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 21079
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.08
_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-13C HSQC' 1 $sample_1 isotropic 21079 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21079 1
3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 21079 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
2 $NMRDraw . . 21079 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.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 TRP HA H 1 4.80 0.02 . 1 . . . . . 1 TRP HA . 21079 1
2 . 1 1 1 1 TRP HB2 H 1 3.33 0.02 . 2 . . . . . 1 TRP HB2 . 21079 1
3 . 1 1 1 1 TRP HB3 H 1 3.21 0.02 . 2 . . . . . 1 TRP HB3 . 21079 1
4 . 1 1 1 1 TRP CA C 13 55.84 0.08 . 1 . . . . . 1 TRP CA . 21079 1
5 . 1 1 1 1 TRP CB C 13 29.74 0.08 . 1 . . . . . 1 TRP CB . 21079 1
6 . 1 1 2 2 SER HA H 1 4.45 0.02 . 1 . . . . . 2 SER HA . 21079 1
7 . 1 1 2 2 SER HB2 H 1 3.80 0.02 . 2 . . . . . 2 SER HB2 . 21079 1
8 . 1 1 2 2 SER HB3 H 1 3.72 0.02 . 2 . . . . . 2 SER HB3 . 21079 1
9 . 1 1 2 2 SER CA C 13 57.23 0.08 . 1 . . . . . 2 SER CA . 21079 1
10 . 1 1 2 2 SER CB C 13 63.70 0.08 . 1 . . . . . 2 SER CB . 21079 1
11 . 1 1 3 3 TYR HA H 1 4.47 0.02 . 1 . . . . . 3 TYR HA . 21079 1
12 . 1 1 3 3 TYR HB2 H 1 3.06 0.02 . 2 . . . . . 3 TYR HB2 . 21079 1
13 . 1 1 3 3 TYR HB3 H 1 2.95 0.02 . 2 . . . . . 3 TYR HB3 . 21079 1
14 . 1 1 3 3 TYR CA C 13 57.98 0.08 . 1 . . . . . 3 TYR CA . 21079 1
15 . 1 1 3 3 TYR CB C 13 38.13 0.08 . 1 . . . . . 3 TYR CB . 21079 1
16 . 1 1 4 4 ASN HA H 1 4.76 0.02 . 1 . . . . . 4 ASN HA . 21079 1
17 . 1 1 4 4 ASN HB2 H 1 2.91 0.02 . 2 . . . . . 4 ASN HB2 . 21079 1
18 . 1 1 4 4 ASN HB3 H 1 2.85 0.02 . 2 . . . . . 4 ASN HB3 . 21079 1
19 . 1 1 4 4 ASN CA C 13 53.84 0.08 . 1 . . . . . 4 ASN CA . 21079 1
20 . 1 1 4 4 ASN CB C 13 38.84 0.08 . 1 . . . . . 4 ASN CB . 21079 1
21 . 1 1 5 5 ALA H H 1 8.20 0.02 . 1 . . . . . 5 ALA H . 21079 1
22 . 1 1 5 5 ALA HA H 1 4.10 0.02 . 1 . . . . . 5 ALA HA . 21079 1
23 . 1 1 5 5 ALA HB1 H 1 1.46 0.02 . 1 . . . . . 5 ALA HB . 21079 1
24 . 1 1 5 5 ALA HB2 H 1 1.46 0.02 . 1 . . . . . 5 ALA HB . 21079 1
25 . 1 1 5 5 ALA HB3 H 1 1.46 0.02 . 1 . . . . . 5 ALA HB . 21079 1
26 . 1 1 5 5 ALA CA C 13 54.62 0.08 . 1 . . . . . 5 ALA CA . 21079 1
