Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 18510
_Assigned_chem_shift_list.ID 1
_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 $chemical_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 DQF-COSY' . . . 18510 1
2 '2D 1H-1H NOESY' . . . 18510 1
3 '2D 1H-1H TOCSY' . . . 18510 1
4 '2D 1H-13C HSQC' . . . 18510 1
5 '2D 1H-13C HSQC-TOCSY' . . . 18510 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 4.031 0.020 . 1 . . . 1 1 CYS HA . 18510 1
2 . 1 1 1 1 CYS HB2 H 1 2.627 0.020 . 1 . . . 1 1 CYS HB2 . 18510 1
3 . 1 1 1 1 CYS HB3 H 1 2.627 0.020 . 1 . . . 1 1 CYS HB3 . 18510 1
4 . 1 1 1 1 CYS CA C 13 50.68 0.300 . 1 . . . 1 1 CYS CA . 18510 1
5 . 1 1 1 1 CYS CB C 13 40.00 0.300 . 1 . . . 1 1 CYS CB . 18510 1
6 . 1 1 2 2 ASN H H 1 8.461 0.020 . 1 . . . 1 2 ASN H . 18510 1
7 . 1 1 2 2 ASN HA H 1 4.205 0.020 . 1 . . . 1 2 ASN HA . 18510 1
8 . 1 1 2 2 ASN HB2 H 1 2.287 0.020 . 2 . . . 1 2 ASN HB2 . 18510 1
9 . 1 1 2 2 ASN HB3 H 1 2.175 0.020 . 2 . . . 1 2 ASN HB3 . 18510 1
10 . 1 1 2 2 ASN HD21 H 1 6.495 0.020 . 1 . . . 1 2 ASN HD21 . 18510 1
11 . 1 1 2 2 ASN HD22 H 1 6.495 0.020 . 1 . . . 1 2 ASN HD22 . 18510 1
12 . 1 1 2 2 ASN CA C 13 49.78 0.300 . 1 . . . 1 2 ASN CA . 18510 1
13 . 1 1 2 2 ASN CB C 13 35.90 0.300 . 1 . . . 1 2 ASN CB . 18510 1
14 . 1 1 3 3 CYS H H 1 8.353 0.020 . 1 . . . 1 3 CYS H . 18510 1
15 . 1 1 3 3 CYS HA H 1 4.184 0.020 . 1 . . . 1 3 CYS HA . 18510 1
16 . 1 1 3 3 CYS HB2 H 1 2.236 0.020 . 2 . . . 1 3 CYS HB2 . 18510 1
17 . 1 1 3 3 CYS HB3 H 1 2.627 0.020 . 2 . . . 1 3 CYS HB3 . 18510 1
18 . 1 1 3 3 CYS CA C 13 51.53 0.300 . 1 . . . 1 3 CYS CA . 18510 1
19 . 1 1 3 3 CYS CB C 13 37.60 0.300 . 1 . . . 1 3 CYS CB . 18510 1
20 . 1 1 4 4 SER H H 1 7.829 0.020 . 1 . . . 1 4 SER H . 18510 1
21 . 1 1 4 4 SER HA H 1 3.876 0.020 . 1 . . . 1 4 SER HA . 18510 1
22 . 1 1 4 4 SER HB2 H 1 3.250 0.020 . 2 . . . 1 4 SER HB2 . 18510 1
23 . 1 1 4 4 SER HB3 H 1 3.341 0.020 . 2 . . . 1 4 SER HB3 . 18510 1
24 . 1 1 4 4 SER CA C 13 55.10 0.300 . 1 . . . 1 4 SER CA . 18510 1
25 . 1 1 4 4 SER CB C 13 60.06 0.300 . 1 . . . 1 4 SER CB . 18510 1
