 . 1 . 1 5 5 ARG CG C 13 29.005 0.000 . . . . . . A 5 ARG CG . 30609 1
37 . 1 . 1 5 5 ARG N N 15 121.276 0.000 . . . . . . A 5 ARG N . 30609 1
38 . 1 . 1 6 6 PRO HA H 1 4.495 0.004 . . . . . . A 6 PRO HA . 30609 1
39 . 1 . 1 6 6 PRO HB2 H 1 1.885 0.001 . . . . . . A 6 PRO HB2 . 30609 1
40 . 1 . 1 6 6 PRO HB3 H 1 2.379 0.000 . . . . . . A 6 PRO HB3 . 30609 1
41 . 1 . 1 6 6 PRO HG2 H 1 2.017 0.000 . . . . . . A 6 PRO HG2 . 30609 1
42 . 1 . 1 6 6 PRO HG3 H 1 1.959 0.000 . . . . . . A 6 PRO HG3 . 30609 1
43 . 1 . 1 6 6 PRO HD2 H 1 3.654 0.003 . . . . . . A 6 PRO HD2 . 30609 1
44 . 1 . 1 6 6 PRO HD3 H 1 3.576 0.007 . . . . . . A 6 PRO HD3 . 30609 1
45 . 1 . 1 6 6 PRO CA C 13 64.623 0.000 . . . . . . A 6 PRO CA . 30609 1
46 . 1 . 1 6 6 PRO CB C 13 33.418 0.031 . . . . . . A 6 PRO CB . 30609 1
47 . 1 . 1 6 6 PRO CG C 13 29.528 0.000 . . . . . . A 6 PRO CG . 30609 1
48 . 1 . 1 7 7 PRO HA H 1 4.513 0.005 . . . . . . A 7 PRO HA . 30609 1
49 . 1 . 1 7 7 PRO HB2 H 1 2.362 0.006 . . . . . . A 7 PRO HB2 . 30609 1
50 . 1 . 1 7 7 PRO HB3 H 1 2.046 0.003 . . . . . . A 7 PRO HB3 . 30609 1
51 . 1 . 1 7 7 PRO HG2 H 1 2.020 0.000 . . . . . . A 7 PRO HG2 . 30609 1
52 . 1 . 1 7 7 PRO HG3 H 1 1.954 0.000 . . . . . . A 7 PRO HG3 . 30609 1
53 . 1 . 1 7 7 PRO HD2 H 1 3.617 0.000 . . . . . . A 7 PRO HD2 . 30609 1
54 . 1 . 1 7 7 PRO HD3 H 1 3.531 0.000 . . . . . . A 7 PRO HD3 . 30609 1
55 . 1 . 1 7 7 PRO CA C 13 64.933 0.000 . . . . . . A 7 PRO CA . 30609 1
56 . 1 . 1 7 7 PRO CB C 13 36.897 0.018 . . . . . . A 7 PRO CB . 30609 1
57 . 1 . 1 7 7 PRO CG C 13 27.577 0.006 . . . . . . A 7 PRO CG . 30609 1
58 . 1 . 1 8 8 CYS H H 1 9.092 0.003 . . . . . . A 8 CYS H . 30609 1
59 . 1 . 1 8 8 CYS HA H 1 4.893 0.003 . . . . . . A 8 CYS HA . 30609 1
60 . 1 . 1 8 8 CYS HB2 H 1 3.393 0.001 . . . . . . A 8 CYS HB2 . 30609 1
61 . 1 . 1 8 8 CYS HB3 H 1 2.821 0.003 . . . . . . A 8 CYS HB3 . 30609 1
62 . 1 . 1 8 8 CYS CA C 13 57.068 0.000 . . . . . . A 8 CYS CA . 30609 1
63 . 1 . 1 8 8 CYS CB C 13 43.792 0.000 . . . . . . A 8 CYS CB . 30609 1
64 . 1 . 1 8 8 CYS N N 15 122.998 0.000 . . . . . . A 8 CYS N . 30609 1
