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 35024
_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' . . . 35024 1
2 '2D 1H-1H TOCSY' . . . 35024 1
3 '2D 1H-1H COSY' . . . 35024 1
4 '2D DQF-COSY' . . . 35024 1
5 '2D 1H-13C HSQC' . . . 35024 1
6 '2D 1H-13C HMBC' . . . 35024 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 H H 1 7.23 0.02 . 1 . . . . A 1 GLY H1 . 35024 1
2 . 1 . 1 1 1 GLY HA2 H 1 3.52 0.02 . 2 . . . . A 1 GLY HA2 . 35024 1
3 . 1 . 1 1 1 GLY HA3 H 1 3.52 0.02 . 2 . . . . A 1 GLY HA3 . 35024 1
4 . 1 . 1 1 1 GLY C C 13 170.55 0.3 . 1 . . . . A 1 GLY C . 35024 1
5 . 1 . 1 1 1 GLY CA C 13 42.75 0.3 . 1 . . . . A 1 GLY CA . 35024 1
6 . 1 . 1 2 2 ILE H H 1 8.83 0.02 . 1 . . . . A 2 ILE H . 35024 1
7 . 1 . 1 2 2 ILE HA H 1 4.67 0.02 . 1 . . . . A 2 ILE HA . 35024 1
8 . 1 . 1 2 2 ILE HB H 1 2.17 0.02 . 1 . . . . A 2 ILE HB . 35024 1
9 . 1 . 1 2 2 ILE HG12 H 1 1.16 0.02 . 2 . . . . A 2 ILE HG12 . 35024 1
10 . 1 . 1 2 2 ILE HG13 H 1 1.33 0.02 . 2 . . . . A 2 ILE HG13 . 35024 1
11 . 1 . 1 2 2 ILE HG21 H 1 0.87 0.02 . 1 . . . . A 2 ILE HG21 . 35024 1
12 . 1 . 1 2 2 ILE HG22 H 1 0.87 0.02 . 1 . . . . A 2 ILE HG22 . 35024 1
13 . 1 . 1 2 2 ILE HG23 H 1 0.87 0.02 . 1 . . . . A 2 ILE HG23 . 35024 1
14 . 1 . 1 2 2 ILE HD11 H 1 0.9 0.02 . 1 . . . . A 2 ILE HD11 . 35024 1
15 . 1 . 1 2 2 ILE HD12 H 1 0.9 0.02 . 1 . . . . A 2 ILE HD12 . 35024 1
16 . 1 . 1 2 2 ILE HD13 H 1 0.9 0.02 . 1 . . . . A 2 ILE HD13 . 35024 1
17 . 1 . 1 2 2 ILE C C 13 174.95 0.3 . 1 . . . . A 2 ILE C . 35024 1
18 . 1 . 1 2 2 ILE CA C 13 59.49 0.3 . 1 . . . . A 2 ILE CA . 35024 1
19 . 1 . 1 2 2 ILE CB C 13 39.05 0.3 . 1 . . . . A 2 ILE CB . 35024 1
20 . 1 . 1 2 2 ILE CG1 C 13 24.9 0.3 . 4 1 . . . A 2 ILE CG1 . 35024 1
21 . 1 . 1 2 2 ILE CG2 C 13 16.35 0.3 . 4 1 . . . A 2 ILE CG2 . 35024 1
22 . 1 . 1 2 2 ILE CD1 C 13 12.44 0.3 . 1 . . . . A 2 ILE CD1 . 35024 1
23 . 1 . 1 3 3 SER H H 1 8.16 0.02 . 1 . . . . A 3 SER H . 35024 1
24 . 1 . 1 3 3 SER HA H 1 4.25 0.02 . 1 . . . . A 3 SER HA . 35024 1
25 . 1 . 1 3 3 SER HB2 H 1 3.89 0.02 . 2 . . . . A 3 SER HB2 . 35024 1