26 . 1 1 5 5 ARG H H 1 8.119 0.020 . 1 . . . 1 5 ARG H . 18510 1
27 . 1 1 5 5 ARG HA H 1 3.479 0.020 . 1 . . . 1 5 ARG HA . 18510 1
28 . 1 1 5 5 ARG HB2 H 1 0.931 0.020 . 2 . . . 1 5 ARG HB2 . 18510 1
29 . 1 1 5 5 ARG HB3 H 1 1.002 0.020 . 2 . . . 1 5 ARG HB3 . 18510 1
30 . 1 1 5 5 ARG HG2 H 1 0.528 0.020 . 2 . . . 1 5 ARG HG2 . 18510 1
31 . 1 1 5 5 ARG HG3 H 1 0.610 0.020 . 2 . . . 1 5 ARG HG3 . 18510 1
32 . 1 1 5 5 ARG HD2 H 1 2.349 0.020 . 1 . . . 1 5 ARG HD2 . 18510 1
33 . 1 1 5 5 ARG HD3 H 1 2.349 0.020 . 1 . . . 1 5 ARG HD3 . 18510 1
34 . 1 1 5 5 ARG CA C 13 54.40 0.300 . 1 . . . 1 5 ARG CA . 18510 1
35 . 1 1 5 5 ARG CB C 13 27.09 0.300 . 1 . . . 1 5 ARG CB . 18510 1
36 . 1 1 5 5 ARG CG C 13 24.07 0.300 . 1 . . . 1 5 ARG CG . 18510 1
37 . 1 1 5 5 ARG CD C 13 39.97 0.300 . 1 . . . 1 5 ARG CD . 18510 1
38 . 1 1 6 6 TRP H H 1 7.443 0.020 . 1 . . . 1 6 TRP H . 18510 1
39 . 1 1 6 6 TRP HA H 1 4.114 0.020 . 1 . . . 1 6 TRP HA . 18510 1
40 . 1 1 6 6 TRP HB2 H 1 2.637 0.020 . 2 . . . 1 6 TRP HB2 . 18510 1
41 . 1 1 6 6 TRP HB3 H 1 2.833 0.020 . 2 . . . 1 6 TRP HB3 . 18510 1
42 . 1 1 6 6 TRP HE3 H 1 7.018 0.020 . 1 . . . 1 6 TRP HE3 . 18510 1
43 . 1 1 6 6 TRP HZ2 H 1 6.673 0.020 . 1 . . . 1 6 TRP HZ2 . 18510 1
44 . 1 1 6 6 TRP HZ3 H 1 6.573 0.020 . 1 . . . 1 6 TRP HZ3 . 18510 1
45 . 1 1 6 6 TRP CA C 13 54.22 0.300 . 1 . . . 1 6 TRP CA . 18510 1
46 . 1 1 6 6 TRP CB C 13 40.00 0.300 . 1 . . . 1 6 TRP CB . 18510 1
47 . 1 1 6 6 TRP CE3 C 13 117.7 0.300 . 1 . . . 1 6 TRP CE3 . 18510 1
48 . 1 1 6 6 TRP CZ2 C 13 114.3 0.300 . 1 . . . 1 6 TRP CZ2 . 18510 1
49 . 1 1 6 6 TRP CZ3 C 13 121.7 0.300 . 1 . . . 1 6 TRP CZ3 . 18510 1
50 . 1 1 7 7 ALA H H 1 7.176 0.020 . 1 . . . 1 7 ALA H . 18510 1
51 . 1 1 7 7 ALA HA H 1 3.671 0.020 . 1 . . . 1 7 ALA HA . 18510 1
52 . 1 1 7 7 ALA HB1 H 1 0.795 0.020 . 1 . . . 1 7 ALA HB1 . 18510 1
53 . 1 1 7 7 ALA HB2 H 1 0.795 0.020 . 1 . . . 1 7 ALA HB2 . 18510 1
54 . 1 1 7 7 ALA HB3 H 1 0.795 0.020 . 1 . . . 1 7 ALA HB3 . 18510 1
55 . 1 1 7 7 ALA CA C 13 49.50 0.300 . 1 . . . 1 7 ALA CA . 18510 1
56 . 1 1 7 7 ALA CB C 13 16.30 0.300 . 1 . . . 1 7 ALA CB . 18510 1