65 . 1 . 1 9 9 ILE H H 1 8.609 0.002 . . . . . . A 9 ILE H . 30609 1
66 . 1 . 1 9 9 ILE HA H 1 4.168 0.001 . . . . . . A 9 ILE HA . 30609 1
67 . 1 . 1 9 9 ILE HB H 1 1.959 0.003 . . . . . . A 9 ILE HB . 30609 1
68 . 1 . 1 9 9 ILE HG12 H 1 1.250 0.003 . . . . . . A 9 ILE HG12 . 30609 1
69 . 1 . 1 9 9 ILE HG13 H 1 1.446 0.004 . . . . . . A 9 ILE HG13 . 30609 1
70 . 1 . 1 9 9 ILE HG21 H 1 0.949 0.002 . . . . . . A 9 ILE HG21 . 30609 1
71 . 1 . 1 9 9 ILE HG22 H 1 0.949 0.002 . . . . . . A 9 ILE HG22 . 30609 1
72 . 1 . 1 9 9 ILE HG23 H 1 0.949 0.002 . . . . . . A 9 ILE HG23 . 30609 1
73 . 1 . 1 9 9 ILE HD11 H 1 0.890 0.003 . . . . . . A 9 ILE HD11 . 30609 1
74 . 1 . 1 9 9 ILE HD12 H 1 0.890 0.003 . . . . . . A 9 ILE HD12 . 30609 1
75 . 1 . 1 9 9 ILE HD13 H 1 0.890 0.003 . . . . . . A 9 ILE HD13 . 30609 1
76 . 1 . 1 9 9 ILE CA C 13 64.220 0.000 . . . . . . A 9 ILE CA . 30609 1
77 . 1 . 1 9 9 ILE CB C 13 41.136 0.000 . . . . . . A 9 ILE CB . 30609 1
78 . 1 . 1 9 9 ILE CG1 C 13 29.811 0.000 . . . . . . A 9 ILE CG1 . 30609 1
79 . 1 . 1 9 9 ILE CG2 C 13 20.277 0.000 . . . . . . A 9 ILE CG2 . 30609 1
80 . 1 . 1 9 9 ILE CD1 C 13 15.585 0.000 . . . . . . A 9 ILE CD1 . 30609 1
81 . 1 . 1 9 9 ILE N N 15 122.644 0.000 . . . . . . A 9 ILE N . 30609 1
82 . 1 . 1 10 10 ALA H H 1 8.468 0.001 . . . . . . A 10 ALA H . 30609 1
83 . 1 . 1 10 10 ALA HA H 1 4.205 0.004 . . . . . . A 10 ALA HA . 30609 1
84 . 1 . 1 10 10 ALA HB1 H 1 1.383 0.003 . . . . . . A 10 ALA HB1 . 30609 1
85 . 1 . 1 10 10 ALA HB2 H 1 1.383 0.003 . . . . . . A 10 ALA HB2 . 30609 1
86 . 1 . 1 10 10 ALA HB3 H 1 1.383 0.003 . . . . . . A 10 ALA HB3 . 30609 1
87 . 1 . 1 10 10 ALA CA C 13 55.797 0.000 . . . . . . A 10 ALA CA . 30609 1
88 . 1 . 1 10 10 ALA CB C 13 21.517 0.000 . . . . . . A 10 ALA CB . 30609 1
89 . 1 . 1 10 10 ALA N N 15 126.183 0.000 . . . . . . A 10 ALA N . 30609 1
90 . 1 . 1 11 11 ASN H H 1 8.360 0.003 . . . . . . A 11 ASN H . 30609 1
91 . 1 . 1 11 11 ASN HA H 1 4.552 0.002 . . . . . . A 11 ASN HA . 30609 1
92 . 1 . 1 11 11 ASN HB2 H 1 2.805 0.002 . . . . . . A 11 ASN HB2 . 30609 1
93 . 1 . 1 11 11 ASN HB3 H 1 2.805 0.002 . . . . . . A 11 ASN HB3 . 30609 1
