###################################
# 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 25223
_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 0.2
_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
4 '3D HNCO' . . . 25223 1
5 '3D 1H-15N NOESY' . . . 25223 1
6 '3D 1H-13C NOESY aliphatic' . . . 25223 1
7 '3D 1H-13C NOESY aromatic' . . . 25223 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 ALA HA H 1 4.074 0.02 . 1 . . . A 1 ALA HA . 25223 1
2 . 1 1 1 1 ALA HB1 H 1 1.494 0.02 . 1 . . . A 1 ALA HB1 . 25223 1
3 . 1 1 1 1 ALA HB2 H 1 1.494 0.02 . 1 . . . A 1 ALA HB2 . 25223 1
4 . 1 1 1 1 ALA HB3 H 1 1.494 0.02 . 1 . . . A 1 ALA HB3 . 25223 1
5 . 1 1 1 1 ALA C C 13 173.288 0.3 . 1 . . . A 1 ALA C . 25223 1
6 . 1 1 1 1 ALA CA C 13 51.657 0.3 . 1 . . . A 1 ALA CA . 25223 1
7 . 1 1 1 1 ALA CB C 13 19.430 0.3 . 1 . . . A 1 ALA CB . 25223 1
8 . 1 1 2 2 ASP H H 1 8.685 0.02 . 1 . . . A 2 ASP H . 25223 1
9 . 1 1 2 2 ASP HA H 1 4.509 0.02 . 1 . . . A 2 ASP HA . 25223 1
10 . 1 1 2 2 ASP HB2 H 1 2.595 0.02 . 2 . . . A 2 ASP HB2 . 25223 1
11 . 1 1 2 2 ASP HB3 H 1 2.482 0.02 . 2 . . . A 2 ASP HB3 . 25223 1
12 . 1 1 2 2 ASP C C 13 174.890 0.3 . 1 . . . A 2 ASP C . 25223 1
13 . 1 1 2 2 ASP CA C 13 54.313 0.3 . 1 . . . A 2 ASP CA . 25223 1
14 . 1 1 2 2 ASP CB C 13 40.869 0.3 . 1 . . . A 2 ASP CB . 25223 1
15 . 1 1 2 2 ASP N N 15 120.785 0.2 . 1 . . . A 2 ASP N . 25223 1
16 . 1 1 3 3 ASN H H 1 8.536 0.02 . 1 . . . A 3 ASN H . 25223 1
17 . 1 1 3 3 ASN HA H 1 4.241 0.02 . 1 . . . A 3 ASN HA . 25223 1
18 . 1 1 3 3 ASN HB2 H 1 3.045 0.02 . 2 . . . A 3 ASN HB2 . 25223 1
19 . 1 1 3 3 ASN HB3 H 1 2.557 0.02 . 2 . . . A 3 ASN HB3 . 25223 1
20 . 1 1 3 3 ASN C C 13 176.070 0.3 . 1 . . . A 3 ASN C . 25223 1
21 . 1 1 3 3 ASN CA C 13 52.743 0.3 . 1 . . . A 3 ASN CA . 25223 1
22 . 1 1 3 3 ASN CB C 13 37.371 0.3 . 1 . . . A 3 ASN CB . 25223 1
23 . 1 1 3 3 ASN N N 15 119.347 0.2 . 1 . . . A 3 ASN N . 25223 1
24 . 1 1 3 3 ASN ND2 N 15 110.936 0.2 . 1 . . . A 3 ASN ND2 . 25223 1
25 . 1 1 4 4 LYS H H 1 8.231 0.02 . 1 . . . A 4 LYS H . 25223 1
26 . 1 1 4 4 LYS HA H 1 4.147 0.02 . 1 . . . A 4 LYS HA . 25223 1
27 . 1 1 4 4 LYS HB2 H 1 1.872 0.02 . 1 . . . A 4 LYS HB2 . 25223 1
28 . 1 1 4 4 LYS HB3 H 1 1.473 0.02 . 1 . . . A 4 LYS HB3 . 25223 1
29 . 1 1 4 4 LYS HG2 H 1 1.466 0.02 . 2 . . . A 4 LYS HG2 . 25223 1
30 . 1 1 4 4 LYS HG3 H 1 1.439 0.02 . 2 . . . A 4 LYS HG3 . 25223 1
31 . 1 1 4 4 LYS HD2 H 1 1.633 0.02 . 2 . . . A 4 LYS HD2 . 25223 1
32 . 1 1 4 4 LYS HD3 H 1 1.589 0.02 . 2 . . . A 4 LYS HD3 . 25223 1
33 . 1 1 4 4 LYS HE2 H 1 3.006 0.02 . 2 . . . A 4 LYS HE2 . 25223 1
34 . 1 1 4 4 LYS HE3 H 1 2.926 0.02 . 2 . . . A 4 LYS HE3 . 25223 1
35 . 1 1 4 4 LYS C C 13 178.574 0.3 . 1 . . . A 4 LYS C . 25223 1
36 . 1 1 4 4 LYS CA C 13 57.727 0.3 . 1 . . . A 4 LYS CA . 25223 1
37 . 1 1 4 4 LYS CB C 13 31.173 0.3 . 1 . . . A 4 LYS CB . 25223 1
38 . 1 1 4 4 LYS CG C 13 25.984 0.3 . 1 . . . A 4 LYS CG . 25223 1
39 . 1 1 4 4 LYS CD C 13 28.714 0.3 . 1 . . . A 4 LYS CD . 25223 1
40 . 1 1 4 4 LYS CE C 13 42.368 0.3 . 1 . . . A 4 LYS CE . 25223 1
41 . 1 1 4 4 LYS N N 15 125.839 0.2 . 1 . . . A 4 LYS N . 25223 1
42 . 1 1 5 5 CYS H H 1 8.149 0.02 . 1 . . . A 5 CYS H . 25223 1
43 . 1 1 5 5 CYS HA H 1 3.823 0.02 . 1 . . . A 5 CYS HA . 25223 1
44 . 1 1 5 5 CYS HB2 H 1 3.615 0.02 . 2 . . . A 5 CYS HB2 . 25223 1
45 . 1 1 5 5 CYS HB3 H 1 3.159 0.02 . 2 . . . A 5 CYS HB3 . 25223 1
46 . 1 1 5 5 CYS C C 13 174.852 0.3 . 1 . . . A 5 CYS C . 25223 1
47 . 1 1 5 5 CYS CA C 13 57.783 0.3 . 1 . . . A 5 CYS CA . 25223 1
48 . 1 1 5 5 CYS CB C 13 42.891 0.3 . 1 . . . A 5 CYS CB . 25223 1
49 . 1 1 5 5 CYS N N 15 116.562 0.2 . 1 . . . A 5 CYS N . 25223 1
50 . 1 1 6 6 GLU H H 1 7.026 0.02 . 1 . . . A 6 GLU H . 25223 1
51 . 1 1 6 6 GLU HA H 1 3.955 0.02 . 1 . . . A 6 GLU HA . 25223 1
52 . 1 1 6 6 GLU HB2 H 1 1.976 0.02 . 2 . . . A 6 GLU HB2 . 25223 1
53 . 1 1 6 6 GLU HB3 H 1 1.931 0.02 . 2 . . . A 6 GLU HB3 . 25223 1
54 . 1 1 6 6 GLU HG2 H 1 2.218 0.02 . 1 . . . A 6 GLU HG2 . 25223 1
55 . 1 1 6 6 GLU HG3 H 1 2.218 0.02 . 1 . . . A 6 GLU HG3 . 25223 1
56 . 1 1 6 6 GLU C C 13 176.531 0.3 . 1 . . . A 6 GLU C . 25223 1
57 . 1 1 6 6 GLU CA C 13 58.245 0.3 . 1 . . . A 6 GLU CA . 25223 1
58 . 1 1 6 6 GLU CB C 13 29.230 0.3 . 1 . . . A 6 GLU CB . 25223 1
59 . 1 1 6 6 GLU CG C 13 35.814 0.3 . 1 . . . A 6 GLU CG . 25223 1
60 . 1 1 6 6 GLU N N 15 116.495 0.2 . 1 . . . A 6 GLU N . 25223 1
61 . 1 1 7 7 ASN H H 1 7.206 0.02 . 1 . . . A 7 ASN H . 25223 1
62 . 1 1 7 7 ASN HA H 1 4.873 0.02 . 1 . . . A 7 ASN HA . 25223 1
63 . 1 1 7 7 ASN HB2 H 1 2.837 0.02 . 2 . . . A 7 ASN HB2 . 25223 1
64 . 1 1 7 7 ASN HB3 H 1 2.670 0.02 . 2 . . . A 7 ASN HB3 . 25223 1
65 . 1 1 7 7 ASN HD21 H 1 6.831 0.02 . 1 . . . A 7 ASN HD21 . 25223 1
66 . 1 1 7 7 ASN HD22 H 1 6.831 0.02 . 1 . . . A 7 ASN HD22 . 25223 1
