###################################
# 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 16872
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 16872 1
2 '2D 1H-13C HSQC' . . . 16872 1
3 '2D 1H-1H TOCSY' . . . 16872 1
4 '2D 1H-1H NOESY' . . . 16872 1
5 '2D 1H-1H COSY' . . . 16872 1
6 '3D CBCA(CO)NH' . . . 16872 1
7 '3D HNCO' . . . 16872 1
8 '3D HNCACB' . . . 16872 1
9 '3D HBHA(CO)NH' . . . 16872 1
10 '3D HNHA' . . . 16872 1
11 '3D H(CCO)NH' . . . 16872 1
12 '3D C(CO)NH' . . . 16872 1
13 '3D 1H-15N NOESY' . . . 16872 1
14 '3D 1H-13C NOESY' . . . 16872 1
15 '3D (HB)CB(CGCD)HD' . . . 16872 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 2 2 PRO HA H 1 4.423 0.020 . 1 . . . . 2 PRO HA . 16872 1
2 . 1 1 2 2 PRO HB2 H 1 2.262 0.020 . 2 . . . . 2 PRO HB2 . 16872 1
3 . 1 1 2 2 PRO HB3 H 1 2.262 0.020 . 2 . . . . 2 PRO HB3 . 16872 1
4 . 1 1 2 2 PRO HD2 H 1 3.529 0.020 . 2 . . . . 2 PRO HD2 . 16872 1
5 . 1 1 2 2 PRO HD3 H 1 3.529 0.020 . 2 . . . . 2 PRO HD3 . 16872 1
6 . 1 1 2 2 PRO HG2 H 1 1.967 0.020 . 2 . . . . 2 PRO HG2 . 16872 1
7 . 1 1 2 2 PRO HG3 H 1 1.967 0.020 . 2 . . . . 2 PRO HG3 . 16872 1
8 . 1 1 2 2 PRO CA C 13 60.913 0.400 . 1 . . . . 2 PRO CA . 16872 1
9 . 1 1 2 2 PRO CB C 13 29.960 0.400 . 1 . . . . 2 PRO CB . 16872 1
10 . 1 1 2 2 PRO CD C 13 47.364 0.400 . 1 . . . . 2 PRO CD . 16872 1
11 . 1 1 2 2 PRO CG C 13 24.769 0.400 . 1 . . . . 2 PRO CG . 16872 1
12 . 1 1 3 3 MET H H 1 8.557 0.020 . 1 . . . . 3 MET H . 16872 1
13 . 1 1 3 3 MET HA H 1 4.429 0.020 . 1 . . . . 3 MET HA . 16872 1
14 . 1 1 3 3 MET HB2 H 1 2.030 0.020 . 2 . . . . 3 MET HB2 . 16872 1
15 . 1 1 3 3 MET HB3 H 1 2.030 0.020 . 2 . . . . 3 MET HB3 . 16872 1
16 . 1 1 3 3 MET HE1 H 1 2.048 0.020 . 1 . . . . 3 MET HE . 16872 1
17 . 1 1 3 3 MET HE2 H 1 2.048 0.020 . 1 . . . . 3 MET HE . 16872 1
18 . 1 1 3 3 MET HE3 H 1 2.048 0.020 . 1 . . . . 3 MET HE . 16872 1
19 . 1 1 3 3 MET HG2 H 1 2.542 0.020 . 2 . . . . 3 MET HG2 . 16872 1
20 . 1 1 3 3 MET HG3 H 1 2.542 0.020 . 2 . . . . 3 MET HG3 . 16872 1
21 . 1 1 3 3 MET CA C 13 53.403 0.400 . 1 . . . . 3 MET CA . 16872 1
22 . 1 1 3 3 MET CB C 13 30.600 0.400 . 1 . . . . 3 MET CB . 16872 1
23 . 1 1 3 3 MET CE C 13 14.613 0.400 . 1 . . . . 3 MET CE . 16872 1
24 . 1 1 3 3 MET CG C 13 29.712 0.400 . 1 . . . . 3 MET CG . 16872 1
25 . 1 1 3 3 MET N N 15 120.749 0.400 . 1 . . . . 3 MET N . 16872 1
26 . 1 1 4 4 GLY H H 1 8.351 0.020 . 1 . . . . 4 GLY H . 16872 1
27 . 1 1 4 4 GLY HA2 H 1 3.915 0.020 . 2 . . . . 4 GLY HA2 . 16872 1
28 . 1 1 4 4 GLY HA3 H 1 3.915 0.020 . 2 . . . . 4 GLY HA3 . 16872 1
29 . 1 1 4 4 GLY CA C 13 43.088 0.400 . 1 . . . . 4 GLY CA . 16872 1
30 . 1 1 4 4 GLY N N 15 109.862 0.400 . 1 . . . . 4 GLY N . 16872 1
31 . 1 1 5 5 MET H H 1 8.213 0.020 . 1 . . . . 5 MET H . 16872 1
32 . 1 1 5 5 MET HA H 1 4.419 0.020 . 1 . . . . 5 MET HA . 16872 1
33 . 1 1 5 5 MET HB2 H 1 2.004 0.020 . 2 . . . . 5 MET HB2 . 16872 1
34 . 1 1 5 5 MET HB3 H 1 1.949 0.020 . 2 . . . . 5 MET HB3 . 16872 1
35 . 1 1 5 5 MET HE1 H 1 2.021 0.020 . 1 . . . . 5 MET HE . 16872 1
36 . 1 1 5 5 MET HE2 H 1 2.021 0.020 . 1 . . . . 5 MET HE . 16872 1
37 . 1 1 5 5 MET HE3 H 1 2.021 0.020 . 1 . . . . 5 MET HE . 16872 1
38 . 1 1 5 5 MET HG2 H 1 2.556 0.020 . 2 . . . . 5 MET HG2 . 16872 1
39 . 1 1 5 5 MET HG3 H 1 2.467 0.020 . 2 . . . . 5 MET HG3 . 16872 1
40 . 1 1 5 5 MET CA C 13 53.354 0.400 . 1 . . . . 5 MET CA . 16872 1
41 . 1 1 5 5 MET CB C 13 30.589 0.400 . 1 . . . . 5 MET CB . 16872 1
42 . 1 1 5 5 MET CE C 13 14.802 0.400 . 1 . . . . 5 MET CE . 16872 1
43 . 1 1 5 5 MET CG C 13 29.728 0.400 . 1 . . . . 5 MET CG . 16872 1
44 . 1 1 5 5 MET N N 15 119.940 0.400 . 1 . . . . 5 MET N . 16872 1
45 . 1 1 6 6 GLN H H 1 8.430 0.020 . 1 . . . . 6 GLN H . 16872 1
46 . 1 1 6 6 GLN HA H 1 4.296 0.020 . 1 . . . . 6 GLN HA . 16872 1
47 . 1 1 6 6 GLN HB2 H 1 2.046 0.020 . 2 . . . . 6 GLN HB2 . 16872 1
48 . 1 1 6 6 GLN HB3 H 1 1.938 0.020 . 2 . . . . 6 GLN HB3 . 16872 1
49 . 1 1 6 6 GLN HE21 H 1 7.455 0.020 . 2 . . . . 6 GLN HE21 . 16872 1
50 . 1 1 6 6 GLN HE22 H 1 6.803 0.020 . 2 . . . . 6 GLN HE22 . 16872 1
51 . 1 1 6 6 GLN HG2 H 1 2.309 0.020 . 2 . . . . 6 GLN HG2 . 16872 1
52 . 1 1 6 6 GLN HG3 H 1 2.309 0.020 . 2 . . . . 6 GLN HG3 . 16872 1
53 . 1 1 6 6 GLN CA C 13 53.754 0.400 . 1 . . . . 6 GLN CA . 16872 1
54 . 1 1 6 6 GLN CB C 13 27.213 0.400 . 1 . . . . 6 GLN CB . 16872 1
55 . 1 1 6 6 GLN CG C 13 31.519 0.400 . 1 . . . . 6 GLN CG . 16872 1
56 . 1 1 6 6 GLN N N 15 121.266 0.400 . 1 . . . . 6 GLN N . 16872 1
57 . 1 1 6 6 GLN NE2 N 15 112.384 0.400 . 1 . . . . 6 GLN NE2 . 16872 1
58 . 1 1 7 7 SER H H 1 8.232 0.020 . 1 . . . . 7 SER H . 16872 1
59 . 1 1 7 7 SER HA H 1 4.421 0.020 . 1 . . . . 7 SER HA . 16872 1
60 . 1 1 7 7 SER HB2 H 1 3.746 0.020 . 2 . . . . 7 SER HB2 . 16872 1
61 . 1 1 7 7 SER HB3 H 1 3.746 0.020 . 2 . . . . 7 SER HB3 . 16872 1
62 . 1 1 7 7 SER CA C 13 55.869 0.400 . 1 . . . . 7 SER CA . 16872 1
63 . 1 1 7 7 SER CB C 13 61.563 0.400 . 1 . . . . 7 SER CB . 16872 1
64 . 1 1 7 7 SER N N 15 116.819 0.400 . 1 . . . . 7 SER N . 16872 1
65 . 1 1 8 8 ILE H H 1 8.151 0.020 . 1 . . . . 8 ILE H . 16872 1
66 . 1 1 8 8 ILE HA H 1 4.142 0.020 . 1 . . . . 8 ILE HA . 16872 1
67 . 1 1 8 8 ILE HB H 1 1.783 0.020 . 1 . . . . 8 ILE HB . 16872 1
68 . 1 1 8 8 ILE HD11 H 1 0.769 0.020 . 1 . . . . 8 ILE HD1 . 16872 1
69 . 1 1 8 8 ILE HD12 H 1 0.769 0.020 . 1 . . . . 8 ILE HD1 . 16872 1
70 . 1 1 8 8 ILE HD13 H 1 0.769 0.020 . 1 . . . . 8 ILE HD1 . 16872 1
71 . 1 1 8 8 ILE HG12 H 1 1.382 0.020 . 2 . . . . 8 ILE HG12 . 16872 1
72 . 1 1 8 8 ILE HG13 H 1 1.084 0.020 . 2 . . . . 8 ILE HG13 . 16872 1
73 . 1 1 8 8 ILE HG21 H 1 0.818 0.020 . 1 . . . . 8 ILE HG2 . 16872 1
74 . 1 1 8 8 ILE HG22 H 1 0.818 0.020 . 1 . . . . 8 ILE HG2 . 16872 1
75 . 1 1 8 8 ILE HG23 H 1 0.818 0.020 . 1 . . . . 8 ILE HG2 . 16872 1
76 . 1 1 8 8 ILE CA C 13 58.891 0.400 . 1 . . . . 8 ILE CA . 16872 1
77 . 1 1 8 8 ILE CB C 13 36.395 0.400 . 1 . . . . 8 ILE CB . 16872 1
78 . 1 1 8 8 ILE CD1 C 13 10.746 0.400 . 1 . . . . 8 ILE CD1 . 16872 1
79 . 1 1 8 8 ILE CG1 C 13 24.833 0.400 . 1 . . . . 8 ILE CG1 . 16872 1
80 . 1 1 8 8 ILE CG2 C 13 15.509 0.400 . 1 . . . . 8 ILE CG2 . 16872 1
81 . 1 1 8 8 ILE N N 15 122.332 0.400 . 1 . . . . 8 ILE N . 16872 1
82 . 1 1 9 9 ARG H H 1 8.429 0.020 . 1 . . . . 9 ARG H . 16872 1
83 . 1 1 9 9 ARG HA H 1 4.381 0.020 . 1 . . . . 9 ARG HA . 16872 1
84 . 1 1 9 9 ARG HB2 H 1 1.815 0.020 . 2 . . . . 9 ARG HB2 . 16872 1
85 . 1 1 9 9 ARG HB3 H 1 1.700 0.020 . 2 . . . . 9 ARG HB3 . 16872 1
86 . 1 1 9 9 ARG HD2 H 1 3.077 0.020 . 2 . . . . 9 ARG HD2 . 16872 1
87 . 1 1 9 9 ARG HD3 H 1 3.077 0.020 . 2 . . . . 9 ARG HD3 . 16872 1
88 . 1 1 9 9 ARG HE H 1 7.162 0.020 . 1 . . . . 9 ARG HE . 16872 1
89 . 1 1 9 9 ARG HG2 H 1 1.583 0.020 . 2 . . . . 9 ARG HG2 . 16872 1
90 . 1 1 9 9 ARG HG3 H 1 1.488 0.020 . 2 . . . . 9 ARG HG3 . 16872 1
91 . 1 1 9 9 ARG CA C 13 54.124 0.400 . 1 . . . . 9 ARG CA . 16872 1
92 . 1 1 9 9 ARG CB C 13 28.958 0.400 . 1 . . . . 9 ARG CB . 16872 1
93 . 1 1 9 9 ARG CD C 13 41.047 0.400 . 1 . . . . 9 ARG CD . 16872 1
94 . 1 1 9 9 ARG CG C 13 25.011 0.400 . 1 . . . . 9 ARG CG . 16872 1
95 . 1 1 9 9 ARG N N 15 123.716 0.400 . 1 . . . . 9 ARG N . 16872 1
96 . 1 1 9 9 ARG NE N 15 84.321 0.400 . 1 . . . . 9 ARG NE . 16872 1
97 . 1 1 10 10 GLU H H 1 8.112 0.020 . 1 . . . . 10 GLU H . 16872 1
98 . 1 1 10 10 GLU HA H 1 4.682 0.020 . 1 . . . . 10 GLU HA . 16872 1
99 . 1 1 10 10 GLU HB2 H 1 1.974 0.020 . 2 . . . . 10 GLU HB2 . 16872 1
100 . 1 1 10 10 GLU HB3 H 1 1.822 0.020 . 2 . . . . 10 GLU HB3 . 16872 1
101 . 1 1 10 10 GLU HG2 H 1 2.109 0.020 . 2 . . . . 10 GLU HG2 . 16872 1
102 . 1 1 10 10 GLU HG3 H 1 2.109 0.020 . 2 . . . . 10 GLU HG3 . 16872 1
103 . 1 1 10 10 GLU CA C 13 53.616 0.400 . 1 . . . . 10 GLU CA . 16872 1
104 . 1 1 10 10 GLU CB C 13 28.937 0.400 . 1 . . . . 10 GLU CB . 16872 1
105 . 1 1 10 10 GLU CG C 13 33.401 0.400 . 1 . . . . 10 GLU CG . 16872 1
106 . 1 1 10 10 GLU N N 15 120.401 0.400 . 1 . . . . 10 GLU N . 16872 1
107 . 1 1 11 11 GLN H H 1 8.507 0.020 . 1 . . . . 11 GLN H . 16872 1
108 . 1 1 11 11 GLN HA H 1 4.597 0.020 . 1 . . . . 11 GLN HA . 16872 1
109 . 1 1 11 11 GLN HB2 H 1 2.123 0.020 . 2 . . . . 11 GLN HB2 . 16872 1
110 . 1 1 11 11 GLN HB3 H 1 2.123 0.020 . 2 . . . . 11 GLN HB3 . 16872 1
111 . 1 1 11 11 GLN HE21 H 1 7.537 0.020 . 2 . . . . 11 GLN HE21 . 16872 1
112 . 1 1 11 11 GLN HE22 H 1 6.820 0.020 . 2 . . . . 11 GLN HE22 . 16872 1
113 . 1 1 11 11 GLN HG2 H 1 2.398 0.020 . 2 . . . . 11 GLN HG2 . 16872 1
114 . 1 1 11 11 GLN HG3 H 1 2.398 0.020 . 2 . . . . 11 GLN HG3 . 16872 1
115 . 1 1 11 11 GLN CA C 13 52.889 0.400 . 1 . . . . 11 GLN CA . 16872 1
116 . 1 1 11 11 GLN CB C 13 29.537 0.400 . 1 . . . . 11 GLN CB . 16872 1
117 . 1 1 11 11 GLN CG C 13 31.669 0.400 . 1 . . . . 11 GLN CG . 16872 1
118 . 1 1 11 11 GLN N N 15 120.678 0.400 . 1 . . . . 11 GLN N . 16872 1
119 . 1 1 11 11 GLN NE2 N 15 111.967 0.400 . 1 . . . . 11 GLN NE2 . 16872 1
120 . 1 1 12 12 SER H H 1 8.618 0.020 . 1 . . . . 12 SER H . 16872 1
121 . 1 1 12 12 SER HA H 1 4.895 0.020 . 1 . . . . 12 SER HA . 16872 1
122 . 1 1 12 12 SER HB2 H 1 3.877 0.020 . 2 . . . . 12 SER HB2 . 16872 1
123 . 1 1 12 12 SER HB3 H 1 3.877 0.020 . 2 . . . . 12 SER HB3 . 16872 1
124 . 1 1 12 12 SER CA C 13 56.385 0.400 . 1 . . . . 12 SER CA . 16872 1
125 . 1 1 12 12 SER CB C 13 61.675 0.400 . 1 . . . . 12 SER CB . 16872 1
