Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5254
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 COSY 1 $Sample_1 . 5254 1
2 NOESY 1 $Sample_1 . 5254 1
3 TOCSY 1 $Sample_1 . 5254 1
4 BASHDTOCSY 1 $Sample_1 . 5254 1
5 C13-HSQC 1 $Sample_1 . 5254 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.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 CYS H H 1 8.247 0.005 . 1 . . . . . . . . . 5254 1
2 . 1 1 1 1 CYS CA C 13 50.84 0.02 . 1 . . . . . . . . . 5254 1
3 . 1 1 1 1 CYS HA H 1 4.032 0.005 . 1 . . . . . . . . . 5254 1
4 . 1 1 1 1 CYS CB C 13 38.57 0.02 . 1 . . . . . . . . . 5254 1
5 . 1 1 1 1 CYS HB2 H 1 2.992 0.005 . 2 . . . . . . . . . 5254 1
6 . 1 1 1 1 CYS HB3 H 1 3.203 0.005 . 1 . . . . . . . . . 5254 1
7 . 1 1 2 2 PHE H H 1 8.762 0.005 . 1 . . . . . . . . . 5254 1
8 . 1 1 2 2 PHE CA C 13 53.89 0.02 . 1 . . . . . . . . . 5254 1
9 . 1 1 2 2 PHE HA H 1 4.642 0.005 . 1 . . . . . . . . . 5254 1
10 . 1 1 2 2 PHE CB C 13 37.15 0.02 . 1 . . . . . . . . . 5254 1
11 . 1 1 2 2 PHE HB2 H 1 2.781 0.005 . 2 . . . . . . . . . 5254 1
12 . 1 1 2 2 PHE HB3 H 1 3.015 0.005 . 1 . . . . . . . . . 5254 1
13 . 1 1 2 2 PHE HD1 H 1 7.263 0.005 . 3 . . . . . . . . . 5254 1
14 . 1 1 2 2 PHE CD1 C 13 128.9 0.02 . 2 . . . . . . . . . 5254 1
15 . 1 1 2 2 PHE CE1 C 13 128.05 0.02 . 2 . . . . . . . . . 5254 1
16 . 1 1 3 3 ARG H H 1 8.121 0.005 . 1 . . . . . . . . . 5254 1
17 . 1 1 3 3 ARG CA C 13 51.9 0.02 . 1 . . . . . . . . . 5254 1
18 . 1 1 3 3 ARG HA H 1 4.236 0.005 . 1 . . . . . . . . . 5254 1
19 . 1 1 3 3 ARG CB C 13 28.77 0.02 . 1 . . . . . . . . . 5254 1
20 . 1 1 3 3 ARG HB2 H 1 1.656 0.005 . 2 . . . . . . . . . 5254 1
21 . 1 1 3 3 ARG HB3 H 1 1.469 0.005 . 1 . . . . . . . . . 5254 1
22 . 1 1 3 3 ARG HG2 H 1 1.492 0.005 . 2 . . . . . . . . . 5254 1
23 . 1 1 3 3 ARG HD2 H 1 3.069 0.005 . 2 . . . . . . . . . 5254 1
24 . 1 1 3 3 ARG HH11 H 1 7.575 0.005 . 2 . . . . . . . . . 5254 1
25 . 1 1 3 3 ARG CG C 13 24.68 0.02 . 1 . . . . . . . . . 5254 1
26 . 1 1 3 3 ARG CD C 13 40.12 0.02 . 1 . . . . . . . . . 5254 1
27 . 1 1 4 4 ALA H H 1 7.984 0.005 . 1 . . . . . . . . . 5254 1
28 . 1 1 4 4 ALA CA C 13 47.7 0.02 . 1 . . . . . . . . . 5254 1
