###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
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 52078
_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 6 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).
This is why 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 as HZ.
;
_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' . . . 52078 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 . . 52078 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 8.87 . . 1 . . . A . 2 GLN H . 52078 1
2 . 1 . 1 2 2 GLN N N 15 122.909 . . 1 . . . A . 2 GLN N . 52078 1
3 . 1 . 1 3 3 ILE H H 1 8.205 . . 1 . . . A . 3 ILE H . 52078 1
4 . 1 . 1 3 3 ILE N N 15 115.11 . . 1 . . . A . 3 ILE N . 52078 1
5 . 1 . 1 4 4 PHE H H 1 8.509 . . 1 . . . A . 4 PHE H . 52078 1
6 . 1 . 1 4 4 PHE N N 15 118.699 . . 1 . . . A . 4 PHE N . 52078 1
7 . 1 . 1 5 5 VAL H H 1 9.193 . . 1 . . . A . 5 VAL H . 52078 1
8 . 1 . 1 5 5 VAL N N 15 121.424 . . 1 . . . A . 5 VAL N . 52078 1
9 . 1 . 1 6 6 LYS H H 1 8.924 . . 1 . . . A . 6 LYS H . 52078 1
10 . 1 . 1 6 6 LYS HZ H 1 7.672 . . 1 . . . A . 6 LYS HZ . 52078 1
11 . 1 . 1 6 6 LYS N N 15 128.758 . . 1 . . . A . 6 LYS N . 52078 1
12 . 1 . 1 6 6 LYS NZ N 15 120.303 . . 1 . . . A . 6 LYS NZ . 52078 1
13 . 1 . 1 7 7 THR H H 1 8.701 . . 1 . . . A . 7 THR H . 52078 1
14 . 1 . 1 7 7 THR N N 15 115.973 . . 1 . . . A . 7 THR N . 52078 1
15 . 1 . 1 8 8 LEU H H 1 9.021 . . 1 . . . A . 8 LEU H . 52078 1
16 . 1 . 1 8 8 LEU N N 15 120.794 . . 1 . . . A . 8 LEU N . 52078 1
17 . 1 . 1 9 9 THR H H 1 7.517 . . 1 . . . A . 9 THR H . 52078 1
18 . 1 . 1 9 9 THR N N 15 105.498 . . 1 . . . A . 9 THR N . 52078 1
19 . 1 . 1 10 10 GLY H H 1 7.755 . . 1 . . . A . 10 GLY H . 52078 1
20 . 1 . 1 10 10 GLY N N 15 109.282 . . 1 . . . A . 10 GLY N . 52078 1
21 . 1 . 1 11 11 LYS H H 1 7.197 . . 1 . . . A . 11 LYS H . 52078 1
22 . 1 . 1 11 11 LYS N N 15 121.873 . . 1 . . . A . 11 LYS N . 52078 1
23 . 1 . 1 12 12 THR H H 1 8.543 . . 1 . . . A . 12 THR H . 52078 1
24 . 1 . 1 12 12 THR N N 15 120.645 . . 1 . . . A . 12 THR N . 52078 1
25 . 1 . 1 13 13 ILE H H 1 9.467 . . 1 . . . A . 13 ILE H . 52078 1
26 . 1 . 1 13 13 ILE N N 15 127.653 . . 1 . . . A . 13 ILE N . 52078 1
27 . 1 . 1 14 14 THR H H 1 8.652 . . 1 . . . A . 14 THR H . 52078 1
28 . 1 . 1 14 14 THR N N 15 121.681 . . 1 . . . A . 14 THR N . 52078 1
29 . 1 . 1 15 15 LEU H H 1 8.637 . . 1 . . . A . 15 LEU H . 52078 1
30 . 1 . 1 15 15 LEU N N 15 125.207 . . 1 . . . A . 15 LEU N . 52078 1
31 . 1 . 1 16 16 GLU H H 1 8.024 . . 1 . . . A . 16 GLU H . 52078 1
32 . 1 . 1 16 16 GLU N N 15 122.404 . . 1 . . . A . 16 GLU N . 52078 1
