###################################
# 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 25046
_Assigned_chem_shift_list.ID 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 $chemical_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
1 '2D 1H-15N HSQC' . . . 25046 1
2 '3D CBCA(CO)NH' . . . 25046 1
3 '3D C(CO)NH' . . . 25046 1
4 '3D HNCO' . . . 25046 1
5 '3D HNCA' . . . 25046 1
6 '3D HN(CO)CA' . . . 25046 1
7 '3D HNCACB' . . . 25046 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 3 3 ARG H H 1 8.414 . . . . . . . 3 ARG H . 25046 1
2 . 1 1 3 3 ARG N N 15 122.66 . . . . . . . 3 ARG N . 25046 1
3 . 1 1 4 4 LEU H H 1 6.542 . . . . . . . 4 LEU H . 25046 1
4 . 1 1 4 4 LEU N N 15 117.813 . . . . . . . 4 LEU N . 25046 1
5 . 1 1 5 5 CYS H H 1 9.038 . . . . . . . 5 CYS H . 25046 1
6 . 1 1 5 5 CYS N N 15 121.254 . . . . . . . 5 CYS N . 25046 1
7 . 1 1 6 6 ARG H H 1 9.195 . . . . . . . 6 ARG H . 25046 1
8 . 1 1 6 6 ARG N N 15 123.273 . . . . . . . 6 ARG N . 25046 1
9 . 1 1 7 7 HIS H H 1 9.059 . . . . . . . 7 HIS H . 25046 1
10 . 1 1 7 7 HIS N N 15 125.858 . . . . . . . 7 HIS N . 25046 1
11 . 1 1 10 10 LYS H H 1 9.436 . . . . . . . 10 LYS H . 25046 1
12 . 1 1 10 10 LYS N N 15 124.869 . . . . . . . 10 LYS N . 25046 1
13 . 1 1 13 13 THR H H 1 9.714 . . . . . . . 13 THR H . 25046 1
14 . 1 1 13 13 THR N N 15 119.04 . . . . . . . 13 THR N . 25046 1
15 . 1 1 14 14 PHE H H 1 9.028 . . . . . . . 14 PHE H . 25046 1
16 . 1 1 14 14 PHE N N 15 128.789 . . . . . . . 14 PHE N . 25046 1
17 . 1 1 15 15 PHE H H 1 8.641 . . . . . . . 15 PHE H . 25046 1
18 . 1 1 15 15 PHE N N 15 126.505 . . . . . . . 15 PHE N . 25046 1
19 . 1 1 16 16 GLN H H 1 8.636 . . . . . . . 16 GLN H . 25046 1
20 . 1 1 16 16 GLN N N 15 127.179 . . . . . . . 16 GLN N . 25046 1
21 . 1 1 18 18 ASN H H 1 7.503 . . . . . . . 18 ASN H . 25046 1
22 . 1 1 18 18 ASN N N 15 118.147 . . . . . . . 18 ASN N . 25046 1
23 . 1 1 19 19 CYS H H 1 9.372 . . . . . . . 19 CYS H . 25046 1
24 . 1 1 19 19 CYS N N 15 117.021 . . . . . . . 19 CYS N . 25046 1
25 . 1 1 20 20 TYR H H 1 9.867 . . . . . . . 20 TYR H . 25046 1
26 . 1 1 20 20 TYR N N 15 121.178 . . . . . . . 20 TYR N . 25046 1
27 . 1 1 21 21 PHE H H 1 8.526 . . . . . . . 21 PHE H . 25046 1
28 . 1 1 21 21 PHE N N 15 125.247 . . . . . . . 21 PHE N . 25046 1
29 . 1 1 22 22 MET H H 1 7.662 . . . . . . . 22 MET H . 25046 1
