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 34090
_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 'NOESY STRUCTURE a DETERMINATION.' . . . 34090 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 . 1 1 1 1 GLY HA2 H 1 3.855 . . 2 . . . A 1 GLY HA2 . 34090 1
2 . 1 1 1 1 GLY HA3 H 1 3.707 . . 2 . . . A 1 GLY HA3 . 34090 1
3 . 1 1 1 1 GLY CA C 13 43.327 . . 1 . . . A 1 GLY CA . 34090 1
4 . 1 1 2 2 LEU H H 1 8.599 . . 1 . . . A 2 LEU H . 34090 1
5 . 1 1 2 2 LEU HA H 1 3.944 . . 1 . . . A 2 LEU HA . 34090 1
6 . 1 1 2 2 LEU HB2 H 1 1.414 . . 2 . . . A 2 LEU HB2 . 34090 1
7 . 1 1 2 2 LEU HB3 H 1 1.390 . . 2 . . . A 2 LEU HB3 . 34090 1
8 . 1 1 2 2 LEU HG H 1 1.366 . . 1 . . . A 2 LEU HG . 34090 1
9 . 1 1 2 2 LEU HD11 H 1 0.675 . . 2 . . . A 2 LEU HD11 . 34090 1
10 . 1 1 2 2 LEU HD12 H 1 0.675 . . 2 . . . A 2 LEU HD12 . 34090 1
11 . 1 1 2 2 LEU HD13 H 1 0.675 . . 2 . . . A 2 LEU HD13 . 34090 1
12 . 1 1 2 2 LEU HD21 H 1 0.657 . . 2 . . . A 2 LEU HD21 . 34090 1
13 . 1 1 2 2 LEU HD22 H 1 0.657 . . 2 . . . A 2 LEU HD22 . 34090 1
14 . 1 1 2 2 LEU HD23 H 1 0.657 . . 2 . . . A 2 LEU HD23 . 34090 1
15 . 1 1 2 2 LEU CA C 13 58.028 . . 1 . . . A 2 LEU CA . 34090 1
16 . 1 1 2 2 LEU CB C 13 42.181 . . 1 . . . A 2 LEU CB . 34090 1
17 . 1 1 2 2 LEU CG C 13 26.827 . . 1 . . . A 2 LEU CG . 34090 1
18 . 1 1 2 2 LEU CD1 C 13 24.998 . . 1 . . . A 2 LEU CD1 . 34090 1
19 . 1 1 2 2 LEU CD2 C 13 24.108 . . 1 . . . A 2 LEU CD2 . 34090 1
20 . 1 1 3 3 PHE H H 1 8.347 . . 1 . . . A 3 PHE H . 34090 1
21 . 1 1 3 3 PHE HA H 1 4.108 . . 1 . . . A 3 PHE HA . 34090 1
22 . 1 1 3 3 PHE HB2 H 1 3.016 . . 2 . . . A 3 PHE HB2 . 34090 1
23 . 1 1 3 3 PHE HB3 H 1 2.910 . . 2 . . . A 3 PHE HB3 . 34090 1
24 . 1 1 3 3 PHE HD1 H 1 7.055 . . 1 . . . A 3 PHE HD1 . 34090 1
25 . 1 1 3 3 PHE HD2 H 1 7.055 . . 1 . . . A 3 PHE HD2 . 34090 1
26 . 1 1 3 3 PHE HE1 H 1 7.141 . . 1 . . . A 3 PHE HE1 . 34090 1
27 . 1 1 3 3 PHE HE2 H 1 7.141 . . 1 . . . A 3 PHE HE2 . 34090 1
28 . 1 1 3 3 PHE HZ H 1 7.089 . . 1 . . . A 3 PHE HZ . 34090 1
29 . 1 1 3 3 PHE CA C 13 60.656 . . 1 . . . A 3 PHE CA . 34090 1
30 . 1 1 3 3 PHE CB C 13 38.204 . . 1 . . . A 3 PHE CB . 34090 1
