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 53493
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_chem_shift_list_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 $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
;
Please note that the NZ atom of LYS 11 in chain A is covalently linked through an isopeptide bond to chain B.
As a result of this linkage, the side-chain NH3 group of LYS 11 lost two hydrogens and got transformed into an amide group (NH).
The observed NZ chemical shift is consistent with a typical chemical shift of an amide nitrogen.
This also means that the NZ atom has only one hydrogen attached to it.
;
_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 HMQC' . . . 53493 1
3 '2D 1H-15N TROSY' . . . 53493 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 $software_1 . . 53493 1
2 $software_2 . . 53493 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 GLN H H 1 8.891 . . 1 . . . A . 2 GLN H . 53493 1
2 . 1 . 1 2 2 GLN N N 15 123.15 . . 1 . . . A . 2 GLN N . 53493 1
3 . 1 . 1 3 3 ILE H H 1 8.223 . . 1 . . . A . 3 ILE H . 53493 1
4 . 1 . 1 3 3 ILE N N 15 115.239 . . 1 . . . A . 3 ILE N . 53493 1
5 . 1 . 1 4 4 PHE H H 1 8.506 . . 1 . . . A . 4 PHE H . 53493 1
6 . 1 . 1 4 4 PHE N N 15 118.61 . . 1 . . . A . 4 PHE N . 53493 1
7 . 1 . 1 5 5 VAL H H 1 9.195 . . 1 . . . A . 5 VAL H . 53493 1
8 . 1 . 1 5 5 VAL N N 15 121.57 . . 1 . . . A . 5 VAL N . 53493 1
9 . 1 . 1 6 6 LYS H H 1 8.877 . . 1 . . . A . 6 LYS H . 53493 1
10 . 1 . 1 6 6 LYS N N 15 127.761 . . 1 . . . A . 6 LYS N . 53493 1
11 . 1 . 1 7 7 THR H H 1 8.611 . . 1 . . . A . 7 THR H . 53493 1
12 . 1 . 1 7 7 THR N N 15 114.767 . . 1 . . . A . 7 THR N . 53493 1
13 . 1 . 1 8 8 LEU H H 1 9.074 . . 1 . . . A . 8 LEU H . 53493 1
14 . 1 . 1 8 8 LEU N N 15 121.309 . . 1 . . . A . 8 LEU N . 53493 1
15 . 1 . 1 9 9 THR H H 1 7.532 . . 1 . . . A . 9 THR H . 53493 1
16 . 1 . 1 9 9 THR N N 15 105.766 . . 1 . . . A . 9 THR N . 53493 1
17 . 1 . 1 10 10 GLY H H 1 7.688 . . 1 . . . A . 10 GLY H . 53493 1
18 . 1 . 1 10 10 GLY N N 15 109.021 . . 1 . . . A . 10 GLY N . 53493 1
19 . 1 . 1 11 11 LYS H H 1 7.193 . . 1 . . . A . 11 LYS H . 53493 1
20 . 1 . 1 11 11 LYS HZ1 H 1 8.248 . . 1 . . . A . 11 LYS HZ . 53493 1
21 . 1 . 1 11 11 LYS HZ2 H 1 8.248 . . 1 . . . A . 11 LYS HZ . 53493 1
22 . 1 . 1 11 11 LYS HZ3 H 1 8.248 . . 1 . . . A . 11 LYS HZ . 53493 1
23 . 1 . 1 11 11 LYS N N 15 122.209 . . 1 . . . A . 11 LYS N . 53493 1
24 . 1 . 1 11 11 LYS NZ N 15 121.919 . . 1 . . . A . 11 LYS NZ . 53493 1
25 . 1 . 1 12 12 THR H H 1 8.474 . . 1 . . . A . 12 THR H . 53493 1
26 . 1 . 1 12 12 THR N N 15 119.883 . . 1 . . . A . 12 THR N . 53493 1
27 . 1 . 1 13 13 ILE H H 1 9.459 . . 1 . . . A . 13 ILE H . 53493 1
