###################################
# 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 30597
_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 $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-1H COSY' . . . 30597 1
2 '2D 1H-1H TOCSY' . . . 30597 1
3 '2D 1H-1H NOESY' . . . 30597 1
4 '2D 1H-1H COSY' . . . 30597 1
5 '2D 1H-1H TOCSY' . . . 30597 1
6 '2D 1H-1H NOESY' . . . 30597 1
7 '2D 1H-13C HSQC aliphatic' . . . 30597 1
8 '2D 1H-13C HSQC aromatic' . . . 30597 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 1 1 ALA HA H 1 3.590 . . . . . . . A 1 ALA HA . 30597 1
2 . 1 . 1 1 1 ALA HB1 H 1 1.286 . . . . . . . A 1 ALA HB1 . 30597 1
3 . 1 . 1 1 1 ALA HB2 H 1 1.286 . . . . . . . A 1 ALA HB2 . 30597 1
4 . 1 . 1 1 1 ALA HB3 H 1 1.286 . . . . . . . A 1 ALA HB3 . 30597 1
5 . 1 . 1 1 1 ALA CA C 13 55.213 . . . . . . . A 1 ALA CA . 30597 1
6 . 1 . 1 1 1 ALA CB C 13 24.994 . . . . . . . A 1 ALA CB . 30597 1
7 . 1 . 1 2 2 SER H H 1 8.704 . . . . . . . A 2 SER H . 30597 1
8 . 1 . 1 2 2 SER HA H 1 4.883 . . . . . . . A 2 SER HA . 30597 1
9 . 1 . 1 2 2 SER HB2 H 1 3.985 . . . . . . . A 2 SER HB2 . 30597 1
10 . 1 . 1 2 2 SER HB3 H 1 3.983 . . . . . . . A 2 SER HB3 . 30597 1
11 . 1 . 1 2 2 SER CA C 13 58.971 . . . . . . . A 2 SER CA . 30597 1
12 . 1 . 1 2 2 SER CB C 13 66.013 . . . . . . . A 2 SER CB . 30597 1
13 . 1 . 1 3 3 PRO HA H 1 4.464 . . . . . . . A 3 PRO HA . 30597 1
14 . 1 . 1 3 3 PRO HB2 H 1 2.427 . . . . . . . A 3 PRO HB2 . 30597 1
15 . 1 . 1 3 3 PRO HB3 H 1 2.002 . . . . . . . A 3 PRO HB3 . 30597 1
16 . 1 . 1 3 3 PRO HG2 H 1 2.116 . . . . . . . A 3 PRO HG2 . 30597 1
17 . 1 . 1 3 3 PRO HG3 H 1 2.169 . . . . . . . A 3 PRO HG3 . 30597 1
18 . 1 . 1 3 3 PRO HD2 H 1 3.848 . . . . . . . A 3 PRO HD2 . 30597 1
19 . 1 . 1 3 3 PRO HD3 H 1 3.871 . . . . . . . A 3 PRO HD3 . 30597 1
20 . 1 . 1 3 3 PRO CA C 13 66.995 . . . . . . . A 3 PRO CA . 30597 1
21 . 1 . 1 3 3 PRO CB C 13 34.746 . . . . . . . A 3 PRO CB . 30597 1
22 . 1 . 1 3 3 PRO CG C 13 30.366 . . . . . . . A 3 PRO CG . 30597 1
23 . 1 . 1 3 3 PRO CD C 13 53.503 . . . . . . . A 3 PRO CD . 30597 1
24 . 1 . 1 4 4 GLN H H 1 8.579 . . . . . . . A 4 GLN H . 30597 1
25 . 1 . 1 4 4 GLN HA H 1 4.186 . . . . . . . A 4 GLN HA . 30597 1
26 . 1 . 1 4 4 GLN HB2 H 1 2.083 . . . . . . . A 4 GLN HB2 . 30597 1
27 . 1 . 1 4 4 GLN HB3 H 1 2.083 . . . . . . . A 4 GLN HB3 . 30597 1
28 . 1 . 1 4 4 GLN HG2 H 1 2.424 . . . . . . . A 4 GLN HG2 . 30597 1
29 . 1 . 1 4 4 GLN HG3 H 1 2.424 . . . . . . . A 4 GLN HG3 . 30597 1
30 . 1 . 1 4 4 GLN HE21 H 1 7.610 . . . . . . . A 4 GLN HE21 . 30597 1
31 . 1 . 1 4 4 GLN HE22 H 1 6.869 . . . . . . . A 4 GLN HE22 . 30597 1
32 . 1 . 1 4 4 GLN CA C 13 60.433 . . . . . . . A 4 GLN CA . 30597 1
33 . 1 . 1 4 4 GLN CB C 13 34.723 . . . . . . . A 4 GLN CB . 30597 1
34 . 1 . 1 4 4 GLN CG C 13 34.737 . . . . . . . A 4 GLN CG . 30597 1
35 . 1 . 1 5 5 GLN H H 1 8.230 . . . . . . . A 5 GLN H . 30597 1
36 . 1 . 1 5 5 GLN HA H 1 4.226 . . . . . . . A 5 GLN HA . 30597 1
37 . 1 . 1 5 5 GLN HB2 H 1 2.196 . . . . . . . A 5 GLN HB2 . 30597 1
