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 30918
_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' . . . 30918 1
2 '1H-1H NOESY' . . . 30918 1
3 '1H-15N HSQC' . . . 30918 1
4 '1H-13C HSQC' . . . 30918 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 H H 1 8.613 0.000 . . . . . A A 1 GLY H1 . 30918 1
2 . 1 . 1 1 1 GLY HA2 H 1 3.902 0.000 . . . . . A A 1 GLY HA2 . 30918 1
3 . 1 . 1 1 1 GLY HA3 H 1 3.902 0.000 . . . . . A A 1 GLY HA3 . 30918 1
4 . 1 . 1 1 1 GLY CA C 13 43.335 0.000 . . . . . A A 1 GLY CA . 30918 1
5 . 1 . 1 2 2 GLY HA3 H 1 4.111 0.006 . . . . . A A 2 GLY HA3 . 30918 1
6 . 1 . 1 2 2 GLY CA C 13 45.061 0.000 . . . . . A A 2 GLY CA . 30918 1
7 . 1 . 1 2 2 GLY N N 15 108.119 0.000 . . . . . A A 2 GLY N . 30918 1
8 . 1 . 1 3 3 CYS H H 1 8.799 0.000 . . . . . A A 3 CYS H . 30918 1
9 . 1 . 1 3 3 CYS HA H 1 4.593 0.001 . . . . . A A 3 CYS HA . 30918 1
10 . 1 . 1 3 3 CYS HB2 H 1 2.865 0.004 . . . . . A A 3 CYS HB2 . 30918 1
11 . 1 . 1 3 3 CYS HB3 H 1 3.398 0.000 . . . . . A A 3 CYS HB3 . 30918 1
12 . 1 . 1 3 3 CYS CA C 13 58.599 0.000 . . . . . A A 3 CYS CA . 30918 1
13 . 1 . 1 3 3 CYS CB C 13 42.396 0.000 . . . . . A A 3 CYS CB . 30918 1
14 . 1 . 1 3 3 CYS N N 15 120.478 0.000 . . . . . A A 3 CYS N . 30918 1
15 . 1 . 1 4 4 CYS H H 1 8.741 0.001 . . . . . A A 4 CYS H . 30918 1
16 . 1 . 1 4 4 CYS HA H 1 4.482 0.000 . . . . . A A 4 CYS HA . 30918 1
17 . 1 . 1 4 4 CYS HB2 H 1 2.850 0.000 . . . . . A A 4 CYS HB2 . 30918 1
18 . 1 . 1 4 4 CYS HB3 H 1 3.359 0.000 . . . . . A A 4 CYS HB3 . 30918 1
19 . 1 . 1 4 4 CYS CA C 13 55.824 0.000 . . . . . A A 4 CYS CA . 30918 1
20 . 1 . 1 4 4 CYS CB C 13 36.093 0.000 . . . . . A A 4 CYS CB . 30918 1
21 . 1 . 1 4 4 CYS N N 15 112.762 0.000 . . . . . A A 4 CYS N . 30918 1
22 . 1 . 1 5 5 SER H H 1 7.989 0.000 . . . . . A A 5 SER H . 30918 1
23 . 1 . 1 5 5 SER HA H 1 4.423 0.000 . . . . . A A 5 SER HA . 30918 1
24 . 1 . 1 5 5 SER HB2 H 1 3.830 0.004 . . . . . A A 5 SER HB2 . 30918 1
25 . 1 . 1 5 5 SER HB3 H 1 3.830 0.004 . . . . . A A 5 SER HB3 . 30918 1
26 . 1 . 1 5 5 SER CA C 13 59.038 0.000 . . . . . A A 5 SER CA . 30918 1
27 . 1 . 1 5 5 SER CB C 13 63.660 0.000 . . . . . A A 5 SER CB . 30918 1
28 . 1 . 1 5 5 SER N N 15 114.675 0.000 . . . . . A A 5 SER N . 30918 1
29 . 1 . 1 6 6 HIS H H 1 8.198 0.001 . . . . . A A 6 HIS H . 30918 1
30 . 1 . 1 6 6 HIS HA H 1 5.264 0.000 . . . . . A A 6 HIS HA . 30918 1
31 . 1 . 1 6 6 HIS HB2 H 1 3.360 0.002 . . . . . A A 6 HIS HB2 . 30918 1
32 . 1 . 1 6 6 HIS HB3 H 1 3.360 0.002 . . . . . A A 6 HIS HB3 . 30918 1
33 . 1 . 1 6 6 HIS HD2 H 1 7.324 0.002 . . . . . A A 6 HIS HD2 . 30918 1
