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 30106
_Assigned_chem_shift_list.ID 1
_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' . . . 30106 1
2 '2D 1H-1H NOESY' . . . 30106 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $software_3 . . 30106 1
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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.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 2 2 GLU H H 1 8.5314 0.0000 . 1 . . . A 2 GLU H . 30106 1
2 . 1 1 2 2 GLU HA H 1 4.1186 0.0000 . 1 . . . A 2 GLU HA . 30106 1
3 . 1 1 2 2 GLU HB2 H 1 2.0538 0.0000 . 2 . . . A 2 GLU HB2 . 30106 1
4 . 1 1 2 2 GLU HG2 H 1 2.4168 0.0000 . 2 . . . A 2 GLU HG2 . 30106 1
5 . 1 1 3 3 PHE H H 1 7.6889 0.0000 . 1 . . . A 3 PHE H . 30106 1
6 . 1 1 3 3 PHE HA H 1 4.3954 0.0000 . 1 . . . A 3 PHE HA . 30106 1
7 . 1 1 3 3 PHE HB2 H 1 3.2217 0.0000 . 2 . . . A 3 PHE HB2 . 30106 1
8 . 1 1 3 3 PHE HD1 H 1 7.2483 0.0000 . 3 . . . A 3 PHE HD1 . 30106 1
9 . 1 1 4 4 VAL H H 1 7.5342 0.0000 . 1 . . . A 4 VAL H . 30106 1
10 . 1 1 4 4 VAL HA H 1 3.5928 0.0000 . 1 . . . A 4 VAL HA . 30106 1
11 . 1 1 4 4 VAL HB H 1 2.1441 0.0000 . 1 . . . A 4 VAL HB . 30106 1
12 . 1 1 4 4 VAL HG21 H 1 0.9089 0.0000 . 2 . . . A 4 VAL HG21 . 30106 1
13 . 1 1 4 4 VAL HG22 H 1 0.9089 0.0000 . 2 . . . A 4 VAL HG22 . 30106 1
14 . 1 1 4 4 VAL HG23 H 1 0.9089 0.0000 . 2 . . . A 4 VAL HG23 . 30106 1
15 . 1 1 5 5 ALA H H 1 8.0207 0.0000 . 1 . . . A 5 ALA H . 30106 1
16 . 1 1 5 5 ALA HA H 1 4.1239 0.0000 . 1 . . . A 5 ALA HA . 30106 1
17 . 1 1 5 5 ALA HB1 H 1 1.5214 0.0000 . 1 . . . A 5 ALA HB1 . 30106 1
18 . 1 1 5 5 ALA HB2 H 1 1.5214 0.0000 . 1 . . . A 5 ALA HB2 . 30106 1
19 . 1 1 5 5 ALA HB3 H 1 1.5214 0.0000 . 1 . . . A 5 ALA HB3 . 30106 1
20 . 1 1 6 6 LYS H H 1 7.6544 0.0000 . 1 . . . A 6 LYS H . 30106 1
21 . 1 1 6 6 LYS HA H 1 4.0562 0.0000 . 1 . . . A 6 LYS HA . 30106 1
22 . 1 1 6 6 LYS HB2 H 1 2.0066 0.0000 . 2 . . . A 6 LYS HB2 . 30106 1
23 . 1 1 6 6 LYS HB3 H 1 1.9303 0.0000 . 2 . . . A 6 LYS HB3 . 30106 1
24 . 1 1 6 6 LYS HG2 H 1 1.4723 0.0000 . 2 . . . A 6 LYS HG2 . 30106 1
25 . 1 1 6 6 LYS HD2 H 1 1.7419 0.0000 . 2 . . . A 6 LYS HD2 . 30106 1
26 . 1 1 6 6 LYS HD3 H 1 1.7030 0.0000 . 2 . . . A 6 LYS HD3 . 30106 1
