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 50699
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name '2D 1H-15N HSQC'
_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
;
NMR shifts were derived from previous experiments,
utilizing both the entries BMRB 3 of the E. coli AcpP
and BMRB 27872 which describes the chemical shifts of
another C8 AcpP with a partner protein.
;
_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
2 '2D 1H-15N HSQC AcpP FabA titration zero point' . . . 50699 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
3 $software_3 . . 50699 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 2 2 ILE H H 1 8.594 . . . . . . . . 3 I H . 50699 1
2 . 1 . 1 2 2 ILE N N 15 121.468 . . . . . . . . 3 I N . 50699 1
3 . 1 . 1 3 3 GLU H H 1 8.559 . . . . . . . . 4 E H . 50699 1
4 . 1 . 1 3 3 GLU N N 15 118.667 . . . . . . . . 4 E N . 50699 1
5 . 1 . 1 4 4 GLU H H 1 7.766 . . . . . . . . 5 E H . 50699 1
6 . 1 . 1 4 4 GLU N N 15 117.437 . . . . . . . . 5 E N . 50699 1
7 . 1 . 1 5 5 ARG H H 1 8.29 . . . . . . . . 6 R H . 50699 1
8 . 1 . 1 5 5 ARG N N 15 119.993 . . . . . . . . 6 R N . 50699 1
9 . 1 . 1 6 6 VAL H H 1 8.883 . . . . . . . . 7 V H . 50699 1
10 . 1 . 1 6 6 VAL N N 15 119.305 . . . . . . . . 7 V N . 50699 1
11 . 1 . 1 7 7 LYS H H 1 8.148 . . . . . . . . 8 K H . 50699 1
12 . 1 . 1 7 7 LYS N N 15 117.107 . . . . . . . . 8 K N . 50699 1
13 . 1 . 1 8 8 LYS H H 1 8.221 . . . . . . . . 9 K H . 50699 1
14 . 1 . 1 8 8 LYS N N 15 120.35 . . . . . . . . 9 K N . 50699 1
15 . 1 . 1 9 9 ILE H H 1 7.552 . . . . . . . . 10 I H . 50699 1
16 . 1 . 1 9 9 ILE N N 15 119.255 . . . . . . . . 10 I N . 50699 1
17 . 1 . 1 10 10 ILE H H 1 8.223 . . . . . . . . 11 I H . 50699 1
18 . 1 . 1 10 10 ILE N N 15 118.909 . . . . . . . . 11 I N . 50699 1
19 . 1 . 1 11 11 GLY H H 1 8.366 . . . . . . . . 12 G H . 50699 1
20 . 1 . 1 11 11 GLY N N 15 105.245 . . . . . . . . 12 G N . 50699 1
21 . 1 . 1 12 12 GLU H H 1 8.108 . . . . . . . . 13 E H . 50699 1
22 . 1 . 1 12 12 GLU N N 15 120.033 . . . . . . . . 13 E N . 50699 1
23 . 1 . 1 13 13 GLN H H 1 8.346 . . . . . . . . 14 Q H . 50699 1
24 . 1 . 1 13 13 GLN N N 15 117.546 . . . . . . . . 14 Q N . 50699 1
25 . 1 . 1 14 14 LEU H H 1 7.962 . . . . . . . . 15 L H . 50699 1
26 . 1 . 1 14 14 LEU N N 15 113.123 . . . . . . . . 15 L N . 50699 1
27 . 1 . 1 15 15 GLY H H 1 7.704 . . . . . . . . 16 G H . 50699 1
28 . 1 . 1 15 15 GLY N N 15 109.866 . . . . . . . . 16 G N . 50699 1
29 . 1 . 1 16 16 VAL H H 1 7.795 . . . . . . . . 17 V H . 50699 1
30 . 1 . 1 16 16 VAL N N 15 114.356 . . . . . . . . 17 V N . 50699 1
