Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 25394
_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 $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 '3D 1H-13C NOESY' . . . 25394 1
stop_
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 . 2 2 1 1 PHQ HB2 H 1 4.78578 0.0 . 2 . . . . 1 CBZ HB2 . 25394 1
2 . 2 2 1 1 PHQ HD1 H 1 7.107115 0.0 . 3 . . . . 1 CBZ HD1 . 25394 1
3 . 2 2 1 1 PHQ HE1 H 1 7.136735 0.0 . 3 . . . . 1 CBZ HE1 . 25394 1
4 . 2 2 2 2 TRP H H 1 6.98018 0.0 . 1 . . . . 2 TRP H . 25394 1
5 . 2 2 2 2 TRP HA H 1 4.35909 0.0 . 1 . . . . 2 TRP HA . 25394 1
6 . 2 2 2 2 TRP HB2 H 1 3.150195 0.0 . 2 . . . . 2 TRP HB2 . 25394 1
7 . 2 2 2 2 TRP HD1 H 1 7.18582 0.0 . 1 . . . . 2 TRP HD1 . 25394 1
8 . 2 2 2 2 TRP HE3 H 1 7.45886 0.0 . 1 . . . . 2 TRP HE3 . 25394 1
9 . 2 2 2 2 TRP HZ2 H 1 7.31395 0.0 . 1 . . . . 2 TRP HZ2 . 25394 1
10 . 2 2 2 2 TRP HZ3 H 1 7.03466 0.0 . 1 . . . . 2 TRP HZ3 . 25394 1
11 . 2 2 2 2 TRP HH2 H 1 6.9638975 0.0 . 1 . . . . 2 TRP HH2 . 25394 1
12 . 2 2 3 3 VAL H H 1 7.4241 0.0 . 1 . . . . 3 VAL H . 25394 1
13 . 2 2 3 3 VAL HB H 1 1.87134666667 0.0 . 1 . . . . 3 VAL HB . 25394 1
14 . 2 2 3 3 VAL HG11 H 1 0.659175 0.0 . 2 . . . . 3 VAL HG11 . 25394 1
15 . 2 2 3 3 VAL HG12 H 1 0.659175 0.0 . 2 . . . . 3 VAL HG12 . 25394 1
16 . 2 2 3 3 VAL HG13 H 1 0.659175 0.0 . 2 . . . . 3 VAL HG13 . 25394 1
17 . 2 2 3 3 VAL HG21 H 1 0.873865185185 0.0 . 2 . . . . 3 VAL HG21 . 25394 1
18 . 2 2 3 3 VAL HG22 H 1 0.873865185185 0.0 . 2 . . . . 3 VAL HG22 . 25394 1
19 . 2 2 3 3 VAL HG23 H 1 0.873865185185 0.0 . 2 . . . . 3 VAL HG23 . 25394 1
20 . 1 1 9 9 MET HE1 H 1 1.60284 0.0 . 1 . . . A 256 MET HE1 . 25394 1
21 . 1 1 9 9 MET HE2 H 1 1.60284 0.0 . 1 . . . A 256 MET HE2 . 25394 1
22 . 1 1 9 9 MET HE3 H 1 1.60284 0.0 . 1 . . . A 256 MET HE3 . 25394 1
23 . 1 1 9 9 MET CE C 13 12.43449 0.0 . 1 . . . A 256 MET CE . 25394 1
24 . 1 1 15 15 LEU HB2 H 1 1.38502 0.0 . 2 . . . A 262 LEU HB2 . 25394 1
25 . 1 1 15 15 LEU CB C 13 39.4291 0.0 . 1 . . . A 262 LEU CB . 25394 1
26 . 1 1 17 17 ILE HD11 H 1 0.40567 0.0 . 1 . . . A 264 ILE HD11 . 25394 1
27 . 1 1 17 17 ILE HD12 H 1 0.40567 0.0 . 1 . . . A 264 ILE HD12 . 25394 1
28 . 1 1 17 17 ILE HD13 H 1 0.40567 0.0 . 1 . . . A 264 ILE HD13 . 25394 1
