###################################
# 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 16745
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.3
_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
3 '2D 1H-1H NOESY' . . . 16745 1
7 '2D 1H-13C HSQC' . . . 16745 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
2 $XEASY . . 16745 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 SER HA H 1 4.373 0.02 . 1 . . . . 1 SER HA . 16745 1
2 . 1 1 1 1 SER HB2 H 1 3.974 0.02 . 1 . . . . 1 SER HB2 . 16745 1
3 . 1 1 1 1 SER HB3 H 1 3.974 0.02 . 1 . . . . 1 SER HB3 . 16745 1
4 . 1 1 1 1 SER CA C 13 57.541 0.3 . 1 . . . . 1 SER CA . 16745 1
5 . 1 1 1 1 SER CB C 13 63.923 0.3 . 1 . . . . 1 SER CB . 16745 1
6 . 1 1 2 2 GLY H H 1 9.397 0.02 . 1 . . . . 2 GLY H . 16745 1
7 . 1 1 2 2 GLY HA2 H 1 4.740 0.02 . 1 . . . . 2 GLY HA2 . 16745 1
8 . 1 1 2 2 GLY HA3 H 1 3.577 0.02 . 1 . . . . 2 GLY HA3 . 16745 1
9 . 1 1 2 2 GLY CA C 13 44.925 0.3 . 1 . . . . 2 GLY CA . 16745 1
10 . 1 1 3 3 PRO HA H 1 4.425 0.02 . 1 . . . . 3 PRO HA . 16745 1
11 . 1 1 3 3 PRO HB2 H 1 1.985 0.02 . 1 . . . . 3 PRO HB2 . 16745 1
12 . 1 1 3 3 PRO HB3 H 1 2.430 0.02 . 1 . . . . 3 PRO HB3 . 16745 1
13 . 1 1 3 3 PRO HD2 H 1 3.897 0.02 . 2 . . . . 3 PRO HD2 . 16745 1
14 . 1 1 3 3 PRO HD3 H 1 3.489 0.02 . 2 . . . . 3 PRO HD3 . 16745 1
15 . 1 1 3 3 PRO HG2 H 1 2.160 0.02 . 1 . . . . 3 PRO HG2 . 16745 1
16 . 1 1 3 3 PRO HG3 H 1 2.160 0.02 . 1 . . . . 3 PRO HG3 . 16745 1
17 . 1 1 3 3 PRO CA C 13 64.699 0.3 . 1 . . . . 3 PRO CA . 16745 1
18 . 1 1 3 3 PRO CB C 13 31.803 0.3 . 1 . . . . 3 PRO CB . 16745 1
19 . 1 1 3 3 PRO CD C 13 49.866 0.3 . 1 . . . . 3 PRO CD . 16745 1
20 . 1 1 3 3 PRO CG C 13 27.160 0.3 . 1 . . . . 3 PRO CG . 16745 1
21 . 1 1 4 4 ASN H H 1 8.525 0.02 . 1 . . . . 4 ASN H . 16745 1
22 . 1 1 4 4 ASN HA H 1 5.070 0.02 . 1 . . . . 4 ASN HA . 16745 1
23 . 1 1 4 4 ASN HB2 H 1 2.402 0.02 . 1 . . . . 4 ASN HB2 . 16745 1
24 . 1 1 4 4 ASN HB3 H 1 3.076 0.02 . 1 . . . . 4 ASN HB3 . 16745 1
25 . 1 1 4 4 ASN HD21 H 1 7.568 0.02 . 1 . . . . 4 ASN HD21 . 16745 1
26 . 1 1 4 4 ASN HD22 H 1 6.893 0.02 . 1 . . . . 4 ASN HD22 . 16745 1
27 . 1 1 4 4 ASN CA C 13 51.937 0.3 . 1 . . . . 4 ASN CA . 16745 1
28 . 1 1 4 4 ASN CB C 13 38.996 0.3 . 1 . . . . 4 ASN CB . 16745 1
29 . 1 1 5 5 GLY H H 1 7.773 0.02 . 1 . . . . 5 GLY H . 16745 1
30 . 1 1 5 5 GLY HA2 H 1 3.563 0.02 . 1 . . . . 5 GLY HA2 . 16745 1
31 . 1 1 5 5 GLY HA3 H 1 4.460 0.02 . 1 . . . . 5 GLY HA3 . 16745 1
32 . 1 1 5 5 GLY CA C 13 45.288 0.3 . 1 . . . . 5 GLY CA . 16745 1