34 . 1 . 1 6 6 HIS HE1 H 1 8.602 0.000 . . . . . A A 6 HIS HE1 . 30918 1
35 . 1 . 1 6 6 HIS CA C 13 52.283 0.000 . . . . . A A 6 HIS CA . 30918 1
36 . 1 . 1 6 6 HIS CB C 13 29.462 0.000 . . . . . A A 6 HIS CB . 30918 1
37 . 1 . 1 6 6 HIS N N 15 121.691 0.000 . . . . . A A 6 HIS N . 30918 1
38 . 1 . 1 7 7 PRO HA H 1 4.264 0.002 . . . . . A A 7 PRO HA . 30918 1
39 . 1 . 1 7 7 PRO HB2 H 1 1.993 0.000 . . . . . A A 7 PRO HB2 . 30918 1
40 . 1 . 1 7 7 PRO HB3 H 1 2.403 0.000 . . . . . A A 7 PRO HB3 . 30918 1
41 . 1 . 1 7 7 PRO HG2 H 1 2.037 0.000 . . . . . A A 7 PRO HG2 . 30918 1
42 . 1 . 1 7 7 PRO HG3 H 1 2.183 0.000 . . . . . A A 7 PRO HG3 . 30918 1
43 . 1 . 1 7 7 PRO HD2 H 1 3.934 0.001 . . . . . A A 7 PRO HD2 . 30918 1
44 . 1 . 1 7 7 PRO HD3 H 1 4.025 0.000 . . . . . A A 7 PRO HD3 . 30918 1
45 . 1 . 1 7 7 PRO CA C 13 66.203 0.000 . . . . . A A 7 PRO CA . 30918 1
46 . 1 . 1 7 7 PRO CB C 13 32.246 0.000 . . . . . A A 7 PRO CB . 30918 1
47 . 1 . 1 7 7 PRO CG C 13 27.310 0.000 . . . . . A A 7 PRO CG . 30918 1
48 . 1 . 1 7 7 PRO CD C 13 51.119 0.000 . . . . . A A 7 PRO CD . 30918 1
49 . 1 . 1 8 8 ALA H H 1 8.655 0.001 . . . . . A A 8 ALA H . 30918 1
50 . 1 . 1 8 8 ALA HA H 1 4.209 0.001 . . . . . A A 8 ALA HA . 30918 1
51 . 1 . 1 8 8 ALA HB1 H 1 1.388 0.001 . . . . . A A 8 ALA HB1 . 30918 1
52 . 1 . 1 8 8 ALA HB2 H 1 1.388 0.001 . . . . . A A 8 ALA HB2 . 30918 1
53 . 1 . 1 8 8 ALA HB3 H 1 1.388 0.001 . . . . . A A 8 ALA HB3 . 30918 1
54 . 1 . 1 8 8 ALA CA C 13 54.470 0.000 . . . . . A A 8 ALA CA . 30918 1
55 . 1 . 1 8 8 ALA CB C 13 18.280 0.000 . . . . . A A 8 ALA CB . 30918 1
56 . 1 . 1 8 8 ALA N N 15 125.560 0.000 . . . . . A A 8 ALA N . 30918 1
57 . 1 . 1 9 9 CYS H H 1 7.654 0.002 . . . . . A A 9 CYS H . 30918 1
58 . 1 . 1 9 9 CYS HA H 1 4.438 0.000 . . . . . A A 9 CYS HA . 30918 1
59 . 1 . 1 9 9 CYS HB2 H 1 3.279 0.000 . . . . . A A 9 CYS HB2 . 30918 1
60 . 1 . 1 9 9 CYS HB3 H 1 4.122 0.002 . . . . . A A 9 CYS HB3 . 30918 1
61 . 1 . 1 9 9 CYS CA C 13 55.316 0.000 . . . . . A A 9 CYS CA . 30918 1
62 . 1 . 1 9 9 CYS CB C 13 41.459 0.000 . . . . . A A 9 CYS CB . 30918 1
63 . 1 . 1 9 9 CYS N N 15 117.718 0.000 . . . . . A A 9 CYS N . 30918 1
64 . 1 . 1 10 10 ALA H H 1 8.655 0.001 . . . . . A A 10 ALA H . 30918 1
65 . 1 . 1 10 10 ALA HA H 1 4.110 0.003 . . . . . A A 10 ALA HA . 30918 1
66 . 1 . 1 10 10 ALA HB1 H 1 1.476 0.002 . . . . . A A 10 ALA HB1 . 30918 1
67 . 1 . 1 10 10 ALA HB2 H 1 1.476 0.002 . . . . . A A 10 ALA HB2 . 30918 1
68 . 1 . 1 10 10 ALA HB3 H 1 1.476 0.002 . . . . . A A 10 ALA HB3 . 30918 1