67 . 1 1 7 7 ASN C C 13 174.501 0.3 . 1 . . . A 7 ASN C . 25223 1
68 . 1 1 7 7 ASN CA C 13 52.694 0.3 . 1 . . . A 7 ASN CA . 25223 1
69 . 1 1 7 7 ASN CB C 13 39.710 0.3 . 1 . . . A 7 ASN CB . 25223 1
70 . 1 1 7 7 ASN N N 15 112.278 0.2 . 1 . . . A 7 ASN N . 25223 1
71 . 1 1 7 7 ASN ND2 N 15 112.278 0.2 . 1 . . . A 7 ASN ND2 . 25223 1
72 . 1 1 8 8 SER H H 1 7.020 0.02 . 1 . . . A 8 SER H . 25223 1
73 . 1 1 8 8 SER HA H 1 4.708 0.02 . 1 . . . A 8 SER HA . 25223 1
74 . 1 1 8 8 SER HB2 H 1 3.744 0.02 . 2 . . . A 8 SER HB2 . 25223 1
75 . 1 1 8 8 SER HB3 H 1 3.723 0.02 . 2 . . . A 8 SER HB3 . 25223 1
76 . 1 1 8 8 SER C C 13 173.275 0.3 . 1 . . . A 8 SER C . 25223 1
77 . 1 1 8 8 SER CA C 13 55.971 0.3 . 1 . . . A 8 SER CA . 25223 1
78 . 1 1 8 8 SER CB C 13 62.634 0.3 . 1 . . . A 8 SER CB . 25223 1
79 . 1 1 8 8 SER N N 15 113.437 0.2 . 1 . . . A 8 SER N . 25223 1
80 . 1 1 9 9 LEU H H 1 8.743 0.02 . 1 . . . A 9 LEU H . 25223 1
81 . 1 1 9 9 LEU HA H 1 4.316 0.02 . 1 . . . A 9 LEU HA . 25223 1
82 . 1 1 9 9 LEU HB2 H 1 1.675 0.02 . 1 . . . A 9 LEU HB2 . 25223 1
83 . 1 1 9 9 LEU HB3 H 1 1.631 0.02 . 1 . . . A 9 LEU HB3 . 25223 1
84 . 1 1 9 9 LEU HG H 1 1.656 0.02 . 1 . . . A 9 LEU HG . 25223 1
85 . 1 1 9 9 LEU HD11 H 1 0.965 0.02 . 1 . . . A 9 LEU HD11 . 25223 1
86 . 1 1 9 9 LEU HD12 H 1 0.965 0.02 . 1 . . . A 9 LEU HD12 . 25223 1
87 . 1 1 9 9 LEU HD13 H 1 0.965 0.02 . 1 . . . A 9 LEU HD13 . 25223 1
88 . 1 1 9 9 LEU HD21 H 1 0.912 0.02 . 1 . . . A 9 LEU HD21 . 25223 1
89 . 1 1 9 9 LEU HD22 H 1 0.912 0.02 . 1 . . . A 9 LEU HD22 . 25223 1
90 . 1 1 9 9 LEU HD23 H 1 0.912 0.02 . 1 . . . A 9 LEU HD23 . 25223 1
91 . 1 1 9 9 LEU C C 13 178.730 0.3 . 1 . . . A 9 LEU C . 25223 1
92 . 1 1 9 9 LEU CA C 13 57.664 0.3 . 1 . . . A 9 LEU CA . 25223 1
93 . 1 1 9 9 LEU CB C 13 41.852 0.3 . 1 . . . A 9 LEU CB . 25223 1
94 . 1 1 9 9 LEU CG C 13 27.076 0.3 . 1 . . . A 9 LEU CG . 25223 1
95 . 1 1 9 9 LEU CD1 C 13 23.760 0.3 . 1 . . . A 9 LEU CD1 . 25223 1
96 . 1 1 9 9 LEU CD2 C 13 24.875 0.3 . 1 . . . A 9 LEU CD2 . 25223 1
97 . 1 1 9 9 LEU N N 15 132.660 0.2 . 1 . . . A 9 LEU N . 25223 1
98 . 1 1 10 10 ARG H H 1 8.282 0.02 . 1 . . . A 10 ARG H . 25223 1
99 . 1 1 10 10 ARG HA H 1 3.979 0.02 . 1 . . . A 10 ARG HA . 25223 1
100 . 1 1 10 10 ARG HB2 H 1 1.831 0.02 . 1 . . . A 10 ARG HB2 . 25223 1
101 . 1 1 10 10 ARG HB3 H 1 1.743 0.02 . 1 . . . A 10 ARG HB3 . 25223 1
102 . 1 1 10 10 ARG HG2 H 1 1.755 0.02 . 1 . . . A 10 ARG HG2 . 25223 1
103 . 1 1 10 10 ARG HG3 H 1 1.755 0.02 . 1 . . . A 10 ARG HG3 . 25223 1
104 . 1 1 10 10 ARG HD2 H 1 3.245 0.02 . 1 . . . A 10 ARG HD2 . 25223 1
105 . 1 1 10 10 ARG HD3 H 1 3.245 0.02 . 1 . . . A 10 ARG HD3 . 25223 1
106 . 1 1 10 10 ARG C C 13 179.035 0.3 . 1 . . . A 10 ARG C . 25223 1
107 . 1 1 10 10 ARG CA C 13 59.280 0.3 . 1 . . . A 10 ARG CA . 25223 1
108 . 1 1 10 10 ARG CB C 13 29.806 0.3 . 1 . . . A 10 ARG CB . 25223 1
109 . 1 1 10 10 ARG CG C 13 27.494 0.3 . 1 . . . A 10 ARG CG . 25223 1
110 . 1 1 10 10 ARG CD C 13 43.460 0.3 . 1 . . . A 10 ARG CD . 25223 1
111 . 1 1 10 10 ARG N N 15 115.937 0.2 . 1 . . . A 10 ARG N . 25223 1
112 . 1 1 11 11 ARG H H 1 7.563 0.02 . 1 . . . A 11 ARG H . 25223 1
113 . 1 1 11 11 ARG HA H 1 3.841 0.02 . 1 . . . A 11 ARG HA . 25223 1
114 . 1 1 11 11 ARG HB2 H 1 1.746 0.02 . 2 . . . A 11 ARG HB2 . 25223 1
115 . 1 1 11 11 ARG HB3 H 1 1.254 0.02 . 2 . . . A 11 ARG HB3 . 25223 1
116 . 1 1 11 11 ARG HG2 H 1 1.194 0.02 . 1 . . . A 11 ARG HG2 . 25223 1
117 . 1 1 11 11 ARG HG3 H 1 0.448 0.02 . 1 . . . A 11 ARG HG3 . 25223 1
118 . 1 1 11 11 ARG HD2 H 1 2.135 0.02 . 2 . . . A 11 ARG HD2 . 25223 1
119 . 1 1 11 11 ARG HD3 H 1 2.025 0.02 . 2 . . . A 11 ARG HD3 . 25223 1
120 . 1 1 11 11 ARG C C 13 176.629 0.3 . 1 . . . A 11 ARG C . 25223 1
121 . 1 1 11 11 ARG CA C 13 58.604 0.3 . 1 . . . A 11 ARG CA . 25223 1
122 . 1 1 11 11 ARG CB C 13 30.014 0.3 . 1 . . . A 11 ARG CB . 25223 1
123 . 1 1 11 11 ARG CG C 13 26.519 0.3 . 1 . . . A 11 ARG CG . 25223 1
124 . 1 1 11 11 ARG CD C 13 43.470 0.3 . 1 . . . A 11 ARG CD . 25223 1
125 . 1 1 11 11 ARG N N 15 121.095 0.2 . 1 . . . A 11 ARG N . 25223 1
126 . 1 1 12 12 GLU H H 1 8.174 0.02 . 1 . . . A 12 GLU H . 25223 1
127 . 1 1 12 12 GLU HA H 1 4.248 0.02 . 1 . . . A 12 GLU HA . 25223 1
128 . 1 1 12 12 GLU HB2 H 1 2.501 0.02 . 1 . . . A 12 GLU HB2 . 25223 1
129 . 1 1 12 12 GLU HB3 H 1 2.422 0.02 . 1 . . . A 12 GLU HB3 . 25223 1
130 . 1 1 12 12 GLU HG2 H 1 2.524 0.02 . 1 . . . A 12 GLU HG2 . 25223 1
131 . 1 1 12 12 GLU HG3 H 1 2.524 0.02 . 1 . . . A 12 GLU HG3 . 25223 1
132 . 1 1 12 12 GLU C C 13 179.693 0.3 . 1 . . . A 12 GLU C . 25223 1
133 . 1 1 12 12 GLU CA C 13 60.391 0.3 . 1 . . . A 12 GLU CA . 25223 1
134 . 1 1 12 12 GLU CB C 13 29.069 0.3 . 1 . . . A 12 GLU CB . 25223 1
135 . 1 1 12 12 GLU CG C 13 34.722 0.3 . 1 . . . A 12 GLU CG . 25223 1