33 . 1 . 1 17 17 VAL H H 1 8.854 . . 1 . . . A . 17 VAL H . 52078 1
34 . 1 . 1 17 17 VAL N N 15 117.612 . . 1 . . . A . 17 VAL N . 52078 1
35 . 1 . 1 18 18 GLU H H 1 8.556 . . 1 . . . A . 18 GLU H . 52078 1
36 . 1 . 1 18 18 GLU N N 15 119.305 . . 1 . . . A . 18 GLU N . 52078 1
37 . 1 . 1 20 20 SER H H 1 6.936 . . 1 . . . A . 20 SER H . 52078 1
38 . 1 . 1 20 20 SER N N 15 103.452 . . 1 . . . A . 20 SER N . 52078 1
39 . 1 . 1 21 21 ASP H H 1 7.963 . . 1 . . . A . 21 ASP H . 52078 1
40 . 1 . 1 21 21 ASP N N 15 124.008 . . 1 . . . A . 21 ASP N . 52078 1
41 . 1 . 1 22 22 THR H H 1 7.797 . . 1 . . . A . 22 THR H . 52078 1
42 . 1 . 1 22 22 THR N N 15 109.11 . . 1 . . . A . 22 THR N . 52078 1
43 . 1 . 1 23 23 ILE H H 1 8.423 . . 1 . . . A . 23 ILE H . 52078 1
44 . 1 . 1 23 23 ILE N N 15 121.251 . . 1 . . . A . 23 ILE N . 52078 1
45 . 1 . 1 25 25 ASN H H 1 7.836 . . 1 . . . A . 25 ASN H . 52078 1
46 . 1 . 1 25 25 ASN N N 15 121.6 . . 1 . . . A . 25 ASN N . 52078 1
47 . 1 . 1 26 26 VAL H H 1 8.024 . . 1 . . . A . 26 VAL H . 52078 1
48 . 1 . 1 26 26 VAL N N 15 122.404 . . 1 . . . A . 26 VAL N . 52078 1
49 . 1 . 1 27 27 LYS H H 1 8.469 . . 1 . . . A . 27 LYS H . 52078 1
50 . 1 . 1 27 27 LYS N N 15 118.982 . . 1 . . . A . 27 LYS N . 52078 1
51 . 1 . 1 28 28 ALA H H 1 7.875 . . 1 . . . A . 28 ALA H . 52078 1
52 . 1 . 1 28 28 ALA N N 15 123.467 . . 1 . . . A . 28 ALA N . 52078 1
53 . 1 . 1 29 29 LYS H H 1 7.774 . . 1 . . . A . 29 LYS H . 52078 1
54 . 1 . 1 29 29 LYS N N 15 120.323 . . 1 . . . A . 29 LYS N . 52078 1
55 . 1 . 1 30 30 ILE H H 1 8.186 . . 1 . . . A . 30 ILE H . 52078 1
56 . 1 . 1 30 30 ILE N N 15 121.446 . . 1 . . . A . 30 ILE N . 52078 1
57 . 1 . 1 31 31 GLN H H 1 8.46 . . 1 . . . A . 31 GLN H . 52078 1
58 . 1 . 1 31 31 GLN N N 15 123.626 . . 1 . . . A . 31 GLN N . 52078 1
59 . 1 . 1 32 32 ASP H H 1 7.963 . . 1 . . . A . 32 ASP H . 52078 1
60 . 1 . 1 32 32 ASP N N 15 119.876 . . 1 . . . A . 32 ASP N . 52078 1
61 . 1 . 1 33 33 LYS H H 1 7.341 . . 1 . . . A . 33 LYS H . 52078 1
62 . 1 . 1 33 33 LYS N N 15 115.611 . . 1 . . . A . 33 LYS N . 52078 1
63 . 1 . 1 34 34 GLU H H 1 8.626 . . 1 . . . A . 34 GLU H . 52078 1
64 . 1 . 1 34 34 GLU N N 15 114.334 . . 1 . . . A . 34 GLU N . 52078 1
65 . 1 . 1 35 35 GLY H H 1 8.41 . . 1 . . . A . 35 GLY H . 52078 1
66 . 1 . 1 35 35 GLY N N 15 108.99 . . 1 . . . A . 35 GLY N . 52078 1
67 . 1 . 1 36 36 ILE H H 1 6.052 . . 1 . . . A . 36 ILE H . 52078 1
68 . 1 . 1 36 36 ILE N N 15 120.474 . . 1 . . . A . 36 ILE N . 52078 1
69 . 1 . 1 39 39 ASP H H 1 8.451 . . 1 . . . A . 39 ASP H . 52078 1
70 . 1 . 1 39 39 ASP N N 15 113.723 . . 1 . . . A . 39 ASP N . 52078 1
