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 36414
_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 $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 NOESY' 1 $unlabeled_sample isotropic 36414 1
2 '2D TOCSY' 1 $unlabeled_sample isotropic 36414 1
3 '2D 1H-13C HSQC' 1 $unlabeled_sample isotropic 36414 1
4 '2D COSY' 1 $unlabeled_sample isotropic 36414 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 8.127 0.00 . 1 . . . . A 1 GLY H1 . 36414 1
2 . 1 . 1 1 1 GLY HA2 H 1 3.980 0.01 . 2 . . . . A 1 GLY HA2 . 36414 1
3 . 1 . 1 1 1 GLY HA3 H 1 3.924 0.00 . 2 . . . . A 1 GLY HA3 . 36414 1
4 . 1 . 1 1 1 GLY CA C 13 42.422 0.00 . 1 . . . . A 1 GLY CA . 36414 1
5 . 1 . 1 2 2 THR H H 1 8.316 0.00 . 1 . . . . A 2 THR H . 36414 1
6 . 1 . 1 2 2 THR HA H 1 4.932 0.00 . 1 . . . . A 2 THR HA . 36414 1
7 . 1 . 1 2 2 THR HB H 1 4.328 0.00 . 1 . . . . A 2 THR HB . 36414 1
8 . 1 . 1 2 2 THR CA C 13 55.461 0.00 . 1 . . . . A 2 THR CA . 36414 1
9 . 1 . 1 3 3 ILE H H 1 8.506 0.00 . 1 . . . . A 3 ILE H . 36414 1
10 . 1 . 1 3 3 ILE HA H 1 4.199 0.00 . 1 . . . . A 3 ILE HA . 36414 1
11 . 1 . 1 3 3 ILE HB H 1 1.555 0.00 . 1 . . . . A 3 ILE HB . 36414 1
12 . 1 . 1 3 3 ILE HG12 H 1 1.472 0.00 . 2 . . . . A 3 ILE HG12 . 36414 1
13 . 1 . 1 3 3 ILE HG13 H 1 1.316 0.00 . 2 . . . . A 3 ILE HG13 . 36414 1
14 . 1 . 1 3 3 ILE HG21 H 1 0.847 0.00 . 1 . . . . A 3 ILE HG21 . 36414 1
15 . 1 . 1 3 3 ILE HG22 H 1 0.847 0.00 . 1 . . . . A 3 ILE HG22 . 36414 1
16 . 1 . 1 3 3 ILE HG23 H 1 0.847 0.00 . 1 . . . . A 3 ILE HG23 . 36414 1
17 . 1 . 1 3 3 ILE HD11 H 1 0.804 0.00 . 1 . . . . A 3 ILE HD11 . 36414 1
18 . 1 . 1 3 3 ILE HD12 H 1 0.804 0.00 . 1 . . . . A 3 ILE HD12 . 36414 1
19 . 1 . 1 3 3 ILE HD13 H 1 0.804 0.00 . 1 . . . . A 3 ILE HD13 . 36414 1
20 . 1 . 1 3 3 ILE CA C 13 52.772 0.00 . 1 . . . . A 3 ILE CA . 36414 1
21 . 1 . 1 3 3 ILE CB C 13 39.980 0.00 . 1 . . . . A 3 ILE CB . 36414 1
22 . 1 . 1 4 4 ASP H H 1 8.077 0.00 . 1 . . . . A 4 ASP H . 36414 1
23 . 1 . 1 4 4 ASP HA H 1 4.180 0.02 . 1 . . . . A 4 ASP HA . 36414 1
24 . 1 . 1 4 4 ASP HB2 H 1 2.292 0.00 . 2 . . . . A 4 ASP HB2 . 36414 1
25 . 1 . 1 4 4 ASP CA C 13 53.152 0.00 . 1 . . . . A 4 ASP CA . 36414 1
26 . 1 . 1 4 4 ASP CB C 13 29.535 0.00 . 1 . . . . A 4 ASP CB . 36414 1
27 . 1 . 1 5 5 PRO HA H 1 5.225 0.00 . 1 . . . . A 5 PRO HA . 36414 1
28 . 1 . 1 5 5 PRO HB2 H 1 3.062 0.00 . 2 . . . . A 5 PRO HB2 . 36414 1
29 . 1 . 1 5 5 PRO HB3 H 1 2.672 0.00 . 2 . . . . A 5 PRO HB3 . 36414 1
30 . 1 . 1 6 6 GLN H H 1 8.737 0.00 . 1 . . . . A 6 GLN H . 36414 1