38 . 1 . 1 5 5 GLN HB3 H 1 2.194 . . . . . . . A 5 GLN HB3 . 30597 1
39 . 1 . 1 5 5 GLN HG2 H 1 2.485 . . . . . . . A 5 GLN HG2 . 30597 1
40 . 1 . 1 5 5 GLN HG3 H 1 2.485 . . . . . . . A 5 GLN HG3 . 30597 1
41 . 1 . 1 5 5 GLN HE21 H 1 6.924 . . . . . . . A 5 GLN HE21 . 30597 1
42 . 1 . 1 5 5 GLN HE22 H 1 7.603 . . . . . . . A 5 GLN HE22 . 30597 1
43 . 1 . 1 5 5 GLN CA C 13 60.665 . . . . . . . A 5 GLN CA . 30597 1
44 . 1 . 1 5 5 GLN CB C 13 31.718 . . . . . . . A 5 GLN CB . 30597 1
45 . 1 . 1 5 5 GLN CG C 13 36.969 . . . . . . . A 5 GLN CG . 30597 1
46 . 1 . 1 6 6 ALA H H 1 8.360 . . . . . . . A 6 ALA H . 30597 1
47 . 1 . 1 6 6 ALA HA H 1 4.041 . . . . . . . A 6 ALA HA . 30597 1
48 . 1 . 1 6 6 ALA HB1 H 1 1.451 . . . . . . . A 6 ALA HB1 . 30597 1
49 . 1 . 1 6 6 ALA HB2 H 1 1.451 . . . . . . . A 6 ALA HB2 . 30597 1
50 . 1 . 1 6 6 ALA HB3 H 1 1.451 . . . . . . . A 6 ALA HB3 . 30597 1
51 . 1 . 1 6 6 ALA CA C 13 57.938 . . . . . . . A 6 ALA CA . 30597 1
52 . 1 . 1 6 6 ALA CB C 13 20.893 . . . . . . . A 6 ALA CB . 30597 1
53 . 1 . 1 7 7 LYS H H 1 8.046 . . . . . . . A 7 LYS H . 30597 1
54 . 1 . 1 7 7 LYS HA H 1 4.158 . . . . . . . A 7 LYS HA . 30597 1
55 . 1 . 1 7 7 LYS HB2 H 1 1.918 . . . . . . . A 7 LYS HB2 . 30597 1
56 . 1 . 1 7 7 LYS HB3 H 1 1.894 . . . . . . . A 7 LYS HB3 . 30597 1
57 . 1 . 1 7 7 LYS HG2 H 1 1.395 . . . . . . . A 7 LYS HG2 . 30597 1
58 . 1 . 1 7 7 LYS HG3 H 1 1.499 . . . . . . . A 7 LYS HG3 . 30597 1
59 . 1 . 1 7 7 LYS HD2 H 1 1.690 . . . . . . . A 7 LYS HD2 . 30597 1
60 . 1 . 1 7 7 LYS HD3 H 1 1.690 . . . . . . . A 7 LYS HD3 . 30597 1
61 . 1 . 1 7 7 LYS HE2 H 1 2.993 . . . . . . . A 7 LYS HE2 . 30597 1
62 . 1 . 1 7 7 LYS CA C 13 62.413 . . . . . . . A 7 LYS CA . 30597 1
63 . 1 . 1 7 7 LYS CB C 13 35.114 . . . . . . . A 7 LYS CB . 30597 1
64 . 1 . 1 7 7 LYS CG C 13 27.500 . . . . . . . A 7 LYS CG . 30597 1
65 . 1 . 1 7 7 LYS CD C 13 29.601 . . . . . . . A 7 LYS CD . 30597 1
66 . 1 . 1 7 7 LYS CE C 13 44.596 . . . . . . . A 7 LYS CE . 30597 1
67 . 1 . 1 8 8 TYR H H 1 7.862 . . . . . . . A 8 TYR H . 30597 1
68 . 1 . 1 8 8 TYR HA H 1 4.366 . . . . . . . A 8 TYR HA . 30597 1
69 . 1 . 1 8 8 TYR HB2 H 1 3.104 . . . . . . . A 8 TYR HB2 . 30597 1
70 . 1 . 1 8 8 TYR HB3 H 1 3.131 . . . . . . . A 8 TYR HB3 . 30597 1
71 . 1 . 1 8 8 TYR HD1 H 1 7.161 . . . . . . . A 8 TYR HD1 . 30597 1
72 . 1 . 1 8 8 TYR HD2 H 1 7.161 . . . . . . . A 8 TYR HD2 . 30597 1
73 . 1 . 1 8 8 TYR HE1 H 1 6.797 . . . . . . . A 8 TYR HE1 . 30597 1
74 . 1 . 1 8 8 TYR HE2 H 1 6.797 . . . . . . . A 8 TYR HE2 . 30597 1
75 . 1 . 1 8 8 TYR CB C 13 40.646 . . . . . . . A 8 TYR CB . 30597 1
76 . 1 . 1 8 8 TYR CD1 C 13 135.920 . . . . . . . A 8 TYR CD1 . 30597 1
77 . 1 . 1 8 8 TYR CD2 C 13 135.920 . . . . . . . A 8 TYR CD2 . 30597 1
78 . 1 . 1 8 8 TYR CE1 C 13 120.994 . . . . . . . A 8 TYR CE1 . 30597 1
79 . 1 . 1 8 8 TYR CE2 C 13 120.994 . . . . . . . A 8 TYR CE2 . 30597 1
80 . 1 . 1 9 9 CYS H H 1 7.921 . . . . . . . A 9 CYS H . 30597 1
81 . 1 . 1 9 9 CYS HA H 1 4.069 . . . . . . . A 9 CYS HA . 30597 1
