###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 34776
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H NOESY' . . . 34776 1
2 '2D 1H-1H TOCSY' . . . 34776 1
3 '2D 1H-13C HSQC' . . . 34776 1
4 '3D 1H-15N NOESY' . . . 34776 1
5 '3D 1H-15N TOCSY' . . . 34776 1
6 '2D 1H-15N HSQC' . . . 34776 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 ALA HA H 1 4.141 0.020 . 1 . . . . A 1 ALA HA . 34776 1
2 . 1 . 1 1 1 ALA HB1 H 1 1.533 0.020 . 1 . . . . A 1 ALA HB1 . 34776 1
3 . 1 . 1 1 1 ALA HB2 H 1 1.533 0.020 . 1 . . . . A 1 ALA HB2 . 34776 1
4 . 1 . 1 1 1 ALA HB3 H 1 1.533 0.020 . 1 . . . . A 1 ALA HB3 . 34776 1
5 . 1 . 1 1 1 ALA CA C 13 51.766 0.400 . 1 . . . . A 1 ALA CA . 34776 1
6 . 1 . 1 1 1 ALA CB C 13 19.566 0.400 . 1 . . . . A 1 ALA CB . 34776 1
7 . 1 . 1 2 2 CYS H H 1 8.427 0.020 . 1 . . . . A 2 CYS H . 34776 1
8 . 1 . 1 2 2 CYS HA H 1 4.983 0.020 . 1 . . . . A 2 CYS HA . 34776 1
9 . 1 . 1 2 2 CYS HB2 H 1 3.240 0.020 . 2 . . . . A 2 CYS HB2 . 34776 1
10 . 1 . 1 2 2 CYS HB3 H 1 3.126 0.020 . 2 . . . . A 2 CYS HB3 . 34776 1
11 . 1 . 1 2 2 CYS CA C 13 54.752 0.400 . 1 . . . . A 2 CYS CA . 34776 1
12 . 1 . 1 2 2 CYS CB C 13 42.692 0.400 . 1 . . . . A 2 CYS CB . 34776 1
13 . 1 . 1 2 2 CYS N N 15 116.654 0.400 . 1 . . . . A 2 CYS N . 34776 1
14 . 1 . 1 3 3 ILE H H 1 9.304 0.020 . 1 . . . . A 3 ILE H . 34776 1
15 . 1 . 1 3 3 ILE HA H 1 4.427 0.020 . 1 . . . . A 3 ILE HA . 34776 1
16 . 1 . 1 3 3 ILE HB H 1 1.731 0.020 . 1 . . . . A 3 ILE HB . 34776 1
17 . 1 . 1 3 3 ILE HG12 H 1 1.188 0.020 . 2 . . . . A 3 ILE HG12 . 34776 1
18 . 1 . 1 3 3 ILE HG13 H 1 1.595 0.020 . 2 . . . . A 3 ILE HG13 . 34776 1
19 . 1 . 1 3 3 ILE HG21 H 1 0.969 0.020 . 1 . . . . A 3 ILE HG21 . 34776 1
20 . 1 . 1 3 3 ILE HG22 H 1 0.969 0.020 . 1 . . . . A 3 ILE HG22 . 34776 1
21 . 1 . 1 3 3 ILE HG23 H 1 0.969 0.020 . 1 . . . . A 3 ILE HG23 . 34776 1
22 . 1 . 1 3 3 ILE HD11 H 1 0.901 0.020 . 1 . . . . A 3 ILE HD11 . 34776 1
23 . 1 . 1 3 3 ILE HD12 H 1 0.901 0.020 . 1 . . . . A 3 ILE HD12 . 34776 1
24 . 1 . 1 3 3 ILE HD13 H 1 0.901 0.020 . 1 . . . . A 3 ILE HD13 . 34776 1
25 . 1 . 1 3 3 ILE CA C 13 58.674 0.400 . 1 . . . . A 3 ILE CA . 34776 1
26 . 1 . 1 3 3 ILE CB C 13 39.316 0.400 . 1 . . . . A 3 ILE CB . 34776 1
27 . 1 . 1 3 3 ILE CG1 C 13 27.309 0.400 . 1 . . . . A 3 ILE CG1 . 34776 1
28 . 1 . 1 3 3 ILE CG2 C 13 18.533 0.400 . 1 . . . . A 3 ILE CG2 . 34776 1
29 . 1 . 1 3 3 ILE CD1 C 13 12.609 0.400 . 1 . . . . A 3 ILE CD1 . 34776 1
30 . 1 . 1 3 3 ILE N N 15 123.461 0.400 . 1 . . . . A 3 ILE N . 34776 1
31 . 1 . 1 4 4 PRO HA H 1 4.289 0.020 . 1 . . . . A 4 PRO HA . 34776 1
32 . 1 . 1 4 4 PRO HB2 H 1 2.249 0.020 . 2 . . . . A 4 PRO HB2 . 34776 1
33 . 1 . 1 4 4 PRO HB3 H 1 1.882 0.020 . 2 . . . . A 4 PRO HB3 . 34776 1
34 . 1 . 1 4 4 PRO HG2 H 1 1.912 0.020 . 2 . . . . A 4 PRO HG2 . 34776 1
35 . 1 . 1 4 4 PRO HG3 H 1 1.840 0.020 . 2 . . . . A 4 PRO HG3 . 34776 1
36 . 1 . 1 4 4 PRO HD2 H 1 4.041 0.020 . 2 . . . . A 4 PRO HD2 . 34776 1
37 . 1 . 1 4 4 PRO HD3 H 1 3.596 0.020 . 2 . . . . A 4 PRO HD3 . 34776 1
38 . 1 . 1 4 4 PRO CA C 13 62.286 0.400 . 1 . . . . A 4 PRO CA . 34776 1
39 . 1 . 1 4 4 PRO CB C 13 31.754 0.400 . 1 . . . . A 4 PRO CB . 34776 1
40 . 1 . 1 4 4 PRO CG C 13 27.246 0.400 . 1 . . . . A 4 PRO CG . 34776 1
41 . 1 . 1 4 4 PRO CD C 13 51.724 0.400 . 1 . . . . A 4 PRO CD . 34776 1
42 . 1 . 1 5 5 ARG H H 1 8.011 0.020 . 1 . . . . A 5 ARG H . 34776 1
43 . 1 . 1 5 5 ARG HA H 1 3.531 0.020 . 1 . . . . A 5 ARG HA . 34776 1
44 . 1 . 1 5 5 ARG HB2 H 1 1.648 0.020 . 2 . . . . A 5 ARG HB2 . 34776 1
45 . 1 . 1 5 5 ARG HB3 H 1 1.634 0.020 . 2 . . . . A 5 ARG HB3 . 34776 1
46 . 1 . 1 5 5 ARG HG2 H 1 1.483 0.020 . 2 . . . . A 5 ARG HG2 . 34776 1
47 . 1 . 1 5 5 ARG HG3 H 1 1.483 0.020 . 2 . . . . A 5 ARG HG3 . 34776 1
48 . 1 . 1 5 5 ARG HD2 H 1 3.164 0.020 . 2 . . . . A 5 ARG HD2 . 34776 1
49 . 1 . 1 5 5 ARG HD3 H 1 3.164 0.020 . 2 . . . . A 5 ARG HD3 . 34776 1
50 . 1 . 1 5 5 ARG HE H 1 7.359 0.020 . 1 . . . . A 5 ARG HE . 34776 1
51 . 1 . 1 5 5 ARG CA C 13 58.587 0.400 . 1 . . . . A 5 ARG CA . 34776 1
52 . 1 . 1 5 5 ARG CB C 13 30.347 0.400 . 1 . . . . A 5 ARG CB . 34776 1
53 . 1 . 1 5 5 ARG CG C 13 27.310 0.400 . 1 . . . . A 5 ARG CG . 34776 1
54 . 1 . 1 5 5 ARG CD C 13 43.611 0.400 . 1 . . . . A 5 ARG CD . 34776 1
55 . 1 . 1 5 5 ARG N N 15 119.805 0.400 . 1 . . . . A 5 ARG N . 34776 1
56 . 1 . 1 5 5 ARG NE N 15 83.922 0.400 . 1 . . . . A 5 ARG NE . 34776 1
57 . 1 . 1 6 6 GLY H H 1 9.215 0.020 . 1 . . . . A 6 GLY H . 34776 1
58 . 1 . 1 6 6 GLY HA2 H 1 4.366 0.020 . 2 . . . . A 6 GLY HA2 . 34776 1
59 . 1 . 1 6 6 GLY HA3 H 1 3.702 0.020 . 2 . . . . A 6 GLY HA3 . 34776 1
60 . 1 . 1 6 6 GLY CA C 13 50.773 0.400 . 1 . . . . A 6 GLY CA . 34776 1
61 . 1 . 1 6 6 GLY N N 15 112.708 0.400 . 1 . . . . A 6 GLY N . 34776 1
62 . 1 . 1 7 7 GLU H H 1 7.486 0.020 . 1 . . . . A 7 GLU H . 34776 1
63 . 1 . 1 7 7 GLU HA H 1 4.598 0.020 . 1 . . . . A 7 GLU HA . 34776 1
64 . 1 . 1 7 7 GLU HB2 H 1 2.133 0.020 . 2 . . . . A 7 GLU HB2 . 34776 1
65 . 1 . 1 7 7 GLU HB3 H 1 1.930 0.020 . 2 . . . . A 7 GLU HB3 . 34776 1
66 . 1 . 1 7 7 GLU HG2 H 1 2.269 0.020 . 2 . . . . A 7 GLU HG2 . 34776 1