136 . 1 1 12 12 GLU N N 15 120.157 0.2 . 1 . . . A 12 GLU N . 25223 1
137 . 1 1 13 13 ILE H H 1 8.908 0.02 . 1 . . . A 13 ILE H . 25223 1
138 . 1 1 13 13 ILE HA H 1 3.801 0.02 . 1 . . . A 13 ILE HA . 25223 1
139 . 1 1 13 13 ILE HB H 1 1.880 0.02 . 1 . . . A 13 ILE HB . 25223 1
140 . 1 1 13 13 ILE HG12 H 1 1.815 0.02 . 1 . . . A 13 ILE HG12 . 25223 1
141 . 1 1 13 13 ILE HG13 H 1 1.249 0.02 . 1 . . . A 13 ILE HG13 . 25223 1
142 . 1 1 13 13 ILE HG21 H 1 0.931 0.02 . 1 . . . A 13 ILE HG21 . 25223 1
143 . 1 1 13 13 ILE HG22 H 1 0.931 0.02 . 1 . . . A 13 ILE HG22 . 25223 1
144 . 1 1 13 13 ILE HG23 H 1 0.931 0.02 . 1 . . . A 13 ILE HG23 . 25223 1
145 . 1 1 13 13 ILE HD11 H 1 0.844 0.02 . 1 . . . A 13 ILE HD11 . 25223 1
146 . 1 1 13 13 ILE HD12 H 1 0.844 0.02 . 1 . . . A 13 ILE HD12 . 25223 1
147 . 1 1 13 13 ILE HD13 H 1 0.844 0.02 . 1 . . . A 13 ILE HD13 . 25223 1
148 . 1 1 13 13 ILE C C 13 179.772 0.3 . 1 . . . A 13 ILE C . 25223 1
149 . 1 1 13 13 ILE CA C 13 64.674 0.3 . 1 . . . A 13 ILE CA . 25223 1
150 . 1 1 13 13 ILE CB C 13 38.131 0.3 . 1 . . . A 13 ILE CB . 25223 1
151 . 1 1 13 13 ILE CG1 C 13 29.249 0.3 . 1 . . . A 13 ILE CG1 . 25223 1
152 . 1 1 13 13 ILE CG2 C 13 16.710 0.3 . 1 . . . A 13 ILE CG2 . 25223 1
153 . 1 1 13 13 ILE CD1 C 13 12.865 0.3 . 1 . . . A 13 ILE CD1 . 25223 1
154 . 1 1 13 13 ILE N N 15 119.897 0.2 . 1 . . . A 13 ILE N . 25223 1
155 . 1 1 14 14 ALA H H 1 8.122 0.02 . 1 . . . A 14 ALA H . 25223 1
156 . 1 1 14 14 ALA HA H 1 4.293 0.02 . 1 . . . A 14 ALA HA . 25223 1
157 . 1 1 14 14 ALA HB1 H 1 1.699 0.02 . 1 . . . A 14 ALA HB1 . 25223 1
158 . 1 1 14 14 ALA HB2 H 1 1.699 0.02 . 1 . . . A 14 ALA HB2 . 25223 1
159 . 1 1 14 14 ALA HB3 H 1 1.699 0.02 . 1 . . . A 14 ALA HB3 . 25223 1
160 . 1 1 14 14 ALA C C 13 179.539 0.3 . 1 . . . A 14 ALA C . 25223 1
161 . 1 1 14 14 ALA CA C 13 55.440 0.3 . 1 . . . A 14 ALA CA . 25223 1
162 . 1 1 14 14 ALA CB C 13 18.377 0.3 . 1 . . . A 14 ALA CB . 25223 1
163 . 1 1 14 14 ALA N N 15 123.226 0.2 . 1 . . . A 14 ALA N . 25223 1
164 . 1 1 15 15 CYS H H 1 9.192 0.02 . 1 . . . A 15 CYS H . 25223 1
165 . 1 1 15 15 CYS HA H 1 5.108 0.02 . 1 . . . A 15 CYS HA . 25223 1
166 . 1 1 15 15 CYS HB2 H 1 3.017 0.02 . 2 . . . A 15 CYS HB2 . 25223 1
167 . 1 1 15 15 CYS HB3 H 1 2.835 0.02 . 2 . . . A 15 CYS HB3 . 25223 1
168 . 1 1 15 15 CYS C C 13 178.562 0.3 . 1 . . . A 15 CYS C . 25223 1
169 . 1 1 15 15 CYS CA C 13 57.324 0.3 . 1 . . . A 15 CYS CA . 25223 1
170 . 1 1 15 15 CYS CB C 13 36.845 0.3 . 1 . . . A 15 CYS CB . 25223 1
171 . 1 1 15 15 CYS N N 15 114.231 0.2 . 1 . . . A 15 CYS N . 25223 1
172 . 1 1 16 16 GLY H H 1 8.627 0.02 . 1 . . . A 16 GLY H . 25223 1
173 . 1 1 16 16 GLY HA2 H 1 4.155 0.02 . 1 . . . A 16 GLY HA2 . 25223 1
174 . 1 1 16 16 GLY HA3 H 1 3.868 0.02 . 1 . . . A 16 GLY HA3 . 25223 1
175 . 1 1 16 16 GLY C C 13 175.279 0.3 . 1 . . . A 16 GLY C . 25223 1
176 . 1 1 16 16 GLY CA C 13 47.312 0.3 . 1 . . . A 16 GLY CA . 25223 1
177 . 1 1 16 16 GLY N N 15 110.380 0.2 . 1 . . . A 16 GLY N . 25223 1
178 . 1 1 17 17 GLN H H 1 8.108 0.02 . 1 . . . A 17 GLN H . 25223 1
179 . 1 1 17 17 GLN HA H 1 4.221 0.02 . 1 . . . A 17 GLN HA . 25223 1
180 . 1 1 17 17 GLN HB2 H 1 2.581 0.02 . 1 . . . A 17 GLN HB2 . 25223 1
181 . 1 1 17 17 GLN HB3 H 1 2.003 0.02 . 1 . . . A 17 GLN HB3 . 25223 1
182 . 1 1 17 17 GLN HG2 H 1 2.660 0.02 . 2 . . . A 17 GLN HG2 . 25223 1
183 . 1 1 17 17 GLN HG3 H 1 2.429 0.02 . 2 . . . A 17 GLN HG3 . 25223 1
184 . 1 1 17 17 GLN HE21 H 1 7.258 0.02 . 2 . . . A 17 GLN HE21 . 25223 1
185 . 1 1 17 17 GLN HE22 H 1 6.732 0.02 . 2 . . . A 17 GLN HE22 . 25223 1
186 . 1 1 17 17 GLN C C 13 181.015 0.3 . 1 . . . A 17 GLN C . 25223 1
187 . 1 1 17 17 GLN CA C 13 59.205 0.3 . 1 . . . A 17 GLN CA . 25223 1
188 . 1 1 17 17 GLN CB C 13 29.241 0.3 . 1 . . . A 17 GLN CB . 25223 1
189 . 1 1 17 17 GLN CG C 13 34.776 0.3 . 1 . . . A 17 GLN CG . 25223 1
190 . 1 1 17 17 GLN N N 15 122.345 0.2 . 1 . . . A 17 GLN N . 25223 1
191 . 1 1 17 17 GLN NE2 N 15 110.078 0.2 . 1 . . . A 17 GLN NE2 . 25223 1
192 . 1 1 18 18 CYS H H 1 9.342 0.02 . 1 . . . A 18 CYS H . 25223 1
193 . 1 1 18 18 CYS HA H 1 3.693 0.02 . 1 . . . A 18 CYS HA . 25223 1
194 . 1 1 18 18 CYS HB2 H 1 4.056 0.02 . 1 . . . A 18 CYS HB2 . 25223 1
195 . 1 1 18 18 CYS HB3 H 1 3.293 0.02 . 1 . . . A 18 CYS HB3 . 25223 1
196 . 1 1 18 18 CYS C C 13 175.945 0.3 . 1 . . . A 18 CYS C . 25223 1
197 . 1 1 18 18 CYS CA C 13 59.727 0.3 . 1 . . . A 18 CYS CA . 25223 1
198 . 1 1 18 18 CYS CB C 13 44.857 0.3 . 1 . . . A 18 CYS CB . 25223 1
199 . 1 1 18 18 CYS N N 15 119.568 0.2 . 1 . . . A 18 CYS N . 25223 1
200 . 1 1 19 19 ARG H H 1 8.858 0.02 . 1 . . . A 19 ARG H . 25223 1
201 . 1 1 19 19 ARG HA H 1 3.828 0.02 . 1 . . . A 19 ARG HA . 25223 1
202 . 1 1 19 19 ARG HB2 H 1 2.545 0.02 . 1 . . . A 19 ARG HB2 . 25223 1