71 . 1 . 1 40 40 GLN H H 1 7.72 . . 1 . . . A . 40 GLN H . 52078 1
72 . 1 . 1 40 40 GLN N N 15 116.973 . . 1 . . . A . 40 GLN N . 52078 1
73 . 1 . 1 41 41 GLN H H 1 7.39 . . 1 . . . A . 41 GLN H . 52078 1
74 . 1 . 1 41 41 GLN N N 15 118.051 . . 1 . . . A . 41 GLN N . 52078 1
75 . 1 . 1 42 42 ARG H H 1 8.387 . . 1 . . . A . 42 ARG H . 52078 1
76 . 1 . 1 42 42 ARG N N 15 123.142 . . 1 . . . A . 42 ARG N . 52078 1
77 . 1 . 1 43 43 LEU H H 1 8.788 . . 1 . . . A . 43 LEU H . 52078 1
78 . 1 . 1 43 43 LEU N N 15 124.709 . . 1 . . . A . 43 LEU N . 52078 1
79 . 1 . 1 44 44 ILE H H 1 9.059 . . 1 . . . A . 44 ILE H . 52078 1
80 . 1 . 1 44 44 ILE N N 15 122.55 . . 1 . . . A . 44 ILE N . 52078 1
81 . 1 . 1 45 45 PHE H H 1 8.786 . . 1 . . . A . 45 PHE H . 52078 1
82 . 1 . 1 45 45 PHE N N 15 124.911 . . 1 . . . A . 45 PHE N . 52078 1
83 . 1 . 1 46 46 ALA H H 1 8.938 . . 1 . . . A . 46 ALA H . 52078 1
84 . 1 . 1 46 46 ALA N N 15 133.009 . . 1 . . . A . 46 ALA N . 52078 1
85 . 1 . 1 47 47 GLY H H 1 8.055 . . 1 . . . A . 47 GLY H . 52078 1
86 . 1 . 1 47 47 GLY N N 15 102.461 . . 1 . . . A . 47 GLY N . 52078 1
87 . 1 . 1 48 48 LYS H H 1 7.886 . . 1 . . . A . 48 LYS H . 52078 1
88 . 1 . 1 48 48 LYS N N 15 122.104 . . 1 . . . A . 48 LYS N . 52078 1
89 . 1 . 1 49 49 GLN H H 1 8.509 . . 1 . . . A . 49 GLN H . 52078 1
90 . 1 . 1 49 49 GLN N N 15 123.21 . . 1 . . . A . 49 GLN N . 52078 1
91 . 1 . 1 50 50 LEU H H 1 8.476 . . 1 . . . A . 50 LEU H . 52078 1
92 . 1 . 1 50 50 LEU N N 15 125.854 . . 1 . . . A . 50 LEU N . 52078 1
93 . 1 . 1 51 51 GLU H H 1 8.308 . . 1 . . . A . 51 GLU H . 52078 1
94 . 1 . 1 51 51 GLU N N 15 123.121 . . 1 . . . A . 51 GLU N . 52078 1
95 . 1 . 1 52 52 ASP H H 1 8.088 . . 1 . . . A . 52 ASP H . 52078 1
96 . 1 . 1 52 52 ASP N N 15 120.449 . . 1 . . . A . 52 ASP N . 52078 1
97 . 1 . 1 54 54 ARG H H 1 7.373 . . 1 . . . A . 54 ARG H . 52078 1
98 . 1 . 1 54 54 ARG N N 15 119.444 . . 1 . . . A . 54 ARG N . 52078 1
99 . 1 . 1 55 55 THR H H 1 8.752 . . 1 . . . A . 55 THR H . 52078 1
100 . 1 . 1 55 55 THR N N 15 108.938 . . 1 . . . A . 55 THR N . 52078 1
101 . 1 . 1 56 56 LEU H H 1 8.057 . . 1 . . . A . 56 LEU H . 52078 1
102 . 1 . 1 56 56 LEU N N 15 118.07 . . 1 . . . A . 56 LEU N . 52078 1
103 . 1 . 1 57 57 SER H H 1 8.397 . . 1 . . . A . 57 SER H . 52078 1
104 . 1 . 1 57 57 SER N N 15 113.59 . . 1 . . . A . 57 SER N . 52078 1
105 . 1 . 1 58 58 ASP H H 1 7.839 . . 1 . . . A . 58 ASP H . 52078 1
106 . 1 . 1 58 58 ASP N N 15 124.616 . . 1 . . . A . 58 ASP N . 52078 1
107 . 1 . 1 59 59 TYR H H 1 7.169 . . 1 . . . A . 59 TYR H . 52078 1
108 . 1 . 1 59 59 TYR N N 15 115.846 . . 1 . . . A . 59 TYR N . 52078 1
