###################################
# 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 52440
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name RBDstarCH
_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-15N HSQC' . . . 52440 1
2 '3D CBCA(CO)NH' . . . 52440 1
3 '3D HNCACB' . . . 52440 1
4 '3D HNCACO' . . . 52440 1
5 '3D HNCO' . . . 52440 1
6 '3D HNCA' . . . 52440 1
7 '3D HNCOCA' . . . 52440 1
8 '3D HBHA(CO)NH' . . . 52440 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52440 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 3 3 LYS HA H 1 4.346416445 0 . 1 . . . . . 3 LYS HA . 52440 1
2 . 1 . 1 3 3 LYS HB2 H 1 1.877745497 0 . 2 . . . . . 3 LYS HB . 52440 1
3 . 1 . 1 3 3 LYS HB3 H 1 1.877745497 0 . 2 . . . . . 3 LYS HB . 52440 1
4 . 1 . 1 3 3 LYS C C 13 176.5368444 0 . 1 . . . . . 3 LYS C . 52440 1
5 . 1 . 1 3 3 LYS CA C 13 56.32872924 0 . 1 . . . . . 3 LYS CA . 52440 1
6 . 1 . 1 3 3 LYS CB C 13 32.69984508 0 . 1 . . . . . 3 LYS CB . 52440 1
7 . 1 . 1 4 4 GLU H H 1 8.646886745 0 . 1 . . . . . 4 GLU H . 52440 1
8 . 1 . 1 4 4 GLU HA H 1 4.294280398 0 . 1 . . . . . 4 GLU HA . 52440 1
9 . 1 . 1 4 4 GLU HB2 H 1 2.038735879 0 . 2 . . . . . 4 GLU HB2 . 52440 1
10 . 1 . 1 4 4 GLU HB3 H 1 1.917135119 0 . 2 . . . . . 4 GLU HB3 . 52440 1
11 . 1 . 1 4 4 GLU HG2 H 1 2.291444528 0 . 2 . . . . . 4 GLU HG# . 52440 1
12 . 1 . 1 4 4 GLU HG3 H 1 2.291444528 0 . 2 . . . . . 4 GLU HG# . 52440 1
13 . 1 . 1 4 4 GLU C C 13 176.525061 0 . 1 . . . . . 4 GLU C . 52440 1
14 . 1 . 1 4 4 GLU CA C 13 57.01382924 0 . 1 . . . . . 4 GLU CA . 52440 1
15 . 1 . 1 4 4 GLU CB C 13 29.76814498 0 . 1 . . . . . 4 GLU CB . 52440 1
16 . 1 . 1 4 4 GLU N N 15 121.9586622 0 . 1 . . . . . 4 GLU N . 52440 1
17 . 1 . 1 5 5 SER H H 1 8.340018109 0 . 1 . . . . . 5 SER H . 52440 1
18 . 1 . 1 5 5 SER HA H 1 4.448020652 0 . 1 . . . . . 5 SER HA . 52440 1
19 . 1 . 1 5 5 SER HB2 H 1 3.865765489 0 . 2 . . . . . 5 SER HB . 52440 1
20 . 1 . 1 5 5 SER HB3 H 1 3.865765489 0 . 2 . . . . . 5 SER HB . 52440 1
21 . 1 . 1 5 5 SER C C 13 174.9404275 0 . 1 . . . . . 5 SER C . 52440 1
22 . 1 . 1 5 5 SER CA C 13 58.44325222 0 . 1 . . . . . 5 SER CA . 52440 1
23 . 1 . 1 5 5 SER CB C 13 63.7335375 0 . 1 . . . . . 5 SER CB . 52440 1
24 . 1 . 1 5 5 SER N N 15 116.6589985 0 . 1 . . . . . 5 SER N . 52440 1
25 . 1 . 1 6 6 GLY H H 1 8.308756168 0 . 1 . . . . . 6 GLY H . 52440 1
26 . 1 . 1 6 6 GLY HA2 H 1 3.928170695 0 . 2 . . . . . 6 GLY HA2 . 52440 1
27 . 1 . 1 6 6 GLY HA3 H 1 3.857048137 0 . 2 . . . . . 6 GLY HA3 . 52440 1