27 . 1 1 5 5 ALA CB C 13 17.65 0.08 . 1 . . . . . 5 ALA CB . 21079 1
28 . 1 1 6 6 GLU H H 1 8.45 0.02 . 1 . . . . . 6 GLU H . 21079 1
29 . 1 1 6 6 GLU HA H 1 4.00 0.02 . 1 . . . . . 6 GLU HA . 21079 1
30 . 1 1 6 6 GLU HB2 H 1 2.16 0.02 . 2 . . . . . 6 GLU HB2 . 21079 1
31 . 1 1 6 6 GLU HB3 H 1 2.11 0.02 . 2 . . . . . 6 GLU HB3 . 21079 1
32 . 1 1 6 6 GLU HG2 H 1 2.45 0.02 . 2 . . . . . 6 GLU HG2 . 21079 1
33 . 1 1 6 6 GLU HG3 H 1 2.45 0.02 . 2 . . . . . 6 GLU HG3 . 21079 1
34 . 1 1 6 6 GLU CA C 13 59.30 0.08 . 1 . . . . . 6 GLU CA . 21079 1
35 . 1 1 6 6 GLU CB C 13 28.76 0.08 . 1 . . . . . 6 GLU CB . 21079 1
36 . 1 1 6 6 GLU CG C 13 36.35 0.08 . 1 . . . . . 6 GLU CG . 21079 1
37 . 1 1 7 7 LEU H H 1 7.73 0.02 . 1 . . . . . 7 LEU H . 21079 1
38 . 1 1 7 7 LEU HA H 1 4.20 0.02 . 1 . . . . . 7 LEU HA . 21079 1
39 . 1 1 7 7 LEU HB2 H 1 1.90 0.02 . 2 . . . . . 7 LEU HB2 . 21079 1
40 . 1 1 7 7 LEU HB3 H 1 1.68 0.02 . 2 . . . . . 7 LEU HB3 . 21079 1
41 . 1 1 7 7 LEU HD11 H 1 0.99 0.02 . 2 . . . . . 7 LEU HD1 . 21079 1
42 . 1 1 7 7 LEU HD12 H 1 0.99 0.02 . 2 . . . . . 7 LEU HD1 . 21079 1
43 . 1 1 7 7 LEU HD13 H 1 0.99 0.02 . 2 . . . . . 7 LEU HD1 . 21079 1
44 . 1 1 7 7 LEU HD21 H 1 0.95 0.08 . 2 . . . . . 7 LEU HD2 . 21079 1
45 . 1 1 7 7 LEU HD22 H 1 0.95 0.08 . 2 . . . . . 7 LEU HD2 . 21079 1
46 . 1 1 7 7 LEU HD23 H 1 0.95 0.08 . 2 . . . . . 7 LEU HD2 . 21079 1
47 . 1 1 7 7 LEU HG H 1 1.78 0.02 . 1 . . . . . 7 LEU HG . 21079 1
48 . 1 1 7 7 LEU CA C 13 56.85 0.08 . 1 . . . . . 7 LEU CA . 21079 1
49 . 1 1 7 7 LEU CB C 13 41.04 0.08 . 1 . . . . . 7 LEU CB . 21079 1
50 . 1 1 7 7 LEU CD1 C 13 23.37 0.08 . 2 . . . . . 7 LEU CD1 . 21079 1
51 . 1 1 7 7 LEU CD2 C 13 24.27 0.08 . 2 . . . . . 7 LEU CD2 . 21079 1
52 . 1 1 7 7 LEU CG C 13 26.65 0.08 . 1 . . . . . 7 LEU CG . 21079 1
53 . 1 1 8 8 LEU H H 1 7.67 0.02 . 1 . . . . . 8 LEU H . 21079 1
54 . 1 1 8 8 LEU HA H 1 4.15 0.02 . 1 . . . . . 8 LEU HA . 21079 1
55 . 1 1 8 8 LEU HB2 H 1 1.76 0.02 . 2 . . . . . 8 LEU HB2 . 21079 1
56 . 1 1 8 8 LEU HB3 H 1 1.72 0.02 . 2 . . . . . 8 LEU HB3 . 21079 1
57 . 1 1 8 8 LEU HD11 H 1 0.94 0.02 . 2 . . . . . 8 LEU HD1 . 21079 1
58 . 1 1 8 8 LEU HD12 H 1 0.94 0.02 . 2 . . . . . 8 LEU HD1 . 21079 1
59 . 1 1 8 8 LEU HD13 H 1 0.94 0.02 . 2 . . . . . 8 LEU HD1 . 21079 1
