###################################
# 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 17281
_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-1H TOCSY' . . . 17281 1
2 '2D 1H-1H NOESY' . . . 17281 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 $TOPSPIN . . 17281 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 1 1 GLY HA2 H 1 4.082 0.000 . 2 . . . . 1 G HA2 . 17281 1
2 . 1 1 1 1 GLY HA3 H 1 3.979 0.000 . 2 . . . . 1 G HA3 . 17281 1
3 . 1 1 2 2 LEU H H 1 9.112 0.000 . 1 . . . . 2 L H . 17281 1
4 . 1 1 2 2 LEU HA H 1 4.137 0.004 . 1 . . . . 2 L HA . 17281 1
5 . 1 1 2 2 LEU HB2 H 1 1.780 0.001 . 2 . . . . 2 L QB . 17281 1
6 . 1 1 2 2 LEU HB3 H 1 1.780 0.001 . 2 . . . . 2 L QB . 17281 1
7 . 1 1 2 2 LEU HD11 H 1 0.993 0.000 . 2 . . . . 2 L QD1 . 17281 1
8 . 1 1 2 2 LEU HD12 H 1 0.993 0.000 . 2 . . . . 2 L QD1 . 17281 1
9 . 1 1 2 2 LEU HD13 H 1 0.993 0.000 . 2 . . . . 2 L QD1 . 17281 1
10 . 1 1 2 2 LEU HD21 H 1 0.934 0.000 . 2 . . . . 2 L QD2 . 17281 1
11 . 1 1 2 2 LEU HD22 H 1 0.934 0.000 . 2 . . . . 2 L QD2 . 17281 1
12 . 1 1 2 2 LEU HD23 H 1 0.934 0.000 . 2 . . . . 2 L QD2 . 17281 1
13 . 1 1 2 2 LEU HG H 1 1.618 0.002 . 1 . . . . 2 L HG . 17281 1
14 . 1 1 3 3 LYS H H 1 8.819 0.002 . 1 . . . . 3 K H . 17281 1
15 . 1 1 3 3 LYS HA H 1 4.045 0.002 . 1 . . . . 3 K HA . 17281 1
16 . 1 1 3 3 LYS HB2 H 1 1.914 0.000 . 2 . . . . 3 K HB2 . 17281 1
17 . 1 1 3 3 LYS HB3 H 1 1.849 0.000 . 2 . . . . 3 K HB3 . 17281 1
18 . 1 1 3 3 LYS HG2 H 1 1.561 0.000 . 2 . . . . 3 K HG2 . 17281 1
19 . 1 1 3 3 LYS HG3 H 1 1.448 0.000 . 2 . . . . 3 K HG3 . 17281 1
20 . 1 1 4 4 GLU H H 1 8.068 0.001 . 1 . . . . 4 E H . 17281 1
21 . 1 1 4 4 GLU HA H 1 4.107 0.002 . 1 . . . . 4 E HA . 17281 1
22 . 1 1 4 4 GLU HB2 H 1 2.281 0.002 . 2 . . . . 4 E HB2 . 17281 1
23 . 1 1 4 4 GLU HB3 H 1 2.104 0.004 . 2 . . . . 4 E HB3 . 17281 1
24 . 1 1 4 4 GLU HG2 H 1 2.628 0.000 . 2 . . . . 4 E HG2 . 17281 1
25 . 1 1 4 4 GLU HG3 H 1 2.368 0.000 . 2 . . . . 4 E HG3 . 17281 1
26 . 1 1 5 5 ILE H H 1 7.890 0.002 . 1 . . . . 5 I H . 17281 1
27 . 1 1 5 5 ILE HA H 1 3.916 0.003 . 1 . . . . 5 I HA . 17281 1
28 . 1 1 5 5 ILE HB H 1 1.949 0.003 . 1 . . . . 5 I HB . 17281 1
29 . 1 1 5 5 ILE HG12 H 1 1.668 0.000 . 2 . . . . 5 I HG12 . 17281 1
30 . 1 1 5 5 ILE HG13 H 1 1.220 0.000 . 2 . . . . 5 I HG13 . 17281 1
31 . 1 1 5 5 ILE HG21 H 1 0.819 0.002 . 1 . . . . 5 I QG2 . 17281 1
32 . 1 1 5 5 ILE HG22 H 1 0.819 0.002 . 1 . . . . 5 I QG2 . 17281 1
