Content for NMR-STAR saveframe, "assigned_chem_shift_list_2"
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 26661
_Assigned_chem_shift_list.ID 2
_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 .
_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 1H-15N HSQC' . . . 26661 2
2 '2D 1H-13C HSQC aromatic' . . . 26661 2
3 '3D CBCA(CO)NH' . . . 26661 2
4 '3D C(CO)NH' . . . 26661 2
5 '3D HNCO' . . . 26661 2
6 '3D HNCA' . . . 26661 2
7 '3D HNCACB' . . . 26661 2
8 '3D H(CCO)NH' . . . 26661 2
9 '3D HCCH-TOCSY' . . . 26661 2
10 '3D 1H-15N TOCSY' . . . 26661 2
11 '3D 1H-13C NOESY aromatic' . . . 26661 2
12 '3D HCCH-COSY' . . . 26661 2
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 13 13 LYS H H 1 7.956 . . 1 . . . . 143 K H . 26661 2
2 . 1 1 13 13 LYS HA H 1 4.587 . . 1 . . . . 143 K HA . 26661 2
3 . 1 1 13 13 LYS HB2 H 1 1.950 . . 1 . . . . 143 K HB2 . 26661 2
4 . 1 1 13 13 LYS HB3 H 1 1.855 . . 1 . . . . 143 K HB3 . 26661 2
5 . 1 1 13 13 LYS HG2 H 1 1.454 . . 1 . . . . 143 K HG2 . 26661 2
6 . 1 1 13 13 LYS HG3 H 1 1.306 . . 1 . . . . 143 K HG3 . 26661 2
7 . 1 1 13 13 LYS HD2 H 1 1.613 . . 2 . . . . 143 K HD# . 26661 2
8 . 1 1 13 13 LYS HD3 H 1 1.613 . . 2 . . . . 143 K HD# . 26661 2
9 . 1 1 13 13 LYS HE2 H 1 2.941 . . 2 . . . . 143 K HE# . 26661 2
10 . 1 1 13 13 LYS HE3 H 1 2.941 . . 2 . . . . 143 K HE# . 26661 2
11 . 1 1 13 13 LYS C C 13 174.676 . . 1 . . . . 143 K C . 26661 2
12 . 1 1 13 13 LYS CA C 13 55.702 . . 1 . . . . 143 K CA . 26661 2
13 . 1 1 13 13 LYS CB C 13 34.688 . . 1 . . . . 143 K CB . 26661 2
14 . 1 1 13 13 LYS N N 15 120.403 . . 1 . . . . 143 K N . 26661 2
15 . 1 1 14 14 VAL H H 1 8.899 . . 1 . . . . 144 V H . 26661 2
16 . 1 1 14 14 VAL HA H 1 5.860 . . 1 . . . . 144 V HA . 26661 2
17 . 1 1 14 14 VAL HB H 1 3.229 . . 1 . . . . 144 V HB . 26661 2
18 . 1 1 14 14 VAL HG11 H 1 1.298 . . 1 . . . . 144 V HG1 . 26661 2
19 . 1 1 14 14 VAL HG12 H 1 1.298 . . 1 . . . . 144 V HG1 . 26661 2
20 . 1 1 14 14 VAL HG13 H 1 1.298 . . 1 . . . . 144 V HG1 . 26661 2
21 . 1 1 14 14 VAL HG21 H 1 0.885 . . 1 . . . . 144 V HG2 . 26661 2
22 . 1 1 14 14 VAL HG22 H 1 0.885 . . 1 . . . . 144 V HG2 . 26661 2
23 . 1 1 14 14 VAL HG23 H 1 0.885 . . 1 . . . . 144 V HG2 . 26661 2
24 . 1 1 14 14 VAL CA C 13 58.527 . . 1 . . . . 144 V CA . 26661 2
25 . 1 1 14 14 VAL CB C 13 33.460 . . 1 . . . . 144 V CB . 26661 2
