Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 4595
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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_1 . 4595 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 MET HA H 1 4.42 . . 1 . . . . . . . . 4595 1
2 . 1 1 1 1 MET HB2 H 1 2.66 . . 4 . . . . . . . . 4595 1
3 . 1 1 1 1 MET HB3 H 1 2.64 . . 4 . . . . . . . . 4595 1
4 . 1 1 1 1 MET HG2 H 1 2.20 . . 4 . . . . . . . . 4595 1
5 . 1 1 2 2 PRO HA H 1 4.52 . . 1 . . . . . . . . 4595 1
6 . 1 1 2 2 PRO HB2 H 1 2.40 . . 4 . . . . . . . . 4595 1
7 . 1 1 2 2 PRO HG2 H 1 2.04 . . 4 . . . . . . . . 4595 1
8 . 1 1 2 2 PRO HG3 H 1 2.10 . . 4 . . . . . . . . 4595 1
9 . 1 1 2 2 PRO HD2 H 1 3.97 . . 2 . . . . . . . . 4595 1
10 . 1 1 2 2 PRO HD3 H 1 3.63 . . 2 . . . . . . . . 4595 1
11 . 1 1 3 3 GLY H H 1 8.47 . . 1 . . . . . . . . 4595 1
12 . 1 1 3 3 GLY HA2 H 1 3.99 . . 2 . . . . . . . . 4595 1
13 . 1 1 4 4 THR H H 1 7.78 . . 1 . . . . . . . . 4595 1
14 . 1 1 4 4 THR HA H 1 4.00 . . 1 . . . . . . . . 4595 1
15 . 1 1 4 4 THR HB H 1 4.30 . . 1 . . . . . . . . 4595 1
16 . 1 1 4 4 THR HG21 H 1 1.56 . . 1 . . . . . . . . 4595 1
17 . 1 1 4 4 THR HG22 H 1 1.56 . . 1 . . . . . . . . 4595 1
18 . 1 1 4 4 THR HG23 H 1 1.56 . . 1 . . . . . . . . 4595 1
19 . 1 1 5 5 ILE H H 1 7.78 . . 1 . . . . . . . . 4595 1
20 . 1 1 5 5 ILE HA H 1 4.30 . . 1 . . . . . . . . 4595 1
21 . 1 1 5 5 ILE HB H 1 1.90 . . 4 . . . . . . . . 4595 1
22 . 1 1 5 5 ILE HG12 H 1 1.24 . . 4 . . . . . . . . 4595 1
23 . 1 1 5 5 ILE HG21 H 1 0.96 . . 1 . . . . . . . . 4595 1
24 . 1 1 5 5 ILE HG22 H 1 0.96 . . 1 . . . . . . . . 4595 1
25 . 1 1 5 5 ILE HG23 H 1 0.96 . . 1 . . . . . . . . 4595 1
26 . 1 1 5 5 ILE HD11 H 1 0.89 . . 1 . . . . . . . . 4595 1
27 . 1 1 5 5 ILE HD12 H 1 0.89 . . 1 . . . . . . . . 4595 1
28 . 1 1 5 5 ILE HD13 H 1 0.89 . . 1 . . . . . . . . 4595 1
29 . 1 1 6 6 LYS H H 1 7.85 . . 1 . . . . . . . . 4595 1
30 . 1 1 6 6 LYS HA H 1 4.31 . . 1 . . . . . . . . 4595 1
31 . 1 1 6 6 LYS HB2 H 1 1.82 . . 4 . . . . . . . . 4595 1
32 . 1 1 6 6 LYS HG2 H 1 1.39 . . 4 . . . . . . . . 4595 1
33 . 1 1 7 7 GLU H H 1 7.97 . . 1 . . . . . . . . 4595 1
34 . 1 1 7 7 GLU HA H 1 4.07 . . 1 . . . . . . . . 4595 1
35 . 1 1 7 7 GLU HB2 H 1 2.47 . . 4 . . . . . . . . 4595 1
36 . 1 1 7 7 GLU HG2 H 1 2.10 . . 4 . . . . . . . . 4595 1
37 . 1 1 8 8 ASN H H 1 8.03 . . 1 . . . . . . . . 4595 1