67 . 1 . 1 7 7 GLU HG3 H 1 2.144 0.020 . 2 . . . . A 7 GLU HG3 . 34776 1
68 . 1 . 1 7 7 GLU CB C 13 30.438 0.400 . 1 . . . . A 7 GLU CB . 34776 1
69 . 1 . 1 7 7 GLU CG C 13 35.933 0.400 . 1 . . . . A 7 GLU CG . 34776 1
70 . 1 . 1 7 7 GLU N N 15 119.542 0.400 . 1 . . . . A 7 GLU N . 34776 1
71 . 1 . 1 8 8 ILE H H 1 7.929 0.020 . 1 . . . . A 8 ILE H . 34776 1
72 . 1 . 1 8 8 ILE HA H 1 4.476 0.020 . 1 . . . . A 8 ILE HA . 34776 1
73 . 1 . 1 8 8 ILE HB H 1 1.718 0.020 . 1 . . . . A 8 ILE HB . 34776 1
74 . 1 . 1 8 8 ILE HG12 H 1 1.255 0.020 . 2 . . . . A 8 ILE HG12 . 34776 1
75 . 1 . 1 8 8 ILE HG13 H 1 1.625 0.020 . 2 . . . . A 8 ILE HG13 . 34776 1
76 . 1 . 1 8 8 ILE HG21 H 1 0.937 0.020 . 1 . . . . A 8 ILE HG21 . 34776 1
77 . 1 . 1 8 8 ILE HG22 H 1 0.937 0.020 . 1 . . . . A 8 ILE HG22 . 34776 1
78 . 1 . 1 8 8 ILE HG23 H 1 0.937 0.020 . 1 . . . . A 8 ILE HG23 . 34776 1
79 . 1 . 1 8 8 ILE HD11 H 1 0.834 0.020 . 1 . . . . A 8 ILE HD11 . 34776 1
80 . 1 . 1 8 8 ILE HD12 H 1 0.834 0.020 . 1 . . . . A 8 ILE HD12 . 34776 1
81 . 1 . 1 8 8 ILE HD13 H 1 0.834 0.020 . 1 . . . . A 8 ILE HD13 . 34776 1
82 . 1 . 1 8 8 ILE CB C 13 38.074 0.400 . 1 . . . . A 8 ILE CB . 34776 1
83 . 1 . 1 8 8 ILE CG1 C 13 28.096 0.400 . 1 . . . . A 8 ILE CG1 . 34776 1
84 . 1 . 1 8 8 ILE CG2 C 13 17.463 0.400 . 1 . . . . A 8 ILE CG2 . 34776 1
85 . 1 . 1 8 8 ILE CD1 C 13 12.838 0.400 . 1 . . . . A 8 ILE CD1 . 34776 1
86 . 1 . 1 8 8 ILE N N 15 119.645 0.400 . 1 . . . . A 8 ILE N . 34776 1
87 . 1 . 1 9 9 CYS H H 1 7.787 0.020 . 1 . . . . A 9 CYS H . 34776 1
88 . 1 . 1 9 9 CYS HA H 1 4.969 0.020 . 1 . . . . A 9 CYS HA . 34776 1
89 . 1 . 1 9 9 CYS HB2 H 1 3.159 0.020 . 2 . . . . A 9 CYS HB2 . 34776 1
90 . 1 . 1 9 9 CYS HB3 H 1 3.054 0.020 . 2 . . . . A 9 CYS HB3 . 34776 1
91 . 1 . 1 9 9 CYS CA C 13 53.037 0.400 . 1 . . . . A 9 CYS CA . 34776 1
92 . 1 . 1 9 9 CYS CB C 13 47.773 0.400 . 1 . . . . A 9 CYS CB . 34776 1
93 . 1 . 1 9 9 CYS N N 15 119.752 0.400 . 1 . . . . A 9 CYS N . 34776 1
94 . 1 . 1 10 10 THR H H 1 9.622 0.020 . 1 . . . . A 10 THR H . 34776 1
95 . 1 . 1 10 10 THR HA H 1 4.464 0.020 . 1 . . . . A 10 THR HA . 34776 1
96 . 1 . 1 10 10 THR HB H 1 4.243 0.020 . 1 . . . . A 10 THR HB . 34776 1
97 . 1 . 1 10 10 THR HG21 H 1 1.117 0.020 . 1 . . . . A 10 THR HG21 . 34776 1
98 . 1 . 1 10 10 THR HG22 H 1 1.117 0.020 . 1 . . . . A 10 THR HG22 . 34776 1
99 . 1 . 1 10 10 THR HG23 H 1 1.117 0.020 . 1 . . . . A 10 THR HG23 . 34776 1
100 . 1 . 1 10 10 THR CB C 13 70.873 0.400 . 1 . . . . A 10 THR CB . 34776 1
101 . 1 . 1 10 10 THR CG2 C 13 21.692 0.400 . 1 . . . . A 10 THR CG2 . 34776 1
102 . 1 . 1 10 10 THR N N 15 109.249 0.400 . 1 . . . . A 10 THR N . 34776 1
103 . 1 . 1 11 11 ASP H H 1 7.771 0.020 . 1 . . . . A 11 ASP H . 34776 1
104 . 1 . 1 11 11 ASP HA H 1 4.897 0.020 . 1 . . . . A 11 ASP HA . 34776 1
105 . 1 . 1 11 11 ASP HB2 H 1 2.721 0.020 . 2 . . . . A 11 ASP HB2 . 34776 1
106 . 1 . 1 11 11 ASP HB3 H 1 2.423 0.020 . 2 . . . . A 11 ASP HB3 . 34776 1
107 . 1 . 1 11 11 ASP CB C 13 45.997 0.400 . 1 . . . . A 11 ASP CB . 34776 1
108 . 1 . 1 11 11 ASP N N 15 121.974 0.400 . 1 . . . . A 11 ASP N . 34776 1
109 . 1 . 1 12 12 ASP H H 1 9.171 0.020 . 1 . . . . A 12 ASP H . 34776 1
110 . 1 . 1 12 12 ASP HA H 1 4.201 0.020 . 1 . . . . A 12 ASP HA . 34776 1
111 . 1 . 1 12 12 ASP HB2 H 1 2.594 0.020 . 1 . . . . A 12 ASP HB2 . 34776 1
112 . 1 . 1 12 12 ASP HB3 H 1 2.665 0.020 . 1 . . . . A 12 ASP HB3 . 34776 1
113 . 1 . 1 12 12 ASP CA C 13 58.883 0.400 . 1 . . . . A 12 ASP CA . 34776 1
114 . 1 . 1 12 12 ASP CB C 13 43.268 0.400 . 1 . . . . A 12 ASP CB . 34776 1
115 . 1 . 1 12 12 ASP N N 15 124.572 0.400 . 1 . . . . A 12 ASP N . 34776 1
116 . 1 . 1 13 13 CYS H H 1 8.911 0.020 . 1 . . . . A 13 CYS H . 34776 1
117 . 1 . 1 13 13 CYS HA H 1 4.443 0.020 . 1 . . . . A 13 CYS HA . 34776 1
118 . 1 . 1 13 13 CYS HB2 H 1 2.855 0.020 . 1 . . . . A 13 CYS HB2 . 34776 1
119 . 1 . 1 13 13 CYS HB3 H 1 3.293 0.020 . 1 . . . . A 13 CYS HB3 . 34776 1
120 . 1 . 1 13 13 CYS CB C 13 35.612 0.400 . 1 . . . . A 13 CYS CB . 34776 1
121 . 1 . 1 13 13 CYS N N 15 114.384 0.400 . 1 . . . . A 13 CYS N . 34776 1
122 . 1 . 1 14 14 GLU H H 1 7.783 0.020 . 1 . . . . A 14 GLU H . 34776 1
123 . 1 . 1 14 14 GLU HA H 1 4.195 0.020 . 1 . . . . A 14 GLU HA . 34776 1
124 . 1 . 1 14 14 GLU HB2 H 1 2.143 0.020 . 2 . . . . A 14 GLU HB2 . 34776 1
125 . 1 . 1 14 14 GLU HB3 H 1 2.143 0.020 . 2 . . . . A 14 GLU HB3 . 34776 1
126 . 1 . 1 14 14 GLU HG2 H 1 2.366 0.020 . 2 . . . . A 14 GLU HG2 . 34776 1
127 . 1 . 1 14 14 GLU HG3 H 1 2.424 0.020 . 2 . . . . A 14 GLU HG3 . 34776 1
128 . 1 . 1 14 14 GLU CA C 13 57.040 0.400 . 1 . . . . A 14 GLU CA . 34776 1
129 . 1 . 1 14 14 GLU CB C 13 31.295 0.400 . 1 . . . . A 14 GLU CB . 34776 1
130 . 1 . 1 14 14 GLU CG C 13 35.812 0.400 . 1 . . . . A 14 GLU CG . 34776 1
131 . 1 . 1 14 14 GLU N N 15 116.462 0.400 . 1 . . . . A 14 GLU N . 34776 1
132 . 1 . 1 15 15 CYS H H 1 7.165 0.020 . 1 . . . . A 15 CYS H . 34776 1
133 . 1 . 1 15 15 CYS HA H 1 4.996 0.020 . 1 . . . . A 15 CYS HA . 34776 1
134 . 1 . 1 15 15 CYS HB2 H 1 2.405 0.020 . 1 . . . . A 15 CYS HB2 . 34776 1
135 . 1 . 1 15 15 CYS HB3 H 1 3.255 0.020 . 1 . . . . A 15 CYS HB3 . 34776 1