203 . 1 1 19 19 ARG HB3 H 1 2.218 0.02 . 1 . . . A 19 ARG HB3 . 25223 1
204 . 1 1 19 19 ARG HG2 H 1 2.224 0.02 . 2 . . . A 19 ARG HG2 . 25223 1
205 . 1 1 19 19 ARG HG3 H 1 1.664 0.02 . 2 . . . A 19 ARG HG3 . 25223 1
206 . 1 1 19 19 ARG HD2 H 1 3.286 0.02 . 2 . . . A 19 ARG HD2 . 25223 1
207 . 1 1 19 19 ARG HD3 H 1 3.040 0.02 . 2 . . . A 19 ARG HD3 . 25223 1
208 . 1 1 19 19 ARG C C 13 177.747 0.3 . 1 . . . A 19 ARG C . 25223 1
209 . 1 1 19 19 ARG CA C 13 59.822 0.3 . 1 . . . A 19 ARG CA . 25223 1
210 . 1 1 19 19 ARG CB C 13 29.109 0.3 . 1 . . . A 19 ARG CB . 25223 1
211 . 1 1 19 19 ARG CG C 13 25.437 0.3 . 1 . . . A 19 ARG CG . 25223 1
212 . 1 1 19 19 ARG CD C 13 43.399 0.3 . 1 . . . A 19 ARG CD . 25223 1
213 . 1 1 19 19 ARG N N 15 122.814 0.2 . 1 . . . A 19 ARG N . 25223 1
214 . 1 1 20 20 ASP H H 1 7.545 0.02 . 1 . . . A 20 ASP H . 25223 1
215 . 1 1 20 20 ASP HA H 1 4.454 0.02 . 1 . . . A 20 ASP HA . 25223 1
216 . 1 1 20 20 ASP HB2 H 1 2.772 0.02 . 1 . . . A 20 ASP HB2 . 25223 1
217 . 1 1 20 20 ASP HB3 H 1 2.772 0.02 . 1 . . . A 20 ASP HB3 . 25223 1
218 . 1 1 20 20 ASP C C 13 176.628 0.3 . 1 . . . A 20 ASP C . 25223 1
219 . 1 1 20 20 ASP CA C 13 56.386 0.3 . 1 . . . A 20 ASP CA . 25223 1
220 . 1 1 20 20 ASP CB C 13 40.094 0.3 . 1 . . . A 20 ASP CB . 25223 1
221 . 1 1 20 20 ASP N N 15 117.500 0.2 . 1 . . . A 20 ASP N . 25223 1
222 . 1 1 21 21 LYS H H 1 7.370 0.02 . 1 . . . A 21 LYS H . 25223 1
223 . 1 1 21 21 LYS HA H 1 4.277 0.02 . 1 . . . A 21 LYS HA . 25223 1
224 . 1 1 21 21 LYS HB2 H 1 1.895 0.02 . 1 . . . A 21 LYS HB2 . 25223 1
225 . 1 1 21 21 LYS HB3 H 1 1.780 0.02 . 1 . . . A 21 LYS HB3 . 25223 1
226 . 1 1 21 21 LYS HG2 H 1 1.527 0.02 . 2 . . . A 21 LYS HG2 . 25223 1
227 . 1 1 21 21 LYS HG3 H 1 1.435 0.02 . 2 . . . A 21 LYS HG3 . 25223 1
228 . 1 1 21 21 LYS HD2 H 1 1.501 0.02 . 1 . . . A 21 LYS HD2 . 25223 1
229 . 1 1 21 21 LYS HD3 H 1 1.501 0.02 . 1 . . . A 21 LYS HD3 . 25223 1
230 . 1 1 21 21 LYS HE2 H 1 2.888 0.02 . 1 . . . A 21 LYS HE2 . 25223 1
231 . 1 1 21 21 LYS HE3 H 1 2.888 0.02 . 1 . . . A 21 LYS HE3 . 25223 1
232 . 1 1 21 21 LYS C C 13 177.584 0.3 . 1 . . . A 21 LYS C . 25223 1
233 . 1 1 21 21 LYS CA C 13 57.941 0.3 . 1 . . . A 21 LYS CA . 25223 1
234 . 1 1 21 21 LYS CB C 13 33.970 0.3 . 1 . . . A 21 LYS CB . 25223 1
235 . 1 1 21 21 LYS CG C 13 24.891 0.3 . 1 . . . A 21 LYS CG . 25223 1
236 . 1 1 21 21 LYS CD C 13 29.260 0.3 . 1 . . . A 21 LYS CD . 25223 1
237 . 1 1 21 21 LYS CE C 13 41.999 0.3 . 1 . . . A 21 LYS CE . 25223 1
238 . 1 1 21 21 LYS N N 15 117.972 0.2 . 1 . . . A 21 LYS N . 25223 1
239 . 1 1 22 22 VAL H H 1 8.127 0.02 . 1 . . . A 22 VAL H . 25223 1
240 . 1 1 22 22 VAL HA H 1 3.772 0.02 . 1 . . . A 22 VAL HA . 25223 1
241 . 1 1 22 22 VAL HB H 1 1.331 0.02 . 1 . . . A 22 VAL HB . 25223 1
242 . 1 1 22 22 VAL HG11 H 1 0.767 0.02 . 1 . . . A 22 VAL HG11 . 25223 1
243 . 1 1 22 22 VAL HG12 H 1 0.767 0.02 . 1 . . . A 22 VAL HG12 . 25223 1
244 . 1 1 22 22 VAL HG13 H 1 0.767 0.02 . 1 . . . A 22 VAL HG13 . 25223 1
245 . 1 1 22 22 VAL HG21 H 1 0.483 0.02 . 1 . . . A 22 VAL HG21 . 25223 1
246 . 1 1 22 22 VAL HG22 H 1 0.483 0.02 . 1 . . . A 22 VAL HG22 . 25223 1
247 . 1 1 22 22 VAL HG23 H 1 0.483 0.02 . 1 . . . A 22 VAL HG23 . 25223 1
248 . 1 1 22 22 VAL C C 13 177.384 0.3 . 1 . . . A 22 VAL C . 25223 1
249 . 1 1 22 22 VAL CA C 13 64.502 0.3 . 1 . . . A 22 VAL CA . 25223 1
250 . 1 1 22 22 VAL CB C 13 32.636 0.3 . 1 . . . A 22 VAL CB . 25223 1
251 . 1 1 22 22 VAL CG1 C 13 21.587 0.3 . 1 . . . A 22 VAL CG1 . 25223 1
252 . 1 1 22 22 VAL CG2 C 13 20.556 0.3 . 1 . . . A 22 VAL CG2 . 25223 1
253 . 1 1 22 22 VAL N N 15 118.596 0.2 . 1 . . . A 22 VAL N . 25223 1
254 . 1 1 23 23 LYS H H 1 8.205 0.02 . 1 . . . A 23 LYS H . 25223 1
255 . 1 1 23 23 LYS HA H 1 4.025 0.02 . 1 . . . A 23 LYS HA . 25223 1
256 . 1 1 23 23 LYS HB2 H 1 1.914 0.02 . 1 . . . A 23 LYS HB2 . 25223 1
257 . 1 1 23 23 LYS HB3 H 1 1.914 0.02 . 1 . . . A 23 LYS HB3 . 25223 1
258 . 1 1 23 23 LYS HG2 H 1 1.312 0.02 . 2 . . . A 23 LYS HG2 . 25223 1
259 . 1 1 23 23 LYS HG3 H 1 1.149 0.02 . 2 . . . A 23 LYS HG3 . 25223 1
260 . 1 1 23 23 LYS HD2 H 1 1.687 0.02 . 2 . . . A 23 LYS HD2 . 25223 1
261 . 1 1 23 23 LYS HD3 H 1 1.607 0.02 . 2 . . . A 23 LYS HD3 . 25223 1
262 . 1 1 23 23 LYS HE2 H 1 2.995 0.02 . 1 . . . A 23 LYS HE2 . 25223 1
263 . 1 1 23 23 LYS HE3 H 1 2.995 0.02 . 1 . . . A 23 LYS HE3 . 25223 1
264 . 1 1 23 23 LYS C C 13 176.138 0.3 . 1 . . . A 23 LYS C . 25223 1
265 . 1 1 23 23 LYS CA C 13 57.815 0.3 . 1 . . . A 23 LYS CA . 25223 1
266 . 1 1 23 23 LYS CB C 13 30.359 0.3 . 1 . . . A 23 LYS CB . 25223 1
267 . 1 1 23 23 LYS CG C 13 25.237 0.3 . 1 . . . A 23 LYS CG . 25223 1
268 . 1 1 23 23 LYS CD C 13 29.263 0.3 . 1 . . . A 23 LYS CD . 25223 1
269 . 1 1 23 23 LYS CE C 13 41.822 0.3 . 1 . . . A 23 LYS CE . 25223 1