33 . 1 1 6 6 GLN H H 1 8.697 0.02 . 1 . . . . 6 GLN H . 16745 1
34 . 1 1 6 6 GLN HA H 1 3.803 0.02 . 1 . . . . 6 GLN HA . 16745 1
35 . 1 1 6 6 GLN HB2 H 1 0.155 0.02 . 1 . . . . 6 GLN HB2 . 16745 1
36 . 1 1 6 6 GLN HB3 H 1 0.652 0.02 . 1 . . . . 6 GLN HB3 . 16745 1
37 . 1 1 6 6 GLN HE21 H 1 7.352 0.02 . 1 . . . . 6 GLN HE21 . 16745 1
38 . 1 1 6 6 GLN HE22 H 1 6.939 0.02 . 1 . . . . 6 GLN HE22 . 16745 1
39 . 1 1 6 6 GLN HG2 H 1 1.645 0.02 . 1 . . . . 6 GLN HG2 . 16745 1
40 . 1 1 6 6 GLN HG3 H 1 1.594 0.02 . 1 . . . . 6 GLN HG3 . 16745 1
41 . 1 1 6 6 GLN CA C 13 56.490 0.3 . 1 . . . . 6 GLN CA . 16745 1
42 . 1 1 6 6 GLN CB C 13 27.592 0.3 . 1 . . . . 6 GLN CB . 16745 1
43 . 1 1 6 6 GLN CG C 13 33.366 0.3 . 1 . . . . 6 GLN CG . 16745 1
44 . 1 1 7 7 CYS H H 1 8.138 0.02 . 1 . . . . 7 CYS H . 16745 1
45 . 1 1 7 7 CYS HA H 1 5.152 0.02 . 1 . . . . 7 CYS HA . 16745 1
46 . 1 1 7 7 CYS HB2 H 1 3.150 0.02 . 1 . . . . 7 CYS HB2 . 16745 1
47 . 1 1 7 7 CYS HB3 H 1 3.150 0.02 . 1 . . . . 7 CYS HB3 . 16745 1
48 . 1 1 7 7 CYS CA C 13 54.232 0.3 . 1 . . . . 7 CYS CA . 16745 1
49 . 1 1 7 7 CYS CB C 13 47.876 0.3 . 1 . . . . 7 CYS CB . 16745 1
50 . 1 1 8 8 GLY H H 1 8.166 0.02 . 1 . . . . 8 GLY H . 16745 1
51 . 1 1 8 8 GLY HA2 H 1 3.883 0.02 . 1 . . . . 8 GLY HA2 . 16745 1
52 . 1 1 8 8 GLY HA3 H 1 4.696 0.02 . 1 . . . . 8 GLY HA3 . 16745 1
53 . 1 1 8 8 GLY CA C 13 43.477 0.3 . 1 . . . . 8 GLY CA . 16745 1
54 . 1 1 9 9 PRO HA H 1 4.267 0.02 . 1 . . . . 9 PRO HA . 16745 1
55 . 1 1 9 9 PRO HB2 H 1 1.920 0.02 . 1 . . . . 9 PRO HB2 . 16745 1
56 . 1 1 9 9 PRO HB3 H 1 2.308 0.02 . 1 . . . . 9 PRO HB3 . 16745 1
57 . 1 1 9 9 PRO HD2 H 1 3.717 0.02 . 1 . . . . 9 PRO HD2 . 16745 1
58 . 1 1 9 9 PRO HD3 H 1 3.717 0.02 . 1 . . . . 9 PRO HD3 . 16745 1
59 . 1 1 9 9 PRO HG2 H 1 2.032 0.02 . 1 . . . . 9 PRO HG2 . 16745 1
60 . 1 1 9 9 PRO HG3 H 1 2.207 0.02 . 1 . . . . 9 PRO HG3 . 16745 1
61 . 1 1 9 9 PRO CA C 13 64.673 0.3 . 1 . . . . 9 PRO CA . 16745 1
62 . 1 1 9 9 PRO CB C 13 31.292 0.3 . 1 . . . . 9 PRO CB . 16745 1
63 . 1 1 9 9 PRO CD C 13 49.381 0.3 . 1 . . . . 9 PRO CD . 16745 1
64 . 1 1 9 9 PRO CG C 13 27.450 0.3 . 1 . . . . 9 PRO CG . 16745 1
65 . 1 1 10 10 GLY H H 1 8.731 0.02 . 1 . . . . 10 GLY H . 16745 1
66 . 1 1 10 10 GLY HA2 H 1 3.877 0.02 . 2 . . . . 10 GLY HA2 . 16745 1
67 . 1 1 10 10 GLY HA3 H 1 3.465 0.02 . 2 . . . . 10 GLY HA3 . 16745 1
68 . 1 1 10 10 GLY CA C 13 45.218 0.3 . 1 . . . . 10 GLY CA . 16745 1
69 . 1 1 11 11 TRP H H 1 7.975 0.02 . 1 . . . . 11 TRP H . 16745 1
