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 50554
_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
;
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 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 . . 50554 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 4 4 ILE H H 1 8.57 . . . . . . . . 3 I H . 50554 1
2 . 1 . 1 4 4 ILE N N 15 121.215 . . . . . . . . 3 I N . 50554 1
3 . 1 . 1 5 5 GLU H H 1 8.532 . . . . . . . . 4 E H . 50554 1
4 . 1 . 1 5 5 GLU N N 15 118.385 . . . . . . . . 4 E N . 50554 1
5 . 1 . 1 6 6 GLU H H 1 7.782 . . . . . . . . 5 E H . 50554 1
6 . 1 . 1 6 6 GLU N N 15 117.169 . . . . . . . . 5 E N . 50554 1
7 . 1 . 1 7 7 ARG H H 1 8.271 . . . . . . . . 6 R H . 50554 1
8 . 1 . 1 7 7 ARG N N 15 119.589 . . . . . . . . 6 R N . 50554 1
9 . 1 . 1 8 8 VAL H H 1 8.847 . . . . . . . . 7 V H . 50554 1
10 . 1 . 1 8 8 VAL N N 15 118.887 . . . . . . . . 7 V N . 50554 1
11 . 1 . 1 9 9 LYS H H 1 8.152 . . . . . . . . 8 K H . 50554 1
12 . 1 . 1 9 9 LYS N N 15 116.799 . . . . . . . . 8 K N . 50554 1
13 . 1 . 1 10 10 LYS H H 1 8.199 . . . . . . . . 9 K H . 50554 1
14 . 1 . 1 10 10 LYS N N 15 120.264 . . . . . . . . 9 K N . 50554 1
15 . 1 . 1 11 11 ILE H H 1 7.561 . . . . . . . . 10 I H . 50554 1
16 . 1 . 1 11 11 ILE N N 15 119.173 . . . . . . . . 10 I N . 50554 1
17 . 1 . 1 12 12 ILE H H 1 8.243 . . . . . . . . 11 I H . 50554 1
18 . 1 . 1 12 12 ILE N N 15 118.641 . . . . . . . . 11 I N . 50554 1
19 . 1 . 1 13 13 GLY H H 1 8.399 . . . . . . . . 12 G H . 50554 1
20 . 1 . 1 13 13 GLY N N 15 105.015 . . . . . . . . 12 G N . 50554 1
21 . 1 . 1 14 14 GLU H H 1 8.142 . . . . . . . . 13 E H . 50554 1
22 . 1 . 1 14 14 GLU N N 15 119.956 . . . . . . . . 13 E N . 50554 1
23 . 1 . 1 15 15 GLN H H 1 117.156 . . . . . . . . 14 Q H . 50554 1
24 . 1 . 1 15 15 GLN N N 15 8.346 . . . . . . . . 14 Q N . 50554 1
25 . 1 . 1 16 16 LEU H H 1 8.024 . . . . . . . . 15 L H . 50554 1
26 . 1 . 1 16 16 LEU N N 15 113.236 . . . . . . . . 15 L N . 50554 1
27 . 1 . 1 17 17 GLY H H 1 7.745 . . . . . . . . 16 G H . 50554 1
28 . 1 . 1 17 17 GLY N N 15 109.597 . . . . . . . . 16 G N . 50554 1
29 . 1 . 1 18 18 VAL H H 1 7.812 . . . . . . . . 17 V H . 50554 1
30 . 1 . 1 18 18 VAL N N 15 114.458 . . . . . . . . 17 V N . 50554 1
31 . 1 . 1 19 19 LYS H H 1 8.466 . . . . . . . . 18 K H . 50554 1
32 . 1 . 1 19 19 LYS N N 15 122.713 . . . . . . . . 18 K N . 50554 1
33 . 1 . 1 20 20 GLN H H 1 122.536 . . . . . . . . 19 Q H . 50554 1
34 . 1 . 1 20 20 GLN N N 15 8.704 . . . . . . . . 19 Q N . 50554 1