109 . 1 . 1 60 60 ASN H H 1 8.057 . . 1 . . . A . 60 ASN H . 52078 1
110 . 1 . 1 60 60 ASN N N 15 115.933 . . 1 . . . A . 60 ASN N . 52078 1
111 . 1 . 1 61 61 ILE H H 1 7.133 . . 1 . . . A . 61 ILE H . 52078 1
112 . 1 . 1 61 61 ILE N N 15 118.958 . . 1 . . . A . 61 ILE N . 52078 1
113 . 1 . 1 62 62 GLN H H 1 7.538 . . 1 . . . A . 62 GLN H . 52078 1
114 . 1 . 1 62 62 GLN N N 15 125.026 . . 1 . . . A . 62 GLN N . 52078 1
115 . 1 . 1 63 63 LYS H H 1 8.41 . . 1 . . . A . 63 LYS H . 52078 1
116 . 1 . 1 63 63 LYS N N 15 120.668 . . 1 . . . A . 63 LYS N . 52078 1
117 . 1 . 1 64 64 GLU H H 1 9.23 . . 1 . . . A . 64 GLU H . 52078 1
118 . 1 . 1 64 64 GLU N N 15 114.734 . . 1 . . . A . 64 GLU N . 52078 1
119 . 1 . 1 65 65 SER H H 1 7.57 . . 1 . . . A . 65 SER H . 52078 1
120 . 1 . 1 65 65 SER N N 15 115 . . 1 . . . A . 65 SER N . 52078 1
121 . 1 . 1 66 66 THR H H 1 8.61 . . 1 . . . A . 66 THR H . 52078 1
122 . 1 . 1 66 66 THR N N 15 117.599 . . 1 . . . A . 66 THR N . 52078 1
123 . 1 . 1 67 67 LEU H H 1 9.314 . . 1 . . . A . 67 LEU H . 52078 1
124 . 1 . 1 67 67 LEU N N 15 127.954 . . 1 . . . A . 67 LEU N . 52078 1
125 . 1 . 1 68 68 HIS H H 1 9.128 . . 1 . . . A . 68 HIS H . 52078 1
126 . 1 . 1 68 68 HIS N N 15 119.454 . . 1 . . . A . 68 HIS N . 52078 1
127 . 1 . 1 69 69 LEU H H 1 8.233 . . 1 . . . A . 69 LEU H . 52078 1
128 . 1 . 1 69 69 LEU N N 15 123.772 . . 1 . . . A . 69 LEU N . 52078 1
129 . 1 . 1 70 70 VAL H H 1 9.073 . . 1 . . . A . 70 VAL H . 52078 1
130 . 1 . 1 70 70 VAL N N 15 126.577 . . 1 . . . A . 70 VAL N . 52078 1
131 . 1 . 1 71 71 LEU H H 1 8.023 . . 1 . . . A . 71 LEU H . 52078 1
132 . 1 . 1 71 71 LEU N N 15 123.175 . . 1 . . . A . 71 LEU N . 52078 1
133 . 1 . 1 72 72 ARG H H 1 8.537 . . 1 . . . A . 72 ARG H . 52078 1
134 . 1 . 1 72 72 ARG N N 15 123.653 . . 1 . . . A . 72 ARG N . 52078 1
135 . 1 . 1 73 73 LEU H H 1 8.305 . . 1 . . . A . 73 LEU H . 52078 1
136 . 1 . 1 73 73 LEU N N 15 124.753 . . 1 . . . A . 73 LEU N . 52078 1
137 . 1 . 1 74 74 ARG H H 1 8.354 . . 1 . . . A . 74 ARG H . 52078 1
138 . 1 . 1 74 74 ARG N N 15 121.882 . . 1 . . . A . 74 ARG N . 52078 1
139 . 1 . 1 75 75 GLY H H 1 8.404 . . 1 . . . A . 75 GLY H . 52078 1
140 . 1 . 1 75 75 GLY N N 15 110.988 . . 1 . . . A . 75 GLY N . 52078 1
141 . 1 . 1 76 76 GLY H H 1 7.881 . . 1 . . . A . 76 GLY H . 52078 1
142 . 1 . 1 76 76 GLY N N 15 115.153 . . 1 . . . A . 76 GLY N . 52078 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
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 52078
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name assigned_chem_shift_list_2
_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 .