70 . 1 1 11 11 TRP HA H 1 4.813 0.02 . 1 . . . . 11 TRP HA . 16745 1
71 . 1 1 11 11 TRP HB2 H 1 2.718 0.02 . 1 . . . . 11 TRP HB2 . 16745 1
72 . 1 1 11 11 TRP HB3 H 1 3.156 0.02 . 1 . . . . 11 TRP HB3 . 16745 1
73 . 1 1 11 11 TRP HD1 H 1 6.725 0.02 . 1 . . . . 11 TRP HD1 . 16745 1
74 . 1 1 11 11 TRP HE1 H 1 10.017 0.02 . 1 . . . . 11 TRP HE1 . 16745 1
75 . 1 1 11 11 TRP HE3 H 1 7.575 0.02 . 1 . . . . 11 TRP HE3 . 16745 1
76 . 1 1 11 11 TRP HH2 H 1 7.254 0.02 . 1 . . . . 11 TRP HH2 . 16745 1
77 . 1 1 11 11 TRP HZ2 H 1 7.499 0.02 . 1 . . . . 11 TRP HZ2 . 16745 1
78 . 1 1 11 11 TRP HZ3 H 1 7.200 0.02 . 1 . . . . 11 TRP HZ3 . 16745 1
79 . 1 1 11 11 TRP CB C 13 32.761 0.3 . 1 . . . . 11 TRP CB . 16745 1
80 . 1 1 11 11 TRP CD1 C 13 127.719 0.3 . 1 . . . . 11 TRP CD1 . 16745 1
81 . 1 1 11 11 TRP CE3 C 13 120.259 0.3 . 1 . . . . 11 TRP CE3 . 16745 1
82 . 1 1 11 11 TRP CH2 C 13 125.493 3 . 1 . . . . 11 TRP CH2 . 16745 1
83 . 1 1 11 11 TRP CZ2 C 13 114.745 0.3 . 1 . . . . 11 TRP CZ2 . 16745 1
84 . 1 1 11 11 TRP CZ3 C 13 122.679 3 . 1 . . . . 11 TRP CZ3 . 16745 1
85 . 1 1 12 12 GLY H H 1 8.260 0.02 . 1 . . . . 12 GLY H . 16745 1
86 . 1 1 12 12 GLY HA2 H 1 3.893 0.02 . 1 . . . . 12 GLY HA2 . 16745 1
87 . 1 1 12 12 GLY HA3 H 1 4.481 0.02 . 1 . . . . 12 GLY HA3 . 16745 1
88 . 1 1 12 12 GLY CA C 13 43.976 0.3 . 1 . . . . 12 GLY CA . 16745 1
89 . 1 1 13 13 GLY H H 1 8.200 0.02 . 1 . . . . 13 GLY H . 16745 1
90 . 1 1 13 13 GLY HA2 H 1 4.481 0.02 . 2 . . . . 13 GLY HA2 . 16745 1
91 . 1 1 13 13 GLY HA3 H 1 3.853 0.02 . 2 . . . . 13 GLY HA3 . 16745 1
92 . 1 1 13 13 GLY CA C 13 43.960 0.3 . 1 . . . . 13 GLY CA . 16745 1
93 . 1 1 14 14 CYS H H 1 8.764 0.02 . 1 . . . . 14 CYS H . 16745 1
94 . 1 1 14 14 CYS HA H 1 4.787 0.02 . 1 . . . . 14 CYS HA . 16745 1
95 . 1 1 14 14 CYS HB2 H 1 2.524 0.02 . 1 . . . . 14 CYS HB2 . 16745 1
96 . 1 1 14 14 CYS HB3 H 1 2.987 0.02 . 1 . . . . 14 CYS HB3 . 16745 1
97 . 1 1 14 14 CYS CA C 13 54.411 3 . 1 . . . . 14 CYS CA . 16745 1
98 . 1 1 14 14 CYS CB C 13 41.302 0.3 . 1 . . . . 14 CYS CB . 16745 1
99 . 1 1 15 15 ARG H H 1 8.730 0.02 . 1 . . . . 15 ARG H . 16745 1
100 . 1 1 15 15 ARG HA H 1 4.464 0.02 . 1 . . . . 15 ARG HA . 16745 1
101 . 1 1 15 15 ARG HB2 H 1 1.876 0.02 . 2 . . . . 15 ARG HB2 . 16745 1
102 . 1 1 15 15 ARG HB3 H 1 1.821 0.02 . 2 . . . . 15 ARG HB3 . 16745 1
103 . 1 1 15 15 ARG HD2 H 1 3.214 0.02 . 1 . . . . 15 ARG HD2 . 16745 1
104 . 1 1 15 15 ARG HD3 H 1 3.214 0.02 . 1 . . . . 15 ARG HD3 . 16745 1
105 . 1 1 15 15 ARG HE H 1 7.201 0.02 . 1 . . . . 15 ARG HE . 16745 1
