###################################
# 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_chemical_shifts
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shifts
_Assigned_chem_shift_list.Entry_ID 5905
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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
1 '1H,15N HSQC' 1 $sample . 5905 1
2 '3D HSQC-TOCSY' 1 $sample . 5905 1
3 '3D HSQC-NOESY' 1 $sample . 5905 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 VAL H H 1 8.655 0.01 . 1 . . . . . . . . 5905 1
2 . 1 1 2 2 VAL N N 15 123.859 0.05 . 1 . . . . . . . . 5905 1
3 . 1 1 3 3 LYS H H 1 8.422 0.01 . 1 . . . . . . . . 5905 1
4 . 1 1 3 3 LYS N N 15 123.882 0.05 . 1 . . . . . . . . 5905 1
5 . 1 1 4 4 VAL H H 1 8.886 0.01 . 1 . . . . . . . . 5905 1
6 . 1 1 4 4 VAL N N 15 121.699 0.05 . 1 . . . . . . . . 5905 1
7 . 1 1 5 5 LYS H H 1 8.499 0.01 . 1 . . . . . . . . 5905 1
8 . 1 1 5 5 LYS N N 15 127.851 0.05 . 1 . . . . . . . . 5905 1
9 . 1 1 6 6 PHE H H 1 8.676 0.01 . 1 . . . . . . . . 5905 1
10 . 1 1 6 6 PHE N N 15 120.254 0.05 . 1 . . . . . . . . 5905 1
11 . 1 1 7 7 LYS H H 1 8.711 0.01 . 1 . . . . . . . . 5905 1
12 . 1 1 7 7 LYS N N 15 119.312 0.05 . 1 . . . . . . . . 5905 1
13 . 1 1 8 8 TYR H H 1 8.991 0.01 . 1 . . . . . . . . 5905 1
14 . 1 1 8 8 TYR N N 15 124.953 0.05 . 1 . . . . . . . . 5905 1
15 . 1 1 9 9 LYS H H 1 9.155 0.01 . 1 . . . . . . . . 5905 1
16 . 1 1 9 9 LYS N N 15 127.966 0.05 . 1 . . . . . . . . 5905 1
17 . 1 1 10 10 GLY H H 1 8.477 0.01 . 1 . . . . . . . . 5905 1
18 . 1 1 10 10 GLY N N 15 103.498 0.05 . 1 . . . . . . . . 5905 1
19 . 1 1 11 11 GLU H H 1 7.876 0.01 . 1 . . . . . . . . 5905 1
20 . 1 1 11 11 GLU N N 15 119.892 0.05 . 1 . . . . . . . . 5905 1
21 . 1 1 11 11 GLU CD C 13 181.886 0.10 . 1 . . . . . . . . 5905 1
22 . 1 1 12 12 GLU H H 1 8.691 0.01 . 1 . . . . . . . . 5905 1
23 . 1 1 12 12 GLU N N 15 123.392 0.05 . 1 . . . . . . . . 5905 1
24 . 1 1 12 12 GLU CD C 13 180.851 0.10 . 1 . . . . . . . . 5905 1
25 . 1 1 13 13 LYS H H 1 8.861 0.01 . 1 . . . . . . . . 5905 1
26 . 1 1 13 13 LYS N N 15 126.636 0.05 . 1 . . . . . . . . 5905 1
27 . 1 1 14 14 GLU H H 1 7.931 0.01 . 1 . . . . . . . . 5905 1
28 . 1 1 14 14 GLU N N 15 116.642 0.05 . 1 . . . . . . . . 5905 1
29 . 1 1 14 14 GLU CD C 13 181.500 0.10 . 1 . . . . . . . . 5905 1
30 . 1 1 15 15 VAL H H 1 8.651 0.01 . 1 . . . . . . . . 5905 1
31 . 1 1 15 15 VAL N N 15 120.988 0.05 . 1 . . . . . . . . 5905 1
32 . 1 1 16 16 ASP H H 1 8.535 0.01 . 1 . . . . . . . . 5905 1