38 . 1 1 8 8 ASN HA H 1 4.59 . . 1 . . . . . . . . 4595 1
39 . 1 1 8 8 ASN HB2 H 1 2.93 . . 2 . . . . . . . . 4595 1
40 . 1 1 8 8 ASN HB3 H 1 2.81 . . 2 . . . . . . . . 4595 1
41 . 1 1 8 8 ASN HD21 H 1 7.19 . . 2 . . . . . . . . 4595 1
42 . 1 1 8 8 ASN HD22 H 1 6.68 . . 2 . . . . . . . . 4595 1
43 . 1 1 9 9 ILE H H 1 8.09 . . 1 . . . . . . . . 4595 1
44 . 1 1 9 9 ILE HA H 1 3.87 . . 1 . . . . . . . . 4595 1
45 . 1 1 9 9 ILE HB H 1 1.96 . . 1 . . . . . . . . 4595 1
46 . 1 1 9 9 ILE HG12 H 1 1.17 . . 2 . . . . . . . . 4595 1
47 . 1 1 9 9 ILE HG13 H 1 1.66 . . 2 . . . . . . . . 4595 1
48 . 1 1 9 9 ILE HG21 H 1 0.90 . . 1 . . . . . . . . 4595 1
49 . 1 1 9 9 ILE HG22 H 1 0.90 . . 1 . . . . . . . . 4595 1
50 . 1 1 9 9 ILE HG23 H 1 0.90 . . 1 . . . . . . . . 4595 1
51 . 1 1 9 9 ILE HD11 H 1 0.83 . . 1 . . . . . . . . 4595 1
52 . 1 1 9 9 ILE HD12 H 1 0.83 . . 1 . . . . . . . . 4595 1
53 . 1 1 9 9 ILE HD13 H 1 0.83 . . 1 . . . . . . . . 4595 1
54 . 1 1 10 10 ILE H H 1 8.12 . . 1 . . . . . . . . 4595 1
55 . 1 1 10 10 ILE HA H 1 4.05 . . 1 . . . . . . . . 4595 1
56 . 1 1 10 10 ILE HB H 1 1.90 . . 1 . . . . . . . . 4595 1
57 . 1 1 10 10 ILE HG12 H 1 1.15 . . 2 . . . . . . . . 4595 1
58 . 1 1 10 10 ILE HG21 H 1 0.94 . . 1 . . . . . . . . 4595 1
59 . 1 1 10 10 ILE HG22 H 1 0.94 . . 1 . . . . . . . . 4595 1
60 . 1 1 10 10 ILE HG23 H 1 0.94 . . 1 . . . . . . . . 4595 1
61 . 1 1 10 10 ILE HD11 H 1 0.87 . . 1 . . . . . . . . 4595 1
62 . 1 1 10 10 ILE HD12 H 1 0.87 . . 1 . . . . . . . . 4595 1
63 . 1 1 10 10 ILE HD13 H 1 0.87 . . 1 . . . . . . . . 4595 1
64 . 1 1 11 11 GLY H H 1 8.08 . . 1 . . . . . . . . 4595 1
65 . 1 1 11 11 GLY HA2 H 1 3.87 . . 2 . . . . . . . . 4595 1
66 . 1 1 11 11 GLY HA3 H 1 3.93 . . 2 . . . . . . . . 4595 1
67 . 1 1 12 12 VAL H H 1 8.17 . . 1 . . . . . . . . 4595 1
68 . 1 1 12 12 VAL HA H 1 3.90 . . 1 . . . . . . . . 4595 1
69 . 1 1 12 12 VAL HB H 1 2.15 . . 1 . . . . . . . . 4595 1
70 . 1 1 12 12 VAL HG11 H 1 1.17 . . 2 . . . . . . . . 4595 1
71 . 1 1 12 12 VAL HG12 H 1 1.17 . . 2 . . . . . . . . 4595 1
72 . 1 1 12 12 VAL HG13 H 1 1.17 . . 2 . . . . . . . . 4595 1
73 . 1 1 12 12 VAL HG21 H 1 0.97 . . 2 . . . . . . . . 4595 1
74 . 1 1 12 12 VAL HG22 H 1 0.97 . . 2 . . . . . . . . 4595 1
75 . 1 1 12 12 VAL HG23 H 1 0.97 . . 2 . . . . . . . . 4595 1
76 . 1 1 13 13 SER H H 1 8.12 . . 1 . . . . . . . . 4595 1
77 . 1 1 13 13 SER HA H 1 4.26 . . 4 . . . . . . . . 4595 1