106 . 1 1 15 15 ARG HG2 H 1 1.683 0.02 . 1 . . . . 15 ARG HG2 . 16745 1
107 . 1 1 15 15 ARG HG3 H 1 1.683 0.02 . 1 . . . . 15 ARG HG3 . 16745 1
108 . 1 1 15 15 ARG CA C 13 55.621 0.3 . 1 . . . . 15 ARG CA . 16745 1
109 . 1 1 15 15 ARG CB C 13 31.119 0.3 . 1 . . . . 15 ARG CB . 16745 1
110 . 1 1 15 15 ARG CD C 13 43.277 0.3 . 1 . . . . 15 ARG CD . 16745 1
111 . 1 1 15 15 ARG CG C 13 26.842 0.3 . 1 . . . . 15 ARG CG . 16745 1
112 . 1 1 16 16 GLY H H 1 8.545 0.02 . 1 . . . . 16 GLY H . 16745 1
113 . 1 1 16 16 GLY HA2 H 1 3.887 0.02 . 2 . . . . 16 GLY HA2 . 16745 1
114 . 1 1 16 16 GLY HA3 H 1 3.815 0.02 . 2 . . . . 16 GLY HA3 . 16745 1
115 . 1 1 16 16 GLY CA C 13 46.852 0.3 . 1 . . . . 16 GLY CA . 16745 1
116 . 1 1 17 17 GLY H H 1 8.683 0.02 . 1 . . . . 17 GLY H . 16745 1
117 . 1 1 17 17 GLY HA2 H 1 4.206 0.02 . 2 . . . . 17 GLY HA2 . 16745 1
118 . 1 1 17 17 GLY HA3 H 1 3.700 0.02 . 2 . . . . 17 GLY HA3 . 16745 1
119 . 1 1 17 17 GLY CA C 13 44.882 0.3 . 1 . . . . 17 GLY CA . 16745 1
120 . 1 1 18 18 LEU H H 1 7.503 0.02 . 1 . . . . 18 LEU H . 16745 1
121 . 1 1 18 18 LEU HA H 1 4.504 0.02 . 1 . . . . 18 LEU HA . 16745 1
122 . 1 1 18 18 LEU HB2 H 1 1.858 0.02 . 1 . . . . 18 LEU HB2 . 16745 1
123 . 1 1 18 18 LEU HB3 H 1 1.374 0.02 . 1 . . . . 18 LEU HB3 . 16745 1
124 . 1 1 18 18 LEU HD11 H 1 0.790 0.02 . 1 . . . . 18 LEU HD1 . 16745 1
125 . 1 1 18 18 LEU HD12 H 1 0.790 0.02 . 1 . . . . 18 LEU HD1 . 16745 1
126 . 1 1 18 18 LEU HD13 H 1 0.790 0.02 . 1 . . . . 18 LEU HD1 . 16745 1
127 . 1 1 18 18 LEU HD21 H 1 0.650 0.02 . 1 . . . . 18 LEU HD2 . 16745 1
128 . 1 1 18 18 LEU HD22 H 1 0.650 0.02 . 1 . . . . 18 LEU HD2 . 16745 1
129 . 1 1 18 18 LEU HD23 H 1 0.650 0.02 . 1 . . . . 18 LEU HD2 . 16745 1
130 . 1 1 18 18 LEU HG H 1 1.559 0.02 . 1 . . . . 18 LEU HG . 16745 1
131 . 1 1 18 18 LEU CA C 13 54.214 0.3 . 1 . . . . 18 LEU CA . 16745 1
132 . 1 1 18 18 LEU CB C 13 42.959 0.3 . 1 . . . . 18 LEU CB . 16745 1
133 . 1 1 18 18 LEU CD1 C 13 25.341 0.3 . 1 . . . . 18 LEU CD1 . 16745 1
134 . 1 1 18 18 LEU CD2 C 13 22.610 0.3 . 1 . . . . 18 LEU CD2 . 16745 1
135 . 1 1 18 18 LEU CG C 13 27.498 0.3 . 1 . . . . 18 LEU CG . 16745 1
136 . 1 1 19 19 CYS H H 1 9.208 0.02 . 1 . . . . 19 CYS H . 16745 1
137 . 1 1 19 19 CYS HA H 1 4.591 0.02 . 1 . . . . 19 CYS HA . 16745 1
138 . 1 1 19 19 CYS HB2 H 1 2.588 0.02 . 1 . . . . 19 CYS HB2 . 16745 1
139 . 1 1 19 19 CYS HB3 H 1 3.833 0.02 . 1 . . . . 19 CYS HB3 . 16745 1
140 . 1 1 19 19 CYS CA C 13 54.112 0.3 . 1 . . . . 19 CYS CA . 16745 1