126 . 1 1 12 12 SER N N 15 120.470 0.400 . 1 . . . . 12 SER N . 16872 1
127 . 1 1 13 13 CYS H H 1 8.611 0.020 . 1 . . . . 13 CYS H . 16872 1
128 . 1 1 13 13 CYS HA H 1 4.874 0.020 . 1 . . . . 13 CYS HA . 16872 1
129 . 1 1 13 13 CYS HB2 H 1 2.987 0.020 . 2 . . . . 13 CYS HB2 . 16872 1
130 . 1 1 13 13 CYS HB3 H 1 2.918 0.020 . 2 . . . . 13 CYS HB3 . 16872 1
131 . 1 1 13 13 CYS CA C 13 54.098 0.400 . 1 . . . . 13 CYS CA . 16872 1
132 . 1 1 13 13 CYS CB C 13 28.287 0.400 . 1 . . . . 13 CYS CB . 16872 1
133 . 1 1 13 13 CYS N N 15 119.756 0.400 . 1 . . . . 13 CYS N . 16872 1
134 . 1 1 14 14 ARG H H 1 8.529 0.020 . 1 . . . . 14 ARG H . 16872 1
135 . 1 1 14 14 ARG HA H 1 4.867 0.020 . 1 . . . . 14 ARG HA . 16872 1
136 . 1 1 14 14 ARG HB2 H 1 1.940 0.020 . 2 . . . . 14 ARG HB2 . 16872 1
137 . 1 1 14 14 ARG HB3 H 1 1.800 0.020 . 2 . . . . 14 ARG HB3 . 16872 1
138 . 1 1 14 14 ARG HD2 H 1 3.134 0.020 . 2 . . . . 14 ARG HD2 . 16872 1
139 . 1 1 14 14 ARG HD3 H 1 3.064 0.020 . 2 . . . . 14 ARG HD3 . 16872 1
140 . 1 1 14 14 ARG HE H 1 6.955 0.020 . 1 . . . . 14 ARG HE . 16872 1
141 . 1 1 14 14 ARG HG2 H 1 1.748 0.020 . 2 . . . . 14 ARG HG2 . 16872 1
142 . 1 1 14 14 ARG HG3 H 1 1.748 0.020 . 2 . . . . 14 ARG HG3 . 16872 1
143 . 1 1 14 14 ARG CA C 13 53.436 0.400 . 1 . . . . 14 ARG CA . 16872 1
144 . 1 1 14 14 ARG CB C 13 28.462 0.400 . 1 . . . . 14 ARG CB . 16872 1
145 . 1 1 14 14 ARG CD C 13 40.736 0.400 . 1 . . . . 14 ARG CD . 16872 1
146 . 1 1 14 14 ARG CG C 13 24.696 0.400 . 1 . . . . 14 ARG CG . 16872 1
147 . 1 1 14 14 ARG N N 15 122.881 0.400 . 1 . . . . 14 ARG N . 16872 1
148 . 1 1 14 14 ARG NE N 15 84.068 0.400 . 1 . . . . 14 ARG NE . 16872 1
149 . 1 1 15 15 VAL H H 1 8.896 0.020 . 1 . . . . 15 VAL H . 16872 1
150 . 1 1 15 15 VAL HA H 1 4.663 0.020 . 1 . . . . 15 VAL HA . 16872 1
151 . 1 1 15 15 VAL HB H 1 1.624 0.020 . 1 . . . . 15 VAL HB . 16872 1
152 . 1 1 15 15 VAL HG11 H 1 0.506 0.020 . 2 . . . . 15 VAL HG1 . 16872 1
153 . 1 1 15 15 VAL HG12 H 1 0.506 0.020 . 2 . . . . 15 VAL HG1 . 16872 1
154 . 1 1 15 15 VAL HG13 H 1 0.506 0.020 . 2 . . . . 15 VAL HG1 . 16872 1
155 . 1 1 15 15 VAL HG21 H 1 -0.200 0.020 . 2 . . . . 15 VAL HG2 . 16872 1
156 . 1 1 15 15 VAL HG22 H 1 -0.200 0.020 . 2 . . . . 15 VAL HG2 . 16872 1
157 . 1 1 15 15 VAL HG23 H 1 -0.200 0.020 . 2 . . . . 15 VAL HG2 . 16872 1
158 . 1 1 15 15 VAL CA C 13 56.802 0.400 . 1 . . . . 15 VAL CA . 16872 1
159 . 1 1 15 15 VAL CB C 13 32.265 0.400 . 1 . . . . 15 VAL CB . 16872 1
160 . 1 1 15 15 VAL CG1 C 13 20.928 0.400 . 1 . . . . 15 VAL CG1 . 16872 1
161 . 1 1 15 15 VAL CG2 C 13 14.626 0.400 . 1 . . . . 15 VAL CG2 . 16872 1
162 . 1 1 15 15 VAL N N 15 117.718 0.400 . 1 . . . . 15 VAL N . 16872 1
163 . 1 1 16 16 VAL H H 1 8.393 0.020 . 1 . . . . 16 VAL H . 16872 1
164 . 1 1 16 16 VAL HA H 1 4.437 0.020 . 1 . . . . 16 VAL HA . 16872 1
165 . 1 1 16 16 VAL HB H 1 -0.255 0.020 . 1 . . . . 16 VAL HB . 16872 1
166 . 1 1 16 16 VAL HG11 H 1 -0.407 0.020 . 2 . . . . 16 VAL HG1 . 16872 1
167 . 1 1 16 16 VAL HG12 H 1 -0.407 0.020 . 2 . . . . 16 VAL HG1 . 16872 1
168 . 1 1 16 16 VAL HG13 H 1 -0.407 0.020 . 2 . . . . 16 VAL HG1 . 16872 1
169 . 1 1 16 16 VAL HG21 H 1 -0.154 0.020 . 2 . . . . 16 VAL HG2 . 16872 1
170 . 1 1 16 16 VAL HG22 H 1 -0.154 0.020 . 2 . . . . 16 VAL HG2 . 16872 1
171 . 1 1 16 16 VAL HG23 H 1 -0.154 0.020 . 2 . . . . 16 VAL HG2 . 16872 1
172 . 1 1 16 16 VAL CA C 13 55.420 0.400 . 1 . . . . 16 VAL CA . 16872 1
173 . 1 1 16 16 VAL CB C 13 31.387 0.400 . 1 . . . . 16 VAL CB . 16872 1
174 . 1 1 16 16 VAL CG1 C 13 19.263 0.400 . 1 . . . . 16 VAL CG1 . 16872 1
175 . 1 1 16 16 VAL CG2 C 13 16.003 0.400 . 1 . . . . 16 VAL CG2 . 16872 1
176 . 1 1 16 16 VAL N N 15 116.866 0.400 . 1 . . . . 16 VAL N . 16872 1
177 . 1 1 17 17 THR H H 1 8.282 0.020 . 1 . . . . 17 THR H . 16872 1
178 . 1 1 17 17 THR HA H 1 5.240 0.020 . 1 . . . . 17 THR HA . 16872 1
179 . 1 1 17 17 THR HB H 1 3.722 0.020 . 1 . . . . 17 THR HB . 16872 1
180 . 1 1 17 17 THR HG21 H 1 0.868 0.020 . 1 . . . . 17 THR HG2 . 16872 1
181 . 1 1 17 17 THR HG22 H 1 0.868 0.020 . 1 . . . . 17 THR HG2 . 16872 1
182 . 1 1 17 17 THR HG23 H 1 0.868 0.020 . 1 . . . . 17 THR HG2 . 16872 1
183 . 1 1 17 17 THR CA C 13 58.381 0.400 . 1 . . . . 17 THR CA . 16872 1
184 . 1 1 17 17 THR CB C 13 69.399 0.400 . 1 . . . . 17 THR CB . 16872 1
185 . 1 1 17 17 THR CG2 C 13 18.267 0.400 . 1 . . . . 17 THR CG2 . 16872 1
186 . 1 1 17 17 THR N N 15 122.403 0.400 . 1 . . . . 17 THR N . 16872 1
187 . 1 1 18 18 CYS H H 1 7.861 0.020 . 1 . . . . 18 CYS H . 16872 1
188 . 1 1 18 18 CYS HA H 1 4.565 0.020 . 1 . . . . 18 CYS HA . 16872 1
189 . 1 1 18 18 CYS HB2 H 1 2.263 0.020 . 2 . . . . 18 CYS HB2 . 16872 1
190 . 1 1 18 18 CYS HB3 H 1 1.972 0.020 . 2 . . . . 18 CYS HB3 . 16872 1
191 . 1 1 18 18 CYS CA C 13 56.248 0.400 . 1 . . . . 18 CYS CA . 16872 1
192 . 1 1 18 18 CYS CB C 13 26.724 0.400 . 1 . . . . 18 CYS CB . 16872 1
193 . 1 1 18 18 CYS N N 15 128.069 0.400 . 1 . . . . 18 CYS N . 16872 1
194 . 1 1 19 19 LYS H H 1 9.221 0.020 . 1 . . . . 19 LYS H . 16872 1
195 . 1 1 19 19 LYS HA H 1 3.976 0.020 . 1 . . . . 19 LYS HA . 16872 1
196 . 1 1 19 19 LYS HB2 H 1 1.856 0.020 . 2 . . . . 19 LYS HB2 . 16872 1
197 . 1 1 19 19 LYS HB3 H 1 1.815 0.020 . 2 . . . . 19 LYS HB3 . 16872 1
198 . 1 1 19 19 LYS HD2 H 1 1.544 0.020 . 2 . . . . 19 LYS HD2 . 16872 1
199 . 1 1 19 19 LYS HD3 H 1 1.544 0.020 . 2 . . . . 19 LYS HD3 . 16872 1
200 . 1 1 19 19 LYS HE2 H 1 2.748 0.020 . 2 . . . . 19 LYS HE2 . 16872 1
201 . 1 1 19 19 LYS HE3 H 1 2.748 0.020 . 2 . . . . 19 LYS HE3 . 16872 1
202 . 1 1 19 19 LYS HG2 H 1 1.418 0.020 . 2 . . . . 19 LYS HG2 . 16872 1
203 . 1 1 19 19 LYS HG3 H 1 1.320 0.020 . 2 . . . . 19 LYS HG3 . 16872 1
204 . 1 1 19 19 LYS CA C 13 56.113 0.400 . 1 . . . . 19 LYS CA . 16872 1
205 . 1 1 19 19 LYS CB C 13 29.811 0.400 . 1 . . . . 19 LYS CB . 16872 1
206 . 1 1 19 19 LYS CD C 13 26.705 0.400 . 1 . . . . 19 LYS CD . 16872 1
207 . 1 1 19 19 LYS CE C 13 39.286 0.400 . 1 . . . . 19 LYS CE . 16872 1
208 . 1 1 19 19 LYS CG C 13 23.125 0.400 . 1 . . . . 19 LYS CG . 16872 1
209 . 1 1 19 19 LYS N N 15 129.901 0.400 . 1 . . . . 19 LYS N . 16872 1
210 . 1 1 20 20 THR H H 1 8.014 0.020 . 1 . . . . 20 THR H . 16872 1
211 . 1 1 20 20 THR HA H 1 3.822 0.020 . 1 . . . . 20 THR HA . 16872 1
212 . 1 1 20 20 THR HB H 1 3.548 0.020 . 1 . . . . 20 THR HB . 16872 1
213 . 1 1 20 20 THR HG21 H 1 0.516 0.020 . 1 . . . . 20 THR HG2 . 16872 1
214 . 1 1 20 20 THR HG22 H 1 0.516 0.020 . 1 . . . . 20 THR HG2 . 16872 1
215 . 1 1 20 20 THR HG23 H 1 0.516 0.020 . 1 . . . . 20 THR HG2 . 16872 1
216 . 1 1 20 20 THR CA C 13 64.192 0.400 . 1 . . . . 20 THR CA . 16872 1
217 . 1 1 20 20 THR CB C 13 67.542 0.400 . 1 . . . . 20 THR CB . 16872 1
218 . 1 1 20 20 THR CG2 C 13 18.322 0.400 . 1 . . . . 20 THR CG2 . 16872 1
219 . 1 1 20 20 THR N N 15 119.181 0.400 . 1 . . . . 20 THR N . 16872 1
220 . 1 1 21 21 CYS H H 1 8.885 0.020 . 1 . . . . 21 CYS H . 16872 1
221 . 1 1 21 21 CYS HA H 1 3.939 0.020 . 1 . . . . 21 CYS HA . 16872 1
222 . 1 1 21 21 CYS HB2 H 1 3.178 0.020 . 2 . . . . 21 CYS HB2 . 16872 1
223 . 1 1 21 21 CYS HB3 H 1 2.707 0.020 . 2 . . . . 21 CYS HB3 . 16872 1
224 . 1 1 21 21 CYS CA C 13 59.861 0.400 . 1 . . . . 21 CYS CA . 16872 1
225 . 1 1 21 21 CYS CB C 13 29.820 0.400 . 1 . . . . 21 CYS CB . 16872 1
226 . 1 1 21 21 CYS N N 15 122.235 0.400 . 1 . . . . 21 CYS N . 16872 1
227 . 1 1 22 22 LYS H H 1 7.989 0.020 . 1 . . . . 22 LYS H . 16872 1
228 . 1 1 22 22 LYS HA H 1 3.773 0.020 . 1 . . . . 22 LYS HA . 16872 1
229 . 1 1 22 22 LYS HB2 H 1 2.182 0.020 . 2 . . . . 22 LYS HB2 . 16872 1
230 . 1 1 22 22 LYS HB3 H 1 1.666 0.020 . 2 . . . . 22 LYS HB3 . 16872 1
231 . 1 1 22 22 LYS HD2 H 1 1.550 0.020 . 2 . . . . 22 LYS HD2 . 16872 1
232 . 1 1 22 22 LYS HD3 H 1 1.550 0.020 . 2 . . . . 22 LYS HD3 . 16872 1
233 . 1 1 22 22 LYS HE2 H 1 2.924 0.020 . 2 . . . . 22 LYS HE2 . 16872 1
234 . 1 1 22 22 LYS HE3 H 1 2.924 0.020 . 2 . . . . 22 LYS HE3 . 16872 1
235 . 1 1 22 22 LYS HG2 H 1 1.154 0.020 . 2 . . . . 22 LYS HG2 . 16872 1
236 . 1 1 22 22 LYS HG3 H 1 1.154 0.020 . 2 . . . . 22 LYS HG3 . 16872 1
237 . 1 1 22 22 LYS CA C 13 55.071 0.400 . 1 . . . . 22 LYS CA . 16872 1
238 . 1 1 22 22 LYS CB C 13 26.004 0.400 . 1 . . . . 22 LYS CB . 16872 1
239 . 1 1 22 22 LYS CD C 13 26.780 0.400 . 1 . . . . 22 LYS CD . 16872 1
240 . 1 1 22 22 LYS CE C 13 40.034 0.400 . 1 . . . . 22 LYS CE . 16872 1
241 . 1 1 22 22 LYS CG C 13 22.470 0.400 . 1 . . . . 22 LYS CG . 16872 1
242 . 1 1 22 22 LYS N N 15 115.197 0.400 . 1 . . . . 22 LYS N . 16872 1
243 . 1 1 23 23 TYR H H 1 6.888 0.020 . 1 . . . . 23 TYR H . 16872 1
244 . 1 1 23 23 TYR HA H 1 4.940 0.020 . 1 . . . . 23 TYR HA . 16872 1
245 . 1 1 23 23 TYR HB2 H 1 2.815 0.020 . 2 . . . . 23 TYR HB2 . 16872 1
246 . 1 1 23 23 TYR HB3 H 1 2.714 0.020 . 2 . . . . 23 TYR HB3 . 16872 1
247 . 1 1 23 23 TYR HD1 H 1 6.627 0.020 . 1 . . . . 23 TYR HD1 . 16872 1
248 . 1 1 23 23 TYR HD2 H 1 6.627 0.020 . 1 . . . . 23 TYR HD2 . 16872 1
249 . 1 1 23 23 TYR HE1 H 1 6.660 0.020 . 1 . . . . 23 TYR HE1 . 16872 1
250 . 1 1 23 23 TYR HE2 H 1 6.660 0.020 . 1 . . . . 23 TYR HE2 . 16872 1
251 . 1 1 23 23 TYR CA C 13 54.018 0.400 . 1 . . . . 23 TYR CA . 16872 1
252 . 1 1 23 23 TYR CB C 13 38.862 0.400 . 1 . . . . 23 TYR CB . 16872 1
253 . 1 1 23 23 TYR N N 15 114.042 0.400 . 1 . . . . 23 TYR N . 16872 1
254 . 1 1 24 24 THR H H 1 8.526 0.020 . 1 . . . . 24 THR H . 16872 1
