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 30917
_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' . . . 30917 1
2 '1H-1H NOESY' . . . 30917 1
3 '1H-15N HSQC' . . . 30917 1
4 '1H-13C HSQC' . . . 30917 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 8.610 0.000 . . . . . A A 1 GLY H1 . 30917 1
2 . 1 . 1 1 1 GLY HA2 H 1 3.905 0.000 . . . . . A A 1 GLY HA2 . 30917 1
3 . 1 . 1 1 1 GLY HA3 H 1 3.905 0.000 . . . . . A A 1 GLY HA3 . 30917 1
4 . 1 . 1 1 1 GLY CA C 13 43.395 0.000 . . . . . A A 1 GLY CA . 30917 1
5 . 1 . 1 2 2 GLY HA2 H 1 4.123 0.000 . . . . . A A 2 GLY HA2 . 30917 1
6 . 1 . 1 2 2 GLY HA3 H 1 4.073 0.000 . . . . . A A 2 GLY HA3 . 30917 1
7 . 1 . 1 2 2 GLY CA C 13 45.291 0.000 . . . . . A A 2 GLY CA . 30917 1
8 . 1 . 1 2 2 GLY N N 15 108.274 0.000 . . . . . A A 2 GLY N . 30917 1
9 . 1 . 1 3 3 CYS H H 1 8.643 0.000 . . . . . A A 3 CYS H . 30917 1
10 . 1 . 1 3 3 CYS HA H 1 4.638 0.000 . . . . . A A 3 CYS HA . 30917 1
11 . 1 . 1 3 3 CYS HB2 H 1 3.017 0.003 . . . . . A A 3 CYS HB2 . 30917 1
12 . 1 . 1 3 3 CYS HB3 H 1 3.328 0.008 . . . . . A A 3 CYS HB3 . 30917 1
13 . 1 . 1 3 3 CYS CB C 13 41.898 0.000 . . . . . A A 3 CYS CB . 30917 1
14 . 1 . 1 3 3 CYS N N 15 120.105 0.000 . . . . . A A 3 CYS N . 30917 1
15 . 1 . 1 4 4 CYS H H 1 8.660 0.000 . . . . . A A 4 CYS H . 30917 1
16 . 1 . 1 4 4 CYS HA H 1 4.446 0.004 . . . . . A A 4 CYS HA . 30917 1
17 . 1 . 1 4 4 CYS HB2 H 1 2.886 0.000 . . . . . A A 4 CYS HB2 . 30917 1
18 . 1 . 1 4 4 CYS HB3 H 1 3.302 0.000 . . . . . A A 4 CYS HB3 . 30917 1
19 . 1 . 1 4 4 CYS CA C 13 56.522 0.000 . . . . . A A 4 CYS CA . 30917 1
20 . 1 . 1 4 4 CYS CB C 13 38.665 0.000 . . . . . A A 4 CYS CB . 30917 1
21 . 1 . 1 4 4 CYS N N 15 114.900 0.000 . . . . . A A 4 CYS N . 30917 1
22 . 1 . 1 5 5 SER H H 1 8.085 0.000 . . . . . A A 5 SER H . 30917 1
23 . 1 . 1 5 5 SER HA H 1 4.358 0.000 . . . . . A A 5 SER HA . 30917 1
24 . 1 . 1 5 5 SER HB2 H 1 3.852 0.000 . . . . . A A 5 SER HB2 . 30917 1
25 . 1 . 1 5 5 SER HB3 H 1 3.852 0.000 . . . . . A A 5 SER HB3 . 30917 1
26 . 1 . 1 5 5 SER CA C 13 59.106 0.000 . . . . . A A 5 SER CA . 30917 1
27 . 1 . 1 5 5 SER CB C 13 63.307 0.000 . . . . . A A 5 SER CB . 30917 1
28 . 1 . 1 5 5 SER N N 15 114.215 0.000 . . . . . A A 5 SER N . 30917 1
29 . 1 . 1 6 6 HIS H H 1 8.141 0.000 . . . . . A A 6 HIS H . 30917 1
30 . 1 . 1 6 6 HIS HA H 1 5.177 0.000 . . . . . A A 6 HIS HA . 30917 1
31 . 1 . 1 6 6 HIS HB2 H 1 3.321 0.003 . . . . . A A 6 HIS HB2 . 30917 1
