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 30263
_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' . . . 30263 1
2 '2D 1H-1H NOESY' . . . 30263 1
3 '2D 1H-13C HSQC' . . . 30263 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 8.6440 0.0000 . 1 . . . . A 1 ARG H1 . 30263 1
2 . 1 . 1 1 1 ARG HA H 1 4.3910 0.0000 . 1 . . . . A 1 ARG HA . 30263 1
3 . 1 . 1 1 1 ARG HB2 H 1 2.0400 0.0000 . 1 . . . . A 1 ARG HB2 . 30263 1
4 . 1 . 1 1 1 ARG HG2 H 1 1.8690 0.0000 . 1 . . . . A 1 ARG HG2 . 30263 1
5 . 1 . 1 1 1 ARG HD2 H 1 3.2200 0.0000 . 1 . . . . A 1 ARG HD2 . 30263 1
6 . 1 . 1 1 1 ARG CA C 13 59.1300 0.0000 . 1 . . . . A 1 ARG CA . 30263 1
7 . 1 . 1 2 2 GLN H H 1 8.0690 0.0000 . 1 . . . . A 2 GLN H . 30263 1
8 . 1 . 1 2 2 GLN HA H 1 4.0280 0.0000 . 1 . . . . A 2 GLN HA . 30263 1
9 . 1 . 1 2 2 GLN HB2 H 1 2.2800 0.0000 . 2 . . . . A 2 GLN HB2 . 30263 1
10 . 1 . 1 2 2 GLN HG2 H 1 2.5200 0.0000 . 2 . . . . A 2 GLN HG2 . 30263 1
11 . 1 . 1 2 2 GLN HE21 H 1 6.7830 0.0000 . 2 . . . . A 2 GLN HE21 . 30263 1
12 . 1 . 1 2 2 GLN HE22 H 1 7.3240 0.0000 . 2 . . . . A 2 GLN HE22 . 30263 1
13 . 1 . 1 2 2 GLN CA C 13 58.0150 0.0000 . 1 . . . . A 2 GLN CA . 30263 1
14 . 1 . 1 3 3 TYR H H 1 8.0690 0.0000 . 1 . . . . A 3 TYR H . 30263 1
15 . 1 . 1 3 3 TYR HA H 1 4.6510 0.0000 . 1 . . . . A 3 TYR HA . 30263 1
16 . 1 . 1 3 3 TYR HB2 H 1 3.1380 0.0000 . 2 . . . . A 3 TYR HB2 . 30263 1
17 . 1 . 1 3 3 TYR HD1 H 1 7.1690 0.0000 . 3 . . . . A 3 TYR HD1 . 30263 1
18 . 1 . 1 3 3 TYR HE1 H 1 6.8400 0.0000 . 3 . . . . A 3 TYR HE1 . 30263 1
19 . 1 . 1 3 3 TYR CA C 13 60.6060 0.0000 . 1 . . . . A 3 TYR CA . 30263 1
20 . 1 . 1 4 4 MET H H 1 8.0260 0.0000 . 1 . . . . A 4 MET H . 30263 1
21 . 1 . 1 4 4 MET HA H 1 4.2960 0.0000 . 1 . . . . A 4 MET HA . 30263 1
22 . 1 . 1 4 4 MET HB2 H 1 2.2150 0.0000 . 1 . . . . A 4 MET HB2 . 30263 1
23 . 1 . 1 4 4 MET HG2 H 1 2.6700 0.0000 . 1 . . . . A 4 MET HG2 . 30263 1
24 . 1 . 1 4 4 MET HE1 H 1 1.6300 0.0000 . 1 . . . . A 4 MET HE1 . 30263 1
25 . 1 . 1 4 4 MET HE2 H 1 1.6300 0.0000 . 1 . . . . A 4 MET HE2 . 30263 1
26 . 1 . 1 4 4 MET HE3 H 1 1.6300 0.0000 . 1 . . . . A 4 MET HE3 . 30263 1
27 . 1 . 1 4 4 MET CA C 13 55.9150 0.0000 . 1 . . . . A 4 MET CA . 30263 1
28 . 1 . 1 5 5 ARG H H 1 7.8050 0.0000 . 1 . . . . A 5 ARG H . 30263 1
29 . 1 . 1 5 5 ARG HA H 1 4.1940 0.0000 . 1 . . . . A 5 ARG HA . 30263 1
30 . 1 . 1 5 5 ARG HB2 H 1 1.8340 0.0000 . 1 . . . . A 5 ARG HB2 . 30263 1
31 . 1 . 1 5 5 ARG HG2 H 1 1.6760 0.0000 . 1 . . . . A 5 ARG HG2 . 30263 1