136 . 1 . 1 15 15 CYS CA C 13 55.392 0.400 . 1 . . . . A 15 CYS CA . 34776 1
137 . 1 . 1 15 15 CYS CB C 13 37.712 0.400 . 1 . . . . A 15 CYS CB . 34776 1
138 . 1 . 1 15 15 CYS N N 15 115.705 0.400 . 1 . . . . A 15 CYS N . 34776 1
139 . 1 . 1 16 16 CYS H H 1 9.576 0.020 . 1 . . . . A 16 CYS H . 34776 1
140 . 1 . 1 16 16 CYS HA H 1 4.454 0.020 . 1 . . . . A 16 CYS HA . 34776 1
141 . 1 . 1 16 16 CYS HB2 H 1 2.566 0.020 . 1 . . . . A 16 CYS HB2 . 34776 1
142 . 1 . 1 16 16 CYS HB3 H 1 3.241 0.020 . 1 . . . . A 16 CYS HB3 . 34776 1
143 . 1 . 1 16 16 CYS CA C 13 55.438 0.400 . 1 . . . . A 16 CYS CA . 34776 1
144 . 1 . 1 16 16 CYS CB C 13 41.015 0.400 . 1 . . . . A 16 CYS CB . 34776 1
145 . 1 . 1 16 16 CYS N N 15 125.323 0.400 . 1 . . . . A 16 CYS N . 34776 1
146 . 1 . 1 17 17 GLY H H 1 8.726 0.020 . 1 . . . . A 17 GLY H . 34776 1
147 . 1 . 1 17 17 GLY HA2 H 1 4.278 0.020 . 2 . . . . A 17 GLY HA2 . 34776 1
148 . 1 . 1 17 17 GLY HA3 H 1 3.727 0.020 . 2 . . . . A 17 GLY HA3 . 34776 1
149 . 1 . 1 17 17 GLY CA C 13 45.357 0.400 . 1 . . . . A 17 GLY CA . 34776 1
150 . 1 . 1 17 17 GLY N N 15 111.713 0.400 . 1 . . . . A 17 GLY N . 34776 1
151 . 1 . 1 18 18 CYS H H 1 9.090 0.020 . 1 . . . . A 18 CYS H . 34776 1
152 . 1 . 1 18 18 CYS HA H 1 4.656 0.020 . 1 . . . . A 18 CYS HA . 34776 1
153 . 1 . 1 18 18 CYS HB2 H 1 3.141 0.020 . 2 . . . . A 18 CYS HB2 . 34776 1
154 . 1 . 1 18 18 CYS HB3 H 1 2.954 0.020 . 2 . . . . A 18 CYS HB3 . 34776 1
155 . 1 . 1 18 18 CYS CB C 13 44.047 0.400 . 1 . . . . A 18 CYS CB . 34776 1
156 . 1 . 1 18 18 CYS N N 15 126.483 0.400 . 1 . . . . A 18 CYS N . 34776 1
157 . 1 . 1 19 19 ASP H H 1 8.368 0.020 . 1 . . . . A 19 ASP H . 34776 1
158 . 1 . 1 19 19 ASP HA H 1 4.680 0.020 . 1 . . . . A 19 ASP HA . 34776 1
159 . 1 . 1 19 19 ASP HB2 H 1 2.736 0.020 . 2 . . . . A 19 ASP HB2 . 34776 1
160 . 1 . 1 19 19 ASP HB3 H 1 2.565 0.020 . 2 . . . . A 19 ASP HB3 . 34776 1
161 . 1 . 1 19 19 ASP CB C 13 40.448 0.400 . 1 . . . . A 19 ASP CB . 34776 1
162 . 1 . 1 19 19 ASP N N 15 111.065 0.400 . 1 . . . . A 19 ASP N . 34776 1
163 . 1 . 1 20 20 ASN H H 1 7.189 0.020 . 1 . . . . A 20 ASN H . 34776 1
164 . 1 . 1 20 20 ASN HA H 1 5.385 0.020 . 1 . . . . A 20 ASN HA . 34776 1
165 . 1 . 1 20 20 ASN HB2 H 1 2.754 0.020 . 2 . . . . A 20 ASN HB2 . 34776 1
166 . 1 . 1 20 20 ASN HB3 H 1 2.029 0.020 . 2 . . . . A 20 ASN HB3 . 34776 1
167 . 1 . 1 20 20 ASN HD21 H 1 7.554 0.020 . 2 . . . . A 20 ASN HD21 . 34776 1
168 . 1 . 1 20 20 ASN HD22 H 1 6.937 0.020 . 2 . . . . A 20 ASN HD22 . 34776 1
169 . 1 . 1 20 20 ASN CA C 13 52.729 0.400 . 1 . . . . A 20 ASN CA . 34776 1
170 . 1 . 1 20 20 ASN CB C 13 40.449 0.400 . 1 . . . . A 20 ASN CB . 34776 1
171 . 1 . 1 20 20 ASN N N 15 115.671 0.400 . 1 . . . . A 20 ASN N . 34776 1
172 . 1 . 1 20 20 ASN ND2 N 15 112.285 0.400 . 1 . . . . A 20 ASN ND2 . 34776 1
173 . 1 . 1 21 21 GLN H H 1 9.100 0.020 . 1 . . . . A 21 GLN H . 34776 1
174 . 1 . 1 21 21 GLN HA H 1 4.513 0.020 . 1 . . . . A 21 GLN HA . 34776 1
175 . 1 . 1 21 21 GLN HB2 H 1 1.633 0.020 . 2 . . . . A 21 GLN HB2 . 34776 1
176 . 1 . 1 21 21 GLN HB3 H 1 0.662 0.020 . 2 . . . . A 21 GLN HB3 . 34776 1
177 . 1 . 1 21 21 GLN HG2 H 1 1.840 0.020 . 2 . . . . A 21 GLN HG2 . 34776 1
178 . 1 . 1 21 21 GLN HG3 H 1 1.891 0.020 . 2 . . . . A 21 GLN HG3 . 34776 1
179 . 1 . 1 21 21 GLN HE21 H 1 7.229 0.020 . 2 . . . . A 21 GLN HE21 . 34776 1
180 . 1 . 1 21 21 GLN HE22 H 1 6.711 0.020 . 2 . . . . A 21 GLN HE22 . 34776 1
181 . 1 . 1 21 21 GLN CB C 13 32.122 0.400 . 1 . . . . A 21 GLN CB . 34776 1
182 . 1 . 1 21 21 GLN CG C 13 32.303 0.400 . 1 . . . . A 21 GLN CG . 34776 1
183 . 1 . 1 21 21 GLN N N 15 121.140 0.400 . 1 . . . . A 21 GLN N . 34776 1
184 . 1 . 1 21 21 GLN NE2 N 15 110.072 0.400 . 1 . . . . A 21 GLN NE2 . 34776 1
185 . 1 . 1 22 22 CYS H H 1 10.118 0.020 . 1 . . . . A 22 CYS H . 34776 1
186 . 1 . 1 22 22 CYS HA H 1 4.817 0.020 . 1 . . . . A 22 CYS HA . 34776 1
187 . 1 . 1 22 22 CYS HB2 H 1 2.609 0.020 . 1 . . . . A 22 CYS HB2 . 34776 1
188 . 1 . 1 22 22 CYS HB3 H 1 2.789 0.020 . 1 . . . . A 22 CYS HB3 . 34776 1
189 . 1 . 1 22 22 CYS CB C 13 37.564 0.400 . 1 . . . . A 22 CYS CB . 34776 1
190 . 1 . 1 22 22 CYS N N 15 123.481 0.400 . 1 . . . . A 22 CYS N . 34776 1
191 . 1 . 1 23 23 TYR H H 1 8.700 0.020 . 1 . . . . A 23 TYR H . 34776 1
192 . 1 . 1 23 23 TYR HA H 1 4.436 0.020 . 1 . . . . A 23 TYR HA . 34776 1
193 . 1 . 1 23 23 TYR HB2 H 1 2.672 0.020 . 1 . . . . A 23 TYR HB2 . 34776 1
194 . 1 . 1 23 23 TYR HB3 H 1 3.007 0.020 . 1 . . . . A 23 TYR HB3 . 34776 1
195 . 1 . 1 23 23 TYR HD1 H 1 6.930 0.020 . 1 . . . . A 23 TYR HD1 . 34776 1
196 . 1 . 1 23 23 TYR HD2 H 1 6.930 0.020 . 1 . . . . A 23 TYR HD2 . 34776 1
197 . 1 . 1 23 23 TYR CA C 13 56.796 0.400 . 1 . . . . A 23 TYR CA . 34776 1
198 . 1 . 1 23 23 TYR CB C 13 39.997 0.400 . 1 . . . . A 23 TYR CB . 34776 1
199 . 1 . 1 23 23 TYR CD2 C 13 133.049 0.400 . 3 . . . . A 23 TYR CD2 . 34776 1
200 . 1 . 1 23 23 TYR N N 15 130.650 0.400 . 1 . . . . A 23 TYR N . 34776 1
201 . 1 . 1 24 24 CYS H H 1 8.230 0.020 . 1 . . . . A 24 CYS H . 34776 1
202 . 1 . 1 24 24 CYS HA H 1 4.910 0.020 . 1 . . . . A 24 CYS HA . 34776 1