255 . 1 1 24 24 THR HA H 1 5.394 0.020 . 1 . . . . 24 THR HA . 16872 1
256 . 1 1 24 24 THR HB H 1 3.679 0.020 . 1 . . . . 24 THR HB . 16872 1
257 . 1 1 24 24 THR HG21 H 1 0.901 0.020 . 1 . . . . 24 THR HG2 . 16872 1
258 . 1 1 24 24 THR HG22 H 1 0.901 0.020 . 1 . . . . 24 THR HG2 . 16872 1
259 . 1 1 24 24 THR HG23 H 1 0.901 0.020 . 1 . . . . 24 THR HG2 . 16872 1
260 . 1 1 24 24 THR CA C 13 59.592 0.400 . 1 . . . . 24 THR CA . 16872 1
261 . 1 1 24 24 THR CB C 13 68.901 0.400 . 1 . . . . 24 THR CB . 16872 1
262 . 1 1 24 24 THR CG2 C 13 18.648 0.400 . 1 . . . . 24 THR CG2 . 16872 1
263 . 1 1 24 24 THR N N 15 117.576 0.400 . 1 . . . . 24 THR N . 16872 1
264 . 1 1 25 25 HIS H H 1 9.117 0.020 . 1 . . . . 25 HIS H . 16872 1
265 . 1 1 25 25 HIS HA H 1 4.818 0.020 . 1 . . . . 25 HIS HA . 16872 1
266 . 1 1 25 25 HIS HB2 H 1 3.307 0.020 . 2 . . . . 25 HIS HB2 . 16872 1
267 . 1 1 25 25 HIS HB3 H 1 2.856 0.020 . 2 . . . . 25 HIS HB3 . 16872 1
268 . 1 1 25 25 HIS HD2 H 1 7.031 0.020 . 1 . . . . 25 HIS HD2 . 16872 1
269 . 1 1 25 25 HIS CA C 13 51.709 0.400 . 1 . . . . 25 HIS CA . 16872 1
270 . 1 1 25 25 HIS CB C 13 32.810 0.400 . 1 . . . . 25 HIS CB . 16872 1
271 . 1 1 25 25 HIS N N 15 125.384 0.400 . 1 . . . . 25 HIS N . 16872 1
272 . 1 1 26 26 PHE H H 1 7.691 0.020 . 1 . . . . 26 PHE H . 16872 1
273 . 1 1 26 26 PHE HA H 1 4.394 0.020 . 1 . . . . 26 PHE HA . 16872 1
274 . 1 1 26 26 PHE HB2 H 1 3.311 0.020 . 2 . . . . 26 PHE HB2 . 16872 1
275 . 1 1 26 26 PHE HB3 H 1 2.772 0.020 . 2 . . . . 26 PHE HB3 . 16872 1
276 . 1 1 26 26 PHE HD1 H 1 7.245 0.020 . 1 . . . . 26 PHE HD1 . 16872 1
277 . 1 1 26 26 PHE HD2 H 1 7.245 0.020 . 1 . . . . 26 PHE HD2 . 16872 1
278 . 1 1 26 26 PHE HE1 H 1 6.878 0.020 . 1 . . . . 26 PHE HE1 . 16872 1
279 . 1 1 26 26 PHE HE2 H 1 6.878 0.020 . 1 . . . . 26 PHE HE2 . 16872 1
280 . 1 1 26 26 PHE CA C 13 58.636 0.400 . 1 . . . . 26 PHE CA . 16872 1
281 . 1 1 26 26 PHE CB C 13 37.207 0.400 . 1 . . . . 26 PHE CB . 16872 1
282 . 1 1 26 26 PHE N N 15 117.961 0.400 . 1 . . . . 26 PHE N . 16872 1
283 . 1 1 27 27 LYS H H 1 7.494 0.020 . 1 . . . . 27 LYS H . 16872 1
284 . 1 1 27 27 LYS HA H 1 4.658 0.020 . 1 . . . . 27 LYS HA . 16872 1
285 . 1 1 27 27 LYS HB2 H 1 1.848 0.020 . 2 . . . . 27 LYS HB2 . 16872 1
286 . 1 1 27 27 LYS HB3 H 1 1.848 0.020 . 2 . . . . 27 LYS HB3 . 16872 1
287 . 1 1 27 27 LYS HD2 H 1 1.744 0.020 . 2 . . . . 27 LYS HD2 . 16872 1
288 . 1 1 27 27 LYS HD3 H 1 1.744 0.020 . 2 . . . . 27 LYS HD3 . 16872 1
289 . 1 1 27 27 LYS HE2 H 1 2.962 0.020 . 2 . . . . 27 LYS HE2 . 16872 1
290 . 1 1 27 27 LYS HE3 H 1 2.962 0.020 . 2 . . . . 27 LYS HE3 . 16872 1
291 . 1 1 27 27 LYS HG2 H 1 1.372 0.020 . 2 . . . . 27 LYS HG2 . 16872 1
292 . 1 1 27 27 LYS HG3 H 1 1.279 0.020 . 2 . . . . 27 LYS HG3 . 16872 1
293 . 1 1 27 27 LYS CA C 13 50.986 0.400 . 1 . . . . 27 LYS CA . 16872 1
294 . 1 1 27 27 LYS CB C 13 31.754 0.400 . 1 . . . . 27 LYS CB . 16872 1
295 . 1 1 27 27 LYS CG C 13 21.418 0.400 . 1 . . . . 27 LYS CG . 16872 1
296 . 1 1 27 27 LYS N N 15 113.377 0.400 . 1 . . . . 27 LYS N . 16872 1
297 . 1 1 28 28 PRO HA H 1 4.427 0.020 . 1 . . . . 28 PRO HA . 16872 1
298 . 1 1 28 28 PRO HB2 H 1 1.399 0.020 . 2 . . . . 28 PRO HB2 . 16872 1
299 . 1 1 28 28 PRO HB3 H 1 1.176 0.020 . 2 . . . . 28 PRO HB3 . 16872 1
300 . 1 1 28 28 PRO HD2 H 1 3.739 0.020 . 2 . . . . 28 PRO HD2 . 16872 1
301 . 1 1 28 28 PRO HD3 H 1 3.409 0.020 . 2 . . . . 28 PRO HD3 . 16872 1
302 . 1 1 28 28 PRO HG2 H 1 1.755 0.020 . 2 . . . . 28 PRO HG2 . 16872 1
303 . 1 1 28 28 PRO HG3 H 1 1.382 0.020 . 2 . . . . 28 PRO HG3 . 16872 1
304 . 1 1 28 28 PRO CA C 13 59.328 0.400 . 1 . . . . 28 PRO CA . 16872 1
305 . 1 1 28 28 PRO CB C 13 28.848 0.400 . 1 . . . . 28 PRO CB . 16872 1
306 . 1 1 28 28 PRO CD C 13 47.735 0.400 . 1 . . . . 28 PRO CD . 16872 1
307 . 1 1 28 28 PRO CG C 13 24.042 0.400 . 1 . . . . 28 PRO CG . 16872 1
308 . 1 1 29 29 LYS H H 1 7.823 0.020 . 1 . . . . 29 LYS H . 16872 1
309 . 1 1 29 29 LYS HA H 1 4.118 0.020 . 1 . . . . 29 LYS HA . 16872 1
310 . 1 1 29 29 LYS HB2 H 1 2.336 0.020 . 2 . . . . 29 LYS HB2 . 16872 1
311 . 1 1 29 29 LYS HB3 H 1 1.995 0.020 . 2 . . . . 29 LYS HB3 . 16872 1
312 . 1 1 29 29 LYS HD2 H 1 1.562 0.020 . 2 . . . . 29 LYS HD2 . 16872 1
313 . 1 1 29 29 LYS HD3 H 1 1.562 0.020 . 2 . . . . 29 LYS HD3 . 16872 1
314 . 1 1 29 29 LYS HE2 H 1 2.593 0.020 . 2 . . . . 29 LYS HE2 . 16872 1
315 . 1 1 29 29 LYS HE3 H 1 2.572 0.020 . 2 . . . . 29 LYS HE3 . 16872 1
316 . 1 1 29 29 LYS HG2 H 1 1.314 0.020 . 2 . . . . 29 LYS HG2 . 16872 1
317 . 1 1 29 29 LYS HG3 H 1 1.273 0.020 . 2 . . . . 29 LYS HG3 . 16872 1
318 . 1 1 29 29 LYS CA C 13 54.708 0.400 . 1 . . . . 29 LYS CA . 16872 1
319 . 1 1 29 29 LYS CB C 13 30.800 0.400 . 1 . . . . 29 LYS CB . 16872 1
320 . 1 1 29 29 LYS CD C 13 27.262 0.400 . 1 . . . . 29 LYS CD . 16872 1
321 . 1 1 29 29 LYS CE C 13 39.604 0.400 . 1 . . . . 29 LYS CE . 16872 1
322 . 1 1 29 29 LYS CG C 13 23.328 0.400 . 1 . . . . 29 LYS CG . 16872 1
323 . 1 1 29 29 LYS N N 15 121.167 0.400 . 1 . . . . 29 LYS N . 16872 1
324 . 1 1 30 30 GLU H H 1 8.989 0.020 . 1 . . . . 30 GLU H . 16872 1
325 . 1 1 30 30 GLU HA H 1 3.867 0.020 . 1 . . . . 30 GLU HA . 16872 1
326 . 1 1 30 30 GLU HB2 H 1 2.020 0.020 . 2 . . . . 30 GLU HB2 . 16872 1
327 . 1 1 30 30 GLU HB3 H 1 2.020 0.020 . 2 . . . . 30 GLU HB3 . 16872 1
328 . 1 1 30 30 GLU HG2 H 1 2.337 0.020 . 2 . . . . 30 GLU HG2 . 16872 1
329 . 1 1 30 30 GLU HG3 H 1 2.337 0.020 . 2 . . . . 30 GLU HG3 . 16872 1
330 . 1 1 30 30 GLU CA C 13 58.140 0.400 . 1 . . . . 30 GLU CA . 16872 1
331 . 1 1 30 30 GLU CB C 13 26.642 0.400 . 1 . . . . 30 GLU CB . 16872 1
332 . 1 1 30 30 GLU CG C 13 34.286 0.400 . 1 . . . . 30 GLU CG . 16872 1
333 . 1 1 30 30 GLU N N 15 123.457 0.400 . 1 . . . . 30 GLU N . 16872 1
334 . 1 1 31 31 THR H H 1 7.853 0.020 . 1 . . . . 31 THR H . 16872 1
335 . 1 1 31 31 THR HA H 1 4.030 0.020 . 1 . . . . 31 THR HA . 16872 1
336 . 1 1 31 31 THR HB H 1 4.042 0.020 . 1 . . . . 31 THR HB . 16872 1
337 . 1 1 31 31 THR HG21 H 1 1.152 0.020 . 1 . . . . 31 THR HG2 . 16872 1
338 . 1 1 31 31 THR HG22 H 1 1.152 0.020 . 1 . . . . 31 THR HG2 . 16872 1
339 . 1 1 31 31 THR HG23 H 1 1.152 0.020 . 1 . . . . 31 THR HG2 . 16872 1
340 . 1 1 31 31 THR CA C 13 62.124 0.400 . 1 . . . . 31 THR CA . 16872 1
341 . 1 1 31 31 THR CB C 13 65.893 0.400 . 1 . . . . 31 THR CB . 16872 1
342 . 1 1 31 31 THR CG2 C 13 20.443 0.400 . 1 . . . . 31 THR CG2 . 16872 1
343 . 1 1 31 31 THR N N 15 109.542 0.400 . 1 . . . . 31 THR N . 16872 1
344 . 1 1 32 32 CYS H H 1 6.780 0.020 . 1 . . . . 32 CYS H . 16872 1
345 . 1 1 32 32 CYS HA H 1 2.573 0.020 . 1 . . . . 32 CYS HA . 16872 1
346 . 1 1 32 32 CYS HB2 H 1 2.974 0.020 . 2 . . . . 32 CYS HB2 . 16872 1
347 . 1 1 32 32 CYS HB3 H 1 2.925 0.020 . 2 . . . . 32 CYS HB3 . 16872 1
348 . 1 1 32 32 CYS CA C 13 60.251 0.400 . 1 . . . . 32 CYS CA . 16872 1
349 . 1 1 32 32 CYS CB C 13 26.100 0.400 . 1 . . . . 32 CYS CB . 16872 1
350 . 1 1 32 32 CYS N N 15 120.601 0.400 . 1 . . . . 32 CYS N . 16872 1
351 . 1 1 33 33 VAL H H 1 7.080 0.020 . 1 . . . . 33 VAL H . 16872 1
352 . 1 1 33 33 VAL HA H 1 3.861 0.020 . 1 . . . . 33 VAL HA . 16872 1
353 . 1 1 33 33 VAL HB H 1 2.192 0.020 . 1 . . . . 33 VAL HB . 16872 1
354 . 1 1 33 33 VAL HG11 H 1 0.880 0.020 . 2 . . . . 33 VAL HG1 . 16872 1
355 . 1 1 33 33 VAL HG12 H 1 0.880 0.020 . 2 . . . . 33 VAL HG1 . 16872 1
356 . 1 1 33 33 VAL HG13 H 1 0.880 0.020 . 2 . . . . 33 VAL HG1 . 16872 1
357 . 1 1 33 33 VAL HG21 H 1 0.997 0.020 . 2 . . . . 33 VAL HG2 . 16872 1
358 . 1 1 33 33 VAL HG22 H 1 0.997 0.020 . 2 . . . . 33 VAL HG2 . 16872 1
359 . 1 1 33 33 VAL HG23 H 1 0.997 0.020 . 2 . . . . 33 VAL HG2 . 16872 1
360 . 1 1 33 33 VAL CA C 13 63.438 0.400 . 1 . . . . 33 VAL CA . 16872 1
361 . 1 1 33 33 VAL CB C 13 29.627 0.400 . 1 . . . . 33 VAL CB . 16872 1
362 . 1 1 33 33 VAL CG1 C 13 19.352 0.400 . 1 . . . . 33 VAL CG1 . 16872 1
363 . 1 1 33 33 VAL CG2 C 13 18.747 0.400 . 1 . . . . 33 VAL CG2 . 16872 1
364 . 1 1 33 33 VAL N N 15 117.475 0.400 . 1 . . . . 33 VAL N . 16872 1
365 . 1 1 34 34 SER H H 1 8.322 0.020 . 1 . . . . 34 SER H . 16872 1
366 . 1 1 34 34 SER HA H 1 4.138 0.020 . 1 . . . . 34 SER HA . 16872 1
367 . 1 1 34 34 SER HB2 H 1 3.913 0.020 . 2 . . . . 34 SER HB2 . 16872 1
368 . 1 1 34 34 SER HB3 H 1 3.855 0.020 . 2 . . . . 34 SER HB3 . 16872 1
369 . 1 1 34 34 SER CA C 13 59.233 0.400 . 1 . . . . 34 SER CA . 16872 1
370 . 1 1 34 34 SER CB C 13 60.426 0.400 . 1 . . . . 34 SER CB . 16872 1
371 . 1 1 34 34 SER N N 15 116.358 0.400 . 1 . . . . 34 SER N . 16872 1
372 . 1 1 35 35 GLU H H 1 7.625 0.020 . 1 . . . . 35 GLU H . 16872 1
373 . 1 1 35 35 GLU HA H 1 4.307 0.020 . 1 . . . . 35 GLU HA . 16872 1
374 . 1 1 35 35 GLU HB2 H 1 2.322 0.020 . 2 . . . . 35 GLU HB2 . 16872 1
375 . 1 1 35 35 GLU HB3 H 1 1.576 0.020 . 2 . . . . 35 GLU HB3 . 16872 1
376 . 1 1 35 35 GLU HG2 H 1 2.333 0.020 . 2 . . . . 35 GLU HG2 . 16872 1
377 . 1 1 35 35 GLU HG3 H 1 2.175 0.020 . 2 . . . . 35 GLU HG3 . 16872 1
378 . 1 1 35 35 GLU CA C 13 53.397 0.400 . 1 . . . . 35 GLU CA . 16872 1
379 . 1 1 35 35 GLU CB C 13 27.071 0.400 . 1 . . . . 35 GLU CB . 16872 1
380 . 1 1 35 35 GLU CG C 13 34.239 0.400 . 1 . . . . 35 GLU CG . 16872 1
381 . 1 1 35 35 GLU N N 15 116.883 0.400 . 1 . . . . 35 GLU N . 16872 1
382 . 1 1 36 36 ASN H H 1 7.724 0.020 . 1 . . . . 36 ASN H . 16872 1
383 . 1 1 36 36 ASN HA H 1 4.467 0.020 . 1 . . . . 36 ASN HA . 16872 1
