###################################
# 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 18803
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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' . . . 18803 1
2 'BEST 3D HNCACB' . . . 18803 1
3 '3D HBHA(CO)NH' . . . 18803 1
5 'BEST 3D CBCA(CO)NH' . . . 18803 1
6 'BEST 3D HNCA' . . . 18803 1
7 'BEST 3D HNCO' . . . 18803 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 3 3 PRO CA C 13 64.124 0.054 . 1 . . . . . 199 PRO CA . 18803 1
2 . 1 . 1 3 3 PRO CB C 13 33.086 0.008 . 1 . . . . . 199 PRO CB . 18803 1
3 . 1 . 1 4 4 ALA H H 1 8.455 0.002 . 1 . . . . . 200 ALA H . 18803 1
4 . 1 . 1 4 4 ALA CA C 13 53.572 0.018 . 1 . . . . . 200 ALA CA . 18803 1
5 . 1 . 1 4 4 ALA CB C 13 20.150 0.077 . 1 . . . . . 200 ALA CB . 18803 1
6 . 1 . 1 4 4 ALA N N 15 124.234 0.202 . 1 . . . . . 200 ALA N . 18803 1
7 . 1 . 1 5 5 SER H H 1 8.281 0.001 . 1 . . . . . 201 SER H . 18803 1
8 . 1 . 1 5 5 SER CA C 13 59.178 0.039 . 1 . . . . . 201 SER CA . 18803 1
9 . 1 . 1 5 5 SER CB C 13 64.689 0 . 1 . . . . . 201 SER CB . 18803 1
10 . 1 . 1 5 5 SER N N 15 114.791 0.025 . 1 . . . . . 201 SER N . 18803 1
11 . 1 . 1 7 7 SER CA C 13 59.557 0.029 . 1 . . . . . 203 SER CA . 18803 1
12 . 1 . 1 7 7 SER CB C 13 64.696 0.022 . 1 . . . . . 203 SER CB . 18803 1
13 . 1 . 1 8 8 GLY H H 1 8.459 0.002 . 1 . . . . . 204 GLY H . 18803 1
14 . 1 . 1 8 8 GLY CA C 13 46.347 0.077 . 1 . . . . . 204 GLY CA . 18803 1
15 . 1 . 1 8 8 GLY N N 15 111.013 0.096 . 1 . . . . . 204 GLY N . 18803 1
16 . 1 . 1 9 9 SER H H 1 8.254 0.001 . 1 . . . . . 205 SER H . 18803 1
17 . 1 . 1 9 9 SER CA C 13 59.437 0.038 . 1 . . . . . 205 SER CA . 18803 1
18 . 1 . 1 9 9 SER CB C 13 64.737 0.029 . 1 . . . . . 205 SER CB . 18803 1
19 . 1 . 1 9 9 SER N N 15 115.796 0.027 . 1 . . . . . 205 SER N . 18803 1
20 . 1 . 1 10 10 ARG H H 1 8.482 0.001 . 1 . . . . . 206 ARG H . 18803 1
21 . 1 . 1 10 10 ARG CA C 13 57.173 0.061 . 1 . . . . . 206 ARG CA . 18803 1
22 . 1 . 1 10 10 ARG CB C 13 31.568 0.077 . 1 . . . . . 206 ARG CB . 18803 1
23 . 1 . 1 10 10 ARG N N 15 123.132 0.101 . 1 . . . . . 206 ARG N . 18803 1
24 . 1 . 1 11 11 SER H H 1 8.344 0.004 . 1 . . . . . 207 SER H . 18803 1
25 . 1 . 1 11 11 SER CA C 13 59.495 0.057 . 1 . . . . . 207 SER CA . 18803 1