270 . 1 1 23 23 LYS N N 15 114.369 0.2 . 1 . . . A 23 LYS N . 25223 1
271 . 1 1 24 24 THR H H 1 7.330 0.02 . 1 . . . A 24 THR H . 25223 1
272 . 1 1 24 24 THR HA H 1 4.463 0.02 . 1 . . . A 24 THR HA . 25223 1
273 . 1 1 24 24 THR HB H 1 4.199 0.02 . 1 . . . A 24 THR HB . 25223 1
274 . 1 1 24 24 THR HG21 H 1 1.267 0.02 . 1 . . . A 24 THR HG21 . 25223 1
275 . 1 1 24 24 THR HG22 H 1 1.267 0.02 . 1 . . . A 24 THR HG22 . 25223 1
276 . 1 1 24 24 THR HG23 H 1 1.267 0.02 . 1 . . . A 24 THR HG23 . 25223 1
277 . 1 1 24 24 THR C C 13 175.448 0.3 . 1 . . . A 24 THR C . 25223 1
278 . 1 1 24 24 THR CA C 13 60.943 0.3 . 1 . . . A 24 THR CA . 25223 1
279 . 1 1 24 24 THR CB C 13 70.747 0.3 . 1 . . . A 24 THR CB . 25223 1
280 . 1 1 24 24 THR CG2 C 13 22.116 0.3 . 1 . . . A 24 THR CG2 . 25223 1
281 . 1 1 24 24 THR N N 15 111.092 0.2 . 1 . . . A 24 THR N . 25223 1
282 . 1 1 25 25 ASP H H 1 8.980 0.02 . 1 . . . A 25 ASP H . 25223 1
283 . 1 1 25 25 ASP HA H 1 4.475 0.02 . 1 . . . A 25 ASP HA . 25223 1
284 . 1 1 25 25 ASP HB2 H 1 2.687 0.02 . 2 . . . A 25 ASP HB2 . 25223 1
285 . 1 1 25 25 ASP HB3 H 1 2.665 0.02 . 2 . . . A 25 ASP HB3 . 25223 1
286 . 1 1 25 25 ASP C C 13 178.051 0.3 . 1 . . . A 25 ASP C . 25223 1
287 . 1 1 25 25 ASP CA C 13 56.483 0.3 . 1 . . . A 25 ASP CA . 25223 1
288 . 1 1 25 25 ASP CB C 13 40.622 0.3 . 1 . . . A 25 ASP CB . 25223 1
289 . 1 1 25 25 ASP N N 15 126.059 0.2 . 1 . . . A 25 ASP N . 25223 1
290 . 1 1 26 26 GLY H H 1 9.012 0.02 . 1 . . . A 26 GLY H . 25223 1
291 . 1 1 26 26 GLY HA2 H 1 4.192 0.02 . 2 . . . A 26 GLY HA2 . 25223 1
292 . 1 1 26 26 GLY HA3 H 1 4.024 0.02 . 2 . . . A 26 GLY HA3 . 25223 1
293 . 1 1 26 26 GLY C C 13 175.163 0.3 . 1 . . . A 26 GLY C . 25223 1
294 . 1 1 26 26 GLY CA C 13 45.657 0.3 . 1 . . . A 26 GLY CA . 25223 1
295 . 1 1 26 26 GLY N N 15 112.306 0.2 . 1 . . . A 26 GLY N . 25223 1
296 . 1 1 27 27 TYR H H 1 7.732 0.02 . 1 . . . A 27 TYR H . 25223 1
297 . 1 1 27 27 TYR HA H 1 3.849 0.02 . 1 . . . A 27 TYR HA . 25223 1
298 . 1 1 27 27 TYR HB2 H 1 3.332 0.02 . 1 . . . A 27 TYR HB2 . 25223 1
299 . 1 1 27 27 TYR HB3 H 1 2.771 0.02 . 1 . . . A 27 TYR HB3 . 25223 1
300 . 1 1 27 27 TYR HD1 H 1 6.814 0.02 . 1 . . . A 27 TYR HD1 . 25223 1
301 . 1 1 27 27 TYR HD2 H 1 6.814 0.02 . 1 . . . A 27 TYR HD2 . 25223 1
302 . 1 1 27 27 TYR HE1 H 1 6.793 0.02 . 1 . . . A 27 TYR HE1 . 25223 1
303 . 1 1 27 27 TYR HE2 H 1 6.793 0.02 . 1 . . . A 27 TYR HE2 . 25223 1
304 . 1 1 27 27 TYR C C 13 176.802 0.3 . 1 . . . A 27 TYR C . 25223 1
305 . 1 1 27 27 TYR CA C 13 63.105 0.3 . 1 . . . A 27 TYR CA . 25223 1
306 . 1 1 27 27 TYR CB C 13 39.368 0.3 . 1 . . . A 27 TYR CB . 25223 1
307 . 1 1 27 27 TYR CD1 C 13 132.577 0.3 . 1 . . . A 27 TYR CD1 . 25223 1
308 . 1 1 27 27 TYR CE1 C 13 117.492 0.3 . 1 . . . A 27 TYR CE1 . 25223 1
309 . 1 1 27 27 TYR N N 15 121.095 0.2 . 1 . . . A 27 TYR N . 25223 1
310 . 1 1 28 28 PHE H H 1 9.213 0.02 . 1 . . . A 28 PHE H . 25223 1
311 . 1 1 28 28 PHE HA H 1 3.923 0.02 . 1 . . . A 28 PHE HA . 25223 1
312 . 1 1 28 28 PHE HB2 H 1 3.125 0.02 . 1 . . . A 28 PHE HB2 . 25223 1
313 . 1 1 28 28 PHE HB3 H 1 3.125 0.02 . 1 . . . A 28 PHE HB3 . 25223 1
314 . 1 1 28 28 PHE HD1 H 1 7.050 0.02 . 1 . . . A 28 PHE HD1 . 25223 1
315 . 1 1 28 28 PHE HD2 H 1 7.050 0.02 . 1 . . . A 28 PHE HD2 . 25223 1
316 . 1 1 28 28 PHE HE1 H 1 7.437 0.02 . 1 . . . A 28 PHE HE1 . 25223 1
317 . 1 1 28 28 PHE HE2 H 1 7.437 0.02 . 1 . . . A 28 PHE HE2 . 25223 1
318 . 1 1 28 28 PHE HZ H 1 7.347 0.02 . 1 . . . A 28 PHE HZ . 25223 1
319 . 1 1 28 28 PHE C C 13 176.222 0.3 . 1 . . . A 28 PHE C . 25223 1
320 . 1 1 28 28 PHE CA C 13 62.928 0.3 . 1 . . . A 28 PHE CA . 25223 1
321 . 1 1 28 28 PHE CB C 13 39.621 0.3 . 1 . . . A 28 PHE CB . 25223 1
322 . 1 1 28 28 PHE CD1 C 13 131.264 0.3 . 1 . . . A 28 PHE CD1 . 25223 1
323 . 1 1 28 28 PHE CE1 C 13 132.032 0.3 . 1 . . . A 28 PHE CE1 . 25223 1
324 . 1 1 28 28 PHE CZ C 13 130.607 0.3 . 1 . . . A 28 PHE CZ . 25223 1
325 . 1 1 28 28 PHE N N 15 118.990 0.2 . 1 . . . A 28 PHE N . 25223 1
326 . 1 1 29 29 TYR H H 1 8.343 0.02 . 1 . . . A 29 TYR H . 25223 1
327 . 1 1 29 29 TYR HA H 1 3.734 0.02 . 1 . . . A 29 TYR HA . 25223 1
328 . 1 1 29 29 TYR HB2 H 1 3.146 0.02 . 2 . . . A 29 TYR HB2 . 25223 1
329 . 1 1 29 29 TYR HB3 H 1 2.861 0.02 . 2 . . . A 29 TYR HB3 . 25223 1
330 . 1 1 29 29 TYR HD1 H 1 7.023 0.02 . 1 . . . A 29 TYR HD1 . 25223 1
331 . 1 1 29 29 TYR HD2 H 1 7.023 0.02 . 1 . . . A 29 TYR HD2 . 25223 1
332 . 1 1 29 29 TYR HE1 H 1 6.740 0.02 . 1 . . . A 29 TYR HE1 . 25223 1
333 . 1 1 29 29 TYR HE2 H 1 6.740 0.02 . 1 . . . A 29 TYR HE2 . 25223 1
334 . 1 1 29 29 TYR C C 13 178.572 0.3 . 1 . . . A 29 TYR C . 25223 1
335 . 1 1 29 29 TYR CA C 13 61.997 0.3 . 1 . . . A 29 TYR CA . 25223 1
336 . 1 1 29 29 TYR CB C 13 38.055 0.3 . 1 . . . A 29 TYR CB . 25223 1