384 . 1 1 36 36 ASN HB2 H 1 3.037 0.020 . 2 . . . . 36 ASN HB2 . 16872 1
385 . 1 1 36 36 ASN HB3 H 1 2.742 0.020 . 2 . . . . 36 ASN HB3 . 16872 1
386 . 1 1 36 36 ASN HD21 H 1 7.508 0.020 . 2 . . . . 36 ASN HD21 . 16872 1
387 . 1 1 36 36 ASN HD22 H 1 6.749 0.020 . 2 . . . . 36 ASN HD22 . 16872 1
388 . 1 1 36 36 ASN CA C 13 52.024 0.400 . 1 . . . . 36 ASN CA . 16872 1
389 . 1 1 36 36 ASN CB C 13 34.554 0.400 . 1 . . . . 36 ASN CB . 16872 1
390 . 1 1 36 36 ASN N N 15 116.251 0.400 . 1 . . . . 36 ASN N . 16872 1
391 . 1 1 36 36 ASN ND2 N 15 112.865 0.400 . 1 . . . . 36 ASN ND2 . 16872 1
392 . 1 1 37 37 HIS H H 1 8.390 0.020 . 1 . . . . 37 HIS H . 16872 1
393 . 1 1 37 37 HIS HA H 1 4.442 0.020 . 1 . . . . 37 HIS HA . 16872 1
394 . 1 1 37 37 HIS HB2 H 1 3.469 0.020 . 2 . . . . 37 HIS HB2 . 16872 1
395 . 1 1 37 37 HIS HB3 H 1 2.857 0.020 . 2 . . . . 37 HIS HB3 . 16872 1
396 . 1 1 37 37 HIS HD2 H 1 6.804 0.020 . 1 . . . . 37 HIS HD2 . 16872 1
397 . 1 1 37 37 HIS HE1 H 1 8.373 0.020 . 1 . . . . 37 HIS HE1 . 16872 1
398 . 1 1 37 37 HIS CA C 13 53.179 0.400 . 1 . . . . 37 HIS CA . 16872 1
399 . 1 1 37 37 HIS CB C 13 31.457 0.400 . 1 . . . . 37 HIS CB . 16872 1
400 . 1 1 37 37 HIS N N 15 116.048 0.400 . 1 . . . . 37 HIS N . 16872 1
401 . 1 1 38 38 ASP H H 1 7.685 0.020 . 1 . . . . 38 ASP H . 16872 1
402 . 1 1 38 38 ASP HA H 1 4.559 0.020 . 1 . . . . 38 ASP HA . 16872 1
403 . 1 1 38 38 ASP HB2 H 1 2.690 0.020 . 2 . . . . 38 ASP HB2 . 16872 1
404 . 1 1 38 38 ASP HB3 H 1 2.431 0.020 . 2 . . . . 38 ASP HB3 . 16872 1
405 . 1 1 38 38 ASP CA C 13 50.653 0.400 . 1 . . . . 38 ASP CA . 16872 1
406 . 1 1 38 38 ASP CB C 13 38.290 0.400 . 1 . . . . 38 ASP CB . 16872 1
407 . 1 1 38 38 ASP N N 15 118.510 0.400 . 1 . . . . 38 ASP N . 16872 1
408 . 1 1 39 39 PHE H H 1 7.706 0.020 . 1 . . . . 39 PHE H . 16872 1
409 . 1 1 39 39 PHE HA H 1 5.688 0.020 . 1 . . . . 39 PHE HA . 16872 1
410 . 1 1 39 39 PHE HB2 H 1 2.773 0.020 . 2 . . . . 39 PHE HB2 . 16872 1
411 . 1 1 39 39 PHE HB3 H 1 2.709 0.020 . 2 . . . . 39 PHE HB3 . 16872 1
412 . 1 1 39 39 PHE HD1 H 1 6.828 0.020 . 1 . . . . 39 PHE HD1 . 16872 1
413 . 1 1 39 39 PHE HD2 H 1 6.828 0.020 . 1 . . . . 39 PHE HD2 . 16872 1
414 . 1 1 39 39 PHE HE1 H 1 7.312 0.020 . 1 . . . . 39 PHE HE1 . 16872 1
415 . 1 1 39 39 PHE HE2 H 1 7.312 0.020 . 1 . . . . 39 PHE HE2 . 16872 1
416 . 1 1 39 39 PHE HZ H 1 7.106 0.020 . 1 . . . . 39 PHE HZ . 16872 1
417 . 1 1 39 39 PHE CA C 13 52.559 0.400 . 1 . . . . 39 PHE CA . 16872 1
418 . 1 1 39 39 PHE CB C 13 39.134 0.400 . 1 . . . . 39 PHE CB . 16872 1
419 . 1 1 39 39 PHE N N 15 121.121 0.400 . 1 . . . . 39 PHE N . 16872 1
420 . 1 1 40 40 HIS H H 1 8.713 0.020 . 1 . . . . 40 HIS H . 16872 1
421 . 1 1 40 40 HIS HA H 1 5.013 0.020 . 1 . . . . 40 HIS HA . 16872 1
422 . 1 1 40 40 HIS HB2 H 1 3.129 0.020 . 2 . . . . 40 HIS HB2 . 16872 1
423 . 1 1 40 40 HIS HB3 H 1 3.008 0.020 . 2 . . . . 40 HIS HB3 . 16872 1
424 . 1 1 40 40 HIS HD2 H 1 6.862 0.020 . 1 . . . . 40 HIS HD2 . 16872 1
425 . 1 1 40 40 HIS CA C 13 52.260 0.400 . 1 . . . . 40 HIS CA . 16872 1
426 . 1 1 40 40 HIS CB C 13 30.323 0.400 . 1 . . . . 40 HIS CB . 16872 1
427 . 1 1 40 40 HIS N N 15 118.652 0.400 . 1 . . . . 40 HIS N . 16872 1
428 . 1 1 41 41 TRP H H 1 9.159 0.020 . 1 . . . . 41 TRP H . 16872 1
429 . 1 1 41 41 TRP HA H 1 5.250 0.020 . 1 . . . . 41 TRP HA . 16872 1
430 . 1 1 41 41 TRP HB2 H 1 3.098 0.020 . 2 . . . . 41 TRP HB2 . 16872 1
431 . 1 1 41 41 TRP HB3 H 1 3.098 0.020 . 2 . . . . 41 TRP HB3 . 16872 1
432 . 1 1 41 41 TRP HD1 H 1 7.336 0.020 . 1 . . . . 41 TRP HD1 . 16872 1
433 . 1 1 41 41 TRP HE1 H 1 10.227 0.020 . 1 . . . . 41 TRP HE1 . 16872 1
434 . 1 1 41 41 TRP HE3 H 1 7.352 0.020 . 1 . . . . 41 TRP HE3 . 16872 1
435 . 1 1 41 41 TRP HH2 H 1 7.197 0.020 . 1 . . . . 41 TRP HH2 . 16872 1
436 . 1 1 41 41 TRP HZ2 H 1 7.269 0.020 . 1 . . . . 41 TRP HZ2 . 16872 1
437 . 1 1 41 41 TRP HZ3 H 1 6.935 0.020 . 1 . . . . 41 TRP HZ3 . 16872 1
438 . 1 1 41 41 TRP CA C 13 54.763 0.400 . 1 . . . . 41 TRP CA . 16872 1
439 . 1 1 41 41 TRP CB C 13 27.981 0.400 . 1 . . . . 41 TRP CB . 16872 1
440 . 1 1 41 41 TRP CD1 C 13 124.940 0.400 . 1 . . . . 41 TRP CD1 . 16872 1
441 . 1 1 41 41 TRP N N 15 127.893 0.400 . 1 . . . . 41 TRP N . 16872 1
442 . 1 1 41 41 TRP NE1 N 15 128.912 0.400 . 1 . . . . 41 TRP NE1 . 16872 1
443 . 1 1 42 42 HIS H H 1 9.340 0.020 . 1 . . . . 42 HIS H . 16872 1
444 . 1 1 42 42 HIS HA H 1 4.863 0.020 . 1 . . . . 42 HIS HA . 16872 1
445 . 1 1 42 42 HIS HB2 H 1 3.302 0.020 . 2 . . . . 42 HIS HB2 . 16872 1
446 . 1 1 42 42 HIS HB3 H 1 3.302 0.020 . 2 . . . . 42 HIS HB3 . 16872 1
447 . 1 1 42 42 HIS HD2 H 1 6.708 0.020 . 1 . . . . 42 HIS HD2 . 16872 1
448 . 1 1 42 42 HIS CA C 13 52.517 0.400 . 1 . . . . 42 HIS CA . 16872 1
449 . 1 1 42 42 HIS CB C 13 27.118 0.400 . 1 . . . . 42 HIS CB . 16872 1
450 . 1 1 42 42 HIS N N 15 118.005 0.400 . 1 . . . . 42 HIS N . 16872 1
451 . 1 1 43 43 ASN H H 1 8.829 0.020 . 1 . . . . 43 ASN H . 16872 1
452 . 1 1 43 43 ASN HA H 1 5.406 0.020 . 1 . . . . 43 ASN HA . 16872 1
453 . 1 1 43 43 ASN HB2 H 1 2.850 0.020 . 2 . . . . 43 ASN HB2 . 16872 1
454 . 1 1 43 43 ASN HB3 H 1 2.824 0.020 . 2 . . . . 43 ASN HB3 . 16872 1
455 . 1 1 43 43 ASN HD21 H 1 7.566 0.020 . 2 . . . . 43 ASN HD21 . 16872 1
456 . 1 1 43 43 ASN HD22 H 1 6.941 0.020 . 2 . . . . 43 ASN HD22 . 16872 1
457 . 1 1 43 43 ASN CA C 13 51.143 0.400 . 1 . . . . 43 ASN CA . 16872 1
458 . 1 1 43 43 ASN CB C 13 37.233 0.400 . 1 . . . . 43 ASN CB . 16872 1
459 . 1 1 43 43 ASN N N 15 118.174 0.400 . 1 . . . . 43 ASN N . 16872 1
460 . 1 1 43 43 ASN ND2 N 15 113.267 0.400 . 1 . . . . 43 ASN ND2 . 16872 1
461 . 1 1 44 44 GLY H H 1 9.067 0.020 . 1 . . . . 44 GLY H . 16872 1
462 . 1 1 44 44 GLY HA2 H 1 4.480 0.020 . 2 . . . . 44 GLY HA2 . 16872 1
463 . 1 1 44 44 GLY HA3 H 1 3.437 0.020 . 2 . . . . 44 GLY HA3 . 16872 1
464 . 1 1 44 44 GLY CA C 13 41.925 0.400 . 1 . . . . 44 GLY CA . 16872 1
465 . 1 1 44 44 GLY N N 15 111.991 0.400 . 1 . . . . 44 GLY N . 16872 1
466 . 1 1 45 45 VAL H H 1 8.515 0.020 . 1 . . . . 45 VAL H . 16872 1
467 . 1 1 45 45 VAL HA H 1 4.449 0.020 . 1 . . . . 45 VAL HA . 16872 1
468 . 1 1 45 45 VAL HB H 1 1.726 0.020 . 1 . . . . 45 VAL HB . 16872 1
469 . 1 1 45 45 VAL HG11 H 1 0.759 0.020 . 2 . . . . 45 VAL HG1 . 16872 1
470 . 1 1 45 45 VAL HG12 H 1 0.759 0.020 . 2 . . . . 45 VAL HG1 . 16872 1
471 . 1 1 45 45 VAL HG13 H 1 0.759 0.020 . 2 . . . . 45 VAL HG1 . 16872 1
472 . 1 1 45 45 VAL HG21 H 1 0.682 0.020 . 2 . . . . 45 VAL HG2 . 16872 1
473 . 1 1 45 45 VAL HG22 H 1 0.682 0.020 . 2 . . . . 45 VAL HG2 . 16872 1
474 . 1 1 45 45 VAL HG23 H 1 0.682 0.020 . 2 . . . . 45 VAL HG2 . 16872 1
475 . 1 1 45 45 VAL CA C 13 59.278 0.400 . 1 . . . . 45 VAL CA . 16872 1
476 . 1 1 45 45 VAL CB C 13 32.684 0.400 . 1 . . . . 45 VAL CB . 16872 1
477 . 1 1 45 45 VAL CG1 C 13 18.614 0.400 . 1 . . . . 45 VAL CG1 . 16872 1
478 . 1 1 45 45 VAL CG2 C 13 19.285 0.400 . 1 . . . . 45 VAL CG2 . 16872 1
479 . 1 1 45 45 VAL N N 15 120.250 0.400 . 1 . . . . 45 VAL N . 16872 1
480 . 1 1 46 46 LYS H H 1 8.626 0.020 . 1 . . . . 46 LYS H . 16872 1
481 . 1 1 46 46 LYS HA H 1 4.280 0.020 . 1 . . . . 46 LYS HA . 16872 1
482 . 1 1 46 46 LYS HB2 H 1 1.597 0.020 . 2 . . . . 46 LYS HB2 . 16872 1
483 . 1 1 46 46 LYS HB3 H 1 1.471 0.020 . 2 . . . . 46 LYS HB3 . 16872 1
484 . 1 1 46 46 LYS HD2 H 1 1.558 0.020 . 2 . . . . 46 LYS HD2 . 16872 1
485 . 1 1 46 46 LYS HD3 H 1 1.558 0.020 . 2 . . . . 46 LYS HD3 . 16872 1
486 . 1 1 46 46 LYS HE2 H 1 2.810 0.020 . 2 . . . . 46 LYS HE2 . 16872 1
487 . 1 1 46 46 LYS HE3 H 1 2.635 0.020 . 2 . . . . 46 LYS HE3 . 16872 1
488 . 1 1 46 46 LYS HG2 H 1 1.213 0.020 . 2 . . . . 46 LYS HG2 . 16872 1
489 . 1 1 46 46 LYS HG3 H 1 1.023 0.020 . 2 . . . . 46 LYS HG3 . 16872 1
490 . 1 1 46 46 LYS CA C 13 53.307 0.400 . 1 . . . . 46 LYS CA . 16872 1
491 . 1 1 46 46 LYS CB C 13 31.990 0.400 . 1 . . . . 46 LYS CB . 16872 1
492 . 1 1 46 46 LYS CD C 13 27.719 0.400 . 1 . . . . 46 LYS CD . 16872 1
493 . 1 1 46 46 LYS CE C 13 39.691 0.400 . 1 . . . . 46 LYS CE . 16872 1
494 . 1 1 46 46 LYS CG C 13 22.723 0.400 . 1 . . . . 46 LYS CG . 16872 1
495 . 1 1 46 46 LYS N N 15 124.900 0.400 . 1 . . . . 46 LYS N . 16872 1
496 . 1 1 47 47 ARG H H 1 8.251 0.020 . 1 . . . . 47 ARG H . 16872 1
497 . 1 1 47 47 ARG HA H 1 4.283 0.020 . 1 . . . . 47 ARG HA . 16872 1
498 . 1 1 47 47 ARG HB2 H 1 1.695 0.020 . 2 . . . . 47 ARG HB2 . 16872 1
499 . 1 1 47 47 ARG HB3 H 1 1.354 0.020 . 2 . . . . 47 ARG HB3 . 16872 1
500 . 1 1 47 47 ARG HD2 H 1 3.182 0.020 . 2 . . . . 47 ARG HD2 . 16872 1
501 . 1 1 47 47 ARG HD3 H 1 2.902 0.020 . 2 . . . . 47 ARG HD3 . 16872 1
502 . 1 1 47 47 ARG HE H 1 7.247 0.020 . 1 . . . . 47 ARG HE . 16872 1
503 . 1 1 47 47 ARG HG2 H 1 1.394 0.020 . 2 . . . . 47 ARG HG2 . 16872 1
504 . 1 1 47 47 ARG HG3 H 1 1.394 0.020 . 2 . . . . 47 ARG HG3 . 16872 1
505 . 1 1 47 47 ARG CA C 13 52.671 0.400 . 1 . . . . 47 ARG CA . 16872 1
506 . 1 1 47 47 ARG CB C 13 31.458 0.400 . 1 . . . . 47 ARG CB . 16872 1
507 . 1 1 47 47 ARG CD C 13 41.447 0.400 . 1 . . . . 47 ARG CD . 16872 1
508 . 1 1 47 47 ARG CG C 13 26.964 0.400 . 1 . . . . 47 ARG CG . 16872 1
509 . 1 1 47 47 ARG N N 15 122.589 0.400 . 1 . . . . 47 ARG N . 16872 1
510 . 1 1 47 47 ARG NE N 15 85.374 0.400 . 1 . . . . 47 ARG NE . 16872 1
511 . 1 1 48 48 PHE H H 1 8.101 0.020 . 1 . . . . 48 PHE H . 16872 1