33 . 1 1 5 5 ILE HG23 H 1 0.819 0.002 . 1 . . . . 5 I QG2 . 17281 1
34 . 1 1 6 6 PHE H H 1 8.284 0.002 . 1 . . . . 6 F H . 17281 1
35 . 1 1 6 6 PHE HA H 1 4.398 0.002 . 1 . . . . 6 F HA . 17281 1
36 . 1 1 6 6 PHE HB2 H 1 3.183 0.002 . 2 . . . . 6 F QB . 17281 1
37 . 1 1 6 6 PHE HB3 H 1 3.183 0.002 . 2 . . . . 6 F QB . 17281 1
38 . 1 1 6 6 PHE HD1 H 1 7.275 0.000 . 3 . . . . 6 F QD . 17281 1
39 . 1 1 6 6 PHE HD2 H 1 7.275 0.000 . 3 . . . . 6 F QD . 17281 1
40 . 1 1 7 7 LYS H H 1 8.235 0.002 . 1 . . . . 7 K H . 17281 1
41 . 1 1 7 7 LYS HA H 1 4.010 0.002 . 1 . . . . 7 K HA . 17281 1
42 . 1 1 7 7 LYS HB2 H 1 1.977 0.004 . 2 . . . . 7 K QB . 17281 1
43 . 1 1 7 7 LYS HB3 H 1 1.977 0.004 . 2 . . . . 7 K QB . 17281 1
44 . 1 1 8 8 ALA H H 1 8.042 0.001 . 1 . . . . 8 A H . 17281 1
45 . 1 1 8 8 ALA HA H 1 4.306 0.002 . 1 . . . . 8 A HA . 17281 1
46 . 1 1 8 8 ALA HB1 H 1 1.553 0.000 . 1 . . . . 8 A QB . 17281 1
47 . 1 1 8 8 ALA HB2 H 1 1.553 0.000 . 1 . . . . 8 A QB . 17281 1
48 . 1 1 8 8 ALA HB3 H 1 1.553 0.000 . 1 . . . . 8 A QB . 17281 1
49 . 1 1 9 9 GLY H H 1 8.269 0.003 . 1 . . . . 9 G H . 17281 1
50 . 1 1 9 9 GLY HA2 H 1 4.001 0.000 . 2 . . . . 9 G HA2 . 17281 1
51 . 1 1 9 9 GLY HA3 H 1 3.895 0.007 . 2 . . . . 9 G HA3 . 17281 1
52 . 1 1 10 10 LEU H H 1 8.378 0.002 . 1 . . . . 10 L H . 17281 1
53 . 1 1 10 10 LEU HA H 1 4.146 0.001 . 1 . . . . 10 L HA . 17281 1
54 . 1 1 10 10 LEU HB2 H 1 1.726 0.000 . 2 . . . . 10 L QB . 17281 1
55 . 1 1 10 10 LEU HB3 H 1 1.726 0.000 . 2 . . . . 10 L QB . 17281 1
56 . 1 1 10 10 LEU HD11 H 1 0.888 0.000 . 2 . . . . 10 L QD1 . 17281 1
57 . 1 1 10 10 LEU HD12 H 1 0.888 0.000 . 2 . . . . 10 L QD1 . 17281 1
58 . 1 1 10 10 LEU HD13 H 1 0.888 0.000 . 2 . . . . 10 L QD1 . 17281 1
59 . 1 1 10 10 LEU HD21 H 1 0.852 0.000 . 2 . . . . 10 L QD2 . 17281 1
60 . 1 1 10 10 LEU HD22 H 1 0.852 0.000 . 2 . . . . 10 L QD2 . 17281 1
61 . 1 1 10 10 LEU HD23 H 1 0.852 0.000 . 2 . . . . 10 L QD2 . 17281 1
62 . 1 1 10 10 LEU HG H 1 1.627 0.000 . 1 . . . . 10 L HG . 17281 1
63 . 1 1 11 11 GLY H H 1 8.508 0.001 . 1 . . . . 11 G H . 17281 1
64 . 1 1 11 11 GLY HA2 H 1 4.007 0.004 . 2 . . . . 11 G HA2 . 17281 1
65 . 1 1 11 11 GLY HA3 H 1 3.745 0.003 . 2 . . . . 11 G HA3 . 17281 1
66 . 1 1 12 12 SER H H 1 8.083 0.001 . 1 . . . . 12 S H . 17281 1
67 . 1 1 12 12 SER HA H 1 4.296 0.001 . 1 . . . . 12 S HA . 17281 1
68 . 1 1 12 12 SER HB2 H 1 4.029 0.001 . 2 . . . . 12 S HB2 . 17281 1
69 . 1 1 12 12 SER HB3 H 1 3.993 0.003 . 2 . . . . 12 S HB3 . 17281 1
