Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 50554
_Assigned_chem_shift_list.ID 2
_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
;
Assignments were taken from the previous work in Nguyen, C. et al.
Trapping the dynamic acyl carrier protein in fatty acid biosynthesis.
Nature 505, 427-431 (2014).
Unfortunately there is no BMRB entry for this work.
;
_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
3 'Prior assignment' . . . 50554 2
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 . . 50554 2
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 4 4 ILE H H 1 8.574 . . . . . . . . 3 I H . 50554 2
2 . 1 . 1 4 4 ILE N N 15 121.214 . . . . . . . . 3 I N . 50554 2
3 . 1 . 1 5 5 GLU H H 1 8.522 . . . . . . . . 4 E H . 50554 2
4 . 1 . 1 5 5 GLU N N 15 118.413 . . . . . . . . 4 E N . 50554 2
5 . 1 . 1 6 6 GLU H H 1 7.753 . . . . . . . . 5 E H . 50554 2
6 . 1 . 1 6 6 GLU N N 15 117.067 . . . . . . . . 5 E N . 50554 2
7 . 1 . 1 7 7 ARG H H 1 8.272 . . . . . . . . 6 R H . 50554 2
8 . 1 . 1 7 7 ARG N N 15 119.731 . . . . . . . . 6 R N . 50554 2
9 . 1 . 1 8 8 VAL H H 1 8.869 . . . . . . . . 7 V H . 50554 2
10 . 1 . 1 8 8 VAL N N 15 118.731 . . . . . . . . 7 V N . 50554 2
11 . 1 . 1 9 9 LYS H H 1 8.152 . . . . . . . . 8 K H . 50554 2
12 . 1 . 1 9 9 LYS N N 15 116.683 . . . . . . . . 8 K N . 50554 2
13 . 1 . 1 10 10 LYS H H 1 8.188 . . . . . . . . 9 K H . 50554 2
14 . 1 . 1 10 10 LYS N N 15 120.226 . . . . . . . . 9 K N . 50554 2
15 . 1 . 1 11 11 ILE H H 1 7.566 . . . . . . . . 10 I H . 50554 2
16 . 1 . 1 11 11 ILE N N 15 118.388 . . . . . . . . 10 I N . 50554 2
17 . 1 . 1 12 12 ILE H H 1 8.226 . . . . . . . . 11 I H . 50554 2
18 . 1 . 1 12 12 ILE N N 15 118.693 . . . . . . . . 11 I N . 50554 2
19 . 1 . 1 13 13 GLY H H 1 8.352 . . . . . . . . 12 G H . 50554 2
20 . 1 . 1 13 13 GLY N N 15 105.058 . . . . . . . . 12 G N . 50554 2
21 . 1 . 1 14 14 GLU H H 1 8.109 . . . . . . . . 13 E H . 50554 2
22 . 1 . 1 14 14 GLU N N 15 120.23 . . . . . . . . 13 E N . 50554 2
23 . 1 . 1 15 15 GLN H H 1 117.299 . . . . . . . . 14 Q H . 50554 2
24 . 1 . 1 15 15 GLN N N 15 8.441 . . . . . . . . 14 Q N . 50554 2
25 . 1 . 1 16 16 LEU H H 1 8.012 . . . . . . . . 15 L H . 50554 2
26 . 1 . 1 16 16 LEU N N 15 112.196 . . . . . . . . 15 L N . 50554 2
27 . 1 . 1 17 17 GLY H H 1 7.716 . . . . . . . . 16 G H . 50554 2
28 . 1 . 1 17 17 GLY N N 15 109.732 . . . . . . . . 16 G N . 50554 2
29 . 1 . 1 18 18 VAL H H 1 7.808 . . . . . . . . 17 V H . 50554 2
30 . 1 . 1 18 18 VAL N N 15 113.903 . . . . . . . . 17 V N . 50554 2