31 . 1 . 1 6 6 GLN HA H 1 4.323 0.00 . 1 . . . . A 6 GLN HA . 36414 1
32 . 1 . 1 6 6 GLN HB2 H 1 2.037 0.00 . 2 . . . . A 6 GLN HB2 . 36414 1
33 . 1 . 1 6 6 GLN HB3 H 1 1.868 0.00 . 2 . . . . A 6 GLN HB3 . 36414 1
34 . 1 . 1 6 6 GLN HG2 H 1 2.371 0.00 . 2 . . . . A 6 GLN HG2 . 36414 1
35 . 1 . 1 6 6 GLN CA C 13 52.869 0.00 . 1 . . . . A 6 GLN CA . 36414 1
36 . 1 . 1 6 6 GLN CB C 13 26.268 0.02 . 1 . . . . A 6 GLN CB . 36414 1
37 . 1 . 1 6 6 GLN CG C 13 29.841 0.00 . 1 . . . . A 6 GLN CG . 36414 1
38 . 1 . 1 7 7 ASN H H 1 8.404 0.00 . 1 . . . . A 7 ASN H . 36414 1
39 . 1 . 1 7 7 ASN HA H 1 5.220 0.00 . 1 . . . . A 7 ASN HA . 36414 1
40 . 1 . 1 7 7 ASN HB2 H 1 3.059 0.00 . 2 . . . . A 7 ASN HB2 . 36414 1
41 . 1 . 1 7 7 ASN HB3 H 1 2.672 0.00 . 2 . . . . A 7 ASN HB3 . 36414 1
42 . 1 . 1 7 7 ASN CA C 13 49.203 0.00 . 1 . . . . A 7 ASN CA . 36414 1
43 . 1 . 1 7 7 ASN CB C 13 34.799 0.00 . 1 . . . . A 7 ASN CB . 36414 1
44 . 1 . 1 8 8 SER H H 1 8.478 0.00 . 1 . . . . A 8 SER H . 36414 1
45 . 1 . 1 8 8 SER HA H 1 4.433 0.00 . 1 . . . . A 8 SER HA . 36414 1
46 . 1 . 1 8 8 SER HB2 H 1 4.110 0.01 . 2 . . . . A 8 SER HB2 . 36414 1
47 . 1 . 1 8 8 SER HB3 H 1 3.914 0.00 . 2 . . . . A 8 SER HB3 . 36414 1
48 . 1 . 1 8 8 SER CB C 13 59.923 0.00 . 1 . . . . A 8 SER CB . 36414 1
49 . 1 . 1 9 9 GLU H H 1 8.076 0.00 . 1 . . . . A 9 GLU H . 36414 1
50 . 1 . 1 9 9 GLU HA H 1 3.756 0.00 . 1 . . . . A 9 GLU HA . 36414 1
51 . 1 . 1 9 9 GLU HB2 H 1 2.094 0.00 . 2 . . . . A 9 GLU HB2 . 36414 1
52 . 1 . 1 9 9 GLU HB3 H 1 2.035 0.00 . 2 . . . . A 9 GLU HB3 . 36414 1
53 . 1 . 1 10 10 GLU H H 1 8.969 0.00 . 1 . . . . A 10 GLU H . 36414 1
54 . 1 . 1 10 10 GLU HA H 1 4.093 0.00 . 1 . . . . A 10 GLU HA . 36414 1
55 . 1 . 1 10 10 GLU HB2 H 1 2.239 0.00 . 2 . . . . A 10 GLU HB2 . 36414 1
56 . 1 . 1 10 10 GLU HB3 H 1 1.813 0.01 . 2 . . . . A 10 GLU HB3 . 36414 1
57 . 1 . 1 10 10 GLU HG2 H 1 1.603 0.00 . 2 . . . . A 10 GLU HG2 . 36414 1
58 . 1 . 1 10 10 GLU CA C 13 55.116 0.00 . 1 . . . . A 10 GLU CA . 36414 1
59 . 1 . 1 10 10 GLU CB C 13 32.007 0.01 . 1 . . . . A 10 GLU CB . 36414 1
60 . 1 . 1 11 11 HIS H H 1 8.548 0.00 . 1 . . . . A 11 HIS H . 36414 1
61 . 1 . 1 11 11 HIS HA H 1 4.911 0.00 . 1 . . . . A 11 HIS HA . 36414 1
62 . 1 . 1 11 11 HIS HB2 H 1 3.430 0.00 . 2 . . . . A 11 HIS HB2 . 36414 1
63 . 1 . 1 11 11 HIS HB3 H 1 2.990 0.01 . 2 . . . . A 11 HIS HB3 . 36414 1
64 . 1 . 1 11 11 HIS HD1 H 1 7.505 0.00 . 1 . . . . A 11 HIS HD1 . 36414 1
65 . 1 . 1 11 11 HIS HE1 H 1 8.652 0.00 . 1 . . . . A 11 HIS HE1 . 36414 1
66 . 1 . 1 11 11 HIS CA C 13 51.906 0.00 . 1 . . . . A 11 HIS CA . 36414 1