26 . 1 1 14 14 VAL N N 15 109.620 . . 1 . . . . 144 V N . 26661 2
27 . 1 1 16 16 ASP H H 1 9.124 . . 1 . . . . 146 D H . 26661 2
28 . 1 1 16 16 ASP HA H 1 5.342 . . 1 . . . . 146 D HA . 26661 2
29 . 1 1 16 16 ASP HB2 H 1 2.820 . . 1 . . . . 146 D HB2 . 26661 2
30 . 1 1 16 16 ASP HB3 H 1 2.615 . . 1 . . . . 146 D HB3 . 26661 2
31 . 1 1 16 16 ASP C C 13 174.405 . . 1 . . . . 146 D C . 26661 2
32 . 1 1 16 16 ASP CA C 13 53.443 . . 1 . . . . 146 D CA . 26661 2
33 . 1 1 16 16 ASP CB C 13 46.097 . . 1 . . . . 146 D CB . 26661 2
34 . 1 1 16 16 ASP N N 15 125.396 . . 1 . . . . 146 D N . 26661 2
35 . 1 1 17 17 ILE H H 1 8.444 . . 1 . . . . 147 I H . 26661 2
36 . 1 1 17 17 ILE HA H 1 2.871 . . 1 . . . . 147 I HA . 26661 2
37 . 1 1 17 17 ILE HG12 H 1 1.810 . . 1 . . . . 147 I HG1 . 26661 2
38 . 1 1 17 17 ILE HG13 H 1 1.810 . . 1 . . . . 147 I HG1 . 26661 2
39 . 1 1 17 17 ILE HG21 H 1 0.993 . . 1 . . . . 147 I HG2 . 26661 2
40 . 1 1 17 17 ILE HG22 H 1 0.993 . . 1 . . . . 147 I HG2 . 26661 2
41 . 1 1 17 17 ILE HG23 H 1 0.993 . . 1 . . . . 147 I HG2 . 26661 2
42 . 1 1 17 17 ILE HD11 H 1 0.776 . . 1 . . . . 147 I HD1 . 26661 2
43 . 1 1 17 17 ILE HD12 H 1 0.776 . . 1 . . . . 147 I HD1 . 26661 2
44 . 1 1 17 17 ILE HD13 H 1 0.776 . . 1 . . . . 147 I HD1 . 26661 2
45 . 1 1 17 17 ILE C C 13 175.887 . . 1 . . . . 147 I C . 26661 2
46 . 1 1 17 17 ILE CA C 13 63.070 . . 1 . . . . 147 I CA . 26661 2
47 . 1 1 17 17 ILE CB C 13 38.255 . . 1 . . . . 147 I CB . 26661 2
48 . 1 1 17 17 ILE CG2 C 13 18.743 . . 1 . . . . 147 I CG2 . 26661 2
49 . 1 1 17 17 ILE N N 15 123.300 . . 1 . . . . 147 I N . 26661 2
50 . 1 1 29 29 ILE H H 1 9.654 . . 1 . . . . 159 I H . 26661 2
51 . 1 1 29 29 ILE HA H 1 5.461 . . 1 . . . . 159 I HA . 26661 2
52 . 1 1 29 29 ILE HB H 1 2.451 . . 1 . . . . 159 I HB . 26661 2
53 . 1 1 29 29 ILE HG12 H 1 1.337 . . 1 . . . . 159 I HG1 . 26661 2
54 . 1 1 29 29 ILE HG13 H 1 1.337 . . 1 . . . . 159 I HG1 . 26661 2
55 . 1 1 29 29 ILE HG21 H 1 0.999 . . 1 . . . . 159 I HG2 . 26661 2
56 . 1 1 29 29 ILE HG22 H 1 0.999 . . 1 . . . . 159 I HG2 . 26661 2
57 . 1 1 29 29 ILE HG23 H 1 0.999 . . 1 . . . . 159 I HG2 . 26661 2
58 . 1 1 29 29 ILE HD11 H 1 0.970 . . 1 . . . . 159 I HD1 . 26661 2
59 . 1 1 29 29 ILE HD12 H 1 0.970 . . 1 . . . . 159 I HD1 . 26661 2
60 . 1 1 29 29 ILE HD13 H 1 0.970 . . 1 . . . . 159 I HD1 . 26661 2