28 . 1 . 1 13 13 ILE N N 15 127.548 . . 1 . . . A . 13 ILE N . 53493 1
29 . 1 . 1 14 14 THR H H 1 8.664 . . 1 . . . A . 14 THR H . 53493 1
30 . 1 . 1 14 14 THR N N 15 121.726 . . 1 . . . A . 14 THR N . 53493 1
31 . 1 . 1 15 15 LEU H H 1 8.611 . . 1 . . . A . 15 LEU H . 53493 1
32 . 1 . 1 15 15 LEU N N 15 125.136 . . 1 . . . A . 15 LEU N . 53493 1
33 . 1 . 1 16 16 GLU H H 1 8.035 . . 1 . . . A . 16 GLU H . 53493 1
34 . 1 . 1 16 16 GLU N N 15 122.608 . . 1 . . . A . 16 GLU N . 53493 1
35 . 1 . 1 17 17 VAL H H 1 8.865 . . 1 . . . A . 17 VAL H . 53493 1
36 . 1 . 1 17 17 VAL N N 15 117.692 . . 1 . . . A . 17 VAL N . 53493 1
37 . 1 . 1 18 18 GLU H H 1 8.558 . . 1 . . . A . 18 GLU H . 53493 1
38 . 1 . 1 18 18 GLU N N 15 119.349 . . 1 . . . A . 18 GLU N . 53493 1
39 . 1 . 1 20 20 SER H H 1 6.94 . . 1 . . . A . 20 SER H . 53493 1
40 . 1 . 1 20 20 SER N N 15 103.46 . . 1 . . . A . 20 SER N . 53493 1
41 . 1 . 1 21 21 ASP H H 1 7.966 . . 1 . . . A . 21 ASP H . 53493 1
42 . 1 . 1 21 21 ASP N N 15 124.068 . . 1 . . . A . 21 ASP N . 53493 1
43 . 1 . 1 22 22 THR H H 1 7.808 . . 1 . . . A . 22 THR H . 53493 1
44 . 1 . 1 22 22 THR N N 15 109.179 . . 1 . . . A . 22 THR N . 53493 1
45 . 1 . 1 23 23 ILE H H 1 8.432 . . 1 . . . A . 23 ILE H . 53493 1
46 . 1 . 1 23 23 ILE N N 15 121.394 . . 1 . . . A . 23 ILE N . 53493 1
47 . 1 . 1 25 25 ASN H H 1 7.845 . . 1 . . . A . 25 ASN H . 53493 1
48 . 1 . 1 25 25 ASN N N 15 121.513 . . 1 . . . A . 25 ASN N . 53493 1
49 . 1 . 1 26 26 VAL H H 1 8.048 . . 1 . . . A . 26 VAL H . 53493 1
50 . 1 . 1 26 26 VAL N N 15 122.362 . . 1 . . . A . 26 VAL N . 53493 1
51 . 1 . 1 27 27 LYS H H 1 8.436 . . 1 . . . A . 27 LYS H . 53493 1
52 . 1 . 1 27 27 LYS N N 15 119.025 . . 1 . . . A . 27 LYS N . 53493 1
53 . 1 . 1 28 28 ALA H H 1 7.893 . . 1 . . . A . 28 ALA H . 53493 1
54 . 1 . 1 28 28 ALA N N 15 123.424 . . 1 . . . A . 28 ALA N . 53493 1
55 . 1 . 1 29 29 LYS H H 1 7.851 . . 1 . . . A . 29 LYS H . 53493 1
56 . 1 . 1 29 29 LYS N N 15 120.636 . . 1 . . . A . 29 LYS N . 53493 1
57 . 1 . 1 30 30 ILE H H 1 8.186 . . 1 . . . A . 30 ILE H . 53493 1
58 . 1 . 1 30 30 ILE N N 15 121.622 . . 1 . . . A . 30 ILE N . 53493 1
59 . 1 . 1 31 31 GLN H H 1 8.398 . . 1 . . . A . 31 GLN H . 53493 1
60 . 1 . 1 31 31 GLN N N 15 123.514 . . 1 . . . A . 31 GLN N . 53493 1
61 . 1 . 1 32 32 ASP H H 1 8.042 . . 1 . . . A . 32 ASP H . 53493 1
62 . 1 . 1 32 32 ASP N N 15 120.101 . . 1 . . . A . 32 ASP N . 53493 1
63 . 1 . 1 33 33 LYS H H 1 7.455 . . 1 . . . A . 33 LYS H . 53493 1
64 . 1 . 1 33 33 LYS N N 15 115.638 . . 1 . . . A . 33 LYS N . 53493 1
65 . 1 . 1 34 34 GLU H H 1 8.539 . . 1 . . . A . 34 GLU H . 53493 1
66 . 1 . 1 34 34 GLU N N 15 113.55 . . 1 . . . A . 34 GLU N . 53493 1
67 . 1 . 1 35 35 GLY H H 1 8.433 . . 1 . . . A . 35 GLY H . 53493 1