512 . 1 1 48 48 PHE HA H 1 4.871 0.020 . 1 . . . . 48 PHE HA . 16872 1
513 . 1 1 48 48 PHE HB2 H 1 2.806 0.020 . 2 . . . . 48 PHE HB2 . 16872 1
514 . 1 1 48 48 PHE HB3 H 1 2.806 0.020 . 2 . . . . 48 PHE HB3 . 16872 1
515 . 1 1 48 48 PHE HD1 H 1 7.107 0.020 . 1 . . . . 48 PHE HD1 . 16872 1
516 . 1 1 48 48 PHE HD2 H 1 7.107 0.020 . 1 . . . . 48 PHE HD2 . 16872 1
517 . 1 1 48 48 PHE HE1 H 1 7.080 0.020 . 1 . . . . 48 PHE HE1 . 16872 1
518 . 1 1 48 48 PHE HE2 H 1 7.080 0.020 . 1 . . . . 48 PHE HE2 . 16872 1
519 . 1 1 48 48 PHE HZ H 1 7.097 0.020 . 1 . . . . 48 PHE HZ . 16872 1
520 . 1 1 48 48 PHE CA C 13 54.630 0.400 . 1 . . . . 48 PHE CA . 16872 1
521 . 1 1 48 48 PHE CB C 13 38.623 0.400 . 1 . . . . 48 PHE CB . 16872 1
522 . 1 1 48 48 PHE N N 15 119.830 0.400 . 1 . . . . 48 PHE N . 16872 1
523 . 1 1 49 49 PHE H H 1 8.609 0.020 . 1 . . . . 49 PHE H . 16872 1
524 . 1 1 49 49 PHE HA H 1 5.457 0.020 . 1 . . . . 49 PHE HA . 16872 1
525 . 1 1 49 49 PHE HB2 H 1 2.918 0.020 . 2 . . . . 49 PHE HB2 . 16872 1
526 . 1 1 49 49 PHE HB3 H 1 2.142 0.020 . 2 . . . . 49 PHE HB3 . 16872 1
527 . 1 1 49 49 PHE HD1 H 1 6.666 0.020 . 1 . . . . 49 PHE HD1 . 16872 1
528 . 1 1 49 49 PHE HD2 H 1 6.666 0.020 . 1 . . . . 49 PHE HD2 . 16872 1
529 . 1 1 49 49 PHE HE1 H 1 7.137 0.020 . 1 . . . . 49 PHE HE1 . 16872 1
530 . 1 1 49 49 PHE HE2 H 1 7.137 0.020 . 1 . . . . 49 PHE HE2 . 16872 1
531 . 1 1 49 49 PHE HZ H 1 7.237 0.020 . 1 . . . . 49 PHE HZ . 16872 1
532 . 1 1 49 49 PHE CA C 13 54.132 0.400 . 1 . . . . 49 PHE CA . 16872 1
533 . 1 1 49 49 PHE CB C 13 42.258 0.400 . 1 . . . . 49 PHE CB . 16872 1
534 . 1 1 49 49 PHE N N 15 117.886 0.400 . 1 . . . . 49 PHE N . 16872 1
535 . 1 1 50 50 LYS H H 1 9.741 0.020 . 1 . . . . 50 LYS H . 16872 1
536 . 1 1 50 50 LYS HA H 1 5.542 0.020 . 1 . . . . 50 LYS HA . 16872 1
537 . 1 1 50 50 LYS HB2 H 1 1.701 0.020 . 2 . . . . 50 LYS HB2 . 16872 1
538 . 1 1 50 50 LYS HB3 H 1 1.701 0.020 . 2 . . . . 50 LYS HB3 . 16872 1
539 . 1 1 50 50 LYS HD2 H 1 1.689 0.020 . 2 . . . . 50 LYS HD2 . 16872 1
540 . 1 1 50 50 LYS HD3 H 1 1.689 0.020 . 2 . . . . 50 LYS HD3 . 16872 1
541 . 1 1 50 50 LYS HE2 H 1 2.905 0.020 . 2 . . . . 50 LYS HE2 . 16872 1
542 . 1 1 50 50 LYS HE3 H 1 2.905 0.020 . 2 . . . . 50 LYS HE3 . 16872 1
543 . 1 1 50 50 LYS HG2 H 1 1.506 0.020 . 2 . . . . 50 LYS HG2 . 16872 1
544 . 1 1 50 50 LYS HG3 H 1 1.311 0.020 . 2 . . . . 50 LYS HG3 . 16872 1
545 . 1 1 50 50 LYS CA C 13 52.245 0.400 . 1 . . . . 50 LYS CA . 16872 1
546 . 1 1 50 50 LYS CB C 13 35.083 0.400 . 1 . . . . 50 LYS CB . 16872 1
547 . 1 1 50 50 LYS CD C 13 27.392 0.400 . 1 . . . . 50 LYS CD . 16872 1
548 . 1 1 50 50 LYS CE C 13 39.477 0.400 . 1 . . . . 50 LYS CE . 16872 1
549 . 1 1 50 50 LYS CG C 13 21.717 0.400 . 1 . . . . 50 LYS CG . 16872 1
550 . 1 1 50 50 LYS N N 15 120.495 0.400 . 1 . . . . 50 LYS N . 16872 1
551 . 1 1 51 51 CYS H H 1 9.234 0.020 . 1 . . . . 51 CYS H . 16872 1
552 . 1 1 51 51 CYS HA H 1 4.532 0.020 . 1 . . . . 51 CYS HA . 16872 1
553 . 1 1 51 51 CYS HB2 H 1 2.714 0.020 . 2 . . . . 51 CYS HB2 . 16872 1
554 . 1 1 51 51 CYS HB3 H 1 2.230 0.020 . 2 . . . . 51 CYS HB3 . 16872 1
555 . 1 1 51 51 CYS CA C 13 53.590 0.400 . 1 . . . . 51 CYS CA . 16872 1
556 . 1 1 51 51 CYS CB C 13 30.005 0.400 . 1 . . . . 51 CYS CB . 16872 1
557 . 1 1 51 51 CYS N N 15 131.218 0.400 . 1 . . . . 51 CYS N . 16872 1
558 . 1 1 52 52 PRO HA H 1 4.271 0.020 . 1 . . . . 52 PRO HA . 16872 1
559 . 1 1 52 52 PRO HB2 H 1 2.312 0.020 . 2 . . . . 52 PRO HB2 . 16872 1
560 . 1 1 52 52 PRO HB3 H 1 1.737 0.020 . 2 . . . . 52 PRO HB3 . 16872 1
561 . 1 1 52 52 PRO HD2 H 1 4.353 0.020 . 2 . . . . 52 PRO HD2 . 16872 1
562 . 1 1 52 52 PRO HD3 H 1 3.714 0.020 . 2 . . . . 52 PRO HD3 . 16872 1
563 . 1 1 52 52 PRO HG2 H 1 1.912 0.020 . 2 . . . . 52 PRO HG2 . 16872 1
564 . 1 1 52 52 PRO HG3 H 1 1.861 0.020 . 2 . . . . 52 PRO HG3 . 16872 1
565 . 1 1 52 52 PRO CA C 13 63.207 0.400 . 1 . . . . 52 PRO CA . 16872 1
566 . 1 1 52 52 PRO CB C 13 30.077 0.400 . 1 . . . . 52 PRO CB . 16872 1
567 . 1 1 52 52 PRO CD C 13 50.907 0.400 . 1 . . . . 52 PRO CD . 16872 1
568 . 1 1 52 52 PRO CG C 13 25.301 0.400 . 1 . . . . 52 PRO CG . 16872 1
569 . 1 1 53 53 CYS H H 1 8.541 0.020 . 1 . . . . 53 CYS H . 16872 1
570 . 1 1 53 53 CYS HA H 1 4.451 0.020 . 1 . . . . 53 CYS HA . 16872 1
571 . 1 1 53 53 CYS HB2 H 1 3.259 0.020 . 2 . . . . 53 CYS HB2 . 16872 1
572 . 1 1 53 53 CYS HB3 H 1 2.887 0.020 . 2 . . . . 53 CYS HB3 . 16872 1
573 . 1 1 53 53 CYS CA C 13 58.020 0.400 . 1 . . . . 53 CYS CA . 16872 1
574 . 1 1 53 53 CYS CB C 13 27.912 0.400 . 1 . . . . 53 CYS CB . 16872 1
575 . 1 1 53 53 CYS N N 15 118.416 0.400 . 1 . . . . 53 CYS N . 16872 1
576 . 1 1 54 54 GLY H H 1 8.613 0.020 . 1 . . . . 54 GLY H . 16872 1
577 . 1 1 54 54 GLY HA2 H 1 4.703 0.020 . 2 . . . . 54 GLY HA2 . 16872 1
578 . 1 1 54 54 GLY HA3 H 1 3.502 0.020 . 2 . . . . 54 GLY HA3 . 16872 1
579 . 1 1 54 54 GLY CA C 13 42.471 0.400 . 1 . . . . 54 GLY CA . 16872 1
580 . 1 1 54 54 GLY N N 15 112.274 0.400 . 1 . . . . 54 GLY N . 16872 1
581 . 1 1 55 55 ASN H H 1 9.052 0.020 . 1 . . . . 55 ASN H . 16872 1
582 . 1 1 55 55 ASN HA H 1 4.711 0.020 . 1 . . . . 55 ASN HA . 16872 1
583 . 1 1 55 55 ASN HB2 H 1 2.979 0.020 . 2 . . . . 55 ASN HB2 . 16872 1
584 . 1 1 55 55 ASN HB3 H 1 2.752 0.020 . 2 . . . . 55 ASN HB3 . 16872 1
585 . 1 1 55 55 ASN HD21 H 1 8.474 0.020 . 2 . . . . 55 ASN HD21 . 16872 1
586 . 1 1 55 55 ASN HD22 H 1 6.954 0.020 . 2 . . . . 55 ASN HD22 . 16872 1
587 . 1 1 55 55 ASN CA C 13 51.827 0.400 . 1 . . . . 55 ASN CA . 16872 1
588 . 1 1 55 55 ASN CB C 13 37.681 0.400 . 1 . . . . 55 ASN CB . 16872 1
589 . 1 1 55 55 ASN N N 15 123.907 0.400 . 1 . . . . 55 ASN N . 16872 1
590 . 1 1 55 55 ASN ND2 N 15 117.030 0.400 . 1 . . . . 55 ASN ND2 . 16872 1
591 . 1 1 56 56 ARG H H 1 7.832 0.020 . 1 . . . . 56 ARG H . 16872 1
592 . 1 1 56 56 ARG HA H 1 5.638 0.020 . 1 . . . . 56 ARG HA . 16872 1
593 . 1 1 56 56 ARG HB2 H 1 2.085 0.020 . 2 . . . . 56 ARG HB2 . 16872 1
594 . 1 1 56 56 ARG HB3 H 1 1.769 0.020 . 2 . . . . 56 ARG HB3 . 16872 1
595 . 1 1 56 56 ARG HD2 H 1 3.211 0.020 . 2 . . . . 56 ARG HD2 . 16872 1
596 . 1 1 56 56 ARG HD3 H 1 3.211 0.020 . 2 . . . . 56 ARG HD3 . 16872 1
597 . 1 1 56 56 ARG HE H 1 7.433 0.020 . 1 . . . . 56 ARG HE . 16872 1
598 . 1 1 56 56 ARG HG2 H 1 1.833 0.020 . 2 . . . . 56 ARG HG2 . 16872 1
599 . 1 1 56 56 ARG HG3 H 1 1.666 0.020 . 2 . . . . 56 ARG HG3 . 16872 1
600 . 1 1 56 56 ARG CA C 13 52.486 0.400 . 1 . . . . 56 ARG CA . 16872 1
601 . 1 1 56 56 ARG CB C 13 32.251 0.400 . 1 . . . . 56 ARG CB . 16872 1
602 . 1 1 56 56 ARG CD C 13 41.376 0.400 . 1 . . . . 56 ARG CD . 16872 1
603 . 1 1 56 56 ARG CG C 13 26.013 0.400 . 1 . . . . 56 ARG CG . 16872 1
604 . 1 1 56 56 ARG N N 15 121.146 0.400 . 1 . . . . 56 ARG N . 16872 1
605 . 1 1 56 56 ARG NE N 15 85.430 0.400 . 1 . . . . 56 ARG NE . 16872 1
606 . 1 1 57 57 THR H H 1 8.655 0.020 . 1 . . . . 57 THR H . 16872 1
607 . 1 1 57 57 THR HA H 1 4.698 0.020 . 1 . . . . 57 THR HA . 16872 1
608 . 1 1 57 57 THR HB H 1 3.689 0.020 . 1 . . . . 57 THR HB . 16872 1
609 . 1 1 57 57 THR HG21 H 1 -0.159 0.020 . 1 . . . . 57 THR HG2 . 16872 1
610 . 1 1 57 57 THR HG22 H 1 -0.159 0.020 . 1 . . . . 57 THR HG2 . 16872 1
611 . 1 1 57 57 THR HG23 H 1 -0.159 0.020 . 1 . . . . 57 THR HG2 . 16872 1
612 . 1 1 57 57 THR CA C 13 58.223 0.400 . 1 . . . . 57 THR CA . 16872 1
613 . 1 1 57 57 THR CB C 13 68.389 0.400 . 1 . . . . 57 THR CB . 16872 1
614 . 1 1 57 57 THR CG2 C 13 15.647 0.400 . 1 . . . . 57 THR CG2 . 16872 1
615 . 1 1 57 57 THR N N 15 114.145 0.400 . 1 . . . . 57 THR N . 16872 1
616 . 1 1 58 58 ILE H H 1 7.789 0.020 . 1 . . . . 58 ILE H . 16872 1
617 . 1 1 58 58 ILE HA H 1 5.142 0.020 . 1 . . . . 58 ILE HA . 16872 1
618 . 1 1 58 58 ILE HB H 1 1.524 0.020 . 1 . . . . 58 ILE HB . 16872 1
619 . 1 1 58 58 ILE HD11 H 1 0.669 0.020 . 1 . . . . 58 ILE HD1 . 16872 1
620 . 1 1 58 58 ILE HD12 H 1 0.669 0.020 . 1 . . . . 58 ILE HD1 . 16872 1
621 . 1 1 58 58 ILE HD13 H 1 0.669 0.020 . 1 . . . . 58 ILE HD1 . 16872 1
622 . 1 1 58 58 ILE HG12 H 1 1.381 0.020 . 2 . . . . 58 ILE HG12 . 16872 1
623 . 1 1 58 58 ILE HG13 H 1 0.844 0.020 . 2 . . . . 58 ILE HG13 . 16872 1
624 . 1 1 58 58 ILE HG21 H 1 0.649 0.020 . 1 . . . . 58 ILE HG2 . 16872 1
625 . 1 1 58 58 ILE HG22 H 1 0.649 0.020 . 1 . . . . 58 ILE HG2 . 16872 1
626 . 1 1 58 58 ILE HG23 H 1 0.649 0.020 . 1 . . . . 58 ILE HG2 . 16872 1
627 . 1 1 58 58 ILE CA C 13 56.965 0.400 . 1 . . . . 58 ILE CA . 16872 1
628 . 1 1 58 58 ILE CB C 13 39.359 0.400 . 1 . . . . 58 ILE CB . 16872 1
629 . 1 1 58 58 ILE CD1 C 13 11.880 0.400 . 1 . . . . 58 ILE CD1 . 16872 1
630 . 1 1 58 58 ILE CG1 C 13 24.587 0.400 . 1 . . . . 58 ILE CG1 . 16872 1
631 . 1 1 58 58 ILE CG2 C 13 15.862 0.400 . 1 . . . . 58 ILE CG2 . 16872 1
632 . 1 1 58 58 ILE N N 15 120.842 0.400 . 1 . . . . 58 ILE N . 16872 1
633 . 1 1 59 59 SER H H 1 8.823 0.020 . 1 . . . . 59 SER H . 16872 1
634 . 1 1 59 59 SER HA H 1 4.674 0.020 . 1 . . . . 59 SER HA . 16872 1
635 . 1 1 59 59 SER HB2 H 1 3.408 0.020 . 2 . . . . 59 SER HB2 . 16872 1
636 . 1 1 59 59 SER HB3 H 1 3.351 0.020 . 2 . . . . 59 SER HB3 . 16872 1
637 . 1 1 59 59 SER CA C 13 54.776 0.400 . 1 . . . . 59 SER CA . 16872 1
638 . 1 1 59 59 SER CB C 13 63.403 0.400 . 1 . . . . 59 SER CB . 16872 1
639 . 1 1 59 59 SER N N 15 116.661 0.400 . 1 . . . . 59 SER N . 16872 1
640 . 1 1 60 60 LEU H H 1 8.572 0.020 . 1 . . . . 60 LEU H . 16872 1
