Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"
save_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one'
_Assigned_chem_shift_list.Entry_ID 2279
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_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 $sample_one . 2279 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 ILE HA H 1 4.15 . . 1 . . . . . . . . 2279 1
2 . 1 1 1 1 ILE HB H 1 2.14 . . 1 . . . . . . . . 2279 1
3 . 1 1 1 1 ILE HG12 H 1 1.57 . . 2 . . . . . . . . 2279 1
4 . 1 1 1 1 ILE HG13 H 1 1.31 . . 2 . . . . . . . . 2279 1
5 . 1 1 1 1 ILE HG21 H 1 1.12 . . 1 . . . . . . . . 2279 1
6 . 1 1 1 1 ILE HG22 H 1 1.12 . . 1 . . . . . . . . 2279 1
7 . 1 1 1 1 ILE HG23 H 1 1.12 . . 1 . . . . . . . . 2279 1
8 . 1 1 1 1 ILE HD11 H 1 .99 . . 1 . . . . . . . . 2279 1
9 . 1 1 1 1 ILE HD12 H 1 .99 . . 1 . . . . . . . . 2279 1
10 . 1 1 1 1 ILE HD13 H 1 .99 . . 1 . . . . . . . . 2279 1
11 . 1 1 2 2 dzAbu H H 1 10.08 . . 1 . . . . . . . . 2279 1
12 . 1 1 2 2 dzAbu HB H 1 6.63 . . 1 . . . . . . . . 2279 1
13 . 1 1 2 2 dzAbu HG H 1 1.85 . . 1 . . . . . . . . 2279 1
14 . 1 1 3 3 Lan_DA H H 1 8.42 . . 1 . . . . . . . . 2279 1
15 . 1 1 3 3 Lan_DA HA H 1 4.61 . . 1 . . . . . . . . 2279 1
16 . 1 1 4 4 ILE H H 1 7.91 . . 1 . . . . . . . . 2279 1
17 . 1 1 4 4 ILE HA H 1 4.38 . . 1 . . . . . . . . 2279 1
18 . 1 1 4 4 ILE HB H 1 2.11 . . 1 . . . . . . . . 2279 1
19 . 1 1 4 4 ILE HG12 H 1 1.4 . . 2 . . . . . . . . 2279 1
20 . 1 1 4 4 ILE HG13 H 1 1.19 . . 2 . . . . . . . . 2279 1
21 . 1 1 4 4 ILE HG21 H 1 .95 . . 1 . . . . . . . . 2279 1
22 . 1 1 4 4 ILE HG22 H 1 .95 . . 1 . . . . . . . . 2279 1
23 . 1 1 4 4 ILE HG23 H 1 .95 . . 1 . . . . . . . . 2279 1
24 . 1 1 4 4 ILE HD11 H 1 .86 . . 1 . . . . . . . . 2279 1
25 . 1 1 4 4 ILE HD12 H 1 .86 . . 1 . . . . . . . . 2279 1
26 . 1 1 4 4 ILE HD13 H 1 .86 . . 1 . . . . . . . . 2279 1
27 . 1 1 5 5 Delta_A H H 1 10.11 . . 1 . . . . . . . . 2279 1
28 . 1 1 6 6 LEU H H 1 9.14 . . 1 . . . . . . . . 2279 1
29 . 1 1 6 6 LEU HA H 1 4.45 . . 1 . . . . . . . . 2279 1
30 . 1 1 6 6 LEU HB2 H 1 1.76 . . 1 . . . . . . . . 2279 1
31 . 1 1 6 6 LEU HB3 H 1 1.76 . . 1 . . . . . . . . 2279 1
32 . 1 1 6 6 LEU HG H 1 1.69 . . 1 . . . . . . . . 2279 1
33 . 1 1 6 6 LEU HD11 H 1 .94 . . 1 . . . . . . . . 2279 1
34 . 1 1 6 6 LEU HD12 H 1 .94 . . 1 . . . . . . . . 2279 1
35 . 1 1 6 6 LEU HD13 H 1 .94 . . 1 . . . . . . . . 2279 1
36 . 1 1 6 6 LEU HD21 H 1 .94 . . 1 . . . . . . . . 2279 1
37 . 1 1 6 6 LEU HD22 H 1 .94 . . 1 . . . . . . . . 2279 1
