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 30744
_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 NOESY' . . . 30744 1
2 '2D TOCSY' . . . 30744 1
3 '2D 1H-13C HSQC aliphatic' . . . 30744 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 HA2 H 1 3.994 0.0 . 2 . . . . A 1 GLY HA2 . 30744 1
2 . 1 . 1 1 1 GLY CA C 13 43.871 0.0 . 1 . . . . A 1 GLY CA . 30744 1
3 . 1 . 1 2 2 ILE H H 1 8.76425 0.0 . 1 . . . . A 2 ILE H . 30744 1
4 . 1 . 1 2 2 ILE HA H 1 3.9145 0.0 . 1 . . . . A 2 ILE HA . 30744 1
5 . 1 . 1 2 2 ILE HB H 1 1.8905 0.0 . 1 . . . . A 2 ILE HB . 30744 1
6 . 1 . 1 2 2 ILE HG12 H 1 1.307 0.0 . 2 . . . . A 2 ILE HG12 . 30744 1
7 . 1 . 1 2 2 ILE HD11 H 1 0.9635 0.0 . 1 . . . . A 2 ILE HD11 . 30744 1
8 . 1 . 1 2 2 ILE HD12 H 1 0.9635 0.0 . 1 . . . . A 2 ILE HD12 . 30744 1
9 . 1 . 1 2 2 ILE HD13 H 1 0.9635 0.0 . 1 . . . . A 2 ILE HD13 . 30744 1
10 . 1 . 1 2 2 ILE CA C 13 64.393 0.0 . 1 . . . . A 2 ILE CA . 30744 1
11 . 1 . 1 2 2 ILE CB C 13 38.464 0.0 . 1 . . . . A 2 ILE CB . 30744 1
12 . 1 . 1 2 2 ILE CG2 C 13 17.885 0.0 . 1 . . . . A 2 ILE CG2 . 30744 1
13 . 1 . 1 2 2 ILE CD1 C 13 13.983 0.0 . 1 . . . . A 2 ILE CD1 . 30744 1
14 . 1 . 1 2 2 ILE N N 15 119.835 0.0 . 1 . . . . A 2 ILE N . 30744 1
15 . 1 . 1 3 3 LEU H H 1 8.062375 0.0 . 1 . . . . A 3 LEU H . 30744 1
16 . 1 . 1 3 3 LEU HA H 1 4.07036363636 0.0 . 1 . . . . A 3 LEU HA . 30744 1
17 . 1 . 1 3 3 LEU HB2 H 1 1.71725 0.0 . 2 . . . . A 3 LEU HB2 . 30744 1
18 . 1 . 1 3 3 LEU HG H 1 1.346875 0.0 . 1 . . . . A 3 LEU HG . 30744 1
19 . 1 . 1 3 3 LEU HD11 H 1 0.94075 0.0 . 2 . . . . A 3 LEU HD11 . 30744 1
20 . 1 . 1 3 3 LEU HD12 H 1 0.94075 0.0 . 2 . . . . A 3 LEU HD12 . 30744 1
21 . 1 . 1 3 3 LEU HD13 H 1 0.94075 0.0 . 2 . . . . A 3 LEU HD13 . 30744 1
22 . 1 . 1 3 3 LEU HD21 H 1 0.921 0.0 . 2 . . . . A 3 LEU HD21 . 30744 1
23 . 1 . 1 3 3 LEU HD22 H 1 0.921 0.0 . 2 . . . . A 3 LEU HD22 . 30744 1
24 . 1 . 1 3 3 LEU HD23 H 1 0.921 0.0 . 2 . . . . A 3 LEU HD23 . 30744 1