26 . 1 . 1 3 3 SER HB3 H 1 3.89 0.02 . 2 . . . . A 3 SER HB3 . 35024 1
27 . 1 . 1 3 3 SER C C 13 172.59 0.3 . 1 . . . . A 3 SER C . 35024 1
28 . 1 . 1 3 3 SER CA C 13 51.09 0.3 . 1 . . . . A 3 SER CA . 35024 1
29 . 1 . 1 3 3 SER CB C 13 63.02 0.3 . 1 . . . . A 3 SER CB . 35024 1
30 . 1 . 1 4 4 GLY H H 1 9.22 0.02 . 1 . . . . A 4 GLY H . 35024 1
31 . 1 . 1 4 4 GLY HA2 H 1 3.33 0.02 . 2 . . . . A 4 GLY HA2 . 35024 1
32 . 1 . 1 4 4 GLY HA3 H 1 3.33 0.02 . 2 . . . . A 4 GLY HA3 . 35024 1
33 . 1 . 1 5 5 GLY H H 1 7.86 0.02 . 1 . . . . A 5 GLY H . 35024 1
34 . 1 . 1 5 5 GLY HA2 H 1 3.47 0.02 . 2 . . . . A 5 GLY HA2 . 35024 1
35 . 1 . 1 5 5 GLY HA3 H 1 3.47 0.02 . 2 . . . . A 5 GLY HA3 . 35024 1
36 . 1 . 1 5 5 GLY C C 13 171.05 0.3 . 1 . . . . A 5 GLY C . 35024 1
37 . 1 . 1 5 5 GLY CA C 13 42.5 0.3 . 1 . . . . A 5 GLY CA . 35024 1
38 . 1 . 1 6 6 THR H H 1 7.98 0.02 . 1 . . . . A 6 THR H . 35024 1
39 . 1 . 1 6 6 THR HA H 1 4.6 0.02 . 1 . . . . A 6 THR HA . 35024 1
40 . 1 . 1 6 6 THR HB H 1 4.52 0.02 . 1 . . . . A 6 THR HB . 35024 1
41 . 1 . 1 6 6 THR HG21 H 1 1.05 0.02 . 1 . . . . A 6 THR HG21 . 35024 1
42 . 1 . 1 6 6 THR HG22 H 1 1.05 0.02 . 1 . . . . A 6 THR HG22 . 35024 1
43 . 1 . 1 6 6 THR HG23 H 1 1.05 0.02 . 1 . . . . A 6 THR HG23 . 35024 1
44 . 1 . 1 6 6 THR C C 13 173.28 0.3 . 1 . . . . A 6 THR C . 35024 1
45 . 1 . 1 6 6 THR CA C 13 58.88 0.3 . 1 . . . . A 6 THR CA . 35024 1
46 . 1 . 1 6 6 THR CB C 13 67.65 0.3 . 1 . . . . A 6 THR CB . 35024 1
47 . 1 . 1 6 6 THR CG2 C 13 19.89 0.3 . 1 . . . . A 6 THR CG2 . 35024 1
48 . 1 . 1 7 7 VAL H H 1 8.42 0.02 . 1 . . . . A 7 VAL H . 35024 1
49 . 1 . 1 7 7 VAL HA H 1 3.83 0.02 . 1 . . . . A 7 VAL HA . 35024 1
50 . 1 . 1 7 7 VAL HB H 1 1.93 0.02 . 1 . . . . A 7 VAL HB . 35024 1
51 . 1 . 1 7 7 VAL HG11 H 1 0.91 0.02 . 2 . . . . A 7 VAL HG11 . 35024 1
52 . 1 . 1 7 7 VAL HG12 H 1 0.91 0.02 . 2 . . . . A 7 VAL HG12 . 35024 1
53 . 1 . 1 7 7 VAL HG13 H 1 0.91 0.02 . 2 . . . . A 7 VAL HG13 . 35024 1
54 . 1 . 1 7 7 VAL HG21 H 1 0.91 0.02 . 2 . . . . A 7 VAL HG21 . 35024 1
55 . 1 . 1 7 7 VAL HG22 H 1 0.91 0.02 . 2 . . . . A 7 VAL HG22 . 35024 1
