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 30864
_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' . . . 30864 1
2 '2D 1H-1H NOESY' . . . 30864 1
3 '2D 1H-13C HSQC' . . . 30864 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 PHE HA H 1 4.243 0.0 . 1 . . . . A 1 PHE HA . 30864 1
2 . 1 . 1 1 1 PHE HB2 H 1 3.162 0.0 . 1 . . . . A 1 PHE HB2 . 30864 1
3 . 1 . 1 1 1 PHE HB3 H 1 3.131 0.0 . 1 . . . . A 1 PHE HB3 . 30864 1
4 . 1 . 1 1 1 PHE HD1 H 1 7.365 0.0 . 1 . . . . A 1 PHE HD1 . 30864 1
5 . 1 . 1 1 1 PHE HE1 H 1 7.304 0.0 . 1 . . . . A 1 PHE HE1 . 30864 1
6 . 1 . 1 1 1 PHE CA C 13 56.854 0.0 . 1 . . . . A 1 PHE CA . 30864 1
7 . 1 . 1 1 1 PHE CB C 13 39.638 0.0 . 1 . . . . A 1 PHE CB . 30864 1
8 . 1 . 1 2 2 DPN H H 1 7.771 0.0 . 1 . . . . A 2 DPN H . 30864 1
9 . 1 . 1 2 2 DPN CB C 13 41.516 0.0 . 1 . . . . A 2 DPN CB . 30864 1
10 . 1 . 1 2 2 DPN HA H 1 5.635 0.0 . 1 . . . . A 2 DPN HA . 30864 1
11 . 1 . 1 2 2 DPN HB2 H 1 2.389 0.0 . 1 . . . . A 2 DPN HB2 . 30864 1
12 . 1 . 1 2 2 DPN HB3 H 1 2.36 0.0 . 1 . . . . A 2 DPN HB3 . 30864 1
13 . 1 . 1 2 2 DPN HD1 H 1 6.783 0.0 . 1 . . . . A 2 DPN HD1 . 30864 1
14 . 1 . 1 2 2 DPN HE1 H 1 7.076 0.0 . 1 . . . . A 2 DPN HE1 . 30864 1
15 . 1 . 1 3 3 PHE H H 1 9.253 0.0 . 1 . . . . A 3 PHE H . 30864 1
16 . 1 . 1 3 3 PHE HA H 1 3.871 0.0 . 1 . . . . A 3 PHE HA . 30864 1
17 . 1 . 1 3 3 PHE HB2 H 1 2.911 0.0 . 1 . . . . A 3 PHE HB2 . 30864 1
18 . 1 . 1 3 3 PHE HB3 H 1 2.875 0.0 . 1 . . . . A 3 PHE HB3 . 30864 1
19 . 1 . 1 3 3 PHE HD1 H 1 7.09 0.0 . 1 . . . . A 3 PHE HD1 . 30864 1
20 . 1 . 1 3 3 PHE HE1 H 1 7.199 0.0 . 1 . . . . A 3 PHE HE1 . 30864 1
21 . 1 . 1 3 3 PHE CA C 13 61.546 0.0 . 1 . . . . A 3 PHE CA . 30864 1
22 . 1 . 1 3 3 PHE CB C 13 38.48 0.0 . 1 . . . . A 3 PHE CB . 30864 1
23 . 1 . 1 4 4 ASP H H 1 8.479 0.0 . 1 . . . . A 4 ASP H . 30864 1
24 . 1 . 1 4 4 ASP HA H 1 4.152 0.0 . 1 . . . . A 4 ASP HA . 30864 1
25 . 1 . 1 4 4 ASP HB2 H 1 2.658 0.0 . 1 . . . . A 4 ASP HB2 . 30864 1
26 . 1 . 1 4 4 ASP HB3 H 1 2.615 0.0 . 1 . . . . A 4 ASP HB3 . 30864 1
27 . 1 . 1 4 4 ASP CA C 13 56.925 0.0 . 1 . . . . A 4 ASP CA . 30864 1
28 . 1 . 1 4 4 ASP CB C 13 38.368 0.0 . 1 . . . . A 4 ASP CB . 30864 1
29 . 1 . 1 5 5 THR H H 1 7.66 0.0 . 1 . . . . A 5 THR H . 30864 1
30 . 1 . 1 5 5 THR HA H 1 3.982 0.0 . 1 . . . . A 5 THR HA . 30864 1