27 . 1 1 6 6 LYS HE2 H 1 3.0106 0.0000 . 2 . . . A 6 LYS HE2 . 30106 1
28 . 1 1 7 7 LEU H H 1 7.9219 0.0000 . 1 . . . A 7 LEU H . 30106 1
29 . 1 1 7 7 LEU HA H 1 4.1295 0.0000 . 1 . . . A 7 LEU HA . 30106 1
30 . 1 1 7 7 LEU HB2 H 1 1.6911 0.0000 . 2 . . . A 7 LEU HB2 . 30106 1
31 . 1 1 7 7 LEU HG H 1 1.5704 0.0000 . 1 . . . A 7 LEU HG . 30106 1
32 . 1 1 7 7 LEU HD21 H 1 0.8588 0.0000 . 2 . . . A 7 LEU HD21 . 30106 1
33 . 1 1 7 7 LEU HD22 H 1 0.8588 0.0000 . 2 . . . A 7 LEU HD22 . 30106 1
34 . 1 1 7 7 LEU HD23 H 1 0.8588 0.0000 . 2 . . . A 7 LEU HD23 . 30106 1
35 . 1 1 8 8 PHE H H 1 8.5654 0.0000 . 1 . . . A 8 PHE H . 30106 1
36 . 1 1 8 8 PHE HA H 1 4.4464 0.0000 . 1 . . . A 8 PHE HA . 30106 1
37 . 1 1 8 8 PHE HB2 H 1 3.2900 0.0000 . 2 . . . A 8 PHE HB2 . 30106 1
38 . 1 1 8 8 PHE HB3 H 1 3.2259 0.0000 . 2 . . . A 8 PHE HB3 . 30106 1
39 . 1 1 8 8 PHE HD1 H 1 7.3033 0.0000 . 3 . . . A 8 PHE HD1 . 30106 1
40 . 1 1 8 8 PHE HD2 H 1 7.3024 0.0000 . 3 . . . A 8 PHE HD2 . 30106 1
41 . 1 1 8 8 PHE HE2 H 1 7.2679 0.0000 . 3 . . . A 8 PHE HE2 . 30106 1
42 . 1 1 9 9 LYS H H 1 8.0413 0.0000 . 1 . . . A 9 LYS H . 30106 1
43 . 1 1 9 9 LYS HA H 1 3.9800 0.0000 . 1 . . . A 9 LYS HA . 30106 1
44 . 1 1 9 9 LYS HB2 H 1 2.0469 0.0000 . 2 . . . A 9 LYS HB2 . 30106 1
45 . 1 1 9 9 LYS HG2 H 1 1.6180 0.0000 . 2 . . . A 9 LYS HG2 . 30106 1
46 . 1 1 9 9 LYS HG3 H 1 1.5246 0.0000 . 2 . . . A 9 LYS HG3 . 30106 1
47 . 1 1 9 9 LYS HD2 H 1 1.8081 0.0000 . 2 . . . A 9 LYS HD2 . 30106 1
48 . 1 1 9 9 LYS HD3 H 1 1.7266 0.0000 . 2 . . . A 9 LYS HD3 . 30106 1
49 . 1 1 9 9 LYS HE2 H 1 3.0730 0.0000 . 2 . . . A 9 LYS HE2 . 30106 1
50 . 1 1 10 10 PHE H H 1 8.0727 0.0000 . 1 . . . A 10 PHE H . 30106 1
51 . 1 1 10 10 PHE HA H 1 4.3670 0.0000 . 1 . . . A 10 PHE HA . 30106 1
52 . 1 1 10 10 PHE HB2 H 1 3.3102 0.0000 . 2 . . . A 10 PHE HB2 . 30106 1
53 . 1 1 10 10 PHE HB3 H 1 3.2200 0.0000 . 2 . . . A 10 PHE HB3 . 30106 1
54 . 1 1 10 10 PHE HD1 H 1 7.0090 0.0000 . 3 . . . A 10 PHE HD1 . 30106 1
55 . 1 1 10 10 PHE HE1 H 1 7.2021 0.0000 . 3 . . . A 10 PHE HE1 . 30106 1
56 . 1 1 10 10 PHE HZ H 1 7.2211 0.0000 . 1 . . . A 10 PHE HZ . 30106 1
57 . 1 1 11 11 PHE H H 1 8.5800 0.0000 . 1 . . . A 11 PHE H . 30106 1
58 . 1 1 11 11 PHE HA H 1 4.2358 0.0000 . 1 . . . A 11 PHE HA . 30106 1
