###################################
# 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 17914
_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 'see publication' . . . 17914 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 GLY C C 13 174.10 . . 1 . . . A 14 GLY C . 17914 1
2 . 1 1 2 2 GLY CA C 13 44.79 . . 1 . . . A 14 GLY CA . 17914 1
3 . 1 1 2 2 GLY N N 15 108.80 . . 1 . . . A 14 GLY N . 17914 1
4 . 1 1 3 3 THR C C 13 176.20 . . 1 . . . A 15 THR C . 17914 1
5 . 1 1 3 3 THR CA C 13 60.37 . . 1 . . . A 15 THR CA . 17914 1
6 . 1 1 3 3 THR N N 15 110.50 . . 1 . . . A 15 THR N . 17914 1
7 . 1 1 4 4 THR CA C 13 62.40 . . 1 . . . A 16 THR CA . 17914 1
8 . 1 1 4 4 THR N N 15 110.40 . . 1 . . . A 16 THR N . 17914 1
9 . 1 1 5 5 LEU C C 13 173.40 . . 1 . . . A 17 LEU C . 17914 1
10 . 1 1 5 5 LEU CA C 13 55.36 . . 1 . . . A 17 LEU CA . 17914 1
11 . 1 1 5 5 LEU N N 15 120.60 . . 1 . . . A 17 LEU N . 17914 1
12 . 1 1 6 6 VAL CA C 13 63.00 . . 1 . . . A 18 VAL CA . 17914 1
13 . 1 1 6 6 VAL N N 15 115.80 . . 1 . . . A 18 VAL N . 17914 1
14 . 1 1 7 7 ALA C C 13 172.50 . . 1 . . . A 19 ALA C . 17914 1
15 . 1 1 7 7 ALA CA C 13 52.91 . . 1 . . . A 19 ALA CA . 17914 1
16 . 1 1 7 7 ALA N N 15 124.10 . . 1 . . . A 19 ALA N . 17914 1
17 . 1 1 9 9 SER C C 13 176.90 . . 1 . . . A 21 SER C . 17914 1
18 . 1 1 9 9 SER CA C 13 58.73 . . 1 . . . A 21 SER CA . 17914 1
19 . 1 1 9 9 SER N N 15 113.00 . . 1 . . . A 21 SER N . 17914 1
20 . 1 1 10 10 SER C C 13 175.90 . . 1 . . . A 22 SER C . 17914 1
21 . 1 1 10 10 SER CA C 13 56.04 . . 1 . . . A 22 SER CA . 17914 1
22 . 1 1 10 10 SER N N 15 114.70 . . 1 . . . A 22 SER N . 17914 1
23 . 1 1 11 11 PHE C C 13 174.00 . . 1 . . . A 23 PHE C . 17914 1
24 . 1 1 11 11 PHE CA C 13 55.85 . . 1 . . . A 23 PHE CA . 17914 1
25 . 1 1 11 11 PHE N N 15 117.40 . . 1 . . . A 23 PHE N . 17914 1
26 . 1 1 12 12 THR C C 13 175.80 . . 1 . . . A 24 THR C . 17914 1
27 . 1 1 12 12 THR CA C 13 64.65 . . 1 . . . A 24 THR CA . 17914 1
28 . 1 1 12 12 THR N N 15 115.60 . . 1 . . . A 24 THR N . 17914 1
29 . 1 1 14 14 VAL C C 13 173.90 . . 1 . . . A 26 VAL C . 17914 1
30 . 1 1 14 14 VAL CA C 13 63.19 . . 1 . . . A 26 VAL CA . 17914 1
31 . 1 1 14 14 VAL N N 15 113.30 . . 1 . . . A 26 VAL N . 17914 1