31 . 1 . 1 5 5 THR HB H 1 4.044 0.0 . 1 . . . . A 5 THR HB . 30864 1
32 . 1 . 1 5 5 THR HG21 H 1 1.334 0.0 . 1 . . . . A 5 THR HG21 . 30864 1
33 . 1 . 1 5 5 THR HG22 H 1 1.334 0.0 . 1 . . . . A 5 THR HG22 . 30864 1
34 . 1 . 1 5 5 THR HG23 H 1 1.334 0.0 . 1 . . . . A 5 THR HG23 . 30864 1
35 . 1 . 1 5 5 THR CA C 13 66.054 0.0 . 1 . . . . A 5 THR CA . 30864 1
36 . 1 . 1 5 5 THR CB C 13 68.915 0.0 . 1 . . . . A 5 THR CB . 30864 1
37 . 1 . 1 6 6 LEU H H 1 7.503 0.0 . 1 . . . . A 6 LEU H . 30864 1
38 . 1 . 1 6 6 LEU HA H 1 3.971 0.0 . 1 . . . . A 6 LEU HA . 30864 1
39 . 1 . 1 6 6 LEU HB2 H 1 1.801 0.0 . 1 . . . . A 6 LEU HB2 . 30864 1
40 . 1 . 1 6 6 LEU HB3 H 1 1.74 0.0 . 1 . . . . A 6 LEU HB3 . 30864 1
41 . 1 . 1 6 6 LEU HG H 1 1.493 0.0 . 1 . . . . A 6 LEU HG . 30864 1
42 . 1 . 1 6 6 LEU HD11 H 1 0.944 0.0 . 1 . . . . A 6 LEU HD11 . 30864 1
43 . 1 . 1 6 6 LEU HD12 H 1 0.944 0.0 . 2 . . . . A 6 LEU HD12 . 30864 1
44 . 1 . 1 6 6 LEU HD13 H 1 0.944 0.0 . 2 . . . . A 6 LEU HD13 . 30864 1
45 . 1 . 1 6 6 LEU HD21 H 1 0.865 0.0 . 1 . . . . A 6 LEU HD21 . 30864 1
46 . 1 . 1 6 6 LEU HD22 H 1 0.865 0.0 . 2 . . . . A 6 LEU HD22 . 30864 1
47 . 1 . 1 6 6 LEU HD23 H 1 0.865 0.0 . 2 . . . . A 6 LEU HD23 . 30864 1
48 . 1 . 1 6 6 LEU CA C 13 57.93 0.0 . 1 . . . . A 6 LEU CA . 30864 1
49 . 1 . 1 7 7 LYS H H 1 8.254 0.0 . 1 . . . . A 7 LYS H . 30864 1
50 . 1 . 1 7 7 LYS HA H 1 3.781 0.0 . 1 . . . . A 7 LYS HA . 30864 1
51 . 1 . 1 7 7 LYS HB2 H 1 1.735 0.0 . 1 . . . . A 7 LYS HB2 . 30864 1
52 . 1 . 1 7 7 LYS CA C 13 60.459 0.0 . 1 . . . . A 7 LYS CA . 30864 1
53 . 1 . 1 7 7 LYS CB C 13 32.168 0.0 . 1 . . . . A 7 LYS CB . 30864 1
54 . 1 . 1 8 8 ASN H H 1 8.149 0.0 . 1 . . . . A 8 ASN H . 30864 1
55 . 1 . 1 8 8 ASN HA H 1 4.497 0.0 . 1 . . . . A 8 ASN HA . 30864 1
56 . 1 . 1 8 8 ASN HB2 H 1 2.874 0.0 . 1 . . . . A 8 ASN HB2 . 30864 1
57 . 1 . 1 8 8 ASN HB3 H 1 2.876 0.0 . 1 . . . . A 8 ASN HB3 . 30864 1
58 . 1 . 1 8 8 ASN HD21 H 1 7.748 0.0 . 1 . . . . A 8 ASN HD21 . 30864 1
59 . 1 . 1 8 8 ASN HD22 H 1 6.918 0.0 . 1 . . . . A 8 ASN HD22 . 30864 1
60 . 1 . 1 8 8 ASN CA C 13 55.948 0.0 . 1 . . . . A 8 ASN CA . 30864 1
61 . 1 . 1 8 8 ASN CB C 13 38.399 0.0 . 1 . . . . A 8 ASN CB . 30864 1
62 . 1 . 1 9 9 LEU H H 1 8.216 0.0 . 1 . . . . A 9 LEU H . 30864 1
