###################################
# 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 50859
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Tim9
_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
1 '2D 1H-15N HSQC' . . . 50859 1
2 '3D HNCO' . . . 50859 1
3 '3D HN(CA)CO' . . . 50859 1
4 '3D HNCA' . . . 50859 1
5 '3D HN(CO)CA' . . . 50859 1
6 '3D HN(COCA)CB' . . . 50859 1
7 '3D HNCACB' . . . 50859 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 . . 50859 1
2 $software_2 . . 50859 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 ALA H H 1 8.386 . . . . . . . . 3 A HN . 50859 1
2 . 1 . 1 3 3 ALA C C 13 177.724 . . . . . . . . 3 A C . 50859 1
3 . 1 . 1 3 3 ALA CA C 13 52.237 . . . . . . . . 3 A CA . 50859 1
4 . 1 . 1 3 3 ALA CB C 13 18.355 . . . . . . . . 3 A CB . 50859 1
5 . 1 . 1 3 3 ALA N N 15 124.280 . . . . . . . . 3 A N . 50859 1
6 . 1 . 1 4 4 LEU H H 1 8.212 . . . . . . . . 4 L HN . 50859 1
7 . 1 . 1 4 4 LEU C C 13 177.397 . . . . . . . . 4 L C . 50859 1
8 . 1 . 1 4 4 LEU CA C 13 54.987 . . . . . . . . 4 L CA . 50859 1
9 . 1 . 1 4 4 LEU CB C 13 41.214 . . . . . . . . 4 L CB . 50859 1
10 . 1 . 1 4 4 LEU N N 15 120.472 . . . . . . . . 4 L N . 50859 1
11 . 1 . 1 5 5 ASN H H 1 8.360 . . . . . . . . 5 N HN . 50859 1
12 . 1 . 1 5 5 ASN C C 13 175.384 . . . . . . . . 5 N C . 50859 1
13 . 1 . 1 5 5 ASN CA C 13 52.850 . . . . . . . . 5 N CA . 50859 1
14 . 1 . 1 5 5 ASN N N 15 118.826 . . . . . . . . 5 N N . 50859 1
15 . 1 . 1 6 6 SER H H 1 8.225 . . . . . . . . 6 S HN . 50859 1
16 . 1 . 1 6 6 SER C C 13 175.231 . . . . . . . . 6 S C . 50859 1
17 . 1 . 1 6 6 SER CA C 13 58.692 . . . . . . . . 6 S CA . 50859 1
18 . 1 . 1 6 6 SER CB C 13 63.073 . . . . . . . . 6 S CB . 50859 1
19 . 1 . 1 6 6 SER N N 15 115.784 . . . . . . . . 6 S N . 50859 1
20 . 1 . 1 7 7 LYS H H 1 8.326 . . . . . . . . 7 K HN . 50859 1
21 . 1 . 1 7 7 LYS C C 13 177.494 . . . . . . . . 7 K C . 50859 1
22 . 1 . 1 7 7 LYS CA C 13 57.098 . . . . . . . . 7 K CA . 50859 1
23 . 1 . 1 7 7 LYS CB C 13 31.604 . . . . . . . . 7 K CB . 50859 1
24 . 1 . 1 7 7 LYS N N 15 122.859 . . . . . . . . 7 K N . 50859 1
25 . 1 . 1 8 8 GLU H H 1 8.356 . . . . . . . . 8 E HN . 50859 1
26 . 1 . 1 8 8 GLU C C 13 177.546 . . . . . . . . 8 E C . 50859 1
27 . 1 . 1 8 8 GLU CA C 13 57.327 . . . . . . . . 8 E CA . 50859 1
28 . 1 . 1 8 8 GLU CB C 13 28.976 . . . . . . . . 8 E CB . 50859 1
29 . 1 . 1 8 8 GLU N N 15 120.062 . . . . . . . . 8 E N . 50859 1
30 . 1 . 1 9 9 GLN H H 1 8.231 . . . . . . . . 9 Q HN . 50859 1
31 . 1 . 1 9 9 GLN C C 13 177.528 . . . . . . . . 9 Q C . 50859 1
32 . 1 . 1 9 9 GLN N N 15 120.100 . . . . . . . . 9 Q N . 50859 1
33 . 1 . 1 10 10 GLN H H 1 8.225 . . . . . . . . 10 Q HN . 50859 1
34 . 1 . 1 10 10 GLN C C 13 177.132 . . . . . . . . 10 Q C . 50859 1
35 . 1 . 1 10 10 GLN CA C 13 56.733 . . . . . . . . 10 Q CA . 50859 1
36 . 1 . 1 10 10 GLN CB C 13 28.455 . . . . . . . . 10 Q CB . 50859 1
37 . 1 . 1 10 10 GLN N N 15 120.027 . . . . . . . . 10 Q N . 50859 1