25 . 1 . 1 3 3 LEU CA C 13 58.396 0.0 . 1 . . . . A 3 LEU CA . 30744 1
26 . 1 . 1 3 3 LEU CB C 13 40.9465 0.0 . 1 . . . . A 3 LEU CB . 30744 1
27 . 1 . 1 3 3 LEU CG C 13 27.459 0.0 . 1 . . . . A 3 LEU CG . 30744 1
28 . 1 . 1 3 3 LEU CD1 C 13 24.624 0.0 . 2 . . . . A 3 LEU CD1 . 30744 1
29 . 1 . 1 3 3 LEU CD2 C 13 24.197 0.0 . 2 . . . . A 3 LEU CD2 . 30744 1
30 . 1 . 1 3 3 LEU N N 15 118.913 0.0 . 1 . . . . A 3 LEU N . 30744 1
31 . 1 . 1 4 4 ASP H H 1 7.7815 0.0 . 1 . . . . A 4 ASP H . 30744 1
32 . 1 . 1 4 4 ASP HA H 1 4.317 0.0 . 1 . . . . A 4 ASP HA . 30744 1
33 . 1 . 1 4 4 ASP CA C 13 56.611 0.0 . 1 . . . . A 4 ASP CA . 30744 1
34 . 1 . 1 4 4 ASP CB C 13 38.477 0.0 . 1 . . . . A 4 ASP CB . 30744 1
35 . 1 . 1 4 4 ASP N N 15 120.172 0.0 . 1 . . . . A 4 ASP N . 30744 1
36 . 1 . 1 5 5 ALA H H 1 7.84275 0.0 . 1 . . . . A 5 ALA H . 30744 1
37 . 1 . 1 5 5 ALA HA H 1 4.1915 0.0 . 1 . . . . A 5 ALA HA . 30744 1
38 . 1 . 1 5 5 ALA HB1 H 1 1.51225 0.0 . 1 . . . . A 5 ALA HB1 . 30744 1
39 . 1 . 1 5 5 ALA HB2 H 1 1.51225 0.0 . 1 . . . . A 5 ALA HB2 . 30744 1
40 . 1 . 1 5 5 ALA HB3 H 1 1.51225 0.0 . 1 . . . . A 5 ALA HB3 . 30744 1
41 . 1 . 1 5 5 ALA CA C 13 53.573 0.0 . 1 . . . . A 5 ALA CA . 30744 1
42 . 1 . 1 5 5 ALA CB C 13 18.699 0.0 . 1 . . . . A 5 ALA CB . 30744 1
43 . 1 . 1 5 5 ALA N N 15 120.979 0.0 . 1 . . . . A 5 ALA N . 30744 1
44 . 1 . 1 6 6 ILE H H 1 8.177 0.0 . 1 . . . . A 6 ILE H . 30744 1
45 . 1 . 1 6 6 ILE HA H 1 3.65271428571 0.0 . 1 . . . . A 6 ILE HA . 30744 1
46 . 1 . 1 6 6 ILE HB H 1 2.00816666667 0.0 . 1 . . . . A 6 ILE HB . 30744 1
47 . 1 . 1 6 6 ILE HG12 H 1 1.114 0.0 . 2 . . . . A 6 ILE HG12 . 30744 1
48 . 1 . 1 6 6 ILE HG21 H 1 0.971375 0.0 . 1 . . . . A 6 ILE HG21 . 30744 1
49 . 1 . 1 6 6 ILE HG22 H 1 0.971375 0.0 . 1 . . . . A 6 ILE HG22 . 30744 1
50 . 1 . 1 6 6 ILE HG23 H 1 0.971375 0.0 . 1 . . . . A 6 ILE HG23 . 30744 1
51 . 1 . 1 6 6 ILE HD11 H 1 1.357 0.0 . 1 . . . . A 6 ILE HD11 . 30744 1
52 . 1 . 1 6 6 ILE HD12 H 1 1.357 0.0 . 1 . . . . A 6 ILE HD12 . 30744 1