32 . 1 . 1 5 5 ARG HD2 H 1 3.2030 0.0000 . 1 . . . . A 5 ARG HD2 . 30263 1
33 . 1 . 1 5 5 ARG CA C 13 59.3620 0.0000 . 1 . . . . A 5 ARG CA . 30263 1
34 . 1 . 1 6 6 GLN H H 1 8.1990 0.0000 . 1 . . . . A 6 GLN H . 30263 1
35 . 1 . 1 6 6 GLN HA H 1 4.1060 0.0000 . 1 . . . . A 6 GLN HA . 30263 1
36 . 1 . 1 6 6 GLN HB2 H 1 1.5840 0.0000 . 1 . . . . A 6 GLN HB2 . 30263 1
37 . 1 . 1 6 6 GLN HG2 H 1 1.8870 0.0000 . 1 . . . . A 6 GLN HG2 . 30263 1
38 . 1 . 1 6 6 GLN HE21 H 1 7.0760 0.0000 . 2 . . . . A 6 GLN HE21 . 30263 1
39 . 1 . 1 6 6 GLN CA C 13 58.7100 0.0000 . 1 . . . . A 6 GLN CA . 30263 1
40 . 1 . 1 7 7 ILE H H 1 8.2660 0.0000 . 1 . . . . A 7 ILE H . 30263 1
41 . 1 . 1 7 7 ILE HA H 1 3.7070 0.0000 . 1 . . . . A 7 ILE HA . 30263 1
42 . 1 . 1 7 7 ILE HB H 1 2.0700 0.0000 . 1 . . . . A 7 ILE HB . 30263 1
43 . 1 . 1 7 7 ILE HG12 H 1 1.4650 0.0000 . 1 . . . . A 7 ILE HG12 . 30263 1
44 . 1 . 1 7 7 ILE HG21 H 1 0.9250 0.0000 . 1 . . . . A 7 ILE HG21 . 30263 1
45 . 1 . 1 7 7 ILE HG22 H 1 0.9250 0.0000 . 1 . . . . A 7 ILE HG22 . 30263 1
46 . 1 . 1 7 7 ILE HG23 H 1 0.9250 0.0000 . 1 . . . . A 7 ILE HG23 . 30263 1
47 . 1 . 1 7 7 ILE CA C 13 65.2660 0.0000 . 1 . . . . A 7 ILE CA . 30263 1
48 . 1 . 1 8 8 GLU H H 1 8.4090 0.0000 . 1 . . . . A 8 GLU H . 30263 1
49 . 1 . 1 8 8 GLU HA H 1 3.8440 0.0000 . 1 . . . . A 8 GLU HA . 30263 1
50 . 1 . 1 8 8 GLU HB2 H 1 2.3450 0.0000 . 1 . . . . A 8 GLU HB2 . 30263 1
51 . 1 . 1 8 8 GLU HG2 H 1 2.6900 0.0000 . 1 . . . . A 8 GLU HG2 . 30263 1
52 . 1 . 1 8 8 GLU CA C 13 59.7500 0.0000 . 1 . . . . A 8 GLU CA . 30263 1
53 . 1 . 1 9 9 GLN H H 1 8.0690 0.0000 . 1 . . . . A 9 GLN H . 30263 1
54 . 1 . 1 9 9 GLN HA H 1 4.2040 0.0000 . 1 . . . . A 9 GLN HA . 30263 1
55 . 1 . 1 9 9 GLN HB2 H 1 2.3400 0.0000 . 2 . . . . A 9 GLN HB2 . 30263 1
56 . 1 . 1 9 9 GLN HG2 H 1 2.5200 0.0000 . 2 . . . . A 9 GLN HG2 . 30263 1
57 . 1 . 1 9 9 GLN HE21 H 1 6.7050 0.0000 . 1 . . . . A 9 GLN HE21 . 30263 1
58 . 1 . 1 9 9 GLN HE22 H 1 7.3250 0.0000 . 1 . . . . A 9 GLN HE22 . 30263 1
59 . 1 . 1 9 9 GLN CA C 13 56.4150 0.0000 . 1 . . . . A 9 GLN CA . 30263 1
60 . 1 . 1 10 10 ALA H H 1 8.1510 0.0000 . 1 . . . . A 10 ALA H . 30263 1
61 . 1 . 1 10 10 ALA HA H 1 4.2140 0.0000 . 1 . . . . A 10 ALA HA . 30263 1
62 . 1 . 1 10 10 ALA HB1 H 1 1.5820 0.0000 . 1 . . . . A 10 ALA HB1 . 30263 1
63 . 1 . 1 10 10 ALA HB2 H 1 1.5820 0.0000 . 1 . . . . A 10 ALA HB2 . 30263 1
64 . 1 . 1 10 10 ALA HB3 H 1 1.5820 0.0000 . 1 . . . . A 10 ALA HB3 . 30263 1