337 . 1 1 29 29 TYR CD1 C 13 132.764 0.3 . 1 . . . A 29 TYR CD1 . 25223 1
338 . 1 1 29 29 TYR CE1 C 13 118.230 0.3 . 1 . . . A 29 TYR CE1 . 25223 1
339 . 1 1 29 29 TYR N N 15 117.813 0.2 . 1 . . . A 29 TYR N . 25223 1
340 . 1 1 30 30 GLU H H 1 7.701 0.02 . 1 . . . A 30 GLU H . 25223 1
341 . 1 1 30 30 GLU HA H 1 3.595 0.02 . 1 . . . A 30 GLU HA . 25223 1
342 . 1 1 30 30 GLU HB2 H 1 2.021 0.02 . 2 . . . A 30 GLU HB2 . 25223 1
343 . 1 1 30 30 GLU HB3 H 1 1.906 0.02 . 2 . . . A 30 GLU HB3 . 25223 1
344 . 1 1 30 30 GLU HG2 H 1 2.344 0.02 . 2 . . . A 30 GLU HG2 . 25223 1
345 . 1 1 30 30 GLU HG3 H 1 2.147 0.02 . 2 . . . A 30 GLU HG3 . 25223 1
346 . 1 1 30 30 GLU C C 13 177.808 0.3 . 1 . . . A 30 GLU C . 25223 1
347 . 1 1 30 30 GLU CA C 13 59.663 0.3 . 1 . . . A 30 GLU CA . 25223 1
348 . 1 1 30 30 GLU CB C 13 29.118 0.3 . 1 . . . A 30 GLU CB . 25223 1
349 . 1 1 30 30 GLU CG C 13 35.775 0.3 . 1 . . . A 30 GLU CG . 25223 1
350 . 1 1 30 30 GLU N N 15 120.626 0.2 . 1 . . . A 30 GLU N . 25223 1
351 . 1 1 31 31 CYS H H 1 8.839 0.02 . 1 . . . A 31 CYS H . 25223 1
352 . 1 1 31 31 CYS HA H 1 3.661 0.02 . 1 . . . A 31 CYS HA . 25223 1
353 . 1 1 31 31 CYS HB2 H 1 3.012 0.02 . 2 . . . A 31 CYS HB2 . 25223 1
354 . 1 1 31 31 CYS HB3 H 1 2.359 0.02 . 2 . . . A 31 CYS HB3 . 25223 1
355 . 1 1 31 31 CYS C C 13 176.742 0.3 . 1 . . . A 31 CYS C . 25223 1
356 . 1 1 31 31 CYS CA C 13 60.380 0.3 . 1 . . . A 31 CYS CA . 25223 1
357 . 1 1 31 31 CYS CB C 13 36.604 0.3 . 1 . . . A 31 CYS CB . 25223 1
358 . 1 1 31 31 CYS N N 15 120.469 0.2 . 1 . . . A 31 CYS N . 25223 1
359 . 1 1 32 32 CYS H H 1 8.094 0.02 . 1 . . . A 32 CYS H . 25223 1
360 . 1 1 32 32 CYS HA H 1 3.903 0.02 . 1 . . . A 32 CYS HA . 25223 1
361 . 1 1 32 32 CYS HB2 H 1 3.004 0.02 . 1 . . . A 32 CYS HB2 . 25223 1
362 . 1 1 32 32 CYS HB3 H 1 2.535 0.02 . 1 . . . A 32 CYS HB3 . 25223 1
363 . 1 1 32 32 CYS C C 13 173.755 0.3 . 1 . . . A 32 CYS C . 25223 1
364 . 1 1 32 32 CYS CA C 13 56.969 0.3 . 1 . . . A 32 CYS CA . 25223 1
365 . 1 1 32 32 CYS CB C 13 40.519 0.3 . 1 . . . A 32 CYS CB . 25223 1
366 . 1 1 32 32 CYS N N 15 117.537 0.2 . 1 . . . A 32 CYS N . 25223 1
367 . 1 1 33 33 THR H H 1 7.244 0.02 . 1 . . . A 33 THR H . 25223 1
368 . 1 1 33 33 THR HA H 1 4.581 0.02 . 1 . . . A 33 THR HA . 25223 1
369 . 1 1 33 33 THR HB H 1 3.811 0.02 . 1 . . . A 33 THR HB . 25223 1
370 . 1 1 33 33 THR HG21 H 1 0.562 0.02 . 1 . . . A 33 THR HG21 . 25223 1
371 . 1 1 33 33 THR HG22 H 1 0.562 0.02 . 1 . . . A 33 THR HG22 . 25223 1
372 . 1 1 33 33 THR HG23 H 1 0.562 0.02 . 1 . . . A 33 THR HG23 . 25223 1
373 . 1 1 33 33 THR C C 13 174.891 0.3 . 1 . . . A 33 THR C . 25223 1
374 . 1 1 33 33 THR CA C 13 61.790 0.3 . 1 . . . A 33 THR CA . 25223 1
375 . 1 1 33 33 THR CB C 13 71.261 0.3 . 1 . . . A 33 THR CB . 25223 1
376 . 1 1 33 33 THR CG2 C 13 20.528 0.3 . 1 . . . A 33 THR CG2 . 25223 1
377 . 1 1 33 33 THR N N 15 106.873 0.2 . 1 . . . A 33 THR N . 25223 1
378 . 1 1 34 34 SER H H 1 8.563 0.02 . 1 . . . A 34 SER H . 25223 1
379 . 1 1 34 34 SER HA H 1 4.861 0.02 . 1 . . . A 34 SER HA . 25223 1
380 . 1 1 34 34 SER HB2 H 1 4.032 0.02 . 2 . . . A 34 SER HB2 . 25223 1
381 . 1 1 34 34 SER HB3 H 1 3.837 0.02 . 2 . . . A 34 SER HB3 . 25223 1
382 . 1 1 34 34 SER CA C 13 55.656 0.3 . 1 . . . A 34 SER CA . 25223 1
383 . 1 1 34 34 SER CB C 13 62.685 0.3 . 1 . . . A 34 SER CB . 25223 1
384 . 1 1 34 34 SER N N 15 118.412 0.2 . 1 . . . A 34 SER N . 25223 1
385 . 1 1 35 35 ASP H H 1 9.474 0.02 . 1 . . . A 35 ASP H . 25223 1
386 . 1 1 35 35 ASP HA H 1 4.522 0.02 . 1 . . . A 35 ASP HA . 25223 1
387 . 1 1 35 35 ASP HB2 H 1 2.828 0.02 . 2 . . . A 35 ASP HB2 . 25223 1
388 . 1 1 35 35 ASP HB3 H 1 2.732 0.02 . 2 . . . A 35 ASP HB3 . 25223 1
389 . 1 1 35 35 ASP C C 13 178.445 0.3 . 1 . . . A 35 ASP C . 25223 1
390 . 1 1 35 35 ASP CA C 13 57.758 0.3 . 1 . . . A 35 ASP CA . 25223 1
391 . 1 1 35 35 ASP CB C 13 39.117 0.3 . 1 . . . A 35 ASP CB . 25223 1
392 . 1 1 35 35 ASP N N 15 132.577 0.2 . 1 . . . A 35 ASP N . 25223 1
393 . 1 1 36 36 SER H H 1 8.479 0.02 . 1 . . . A 36 SER H . 25223 1
394 . 1 1 36 36 SER HA H 1 4.269 0.02 . 1 . . . A 36 SER HA . 25223 1
395 . 1 1 36 36 SER HB2 H 1 3.886 0.02 . 2 . . . A 36 SER HB2 . 25223 1
396 . 1 1 36 36 SER HB3 H 1 3.843 0.02 . 2 . . . A 36 SER HB3 . 25223 1
397 . 1 1 36 36 SER C C 13 177.591 0.3 . 1 . . . A 36 SER C . 25223 1
398 . 1 1 36 36 SER CA C 13 61.410 0.3 . 1 . . . A 36 SER CA . 25223 1
399 . 1 1 36 36 SER CB C 13 62.071 0.3 . 1 . . . A 36 SER CB . 25223 1
400 . 1 1 36 36 SER N N 15 117.257 0.2 . 1 . . . A 36 SER N . 25223 1
401 . 1 1 37 37 THR H H 1 7.760 0.02 . 1 . . . A 37 THR H . 25223 1
402 . 1 1 37 37 THR HA H 1 3.930 0.02 . 1 . . . A 37 THR HA . 25223 1
403 . 1 1 37 37 THR HB H 1 4.061 0.02 . 1 . . . A 37 THR HB . 25223 1
404 . 1 1 37 37 THR HG21 H 1 0.950 0.02 . 1 . . . A 37 THR HG21 . 25223 1
