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 52127
_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
;
The NZ atom of LYS 48 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 6 lost two hydrogens and got
transformed into an amide group (NH).
;
_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' . . . 52127 1
3 '3D 1H-15N NOESY' . . . 52127 1
5 '3D 1H-15N TOCSY' . . . 52127 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 . . 52127 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 8.878 . . 1 . . . A . 2 GLN H . 52127 1
2 . 1 . 1 2 2 GLN N N 15 122.997 . . 1 . . . A . 2 GLN N . 52127 1
3 . 1 . 1 3 3 ILE H H 1 8.213 . . 1 . . . A . 3 ILE H . 52127 1
4 . 1 . 1 3 3 ILE N N 15 115.12 . . 1 . . . A . 3 ILE N . 52127 1
5 . 1 . 1 4 4 PHE H H 1 8.496 . . 1 . . . A . 4 PHE H . 52127 1
6 . 1 . 1 4 4 PHE N N 15 118.681 . . 1 . . . A . 4 PHE N . 52127 1
7 . 1 . 1 5 5 VAL H H 1 9.218 . . 1 . . . A . 5 VAL H . 52127 1
8 . 1 . 1 5 5 VAL N N 15 121.569 . . 1 . . . A . 5 VAL N . 52127 1
9 . 1 . 1 6 6 LYS H H 1 8.915 . . 1 . . . A . 6 LYS H . 52127 1
10 . 1 . 1 6 6 LYS N N 15 128.042 . . 1 . . . A . 6 LYS N . 52127 1
11 . 1 . 1 7 7 THR H H 1 8.656 . . 1 . . . A . 7 THR H . 52127 1
12 . 1 . 1 7 7 THR N N 15 114.873 . . 1 . . . A . 7 THR N . 52127 1
13 . 1 . 1 8 8 LEU H H 1 9.086 . . 1 . . . A . 8 LEU H . 52127 1
14 . 1 . 1 8 8 LEU N N 15 121.126 . . 1 . . . A . 8 LEU N . 52127 1
15 . 1 . 1 9 9 THR H H 1 7.525 . . 1 . . . A . 9 THR H . 52127 1
16 . 1 . 1 9 9 THR N N 15 105.774 . . 1 . . . A . 9 THR N . 52127 1
17 . 1 . 1 10 10 GLY H H 1 7.666 . . 1 . . . A . 10 GLY H . 52127 1
18 . 1 . 1 10 10 GLY N N 15 109.159 . . 1 . . . A . 10 GLY N . 52127 1
19 . 1 . 1 11 11 LYS H H 1 7.224 . . 1 . . . A . 11 LYS H . 52127 1
20 . 1 . 1 11 11 LYS N N 15 122.067 . . 1 . . . A . 11 LYS N . 52127 1
21 . 1 . 1 12 12 THR H H 1 8.576 . . 1 . . . A . 12 THR H . 52127 1
22 . 1 . 1 12 12 THR N N 15 120.86 . . 1 . . . A . 12 THR N . 52127 1
23 . 1 . 1 13 13 ILE H H 1 9.503 . . 1 . . . A . 13 ILE H . 52127 1
24 . 1 . 1 13 13 ILE N N 15 128.101 . . 1 . . . A . 13 ILE N . 52127 1
25 . 1 . 1 14 14 THR H H 1 8.659 . . 1 . . . A . 14 THR H . 52127 1
26 . 1 . 1 14 14 THR N N 15 121.87 . . 1 . . . A . 14 THR N . 52127 1
27 . 1 . 1 15 15 LEU H H 1 8.621 . . 1 . . . A . 15 LEU H . 52127 1
28 . 1 . 1 15 15 LEU N N 15 125.21 . . 1 . . . A . 15 LEU N . 52127 1
29 . 1 . 1 16 16 GLU H H 1 8.03 . . 1 . . . A . 16 GLU H . 52127 1
30 . 1 . 1 16 16 GLU N N 15 122.38 . . 1 . . . A . 16 GLU N . 52127 1
31 . 1 . 1 17 17 VAL H H 1 8.859 . . 1 . . . A . 17 VAL H . 52127 1
32 . 1 . 1 17 17 VAL N N 15 117.602 . . 1 . . . A . 17 VAL N . 52127 1