641 . 1 1 60 60 LEU HA H 1 4.852 0.020 . 1 . . . . 60 LEU HA . 16872 1
642 . 1 1 60 60 LEU HB2 H 1 1.437 0.020 . 2 . . . . 60 LEU HB2 . 16872 1
643 . 1 1 60 60 LEU HB3 H 1 1.391 0.020 . 2 . . . . 60 LEU HB3 . 16872 1
644 . 1 1 60 60 LEU HD11 H 1 0.395 0.020 . 2 . . . . 60 LEU HD1 . 16872 1
645 . 1 1 60 60 LEU HD12 H 1 0.395 0.020 . 2 . . . . 60 LEU HD1 . 16872 1
646 . 1 1 60 60 LEU HD13 H 1 0.395 0.020 . 2 . . . . 60 LEU HD1 . 16872 1
647 . 1 1 60 60 LEU HD21 H 1 0.160 0.020 . 2 . . . . 60 LEU HD2 . 16872 1
648 . 1 1 60 60 LEU HD22 H 1 0.160 0.020 . 2 . . . . 60 LEU HD2 . 16872 1
649 . 1 1 60 60 LEU HD23 H 1 0.160 0.020 . 2 . . . . 60 LEU HD2 . 16872 1
650 . 1 1 60 60 LEU HG H 1 1.211 0.020 . 1 . . . . 60 LEU HG . 16872 1
651 . 1 1 60 60 LEU CA C 13 52.603 0.400 . 1 . . . . 60 LEU CA . 16872 1
652 . 1 1 60 60 LEU CB C 13 39.614 0.400 . 1 . . . . 60 LEU CB . 16872 1
653 . 1 1 60 60 LEU CD1 C 13 20.896 0.400 . 1 . . . . 60 LEU CD1 . 16872 1
654 . 1 1 60 60 LEU CD2 C 13 22.412 0.400 . 1 . . . . 60 LEU CD2 . 16872 1
655 . 1 1 60 60 LEU CG C 13 24.684 0.400 . 1 . . . . 60 LEU CG . 16872 1
656 . 1 1 60 60 LEU N N 15 125.220 0.400 . 1 . . . . 60 LEU N . 16872 1
657 . 1 1 61 61 ASP H H 1 8.413 0.020 . 1 . . . . 61 ASP H . 16872 1
658 . 1 1 61 61 ASP HA H 1 4.726 0.020 . 1 . . . . 61 ASP HA . 16872 1
659 . 1 1 61 61 ASP HB2 H 1 2.785 0.020 . 2 . . . . 61 ASP HB2 . 16872 1
660 . 1 1 61 61 ASP HB3 H 1 2.443 0.020 . 2 . . . . 61 ASP HB3 . 16872 1
661 . 1 1 61 61 ASP CA C 13 51.013 0.400 . 1 . . . . 61 ASP CA . 16872 1
662 . 1 1 61 61 ASP CB C 13 41.132 0.400 . 1 . . . . 61 ASP CB . 16872 1
663 . 1 1 61 61 ASP N N 15 120.534 0.400 . 1 . . . . 61 ASP N . 16872 1
664 . 1 1 62 62 ARG H H 1 8.517 0.020 . 1 . . . . 62 ARG H . 16872 1
665 . 1 1 62 62 ARG HA H 1 3.824 0.020 . 1 . . . . 62 ARG HA . 16872 1
666 . 1 1 62 62 ARG HB2 H 1 1.775 0.020 . 2 . . . . 62 ARG HB2 . 16872 1
667 . 1 1 62 62 ARG HB3 H 1 1.775 0.020 . 2 . . . . 62 ARG HB3 . 16872 1
668 . 1 1 62 62 ARG HD2 H 1 3.174 0.020 . 2 . . . . 62 ARG HD2 . 16872 1
669 . 1 1 62 62 ARG HD3 H 1 3.174 0.020 . 2 . . . . 62 ARG HD3 . 16872 1
670 . 1 1 62 62 ARG HG2 H 1 1.656 0.020 . 2 . . . . 62 ARG HG2 . 16872 1
671 . 1 1 62 62 ARG HG3 H 1 1.545 0.020 . 2 . . . . 62 ARG HG3 . 16872 1
672 . 1 1 62 62 ARG CA C 13 56.511 0.400 . 1 . . . . 62 ARG CA . 16872 1
673 . 1 1 62 62 ARG CB C 13 27.922 0.400 . 1 . . . . 62 ARG CB . 16872 1
674 . 1 1 62 62 ARG CD C 13 40.931 0.400 . 1 . . . . 62 ARG CD . 16872 1
675 . 1 1 62 62 ARG CG C 13 25.669 0.400 . 1 . . . . 62 ARG CG . 16872 1
676 . 1 1 62 62 ARG N N 15 117.517 0.400 . 1 . . . . 62 ARG N . 16872 1
677 . 1 1 63 63 LEU H H 1 7.136 0.020 . 1 . . . . 63 LEU H . 16872 1
678 . 1 1 63 63 LEU HA H 1 4.071 0.020 . 1 . . . . 63 LEU HA . 16872 1
679 . 1 1 63 63 LEU HB2 H 1 1.334 0.020 . 2 . . . . 63 LEU HB2 . 16872 1
680 . 1 1 63 63 LEU HB3 H 1 1.334 0.020 . 2 . . . . 63 LEU HB3 . 16872 1
681 . 1 1 63 63 LEU HD11 H 1 0.893 0.020 . 2 . . . . 63 LEU HD1 . 16872 1
682 . 1 1 63 63 LEU HD12 H 1 0.893 0.020 . 2 . . . . 63 LEU HD1 . 16872 1
683 . 1 1 63 63 LEU HD13 H 1 0.893 0.020 . 2 . . . . 63 LEU HD1 . 16872 1
684 . 1 1 63 63 LEU HD21 H 1 0.930 0.020 . 2 . . . . 63 LEU HD2 . 16872 1
685 . 1 1 63 63 LEU HD22 H 1 0.930 0.020 . 2 . . . . 63 LEU HD2 . 16872 1
686 . 1 1 63 63 LEU HD23 H 1 0.930 0.020 . 2 . . . . 63 LEU HD2 . 16872 1
687 . 1 1 63 63 LEU HG H 1 1.533 0.020 . 1 . . . . 63 LEU HG . 16872 1
688 . 1 1 63 63 LEU CA C 13 49.896 0.400 . 1 . . . . 63 LEU CA . 16872 1
689 . 1 1 63 63 LEU CB C 13 43.165 0.400 . 1 . . . . 63 LEU CB . 16872 1
690 . 1 1 63 63 LEU CD1 C 13 22.915 0.400 . 1 . . . . 63 LEU CD1 . 16872 1
691 . 1 1 63 63 LEU CD2 C 13 22.190 0.400 . 1 . . . . 63 LEU CD2 . 16872 1
692 . 1 1 63 63 LEU N N 15 115.871 0.400 . 1 . . . . 63 LEU N . 16872 1
693 . 1 1 64 64 PRO HA H 1 4.040 0.020 . 1 . . . . 64 PRO HA . 16872 1
694 . 1 1 64 64 PRO HB2 H 1 1.690 0.020 . 2 . . . . 64 PRO HB2 . 16872 1
695 . 1 1 64 64 PRO HB3 H 1 0.927 0.020 . 2 . . . . 64 PRO HB3 . 16872 1
696 . 1 1 64 64 PRO HD2 H 1 2.160 0.020 . 2 . . . . 64 PRO HD2 . 16872 1
697 . 1 1 64 64 PRO HD3 H 1 1.216 0.020 . 2 . . . . 64 PRO HD3 . 16872 1
698 . 1 1 64 64 PRO HG2 H 1 0.055 0.020 . 2 . . . . 64 PRO HG2 . 16872 1
699 . 1 1 64 64 PRO HG3 H 1 -0.402 0.020 . 2 . . . . 64 PRO HG3 . 16872 1
700 . 1 1 64 64 PRO CA C 13 59.989 0.400 . 1 . . . . 64 PRO CA . 16872 1
701 . 1 1 64 64 PRO CB C 13 29.080 0.400 . 1 . . . . 64 PRO CB . 16872 1
702 . 1 1 64 64 PRO CD C 13 46.976 0.400 . 1 . . . . 64 PRO CD . 16872 1
703 . 1 1 64 64 PRO CG C 13 25.632 0.400 . 1 . . . . 64 PRO CG . 16872 1
704 . 1 1 65 65 LYS H H 1 8.262 0.020 . 1 . . . . 65 LYS H . 16872 1
705 . 1 1 65 65 LYS HA H 1 4.351 0.020 . 1 . . . . 65 LYS HA . 16872 1
706 . 1 1 65 65 LYS HB2 H 1 1.893 0.020 . 2 . . . . 65 LYS HB2 . 16872 1
707 . 1 1 65 65 LYS HB3 H 1 1.893 0.020 . 2 . . . . 65 LYS HB3 . 16872 1
708 . 1 1 65 65 LYS HD2 H 1 1.735 0.020 . 2 . . . . 65 LYS HD2 . 16872 1
709 . 1 1 65 65 LYS HD3 H 1 1.675 0.020 . 2 . . . . 65 LYS HD3 . 16872 1
710 . 1 1 65 65 LYS HE2 H 1 2.975 0.020 . 2 . . . . 65 LYS HE2 . 16872 1
711 . 1 1 65 65 LYS HE3 H 1 2.975 0.020 . 2 . . . . 65 LYS HE3 . 16872 1
712 . 1 1 65 65 LYS HG2 H 1 1.517 0.020 . 2 . . . . 65 LYS HG2 . 16872 1
713 . 1 1 65 65 LYS HG3 H 1 1.425 0.020 . 2 . . . . 65 LYS HG3 . 16872 1
714 . 1 1 65 65 LYS CA C 13 54.268 0.400 . 1 . . . . 65 LYS CA . 16872 1
715 . 1 1 65 65 LYS CB C 13 31.336 0.400 . 1 . . . . 65 LYS CB . 16872 1
716 . 1 1 65 65 LYS CD C 13 26.573 0.400 . 1 . . . . 65 LYS CD . 16872 1
717 . 1 1 65 65 LYS CE C 13 39.888 0.400 . 1 . . . . 65 LYS CE . 16872 1
718 . 1 1 65 65 LYS CG C 13 22.921 0.400 . 1 . . . . 65 LYS CG . 16872 1
719 . 1 1 65 65 LYS N N 15 118.821 0.400 . 1 . . . . 65 LYS N . 16872 1
720 . 1 1 66 66 LYS H H 1 7.517 0.020 . 1 . . . . 66 LYS H . 16872 1
721 . 1 1 66 66 LYS HA H 1 4.745 0.020 . 1 . . . . 66 LYS HA . 16872 1
722 . 1 1 66 66 LYS HB2 H 1 2.028 0.020 . 2 . . . . 66 LYS HB2 . 16872 1
723 . 1 1 66 66 LYS HB3 H 1 1.840 0.020 . 2 . . . . 66 LYS HB3 . 16872 1
724 . 1 1 66 66 LYS HD2 H 1 1.704 0.020 . 2 . . . . 66 LYS HD2 . 16872 1
725 . 1 1 66 66 LYS HD3 H 1 1.704 0.020 . 2 . . . . 66 LYS HD3 . 16872 1
726 . 1 1 66 66 LYS HE2 H 1 2.977 0.020 . 2 . . . . 66 LYS HE2 . 16872 1
727 . 1 1 66 66 LYS HE3 H 1 2.977 0.020 . 2 . . . . 66 LYS HE3 . 16872 1
728 . 1 1 66 66 LYS HG2 H 1 1.460 0.020 . 2 . . . . 66 LYS HG2 . 16872 1
729 . 1 1 66 66 LYS HG3 H 1 1.392 0.020 . 2 . . . . 66 LYS HG3 . 16872 1
730 . 1 1 66 66 LYS CA C 13 52.588 0.400 . 1 . . . . 66 LYS CA . 16872 1
731 . 1 1 66 66 LYS CB C 13 33.168 0.400 . 1 . . . . 66 LYS CB . 16872 1
732 . 1 1 66 66 LYS CD C 13 26.758 0.400 . 1 . . . . 66 LYS CD . 16872 1
733 . 1 1 66 66 LYS CE C 13 39.987 0.400 . 1 . . . . 66 LYS CE . 16872 1
734 . 1 1 66 66 LYS CG C 13 22.598 0.400 . 1 . . . . 66 LYS CG . 16872 1
735 . 1 1 66 66 LYS N N 15 116.533 0.400 . 1 . . . . 66 LYS N . 16872 1
736 . 1 1 67 67 HIS H H 1 8.729 0.020 . 1 . . . . 67 HIS H . 16872 1
737 . 1 1 67 67 HIS HA H 1 4.545 0.020 . 1 . . . . 67 HIS HA . 16872 1
738 . 1 1 67 67 HIS HB2 H 1 2.985 0.020 . 2 . . . . 67 HIS HB2 . 16872 1
739 . 1 1 67 67 HIS HB3 H 1 2.866 0.020 . 2 . . . . 67 HIS HB3 . 16872 1
740 . 1 1 67 67 HIS HD2 H 1 7.138 0.020 . 1 . . . . 67 HIS HD2 . 16872 1
741 . 1 1 67 67 HIS CA C 13 53.764 0.400 . 1 . . . . 67 HIS CA . 16872 1
742 . 1 1 67 67 HIS CB C 13 27.389 0.400 . 1 . . . . 67 HIS CB . 16872 1
743 . 1 1 67 67 HIS N N 15 117.795 0.400 . 1 . . . . 67 HIS N . 16872 1
744 . 1 1 68 68 CYS H H 1 8.929 0.020 . 1 . . . . 68 CYS H . 16872 1
745 . 1 1 68 68 CYS HA H 1 4.508 0.020 . 1 . . . . 68 CYS HA . 16872 1
746 . 1 1 68 68 CYS HB2 H 1 2.877 0.020 . 2 . . . . 68 CYS HB2 . 16872 1
747 . 1 1 68 68 CYS HB3 H 1 2.215 0.020 . 2 . . . . 68 CYS HB3 . 16872 1
748 . 1 1 68 68 CYS CA C 13 58.300 0.400 . 1 . . . . 68 CYS CA . 16872 1
749 . 1 1 68 68 CYS CB C 13 28.636 0.400 . 1 . . . . 68 CYS CB . 16872 1
750 . 1 1 68 68 CYS N N 15 123.657 0.400 . 1 . . . . 68 CYS N . 16872 1
751 . 1 1 69 69 SER H H 1 9.344 0.020 . 1 . . . . 69 SER H . 16872 1
752 . 1 1 69 69 SER HA H 1 4.240 0.020 . 1 . . . . 69 SER HA . 16872 1
753 . 1 1 69 69 SER HB2 H 1 4.123 0.020 . 2 . . . . 69 SER HB2 . 16872 1
754 . 1 1 69 69 SER HB3 H 1 4.044 0.020 . 2 . . . . 69 SER HB3 . 16872 1
755 . 1 1 69 69 SER CA C 13 58.419 0.400 . 1 . . . . 69 SER CA . 16872 1
756 . 1 1 69 69 SER CB C 13 61.010 0.400 . 1 . . . . 69 SER CB . 16872 1
757 . 1 1 69 69 SER N N 15 126.969 0.400 . 1 . . . . 69 SER N . 16872 1
758 . 1 1 70 70 THR H H 1 9.349 0.020 . 1 . . . . 70 THR H . 16872 1
759 . 1 1 70 70 THR HA H 1 4.274 0.020 . 1 . . . . 70 THR HA . 16872 1
760 . 1 1 70 70 THR HB H 1 4.235 0.020 . 1 . . . . 70 THR HB . 16872 1
761 . 1 1 70 70 THR HG21 H 1 1.134 0.020 . 1 . . . . 70 THR HG2 . 16872 1
762 . 1 1 70 70 THR HG22 H 1 1.134 0.020 . 1 . . . . 70 THR HG2 . 16872 1
763 . 1 1 70 70 THR HG23 H 1 1.134 0.020 . 1 . . . . 70 THR HG2 . 16872 1
764 . 1 1 70 70 THR CA C 13 63.349 0.400 . 1 . . . . 70 THR CA . 16872 1
765 . 1 1 70 70 THR CB C 13 66.699 0.400 . 1 . . . . 70 THR CB . 16872 1
766 . 1 1 70 70 THR CG2 C 13 20.115 0.400 . 1 . . . . 70 THR CG2 . 16872 1
767 . 1 1 70 70 THR N N 15 122.394 0.400 . 1 . . . . 70 THR N . 16872 1
768 . 1 1 71 71 CYS H H 1 8.507 0.020 . 1 . . . . 71 CYS H . 16872 1
769 . 1 1 71 71 CYS HA H 1 4.926 0.020 . 1 . . . . 71 CYS HA . 16872 1