35 . 1 . 1 21 21 GLU H H 1 9.329 . . . . . . . . 20 E H . 50554 1
36 . 1 . 1 21 21 GLU N N 15 116.26 . . . . . . . . 20 E N . 50554 1
37 . 1 . 1 22 22 GLU H H 1 7.81 . . . . . . . . 21 E H . 50554 1
38 . 1 . 1 22 22 GLU N N 15 116.694 . . . . . . . . 21 E N . 50554 1
39 . 1 . 1 23 23 VAL H H 1 7.464 . . . . . . . . 22 V H . 50554 1
40 . 1 . 1 23 23 VAL N N 15 122.103 . . . . . . . . 22 V N . 50554 1
41 . 1 . 1 24 24 THR H H 1 7.27 . . . . . . . . 23 T H . 50554 1
42 . 1 . 1 24 24 THR N N 15 115.423 . . . . . . . . 23 T N . 50554 1
43 . 1 . 1 25 25 ASN H H 1 118.385 . . . . . . . . 24 N H . 50554 1
44 . 1 . 1 25 25 ASN N N 15 8.532 . . . . . . . . 24 N N . 50554 1
45 . 1 . 1 26 26 ASN H H 1 111.683 . . . . . . . . 25 N H . 50554 1
46 . 1 . 1 26 26 ASN N N 15 8.026 . . . . . . . . 25 N N . 50554 1
47 . 1 . 1 27 27 ALA H H 1 7.236 . . . . . . . . 26 A H . 50554 1
48 . 1 . 1 27 27 ALA N N 15 122.607 . . . . . . . . 26 A N . 50554 1
49 . 1 . 1 28 28 SER H H 1 9.871 . . . . . . . . 27 S H . 50554 1
50 . 1 . 1 28 28 SER N N 15 116.772 . . . . . . . . 27 S N . 50554 1
51 . 1 . 1 29 29 PHE H H 1 7.498 . . . . . . . . 28 F H . 50554 1
52 . 1 . 1 29 29 PHE N N 15 124.698 . . . . . . . . 28 F N . 50554 1
53 . 1 . 1 30 30 VAL H H 1 8.682 . . . . . . . . 29 V H . 50554 1
54 . 1 . 1 30 30 VAL N N 15 116.397 . . . . . . . . 29 V N . 50554 1
55 . 1 . 1 31 31 GLU H H 1 8.218 . . . . . . . . 30 E H . 50554 1
56 . 1 . 1 31 31 GLU N N 15 116.529 . . . . . . . . 30 E N . 50554 1
57 . 1 . 1 32 32 ASP H H 1 7.709 . . . . . . . . 31 D H . 50554 1
58 . 1 . 1 32 32 ASP N N 15 113.747 . . . . . . . . 31 D N . 50554 1
59 . 1 . 1 33 33 LEU H H 1 7.308 . . . . . . . . 32 L H . 50554 1
60 . 1 . 1 33 33 LEU N N 15 115.187 . . . . . . . . 32 L N . 50554 1
61 . 1 . 1 34 34 GLY H H 1 7.158 . . . . . . . . 33 G H . 50554 1
62 . 1 . 1 34 34 GLY N N 15 106.181 . . . . . . . . 33 G N . 50554 1
63 . 1 . 1 35 35 ALA H H 1 8.393 . . . . . . . . 34 A H . 50554 1
64 . 1 . 1 35 35 ALA N N 15 122.45 . . . . . . . . 34 A N . 50554 1
65 . 1 . 1 36 36 ASP H H 1 9.237 . . . . . . . . 35 D H . 50554 1
66 . 1 . 1 36 36 ASP N N 15 122.792 . . . . . . . . 35 D N . 50554 1
67 . 1 . 1 37 37 SER H H 1 8.588 . . . . . . . . 36 S H . 50554 1
68 . 1 . 1 37 37 SER N N 15 112.988 . . . . . . . . 36 S N . 50554 1
69 . 1 . 1 38 38 LEU H H 1 8.114 . . . . . . . . 37 L H . 50554 1
70 . 1 . 1 38 38 LEU N N 15 123.253 . . . . . . . . 37 L N . 50554 1
71 . 1 . 1 39 39 ASP H H 1 8.271 . . . . . . . . 38 D H . 50554 1