_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' . . . 52078 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
1 $software_1 . . 52078 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 . 2 . 1 2 2 GLN H H 1 8.865 . . 1 . . . B . 2 GLN H . 52078 2
2 . 2 . 1 2 2 GLN N N 15 122.858 . . 1 . . . B . 2 GLN N . 52078 2
3 . 2 . 1 3 3 ILE H H 1 8.224 . . 1 . . . B . 3 ILE H . 52078 2
4 . 2 . 1 3 3 ILE N N 15 115.124 . . 1 . . . B . 3 ILE N . 52078 2
5 . 2 . 1 4 4 PHE H H 1 8.54 . . 1 . . . B . 4 PHE H . 52078 2
6 . 2 . 1 4 4 PHE N N 15 118.689 . . 1 . . . B . 4 PHE N . 52078 2
7 . 2 . 1 5 5 VAL H H 1 9.176 . . 1 . . . B . 5 VAL H . 52078 2
8 . 2 . 1 5 5 VAL N N 15 121.139 . . 1 . . . B . 5 VAL N . 52078 2
9 . 2 . 1 6 6 LYS H H 1 8.878 . . 1 . . . B . 6 LYS H . 52078 2
10 . 2 . 1 6 6 LYS N N 15 128.137 . . 1 . . . B . 6 LYS N . 52078 2
11 . 2 . 1 7 7 THR H H 1 8.651 . . 1 . . . B . 7 THR H . 52078 2
12 . 2 . 1 7 7 THR N N 15 115.627 . . 1 . . . B . 7 THR N . 52078 2
13 . 2 . 1 8 8 LEU H H 1 8.914 . . 1 . . . B . 8 LEU H . 52078 2
14 . 2 . 1 8 8 LEU N N 15 120.543 . . 1 . . . B . 8 LEU N . 52078 2
15 . 2 . 1 9 9 THR H H 1 7.573 . . 1 . . . B . 9 THR H . 52078 2
16 . 2 . 1 9 9 THR N N 15 106.012 . . 1 . . . B . 9 THR N . 52078 2
17 . 2 . 1 10 10 GLY H H 1 7.753 . . 1 . . . B . 10 GLY H . 52078 2
18 . 2 . 1 10 10 GLY N N 15 109.335 . . 1 . . . B . 10 GLY N . 52078 2
19 . 2 . 1 11 11 LYS H H 1 7.173 . . 1 . . . B . 11 LYS H . 52078 2
20 . 2 . 1 11 11 LYS N N 15 121.808 . . 1 . . . B . 11 LYS N . 52078 2
21 . 2 . 1 12 12 THR H H 1 8.555 . . 1 . . . B . 12 THR H . 52078 2
22 . 2 . 1 12 12 THR N N 15 120.21 . . 1 . . . B . 12 THR N . 52078 2
23 . 2 . 1 13 13 ILE H H 1 9.399 . . 1 . . . B . 13 ILE H . 52078 2
24 . 2 . 1 13 13 ILE N N 15 126.843 . . 1 . . . B . 13 ILE N . 52078 2
25 . 2 . 1 14 14 THR H H 1 8.635 . . 1 . . . B . 14 THR H . 52078 2
26 . 2 . 1 14 14 THR N N 15 121.093 . . 1 . . . B . 14 THR N . 52078 2
27 . 2 . 1 15 15 LEU H H 1 8.67 . . 1 . . . B . 15 LEU H . 52078 2
28 . 2 . 1 15 15 LEU N N 15 125.178 . . 1 . . . B . 15 LEU N . 52078 2
29 . 2 . 1 16 16 GLU H H 1 8.041 . . 1 . . . B . 16 GLU H . 52078 2
30 . 2 . 1 16 16 GLU N N 15 122.52 . . 1 . . . B . 16 GLU N . 52078 2
31 . 2 . 1 17 17 VAL H H 1 8.853 . . 1 . . . B . 17 VAL H . 52078 2
32 . 2 . 1 17 17 VAL N N 15 117.597 . . 1 . . . B . 17 VAL N . 52078 2
33 . 2 . 1 18 18 GLU H H 1 8.566 . . 1 . . . B . 18 GLU H . 52078 2
34 . 2 . 1 18 18 GLU N N 15 119.361 . . 1 . . . B . 18 GLU N . 52078 2