56 . 1 . 1 7 7 VAL HG23 H 1 0.91 0.02 . 2 . . . . A 7 VAL HG23 . 35024 1
57 . 1 . 1 7 7 VAL CA C 13 63.97 0.3 . 1 . . . . A 7 VAL CA . 35024 1
58 . 1 . 1 7 7 VAL CB C 13 30.61 0.3 . 1 . . . . A 7 VAL CB . 35024 1
59 . 1 . 1 7 7 VAL CG1 C 13 20.14 0.3 . 2 . . . . A 7 VAL CG1 . 35024 1
60 . 1 . 1 7 7 VAL CG2 C 13 20.14 0.3 . 2 . . . . A 7 VAL CG2 . 35024 1
61 . 1 . 1 8 8 ASP H H 1 7.45 0.02 . 1 . . . . A 8 ASP H . 35024 1
62 . 1 . 1 8 8 ASP HA H 1 5.02 0.02 . 1 . . . . A 8 ASP HA . 35024 1
63 . 1 . 1 8 8 ASP HB2 H 1 2.38 0.02 . 2 . . . . A 8 ASP HB2 . 35024 1
64 . 1 . 1 8 8 ASP HB3 H 1 2.38 0.02 . 2 . . . . A 8 ASP HB3 . 35024 1
65 . 1 . 1 8 8 ASP C C 13 170.81 0.3 . 1 . . . . A 8 ASP C . 35024 1
66 . 1 . 1 8 8 ASP CA C 13 49.73 0.3 . 1 . . . . A 8 ASP CA . 35024 1
67 . 1 . 1 8 8 ASP CB C 13 41.94 0.3 . 1 . . . . A 8 ASP CB . 35024 1
68 . 1 . 1 8 8 ASP CG C 13 171.48 0.3 . 1 . . . . A 8 ASP CG . 35024 1
69 . 1 . 1 9 9 ALA H H 1 8.8 0.02 . 1 . . . . A 9 ALA H . 35024 1
70 . 1 . 1 9 9 ALA HA H 1 4.4 0.02 . 1 . . . . A 9 ALA HA . 35024 1
71 . 1 . 1 9 9 ALA HB1 H 1 1.33 0.02 . 1 . . . . A 9 ALA HB1 . 35024 1
72 . 1 . 1 9 9 ALA HB2 H 1 1.33 0.02 . 1 . . . . A 9 ALA HB2 . 35024 1
73 . 1 . 1 9 9 ALA HB3 H 1 1.33 0.02 . 1 . . . . A 9 ALA HB3 . 35024 1
74 . 1 . 1 9 9 ALA C C 13 175.09 0.3 . 1 . . . . A 9 ALA C . 35024 1
75 . 1 . 1 9 9 ALA CA C 13 47.93 0.3 . 1 . . . . A 9 ALA CA . 35024 1
76 . 1 . 1 9 9 ALA CB C 13 16.35 0.3 . 1 . . . . A 9 ALA CB . 35024 1
77 . 1 . 1 10 10 PRO HA H 1 4.27 0.02 . 1 . . . . A 10 PRO HA . 35024 1
78 . 1 . 1 10 10 PRO HB2 H 1 2.11 0.02 . 2 . . . . A 10 PRO HB2 . 35024 1
79 . 1 . 1 10 10 PRO HB3 H 1 2.11 0.02 . 2 . . . . A 10 PRO HB3 . 35024 1
80 . 1 . 1 10 10 PRO HG2 H 1 1.96 0.02 . 2 . . . . A 10 PRO HG2 . 35024 1
81 . 1 . 1 10 10 PRO HG3 H 1 1.96 0.02 . 2 . . . . A 10 PRO HG3 . 35024 1
82 . 1 . 1 10 10 PRO HD2 H 1 3.21 0.02 . 2 . . . . A 10 PRO HD2 . 35024 1
83 . 1 . 1 10 10 PRO HD3 H 1 3.21 0.02 . 2 . . . . A 10 PRO HD3 . 35024 1
84 . 1 . 1 10 10 PRO C C 13 175.26 0.3 . 1 . . . . A 10 PRO C . 35024 1