29 . 1 1 4 4 ALA HA H 1 4.304 0.005 . 1 . . . . . . . . . 5254 1
30 . 1 1 4 4 ALA CB C 13 18.24 0.02 . 1 . . . . . . . . . 5254 1
31 . 1 1 4 4 ALA HB1 H 1 1.2 0.005 . 1 . . . . . . . . . 5254 1
32 . 1 1 4 4 ALA HB2 H 1 1.2 0.005 . 1 . . . . . . . . . 5254 1
33 . 1 1 4 4 ALA HB3 H 1 1.2 0.005 . 1 . . . . . . . . . 5254 1
34 . 1 1 5 5 ARG H H 1 8.434 0.005 . 1 . . . . . . . . . 5254 1
35 . 1 1 5 5 ARG CA C 13 51.9 0.02 . 1 . . . . . . . . . 5254 1
36 . 1 1 5 5 ARG HA H 1 4.258 0.005 . 1 . . . . . . . . . 5254 1
37 . 1 1 5 5 ARG CB C 13 28.79 0.02 . 1 . . . . . . . . . 5254 1
38 . 1 1 5 5 ARG HB2 H 1 1.497 0.005 . 2 . . . . . . . . . 5254 1
39 . 1 1 5 5 ARG HB3 H 1 1.679 0.005 . 1 . . . . . . . . . 5254 1
40 . 1 1 5 5 ARG HG2 H 1 1.492 0.005 . 2 . . . . . . . . . 5254 1
41 . 1 1 5 5 ARG HD2 H 1 3.086 0.005 . 2 . . . . . . . . . 5254 1
42 . 1 1 5 5 ARG HH11 H 1 7.59 0.005 . 2 . . . . . . . . . 5254 1
43 . 1 1 5 5 ARG CG C 13 24.68 0.02 . 1 . . . . . . . . . 5254 1
44 . 1 1 5 5 ARG CD C 13 40.12 0.02 . 1 . . . . . . . . . 5254 1
45 . 1 1 6 6 GLY H H 1 7.934 0.005 . 1 . . . . . . . . . 5254 1
46 . 1 1 6 6 GLY CA C 13 41.2 0.02 . 1 . . . . . . . . . 5254 1
47 . 1 1 6 6 GLY HA2 H 1 3.929 0.005 . 2 . . . . . . . . . 5254 1
48 . 1 1 6 6 GLY HA3 H 1 3.578 0.005 . 1 . . . . . . . . . 5254 1
49 . 1 1 7 7 TYR H H 1 8.168 0.005 . 1 . . . . . . . . . 5254 1
50 . 1 1 7 7 TYR CA C 13 54.1 0.02 . 1 . . . . . . . . . 5254 1
51 . 1 1 7 7 TYR HA H 1 4.427 0.005 . 1 . . . . . . . . . 5254 1
52 . 1 1 7 7 TYR CB C 13 36.69 0.02 . 1 . . . . . . . . . 5254 1
53 . 1 1 7 7 TYR HB2 H 1 2.617 0.005 . 2 . . . . . . . . . 5254 1
54 . 1 1 7 7 TYR HB3 H 1 2.851 0.005 . 1 . . . . . . . . . 5254 1
55 . 1 1 7 7 TYR HD1 H 1 7.001 0.005 . 3 . . . . . . . . . 5254 1
56 . 1 1 7 7 TYR HE1 H 1 6.626 0.005 . 3 . . . . . . . . . 5254 1
57 . 1 1 7 7 TYR CD1 C 13 129.98 0.02 . 2 . . . . . . . . . 5254 1
58 . 1 1 7 7 TYR CE1 C 13 114.72 0.02 . 2 . . . . . . . . . 5254 1
59 . 1 1 8 8 GLY H H 1 8.329 0.005 . 1 . . . . . . . . . 5254 1
60 . 1 1 8 8 GLY CA C 13 41.67 0.02 . 1 . . . . . . . . . 5254 1
61 . 1 1 8 8 GLY HA2 H 1 3.475 0.005 . 2 . . . . . . . . . 5254 1