30 . 1 1 22 22 MET N N 15 127.166 . . . . . . . 22 MET N . 25046 1
31 . 1 1 23 23 SER H H 1 7.66 . . . . . . . 23 SER H . 25046 1
32 . 1 1 23 23 SER N N 15 118.893 . . . . . . . 23 SER N . 25046 1
33 . 1 1 25 25 SER H H 1 7.123 . . . . . . . 25 SER H . 25046 1
34 . 1 1 25 25 SER N N 15 113.436 . . . . . . . 25 SER N . 25046 1
35 . 1 1 26 26 GLN H H 1 8.319 . . . . . . . 26 GLN H . 25046 1
36 . 1 1 26 26 GLN N N 15 116.662 . . . . . . . 26 GLN N . 25046 1
37 . 1 1 31 31 ASP H H 1 8.927 . . . . . . . 31 ASP H . 25046 1
38 . 1 1 31 31 ASP N N 15 118.345 . . . . . . . 31 ASP N . 25046 1
39 . 1 1 32 32 SER H H 1 7.8 . . . . . . . 32 SER H . 25046 1
40 . 1 1 32 32 SER N N 15 123.288 . . . . . . . 32 SER N . 25046 1
41 . 1 1 33 33 VAL H H 1 7.302 . . . . . . . 33 VAL H . 25046 1
42 . 1 1 33 33 VAL N N 15 122.902 . . . . . . . 33 VAL N . 25046 1
43 . 1 1 34 34 THR H H 1 7.438 . . . . . . . 34 THR H . 25046 1
44 . 1 1 34 34 THR N N 15 114.731 . . . . . . . 34 THR N . 25046 1
45 . 1 1 35 35 ALA H H 1 7.72 . . . . . . . 35 ALA H . 25046 1
46 . 1 1 35 35 ALA N N 15 124.562 . . . . . . . 35 ALA N . 25046 1
47 . 1 1 36 36 CYS H H 1 7.645 . . . . . . . 36 CYS H . 25046 1
48 . 1 1 36 36 CYS N N 15 112.524 . . . . . . . 36 CYS N . 25046 1
49 . 1 1 38 38 GLU H H 1 8.196 . . . . . . . 38 GLU H . 25046 1
50 . 1 1 38 38 GLU N N 15 119.465 . . . . . . . 38 GLU N . 25046 1
51 . 1 1 39 39 VAL H H 1 7.066 . . . . . . . 39 VAL H . 25046 1
52 . 1 1 39 39 VAL N N 15 109.769 . . . . . . . 39 VAL N . 25046 1
53 . 1 1 40 40 ARG H H 1 7.871 . . . . . . . 40 ARG H . 25046 1
54 . 1 1 40 40 ARG N N 15 115.656 . . . . . . . 40 ARG N . 25046 1
55 . 1 1 41 41 ALA H H 1 8.069 . . . . . . . 41 ALA H . 25046 1
56 . 1 1 41 41 ALA N N 15 120.291 . . . . . . . 41 ALA N . 25046 1
57 . 1 1 42 42 GLN H H 1 8.037 . . . . . . . 42 GLN H . 25046 1
58 . 1 1 42 42 GLN N N 15 116.856 . . . . . . . 42 GLN N . 25046 1
59 . 1 1 43 43 LEU H H 1 9.07 . . . . . . . 43 LEU H . 25046 1
60 . 1 1 43 43 LEU N N 15 133.098 . . . . . . . 43 LEU N . 25046 1
61 . 1 1 45 45 VAL H H 1 7.044 . . . . . . . 45 VAL H . 25046 1
62 . 1 1 45 45 VAL N N 15 127.82 . . . . . . . 45 VAL N . 25046 1
63 . 1 1 47 47 LYS H H 1 9.097 . . . . . . . 47 LYS H . 25046 1
64 . 1 1 47 47 LYS N N 15 123.146 . . . . . . . 47 LYS N . 25046 1