203 . 1 . 1 24 24 CYS HB2 H 1 2.584 0.020 . 1 . . . . A 24 CYS HB2 . 34776 1
204 . 1 . 1 24 24 CYS HB3 H 1 2.778 0.020 . 1 . . . . A 24 CYS HB3 . 34776 1
205 . 1 . 1 24 24 CYS CA C 13 56.328 0.400 . 1 . . . . A 24 CYS CA . 34776 1
206 . 1 . 1 24 24 CYS CB C 13 42.573 0.400 . 1 . . . . A 24 CYS CB . 34776 1
207 . 1 . 1 24 24 CYS N N 15 129.056 0.400 . 1 . . . . A 24 CYS N . 34776 1
208 . 1 . 1 25 25 PRO HA H 1 4.272 0.020 . 1 . . . . A 25 PRO HA . 34776 1
209 . 1 . 1 25 25 PRO HB2 H 1 1.731 0.020 . 1 . . . . A 25 PRO HB2 . 34776 1
210 . 1 . 1 25 25 PRO HB3 H 1 2.202 0.020 . 1 . . . . A 25 PRO HB3 . 34776 1
211 . 1 . 1 25 25 PRO HG2 H 1 1.877 0.020 . 2 . . . . A 25 PRO HG2 . 34776 1
212 . 1 . 1 25 25 PRO HG3 H 1 1.801 0.020 . 2 . . . . A 25 PRO HG3 . 34776 1
213 . 1 . 1 25 25 PRO HD2 H 1 3.609 0.020 . 2 . . . . A 25 PRO HD2 . 34776 1
214 . 1 . 1 25 25 PRO HD3 H 1 3.546 0.020 . 2 . . . . A 25 PRO HD3 . 34776 1
215 . 1 . 1 25 25 PRO CA C 13 60.959 0.400 . 1 . . . . A 25 PRO CA . 34776 1
216 . 1 . 1 25 25 PRO CB C 13 30.766 0.400 . 1 . . . . A 25 PRO CB . 34776 1
217 . 1 . 1 25 25 PRO CG C 13 27.121 0.400 . 1 . . . . A 25 PRO CG . 34776 1
218 . 1 . 1 25 25 PRO CD C 13 51.090 0.400 . 1 . . . . A 25 PRO CD . 34776 1
219 . 1 . 1 26 26 PRO HA H 1 4.328 0.020 . 1 . . . . A 26 PRO HA . 34776 1
220 . 1 . 1 26 26 PRO HB2 H 1 2.240 0.020 . 2 . . . . A 26 PRO HB2 . 34776 1
221 . 1 . 1 26 26 PRO HB3 H 1 1.867 0.020 . 2 . . . . A 26 PRO HB3 . 34776 1
222 . 1 . 1 26 26 PRO HG2 H 1 2.054 0.020 . 2 . . . . A 26 PRO HG2 . 34776 1
223 . 1 . 1 26 26 PRO HG3 H 1 2.003 0.020 . 2 . . . . A 26 PRO HG3 . 34776 1
224 . 1 . 1 26 26 PRO HD2 H 1 3.767 0.020 . 2 . . . . A 26 PRO HD2 . 34776 1
225 . 1 . 1 26 26 PRO HD3 H 1 3.567 0.020 . 2 . . . . A 26 PRO HD3 . 34776 1
226 . 1 . 1 26 26 PRO CA C 13 63.518 0.400 . 1 . . . . A 26 PRO CA . 34776 1
227 . 1 . 1 26 26 PRO CB C 13 33.336 0.400 . 1 . . . . A 26 PRO CB . 34776 1
228 . 1 . 1 26 26 PRO CG C 13 27.496 0.400 . 1 . . . . A 26 PRO CG . 34776 1
229 . 1 . 1 26 26 PRO CD C 13 50.476 0.400 . 1 . . . . A 26 PRO CD . 34776 1
230 . 1 . 1 27 27 GLY H H 1 8.450 0.020 . 1 . . . . A 27 GLY H . 34776 1
231 . 1 . 1 27 27 GLY HA2 H 1 4.101 0.020 . 2 . . . . A 27 GLY HA2 . 34776 1
232 . 1 . 1 27 27 GLY HA3 H 1 3.858 0.020 . 2 . . . . A 27 GLY HA3 . 34776 1
233 . 1 . 1 27 27 GLY CA C 13 45.410 0.400 . 1 . . . . A 27 GLY CA . 34776 1
234 . 1 . 1 27 27 GLY N N 15 109.923 0.400 . 1 . . . . A 27 GLY N . 34776 1
235 . 1 . 1 28 28 SER H H 1 8.270 0.020 . 1 . . . . A 28 SER H . 34776 1
236 . 1 . 1 28 28 SER HA H 1 4.471 0.020 . 1 . . . . A 28 SER HA . 34776 1
237 . 1 . 1 28 28 SER HB2 H 1 3.871 0.020 . 2 . . . . A 28 SER HB2 . 34776 1
238 . 1 . 1 28 28 SER HB3 H 1 3.725 0.020 . 2 . . . . A 28 SER HB3 . 34776 1
239 . 1 . 1 28 28 SER CB C 13 63.750 0.400 . 1 . . . . A 28 SER CB . 34776 1
240 . 1 . 1 28 28 SER N N 15 116.756 0.400 . 1 . . . . A 28 SER N . 34776 1
241 . 1 . 1 29 29 SER H H 1 8.386 0.020 . 1 . . . . A 29 SER H . 34776 1
242 . 1 . 1 29 29 SER HA H 1 4.672 0.020 . 1 . . . . A 29 SER HA . 34776 1
243 . 1 . 1 29 29 SER HB2 H 1 4.330 0.020 . 2 . . . . A 29 SER HB2 . 34776 1
244 . 1 . 1 29 29 SER HB3 H 1 3.863 0.020 . 2 . . . . A 29 SER HB3 . 34776 1
245 . 1 . 1 29 29 SER CB C 13 63.535 0.400 . 1 . . . . A 29 SER CB . 34776 1
246 . 1 . 1 29 29 SER N N 15 117.885 0.400 . 1 . . . . A 29 SER N . 34776 1
247 . 1 . 1 30 30 LEU H H 1 7.883 0.020 . 1 . . . . A 30 LEU H . 34776 1
248 . 1 . 1 30 30 LEU HA H 1 4.334 0.020 . 1 . . . . A 30 LEU HA . 34776 1
249 . 1 . 1 30 30 LEU HB2 H 1 1.658 0.020 . 2 . . . . A 30 LEU HB2 . 34776 1
250 . 1 . 1 30 30 LEU HB3 H 1 1.626 0.020 . 2 . . . . A 30 LEU HB3 . 34776 1
251 . 1 . 1 30 30 LEU HD11 H 1 0.893 0.020 . 2 . . . . A 30 LEU HD11 . 34776 1
252 . 1 . 1 30 30 LEU HD12 H 1 0.893 0.020 . 2 . . . . A 30 LEU HD12 . 34776 1
253 . 1 . 1 30 30 LEU HD13 H 1 0.893 0.020 . 2 . . . . A 30 LEU HD13 . 34776 1
254 . 1 . 1 30 30 LEU HD21 H 1 0.820 0.020 . 2 . . . . A 30 LEU HD21 . 34776 1
255 . 1 . 1 30 30 LEU HD22 H 1 0.820 0.020 . 2 . . . . A 30 LEU HD22 . 34776 1
256 . 1 . 1 30 30 LEU HD23 H 1 0.820 0.020 . 2 . . . . A 30 LEU HD23 . 34776 1
257 . 1 . 1 30 30 LEU CA C 13 55.392 0.400 . 1 . . . . A 30 LEU CA . 34776 1
258 . 1 . 1 30 30 LEU CB C 13 42.235 0.400 . 1 . . . . A 30 LEU CB . 34776 1
259 . 1 . 1 30 30 LEU CD1 C 13 25.041 0.400 . 2 . . . . A 30 LEU CD1 . 34776 1
260 . 1 . 1 30 30 LEU CD2 C 13 23.113 0.400 . 2 . . . . A 30 LEU CD2 . 34776 1
261 . 1 . 1 30 30 LEU N N 15 121.636 0.400 . 1 . . . . A 30 LEU N . 34776 1
262 . 1 . 1 31 31 GLY H H 1 8.005 0.020 . 1 . . . . A 31 GLY H . 34776 1
263 . 1 . 1 31 31 GLY HA2 H 1 3.975 0.020 . 2 . . . . A 31 GLY HA2 . 34776 1
264 . 1 . 1 31 31 GLY HA3 H 1 3.765 0.020 . 2 . . . . A 31 GLY HA3 . 34776 1
265 . 1 . 1 31 31 GLY CA C 13 45.392 0.400 . 1 . . . . A 31 GLY CA . 34776 1
266 . 1 . 1 31 31 GLY N N 15 107.867 0.400 . 1 . . . . A 31 GLY N . 34776 1
267 . 1 . 1 32 32 ILE H H 1 7.528 0.020 . 1 . . . . A 32 ILE H . 34776 1
268 . 1 . 1 32 32 ILE HA H 1 3.956 0.020 . 1 . . . . A 32 ILE HA . 34776 1
269 . 1 . 1 32 32 ILE HB H 1 1.586 0.020 . 1 . . . . A 32 ILE HB . 34776 1