33 . 1 1 16 16 ASP N N 15 126.996 0.05 . 1 . . . . . . . . 5905 1
34 . 1 1 16 16 ASP CG C 13 178.620 0.10 . 1 . . . . . . . . 5905 1
35 . 1 1 17 17 THR H H 1 8.785 0.01 . 1 . . . . . . . . 5905 1
36 . 1 1 17 17 THR N N 15 115.902 0.05 . 1 . . . . . . . . 5905 1
37 . 1 1 18 18 SER H H 1 8.597 0.01 . 1 . . . . . . . . 5905 1
38 . 1 1 18 18 SER N N 15 116.494 0.05 . 1 . . . . . . . . 5905 1
39 . 1 1 19 19 LYS H H 1 7.972 0.01 . 1 . . . . . . . . 5905 1
40 . 1 1 19 19 LYS N N 15 119.198 0.05 . 1 . . . . . . . . 5905 1
41 . 1 1 20 20 ILE H H 1 7.272 0.01 . 1 . . . . . . . . 5905 1
42 . 1 1 20 20 ILE N N 15 120.854 0.05 . 1 . . . . . . . . 5905 1
43 . 1 1 21 21 LYS H H 1 8.852 0.01 . 1 . . . . . . . . 5905 1
44 . 1 1 21 21 LYS N N 15 127.772 0.05 . 1 . . . . . . . . 5905 1
45 . 1 1 22 22 LYS H H 1 7.475 0.01 . 1 . . . . . . . . 5905 1
46 . 1 1 22 22 LYS N N 15 119.901 0.05 . 1 . . . . . . . . 5905 1
47 . 1 1 23 23 VAL H H 1 8.189 0.01 . 1 . . . . . . . . 5905 1
48 . 1 1 23 23 VAL N N 15 119.109 0.05 . 1 . . . . . . . . 5905 1
49 . 1 1 24 24 TRP H H 1 9.280 0.01 . 1 . . . . . . . . 5905 1
50 . 1 1 24 24 TRP N N 15 125.554 0.05 . 1 . . . . . . . . 5905 1
51 . 1 1 24 24 TRP NE1 N 15 129.290 0.05 . 1 . . . . . . . . 5905 1
52 . 1 1 24 24 TRP HE1 H 1 10.064 0.01 . 2 . . . . . . . . 5905 1
53 . 1 1 25 25 ARG H H 1 8.771 0.01 . 1 . . . . . . . . 5905 1
54 . 1 1 25 25 ARG N N 15 120.256 0.05 . 1 . . . . . . . . 5905 1
55 . 1 1 26 26 VAL H H 1 8.516 0.01 . 1 . . . . . . . . 5905 1
56 . 1 1 26 26 VAL N N 15 125.698 0.05 . 1 . . . . . . . . 5905 1
57 . 1 1 27 27 GLY H H 1 9.146 0.01 . 1 . . . . . . . . 5905 1
58 . 1 1 27 27 GLY N N 15 118.416 0.05 . 1 . . . . . . . . 5905 1
59 . 1 1 28 28 LYS H H 1 8.892 0.01 . 1 . . . . . . . . 5905 1
60 . 1 1 28 28 LYS N N 15 126.631 0.05 . 1 . . . . . . . . 5905 1
61 . 1 1 29 29 MET H H 1 8.226 0.01 . 1 . . . . . . . . 5905 1
62 . 1 1 29 29 MET N N 15 117.965 0.05 . 1 . . . . . . . . 5905 1
63 . 1 1 30 30 VAL H H 1 9.304 0.01 . 1 . . . . . . . . 5905 1
64 . 1 1 30 30 VAL N N 15 124.224 0.05 . 1 . . . . . . . . 5905 1
65 . 1 1 31 31 SER H H 1 8.763 0.01 . 1 . . . . . . . . 5905 1
66 . 1 1 31 31 SER N N 15 122.904 0.05 . 1 . . . . . . . . 5905 1
67 . 1 1 32 32 PHE H H 1 7.596 0.01 . 1 . . . . . . . . 5905 1
68 . 1 1 32 32 PHE N N 15 114.820 0.05 . 1 . . . . . . . . 5905 1
69 . 1 1 33 33 THR H H 1 8.925 0.01 . 1 . . . . . . . . 5905 1
70 . 1 1 33 33 THR N N 15 109.040 0.05 . 1 . . . . . . . . 5905 1