85 . 1 . 1 10 10 PRO CA C 13 63.4 0.3 . 1 . . . . A 10 PRO CA . 35024 1
86 . 1 . 1 10 10 PRO CB C 13 33.02 0.3 . 1 . . . . A 10 PRO CB . 35024 1
87 . 1 . 1 10 10 PRO CG C 13 23.79 0.3 . 1 . . . . A 10 PRO CG . 35024 1
88 . 1 . 1 10 10 PRO CD C 13 48.34 0.3 . 1 . . . . A 10 PRO CD . 35024 1
89 . 1 . 1 11 11 ALA H H 1 8.36 0.02 . 1 . . . . A 11 ALA H . 35024 1
90 . 1 . 1 11 11 ALA HA H 1 4.51 0.02 . 1 . . . . A 11 ALA HA . 35024 1
91 . 1 . 1 11 11 ALA HB1 H 1 1.56 0.02 . 1 . . . . A 11 ALA HB1 . 35024 1
92 . 1 . 1 11 11 ALA HB2 H 1 1.56 0.02 . 1 . . . . A 11 ALA HB2 . 35024 1
93 . 1 . 1 11 11 ALA HB3 H 1 1.56 0.02 . 1 . . . . A 11 ALA HB3 . 35024 1
94 . 1 . 1 11 11 ALA C C 13 172.59 0.3 . 1 . . . . A 11 ALA C . 35024 1
95 . 1 . 1 11 11 ALA CA C 13 58.96 0.3 . 1 . . . . A 11 ALA CA . 35024 1
96 . 1 . 1 11 11 ALA CB C 13 16.12 0.3 . 1 . . . . A 11 ALA CB . 35024 1
97 . 1 . 1 12 12 GLY H H 1 7.76 0.02 . 1 . . . . A 12 GLY H . 35024 1
98 . 1 . 1 12 12 GLY HA2 H 1 3.5 0.02 . 2 . . . . A 12 GLY HA2 . 35024 1
99 . 1 . 1 12 12 GLY HA3 H 1 3.5 0.02 . 2 . . . . A 12 GLY HA3 . 35024 1
100 . 1 . 1 12 12 GLY CA C 13 44.34 0.3 . 1 . . . . A 12 GLY CA . 35024 1
101 . 1 . 1 13 13 GLN H H 1 7.81 0.02 . 1 . . . . A 13 GLN H . 35024 1
102 . 1 . 1 13 13 GLN HA H 1 4.62 0.02 . 1 . . . . A 13 GLN HA . 35024 1
103 . 1 . 1 13 13 GLN HB2 H 1 1.99 0.02 . 2 . . . . A 13 GLN HB2 . 35024 1
104 . 1 . 1 13 13 GLN HB3 H 1 1.99 0.02 . 2 . . . . A 13 GLN HB3 . 35024 1
105 . 1 . 1 13 13 GLN HG2 H 1 2.54 0.02 . 2 . . . . A 13 GLN HG2 . 35024 1
106 . 1 . 1 13 13 GLN HG3 H 1 2.54 0.02 . 2 . . . . A 13 GLN HG3 . 35024 1
107 . 1 . 1 13 13 GLN HE21 H 1 6.82 0.02 . 2 . . . . A 13 GLN HE21 . 35024 1
108 . 1 . 1 13 13 GLN HE22 H 1 6.82 0.02 . 2 . . . . A 13 GLN HE22 . 35024 1
109 . 1 . 1 13 13 GLN C C 13 178.65 0.3 . 1 . . . . A 13 GLN C . 35024 1
110 . 1 . 1 13 13 GLN CA C 13 53.91 0.3 . 1 . . . . A 13 GLN CA . 35024 1
111 . 1 . 1 13 13 GLN CB C 13 28.3 0.3 . 1 . . . . A 13 GLN CB . 35024 1
112 . 1 . 1 13 13 GLN CG C 13 31.99 0.3 . 1 . . . . A 13 GLN CG . 35024 1
113 . 1 . 1 14 14 GLY H H 1 8.76 0.02 . 1 . . . . A 14 GLY H . 35024 1