33 . 1 . 1 18 18 GLU H H 1 8.568 . . 1 . . . A . 18 GLU H . 52127 1
34 . 1 . 1 18 18 GLU N N 15 119.328 . . 1 . . . A . 18 GLU N . 52127 1
35 . 1 . 1 20 20 SER H H 1 6.941 . . 1 . . . A . 20 SER H . 52127 1
36 . 1 . 1 20 20 SER N N 15 103.456 . . 1 . . . A . 20 SER N . 52127 1
37 . 1 . 1 21 21 ASP H H 1 7.962 . . 1 . . . A . 21 ASP H . 52127 1
38 . 1 . 1 21 21 ASP N N 15 123.993 . . 1 . . . A . 21 ASP N . 52127 1
39 . 1 . 1 22 22 THR H H 1 7.794 . . 1 . . . A . 22 THR H . 52127 1
40 . 1 . 1 22 22 THR N N 15 109.102 . . 1 . . . A . 22 THR N . 52127 1
41 . 1 . 1 23 23 ILE H H 1 8.415 . . 1 . . . A . 23 ILE H . 52127 1
42 . 1 . 1 23 23 ILE N N 15 121.382 . . 1 . . . A . 23 ILE N . 52127 1
43 . 1 . 1 25 25 ASN H H 1 7.848 . . 1 . . . A . 25 ASN H . 52127 1
44 . 1 . 1 25 25 ASN N N 15 121.529 . . 1 . . . A . 25 ASN N . 52127 1
45 . 1 . 1 26 26 VAL H H 1 8.03 . . 1 . . . A . 26 VAL H . 52127 1
46 . 1 . 1 26 26 VAL N N 15 122.38 . . 1 . . . A . 26 VAL N . 52127 1
47 . 1 . 1 27 27 LYS H H 1 8.467 . . 1 . . . A . 27 LYS H . 52127 1
48 . 1 . 1 27 27 LYS N N 15 118.954 . . 1 . . . A . 27 LYS N . 52127 1
49 . 1 . 1 28 28 ALA H H 1 7.871 . . 1 . . . A . 28 ALA H . 52127 1
50 . 1 . 1 28 28 ALA N N 15 123.464 . . 1 . . . A . 28 ALA N . 52127 1
51 . 1 . 1 29 29 LYS H H 1 7.762 . . 1 . . . A . 29 LYS H . 52127 1
52 . 1 . 1 29 29 LYS N N 15 120.305 . . 1 . . . A . 29 LYS N . 52127 1
53 . 1 . 1 30 30 ILE H H 1 8.189 . . 1 . . . A . 30 ILE H . 52127 1
54 . 1 . 1 30 30 ILE N N 15 121.47 . . 1 . . . A . 30 ILE N . 52127 1
55 . 1 . 1 31 31 GLN H H 1 8.477 . . 1 . . . A . 31 GLN H . 52127 1
56 . 1 . 1 31 31 GLN N N 15 123.667 . . 1 . . . A . 31 GLN N . 52127 1
57 . 1 . 1 32 32 ASP H H 1 7.944 . . 1 . . . A . 32 ASP H . 52127 1
58 . 1 . 1 32 32 ASP N N 15 119.837 . . 1 . . . A . 32 ASP N . 52127 1
59 . 1 . 1 33 33 LYS H H 1 7.339 . . 1 . . . A . 33 LYS H . 52127 1
60 . 1 . 1 33 33 LYS N N 15 115.55 . . 1 . . . A . 33 LYS N . 52127 1
61 . 1 . 1 34 34 GLU H H 1 8.634 . . 1 . . . A . 34 GLU H . 52127 1
62 . 1 . 1 34 34 GLU N N 15 114.258 . . 1 . . . A . 34 GLU N . 52127 1
63 . 1 . 1 35 35 GLY H H 1 8.41 . . 1 . . . A . 35 GLY H . 52127 1
64 . 1 . 1 35 35 GLY N N 15 108.983 . . 1 . . . A . 35 GLY N . 52127 1
65 . 1 . 1 36 36 ILE H H 1 6.054 . . 1 . . . A . 36 ILE H . 52127 1
66 . 1 . 1 36 36 ILE N N 15 120.447 . . 1 . . . A . 36 ILE N . 52127 1
67 . 1 . 1 39 39 ASP H H 1 8.457 . . 1 . . . A . 39 ASP H . 52127 1
68 . 1 . 1 39 39 ASP N N 15 113.711 . . 1 . . . A . 39 ASP N . 52127 1
69 . 1 . 1 40 40 GLN H H 1 7.705 . . 1 . . . A . 40 GLN H . 52127 1
