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 27409
_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 .
_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-13C HMQC methyl' . . . 27409 1
3 '2D 1H-13C-HMQC methyl' . . . 27409 1
5 '3D (HM)CM(CGCBCA)NH' . . . 27409 1
6 '3D HM(CMCGCBCA)NH' . . . 27409 1
7 '3D HMCM[CG]CBCA' . . . 27409 1
8 '3D HMCM(CGCBCA)CO' . . . 27409 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
1 $VNMRJ . . 27409 1
2 $NMRPipe . . 27409 1
3 $NMRViewJ . . 27409 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 15 15 ILE HD11 H 1 0.993 0.05 . 1 . . . . . 15 ILE MD . 27409 1
2 . 1 1 15 15 ILE HD12 H 1 0.993 0.05 . 1 . . . . . 15 ILE MD . 27409 1
3 . 1 1 15 15 ILE HD13 H 1 0.993 0.05 . 1 . . . . . 15 ILE MD . 27409 1
4 . 1 1 15 15 ILE CD1 C 13 14.829 0.2 . 1 . . . . . 15 ILE CD1 . 27409 1
5 . 1 1 18 18 MET HE1 H 1 1.670 0.05 . 1 . . . . . 18 MET ME . 27409 1
6 . 1 1 18 18 MET HE2 H 1 1.670 0.05 . 1 . . . . . 18 MET ME . 27409 1
7 . 1 1 18 18 MET HE3 H 1 1.670 0.05 . 1 . . . . . 18 MET ME . 27409 1
8 . 1 1 18 18 MET CE C 13 16.349 0.2 . 1 . . . . . 18 MET CE . 27409 1
9 . 1 1 33 33 ILE HD11 H 1 0.697 0.05 . 1 . . . . . 33 ILE MD . 27409 1
10 . 1 1 33 33 ILE HD12 H 1 0.697 0.05 . 1 . . . . . 33 ILE MD . 27409 1
11 . 1 1 33 33 ILE HD13 H 1 0.697 0.05 . 1 . . . . . 33 ILE MD . 27409 1
12 . 1 1 33 33 ILE CD1 C 13 13.073 0.2 . 1 . . . . . 33 ILE CD1 . 27409 1
13 . 1 1 46 46 ILE HD11 H 1 0.597 0.05 . 1 . . . . . 46 ILE MD . 27409 1
14 . 1 1 46 46 ILE HD12 H 1 0.597 0.05 . 1 . . . . . 46 ILE MD . 27409 1
15 . 1 1 46 46 ILE HD13 H 1 0.597 0.05 . 1 . . . . . 46 ILE MD . 27409 1
16 . 1 1 46 46 ILE CD1 C 13 13.544 0.2 . 1 . . . . . 46 ILE CD1 . 27409 1
17 . 1 1 53 53 ILE HD11 H 1 0.712 0.05 . 1 . . . . . 53 ILE MD . 27409 1
18 . 1 1 53 53 ILE HD12 H 1 0.712 0.05 . 1 . . . . . 53 ILE MD . 27409 1
19 . 1 1 53 53 ILE HD13 H 1 0.712 0.05 . 1 . . . . . 53 ILE MD . 27409 1
20 . 1 1 53 53 ILE CD1 C 13 13.311 0.2 . 1 . . . . . 53 ILE CD1 . 27409 1
21 . 1 1 69 69 ILE HD11 H 1 0.769 0.05 . 1 . . . . . 69 ILE MD . 27409 1
22 . 1 1 69 69 ILE HD12 H 1 0.769 0.05 . 1 . . . . . 69 ILE MD . 27409 1
23 . 1 1 69 69 ILE HD13 H 1 0.769 0.05 . 1 . . . . . 69 ILE MD . 27409 1
24 . 1 1 69 69 ILE CD1 C 13 13.932 0.2 . 1 . . . . . 69 ILE CD1 . 27409 1