141 . 1 1 19 19 CYS CB C 13 50.732 0.3 . 1 . . . . 19 CYS CB . 16745 1
142 . 1 1 20 20 CYS H H 1 8.870 0.02 . 1 . . . . 20 CYS H . 16745 1
143 . 1 1 20 20 CYS HA H 1 4.966 0.02 . 1 . . . . 20 CYS HA . 16745 1
144 . 1 1 20 20 CYS HB2 H 1 3.066 0.02 . 1 . . . . 20 CYS HB2 . 16745 1
145 . 1 1 20 20 CYS HB3 H 1 2.994 0.02 . 1 . . . . 20 CYS HB3 . 16745 1
146 . 1 1 20 20 CYS CA C 13 54.837 0.3 . 1 . . . . 20 CYS CA . 16745 1
147 . 1 1 20 20 CYS CB C 13 39.957 0.3 . 1 . . . . 20 CYS CB . 16745 1
148 . 1 1 21 21 SER H H 1 9.459 0.02 . 1 . . . . 21 SER H . 16745 1
149 . 1 1 21 21 SER HA H 1 4.924 0.02 . 1 . . . . 21 SER HA . 16745 1
150 . 1 1 21 21 SER HB2 H 1 4.400 0.02 . 1 . . . . 21 SER HB2 . 16745 1
151 . 1 1 21 21 SER HB3 H 1 4.455 0.02 . 1 . . . . 21 SER HB3 . 16745 1
152 . 1 1 21 21 SER HG H 1 5.970 0.02 . 1 . . . . 21 SER HG . 16745 1
153 . 1 1 21 21 SER CA C 13 57.586 2 . 1 . . . . 21 SER CA . 16745 1
154 . 1 1 21 21 SER CB C 13 66.502 0.3 . 1 . . . . 21 SER CB . 16745 1
155 . 1 1 22 22 GLN H H 1 9.247 0.02 . 1 . . . . 22 GLN H . 16745 1
156 . 1 1 22 22 GLN HA H 1 4.138 0.02 . 1 . . . . 22 GLN HA . 16745 1
157 . 1 1 22 22 GLN HB2 H 1 1.928 0.02 . 2 . . . . 22 GLN HB2 . 16745 1
158 . 1 1 22 22 GLN HB3 H 1 1.790 0.02 . 2 . . . . 22 GLN HB3 . 16745 1
159 . 1 1 22 22 GLN HE21 H 1 7.325 0.02 . 1 . . . . 22 GLN HE21 . 16745 1
160 . 1 1 22 22 GLN HE22 H 1 6.823 0.02 . 1 . . . . 22 GLN HE22 . 16745 1
161 . 1 1 22 22 GLN HG2 H 1 1.928 0.02 . 2 . . . . 22 GLN HG2 . 16745 1
162 . 1 1 22 22 GLN HG3 H 1 1.619 0.02 . 2 . . . . 22 GLN HG3 . 16745 1
163 . 1 1 22 22 GLN CA C 13 57.528 0.3 . 5 . . . . 22 GLN CA . 16745 1
164 . 1 1 22 22 GLN CB C 13 28.104 0.3 . 1 . . . . 22 GLN CB . 16745 1
165 . 1 1 22 22 GLN CG C 13 32.836 0.3 . 1 . . . . 22 GLN CG . 16745 1
166 . 1 1 23 23 TYR H H 1 7.525 0.02 . 1 . . . . 23 TYR H . 16745 1
167 . 1 1 23 23 TYR HA H 1 4.739 0.02 . 1 . . . . 23 TYR HA . 16745 1
168 . 1 1 23 23 TYR HB2 H 1 2.817 0.02 . 1 . . . . 23 TYR HB2 . 16745 1
169 . 1 1 23 23 TYR HB3 H 1 3.545 0.02 . 1 . . . . 23 TYR HB3 . 16745 1
170 . 1 1 23 23 TYR HD1 H 1 7.199 0.02 . 1 . . . . 23 TYR HD1 . 16745 1
171 . 1 1 23 23 TYR HD2 H 1 7.199 0.02 . 1 . . . . 23 TYR HD2 . 16745 1
172 . 1 1 23 23 TYR HE1 H 1 6.866 0.02 . 1 . . . . 23 TYR HE1 . 16745 1
173 . 1 1 23 23 TYR HE2 H 1 6.866 0.02 . 1 . . . . 23 TYR HE2 . 16745 1
174 . 1 1 23 23 TYR CB C 13 38.059 0.3 . 1 . . . . 23 TYR CB . 16745 1
175 . 1 1 23 23 TYR CD1 C 13 132.851 0.3 . 1 . . . . 23 TYR CD1 . 16745 1