26 . 1 . 1 11 11 SER CB C 13 64.602 0.019 . 1 . . . . . 207 SER CB . 18803 1
27 . 1 . 1 11 11 SER N N 15 116.858 0.087 . 1 . . . . . 207 SER N . 18803 1
28 . 1 . 1 12 12 GLN H H 1 8.431 0.002 . 1 . . . . . 208 GLN H . 18803 1
29 . 1 . 1 12 12 GLN CA C 13 56.828 0.02 . 1 . . . . . 208 GLN CA . 18803 1
30 . 1 . 1 12 12 GLN CB C 13 30.385 0.042 . 1 . . . . . 208 GLN CB . 18803 1
31 . 1 . 1 12 12 GLN N N 15 122.311 0.095 . 1 . . . . . 208 GLN N . 18803 1
32 . 1 . 1 13 13 SER H H 1 8.350 0.002 . 1 . . . . . 209 SER H . 18803 1
33 . 1 . 1 13 13 SER CA C 13 59.344 0.012 . 1 . . . . . 209 SER CA . 18803 1
34 . 1 . 1 13 13 SER CB C 13 64.675 0.005 . 1 . . . . . 209 SER CB . 18803 1
35 . 1 . 1 13 13 SER N N 15 117.133 0.026 . 1 . . . . . 209 SER N . 18803 1
36 . 1 . 1 14 14 ARG H H 1 8.422 0.002 . 1 . . . . . 210 ARG H . 18803 1
37 . 1 . 1 14 14 ARG CA C 13 56.969 0.037 . 1 . . . . . 210 ARG CA . 18803 1
38 . 1 . 1 14 14 ARG CB C 13 31.895 0.055 . 1 . . . . . 210 ARG CB . 18803 1
39 . 1 . 1 14 14 ARG N N 15 123.171 0.074 . 1 . . . . . 210 ARG N . 18803 1
40 . 1 . 1 15 15 GLY H H 1 8.286 0.002 . 1 . . . . . 211 GLY H . 18803 1
41 . 1 . 1 15 15 GLY CA C 13 45.596 0.086 . 1 . . . . . 211 GLY CA . 18803 1
42 . 1 . 1 15 15 GLY N N 15 109.912 0.115 . 1 . . . . . 211 GLY N . 18803 1
43 . 1 . 1 16 16 PRO CA C 13 64.366 0.061 . 1 . . . . . 212 PRO CA . 18803 1
44 . 1 . 1 16 16 PRO CB C 13 33.072 0.067 . 1 . . . . . 212 PRO CB . 18803 1
45 . 1 . 1 17 17 ASN H H 1 8.566 0.001 . 1 . . . . . 213 ASN H . 18803 1
46 . 1 . 1 17 17 ASN CA C 13 54.233 0.072 . 1 . . . . . 213 ASN CA . 18803 1
47 . 1 . 1 17 17 ASN CB C 13 39.638 0.056 . 1 . . . . . 213 ASN CB . 18803 1
48 . 1 . 1 17 17 ASN N N 15 118.399 0.033 . 1 . . . . . 213 ASN N . 18803 1
49 . 1 . 1 18 18 ASN H H 1 8.314 0.001 . 1 . . . . . 214 ASN H . 18803 1
50 . 1 . 1 18 18 ASN CA C 13 54.337 0.024 . 1 . . . . . 214 ASN CA . 18803 1
51 . 1 . 1 18 18 ASN CB C 13 39.730 0.029 . 1 . . . . . 214 ASN CB . 18803 1
52 . 1 . 1 18 18 ASN N N 15 119.308 0.046 . 1 . . . . . 214 ASN N . 18803 1
53 . 1 . 1 19 19 ARG H H 1 8.230 0.002 . 1 . . . . . 215 ARG H . 18803 1
54 . 1 . 1 19 19 ARG CA C 13 57.207 0.013 . 1 . . . . . 215 ARG CA . 18803 1