60 . 1 1 8 8 LEU HD21 H 1 0.91 0.02 . 2 . . . . . 8 LEU HD2 . 21079 1
61 . 1 1 8 8 LEU HD22 H 1 0.91 0.02 . 2 . . . . . 8 LEU HD2 . 21079 1
62 . 1 1 8 8 LEU HD23 H 1 0.91 0.02 . 2 . . . . . 8 LEU HD2 . 21079 1
63 . 1 1 8 8 LEU HG H 1 1.71 0.02 . 1 . . . . . 8 LEU HG . 21079 1
64 . 1 1 8 8 LEU CA C 13 57.59 0.08 . 1 . . . . . 8 LEU CA . 21079 1
65 . 1 1 8 8 LEU CB C 13 41.60 0.08 . 1 . . . . . 8 LEU CB . 21079 1
66 . 1 1 8 8 LEU CD1 C 13 23.41 0.08 . 2 . . . . . 8 LEU CD1 . 21079 1
67 . 1 1 8 8 LEU CD2 C 13 22.48 0.08 . 2 . . . . . 8 LEU CD2 . 21079 1
68 . 1 1 8 8 LEU CG C 13 26.74 0.08 . 1 . . . . . 8 LEU CG . 21079 1
69 . 1 1 9 9 VAL H H 1 7.96 0.02 . 1 . . . . . 9 VAL H . 21079 1
70 . 1 1 9 9 VAL HA H 1 3.77 0.02 . 1 . . . . . 9 VAL HA . 21079 1
71 . 1 1 9 9 VAL HB H 1 2.21 0.02 . 1 . . . . . 9 VAL HB . 21079 1
72 . 1 1 9 9 VAL HG11 H 1 1.12 0.02 . 2 . . . . . 9 VAL HG1 . 21079 1
73 . 1 1 9 9 VAL HG12 H 1 1.12 0.02 . 2 . . . . . 9 VAL HG1 . 21079 1
74 . 1 1 9 9 VAL HG13 H 1 1.12 0.02 . 2 . . . . . 9 VAL HG1 . 21079 1
75 . 1 1 9 9 VAL HG21 H 1 1.01 0.02 . 2 . . . . . 9 VAL HG2 . 21079 1
76 . 1 1 9 9 VAL HG22 H 1 1.01 0.02 . 2 . . . . . 9 VAL HG2 . 21079 1
77 . 1 1 9 9 VAL HG23 H 1 1.01 0.02 . 2 . . . . . 9 VAL HG2 . 21079 1
78 . 1 1 9 9 VAL CA C 13 65.51 0.08 . 1 . . . . . 9 VAL CA . 21079 1
79 . 1 1 9 9 VAL CB C 13 31.52 0.08 . 1 . . . . . 9 VAL CB . 21079 1
80 . 1 1 9 9 VAL CG1 C 13 21.54 0.08 . 2 . . . . . 9 VAL CG1 . 21079 1
81 . 1 1 9 9 VAL CG2 C 13 20.51 0.08 . 2 . . . . . 9 VAL CG2 . 21079 1
82 . 1 1 10 10 ALA H H 1 8.00 0.02 . 1 . . . . . 10 ALA H . 21079 1
83 . 1 1 10 10 ALA HA H 1 4.20 0.02 . 1 . . . . . 10 ALA HA . 21079 1
84 . 1 1 10 10 ALA HB1 H 1 1.59 0.02 . 1 . . . . . 10 ALA HB . 21079 1
85 . 1 1 10 10 ALA HB2 H 1 1.59 0.02 . 1 . . . . . 10 ALA HB . 21079 1
86 . 1 1 10 10 ALA HB3 H 1 1.59 0.02 . 1 . . . . . 10 ALA HB . 21079 1
87 . 1 1 10 10 ALA CA C 13 54.55 0.08 . 1 . . . . . 10 ALA CA . 21079 1
88 . 1 1 10 10 ALA CB C 13 17.32 0.08 . 1 . . . . . 10 ALA CB . 21079 1
89 . 1 1 11 11 MET H H 1 8.40 0.02 . 1 . . . . . 11 MET H . 21079 1
90 . 1 1 11 11 MET HA H 1 4.18 0.02 . 1 . . . . . 11 MET HA . 21079 1
91 . 1 1 11 11 MET HB2 H 1 2.44 0.02 . 2 . . . . . 11 MET HB2 . 21079 1