176 . 1 1 23 23 TYR CD2 C 13 132.851 0.3 . 1 . . . . 23 TYR CD2 . 16745 1
177 . 1 1 23 23 TYR CE1 C 13 118.314 0.3 . 1 . . . . 23 TYR CE1 . 16745 1
178 . 1 1 23 23 TYR CE2 C 13 118.314 0.3 . 1 . . . . 23 TYR CE2 . 16745 1
179 . 1 1 24 24 GLY H H 1 7.971 0.02 . 1 . . . . 24 GLY H . 16745 1
180 . 1 1 24 24 GLY HA2 H 1 3.703 0.02 . 1 . . . . 24 GLY HA2 . 16745 1
181 . 1 1 24 24 GLY HA3 H 1 4.060 0.02 . 1 . . . . 24 GLY HA3 . 16745 1
182 . 1 1 24 24 GLY CA C 13 46.852 0.3 . 1 . . . . 24 GLY CA . 16745 1
183 . 1 1 25 25 TYR H H 1 7.471 0.02 . 1 . . . . 25 TYR H . 16745 1
184 . 1 1 25 25 TYR HA H 1 5.173 0.02 . 1 . . . . 25 TYR HA . 16745 1
185 . 1 1 25 25 TYR HB2 H 1 2.771 0.02 . 1 . . . . 25 TYR HB2 . 16745 1
186 . 1 1 25 25 TYR HB3 H 1 3.195 0.02 . 1 . . . . 25 TYR HB3 . 16745 1
187 . 1 1 25 25 TYR HD1 H 1 6.951 0.02 . 1 . . . . 25 TYR HD1 . 16745 1
188 . 1 1 25 25 TYR HD2 H 1 6.951 0.02 . 1 . . . . 25 TYR HD2 . 16745 1
189 . 1 1 25 25 TYR HE1 H 1 6.661 0.02 . 1 . . . . 25 TYR HE1 . 16745 1
190 . 1 1 25 25 TYR HE2 H 1 6.661 0.02 . 1 . . . . 25 TYR HE2 . 16745 1
191 . 1 1 25 25 TYR CA C 13 57.577 0.3 . 1 . . . . 25 TYR CA . 16745 1
192 . 1 1 25 25 TYR CB C 13 43.132 0.3 . 1 . . . . 25 TYR CB . 16745 1
193 . 1 1 25 25 TYR CD1 C 13 133.184 0.3 . 1 . . . . 25 TYR CD1 . 16745 1
194 . 1 1 25 25 TYR CD2 C 13 133.184 0.3 . 1 . . . . 25 TYR CD2 . 16745 1
195 . 1 1 25 25 TYR CE1 C 13 117.897 0.3 . 1 . . . . 25 TYR CE1 . 16745 1
196 . 1 1 25 25 TYR CE2 C 13 117.897 0.3 . 1 . . . . 25 TYR CE2 . 16745 1
197 . 1 1 26 26 CYS H H 1 9.010 0.02 . 1 . . . . 26 CYS H . 16745 1
198 . 1 1 26 26 CYS HA H 1 5.527 0.02 . 1 . . . . 26 CYS HA . 16745 1
199 . 1 1 26 26 CYS HB2 H 1 2.886 0.02 . 1 . . . . 26 CYS HB2 . 16745 1
200 . 1 1 26 26 CYS HB3 H 1 2.834 0.02 . 1 . . . . 26 CYS HB3 . 16745 1
201 . 1 1 26 26 CYS CA C 13 54.533 0.3 . 1 . . . . 26 CYS CA . 16745 1
202 . 1 1 26 26 CYS CB C 13 42.023 0.3 . 1 . . . . 26 CYS CB . 16745 1
203 . 1 1 27 27 GLY H H 1 8.926 0.02 . 1 . . . . 27 GLY H . 16745 1
204 . 1 1 27 27 GLY HA2 H 1 3.639 0.02 . 1 . . . . 27 GLY HA2 . 16745 1
205 . 1 1 27 27 GLY HA3 H 1 2.113 0.02 . 1 . . . . 27 GLY HA3 . 16745 1
206 . 1 1 27 27 GLY CA C 13 45.139 0.3 . 1 . . . . 27 GLY CA . 16745 1
207 . 1 1 28 28 SER H H 1 8.050 0.02 . 1 . . . . 28 SER H . 16745 1
208 . 1 1 28 28 SER HA H 1 5.109 0.02 . 1 . . . . 28 SER HA . 16745 1
209 . 1 1 28 28 SER HB2 H 1 3.825 0.02 . 1 . . . . 28 SER HB2 . 16745 1
210 . 1 1 28 28 SER HB3 H 1 3.740 0.02 . 1 . . . . 28 SER HB3 . 16745 1
211 . 1 1 28 28 SER CA C 13 56.701 0.3 . 1 . . . . 28 SER CA . 16745 1