28 . 1 . 1 6 6 GLY C C 13 173.9335123 0 . 1 . . . . . 6 GLY C . 52440 1
29 . 1 . 1 6 6 GLY CA C 13 45.26394128 0 . 1 . . . . . 6 GLY CA . 52440 1
30 . 1 . 1 6 6 GLY N N 15 110.5488937 0 . 1 . . . . . 6 GLY N . 52440 1
31 . 1 . 1 7 7 LYS H H 1 8.361945331 0 . 1 . . . . . 7 LYS H . 52440 1
32 . 1 . 1 7 7 LYS HA H 1 4.390962464 0 . 1 . . . . . 7 LYS HA . 52440 1
33 . 1 . 1 7 7 LYS HB2 H 1 2.077834899 0 . 2 . . . . . 7 LYS HB2 . 52440 1
34 . 1 . 1 7 7 LYS C C 13 176.1318965 0 . 1 . . . . . 7 LYS C . 52440 1
35 . 1 . 1 7 7 LYS CA C 13 55.71887378 0 . 1 . . . . . 7 LYS CA . 52440 1
36 . 1 . 1 7 7 LYS CB C 13 29.29661244 0 . 1 . . . . . 7 LYS CB . 52440 1
37 . 1 . 1 7 7 LYS N N 15 119.9067044 0 . 1 . . . . . 7 LYS N . 52440 1
38 . 1 . 1 8 8 TRP HA H 1 4.237685116 0 . 1 . . . . . 8 TRP HA . 52440 1
39 . 1 . 1 8 8 TRP HB2 H 1 3.381653984 0 . 2 . . . . . 8 TRP HB# . 52440 1
40 . 1 . 1 8 8 TRP HB3 H 1 3.381653984 0 . 2 . . . . . 8 TRP HB# . 52440 1
41 . 1 . 1 8 8 TRP C C 13 177.2039629 0 . 1 . . . . . 8 TRP C . 52440 1
42 . 1 . 1 8 8 TRP CA C 13 58.4781782 0 . 1 . . . . . 8 TRP CA . 52440 1
43 . 1 . 1 8 8 TRP CB C 13 27.6798505 0 . 1 . . . . . 8 TRP CB . 52440 1
44 . 1 . 1 9 9 TRP H H 1 6.214268635 0 . 1 . . . . . 9 TRP H . 52440 1
45 . 1 . 1 9 9 TRP HA H 1 3.99199631 0 . 1 . . . . . 9 TRP HA . 52440 1
46 . 1 . 1 9 9 TRP HB2 H 1 2.159581509 0 . 2 . . . . . 9 TRP HB2 . 52440 1
47 . 1 . 1 9 9 TRP HB3 H 1 2.159581509 0 . 2 . . . . . 9 TRP HB3 . 52440 1
48 . 1 . 1 9 9 TRP C C 13 174.7071673 0 . 1 . . . . . 9 TRP C . 52440 1
49 . 1 . 1 9 9 TRP CA C 13 58.84608186 0 . 1 . . . . . 9 TRP CA . 52440 1
50 . 1 . 1 9 9 TRP CB C 13 26.67448819 0 . 1 . . . . . 9 TRP CB . 52440 1
51 . 1 . 1 9 9 TRP N N 15 117.4301019 0 . 1 . . . . . 9 TRP N . 52440 1
52 . 1 . 1 10 10 GLU H H 1 6.768724281 0 . 1 . . . . . 10 GLU H . 52440 1
53 . 1 . 1 10 10 GLU HA H 1 4.185360085 0 . 1 . . . . . 10 GLU HA . 52440 1
54 . 1 . 1 10 10 GLU HB2 H 1 1.947499858 0 . 2 . . . . . 10 GLU HB2 . 52440 1
55 . 1 . 1 10 10 GLU HB3 H 1 1.345546008 0 . 2 . . . . . 10 GLU HB3 . 52440 1
56 . 1 . 1 10 10 GLU C C 13 175.5252837 0 . 1 . . . . . 10 GLU C . 52440 1
57 . 1 . 1 10 10 GLU CA C 13 55.22429925 0 . 1 . . . . . 10 GLU CA . 52440 1
58 . 1 . 1 10 10 GLU CB C 13 29.1960411 0 . 1 . . . . . 10 GLU CB . 52440 1
59 . 1 . 1 10 10 GLU N N 15 120.3964321 0 . 1 . . . . . 10 GLU N . 52440 1
60 . 1 . 1 11 11 SER H H 1 7.084101544 0 . 1 . . . . . 11 SER H . 52440 1
61 . 1 . 1 11 11 SER HA H 1 4.405325386 0 . 1 . . . . . 11 SER HA . 52440 1