92 . 1 1 11 11 MET HB3 H 1 2.42 0.02 . 2 . . . . . 11 MET HB3 . 21079 1
93 . 1 1 11 11 MET HE1 H 1 2.09 0.02 . 1 . . . . . 11 MET HE . 21079 1
94 . 1 1 11 11 MET HE2 H 1 2.09 0.02 . 1 . . . . . 11 MET HE . 21079 1
95 . 1 1 11 11 MET HE3 H 1 2.09 0.02 . 1 . . . . . 11 MET HE . 21079 1
96 . 1 1 11 11 MET HG2 H 1 2.21 0.02 . 2 . . . . . 11 MET HG2 . 21079 1
97 . 1 1 11 11 MET HG3 H 1 2.21 0.02 . 2 . . . . . 11 MET HG3 . 21079 1
98 . 1 1 11 11 MET CA C 13 62.73 0.08 . 1 . . . . . 11 MET CA . 21079 1
99 . 1 1 11 11 MET CB C 13 33.30 0.08 . 1 . . . . . 11 MET CB . 21079 1
100 . 1 1 11 11 MET CE C 13 15.96 0.08 . 1 . . . . . 11 MET CE . 21079 1
101 . 1 1 11 11 MET CG C 13 29.32 0.08 . 1 . . . . . 11 MET CG . 21079 1
102 . 1 1 12 12 GLU H H 1 8.27 0.02 . 1 . . . . . 12 GLU H . 21079 1
103 . 1 1 12 12 GLU HA H 1 4.27 0.02 . 1 . . . . . 12 GLU HA . 21079 1
104 . 1 1 12 12 GLU HB2 H 1 2.20 0.02 . 2 . . . . . 12 GLU HB2 . 21079 1
105 . 1 1 12 12 GLU HB3 H 1 2.14 0.02 . 2 . . . . . 12 GLU HB3 . 21079 1
106 . 1 1 12 12 GLU HG2 H 1 2.45 0.02 . 2 . . . . . 12 GLU HG2 . 21079 1
107 . 1 1 12 12 GLU HG3 H 1 2.38 0.02 . 2 . . . . . 12 GLU HG3 . 21079 1
108 . 1 1 12 12 GLU CA C 13 57.65 0.08 . 1 . . . . . 12 GLU CA . 21079 1
109 . 1 1 12 12 GLU CB C 13 28.62 0.08 . 1 . . . . . 12 GLU CB . 21079 1
110 . 1 1 12 12 GLU CG C 13 35.79 0.08 . 1 . . . . . 12 GLU CG . 21079 1
111 . 1 1 13 13 ASN H H 1 8.11 0.02 . 1 . . . . . 13 ASN H . 21079 1
112 . 1 1 13 13 ASN HA H 1 4.32 0.02 . 1 . . . . . 13 ASN HA . 21079 1
113 . 1 1 13 13 ASN HB2 H 1 2.90 0.02 . 2 . . . . . 13 ASN HB2 . 21079 1
114 . 1 1 13 13 ASN HB3 H 1 2.81 0.02 . 2 . . . . . 13 ASN HB3 . 21079 1
115 . 1 1 13 13 ASN CA C 13 56.26 0.08 . 1 . . . . . 13 ASN CA . 21079 1
116 . 1 1 13 13 ASN CB C 13 37.99 0.08 . 1 . . . . . 13 ASN CB . 21079 1
117 . 1 1 14 14 GLN H H 1 8.00 0.02 . 1 . . . . . 14 GLN H . 21079 1
118 . 1 1 14 14 GLN HA H 1 4.23 0.02 . 1 . . . . . 14 GLN HA . 21079 1
119 . 1 1 14 14 GLN HB2 H 1 2.33 0.02 . 2 . . . . . 14 GLN HB2 . 21079 1
120 . 1 1 14 14 GLN HB3 H 1 2.19 0.02 . 2 . . . . . 14 GLN HB3 . 21079 1
121 . 1 1 14 14 GLN HG2 H 1 2.83 0.02 . 2 . . . . . 14 GLN HG2 . 21079 1
122 . 1 1 14 14 GLN HG3 H 1 2.63 0.02 . 2 . . . . . 14 GLN HG3 . 21079 1