82 . 1 . 1 9 9 CYS HB2 H 1 2.825 . . . . . . . A 9 CYS HB2 . 30597 1
83 . 1 . 1 9 9 CYS HB3 H 1 3.242 . . . . . . . A 9 CYS HB3 . 30597 1
84 . 1 . 1 9 9 CYS CB C 13 38.800 . . . . . . . A 9 CYS CB . 30597 1
85 . 1 . 1 10 10 TYR H H 1 8.420 . . . . . . . A 10 TYR H . 30597 1
86 . 1 . 1 10 10 TYR HA H 1 4.204 . . . . . . . A 10 TYR HA . 30597 1
87 . 1 . 1 10 10 TYR HB2 H 1 3.111 . . . . . . . A 10 TYR HB2 . 30597 1
88 . 1 . 1 10 10 TYR HB3 H 1 2.961 . . . . . . . A 10 TYR HB3 . 30597 1
89 . 1 . 1 10 10 TYR HD1 H 1 7.254 . . . . . . . A 10 TYR HD1 . 30597 1
90 . 1 . 1 10 10 TYR HD2 H 1 7.254 . . . . . . . A 10 TYR HD2 . 30597 1
91 . 1 . 1 10 10 TYR HE1 H 1 6.538 . . . . . . . A 10 TYR HE1 . 30597 1
92 . 1 . 1 10 10 TYR HE2 H 1 6.538 . . . . . . . A 10 TYR HE2 . 30597 1
93 . 1 . 1 10 10 TYR CA C 13 65.873 . . . . . . . A 10 TYR CA . 30597 1
94 . 1 . 1 10 10 TYR CB C 13 40.620 . . . . . . . A 10 TYR CB . 30597 1
95 . 1 . 1 10 10 TYR CD1 C 13 136.776 . . . . . . . A 10 TYR CD1 . 30597 1
96 . 1 . 1 10 10 TYR CD2 C 13 136.776 . . . . . . . A 10 TYR CD2 . 30597 1
97 . 1 . 1 10 10 TYR CE1 C 13 120.264 . . . . . . . A 10 TYR CE1 . 30597 1
98 . 1 . 1 10 10 TYR CE2 C 13 120.264 . . . . . . . A 10 TYR CE2 . 30597 1
99 . 1 . 1 11 11 GLU H H 1 8.323 . . . . . . . A 11 GLU H . 30597 1
100 . 1 . 1 11 11 GLU HA H 1 4.180 . . . . . . . A 11 GLU HA . 30597 1
101 . 1 . 1 11 11 GLU HB2 H 1 2.096 . . . . . . . A 11 GLU HB2 . 30597 1
102 . 1 . 1 11 11 GLU HB3 H 1 2.266 . . . . . . . A 11 GLU HB3 . 30597 1
103 . 1 . 1 11 11 GLU HG2 H 1 2.521 . . . . . . . A 11 GLU HG2 . 30597 1
104 . 1 . 1 11 11 GLU HG3 H 1 2.279 . . . . . . . A 11 GLU HG3 . 30597 1
105 . 1 . 1 11 11 GLU CA C 13 62.269 . . . . . . . A 11 GLU CA . 30597 1
106 . 1 . 1 11 11 GLU CB C 13 31.927 . . . . . . . A 11 GLU CB . 30597 1
107 . 1 . 1 11 11 GLU CG C 13 39.116 . . . . . . . A 11 GLU CG . 30597 1
108 . 1 . 1 12 12 GLN H H 1 8.280 . . . . . . . A 12 GLN H . 30597 1
109 . 1 . 1 12 12 GLN HA H 1 3.952 . . . . . . . A 12 GLN HA . 30597 1
110 . 1 . 1 12 12 GLN HB2 H 1 1.949 . . . . . . . A 12 GLN HB2 . 30597 1
111 . 1 . 1 12 12 GLN HB3 H 1 1.954 . . . . . . . A 12 GLN HB3 . 30597 1
112 . 1 . 1 12 12 GLN HG2 H 1 2.054 . . . . . . . A 12 GLN HG2 . 30597 1
113 . 1 . 1 12 12 GLN HG3 H 1 2.095 . . . . . . . A 12 GLN HG3 . 30597 1
114 . 1 . 1 12 12 GLN HE21 H 1 6.853 . . . . . . . A 12 GLN HE21 . 30597 1
115 . 1 . 1 12 12 GLN HE22 H 1 6.946 . . . . . . . A 12 GLN HE22 . 30597 1
116 . 1 . 1 12 12 GLN CA C 13 60.522 . . . . . . . A 12 GLN CA . 30597 1
117 . 1 . 1 12 12 GLN CB C 13 34.755 . . . . . . . A 12 GLN CB . 30597 1
118 . 1 . 1 12 12 GLN CG C 13 30.744 . . . . . . . A 12 GLN CG . 30597 1
119 . 1 . 1 13 13 CYS H H 1 8.122 . . . . . . . A 13 CYS H . 30597 1
120 . 1 . 1 13 13 CYS HA H 1 4.072 . . . . . . . A 13 CYS HA . 30597 1
121 . 1 . 1 13 13 CYS HB2 H 1 3.452 . . . . . . . A 13 CYS HB2 . 30597 1
122 . 1 . 1 13 13 CYS HB3 H 1 3.695 . . . . . . . A 13 CYS HB3 . 30597 1
123 . 1 . 1 13 13 CYS CB C 13 44.901 . . . . . . . A 13 CYS CB . 30597 1
