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 31256
_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' . . . 31256 1
2 '2D 1H-1H NOESY' . . . 31256 1
3 '2D 1H-13C HSQC' . . . 31256 1
4 '2D 1H-15N HSQC' . . . 31256 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 ARG H H 1 8.466 0.003 . 1 . . . . A 1 ARG H . 31256 1
2 . 1 . 1 1 1 ARG HA H 1 4.077 0.003 . 1 . . . . A 1 ARG HA . 31256 1
3 . 1 . 1 1 1 ARG HB2 H 1 1.986 0.003 . 2 . . . . A 1 ARG HB2 . 31256 1
4 . 1 . 1 1 1 ARG HB3 H 1 1.986 0.003 . 2 . . . . A 1 ARG HB3 . 31256 1
5 . 1 . 1 1 1 ARG HG2 H 1 1.707 0.005 . 2 . . . . A 1 ARG HG2 . 31256 1
6 . 1 . 1 1 1 ARG HG3 H 1 1.707 0.005 . 2 . . . . A 1 ARG HG3 . 31256 1
7 . 1 . 1 1 1 ARG HD2 H 1 3.262 0.003 . 2 . . . . A 1 ARG HD2 . 31256 1
8 . 1 . 1 1 1 ARG HD3 H 1 3.262 0.003 . 2 . . . . A 1 ARG HD3 . 31256 1
9 . 1 . 1 1 1 ARG HE H 1 7.224 0.003 . 1 . . . . A 1 ARG HE . 31256 1
10 . 1 . 1 1 1 ARG CA C 13 53.122 0.000 . 1 . . . . A 1 ARG CA . 31256 1
11 . 1 . 1 1 1 ARG CB C 13 28.634 0.041 . 1 . . . . A 1 ARG CB . 31256 1
12 . 1 . 1 1 1 ARG CG C 13 23.916 0.170 . 1 . . . . A 1 ARG CG . 31256 1
13 . 1 . 1 1 1 ARG CD C 13 40.682 0.000 . 1 . . . . A 1 ARG CD . 31256 1
14 . 1 . 1 1 1 ARG NE N 15 84.220 0.000 . 1 . . . . A 1 ARG NE . 31256 1
15 . 1 . 1 2 2 CYS H H 1 8.995 0.003 . 1 . . . . A 2 CYS H . 31256 1
16 . 1 . 1 2 2 CYS HA H 1 4.975 0.003 . 1 . . . . A 2 CYS HA . 31256 1
17 . 1 . 1 2 2 CYS HB2 H 1 3.021 0.003 . . . . . . A 2 CYS HB2 . 31256 1
18 . 1 . 1 2 2 CYS HB3 H 1 3.266 0.003 . . . . . . A 2 CYS HB3 . 31256 1
19 . 1 . 1 2 2 CYS CB C 13 42.094 0.000 . 1 . . . . A 2 CYS CB . 31256 1
20 . 1 . 1 2 2 CYS N N 15 122.164 0.000 . 1 . . . . A 2 CYS N . 31256 1
21 . 1 . 1 3 3 CYS H H 1 9.171 0.003 . 1 . . . . A 3 CYS H . 31256 1
22 . 1 . 1 3 3 CYS HA H 1 4.975 0.003 . 1 . . . . A 3 CYS HA . 31256 1
23 . 1 . 1 3 3 CYS HB2 H 1 2.966 0.003 . . . . . . A 3 CYS HB2 . 31256 1
24 . 1 . 1 3 3 CYS HB3 H 1 3.081 0.003 . . . . . . A 3 CYS HB3 . 31256 1
25 . 1 . 1 3 3 CYS CB C 13 41.123 2.506 . 1 . . . . A 3 CYS CB . 31256 1