62 . 1 . 1 11 11 SER HB2 H 1 4.044657474 0 . 2 . . . . . 11 SER HB2 . 52440 1
63 . 1 . 1 11 11 SER HB3 H 1 3.791300087 0 . 2 . . . . . 11 SER HB3 . 52440 1
64 . 1 . 1 11 11 SER C C 13 173.4646304 0 . 1 . . . . . 11 SER C . 52440 1
65 . 1 . 1 11 11 SER CA C 13 57.72701638 0 . 1 . . . . . 11 SER CA . 52440 1
66 . 1 . 1 11 11 SER CB C 13 64.68875152 0 . 1 . . . . . 11 SER CB . 52440 1
67 . 1 . 1 11 11 SER N N 15 114.7726569 0 . 1 . . . . . 11 SER N . 52440 1
68 . 1 . 1 12 12 ASP H H 1 8.511250414 0 . 1 . . . . . 12 ASP H . 52440 1
69 . 1 . 1 12 12 ASP HA H 1 4.729614379 0 . 1 . . . . . 12 ASP HA . 52440 1
70 . 1 . 1 12 12 ASP HB2 H 1 2.757894493 0 . 2 . . . . . 12 ASP HB2 . 52440 1
71 . 1 . 1 12 12 ASP HB3 H 1 2.66911109 0 . 2 . . . . . 12 ASP HB3 . 52440 1
72 . 1 . 1 12 12 ASP C C 13 175.6449309 0 . 1 . . . . . 12 ASP C . 52440 1
73 . 1 . 1 12 12 ASP CA C 13 53.72266898 0 . 1 . . . . . 12 ASP CA . 52440 1
74 . 1 . 1 12 12 ASP CB C 13 40.52714357 0 . 1 . . . . . 12 ASP CB . 52440 1
75 . 1 . 1 12 12 ASP N N 15 120.9660871 0 . 1 . . . . . 12 ASP N . 52440 1
76 . 1 . 1 13 13 ASP H H 1 7.977414468 0 . 1 . . . . . 13 ASP H . 52440 1
77 . 1 . 1 13 13 ASP HA H 1 4.526441629 0 . 1 . . . . . 13 ASP HA . 52440 1
78 . 1 . 1 13 13 ASP HB2 H 1 2.821954479 0 . 2 . . . . . 13 ASP HB# . 52440 1
79 . 1 . 1 13 13 ASP HB3 H 1 2.821954479 0 . 2 . . . . . 13 ASP HB# . 52440 1
80 . 1 . 1 13 13 ASP C C 13 176.4239693 0 . 1 . . . . . 13 ASP C . 52440 1
81 . 1 . 1 13 13 ASP CA C 13 54.49499387 0 . 1 . . . . . 13 ASP CA . 52440 1
82 . 1 . 1 13 13 ASP CB C 13 42.7107136 0 . 1 . . . . . 13 ASP CB . 52440 1
83 . 1 . 1 13 13 ASP N N 15 121.4319231 0 . 1 . . . . . 13 ASP N . 52440 1
84 . 1 . 1 14 14 GLU H H 1 9.001404773 0 . 1 . . . . . 14 GLU H . 52440 1
85 . 1 . 1 14 14 GLU HA H 1 3.981273077 0 . 1 . . . . . 14 GLU HA . 52440 1
86 . 1 . 1 14 14 GLU HB2 H 1 2.064916054 0 . 2 . . . . . 14 GLU HB# . 52440 1
87 . 1 . 1 14 14 GLU HB3 H 1 2.064916054 0 . 2 . . . . . 14 GLU HB# . 52440 1
88 . 1 . 1 14 14 GLU C C 13 178.7161068 0 . 1 . . . . . 14 GLU C . 52440 1
89 . 1 . 1 14 14 GLU CA C 13 59.79924631 0 . 1 . . . . . 14 GLU CA . 52440 1
90 . 1 . 1 14 14 GLU CB C 13 29.69658453 0 . 1 . . . . . 14 GLU CB . 52440 1
91 . 1 . 1 14 14 GLU N N 15 125.071778 0 . 1 . . . . . 14 GLU N . 52440 1
92 . 1 . 1 15 15 PHE H H 1 8.421861542 0 . 1 . . . . . 15 PHE H . 52440 1
93 . 1 . 1 15 15 PHE HA H 1 4.411399382 0 . 1 . . . . . 15 PHE HA . 52440 1
94 . 1 . 1 15 15 PHE HB2 H 1 3.291841147 0 . 2 . . . . . 15 PHE HB# . 52440 1
95 . 1 . 1 15 15 PHE HB3 H 1 3.291841147 0 . 2 . . . . . 15 PHE HB# . 52440 1