71 . 1 1 34 34 TYR H H 1 8.611 0.01 . 1 . . . . . . . . 5905 1
72 . 1 1 34 34 TYR N N 15 116.151 0.05 . 1 . . . . . . . . 5905 1
73 . 1 1 35 35 ASP H H 1 8.576 0.01 . 1 . . . . . . . . 5905 1
74 . 1 1 35 35 ASP N N 15 119.364 0.05 . 1 . . . . . . . . 5905 1
75 . 1 1 35 35 ASP CG C 13 178.773 0.10 . 1 . . . . . . . . 5905 1
76 . 1 1 36 36 ASP H H 1 8.928 0.01 . 1 . . . . . . . . 5905 1
77 . 1 1 36 36 ASP N N 15 126.895 0.05 . 1 . . . . . . . . 5905 1
78 . 1 1 36 36 ASP CG C 13 177.898 0.10 . 1 . . . . . . . . 5905 1
79 . 1 1 37 37 ASN H H 1 8.712 0.01 . 1 . . . . . . . . 5905 1
80 . 1 1 37 37 ASN N N 15 120.612 0.05 . 1 . . . . . . . . 5905 1
81 . 1 1 37 37 ASN CG C 13 178.343 0.10 . 1 . . . . . . . . 5905 1
82 . 1 1 37 37 ASN ND2 N 15 113.034 0.05 . 1 . . . . . . . . 5905 1
83 . 1 1 37 37 ASN HD21 H 1 7.588 0.01 . 2 . . . . . . . . 5905 1
84 . 1 1 37 37 ASN HD22 H 1 6.905 0.01 . 2 . . . . . . . . 5905 1
85 . 1 1 38 38 GLY H H 1 8.761 0.01 . 1 . . . . . . . . 5905 1
86 . 1 1 38 38 GLY N N 15 106.040 0.05 . 1 . . . . . . . . 5905 1
87 . 1 1 39 39 LYS H H 1 7.495 0.01 . 1 . . . . . . . . 5905 1
88 . 1 1 39 39 LYS N N 15 120.128 0.05 . 1 . . . . . . . . 5905 1
89 . 1 1 40 40 THR H H 1 8.608 0.01 . 1 . . . . . . . . 5905 1
90 . 1 1 40 40 THR N N 15 118.345 0.05 . 1 . . . . . . . . 5905 1
91 . 1 1 41 41 GLY H H 1 8.497 0.01 . 1 . . . . . . . . 5905 1
92 . 1 1 41 41 GLY N N 15 115.182 0.05 . 1 . . . . . . . . 5905 1
93 . 1 1 42 42 ARG H H 1 7.722 0.01 . 1 . . . . . . . . 5905 1
94 . 1 1 42 42 ARG N N 15 117.918 0.05 . 1 . . . . . . . . 5905 1
95 . 1 1 43 43 GLY H H 1 7.730 0.01 . 1 . . . . . . . . 5905 1
96 . 1 1 43 43 GLY N N 15 107.238 0.05 . 1 . . . . . . . . 5905 1
97 . 1 1 44 44 ALA H H 1 6.773 0.01 . 1 . . . . . . . . 5905 1
98 . 1 1 44 44 ALA N N 15 117.263 0.05 . 1 . . . . . . . . 5905 1
99 . 1 1 45 45 VAL H H 1 8.999 0.01 . 1 . . . . . . . . 5905 1
100 . 1 1 45 45 VAL N N 15 116.289 0.05 . 1 . . . . . . . . 5905 1
101 . 1 1 46 46 SER H H 1 9.046 0.01 . 1 . . . . . . . . 5905 1
102 . 1 1 46 46 SER N N 15 121.572 0.05 . 1 . . . . . . . . 5905 1
103 . 1 1 47 47 GLU H H 1 8.874 0.01 . 1 . . . . . . . . 5905 1
104 . 1 1 47 47 GLU N N 15 123.878 0.05 . 1 . . . . . . . . 5905 1
105 . 1 1 47 47 GLU CD C 13 180.793 0.10 . 1 . . . . . . . . 5905 1
106 . 1 1 48 48 LYS H H 1 8.101 0.01 . 1 . . . . . . . . 5905 1
107 . 1 1 48 48 LYS N N 15 115.856 0.05 . 1 . . . . . . . . 5905 1
108 . 1 1 49 49 ASP H H 1 7.569 0.01 . 1 . . . . . . . . 5905 1