35 . 2 . 1 20 20 SER H H 1 6.945 . . 1 . . . B . 20 SER H . 52078 2
36 . 2 . 1 20 20 SER N N 15 103.474 . . 1 . . . B . 20 SER N . 52078 2
37 . 2 . 1 21 21 ASP H H 1 7.967 . . 1 . . . B . 21 ASP H . 52078 2
38 . 2 . 1 21 21 ASP N N 15 124.001 . . 1 . . . B . 21 ASP N . 52078 2
39 . 2 . 1 22 22 THR H H 1 7.803 . . 1 . . . B . 22 THR H . 52078 2
40 . 2 . 1 22 22 THR N N 15 109.104 . . 1 . . . B . 22 THR N . 52078 2
41 . 2 . 1 23 23 ILE H H 1 8.431 . . 1 . . . B . 23 ILE H . 52078 2
42 . 2 . 1 23 23 ILE N N 15 121.231 . . 1 . . . B . 23 ILE N . 52078 2
43 . 2 . 1 25 25 ASN H H 1 7.847 . . 1 . . . B . 25 ASN H . 52078 2
44 . 2 . 1 25 25 ASN N N 15 121.581 . . 1 . . . B . 25 ASN N . 52078 2
45 . 2 . 1 26 26 VAL H H 1 8.021 . . 1 . . . B . 26 VAL H . 52078 2
46 . 2 . 1 26 26 VAL N N 15 122.287 . . 1 . . . B . 26 VAL N . 52078 2
47 . 2 . 1 27 27 LYS H H 1 8.489 . . 1 . . . B . 27 LYS H . 52078 2
48 . 2 . 1 27 27 LYS N N 15 118.984 . . 1 . . . B . 27 LYS N . 52078 2
49 . 2 . 1 28 28 ALA H H 1 7.893 . . 1 . . . B . 28 ALA H . 52078 2
50 . 2 . 1 28 28 ALA N N 15 123.593 . . 1 . . . B . 28 ALA N . 52078 2
51 . 2 . 1 29 29 LYS H H 1 7.752 . . 1 . . . B . 29 LYS H . 52078 2
52 . 2 . 1 29 29 LYS N N 15 120.304 . . 1 . . . B . 29 LYS N . 52078 2
53 . 2 . 1 30 30 ILE H H 1 8.197 . . 1 . . . B . 30 ILE H . 52078 2
54 . 2 . 1 30 30 ILE N N 15 121.357 . . 1 . . . B . 30 ILE N . 52078 2
55 . 2 . 1 31 31 GLN H H 1 8.485 . . 1 . . . B . 31 GLN H . 52078 2
56 . 2 . 1 31 31 GLN N N 15 123.696 . . 1 . . . B . 31 GLN N . 52078 2
57 . 2 . 1 32 32 ASP H H 1 7.876 . . 1 . . . B . 32 ASP H . 52078 2
58 . 2 . 1 32 32 ASP N N 15 119.672 . . 1 . . . B . 32 ASP N . 52078 2
59 . 2 . 1 33 33 LYS H H 1 7.314 . . 1 . . . B . 33 LYS H . 52078 2
60 . 2 . 1 33 33 LYS N N 15 115.515 . . 1 . . . B . 33 LYS N . 52078 2
61 . 2 . 1 34 34 GLU H H 1 8.661 . . 1 . . . B . 34 GLU H . 52078 2
62 . 2 . 1 34 34 GLU N N 15 114.398 . . 1 . . . B . 34 GLU N . 52078 2
63 . 2 . 1 35 35 GLY H H 1 8.434 . . 1 . . . B . 35 GLY H . 52078 2
64 . 2 . 1 35 35 GLY N N 15 108.85 . . 1 . . . B . 35 GLY N . 52078 2
65 . 2 . 1 36 36 ILE H H 1 6.054 . . 1 . . . B . 36 ILE H . 52078 2
66 . 2 . 1 36 36 ILE N N 15 119.843 . . 1 . . . B . 36 ILE N . 52078 2
67 . 2 . 1 39 39 ASP H H 1 8.451 . . 1 . . . B . 39 ASP H . 52078 2
68 . 2 . 1 39 39 ASP N N 15 113.693 . . 1 . . . B . 39 ASP N . 52078 2
69 . 2 . 1 40 40 GLN H H 1 7.739 . . 1 . . . B . 40 GLN H . 52078 2
70 . 2 . 1 40 40 GLN N N 15 117.044 . . 1 . . . B . 40 GLN N . 52078 2