96 . 1 . 1 15 15 PHE C C 13 177.3797936 0 . 1 . . . . . 15 PHE C . 52440 1
97 . 1 . 1 15 15 PHE CA C 13 61.23082037 0 . 1 . . . . . 15 PHE CA . 52440 1
98 . 1 . 1 15 15 PHE CB C 13 38.20582277 0 . 1 . . . . . 15 PHE CB . 52440 1
99 . 1 . 1 15 15 PHE N N 15 121.2239851 0 . 1 . . . . . 15 PHE N . 52440 1
100 . 1 . 1 16 16 ALA H H 1 8.089968766 0 . 1 . . . . . 16 ALA H . 52440 1
101 . 1 . 1 16 16 ALA HA H 1 4.190423335 0 . 1 . . . . . 16 ALA HA . 52440 1
102 . 1 . 1 16 16 ALA HB1 H 1 1.852601337 0 . 1 . . . . . 16 ALA HB . 52440 1
103 . 1 . 1 16 16 ALA HB2 H 1 1.852601337 0 . 1 . . . . . 16 ALA HB . 52440 1
104 . 1 . 1 16 16 ALA HB3 H 1 1.852601337 0 . 1 . . . . . 16 ALA HB . 52440 1
105 . 1 . 1 16 16 ALA C C 13 180.0758641 0 . 1 . . . . . 16 ALA C . 52440 1
106 . 1 . 1 16 16 ALA CA C 13 55.22429925 0 . 1 . . . . . 16 ALA CA . 52440 1
107 . 1 . 1 16 16 ALA CB C 13 18.84413815 0 . 1 . . . . . 16 ALA CB . 52440 1
108 . 1 . 1 16 16 ALA N N 15 123.7536914 0 . 1 . . . . . 16 ALA N . 52440 1
109 . 1 . 1 17 17 LYS H H 1 8.288867367 0 . 1 . . . . . 17 LYS H . 52440 1
110 . 1 . 1 17 17 LYS HA H 1 4.182130749 0 . 1 . . . . . 17 LYS HA . 52440 1
111 . 1 . 1 17 17 LYS HB2 H 1 1.881167814 0 . 2 . . . . . 17 LYS HB# . 52440 1
112 . 1 . 1 17 17 LYS HB3 H 1 1.881167814 0 . 2 . . . . . 17 LYS HB# . 52440 1
113 . 1 . 1 17 17 LYS C C 13 179.4435005 0 . 1 . . . . . 17 LYS C . 52440 1
114 . 1 . 1 17 17 LYS CA C 13 59.77044399 0 . 1 . . . . . 17 LYS CA . 52440 1
115 . 1 . 1 17 17 LYS CB C 13 32.19930166 0 . 1 . . . . . 17 LYS CB . 52440 1
116 . 1 . 1 17 17 LYS N N 15 116.0370081 0 . 1 . . . . . 17 LYS N . 52440 1
117 . 1 . 1 18 18 ALA H H 1 7.819807049 0 . 1 . . . . . 18 ALA H . 52440 1
118 . 1 . 1 18 18 ALA HA H 1 4.29959293 0 . 1 . . . . . 18 ALA HA . 52440 1
119 . 1 . 1 18 18 ALA HB1 H 1 1.602221713 0 . 1 . . . . . 18 ALA HB . 52440 1
120 . 1 . 1 18 18 ALA HB2 H 1 1.602221713 0 . 1 . . . . . 18 ALA HB . 52440 1
121 . 1 . 1 18 18 ALA HB3 H 1 1.602221713 0 . 1 . . . . . 18 ALA HB . 52440 1
122 . 1 . 1 18 18 ALA C C 13 180.9964944 0 . 1 . . . . . 18 ALA C . 52440 1
123 . 1 . 1 18 18 ALA CA C 13 55.22429925 0 . 1 . . . . . 18 ALA CA . 52440 1
124 . 1 . 1 18 18 ALA CB C 13 17.6835423 0 . 1 . . . . . 18 ALA CB . 52440 1
125 . 1 . 1 18 18 ALA N N 15 122.3601189 0 . 1 . . . . . 18 ALA N . 52440 1
126 . 1 . 1 19 19 VAL H H 1 8.223301145 0 . 1 . . . . . 19 VAL H . 52440 1
127 . 1 . 1 19 19 VAL HA H 1 3.000864875 0 . 1 . . . . . 19 VAL HA . 52440 1