67 . 1 . 1 11 11 HIS CB C 13 26.608 0.00 . 1 . . . . A 11 HIS CB . 36414 1
68 . 1 . 1 12 12 PRO HA H 1 4.464 0.00 . 1 . . . . A 12 PRO HA . 36414 1
69 . 1 . 1 12 12 PRO HB2 H 1 1.471 0.00 . 2 . . . . A 12 PRO HB2 . 36414 1
70 . 1 . 1 13 13 VAL H H 1 8.416 0.00 . 1 . . . . A 13 VAL H . 36414 1
71 . 1 . 1 13 13 VAL HA H 1 3.294 0.00 . 1 . . . . A 13 VAL HA . 36414 1
72 . 1 . 1 13 13 VAL HB H 1 2.343 0.01 . 1 . . . . A 13 VAL HB . 36414 1
73 . 1 . 1 13 13 VAL HG11 H 1 0.812 0.00 . 2 . . . . A 13 VAL HG11 . 36414 1
74 . 1 . 1 13 13 VAL HG12 H 1 0.812 0.00 . 2 . . . . A 13 VAL HG12 . 36414 1
75 . 1 . 1 13 13 VAL HG13 H 1 0.812 0.00 . 2 . . . . A 13 VAL HG13 . 36414 1
76 . 1 . 1 13 13 VAL CA C 13 65.290 0.00 . 1 . . . . A 13 VAL CA . 36414 1
77 . 1 . 1 13 13 VAL CB C 13 28.189 0.00 . 1 . . . . A 13 VAL CB . 36414 1
78 . 1 . 1 14 14 LEU H H 1 8.875 0.00 . 1 . . . . A 14 LEU H . 36414 1
79 . 1 . 1 14 14 LEU HA H 1 3.893 0.00 . 1 . . . . A 14 LEU HA . 36414 1
80 . 1 . 1 14 14 LEU HB2 H 1 1.686 0.01 . 2 . . . . A 14 LEU HB2 . 36414 1
81 . 1 . 1 14 14 LEU HG H 1 0.844 0.00 . 1 . . . . A 14 LEU HG . 36414 1
82 . 1 . 1 14 14 LEU HD11 H 1 0.959 0.00 . 2 . . . . A 14 LEU HD11 . 36414 1
83 . 1 . 1 14 14 LEU HD12 H 1 0.959 0.00 . 2 . . . . A 14 LEU HD12 . 36414 1
84 . 1 . 1 14 14 LEU HD13 H 1 0.959 0.00 . 2 . . . . A 14 LEU HD13 . 36414 1
85 . 1 . 1 14 14 LEU CA C 13 61.450 0.00 . 1 . . . . A 14 LEU CA . 36414 1
86 . 1 . 1 14 14 LEU CB C 13 34.750 0.00 . 1 . . . . A 14 LEU CB . 36414 1
87 . 1 . 1 15 15 SER H H 1 8.150 0.00 . 1 . . . . A 15 SER H . 36414 1
88 . 1 . 1 15 15 SER HA H 1 4.589 0.00 . 1 . . . . A 15 SER HA . 36414 1
89 . 1 . 1 15 15 SER HB2 H 1 3.841 0.00 . 2 . . . . A 15 SER HB2 . 36414 1
90 . 1 . 1 15 15 SER CA C 13 58.691 0.00 . 1 . . . . A 15 SER CA . 36414 1
91 . 1 . 1 15 15 SER CB C 13 68.536 0.00 . 1 . . . . A 15 SER CB . 36414 1
92 . 1 . 1 16 16 ARG H H 1 8.166 0.00 . 1 . . . . A 16 ARG H . 36414 1
93 . 1 . 1 16 16 ARG HA H 1 4.857 0.01 . 1 . . . . A 16 ARG HA . 36414 1
94 . 1 . 1 16 16 ARG HB2 H 1 1.313 0.00 . 2 . . . . A 16 ARG HB2 . 36414 1
95 . 1 . 1 16 16 ARG HB3 H 1 1.099 0.00 . 2 . . . . A 16 ARG HB3 . 36414 1
96 . 1 . 1 16 16 ARG HG2 H 1 1.033 0.00 . 2 . . . . A 16 ARG HG2 . 36414 1
97 . 1 . 1 16 16 ARG HD2 H 1 2.635 0.00 . 2 . . . . A 16 ARG HD2 . 36414 1
98 . 1 . 1 16 16 ARG HD3 H 1 2.373 0.00 . 2 . . . . A 16 ARG HD3 . 36414 1
99 . 1 . 1 16 16 ARG HE H 1 6.703 0.00 . 1 . . . . A 16 ARG HE . 36414 1
100 . 1 . 1 16 16 ARG CA C 13 52.216 0.00 . 1 . . . . A 16 ARG CA . 36414 1