212 . 1 1 28 28 SER CB C 13 65.725 0.3 . 1 . . . . 28 SER CB . 16745 1
213 . 1 1 29 29 GLY H H 1 8.394 0.02 . 1 . . . . 29 GLY H . 16745 1
214 . 1 1 29 29 GLY HA2 H 1 4.021 0.02 . 1 . . . . 29 GLY HA2 . 16745 1
215 . 1 1 29 29 GLY HA3 H 1 4.598 0.02 . 1 . . . . 29 GLY HA3 . 16745 1
216 . 1 1 29 29 GLY CA C 13 44.964 0.3 . 1 . . . . 29 GLY CA . 16745 1
217 . 1 1 30 30 PRO HA H 1 4.381 0.02 . 1 . . . . 30 PRO HA . 16745 1
218 . 1 1 30 30 PRO HB2 H 1 1.985 0.02 . 1 . . . . 30 PRO HB2 . 16745 1
219 . 1 1 30 30 PRO HB3 H 1 2.340 0.02 . 1 . . . . 30 PRO HB3 . 16745 1
220 . 1 1 30 30 PRO HD2 H 1 3.860 0.02 . 2 . . . . 30 PRO HD2 . 16745 1
221 . 1 1 30 30 PRO HD3 H 1 3.670 0.02 . 2 . . . . 30 PRO HD3 . 16745 1
222 . 1 1 30 30 PRO HG2 H 1 2.078 0.02 . 1 . . . . 30 PRO HG2 . 16745 1
223 . 1 1 30 30 PRO HG3 H 1 2.078 0.02 . 1 . . . . 30 PRO HG3 . 16745 1
224 . 1 1 30 30 PRO CA C 13 65.087 0.3 . 1 . . . . 30 PRO CA . 16745 1
225 . 1 1 30 30 PRO CB C 13 31.969 0.3 . 1 . . . . 30 PRO CB . 16745 1
226 . 1 1 30 30 PRO CD C 13 49.757 0.3 . 1 . . . . 30 PRO CD . 16745 1
227 . 1 1 30 30 PRO CG C 13 27.159 0.3 . 1 . . . . 30 PRO CG . 16745 1
228 . 1 1 31 31 LYS H H 1 8.757 0.02 . 1 . . . . 31 LYS H . 16745 1
229 . 1 1 31 31 LYS HA H 1 4.138 0.02 . 1 . . . . 31 LYS HA . 16745 1
230 . 1 1 31 31 LYS HB2 H 1 1.846 0.02 . 1 . . . . 31 LYS HB2 . 16745 1
231 . 1 1 31 31 LYS HB3 H 1 1.655 0.02 . 1 . . . . 31 LYS HB3 . 16745 1
232 . 1 1 31 31 LYS HD2 H 1 1.655 0.02 . 1 . . . . 31 LYS HD2 . 16745 1
233 . 1 1 31 31 LYS HD3 H 1 1.655 0.02 . 1 . . . . 31 LYS HD3 . 16745 1
234 . 1 1 31 31 LYS HE2 H 1 2.957 0.02 . 1 . . . . 31 LYS HE2 . 16745 1
235 . 1 1 31 31 LYS HE3 H 1 2.957 0.02 . 1 . . . . 31 LYS HE3 . 16745 1
236 . 1 1 31 31 LYS HG2 H 1 1.441 0.02 . 2 . . . . 31 LYS HG2 . 16745 1
237 . 1 1 31 31 LYS HG3 H 1 1.224 0.02 . 2 . . . . 31 LYS HG3 . 16745 1
238 . 1 1 31 31 LYS HZ1 H 1 7.528 0.02 . 1 . . . . 31 LYS HZ . 16745 1
239 . 1 1 31 31 LYS HZ2 H 1 7.528 0.02 . 1 . . . . 31 LYS HZ . 16745 1
240 . 1 1 31 31 LYS HZ3 H 1 7.528 0.02 . 1 . . . . 31 LYS HZ . 16745 1
241 . 1 1 31 31 LYS CA C 13 57.934 0.3 . 5 . . . . 31 LYS CA . 16745 1
242 . 1 1 31 31 LYS CB C 13 31.624 0.3 . 1 . . . . 31 LYS CB . 16745 1
243 . 1 1 31 31 LYS CD C 13 28.811 0.3 . 1 . . . . 31 LYS CD . 16745 1
244 . 1 1 31 31 LYS CE C 13 42.023 0.3 . 1 . . . . 31 LYS CE . 16745 1
245 . 1 1 31 31 LYS CG C 13 25.163 0.3 . 1 . . . . 31 LYS CG . 16745 1
246 . 1 1 32 32 TYR H H 1 7.772 0.02 . 1 . . . . 32 TYR H . 16745 1