70 . 1 . 1 40 40 GLN N N 15 116.947 . . 1 . . . A . 40 GLN N . 52127 1
71 . 1 . 1 41 41 GLN H H 1 7.381 . . 1 . . . A . 41 GLN H . 52127 1
72 . 1 . 1 41 41 GLN N N 15 117.918 . . 1 . . . A . 41 GLN N . 52127 1
73 . 1 . 1 42 42 ARG H H 1 8.424 . . 1 . . . A . 42 ARG H . 52127 1
74 . 1 . 1 42 42 ARG N N 15 122.927 . . 1 . . . A . 42 ARG N . 52127 1
75 . 1 . 1 43 43 LEU H H 1 8.734 . . 1 . . . A . 43 LEU H . 52127 1
76 . 1 . 1 43 43 LEU N N 15 124.342 . . 1 . . . A . 43 LEU N . 52127 1
77 . 1 . 1 44 44 ILE H H 1 9.047 . . 1 . . . A . 44 ILE H . 52127 1
78 . 1 . 1 44 44 ILE N N 15 122.499 . . 1 . . . A . 44 ILE N . 52127 1
79 . 1 . 1 45 45 PHE H H 1 8.804 . . 1 . . . A . 45 PHE H . 52127 1
80 . 1 . 1 45 45 PHE N N 15 125.352 . . 1 . . . A . 45 PHE N . 52127 1
81 . 1 . 1 46 46 ALA H H 1 8.849 . . 1 . . . A . 46 ALA H . 52127 1
82 . 1 . 1 46 46 ALA N N 15 132.551 . . 1 . . . A . 46 ALA N . 52127 1
83 . 1 . 1 47 47 GLY H H 1 8.039 . . 1 . . . A . 47 GLY H . 52127 1
84 . 1 . 1 47 47 GLY N N 15 102.321 . . 1 . . . A . 47 GLY N . 52127 1
85 . 1 . 1 48 48 LYS H H 1 7.909 . . 1 . . . A . 48 LYS H . 52127 1
86 . 1 . 1 48 48 LYS HZ H 1 7.98 . . 1 . . . A . 48 LYS HZ . 52127 1
87 . 1 . 1 48 48 LYS N N 15 122.214 . . 1 . . . A . 48 LYS N . 52127 1
88 . 1 . 1 48 48 LYS NZ N 15 120.832 . . 1 . . . A . 48 LYS NZ . 52127 1
89 . 1 . 1 49 49 GLN H H 1 8.585 . . 1 . . . A . 49 GLN H . 52127 1
90 . 1 . 1 49 49 GLN N N 15 123.716 . . 1 . . . A . 49 GLN N . 52127 1
91 . 1 . 1 50 50 LEU H H 1 8.51 . . 1 . . . A . 50 LEU H . 52127 1
92 . 1 . 1 50 50 LEU N N 15 125.942 . . 1 . . . A . 50 LEU N . 52127 1
93 . 1 . 1 51 51 GLU H H 1 8.293 . . 1 . . . A . 51 GLU H . 52127 1
94 . 1 . 1 51 51 GLU N N 15 122.849 . . 1 . . . A . 51 GLU N . 52127 1
95 . 1 . 1 52 52 ASP H H 1 8.099 . . 1 . . . A . 52 ASP H . 52127 1
96 . 1 . 1 52 52 ASP N N 15 120.582 . . 1 . . . A . 52 ASP N . 52127 1
97 . 1 . 1 54 54 ARG H H 1 7.362 . . 1 . . . A . 54 ARG H . 52127 1
98 . 1 . 1 54 54 ARG N N 15 119.367 . . 1 . . . A . 54 ARG N . 52127 1
99 . 1 . 1 55 55 THR H H 1 8.723 . . 1 . . . A . 55 THR H . 52127 1
100 . 1 . 1 55 55 THR N N 15 108.848 . . 1 . . . A . 55 THR N . 52127 1
101 . 1 . 1 56 56 LEU H H 1 8.057 . . 1 . . . A . 56 LEU H . 52127 1
102 . 1 . 1 56 56 LEU N N 15 118.048 . . 1 . . . A . 56 LEU N . 52127 1
103 . 1 . 1 57 57 SER H H 1 8.392 . . 1 . . . A . 57 SER H . 52127 1
104 . 1 . 1 57 57 SER N N 15 113.439 . . 1 . . . A . 57 SER N . 52127 1
105 . 1 . 1 58 58 ASP H H 1 7.85 . . 1 . . . A . 58 ASP H . 52127 1
106 . 1 . 1 58 58 ASP N N 15 124.734 . . 1 . . . A . 58 ASP N . 52127 1
107 . 1 . 1 59 59 TYR H H 1 7.121 . . 1 . . . A . 59 TYR H . 52127 1