61 . 1 1 29 29 ILE C C 13 176.724 . . 1 . . . . 159 I C . 26661 2
62 . 1 1 29 29 ILE CA C 13 59.909 . . 1 . . . . 159 I CA . 26661 2
63 . 1 1 29 29 ILE CB C 13 42.583 . . 1 . . . . 159 I CB . 26661 2
64 . 1 1 29 29 ILE N N 15 122.979 . . 1 . . . . 159 I N . 26661 2
65 . 1 1 30 30 THR H H 1 7.929 . . 1 . . . . 160 T H . 26661 2
66 . 1 1 30 30 THR HA H 1 5.684 . . 1 . . . . 160 T HA . 26661 2
67 . 1 1 30 30 THR HB H 1 4.250 . . 1 . . . . 160 T HB . 26661 2
68 . 1 1 30 30 THR HG21 H 1 1.214 . . 1 . . . . 160 T HG2 . 26661 2
69 . 1 1 30 30 THR HG22 H 1 1.214 . . 1 . . . . 160 T HG2 . 26661 2
70 . 1 1 30 30 THR HG23 H 1 1.214 . . 1 . . . . 160 T HG2 . 26661 2
71 . 1 1 30 30 THR C C 13 174.548 . . 1 . . . . 160 T C . 26661 2
72 . 1 1 30 30 THR CA C 13 59.328 . . 1 . . . . 160 T CA . 26661 2
73 . 1 1 30 30 THR CB C 13 70.036 . . 1 . . . . 160 T CB . 26661 2
74 . 1 1 30 30 THR CG2 C 13 22.471 . . 1 . . . . 160 T CG2 . 26661 2
75 . 1 1 30 30 THR N N 15 105.093 . . 1 . . . . 160 T N . 26661 2
76 . 1 1 31 31 TRP H H 1 9.358 . . 1 . . . . 161 W H . 26661 2
77 . 1 1 31 31 TRP HA H 1 4.941 . . 1 . . . . 161 W HA . 26661 2
78 . 1 1 31 31 TRP HD1 H 1 7.799 . . 1 . . . . 161 W HD1 . 26661 2
79 . 1 1 31 31 TRP HE1 H 1 10.197 . . 1 . . . . 161 W HE1 . 26661 2
80 . 1 1 31 31 TRP HZ2 H 1 7.664 . . 1 . . . . 161 W HZ2 . 26661 2
81 . 1 1 31 31 TRP HZ3 H 1 7.112 . . 1 . . . . 161 W HZ3 . 26661 2
82 . 1 1 31 31 TRP HH2 H 1 7.389 . . 1 . . . . 161 W HH2 . 26661 2
83 . 1 1 31 31 TRP C C 13 173.103 . . 1 . . . . 161 W C . 26661 2
84 . 1 1 31 31 TRP CA C 13 55.264 . . 1 . . . . 161 W CA . 26661 2
85 . 1 1 31 31 TRP CB C 13 35.605 . . 1 . . . . 161 W CB . 26661 2
86 . 1 1 31 31 TRP CD1 C 13 128.912 . . 1 . . . . 161 W CD1 . 26661 2
87 . 1 1 31 31 TRP CZ2 C 13 114.085 . . 1 . . . . 161 W CZ2 . 26661 2
88 . 1 1 31 31 TRP CZ3 C 13 121.358 . . 1 . . . . 161 W CZ3 . 26661 2
89 . 1 1 31 31 TRP CH2 C 13 125.020 . . 1 . . . . 161 W CH2 . 26661 2
90 . 1 1 31 31 TRP N N 15 124.104 . . 1 . . . . 161 W N . 26661 2
91 . 1 1 31 31 TRP NE1 N 15 131.212 . . 1 . . . . 161 W NE1 . 26661 2
92 . 1 1 32 32 ASP H H 1 6.630 . . 1 . . . . 162 D H . 26661 2
93 . 1 1 32 32 ASP HA H 1 4.454 . . 1 . . . . 162 D HA . 26661 2
94 . 1 1 32 32 ASP HB2 H 1 2.569 . . 1 . . . . 162 D HB2 . 26661 2
95 . 1 1 32 32 ASP HB3 H 1 2.082 . . 1 . . . . 162 D HB3 . 26661 2