32 . 1 1 15 15 LEU C C 13 174.40 . . 1 . . . A 27 LEU C . 17914 1
33 . 1 1 15 15 LEU CA C 13 55.68 . . 1 . . . A 27 LEU CA . 17914 1
34 . 1 1 15 15 LEU N N 15 118.90 . . 1 . . . A 27 LEU N . 17914 1
35 . 1 1 16 16 VAL C C 13 177.10 . . 1 . . . A 28 VAL C . 17914 1
36 . 1 1 16 16 VAL CA C 13 64.90 . . 1 . . . A 28 VAL CA . 17914 1
37 . 1 1 16 16 VAL N N 15 114.20 . . 1 . . . A 28 VAL N . 17914 1
38 . 1 1 17 17 ILE C C 13 173.90 . . 1 . . . A 29 ILE C . 17914 1
39 . 1 1 17 17 ILE CA C 13 63.30 . . 1 . . . A 29 ILE CA . 17914 1
40 . 1 1 17 17 ILE N N 15 118.40 . . 1 . . . A 29 ILE N . 17914 1
41 . 1 1 18 18 LEU C C 13 173.70 . . 1 . . . A 30 LEU C . 17914 1
42 . 1 1 18 18 LEU CA C 13 56.75 . . 1 . . . A 30 LEU CA . 17914 1
43 . 1 1 18 18 LEU N N 15 118.80 . . 1 . . . A 30 LEU N . 17914 1
44 . 1 1 19 19 LEU C C 13 173.50 . . 1 . . . A 31 LEU C . 17914 1
45 . 1 1 19 19 LEU CA C 13 54.58 . . 1 . . . A 31 LEU CA . 17914 1
46 . 1 1 19 19 LEU N N 15 118.60 . . 1 . . . A 31 LEU N . 17914 1
47 . 1 1 20 20 GLY C C 13 173.80 . . 1 . . . A 32 GLY C . 17914 1
48 . 1 1 20 20 GLY CA C 13 45.26 . . 1 . . . A 32 GLY CA . 17914 1
49 . 1 1 20 20 GLY N N 15 108.10 . . 1 . . . A 32 GLY N . 17914 1
50 . 1 1 21 21 VAL C C 13 175.40 . . 1 . . . A 33 VAL C . 17914 1
51 . 1 1 21 21 VAL CA C 13 65.00 . . 1 . . . A 33 VAL CA . 17914 1
52 . 1 1 21 21 VAL N N 15 121.10 . . 1 . . . A 33 VAL N . 17914 1
53 . 1 1 22 22 VAL C C 13 174.60 . . 1 . . . A 34 VAL C . 17914 1
54 . 1 1 22 22 VAL CA C 13 65.33 . . 1 . . . A 34 VAL CA . 17914 1
55 . 1 1 22 22 VAL N N 15 121.90 . . 1 . . . A 34 VAL N . 17914 1
56 . 1 1 23 23 GLY C C 13 173.80 . . 1 . . . A 35 GLY C . 17914 1
57 . 1 1 23 23 GLY CA C 13 45.26 . . 1 . . . A 35 GLY CA . 17914 1
58 . 1 1 23 23 GLY N N 15 108.00 . . 1 . . . A 35 GLY N . 17914 1
59 . 1 1 24 24 LEU C C 13 176.00 . . 1 . . . A 36 LEU C . 17914 1
60 . 1 1 24 24 LEU CA C 13 56.00 . . 1 . . . A 36 LEU CA . 17914 1
61 . 1 1 24 24 LEU N N 15 120.30 . . 1 . . . A 36 LEU N . 17914 1
62 . 1 1 25 25 SER C C 13 177.30 . . 1 . . . A 37 SER C . 17914 1
63 . 1 1 25 25 SER CA C 13 59.64 . . 1 . . . A 37 SER CA . 17914 1
64 . 1 1 25 25 SER N N 15 117.30 . . 1 . . . A 37 SER N . 17914 1
65 . 1 1 26 26 ALA C C 13 173.00 . . 1 . . . A 38 ALA C . 17914 1