65 . 1 1 48 48 THR H H 1 7.458 . . . . . . . 48 THR H . 25046 1
66 . 1 1 48 48 THR N N 15 107.032 . . . . . . . 48 THR N . 25046 1
67 . 1 1 49 49 ALA H H 1 9.18 . . . . . . . 49 ALA H . 25046 1
68 . 1 1 49 49 ALA N N 15 125.065 . . . . . . . 49 ALA N . 25046 1
69 . 1 1 50 50 GLU H H 1 8.849 . . . . . . . 50 GLU H . 25046 1
70 . 1 1 50 50 GLU N N 15 117.334 . . . . . . . 50 GLU N . 25046 1
71 . 1 1 51 51 GLU H H 1 8.098 . . . . . . . 51 GLU H . 25046 1
72 . 1 1 51 51 GLU N N 15 123.556 . . . . . . . 51 GLU N . 25046 1
73 . 1 1 52 52 GLN H H 1 7.668 . . . . . . . 52 GLN H . 25046 1
74 . 1 1 52 52 GLN N N 15 121.349 . . . . . . . 52 GLN N . 25046 1
75 . 1 1 53 53 ASN H H 1 8.124 . . . . . . . 53 ASN H . 25046 1
76 . 1 1 53 53 ASN N N 15 116.964 . . . . . . . 53 ASN N . 25046 1
77 . 1 1 54 54 PHE H H 1 7.577 . . . . . . . 54 PHE H . 25046 1
78 . 1 1 54 54 PHE N N 15 120.404 . . . . . . . 54 PHE N . 25046 1
79 . 1 1 55 55 LEU H H 1 7.899 . . . . . . . 55 LEU H . 25046 1
80 . 1 1 55 55 LEU N N 15 120.063 . . . . . . . 55 LEU N . 25046 1
81 . 1 1 56 56 GLN H H 1 8.802 . . . . . . . 56 GLN H . 25046 1
82 . 1 1 56 56 GLN N N 15 122.304 . . . . . . . 56 GLN N . 25046 1
83 . 1 1 57 57 LEU H H 1 7.503 . . . . . . . 57 LEU H . 25046 1
84 . 1 1 57 57 LEU N N 15 119.593 . . . . . . . 57 LEU N . 25046 1
85 . 1 1 58 58 GLN H H 1 7.415 . . . . . . . 58 GLN H . 25046 1
86 . 1 1 58 58 GLN N N 15 116.309 . . . . . . . 58 GLN N . 25046 1
87 . 1 1 59 59 THR H H 1 7.671 . . . . . . . 59 THR H . 25046 1
88 . 1 1 59 59 THR N N 15 111.756 . . . . . . . 59 THR N . 25046 1
89 . 1 1 60 60 SER H H 1 8.094 . . . . . . . 60 SER H . 25046 1
90 . 1 1 60 60 SER N N 15 118.719 . . . . . . . 60 SER N . 25046 1
91 . 1 1 61 61 ARG H H 1 7.921 . . . . . . . 61 ARG H . 25046 1
92 . 1 1 61 61 ARG N N 15 121.494 . . . . . . . 61 ARG N . 25046 1
93 . 1 1 62 62 SER H H 1 7.182 . . . . . . . 62 SER H . 25046 1
94 . 1 1 62 62 SER N N 15 111.486 . . . . . . . 62 SER N . 25046 1
95 . 1 1 63 63 ASN H H 1 7.756 . . . . . . . 63 ASN H . 25046 1
96 . 1 1 63 63 ASN N N 15 118.41 . . . . . . . 63 ASN N . 25046 1
97 . 1 1 64 64 ARG H H 1 7.353 . . . . . . . 64 ARG H . 25046 1
98 . 1 1 64 64 ARG N N 15 116.397 . . . . . . . 64 ARG N . 25046 1
99 . 1 1 65 65 PHE H H 1 8.783 . . . . . . . 65 PHE H . 25046 1