108 . 1 . 1 59 59 TYR N N 15 115.622 . . 1 . . . A . 59 TYR N . 52127 1
109 . 1 . 1 60 60 ASN H H 1 8.052 . . 1 . . . A . 60 ASN H . 52127 1
110 . 1 . 1 60 60 ASN N N 15 115.822 . . 1 . . . A . 60 ASN N . 52127 1
111 . 1 . 1 61 61 ILE H H 1 7.17 . . 1 . . . A . 61 ILE H . 52127 1
112 . 1 . 1 61 61 ILE N N 15 119.058 . . 1 . . . A . 61 ILE N . 52127 1
113 . 1 . 1 62 62 GLN H H 1 7.545 . . 1 . . . A . 62 GLN H . 52127 1
114 . 1 . 1 62 62 GLN N N 15 124.991 . . 1 . . . A . 62 GLN N . 52127 1
115 . 1 . 1 63 63 LYS H H 1 8.41 . . 1 . . . A . 63 LYS H . 52127 1
116 . 1 . 1 63 63 LYS N N 15 120.645 . . 1 . . . A . 63 LYS N . 52127 1
117 . 1 . 1 64 64 GLU H H 1 9.233 . . 1 . . . A . 64 GLU H . 52127 1
118 . 1 . 1 64 64 GLU N N 15 114.746 . . 1 . . . A . 64 GLU N . 52127 1
119 . 1 . 1 65 65 SER H H 1 7.585 . . 1 . . . A . 65 SER H . 52127 1
120 . 1 . 1 65 65 SER N N 15 115.02 . . 1 . . . A . 65 SER N . 52127 1
121 . 1 . 1 66 66 THR H H 1 8.622 . . 1 . . . A . 66 THR H . 52127 1
122 . 1 . 1 66 66 THR N N 15 117.509 . . 1 . . . A . 66 THR N . 52127 1
123 . 1 . 1 67 67 LEU H H 1 9.304 . . 1 . . . A . 67 LEU H . 52127 1
124 . 1 . 1 67 67 LEU N N 15 128.011 . . 1 . . . A . 67 LEU N . 52127 1
125 . 1 . 1 68 68 HIS H H 1 9.118 . . 1 . . . A . 68 HIS H . 52127 1
126 . 1 . 1 68 68 HIS N N 15 119.352 . . 1 . . . A . 68 HIS N . 52127 1
127 . 1 . 1 69 69 LEU H H 1 8.201 . . 1 . . . A . 69 LEU H . 52127 1
128 . 1 . 1 69 69 LEU N N 15 123.681 . . 1 . . . A . 69 LEU N . 52127 1
129 . 1 . 1 70 70 VAL H H 1 9.022 . . 1 . . . A . 70 VAL H . 52127 1
130 . 1 . 1 70 70 VAL N N 15 126.202 . . 1 . . . A . 70 VAL N . 52127 1
131 . 1 . 1 71 71 LEU H H 1 7.988 . . 1 . . . A . 71 LEU H . 52127 1
132 . 1 . 1 71 71 LEU N N 15 123.143 . . 1 . . . A . 71 LEU N . 52127 1
133 . 1 . 1 72 72 ARG H H 1 8.567 . . 1 . . . A . 72 ARG H . 52127 1
134 . 1 . 1 72 72 ARG N N 15 123.46 . . 1 . . . A . 72 ARG N . 52127 1
135 . 1 . 1 73 73 LEU H H 1 8.356 . . 1 . . . A . 73 LEU H . 52127 1
136 . 1 . 1 73 73 LEU N N 15 124.998 . . 1 . . . A . 73 LEU N . 52127 1
137 . 1 . 1 74 74 ARG H H 1 8.401 . . 1 . . . A . 74 ARG H . 52127 1
138 . 1 . 1 74 74 ARG N N 15 121.982 . . 1 . . . A . 74 ARG N . 52127 1
139 . 1 . 1 75 75 GLY H H 1 8.482 . . 1 . . . A . 75 GLY H . 52127 1
140 . 1 . 1 75 75 GLY N N 15 110.794 . . 1 . . . A . 75 GLY N . 52127 1
141 . 1 . 1 76 76 GLY H H 1 8.153 . . 1 . . . A . 76 GLY H . 52127 1
142 . 1 . 1 76 76 GLY N N 15 109.343 . . 1 . . . A . 76 GLY N . 52127 1
143 . 1 . 1 77 77 ASP H H 1 7.891 . . 1 . . . A . 77 ASP H . 52127 1
144 . 1 . 1 77 77 ASP N N 15 125.711 . . 1 . . . A . 77 ASP N . 52127 1
stop_
save_