66 . 1 1 26 26 ALA CA C 13 53.13 . . 1 . . . A 38 ALA CA . 17914 1
67 . 1 1 26 26 ALA N N 15 125.40 . . 1 . . . A 38 ALA N . 17914 1
68 . 1 1 27 27 LEU C C 13 178.10 . . 1 . . . A 39 LEU C . 17914 1
69 . 1 1 27 27 LEU CA C 13 55.30 . . 1 . . . A 39 LEU CA . 17914 1
70 . 1 1 27 27 LEU N N 15 117.40 . . 1 . . . A 39 LEU N . 17914 1
71 . 1 1 28 28 THR C C 13 173.10 . . 1 . . . A 40 THR C . 17914 1
72 . 1 1 28 28 THR CA C 13 59.70 . . 1 . . . A 40 THR CA . 17914 1
73 . 1 1 28 28 THR N N 15 103.80 . . 1 . . . A 40 THR N . 17914 1
74 . 1 1 29 29 GLY C C 13 172.60 . . 1 . . . A 41 GLY C . 17914 1
75 . 1 1 29 29 GLY CA C 13 45.46 . . 1 . . . A 41 GLY CA . 17914 1
76 . 1 1 29 29 GLY N N 15 109.80 . . 1 . . . A 41 GLY N . 17914 1
77 . 1 1 30 30 TYR C C 13 172.80 . . 1 . . . A 42 TYR C . 17914 1
78 . 1 1 30 30 TYR CA C 13 56.60 . . 1 . . . A 42 TYR CA . 17914 1
79 . 1 1 30 30 TYR N N 15 118.70 . . 1 . . . A 42 TYR N . 17914 1
80 . 1 1 31 31 LEU C C 13 173.60 . . 1 . . . A 43 LEU C . 17914 1
81 . 1 1 31 31 LEU CA C 13 55.75 . . 1 . . . A 43 LEU CA . 17914 1
82 . 1 1 31 31 LEU N N 15 120.90 . . 1 . . . A 43 LEU N . 17914 1
83 . 1 1 32 32 ASP C C 13 181.40 . . 1 . . . A 44 ASP C . 17914 1
84 . 1 1 32 32 ASP CA C 13 54.40 . . 1 . . . A 44 ASP CA . 17914 1
85 . 1 1 32 32 ASP N N 15 116.40 . . 1 . . . A 44 ASP N . 17914 1
86 . 1 1 33 33 TYR C C 13 174.10 . . 1 . . . A 45 TYR C . 17914 1
87 . 1 1 33 33 TYR CA C 13 55.80 . . 1 . . . A 45 TYR CA . 17914 1
88 . 1 1 33 33 TYR N N 15 116.90 . . 1 . . . A 45 TYR N . 17914 1
89 . 1 1 34 34 VAL C C 13 175.80 . . 1 . . . A 46 VAL C . 17914 1
90 . 1 1 34 34 VAL CA C 13 60.39 . . 1 . . . A 46 VAL CA . 17914 1
91 . 1 1 34 34 VAL N N 15 114.70 . . 1 . . . A 46 VAL N . 17914 1
92 . 1 1 35 35 LEU C C 13 175.80 . . 1 . . . A 47 LEU C . 17914 1
93 . 1 1 35 35 LEU CA C 13 56.35 . . 1 . . . A 47 LEU CA . 17914 1
94 . 1 1 35 35 LEU N N 15 120.20 . . 1 . . . A 47 LEU N . 17914 1
95 . 1 1 36 36 LEU C C 13 176.70 . . 1 . . . A 48 LEU C . 17914 1
96 . 1 1 36 36 LEU CA C 13 57.16 . . 1 . . . A 48 LEU CA . 17914 1
97 . 1 1 36 36 LEU N N 15 116.30 . . 1 . . . A 48 LEU N . 17914 1
98 . 1 1 38 38 ALA C C 13 181.30 . . 1 . . . A 50 ALA C . 17914 1
99 . 1 1 38 38 ALA CA C 13 54.67 . . 1 . . . A 50 ALA CA . 17914 1