38 . 1 1 6 6 LEU HD23 H 1 .94 . . 1 . . . . . . . . 2279 1
39 . 1 1 7 7 Lan_LA H H 1 8.33 . . 1 . . . . . . . . 2279 1
40 . 1 1 7 7 Lan_LA HA H 1 4.52 . . 1 . . . . . . . . 2279 1
41 . 1 1 8 8 MeLanDAb HG H 1 1.32 . . 1 . . . . . . . . 2279 1
42 . 1 1 8 8 MeLanDAb HB H 1 3.62 . . 1 . . . . . . . . 2279 1
43 . 1 1 8 8 MeLanDAb HA H 1 5.16 . . 1 . . . . . . . . 2279 1
44 . 1 1 8 8 MeLanDAb H H 1 9.04 . . 1 . . . . . . . . 2279 1
45 . 1 1 9 9 PRO HA H 1 4.46 . . 1 . . . . . . . . 2279 1
46 . 1 1 9 9 PRO HB2 H 1 2.5 . . 2 . . . . . . . . 2279 1
47 . 1 1 9 9 PRO HB3 H 1 1.82 . . 2 . . . . . . . . 2279 1
48 . 1 1 9 9 PRO HG2 H 1 2.2 . . 2 . . . . . . . . 2279 1
49 . 1 1 9 9 PRO HG3 H 1 1.97 . . 2 . . . . . . . . 2279 1
50 . 1 1 9 9 PRO HD2 H 1 3.46 . . 1 . . . . . . . . 2279 1
51 . 1 1 9 9 PRO HD3 H 1 3.46 . . 1 . . . . . . . . 2279 1
52 . 1 1 10 10 GLY H H 1 8.74 . . 1 . . . . . . . . 2279 1
53 . 1 1 10 10 GLY HA2 H 1 3.53 . . 2 . . . . . . . . 2279 1
54 . 1 1 10 10 GLY HA3 H 1 4.48 . . 2 . . . . . . . . 2279 1
55 . 1 1 11 11 MeLan_LA HA H 1 4.04 . . 1 . . . . . . . . 2279 1
56 . 1 1 11 11 MeLan_LA H H 1 7.92 . . 1 . . . . . . . . 2279 1
57 . 1 1 12 12 LYS H H 1 8.8 . . 1 . . . . . . . . 2279 1
58 . 1 1 12 12 LYS HA H 1 4.32 . . 1 . . . . . . . . 2279 1
59 . 1 1 12 12 LYS HB2 H 1 1.82 . . 2 . . . . . . . . 2279 1
60 . 1 1 12 12 LYS HB3 H 1 1.73 . . 2 . . . . . . . . 2279 1
61 . 1 1 12 12 LYS HG2 H 1 1.39 . . 1 . . . . . . . . 2279 1
62 . 1 1 12 12 LYS HG3 H 1 1.39 . . 1 . . . . . . . . 2279 1
63 . 1 1 12 12 LYS HD2 H 1 1.54 . . 1 . . . . . . . . 2279 1
64 . 1 1 12 12 LYS HD3 H 1 1.54 . . 1 . . . . . . . . 2279 1
65 . 1 1 12 12 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 2279 1
66 . 1 1 12 12 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 2279 1
67 . 1 1 12 12 LYS HZ1 H 1 7.65 . . 1 . . . . . . . . 2279 1
68 . 1 1 12 12 LYS HZ2 H 1 7.65 . . 1 . . . . . . . . 2279 1
69 . 1 1 12 12 LYS HZ3 H 1 7.65 . . 1 . . . . . . . . 2279 1
70 . 1 1 13 13 MeLanDAb HG H 1 1.36 . . 1 . . . . . . . . 2279 1
71 . 1 1 13 13 MeLanDAb HB H 1 3.67 . . 1 . . . . . . . . 2279 1
72 . 1 1 13 13 MeLanDAb HA H 1 4.62 . . 1 . . . . . . . . 2279 1
73 . 1 1 13 13 MeLanDAb H H 1 8.63 . . 1 . . . . . . . . 2279 1
74 . 1 1 14 14 GLY H H 1 8.35 . . 1 . . . . . . . . 2279 1
75 . 1 1 14 14 GLY HA2 H 1 4.08 . . 2 . . . . . . . . 2279 1
76 . 1 1 14 14 GLY HA3 H 1 4.18 . . 2 . . . . . . . . 2279 1
77 . 1 1 15 15 ALA H H 1 8.77 . . 1 . . . . . . . . 2279 1