247 . 1 1 32 32 TYR HA H 1 4.211 0.02 . 1 . . . . 32 TYR HA . 16745 1
248 . 1 1 32 32 TYR HB2 H 1 2.568 0.02 . 1 . . . . 32 TYR HB2 . 16745 1
249 . 1 1 32 32 TYR HB3 H 1 2.939 0.02 . 1 . . . . 32 TYR HB3 . 16745 1
250 . 1 1 32 32 TYR HD1 H 1 7.273 0.02 . 1 . . . . 32 TYR HD1 . 16745 1
251 . 1 1 32 32 TYR HD2 H 1 7.273 0.02 . 1 . . . . 32 TYR HD2 . 16745 1
252 . 1 1 32 32 TYR HE1 H 1 6.767 0.02 . 1 . . . . 32 TYR HE1 . 16745 1
253 . 1 1 32 32 TYR HE2 H 1 6.767 0.02 . 1 . . . . 32 TYR HE2 . 16745 1
254 . 1 1 32 32 TYR CA C 13 59.644 0.3 . 1 . . . . 32 TYR CA . 16745 1
255 . 1 1 32 32 TYR CB C 13 41.014 0.3 . 1 . . . . 32 TYR CB . 16745 1
256 . 1 1 32 32 TYR CD1 C 13 134.018 3 . 1 . . . . 32 TYR CD1 . 16745 1
257 . 1 1 32 32 TYR CD2 C 13 134.018 3 . 1 . . . . 32 TYR CD2 . 16745 1
258 . 1 1 32 32 TYR CE1 C 13 117.831 0.3 . 1 . . . . 32 TYR CE1 . 16745 1
259 . 1 1 32 32 TYR CE2 C 13 117.831 0.3 . 1 . . . . 32 TYR CE2 . 16745 1
260 . 1 1 33 33 CYS H H 1 8.351 0.02 . 1 . . . . 33 CYS H . 16745 1
261 . 1 1 33 33 CYS HA H 1 4.618 0.02 . 1 . . . . 33 CYS HA . 16745 1
262 . 1 1 33 33 CYS HB2 H 1 2.809 0.02 . 1 . . . . 33 CYS HB2 . 16745 1
263 . 1 1 33 33 CYS HB3 H 1 3.259 0.02 . 1 . . . . 33 CYS HB3 . 16745 1
264 . 1 1 33 33 CYS CA C 13 54.593 0.3 . 1 . . . . 33 CYS CA . 16745 1
265 . 1 1 33 33 CYS CB C 13 43.154 0.3 . 1 . . . . 33 CYS CB . 16745 1
266 . 1 1 34 34 ALA H H 1 8.180 0.02 . 1 . . . . 34 ALA H . 16745 1
267 . 1 1 34 34 ALA HA H 1 4.350 0.02 . 1 . . . . 34 ALA HA . 16745 1
268 . 1 1 34 34 ALA HB1 H 1 1.406 0.02 . 1 . . . . 34 ALA HB . 16745 1
269 . 1 1 34 34 ALA HB2 H 1 1.406 0.02 . 1 . . . . 34 ALA HB . 16745 1
270 . 1 1 34 34 ALA HB3 H 1 1.406 0.02 . 1 . . . . 34 ALA HB . 16745 1
271 . 1 1 34 34 ALA CA C 13 52.715 0.3 . 1 . . . . 34 ALA CA . 16745 1
272 . 1 1 34 34 ALA CB C 13 19.112 0.3 . 1 . . . . 34 ALA CB . 16745 1
273 . 1 1 35 35 HIS H H 1 7.936 0.02 . 1 . . . . 35 HIS H . 16745 1
274 . 1 1 35 35 HIS HA H 1 4.463 0.02 . 1 . . . . 35 HIS HA . 16745 1
275 . 1 1 35 35 HIS HB2 H 1 3.265 0.02 . 2 . . . . 35 HIS HB2 . 16745 1
276 . 1 1 35 35 HIS HB3 H 1 3.132 0.02 . 2 . . . . 35 HIS HB3 . 16745 1
277 . 1 1 35 35 HIS HD2 H 1 7.257 0.02 . 1 . . . . 35 HIS HD2 . 16745 1
278 . 1 1 35 35 HIS HE1 H 1 8.595 0.02 . 1 . . . . 35 HIS HE1 . 16745 1
279 . 1 1 35 35 HIS CA C 13 55.857 0.3 . 1 . . . . 35 HIS CA . 16745 1
280 . 1 1 35 35 HIS CB C 13 29.576 0.3 . 1 . . . . 35 HIS CB . 16745 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 163 16745 1
1 241 16745 1
stop_
save_