270 . 1 . 1 32 32 ILE HG12 H 1 1.170 0.020 . 2 . . . . A 32 ILE HG12 . 34776 1
271 . 1 . 1 32 32 ILE HG13 H 1 0.966 0.020 . 2 . . . . A 32 ILE HG13 . 34776 1
272 . 1 . 1 32 32 ILE HG21 H 1 0.733 0.020 . 1 . . . . A 32 ILE HG21 . 34776 1
273 . 1 . 1 32 32 ILE HG22 H 1 0.733 0.020 . 1 . . . . A 32 ILE HG22 . 34776 1
274 . 1 . 1 32 32 ILE HG23 H 1 0.733 0.020 . 1 . . . . A 32 ILE HG23 . 34776 1
275 . 1 . 1 32 32 ILE HD11 H 1 0.589 0.020 . 1 . . . . A 32 ILE HD11 . 34776 1
276 . 1 . 1 32 32 ILE HD12 H 1 0.589 0.020 . 1 . . . . A 32 ILE HD12 . 34776 1
277 . 1 . 1 32 32 ILE HD13 H 1 0.589 0.020 . 1 . . . . A 32 ILE HD13 . 34776 1
278 . 1 . 1 32 32 ILE CA C 13 61.648 0.400 . 1 . . . . A 32 ILE CA . 34776 1
279 . 1 . 1 32 32 ILE CB C 13 38.483 0.400 . 1 . . . . A 32 ILE CB . 34776 1
280 . 1 . 1 32 32 ILE CG1 C 13 27.009 0.400 . 1 . . . . A 32 ILE CG1 . 34776 1
281 . 1 . 1 32 32 ILE CG2 C 13 12.761 0.400 . 1 . . . . A 32 ILE CG2 . 34776 1
282 . 1 . 1 32 32 ILE CD1 C 13 17.282 0.400 . 1 . . . . A 32 ILE CD1 . 34776 1
283 . 1 . 1 32 32 ILE N N 15 118.474 0.400 . 1 . . . . A 32 ILE N . 34776 1
284 . 1 . 1 33 33 PHE H H 1 7.780 0.020 . 1 . . . . A 33 PHE H . 34776 1
285 . 1 . 1 33 33 PHE HA H 1 4.712 0.020 . 1 . . . . A 33 PHE HA . 34776 1
286 . 1 . 1 33 33 PHE HB2 H 1 2.654 0.020 . 1 . . . . A 33 PHE HB2 . 34776 1
287 . 1 . 1 33 33 PHE HB3 H 1 3.152 0.020 . 1 . . . . A 33 PHE HB3 . 34776 1
288 . 1 . 1 33 33 PHE HD2 H 1 7.261 0.020 . 1 . . . . A 33 PHE HD2 . 34776 1
289 . 1 . 1 33 33 PHE HE2 H 1 7.244 0.020 . 1 . . . . A 33 PHE HE2 . 34776 1
290 . 1 . 1 33 33 PHE HZ H 1 7.168 0.020 . 1 . . . . A 33 PHE HZ . 34776 1
291 . 1 . 1 33 33 PHE CB C 13 40.761 0.400 . 1 . . . . A 33 PHE CB . 34776 1
292 . 1 . 1 33 33 PHE CD1 C 13 131.508 0.400 . 3 . . . . A 33 PHE CD1 . 34776 1
293 . 1 . 1 33 33 PHE CD2 C 13 131.464 0.400 . 3 . . . . A 33 PHE CD2 . 34776 1
294 . 1 . 1 33 33 PHE CE2 C 13 129.844 0.400 . 3 . . . . A 33 PHE CE2 . 34776 1
295 . 1 . 1 33 33 PHE CZ C 13 131.442 0.400 . 1 . . . . A 33 PHE CZ . 34776 1
296 . 1 . 1 33 33 PHE N N 15 120.774 0.400 . 1 . . . . A 33 PHE N . 34776 1
297 . 1 . 1 34 34 LYS H H 1 8.202 0.020 . 1 . . . . A 34 LYS H . 34776 1
298 . 1 . 1 34 34 LYS HA H 1 4.388 0.020 . 1 . . . . A 34 LYS HA . 34776 1
299 . 1 . 1 34 34 LYS HB2 H 1 1.872 0.020 . 2 . . . . A 34 LYS HB2 . 34776 1
300 . 1 . 1 34 34 LYS HB3 H 1 1.697 0.020 . 2 . . . . A 34 LYS HB3 . 34776 1
301 . 1 . 1 34 34 LYS HG2 H 1 1.369 0.020 . 2 . . . . A 34 LYS HG2 . 34776 1
302 . 1 . 1 34 34 LYS HG3 H 1 1.369 0.020 . 2 . . . . A 34 LYS HG3 . 34776 1
303 . 1 . 1 34 34 LYS HD2 H 1 1.648 0.020 . 2 . . . . A 34 LYS HD2 . 34776 1
304 . 1 . 1 34 34 LYS HD3 H 1 1.648 0.020 . 2 . . . . A 34 LYS HD3 . 34776 1
305 . 1 . 1 34 34 LYS HE2 H 1 2.905 0.020 . 2 . . . . A 34 LYS HE2 . 34776 1
306 . 1 . 1 34 34 LYS HE3 H 1 2.905 0.020 . 2 . . . . A 34 LYS HE3 . 34776 1
307 . 1 . 1 34 34 LYS CA C 13 55.223 0.400 . 1 . . . . A 34 LYS CA . 34776 1
308 . 1 . 1 34 34 LYS CB C 13 33.111 0.400 . 1 . . . . A 34 LYS CB . 34776 1
309 . 1 . 1 34 34 LYS CG C 13 23.480 0.400 . 1 . . . . A 34 LYS CG . 34776 1
310 . 1 . 1 34 34 LYS CD C 13 28.954 0.400 . 1 . . . . A 34 LYS CD . 34776 1
311 . 1 . 1 34 34 LYS CE C 13 42.325 0.400 . 1 . . . . A 34 LYS CE . 34776 1
312 . 1 . 1 34 34 LYS N N 15 120.682 0.400 . 1 . . . . A 34 LYS N . 34776 1
313 . 1 . 1 35 35 CYS H H 1 8.522 0.020 . 1 . . . . A 35 CYS H . 34776 1
314 . 1 . 1 35 35 CYS HA H 1 5.134 0.020 . 1 . . . . A 35 CYS HA . 34776 1
315 . 1 . 1 35 35 CYS HB2 H 1 3.644 0.020 . 2 . . . . A 35 CYS HB2 . 34776 1
316 . 1 . 1 35 35 CYS HB3 H 1 2.542 0.020 . 2 . . . . A 35 CYS HB3 . 34776 1
317 . 1 . 1 35 35 CYS CA C 13 56.651 0.400 . 1 . . . . A 35 CYS CA . 34776 1
318 . 1 . 1 35 35 CYS CB C 13 48.209 0.400 . 1 . . . . A 35 CYS CB . 34776 1
319 . 1 . 1 35 35 CYS N N 15 121.203 0.400 . 1 . . . . A 35 CYS N . 34776 1
320 . 1 . 1 36 36 SER H H 1 8.617 0.020 . 1 . . . . A 36 SER H . 34776 1
321 . 1 . 1 36 36 SER HA H 1 5.225 0.020 . 1 . . . . A 36 SER HA . 34776 1
322 . 1 . 1 36 36 SER HB2 H 1 3.534 0.020 . 2 . . . . A 36 SER HB2 . 34776 1
323 . 1 . 1 36 36 SER HB3 H 1 3.328 0.020 . 2 . . . . A 36 SER HB3 . 34776 1
324 . 1 . 1 36 36 SER CA C 13 57.766 0.400 . 1 . . . . A 36 SER CA . 34776 1
325 . 1 . 1 36 36 SER CB C 13 66.566 0.400 . 1 . . . . A 36 SER CB . 34776 1
326 . 1 . 1 36 36 SER N N 15 113.580 0.400 . 1 . . . . A 36 SER N . 34776 1
327 . 1 . 1 37 37 CYS H H 1 8.359 0.020 . 1 . . . . A 37 CYS H . 34776 1
328 . 1 . 1 37 37 CYS HA H 1 5.301 0.020 . 1 . . . . A 37 CYS HA . 34776 1
329 . 1 . 1 37 37 CYS HB2 H 1 2.923 0.020 . 1 . . . . A 37 CYS HB2 . 34776 1
330 . 1 . 1 37 37 CYS HB3 H 1 3.088 0.020 . 1 . . . . A 37 CYS HB3 . 34776 1
331 . 1 . 1 37 37 CYS CA C 13 55.585 0.400 . 1 . . . . A 37 CYS CA . 34776 1
332 . 1 . 1 37 37 CYS CB C 13 39.814 0.400 . 1 . . . . A 37 CYS CB . 34776 1
333 . 1 . 1 37 37 CYS N N 15 121.376 0.400 . 1 . . . . A 37 CYS N . 34776 1
334 . 1 . 1 38 38 ALA H H 1 10.040 0.020 . 1 . . . . A 38 ALA H . 34776 1
335 . 1 . 1 38 38 ALA HA H 1 4.661 0.020 . 1 . . . . A 38 ALA HA . 34776 1
336 . 1 . 1 38 38 ALA HB1 H 1 1.323 0.020 . 1 . . . . A 38 ALA HB1 . 34776 1