62 . 1 1 8 8 GLY HA3 H 1 3.815 0.005 . 1 . . . . . . . . . 5254 1
63 . 1 1 9 9 PHE H H 1 8.075 0.005 . 1 . . . . . . . . . 5254 1
64 . 1 1 9 9 PHE CA C 13 53.8 0.02 . 1 . . . . . . . . . 5254 1
65 . 1 1 9 9 PHE HA H 1 4.521 0.005 . 1 . . . . . . . . . 5254 1
66 . 1 1 9 9 PHE CB C 13 37.05 0.02 . 1 . . . . . . . . . 5254 1
67 . 1 1 9 9 PHE HB2 H 1 2.782 0.005 . 2 . . . . . . . . . 5254 1
68 . 1 1 9 9 PHE HB3 H 1 3.064 0.005 . 1 . . . . . . . . . 5254 1
69 . 1 1 9 9 PHE HD1 H 1 7.216 0.005 . 3 . . . . . . . . . 5254 1
70 . 1 1 9 9 PHE HE1 H 1 7.116 0.005 . 3 . . . . . . . . . 5254 1
71 . 1 1 9 9 PHE HZ H 1 7.005 0.005 . 1 . . . . . . . . . 5254 1
72 . 1 1 9 9 PHE CD1 C 13 128.95 0.02 . 2 . . . . . . . . . 5254 1
73 . 1 1 9 9 PHE CE1 C 13 127.96 0.02 . 2 . . . . . . . . . 5254 1
74 . 1 1 10 10 ARG H H 1 8.184 0.005 . 1 . . . . . . . . . 5254 1
75 . 1 1 10 10 ARG CA C 13 51.69 0.02 . 1 . . . . . . . . . 5254 1
76 . 1 1 10 10 ARG HA H 1 4.375 0.005 . 1 . . . . . . . . . 5254 1
77 . 1 1 10 10 ARG CB C 13 28.89 0.02 . 1 . . . . . . . . . 5254 1
78 . 1 1 10 10 ARG HB2 H 1 1.586 0.005 . 2 . . . . . . . . . 5254 1
79 . 1 1 10 10 ARG HB3 H 1 1.727 0.005 . 1 . . . . . . . . . 5254 1
80 . 1 1 10 10 ARG HG2 H 1 1.492 0.005 . 2 . . . . . . . . . 5254 1
81 . 1 1 10 10 ARG HD2 H 1 3.109 0.005 . 2 . . . . . . . . . 5254 1
82 . 1 1 10 10 ARG HH11 H 1 7.575 0.005 . 2 . . . . . . . . . 5254 1
83 . 1 1 10 10 ARG CG C 13 24.68 0.02 . 1 . . . . . . . . . 5254 1
84 . 1 1 10 10 ARG CD C 13 40.12 0.02 . 1 . . . . . . . . . 5254 1
85 . 1 1 11 11 GLY H H 1 8.075 0.005 . 1 . . . . . . . . . 5254 1
86 . 1 1 11 11 GLY CA C 13 41.39 0.02 . 1 . . . . . . . . . 5254 1
87 . 1 1 11 11 GLY HA2 H 1 3.859 0.005 . 2 . . . . . . . . . 5254 1
88 . 1 1 11 11 GLY HA3 H 1 3.484 0.005 . 1 . . . . . . . . . 5254 1
89 . 1 1 12 12 PRO CA C 13 58.57 0.02 . 1 . . . . . . . . . 5254 1
90 . 1 1 12 12 PRO HA H 1 4.497 0.005 . 1 . . . . . . . . . 5254 1
91 . 1 1 12 12 PRO CB C 13 29.01 0.02 . 1 . . . . . . . . . 5254 1
92 . 1 1 12 12 PRO HB2 H 1 2.001 0.005 . 2 . . . . . . . . . 5254 1
93 . 1 1 12 12 PRO HB3 H 1 2.189 0.005 . 1 . . . . . . . . . 5254 1