53 . 1 . 1 6 6 ILE HD13 H 1 1.357 0.0 . 1 . . . . A 6 ILE HD13 . 30744 1
54 . 1 . 1 6 6 ILE CA C 13 65.341 0.0 . 1 . . . . A 6 ILE CA . 30744 1
55 . 1 . 1 6 6 ILE CB C 13 37.857 0.0 . 1 . . . . A 6 ILE CB . 30744 1
56 . 1 . 1 6 6 ILE CG1 C 13 29.222 0.0 . 1 . . . . A 6 ILE CG1 . 30744 1
57 . 1 . 1 6 6 ILE CG2 C 13 17.641 0.0 . 1 . . . . A 6 ILE CG2 . 30744 1
58 . 1 . 1 6 6 ILE CD1 C 13 13.692 0.0 . 1 . . . . A 6 ILE CD1 . 30744 1
59 . 1 . 1 6 6 ILE N N 15 117.946 0.0 . 1 . . . . A 6 ILE N . 30744 1
60 . 1 . 1 7 7 LYS H H 1 8.20175 0.0 . 1 . . . . A 7 LYS H . 30744 1
61 . 1 . 1 7 7 LYS HA H 1 3.849375 0.0 . 1 . . . . A 7 LYS HA . 30744 1
62 . 1 . 1 7 7 LYS HB2 H 1 1.8235 0.0 . 2 . . . . A 7 LYS HB2 . 30744 1
63 . 1 . 1 7 7 LYS HG2 H 1 1.6597 0.0 . 2 . . . . A 7 LYS HG2 . 30744 1
64 . 1 . 1 7 7 LYS HD2 H 1 1.8905 0.0 . 2 . . . . A 7 LYS HD2 . 30744 1
65 . 1 . 1 7 7 LYS HE2 H 1 1.314 0.0 . 2 . . . . A 7 LYS HE2 . 30744 1
66 . 1 . 1 7 7 LYS HZ1 H 1 7.444 0.0 . 1 . . . . A 7 LYS HZ1 . 30744 1
67 . 1 . 1 7 7 LYS HZ2 H 1 7.444 0.0 . 1 . . . . A 7 LYS HZ2 . 30744 1
68 . 1 . 1 7 7 LYS HZ3 H 1 7.444 0.0 . 1 . . . . A 7 LYS HZ3 . 30744 1
69 . 1 . 1 7 7 LYS CA C 13 60.496 0.0 . 1 . . . . A 7 LYS CA . 30744 1
70 . 1 . 1 7 7 LYS CB C 13 32.402 0.0 . 1 . . . . A 7 LYS CB . 30744 1
71 . 1 . 1 7 7 LYS CG C 13 26.19 0.0 . 1 . . . . A 7 LYS CG . 30744 1
72 . 1 . 1 7 7 LYS CD C 13 27.423 0.0 . 1 . . . . A 7 LYS CD . 30744 1
73 . 1 . 1 7 7 LYS CE C 13 42.206 0.0 . 1 . . . . A 7 LYS CE . 30744 1
74 . 1 . 1 7 7 LYS N N 15 119.3045 0.0 . 1 . . . . A 7 LYS N . 30744 1
75 . 1 . 1 8 8 ALA H H 1 7.7475 0.0 . 1 . . . . A 8 ALA H . 30744 1
76 . 1 . 1 8 8 ALA HA H 1 4.10425 0.0 . 1 . . . . A 8 ALA HA . 30744 1
77 . 1 . 1 8 8 ALA HB1 H 1 1.5385 0.0 . 1 . . . . A 8 ALA HB1 . 30744 1
78 . 1 . 1 8 8 ALA HB2 H 1 1.5385 0.0 . 1 . . . . A 8 ALA HB2 . 30744 1
79 . 1 . 1 8 8 ALA HB3 H 1 1.5385 0.0 . 1 . . . . A 8 ALA HB3 . 30744 1
80 . 1 . 1 8 8 ALA CA C 13 55.142 0.0 . 1 . . . . A 8 ALA CA . 30744 1