70 . 1 1 13 13 LEU H H 1 7.967 0.001 . 1 . . . . 13 L H . 17281 1
71 . 1 1 13 13 LEU HA H 1 4.233 0.001 . 1 . . . . 13 L HA . 17281 1
72 . 1 1 13 13 LEU HB2 H 1 1.852 0.004 . 2 . . . . 13 L QB . 17281 1
73 . 1 1 13 13 LEU HB3 H 1 1.852 0.004 . 2 . . . . 13 L QB . 17281 1
74 . 1 1 13 13 LEU HD11 H 1 0.942 0.003 . 2 . . . . 13 L QD1 . 17281 1
75 . 1 1 13 13 LEU HD12 H 1 0.942 0.003 . 2 . . . . 13 L QD1 . 17281 1
76 . 1 1 13 13 LEU HD13 H 1 0.942 0.003 . 2 . . . . 13 L QD1 . 17281 1
77 . 1 1 13 13 LEU HD21 H 1 0.888 0.000 . 2 . . . . 13 L QD2 . 17281 1
78 . 1 1 13 13 LEU HD22 H 1 0.888 0.000 . 2 . . . . 13 L QD2 . 17281 1
79 . 1 1 13 13 LEU HD23 H 1 0.888 0.000 . 2 . . . . 13 L QD2 . 17281 1
80 . 1 1 13 13 LEU HG H 1 1.739 0.002 . 1 . . . . 13 L HG . 17281 1
81 . 1 1 14 14 VAL H H 1 8.167 0.001 . 1 . . . . 14 V H . 17281 1
82 . 1 1 14 14 VAL HA H 1 3.690 0.001 . 1 . . . . 14 V HA . 17281 1
83 . 1 1 14 14 VAL HB H 1 2.248 0.001 . 1 . . . . 14 V HB . 17281 1
84 . 1 1 14 14 VAL HG11 H 1 1.070 0.000 . 2 . . . . 14 V QG1 . 17281 1
85 . 1 1 14 14 VAL HG12 H 1 1.070 0.000 . 2 . . . . 14 V QG1 . 17281 1
86 . 1 1 14 14 VAL HG13 H 1 1.070 0.000 . 2 . . . . 14 V QG1 . 17281 1
87 . 1 1 14 14 VAL HG21 H 1 0.986 0.002 . 2 . . . . 14 V QG2 . 17281 1
88 . 1 1 14 14 VAL HG22 H 1 0.986 0.002 . 2 . . . . 14 V QG2 . 17281 1
89 . 1 1 14 14 VAL HG23 H 1 0.986 0.002 . 2 . . . . 14 V QG2 . 17281 1
90 . 1 1 15 15 LYS H H 1 8.097 0.002 . 1 . . . . 15 K H . 17281 1
91 . 1 1 15 15 LYS HA H 1 4.053 0.000 . 1 . . . . 15 K HA . 17281 1
92 . 1 1 15 15 LYS HB2 H 1 1.954 0.002 . 2 . . . . 15 K QB . 17281 1
93 . 1 1 15 15 LYS HB3 H 1 1.954 0.002 . 2 . . . . 15 K QB . 17281 1
94 . 1 1 15 15 LYS HG2 H 1 1.737 0.000 . 2 . . . . 15 K HG2 . 17281 1
95 . 1 1 15 15 LYS HG3 H 1 1.642 0.001 . 2 . . . . 15 K HG3 . 17281 1
96 . 1 1 16 16 GLY H H 1 8.169 0.001 . 1 . . . . 16 G H . 17281 1
97 . 1 1 16 16 GLY HA2 H 1 4.053 0.000 . 2 . . . . 16 G HA2 . 17281 1
98 . 1 1 16 16 GLY HA3 H 1 3.930 0.005 . 2 . . . . 16 G HA3 . 17281 1
99 . 1 1 17 17 ILE H H 1 8.224 0.001 . 1 . . . . 17 I H . 17281 1
100 . 1 1 17 17 ILE HA H 1 3.911 0.002 . 1 . . . . 17 I HA . 17281 1
101 . 1 1 17 17 ILE HB H 1 1.998 0.002 . 1 . . . . 17 I HB . 17281 1
102 . 1 1 17 17 ILE HD11 H 1 0.857 0.000 . 1 . . . . 17 I QD1 . 17281 1
103 . 1 1 17 17 ILE HD12 H 1 0.857 0.000 . 1 . . . . 17 I QD1 . 17281 1
104 . 1 1 17 17 ILE HD13 H 1 0.857 0.000 . 1 . . . . 17 I QD1 . 17281 1
105 . 1 1 17 17 ILE HG12 H 1 1.867 0.001 . 2 . . . . 17 I QG1 . 17281 1