128 . 1 . 1 19 19 VAL HB H 1 2.306312605 0 . 1 . . . . . 19 VAL HB . 52440 1
129 . 1 . 1 19 19 VAL C C 13 178.5754423 0 . 1 . . . . . 19 VAL C . 52440 1
130 . 1 . 1 19 19 VAL CA C 13 66.73679805 0 . 1 . . . . . 19 VAL CA . 52440 1
131 . 1 . 1 19 19 VAL CB C 13 31.19821481 0 . 1 . . . . . 19 VAL CB . 52440 1
132 . 1 . 1 19 19 VAL N N 15 121.5079322 0 . 1 . . . . . 19 VAL N . 52440 1
133 . 1 . 1 20 20 TYR H H 1 8.824098229 0 . 1 . . . . . 20 TYR H . 52440 1
134 . 1 . 1 20 20 TYR HA H 1 4.494608702 0 . 1 . . . . . 20 TYR HA . 52440 1
135 . 1 . 1 20 20 TYR C C 13 176.9109118 0 . 1 . . . . . 20 TYR C . 52440 1
136 . 1 . 1 20 20 TYR CA C 13 61.89571264 0 . 1 . . . . . 20 TYR CA . 52440 1
137 . 1 . 1 20 20 TYR CB C 13 37.70527934 0 . 1 . . . . . 20 TYR CB . 52440 1
138 . 1 . 1 20 20 TYR N N 15 120.4031183 0 . 1 . . . . . 20 TYR N . 52440 1
139 . 1 . 1 21 21 GLN H H 1 8.439900071 0 . 1 . . . . . 21 GLN H . 52440 1
140 . 1 . 1 21 21 GLN HA H 1 3.902838585 0 . 1 . . . . . 21 GLN HA . 52440 1
141 . 1 . 1 21 21 GLN HB2 H 1 2.297645973 0 . 2 . . . . . 21 GLN HB2 . 52440 1
142 . 1 . 1 21 21 GLN HB3 H 1 2.182117919 0 . 2 . . . . . 21 GLN HB3 . 52440 1
143 . 1 . 1 21 21 GLN C C 13 178.3175573 0 . 1 . . . . . 21 GLN C . 52440 1
144 . 1 . 1 21 21 GLN CA C 13 58.72810324 0 . 1 . . . . . 21 GLN CA . 52440 1
145 . 1 . 1 21 21 GLN CB C 13 27.69441082 0 . 1 . . . . . 21 GLN CB . 52440 1
146 . 1 . 1 21 21 GLN N N 15 117.2396058 0 . 1 . . . . . 21 GLN N . 52440 1
147 . 1 . 1 22 22 GLN H H 1 7.874524015 0 . 1 . . . . . 22 GLN H . 52440 1
148 . 1 . 1 22 22 GLN HA H 1 3.81260244 0 . 1 . . . . . 22 GLN HA . 52440 1
149 . 1 . 1 22 22 GLN HB2 H 1 2.095143385 0 . 2 . . . . . 22 GLN HB# . 52440 1
150 . 1 . 1 22 22 GLN HB3 H 1 2.095143385 0 . 2 . . . . . 22 GLN HB# . 52440 1
151 . 1 . 1 22 22 GLN C C 13 177.0046882 0 . 1 . . . . . 22 GLN C . 52440 1
152 . 1 . 1 22 22 GLN CA C 13 58.72805162 0 . 1 . . . . . 22 GLN CA . 52440 1
153 . 1 . 1 22 22 GLN CB C 13 28.69549768 0 . 1 . . . . . 22 GLN CB . 52440 1
154 . 1 . 1 22 22 GLN N N 15 120.0519616 0 . 1 . . . . . 22 GLN N . 52440 1
155 . 1 . 1 23 23 PHE H H 1 8.563575874 0 . 1 . . . . . 23 PHE H . 52440 1
156 . 1 . 1 23 23 PHE HA H 1 3.914884431 0 . 1 . . . . . 23 PHE HA . 52440 1
157 . 1 . 1 23 23 PHE HB2 H 1 2.903919209 0 . 2 . . . . . 23 PHE HB# . 52440 1
158 . 1 . 1 23 23 PHE HB3 H 1 2.903919209 0 . 2 . . . . . 23 PHE HB# . 52440 1
159 . 1 . 1 23 23 PHE C C 13 175.2932695 0 . 1 . . . . . 23 PHE C . 52440 1
160 . 1 . 1 23 23 PHE CA C 13 63.23299407 0 . 1 . . . . . 23 PHE CA . 52440 1