57 . 1 1 8 8 ARG H H 1 7.849 0.020 . 1 . . . 1 8 ARG H . 18510 1
58 . 1 1 8 8 ARG HA H 1 3.587 0.020 . 1 . . . 1 8 ARG HA . 18510 1
59 . 1 1 8 8 ARG HB2 H 1 1.251 0.020 . 1 . . . 1 8 ARG HB2 . 18510 1
60 . 1 1 8 8 ARG HB3 H 1 1.251 0.020 . 1 . . . 1 8 ARG HB3 . 18510 1
61 . 1 1 8 8 ARG HG2 H 1 1.104 0.020 . 1 . . . 1 8 ARG HG2 . 18510 1
62 . 1 1 8 8 ARG HG3 H 1 1.104 0.020 . 1 . . . 1 8 ARG HG3 . 18510 1
63 . 1 1 8 8 ARG HD2 H 1 2.631 0.020 . 1 . . . 1 8 ARG HD2 . 18510 1
64 . 1 1 8 8 ARG HD3 H 1 2.631 0.020 . 1 . . . 1 8 ARG HD3 . 18510 1
65 . 1 1 8 8 ARG CA C 13 54.30 0.300 . 1 . . . 1 8 ARG CA . 18510 1
66 . 1 1 8 8 ARG CB C 13 27.10 0.300 . 1 . . . 1 8 ARG CB . 18510 1
67 . 1 1 8 8 ARG CG C 13 24.10 0.300 . 1 . . . 1 8 ARG CG . 18510 1
68 . 1 1 8 8 ARG CD C 13 40.00 0.300 . 1 . . . 1 8 ARG CD . 18510 1
69 . 1 1 9 9 ASP H H 1 7.641 0.020 . 1 . . . 1 9 ASP H . 18510 1
70 . 1 1 9 9 ASP HA H 1 4.003 0.020 . 1 . . . 1 9 ASP HA . 18510 1
71 . 1 1 9 9 ASP HB2 H 1 2.074 0.020 . 1 . . . 1 9 ASP HB2 . 18510 1
72 . 1 1 9 9 ASP HB3 H 1 2.074 0.020 . 1 . . . 1 9 ASP HB3 . 18510 1
73 . 1 1 9 9 ASP CA C 13 51.01 0.300 . 1 . . . 1 9 ASP CA . 18510 1
74 . 1 1 9 9 ASP CB C 13 37.80 0.300 . 1 . . . 1 9 ASP CB . 18510 1
75 . 1 1 10 10 HIS H H 1 7.712 0.020 . 1 . . . 1 10 HIS H . 18510 1
76 . 1 1 10 10 HIS HA H 1 3.989 0.020 . 1 . . . 1 10 HIS HA . 18510 1
77 . 1 1 10 10 HIS HB2 H 1 2.434 0.020 . 2 . . . 1 10 HIS HB2 . 18510 1
78 . 1 1 10 10 HIS HB3 H 1 2.677 0.020 . 2 . . . 1 10 HIS HB3 . 18510 1
79 . 1 1 10 10 HIS HD1 H 1 9.673 0.020 . 1 . . . 1 10 HIS HD1 . 18510 1
80 . 1 1 10 10 HIS HD2 H 1 6.878 0.020 . 1 . . . 1 10 HIS HD2 . 18510 1
81 . 1 1 10 10 HIS HE1 H 1 6.652 0.020 . 1 . . . 1 10 HIS HE1 . 18510 1
82 . 1 1 10 10 HIS CA C 13 50.89 0.300 . 1 . . . 1 10 HIS CA . 18510 1
83 . 1 1 10 10 HIS CB C 13 40.10 0.300 . 1 . . . 1 10 HIS CB . 18510 1
84 . 1 1 10 10 HIS CD2 C 13 111.3 0.300 . 1 . . . 1 10 HIS CD2 . 18510 1
85 . 1 1 10 10 HIS CE1 C 13 125.6 0.300 . 1 . . . 1 10 HIS CE1 . 18510 1
86 . 1 1 11 11 SER H H 1 7.768 0.020 . 1 . . . 1 11 SER H . 18510 1