69 . 1 . 1 10 10 ALA CA C 13 55.146 0.000 . . . . . A A 10 ALA CA . 30918 1
70 . 1 . 1 10 10 ALA CB C 13 18.572 0.000 . . . . . A A 10 ALA CB . 30918 1
71 . 1 . 1 10 10 ALA N N 15 125.497 0.000 . . . . . A A 10 ALA N . 30918 1
72 . 1 . 1 11 11 ALA H H 1 7.984 0.001 . . . . . A A 11 ALA H . 30918 1
73 . 1 . 1 11 11 ALA HA H 1 4.129 0.000 . . . . . A A 11 ALA HA . 30918 1
74 . 1 . 1 11 11 ALA HB1 H 1 1.435 0.007 . . . . . A A 11 ALA HB1 . 30918 1
75 . 1 . 1 11 11 ALA HB2 H 1 1.435 0.007 . . . . . A A 11 ALA HB2 . 30918 1
76 . 1 . 1 11 11 ALA HB3 H 1 1.435 0.007 . . . . . A A 11 ALA HB3 . 30918 1
77 . 1 . 1 11 11 ALA CA C 13 54.233 0.000 . . . . . A A 11 ALA CA . 30918 1
78 . 1 . 1 11 11 ALA CB C 13 18.465 0.000 . . . . . A A 11 ALA CB . 30918 1
79 . 1 . 1 11 11 ALA N N 15 118.408 0.000 . . . . . A A 11 ALA N . 30918 1
80 . 1 . 1 12 12 ASN H H 1 7.405 0.000 . . . . . A A 12 ASN H . 30918 1
81 . 1 . 1 12 12 ASN HA H 1 4.899 0.000 . . . . . A A 12 ASN HA . 30918 1
82 . 1 . 1 12 12 ASN HB2 H 1 2.740 0.001 . . . . . A A 12 ASN HB2 . 30918 1
83 . 1 . 1 12 12 ASN HB3 H 1 3.006 0.002 . . . . . A A 12 ASN HB3 . 30918 1
84 . 1 . 1 12 12 ASN HD21 H 1 7.572 0.000 . . . . . A A 12 ASN HD21 . 30918 1
85 . 1 . 1 12 12 ASN HD22 H 1 6.915 0.000 . . . . . A A 12 ASN HD22 . 30918 1
86 . 1 . 1 12 12 ASN CA C 13 53.236 0.000 . . . . . A A 12 ASN CA . 30918 1
87 . 1 . 1 12 12 ASN CB C 13 39.662 0.000 . . . . . A A 12 ASN CB . 30918 1
88 . 1 . 1 12 12 ASN N N 15 118.700 0.000 . . . . . A A 12 ASN N . 30918 1
89 . 1 . 1 13 13 ASN H H 1 7.856 0.001 . . . . . A A 13 ASN H . 30918 1
90 . 1 . 1 13 13 ASN HA H 1 5.082 0.001 . . . . . A A 13 ASN HA . 30918 1
91 . 1 . 1 13 13 ASN HB2 H 1 2.870 0.004 . . . . . A A 13 ASN HB2 . 30918 1
92 . 1 . 1 13 13 ASN HB3 H 1 2.594 0.002 . . . . . A A 13 ASN HB3 . 30918 1
93 . 1 . 1 13 13 ASN HD21 H 1 7.642 0.000 . . . . . A A 13 ASN HD21 . 30918 1
94 . 1 . 1 13 13 ASN HD22 H 1 7.171 0.000 . . . . . A A 13 ASN HD22 . 30918 1
95 . 1 . 1 13 13 ASN CA C 13 52.982 0.000 . . . . . A A 13 ASN CA . 30918 1
96 . 1 . 1 13 13 ASN CB C 13 40.194 0.000 . . . . . A A 13 ASN CB . 30918 1
97 . 1 . 1 13 13 ASN N N 15 120.572 0.000 . . . . . A A 13 ASN N . 30918 1
98 . 1 . 1 14 14 GLN H H 1 8.647 0.001 . . . . . A A 14 GLN H . 30918 1
99 . 1 . 1 14 14 GLN HA H 1 4.044 0.002 . . . . . A A 14 GLN HA . 30918 1
100 . 1 . 1 14 14 GLN HB2 H 1 2.030 0.000 . . . . . A A 14 GLN HB2 . 30918 1
101 . 1 . 1 14 14 GLN HB3 H 1 2.101 0.000 . . . . . A A 14 GLN HB3 . 30918 1
102 . 1 . 1 14 14 GLN HG2 H 1 2.402 0.006 . . . . . A A 14 GLN HG2 . 30918 1