63 . 1 . 1 9 9 LEU HA H 1 4.102 0.0 . 1 . . . . A 9 LEU HA . 30864 1
64 . 1 . 1 9 9 LEU HB2 H 1 1.704 0.0 . 1 . . . . A 9 LEU HB2 . 30864 1
65 . 1 . 1 9 9 LEU HB3 H 1 1.713 0.0 . 1 . . . . A 9 LEU HB3 . 30864 1
66 . 1 . 1 9 9 LEU HD21 H 1 0.902 0.0 . 1 . . . . A 9 LEU HD21 . 30864 1
67 . 1 . 1 9 9 LEU HD22 H 1 0.902 0.0 . 2 . . . . A 9 LEU HD22 . 30864 1
68 . 1 . 1 9 9 LEU HD23 H 1 0.902 0.0 . 2 . . . . A 9 LEU HD23 . 30864 1
69 . 1 . 1 9 9 LEU CA C 13 58.031 0.0 . 1 . . . . A 9 LEU CA . 30864 1
70 . 1 . 1 9 9 LEU CB C 13 42.091 0.0 . 1 . . . . A 9 LEU CB . 30864 1
71 . 1 . 1 10 10 ALA H H 1 8.551 0.0 . 1 . . . . A 10 ALA H . 30864 1
72 . 1 . 1 10 10 ALA HA H 1 3.937 0.0 . 1 . . . . A 10 ALA HA . 30864 1
73 . 1 . 1 10 10 ALA HB1 H 1 1.499 0.0 . 1 . . . . A 10 ALA HB1 . 30864 1
74 . 1 . 1 10 10 ALA HB2 H 1 1.499 0.0 . 1 . . . . A 10 ALA HB2 . 30864 1
75 . 1 . 1 10 10 ALA HB3 H 1 1.499 0.0 . 1 . . . . A 10 ALA HB3 . 30864 1
76 . 1 . 1 10 10 ALA CA C 13 55.605 0.0 . 1 . . . . A 10 ALA CA . 30864 1
77 . 1 . 1 10 10 ALA CB C 13 18.268 0.0 . 1 . . . . A 10 ALA CB . 30864 1
78 . 1 . 1 11 11 GLY H H 1 8.21 0.0 . 1 . . . . A 11 GLY H . 30864 1
79 . 1 . 1 11 11 GLY HA2 H 1 3.812 0.0 . 1 . . . . A 11 GLY HA2 . 30864 1
80 . 1 . 1 11 11 GLY HA3 H 1 3.775 0.0 . 1 . . . . A 11 GLY HA3 . 30864 1
81 . 1 . 1 11 11 GLY CA C 13 47.432 0.0 . 1 . . . . A 11 GLY CA . 30864 1
82 . 1 . 1 12 12 LYS H H 1 7.811 0.0 . 1 . . . . A 12 LYS H . 30864 1
83 . 1 . 1 12 12 LYS HA H 1 4.227 0.0 . 1 . . . . A 12 LYS HA . 30864 1
84 . 1 . 1 12 12 LYS HB2 H 1 1.921 0.0 . 1 . . . . A 12 LYS HB2 . 30864 1
85 . 1 . 1 12 12 LYS CA C 13 58.752 0.0 . 1 . . . . A 12 LYS CA . 30864 1
86 . 1 . 1 12 12 LYS CB C 13 32.687 0.0 . 1 . . . . A 12 LYS CB . 30864 1
87 . 1 . 1 13 13 VAL H H 1 8.079 0.0 . 1 . . . . A 13 VAL H . 30864 1
88 . 1 . 1 13 13 VAL HA H 1 3.66 0.0 . 1 . . . . A 13 VAL HA . 30864 1
89 . 1 . 1 13 13 VAL HB H 1 2.239 0.0 . 1 . . . . A 13 VAL HB . 30864 1
90 . 1 . 1 13 13 VAL HG11 H 1 0.94 0.0 . 1 . . . . A 13 VAL HG11 . 30864 1
91 . 1 . 1 13 13 VAL HG12 H 1 0.94 0.0 . 2 . . . . A 13 VAL HG12 . 30864 1
92 . 1 . 1 13 13 VAL HG13 H 1 0.94 0.0 . 2 . . . . A 13 VAL HG13 . 30864 1
93 . 1 . 1 13 13 VAL HG21 H 1 1.014 0.0 . 1 . . . . A 13 VAL HG21 . 30864 1