55 . 1 . 1 19 19 ARG CB C 13 31.542 0.066 . 1 . . . . . 215 ARG CB . 18803 1
56 . 1 . 1 19 19 ARG N N 15 121.143 0.073 . 1 . . . . . 215 ARG N . 18803 1
57 . 1 . 1 20 20 ALA H H 1 8.266 0.001 . 1 . . . . . 216 ALA H . 18803 1
58 . 1 . 1 20 20 ALA CA C 13 53.584 0.018 . 1 . . . . . 216 ALA CA . 18803 1
59 . 1 . 1 20 20 ALA CB C 13 20.215 0.004 . 1 . . . . . 216 ALA CB . 18803 1
60 . 1 . 1 20 20 ALA N N 15 124.885 0.133 . 1 . . . . . 216 ALA N . 18803 1
61 . 1 . 1 21 21 ARG H H 1 8.319 0.001 . 1 . . . . . 217 ARG H . 18803 1
62 . 1 . 1 21 21 ARG CA C 13 57.055 0.015 . 1 . . . . . 217 ARG CA . 18803 1
63 . 1 . 1 21 21 ARG CB C 13 31.779 0.009 . 1 . . . . . 217 ARG CB . 18803 1
64 . 1 . 1 21 21 ARG N N 15 120.459 0.059 . 1 . . . . . 217 ARG N . 18803 1
65 . 1 . 1 22 22 SER H H 1 8.372 0 . 1 . . . . . 218 SER H . 18803 1
66 . 1 . 1 22 22 SER CA C 13 59.287 0.027 . 1 . . . . . 218 SER CA . 18803 1
67 . 1 . 1 22 22 SER CB C 13 64.739 0 . 1 . . . . . 218 SER CB . 18803 1
68 . 1 . 1 22 22 SER N N 15 117.020 0.026 . 1 . . . . . 218 SER N . 18803 1
69 . 1 . 1 23 23 SER H H 1 8.435 0 . 1 . . . . . 219 SER H . 18803 1
70 . 1 . 1 23 23 SER CA C 13 59.394 0.009 . 1 . . . . . 219 SER CA . 18803 1
71 . 1 . 1 23 23 SER CB C 13 64.734 0 . 1 . . . . . 219 SER CB . 18803 1
72 . 1 . 1 23 23 SER N N 15 117.932 0.006 . 1 . . . . . 219 SER N . 18803 1
73 . 1 . 1 24 24 SER H H 1 8.365 0 . 1 . . . . . 220 SER H . 18803 1
74 . 1 . 1 24 24 SER CA C 13 59.609 0.028 . 1 . . . . . 220 SER CA . 18803 1
75 . 1 . 1 24 24 SER CB C 13 64.680 0.004 . 1 . . . . . 220 SER CB . 18803 1
76 . 1 . 1 24 24 SER N N 15 117.499 0.011 . 1 . . . . . 220 SER N . 18803 1
77 . 1 . 1 25 25 ASN H H 1 8.402 0.002 . 1 . . . . . 221 ASN H . 18803 1
78 . 1 . 1 25 25 ASN CA C 13 54.252 0.033 . 1 . . . . . 221 ASN CA . 18803 1
79 . 1 . 1 25 25 ASN CB C 13 39.692 0.051 . 1 . . . . . 221 ASN CB . 18803 1
80 . 1 . 1 25 25 ASN N N 15 120.541 0.073 . 1 . . . . . 221 ASN N . 18803 1
81 . 1 . 1 26 26 GLN H H 1 8.250 0.001 . 1 . . . . . 222 GLN H . 18803 1
82 . 1 . 1 26 26 GLN CA C 13 56.862 0.004 . 1 . . . . . 222 GLN CA . 18803 1
83 . 1 . 1 26 26 GLN CB C 13 30.363 0.081 . 1 . . . . . 222 GLN CB . 18803 1
84 . 1 . 1 26 26 GLN N N 15 120.343 0.056 . 1 . . . . . 222 GLN N . 18803 1