94 . 1 1 12 12 PRO HG2 H 1 1.767 0.005 . 2 . . . . . . . . . 5254 1
95 . 1 1 12 12 PRO HD2 H 1 3.457 0.005 . 2 . . . . . . . . . 5254 1
96 . 1 1 12 12 PRO HD3 H 1 3.554 0.005 . 2 . . . . . . . . . 5254 1
97 . 1 1 12 12 PRO CG C 13 21.68 0.02 . 1 . . . . . . . . . 5254 1
98 . 1 1 12 12 PRO CD C 13 45.67 0.02 . 1 . . . . . . . . . 5254 1
99 . 1 1 13 13 GLY H H 1 8.231 0.005 . 1 . . . . . . . . . 5254 1
100 . 1 1 13 13 GLY CA C 13 41.68 0.02 . 1 . . . . . . . . . 5254 1
101 . 1 1 13 13 GLY HA2 H 1 3.789 0.005 . 2 . . . . . . . . . 5254 1
102 . 1 1 13 13 GLY HA3 H 1 3.648 0.005 . 1 . . . . . . . . . 5254 1
103 . 1 1 14 14 LEU H H 1 7.903 0.005 . 1 . . . . . . . . . 5254 1
104 . 1 1 14 14 LEU CA C 13 50.53 0.02 . 1 . . . . . . . . . 5254 1
105 . 1 1 14 14 LEU HA H 1 4.422 0.005 . 1 . . . . . . . . . 5254 1
106 . 1 1 14 14 LEU CB C 13 40.79 0.02 . 1 . . . . . . . . . 5254 1
107 . 1 1 14 14 LEU HB2 H 1 1.481 0.005 . 2 . . . . . . . . . 5254 1
108 . 1 1 14 14 LEU HB3 H 1 1.582 0.005 . 1 . . . . . . . . . 5254 1
109 . 1 1 14 14 LEU HG H 1 1.611 0.005 . 1 . . . . . . . . . 5254 1
110 . 1 1 14 14 LEU HD11 H 1 0.871 0.005 . 2 . . . . . . . . . 5254 1
111 . 1 1 14 14 LEU HD12 H 1 0.871 0.005 . 2 . . . . . . . . . 5254 1
112 . 1 1 14 14 LEU HD13 H 1 0.871 0.005 . 2 . . . . . . . . . 5254 1
113 . 1 1 14 14 LEU HD21 H 1 0.825 0.005 . 2 . . . . . . . . . 5254 1
114 . 1 1 14 14 LEU HD22 H 1 0.825 0.005 . 2 . . . . . . . . . 5254 1
115 . 1 1 14 14 LEU HD23 H 1 0.825 0.005 . 2 . . . . . . . . . 5254 1
116 . 1 1 14 14 LEU CG C 13 23.76 0.02 . 1 . . . . . . . . . 5254 1
117 . 1 1 14 14 LEU CD1 C 13 21.3 0.02 . 2 . . . . . . . . . 5254 1
118 . 1 1 14 14 LEU CD2 C 13 22.8 0.02 . 2 . . . . . . . . . 5254 1
119 . 1 1 15 15 CYS H H 1 8.512 0.005 . 1 . . . . . . . . . 5254 1
120 . 1 1 15 15 CYS CA C 13 51.04 0.02 . 1 . . . . . . . . . 5254 1
121 . 1 1 15 15 CYS HA H 1 4.492 0.005 . 1 . . . . . . . . . 5254 1
122 . 1 1 15 15 CYS CB C 13 38.75 0.02 . 1 . . . . . . . . . 5254 1
123 . 1 1 15 15 CYS HB2 H 1 2.969 0.005 . 2 . . . . . . . . . 5254 1
124 . 1 1 15 15 CYS HB3 H 1 3.179 0.005 . 1 . . . . . . . . . 5254 1
stop_
save_