29 . 1 1 17 17 ILE CD1 C 13 10.03581 0.0 . 1 . . . A 264 ILE CD1 . 25394 1
30 . 1 1 19 19 ILE HG12 H 1 1.28878 0.0 . 2 . . . A 266 ILE HG12 . 25394 1
31 . 1 1 19 19 ILE HG21 H 1 0.50312 0.0 . 1 . . . A 266 ILE HG21 . 25394 1
32 . 1 1 19 19 ILE HG22 H 1 0.50312 0.0 . 1 . . . A 266 ILE HG22 . 25394 1
33 . 1 1 19 19 ILE HG23 H 1 0.50312 0.0 . 1 . . . A 266 ILE HG23 . 25394 1
34 . 1 1 19 19 ILE HD11 H 1 0.3450075 0.0 . 1 . . . A 266 ILE HD11 . 25394 1
35 . 1 1 19 19 ILE HD12 H 1 0.3450075 0.0 . 1 . . . A 266 ILE HD12 . 25394 1
36 . 1 1 19 19 ILE HD13 H 1 0.3450075 0.0 . 1 . . . A 266 ILE HD13 . 25394 1
37 . 1 1 19 19 ILE CG1 C 13 20.0145033333 0.0 . 1 . . . A 266 ILE CG1 . 25394 1
38 . 1 1 19 19 ILE CG2 C 13 15.65883 0.0 . 1 . . . A 266 ILE CG2 . 25394 1
39 . 1 1 19 19 ILE CD1 C 13 9.0716675 0.0 . 1 . . . A 266 ILE CD1 . 25394 1
40 . 1 1 31 31 ILE HG21 H 1 0.51146 0.0 . 1 . . . A 278 ILE HG21 . 25394 1
41 . 1 1 31 31 ILE HG22 H 1 0.51146 0.0 . 1 . . . A 278 ILE HG22 . 25394 1
42 . 1 1 31 31 ILE HG23 H 1 0.51146 0.0 . 1 . . . A 278 ILE HG23 . 25394 1
43 . 1 1 31 31 ILE CG2 C 13 16.628805 0.0 . 1 . . . A 278 ILE CG2 . 25394 1
44 . 1 1 37 37 MET HB2 H 1 1.68980666667 0.0 . 2 . . . A 284 MET HB2 . 25394 1
45 . 1 1 37 37 MET HE1 H 1 1.167791 0.0 . 1 . . . A 284 MET HE1 . 25394 1
46 . 1 1 37 37 MET HE2 H 1 1.167791 0.0 . 1 . . . A 284 MET HE2 . 25394 1
47 . 1 1 37 37 MET HE3 H 1 1.167791 0.0 . 1 . . . A 284 MET HE3 . 25394 1
48 . 1 1 37 37 MET CB C 13 32.2002333333 0.0 . 1 . . . A 284 MET CB . 25394 1
49 . 1 1 37 37 MET CE C 13 13.838176 0.0 . 1 . . . A 284 MET CE . 25394 1
50 . 1 1 42 42 VAL HA H 1 3.26384 0.0 . 1 . . . A 289 VAL HA . 25394 1
51 . 1 1 42 42 VAL HB H 1 1.81024 0.0 . 1 . . . A 289 VAL HB . 25394 1
52 . 1 1 42 42 VAL CA C 13 24.08885 0.0 . 1 . . . A 289 VAL CA . 25394 1
53 . 1 1 42 42 VAL CB C 13 28.93541 0.0 . 1 . . . A 289 VAL CB . 25394 1
54 . 1 1 43 43 ALA HB1 H 1 1.29119 0.0 . 1 . . . A 290 ALA HB1 . 25394 1
55 . 1 1 43 43 ALA HB2 H 1 1.29119 0.0 . 1 . . . A 290 ALA HB2 . 25394 1
56 . 1 1 43 43 ALA HB3 H 1 1.29119 0.0 . 1 . . . A 290 ALA HB3 . 25394 1
57 . 1 1 43 43 ALA CB C 13 15.97122 0.0 . 1 . . . A 290 ALA CB . 25394 1
58 . 1 1 70 70 ALA HB1 H 1 1.083985 0.0 . 1 . . . A 317 ALA HB1 . 25394 1
59 . 1 1 70 70 ALA HB2 H 1 1.083985 0.0 . 1 . . . A 317 ALA HB2 . 25394 1