65 . 1 . 1 10 10 ALA CA C 13 56.3490 0.0000 . 1 . . . . A 10 ALA CA . 30263 1
66 . 1 . 1 11 11 LEU H H 1 8.2700 0.0000 . 1 . . . . A 11 LEU H . 30263 1
67 . 1 . 1 11 11 LEU HA H 1 4.1540 0.0000 . 1 . . . . A 11 LEU HA . 30263 1
68 . 1 . 1 11 11 LEU HB2 H 1 1.9780 0.0000 . 1 . . . . A 11 LEU HB2 . 30263 1
69 . 1 . 1 11 11 LEU HD11 H 1 0.8800 0.0000 . 2 . . . . A 11 LEU HD11 . 30263 1
70 . 1 . 1 11 11 LEU HD12 H 1 0.8800 0.0000 . 2 . . . . A 11 LEU HD12 . 30263 1
71 . 1 . 1 11 11 LEU HD13 H 1 0.8800 0.0000 . 2 . . . . A 11 LEU HD13 . 30263 1
72 . 1 . 1 11 11 LEU HD21 H 1 0.8800 0.0000 . 2 . . . . A 11 LEU HD21 . 30263 1
73 . 1 . 1 11 11 LEU HD22 H 1 0.8800 0.0000 . 2 . . . . A 11 LEU HD22 . 30263 1
74 . 1 . 1 11 11 LEU HD23 H 1 0.8800 0.0000 . 2 . . . . A 11 LEU HD23 . 30263 1
75 . 1 . 1 11 11 LEU CA C 13 57.6920 0.0000 . 1 . . . . A 11 LEU CA . 30263 1
76 . 1 . 1 12 12 ARG H H 1 8.1180 0.0000 . 1 . . . . A 12 ARG H . 30263 1
77 . 1 . 1 12 12 ARG HA H 1 4.0290 0.0000 . 1 . . . . A 12 ARG HA . 30263 1
78 . 1 . 1 12 12 ARG HB2 H 1 1.8590 0.0000 . 1 . . . . A 12 ARG HB2 . 30263 1
79 . 1 . 1 12 12 ARG HG2 H 1 1.5720 0.0000 . 1 . . . . A 12 ARG HG2 . 30263 1
80 . 1 . 1 12 12 ARG HD2 H 1 3.2390 0.0000 . 1 . . . . A 12 ARG HD2 . 30263 1
81 . 1 . 1 12 12 ARG CA C 13 58.5200 0.0000 . 1 . . . . A 12 ARG CA . 30263 1
82 . 1 . 1 13 13 TYR H H 1 8.0930 0.0000 . 1 . . . . A 13 TYR H . 30263 1
83 . 1 . 1 13 13 TYR HA H 1 4.3640 0.0000 . 1 . . . . A 13 TYR HA . 30263 1
84 . 1 . 1 13 13 TYR HB2 H 1 3.2380 0.0000 . 1 . . . . A 13 TYR HB2 . 30263 1
85 . 1 . 1 13 13 TYR HD2 H 1 7.1220 0.0000 . 1 . . . . A 13 TYR HD2 . 30263 1
86 . 1 . 1 13 13 TYR HE1 H 1 6.8100 0.0000 . 1 . . . . A 13 TYR HE1 . 30263 1
87 . 1 . 1 13 13 TYR CA C 13 59.1490 0.0000 . 1 . . . . A 13 TYR CA . 30263 1
88 . 1 . 1 14 14 GLY H H 1 8.5510 0.0000 . 1 . . . . A 14 GLY H . 30263 1
89 . 1 . 1 14 14 GLY HA2 H 1 3.7880 0.0000 . 1 . . . . A 14 GLY HA2 . 30263 1
90 . 1 . 1 14 14 GLY CA C 13 46.7300 0.0000 . 1 . . . . A 14 GLY CA . 30263 1
91 . 1 . 1 15 15 TYR H H 1 8.4210 0.0000 . 1 . . . . A 15 TYR H . 30263 1
92 . 1 . 1 15 15 TYR HA H 1 4.2130 0.0000 . 1 . . . . A 15 TYR HA . 30263 1
93 . 1 . 1 15 15 TYR HB2 H 1 3.0670 0.0000 . 1 . . . . A 15 TYR HB2 . 30263 1
94 . 1 . 1 15 15 TYR HD1 H 1 7.0260 0.0000 . 1 . . . . A 15 TYR HD1 . 30263 1
95 . 1 . 1 15 15 TYR HE1 H 1 6.7840 0.0000 . 1 . . . . A 15 TYR HE1 . 30263 1
96 . 1 . 1 15 15 TYR CA C 13 59.3650 0.0000 . 1 . . . . A 15 TYR CA . 30263 1