31 . 1 1 3 3 PHE CD1 C 13 131.179 . . 1 . . . A 3 PHE CD1 . 34090 1
32 . 1 1 3 3 PHE CE1 C 13 131.108 . . 1 . . . A 3 PHE CE1 . 34090 1
33 . 1 1 3 3 PHE CZ C 13 129.619 . . 1 . . . A 3 PHE CZ . 34090 1
34 . 1 1 4 4 ASP H H 1 7.630 . . 1 . . . A 4 ASP H . 34090 1
35 . 1 1 4 4 ASP HA H 1 4.175 . . 1 . . . A 4 ASP HA . 34090 1
36 . 1 1 4 4 ASP HB2 H 1 2.790 . . 2 . . . A 4 ASP HB2 . 34090 1
37 . 1 1 4 4 ASP HB3 H 1 2.696 . . 2 . . . A 4 ASP HB3 . 34090 1
38 . 1 1 4 4 ASP CA C 13 56.296 . . 1 . . . A 4 ASP CA . 34090 1
39 . 1 1 4 4 ASP CB C 13 38.520 . . 1 . . . A 4 ASP CB . 34090 1
40 . 1 1 5 5 ILE H H 1 7.350 . . 1 . . . A 5 ILE H . 34090 1
41 . 1 1 5 5 ILE HA H 1 3.609 . . 1 . . . A 5 ILE HA . 34090 1
42 . 1 1 5 5 ILE HB H 1 1.938 . . 1 . . . A 5 ILE HB . 34090 1
43 . 1 1 5 5 ILE HG12 H 1 1.472 . . 2 . . . A 5 ILE HG12 . 34090 1
44 . 1 1 5 5 ILE HG13 H 1 1.012 . . 2 . . . A 5 ILE HG13 . 34090 1
45 . 1 1 5 5 ILE HG21 H 1 0.712 . . 1 . . . A 5 ILE HG21 . 34090 1
46 . 1 1 5 5 ILE HG22 H 1 0.712 . . 1 . . . A 5 ILE HG22 . 34090 1
47 . 1 1 5 5 ILE HG23 H 1 0.712 . . 1 . . . A 5 ILE HG23 . 34090 1
48 . 1 1 5 5 ILE HD11 H 1 0.675 . . 1 . . . A 5 ILE HD11 . 34090 1
49 . 1 1 5 5 ILE HD12 H 1 0.675 . . 1 . . . A 5 ILE HD12 . 34090 1
50 . 1 1 5 5 ILE HD13 H 1 0.675 . . 1 . . . A 5 ILE HD13 . 34090 1
51 . 1 1 5 5 ILE CA C 13 64.305 . . 1 . . . A 5 ILE CA . 34090 1
52 . 1 1 5 5 ILE CB C 13 37.800 . . 1 . . . A 5 ILE CB . 34090 1
53 . 1 1 5 5 ILE CG1 C 13 28.197 . . 1 . . . A 5 ILE CG1 . 34090 1
54 . 1 1 5 5 ILE CG2 C 13 16.710 . . 1 . . . A 5 ILE CG2 . 34090 1
55 . 1 1 5 5 ILE CD1 C 13 12.028 . . 1 . . . A 5 ILE CD1 . 34090 1
56 . 1 1 6 6 VAL H H 1 7.824 . . 1 . . . A 6 VAL H . 34090 1
57 . 1 1 6 6 VAL HA H 1 3.263 . . 1 . . . A 6 VAL HA . 34090 1
58 . 1 1 6 6 VAL HB H 1 1.919 . . 1 . . . A 6 VAL HB . 34090 1
59 . 1 1 6 6 VAL HG11 H 1 0.829 . . 2 . . . A 6 VAL HG11 . 34090 1
60 . 1 1 6 6 VAL HG12 H 1 0.829 . . 2 . . . A 6 VAL HG12 . 34090 1
61 . 1 1 6 6 VAL HG13 H 1 0.829 . . 2 . . . A 6 VAL HG13 . 34090 1
62 . 1 1 6 6 VAL HG21 H 1 0.719 . . 2 . . . A 6 VAL HG21 . 34090 1