161 . 1 . 1 23 23 PHE CB C 13 37.70527934 0 . 1 . . . . . 23 PHE CB . 52440 1
162 . 1 . 1 23 23 PHE N N 15 118.677023 0 . 1 . . . . . 23 PHE N . 52440 1
163 . 1 . 1 24 24 VAL H H 1 8.566476021 0 . 1 . . . . . 24 VAL H . 52440 1
164 . 1 . 1 24 24 VAL HA H 1 2.919509816 0 . 1 . . . . . 24 VAL HA . 52440 1
165 . 1 . 1 24 24 VAL HB H 1 1.964734999 0 . 1 . . . . . 24 VAL HB . 52440 1
166 . 1 . 1 24 24 VAL C C 13 177.4867661 0 . 1 . . . . . 24 VAL C . 52440 1
167 . 1 . 1 24 24 VAL CA C 13 67.55072612 0 . 1 . . . . . 24 VAL CA . 52440 1
168 . 1 . 1 24 24 VAL CB C 13 31.1998219 0 . 1 . . . . . 24 VAL CB . 52440 1
169 . 1 . 1 24 24 VAL N N 15 120.1504321 0 . 1 . . . . . 24 VAL N . 52440 1
170 . 1 . 1 25 25 GLU H H 1 7.800684315 0 . 1 . . . . . 25 GLU H . 52440 1
171 . 1 . 1 25 25 GLU HA H 1 4.040680303 0 . 1 . . . . . 25 GLU HA . 52440 1
172 . 1 . 1 25 25 GLU HB2 H 1 2.101159747 0 . 2 . . . . . 25 GLU HB# . 52440 1
173 . 1 . 1 25 25 GLU HB3 H 1 2.101159747 0 . 2 . . . . . 25 GLU HB# . 52440 1
174 . 1 . 1 25 25 GLU C C 13 180.1930845 0 . 1 . . . . . 25 GLU C . 52440 1
175 . 1 . 1 25 25 GLU CA C 13 59.22864666 0 . 1 . . . . . 25 GLU CA . 52440 1
176 . 1 . 1 25 25 GLU CB C 13 29.1960411 0 . 1 . . . . . 25 GLU CB . 52440 1
177 . 1 . 1 25 25 GLU N N 15 118.4582812 0 . 1 . . . . . 25 GLU N . 52440 1
178 . 1 . 1 26 26 PHE H H 1 8.611813382 0 . 1 . . . . . 26 PHE H . 52440 1
179 . 1 . 1 26 26 PHE HA H 1 4.479897343 0 . 1 . . . . . 26 PHE HA . 52440 1
180 . 1 . 1 26 26 PHE HB2 H 1 3.088061566 0 . 2 . . . . . 26 PHE HB2 . 52440 1
181 . 1 . 1 26 26 PHE HB3 H 1 2.772209443 0 . 2 . . . . . 26 PHE HB3 . 52440 1
182 . 1 . 1 26 26 PHE C C 13 176.9177997 0 . 1 . . . . . 26 PHE C . 52440 1
183 . 1 . 1 26 26 PHE CA C 13 57.22609459 0 . 1 . . . . . 26 PHE CA . 52440 1
184 . 1 . 1 26 26 PHE CB C 13 37.20473592 0 . 1 . . . . . 26 PHE CB . 52440 1
185 . 1 . 1 26 26 PHE N N 15 119.8230282 0 . 1 . . . . . 26 PHE N . 52440 1
186 . 1 . 1 27 27 TYR H H 1 9.285136503 0 . 1 . . . . . 27 TYR H . 52440 1
187 . 1 . 1 27 27 TYR HA H 1 3.543266952 0 . 1 . . . . . 27 TYR HA . 52440 1
188 . 1 . 1 27 27 TYR HB2 H 1 2.579050912 0 . 1 . . . . . 27 TYR HB2 . 52440 1
189 . 1 . 1 27 27 TYR C C 13 179.3588189 0 . 1 . . . . . 27 TYR C . 52440 1
190 . 1 . 1 27 27 TYR CA C 13 62.23190722 0 . 1 . . . . . 27 TYR CA . 52440 1
191 . 1 . 1 27 27 TYR CB C 13 38.20582277 0 . 1 . . . . . 27 TYR CB . 52440 1
192 . 1 . 1 27 27 TYR N N 15 120.9738339 0 . 1 . . . . . 27 TYR N . 52440 1
193 . 1 . 1 28 28 GLU H H 1 8.886918012 0 . 1 . . . . . 28 GLU H . 52440 1