97 . 1 . 1 16 16 ARG H H 1 7.6600 0.0000 . 1 . . . . A 16 ARG H . 30263 1
98 . 1 . 1 16 16 ARG HA H 1 4.2780 0.0000 . 1 . . . . A 16 ARG HA . 30263 1
99 . 1 . 1 16 16 ARG HB2 H 1 2.1900 0.0000 . 1 . . . . A 16 ARG HB2 . 30263 1
100 . 1 . 1 16 16 ARG HG2 H 1 1.6900 0.0000 . 1 . . . . A 16 ARG HG2 . 30263 1
101 . 1 . 1 16 16 ARG HD2 H 1 3.0480 0.0000 . 1 . . . . A 16 ARG HD2 . 30263 1
102 . 1 . 1 16 16 ARG CA C 13 55.9150 0.0000 . 1 . . . . A 16 ARG CA . 30263 1
103 . 1 . 1 17 17 ILE H H 1 7.9840 0.0000 . 1 . . . . A 17 ILE H . 30263 1
104 . 1 . 1 17 17 ILE HA H 1 4.0540 0.0000 . 1 . . . . A 17 ILE HA . 30263 1
105 . 1 . 1 17 17 ILE HB H 1 1.9200 0.0000 . 1 . . . . A 17 ILE HB . 30263 1
106 . 1 . 1 17 17 ILE HG21 H 1 0.8500 0.0000 . 1 . . . . A 17 ILE HG21 . 30263 1
107 . 1 . 1 17 17 ILE HG22 H 1 0.8500 0.0000 . 1 . . . . A 17 ILE HG22 . 30263 1
108 . 1 . 1 17 17 ILE HG23 H 1 0.8500 0.0000 . 1 . . . . A 17 ILE HG23 . 30263 1
109 . 1 . 1 17 17 ILE HD11 H 1 0.8200 0.0000 . 1 . . . . A 17 ILE HD11 . 30263 1
110 . 1 . 1 17 17 ILE HD12 H 1 0.8200 0.0000 . 1 . . . . A 17 ILE HD12 . 30263 1
111 . 1 . 1 17 17 ILE HD13 H 1 0.8200 0.0000 . 1 . . . . A 17 ILE HD13 . 30263 1
112 . 1 . 1 17 17 ILE CA C 13 58.6180 0.0000 . 1 . . . . A 17 ILE CA . 30263 1
113 . 1 . 1 18 18 SER H H 1 7.8100 0.0000 . 1 . . . . A 18 SER H . 30263 1
114 . 1 . 1 18 18 SER HA H 1 4.3640 0.0000 . 1 . . . . A 18 SER HA . 30263 1
115 . 1 . 1 18 18 SER HB2 H 1 3.8870 0.0000 . 1 . . . . A 18 SER HB2 . 30263 1
116 . 1 . 1 18 18 SER CA C 13 56.9630 0.0000 . 1 . . . . A 18 SER CA . 30263 1
117 . 1 . 1 19 19 ARG H H 1 7.7210 0.0000 . 1 . . . . A 19 ARG H . 30263 1
118 . 1 . 1 19 19 ARG HA H 1 4.2800 0.0000 . 1 . . . . A 19 ARG HA . 30263 1
119 . 1 . 1 19 19 ARG HB2 H 1 2.2200 0.0000 . 1 . . . . A 19 ARG HB2 . 30263 1
120 . 1 . 1 19 19 ARG HG2 H 1 1.6300 0.0000 . 1 . . . . A 19 ARG HG2 . 30263 1
121 . 1 . 1 19 19 ARG HD2 H 1 3.0770 0.0000 . 1 . . . . A 19 ARG HD2 . 30263 1
122 . 1 . 1 19 19 ARG CA C 13 55.9020 0.0000 . 1 . . . . A 19 ARG CA . 30263 1
123 . 1 . 1 20 20 ARG HA H 1 4.2140 0.0000 . 1 . . . . A 20 ARG HA . 30263 1
124 . 1 . 1 20 20 ARG HB2 H 1 1.9100 0.0000 . 1 . . . . A 20 ARG HB2 . 30263 1
125 . 1 . 1 20 20 ARG HG2 H 1 1.6900 0.0000 . 1 . . . . A 20 ARG HG2 . 30263 1
126 . 1 . 1 20 20 ARG HD2 H 1 3.2000 0.0000 . 1 . . . . A 20 ARG HD2 . 30263 1
127 . 1 . 1 20 20 ARG CA C 13 55.1200 0.0000 . 1 . . . . A 20 ARG CA . 30263 1
128 . 1 . 1 21 21 NH2 HN1 H 1 7.8510 0.0000 . 1 . . . . A 21 NH2 HN1 . 30263 1
stop_
save_