770 . 1 1 71 71 CYS HB2 H 1 3.051 0.020 . 2 . . . . 71 CYS HB2 . 16872 1
771 . 1 1 71 71 CYS HB3 H 1 2.473 0.020 . 2 . . . . 71 CYS HB3 . 16872 1
772 . 1 1 71 71 CYS CA C 13 56.473 0.400 . 1 . . . . 71 CYS CA . 16872 1
773 . 1 1 71 71 CYS CB C 13 30.288 0.400 . 1 . . . . 71 CYS CB . 16872 1
774 . 1 1 71 71 CYS N N 15 121.511 0.400 . 1 . . . . 71 CYS N . 16872 1
775 . 1 1 72 72 GLY H H 1 7.741 0.020 . 1 . . . . 72 GLY H . 16872 1
776 . 1 1 72 72 GLY HA2 H 1 4.220 0.020 . 2 . . . . 72 GLY HA2 . 16872 1
777 . 1 1 72 72 GLY HA3 H 1 3.810 0.020 . 2 . . . . 72 GLY HA3 . 16872 1
778 . 1 1 72 72 GLY CA C 13 43.950 0.400 . 1 . . . . 72 GLY CA . 16872 1
779 . 1 1 72 72 GLY N N 15 112.305 0.400 . 1 . . . . 72 GLY N . 16872 1
780 . 1 1 73 73 LEU H H 1 8.554 0.020 . 1 . . . . 73 LEU H . 16872 1
781 . 1 1 73 73 LEU HA H 1 4.278 0.020 . 1 . . . . 73 LEU HA . 16872 1
782 . 1 1 73 73 LEU HB2 H 1 1.705 0.020 . 2 . . . . 73 LEU HB2 . 16872 1
783 . 1 1 73 73 LEU HB3 H 1 0.968 0.020 . 2 . . . . 73 LEU HB3 . 16872 1
784 . 1 1 73 73 LEU HD11 H 1 0.731 0.020 . 2 . . . . 73 LEU HD1 . 16872 1
785 . 1 1 73 73 LEU HD12 H 1 0.731 0.020 . 2 . . . . 73 LEU HD1 . 16872 1
786 . 1 1 73 73 LEU HD13 H 1 0.731 0.020 . 2 . . . . 73 LEU HD1 . 16872 1
787 . 1 1 73 73 LEU HD21 H 1 0.768 0.020 . 2 . . . . 73 LEU HD2 . 16872 1
788 . 1 1 73 73 LEU HD22 H 1 0.768 0.020 . 2 . . . . 73 LEU HD2 . 16872 1
789 . 1 1 73 73 LEU HD23 H 1 0.768 0.020 . 2 . . . . 73 LEU HD2 . 16872 1
790 . 1 1 73 73 LEU HG H 1 1.809 0.020 . 1 . . . . 73 LEU HG . 16872 1
791 . 1 1 73 73 LEU CA C 13 53.144 0.400 . 1 . . . . 73 LEU CA . 16872 1
792 . 1 1 73 73 LEU CB C 13 41.181 0.400 . 1 . . . . 73 LEU CB . 16872 1
793 . 1 1 73 73 LEU CD1 C 13 23.474 0.400 . 1 . . . . 73 LEU CD1 . 16872 1
794 . 1 1 73 73 LEU CD2 C 13 19.890 0.400 . 1 . . . . 73 LEU CD2 . 16872 1
795 . 1 1 73 73 LEU CG C 13 24.766 0.400 . 1 . . . . 73 LEU CG . 16872 1
796 . 1 1 73 73 LEU N N 15 123.686 0.400 . 1 . . . . 73 LEU N . 16872 1
797 . 1 1 74 74 PHE H H 1 8.575 0.020 . 1 . . . . 74 PHE H . 16872 1
798 . 1 1 74 74 PHE HA H 1 4.188 0.020 . 1 . . . . 74 PHE HA . 16872 1
799 . 1 1 74 74 PHE HB2 H 1 3.058 0.020 . 2 . . . . 74 PHE HB2 . 16872 1
800 . 1 1 74 74 PHE HB3 H 1 1.457 0.020 . 2 . . . . 74 PHE HB3 . 16872 1
801 . 1 1 74 74 PHE HD1 H 1 7.068 0.020 . 1 . . . . 74 PHE HD1 . 16872 1
802 . 1 1 74 74 PHE HD2 H 1 7.068 0.020 . 1 . . . . 74 PHE HD2 . 16872 1
803 . 1 1 74 74 PHE HE1 H 1 7.239 0.020 . 1 . . . . 74 PHE HE1 . 16872 1
804 . 1 1 74 74 PHE HE2 H 1 7.239 0.020 . 1 . . . . 74 PHE HE2 . 16872 1
805 . 1 1 74 74 PHE HZ H 1 7.346 0.020 . 1 . . . . 74 PHE HZ . 16872 1
806 . 1 1 74 74 PHE CA C 13 54.144 0.400 . 1 . . . . 74 PHE CA . 16872 1
807 . 1 1 74 74 PHE CB C 13 35.945 0.400 . 1 . . . . 74 PHE CB . 16872 1
808 . 1 1 74 74 PHE N N 15 122.953 0.400 . 1 . . . . 74 PHE N . 16872 1
809 . 1 1 75 75 LYS H H 1 8.569 0.020 . 1 . . . . 75 LYS H . 16872 1
810 . 1 1 75 75 LYS HA H 1 4.424 0.020 . 1 . . . . 75 LYS HA . 16872 1
811 . 1 1 75 75 LYS HB2 H 1 1.879 0.020 . 2 . . . . 75 LYS HB2 . 16872 1
812 . 1 1 75 75 LYS HB3 H 1 1.088 0.020 . 2 . . . . 75 LYS HB3 . 16872 1
813 . 1 1 75 75 LYS HD2 H 1 1.627 0.020 . 2 . . . . 75 LYS HD2 . 16872 1
814 . 1 1 75 75 LYS HD3 H 1 1.627 0.020 . 2 . . . . 75 LYS HD3 . 16872 1
815 . 1 1 75 75 LYS HE2 H 1 2.912 0.020 . 2 . . . . 75 LYS HE2 . 16872 1
816 . 1 1 75 75 LYS HE3 H 1 2.912 0.020 . 2 . . . . 75 LYS HE3 . 16872 1
817 . 1 1 75 75 LYS HG2 H 1 1.301 0.020 . 2 . . . . 75 LYS HG2 . 16872 1
818 . 1 1 75 75 LYS HG3 H 1 1.250 0.020 . 2 . . . . 75 LYS HG3 . 16872 1
819 . 1 1 75 75 LYS CA C 13 51.641 0.400 . 1 . . . . 75 LYS CA . 16872 1
820 . 1 1 75 75 LYS CB C 13 31.273 0.400 . 1 . . . . 75 LYS CB . 16872 1
821 . 1 1 75 75 LYS CD C 13 26.628 0.400 . 1 . . . . 75 LYS CD . 16872 1
822 . 1 1 75 75 LYS CE C 13 39.710 0.400 . 1 . . . . 75 LYS CE . 16872 1
823 . 1 1 75 75 LYS CG C 13 22.798 0.400 . 1 . . . . 75 LYS CG . 16872 1
824 . 1 1 75 75 LYS N N 15 127.722 0.400 . 1 . . . . 75 LYS N . 16872 1
825 . 1 1 76 76 TRP H H 1 6.676 0.020 . 1 . . . . 76 TRP H . 16872 1
826 . 1 1 76 76 TRP HA H 1 4.396 0.020 . 1 . . . . 76 TRP HA . 16872 1
827 . 1 1 76 76 TRP HB2 H 1 2.820 0.020 . 2 . . . . 76 TRP HB2 . 16872 1
828 . 1 1 76 76 TRP HB3 H 1 2.506 0.020 . 2 . . . . 76 TRP HB3 . 16872 1
829 . 1 1 76 76 TRP HD1 H 1 5.959 0.020 . 1 . . . . 76 TRP HD1 . 16872 1
830 . 1 1 76 76 TRP HE1 H 1 10.150 0.020 . 1 . . . . 76 TRP HE1 . 16872 1
831 . 1 1 76 76 TRP HE3 H 1 7.146 0.020 . 1 . . . . 76 TRP HE3 . 16872 1
832 . 1 1 76 76 TRP HH2 H 1 7.143 0.020 . 1 . . . . 76 TRP HH2 . 16872 1
833 . 1 1 76 76 TRP HZ2 H 1 7.201 0.020 . 1 . . . . 76 TRP HZ2 . 16872 1
834 . 1 1 76 76 TRP HZ3 H 1 6.798 0.020 . 1 . . . . 76 TRP HZ3 . 16872 1
835 . 1 1 76 76 TRP CA C 13 54.227 0.400 . 1 . . . . 76 TRP CA . 16872 1
836 . 1 1 76 76 TRP CB C 13 29.053 0.400 . 1 . . . . 76 TRP CB . 16872 1
837 . 1 1 76 76 TRP CD1 C 13 124.861 0.400 . 1 . . . . 76 TRP CD1 . 16872 1
838 . 1 1 76 76 TRP N N 15 118.445 0.400 . 1 . . . . 76 TRP N . 16872 1
839 . 1 1 76 76 TRP NE1 N 15 128.580 0.400 . 1 . . . . 76 TRP NE1 . 16872 1
840 . 1 1 77 77 GLU H H 1 9.144 0.020 . 1 . . . . 77 GLU H . 16872 1
841 . 1 1 77 77 GLU HA H 1 4.832 0.020 . 1 . . . . 77 GLU HA . 16872 1
842 . 1 1 77 77 GLU HB2 H 1 2.113 0.020 . 2 . . . . 77 GLU HB2 . 16872 1
843 . 1 1 77 77 GLU HB3 H 1 2.020 0.020 . 2 . . . . 77 GLU HB3 . 16872 1
844 . 1 1 77 77 GLU HG2 H 1 2.389 0.020 . 2 . . . . 77 GLU HG2 . 16872 1
845 . 1 1 77 77 GLU HG3 H 1 2.277 0.020 . 2 . . . . 77 GLU HG3 . 16872 1
846 . 1 1 77 77 GLU CA C 13 52.116 0.400 . 1 . . . . 77 GLU CA . 16872 1
847 . 1 1 77 77 GLU CB C 13 30.733 0.400 . 1 . . . . 77 GLU CB . 16872 1
848 . 1 1 77 77 GLU CG C 13 33.713 0.400 . 1 . . . . 77 GLU CG . 16872 1
849 . 1 1 77 77 GLU N N 15 122.125 0.400 . 1 . . . . 77 GLU N . 16872 1
850 . 1 1 78 78 ARG H H 1 9.048 0.020 . 1 . . . . 78 ARG H . 16872 1
851 . 1 1 78 78 ARG HA H 1 4.129 0.020 . 1 . . . . 78 ARG HA . 16872 1
852 . 1 1 78 78 ARG HB2 H 1 1.769 0.020 . 2 . . . . 78 ARG HB2 . 16872 1
853 . 1 1 78 78 ARG HB3 H 1 1.707 0.020 . 2 . . . . 78 ARG HB3 . 16872 1
854 . 1 1 78 78 ARG HD2 H 1 3.017 0.020 . 2 . . . . 78 ARG HD2 . 16872 1
855 . 1 1 78 78 ARG HD3 H 1 2.950 0.020 . 2 . . . . 78 ARG HD3 . 16872 1
856 . 1 1 78 78 ARG HE H 1 7.661 0.020 . 1 . . . . 78 ARG HE . 16872 1
857 . 1 1 78 78 ARG HG2 H 1 1.486 0.020 . 2 . . . . 78 ARG HG2 . 16872 1
858 . 1 1 78 78 ARG HG3 H 1 1.486 0.020 . 2 . . . . 78 ARG HG3 . 16872 1
859 . 1 1 78 78 ARG CA C 13 54.457 0.400 . 1 . . . . 78 ARG CA . 16872 1
860 . 1 1 78 78 ARG CB C 13 27.898 0.400 . 1 . . . . 78 ARG CB . 16872 1
861 . 1 1 78 78 ARG CD C 13 41.090 0.400 . 1 . . . . 78 ARG CD . 16872 1
862 . 1 1 78 78 ARG CG C 13 24.775 0.400 . 1 . . . . 78 ARG CG . 16872 1
863 . 1 1 78 78 ARG N N 15 126.377 0.400 . 1 . . . . 78 ARG N . 16872 1
864 . 1 1 78 78 ARG NE N 15 84.844 0.400 . 1 . . . . 78 ARG NE . 16872 1
865 . 1 1 79 79 VAL H H 1 8.165 0.020 . 1 . . . . 79 VAL H . 16872 1
866 . 1 1 79 79 VAL HA H 1 4.372 0.020 . 1 . . . . 79 VAL HA . 16872 1
867 . 1 1 79 79 VAL HB H 1 2.081 0.020 . 1 . . . . 79 VAL HB . 16872 1
868 . 1 1 79 79 VAL HG11 H 1 0.839 0.020 . 2 . . . . 79 VAL HG1 . 16872 1
869 . 1 1 79 79 VAL HG12 H 1 0.839 0.020 . 2 . . . . 79 VAL HG1 . 16872 1
870 . 1 1 79 79 VAL HG13 H 1 0.839 0.020 . 2 . . . . 79 VAL HG1 . 16872 1
871 . 1 1 79 79 VAL HG21 H 1 0.726 0.020 . 2 . . . . 79 VAL HG2 . 16872 1
872 . 1 1 79 79 VAL HG22 H 1 0.726 0.020 . 2 . . . . 79 VAL HG2 . 16872 1
873 . 1 1 79 79 VAL HG23 H 1 0.726 0.020 . 2 . . . . 79 VAL HG2 . 16872 1
874 . 1 1 79 79 VAL CA C 13 58.573 0.400 . 1 . . . . 79 VAL CA . 16872 1
875 . 1 1 79 79 VAL CB C 13 32.300 0.400 . 1 . . . . 79 VAL CB . 16872 1
876 . 1 1 79 79 VAL CG1 C 13 19.541 0.400 . 1 . . . . 79 VAL CG1 . 16872 1
877 . 1 1 79 79 VAL CG2 C 13 17.645 0.400 . 1 . . . . 79 VAL CG2 . 16872 1
878 . 1 1 79 79 VAL N N 15 122.365 0.400 . 1 . . . . 79 VAL N . 16872 1
879 . 1 1 80 80 GLY H H 1 8.271 0.020 . 1 . . . . 80 GLY H . 16872 1
880 . 1 1 80 80 GLY HA2 H 1 4.122 0.020 . 2 . . . . 80 GLY HA2 . 16872 1
881 . 1 1 80 80 GLY HA3 H 1 3.682 0.020 . 2 . . . . 80 GLY HA3 . 16872 1
882 . 1 1 80 80 GLY CA C 13 42.321 0.400 . 1 . . . . 80 GLY CA . 16872 1
883 . 1 1 80 80 GLY N N 15 109.534 0.400 . 1 . . . . 80 GLY N . 16872 1
884 . 1 1 81 81 MET H H 1 8.006 0.020 . 1 . . . . 81 MET H . 16872 1
885 . 1 1 81 81 MET HA H 1 3.836 0.020 . 1 . . . . 81 MET HA . 16872 1
886 . 1 1 81 81 MET HB2 H 1 1.688 0.020 . 2 . . . . 81 MET HB2 . 16872 1
887 . 1 1 81 81 MET HB3 H 1 1.510 0.020 . 2 . . . . 81 MET HB3 . 16872 1
888 . 1 1 81 81 MET HE1 H 1 1.928 0.020 . 1 . . . . 81 MET HE . 16872 1
889 . 1 1 81 81 MET HE2 H 1 1.928 0.020 . 1 . . . . 81 MET HE . 16872 1
890 . 1 1 81 81 MET HE3 H 1 1.928 0.020 . 1 . . . . 81 MET HE . 16872 1
891 . 1 1 81 81 MET HG2 H 1 2.147 0.020 . 2 . . . . 81 MET HG2 . 16872 1
892 . 1 1 81 81 MET HG3 H 1 2.147 0.020 . 2 . . . . 81 MET HG3 . 16872 1
893 . 1 1 81 81 MET CA C 13 53.169 0.400 . 1 . . . . 81 MET CA . 16872 1
894 . 1 1 81 81 MET CB C 13 31.215 0.400 . 1 . . . . 81 MET CB . 16872 1
895 . 1 1 81 81 MET CE C 13 14.813 0.400 . 1 . . . . 81 MET CE . 16872 1
896 . 1 1 81 81 MET CG C 13 29.337 0.400 . 1 . . . . 81 MET CG . 16872 1
897 . 1 1 81 81 MET N N 15 118.882 0.400 . 1 . . . . 81 MET N . 16872 1
898 . 1 1 82 82 LEU H H 1 7.985 0.020 . 1 . . . . 82 LEU H . 16872 1