124 . 1 . 1 14 14 ASN H H 1 7.609 . . . . . . . A 14 ASN H . 30597 1
125 . 1 . 1 14 14 ASN HA H 1 4.639 . . . . . . . A 14 ASN HA . 30597 1
126 . 1 . 1 14 14 ASN HB2 H 1 3.002 . . . . . . . A 14 ASN HB2 . 30597 1
127 . 1 . 1 14 14 ASN HB3 H 1 3.000 . . . . . . . A 14 ASN HB3 . 30597 1
128 . 1 . 1 14 14 ASN HD21 H 1 7.717 . . . . . . . A 14 ASN HD21 . 30597 1
129 . 1 . 1 14 14 ASN HD22 H 1 6.994 . . . . . . . A 14 ASN HD22 . 30597 1
130 . 1 . 1 14 14 ASN CA C 13 58.779 . . . . . . . A 14 ASN CA . 30597 1
131 . 1 . 1 14 14 ASN CB C 13 41.021 . . . . . . . A 14 ASN CB . 30597 1
132 . 1 . 1 15 15 VAL H H 1 7.863 . . . . . . . A 15 VAL H . 30597 1
133 . 1 . 1 15 15 VAL HA H 1 3.749 . . . . . . . A 15 VAL HA . 30597 1
134 . 1 . 1 15 15 VAL HB H 1 2.091 . . . . . . . A 15 VAL HB . 30597 1
135 . 1 . 1 15 15 VAL HG11 H 1 0.954 . . . . . . . A 15 VAL HG11 . 30597 1
136 . 1 . 1 15 15 VAL HG12 H 1 0.954 . . . . . . . A 15 VAL HG12 . 30597 1
137 . 1 . 1 15 15 VAL HG13 H 1 0.954 . . . . . . . A 15 VAL HG13 . 30597 1
138 . 1 . 1 15 15 VAL HG21 H 1 1.063 . . . . . . . A 15 VAL HG21 . 30597 1
139 . 1 . 1 15 15 VAL HG22 H 1 1.063 . . . . . . . A 15 VAL HG22 . 30597 1
140 . 1 . 1 15 15 VAL HG23 H 1 1.063 . . . . . . . A 15 VAL HG23 . 30597 1
141 . 1 . 1 15 15 VAL CA C 13 68.517 . . . . . . . A 15 VAL CA . 30597 1
142 . 1 . 1 15 15 VAL CB C 13 31.177 . . . . . . . A 15 VAL CB . 30597 1
143 . 1 . 1 15 15 VAL CG1 C 13 23.578 . . . . . . . A 15 VAL CG1 . 30597 1
144 . 1 . 1 15 15 VAL CG2 C 13 24.846 . . . . . . . A 15 VAL CG2 . 30597 1
145 . 1 . 1 16 16 ASN H H 1 7.864 . . . . . . . A 16 ASN H . 30597 1
146 . 1 . 1 16 16 ASN HA H 1 4.775 . . . . . . . A 16 ASN HA . 30597 1
147 . 1 . 1 16 16 ASN HB2 H 1 2.952 . . . . . . . A 16 ASN HB2 . 30597 1
148 . 1 . 1 16 16 ASN HB3 H 1 2.659 . . . . . . . A 16 ASN HB3 . 30597 1
149 . 1 . 1 16 16 ASN HD21 H 1 7.589 . . . . . . . A 16 ASN HD21 . 30597 1
150 . 1 . 1 16 16 ASN HD22 H 1 6.888 . . . . . . . A 16 ASN HD22 . 30597 1
151 . 1 . 1 16 16 ASN CA C 13 58.970 . . . . . . . A 16 ASN CA . 30597 1
152 . 1 . 1 16 16 ASN CB C 13 41.482 . . . . . . . A 16 ASN CB . 30597 1
153 . 1 . 1 17 17 LYS H H 1 7.764 . . . . . . . A 17 LYS H . 30597 1
154 . 1 . 1 17 17 LYS HA H 1 4.019 . . . . . . . A 17 LYS HA . 30597 1
155 . 1 . 1 17 17 LYS HB2 H 1 1.905 . . . . . . . A 17 LYS HB2 . 30597 1
156 . 1 . 1 17 17 LYS HB3 H 1 2.094 . . . . . . . A 17 LYS HB3 . 30597 1
157 . 1 . 1 17 17 LYS HG2 H 1 1.398 . . . . . . . A 17 LYS HG2 . 30597 1
158 . 1 . 1 17 17 LYS HG3 H 1 1.398 . . . . . . . A 17 LYS HG3 . 30597 1
159 . 1 . 1 17 17 LYS HD2 H 1 1.766 . . . . . . . A 17 LYS HD2 . 30597 1
160 . 1 . 1 17 17 LYS HD3 H 1 1.688 . . . . . . . A 17 LYS HD3 . 30597 1
161 . 1 . 1 17 17 LYS HE2 H 1 3.041 . . . . . . . A 17 LYS HE2 . 30597 1
162 . 1 . 1 17 17 LYS HE3 H 1 3.041 . . . . . . . A 17 LYS HE3 . 30597 1
163 . 1 . 1 17 17 LYS CA C 13 59.558 . . . . . . . A 17 LYS CA . 30597 1
164 . 1 . 1 17 17 LYS CB C 13 31.372 . . . . . . . A 17 LYS CB . 30597 1
165 . 1 . 1 17 17 LYS CG C 13 27.533 . . . . . . . A 17 LYS CG . 30597 1