78 . 1 1 13 13 SER HB2 H 1 4.11 . . 4 . . . . . . . . 4595 1
79 . 1 1 13 13 SER HB3 H 1 3.93 . . 4 . . . . . . . . 4595 1
80 . 1 1 14 14 TYR H H 1 8.50 . . 1 . . . . . . . . 4595 1
81 . 1 1 14 14 TYR HA H 1 4.35 . . 1 . . . . . . . . 4595 1
82 . 1 1 14 14 TYR HB2 H 1 3.16 . . 2 . . . . . . . . 4595 1
83 . 1 1 14 14 TYR HD1 H 1 7.15 . . 1 . . . . . . . . 4595 1
84 . 1 1 14 14 TYR HD2 H 1 7.15 . . 1 . . . . . . . . 4595 1
85 . 1 1 14 14 TYR HE1 H 1 6.79 . . 1 . . . . . . . . 4595 1
86 . 1 1 14 14 TYR HE2 H 1 6.79 . . 1 . . . . . . . . 4595 1
87 . 1 1 15 15 ASP H H 1 8.34 . . 1 . . . . . . . . 4595 1
88 . 1 1 15 15 ASP HA H 1 4.36 . . 1 . . . . . . . . 4595 1
89 . 1 1 15 15 ASP HB2 H 1 2.86 . . 2 . . . . . . . . 4595 1
90 . 1 1 15 15 ASP HB3 H 1 2.83 . . 2 . . . . . . . . 4595 1
91 . 1 1 16 16 GLU H H 1 8.44 . . 1 . . . . . . . . 4595 1
92 . 1 1 16 16 GLU HA H 1 4.08 . . 1 . . . . . . . . 4595 1
93 . 1 1 16 16 GLU HB2 H 1 2.24 . . 4 . . . . . . . . 4595 1
94 . 1 1 16 16 GLU HB3 H 1 2.09 . . 4 . . . . . . . . 4595 1
95 . 1 1 16 16 GLU HG2 H 1 2.61 . . 4 . . . . . . . . 4595 1
96 . 1 1 16 16 GLU HG3 H 1 2.40 . . 4 . . . . . . . . 4595 1
97 . 1 1 17 17 TYR H H 1 8.13 . . 1 . . . . . . . . 4595 1
98 . 1 1 17 17 TYR HA H 1 4.20 . . 1 . . . . . . . . 4595 1
99 . 1 1 17 17 TYR HB2 H 1 3.13 . . 2 . . . . . . . . 4595 1
100 . 1 1 17 17 TYR HD1 H 1 7.00 . . 1 . . . . . . . . 4595 1
101 . 1 1 17 17 TYR HD2 H 1 7.00 . . 1 . . . . . . . . 4595 1
102 . 1 1 17 17 TYR HE1 H 1 6.78 . . 1 . . . . . . . . 4595 1
103 . 1 1 17 17 TYR HE2 H 1 6.78 . . 1 . . . . . . . . 4595 1
104 . 1 1 18 18 ARG HA H 1 3.77 . . 1 . . . . . . . . 4595 1
105 . 1 1 18 18 ARG HB2 H 1 1.66 . . 4 . . . . . . . . 4595 1
106 . 1 1 18 18 ARG HG2 H 1 1.42 . . 4 . . . . . . . . 4595 1
107 . 1 1 18 18 ARG HG3 H 1 1.35 . . 4 . . . . . . . . 4595 1
108 . 1 1 18 18 ARG H H 1 8.30 . . 1 . . . . . . . . 4595 1
109 . 1 1 19 19 TYR H H 1 8.07 . . 1 . . . . . . . . 4595 1
110 . 1 1 19 19 TYR HA H 1 4.33 . . 1 . . . . . . . . 4595 1
111 . 1 1 19 19 TYR HB2 H 1 3.13 . . 2 . . . . . . . . 4595 1
112 . 1 1 19 19 TYR HB3 H 1 3.04 . . 2 . . . . . . . . 4595 1
113 . 1 1 19 19 TYR HD1 H 1 7.06 . . 1 . . . . . . . . 4595 1
114 . 1 1 19 19 TYR HD2 H 1 7.06 . . 1 . . . . . . . . 4595 1
115 . 1 1 19 19 TYR HE1 H 1 6.76 . . 1 . . . . . . . . 4595 1
116 . 1 1 19 19 TYR HE2 H 1 6.76 . . 1 . . . . . . . . 4595 1
117 . 1 1 20 20 ARG H H 1 7.99 . . 1 . . . . . . . . 4595 1