32 . 1 . 1 6 6 HIS HB3 H 1 3.321 0.003 . . . . . A A 6 HIS HB3 . 30917 1
33 . 1 . 1 6 6 HIS HD2 H 1 7.319 0.001 . . . . . A A 6 HIS HD2 . 30917 1
34 . 1 . 1 6 6 HIS HE1 H 1 8.601 0.000 . . . . . A A 6 HIS HE1 . 30917 1
35 . 1 . 1 6 6 HIS CA C 13 52.792 0.000 . . . . . A A 6 HIS CA . 30917 1
36 . 1 . 1 6 6 HIS CB C 13 29.228 0.000 . . . . . A A 6 HIS CB . 30917 1
37 . 1 . 1 6 6 HIS N N 15 121.161 0.000 . . . . . A A 6 HIS N . 30917 1
38 . 1 . 1 7 7 PRO HA H 1 4.275 0.005 . . . . . A A 7 PRO HA . 30917 1
39 . 1 . 1 7 7 PRO HB2 H 1 2.390 0.000 . . . . . A A 7 PRO HB2 . 30917 1
40 . 1 . 1 7 7 PRO HB3 H 1 1.969 0.000 . . . . . A A 7 PRO HB3 . 30917 1
41 . 1 . 1 7 7 PRO HG2 H 1 2.040 0.000 . . . . . A A 7 PRO HG2 . 30917 1
42 . 1 . 1 7 7 PRO HG3 H 1 2.147 0.000 . . . . . A A 7 PRO HG3 . 30917 1
43 . 1 . 1 7 7 PRO HD2 H 1 3.890 0.000 . . . . . A A 7 PRO HD2 . 30917 1
44 . 1 . 1 7 7 PRO HD3 H 1 3.968 0.005 . . . . . A A 7 PRO HD3 . 30917 1
45 . 1 . 1 7 7 PRO CA C 13 65.711 0.000 . . . . . A A 7 PRO CA . 30917 1
46 . 1 . 1 7 7 PRO CB C 13 32.168 0.000 . . . . . A A 7 PRO CB . 30917 1
47 . 1 . 1 7 7 PRO CG C 13 27.310 0.000 . . . . . A A 7 PRO CG . 30917 1
48 . 1 . 1 7 7 PRO CD C 13 50.996 0.000 . . . . . A A 7 PRO CD . 30917 1
49 . 1 . 1 8 8 ALA H H 1 8.519 0.004 . . . . . A A 8 ALA H . 30917 1
50 . 1 . 1 8 8 ALA HA H 1 4.248 0.000 . . . . . A A 8 ALA HA . 30917 1
51 . 1 . 1 8 8 ALA HB1 H 1 1.390 0.003 . . . . . A A 8 ALA HB1 . 30917 1
52 . 1 . 1 8 8 ALA HB2 H 1 1.390 0.003 . . . . . A A 8 ALA HB2 . 30917 1
53 . 1 . 1 8 8 ALA HB3 H 1 1.390 0.003 . . . . . A A 8 ALA HB3 . 30917 1
54 . 1 . 1 8 8 ALA CA C 13 53.917 0.000 . . . . . A A 8 ALA CA . 30917 1
55 . 1 . 1 8 8 ALA CB C 13 18.445 0.000 . . . . . A A 8 ALA CB . 30917 1
56 . 1 . 1 8 8 ALA N N 15 118.672 0.000 . . . . . A A 8 ALA N . 30917 1
57 . 1 . 1 9 9 CYS H H 1 7.761 0.002 . . . . . A A 9 CYS H . 30917 1
58 . 1 . 1 9 9 CYS HA H 1 4.459 0.004 . . . . . A A 9 CYS HA . 30917 1
59 . 1 . 1 9 9 CYS HB2 H 1 3.187 0.000 . . . . . A A 9 CYS HB2 . 30917 1
60 . 1 . 1 9 9 CYS HB3 H 1 3.871 0.002 . . . . . A A 9 CYS HB3 . 30917 1
61 . 1 . 1 9 9 CYS CB C 13 41.267 0.000 . . . . . A A 9 CYS CB . 30917 1
62 . 1 . 1 9 9 CYS N N 15 117.771 0.000 . . . . . A A 9 CYS N . 30917 1
63 . 1 . 1 10 10 ALA H H 1 8.527 0.000 . . . . . A A 10 ALA H . 30917 1
64 . 1 . 1 10 10 ALA HA H 1 4.139 0.005 . . . . . A A 10 ALA HA . 30917 1
65 . 1 . 1 10 10 ALA HB1 H 1 1.447 0.001 . . . . . A A 10 ALA HB1 . 30917 1