166 . 1 . 1 17 17 LYS CD C 13 31.630 . . . . . . . A 17 LYS CD . 30597 1
167 . 1 . 1 17 17 LYS CE C 13 44.844 . . . . . . . A 17 LYS CE . 30597 1
168 . 1 . 1 18 18 VAL H H 1 8.361 . . . . . . . A 18 VAL H . 30597 1
169 . 1 . 1 18 18 VAL HA H 1 4.278 . . . . . . . A 18 VAL HA . 30597 1
170 . 1 . 1 18 18 VAL HB H 1 1.927 . . . . . . . A 18 VAL HB . 30597 1
171 . 1 . 1 18 18 VAL HG11 H 1 0.963 . . . . . . . A 18 VAL HG11 . 30597 1
172 . 1 . 1 18 18 VAL HG12 H 1 0.963 . . . . . . . A 18 VAL HG12 . 30597 1
173 . 1 . 1 18 18 VAL HG13 H 1 0.963 . . . . . . . A 18 VAL HG13 . 30597 1
174 . 1 . 1 18 18 VAL HG21 H 1 1.054 . . . . . . . A 18 VAL HG21 . 30597 1
175 . 1 . 1 18 18 VAL HG22 H 1 1.054 . . . . . . . A 18 VAL HG22 . 30597 1
176 . 1 . 1 18 18 VAL HG23 H 1 1.054 . . . . . . . A 18 VAL HG23 . 30597 1
177 . 1 . 1 18 18 VAL CA C 13 62.948 . . . . . . . A 18 VAL CA . 30597 1
178 . 1 . 1 18 18 VAL CB C 13 36.010 . . . . . . . A 18 VAL CB . 30597 1
179 . 1 . 1 18 18 VAL CG1 C 13 24.737 . . . . . . . A 18 VAL CG1 . 30597 1
180 . 1 . 1 18 18 VAL CG2 C 13 23.713 . . . . . . . A 18 VAL CG2 . 30597 1
181 . 1 . 1 19 19 PRO HA H 1 4.500 . . . . . . . A 19 PRO HA . 30597 1
182 . 1 . 1 19 19 PRO HB2 H 1 2.502 . . . . . . . A 19 PRO HB2 . 30597 1
183 . 1 . 1 19 19 PRO HB3 H 1 2.135 . . . . . . . A 19 PRO HB3 . 30597 1
184 . 1 . 1 19 19 PRO HG2 H 1 2.092 . . . . . . . A 19 PRO HG2 . 30597 1
185 . 1 . 1 19 19 PRO HG3 H 1 2.092 . . . . . . . A 19 PRO HG3 . 30597 1
186 . 1 . 1 19 19 PRO HD2 H 1 3.672 . . . . . . . A 19 PRO HD2 . 30597 1
187 . 1 . 1 19 19 PRO HD3 H 1 4.113 . . . . . . . A 19 PRO HD3 . 30597 1
188 . 1 . 1 19 19 PRO CA C 13 65.671 . . . . . . . A 19 PRO CA . 30597 1
189 . 1 . 1 19 19 PRO CB C 13 35.559 . . . . . . . A 19 PRO CB . 30597 1
190 . 1 . 1 19 19 PRO CG C 13 30.749 . . . . . . . A 19 PRO CG . 30597 1
191 . 1 . 1 19 19 PRO CD C 13 53.997 . . . . . . . A 19 PRO CD . 30597 1
192 . 1 . 1 20 20 PHE H H 1 8.874 . . . . . . . A 20 PHE H . 30597 1
193 . 1 . 1 20 20 PHE HA H 1 4.182 . . . . . . . A 20 PHE HA . 30597 1
194 . 1 . 1 20 20 PHE HB2 H 1 3.356 . . . . . . . A 20 PHE HB2 . 30597 1
195 . 1 . 1 20 20 PHE HB3 H 1 3.034 . . . . . . . A 20 PHE HB3 . 30597 1
196 . 1 . 1 20 20 PHE HD1 H 1 7.310 . . . . . . . A 20 PHE HD1 . 30597 1
197 . 1 . 1 20 20 PHE HD2 H 1 7.310 . . . . . . . A 20 PHE HD2 . 30597 1
198 . 1 . 1 20 20 PHE HE1 H 1 7.313 . . . . . . . A 20 PHE HE1 . 30597 1
199 . 1 . 1 20 20 PHE HE2 H 1 7.313 . . . . . . . A 20 PHE HE2 . 30597 1
200 . 1 . 1 20 20 PHE HZ H 1 7.272 . . . . . . . A 20 PHE HZ . 30597 1
201 . 1 . 1 20 20 PHE CA C 13 65.568 . . . . . . . A 20 PHE CA . 30597 1
202 . 1 . 1 20 20 PHE CB C 13 42.043 . . . . . . . A 20 PHE CB . 30597 1
203 . 1 . 1 20 20 PHE CD1 C 13 134.801 . . . . . . . A 20 PHE CD1 . 30597 1
204 . 1 . 1 20 20 PHE CD2 C 13 134.801 . . . . . . . A 20 PHE CD2 . 30597 1
205 . 1 . 1 20 20 PHE CE1 C 13 134.065 . . . . . . . A 20 PHE CE1 . 30597 1
206 . 1 . 1 20 20 PHE CE2 C 13 134.065 . . . . . . . A 20 PHE CE2 . 30597 1