106 . 1 1 17 17 ILE HG13 H 1 1.867 0.001 . 2 . . . . 17 I QG1 . 17281 1
107 . 1 1 17 17 ILE HG21 H 1 0.955 0.001 . 1 . . . . 17 I QG2 . 17281 1
108 . 1 1 17 17 ILE HG22 H 1 0.955 0.001 . 1 . . . . 17 I QG2 . 17281 1
109 . 1 1 17 17 ILE HG23 H 1 0.955 0.001 . 1 . . . . 17 I QG2 . 17281 1
110 . 1 1 18 18 ALA H H 1 8.397 0.001 . 1 . . . . 18 A H . 17281 1
111 . 1 1 18 18 ALA HA H 1 4.101 0.004 . 1 . . . . 18 A HA . 17281 1
112 . 1 1 18 18 ALA HB1 H 1 1.515 0.003 . 1 . . . . 18 A QB . 17281 1
113 . 1 1 18 18 ALA HB2 H 1 1.515 0.003 . 1 . . . . 18 A QB . 17281 1
114 . 1 1 18 18 ALA HB3 H 1 1.515 0.003 . 1 . . . . 18 A QB . 17281 1
115 . 1 1 19 19 ALA H H 1 8.006 0.001 . 1 . . . . 19 A H . 17281 1
116 . 1 1 19 19 ALA HA H 1 4.228 0.001 . 1 . . . . 19 A HA . 17281 1
117 . 1 1 19 19 ALA HB1 H 1 1.496 0.001 . 1 . . . . 19 A QB . 17281 1
118 . 1 1 19 19 ALA HB2 H 1 1.496 0.001 . 1 . . . . 19 A QB . 17281 1
119 . 1 1 19 19 ALA HB3 H 1 1.496 0.001 . 1 . . . . 19 A QB . 17281 1
120 . 1 1 20 20 HIS H H 1 8.057 0.002 . 1 . . . . 20 H H . 17281 1
121 . 1 1 20 20 HIS HA H 1 4.610 0.002 . 1 . . . . 20 H HA . 17281 1
122 . 1 1 20 20 HIS HB2 H 1 3.491 0.001 . 2 . . . . 20 H HB2 . 17281 1
123 . 1 1 20 20 HIS HB3 H 1 3.300 0.002 . 2 . . . . 20 H HB3 . 17281 1
124 . 1 1 20 20 HIS HD1 H 1 7.421 0.000 . 1 . . . . 20 H HD1 . 17281 1
125 . 1 1 21 21 VAL H H 1 8.102 0.003 . 1 . . . . 21 V H . 17281 1
126 . 1 1 21 21 VAL HA H 1 4.050 0.001 . 1 . . . . 21 V HA . 17281 1
127 . 1 1 21 21 VAL HB H 1 2.225 0.007 . 1 . . . . 21 V HB . 17281 1
128 . 1 1 21 21 VAL HG11 H 1 1.076 0.001 . 2 . . . . 21 V QG1 . 17281 1
129 . 1 1 21 21 VAL HG12 H 1 1.076 0.001 . 2 . . . . 21 V QG1 . 17281 1
130 . 1 1 21 21 VAL HG13 H 1 1.076 0.001 . 2 . . . . 21 V QG1 . 17281 1
131 . 1 1 21 21 VAL HG21 H 1 1.021 0.002 . 2 . . . . 21 V QG2 . 17281 1
132 . 1 1 21 21 VAL HG22 H 1 1.021 0.002 . 2 . . . . 21 V QG2 . 17281 1
133 . 1 1 21 21 VAL HG23 H 1 1.021 0.002 . 2 . . . . 21 V QG2 . 17281 1
134 . 1 1 22 22 ALA H H 1 8.208 0.002 . 1 . . . . 22 A H . 17281 1
135 . 1 1 22 22 ALA HA H 1 4.348 0.001 . 1 . . . . 22 A HA . 17281 1
136 . 1 1 22 22 ALA HB1 H 1 1.490 0.003 . 1 . . . . 22 A QB . 17281 1
137 . 1 1 22 22 ALA HB2 H 1 1.490 0.003 . 1 . . . . 22 A QB . 17281 1
138 . 1 1 22 22 ALA HB3 H 1 1.490 0.003 . 1 . . . . 22 A QB . 17281 1
139 . 1 1 23 23 SER H H 1 7.901 0.002 . 1 . . . . 23 S H . 17281 1
140 . 1 1 23 23 SER HA H 1 4.405 0.000 . 1 . . . . 23 S HA . 17281 1
stop_
save_