100 . 1 1 65 65 PHE N N 15 125.362 . . . . . . . 65 PHE N . 25046 1
101 . 1 1 67 67 TRP H H 1 9.856 . . . . . . . 67 TRP H . 25046 1
102 . 1 1 67 67 TRP N N 15 124.869 . . . . . . . 67 TRP N . 25046 1
103 . 1 1 69 69 GLY H H 1 9.82 . . . . . . . 69 GLY H . 25046 1
104 . 1 1 69 69 GLY N N 15 112.058 . . . . . . . 69 GLY N . 25046 1
105 . 1 1 70 70 LEU H H 1 8.373 . . . . . . . 70 LEU H . 25046 1
106 . 1 1 70 70 LEU N N 15 127.786 . . . . . . . 70 LEU N . 25046 1
107 . 1 1 72 72 ASP H H 1 7.85 . . . . . . . 72 ASP H . 25046 1
108 . 1 1 72 72 ASP N N 15 123.573 . . . . . . . 72 ASP N . 25046 1
109 . 1 1 74 74 ASN H H 1 7.778 . . . . . . . 74 ASN H . 25046 1
110 . 1 1 74 74 ASN N N 15 115.662 . . . . . . . 74 ASN N . 25046 1
111 . 1 1 76 76 GLU H H 1 8.071 . . . . . . . 76 GLU H . 25046 1
112 . 1 1 76 76 GLU N N 15 127.907 . . . . . . . 76 GLU N . 25046 1
113 . 1 1 78 78 THR H H 1 8.268 . . . . . . . 78 THR H . 25046 1
114 . 1 1 78 78 THR N N 15 121.58 . . . . . . . 78 THR N . 25046 1
115 . 1 1 80 80 GLN H H 1 9.013 . . . . . . . 80 GLN H . 25046 1
116 . 1 1 80 80 GLN N N 15 123.431 . . . . . . . 80 GLN N . 25046 1
117 . 1 1 81 81 TRP H H 1 9.499 . . . . . . . 81 TRP H . 25046 1
118 . 1 1 81 81 TRP N N 15 126.962 . . . . . . . 81 TRP N . 25046 1
119 . 1 1 82 82 VAL H H 1 8.929 . . . . . . . 82 VAL H . 25046 1
120 . 1 1 82 82 VAL N N 15 115.286 . . . . . . . 82 VAL N . 25046 1
121 . 1 1 83 83 ASP H H 1 7.256 . . . . . . . 83 ASP H . 25046 1
122 . 1 1 83 83 ASP N N 15 117.882 . . . . . . . 83 ASP N . 25046 1
123 . 1 1 84 84 GLY H H 1 8.462 . . . . . . . 84 GLY H . 25046 1
124 . 1 1 84 84 GLY N N 15 109.033 . . . . . . . 84 GLY N . 25046 1
125 . 1 1 85 85 SER H H 1 8.245 . . . . . . . 85 SER H . 25046 1
126 . 1 1 85 85 SER N N 15 119.122 . . . . . . . 85 SER N . 25046 1
127 . 1 1 87 87 LEU H H 1 7.852 . . . . . . . 87 LEU H . 25046 1
128 . 1 1 87 87 LEU N N 15 121.448 . . . . . . . 87 LEU N . 25046 1
129 . 1 1 88 88 SER H H 1 8.942 . . . . . . . 88 SER H . 25046 1
130 . 1 1 88 88 SER N N 15 127.337 . . . . . . . 88 SER N . 25046 1
131 . 1 1 91 91 PHE H H 1 8.173 . . . . . . . 91 PHE H . 25046 1
132 . 1 1 91 91 PHE N N 15 120.462 . . . . . . . 91 PHE N . 25046 1
133 . 1 1 92 92 GLN H H 1 7.362 . . . . . . . 92 GLN H . 25046 1
134 . 1 1 92 92 GLN N N 15 117.665 . . . . . . . 92 GLN N . 25046 1