38 . 1 . 1 11 11 GLU H H 1 8.302 . . . . . . . . 11 E HN . 50859 1
39 . 1 . 1 11 11 GLU C C 13 177.359 . . . . . . . . 11 E C . 50859 1
40 . 1 . 1 11 11 GLU N N 15 120.615 . . . . . . . . 11 E N . 50859 1
41 . 1 . 1 12 12 PHE H H 1 8.150 . . . . . . . . 12 F HN . 50859 1
42 . 1 . 1 12 12 PHE C C 13 176.433 . . . . . . . . 12 F C . 50859 1
43 . 1 . 1 12 12 PHE CA C 13 58.545 . . . . . . . . 12 F CA . 50859 1
44 . 1 . 1 12 12 PHE N N 15 120.218 . . . . . . . . 12 F N . 50859 1
45 . 1 . 1 69 69 ARG H H 1 8.147 . . . . . . . . 69 R HN . 50859 1
46 . 1 . 1 69 69 ARG C C 13 176.587 . . . . . . . . 69 R C . 50859 1
47 . 1 . 1 69 69 ARG N N 15 120.554 . . . . . . . . 69 R N . 50859 1
48 . 1 . 1 70 70 VAL H H 1 7.964 . . . . . . . . 70 V HN . 50859 1
49 . 1 . 1 70 70 VAL C C 13 176.740 . . . . . . . . 70 V C . 50859 1
50 . 1 . 1 70 70 VAL CA C 13 62.350 . . . . . . . . 70 V CA . 50859 1
51 . 1 . 1 70 70 VAL CB C 13 31.731 . . . . . . . . 70 V CB . 50859 1
52 . 1 . 1 70 70 VAL N N 15 119.866 . . . . . . . . 70 V N . 50859 1
53 . 1 . 1 71 71 GLY H H 1 8.365 . . . . . . . . 71 G HN . 50859 1
54 . 1 . 1 71 71 GLY C C 13 174.258 . . . . . . . . 71 G C . 50859 1
55 . 1 . 1 71 71 GLY CA C 13 45.006 . . . . . . . . 71 G CA . 50859 1
56 . 1 . 1 71 71 GLY N N 15 111.213 . . . . . . . . 71 G N . 50859 1
57 . 1 . 1 72 72 GLN H H 1 8.107 . . . . . . . . 72 Q HN . 50859 1
58 . 1 . 1 72 72 GLN C C 13 176.088 . . . . . . . . 72 Q C . 50859 1
59 . 1 . 1 72 72 GLN CA C 13 55.845 . . . . . . . . 72 Q CA . 50859 1
60 . 1 . 1 72 72 GLN CB C 13 28.786 . . . . . . . . 72 Q CB . 50859 1
61 . 1 . 1 72 72 GLN N N 15 119.778 . . . . . . . . 72 Q N . 50859 1
62 . 1 . 1 73 73 ARG H H 1 8.250 . . . . . . . . 73 R HN . 50859 1
63 . 1 . 1 73 73 ARG C C 13 176.213 . . . . . . . . 73 R C . 50859 1
64 . 1 . 1 73 73 ARG N N 15 121.078 . . . . . . . . 73 R N . 50859 1
65 . 1 . 1 75 75 GLN H H 1 8.200 . . . . . . . . 75 Q HN . 50859 1
66 . 1 . 1 75 75 GLN C C 13 175.843 . . . . . . . . 75 Q C . 50859 1
67 . 1 . 1 75 75 GLN CA C 13 55.747 . . . . . . . . 75 Q CA . 50859 1
68 . 1 . 1 75 75 GLN N N 15 121.077 . . . . . . . . 75 Q N . 50859 1
69 . 1 . 1 76 76 GLU H H 1 8.351 . . . . . . . . 76 E HN . 50859 1
70 . 1 . 1 76 76 GLU C C 13 176.791 . . . . . . . . 76 E C . 50859 1
71 . 1 . 1 76 76 GLU CA C 13 56.482 . . . . . . . . 76 E CA . 50859 1
72 . 1 . 1 76 76 GLU CB C 13 29.143 . . . . . . . . 76 E CB . 50859 1
73 . 1 . 1 76 76 GLU N N 15 121.714 . . . . . . . . 76 E N . 50859 1
74 . 1 . 1 77 77 GLN H H 1 8.366 . . . . . . . . 77 Q HN . 50859 1
75 . 1 . 1 77 77 GLN C C 13 175.938 . . . . . . . . 77 Q C . 50859 1
76 . 1 . 1 77 77 GLN CA C 13 55.914 . . . . . . . . 77 Q CA . 50859 1
77 . 1 . 1 77 77 GLN CB C 13 28.587 . . . . . . . . 77 Q CB . 50859 1
78 . 1 . 1 77 77 GLN N N 15 120.616 . . . . . . . . 77 Q N . 50859 1
79 . 1 . 1 78 78 ASN H H 1 8.360 . . . . . . . . 78 N HN . 50859 1
80 . 1 . 1 78 78 ASN C C 13 175.256 . . . . . . . . 78 N C . 50859 1