87 . 1 1 11 11 SER HA H 1 3.867 0.020 . 1 . . . 1 11 SER HA . 18510 1
88 . 1 1 11 11 SER HB2 H 1 3.394 0.020 . 2 . . . 1 11 SER HB2 . 18510 1
89 . 1 1 11 11 SER HB3 H 1 3.434 0.020 . 2 . . . 1 11 SER HB3 . 18510 1
90 . 1 1 11 11 SER CA C 13 55.84 0.300 . 1 . . . 1 11 SER CA . 18510 1
91 . 1 1 11 11 SER CB C 13 60.09 0.300 . 1 . . . 1 11 SER CB . 18510 1
92 . 1 1 12 12 ARG H H 1 8.180 0.020 . 1 . . . 1 12 ARG H . 18510 1
93 . 1 1 12 12 ARG HA H 1 3.669 0.020 . 1 . . . 1 12 ARG HA . 18510 1
94 . 1 1 12 12 ARG HB2 H 1 1.292 0.020 . 2 . . . 1 12 ARG HB2 . 18510 1
95 . 1 1 12 12 ARG HB3 H 1 1.338 0.020 . 2 . . . 1 12 ARG HB3 . 18510 1
96 . 1 1 12 12 ARG HG2 H 1 1.111 0.020 . 1 . . . 1 12 ARG HG2 . 18510 1
97 . 1 1 12 12 ARG HG3 H 1 1.111 0.020 . 1 . . . 1 12 ARG HG3 . 18510 1
98 . 1 1 12 12 ARG HD2 H 1 2.644 0.020 . 1 . . . 1 12 ARG HD2 . 18510 1
99 . 1 1 12 12 ARG HD3 H 1 2.644 0.020 . 1 . . . 1 12 ARG HD3 . 18510 1
100 . 1 1 12 12 ARG CA C 13 54.58 0.300 . 1 . . . 1 12 ARG CA . 18510 1
101 . 1 1 12 12 ARG CB C 13 26.90 0.300 . 1 . . . 1 12 ARG CB . 18510 1
102 . 1 1 12 12 ARG CG C 13 24.20 0.300 . 1 . . . 1 12 ARG CG . 18510 1
103 . 1 1 12 12 ARG CD C 13 40.00 0.300 . 1 . . . 1 12 ARG CD . 18510 1
104 . 1 1 13 13 CYS H H 1 7.897 0.020 . 1 . . . 1 13 CYS H . 18510 1
105 . 1 1 13 13 CYS HA H 1 4.014 0.020 . 1 . . . 1 13 CYS HA . 18510 1
106 . 1 1 13 13 CYS HB2 H 1 2.575 0.020 . 2 . . . 1 13 CYS HB2 . 18510 1
107 . 1 1 13 13 CYS HB3 H 1 2.677 0.020 . 2 . . . 1 13 CYS HB3 . 18510 1
108 . 1 1 13 13 CYS CA C 13 53.66 0.300 . 1 . . . 1 13 CYS CA . 18510 1
109 . 1 1 13 13 CYS CB C 13 40.10 0.300 . 1 . . . 1 13 CYS CB . 18510 1
110 . 1 1 14 14 CYS H H 1 7.558 0.020 . 1 . . . 1 14 CYS H . 18510 1
111 . 1 1 14 14 CYS HA H 1 3.940 0.020 . 1 . . . 1 14 CYS HA . 18510 1
112 . 1 1 14 14 CYS HB2 H 1 2.364 0.020 . 2 . . . 1 14 CYS HB2 . 18510 1
113 . 1 1 14 14 CYS HB3 H 1 2.653 0.020 . 2 . . . 1 14 CYS HB3 . 18510 1
114 . 1 1 14 14 CYS CA C 13 52.66 0.300 . 1 . . . 1 14 CYS CA . 18510 1
115 . 1 1 14 14 CYS CB C 13 40.10 0.300 . 1 . . . 1 14 CYS CB . 18510 1
stop_
save_