25 . 1 1 73 73 ILE HD11 H 1 0.679 0.05 . 1 . . . . . 73 ILE MD . 27409 1
26 . 1 1 73 73 ILE HD12 H 1 0.679 0.05 . 1 . . . . . 73 ILE MD . 27409 1
27 . 1 1 73 73 ILE HD13 H 1 0.679 0.05 . 1 . . . . . 73 ILE MD . 27409 1
28 . 1 1 73 73 ILE CD1 C 13 14.976 0.2 . 1 . . . . . 73 ILE CD1 . 27409 1
29 . 1 1 88 88 ILE HD11 H 1 0.183 0.05 . 1 . . . . . 88 ILE MD . 27409 1
30 . 1 1 88 88 ILE HD12 H 1 0.183 0.05 . 1 . . . . . 88 ILE MD . 27409 1
31 . 1 1 88 88 ILE HD13 H 1 0.183 0.05 . 1 . . . . . 88 ILE MD . 27409 1
32 . 1 1 88 88 ILE CD1 C 13 14.007 0.2 . 1 . . . . . 88 ILE CD1 . 27409 1
33 . 1 1 97 97 ILE HD11 H 1 0.832 0.05 . 1 . . . . . 97 ILE MD . 27409 1
34 . 1 1 97 97 ILE HD12 H 1 0.832 0.05 . 1 . . . . . 97 ILE MD . 27409 1
35 . 1 1 97 97 ILE HD13 H 1 0.832 0.05 . 1 . . . . . 97 ILE MD . 27409 1
36 . 1 1 97 97 ILE CD1 C 13 13.823 0.2 . 1 . . . . . 97 ILE CD1 . 27409 1
37 . 1 1 106 106 ILE HD11 H 1 0.634 0.05 . 1 . . . . . 106 ILE MD . 27409 1
38 . 1 1 106 106 ILE HD12 H 1 0.634 0.05 . 1 . . . . . 106 ILE MD . 27409 1
39 . 1 1 106 106 ILE HD13 H 1 0.634 0.05 . 1 . . . . . 106 ILE MD . 27409 1
40 . 1 1 106 106 ILE CD1 C 13 12.114 0.2 . 1 . . . . . 106 ILE CD1 . 27409 1
41 . 1 1 119 119 ILE HD11 H 1 0.709 0.05 . 1 . . . . . 119 ILE MD . 27409 1
42 . 1 1 119 119 ILE HD12 H 1 0.709 0.05 . 1 . . . . . 119 ILE MD . 27409 1
43 . 1 1 119 119 ILE HD13 H 1 0.709 0.05 . 1 . . . . . 119 ILE MD . 27409 1
44 . 1 1 119 119 ILE CD1 C 13 14.006 0.2 . 1 . . . . . 119 ILE CD1 . 27409 1
45 . 1 1 138 138 ILE HD11 H 1 0.519 0.05 . 1 . . . . . 138 ILE MD . 27409 1
46 . 1 1 138 138 ILE HD12 H 1 0.519 0.05 . 1 . . . . . 138 ILE MD . 27409 1
47 . 1 1 138 138 ILE HD13 H 1 0.519 0.05 . 1 . . . . . 138 ILE MD . 27409 1
48 . 1 1 138 138 ILE CD1 C 13 10.355 0.2 . 1 . . . . . 138 ILE CD1 . 27409 1
49 . 1 1 150 150 ILE HD11 H 1 0.592 0.05 . 1 . . . . . 150 ILE MD . 27409 1
50 . 1 1 150 150 ILE HD12 H 1 0.592 0.05 . 1 . . . . . 150 ILE MD . 27409 1
51 . 1 1 150 150 ILE HD13 H 1 0.592 0.05 . 1 . . . . . 150 ILE MD . 27409 1
52 . 1 1 150 150 ILE CD1 C 13 12.918 0.2 . 1 . . . . . 150 ILE CD1 . 27409 1
53 . 1 1 155 155 MET HE1 H 1 1.754 0.05 . 1 . . . . . 155 MET ME . 27409 1
54 . 1 1 155 155 MET HE2 H 1 1.754 0.05 . 1 . . . . . 155 MET ME . 27409 1
55 . 1 1 155 155 MET HE3 H 1 1.754 0.05 . 1 . . . . . 155 MET ME . 27409 1