71 . 2 . 1 41 41 GLN H H 1 7.401 . . 1 . . . B . 41 GLN H . 52078 2
72 . 2 . 1 41 41 GLN N N 15 118.178 . . 1 . . . B . 41 GLN N . 52078 2
73 . 2 . 1 42 42 ARG H H 1 8.434 . . 1 . . . B . 42 ARG H . 52078 2
74 . 2 . 1 42 42 ARG N N 15 123 . . 1 . . . B . 42 ARG N . 52078 2
75 . 2 . 1 43 43 LEU H H 1 8.748 . . 1 . . . B . 43 LEU H . 52078 2
76 . 2 . 1 43 43 LEU N N 15 124.503 . . 1 . . . B . 43 LEU N . 52078 2
77 . 2 . 1 44 44 ILE H H 1 9.006 . . 1 . . . B . 44 ILE H . 52078 2
78 . 2 . 1 44 44 ILE N N 15 122.402 . . 1 . . . B . 44 ILE N . 52078 2
79 . 2 . 1 45 45 PHE H H 1 8.768 . . 1 . . . B . 45 PHE H . 52078 2
80 . 2 . 1 45 45 PHE N N 15 125.032 . . 1 . . . B . 45 PHE N . 52078 2
81 . 2 . 1 46 46 ALA H H 1 8.934 . . 1 . . . B . 46 ALA H . 52078 2
82 . 2 . 1 46 46 ALA N N 15 133.105 . . 1 . . . B . 46 ALA N . 52078 2
83 . 2 . 1 47 47 GLY H H 1 8.015 . . 1 . . . B . 47 GLY H . 52078 2
84 . 2 . 1 47 47 GLY N N 15 102.492 . . 1 . . . B . 47 GLY N . 52078 2
85 . 2 . 1 48 48 LYS H H 1 7.894 . . 1 . . . B . 48 LYS H . 52078 2
86 . 2 . 1 48 48 LYS N N 15 122.131 . . 1 . . . B . 48 LYS N . 52078 2
87 . 2 . 1 49 49 GLN H H 1 8.573 . . 1 . . . B . 49 GLN H . 52078 2
88 . 2 . 1 49 49 GLN N N 15 123.227 . . 1 . . . B . 49 GLN N . 52078 2
89 . 2 . 1 50 50 LEU H H 1 8.47 . . 1 . . . B . 50 LEU H . 52078 2
90 . 2 . 1 50 50 LEU N N 15 125.724 . . 1 . . . B . 50 LEU N . 52078 2
91 . 2 . 1 51 51 GLU H H 1 8.305 . . 1 . . . B . 51 GLU H . 52078 2
92 . 2 . 1 51 51 GLU N N 15 123.17 . . 1 . . . B . 51 GLU N . 52078 2
93 . 2 . 1 52 52 ASP H H 1 8.078 . . 1 . . . B . 52 ASP H . 52078 2
94 . 2 . 1 52 52 ASP N N 15 120.447 . . 1 . . . B . 52 ASP N . 52078 2
95 . 2 . 1 54 54 ARG H H 1 7.37 . . 1 . . . B . 54 ARG H . 52078 2
96 . 2 . 1 54 54 ARG N N 15 119.409 . . 1 . . . B . 54 ARG N . 52078 2
97 . 2 . 1 55 55 THR H H 1 8.753 . . 1 . . . B . 55 THR H . 52078 2
98 . 2 . 1 55 55 THR N N 15 108.929 . . 1 . . . B . 55 THR N . 52078 2
99 . 2 . 1 56 56 LEU H H 1 8.065 . . 1 . . . B . 56 LEU H . 52078 2
100 . 2 . 1 56 56 LEU N N 15 118.08 . . 1 . . . B . 56 LEU N . 52078 2
101 . 2 . 1 57 57 SER H H 1 8.403 . . 1 . . . B . 57 SER H . 52078 2
102 . 2 . 1 57 57 SER N N 15 113.599 . . 1 . . . B . 57 SER N . 52078 2
103 . 2 . 1 58 58 ASP H H 1 7.852 . . 1 . . . B . 58 ASP H . 52078 2
104 . 2 . 1 58 58 ASP N N 15 124.622 . . 1 . . . B . 58 ASP N . 52078 2
105 . 2 . 1 59 59 TYR H H 1 7.171 . . 1 . . . B . 59 TYR H . 52078 2