60 . 1 1 70 70 ALA HB3 H 1 1.083985 0.0 . 1 . . . A 317 ALA HB3 . 25394 1
61 . 1 1 70 70 ALA CB C 13 16.28361 0.0 . 1 . . . A 317 ALA CB . 25394 1
62 . 1 1 71 71 VAL HB H 1 2.05147 0.0 . 1 . . . A 318 VAL HB . 25394 1
63 . 1 1 71 71 VAL HG11 H 1 0.98104 0.0 . 2 . . . A 318 VAL HG11 . 25394 1
64 . 1 1 71 71 VAL HG12 H 1 0.98104 0.0 . 2 . . . A 318 VAL HG12 . 25394 1
65 . 1 1 71 71 VAL HG13 H 1 0.98104 0.0 . 2 . . . A 318 VAL HG13 . 25394 1
66 . 1 1 71 71 VAL HG21 H 1 0.99332 0.0 . 2 . . . A 318 VAL HG21 . 25394 1
67 . 1 1 71 71 VAL HG22 H 1 0.99332 0.0 . 2 . . . A 318 VAL HG22 . 25394 1
68 . 1 1 71 71 VAL HG23 H 1 0.99332 0.0 . 2 . . . A 318 VAL HG23 . 25394 1
69 . 1 1 71 71 VAL CB C 13 28.72048 0.0 . 1 . . . A 318 VAL CB . 25394 1
70 . 1 1 71 71 VAL CG1 C 13 19.41168 0.0 . 2 . . . A 318 VAL CG1 . 25394 1
71 . 1 1 71 71 VAL CG2 C 13 20.965475 0.0 . 2 . . . A 318 VAL CG2 . 25394 1
72 . 1 1 74 74 LEU HB2 H 1 1.10885 0.0 . 2 . . . A 321 LEU HB2 . 25394 1
73 . 1 1 74 74 LEU HG H 1 1.67262 0.0 . 1 . . . A 321 LEU HG . 25394 1
74 . 1 1 74 74 LEU CB C 13 38.842735 0.0 . 1 . . . A 321 LEU CB . 25394 1
75 . 1 1 74 74 LEU CG C 13 30.96595 0.0 . 1 . . . A 321 LEU CG . 25394 1
76 . 1 1 75 75 ARG HB2 H 1 1.77513 0.0 . 2 . . . A 322 ARG HB2 . 25394 1
77 . 1 1 75 75 ARG HG2 H 1 1.66033 0.0 . 2 . . . A 322 ARG HG2 . 25394 1
78 . 1 1 75 75 ARG HD2 H 1 2.77295 0.0 . 2 . . . A 322 ARG HD2 . 25394 1
79 . 1 1 75 75 ARG CB C 13 27.209345 0.0 . 1 . . . A 322 ARG CB . 25394 1
80 . 1 1 75 75 ARG CG C 13 24.791605 0.0 . 1 . . . A 322 ARG CG . 25394 1
81 . 1 1 75 75 ARG CD C 13 40.998685 0.0 . 1 . . . A 322 ARG CD . 25394 1
82 . 1 1 77 77 ILE HB H 1 1.61825 0.0 . 1 . . . A 324 ILE HB . 25394 1
83 . 1 1 77 77 ILE CB C 13 35.808 0.0 . 1 . . . A 324 ILE CB . 25394 1
84 . 1 1 78 78 VAL HB H 1 15.443985 0.0 . 1 . . . A 325 VAL HB . 25394 1
85 . 1 1 78 78 VAL HG21 H 1 1.11029 0.0 . 2 . . . A 325 VAL HG21 . 25394 1
86 . 1 1 78 78 VAL HG22 H 1 1.11029 0.0 . 2 . . . A 325 VAL HG22 . 25394 1
87 . 1 1 78 78 VAL HG23 H 1 1.11029 0.0 . 2 . . . A 325 VAL HG23 . 25394 1
88 . 1 1 78 78 VAL CB C 13 15.597025 0.0 . 1 . . . A 325 VAL CB . 25394 1
89 . 1 1 78 78 VAL CG2 C 13 19.25132 0.0 . 2 . . . A 325 VAL CG2 . 25394 1
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save_