26 . 1 . 1 3 3 CYS N N 15 123.863 0.000 . 1 . . . . A 3 CYS N . 31256 1
27 . 1 . 1 4 4 GLY H H 1 8.444 0.003 . 1 . . . . A 4 GLY H . 31256 1
28 . 1 . 1 4 4 GLY HA2 H 1 4.506 0.003 . . . . . . A 4 GLY HA2 . 31256 1
29 . 1 . 1 4 4 GLY HA3 H 1 3.659 0.003 . . . . . . A 4 GLY HA3 . 31256 1
30 . 1 . 1 4 4 GLY CA C 13 41.947 0.551 . 1 . . . . A 4 GLY CA . 31256 1
31 . 1 . 1 4 4 GLY N N 15 109.919 0.000 . 1 . . . . A 4 GLY N . 31256 1
32 . 1 . 1 5 5 TYR H H 1 8.499 0.003 . 1 . . . . A 5 TYR H . 31256 1
33 . 1 . 1 5 5 TYR HA H 1 4.668 0.003 . 1 . . . . A 5 TYR HA . 31256 1
34 . 1 . 1 5 5 TYR HB2 H 1 3.038 0.003 . 2 . . . . A 5 TYR HB2 . 31256 1
35 . 1 . 1 5 5 TYR HB3 H 1 3.038 0.003 . 2 . . . . A 5 TYR HB3 . 31256 1
36 . 1 . 1 5 5 TYR HD1 H 1 7.208 0.003 . 3 . . . . A 5 TYR HD1 . 31256 1
37 . 1 . 1 5 5 TYR HD2 H 1 7.208 0.003 . 3 . . . . A 5 TYR HD2 . 31256 1
38 . 1 . 1 5 5 TYR HE1 H 1 6.890 0.003 . 3 . . . . A 5 TYR HE1 . 31256 1
39 . 1 . 1 5 5 TYR HE2 H 1 6.890 0.003 . 3 . . . . A 5 TYR HE2 . 31256 1
40 . 1 . 1 5 5 TYR CA C 13 55.736 0.000 . 1 . . . . A 5 TYR CA . 31256 1
41 . 1 . 1 5 5 TYR CB C 13 35.741 0.299 . 1 . . . . A 5 TYR CB . 31256 1
42 . 1 . 1 5 5 TYR N N 15 121.142 0.000 . 1 . . . . A 5 TYR N . 31256 1
43 . 1 . 1 6 6 LYS H H 1 8.624 0.003 . 1 . . . . A 6 LYS H . 31256 1
44 . 1 . 1 6 6 LYS HA H 1 3.869 0.003 . 1 . . . . A 6 LYS HA . 31256 1
45 . 1 . 1 6 6 LYS HB2 H 1 1.749 0.003 . . . . . . A 6 LYS HB2 . 31256 1
46 . 1 . 1 6 6 LYS HB3 H 1 1.844 0.003 . . . . . . A 6 LYS HB3 . 31256 1
47 . 1 . 1 6 6 LYS HG2 H 1 1.067 0.008 . . . . . . A 6 LYS HG2 . 31256 1
48 . 1 . 1 6 6 LYS HG3 H 1 1.008 0.003 . . . . . . A 6 LYS HG3 . 31256 1
49 . 1 . 1 6 6 LYS HD2 H 1 1.589 0.003 . 2 . . . . A 6 LYS HD2 . 31256 1
50 . 1 . 1 6 6 LYS HD3 H 1 1.589 0.003 . 2 . . . . A 6 LYS HD3 . 31256 1
51 . 1 . 1 6 6 LYS HE2 H 1 2.939 0.003 . 2 . . . . A 6 LYS HE2 . 31256 1
52 . 1 . 1 6 6 LYS HE3 H 1 2.939 0.003 . 2 . . . . A 6 LYS HE3 . 31256 1
53 . 1 . 1 6 6 LYS HZ1 H 1 7.589 0.003 . 1 . . . . A 6 LYS HZ1 . 31256 1