123 . 1 1 14 14 GLN CA C 13 57.91 0.08 . 1 . . . . . 14 GLN CA . 21079 1
124 . 1 1 14 14 GLN CB C 13 32.41 0.08 . 1 . . . . . 14 GLN CB . 21079 1
125 . 1 1 14 14 GLN CG C 13 31.94 0.08 . 1 . . . . . 14 GLN CG . 21079 1
126 . 1 1 15 15 HIS HA H 1 4.66 0.02 . 1 . . . . . 15 HIS HA . 21079 1
127 . 1 1 15 15 HIS HB2 H 1 3.27 0.02 . 2 . . . . . 15 HIS HB2 . 21079 1
128 . 1 1 15 15 HIS HB3 H 1 3.27 0.02 . 2 . . . . . 15 HIS HB3 . 21079 1
129 . 1 1 15 15 HIS CA C 13 53.19 0.08 . 1 . . . . . 15 HIS CA . 21079 1
130 . 1 1 15 15 HIS CB C 13 31.10 0.08 . 1 . . . . . 15 HIS CB . 21079 1
131 . 1 1 16 16 THR HA H 1 4.46 0.02 . 1 . . . . . 16 THR HA . 21079 1
132 . 1 1 16 16 THR HB H 1 4.39 0.02 . 1 . . . . . 16 THR HB . 21079 1
133 . 1 1 16 16 THR HG21 H 1 1.26 0.02 . 1 . . . . . 16 THR HG . 21079 1
134 . 1 1 16 16 THR HG22 H 1 1.26 0.02 . 1 . . . . . 16 THR HG . 21079 1
135 . 1 1 16 16 THR HG23 H 1 1.26 0.02 . 1 . . . . . 16 THR HG . 21079 1
136 . 1 1 16 16 THR CA C 13 61.40 0.08 . 1 . . . . . 16 THR CA . 21079 1
137 . 1 1 16 16 THR CB C 13 69.68 0.08 . 1 . . . . . 16 THR CB . 21079 1
138 . 1 1 16 16 THR CG2 C 13 20.79 0.08 . 1 . . . . . 16 THR CG2 . 21079 1
139 . 1 1 17 17 ILE HA H 1 4.06 0.02 . 1 . . . . . 17 ILE HA . 21079 1
140 . 1 1 17 17 ILE HB H 1 1.92 0.02 . 1 . . . . . 17 ILE HB . 21079 1
141 . 1 1 17 17 ILE HD11 H 1 0.95 0.02 . 1 . . . . . 17 ILE HD1 . 21079 1
142 . 1 1 17 17 ILE HD12 H 1 0.95 0.02 . 1 . . . . . 17 ILE HD1 . 21079 1
143 . 1 1 17 17 ILE HD13 H 1 0.95 0.02 . 1 . . . . . 17 ILE HD1 . 21079 1
144 . 1 1 17 17 ILE HG12 H 1 1.57 0.02 . 2 . . . . . 17 ILE HG12 . 21079 1
145 . 1 1 17 17 ILE HG13 H 1 1.19 0.02 . 2 . . . . . 17 ILE HG13 . 21079 1
146 . 1 1 17 17 ILE HG21 H 1 0.98 0.02 . 1 . . . . . 17 ILE HG2 . 21079 1
147 . 1 1 17 17 ILE HG22 H 1 0.98 0.02 . 1 . . . . . 17 ILE HG2 . 21079 1
148 . 1 1 17 17 ILE HG23 H 1 0.98 0.02 . 1 . . . . . 17 ILE HG2 . 21079 1
149 . 1 1 17 17 ILE CA C 13 56.88 0.08 . 1 . . . . . 17 ILE CA . 21079 1
150 . 1 1 17 17 ILE CB C 13 39.35 0.08 . 1 . . . . . 17 ILE CB . 21079 1
151 . 1 1 17 17 ILE CD1 C 13 12.97 0.08 . 1 . . . . . 17 ILE CD1 . 21079 1
152 . 1 1 17 17 ILE CG1 C 13 26.75 0.08 . 1 . . . . . 17 ILE CG1 . 21079 1
153 . 1 1 17 17 ILE CG2 C 13 17.45 0.08 . 1 . . . . . 17 ILE CG2 . 21079 1
stop_
save_