56 . 1 1 155 155 MET CE C 13 16.763 0.2 . 1 . . . . . 155 MET CE . 27409 1
57 . 1 1 158 158 MET HE1 H 1 2.036 0.05 . 1 . . . . . 158 MET ME . 27409 1
58 . 1 1 158 158 MET HE2 H 1 2.036 0.05 . 1 . . . . . 158 MET ME . 27409 1
59 . 1 1 158 158 MET HE3 H 1 2.036 0.05 . 1 . . . . . 158 MET ME . 27409 1
60 . 1 1 158 158 MET CE C 13 17.400 0.2 . 1 . . . . . 158 MET CE . 27409 1
61 . 1 1 161 161 ILE HD11 H 1 0.621 0.05 . 1 . . . . . 161 ILE MD . 27409 1
62 . 1 1 161 161 ILE HD12 H 1 0.621 0.05 . 1 . . . . . 161 ILE MD . 27409 1
63 . 1 1 161 161 ILE HD13 H 1 0.621 0.05 . 1 . . . . . 161 ILE MD . 27409 1
64 . 1 1 161 161 ILE CD1 C 13 14.171 0.2 . 1 . . . . . 161 ILE CD1 . 27409 1
65 . 1 1 174 174 ILE HD11 H 1 0.671 0.05 . 1 . . . . . 174 ILE MD . 27409 1
66 . 1 1 174 174 ILE HD12 H 1 0.671 0.05 . 1 . . . . . 174 ILE MD . 27409 1
67 . 1 1 174 174 ILE HD13 H 1 0.671 0.05 . 1 . . . . . 174 ILE MD . 27409 1
68 . 1 1 174 174 ILE CD1 C 13 13.345 0.2 . 1 . . . . . 174 ILE CD1 . 27409 1
69 . 1 1 191 191 MET HE1 H 1 1.829 0.05 . 1 . . . . . 191 MET ME . 27409 1
70 . 1 1 191 191 MET HE2 H 1 1.829 0.05 . 1 . . . . . 191 MET ME . 27409 1
71 . 1 1 191 191 MET HE3 H 1 1.829 0.05 . 1 . . . . . 191 MET ME . 27409 1
72 . 1 1 191 191 MET CE C 13 18.462 0.2 . 1 . . . . . 191 MET CE . 27409 1
73 . 1 1 224 224 ILE HD11 H 1 0.668 0.05 . 1 . . . . . 224 ILE MD . 27409 1
74 . 1 1 224 224 ILE HD12 H 1 0.668 0.05 . 1 . . . . . 224 ILE MD . 27409 1
75 . 1 1 224 224 ILE HD13 H 1 0.668 0.05 . 1 . . . . . 224 ILE MD . 27409 1
76 . 1 1 224 224 ILE CD1 C 13 13.931 0.2 . 1 . . . . . 224 ILE CD1 . 27409 1
77 . 1 1 236 236 MET HE1 H 1 2.034 0.05 . 1 . . . . . 236 MET ME . 27409 1
78 . 1 1 236 236 MET HE2 H 1 2.034 0.05 . 1 . . . . . 236 MET ME . 27409 1
79 . 1 1 236 236 MET HE3 H 1 2.034 0.05 . 1 . . . . . 236 MET ME . 27409 1
80 . 1 1 236 236 MET CE C 13 16.401 0.2 . 1 . . . . . 236 MET CE . 27409 1
81 . 1 1 255 255 ILE HD11 H 1 0.868 0.05 . 1 . . . . . 255 ILE MD . 27409 1
82 . 1 1 255 255 ILE HD12 H 1 0.868 0.05 . 1 . . . . . 255 ILE MD . 27409 1
83 . 1 1 255 255 ILE HD13 H 1 0.868 0.05 . 1 . . . . . 255 ILE MD . 27409 1
84 . 1 1 255 255 ILE CD1 C 13 14.112 0.2 . 1 . . . . . 255 ILE CD1 . 27409 1
85 . 1 1 257 257 ILE HD11 H 1 0.515 0.05 . 1 . . . . . 257 ILE MD . 27409 1
86 . 1 1 257 257 ILE HD12 H 1 0.515 0.05 . 1 . . . . . 257 ILE MD . 27409 1