337 . 1 . 1 38 38 ALA HB2 H 1 1.323 0.020 . 1 . . . . A 38 ALA HB2 . 34776 1
338 . 1 . 1 38 38 ALA HB3 H 1 1.323 0.020 . 1 . . . . A 38 ALA HB3 . 34776 1
339 . 1 . 1 38 38 ALA CB C 13 19.232 0.400 . 1 . . . . A 38 ALA CB . 34776 1
340 . 1 . 1 38 38 ALA N N 15 129.619 0.400 . 1 . . . . A 38 ALA N . 34776 1
341 . 1 . 1 39 39 HIS H H 1 8.785 0.020 . 1 . . . . A 39 HIS H . 34776 1
342 . 1 . 1 39 39 HIS HA H 1 4.831 0.020 . 1 . . . . A 39 HIS HA . 34776 1
343 . 1 . 1 39 39 HIS HB2 H 1 3.050 0.020 . 2 . . . . A 39 HIS HB2 . 34776 1
344 . 1 . 1 39 39 HIS HB3 H 1 2.985 0.020 . 2 . . . . A 39 HIS HB3 . 34776 1
345 . 1 . 1 39 39 HIS HD2 H 1 7.164 0.020 . 1 . . . . A 39 HIS HD2 . 34776 1
346 . 1 . 1 39 39 HIS HE1 H 1 8.555 0.020 . 1 . . . . A 39 HIS HE1 . 34776 1
347 . 1 . 1 39 39 HIS CB C 13 28.634 0.400 . 1 . . . . A 39 HIS CB . 34776 1
348 . 1 . 1 39 39 HIS CD2 C 13 131.142 0.400 . 1 . . . . A 39 HIS CD2 . 34776 1
349 . 1 . 1 39 39 HIS CE1 C 13 136.494 0.400 . 1 . . . . A 39 HIS CE1 . 34776 1
350 . 1 . 1 39 39 HIS N N 15 120.341 0.400 . 1 . . . . A 39 HIS N . 34776 1
351 . 1 . 1 40 40 ALA H H 1 8.592 0.020 . 1 . . . . A 40 ALA H . 34776 1
352 . 1 . 1 40 40 ALA HA H 1 4.353 0.020 . 1 . . . . A 40 ALA HA . 34776 1
353 . 1 . 1 40 40 ALA HB1 H 1 0.784 0.020 . 1 . . . . A 40 ALA HB1 . 34776 1
354 . 1 . 1 40 40 ALA HB2 H 1 0.784 0.020 . 1 . . . . A 40 ALA HB2 . 34776 1
355 . 1 . 1 40 40 ALA HB3 H 1 0.784 0.020 . 1 . . . . A 40 ALA HB3 . 34776 1
356 . 1 . 1 40 40 ALA CA C 13 59.618 0.400 . 1 . . . . A 40 ALA CA . 34776 1
357 . 1 . 1 40 40 ALA CB C 13 20.665 0.400 . 1 . . . . A 40 ALA CB . 34776 1
358 . 1 . 1 40 40 ALA N N 15 132.147 0.400 . 1 . . . . A 40 ALA N . 34776 1
359 . 1 . 1 41 41 ASN H H 1 7.549 0.020 . 1 . . . . A 41 ASN H . 34776 1
360 . 1 . 1 41 41 ASN HA H 1 4.478 0.020 . 1 . . . . A 41 ASN HA . 34776 1
361 . 1 . 1 41 41 ASN HB2 H 1 3.075 0.020 . 2 . . . . A 41 ASN HB2 . 34776 1
362 . 1 . 1 41 41 ASN HB3 H 1 2.960 0.020 . 2 . . . . A 41 ASN HB3 . 34776 1
363 . 1 . 1 41 41 ASN HD21 H 1 7.675 0.020 . 2 . . . . A 41 ASN HD21 . 34776 1
364 . 1 . 1 41 41 ASN HD22 H 1 7.021 0.020 . 2 . . . . A 41 ASN HD22 . 34776 1
365 . 1 . 1 41 41 ASN CB C 13 39.295 0.400 . 1 . . . . A 41 ASN CB . 34776 1
366 . 1 . 1 41 41 ASN N N 15 113.724 0.400 . 1 . . . . A 41 ASN N . 34776 1
367 . 1 . 1 41 41 ASN ND2 N 15 113.481 0.400 . 1 . . . . A 41 ASN ND2 . 34776 1
368 . 1 . 1 42 42 LYS H H 1 8.349 0.020 . 1 . . . . A 42 LYS H . 34776 1
369 . 1 . 1 42 42 LYS HA H 1 4.045 0.020 . 1 . . . . A 42 LYS HA . 34776 1
370 . 1 . 1 42 42 LYS HB2 H 1 1.701 0.020 . 2 . . . . A 42 LYS HB2 . 34776 1
371 . 1 . 1 42 42 LYS HB3 H 1 1.573 0.020 . 2 . . . . A 42 LYS HB3 . 34776 1
372 . 1 . 1 42 42 LYS HG2 H 1 1.047 0.020 . 2 . . . . A 42 LYS HG2 . 34776 1
373 . 1 . 1 42 42 LYS HG3 H 1 0.798 0.020 . 2 . . . . A 42 LYS HG3 . 34776 1
374 . 1 . 1 42 42 LYS HD2 H 1 1.497 0.020 . 2 . . . . A 42 LYS HD2 . 34776 1
375 . 1 . 1 42 42 LYS HD3 H 1 1.497 0.020 . 2 . . . . A 42 LYS HD3 . 34776 1
376 . 1 . 1 42 42 LYS CA C 13 58.635 0.400 . 1 . . . . A 42 LYS CA . 34776 1
377 . 1 . 1 42 42 LYS CB C 13 32.139 0.400 . 1 . . . . A 42 LYS CB . 34776 1
378 . 1 . 1 42 42 LYS CG C 13 23.771 0.400 . 1 . . . . A 42 LYS CG . 34776 1
379 . 1 . 1 42 42 LYS CD C 13 29.259 0.400 . 1 . . . . A 42 LYS CD . 34776 1
380 . 1 . 1 42 42 LYS N N 15 117.757 0.400 . 1 . . . . A 42 LYS N . 34776 1
381 . 1 . 1 43 43 TYR H H 1 7.867 0.020 . 1 . . . . A 43 TYR H . 34776 1
382 . 1 . 1 43 43 TYR HA H 1 4.437 0.020 . 1 . . . . A 43 TYR HA . 34776 1
383 . 1 . 1 43 43 TYR HB2 H 1 2.930 0.020 . 1 . . . . A 43 TYR HB2 . 34776 1
384 . 1 . 1 43 43 TYR HB3 H 1 3.206 0.020 . 1 . . . . A 43 TYR HB3 . 34776 1
385 . 1 . 1 43 43 TYR HD1 H 1 7.061 0.020 . 1 . . . . A 43 TYR HD1 . 34776 1
386 . 1 . 1 43 43 TYR HD2 H 1 7.061 0.020 . 1 . . . . A 43 TYR HD2 . 34776 1
387 . 1 . 1 43 43 TYR HE1 H 1 6.834 0.020 . 1 . . . . A 43 TYR HE1 . 34776 1
388 . 1 . 1 43 43 TYR HE2 H 1 6.834 0.020 . 1 . . . . A 43 TYR HE2 . 34776 1
389 . 1 . 1 43 43 TYR CB C 13 37.402 0.400 . 1 . . . . A 43 TYR CB . 34776 1
390 . 1 . 1 43 43 TYR CD2 C 13 133.046 0.400 . 3 . . . . A 43 TYR CD2 . 34776 1
391 . 1 . 1 43 43 TYR CE2 C 13 118.363 0.400 . 3 . . . . A 43 TYR CE2 . 34776 1
392 . 1 . 1 43 43 TYR N N 15 119.460 0.400 . 1 . . . . A 43 TYR N . 34776 1
393 . 1 . 1 44 44 PHE H H 1 7.995 0.020 . 1 . . . . A 44 PHE H . 34776 1
394 . 1 . 1 44 44 PHE HA H 1 4.139 0.020 . 1 . . . . A 44 PHE HA . 34776 1
395 . 1 . 1 44 44 PHE HB2 H 1 2.943 0.020 . 1 . . . . A 44 PHE HB2 . 34776 1
396 . 1 . 1 44 44 PHE HB3 H 1 3.144 0.020 . 1 . . . . A 44 PHE HB3 . 34776 1
397 . 1 . 1 44 44 PHE HD1 H 1 7.160 0.020 . 1 . . . . A 44 PHE HD1 . 34776 1
398 . 1 . 1 44 44 PHE HD2 H 1 7.160 0.020 . 1 . . . . A 44 PHE HD2 . 34776 1
399 . 1 . 1 44 44 PHE HE1 H 1 7.171 0.020 . 1 . . . . A 44 PHE HE1 . 34776 1
400 . 1 . 1 44 44 PHE HE2 H 1 7.171 0.020 . 1 . . . . A 44 PHE HE2 . 34776 1
401 . 1 . 1 44 44 PHE HZ H 1 7.295 0.020 . 1 . . . . A 44 PHE HZ . 34776 1
402 . 1 . 1 44 44 PHE CA C 13 61.515 0.400 . 1 . . . . A 44 PHE CA . 34776 1
403 . 1 . 1 44 44 PHE CB C 13 40.518 0.400 . 1 . . . . A 44 PHE CB . 34776 1