31 . 1 . 1 19 19 LYS H H 1 8.483 . . . . . . . . 18 K H . 50554 2
32 . 1 . 1 19 19 LYS N N 15 122.49 . . . . . . . . 18 K N . 50554 2
33 . 1 . 1 20 20 GLN H H 1 122.367 . . . . . . . . 19 Q H . 50554 2
34 . 1 . 1 20 20 GLN N N 15 8.705 . . . . . . . . 19 Q N . 50554 2
35 . 1 . 1 21 21 GLU H H 1 9.324 . . . . . . . . 20 E H . 50554 2
36 . 1 . 1 21 21 GLU N N 15 116.48 . . . . . . . . 20 E N . 50554 2
37 . 1 . 1 22 22 GLU H H 1 7.787 . . . . . . . . 21 E H . 50554 2
38 . 1 . 1 22 22 GLU N N 15 116.658 . . . . . . . . 21 E N . 50554 2
39 . 1 . 1 23 23 VAL H H 1 7.474 . . . . . . . . 22 V H . 50554 2
40 . 1 . 1 23 23 VAL N N 15 122.087 . . . . . . . . 22 V N . 50554 2
41 . 1 . 1 24 24 THR H H 1 7.229 . . . . . . . . 23 T H . 50554 2
42 . 1 . 1 24 24 THR N N 15 115.118 . . . . . . . . 23 T N . 50554 2
43 . 1 . 1 25 25 ASN H H 1 118.413 . . . . . . . . 24 N H . 50554 2
44 . 1 . 1 25 25 ASN N N 15 8.522 . . . . . . . . 24 N N . 50554 2
45 . 1 . 1 26 26 ASN H H 1 111.458 . . . . . . . . 25 N H . 50554 2
46 . 1 . 1 26 26 ASN N N 15 8.024 . . . . . . . . 25 N N . 50554 2
47 . 1 . 1 27 27 ALA H H 1 7.273 . . . . . . . . 26 A H . 50554 2
48 . 1 . 1 27 27 ALA N N 15 122.529 . . . . . . . . 26 A N . 50554 2
49 . 1 . 1 28 28 SER H H 1 9.9 . . . . . . . . 27 S H . 50554 2
50 . 1 . 1 28 28 SER N N 15 117.013 . . . . . . . . 27 S N . 50554 2
51 . 1 . 1 29 29 PHE H H 1 7.494 . . . . . . . . 28 F H . 50554 2
52 . 1 . 1 29 29 PHE N N 15 125.616 . . . . . . . . 28 F N . 50554 2
53 . 1 . 1 30 30 VAL H H 1 8.638 . . . . . . . . 29 V H . 50554 2
54 . 1 . 1 30 30 VAL N N 15 116.655 . . . . . . . . 29 V N . 50554 2
55 . 1 . 1 31 31 GLU H H 1 8.214 . . . . . . . . 30 E H . 50554 2
56 . 1 . 1 31 31 GLU N N 15 116.429 . . . . . . . . 30 E N . 50554 2
57 . 1 . 1 32 32 ASP H H 1 7.766 . . . . . . . . 31 D H . 50554 2
58 . 1 . 1 32 32 ASP N N 15 113.265 . . . . . . . . 31 D N . 50554 2
59 . 1 . 1 33 33 LEU H H 1 7.282 . . . . . . . . 32 L H . 50554 2
60 . 1 . 1 33 33 LEU N N 15 115.26 . . . . . . . . 32 L N . 50554 2
61 . 1 . 1 34 34 GLY H H 1 7.303 . . . . . . . . 33 G H . 50554 2
62 . 1 . 1 34 34 GLY N N 15 106.436 . . . . . . . . 33 G N . 50554 2
63 . 1 . 1 35 35 ALA H H 1 8.421 . . . . . . . . 34 A H . 50554 2
64 . 1 . 1 35 35 ALA N N 15 122.644 . . . . . . . . 34 A N . 50554 2
65 . 1 . 1 36 36 ASP H H 1 9.256 . . . . . . . . 35 D H . 50554 2
66 . 1 . 1 36 36 ASP N N 15 121.955 . . . . . . . . 35 D N . 50554 2
67 . 1 . 1 37 37 SER H H 1 8.608 . . . . . . . . 36 S H . 50554 2
68 . 1 . 1 37 37 SER N N 15 112.672 . . . . . . . . 36 S N . 50554 2
69 . 1 . 1 38 38 LEU H H 1 8.13 . . . . . . . . 37 L H . 50554 2