31 . 1 . 1 17 17 LYS H H 1 8.467 . . . . . . . . 18 K H . 50699 1
32 . 1 . 1 17 17 LYS N N 15 123.019 . . . . . . . . 18 K N . 50699 1
33 . 1 . 1 18 18 GLN H H 1 8.73 . . . . . . . . 19 Q H . 50699 1
34 . 1 . 1 18 18 GLN N N 15 122.775 . . . . . . . . 19 Q N . 50699 1
35 . 1 . 1 19 19 GLU H H 1 9.352 . . . . . . . . 20 E H . 50699 1
36 . 1 . 1 19 19 GLU N N 15 116.633 . . . . . . . . 20 E N . 50699 1
37 . 1 . 1 20 20 GLU H H 1 7.784 . . . . . . . . 21 E H . 50699 1
38 . 1 . 1 20 20 GLU N N 15 116.86 . . . . . . . . 21 E N . 50699 1
39 . 1 . 1 21 21 VAL H H 1 7.454 . . . . . . . . 22 V H . 50699 1
40 . 1 . 1 21 21 VAL N N 15 122.327 . . . . . . . . 22 V N . 50699 1
41 . 1 . 1 22 22 THR H H 1 7.231 . . . . . . . . 23 T H . 50699 1
42 . 1 . 1 22 22 THR N N 15 115.351 . . . . . . . . 23 T N . 50699 1
43 . 1 . 1 23 23 ASN H H 1 8.514 . . . . . . . . 24 N H . 50699 1
44 . 1 . 1 23 23 ASN N N 15 118.76 . . . . . . . . 24 N N . 50699 1
45 . 1 . 1 24 24 ASN H H 1 8.028 . . . . . . . . 25 N H . 50699 1
46 . 1 . 1 24 24 ASN N N 15 111.736 . . . . . . . . 25 N N . 50699 1
47 . 1 . 1 25 25 ALA H H 1 7.238 . . . . . . . . 26 A H . 50699 1
48 . 1 . 1 25 25 ALA N N 15 122.87 . . . . . . . . 26 A N . 50699 1
49 . 1 . 1 26 26 SER H H 1 9.877 . . . . . . . . 27 S H . 50699 1
50 . 1 . 1 26 26 SER N N 15 117.115 . . . . . . . . 27 S N . 50699 1
51 . 1 . 1 27 27 PHE H H 1 7.47 . . . . . . . . 28 F H . 50699 1
52 . 1 . 1 27 27 PHE N N 15 125.608 . . . . . . . . 28 F N . 50699 1
53 . 1 . 1 28 28 VAL H H 1 8.679 . . . . . . . . 29 V H . 50699 1
54 . 1 . 1 28 28 VAL N N 15 116.848 . . . . . . . . 29 V N . 50699 1
55 . 1 . 1 29 29 GLU H H 1 8.242 . . . . . . . . 30 E H . 50699 1
56 . 1 . 1 29 29 GLU N N 15 116.664 . . . . . . . . 30 E N . 50699 1
57 . 1 . 1 30 30 ASP H H 1 7.718 . . . . . . . . 31 D H . 50699 1
58 . 1 . 1 30 30 ASP N N 15 113.616 . . . . . . . . 31 D N . 50699 1
59 . 1 . 1 31 31 LEU H H 1 7.274 . . . . . . . . 32 L H . 50699 1
60 . 1 . 1 31 31 LEU N N 15 115.549 . . . . . . . . 32 L N . 50699 1
61 . 1 . 1 32 32 GLY H H 1 7.209 . . . . . . . . 33 G H . 50699 1
62 . 1 . 1 32 32 GLY N N 15 106.502 . . . . . . . . 33 G N . 50699 1
63 . 1 . 1 33 33 ALA H H 1 8.394 . . . . . . . . 34 A H . 50699 1
64 . 1 . 1 33 33 ALA N N 15 122.732 . . . . . . . . 34 A N . 50699 1
65 . 1 . 1 34 34 ASP H H 1 9.175 . . . . . . . . 35 D H . 50699 1
66 . 1 . 1 34 34 ASP N N 15 122.461 . . . . . . . . 35 D N . 50699 1
67 . 1 . 1 35 35 SER H H 1 8.559 . . . . . . . . 36 S H . 50699 1
68 . 1 . 1 35 35 SER N N 15 112.806 . . . . . . . . 36 S N . 50699 1