114 . 1 . 1 14 14 GLY HA2 H 1 3.33 0.02 . 2 . . . . A 14 GLY HA2 . 35024 1
115 . 1 . 1 14 14 GLY HA3 H 1 3.33 0.02 . 2 . . . . A 14 GLY HA3 . 35024 1
116 . 1 . 1 15 15 LEU H H 1 8.2 0.02 . 1 . . . . A 15 LEU H . 35024 1
117 . 1 . 1 15 15 LEU HA H 1 4.43 0.02 . 1 . . . . A 15 LEU HA . 35024 1
118 . 1 . 1 15 15 LEU HB2 H 1 1.6 0.02 . 2 . . . . A 15 LEU HB2 . 35024 1
119 . 1 . 1 15 15 LEU HB3 H 1 1.6 0.02 . 2 . . . . A 15 LEU HB3 . 35024 1
120 . 1 . 1 15 15 LEU HG H 1 1.62 0.02 . 1 . . . . A 15 LEU HG . 35024 1
121 . 1 . 1 15 15 LEU HD11 H 1 0.91 0.02 . 2 . . . . A 15 LEU HD11 . 35024 1
122 . 1 . 1 15 15 LEU HD12 H 1 0.91 0.02 . 2 . . . . A 15 LEU HD12 . 35024 1
123 . 1 . 1 15 15 LEU HD13 H 1 0.91 0.02 . 2 . . . . A 15 LEU HD13 . 35024 1
124 . 1 . 1 15 15 LEU HD21 H 1 0.91 0.02 . 2 . . . . A 15 LEU HD21 . 35024 1
125 . 1 . 1 15 15 LEU HD22 H 1 0.91 0.02 . 2 . . . . A 15 LEU HD22 . 35024 1
126 . 1 . 1 15 15 LEU HD23 H 1 0.91 0.02 . 2 . . . . A 15 LEU HD23 . 35024 1
127 . 1 . 1 15 15 LEU C C 13 173.95 0.3 . 1 . . . . A 15 LEU C . 35024 1
128 . 1 . 1 15 15 LEU CA C 13 53.13 0.3 . 1 . . . . A 15 LEU CA . 35024 1
129 . 1 . 1 15 15 LEU CB C 13 41.83 0.3 . 1 . . . . A 15 LEU CB . 35024 1
130 . 1 . 1 15 15 LEU CG C 13 25.78 0.3 . 1 . . . . A 15 LEU CG . 35024 1
131 . 1 . 1 15 15 LEU CD1 C 13 21.55 0.3 . 2 . . . . A 15 LEU CD1 . 35024 1
132 . 1 . 1 15 15 LEU CD2 C 13 21.55 0.3 . 2 . . . . A 15 LEU CD2 . 35024 1
133 . 1 . 1 16 16 ALA H H 1 7.95 0.02 . 1 . . . . A 16 ALA H . 35024 1
134 . 1 . 1 16 16 ALA HA H 1 4.22 0.02 . 1 . . . . A 16 ALA HA . 35024 1
135 . 1 . 1 16 16 ALA HB1 H 1 1.39 0.02 . 1 . . . . A 16 ALA HB1 . 35024 1
136 . 1 . 1 16 16 ALA HB2 H 1 1.39 0.02 . 1 . . . . A 16 ALA HB2 . 35024 1
137 . 1 . 1 16 16 ALA HB3 H 1 1.39 0.02 . 1 . . . . A 16 ALA HB3 . 35024 1
138 . 1 . 1 16 16 ALA C C 13 178.23 0.3 . 1 . . . . A 16 ALA C . 35024 1
139 . 1 . 1 16 16 ALA CA C 13 51.09 0.3 . 1 . . . . A 16 ALA CA . 35024 1
140 . 1 . 1 16 16 ALA CB C 13 18.58 0.3 . 1 . . . . A 16 ALA CB . 35024 1
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