66 . 1 . 1 10 10 ALA HB2 H 1 1.447 0.001 . . . . . A A 10 ALA HB2 . 30917 1
67 . 1 . 1 10 10 ALA HB3 H 1 1.447 0.001 . . . . . A A 10 ALA HB3 . 30917 1
68 . 1 . 1 10 10 ALA CA C 13 54.480 0.000 . . . . . A A 10 ALA CA . 30917 1
69 . 1 . 1 10 10 ALA CB C 13 18.872 0.000 . . . . . A A 10 ALA CB . 30917 1
70 . 1 . 1 10 10 ALA N N 15 125.791 0.000 . . . . . A A 10 ALA N . 30917 1
71 . 1 . 1 11 11 ALA H H 1 7.990 0.000 . . . . . A A 11 ALA H . 30917 1
72 . 1 . 1 11 11 ALA HA H 1 4.157 0.000 . . . . . A A 11 ALA HA . 30917 1
73 . 1 . 1 11 11 ALA HB1 H 1 1.412 0.000 . . . . . A A 11 ALA HB1 . 30917 1
74 . 1 . 1 11 11 ALA HB2 H 1 1.412 0.000 . . . . . A A 11 ALA HB2 . 30917 1
75 . 1 . 1 11 11 ALA HB3 H 1 1.412 0.000 . . . . . A A 11 ALA HB3 . 30917 1
76 . 1 . 1 11 11 ALA CA C 13 53.876 0.000 . . . . . A A 11 ALA CA . 30917 1
77 . 1 . 1 11 11 ALA CB C 13 18.639 0.000 . . . . . A A 11 ALA CB . 30917 1
78 . 1 . 1 11 11 ALA N N 15 119.215 0.000 . . . . . A A 11 ALA N . 30917 1
79 . 1 . 1 12 12 ASN H H 1 7.638 0.000 . . . . . A A 12 ASN H . 30917 1
80 . 1 . 1 12 12 ASN HA H 1 4.825 0.000 . . . . . A A 12 ASN HA . 30917 1
81 . 1 . 1 12 12 ASN HB2 H 1 2.769 0.004 . . . . . A A 12 ASN HB2 . 30917 1
82 . 1 . 1 12 12 ASN HB3 H 1 2.958 0.001 . . . . . A A 12 ASN HB3 . 30917 1
83 . 1 . 1 12 12 ASN HD21 H 1 7.563 0.006 . . . . . A A 12 ASN HD21 . 30917 1
84 . 1 . 1 12 12 ASN HD22 H 1 6.884 0.000 . . . . . A A 12 ASN HD22 . 30917 1
85 . 1 . 1 12 12 ASN CB C 13 39.356 0.000 . . . . . A A 12 ASN CB . 30917 1
86 . 1 . 1 12 12 ASN N N 15 114.827 0.000 . . . . . A A 12 ASN N . 30917 1
87 . 1 . 1 12 12 ASN ND2 N 15 112.774 0.000 . . . . . A A 12 ASN ND2 . 30917 1
88 . 1 . 1 13 13 ASN H H 1 7.907 0.001 . . . . . A A 13 ASN H . 30917 1
89 . 1 . 1 13 13 ASN HA H 1 4.918 0.004 . . . . . A A 13 ASN HA . 30917 1
90 . 1 . 1 13 13 ASN HB2 H 1 2.574 0.002 . . . . . A A 13 ASN HB2 . 30917 1
91 . 1 . 1 13 13 ASN HB3 H 1 2.767 0.000 . . . . . A A 13 ASN HB3 . 30917 1
92 . 1 . 1 13 13 ASN HD21 H 1 7.552 0.000 . . . . . A A 13 ASN HD21 . 30917 1
93 . 1 . 1 13 13 ASN HD22 H 1 7.053 0.000 . . . . . A A 13 ASN HD22 . 30917 1
94 . 1 . 1 13 13 ASN CA C 13 53.146 0.000 . . . . . A A 13 ASN CA . 30917 1
95 . 1 . 1 13 13 ASN CB C 13 39.710 0.000 . . . . . A A 13 ASN CB . 30917 1
96 . 1 . 1 13 13 ASN N N 15 119.486 0.000 . . . . . A A 13 ASN N . 30917 1
97 . 1 . 1 13 13 ASN ND2 N 15 115.368 0.000 . . . . . A A 13 ASN ND2 . 30917 1
98 . 1 . 1 14 14 GLN H H 1 8.448 0.000 . . . . . A A 14 GLN H . 30917 1