109 . 1 1 49 49 ASP N N 15 116.517 0.05 . 1 . . . . . . . . 5905 1
110 . 1 1 49 49 ASP CG C 13 179.361 0.10 . 1 . . . . . . . . 5905 1
111 . 1 1 50 50 ALA H H 1 7.474 0.01 . 1 . . . . . . . . 5905 1
112 . 1 1 50 50 ALA N N 15 124.701 0.05 . 1 . . . . . . . . 5905 1
113 . 1 1 52 52 LYS H H 1 8.996 0.01 . 1 . . . . . . . . 5905 1
114 . 1 1 52 52 LYS N N 15 125.440 0.05 . 1 . . . . . . . . 5905 1
115 . 1 1 53 53 GLU H H 1 9.511 0.01 . 1 . . . . . . . . 5905 1
116 . 1 1 53 53 GLU N N 15 116.157 0.05 . 1 . . . . . . . . 5905 1
117 . 1 1 53 53 GLU CD C 13 182.272 0.10 . 1 . . . . . . . . 5905 1
118 . 1 1 54 54 LEU H H 1 7.231 0.01 . 1 . . . . . . . . 5905 1
119 . 1 1 54 54 LEU N N 15 116.870 0.05 . 1 . . . . . . . . 5905 1
120 . 1 1 55 55 LEU H H 1 7.477 0.01 . 1 . . . . . . . . 5905 1
121 . 1 1 55 55 LEU N N 15 118.802 0.05 . 1 . . . . . . . . 5905 1
122 . 1 1 56 56 ASP H H 1 8.866 0.01 . 1 . . . . . . . . 5905 1
123 . 1 1 56 56 ASP N N 15 121.106 0.05 . 1 . . . . . . . . 5905 1
124 . 1 1 56 56 ASP CG C 13 177.859 0.10 . 1 . . . . . . . . 5905 1
125 . 1 1 57 57 MET H H 1 7.592 0.01 . 1 . . . . . . . . 5905 1
126 . 1 1 57 57 MET N N 15 119.768 0.05 . 1 . . . . . . . . 5905 1
127 . 1 1 58 58 LEU H H 1 7.967 0.01 . 1 . . . . . . . . 5905 1
128 . 1 1 58 58 LEU N N 15 121.237 0.05 . 1 . . . . . . . . 5905 1
129 . 1 1 59 59 ALA H H 1 8.062 0.01 . 1 . . . . . . . . 5905 1
130 . 1 1 59 59 ALA N N 15 120.973 0.05 . 1 . . . . . . . . 5905 1
131 . 1 1 60 60 ARG H H 1 7.821 0.01 . 1 . . . . . . . . 5905 1
132 . 1 1 60 60 ARG N N 15 117.143 0.05 . 1 . . . . . . . . 5905 1
133 . 1 1 61 61 ALA H H 1 7.974 0.01 . 1 . . . . . . . . 5905 1
134 . 1 1 61 61 ALA N N 15 122.282 0.05 . 1 . . . . . . . . 5905 1
135 . 1 1 62 62 GLU H H 1 8.221 0.01 . 1 . . . . . . . . 5905 1
136 . 1 1 62 62 GLU N N 15 116.639 0.05 . 1 . . . . . . . . 5905 1
137 . 1 1 62 62 GLU CD C 13 182.564 0.10 . 1 . . . . . . . . 5905 1
138 . 1 1 63 63 ARG H H 1 7.812 0.01 . 1 . . . . . . . . 5905 1
139 . 1 1 63 63 ARG N N 15 119.047 0.05 . 1 . . . . . . . . 5905 1
140 . 1 1 64 64 GLU H H 1 7.893 0.01 . 1 . . . . . . . . 5905 1
141 . 1 1 64 64 GLU N N 15 119.276 0.05 . 1 . . . . . . . . 5905 1
142 . 1 1 64 64 GLU CD C 13 181.733 0.10 . 1 . . . . . . . . 5905 1
143 . 1 1 65 65 LYS H H 1 8.021 0.01 . 1 . . . . . . . . 5905 1
144 . 1 1 65 65 LYS N N 15 121.719 0.05 . 1 . . . . . . . . 5905 1
145 . 1 1 66 66 LYS H H 1 8.001 0.01 . 1 . . . . . . . . 5905 1
146 . 1 1 66 66 LYS N N 15 127.127 0.05 . 1 . . . . . . . . 5905 1
stop_
save_