81 . 1 . 1 78 78 ASN CA C 13 53.039 . . . . . . . . 78 N CA . 50859 1
82 . 1 . 1 78 78 ASN CB C 13 38.209 . . . . . . . . 78 N CB . 50859 1
83 . 1 . 1 78 78 ASN N N 15 119.237 . . . . . . . . 78 N N . 50859 1
84 . 1 . 1 79 79 ALA H H 1 8.201 . . . . . . . . 79 A HN . 50859 1
85 . 1 . 1 79 79 ALA C C 13 177.696 . . . . . . . . 79 A C . 50859 1
86 . 1 . 1 79 79 ALA CA C 13 52.689 . . . . . . . . 79 A CA . 50859 1
87 . 1 . 1 79 79 ALA CB C 13 18.115 . . . . . . . . 79 A CB . 50859 1
88 . 1 . 1 79 79 ALA N N 15 124.352 . . . . . . . . 79 A N . 50859 1
89 . 1 . 1 80 80 ALA H H 1 8.115 . . . . . . . . 80 A HN . 50859 1
90 . 1 . 1 80 80 ALA C C 13 177.912 . . . . . . . . 80 A C . 50859 1
91 . 1 . 1 80 80 ALA CA C 13 52.302 . . . . . . . . 80 A CA . 50859 1
92 . 1 . 1 80 80 ALA N N 15 121.914 . . . . . . . . 80 A N . 50859 1
93 . 1 . 1 81 81 LEU H H 1 7.949 . . . . . . . . 81 L HN . 50859 1
94 . 1 . 1 81 81 LEU C C 13 177.947 . . . . . . . . 81 L C . 50859 1
95 . 1 . 1 81 81 LEU CA C 13 54.976 . . . . . . . . 81 L CA . 50859 1
96 . 1 . 1 81 81 LEU CB C 13 41.265 . . . . . . . . 81 L CB . 50859 1
97 . 1 . 1 81 81 LEU N N 15 120.063 . . . . . . . . 81 L N . 50859 1
98 . 1 . 1 82 82 GLY H H 1 8.255 . . . . . . . . 82 G HN . 50859 1
99 . 1 . 1 82 82 GLY C C 13 174.297 . . . . . . . . 82 G C . 50859 1
100 . 1 . 1 82 82 GLY CA C 13 45.100 . . . . . . . . 82 G CA . 50859 1
101 . 1 . 1 82 82 GLY N N 15 108.675 . . . . . . . . 82 G N . 50859 1
102 . 1 . 1 83 83 GLN H H 1 8.168 . . . . . . . . 83 Q HN . 50859 1
103 . 1 . 1 83 83 GLN C C 13 176.509 . . . . . . . . 83 Q C . 50859 1
104 . 1 . 1 83 83 GLN CA C 13 55.484 . . . . . . . . 83 Q CA . 50859 1
105 . 1 . 1 83 83 GLN CB C 13 28.638 . . . . . . . . 83 Q CB . 50859 1
106 . 1 . 1 83 83 GLN N N 15 119.365 . . . . . . . . 83 Q N . 50859 1
107 . 1 . 1 84 84 GLY H H 1 8.408 . . . . . . . . 84 G HN . 50859 1
108 . 1 . 1 84 84 GLY C C 13 174.141 . . . . . . . . 84 G C . 50859 1
109 . 1 . 1 84 84 GLY CA C 13 45.03 . . . . . . . . 84 G CA . 50859 1
110 . 1 . 1 84 84 GLY N N 15 109.441 . . . . . . . . 84 G N . 50859 1
111 . 1 . 1 85 85 LEU H H 1 8.097 . . . . . . . . 85 L HN . 50859 1
112 . 1 . 1 85 85 LEU C C 13 177.943 . . . . . . . . 85 L C . 50859 1
113 . 1 . 1 85 85 LEU CA C 13 54.906 . . . . . . . . 85 L CA . 50859 1
114 . 1 . 1 85 85 LEU CB C 13 41.410 . . . . . . . . 85 L CB . 50859 1
115 . 1 . 1 85 85 LEU N N 15 121.054 . . . . . . . . 85 L N . 50859 1
116 . 1 . 1 86 86 GLY H H 1 8.421 . . . . . . . . 86 G HN . 50859 1
117 . 1 . 1 86 86 GLY C C 13 173.239 . . . . . . . . 86 G C . 50859 1
118 . 1 . 1 86 86 GLY CA C 13 45.075 . . . . . . . . 86 G CA . 50859 1
119 . 1 . 1 86 86 GLY N N 15 109.461 . . . . . . . . 86 G N . 50859 1
120 . 1 . 1 87 87 ARG H H 1 7.693 . . . . . . . . 87 R HN . 50859 1
121 . 1 . 1 87 87 ARG C C 13 180.926 . . . . . . . . 87 R C . 50859 1
122 . 1 . 1 87 87 ARG CA C 13 56.755 . . . . . . . . 87 R CA . 50859 1
123 . 1 . 1 87 87 ARG N N 15 125.078 . . . . . . . . 87 R N . 50859 1
stop_
save_