63 . 1 1 6 6 VAL HG22 H 1 0.719 . . 2 . . . A 6 VAL HG22 . 34090 1
64 . 1 1 6 6 VAL HG23 H 1 0.719 . . 2 . . . A 6 VAL HG23 . 34090 1
65 . 1 1 6 6 VAL CA C 13 67.151 . . 1 . . . A 6 VAL CA . 34090 1
66 . 1 1 6 6 VAL CB C 13 31.551 . . 1 . . . A 6 VAL CB . 34090 1
67 . 1 1 6 6 VAL CG1 C 13 22.110 . . 1 . . . A 6 VAL CG1 . 34090 1
68 . 1 1 6 6 VAL CG2 C 13 20.656 . . 1 . . . A 6 VAL CG2 . 34090 1
69 . 1 1 7 7 LYS H H 1 7.858 . . 1 . . . A 7 LYS H . 34090 1
70 . 1 1 7 7 LYS HA H 1 3.625 . . 1 . . . A 7 LYS HA . 34090 1
71 . 1 1 7 7 LYS HB2 H 1 1.534 . . 2 . . . A 7 LYS HB2 . 34090 1
72 . 1 1 7 7 LYS HB3 H 1 1.534 . . 2 . . . A 7 LYS HB3 . 34090 1
73 . 1 1 7 7 LYS HG2 H 1 1.226 . . 2 . . . A 7 LYS HG2 . 34090 1
74 . 1 1 7 7 LYS HG3 H 1 1.123 . . 2 . . . A 7 LYS HG3 . 34090 1
75 . 1 1 7 7 LYS HD2 H 1 1.454 . . 2 . . . A 7 LYS HD2 . 34090 1
76 . 1 1 7 7 LYS HD3 H 1 1.454 . . 2 . . . A 7 LYS HD3 . 34090 1
77 . 1 1 7 7 LYS HE2 H 1 2.701 . . 2 . . . A 7 LYS HE2 . 34090 1
78 . 1 1 7 7 LYS HE3 H 1 2.701 . . 2 . . . A 7 LYS HE3 . 34090 1
79 . 1 1 7 7 LYS CA C 13 59.823 . . 1 . . . A 7 LYS CA . 34090 1
80 . 1 1 7 7 LYS CB C 13 32.212 . . 1 . . . A 7 LYS CB . 34090 1
81 . 1 1 7 7 LYS CG C 13 25.059 . . 1 . . . A 7 LYS CG . 34090 1
82 . 1 1 7 7 LYS CD C 13 29.451 . . 1 . . . A 7 LYS CD . 34090 1
83 . 1 1 7 7 LYS CE C 13 41.907 . . 1 . . . A 7 LYS CE . 34090 1
84 . 1 1 8 8 LYS H H 1 7.384 . . 1 . . . A 8 LYS H . 34090 1
85 . 1 1 8 8 LYS HA H 1 3.909 . . 1 . . . A 8 LYS HA . 34090 1
86 . 1 1 8 8 LYS HB2 H 1 1.851 . . 2 . . . A 8 LYS HB2 . 34090 1
87 . 1 1 8 8 LYS HB3 H 1 1.851 . . 2 . . . A 8 LYS HB3 . 34090 1
88 . 1 1 8 8 LYS HG2 H 1 1.426 . . 2 . . . A 8 LYS HG2 . 34090 1
89 . 1 1 8 8 LYS HG3 H 1 1.291 . . 2 . . . A 8 LYS HG3 . 34090 1
90 . 1 1 8 8 LYS HD2 H 1 1.519 . . 2 . . . A 8 LYS HD2 . 34090 1
91 . 1 1 8 8 LYS HD3 H 1 1.519 . . 2 . . . A 8 LYS HD3 . 34090 1
92 . 1 1 8 8 LYS HE2 H 1 2.802 . . 2 . . . A 8 LYS HE2 . 34090 1
93 . 1 1 8 8 LYS HE3 H 1 2.802 . . 2 . . . A 8 LYS HE3 . 34090 1
94 . 1 1 8 8 LYS CA C 13 58.974 . . 1 . . . A 8 LYS CA . 34090 1
95 . 1 1 8 8 LYS CB C 13 32.256 . . 1 . . . A 8 LYS CB . 34090 1
