Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 50085
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 $chem_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
;
RSB (BR555), 13.22, 173.51
RSB (BR568), 12.24, 165.42
13.22 ppm is the 1H chemical shift of the retinal Schiff base proton in the BR555 state (13-cis,15-syn retinal configuration) of bacteriorhodopsin.
173.51 ppm is the 15N chemical shift of the retinal Schiff base nitrogen in the BR555 state (13-cis,15-syn retinal configuration) of bacteriorhodopsin.
12.24 ppm is the 1H chemical shift of the retinal Schiff base proton in the BR568 state (13-trans,15-anti retinal configuration) of bacteriorhodopsin.
165.42 ppm is the 15N chemical shift of the retinal Schiff base nitrogen in the BR568 state (13-trans,15-anti retinal configuration) of bacteriorhodopsin.
;
_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' . . . 50085 1
2 '2D 1H-13C HSQC' . . . 50085 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 39 39 ALA H H 1 8.03 . . 1 . . . . . 39 A H . 50085 1
2 . 1 . 1 39 39 ALA N N 15 123.75 . . 1 . . . . . 39 A N . 50085 1
3 . 1 . 1 40 40 LYS H H 1 8.52 . . 1 . . . . . 40 K H . 50085 1
4 . 1 . 1 40 40 LYS N N 15 116.11 . . 1 . . . . . 40 K N . 50085 1
5 . 1 . 1 41 41 LYS H H 1 7.29 . . 1 . . . . . 41 K H . 50085 1
6 . 1 . 1 41 41 LYS N N 15 117.73 . . 1 . . . . . 41 K N . 50085 1
7 . 1 . 1 42 42 PHE H H 1 7.15 . . 1 . . . . . 42 F H . 50085 1
8 . 1 . 1 42 42 PHE N N 15 115.03 . . 1 . . . . . 42 F N . 50085 1
9 . 1 . 1 43 43 TYR H H 1 8.88 . . 1 . . . . . 43 Y H . 50085 1
10 . 1 . 1 43 43 TYR N N 15 120.67 . . 1 . . . . . 43 Y N . 50085 1
11 . 1 . 1 44 44 ALA H H 1 8.18 . . 1 . . . . . 44 A H . 50085 1
12 . 1 . 1 44 44 ALA N N 15 123.61 . . 1 . . . . . 44 A N . 50085 1
13 . 1 . 1 45 45 ILE H H 1 7.76 . . 1 . . . . . 45 I H . 50085 1
14 . 1 . 1 45 45 ILE N N 15 114.42 . . 1 . . . . . 45 I N . 50085 1
15 . 1 . 1 71 71 PHE H H 1 7.58 . . 1 . . . . . 71 F H . 50085 1
16 . 1 . 1 71 71 PHE N N 15 114.01 . . 1 . . . . . 71 F N . 50085 1
17 . 1 . 1 72 72 GLY H H 1 9.52 . . 1 . . . . . 72 G H . 50085 1
18 . 1 . 1 72 72 GLY N N 15 109.69 . . 1 . . . . . 72 G N . 50085 1
19 . 1 . 1 73 73 GLY H H 1 8.55 . . 1 . . . . . 73 G H . 50085 1
20 . 1 . 1 73 73 GLY N N 15 105.85 . . 1 . . . . . 73 G N . 50085 1
21 . 1 . 1 74 74 GLU H H 1 7.15 . . 1 . . . . . 74 E H . 50085 1
22 . 1 . 1 74 74 GLU N N 15 117.72 . . 1 . . . . . 74 E N . 50085 1
23 . 1 . 1 75 75 GLN H H 1 8.43 . . 1 . . . . . 75 Q H . 50085 1
24 . 1 . 1 75 75 GLN N N 15 118.83 . . 1 . . . . . 75 Q N . 50085 1
25 . 1 . 1 76 76 ASN H H 1 7.78 . . 1 . . . . . 76 N H . 50085 1
26 . 1 . 1 76 76 ASN N N 15 122.48 . . 1 . . . . . 76 N N . 50085 1
27 . 1 . 1 78 78 ILE H H 1 8.75 . . 1 . . . . . 78 I H . 50085 1
28 . 1 . 1 78 78 ILE N N 15 125.88 . . 1 . . . . . 78 I N . 50085 1
29 . 1 . 1 79 79 TYR H H 1 8.45 . . 1 . . . . . 79 Y H . 50085 1
30 . 1 . 1 79 79 TYR N N 15 127.51 . . 1 . . . . . 79 Y N . 50085 1
31 . 1 . 1 80 80 TRP H H 1 7.32 . . 1 . . . . . 80 W H . 50085 1
32 . 1 . 1 80 80 TRP N N 15 125.03 . . 1 . . . . . 80 W N . 50085 1
33 . 1 . 1 81 81 ALA H H 1 6.26 . . 1 . . . . . 81 A H . 50085 1
34 . 1 . 1 81 81 ALA N N 15 124.23 . . 1 . . . . . 81 A N . 50085 1
35 . 1 . 1 82 82 ARG HE H 1 6.24 . . 1 . . . . . 82 R HE . 50085 1
36 . 1 . 1 82 82 ARG NE N 15 77.65 . . 1 . . . . . 82 R NE . 50085 1
37 . 1 . 1 85 85 ASP HD2 H 1 12.12 . . 1 . . . . . 85 D HD2 . 50085 1
38 . 1 . 1 85 85 ASP CG C 13 169.68 . . 1 . . . . . 85 D CG . 50085 1