194 . 1 . 1 28 28 GLU HA H 1 3.828345403 0 . 1 . . . . . 28 GLU HA . 52440 1
195 . 1 . 1 28 28 GLU HB2 H 1 2.260252496 0 . 2 . . . . . 28 GLU HB2 . 52440 1
196 . 1 . 1 28 28 GLU HB3 H 1 1.563012079 0 . 2 . . . . . 28 GLU HB3 . 52440 1
197 . 1 . 1 28 28 GLU C C 13 179.0027384 0 . 1 . . . . . 28 GLU C . 52440 1
198 . 1 . 1 28 28 GLU CA C 13 59.72919009 0 . 1 . . . . . 28 GLU CA . 52440 1
199 . 1 . 1 28 28 GLU CB C 13 28.93302849 0 . 1 . . . . . 28 GLU CB . 52440 1
200 . 1 . 1 28 28 GLU N N 15 121.7453409 0 . 1 . . . . . 28 GLU N . 52440 1
201 . 1 . 1 29 29 LYS H H 1 7.813325161 0 . 1 . . . . . 29 LYS H . 52440 1
202 . 1 . 1 29 29 LYS HA H 1 4.136096282 0 . 1 . . . . . 29 LYS HA . 52440 1
203 . 1 . 1 29 29 LYS HB2 H 1 2.125764586 0 . 2 . . . . . 29 LYS HB# . 52440 1
204 . 1 . 1 29 29 LYS HB3 H 1 2.125764586 0 . 2 . . . . . 29 LYS HB# . 52440 1
205 . 1 . 1 29 29 LYS C C 13 179.4485018 0 . 1 . . . . . 29 LYS C . 52440 1
206 . 1 . 1 29 29 LYS CA C 13 59.22864666 0 . 1 . . . . . 29 LYS CA . 52440 1
207 . 1 . 1 29 29 LYS CB C 13 32.34633189 0 . 1 . . . . . 29 LYS CB . 52440 1
208 . 1 . 1 29 29 LYS N N 15 119.5000448 0 . 1 . . . . . 29 LYS N . 52440 1
209 . 1 . 1 30 30 VAL H H 1 8.186802037 0 . 1 . . . . . 30 VAL H . 52440 1
210 . 1 . 1 30 30 VAL HA H 1 4.13708897 0 . 1 . . . . . 30 VAL HA . 52440 1
211 . 1 . 1 30 30 VAL HB H 1 2.113482445 0 . 1 . . . . . 30 VAL HB . 52440 1
212 . 1 . 1 30 30 VAL C C 13 176.7261735 0 . 1 . . . . . 30 VAL C . 52440 1
213 . 1 . 1 30 30 VAL CA C 13 63.6360961 0 . 1 . . . . . 30 VAL CA . 52440 1
214 . 1 . 1 30 30 VAL CB C 13 31.69875823 0 . 1 . . . . . 30 VAL CB . 52440 1
215 . 1 . 1 30 30 VAL N N 15 112.0708511 0 . 1 . . . . . 30 VAL N . 52440 1
216 . 1 . 1 31 31 THR H H 1 7.520499565 0 . 1 . . . . . 31 THR H . 52440 1
217 . 1 . 1 31 31 THR HA H 1 4.17018675 0 . 1 . . . . . 31 THR HA . 52440 1
218 . 1 . 1 31 31 THR HB H 1 3.744809459 0 . 1 . . . . . 31 THR HB . 52440 1
219 . 1 . 1 31 31 THR C C 13 175.8028231 0 . 1 . . . . . 31 THR C . 52440 1
220 . 1 . 1 31 31 THR CA C 13 63.14878246 0 . 1 . . . . . 31 THR CA . 52440 1
221 . 1 . 1 31 31 THR CB C 13 69.23951518 0 . 1 . . . . . 31 THR CB . 52440 1
222 . 1 . 1 31 31 THR N N 15 109.1529075 0 . 1 . . . . . 31 THR N . 52440 1
223 . 1 . 1 32 32 GLY H H 1 7.626656381 0 . 1 . . . . . 32 GLY H . 52440 1
224 . 1 . 1 32 32 GLY HA2 H 1 3.892823332 0 . 2 . . . . . 32 GLY HA# . 52440 1
225 . 1 . 1 32 32 GLY HA3 H 1 3.892823332 0 . 2 . . . . . 32 GLY HA# . 52440 1
226 . 1 . 1 32 32 GLY C C 13 174.8986243 0 . 1 . . . . . 32 GLY C . 52440 1