85 . 1 . 1 27 27 ARG H H 1 8.350 0.001 . 1 . . . . . 223 ARG H . 18803 1
86 . 1 . 1 27 27 ARG CA C 13 56.997 0.026 . 1 . . . . . 223 ARG CA . 18803 1
87 . 1 . 1 27 27 ARG CB C 13 31.689 0.118 . 1 . . . . . 223 ARG CB . 18803 1
88 . 1 . 1 27 27 ARG N N 15 122.252 0.08 . 1 . . . . . 223 ARG N . 18803 1
89 . 1 . 1 28 28 GLN H H 1 8.423 0.001 . 1 . . . . . 224 GLN H . 18803 1
90 . 1 . 1 28 28 GLN CA C 13 54.553 0.009 . 1 . . . . . 224 GLN CA . 18803 1
91 . 1 . 1 28 28 GLN CB C 13 29.784 0 . 1 . . . . . 224 GLN CB . 18803 1
92 . 1 . 1 28 28 GLN N N 15 122.916 0.115 . 1 . . . . . 224 GLN N . 18803 1
93 . 1 . 1 29 29 PRO CA C 13 64.100 0.068 . 1 . . . . . 225 PRO CA . 18803 1
94 . 1 . 1 29 29 PRO CB C 13 33.064 0.099 . 1 . . . . . 225 PRO CB . 18803 1
95 . 1 . 1 30 30 ALA H H 1 8.469 0.001 . 1 . . . . . 226 ALA H . 18803 1
96 . 1 . 1 30 30 ALA CA C 13 53.564 0.014 . 1 . . . . . 226 ALA CA . 18803 1
97 . 1 . 1 30 30 ALA CB C 13 20.160 0.104 . 1 . . . . . 226 ALA CB . 18803 1
98 . 1 . 1 30 30 ALA N N 15 124.479 0.139 . 1 . . . . . 226 ALA N . 18803 1
99 . 1 . 1 31 31 SER H H 1 8.303 0.001 . 1 . . . . . 227 SER H . 18803 1
100 . 1 . 1 31 31 SER CA C 13 59.252 0.01 . 1 . . . . . 227 SER CA . 18803 1
101 . 1 . 1 31 31 SER CB C 13 64.650 0.021 . 1 . . . . . 227 SER CB . 18803 1
102 . 1 . 1 31 31 SER N N 15 114.762 0.032 . 1 . . . . . 227 SER N . 18803 1
103 . 1 . 1 32 32 THR H H 1 8.057 0.001 . 1 . . . . . 228 THR H . 18803 1
104 . 1 . 1 32 32 THR CA C 13 62.838 0.05 . 1 . . . . . 228 THR CA . 18803 1
105 . 1 . 1 32 32 THR CB C 13 70.752 0.006 . 1 . . . . . 228 THR CB . 18803 1
106 . 1 . 1 32 32 THR N N 15 115.225 0.026 . 1 . . . . . 228 THR N . 18803 1
107 . 1 . 1 33 33 TYR H H 1 8.105 0.001 . 1 . . . . . 229 TYR H . 18803 1
108 . 1 . 1 33 33 TYR CA C 13 58.820 0.002 . 1 . . . . . 229 TYR CA . 18803 1
109 . 1 . 1 33 33 TYR CB C 13 39.773 0.011 . 1 . . . . . 229 TYR CB . 18803 1
110 . 1 . 1 33 33 TYR N N 15 122.513 0.094 . 1 . . . . . 229 TYR N . 18803 1
111 . 1 . 1 34 34 LYS H H 1 7.758 0.001 . 1 . . . . . 230 LYS H . 18803 1
112 . 1 . 1 34 34 LYS CA C 13 58.686 0.02 . 1 . . . . . 230 LYS CA . 18803 1
113 . 1 . 1 34 34 LYS CB C 13 34.959 0 . 1 . . . . . 230 LYS CB . 18803 1
114 . 1 . 1 34 34 LYS N N 15 127.858 0.155 . 1 . . . . . 230 LYS N . 18803 1
stop_
save_