96 . 1 1 8 8 LYS CG C 13 24.877 . . 1 . . . A 8 LYS CG . 34090 1
97 . 1 1 8 8 LYS CD C 13 28.987 . . 1 . . . A 8 LYS CD . 34090 1
98 . 1 1 8 8 LYS CE C 13 42.014 . . 1 . . . A 8 LYS CE . 34090 1
99 . 1 1 9 9 VAL H H 1 8.124 . . 1 . . . A 9 VAL H . 34090 1
100 . 1 1 9 9 VAL HA H 1 3.469 . . 1 . . . A 9 VAL HA . 34090 1
101 . 1 1 9 9 VAL HB H 1 2.012 . . 1 . . . A 9 VAL HB . 34090 1
102 . 1 1 9 9 VAL HG11 H 1 0.848 . . 2 . . . A 9 VAL HG11 . 34090 1
103 . 1 1 9 9 VAL HG12 H 1 0.848 . . 2 . . . A 9 VAL HG12 . 34090 1
104 . 1 1 9 9 VAL HG13 H 1 0.848 . . 2 . . . A 9 VAL HG13 . 34090 1
105 . 1 1 9 9 VAL HG21 H 1 0.740 . . 2 . . . A 9 VAL HG21 . 34090 1
106 . 1 1 9 9 VAL HG22 H 1 0.740 . . 2 . . . A 9 VAL HG22 . 34090 1
107 . 1 1 9 9 VAL HG23 H 1 0.740 . . 2 . . . A 9 VAL HG23 . 34090 1
108 . 1 1 9 9 VAL CA C 13 66.579 . . 1 . . . A 9 VAL CA . 34090 1
109 . 1 1 9 9 VAL CB C 13 31.853 . . 1 . . . A 9 VAL CB . 34090 1
110 . 1 1 9 9 VAL CG1 C 13 22.015 . . 1 . . . A 9 VAL CG1 . 34090 1
111 . 1 1 9 9 VAL CG2 C 13 20.821 . . 1 . . . A 9 VAL CG2 . 34090 1
112 . 1 1 10 10 VAL H H 1 8.562 . . 1 . . . A 10 VAL H . 34090 1
113 . 1 1 10 10 VAL HA H 1 3.448 . . 1 . . . A 10 VAL HA . 34090 1
114 . 1 1 10 10 VAL HB H 1 1.896 . . 1 . . . A 10 VAL HB . 34090 1
115 . 1 1 10 10 VAL HG11 H 1 0.838 . . 2 . . . A 10 VAL HG11 . 34090 1
116 . 1 1 10 10 VAL HG12 H 1 0.838 . . 2 . . . A 10 VAL HG12 . 34090 1
117 . 1 1 10 10 VAL HG13 H 1 0.838 . . 2 . . . A 10 VAL HG13 . 34090 1
118 . 1 1 10 10 VAL HG21 H 1 0.721 . . 2 . . . A 10 VAL HG21 . 34090 1
119 . 1 1 10 10 VAL HG22 H 1 0.721 . . 2 . . . A 10 VAL HG22 . 34090 1
120 . 1 1 10 10 VAL HG23 H 1 0.721 . . 2 . . . A 10 VAL HG23 . 34090 1
121 . 1 1 10 10 VAL CA C 13 66.495 . . 1 . . . A 10 VAL CA . 34090 1
122 . 1 1 10 10 VAL CB C 13 31.495 . . 1 . . . A 10 VAL CB . 34090 1
123 . 1 1 10 10 VAL CG1 C 13 22.301 . . 1 . . . A 10 VAL CG1 . 34090 1
124 . 1 1 10 10 VAL CG2 C 13 20.707 . . 1 . . . A 10 VAL CG2 . 34090 1
125 . 1 1 11 11 GLY H H 1 7.866 . . 1 . . . A 11 GLY H . 34090 1
126 . 1 1 11 11 GLY HA2 H 1 3.684 . . 2 . . . A 11 GLY HA2 . 34090 1