103 . 1 . 1 14 14 GLN HG3 H 1 2.402 0.006 . . . . . A A 14 GLN HG3 . 30918 1
104 . 1 . 1 14 14 GLN HE21 H 1 7.470 0.000 . . . . . A A 14 GLN HE21 . 30918 1
105 . 1 . 1 14 14 GLN HE22 H 1 6.906 0.002 . . . . . A A 14 GLN HE22 . 30918 1
106 . 1 . 1 14 14 GLN CA C 13 58.835 0.000 . . . . . A A 14 GLN CA . 30918 1
107 . 1 . 1 14 14 GLN CB C 13 28.753 0.000 . . . . . A A 14 GLN CB . 30918 1
108 . 1 . 1 14 14 GLN CG C 13 34.245 0.000 . . . . . A A 14 GLN CG . 30918 1
109 . 1 . 1 14 14 GLN N N 15 120.886 0.000 . . . . . A A 14 GLN N . 30918 1
110 . 1 . 1 15 15 ASP H H 1 8.675 0.001 . . . . . A A 15 ASP H . 30918 1
111 . 1 . 1 15 15 ASP HA H 1 4.445 0.000 . . . . . A A 15 ASP HA . 30918 1
112 . 1 . 1 15 15 ASP HB2 H 1 2.732 0.000 . . . . . A A 15 ASP HB2 . 30918 1
113 . 1 . 1 15 15 ASP HB3 H 1 2.790 0.000 . . . . . A A 15 ASP HB3 . 30918 1
114 . 1 . 1 15 15 ASP CA C 13 55.316 0.000 . . . . . A A 15 ASP CA . 30918 1
115 . 1 . 1 15 15 ASP CB C 13 38.118 0.000 . . . . . A A 15 ASP CB . 30918 1
116 . 1 . 1 15 15 ASP N N 15 117.937 0.000 . . . . . A A 15 ASP N . 30918 1
117 . 1 . 1 16 16 TYR H H 1 7.807 0.004 . . . . . A A 16 TYR H . 30918 1
118 . 1 . 1 16 16 TYR HA H 1 4.544 0.003 . . . . . A A 16 TYR HA . 30918 1
119 . 1 . 1 16 16 TYR HB2 H 1 2.996 0.000 . . . . . A A 16 TYR HB2 . 30918 1
120 . 1 . 1 16 16 TYR HB3 H 1 3.072 0.000 . . . . . A A 16 TYR HB3 . 30918 1
121 . 1 . 1 16 16 TYR HD1 H 1 7.066 0.004 . . . . . A A 16 TYR HD1 . 30918 1
122 . 1 . 1 16 16 TYR HD2 H 1 7.066 0.004 . . . . . A A 16 TYR HD2 . 30918 1
123 . 1 . 1 16 16 TYR HE1 H 1 6.819 0.000 . . . . . A A 16 TYR HE1 . 30918 1
124 . 1 . 1 16 16 TYR HE2 H 1 6.819 0.000 . . . . . A A 16 TYR HE2 . 30918 1
125 . 1 . 1 16 16 TYR CA C 13 59.052 0.000 . . . . . A A 16 TYR CA . 30918 1
126 . 1 . 1 16 16 TYR CB C 13 39.434 0.000 . . . . . A A 16 TYR CB . 30918 1
127 . 1 . 1 16 16 TYR N N 15 118.784 0.000 . . . . . A A 16 TYR N . 30918 1
128 . 1 . 1 17 17 CYS H H 1 8.197 0.002 . . . . . A A 17 CYS H . 30918 1
129 . 1 . 1 17 17 CYS HA H 1 4.707 0.000 . . . . . A A 17 CYS HA . 30918 1
130 . 1 . 1 17 17 CYS HB2 H 1 2.732 0.005 . . . . . A A 17 CYS HB2 . 30918 1
131 . 1 . 1 17 17 CYS HB3 H 1 3.325 0.000 . . . . . A A 17 CYS HB3 . 30918 1
132 . 1 . 1 17 17 CYS CA C 13 53.828 0.000 . . . . . A A 17 CYS CA . 30918 1
133 . 1 . 1 17 17 CYS CB C 13 38.295 0.000 . . . . . A A 17 CYS CB . 30918 1
134 . 1 . 1 17 17 CYS N N 15 117.078 0.000 . . . . . A A 17 CYS N . 30918 1
135 . 1 . 1 18 18 NH2 HN1 H 1 7.414 0.006 . . . . . A A 18 NH2 HN1 . 30918 1
136 . 1 . 1 18 18 NH2 HN2 H 1 7.327 0.000 . . . . . A A 18 NH2 HN2 . 30918 1
stop_
save_