135 . 1 1 93 93 ARG H H 1 6.953 . . . . . . . 93 ARG H . 25046 1
136 . 1 1 93 93 ARG N N 15 113.603 . . . . . . . 93 ARG N . 25046 1
137 . 1 1 94 94 TYR H H 1 6.644 . . . . . . . 94 TYR H . 25046 1
138 . 1 1 94 94 TYR N N 15 118.51 . . . . . . . 94 TYR N . 25046 1
139 . 1 1 95 95 TRP H H 1 6.365 . . . . . . . 95 TRP H . 25046 1
140 . 1 1 95 95 TRP N N 15 117.872 . . . . . . . 95 TRP N . 25046 1
141 . 1 1 96 96 ASN H H 1 9.773 . . . . . . . 96 ASN H . 25046 1
142 . 1 1 96 96 ASN N N 15 122.655 . . . . . . . 96 ASN N . 25046 1
143 . 1 1 97 97 SER H H 1 8.488 . . . . . . . 97 SER H . 25046 1
144 . 1 1 97 97 SER N N 15 114.049 . . . . . . . 97 SER N . 25046 1
145 . 1 1 106 106 GLU H H 1 7.667 . . . . . . . 106 GLU H . 25046 1
146 . 1 1 106 106 GLU N N 15 123.009 . . . . . . . 106 GLU N . 25046 1
147 . 1 1 109 109 ALA H H 1 7.958 . . . . . . . 109 ALA H . 25046 1
148 . 1 1 109 109 ALA N N 15 126.411 . . . . . . . 109 ALA N . 25046 1
149 . 1 1 111 111 PHE H H 1 9.372 . . . . . . . 111 PHE H . 25046 1
150 . 1 1 111 111 PHE N N 15 120.799 . . . . . . . 111 PHE N . 25046 1
151 . 1 1 113 113 GLY H H 1 8.723 . . . . . . . 113 GLY H . 25046 1
152 . 1 1 113 113 GLY N N 15 115.666 . . . . . . . 113 GLY N . 25046 1
153 . 1 1 116 116 TRP H H 1 8.351 . . . . . . . 116 TRP H . 25046 1
154 . 1 1 116 116 TRP N N 15 122.348 . . . . . . . 116 TRP N . 25046 1
155 . 1 1 119 119 ASN H H 1 9.934 . . . . . . . 119 ASN H . 25046 1
156 . 1 1 119 119 ASN N N 15 124.91 . . . . . . . 119 ASN N . 25046 1
157 . 1 1 120 120 ARG H H 1 9.475 . . . . . . . 120 ARG H . 25046 1
158 . 1 1 120 120 ARG N N 15 122.429 . . . . . . . 120 ARG N . 25046 1
159 . 1 1 123 123 VAL H H 1 7.603 . . . . . . . 123 VAL H . 25046 1
160 . 1 1 123 123 VAL N N 15 121.405 . . . . . . . 123 VAL N . 25046 1
161 . 1 1 126 126 TYR H H 1 7.104 . . . . . . . 126 TYR H . 25046 1
162 . 1 1 126 126 TYR N N 15 116.631 . . . . . . . 126 TYR N . 25046 1
163 . 1 1 133 133 ALA H H 1 7.792 . . . . . . . 133 ALA H . 25046 1
164 . 1 1 133 133 ALA N N 15 122.859 . . . . . . . 133 ALA N . 25046 1
165 . 1 1 134 134 ALA H H 1 8.54 . . . . . . . 134 ALA H . 25046 1
166 . 1 1 134 134 ALA N N 15 123.55 . . . . . . . 134 ALA N . 25046 1
167 . 1 1 138 138 ASP H H 1 8.295 . . . . . . . 138 ASP H . 25046 1
168 . 1 1 138 138 ASP N N 15 122.505 . . . . . . . 138 ASP N . 25046 1
stop_
save_