81 . 1 . 1 8 8 ALA CB C 13 18.267 0.0 . 1 . . . . A 8 ALA CB . 30744 1
82 . 1 . 1 8 8 ALA N N 15 119.284 0.0 . 1 . . . . A 8 ALA N . 30744 1
83 . 1 . 1 9 9 ILE H H 1 8.08633333333 0.0 . 1 . . . . A 9 ILE H . 30744 1
84 . 1 . 1 9 9 ILE HA H 1 3.74185714286 0.0 . 1 . . . . A 9 ILE HA . 30744 1
85 . 1 . 1 9 9 ILE HB H 1 1.8718 0.0 . 1 . . . . A 9 ILE HB . 30744 1
86 . 1 . 1 9 9 ILE HG12 H 1 0.9135 0.0 . 2 . . . . A 9 ILE HG12 . 30744 1
87 . 1 . 1 9 9 ILE HD11 H 1 0.876 0.0 . 1 . . . . A 9 ILE HD11 . 30744 1
88 . 1 . 1 9 9 ILE HD12 H 1 0.876 0.0 . 1 . . . . A 9 ILE HD12 . 30744 1
89 . 1 . 1 9 9 ILE HD13 H 1 0.876 0.0 . 1 . . . . A 9 ILE HD13 . 30744 1
90 . 1 . 1 9 9 ILE CA C 13 64.761 0.0 . 1 . . . . A 9 ILE CA . 30744 1
91 . 1 . 1 9 9 ILE CB C 13 38.317 0.0 . 1 . . . . A 9 ILE CB . 30744 1
92 . 1 . 1 9 9 ILE CD1 C 13 13.025 0.0 . 1 . . . . A 9 ILE CD1 . 30744 1
93 . 1 . 1 9 9 ILE N N 15 117.189 0.0 . 1 . . . . A 9 ILE N . 30744 1
94 . 1 . 1 10 10 ALA H H 1 8.37325 0.0 . 1 . . . . A 10 ALA H . 30744 1
95 . 1 . 1 10 10 ALA HA H 1 3.964 0.0 . 1 . . . . A 10 ALA HA . 30744 1
96 . 1 . 1 10 10 ALA HB1 H 1 1.4555 0.0 . 1 . . . . A 10 ALA HB1 . 30744 1
97 . 1 . 1 10 10 ALA HB2 H 1 1.4555 0.0 . 1 . . . . A 10 ALA HB2 . 30744 1
98 . 1 . 1 10 10 ALA HB3 H 1 1.4555 0.0 . 1 . . . . A 10 ALA HB3 . 30744 1
99 . 1 . 1 10 10 ALA CA C 13 55.231 0.0 . 1 . . . . A 10 ALA CA . 30744 1
100 . 1 . 1 10 10 ALA CB C 13 18.897 0.0 . 1 . . . . A 10 ALA CB . 30744 1
101 . 1 . 1 10 10 ALA N N 15 120.042 0.0 . 1 . . . . A 10 ALA N . 30744 1
102 . 1 . 1 11 11 LYS H H 1 7.9466 0.0 . 1 . . . . A 11 LYS H . 30744 1
103 . 1 . 1 11 11 LYS HA H 1 4.01636363636 0.0 . 1 . . . . A 11 LYS HA . 30744 1
104 . 1 . 1 11 11 LYS HB2 H 1 1.913 0.0 . 2 . . . . A 11 LYS HB2 . 30744 1
105 . 1 . 1 11 11 LYS HG2 H 1 1.50466666667 0.0 . 2 . . . . A 11 LYS HG2 . 30744 1
106 . 1 . 1 11 11 LYS HZ1 H 1 7.522 0.0 . 1 . . . . A 11 LYS HZ1 . 30744 1
107 . 1 . 1 11 11 LYS HZ2 H 1 7.522 0.0 . 1 . . . . A 11 LYS HZ2 . 30744 1