59 . 1 1 11 11 PHE HB2 H 1 3.1815 0.0000 . 2 . . . A 11 PHE HB2 . 30106 1
60 . 1 1 11 11 PHE HD1 H 1 7.2595 0.0000 . 3 . . . A 11 PHE HD1 . 30106 1
61 . 1 1 11 11 PHE HE1 H 1 7.3346 0.0000 . 3 . . . A 11 PHE HE1 . 30106 1
62 . 1 1 12 12 LYS H H 1 8.4519 0.0000 . 1 . . . A 12 LYS H . 30106 1
63 . 1 1 12 12 LYS HA H 1 3.9069 0.0000 . 1 . . . A 12 LYS HA . 30106 1
64 . 1 1 12 12 LYS HB2 H 1 1.8584 0.0000 . 2 . . . A 12 LYS HB2 . 30106 1
65 . 1 1 12 12 LYS HG2 H 1 1.4765 0.0000 . 2 . . . A 12 LYS HG2 . 30106 1
66 . 1 1 12 12 LYS HG3 H 1 1.4758 0.0000 . 2 . . . A 12 LYS HG3 . 30106 1
67 . 1 1 12 12 LYS HD2 H 1 1.6748 0.0000 . 2 . . . A 12 LYS HD2 . 30106 1
68 . 1 1 12 12 LYS HE2 H 1 2.9820 0.0000 . 2 . . . A 12 LYS HE2 . 30106 1
69 . 1 1 13 13 ASP H H 1 8.2473 0.0000 . 1 . . . A 13 ASP H . 30106 1
70 . 1 1 13 13 ASP HA H 1 4.4729 0.0000 . 1 . . . A 13 ASP HA . 30106 1
71 . 1 1 13 13 ASP HB2 H 1 3.0287 0.0000 . 2 . . . A 13 ASP HB2 . 30106 1
72 . 1 1 13 13 ASP HB3 H 1 2.7342 0.0000 . 2 . . . A 13 ASP HB3 . 30106 1
73 . 1 1 14 14 LEU H H 1 8.0871 0.0000 . 1 . . . A 14 LEU H . 30106 1
74 . 1 1 14 14 LEU HA H 1 3.9970 0.0000 . 1 . . . A 14 LEU HA . 30106 1
75 . 1 1 14 14 LEU HB2 H 1 1.6034 0.0000 . 2 . . . A 14 LEU HB2 . 30106 1
76 . 1 1 14 14 LEU HG H 1 1.4602 0.0000 . 1 . . . A 14 LEU HG . 30106 1
77 . 1 1 14 14 LEU HD21 H 1 0.8290 0.0000 . 2 . . . A 14 LEU HD21 . 30106 1
78 . 1 1 14 14 LEU HD22 H 1 0.8290 0.0000 . 2 . . . A 14 LEU HD22 . 30106 1
79 . 1 1 14 14 LEU HD23 H 1 0.8290 0.0000 . 2 . . . A 14 LEU HD23 . 30106 1
80 . 1 1 15 15 LEU H H 1 8.3464 0.0000 . 1 . . . A 15 LEU H . 30106 1
81 . 1 1 15 15 LEU HA H 1 4.1380 0.0000 . 1 . . . A 15 LEU HA . 30106 1
82 . 1 1 15 15 LEU HB2 H 1 1.6016 0.0000 . 2 . . . A 15 LEU HB2 . 30106 1
83 . 1 1 15 15 LEU HG H 1 1.7181 0.0000 . 1 . . . A 15 LEU HG . 30106 1
84 . 1 1 15 15 LEU HD21 H 1 0.8852 0.0000 . 2 . . . A 15 LEU HD21 . 30106 1
85 . 1 1 15 15 LEU HD22 H 1 0.8852 0.0000 . 2 . . . A 15 LEU HD22 . 30106 1
86 . 1 1 15 15 LEU HD23 H 1 0.8852 0.0000 . 2 . . . A 15 LEU HD23 . 30106 1
87 . 1 1 16 16 GLY H H 1 8.0361 0.0000 . 1 . . . A 16 GLY H . 30106 1
88 . 1 1 16 16 GLY HA2 H 1 3.8700 0.0000 . 2 . . . A 16 GLY HA2 . 30106 1
89 . 1 1 16 16 GLY HA3 H 1 3.9200 0.0000 . 2 . . . A 16 GLY HA3 . 30106 1