78 . 1 1 15 15 ALA HA H 1 4.24 . . 1 . . . . . . . . 2279 1
79 . 1 1 15 15 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 2279 1
80 . 1 1 15 15 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 2279 1
81 . 1 1 15 15 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 2279 1
82 . 1 1 16 16 LEU H H 1 8.66 . . 1 . . . . . . . . 2279 1
83 . 1 1 16 16 LEU HA H 1 4.36 . . 1 . . . . . . . . 2279 1
84 . 1 1 16 16 LEU HB2 H 1 1.78 . . 1 . . . . . . . . 2279 1
85 . 1 1 16 16 LEU HB3 H 1 1.78 . . 1 . . . . . . . . 2279 1
86 . 1 1 16 16 LEU HG H 1 1.67 . . 1 . . . . . . . . 2279 1
87 . 1 1 16 16 LEU HD11 H 1 .91 . . 1 . . . . . . . . 2279 1
88 . 1 1 16 16 LEU HD12 H 1 .91 . . 1 . . . . . . . . 2279 1
89 . 1 1 16 16 LEU HD13 H 1 .91 . . 1 . . . . . . . . 2279 1
90 . 1 1 16 16 LEU HD21 H 1 .91 . . 1 . . . . . . . . 2279 1
91 . 1 1 16 16 LEU HD22 H 1 .91 . . 1 . . . . . . . . 2279 1
92 . 1 1 16 16 LEU HD23 H 1 .91 . . 1 . . . . . . . . 2279 1
93 . 1 1 17 17 MET H H 1 7.85 . . 1 . . . . . . . . 2279 1
94 . 1 1 17 17 MET HA H 1 4.71 . . 1 . . . . . . . . 2279 1
95 . 1 1 17 17 MET HB2 H 1 2.34 . . 2 . . . . . . . . 2279 1
96 . 1 1 17 17 MET HB3 H 1 2.13 . . 2 . . . . . . . . 2279 1
97 . 1 1 17 17 MET HG2 H 1 2.64 . . 2 . . . . . . . . 2279 1
98 . 1 1 17 17 MET HG3 H 1 2.43 . . 2 . . . . . . . . 2279 1
99 . 1 1 18 18 GLY H H 1 8.2 . . 1 . . . . . . . . 2279 1
100 . 1 1 18 18 GLY HA2 H 1 3.85 . . 2 . . . . . . . . 2279 1
101 . 1 1 18 18 GLY HA3 H 1 4.11 . . 2 . . . . . . . . 2279 1
102 . 1 1 19 19 MeLan_LA HA H 1 4.51 . . 1 . . . . . . . . 2279 1
103 . 1 1 19 19 MeLan_LA H H 1 7.74 . . 1 . . . . . . . . 2279 1
104 . 1 1 20 20 ASN H H 1 8.7 . . 1 . . . . . . . . 2279 1
105 . 1 1 20 20 ASN HA H 1 4.66 . . 1 . . . . . . . . 2279 1
106 . 1 1 20 20 ASN HB2 H 1 2.86 . . 2 . . . . . . . . 2279 1
107 . 1 1 20 20 ASN HB3 H 1 2.82 . . 2 . . . . . . . . 2279 1
108 . 1 1 20 20 ASN HD21 H 1 7.72 . . 2 . . . . . . . . 2279 1
109 . 1 1 20 20 ASN HD22 H 1 7.05 . . 2 . . . . . . . . 2279 1
110 . 1 1 21 21 MET H H 1 8.45 . . 1 . . . . . . . . 2279 1
111 . 1 1 21 21 MET HA H 1 4.52 . . 1 . . . . . . . . 2279 1
112 . 1 1 21 21 MET HB2 H 1 2.16 . . 2 . . . . . . . . 2279 1
113 . 1 1 21 21 MET HB3 H 1 2.01 . . 2 . . . . . . . . 2279 1
114 . 1 1 21 21 MET HG2 H 1 2.63 . . 2 . . . . . . . . 2279 1
115 . 1 1 21 21 MET HG3 H 1 2.53 . . 2 . . . . . . . . 2279 1
116 . 1 1 22 22 LYS H H 1 8.58 . . 1 . . . . . . . . 2279 1
117 . 1 1 22 22 LYS HA H 1 4.31 . . 1 . . . . . . . . 2279 1
118 . 1 1 22 22 LYS HB2 H 1 1.87 . . 2 . . . . . . . . 2279 1