100 . 1 1 38 38 ALA N N 15 116.40 . . 1 . . . A 50 ALA N . 17914 1
101 . 1 1 39 39 LEU C C 13 175.50 . . 1 . . . A 51 LEU C . 17914 1
102 . 1 1 39 39 LEU CA C 13 55.87 . . 1 . . . A 51 LEU CA . 17914 1
103 . 1 1 39 39 LEU N N 15 117.30 . . 1 . . . A 51 LEU N . 17914 1
104 . 1 1 40 40 ALA C C 13 174.30 . . 1 . . . A 52 ALA C . 17914 1
105 . 1 1 40 40 ALA CA C 13 53.86 . . 1 . . . A 52 ALA CA . 17914 1
106 . 1 1 40 40 ALA N N 15 120.30 . . 1 . . . A 52 ALA N . 17914 1
107 . 1 1 41 41 ILE C C 13 175.00 . . 1 . . . A 53 ILE C . 17914 1
108 . 1 1 41 41 ILE CA C 13 64.65 . . 1 . . . A 53 ILE CA . 17914 1
109 . 1 1 41 41 ILE N N 15 117.50 . . 1 . . . A 53 ILE N . 17914 1
110 . 1 1 42 42 PHE C C 13 178.70 . . 1 . . . A 54 PHE C . 17914 1
111 . 1 1 42 42 PHE CA C 13 59.80 . . 1 . . . A 54 PHE CA . 17914 1
112 . 1 1 42 42 PHE N N 15 119.10 . . 1 . . . A 54 PHE N . 17914 1
113 . 1 1 43 43 ILE C C 13 173.30 . . 1 . . . A 55 ILE C . 17914 1
114 . 1 1 43 43 ILE CA C 13 63.46 . . 1 . . . A 55 ILE CA . 17914 1
115 . 1 1 43 43 ILE N N 15 120.90 . . 1 . . . A 55 ILE N . 17914 1
116 . 1 1 44 44 GLY C C 13 172.70 . . 1 . . . A 56 GLY C . 17914 1
117 . 1 1 44 44 GLY CA C 13 45.90 . . 1 . . . A 56 GLY CA . 17914 1
118 . 1 1 44 44 GLY N N 15 109.20 . . 1 . . . A 56 GLY N . 17914 1
119 . 1 1 45 45 LEU C C 13 176.00 . . 1 . . . A 57 LEU C . 17914 1
120 . 1 1 45 45 LEU CA C 13 56.22 . . 1 . . . A 57 LEU CA . 17914 1
121 . 1 1 45 45 LEU N N 15 120.10 . . 1 . . . A 57 LEU N . 17914 1
122 . 1 1 46 46 THR C C 13 175.00 . . 1 . . . A 58 THR C . 17914 1
123 . 1 1 46 46 THR CA C 13 64.61 . . 1 . . . A 58 THR CA . 17914 1
124 . 1 1 46 46 THR N N 15 116.70 . . 1 . . . A 58 THR N . 17914 1
125 . 1 1 47 47 ILE C C 13 175.30 . . 1 . . . A 59 ILE C . 17914 1
126 . 1 1 47 47 ILE CA C 13 65.20 . . 1 . . . A 59 ILE CA . 17914 1
127 . 1 1 47 47 ILE N N 15 120.50 . . 1 . . . A 59 ILE N . 17914 1
128 . 1 1 48 48 TYR C C 13 175.20 . . 1 . . . A 60 TYR C . 17914 1
129 . 1 1 48 48 TYR CA C 13 59.30 . . 1 . . . A 60 TYR CA . 17914 1
130 . 1 1 48 48 TYR N N 15 120.10 . . 1 . . . A 60 TYR N . 17914 1
131 . 1 1 49 49 ALA C C 13 177.50 . . 1 . . . A 61 ALA C . 17914 1
132 . 1 1 49 49 ALA CA C 13 53.22 . . 1 . . . A 61 ALA CA . 17914 1