99 . 1 . 1 14 14 GLN HA H 1 4.154 0.000 . . . . . A A 14 GLN HA . 30917 1
100 . 1 . 1 14 14 GLN HB2 H 1 1.975 0.000 . . . . . A A 14 GLN HB2 . 30917 1
101 . 1 . 1 14 14 GLN HB3 H 1 2.105 0.000 . . . . . A A 14 GLN HB3 . 30917 1
102 . 1 . 1 14 14 GLN HG2 H 1 2.363 0.001 . . . . . A A 14 GLN HG2 . 30917 1
103 . 1 . 1 14 14 GLN HG3 H 1 2.363 0.001 . . . . . A A 14 GLN HG3 . 30917 1
104 . 1 . 1 14 14 GLN HE21 H 1 7.464 0.000 . . . . . A A 14 GLN HE21 . 30917 1
105 . 1 . 1 14 14 GLN HE22 H 1 6.852 0.000 . . . . . A A 14 GLN HE22 . 30917 1
106 . 1 . 1 14 14 GLN CA C 13 57.480 0.000 . . . . . A A 14 GLN CA . 30917 1
107 . 1 . 1 14 14 GLN CB C 13 28.771 0.000 . . . . . A A 14 GLN CB . 30917 1
108 . 1 . 1 14 14 GLN CG C 13 34.189 0.000 . . . . . A A 14 GLN CG . 30917 1
109 . 1 . 1 14 14 GLN N N 15 119.848 0.000 . . . . . A A 14 GLN N . 30917 1
110 . 1 . 1 14 14 GLN NE2 N 15 112.744 0.000 . . . . . A A 14 GLN NE2 . 30917 1
111 . 1 . 1 15 15 ASP H H 1 8.485 0.000 . . . . . A A 15 ASP H . 30917 1
112 . 1 . 1 15 15 ASP HA H 1 4.608 0.000 . . . . . A A 15 ASP HA . 30917 1
113 . 1 . 1 15 15 ASP HB2 H 1 2.767 0.000 . . . . . A A 15 ASP HB2 . 30917 1
114 . 1 . 1 15 15 ASP HB3 H 1 2.821 0.000 . . . . . A A 15 ASP HB3 . 30917 1
115 . 1 . 1 15 15 ASP CA C 13 54.063 0.000 . . . . . A A 15 ASP CA . 30917 1
116 . 1 . 1 15 15 ASP CB C 13 38.294 0.000 . . . . . A A 15 ASP CB . 30917 1
117 . 1 . 1 15 15 ASP N N 15 117.148 0.000 . . . . . A A 15 ASP N . 30917 1
118 . 1 . 1 16 16 TYS H H 1 7.801 0.000 . . . . . A A 16 TYS H . 30917 1
119 . 1 . 1 16 16 TYS N N 15 118.204 0.000 . . . . . A A 16 TYS N . 30917 1
120 . 1 . 1 16 16 TYS CB C 13 39.731 0.000 . . . . . A A 16 TYS CB . 30917 1
121 . 1 . 1 16 16 TYS HA H 1 4.751 0.003 . . . . . A A 16 TYS HA . 30917 1
122 . 1 . 1 16 16 TYS HB2 H 1 3.091 0.009 . . . . . A A 16 TYS HB2 . 30917 1
123 . 1 . 1 16 16 TYS HB3 H 1 3.091 0.009 . . . . . A A 16 TYS HB3 . 30917 1
124 . 1 . 1 16 16 TYS HD2 H 1 7.224 0.001 . . . . . A A 16 TYS HD2 . 30917 1
125 . 1 . 1 16 16 TYS HE2 H 1 7.201 0.000 . . . . . A A 16 TYS HE2 . 30917 1
126 . 1 . 1 17 17 CYS H H 1 7.902 0.001 . . . . . A A 17 CYS H . 30917 1
127 . 1 . 1 17 17 CYS HA H 1 4.727 0.000 . . . . . A A 17 CYS HA . 30917 1
128 . 1 . 1 17 17 CYS HB2 H 1 2.776 0.010 . . . . . A A 17 CYS HB2 . 30917 1
129 . 1 . 1 17 17 CYS HB3 H 1 3.291 0.005 . . . . . A A 17 CYS HB3 . 30917 1
130 . 1 . 1 17 17 CYS CB C 13 39.936 0.000 . . . . . A A 17 CYS CB . 30917 1
stop_
save_