119 . 1 1 22 22 LYS HB3 H 1 1.74 . . 2 . . . . . . . . 2279 1
120 . 1 1 22 22 LYS HG2 H 1 1.45 . . 1 . . . . . . . . 2279 1
121 . 1 1 22 22 LYS HG3 H 1 1.45 . . 1 . . . . . . . . 2279 1
122 . 1 1 22 22 LYS HD2 H 1 1.53 . . 1 . . . . . . . . 2279 1
123 . 1 1 22 22 LYS HD3 H 1 1.53 . . 1 . . . . . . . . 2279 1
124 . 1 1 22 22 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 2279 1
125 . 1 1 22 22 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 2279 1
126 . 1 1 22 22 LYS HZ1 H 1 7.64 . . 1 . . . . . . . . 2279 1
127 . 1 1 22 22 LYS HZ2 H 1 7.64 . . 1 . . . . . . . . 2279 1
128 . 1 1 22 22 LYS HZ3 H 1 7.64 . . 1 . . . . . . . . 2279 1
129 . 1 1 23 23 MeLanDAb HG H 1 1.37 . . 1 . . . . . . . . 2279 1
130 . 1 1 23 23 MeLanDAb HB H 1 3.58 . . 1 . . . . . . . . 2279 1
131 . 1 1 23 23 MeLanDAb HA H 1 5.13 . . 1 . . . . . . . . 2279 1
132 . 1 1 23 23 MeLanDAb H H 1 9.01 . . 1 . . . . . . . . 2279 1
133 . 1 1 24 24 ALA H H 1 8.34 . . 1 . . . . . . . . 2279 1
134 . 1 1 24 24 ALA HA H 1 4.65 . . 1 . . . . . . . . 2279 1
135 . 1 1 24 24 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 2279 1
136 . 1 1 24 24 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 2279 1
137 . 1 1 24 24 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 2279 1
138 . 1 1 25 25 MeLanDAb HG H 1 1.47 . . 1 . . . . . . . . 2279 1
139 . 1 1 25 25 MeLanDAb HB H 1 3.55 . . 1 . . . . . . . . 2279 1
140 . 1 1 25 25 MeLanDAb HA H 1 4.77 . . 1 . . . . . . . . 2279 1
141 . 1 1 25 25 MeLanDAb H H 1 9.32 . . 1 . . . . . . . . 2279 1
142 . 1 1 26 26 MeLan_LA HA H 1 3.86 . . 1 . . . . . . . . 2279 1
143 . 1 1 26 26 MeLan_LA H H 1 7.9 . . 1 . . . . . . . . 2279 1
144 . 1 1 27 27 HIS H H 1 8.86 . . 1 . . . . . . . . 2279 1
145 . 1 1 27 27 HIS HB2 H 1 3.38 . . 2 . . . . . . . . 2279 1
146 . 1 1 27 27 HIS HB3 H 1 3.08 . . 2 . . . . . . . . 2279 1
147 . 1 1 27 27 HIS HD2 H 1 8.65 . . 1 . . . . . . . . 2279 1
148 . 1 1 27 27 HIS HE1 H 1 7.35 . . 1 . . . . . . . . 2279 1
149 . 1 1 28 28 MeLan_LA HA H 1 4.44 . . 1 . . . . . . . . 2279 1
150 . 1 1 28 28 MeLan_LA H H 1 8.04 . . 1 . . . . . . . . 2279 1
151 . 1 1 29 29 SER H H 1 8.6 . . 1 . . . . . . . . 2279 1
152 . 1 1 29 29 SER HA H 1 4.48 . . 1 . . . . . . . . 2279 1
153 . 1 1 29 29 SER HB2 H 1 3.86 . . 1 . . . . . . . . 2279 1
154 . 1 1 29 29 SER HB3 H 1 3.86 . . 1 . . . . . . . . 2279 1
155 . 1 1 30 30 ILE H H 1 8.33 . . 1 . . . . . . . . 2279 1
156 . 1 1 30 30 ILE HA H 1 4.19 . . 1 . . . . . . . . 2279 1