101 . 1 . 1 16 16 ARG CB C 13 25.160 0.02 . 1 . . . . A 16 ARG CB . 36414 1
102 . 1 . 1 17 17 ARG H H 1 9.464 0.00 . 1 . . . . A 17 ARG H . 36414 1
103 . 1 . 1 17 17 ARG HA H 1 4.922 0.00 . 1 . . . . A 17 ARG HA . 36414 1
104 . 1 . 1 17 17 ARG HB2 H 1 1.929 0.00 . 2 . . . . A 17 ARG HB2 . 36414 1
105 . 1 . 1 17 17 ARG HB3 H 1 1.752 0.01 . 2 . . . . A 17 ARG HB3 . 36414 1
106 . 1 . 1 17 17 ARG HG2 H 1 1.549 0.00 . 2 . . . . A 17 ARG HG2 . 36414 1
107 . 1 . 1 17 17 ARG HD2 H 1 3.040 0.01 . 2 . . . . A 17 ARG HD2 . 36414 1
108 . 1 . 1 17 17 ARG HE H 1 6.893 0.00 . 1 . . . . A 17 ARG HE . 36414 1
109 . 1 . 1 17 17 ARG CA C 13 50.327 0.00 . 1 . . . . A 17 ARG CA . 36414 1
110 . 1 . 1 17 17 ARG CB C 13 30.642 0.00 . 1 . . . . A 17 ARG CB . 36414 1
111 . 1 . 1 18 18 LEU H H 1 8.296 0.00 . 1 . . . . A 18 LEU H . 36414 1
112 . 1 . 1 18 18 LEU HA H 1 3.991 0.00 . 1 . . . . A 18 LEU HA . 36414 1
113 . 1 . 1 18 18 LEU HB2 H 1 1.958 0.00 . 2 . . . . A 18 LEU HB2 . 36414 1
114 . 1 . 1 18 18 LEU HG H 1 1.786 0.00 . 1 . . . . A 18 LEU HG . 36414 1
115 . 1 . 1 18 18 LEU HD11 H 1 0.887 0.00 . 2 . . . . A 18 LEU HD11 . 36414 1
116 . 1 . 1 18 18 LEU HD12 H 1 0.887 0.00 . 2 . . . . A 18 LEU HD12 . 36414 1
117 . 1 . 1 18 18 LEU HD13 H 1 0.887 0.00 . 2 . . . . A 18 LEU HD13 . 36414 1
118 . 1 . 1 18 18 LEU CA C 13 59.809 0.00 . 1 . . . . A 18 LEU CA . 36414 1
119 . 1 . 1 19 19 GLU H H 1 7.770 0.00 . 1 . . . . A 19 GLU H . 36414 1
120 . 1 . 1 19 19 GLU HA H 1 4.254 0.00 . 1 . . . . A 19 GLU HA . 36414 1
121 . 1 . 1 19 19 GLU HB2 H 1 2.023 0.00 . 2 . . . . A 19 GLU HB2 . 36414 1
122 . 1 . 1 19 19 GLU HB3 H 1 1.924 0.00 . 2 . . . . A 19 GLU HB3 . 36414 1
123 . 1 . 1 19 19 GLU HG2 H 1 2.260 0.01 . 2 . . . . A 19 GLU HG2 . 36414 1
124 . 1 . 1 19 19 GLU HG3 H 1 2.144 0.01 . 2 . . . . A 19 GLU HG3 . 36414 1
125 . 1 . 1 19 19 GLU CA C 13 52.426 0.00 . 1 . . . . A 19 GLU CA . 36414 1
126 . 1 . 1 19 19 GLU CB C 13 25.808 0.00 . 1 . . . . A 19 GLU CB . 36414 1
127 . 1 . 1 19 19 GLU CG C 13 31.145 0.02 . 1 . . . . A 19 GLU CG . 36414 1
128 . 1 . 1 20 20 ASN H H 1 7.784 0.00 . 1 . . . . A 20 ASN H . 36414 1
129 . 1 . 1 20 20 ASN HA H 1 4.855 0.00 . 1 . . . . A 20 ASN HA . 36414 1
130 . 1 . 1 20 20 ASN HB2 H 1 2.864 0.01 . 2 . . . . A 20 ASN HB2 . 36414 1
131 . 1 . 1 20 20 ASN HB3 H 1 2.533 0.00 . 2 . . . . A 20 ASN HB3 . 36414 1
132 . 1 . 1 20 20 ASN CA C 13 50.137 0.00 . 1 . . . . A 20 ASN CA . 36414 1
133 . 1 . 1 20 20 ASN CB C 13 40.337 0.00 . 1 . . . . A 20 ASN CB . 36414 1
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