207 . 1 . 1 20 20 PHE CZ C 13 132.645 . . . . . . . A 20 PHE CZ . 30597 1
208 . 1 . 1 21 21 ASP H H 1 8.997 . . . . . . . A 21 ASP H . 30597 1
209 . 1 . 1 21 21 ASP HA H 1 4.269 . . . . . . . A 21 ASP HA . 30597 1
210 . 1 . 1 21 21 ASP HB2 H 1 2.732 . . . . . . . A 21 ASP HB2 . 30597 1
211 . 1 . 1 21 21 ASP HB3 H 1 2.688 . . . . . . . A 21 ASP HB3 . 30597 1
212 . 1 . 1 21 21 ASP CA C 13 59.942 . . . . . . . A 21 ASP CA . 30597 1
213 . 1 . 1 21 21 ASP CB C 13 41.990 . . . . . . . A 21 ASP CB . 30597 1
214 . 1 . 1 22 22 GLN H H 1 7.440 . . . . . . . A 22 GLN H . 30597 1
215 . 1 . 1 22 22 GLN HA H 1 4.084 . . . . . . . A 22 GLN HA . 30597 1
216 . 1 . 1 22 22 GLN HB2 H 1 2.009 . . . . . . . A 22 GLN HB2 . 30597 1
217 . 1 . 1 22 22 GLN HB3 H 1 2.009 . . . . . . . A 22 GLN HB3 . 30597 1
218 . 1 . 1 22 22 GLN HG2 H 1 2.357 . . . . . . . A 22 GLN HG2 . 30597 1
219 . 1 . 1 22 22 GLN HG3 H 1 2.425 . . . . . . . A 22 GLN HG3 . 30597 1
220 . 1 . 1 22 22 GLN HE21 H 1 7.466 . . . . . . . A 22 GLN HE21 . 30597 1
221 . 1 . 1 22 22 GLN HE22 H 1 6.917 . . . . . . . A 22 GLN HE22 . 30597 1
222 . 1 . 1 22 22 GLN CA C 13 60.974 . . . . . . . A 22 GLN CA . 30597 1
223 . 1 . 1 22 22 GLN CB C 13 31.333 . . . . . . . A 22 GLN CB . 30597 1
224 . 1 . 1 22 22 GLN CG C 13 36.536 . . . . . . . A 22 GLN CG . 30597 1
225 . 1 . 1 23 23 CYS H H 1 8.571 . . . . . . . A 23 CYS H . 30597 1
226 . 1 . 1 23 23 CYS HA H 1 4.038 . . . . . . . A 23 CYS HA . 30597 1
227 . 1 . 1 23 23 CYS HB2 H 1 3.176 . . . . . . . A 23 CYS HB2 . 30597 1
228 . 1 . 1 23 23 CYS HB3 H 1 2.799 . . . . . . . A 23 CYS HB3 . 30597 1
229 . 1 . 1 23 23 CYS CB C 13 43.126 . . . . . . . A 23 CYS CB . 30597 1
230 . 1 . 1 24 24 TYR H H 1 8.833 . . . . . . . A 24 TYR H . 30597 1
231 . 1 . 1 24 24 TYR HA H 1 4.044 . . . . . . . A 24 TYR HA . 30597 1
232 . 1 . 1 24 24 TYR HB2 H 1 2.694 . . . . . . . A 24 TYR HB2 . 30597 1
233 . 1 . 1 24 24 TYR HB3 H 1 2.897 . . . . . . . A 24 TYR HB3 . 30597 1
234 . 1 . 1 24 24 TYR HD1 H 1 7.139 . . . . . . . A 24 TYR HD1 . 30597 1
235 . 1 . 1 24 24 TYR HD2 H 1 7.139 . . . . . . . A 24 TYR HD2 . 30597 1
236 . 1 . 1 24 24 TYR HE1 H 1 6.872 . . . . . . . A 24 TYR HE1 . 30597 1
237 . 1 . 1 24 24 TYR HE2 H 1 6.872 . . . . . . . A 24 TYR HE2 . 30597 1
238 . 1 . 1 24 24 TYR CB C 13 40.693 . . . . . . . A 24 TYR CB . 30597 1
239 . 1 . 1 24 24 TYR CD1 C 13 135.920 . . . . . . . A 24 TYR CD1 . 30597 1
240 . 1 . 1 24 24 TYR CD2 C 13 135.920 . . . . . . . A 24 TYR CD2 . 30597 1
241 . 1 . 1 24 24 TYR CE1 C 13 121.136 . . . . . . . A 24 TYR CE1 . 30597 1
242 . 1 . 1 24 24 TYR CE2 C 13 121.136 . . . . . . . A 24 TYR CE2 . 30597 1
243 . 1 . 1 25 25 GLN H H 1 7.604 . . . . . . . A 25 GLN H . 30597 1
244 . 1 . 1 25 25 GLN HA H 1 3.868 . . . . . . . A 25 GLN HA . 30597 1
245 . 1 . 1 25 25 GLN HB2 H 1 2.162 . . . . . . . A 25 GLN HB2 . 30597 1
246 . 1 . 1 25 25 GLN HB3 H 1 2.162 . . . . . . . A 25 GLN HB3 . 30597 1
247 . 1 . 1 25 25 GLN HG2 H 1 2.574 . . . . . . . A 25 GLN HG2 . 30597 1
248 . 1 . 1 25 25 GLN HG3 H 1 2.579 . . . . . . . A 25 GLN HG3 . 30597 1