404 . 1 . 1 44 44 PHE CD2 C 13 132.301 0.400 . 3 . . . . A 44 PHE CD2 . 34776 1
405 . 1 . 1 44 44 PHE CE2 C 13 131.882 0.400 . 3 . . . . A 44 PHE CE2 . 34776 1
406 . 1 . 1 44 44 PHE CZ C 13 131.871 0.400 . 1 . . . . A 44 PHE CZ . 34776 1
407 . 1 . 1 44 44 PHE N N 15 122.280 0.400 . 1 . . . . A 44 PHE N . 34776 1
408 . 1 . 1 45 45 CYS H H 1 8.269 0.020 . 1 . . . . A 45 CYS H . 34776 1
409 . 1 . 1 45 45 CYS HA H 1 4.599 0.020 . 1 . . . . A 45 CYS HA . 34776 1
410 . 1 . 1 45 45 CYS HB2 H 1 3.187 0.020 . 2 . . . . A 45 CYS HB2 . 34776 1
411 . 1 . 1 45 45 CYS HB3 H 1 2.933 0.020 . 2 . . . . A 45 CYS HB3 . 34776 1
412 . 1 . 1 45 45 CYS CB C 13 40.501 0.400 . 1 . . . . A 45 CYS CB . 34776 1
413 . 1 . 1 45 45 CYS N N 15 117.320 0.400 . 1 . . . . A 45 CYS N . 34776 1
414 . 1 . 1 46 46 ASN H H 1 7.839 0.020 . 1 . . . . A 46 ASN H . 34776 1
415 . 1 . 1 46 46 ASN HA H 1 4.249 0.020 . 1 . . . . A 46 ASN HA . 34776 1
416 . 1 . 1 46 46 ASN HB2 H 1 2.748 0.020 . 2 . . . . A 46 ASN HB2 . 34776 1
417 . 1 . 1 46 46 ASN HB3 H 1 2.748 0.020 . 2 . . . . A 46 ASN HB3 . 34776 1
418 . 1 . 1 46 46 ASN HD21 H 1 8.308 0.020 . 2 . . . . A 46 ASN HD21 . 34776 1
419 . 1 . 1 46 46 ASN HD22 H 1 6.590 0.020 . 2 . . . . A 46 ASN HD22 . 34776 1
420 . 1 . 1 46 46 ASN CA C 13 56.301 0.400 . 1 . . . . A 46 ASN CA . 34776 1
421 . 1 . 1 46 46 ASN CB C 13 37.785 0.400 . 1 . . . . A 46 ASN CB . 34776 1
422 . 1 . 1 46 46 ASN N N 15 115.684 0.400 . 1 . . . . A 46 ASN N . 34776 1
423 . 1 . 1 46 46 ASN ND2 N 15 114.272 0.400 . 1 . . . . A 46 ASN ND2 . 34776 1
424 . 1 . 1 47 47 ARG H H 1 7.124 0.020 . 1 . . . . A 47 ARG H . 34776 1
425 . 1 . 1 47 47 ARG HA H 1 4.068 0.020 . 1 . . . . A 47 ARG HA . 34776 1
426 . 1 . 1 47 47 ARG HB2 H 1 1.691 0.020 . 2 . . . . A 47 ARG HB2 . 34776 1
427 . 1 . 1 47 47 ARG HB3 H 1 1.673 0.020 . 2 . . . . A 47 ARG HB3 . 34776 1
428 . 1 . 1 47 47 ARG HG2 H 1 1.558 0.020 . 2 . . . . A 47 ARG HG2 . 34776 1
429 . 1 . 1 47 47 ARG HG3 H 1 1.558 0.020 . 2 . . . . A 47 ARG HG3 . 34776 1
430 . 1 . 1 47 47 ARG HD2 H 1 3.163 0.020 . 2 . . . . A 47 ARG HD2 . 34776 1
431 . 1 . 1 47 47 ARG HD3 H 1 3.163 0.020 . 2 . . . . A 47 ARG HD3 . 34776 1
432 . 1 . 1 47 47 ARG HE H 1 7.254 0.020 . 1 . . . . A 47 ARG HE . 34776 1
433 . 1 . 1 47 47 ARG CA C 13 58.042 0.400 . 1 . . . . A 47 ARG CA . 34776 1
434 . 1 . 1 47 47 ARG CB C 13 29.780 0.400 . 1 . . . . A 47 ARG CB . 34776 1
435 . 1 . 1 47 47 ARG CG C 13 26.993 0.400 . 1 . . . . A 47 ARG CG . 34776 1
436 . 1 . 1 47 47 ARG CD C 13 43.337 0.400 . 1 . . . . A 47 ARG CD . 34776 1
437 . 1 . 1 47 47 ARG N N 15 118.867 0.400 . 1 . . . . A 47 ARG N . 34776 1
438 . 1 . 1 47 47 ARG NE N 15 84.722 0.400 . 1 . . . . A 47 ARG NE . 34776 1
439 . 1 . 1 48 48 LYS H H 1 8.498 0.020 . 1 . . . . A 48 LYS H . 34776 1
440 . 1 . 1 48 48 LYS HA H 1 3.489 0.020 . 1 . . . . A 48 LYS HA . 34776 1
441 . 1 . 1 48 48 LYS HB2 H 1 1.840 0.020 . 2 . . . . A 48 LYS HB2 . 34776 1
442 . 1 . 1 48 48 LYS HB3 H 1 1.819 0.020 . 2 . . . . A 48 LYS HB3 . 34776 1
443 . 1 . 1 48 48 LYS HG2 H 1 1.291 0.020 . 2 . . . . A 48 LYS HG2 . 34776 1
444 . 1 . 1 48 48 LYS HG3 H 1 1.291 0.020 . 2 . . . . A 48 LYS HG3 . 34776 1
445 . 1 . 1 48 48 LYS HD2 H 1 1.204 0.020 . 2 . . . . A 48 LYS HD2 . 34776 1
446 . 1 . 1 48 48 LYS HD3 H 1 1.204 0.020 . 2 . . . . A 48 LYS HD3 . 34776 1
447 . 1 . 1 48 48 LYS CA C 13 60.111 0.400 . 1 . . . . A 48 LYS CA . 34776 1
448 . 1 . 1 48 48 LYS CB C 13 33.107 0.400 . 1 . . . . A 48 LYS CB . 34776 1
449 . 1 . 1 48 48 LYS CG C 13 22.747 0.400 . 1 . . . . A 48 LYS CG . 34776 1
450 . 1 . 1 48 48 LYS CD C 13 32.361 0.400 . 1 . . . . A 48 LYS CD . 34776 1
451 . 1 . 1 48 48 LYS N N 15 123.600 0.400 . 1 . . . . A 48 LYS N . 34776 1
452 . 1 . 1 49 49 LYS H H 1 8.168 0.020 . 1 . . . . A 49 LYS H . 34776 1
453 . 1 . 1 49 49 LYS HA H 1 3.883 0.020 . 1 . . . . A 49 LYS HA . 34776 1
454 . 1 . 1 49 49 LYS HB2 H 1 1.791 0.020 . 2 . . . . A 49 LYS HB2 . 34776 1
455 . 1 . 1 49 49 LYS HB3 H 1 1.767 0.020 . 2 . . . . A 49 LYS HB3 . 34776 1
456 . 1 . 1 49 49 LYS HG2 H 1 1.400 0.020 . 2 . . . . A 49 LYS HG2 . 34776 1
457 . 1 . 1 49 49 LYS HG3 H 1 1.400 0.020 . 2 . . . . A 49 LYS HG3 . 34776 1
458 . 1 . 1 49 49 LYS HD2 H 1 1.618 0.020 . 2 . . . . A 49 LYS HD2 . 34776 1
459 . 1 . 1 49 49 LYS HD3 H 1 1.618 0.020 . 2 . . . . A 49 LYS HD3 . 34776 1
460 . 1 . 1 49 49 LYS CA C 13 59.287 0.400 . 1 . . . . A 49 LYS CA . 34776 1
461 . 1 . 1 49 49 LYS CB C 13 32.403 0.400 . 1 . . . . A 49 LYS CB . 34776 1
462 . 1 . 1 49 49 LYS CG C 13 24.494 0.400 . 1 . . . . A 49 LYS CG . 34776 1
463 . 1 . 1 49 49 LYS CD C 13 28.957 0.400 . 1 . . . . A 49 LYS CD . 34776 1
464 . 1 . 1 49 49 LYS N N 15 116.571 0.400 . 1 . . . . A 49 LYS N . 34776 1
465 . 1 . 1 50 50 GLU H H 1 6.951 0.020 . 1 . . . . A 50 GLU H . 34776 1
466 . 1 . 1 50 50 GLU HA H 1 4.111 0.020 . 1 . . . . A 50 GLU HA . 34776 1
467 . 1 . 1 50 50 GLU HB2 H 1 2.052 0.020 . 2 . . . . A 50 GLU HB2 . 34776 1
468 . 1 . 1 50 50 GLU HB3 H 1 2.035 0.020 . 2 . . . . A 50 GLU HB3 . 34776 1
469 . 1 . 1 50 50 GLU HG2 H 1 2.367 0.020 . 2 . . . . A 50 GLU HG2 . 34776 1
470 . 1 . 1 50 50 GLU HG3 H 1 2.241 0.020 . 2 . . . . A 50 GLU HG3 . 34776 1