94 . 1 . 1 11 11 ASN HD21 H 1 6.971 0.000 . . . . . . A 11 ASN HD21 . 30609 1
95 . 1 . 1 11 11 ASN HD22 H 1 7.685 0.006 . . . . . . A 11 ASN HD22 . 30609 1
96 . 1 . 1 11 11 ASN CA C 13 56.145 0.000 . . . . . . A 11 ASN CA . 30609 1
97 . 1 . 1 11 11 ASN CB C 13 40.767 0.000 . . . . . . A 11 ASN CB . 30609 1
98 . 1 . 1 11 11 ASN N N 15 115.637 0.000 . . . . . . A 11 ASN N . 30609 1
99 . 1 . 1 11 11 ASN ND2 N 15 112.878 0.000 . . . . . . A 11 ASN ND2 . 30609 1
100 . 1 . 1 12 12 ASN H H 1 8.082 0.001 . . . . . . A 12 ASN H . 30609 1
101 . 1 . 1 12 12 ASN HA H 1 4.937 0.008 . . . . . . A 12 ASN HA . 30609 1
102 . 1 . 1 12 12 ASN HB2 H 1 2.698 0.004 . . . . . . A 12 ASN HB2 . 30609 1
103 . 1 . 1 12 12 ASN HB3 H 1 2.819 0.003 . . . . . . A 12 ASN HB3 . 30609 1
104 . 1 . 1 12 12 ASN HD21 H 1 7.671 0.003 . . . . . . A 12 ASN HD21 . 30609 1
105 . 1 . 1 12 12 ASN HD22 H 1 6.992 0.002 . . . . . . A 12 ASN HD22 . 30609 1
106 . 1 . 1 12 12 ASN CA C 13 53.878 0.000 . . . . . . A 12 ASN CA . 30609 1
107 . 1 . 1 12 12 ASN CB C 13 41.591 0.000 . . . . . . A 12 ASN CB . 30609 1
108 . 1 . 1 12 12 ASN N N 15 118.516 0.000 . . . . . . A 12 ASN N . 30609 1
109 . 1 . 1 12 12 ASN ND2 N 15 112.540 0.013 . . . . . . A 12 ASN ND2 . 30609 1
110 . 1 . 1 13 13 PRO HA H 1 4.429 0.003 . . . . . . A 13 PRO HA . 30609 1
111 . 1 . 1 13 13 PRO HB2 H 1 2.232 0.001 . . . . . . A 13 PRO HB2 . 30609 1
112 . 1 . 1 13 13 PRO HB3 H 1 1.982 0.007 . . . . . . A 13 PRO HB3 . 30609 1
113 . 1 . 1 13 13 PRO HG2 H 1 1.976 0.002 . . . . . . A 13 PRO HG2 . 30609 1
114 . 1 . 1 13 13 PRO HG3 H 1 2.018 0.000 . . . . . . A 13 PRO HG3 . 30609 1
115 . 1 . 1 13 13 PRO HD2 H 1 3.738 0.008 . . . . . . A 13 PRO HD2 . 30609 1
116 . 1 . 1 13 13 PRO HD3 H 1 3.742 0.008 . . . . . . A 13 PRO HD3 . 30609 1
117 . 1 . 1 13 13 PRO CA C 13 66.675 0.000 . . . . . . A 13 PRO CA . 30609 1
118 . 1 . 1 13 13 PRO CB C 13 34.951 0.000 . . . . . . A 13 PRO CB . 30609 1
119 . 1 . 1 13 13 PRO CG C 13 29.947 0.000 . . . . . . A 13 PRO CG . 30609 1
120 . 1 . 1 14 14 ASP H H 1 8.410 0.001 . . . . . . A 14 ASP H . 30609 1
121 . 1 . 1 14 14 ASP HA H 1 4.697 0.003 . . . . . . A 14 ASP HA . 30609 1