157 . 1 1 30 30 ILE HB H 1 1.86 . . 1 . . . . . . . . 2279 1
158 . 1 1 30 30 ILE HG12 H 1 1.4 . . 2 . . . . . . . . 2279 1
159 . 1 1 30 30 ILE HG13 H 1 1.18 . . 2 . . . . . . . . 2279 1
160 . 1 1 30 30 ILE HG21 H 1 .87 . . 1 . . . . . . . . 2279 1
161 . 1 1 30 30 ILE HG22 H 1 .87 . . 1 . . . . . . . . 2279 1
162 . 1 1 30 30 ILE HG23 H 1 .87 . . 1 . . . . . . . . 2279 1
163 . 1 1 30 30 ILE HD11 H 1 .86 . . 1 . . . . . . . . 2279 1
164 . 1 1 30 30 ILE HD12 H 1 .86 . . 1 . . . . . . . . 2279 1
165 . 1 1 30 30 ILE HD13 H 1 .86 . . 1 . . . . . . . . 2279 1
166 . 1 1 31 31 HIS H H 1 8.82 . . 1 . . . . . . . . 2279 1
167 . 1 1 31 31 HIS HA H 1 4.78 . . 1 . . . . . . . . 2279 1
168 . 1 1 31 31 HIS HB2 H 1 3.23 . . 2 . . . . . . . . 2279 1
169 . 1 1 31 31 HIS HB3 H 1 3.18 . . 2 . . . . . . . . 2279 1
170 . 1 1 31 31 HIS HD2 H 1 8.62 . . 1 . . . . . . . . 2279 1
171 . 1 1 31 31 HIS HE1 H 1 7.3 . . 1 . . . . . . . . 2279 1
172 . 1 1 32 32 VAL H H 1 8.5 . . 1 . . . . . . . . 2279 1
173 . 1 1 32 32 VAL HA H 1 4.18 . . 1 . . . . . . . . 2279 1
174 . 1 1 32 32 VAL HB H 1 2.09 . . 1 . . . . . . . . 2279 1
175 . 1 1 32 32 VAL HG11 H 1 .97 . . 1 . . . . . . . . 2279 1
176 . 1 1 32 32 VAL HG12 H 1 .97 . . 1 . . . . . . . . 2279 1
177 . 1 1 32 32 VAL HG13 H 1 .97 . . 1 . . . . . . . . 2279 1
178 . 1 1 32 32 VAL HG21 H 1 .97 . . 1 . . . . . . . . 2279 1
179 . 1 1 32 32 VAL HG22 H 1 .97 . . 1 . . . . . . . . 2279 1
180 . 1 1 32 32 VAL HG23 H 1 .97 . . 1 . . . . . . . . 2279 1
181 . 1 1 33 33 Delta_A H H 1 9.84 . . 1 . . . . . . . . 2279 1
182 . 1 1 33 33 Delta_A HBC H 1 5.73 . . 1 . . . . . . . . 2279 1
183 . 1 1 33 33 Delta_A HBT H 1 5.73 . . 1 . . . . . . . . 2279 1
184 . 1 1 34 34 LYS H H 1 8.34 . . 1 . . . . . . . . 2279 1
185 . 1 1 34 34 LYS HA H 1 4.32 . . 1 . . . . . . . . 2279 1
186 . 1 1 34 34 LYS HB2 H 1 1.85 . . 2 . . . . . . . . 2279 1
187 . 1 1 34 34 LYS HB3 H 1 1.74 . . 2 . . . . . . . . 2279 1
188 . 1 1 34 34 LYS HG2 H 1 1.37 . . 1 . . . . . . . . 2279 1
189 . 1 1 34 34 LYS HG3 H 1 1.37 . . 1 . . . . . . . . 2279 1
190 . 1 1 34 34 LYS HD2 H 1 1.48 . . 1 . . . . . . . . 2279 1
191 . 1 1 34 34 LYS HD3 H 1 1.48 . . 1 . . . . . . . . 2279 1
192 . 1 1 34 34 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 2279 1
193 . 1 1 34 34 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 2279 1
194 . 1 1 34 34 LYS HZ1 H 1 7.65 . . 1 . . . . . . . . 2279 1
195 . 1 1 34 34 LYS HZ2 H 1 7.65 . . 1 . . . . . . . . 2279 1
196 . 1 1 34 34 LYS HZ3 H 1 7.65 . . 1 . . . . . . . . 2279 1
stop_
save_