405 . 1 1 37 37 THR HG22 H 1 0.950 0.02 . 1 . . . A 37 THR HG22 . 25223 1
406 . 1 1 37 37 THR HG23 H 1 0.950 0.02 . 1 . . . A 37 THR HG23 . 25223 1
407 . 1 1 37 37 THR C C 13 176.492 0.3 . 1 . . . A 37 THR C . 25223 1
408 . 1 1 37 37 THR CA C 13 67.213 0.3 . 1 . . . A 37 THR CA . 25223 1
409 . 1 1 37 37 THR CB C 13 68.042 0.3 . 1 . . . A 37 THR CB . 25223 1
410 . 1 1 37 37 THR CG2 C 13 21.614 0.3 . 1 . . . A 37 THR CG2 . 25223 1
411 . 1 1 37 37 THR N N 15 121.630 0.2 . 1 . . . A 37 THR N . 25223 1
412 . 1 1 38 38 PHE H H 1 8.501 0.02 . 1 . . . A 38 PHE H . 25223 1
413 . 1 1 38 38 PHE HA H 1 4.670 0.02 . 1 . . . A 38 PHE HA . 25223 1
414 . 1 1 38 38 PHE HB2 H 1 3.822 0.02 . 2 . . . A 38 PHE HB2 . 25223 1
415 . 1 1 38 38 PHE HB3 H 1 2.938 0.02 . 2 . . . A 38 PHE HB3 . 25223 1
416 . 1 1 38 38 PHE HD1 H 1 7.155 0.02 . 1 . . . A 38 PHE HD1 . 25223 1
417 . 1 1 38 38 PHE HD2 H 1 7.155 0.02 . 1 . . . A 38 PHE HD2 . 25223 1
418 . 1 1 38 38 PHE HE1 H 1 7.193 0.02 . 1 . . . A 38 PHE HE1 . 25223 1
419 . 1 1 38 38 PHE HE2 H 1 7.193 0.02 . 1 . . . A 38 PHE HE2 . 25223 1
420 . 1 1 38 38 PHE HZ H 1 7.029 0.02 . 1 . . . A 38 PHE HZ . 25223 1
421 . 1 1 38 38 PHE C C 13 176.883 0.3 . 1 . . . A 38 PHE C . 25223 1
422 . 1 1 38 38 PHE CA C 13 60.202 0.3 . 1 . . . A 38 PHE CA . 25223 1
423 . 1 1 38 38 PHE CB C 13 38.618 0.3 . 1 . . . A 38 PHE CB . 25223 1
424 . 1 1 38 38 PHE CD1 C 13 131.878 0.3 . 1 . . . A 38 PHE CD1 . 25223 1
425 . 1 1 38 38 PHE CE1 C 13 131.878 0.3 . 1 . . . A 38 PHE CE1 . 25223 1
426 . 1 1 38 38 PHE CZ C 13 129.346 0.3 . 1 . . . A 38 PHE CZ . 25223 1
427 . 1 1 38 38 PHE N N 15 122.970 0.2 . 1 . . . A 38 PHE N . 25223 1
428 . 1 1 39 39 LYS H H 1 8.253 0.02 . 1 . . . A 39 LYS H . 25223 1
429 . 1 1 39 39 LYS HA H 1 3.781 0.02 . 1 . . . A 39 LYS HA . 25223 1
430 . 1 1 39 39 LYS HB2 H 1 1.914 0.02 . 1 . . . A 39 LYS HB2 . 25223 1
431 . 1 1 39 39 LYS HB3 H 1 1.914 0.02 . 1 . . . A 39 LYS HB3 . 25223 1
432 . 1 1 39 39 LYS HG2 H 1 1.452 0.02 . 2 . . . A 39 LYS HG2 . 25223 1
433 . 1 1 39 39 LYS HG3 H 1 1.396 0.02 . 2 . . . A 39 LYS HG3 . 25223 1
434 . 1 1 39 39 LYS HD2 H 1 1.911 0.02 . 1 . . . A 39 LYS HD2 . 25223 1
435 . 1 1 39 39 LYS HD3 H 1 1.911 0.02 . 1 . . . A 39 LYS HD3 . 25223 1
436 . 1 1 39 39 LYS HE2 H 1 2.967 0.02 . 1 . . . A 39 LYS HE2 . 25223 1
437 . 1 1 39 39 LYS HE3 H 1 2.967 0.02 . 1 . . . A 39 LYS HE3 . 25223 1
438 . 1 1 39 39 LYS C C 13 178.654 0.3 . 1 . . . A 39 LYS C . 25223 1
439 . 1 1 39 39 LYS CA C 13 59.825 0.3 . 1 . . . A 39 LYS CA . 25223 1
440 . 1 1 39 39 LYS CB C 13 31.960 0.3 . 1 . . . A 39 LYS CB . 25223 1
441 . 1 1 39 39 LYS CG C 13 25.240 0.3 . 1 . . . A 39 LYS CG . 25223 1
442 . 1 1 39 39 LYS CD C 13 31.445 0.3 . 1 . . . A 39 LYS CD . 25223 1
443 . 1 1 39 39 LYS CE C 13 42.368 0.3 . 1 . . . A 39 LYS CE . 25223 1
444 . 1 1 39 39 LYS N N 15 121.095 0.2 . 1 . . . A 39 LYS N . 25223 1
445 . 1 1 40 40 LYS H H 1 7.331 0.02 . 1 . . . A 40 LYS H . 25223 1
446 . 1 1 40 40 LYS HA H 1 4.106 0.02 . 1 . . . A 40 LYS HA . 25223 1
447 . 1 1 40 40 LYS HB2 H 1 2.014 0.02 . 1 . . . A 40 LYS HB2 . 25223 1
448 . 1 1 40 40 LYS HB3 H 1 1.968 0.02 . 1 . . . A 40 LYS HB3 . 25223 1
449 . 1 1 40 40 LYS HG2 H 1 1.530 0.02 . 1 . . . A 40 LYS HG2 . 25223 1
450 . 1 1 40 40 LYS HG3 H 1 1.530 0.02 . 1 . . . A 40 LYS HG3 . 25223 1
451 . 1 1 40 40 LYS HD2 H 1 1.663 0.02 . 1 . . . A 40 LYS HD2 . 25223 1
452 . 1 1 40 40 LYS HD3 H 1 1.663 0.02 . 1 . . . A 40 LYS HD3 . 25223 1
453 . 1 1 40 40 LYS HE2 H 1 3.091 0.02 . 1 . . . A 40 LYS HE2 . 25223 1
454 . 1 1 40 40 LYS HE3 H 1 3.091 0.02 . 1 . . . A 40 LYS HE3 . 25223 1
455 . 1 1 40 40 LYS C C 13 179.253 0.3 . 1 . . . A 40 LYS C . 25223 1
456 . 1 1 40 40 LYS CA C 13 59.329 0.3 . 1 . . . A 40 LYS CA . 25223 1
457 . 1 1 40 40 LYS CB C 13 32.060 0.3 . 1 . . . A 40 LYS CB . 25223 1
458 . 1 1 40 40 LYS CG C 13 25.437 0.3 . 1 . . . A 40 LYS CG . 25223 1
459 . 1 1 40 40 LYS CD C 13 29.260 0.3 . 1 . . . A 40 LYS CD . 25223 1
460 . 1 1 40 40 LYS N N 15 118.082 0.2 . 1 . . . A 40 LYS N . 25223 1
461 . 1 1 41 41 CYS H H 1 8.259 0.02 . 1 . . . A 41 CYS H . 25223 1
462 . 1 1 41 41 CYS HA H 1 4.598 0.02 . 1 . . . A 41 CYS HA . 25223 1
463 . 1 1 41 41 CYS HB2 H 1 3.954 0.02 . 1 . . . A 41 CYS HB2 . 25223 1
464 . 1 1 41 41 CYS HB3 H 1 3.247 0.02 . 1 . . . A 41 CYS HB3 . 25223 1
465 . 1 1 41 41 CYS C C 13 175.867 0.3 . 1 . . . A 41 CYS C . 25223 1
466 . 1 1 41 41 CYS CA C 13 58.131 0.3 . 1 . . . A 41 CYS CA . 25223 1
467 . 1 1 41 41 CYS CB C 13 37.021 0.3 . 1 . . . A 41 CYS CB . 25223 1
468 . 1 1 41 41 CYS N N 15 120.227 0.2 . 1 . . . A 41 CYS N . 25223 1
469 . 1 1 42 42 GLN H H 1 8.144 0.02 . 1 . . . A 42 GLN H . 25223 1
470 . 1 1 42 42 GLN HA H 1 3.721 0.02 . 1 . . . A 42 GLN HA . 25223 1
471 . 1 1 42 42 GLN HB2 H 1 1.989 0.02 . 1 . . . A 42 GLN HB2 . 25223 1