127 . 1 1 11 11 GLY HA3 H 1 3.684 . . 2 . . . A 11 GLY HA3 . 34090 1
128 . 1 1 11 11 GLY CA C 13 46.629 . . 1 . . . A 11 GLY CA . 34090 1
129 . 1 1 12 12 ALA H H 1 7.743 . . 1 . . . A 12 ALA H . 34090 1
130 . 1 1 12 12 ALA HA H 1 4.108 . . 1 . . . A 12 ALA HA . 34090 1
131 . 1 1 12 12 ALA HB1 H 1 1.358 . . 1 . . . A 12 ALA HB1 . 34090 1
132 . 1 1 12 12 ALA HB2 H 1 1.358 . . 1 . . . A 12 ALA HB2 . 34090 1
133 . 1 1 12 12 ALA HB3 H 1 1.358 . . 1 . . . A 12 ALA HB3 . 34090 1
134 . 1 1 12 12 ALA CA C 13 53.987 . . 1 . . . A 12 ALA CA . 34090 1
135 . 1 1 12 12 ALA CB C 13 18.317 . . 1 . . . A 12 ALA CB . 34090 1
136 . 1 1 13 13 LEU H H 1 7.931 . . 1 . . . A 13 LEU H . 34090 1
137 . 1 1 13 13 LEU HA H 1 4.098 . . 1 . . . A 13 LEU HA . 34090 1
138 . 1 1 13 13 LEU HB2 H 1 1.667 . . 2 . . . A 13 LEU HB2 . 34090 1
139 . 1 1 13 13 LEU HB3 H 1 1.667 . . 2 . . . A 13 LEU HB3 . 34090 1
140 . 1 1 13 13 LEU HG H 1 1.698 . . 1 . . . A 13 LEU HG . 34090 1
141 . 1 1 13 13 LEU HD11 H 1 0.712 . . 2 . . . A 13 LEU HD11 . 34090 1
142 . 1 1 13 13 LEU HD12 H 1 0.712 . . 2 . . . A 13 LEU HD12 . 34090 1
143 . 1 1 13 13 LEU HD13 H 1 0.712 . . 2 . . . A 13 LEU HD13 . 34090 1
144 . 1 1 13 13 LEU HD21 H 1 0.666 . . 2 . . . A 13 LEU HD21 . 34090 1
145 . 1 1 13 13 LEU HD22 H 1 0.666 . . 2 . . . A 13 LEU HD22 . 34090 1
146 . 1 1 13 13 LEU HD23 H 1 0.666 . . 2 . . . A 13 LEU HD23 . 34090 1
147 . 1 1 13 13 LEU CA C 13 55.957 . . 1 . . . A 13 LEU CA . 34090 1
148 . 1 1 13 13 LEU CB C 13 42.217 . . 1 . . . A 13 LEU CB . 34090 1
149 . 1 1 13 13 LEU CG C 13 26.523 . . 1 . . . A 13 LEU CG . 34090 1
150 . 1 1 13 13 LEU CD1 C 13 23.137 . . 1 . . . A 13 LEU CD1 . 34090 1
151 . 1 1 13 13 LEU CD2 C 13 22.093 . . 1 . . . A 13 LEU CD2 . 34090 1
152 . 1 1 14 14 GLY H H 1 7.864 . . 1 . . . A 14 GLY H . 34090 1
153 . 1 1 14 14 GLY HA2 H 1 3.747 . . 2 . . . A 14 GLY HA2 . 34090 1
154 . 1 1 14 14 GLY HA3 H 1 3.747 . . 2 . . . A 14 GLY HA3 . 34090 1
155 . 1 1 14 14 GLY CA C 13 45.116 . . 1 . . . A 14 GLY CA . 34090 1
156 . 1 1 15 15 NH2 HN1 H 1 7.195 . . 2 . . . A 15 NH2 HN1 . 34090 1
157 . 1 1 15 15 NH2 HN2 H 1 6.846 . . 2 . . . A 15 NH2 HN2 . 34090 1
stop_
save_