70 . 1 . 1 38 38 LEU N N 15 123.138 . . . . . . . . 37 L N . 50554 2
71 . 1 . 1 39 39 ASP H H 1 8.291 . . . . . . . . 38 D H . 50554 2
72 . 1 . 1 39 39 ASP N N 15 119.815 . . . . . . . . 38 D N . 50554 2
73 . 1 . 1 40 40 THR H H 1 8.055 . . . . . . . . 39 T H . 50554 2
74 . 1 . 1 40 40 THR N N 15 112.295 . . . . . . . . 39 T N . 50554 2
75 . 1 . 1 41 41 VAL H H 1 7.169 . . . . . . . . 40 V H . 50554 2
76 . 1 . 1 41 41 VAL N N 15 121.703 . . . . . . . . 40 V N . 50554 2
77 . 1 . 1 42 42 GLU H H 1 7.784 . . . . . . . . 41 E H . 50554 2
78 . 1 . 1 42 42 GLU N N 15 119.1 . . . . . . . . 41 E N . 50554 2
79 . 1 . 1 43 43 LEU H H 1 8.285 . . . . . . . . 42 L H . 50554 2
80 . 1 . 1 43 43 LEU N N 15 120.999 . . . . . . . . 42 L N . 50554 2
81 . 1 . 1 44 44 VAL H H 1 7.934 . . . . . . . . 43 V H . 50554 2
82 . 1 . 1 44 44 VAL N N 15 118.975 . . . . . . . . 43 V N . 50554 2
83 . 1 . 1 45 45 MET H H 1 7.749 . . . . . . . . 44 M H . 50554 2
84 . 1 . 1 45 45 MET N N 15 116.589 . . . . . . . . 44 M N . 50554 2
85 . 1 . 1 46 46 ALA H H 1 8.016 . . . . . . . . 45 A H . 50554 2
86 . 1 . 1 46 46 ALA N N 15 120.219 . . . . . . . . 45 A N . 50554 2
87 . 1 . 1 47 47 LEU H H 1 8.303 . . . . . . . . 46 L H . 50554 2
88 . 1 . 1 47 47 LEU N N 15 120.187 . . . . . . . . 46 L N . 50554 2
89 . 1 . 1 48 48 GLU H H 1 8.506 . . . . . . . . 47 E H . 50554 2
90 . 1 . 1 48 48 GLU N N 15 119.389 . . . . . . . . 47 E N . 50554 2
91 . 1 . 1 49 49 GLU H H 1 7.787 . . . . . . . . 48 E H . 50554 2
92 . 1 . 1 49 49 GLU N N 15 116.588 . . . . . . . . 48 E N . 50554 2
93 . 1 . 1 50 50 GLU H H 1 7.884 . . . . . . . . 49 E H . 50554 2
94 . 1 . 1 50 50 GLU N N 15 119.412 . . . . . . . . 49 E N . 50554 2
95 . 1 . 1 51 51 PHE H H 1 7.709 . . . . . . . . 50 F H . 50554 2
96 . 1 . 1 51 51 PHE N N 15 111.952 . . . . . . . . 50 F N . 50554 2
97 . 1 . 1 52 52 ASP H H 1 7.777 . . . . . . . . 51 D H . 50554 2
98 . 1 . 1 52 52 ASP N N 15 121.763 . . . . . . . . 51 D N . 50554 2
99 . 1 . 1 53 53 THR H H 1 8.012 . . . . . . . . 52 T H . 50554 2
100 . 1 . 1 53 53 THR N N 15 112.196 . . . . . . . . 52 T N . 50554 2
101 . 1 . 1 54 54 GLU H H 1 8.037 . . . . . . . . 53 E H . 50554 2
102 . 1 . 1 54 54 GLU N N 15 122.645 . . . . . . . . 53 E N . 50554 2
103 . 1 . 1 55 55 ILE H H 1 10.293 . . . . . . . . 54 I H . 50554 2
104 . 1 . 1 55 55 ILE N N 15 128.625 . . . . . . . . 54 I N . 50554 2
105 . 1 . 1 57 57 ASP H H 1 8.847 . . . . . . . . 56 D H . 50554 2
106 . 1 . 1 57 57 ASP N N 15 124.753 . . . . . . . . 56 D N . 50554 2
107 . 1 . 1 58 58 GLU H H 1 9.26 . . . . . . . . 57 E H . 50554 2