69 . 1 . 1 36 36 LEU H H 1 8.038 . . . . . . . . 37 L H . 50699 1
70 . 1 . 1 36 36 LEU N N 15 123.952 . . . . . . . . 37 L N . 50699 1
71 . 1 . 1 37 37 ASP H H 1 8.326 . . . . . . . . 38 D H . 50699 1
72 . 1 . 1 37 37 ASP N N 15 119.806 . . . . . . . . 38 D N . 50699 1
73 . 1 . 1 38 38 THR H H 1 8.062 . . . . . . . . 39 T H . 50699 1
74 . 1 . 1 38 38 THR N N 15 111.832 . . . . . . . . 39 T N . 50699 1
75 . 1 . 1 39 39 VAL H H 1 7.137 . . . . . . . . 40 V H . 50699 1
76 . 1 . 1 39 39 VAL N N 15 121.507 . . . . . . . . 40 V N . 50699 1
77 . 1 . 1 40 40 GLU H H 1 7.791 . . . . . . . . 41 E H . 50699 1
78 . 1 . 1 40 40 GLU N N 15 119.081 . . . . . . . . 41 E N . 50699 1
79 . 1 . 1 41 41 LEU H H 1 8.325 . . . . . . . . 42 L H . 50699 1
80 . 1 . 1 41 41 LEU N N 15 121.573 . . . . . . . . 42 L N . 50699 1
81 . 1 . 1 42 42 VAL H H 1 7.927 . . . . . . . . 43 V H . 50699 1
82 . 1 . 1 42 42 VAL N N 15 119.121 . . . . . . . . 43 V N . 50699 1
83 . 1 . 1 43 43 MET H H 1 7.667 . . . . . . . . 44 M H . 50699 1
84 . 1 . 1 43 43 MET N N 15 117.139 . . . . . . . . 44 M N . 50699 1
85 . 1 . 1 44 44 ALA H H 1 8.077 . . . . . . . . 45 A H . 50699 1
86 . 1 . 1 44 44 ALA N N 15 121.461 . . . . . . . . 45 A N . 50699 1
87 . 1 . 1 45 45 LEU H H 1 8.312 . . . . . . . . 46 L H . 50699 1
88 . 1 . 1 45 45 LEU N N 15 120.304 . . . . . . . . 46 L N . 50699 1
89 . 1 . 1 46 46 GLU H H 1 8.517 . . . . . . . . 47 E H . 50699 1
90 . 1 . 1 46 46 GLU N N 15 119.474 . . . . . . . . 47 E N . 50699 1
91 . 1 . 1 47 47 GLU H H 1 7.784 . . . . . . . . 48 E H . 50699 1
92 . 1 . 1 47 47 GLU N N 15 116.86 . . . . . . . . 48 E N . 50699 1
93 . 1 . 1 48 48 GLU H H 1 7.871 . . . . . . . . 49 E H . 50699 1
94 . 1 . 1 48 48 GLU N N 15 119.375 . . . . . . . . 49 E N . 50699 1
95 . 1 . 1 49 49 PHE H H 1 7.692 . . . . . . . . 50 F H . 50699 1
96 . 1 . 1 49 49 PHE N N 15 111.335 . . . . . . . . 50 F N . 50699 1
97 . 1 . 1 50 50 ASP H H 1 7.771 . . . . . . . . 51 D H . 50699 1
98 . 1 . 1 50 50 ASP N N 15 122.325 . . . . . . . . 51 D N . 50699 1
99 . 1 . 1 51 51 THR H H 1 7.953 . . . . . . . . 52 T H . 50699 1
100 . 1 . 1 51 51 THR N N 15 112.169 . . . . . . . . 52 T N . 50699 1
101 . 1 . 1 52 52 GLU H H 1 8.057 . . . . . . . . 53 E H . 50699 1
102 . 1 . 1 52 52 GLU N N 15 122.599 . . . . . . . . 53 E N . 50699 1
103 . 1 . 1 53 53 ILE H H 1 10.265 . . . . . . . . 54 I H . 50699 1
104 . 1 . 1 53 53 ILE N N 15 128.629 . . . . . . . . 54 I N . 50699 1
105 . 1 . 1 55 55 ASP H H 1 8.869 . . . . . . . . 56 D H . 50699 1
106 . 1 . 1 55 55 ASP N N 15 124.956 . . . . . . . . 56 D N . 50699 1