108 . 1 . 1 11 11 LYS HZ3 H 1 7.522 0.0 . 1 . . . . A 11 LYS HZ3 . 30744 1
109 . 1 . 1 11 11 LYS CA C 13 58.684 0.0 . 1 . . . . A 11 LYS CA . 30744 1
110 . 1 . 1 11 11 LYS CB C 13 29.129 0.0 . 1 . . . . A 11 LYS CB . 30744 1
111 . 1 . 1 11 11 LYS CG C 13 25.1565 0.0 . 1 . . . . A 11 LYS CG . 30744 1
112 . 1 . 1 11 11 LYS CD C 13 26.178 0.0 . 1 . . . . A 11 LYS CD . 30744 1
113 . 1 . 1 11 11 LYS N N 15 119.038 0.0 . 1 . . . . A 11 LYS N . 30744 1
114 . 1 . 1 11 11 LYS NZ N 15 120.641 0.0 . 1 . . . . A 11 LYS NZ . 30744 1
115 . 1 . 1 12 12 ALA H H 1 7.80375 0.0 . 1 . . . . A 12 ALA H . 30744 1
116 . 1 . 1 12 12 ALA HA H 1 4.1755 0.0 . 1 . . . . A 12 ALA HA . 30744 1
117 . 1 . 1 12 12 ALA HB1 H 1 1.49475 0.0 . 1 . . . . A 12 ALA HB1 . 30744 1
118 . 1 . 1 12 12 ALA HB2 H 1 1.49475 0.0 . 1 . . . . A 12 ALA HB2 . 30744 1
119 . 1 . 1 12 12 ALA HB3 H 1 1.49475 0.0 . 1 . . . . A 12 ALA HB3 . 30744 1
120 . 1 . 1 12 12 ALA CA C 13 54.035 0.0 . 1 . . . . A 12 ALA CA . 30744 1
121 . 1 . 1 12 12 ALA CB C 13 18.593 0.0 . 1 . . . . A 12 ALA CB . 30744 1
122 . 1 . 1 12 12 ALA N N 15 117.36 0.0 . 1 . . . . A 12 ALA N . 30744 1
123 . 1 . 1 13 13 ALA H H 1 8.051 0.0 . 1 . . . . A 13 ALA H . 30744 1
124 . 1 . 1 13 13 ALA HA H 1 4.22775 0.0 . 1 . . . . A 13 ALA HA . 30744 1
125 . 1 . 1 13 13 ALA HB1 H 1 1.41125 0.0 . 1 . . . . A 13 ALA HB1 . 30744 1
126 . 1 . 1 13 13 ALA HB2 H 1 1.41125 0.0 . 1 . . . . A 13 ALA HB2 . 30744 1
127 . 1 . 1 13 13 ALA HB3 H 1 1.41125 0.0 . 1 . . . . A 13 ALA HB3 . 30744 1
128 . 1 . 1 13 13 ALA CA C 13 55.316 0.0 . 1 . . . . A 13 ALA CA . 30744 1
129 . 1 . 1 13 13 ALA CB C 13 19.104 0.0 . 1 . . . . A 13 ALA CB . 30744 1
130 . 1 . 1 13 13 ALA N N 15 119.217 0.0 . 1 . . . . A 13 ALA N . 30744 1
131 . 1 . 1 14 14 GLY HA2 H 1 3.888 0.0 . 2 . . . . A 14 GLY HA2 . 30744 1
132 . 1 . 1 14 14 GLY CA C 13 45.343 0.0 . 1 . . . . A 14 GLY CA . 30744 1
133 . 1 . 1 14 14 GLY N N 15 111.991 0.0 . 1 . . . . A 14 GLY N . 30744 1
134 . 1 . 1 15 15 NH2 HN1 H 1 7.9265 0.0 . 1 . . . . A 15 NH2 HN1 . 30744 1
stop_
save_