108 . 1 . 1 58 58 GLU N N 15 116.394 . . . . . . . . 57 E N . 50554 2
109 . 1 . 1 59 59 GLU H H 1 7.146 . . . . . . . . 58 E H . 50554 2
110 . 1 . 1 59 59 GLU N N 15 115.849 . . . . . . . . 58 E N . 50554 2
111 . 1 . 1 60 60 ALA H H 1 8.13 . . . . . . . . 59 A H . 50554 2
112 . 1 . 1 60 60 ALA N N 15 123.138 . . . . . . . . 59 A N . 50554 2
113 . 1 . 1 61 61 GLU H H 1 7.485 . . . . . . . . 60 E H . 50554 2
114 . 1 . 1 61 61 GLU N N 15 112.4 . . . . . . . . 60 E N . 50554 2
115 . 1 . 1 62 62 LYS H H 1 7.023 . . . . . . . . 61 K H . 50554 2
116 . 1 . 1 62 62 LYS N N 15 113.929 . . . . . . . . 61 K N . 50554 2
117 . 1 . 1 63 63 ILE H H 1 7.57 . . . . . . . . 62 I H . 50554 2
118 . 1 . 1 63 63 ILE N N 15 121.944 . . . . . . . . 62 I N . 50554 2
119 . 1 . 1 64 64 THR H H 1 8.012 . . . . . . . . 63 T H . 50554 2
120 . 1 . 1 64 64 THR N N 15 112.196 . . . . . . . . 63 T N . 50554 2
121 . 1 . 1 65 65 THR H H 1 7.031 . . . . . . . . 64 T H . 50554 2
122 . 1 . 1 65 65 THR N N 15 110.465 . . . . . . . . 64 T N . 50554 2
123 . 1 . 1 66 66 VAL H H 1 7.911 . . . . . . . . 65 V H . 50554 2
124 . 1 . 1 66 66 VAL N N 15 120.502 . . . . . . . . 65 V N . 50554 2
125 . 1 . 1 67 67 GLN H H 1 117.439 . . . . . . . . 66 Q H . 50554 2
126 . 1 . 1 67 67 GLN N N 15 8.458 . . . . . . . . 66 Q N . 50554 2
127 . 1 . 1 68 68 ALA H H 1 7.807 . . . . . . . . 67 A H . 50554 2
128 . 1 . 1 68 68 ALA N N 15 119.385 . . . . . . . . 67 A N . 50554 2
129 . 1 . 1 69 69 ALA H H 1 7.82 . . . . . . . . 68 A H . 50554 2
130 . 1 . 1 69 69 ALA N N 15 121.446 . . . . . . . . 68 A N . 50554 2
131 . 1 . 1 70 70 ILE H H 1 8.005 . . . . . . . . 69 I H . 50554 2
132 . 1 . 1 70 70 ILE N N 15 118.68 . . . . . . . . 69 I N . 50554 2
133 . 1 . 1 71 71 ASP H H 1 9.088 . . . . . . . . 70 D H . 50554 2
134 . 1 . 1 71 71 ASP N N 15 118.642 . . . . . . . . 70 D N . 50554 2
135 . 1 . 1 72 72 TYR H H 1 8.101 . . . . . . . . 71 Y H . 50554 2
136 . 1 . 1 72 72 TYR N N 15 120.881 . . . . . . . . 71 Y N . 50554 2
137 . 1 . 1 73 73 ILE H H 1 8.1 . . . . . . . . 72 I H . 50554 2
138 . 1 . 1 73 73 ILE N N 15 120.905 . . . . . . . . 72 I N . 50554 2
139 . 1 . 1 74 74 ASN H H 1 117.97 . . . . . . . . 73 N H . 50554 2
140 . 1 . 1 74 74 ASN N N 15 8.77 . . . . . . . . 73 N N . 50554 2
141 . 1 . 1 75 75 GLY H H 1 7.749 . . . . . . . . 74 G H . 50554 2
142 . 1 . 1 75 75 GLY N N 15 104.743 . . . . . . . . 74 G N . 50554 2
143 . 1 . 1 76 76 HIS H H 1 7.566 . . . . . . . . 75 H H . 50554 2
144 . 1 . 1 76 76 HIS N N 15 118.388 . . . . . . . . 75 H N . 50554 2
stop_
save_