87 . 1 1 257 257 ILE HD13 H 1 0.515 0.05 . 1 . . . . . 257 ILE MD . 27409 1
88 . 1 1 257 257 ILE CD1 C 13 13.022 0.2 . 1 . . . . . 257 ILE CD1 . 27409 1
89 . 1 1 260 260 ILE HD11 H 1 1.010 0.05 . 1 . . . . . 260 ILE MD . 27409 1
90 . 1 1 260 260 ILE HD12 H 1 1.010 0.05 . 1 . . . . . 260 ILE MD . 27409 1
91 . 1 1 260 260 ILE HD13 H 1 1.010 0.05 . 1 . . . . . 260 ILE MD . 27409 1
92 . 1 1 260 260 ILE CD1 C 13 13.427 0.2 . 1 . . . . . 260 ILE CD1 . 27409 1
93 . 1 1 277 277 ILE HD11 H 1 0.902 0.05 . 1 . . . . . 277 ILE MD . 27409 1
94 . 1 1 277 277 ILE HD12 H 1 0.902 0.05 . 1 . . . . . 277 ILE MD . 27409 1
95 . 1 1 277 277 ILE HD13 H 1 0.902 0.05 . 1 . . . . . 277 ILE MD . 27409 1
96 . 1 1 277 277 ILE CD1 C 13 12.216 0.2 . 1 . . . . . 277 ILE CD1 . 27409 1
97 . 1 1 282 282 MET HE1 H 1 1.255 0.05 . 1 . . . . . 282 MET ME . 27409 1
98 . 1 1 282 282 MET HE2 H 1 1.255 0.05 . 1 . . . . . 282 MET ME . 27409 1
99 . 1 1 282 282 MET HE3 H 1 1.255 0.05 . 1 . . . . . 282 MET ME . 27409 1
100 . 1 1 282 282 MET CE C 13 17.550 0.2 . 1 . . . . . 282 MET CE . 27409 1
101 . 1 1 293 293 ILE HD11 H 1 0.586 0.05 . 1 . . . . . 293 ILE MD . 27409 1
102 . 1 1 293 293 ILE HD12 H 1 0.586 0.05 . 1 . . . . . 293 ILE MD . 27409 1
103 . 1 1 293 293 ILE HD13 H 1 0.586 0.05 . 1 . . . . . 293 ILE MD . 27409 1
104 . 1 1 293 293 ILE CD1 C 13 14.820 0.2 . 1 . . . . . 293 ILE CD1 . 27409 1
105 . 1 1 298 298 ILE HD11 H 1 0.399 0.05 . 1 . . . . . 298 ILE MD . 27409 1
106 . 1 1 298 298 ILE HD12 H 1 0.399 0.05 . 1 . . . . . 298 ILE MD . 27409 1
107 . 1 1 298 298 ILE HD13 H 1 0.399 0.05 . 1 . . . . . 298 ILE MD . 27409 1
108 . 1 1 298 298 ILE CD1 C 13 13.731 0.2 . 1 . . . . . 298 ILE CD1 . 27409 1
109 . 1 1 319 319 ILE HD11 H 1 0.918 0.05 . 1 . . . . . 319 ILE MD . 27409 1
110 . 1 1 319 319 ILE HD12 H 1 0.918 0.05 . 1 . . . . . 319 ILE MD . 27409 1
111 . 1 1 319 319 ILE HD13 H 1 0.918 0.05 . 1 . . . . . 319 ILE MD . 27409 1
112 . 1 1 319 319 ILE CD1 C 13 13.062 0.2 . 1 . . . . . 319 ILE CD1 . 27409 1
113 . 1 1 323 323 ILE HD11 H 1 0.241 0.05 . 1 . . . . . 323 ILE MD . 27409 1
114 . 1 1 323 323 ILE HD12 H 1 0.241 0.05 . 1 . . . . . 323 ILE MD . 27409 1
115 . 1 1 323 323 ILE HD13 H 1 0.241 0.05 . 1 . . . . . 323 ILE MD . 27409 1
116 . 1 1 323 323 ILE CD1 C 13 14.480 0.2 . 1 . . . . . 323 ILE CD1 . 27409 1
stop_
save_