122 . 1 . 1 14 14 ASP HB2 H 1 2.803 0.015 . . . . . . A 14 ASP HB2 . 30609 1
123 . 1 . 1 14 14 ASP HB3 H 1 2.887 0.011 . . . . . . A 14 ASP HB3 . 30609 1
124 . 1 . 1 14 14 ASP CA C 13 55.935 0.000 . . . . . . A 14 ASP CA . 30609 1
125 . 1 . 1 14 14 ASP CB C 13 41.364 0.006 . . . . . . A 14 ASP CB . 30609 1
126 . 1 . 1 14 14 ASP N N 15 118.634 0.000 . . . . . . A 14 ASP N . 30609 1
127 . 1 . 1 15 15 LEU H H 1 8.287 0.002 . . . . . . A 15 LEU H . 30609 1
128 . 1 . 1 15 15 LEU HA H 1 4.571 0.003 . . . . . . A 15 LEU HA . 30609 1
129 . 1 . 1 15 15 LEU HB2 H 1 1.679 0.002 . . . . . . A 15 LEU HB2 . 30609 1
130 . 1 . 1 15 15 LEU HB3 H 1 1.679 0.002 . . . . . . A 15 LEU HB3 . 30609 1
131 . 1 . 1 15 15 LEU HG H 1 1.683 0.004 . . . . . . A 15 LEU HG . 30609 1
132 . 1 . 1 15 15 LEU HD11 H 1 0.877 0.004 . . . . . . A 15 LEU HD11 . 30609 1
133 . 1 . 1 15 15 LEU HD12 H 1 0.877 0.004 . . . . . . A 15 LEU HD12 . 30609 1
134 . 1 . 1 15 15 LEU HD13 H 1 0.877 0.004 . . . . . . A 15 LEU HD13 . 30609 1
135 . 1 . 1 15 15 LEU HD21 H 1 0.953 0.001 . . . . . . A 15 LEU HD21 . 30609 1
136 . 1 . 1 15 15 LEU HD22 H 1 0.953 0.001 . . . . . . A 15 LEU HD22 . 30609 1
137 . 1 . 1 15 15 LEU HD23 H 1 0.953 0.001 . . . . . . A 15 LEU HD23 . 30609 1
138 . 1 . 1 15 15 LEU CA C 13 57.595 0.000 . . . . . . A 15 LEU CA . 30609 1
139 . 1 . 1 15 15 LEU CG C 13 29.716 0.000 . . . . . . A 15 LEU CG . 30609 1
140 . 1 . 1 15 15 LEU CD2 C 13 27.848 0.000 . . . . . . A 15 LEU CD2 . 30609 1
141 . 1 . 1 15 15 LEU N N 15 122.998 0.000 . . . . . . A 15 LEU N . 30609 1
142 . 1 . 1 16 16 CYS H H 1 8.175 0.001 . . . . . . A 16 CYS H . 30609 1
143 . 1 . 1 16 16 CYS HA H 1 4.456 0.014 . . . . . . A 16 CYS HA . 30609 1
144 . 1 . 1 16 16 CYS HB2 H 1 3.256 0.006 . . . . . . A 16 CYS HB2 . 30609 1
145 . 1 . 1 16 16 CYS HB3 H 1 2.935 0.008 . . . . . . A 16 CYS HB3 . 30609 1
146 . 1 . 1 16 16 CYS CA C 13 59.039 0.000 . . . . . . A 16 CYS CA . 30609 1
147 . 1 . 1 16 16 CYS CB C 13 45.179 0.000 . . . . . . A 16 CYS CB . 30609 1
148 . 1 . 1 16 16 CYS N N 15 123.541 0.000 . . . . . . A 16 CYS N . 30609 1
stop_
save_