72 . 1 . 1 39 39 ASP N N 15 119.589 . . . . . . . . 38 D N . 50554 1
73 . 1 . 1 40 40 THR H H 1 8.116 . . . . . . . . 39 T H . 50554 1
74 . 1 . 1 40 40 THR N N 15 111.653 . . . . . . . . 39 T N . 50554 1
75 . 1 . 1 41 41 VAL H H 1 7.174 . . . . . . . . 40 V H . 50554 1
76 . 1 . 1 41 41 VAL N N 15 120.936 . . . . . . . . 40 V N . 50554 1
77 . 1 . 1 42 42 GLU H H 1 7.725 . . . . . . . . 41 E H . 50554 1
78 . 1 . 1 42 42 GLU N N 15 119.111 . . . . . . . . 41 E N . 50554 1
79 . 1 . 1 43 43 LEU H H 1 8.351 . . . . . . . . 42 L H . 50554 1
80 . 1 . 1 43 43 LEU N N 15 121.134 . . . . . . . . 42 L N . 50554 1
81 . 1 . 1 44 44 VAL H H 1 7.925 . . . . . . . . 43 V H . 50554 1
82 . 1 . 1 44 44 VAL N N 15 118.949 . . . . . . . . 43 V N . 50554 1
83 . 1 . 1 45 45 MET H H 1 7.727 . . . . . . . . 44 M H . 50554 1
84 . 1 . 1 45 45 MET N N 15 116.101 . . . . . . . . 44 M N . 50554 1
85 . 1 . 1 46 46 ALA H H 1 8.059 . . . . . . . . 45 A H . 50554 1
86 . 1 . 1 46 46 ALA N N 15 120.675 . . . . . . . . 45 A N . 50554 1
87 . 1 . 1 47 47 LEU H H 1 8.318 . . . . . . . . 46 L H . 50554 1
88 . 1 . 1 47 47 LEU N N 15 119.97 . . . . . . . . 46 L N . 50554 1
89 . 1 . 1 48 48 GLU H H 1 8.581 . . . . . . . . 47 E H . 50554 1
90 . 1 . 1 48 48 GLU N N 15 119.522 . . . . . . . . 47 E N . 50554 1
91 . 1 . 1 49 49 GLU H H 1 7.81 . . . . . . . . 48 E H . 50554 1
92 . 1 . 1 49 49 GLU N N 15 116.694 . . . . . . . . 48 E N . 50554 1
93 . 1 . 1 50 50 GLU H H 1 7.871 . . . . . . . . 49 E H . 50554 1
94 . 1 . 1 50 50 GLU N N 15 119.406 . . . . . . . . 49 E N . 50554 1
95 . 1 . 1 51 51 PHE H H 1 7.702 . . . . . . . . 50 F H . 50554 1
96 . 1 . 1 51 51 PHE N N 15 111.944 . . . . . . . . 50 F N . 50554 1
97 . 1 . 1 52 52 ASP H H 1 7.809 . . . . . . . . 51 D H . 50554 1
98 . 1 . 1 52 52 ASP N N 15 122.137 . . . . . . . . 51 D N . 50554 1
99 . 1 . 1 53 53 THR H H 1 7.971 . . . . . . . . 52 T H . 50554 1
100 . 1 . 1 53 53 THR N N 15 112.022 . . . . . . . . 52 T N . 50554 1
101 . 1 . 1 54 54 GLU H H 1 8.049 . . . . . . . . 53 E H . 50554 1
102 . 1 . 1 54 54 GLU N N 15 122.387 . . . . . . . . 53 E N . 50554 1
103 . 1 . 1 55 55 ILE H H 1 10.325 . . . . . . . . 54 I H . 50554 1
104 . 1 . 1 55 55 ILE N N 15 129.462 . . . . . . . . 54 I N . 50554 1
105 . 1 . 1 57 57 ASP H H 1 8.823 . . . . . . . . 56 D H . 50554 1
106 . 1 . 1 57 57 ASP N N 15 124.934 . . . . . . . . 56 D N . 50554 1
107 . 1 . 1 58 58 GLU H H 1 9.172 . . . . . . . . 57 E H . 50554 1
108 . 1 . 1 58 58 GLU N N 15 115.993 . . . . . . . . 57 E N . 50554 1