249 . 1 . 1 25 25 GLN HE21 H 1 6.896 . . . . . . . A 25 GLN HE21 . 30597 1
250 . 1 . 1 25 25 GLN HE22 H 1 7.534 . . . . . . . A 25 GLN HE22 . 30597 1
251 . 1 . 1 25 25 GLN CA C 13 61.302 . . . . . . . A 25 GLN CA . 30597 1
252 . 1 . 1 25 25 GLN CB C 13 31.080 . . . . . . . A 25 GLN CB . 30597 1
253 . 1 . 1 25 25 GLN CG C 13 36.415 . . . . . . . A 25 GLN CG . 30597 1
254 . 1 . 1 26 26 MET H H 1 7.582 . . . . . . . A 26 MET H . 30597 1
255 . 1 . 1 26 26 MET HA H 1 4.152 . . . . . . . A 26 MET HA . 30597 1
256 . 1 . 1 26 26 MET HB2 H 1 2.161 . . . . . . . A 26 MET HB2 . 30597 1
257 . 1 . 1 26 26 MET HB3 H 1 2.072 . . . . . . . A 26 MET HB3 . 30597 1
258 . 1 . 1 26 26 MET HG2 H 1 2.571 . . . . . . . A 26 MET HG2 . 30597 1
259 . 1 . 1 26 26 MET HG3 H 1 2.484 . . . . . . . A 26 MET HG3 . 30597 1
260 . 1 . 1 26 26 MET HE1 H 1 2.060 . . . . . . . A 26 MET HE1 . 30597 1
261 . 1 . 1 26 26 MET HE2 H 1 2.060 . . . . . . . A 26 MET HE2 . 30597 1
262 . 1 . 1 26 26 MET HE3 H 1 2.060 . . . . . . . A 26 MET HE3 . 30597 1
263 . 1 . 1 26 26 MET CA C 13 60.727 . . . . . . . A 26 MET CA . 30597 1
264 . 1 . 1 26 26 MET CB C 13 36.631 . . . . . . . A 26 MET CB . 30597 1
265 . 1 . 1 26 26 MET CG C 13 33.969 . . . . . . . A 26 MET CG . 30597 1
266 . 1 . 1 26 26 MET CE C 13 19.429 . . . . . . . A 26 MET CE . 30597 1
267 . 1 . 1 27 27 CYS H H 1 8.441 . . . . . . . A 27 CYS H . 30597 1
268 . 1 . 1 27 27 CYS HA H 1 4.745 . . . . . . . A 27 CYS HA . 30597 1
269 . 1 . 1 27 27 CYS HB2 H 1 1.787 . . . . . . . A 27 CYS HB2 . 30597 1
270 . 1 . 1 27 27 CYS HB3 H 1 2.253 . . . . . . . A 27 CYS HB3 . 30597 1
271 . 1 . 1 27 27 CYS CA C 13 56.098 . . . . . . . A 27 CYS CA . 30597 1
272 . 1 . 1 27 27 CYS CB C 13 40.274 . . . . . . . A 27 CYS CB . 30597 1
273 . 1 . 1 28 28 SER H H 1 8.253 . . . . . . . A 28 SER H . 30597 1
274 . 1 . 1 28 28 SER HA H 1 4.364 . . . . . . . A 28 SER HA . 30597 1
275 . 1 . 1 28 28 SER HB2 H 1 3.568 . . . . . . . A 28 SER HB2 . 30597 1
276 . 1 . 1 28 28 SER HB3 H 1 3.275 . . . . . . . A 28 SER HB3 . 30597 1
277 . 1 . 1 28 28 SER CB C 13 65.541 . . . . . . . A 28 SER CB . 30597 1
278 . 1 . 1 29 29 PRO HA H 1 4.353 . . . . . . . A 29 PRO HA . 30597 1
279 . 1 . 1 29 29 PRO HB2 H 1 2.373 . . . . . . . A 29 PRO HB2 . 30597 1
280 . 1 . 1 29 29 PRO HB3 H 1 1.681 . . . . . . . A 29 PRO HB3 . 30597 1
281 . 1 . 1 29 29 PRO HG2 H 1 1.974 . . . . . . . A 29 PRO HG2 . 30597 1
282 . 1 . 1 29 29 PRO HG3 H 1 1.819 . . . . . . . A 29 PRO HG3 . 30597 1
283 . 1 . 1 29 29 PRO HD2 H 1 3.134 . . . . . . . A 29 PRO HD2 . 30597 1
284 . 1 . 1 29 29 PRO HD3 H 1 3.769 . . . . . . . A 29 PRO HD3 . 30597 1
285 . 1 . 1 29 29 PRO CA C 13 68.084 . . . . . . . A 29 PRO CA . 30597 1
286 . 1 . 1 29 29 PRO CB C 13 34.197 . . . . . . . A 29 PRO CB . 30597 1
287 . 1 . 1 29 29 PRO CG C 13 31.081 . . . . . . . A 29 PRO CG . 30597 1
288 . 1 . 1 29 29 PRO CD C 13 54.399 . . . . . . . A 29 PRO CD . 30597 1
289 . 1 . 1 30 30 LEU H H 1 7.599 . . . . . . . A 30 LEU H . 30597 1
290 . 1 . 1 30 30 LEU HA H 1 4.235 . . . . . . . A 30 LEU HA . 30597 1