899 . 1 1 82 82 LEU HA H 1 4.253 0.020 . 1 . . . . 82 LEU HA . 16872 1
900 . 1 1 82 82 LEU HB2 H 1 1.457 0.020 . 2 . . . . 82 LEU HB2 . 16872 1
901 . 1 1 82 82 LEU HB3 H 1 1.457 0.020 . 2 . . . . 82 LEU HB3 . 16872 1
902 . 1 1 82 82 LEU HD11 H 1 0.789 0.020 . 2 . . . . 82 LEU HD1 . 16872 1
903 . 1 1 82 82 LEU HD12 H 1 0.789 0.020 . 2 . . . . 82 LEU HD1 . 16872 1
904 . 1 1 82 82 LEU HD13 H 1 0.789 0.020 . 2 . . . . 82 LEU HD1 . 16872 1
905 . 1 1 82 82 LEU HD21 H 1 0.789 0.020 . 2 . . . . 82 LEU HD2 . 16872 1
906 . 1 1 82 82 LEU HD22 H 1 0.789 0.020 . 2 . . . . 82 LEU HD2 . 16872 1
907 . 1 1 82 82 LEU HD23 H 1 0.789 0.020 . 2 . . . . 82 LEU HD2 . 16872 1
908 . 1 1 82 82 LEU HG H 1 1.596 0.020 . 1 . . . . 82 LEU HG . 16872 1
909 . 1 1 82 82 LEU CA C 13 52.711 0.400 . 1 . . . . 82 LEU CA . 16872 1
910 . 1 1 82 82 LEU CB C 13 40.246 0.400 . 1 . . . . 82 LEU CB . 16872 1
911 . 1 1 82 82 LEU CD1 C 13 24.743 0.400 . 1 . . . . 82 LEU CD1 . 16872 1
912 . 1 1 82 82 LEU CD2 C 13 21.224 0.400 . 1 . . . . 82 LEU CD2 . 16872 1
913 . 1 1 82 82 LEU CG C 13 22.240 0.400 . 1 . . . . 82 LEU CG . 16872 1
914 . 1 1 82 82 LEU N N 15 123.888 0.400 . 1 . . . . 82 LEU N . 16872 1
915 . 1 1 83 83 LYS H H 1 8.261 0.020 . 1 . . . . 83 LYS H . 16872 1
916 . 1 1 83 83 LYS HA H 1 4.204 0.020 . 1 . . . . 83 LYS HA . 16872 1
917 . 1 1 83 83 LYS HB2 H 1 1.638 0.020 . 2 . . . . 83 LYS HB2 . 16872 1
918 . 1 1 83 83 LYS HB3 H 1 1.638 0.020 . 2 . . . . 83 LYS HB3 . 16872 1
919 . 1 1 83 83 LYS HD2 H 1 1.727 0.020 . 2 . . . . 83 LYS HD2 . 16872 1
920 . 1 1 83 83 LYS HD3 H 1 1.727 0.020 . 2 . . . . 83 LYS HD3 . 16872 1
921 . 1 1 83 83 LYS HE2 H 1 2.926 0.020 . 2 . . . . 83 LYS HE2 . 16872 1
922 . 1 1 83 83 LYS HE3 H 1 2.926 0.020 . 2 . . . . 83 LYS HE3 . 16872 1
923 . 1 1 83 83 LYS HG2 H 1 1.338 0.020 . 2 . . . . 83 LYS HG2 . 16872 1
924 . 1 1 83 83 LYS HG3 H 1 1.338 0.020 . 2 . . . . 83 LYS HG3 . 16872 1
925 . 1 1 83 83 LYS CA C 13 54.018 0.400 . 1 . . . . 83 LYS CA . 16872 1
926 . 1 1 83 83 LYS CB C 13 30.844 0.400 . 1 . . . . 83 LYS CB . 16872 1
927 . 1 1 83 83 LYS CD C 13 26.689 0.400 . 1 . . . . 83 LYS CD . 16872 1
928 . 1 1 83 83 LYS CE C 13 39.764 0.400 . 1 . . . . 83 LYS CE . 16872 1
929 . 1 1 83 83 LYS CG C 13 22.346 0.400 . 1 . . . . 83 LYS CG . 16872 1
930 . 1 1 83 83 LYS N N 15 123.001 0.400 . 1 . . . . 83 LYS N . 16872 1
931 . 1 1 84 84 GLU H H 1 8.392 0.020 . 1 . . . . 84 GLU H . 16872 1
932 . 1 1 84 84 GLU HA H 1 4.215 0.020 . 1 . . . . 84 GLU HA . 16872 1
933 . 1 1 84 84 GLU HB2 H 1 1.961 0.020 . 2 . . . . 84 GLU HB2 . 16872 1
934 . 1 1 84 84 GLU HB3 H 1 1.857 0.020 . 2 . . . . 84 GLU HB3 . 16872 1
935 . 1 1 84 84 GLU HG2 H 1 2.179 0.020 . 2 . . . . 84 GLU HG2 . 16872 1
936 . 1 1 84 84 GLU HG3 H 1 2.179 0.020 . 2 . . . . 84 GLU HG3 . 16872 1
937 . 1 1 84 84 GLU CA C 13 54.187 0.400 . 1 . . . . 84 GLU CA . 16872 1
938 . 1 1 84 84 GLU CB C 13 28.284 0.400 . 1 . . . . 84 GLU CB . 16872 1
939 . 1 1 84 84 GLU CG C 13 34.043 0.400 . 1 . . . . 84 GLU CG . 16872 1
940 . 1 1 84 84 GLU N N 15 122.972 0.400 . 1 . . . . 84 GLU N . 16872 1
941 . 1 1 85 85 LYS H H 1 8.414 0.020 . 1 . . . . 85 LYS H . 16872 1
942 . 1 1 85 85 LYS HA H 1 4.307 0.020 . 1 . . . . 85 LYS HA . 16872 1
943 . 1 1 85 85 LYS HB2 H 1 1.796 0.020 . 2 . . . . 85 LYS HB2 . 16872 1
944 . 1 1 85 85 LYS HB3 H 1 1.796 0.020 . 2 . . . . 85 LYS HB3 . 16872 1
945 . 1 1 85 85 LYS HD2 H 1 1.717 0.020 . 2 . . . . 85 LYS HD2 . 16872 1
946 . 1 1 85 85 LYS HD3 H 1 1.656 0.020 . 2 . . . . 85 LYS HD3 . 16872 1
947 . 1 1 85 85 LYS HE2 H 1 2.945 0.020 . 2 . . . . 85 LYS HE2 . 16872 1
948 . 1 1 85 85 LYS HE3 H 1 2.945 0.020 . 2 . . . . 85 LYS HE3 . 16872 1
949 . 1 1 85 85 LYS HG2 H 1 1.386 0.020 . 2 . . . . 85 LYS HG2 . 16872 1
950 . 1 1 85 85 LYS HG3 H 1 1.386 0.020 . 2 . . . . 85 LYS HG3 . 16872 1
951 . 1 1 85 85 LYS CA C 13 54.193 0.400 . 1 . . . . 85 LYS CA . 16872 1
952 . 1 1 85 85 LYS CB C 13 30.668 0.400 . 1 . . . . 85 LYS CB . 16872 1
953 . 1 1 85 85 LYS CD C 13 26.676 0.400 . 1 . . . . 85 LYS CD . 16872 1
954 . 1 1 85 85 LYS CE C 13 39.780 0.400 . 1 . . . . 85 LYS CE . 16872 1
955 . 1 1 85 85 LYS CG C 13 22.435 0.400 . 1 . . . . 85 LYS CG . 16872 1
956 . 1 1 85 85 LYS N N 15 122.776 0.400 . 1 . . . . 85 LYS N . 16872 1
957 . 1 1 86 86 THR H H 1 8.094 0.020 . 1 . . . . 86 THR H . 16872 1
958 . 1 1 86 86 THR HA H 1 4.339 0.020 . 1 . . . . 86 THR HA . 16872 1
959 . 1 1 86 86 THR HB H 1 4.174 0.020 . 1 . . . . 86 THR HB . 16872 1
960 . 1 1 86 86 THR HG21 H 1 1.144 0.020 . 1 . . . . 86 THR HG2 . 16872 1
961 . 1 1 86 86 THR HG22 H 1 1.144 0.020 . 1 . . . . 86 THR HG2 . 16872 1
962 . 1 1 86 86 THR HG23 H 1 1.144 0.020 . 1 . . . . 86 THR HG2 . 16872 1
963 . 1 1 86 86 THR CA C 13 59.298 0.400 . 1 . . . . 86 THR CA . 16872 1
964 . 1 1 86 86 THR CB C 13 67.786 0.400 . 1 . . . . 86 THR CB . 16872 1
965 . 1 1 86 86 THR CG2 C 13 19.224 0.400 . 1 . . . . 86 THR CG2 . 16872 1
966 . 1 1 86 86 THR N N 15 115.167 0.400 . 1 . . . . 86 THR N . 16872 1
967 . 1 1 87 87 GLY H H 1 8.221 0.020 . 1 . . . . 87 GLY H . 16872 1
968 . 1 1 87 87 GLY HA2 H 1 4.115 0.020 . 2 . . . . 87 GLY HA2 . 16872 1
969 . 1 1 87 87 GLY HA3 H 1 4.045 0.020 . 2 . . . . 87 GLY HA3 . 16872 1
970 . 1 1 87 87 GLY CA C 13 42.318 0.400 . 1 . . . . 87 GLY CA . 16872 1
971 . 1 1 87 87 GLY N N 15 111.199 0.400 . 1 . . . . 87 GLY N . 16872 1
972 . 1 1 88 88 PRO HA H 1 4.366 0.020 . 1 . . . . 88 PRO HA . 16872 1
973 . 1 1 88 88 PRO HB2 H 1 2.211 0.020 . 2 . . . . 88 PRO HB2 . 16872 1
974 . 1 1 88 88 PRO HB3 H 1 2.211 0.020 . 2 . . . . 88 PRO HB3 . 16872 1
975 . 1 1 88 88 PRO HD2 H 1 3.566 0.020 . 2 . . . . 88 PRO HD2 . 16872 1
976 . 1 1 88 88 PRO HD3 H 1 3.566 0.020 . 2 . . . . 88 PRO HD3 . 16872 1
977 . 1 1 88 88 PRO HG2 H 1 1.935 0.020 . 2 . . . . 88 PRO HG2 . 16872 1
978 . 1 1 88 88 PRO HG3 H 1 1.835 0.020 . 2 . . . . 88 PRO HG3 . 16872 1
979 . 1 1 88 88 PRO CA C 13 60.760 0.400 . 1 . . . . 88 PRO CA . 16872 1
980 . 1 1 88 88 PRO CB C 13 29.923 0.400 . 1 . . . . 88 PRO CB . 16872 1
981 . 1 1 88 88 PRO CD C 13 47.483 0.400 . 1 . . . . 88 PRO CD . 16872 1
982 . 1 1 88 88 PRO CG C 13 24.777 0.400 . 1 . . . . 88 PRO CG . 16872 1
983 . 1 1 89 89 LYS H H 1 8.359 0.020 . 1 . . . . 89 LYS H . 16872 1
984 . 1 1 89 89 LYS HA H 1 4.256 0.020 . 1 . . . . 89 LYS HA . 16872 1
985 . 1 1 89 89 LYS HB2 H 1 1.736 0.020 . 2 . . . . 89 LYS HB2 . 16872 1
986 . 1 1 89 89 LYS HB3 H 1 1.736 0.020 . 2 . . . . 89 LYS HB3 . 16872 1
987 . 1 1 89 89 LYS HD2 H 1 1.649 0.020 . 2 . . . . 89 LYS HD2 . 16872 1
988 . 1 1 89 89 LYS HD3 H 1 1.649 0.020 . 2 . . . . 89 LYS HD3 . 16872 1
989 . 1 1 89 89 LYS HE2 H 1 2.941 0.020 . 2 . . . . 89 LYS HE2 . 16872 1
990 . 1 1 89 89 LYS HE3 H 1 2.941 0.020 . 2 . . . . 89 LYS HE3 . 16872 1
991 . 1 1 89 89 LYS HG2 H 1 1.376 0.020 . 2 . . . . 89 LYS HG2 . 16872 1
992 . 1 1 89 89 LYS HG3 H 1 1.376 0.020 . 2 . . . . 89 LYS HG3 . 16872 1
993 . 1 1 89 89 LYS CA C 13 53.835 0.400 . 1 . . . . 89 LYS CA . 16872 1
994 . 1 1 89 89 LYS CB C 13 30.544 0.400 . 1 . . . . 89 LYS CB . 16872 1
995 . 1 1 89 89 LYS CD C 13 26.594 0.400 . 1 . . . . 89 LYS CD . 16872 1
996 . 1 1 89 89 LYS CE C 13 39.771 0.400 . 1 . . . . 89 LYS CE . 16872 1
997 . 1 1 89 89 LYS CG C 13 22.283 0.400 . 1 . . . . 89 LYS CG . 16872 1
998 . 1 1 89 89 LYS N N 15 121.604 0.400 . 1 . . . . 89 LYS N . 16872 1
999 . 1 1 90 90 LEU H H 1 8.295 0.020 . 1 . . . . 90 LEU H . 16872 1
1000 . 1 1 90 90 LEU HA H 1 4.315 0.020 . 1 . . . . 90 LEU HA . 16872 1
1001 . 1 1 90 90 LEU HB2 H 1 1.600 0.020 . 2 . . . . 90 LEU HB2 . 16872 1
1002 . 1 1 90 90 LEU HB3 H 1 1.543 0.020 . 2 . . . . 90 LEU HB3 . 16872 1
1003 . 1 1 90 90 LEU HD11 H 1 0.840 0.020 . 2 . . . . 90 LEU HD1 . 16872 1
1004 . 1 1 90 90 LEU HD12 H 1 0.840 0.020 . 2 . . . . 90 LEU HD1 . 16872 1
1005 . 1 1 90 90 LEU HD13 H 1 0.840 0.020 . 2 . . . . 90 LEU HD1 . 16872 1
1006 . 1 1 90 90 LEU HD21 H 1 0.840 0.020 . 2 . . . . 90 LEU HD2 . 16872 1
1007 . 1 1 90 90 LEU HD22 H 1 0.840 0.020 . 2 . . . . 90 LEU HD2 . 16872 1
1008 . 1 1 90 90 LEU HD23 H 1 0.840 0.020 . 2 . . . . 90 LEU HD2 . 16872 1
1009 . 1 1 90 90 LEU HG H 1 1.592 0.020 . 1 . . . . 90 LEU HG . 16872 1
1010 . 1 1 90 90 LEU CA C 13 52.990 0.400 . 1 . . . . 90 LEU CA . 16872 1
1011 . 1 1 90 90 LEU CB C 13 40.002 0.400 . 1 . . . . 90 LEU CB . 16872 1
1012 . 1 1 90 90 LEU CD1 C 13 24.697 0.400 . 1 . . . . 90 LEU CD1 . 16872 1
1013 . 1 1 90 90 LEU CD2 C 13 20.972 0.400 . 1 . . . . 90 LEU CD2 . 16872 1
1014 . 1 1 90 90 LEU CG C 13 22.415 0.400 . 1 . . . . 90 LEU CG . 16872 1
1015 . 1 1 90 90 LEU N N 15 124.492 0.400 . 1 . . . . 90 LEU N . 16872 1
1016 . 1 1 91 91 GLY H H 1 8.387 0.020 . 1 . . . . 91 GLY H . 16872 1
1017 . 1 1 91 91 GLY HA2 H 1 3.888 0.020 . 2 . . . . 91 GLY HA2 . 16872 1
1018 . 1 1 91 91 GLY HA3 H 1 3.888 0.020 . 2 . . . . 91 GLY HA3 . 16872 1
1019 . 1 1 91 91 GLY CA C 13 42.994 0.400 . 1 . . . . 91 GLY CA . 16872 1
1020 . 1 1 91 91 GLY N N 15 110.579 0.400 . 1 . . . . 91 GLY N . 16872 1
1021 . 1 1 92 92 GLY H H 1 7.869 0.020 . 1 . . . . 92 GLY H . 16872 1
1022 . 1 1 92 92 GLY HA2 H 1 3.701 0.020 . 2 . . . . 92 GLY HA2 . 16872 1
1023 . 1 1 92 92 GLY HA3 H 1 3.701 0.020 . 2 . . . . 92 GLY HA3 . 16872 1
1024 . 1 1 92 92 GLY CA C 13 43.750 0.400 . 1 . . . . 92 GLY CA . 16872 1
1025 . 1 1 92 92 GLY N N 15 114.927 0.400 . 1 . . . . 92 GLY N . 16872 1
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