107 . 1 . 1 56 56 GLU H H 1 9.232 . . . . . . . . 57 E H . 50699 1
108 . 1 . 1 56 56 GLU N N 15 116.489 . . . . . . . . 57 E N . 50699 1
109 . 1 . 1 57 57 GLU H H 1 7.14 . . . . . . . . 58 E H . 50699 1
110 . 1 . 1 57 57 GLU N N 15 115.896 . . . . . . . . 58 E N . 50699 1
111 . 1 . 1 58 58 ALA H H 1 8.055 . . . . . . . . 59 A H . 50699 1
112 . 1 . 1 58 58 ALA N N 15 123.825 . . . . . . . . 59 A N . 50699 1
113 . 1 . 1 59 59 GLU H H 1 7.483 . . . . . . . . 60 E H . 50699 1
114 . 1 . 1 59 59 GLU N N 15 111.845 . . . . . . . . 60 E N . 50699 1
115 . 1 . 1 60 60 LYS H H 1 6.956 . . . . . . . . 61 K H . 50699 1
116 . 1 . 1 60 60 LYS N N 15 113.854 . . . . . . . . 61 K N . 50699 1
117 . 1 . 1 61 61 ILE H H 1 7.541 . . . . . . . . 62 I H . 50699 1
118 . 1 . 1 61 61 ILE N N 15 122.265 . . . . . . . . 62 I N . 50699 1
119 . 1 . 1 62 62 THR H H 1 7.953 . . . . . . . . 63 T H . 50699 1
120 . 1 . 1 62 62 THR N N 15 112.169 . . . . . . . . 63 T N . 50699 1
121 . 1 . 1 63 63 THR H H 1 7.06 . . . . . . . . 64 T H . 50699 1
122 . 1 . 1 63 63 THR N N 15 110.431 . . . . . . . . 64 T N . 50699 1
123 . 1 . 1 64 64 VAL H H 1 7.948 . . . . . . . . 65 V H . 50699 1
124 . 1 . 1 64 64 VAL N N 15 121.318 . . . . . . . . 65 V N . 50699 1
125 . 1 . 1 65 65 GLN H H 1 8.511 . . . . . . . . 66 Q H . 50699 1
126 . 1 . 1 65 65 GLN N N 15 117.845 . . . . . . . . 66 Q N . 50699 1
127 . 1 . 1 66 66 ALA H H 1 7.76 . . . . . . . . 67 A H . 50699 1
128 . 1 . 1 66 66 ALA N N 15 119.181 . . . . . . . . 67 A N . 50699 1
129 . 1 . 1 67 67 ALA H H 1 7.816 . . . . . . . . 68 A H . 50699 1
130 . 1 . 1 67 67 ALA N N 15 122.195 . . . . . . . . 68 A N . 50699 1
131 . 1 . 1 68 68 ILE H H 1 7.994 . . . . . . . . 69 I H . 50699 1
132 . 1 . 1 68 68 ILE N N 15 118.901 . . . . . . . . 69 I N . 50699 1
133 . 1 . 1 69 69 ASP H H 1 9.074 . . . . . . . . 70 D H . 50699 1
134 . 1 . 1 69 69 ASP N N 15 118.872 . . . . . . . . 70 D N . 50699 1
135 . 1 . 1 70 70 TYR H H 1 8.046 . . . . . . . . 71 Y H . 50699 1
136 . 1 . 1 70 70 TYR N N 15 121.657 . . . . . . . . 71 Y N . 50699 1
137 . 1 . 1 71 71 ILE H H 1 8.092 . . . . . . . . 72 I H . 50699 1
138 . 1 . 1 71 71 ILE N N 15 120.832 . . . . . . . . 72 I N . 50699 1
139 . 1 . 1 72 72 ASN H H 1 8.76 . . . . . . . . 73 N H . 50699 1
140 . 1 . 1 72 72 ASN N N 15 118.077 . . . . . . . . 73 N N . 50699 1
141 . 1 . 1 73 73 GLY H H 1 7.731 . . . . . . . . 74 G H . 50699 1
142 . 1 . 1 73 73 GLY N N 15 104.801 . . . . . . . . 74 G N . 50699 1
143 . 1 . 1 74 74 HIS H H 1 7.544 . . . . . . . . 75 H H . 50699 1
144 . 1 . 1 74 74 HIS N N 15 118.371 . . . . . . . . 75 H N . 50699 1
stop_
save_