291 . 1 . 1 30 30 LEU HB2 H 1 1.487 . . . . . . . A 30 LEU HB2 . 30597 1
292 . 1 . 1 30 30 LEU HB3 H 1 1.916 . . . . . . . A 30 LEU HB3 . 30597 1
293 . 1 . 1 30 30 LEU HG H 1 1.690 . . . . . . . A 30 LEU HG . 30597 1
294 . 1 . 1 30 30 LEU HD11 H 1 0.934 . . . . . . . A 30 LEU HD11 . 30597 1
295 . 1 . 1 30 30 LEU HD12 H 1 0.934 . . . . . . . A 30 LEU HD12 . 30597 1
296 . 1 . 1 30 30 LEU HD13 H 1 0.934 . . . . . . . A 30 LEU HD13 . 30597 1
297 . 1 . 1 30 30 LEU HD21 H 1 0.865 . . . . . . . A 30 LEU HD21 . 30597 1
298 . 1 . 1 30 30 LEU HD22 H 1 0.865 . . . . . . . A 30 LEU HD22 . 30597 1
299 . 1 . 1 30 30 LEU HD23 H 1 0.865 . . . . . . . A 30 LEU HD23 . 30597 1
300 . 1 . 1 30 30 LEU CA C 13 58.023 . . . . . . . A 30 LEU CA . 30597 1
301 . 1 . 1 30 30 LEU CB C 13 44.399 . . . . . . . A 30 LEU CB . 30597 1
302 . 1 . 1 30 30 LEU CG C 13 29.938 . . . . . . . A 30 LEU CG . 30597 1
303 . 1 . 1 30 30 LEU CD1 C 13 28.890 . . . . . . . A 30 LEU CD1 . 30597 1
304 . 1 . 1 30 30 LEU CD2 C 13 25.222 . . . . . . . A 30 LEU CD2 . 30597 1
305 . 1 . 1 31 31 GLU H H 1 7.895 . . . . . . . A 31 GLU H . 30597 1
306 . 1 . 1 31 31 GLU HA H 1 4.294 . . . . . . . A 31 GLU HA . 30597 1
307 . 1 . 1 31 31 GLU HB2 H 1 2.190 . . . . . . . A 31 GLU HB2 . 30597 1
308 . 1 . 1 31 31 GLU HB3 H 1 2.113 . . . . . . . A 31 GLU HB3 . 30597 1
309 . 1 . 1 31 31 GLU HG2 H 1 2.387 . . . . . . . A 31 GLU HG2 . 30597 1
310 . 1 . 1 31 31 GLU HG3 H 1 2.262 . . . . . . . A 31 GLU HG3 . 30597 1
311 . 1 . 1 31 31 GLU CA C 13 59.362 . . . . . . . A 31 GLU CA . 30597 1
312 . 1 . 1 31 31 GLU CB C 13 33.102 . . . . . . . A 31 GLU CB . 30597 1
313 . 1 . 1 31 31 GLU CG C 13 39.906 . . . . . . . A 31 GLU CG . 30597 1
314 . 1 . 1 32 32 ARG H H 1 7.664 . . . . . . . A 32 ARG H . 30597 1
315 . 1 . 1 32 32 ARG HA H 1 4.487 . . . . . . . A 32 ARG HA . 30597 1
316 . 1 . 1 32 32 ARG HB2 H 1 1.809 . . . . . . . A 32 ARG HB2 . 30597 1
317 . 1 . 1 32 32 ARG HB3 H 1 1.964 . . . . . . . A 32 ARG HB3 . 30597 1
318 . 1 . 1 32 32 ARG HG2 H 1 1.683 . . . . . . . A 32 ARG HG2 . 30597 1
319 . 1 . 1 32 32 ARG HG3 H 1 1.683 . . . . . . . A 32 ARG HG3 . 30597 1
320 . 1 . 1 32 32 ARG HD2 H 1 3.235 . . . . . . . A 32 ARG HD2 . 30597 1
321 . 1 . 1 32 32 ARG HD3 H 1 3.235 . . . . . . . A 32 ARG HD3 . 30597 1
322 . 1 . 1 32 32 ARG CA C 13 58.435 . . . . . . . A 32 ARG CA . 30597 1
323 . 1 . 1 32 32 ARG CB C 13 33.904 . . . . . . . A 32 ARG CB . 30597 1
324 . 1 . 1 32 32 ARG CG C 13 31.632 . . . . . . . A 32 ARG CG . 30597 1
325 . 1 . 1 32 32 ARG CD C 13 45.999 . . . . . . . A 32 ARG CD . 30597 1
326 . 1 . 1 33 33 SER H H 1 8.005 . . . . . . . A 33 SER H . 30597 1
327 . 1 . 1 33 33 SER HA H 1 4.304 . . . . . . . A 33 SER HA . 30597 1
328 . 1 . 1 33 33 SER HB2 H 1 3.876 . . . . . . . A 33 SER HB2 . 30597 1
329 . 1 . 1 33 33 SER HB3 H 1 3.876 . . . . . . . A 33 SER HB3 . 30597 1
330 . 1 . 1 33 33 SER CA C 13 62.666 . . . . . . . A 33 SER CA . 30597 1
331 . 1 . 1 33 33 SER CB C 13 67.466 . . . . . . . A 33 SER CB . 30597 1
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