133 . 1 1 49 49 ALA N N 15 122.50 . . 1 . . . A 61 ALA N . 17914 1
134 . 1 1 50 50 ILE C C 13 173.50 . . 1 . . . A 62 ILE C . 17914 1
135 . 1 1 50 50 ILE CA C 13 64.11 . . 1 . . . A 62 ILE CA . 17914 1
136 . 1 1 50 50 ILE N N 15 118.50 . . 1 . . . A 62 ILE N . 17914 1
137 . 1 1 51 51 GLN C C 13 176.10 . . 1 . . . A 63 GLN C . 17914 1
138 . 1 1 51 51 GLN CA C 13 56.50 . . 1 . . . A 63 GLN CA . 17914 1
139 . 1 1 51 51 GLN N N 15 119.70 . . 1 . . . A 63 GLN N . 17914 1
140 . 1 1 52 52 ARG C C 13 176.20 . . 1 . . . A 64 ARG C . 17914 1
141 . 1 1 52 52 ARG CA C 13 56.84 . . 1 . . . A 64 ARG CA . 17914 1
142 . 1 1 52 52 ARG N N 15 118.90 . . 1 . . . A 64 ARG N . 17914 1
143 . 1 1 53 53 LYS C C 13 176.10 . . 1 . . . A 65 LYS C . 17914 1
144 . 1 1 53 53 LYS CA C 13 56.10 . . 1 . . . A 65 LYS CA . 17914 1
145 . 1 1 53 53 LYS N N 15 120.20 . . 1 . . . A 65 LYS N . 17914 1
146 . 1 1 54 54 ARG C C 13 173.60 . . 1 . . . A 66 ARG C . 17914 1
147 . 1 1 54 54 ARG CA C 13 57.50 . . 1 . . . A 66 ARG CA . 17914 1
148 . 1 1 54 54 ARG N N 15 118.50 . . 1 . . . A 66 ARG N . 17914 1
149 . 1 1 55 55 GLN C C 13 177.50 . . 1 . . . A 67 GLN C . 17914 1
150 . 1 1 55 55 GLN CA C 13 55.60 . . 1 . . . A 67 GLN CA . 17914 1
151 . 1 1 55 55 GLN N N 15 117.90 . . 1 . . . A 67 GLN N . 17914 1
152 . 1 1 56 56 ALA C C 13 51.63 . . 1 . . . A 68 ALA C . 17914 1
153 . 1 1 56 56 ALA CA C 13 123.90 . . 1 . . . A 68 ALA CA . 17914 1
154 . 1 1 57 57 ASP C C 13 53.96 . . 1 . . . A 69 ASP C . 17914 1
155 . 1 1 57 57 ASP CA C 13 118.90 . . 1 . . . A 69 ASP CA . 17914 1
156 . 1 1 57 57 ASP N N 15 105.00 . . 1 . . . A 69 ASP N . 17914 1
157 . 1 1 58 58 ALA C C 13 175.60 . . 1 . . . A 70 ALA C . 17914 1
158 . 1 1 58 58 ALA CA C 13 50.60 . . 1 . . . A 70 ALA CA . 17914 1
159 . 1 1 58 58 ALA N N 15 125.50 . . 1 . . . A 70 ALA N . 17914 1
160 . 1 1 59 59 SER C C 13 175.90 . . 1 . . . A 71 SER C . 17914 1
161 . 1 1 59 59 SER CA C 13 56.17 . . 1 . . . A 71 SER CA . 17914 1
162 . 1 1 59 59 SER N N 15 113.80 . . 1 . . . A 71 SER N . 17914 1
163 . 1 1 60 60 SER C C 13 176.30 . . 1 . . . A 72 SER C . 17914 1
164 . 1 1 60 60 SER CA C 13 50.34 . . 1 . . . A 72 SER CA . 17914 1
165 . 1 1 60 60 SER N N 15 127.90 . . 1 . . . A 72 SER N . 17914 1
stop_
save_