54 . 1 . 1 6 6 LYS HZ2 H 1 7.589 0.003 . 1 . . . . A 6 LYS HZ2 . 31256 1
55 . 1 . 1 6 6 LYS HZ3 H 1 7.589 0.003 . 1 . . . . A 6 LYS HZ3 . 31256 1
56 . 1 . 1 6 6 LYS CA C 13 55.536 0.140 . 1 . . . . A 6 LYS CA . 31256 1
57 . 1 . 1 6 6 LYS CB C 13 29.492 0.738 . 1 . . . . A 6 LYS CB . 31256 1
58 . 1 . 1 6 6 LYS CG C 13 22.481 0.109 . 1 . . . . A 6 LYS CG . 31256 1
59 . 1 . 1 6 6 LYS CD C 13 26.515 0.113 . 1 . . . . A 6 LYS CD . 31256 1
60 . 1 . 1 6 6 LYS CE C 13 39.507 0.122 . 1 . . . . A 6 LYS CE . 31256 1
61 . 1 . 1 7 7 MET H H 1 7.901 0.003 . 1 . . . . A 7 MET H . 31256 1
62 . 1 . 1 7 7 MET HA H 1 4.462 0.003 . 1 . . . . A 7 MET HA . 31256 1
63 . 1 . 1 7 7 MET HB2 H 1 2.032 0.000 . . . . . . A 7 MET HB2 . 31256 1
64 . 1 . 1 7 7 MET HB3 H 1 1.902 0.000 . . . . . . A 7 MET HB3 . 31256 1
65 . 1 . 1 7 7 MET HG2 H 1 2.421 0.000 . . . . . . A 7 MET HG2 . 31256 1
66 . 1 . 1 7 7 MET HG3 H 1 2.378 0.000 . . . . . . A 7 MET HG3 . 31256 1
67 . 1 . 1 7 7 MET HE1 H 1 1.943 0.003 . 1 . . . . A 7 MET HE1 . 31256 1
68 . 1 . 1 7 7 MET HE2 H 1 1.943 0.003 . 1 . . . . A 7 MET HE2 . 31256 1
69 . 1 . 1 7 7 MET HE3 H 1 1.943 0.003 . 1 . . . . A 7 MET HE3 . 31256 1
70 . 1 . 1 7 7 MET CA C 13 51.962 0.000 . 1 . . . . A 7 MET CA . 31256 1
71 . 1 . 1 7 7 MET CB C 13 30.978 0.085 . 1 . . . . A 7 MET CB . 31256 1
72 . 1 . 1 7 7 MET CG C 13 29.263 0.000 . 1 . . . . A 7 MET CG . 31256 1
73 . 1 . 1 7 7 MET CE C 13 22.668 . . 1 . . . . A 7 MET CE . 31256 1
74 . 1 . 1 7 7 MET N N 15 117.483 0.000 . 1 . . . . A 7 MET N . 31256 1
75 . 1 . 1 8 8 CYS H H 1 8.654 0.003 . 1 . . . . A 8 CYS H . 31256 1
76 . 1 . 1 8 8 CYS HA H 1 4.608 0.003 . 1 . . . . A 8 CYS HA . 31256 1
77 . 1 . 1 8 8 CYS HB2 H 1 3.384 0.003 . . . . . . A 8 CYS HB2 . 31256 1
78 . 1 . 1 8 8 CYS HB3 H 1 2.891 0.003 . . . . . . A 8 CYS HB3 . 31256 1
79 . 1 . 1 8 8 CYS CA C 13 53.936 0.000 . 1 . . . . A 8 CYS CA . 31256 1
80 . 1 . 1 8 8 CYS CB C 13 42.577 0.000 . 1 . . . . A 8 CYS CB . 31256 1
81 . 1 . 1 8 8 CYS N N 15 121.673 0.000 . 1 . . . . A 8 CYS N . 31256 1
82 . 1 . 1 9 9 HIS H H 1 8.921 0.003 . 1 . . . . A 9 HIS H . 31256 1