471 . 1 . 1 50 50 GLU CA C 13 57.815 0.400 . 1 . . . . A 50 GLU CA . 34776 1
472 . 1 . 1 50 50 GLU CB C 13 29.818 0.400 . 1 . . . . A 50 GLU CB . 34776 1
473 . 1 . 1 50 50 GLU CG C 13 35.408 0.400 . 1 . . . . A 50 GLU CG . 34776 1
474 . 1 . 1 50 50 GLU N N 15 115.529 0.400 . 1 . . . . A 50 GLU N . 34776 1
475 . 1 . 1 51 51 LYS H H 1 7.847 0.020 . 1 . . . . A 51 LYS H . 34776 1
476 . 1 . 1 51 51 LYS HA H 1 4.250 0.020 . 1 . . . . A 51 LYS HA . 34776 1
477 . 1 . 1 51 51 LYS HB2 H 1 1.886 0.020 . 2 . . . . A 51 LYS HB2 . 34776 1
478 . 1 . 1 51 51 LYS HB3 H 1 1.813 0.020 . 2 . . . . A 51 LYS HB3 . 34776 1
479 . 1 . 1 51 51 LYS HG2 H 1 1.474 0.020 . 2 . . . . A 51 LYS HG2 . 34776 1
480 . 1 . 1 51 51 LYS HG3 H 1 1.474 0.020 . 2 . . . . A 51 LYS HG3 . 34776 1
481 . 1 . 1 51 51 LYS HD2 H 1 1.646 0.020 . 2 . . . . A 51 LYS HD2 . 34776 1
482 . 1 . 1 51 51 LYS HD3 H 1 1.646 0.020 . 2 . . . . A 51 LYS HD3 . 34776 1
483 . 1 . 1 51 51 LYS HE2 H 1 2.959 0.020 . 2 . . . . A 51 LYS HE2 . 34776 1
484 . 1 . 1 51 51 LYS HE3 H 1 2.959 0.020 . 2 . . . . A 51 LYS HE3 . 34776 1
485 . 1 . 1 51 51 LYS CA C 13 58.200 0.400 . 1 . . . . A 51 LYS CA . 34776 1
486 . 1 . 1 51 51 LYS CB C 13 33.412 0.400 . 1 . . . . A 51 LYS CB . 34776 1
487 . 1 . 1 51 51 LYS CG C 13 25.034 0.400 . 1 . . . . A 51 LYS CG . 34776 1
488 . 1 . 1 51 51 LYS CD C 13 29.180 0.400 . 1 . . . . A 51 LYS CD . 34776 1
489 . 1 . 1 51 51 LYS CE C 13 42.162 0.400 . 1 . . . . A 51 LYS CE . 34776 1
490 . 1 . 1 51 51 LYS N N 15 117.679 0.400 . 1 . . . . A 51 LYS N . 34776 1
491 . 1 . 1 52 52 CYS H H 1 8.279 0.020 . 1 . . . . A 52 CYS H . 34776 1
492 . 1 . 1 52 52 CYS HA H 1 4.858 0.020 . 1 . . . . A 52 CYS HA . 34776 1
493 . 1 . 1 52 52 CYS HB2 H 1 2.796 0.020 . 1 . . . . A 52 CYS HB2 . 34776 1
494 . 1 . 1 52 52 CYS HB3 H 1 3.273 0.020 . 1 . . . . A 52 CYS HB3 . 34776 1
495 . 1 . 1 52 52 CYS CA C 13 53.583 0.400 . 1 . . . . A 52 CYS CA . 34776 1
496 . 1 . 1 52 52 CYS CB C 13 37.534 0.400 . 1 . . . . A 52 CYS CB . 34776 1
497 . 1 . 1 52 52 CYS N N 15 116.723 0.400 . 1 . . . . A 52 CYS N . 34776 1
498 . 1 . 1 53 53 LYS H H 1 7.653 0.020 . 1 . . . . A 53 LYS H . 34776 1
499 . 1 . 1 53 53 LYS HA H 1 4.177 0.020 . 1 . . . . A 53 LYS HA . 34776 1
500 . 1 . 1 53 53 LYS HB2 H 1 1.837 0.020 . 2 . . . . A 53 LYS HB2 . 34776 1
501 . 1 . 1 53 53 LYS HB3 H 1 1.837 0.020 . 2 . . . . A 53 LYS HB3 . 34776 1
502 . 1 . 1 53 53 LYS HG2 H 1 1.371 0.020 . 2 . . . . A 53 LYS HG2 . 34776 1
503 . 1 . 1 53 53 LYS HG3 H 1 1.371 0.020 . 2 . . . . A 53 LYS HG3 . 34776 1
504 . 1 . 1 53 53 LYS HD2 H 1 1.653 0.020 . 2 . . . . A 53 LYS HD2 . 34776 1
505 . 1 . 1 53 53 LYS HD3 H 1 1.653 0.020 . 2 . . . . A 53 LYS HD3 . 34776 1
506 . 1 . 1 53 53 LYS HE2 H 1 2.973 0.020 . 2 . . . . A 53 LYS HE2 . 34776 1
507 . 1 . 1 53 53 LYS HE3 H 1 2.973 0.020 . 2 . . . . A 53 LYS HE3 . 34776 1
508 . 1 . 1 53 53 LYS CA C 13 57.032 0.400 . 1 . . . . A 53 LYS CA . 34776 1
509 . 1 . 1 53 53 LYS CB C 13 32.565 0.400 . 1 . . . . A 53 LYS CB . 34776 1
510 . 1 . 1 53 53 LYS CG C 13 24.809 0.400 . 1 . . . . A 53 LYS CG . 34776 1
511 . 1 . 1 53 53 LYS CD C 13 29.657 0.400 . 1 . . . . A 53 LYS CD . 34776 1
512 . 1 . 1 53 53 LYS CE C 13 42.168 0.400 . 1 . . . . A 53 LYS CE . 34776 1
513 . 1 . 1 53 53 LYS N N 15 121.721 0.400 . 1 . . . . A 53 LYS N . 34776 1
514 . 1 . 1 54 54 LYS H H 1 8.254 0.020 . 1 . . . . A 54 LYS H . 34776 1
515 . 1 . 1 54 54 LYS HA H 1 4.309 0.020 . 1 . . . . A 54 LYS HA . 34776 1
516 . 1 . 1 54 54 LYS HB2 H 1 1.700 0.020 . 1 . . . . A 54 LYS HB2 . 34776 1
517 . 1 . 1 54 54 LYS HB3 H 1 1.831 0.020 . 1 . . . . A 54 LYS HB3 . 34776 1
518 . 1 . 1 54 54 LYS HG2 H 1 1.400 0.020 . 2 . . . . A 54 LYS HG2 . 34776 1
519 . 1 . 1 54 54 LYS HG3 H 1 1.400 0.020 . 2 . . . . A 54 LYS HG3 . 34776 1
520 . 1 . 1 54 54 LYS HD2 H 1 1.650 0.020 . 2 . . . . A 54 LYS HD2 . 34776 1
521 . 1 . 1 54 54 LYS HD3 H 1 1.650 0.020 . 2 . . . . A 54 LYS HD3 . 34776 1
522 . 1 . 1 54 54 LYS HE2 H 1 2.971 0.020 . 2 . . . . A 54 LYS HE2 . 34776 1
523 . 1 . 1 54 54 LYS HE3 H 1 2.971 0.020 . 2 . . . . A 54 LYS HE3 . 34776 1
524 . 1 . 1 54 54 LYS CA C 13 56.002 0.400 . 1 . . . . A 54 LYS CA . 34776 1
525 . 1 . 1 54 54 LYS CB C 13 33.118 0.400 . 1 . . . . A 54 LYS CB . 34776 1
526 . 1 . 1 54 54 LYS CG C 13 24.831 0.400 . 1 . . . . A 54 LYS CG . 34776 1
527 . 1 . 1 54 54 LYS CD C 13 29.704 0.400 . 1 . . . . A 54 LYS CD . 34776 1
528 . 1 . 1 54 54 LYS CE C 13 42.167 0.400 . 1 . . . . A 54 LYS CE . 34776 1
529 . 1 . 1 54 54 LYS N N 15 122.699 0.400 . 1 . . . . A 54 LYS N . 34776 1
530 . 1 . 1 55 55 ALA H H 1 7.909 0.020 . 1 . . . . A 55 ALA H . 34776 1
531 . 1 . 1 55 55 ALA HA H 1 4.046 0.020 . 1 . . . . A 55 ALA HA . 34776 1
532 . 1 . 1 55 55 ALA HB1 H 1 1.288 0.020 . 1 . . . . A 55 ALA HB1 . 34776 1
533 . 1 . 1 55 55 ALA HB2 H 1 1.288 0.020 . 1 . . . . A 55 ALA HB2 . 34776 1
534 . 1 . 1 55 55 ALA HB3 H 1 1.288 0.020 . 1 . . . . A 55 ALA HB3 . 34776 1
535 . 1 . 1 55 55 ALA CA C 13 53.665 0.400 . 1 . . . . A 55 ALA CA . 34776 1
536 . 1 . 1 55 55 ALA CB C 13 20.201 0.400 . 1 . . . . A 55 ALA CB . 34776 1
537 . 1 . 1 55 55 ALA N N 15 131.016 0.400 . 1 . . . . A 55 ALA N . 34776 1
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