96 . 1 1 32 32 ASP CA C 13 55.977 . . 1 . . . . 162 D CA . 26661 2
97 . 1 1 32 32 ASP CB C 13 41.289 . . 1 . . . . 162 D CB . 26661 2
98 . 1 1 32 32 ASP N N 15 125.475 . . 1 . . . . 162 D N . 26661 2
99 . 1 1 33 33 GLN C C 13 175.971 . . 1 . . . . 163 Q C . 26661 2
100 . 1 1 34 34 LYS H H 1 10.595 . . 1 . . . . 164 K H . 26661 2
101 . 1 1 34 34 LYS HA H 1 4.757 . . 1 . . . . 164 K HA . 26661 2
102 . 1 1 34 34 LYS HB2 H 1 1.754 . . 2 . . . . 164 K HB# . 26661 2
103 . 1 1 34 34 LYS HB3 H 1 1.754 . . 2 . . . . 164 K HB# . 26661 2
104 . 1 1 34 34 LYS HG2 H 1 1.516 . . 2 . . . . 164 K HG# . 26661 2
105 . 1 1 34 34 LYS HG3 H 1 1.516 . . 2 . . . . 164 K HG# . 26661 2
106 . 1 1 34 34 LYS HD2 H 1 1.658 . . 2 . . . . 164 K HD# . 26661 2
107 . 1 1 34 34 LYS HD3 H 1 1.658 . . 2 . . . . 164 K HD# . 26661 2
108 . 1 1 34 34 LYS C C 13 175.426 . . 1 . . . . 164 K C . 26661 2
109 . 1 1 34 34 LYS CA C 13 55.624 . . 1 . . . . 164 K CA . 26661 2
110 . 1 1 34 34 LYS CB C 13 34.527 . . 1 . . . . 164 K CB . 26661 2
111 . 1 1 34 34 LYS CE C 13 41.230 . . 1 . . . . 164 K CE . 26661 2
112 . 1 1 34 34 LYS N N 15 132.087 . . 1 . . . . 164 K N . 26661 2
113 . 1 1 108 108 ALA C C 13 177.390 . . 1 . . . . 238 A C . 26661 2
114 . 1 1 109 109 SER H H 1 8.765 . . 1 . . . . 239 S H . 26661 2
115 . 1 1 109 109 SER HA H 1 4.733 . . 1 . . . . 239 S HA . 26661 2
116 . 1 1 109 109 SER HB2 H 1 4.512 . . 1 . . . . 239 S HB2 . 26661 2
117 . 1 1 109 109 SER HB3 H 1 4.122 . . 1 . . . . 239 S HB3 . 26661 2
118 . 1 1 109 109 SER C C 13 174.368 . . 1 . . . . 239 S C . 26661 2
119 . 1 1 109 109 SER CA C 13 59.397 . . 1 . . . . 239 S CA . 26661 2
120 . 1 1 109 109 SER CB C 13 63.582 . . 1 . . . . 239 S CB . 26661 2
121 . 1 1 109 109 SER N N 15 117.079 . . 1 . . . . 239 S N . 26661 2
122 . 1 1 110 110 ALA H H 1 9.089 . . 1 . . . . 240 A H . 26661 2
123 . 1 1 110 110 ALA HA H 1 4.510 . . 1 . . . . 240 A HA . 26661 2
124 . 1 1 110 110 ALA HB1 H 1 1.582 . . 1 . . . . 240 A HB . 26661 2
125 . 1 1 110 110 ALA HB2 H 1 1.582 . . 1 . . . . 240 A HB . 26661 2
126 . 1 1 110 110 ALA HB3 H 1 1.582 . . 1 . . . . 240 A HB . 26661 2
127 . 1 1 110 110 ALA C C 13 176.219 . . 1 . . . . 240 A C . 26661 2
128 . 1 1 110 110 ALA CA C 13 53.237 . . 1 . . . . 240 A CA . 26661 2
129 . 1 1 110 110 ALA CB C 13 19.507 . . 1 . . . . 240 A CB . 26661 2
130 . 1 1 110 110 ALA N N 15 128.505 . . 1 . . . . 240 A N . 26661 2