90 . 1 1 17 17 LYS H H 1 7.7554 0.0000 . 1 . . . A 17 LYS H . 30106 1
91 . 1 1 17 17 LYS HA H 1 4.1852 0.0000 . 1 . . . A 17 LYS HA . 30106 1
92 . 1 1 17 17 LYS HB2 H 1 1.8954 0.0000 . 2 . . . A 17 LYS HB2 . 30106 1
93 . 1 1 17 17 LYS HB3 H 1 1.8311 0.0000 . 2 . . . A 17 LYS HB3 . 30106 1
94 . 1 1 17 17 LYS HG2 H 1 1.4288 0.0000 . 2 . . . A 17 LYS HG2 . 30106 1
95 . 1 1 17 17 LYS HG3 H 1 1.3825 0.0000 . 2 . . . A 17 LYS HG3 . 30106 1
96 . 1 1 17 17 LYS HD2 H 1 1.6414 0.0000 . 2 . . . A 17 LYS HD2 . 30106 1
97 . 1 1 17 17 LYS HE2 H 1 2.9642 0.0000 . 2 . . . A 17 LYS HE2 . 30106 1
98 . 1 1 18 18 PHE H H 1 8.1115 0.0000 . 1 . . . A 18 PHE H . 30106 1
99 . 1 1 18 18 PHE HA H 1 4.5167 0.0000 . 1 . . . A 18 PHE HA . 30106 1
100 . 1 1 18 18 PHE HB2 H 1 3.2776 0.0000 . 2 . . . A 18 PHE HB2 . 30106 1
101 . 1 1 18 18 PHE HB3 H 1 3.1703 0.0000 . 2 . . . A 18 PHE HB3 . 30106 1
102 . 1 1 18 18 PHE HD1 H 1 7.2924 0.0000 . 3 . . . A 18 PHE HD1 . 30106 1
103 . 1 1 19 19 LEU H H 1 8.2678 0.0000 . 1 . . . A 19 LEU H . 30106 1
104 . 1 1 19 19 LEU HA H 1 4.3500 0.0000 . 1 . . . A 19 LEU HA . 30106 1
105 . 1 1 19 19 LEU HB2 H 1 1.8224 0.0000 . 2 . . . A 19 LEU HB2 . 30106 1
106 . 1 1 19 19 LEU HG H 1 1.6491 0.0000 . 1 . . . A 19 LEU HG . 30106 1
107 . 1 1 19 19 LEU HD21 H 1 0.9397 0.0000 . 2 . . . A 19 LEU HD21 . 30106 1
108 . 1 1 19 19 LEU HD22 H 1 0.9397 0.0000 . 2 . . . A 19 LEU HD22 . 30106 1
109 . 1 1 19 19 LEU HD23 H 1 0.9397 0.0000 . 2 . . . A 19 LEU HD23 . 30106 1
110 . 1 1 20 20 GLY H H 1 7.7926 0.0000 . 1 . . . A 20 GLY H . 30106 1
111 . 1 1 20 20 GLY HA2 H 1 3.9888 0.0000 . 2 . . . A 20 GLY HA2 . 30106 1
112 . 1 1 20 20 GLY HA3 H 1 4.0074 0.0000 . 2 . . . A 20 GLY HA3 . 30106 1
113 . 1 1 21 21 ASN H H 1 8.0596 0.0000 . 1 . . . A 21 ASN H . 30106 1
114 . 1 1 21 21 ASN HA H 1 4.8204 0.0000 . 1 . . . A 21 ASN HA . 30106 1
115 . 1 1 21 21 ASN HB2 H 1 2.8726 0.0000 . 2 . . . A 21 ASN HB2 . 30106 1
116 . 1 1 21 21 ASN HB3 H 1 2.7378 0.0000 . 2 . . . A 21 ASN HB3 . 30106 1
117 . 1 1 22 22 ASN H H 1 8.0533 0.0000 . 1 . . . A 22 ASN H . 30106 1
118 . 1 1 22 22 ASN HB2 H 1 2.7736 0.0000 . 2 . . . A 22 ASN HB2 . 30106 1
119 . 1 1 22 22 ASN HB3 H 1 2.8442 0.0000 . 2 . . . A 22 ASN HB3 . 30106 1
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save_