472 . 1 1 42 42 GLN HB3 H 1 1.646 0.02 . 1 . . . A 42 GLN HB3 . 25223 1
473 . 1 1 42 42 GLN HG2 H 1 1.649 0.02 . 1 . . . A 42 GLN HG2 . 25223 1
474 . 1 1 42 42 GLN HG3 H 1 1.649 0.02 . 1 . . . A 42 GLN HG3 . 25223 1
475 . 1 1 42 42 GLN HE21 H 1 6.616 0.02 . 2 . . . A 42 GLN HE21 . 25223 1
476 . 1 1 42 42 GLN HE22 H 1 6.170 0.02 . 2 . . . A 42 GLN HE22 . 25223 1
477 . 1 1 42 42 GLN C C 13 179.426 0.3 . 1 . . . A 42 GLN C . 25223 1
478 . 1 1 42 42 GLN CA C 13 59.816 0.3 . 1 . . . A 42 GLN CA . 25223 1
479 . 1 1 42 42 GLN CB C 13 29.051 0.3 . 1 . . . A 42 GLN CB . 25223 1
480 . 1 1 42 42 GLN CG C 13 35.268 0.3 . 1 . . . A 42 GLN CG . 25223 1
481 . 1 1 42 42 GLN N N 15 117.500 0.2 . 1 . . . A 42 GLN N . 25223 1
482 . 1 1 42 42 GLN NE2 N 15 111.696 0.2 . 1 . . . A 42 GLN NE2 . 25223 1
483 . 1 1 43 43 ASP H H 1 7.642 0.02 . 1 . . . A 43 ASP H . 25223 1
484 . 1 1 43 43 ASP HA H 1 4.341 0.02 . 1 . . . A 43 ASP HA . 25223 1
485 . 1 1 43 43 ASP HB2 H 1 2.795 0.02 . 1 . . . A 43 ASP HB2 . 25223 1
486 . 1 1 43 43 ASP HB3 H 1 2.675 0.02 . 1 . . . A 43 ASP HB3 . 25223 1
487 . 1 1 43 43 ASP C C 13 177.973 0.3 . 1 . . . A 43 ASP C . 25223 1
488 . 1 1 43 43 ASP CA C 13 56.762 0.3 . 1 . . . A 43 ASP CA . 25223 1
489 . 1 1 43 43 ASP CB C 13 40.263 0.3 . 1 . . . A 43 ASP CB . 25223 1
490 . 1 1 43 43 ASP N N 15 117.813 0.2 . 1 . . . A 43 ASP N . 25223 1
491 . 1 1 44 44 LEU H H 1 7.899 0.02 . 1 . . . A 44 LEU H . 25223 1
492 . 1 1 44 44 LEU HA H 1 4.199 0.02 . 1 . . . A 44 LEU HA . 25223 1
493 . 1 1 44 44 LEU HB2 H 1 2.052 0.02 . 1 . . . A 44 LEU HB2 . 25223 1
494 . 1 1 44 44 LEU HB3 H 1 1.771 0.02 . 1 . . . A 44 LEU HB3 . 25223 1
495 . 1 1 44 44 LEU HG H 1 1.853 0.02 . 1 . . . A 44 LEU HG . 25223 1
496 . 1 1 44 44 LEU HD11 H 1 0.872 0.02 . 1 . . . A 44 LEU HD11 . 25223 1
497 . 1 1 44 44 LEU HD12 H 1 0.872 0.02 . 1 . . . A 44 LEU HD12 . 25223 1
498 . 1 1 44 44 LEU HD13 H 1 0.872 0.02 . 1 . . . A 44 LEU HD13 . 25223 1
499 . 1 1 44 44 LEU HD21 H 1 0.840 0.02 . 1 . . . A 44 LEU HD21 . 25223 1
500 . 1 1 44 44 LEU HD22 H 1 0.840 0.02 . 1 . . . A 44 LEU HD22 . 25223 1
501 . 1 1 44 44 LEU HD23 H 1 0.840 0.02 . 1 . . . A 44 LEU HD23 . 25223 1
502 . 1 1 44 44 LEU C C 13 178.592 0.3 . 1 . . . A 44 LEU C . 25223 1
503 . 1 1 44 44 LEU CA C 13 56.796 0.3 . 1 . . . A 44 LEU CA . 25223 1
504 . 1 1 44 44 LEU CB C 13 42.400 0.3 . 1 . . . A 44 LEU CB . 25223 1
505 . 1 1 44 44 LEU CG C 13 26.530 0.3 . 1 . . . A 44 LEU CG . 25223 1
506 . 1 1 44 44 LEU CD1 C 13 24.721 0.3 . 1 . . . A 44 LEU CD1 . 25223 1
507 . 1 1 44 44 LEU CD2 C 13 24.345 0.3 . 1 . . . A 44 LEU CD2 . 25223 1
508 . 1 1 44 44 LEU N N 15 121.251 0.2 . 1 . . . A 44 LEU N . 25223 1
509 . 1 1 45 45 LEU H H 1 7.417 0.02 . 1 . . . A 45 LEU H . 25223 1
510 . 1 1 45 45 LEU HA H 1 4.248 0.02 . 1 . . . A 45 LEU HA . 25223 1
511 . 1 1 45 45 LEU HB2 H 1 1.695 0.02 . 1 . . . A 45 LEU HB2 . 25223 1
512 . 1 1 45 45 LEU HB3 H 1 1.538 0.02 . 1 . . . A 45 LEU HB3 . 25223 1
513 . 1 1 45 45 LEU HG H 1 1.929 0.02 . 1 . . . A 45 LEU HG . 25223 1
514 . 1 1 45 45 LEU HD11 H 1 0.999 0.02 . 1 . . . A 45 LEU HD11 . 25223 1
515 . 1 1 45 45 LEU HD12 H 1 0.999 0.02 . 1 . . . A 45 LEU HD12 . 25223 1
516 . 1 1 45 45 LEU HD13 H 1 0.999 0.02 . 1 . . . A 45 LEU HD13 . 25223 1
517 . 1 1 45 45 LEU HD21 H 1 0.702 0.02 . 1 . . . A 45 LEU HD21 . 25223 1
518 . 1 1 45 45 LEU HD22 H 1 0.702 0.02 . 1 . . . A 45 LEU HD22 . 25223 1
519 . 1 1 45 45 LEU HD23 H 1 0.702 0.02 . 1 . . . A 45 LEU HD23 . 25223 1
520 . 1 1 45 45 LEU C C 13 176.736 0.3 . 1 . . . A 45 LEU C . 25223 1
521 . 1 1 45 45 LEU CA C 13 54.878 0.3 . 1 . . . A 45 LEU CA . 25223 1
522 . 1 1 45 45 LEU CB C 13 41.748 0.3 . 1 . . . A 45 LEU CB . 25223 1
523 . 1 1 45 45 LEU CG C 13 25.437 0.3 . 1 . . . A 45 LEU CG . 25223 1
524 . 1 1 45 45 LEU CD1 C 13 25.933 0.3 . 1 . . . A 45 LEU CD1 . 25223 1
525 . 1 1 45 45 LEU CD2 C 13 21.614 0.3 . 1 . . . A 45 LEU CD2 . 25223 1
526 . 1 1 45 45 LEU N N 15 117.813 0.2 . 1 . . . A 45 LEU N . 25223 1
527 . 1 1 46 46 HIS H H 1 7.481 0.02 . 1 . . . A 46 HIS H . 25223 1
528 . 1 1 46 46 HIS HA H 1 4.328 0.02 . 1 . . . A 46 HIS HA . 25223 1
529 . 1 1 46 46 HIS HB2 H 1 3.265 0.02 . 2 . . . A 46 HIS HB2 . 25223 1
530 . 1 1 46 46 HIS HB3 H 1 3.182 0.02 . 2 . . . A 46 HIS HB3 . 25223 1
531 . 1 1 46 46 HIS HD2 H 1 7.261 0.02 . 1 . . . A 46 HIS HD2 . 25223 1
532 . 1 1 46 46 HIS HE1 H 1 8.525 0.02 . 1 . . . A 46 HIS HE1 . 25223 1
533 . 1 1 46 46 HIS CA C 13 57.114 0.3 . 1 . . . A 46 HIS CA . 25223 1
534 . 1 1 46 46 HIS CB C 13 29.491 0.3 . 1 . . . A 46 HIS CB . 25223 1
535 . 1 1 46 46 HIS CD2 C 13 119.538 0.3 . 1 . . . A 46 HIS CD2 . 25223 1
536 . 1 1 46 46 HIS CE1 C 13 135.684 0.3 . 1 . . . A 46 HIS CE1 . 25223 1
537 . 1 1 46 46 HIS N N 15 121.988 0.2 . 1 . . . A 46 HIS N . 25223 1
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