106 . 2 . 1 59 59 TYR N N 15 115.835 . . 1 . . . B . 59 TYR N . 52078 2
107 . 2 . 1 60 60 ASN H H 1 8.069 . . 1 . . . B . 60 ASN H . 52078 2
108 . 2 . 1 60 60 ASN N N 15 116.068 . . 1 . . . B . 60 ASN N . 52078 2
109 . 2 . 1 61 61 ILE H H 1 7.159 . . 1 . . . B . 61 ILE H . 52078 2
110 . 2 . 1 61 61 ILE N N 15 118.978 . . 1 . . . B . 61 ILE N . 52078 2
111 . 2 . 1 62 62 GLN H H 1 7.54 . . 1 . . . B . 62 GLN H . 52078 2
112 . 2 . 1 62 62 GLN N N 15 125.02 . . 1 . . . B . 62 GLN N . 52078 2
113 . 2 . 1 63 63 LYS H H 1 8.423 . . 1 . . . B . 63 LYS H . 52078 2
114 . 2 . 1 63 63 LYS N N 15 120.683 . . 1 . . . B . 63 LYS N . 52078 2
115 . 2 . 1 64 64 GLU H H 1 9.242 . . 1 . . . B . 64 GLU H . 52078 2
116 . 2 . 1 64 64 GLU N N 15 114.649 . . 1 . . . B . 64 GLU N . 52078 2
117 . 2 . 1 65 65 SER H H 1 7.574 . . 1 . . . B . 65 SER H . 52078 2
118 . 2 . 1 65 65 SER N N 15 115.049 . . 1 . . . B . 65 SER N . 52078 2
119 . 2 . 1 66 66 THR H H 1 8.638 . . 1 . . . B . 66 THR H . 52078 2
120 . 2 . 1 66 66 THR N N 15 117.541 . . 1 . . . B . 66 THR N . 52078 2
121 . 2 . 1 67 67 LEU H H 1 9.309 . . 1 . . . B . 67 LEU H . 52078 2
122 . 2 . 1 67 67 LEU N N 15 127.82 . . 1 . . . B . 67 LEU N . 52078 2
123 . 2 . 1 68 68 HIS H H 1 9.147 . . 1 . . . B . 68 HIS H . 52078 2
124 . 2 . 1 68 68 HIS N N 15 119.712 . . 1 . . . B . 68 HIS N . 52078 2
125 . 2 . 1 69 69 LEU H H 1 8.168 . . 1 . . . B . 69 LEU H . 52078 2
126 . 2 . 1 69 69 LEU N N 15 123.848 . . 1 . . . B . 69 LEU N . 52078 2
127 . 2 . 1 70 70 VAL H H 1 9.085 . . 1 . . . B . 70 VAL H . 52078 2
128 . 2 . 1 70 70 VAL N N 15 126.676 . . 1 . . . B . 70 VAL N . 52078 2
129 . 2 . 1 71 71 LEU H H 1 8.041 . . 1 . . . B . 71 LEU H . 52078 2
130 . 2 . 1 71 71 LEU N N 15 123.089 . . 1 . . . B . 71 LEU N . 52078 2
131 . 2 . 1 72 72 ARG H H 1 8.47 . . 1 . . . B . 72 ARG H . 52078 2
132 . 2 . 1 72 72 ARG N N 15 124.306 . . 1 . . . B . 72 ARG N . 52078 2
133 . 2 . 1 73 73 LEU H H 1 8.121 . . 1 . . . B . 73 LEU H . 52078 2
134 . 2 . 1 73 73 LEU N N 15 124.182 . . 1 . . . B . 73 LEU N . 52078 2
135 . 2 . 1 74 74 ARG H H 1 8.415 . . 1 . . . B . 74 ARG H . 52078 2
136 . 2 . 1 74 74 ARG N N 15 122.736 . . 1 . . . B . 74 ARG N . 52078 2
137 . 2 . 1 75 75 GLY H H 1 8.436 . . 1 . . . B . 75 GLY H . 52078 2
138 . 2 . 1 75 75 GLY N N 15 111.27 . . 1 . . . B . 75 GLY N . 52078 2
139 . 2 . 1 76 76 GLY H H 1 8.152 . . 1 . . . B . 76 GLY H . 52078 2
140 . 2 . 1 76 76 GLY N N 15 108.739 . . 1 . . . B . 76 GLY N . 52078 2
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