68 . 1 . 1 35 35 GLY N N 15 109.205 . . 1 . . . A . 35 GLY N . 53493 1
69 . 1 . 1 36 36 ILE H H 1 6.061 . . 1 . . . A . 36 ILE H . 53493 1
70 . 1 . 1 36 36 ILE N N 15 120.305 . . 1 . . . A . 36 ILE N . 53493 1
71 . 1 . 1 39 39 ASP H H 1 8.455 . . 1 . . . A . 39 ASP H . 53493 1
72 . 1 . 1 39 39 ASP N N 15 113.792 . . 1 . . . A . 39 ASP N . 53493 1
73 . 1 . 1 40 40 GLN H H 1 7.694 . . 1 . . . A . 40 GLN H . 53493 1
74 . 1 . 1 40 40 GLN N N 15 117.004 . . 1 . . . A . 40 GLN N . 53493 1
75 . 1 . 1 41 41 GLN H H 1 7.393 . . 1 . . . A . 41 GLN H . 53493 1
76 . 1 . 1 41 41 GLN N N 15 117.965 . . 1 . . . A . 41 GLN N . 53493 1
77 . 1 . 1 42 42 ARG H H 1 8.384 . . 1 . . . A . 42 ARG H . 53493 1
78 . 1 . 1 42 42 ARG N N 15 123.167 . . 1 . . . A . 42 ARG N . 53493 1
79 . 1 . 1 43 43 LEU H H 1 8.719 . . 1 . . . A . 43 LEU H . 53493 1
80 . 1 . 1 43 43 LEU N N 15 124.591 . . 1 . . . A . 43 LEU N . 53493 1
81 . 1 . 1 44 44 ILE H H 1 9.069 . . 1 . . . A . 44 ILE H . 53493 1
82 . 1 . 1 44 44 ILE N N 15 122.581 . . 1 . . . A . 44 ILE N . 53493 1
83 . 1 . 1 45 45 PHE H H 1 8.743 . . 1 . . . A . 45 PHE H . 53493 1
84 . 1 . 1 45 45 PHE N N 15 124.962 . . 1 . . . A . 45 PHE N . 53493 1
85 . 1 . 1 46 46 ALA H H 1 8.918 . . 1 . . . A . 46 ALA H . 53493 1
86 . 1 . 1 46 46 ALA N N 15 133.138 . . 1 . . . A . 46 ALA N . 53493 1
87 . 1 . 1 47 47 GLY H H 1 8.039 . . 1 . . . A . 47 GLY H . 53493 1
88 . 1 . 1 47 47 GLY N N 15 102.563 . . 1 . . . A . 47 GLY N . 53493 1
89 . 1 . 1 48 48 LYS H H 1 7.875 . . 1 . . . A . 48 LYS H . 53493 1
90 . 1 . 1 48 48 LYS N N 15 122.145 . . 1 . . . A . 48 LYS N . 53493 1
91 . 1 . 1 49 49 GLN H H 1 8.577 . . 1 . . . A . 49 GLN H . 53493 1
92 . 1 . 1 49 49 GLN N N 15 123.301 . . 1 . . . A . 49 GLN N . 53493 1
93 . 1 . 1 50 50 LEU H H 1 8.486 . . 1 . . . A . 50 LEU H . 53493 1
94 . 1 . 1 50 50 LEU N N 15 125.841 . . 1 . . . A . 50 LEU N . 53493 1
95 . 1 . 1 51 51 GLU H H 1 8.314 . . 1 . . . A . 51 GLU H . 53493 1
96 . 1 . 1 51 51 GLU N N 15 123.255 . . 1 . . . A . 51 GLU N . 53493 1
97 . 1 . 1 52 52 ASP H H 1 8.092 . . 1 . . . A . 52 ASP H . 53493 1
98 . 1 . 1 52 52 ASP N N 15 120.503 . . 1 . . . A . 52 ASP N . 53493 1
99 . 1 . 1 54 54 ARG H H 1 7.378 . . 1 . . . A . 54 ARG H . 53493 1
100 . 1 . 1 54 54 ARG N N 15 119.484 . . 1 . . . A . 54 ARG N . 53493 1
101 . 1 . 1 55 55 THR H H 1 8.741 . . 1 . . . A . 55 THR H . 53493 1
102 . 1 . 1 55 55 THR N N 15 108.873 . . 1 . . . A . 55 THR N . 53493 1
103 . 1 . 1 56 56 LEU H H 1 8.059 . . 1 . . . A . 56 LEU H . 53493 1
104 . 1 . 1 56 56 LEU N N 15 118.108 . . 1 . . . A . 56 LEU N . 53493 1
105 . 1 . 1 57 57 SER H H 1 8.409 . . 1 . . . A . 57 SER H . 53493 1
106 . 1 . 1 57 57 SER N N 15 113.619 . . 1 . . . A . 57 SER N . 53493 1