109 . 1 . 1 59 59 GLU H H 1 7.156 . . . . . . . . 58 E H . 50554 1
110 . 1 . 1 59 59 GLU N N 15 115.712 . . . . . . . . 58 E N . 50554 1
111 . 1 . 1 60 60 ALA H H 1 8.114 . . . . . . . . 59 A H . 50554 1
112 . 1 . 1 60 60 ALA N N 15 123.253 . . . . . . . . 59 A N . 50554 1
113 . 1 . 1 61 61 GLU H H 1 7.493 . . . . . . . . 60 E H . 50554 1
114 . 1 . 1 61 61 GLU N N 15 112.037 . . . . . . . . 60 E N . 50554 1
115 . 1 . 1 62 62 LYS H H 1 6.969 . . . . . . . . 61 K H . 50554 1
116 . 1 . 1 62 62 LYS N N 15 113.744 . . . . . . . . 61 K N . 50554 1
117 . 1 . 1 63 63 ILE H H 1 7.569 . . . . . . . . 62 I H . 50554 1
118 . 1 . 1 63 63 ILE N N 15 122.511 . . . . . . . . 62 I N . 50554 1
119 . 1 . 1 64 64 THR H H 1 7.971 . . . . . . . . 63 T H . 50554 1
120 . 1 . 1 64 64 THR N N 15 112.022 . . . . . . . . 63 T N . 50554 1
121 . 1 . 1 65 65 THR H H 1 7.171 . . . . . . . . 64 T H . 50554 1
122 . 1 . 1 65 65 THR N N 15 110.106 . . . . . . . . 64 T N . 50554 1
123 . 1 . 1 66 66 VAL H H 1 7.931 . . . . . . . . 65 V H . 50554 1
124 . 1 . 1 66 66 VAL N N 15 121.163 . . . . . . . . 65 V N . 50554 1
125 . 1 . 1 67 67 GLN H H 1 117.698 . . . . . . . . 66 Q H . 50554 1
126 . 1 . 1 67 67 GLN N N 15 8.616 . . . . . . . . 66 Q N . 50554 1
127 . 1 . 1 68 68 ALA H H 1 7.725 . . . . . . . . 67 A H . 50554 1
128 . 1 . 1 68 68 ALA N N 15 119.111 . . . . . . . . 67 A N . 50554 1
129 . 1 . 1 69 69 ALA H H 1 7.89 . . . . . . . . 68 A H . 50554 1
130 . 1 . 1 69 69 ALA N N 15 122.432 . . . . . . . . 68 A N . 50554 1
131 . 1 . 1 70 70 ILE H H 1 8.053 . . . . . . . . 69 I H . 50554 1
132 . 1 . 1 70 70 ILE N N 15 118.918 . . . . . . . . 69 I N . 50554 1
133 . 1 . 1 71 71 ASP H H 1 9.051 . . . . . . . . 70 D H . 50554 1
134 . 1 . 1 71 71 ASP N N 15 118.888 . . . . . . . . 70 D N . 50554 1
135 . 1 . 1 72 72 TYR H H 1 8.105 . . . . . . . . 71 Y H . 50554 1
136 . 1 . 1 72 72 TYR N N 15 121.417 . . . . . . . . 71 Y N . 50554 1
137 . 1 . 1 73 73 ILE H H 1 8.122 . . . . . . . . 72 I H . 50554 1
138 . 1 . 1 73 73 ILE N N 15 120.58 . . . . . . . . 72 I N . 50554 1
139 . 1 . 1 74 74 ASN H H 1 117.956 . . . . . . . . 73 N H . 50554 1
140 . 1 . 1 74 74 ASN N N 15 8.769 . . . . . . . . 73 N N . 50554 1
141 . 1 . 1 75 75 GLY H H 1 7.779 . . . . . . . . 74 G H . 50554 1
142 . 1 . 1 75 75 GLY N N 15 104.714 . . . . . . . . 74 G N . 50554 1
143 . 1 . 1 76 76 HIS H H 1 7.587 . . . . . . . . 75 H H . 50554 1
144 . 1 . 1 76 76 HIS N N 15 118.351 . . . . . . . . 75 H N . 50554 1
stop_
save_