131 . 1 1 111 111 HIS H H 1 8.263 . . 1 . . . . 241 H H . 26661 2
132 . 1 1 111 111 HIS HA H 1 5.396 . . 1 . . . . 241 H HA . 26661 2
133 . 1 1 111 111 HIS HB2 H 1 3.574 . . 1 . . . . 241 H HB2 . 26661 2
134 . 1 1 111 111 HIS HB3 H 1 3.380 . . 1 . . . . 241 H HB3 . 26661 2
135 . 1 1 111 111 HIS HD2 H 1 7.361 . . 1 . . . . 241 H HD2 . 26661 2
136 . 1 1 111 111 HIS HE1 H 1 8.672 . . 1 . . . . 241 H HE1 . 26661 2
137 . 1 1 111 111 HIS C C 13 172.115 . . 1 . . . . 241 H C . 26661 2
138 . 1 1 111 111 HIS CA C 13 54.253 . . 1 . . . . 241 H CA . 26661 2
139 . 1 1 111 111 HIS CB C 13 31.322 . . 1 . . . . 241 H CB . 26661 2
140 . 1 1 111 111 HIS CD2 C 13 119.542 . . 1 . . . . 241 H CD2 . 26661 2
141 . 1 1 111 111 HIS CE1 C 13 136.781 . . 1 . . . . 241 H CE1 . 26661 2
142 . 1 1 111 111 HIS N N 15 114.644 . . 1 . . . . 241 H N . 26661 2
143 . 1 1 112 112 ILE H H 1 8.276 . . 1 . . . . 242 I H . 26661 2
144 . 1 1 112 112 ILE HA H 1 5.494 . . 1 . . . . 242 I HA . 26661 2
145 . 1 1 112 112 ILE HB H 1 1.866 . . 1 . . . . 242 I HB . 26661 2
146 . 1 1 112 112 ILE HG12 H 1 1.416 . . 2 . . . . 242 I HG1# . 26661 2
147 . 1 1 112 112 ILE HG13 H 1 1.416 . . 2 . . . . 242 I HG1# . 26661 2
148 . 1 1 112 112 ILE HG21 H 1 0.963 . . 1 . . . . 242 I HG2 . 26661 2
149 . 1 1 112 112 ILE HG22 H 1 0.963 . . 1 . . . . 242 I HG2 . 26661 2
150 . 1 1 112 112 ILE HG23 H 1 0.963 . . 1 . . . . 242 I HG2 . 26661 2
151 . 1 1 112 112 ILE HD11 H 1 0.863 . . 1 . . . . 242 I HD1 . 26661 2
152 . 1 1 112 112 ILE HD12 H 1 0.863 . . 1 . . . . 242 I HD1 . 26661 2
153 . 1 1 112 112 ILE HD13 H 1 0.863 . . 1 . . . . 242 I HD1 . 26661 2
154 . 1 1 112 112 ILE C C 13 175.100 . . 1 . . . . 242 I C . 26661 2
155 . 1 1 112 112 ILE CA C 13 58.893 . . 1 . . . . 242 I CA . 26661 2
156 . 1 1 112 112 ILE CB C 13 39.761 . . 1 . . . . 242 I CB . 26661 2
157 . 1 1 112 112 ILE N N 15 119.233 . . 1 . . . . 242 I N . 26661 2
158 . 1 1 129 129 SER C C 13 174.196 . . 1 . . . . 259 S C . 26661 2
159 . 1 1 130 130 GLU H H 1 8.291 . . 1 . . . . 260 E H . 26661 2
160 . 1 1 130 130 GLU HA H 1 4.275 . . 1 . . . . 260 E HA . 26661 2
161 . 1 1 130 130 GLU CA C 13 60.109 . . 1 . . . . 260 E CA . 26661 2
162 . 1 1 130 130 GLU CB C 13 30.440 . . 1 . . . . 260 E CB . 26661 2
163 . 1 1 130 130 GLU N N 15 129.500 . . 1 . . . . 260 E N . 26661 2
stop_
save_