94 . 1 . 1 13 13 VAL HG22 H 1 1.014 0.0 . 2 . . . . A 13 VAL HG22 . 30864 1
95 . 1 . 1 13 13 VAL HG23 H 1 1.014 0.0 . 2 . . . . A 13 VAL HG23 . 30864 1
96 . 1 . 1 13 13 VAL CA C 13 66.744 0.0 . 1 . . . . A 13 VAL CA . 30864 1
97 . 1 . 1 14 14 ILE H H 1 8.469 0.0 . 1 . . . . A 14 ILE H . 30864 1
98 . 1 . 1 14 14 ILE HA H 1 3.701 0.0 . 1 . . . . A 14 ILE HA . 30864 1
99 . 1 . 1 14 14 ILE HB H 1 1.957 0.0 . 1 . . . . A 14 ILE HB . 30864 1
100 . 1 . 1 14 14 ILE HG12 H 1 1.736 0.0 . 1 . . . . A 14 ILE HG12 . 30864 1
101 . 1 . 1 14 14 ILE HG21 H 1 1.186 0.0 . 1 . . . . A 14 ILE HG21 . 30864 1
102 . 1 . 1 14 14 ILE HG22 H 1 1.186 0.0 . 1 . . . . A 14 ILE HG22 . 30864 1
103 . 1 . 1 14 14 ILE HG23 H 1 1.186 0.0 . 1 . . . . A 14 ILE HG23 . 30864 1
104 . 1 . 1 14 14 ILE HD11 H 1 0.91 0.0 . 1 . . . . A 14 ILE HD11 . 30864 1
105 . 1 . 1 14 14 ILE HD12 H 1 0.91 0.0 . 1 . . . . A 14 ILE HD12 . 30864 1
106 . 1 . 1 14 14 ILE HD13 H 1 0.91 0.0 . 1 . . . . A 14 ILE HD13 . 30864 1
107 . 1 . 1 14 14 ILE CA C 13 65.075 0.0 . 1 . . . . A 14 ILE CA . 30864 1
108 . 1 . 1 14 14 ILE CB C 13 37.798 0.0 . 1 . . . . A 14 ILE CB . 30864 1
109 . 1 . 1 15 15 GLY H H 1 8.27 0.0 . 1 . . . . A 15 GLY H . 30864 1
110 . 1 . 1 15 15 GLY HA2 H 1 3.843 0.0 . 1 . . . . A 15 GLY HA2 . 30864 1
111 . 1 . 1 15 15 GLY HA3 H 1 3.816 0.0 . 1 . . . . A 15 GLY HA3 . 30864 1
112 . 1 . 1 15 15 GLY CA C 13 47.057 0.0 . 1 . . . . A 15 GLY CA . 30864 1
113 . 1 . 1 16 16 ALA HA H 1 4.281 0.0 . 1 . . . . A 16 ALA HA . 30864 1
114 . 1 . 1 16 16 ALA HB1 H 1 1.557 0.0 . 1 . . . . A 16 ALA HB1 . 30864 1
115 . 1 . 1 16 16 ALA HB2 H 1 1.557 0.0 . 1 . . . . A 16 ALA HB2 . 30864 1
116 . 1 . 1 16 16 ALA HB3 H 1 1.557 0.0 . 1 . . . . A 16 ALA HB3 . 30864 1
117 . 1 . 1 16 16 ALA CA C 13 54.182 0.0 . 1 . . . . A 16 ALA CA . 30864 1
118 . 1 . 1 16 16 ALA CB C 13 18.889 0.0 . 1 . . . . A 16 ALA CB . 30864 1
119 . 1 . 1 17 17 LEU HA H 1 4.268 0.0 . 1 . . . . A 17 LEU HA . 30864 1
120 . 1 . 1 17 17 LEU HB3 H 1 1.63 0.0 . 1 . . . . A 17 LEU HB3 . 30864 1
121 . 1 . 1 17 17 LEU CA C 13 56.302 0.0 . 1 . . . . A 17 LEU CA . 30864 1
122 . 1 . 1 17 17 LEU CB C 13 43.147 0.0 . 1 . . . . A 17 LEU CB . 30864 1
123 . 1 . 1 18 18 THR H H 1 7.768 0.0 . 1 . . . . A 18 THR H . 30864 1
124 . 1 . 1 18 18 THR HA H 1 4.326 0.0 . 1 . . . . A 18 THR HA . 30864 1
stop_
save_