39 . 1 . 1 96 96 ASP HD2 H 1 11.04 . . 1 . . . . . 96 D HD2 . 50085 1
40 . 1 . 1 96 96 ASP CG C 13 170.78 . . 1 . . . . . 96 D CG . 50085 1
41 . 1 . 1 106 106 GLY H H 1 8.93 . . 1 . . . . . 106 G H . 50085 1
42 . 1 . 1 106 106 GLY N N 15 104.83 . . 1 . . . . . 106 G N . 50085 1
43 . 1 . 1 107 107 THR H H 1 7.34 . . 1 . . . . . 107 T H . 50085 1
44 . 1 . 1 107 107 THR N N 15 118.08 . . 1 . . . . . 107 T N . 50085 1
45 . 1 . 1 108 108 ILE H H 1 7.7 . . 1 . . . . . 108 I H . 50085 1
46 . 1 . 1 108 108 ILE N N 15 119.36 . . 1 . . . . . 108 I N . 50085 1
47 . 1 . 1 109 109 LEU H H 1 8.05 . . 1 . . . . . 109 L H . 50085 1
48 . 1 . 1 109 109 LEU N N 15 118.66 . . 1 . . . . . 109 L N . 50085 1
49 . 1 . 1 110 110 ALA H H 1 7.71 . . 1 . . . . . 110 A H . 50085 1
50 . 1 . 1 110 110 ALA N N 15 118.65 . . 1 . . . . . 110 A N . 50085 1
51 . 1 . 1 128 128 THR H H 1 7.3 . . 1 . . . . . 128 T H . 50085 1
52 . 1 . 1 128 128 THR N N 15 118.23 . . 1 . . . . . 128 T N . 50085 1
53 . 1 . 1 129 129 LYS H H 1 8.84 . . 1 . . . . . 129 K H . 50085 1
54 . 1 . 1 129 129 LYS N N 15 118.8 . . 1 . . . . . 129 K N . 50085 1
55 . 1 . 1 130 130 VAL H H 1 7.75 . . 1 . . . . . 130 V H . 50085 1
56 . 1 . 1 130 130 VAL N N 15 117.19 . . 1 . . . . . 130 V N . 50085 1
57 . 1 . 1 131 131 TYR H H 1 8.74 . . 1 . . . . . 131 Y H . 50085 1
58 . 1 . 1 131 131 TYR N N 15 128.38 . . 1 . . . . . 131 Y N . 50085 1
59 . 1 . 1 132 132 SER H H 1 8.7 . . 1 . . . . . 132 S H . 50085 1
60 . 1 . 1 132 132 SER N N 15 109.94 . . 1 . . . . . 132 S N . 50085 1
61 . 1 . 1 166 166 GLU H H 1 9.75 . . 1 . . . . . 166 E H . 50085 1
62 . 1 . 1 166 166 GLU N N 15 116.24 . . 1 . . . . . 166 E N . 50085 1
63 . 1 . 1 167 167 VAL H H 1 7.3 . . 1 . . . . . 167 V H . 50085 1
64 . 1 . 1 167 167 VAL N N 15 120.5 . . 1 . . . . . 167 V N . 50085 1
65 . 1 . 1 168 168 ALA H H 1 7.65 . . 1 . . . . . 168 A H . 50085 1
66 . 1 . 1 168 168 ALA N N 15 121.12 . . 1 . . . . . 168 A N . 50085 1
67 . 1 . 1 169 169 SER H H 1 8.36 . . 1 . . . . . 169 S H . 50085 1
68 . 1 . 1 169 169 SER N N 15 110.87 . . 1 . . . . . 169 S N . 50085 1
69 . 1 . 1 170 170 THR H H 1 7.23 . . 1 . . . . . 170 T H . 50085 1
70 . 1 . 1 170 170 THR N N 15 118.66 . . 1 . . . . . 170 T N . 50085 1
71 . 1 . 1 195 195 GLY H H 1 6.67 . . 1 . . . . . 195 G H . 50085 1
72 . 1 . 1 195 195 GLY N N 15 105.91 . . 1 . . . . . 195 G N . 50085 1
73 . 1 . 1 196 196 ALA H H 1 9.53 . . 1 . . . . . 196 A H . 50085 1
74 . 1 . 1 196 196 ALA N N 15 129.23 . . 1 . . . . . 196 A N . 50085 1
75 . 1 . 1 197 197 GLY H H 1 8.28 . . 1 . . . . . 197 G H . 50085 1
76 . 1 . 1 197 197 GLY N N 15 106.46 . . 1 . . . . . 197 G N . 50085 1
77 . 1 . 1 203 203 ILE H H 1 6.73 . . 1 . . . . . 203 I H . 50085 1
78 . 1 . 1 203 203 ILE N N 15 118.98 . . 1 . . . . . 203 I N . 50085 1
79 . 1 . 1 204 204 GLU H H 1 8.59 . . 1 . . . . . 204 E H . 50085 1
80 . 1 . 1 204 204 GLU N N 15 120.94 . . 1 . . . . . 204 E N . 50085 1
81 . 1 . 1 205 205 THR H H 1 8.31 . . 1 . . . . . 205 T H . 50085 1
82 . 1 . 1 205 205 THR N N 15 113.2 . . 1 . . . . . 205 T N . 50085 1
83 . 1 . 1 206 206 LEU H H 1 7.07 . . 1 . . . . . 206 L H . 50085 1
84 . 1 . 1 206 206 LEU N N 15 126.45 . . 1 . . . . . 206 L N . 50085 1
85 . 1 . 1 207 207 LEU H H 1 7.55 . . 1 . . . . . 207 L H . 50085 1
86 . 1 . 1 207 207 LEU N N 15 121.23 . . 1 . . . . . 207 L N . 50085 1
87 . 1 . 1 208 208 PHE H H 1 9.23 . . 1 . . . . . 208 F H . 50085 1
88 . 1 . 1 208 208 PHE N N 15 125.72 . . 1 . . . . . 208 F N . 50085 1
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save_