118 . 1 1 20 20 ARG HA H 1 4.04 . . 1 . . . . . . . . 4595 1
119 . 1 1 20 20 ARG HB2 H 1 1.87 . . 4 . . . . . . . . 4595 1
120 . 1 1 20 20 ARG HG2 H 1 1.67 . . 4 . . . . . . . . 4595 1
121 . 1 1 21 21 SER H H 1 7.85 . . 1 . . . . . . . . 4595 1
122 . 1 1 21 21 SER HA H 1 4.25 . . 1 . . . . . . . . 4595 1
123 . 1 1 21 21 SER HB2 H 1 3.86 . . 2 . . . . . . . . 4595 1
124 . 1 1 21 21 SER HB3 H 1 3.73 . . 2 . . . . . . . . 4595 1
125 . 1 1 22 22 VAL H H 1 7.60 . . 1 . . . . . . . . 4595 1
126 . 1 1 22 22 VAL HA H 1 4.05 . . 1 . . . . . . . . 4595 1
127 . 1 1 22 22 VAL HB H 1 2.14 . . 1 . . . . . . . . 4595 1
128 . 1 1 22 22 VAL HG11 H 1 0.96 . . 2 . . . . . . . . 4595 1
129 . 1 1 22 22 VAL HG12 H 1 0.96 . . 2 . . . . . . . . 4595 1
130 . 1 1 22 22 VAL HG13 H 1 0.96 . . 2 . . . . . . . . 4595 1
131 . 1 1 22 22 VAL HG21 H 1 0.90 . . 2 . . . . . . . . 4595 1
132 . 1 1 22 22 VAL HG22 H 1 0.90 . . 2 . . . . . . . . 4595 1
133 . 1 1 22 22 VAL HG23 H 1 0.90 . . 2 . . . . . . . . 4595 1
134 . 1 1 23 23 ILE H H 1 7.65 . . 1 . . . . . . . . 4595 1
135 . 1 1 23 23 ILE HA H 1 4.04 . . 1 . . . . . . . . 4595 1
136 . 1 1 23 23 ILE HB H 1 1.81 . . 1 . . . . . . . . 4595 1
137 . 1 1 23 23 ILE HG12 H 1 1.15 . . 2 . . . . . . . . 4595 1
138 . 1 1 23 23 ILE HG13 H 1 1.40 . . 2 . . . . . . . . 4595 1
139 . 1 1 23 23 ILE HG21 H 1 0.82 . . 1 . . . . . . . . 4595 1
140 . 1 1 23 23 ILE HG22 H 1 0.82 . . 1 . . . . . . . . 4595 1
141 . 1 1 23 23 ILE HG23 H 1 0.82 . . 1 . . . . . . . . 4595 1
142 . 1 1 23 23 ILE HD11 H 1 0.78 . . 1 . . . . . . . . 4595 1
143 . 1 1 23 23 ILE HD12 H 1 0.78 . . 1 . . . . . . . . 4595 1
144 . 1 1 23 23 ILE HD13 H 1 0.78 . . 1 . . . . . . . . 4595 1
145 . 1 1 24 24 LYS H H 1 7.84 . . 1 . . . . . . . . 4595 1
146 . 1 1 24 24 LYS HA H 1 4.04 . . 1 . . . . . . . . 4595 1
147 . 1 1 24 24 LYS HB2 H 1 1.83 . . 4 . . . . . . . . 4595 1
148 . 1 1 24 24 LYS HG2 H 1 1.67 . . 4 . . . . . . . . 4595 1
149 . 1 1 24 24 LYS HG3 H 1 1.47 . . 4 . . . . . . . . 4595 1
150 . 1 1 24 24 LYS HE2 H 1 2.96 . . 3 . . . . . . . . 4595 1
151 . 1 1 25 25 ALA H H 1 7.85 . . 1 . . . . . . . . 4595 1
152 . 1 1 25 25 ALA HA H 1 4.28 . . 1 . . . . . . . . 4595 1
153 . 1 1 25 25 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 4595 1
154 . 1 1 25 25 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 4595 1
155 . 1 1 25 25 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 4595 1
stop_
save_