107 . 1 . 1 58 58 ASP H H 1 7.856 . . 1 . . . A . 58 ASP H . 53493 1
108 . 1 . 1 58 58 ASP N N 15 124.677 . . 1 . . . A . 58 ASP N . 53493 1
109 . 1 . 1 59 59 TYR H H 1 7.168 . . 1 . . . A . 59 TYR H . 53493 1
110 . 1 . 1 59 59 TYR N N 15 115.889 . . 1 . . . A . 59 TYR N . 53493 1
111 . 1 . 1 60 60 ASN H H 1 8.065 . . 1 . . . A . 60 ASN H . 53493 1
112 . 1 . 1 60 60 ASN N N 15 116.076 . . 1 . . . A . 60 ASN N . 53493 1
113 . 1 . 1 61 61 ILE H H 1 7.162 . . 1 . . . A . 61 ILE H . 53493 1
114 . 1 . 1 61 61 ILE N N 15 119.067 . . 1 . . . A . 61 ILE N . 53493 1
115 . 1 . 1 62 62 GLN H H 1 7.543 . . 1 . . . A . 62 GLN H . 53493 1
116 . 1 . 1 62 62 GLN N N 15 125.018 . . 1 . . . A . 62 GLN N . 53493 1
117 . 1 . 1 63 63 LYS H H 1 8.412 . . 1 . . . A . 63 LYS H . 53493 1
118 . 1 . 1 63 63 LYS N N 15 120.685 . . 1 . . . A . 63 LYS N . 53493 1
119 . 1 . 1 64 64 GLU H H 1 9.233 . . 1 . . . A . 64 GLU H . 53493 1
120 . 1 . 1 64 64 GLU N N 15 114.847 . . 1 . . . A . 64 GLU N . 53493 1
121 . 1 . 1 65 65 SER H H 1 7.595 . . 1 . . . A . 65 SER H . 53493 1
122 . 1 . 1 65 65 SER N N 15 115.095 . . 1 . . . A . 65 SER N . 53493 1
123 . 1 . 1 66 66 THR H H 1 8.629 . . 1 . . . A . 66 THR H . 53493 1
124 . 1 . 1 66 66 THR N N 15 117.491 . . 1 . . . A . 66 THR N . 53493 1
125 . 1 . 1 67 67 LEU H H 1 9.326 . . 1 . . . A . 67 LEU H . 53493 1
126 . 1 . 1 67 67 LEU N N 15 127.97 . . 1 . . . A . 67 LEU N . 53493 1
127 . 1 . 1 68 68 HIS H H 1 9.138 . . 1 . . . A . 68 HIS H . 53493 1
128 . 1 . 1 68 68 HIS N N 15 119.794 . . 1 . . . A . 68 HIS N . 53493 1
129 . 1 . 1 69 69 LEU H H 1 8.243 . . 1 . . . A . 69 LEU H . 53493 1
130 . 1 . 1 69 69 LEU N N 15 124.007 . . 1 . . . A . 69 LEU N . 53493 1
131 . 1 . 1 70 70 VAL H H 1 9.097 . . 1 . . . A . 70 VAL H . 53493 1
132 . 1 . 1 70 70 VAL N N 15 127.272 . . 1 . . . A . 70 VAL N . 53493 1
133 . 1 . 1 71 71 LEU H H 1 8.096 . . 1 . . . A . 71 LEU H . 53493 1
134 . 1 . 1 71 71 LEU N N 15 123.918 . . 1 . . . A . 71 LEU N . 53493 1
135 . 1 . 1 72 72 ARG H H 1 8.536 . . 1 . . . A . 72 ARG H . 53493 1
136 . 1 . 1 72 72 ARG N N 15 124.188 . . 1 . . . A . 72 ARG N . 53493 1
137 . 1 . 1 73 73 LEU H H 1 8.258 . . 1 . . . A . 73 LEU H . 53493 1
138 . 1 . 1 73 73 LEU N N 15 124.408 . . 1 . . . A . 73 LEU N . 53493 1
139 . 1 . 1 74 74 ARG H H 1 8.37 . . 1 . . . A . 74 ARG H . 53493 1
140 . 1 . 1 74 74 ARG N N 15 122.071 . . 1 . . . A . 74 ARG N . 53493 1
141 . 1 . 1 75 75 GLY H H 1 8.433 . . 1 . . . A . 75 GLY H . 53493 1
142 . 1 . 1 75 75 GLY N N 15 111.233 . . 1 . . . A . 75 GLY N . 53493 1
143 . 1 . 1 76 76 GLY H H 1 7.869 . . 1 . . . A . 76 GLY H . 53493 1
144 . 1 . 1 76 76 GLY N N 15 115.162 . . 1 . . . A . 76 GLY N . 53493 1
stop_
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