83 . 1 . 1 9 9 HIS HA H 1 5.240 0.003 . 1 . . . . A 9 HIS HA . 31256 1
84 . 1 . 1 9 9 HIS HB2 H 1 3.280 0.003 . 2 . . . . A 9 HIS HB2 . 31256 1
85 . 1 . 1 9 9 HIS HB3 H 1 3.280 0.003 . 2 . . . . A 9 HIS HB3 . 31256 1
86 . 1 . 1 9 9 HIS HD2 H 1 7.415 0.003 . 1 . . . . A 9 HIS HD2 . 31256 1
87 . 1 . 1 9 9 HIS HE1 H 1 8.750 0.003 . 1 . . . . A 9 HIS HE1 . 31256 1
88 . 1 . 1 9 9 HIS CA C 13 50.644 0.484 . 1 . . . . A 9 HIS CA . 31256 1
89 . 1 . 1 9 9 HIS CB C 13 26.121 0.000 . 1 . . . . A 9 HIS CB . 31256 1
90 . 1 . 1 9 9 HIS CD2 C 13 118.095 0.000 . 1 . . . . A 9 HIS CD2 . 31256 1
91 . 1 . 1 9 9 HIS CE1 C 13 133.892 0.000 . 1 . . . . A 9 HIS CE1 . 31256 1
92 . 1 . 1 9 9 HIS N N 15 124.428 0.000 . 1 . . . . A 9 HIS N . 31256 1
93 . 1 . 1 10 10 HYP CA C 13 59.795 0.000 . 1 . . . . A 10 HYP CA . 31256 1
94 . 1 . 1 10 10 HYP CB C 13 36.987 0.176 . 1 . . . . A 10 HYP CB . 31256 1
95 . 1 . 1 10 10 HYP CD C 13 55.948 0.055 . 1 . . . . A 10 HYP CD . 31256 1
96 . 1 . 1 10 10 HYP CG C 13 54.595 0.000 . 1 . . . . A 10 HYP CG . 31256 1
97 . 1 . 1 10 10 HYP HA H 1 4.893 0.003 . 1 . . . . A 10 HYP HA . 31256 1
98 . 1 . 1 10 10 HYP HB2 H 1 2.439 0.003 . . . . . . A 10 HYP HB2 . 31256 1
99 . 1 . 1 10 10 HYP HB3 H 1 2.160 0.003 . . . . . . A 10 HYP HB3 . 31256 1
100 . 1 . 1 10 10 HYP HD22 H 1 3.994 0.003 . . . . . . A 10 HYP HD22 . 31256 1
101 . 1 . 1 10 10 HYP HD23 H 1 3.893 0.003 . . . . . . A 10 HYP HD23 . 31256 1
102 . 1 . 1 10 10 HYP HG H 1 4.713 0.003 . 1 . . . . A 10 HYP HG . 31256 1
103 . 1 . 1 11 11 CYS H H 1 8.625 0.003 . 1 . . . . A 11 CYS H . 31256 1
104 . 1 . 1 11 11 CYS HA H 1 4.600 0.003 . 1 . . . . A 11 CYS HA . 31256 1
105 . 1 . 1 11 11 CYS HB2 H 1 3.341 0.003 . . . . . . A 11 CYS HB2 . 31256 1
106 . 1 . 1 11 11 CYS HB3 H 1 3.170 0.003 . . . . . . A 11 CYS HB3 . 31256 1
107 . 1 . 1 11 11 CYS CA C 13 54.582 0.000 . 1 . . . . A 11 CYS CA . 31256 1
108 . 1 . 1 11 11 CYS CB C 13 41.087 0.000 . 1 . . . . A 11 CYS CB . 31256 1
109 . 1 . 1 11 11 CYS N N 15 127.756 0.000 . 1 . . . . A 11 CYS N . 31256 1
stop_
save_