227 . 1 . 1 32 32 GLY CA C 13 47.71614786 0 . 1 . . . . . 32 GLY CA . 52440 1
228 . 1 . 1 32 32 GLY N N 15 109.4751817 0 . 1 . . . . . 32 GLY N . 52440 1
229 . 1 . 1 33 33 THR H H 1 8.456589405 0 . 1 . . . . . 33 THR H . 52440 1
230 . 1 . 1 33 33 THR HA H 1 4.669905964 0 . 1 . . . . . 33 THR HA . 52440 1
231 . 1 . 1 33 33 THR HB H 1 4.356574993 0 . 1 . . . . . 33 THR HB . 52440 1
232 . 1 . 1 33 33 THR C C 13 173.9127542 0 . 1 . . . . . 33 THR C . 52440 1
233 . 1 . 1 33 33 THR CA C 13 60.73027694 0 . 1 . . . . . 33 THR CA . 52440 1
234 . 1 . 1 33 33 THR CB C 13 68.23842833 0 . 1 . . . . . 33 THR CB . 52440 1
235 . 1 . 1 33 33 THR N N 15 115.3925395 0 . 1 . . . . . 33 THR N . 52440 1
236 . 1 . 1 34 34 ASP H H 1 8.254216462 0 . 1 . . . . . 34 ASP H . 52440 1
237 . 1 . 1 34 34 ASP HA H 1 4.725773002 0 . 1 . . . . . 34 ASP HA . 52440 1
238 . 1 . 1 34 34 ASP HB2 H 1 3.296432912 0 . 2 . . . . . 34 ASP HB2 . 52440 1
239 . 1 . 1 34 34 ASP HB3 H 1 2.535102546 0 . 2 . . . . . 34 ASP HB3 . 52440 1
240 . 1 . 1 34 34 ASP C C 13 174.7896644 0 . 1 . . . . . 34 ASP C . 52440 1
241 . 1 . 1 34 34 ASP CA C 13 53.14592981 0 . 1 . . . . . 34 ASP CA . 52440 1
242 . 1 . 1 34 34 ASP CB C 13 40.13887609 0 . 1 . . . . . 34 ASP CB . 52440 1
243 . 1 . 1 34 34 ASP N N 15 123.1127855 0 . 1 . . . . . 34 ASP N . 52440 1
244 . 1 . 1 35 35 LEU H H 1 8.067107058 0 . 1 . . . . . 35 LEU H . 52440 1
245 . 1 . 1 35 35 LEU HA H 1 4.017627646 0 . 1 . . . . . 35 LEU HA . 52440 1
246 . 1 . 1 35 35 LEU HB2 H 1 1.865305044 0 . 2 . . . . . 35 LEU HB2 . 52440 1
247 . 1 . 1 35 35 LEU HB3 H 1 1.630274184 0 . 2 . . . . . 35 LEU HB3 . 52440 1
248 . 1 . 1 35 35 LEU C C 13 179.8029926 0 . 1 . . . . . 35 LEU C . 52440 1
249 . 1 . 1 35 35 LEU CA C 13 57.72700328 0 . 1 . . . . . 35 LEU CA . 52440 1
250 . 1 . 1 35 35 LEU CB C 13 41.20908333 0 . 1 . . . . . 35 LEU CB . 52440 1
251 . 1 . 1 35 35 LEU N N 15 125.1770119 0 . 1 . . . . . 35 LEU N . 52440 1
252 . 1 . 1 36 36 GLU H H 1 8.385296916 0 . 1 . . . . . 36 GLU H . 52440 1
253 . 1 . 1 36 36 GLU HA H 1 4.151047614 0 . 1 . . . . . 36 GLU HA . 52440 1
254 . 1 . 1 36 36 GLU HB2 H 1 2.112424378 0 . 2 . . . . . 36 GLU HB# . 52440 1
255 . 1 . 1 36 36 GLU HB3 H 1 2.112424378 0 . 2 . . . . . 36 GLU HB# . 52440 1
256 . 1 . 1 36 36 GLU HG2 H 1 2.704194734 0 . 2 . . . . . 36 GLU HG# . 52440 1
257 . 1 . 1 36 36 GLU HG3 H 1 2.704194734 0 . 2 . . . . . 36 GLU HG# . 52440 1
258 . 1 . 1 36 36 GLU C C 13 177.8700752 0 . 1 . . . . . 36 GLU C . 52440 1
259 . 1 . 1 36 36 GLU CA C 13 59.52602627 0 . 1 . . . . . 36 GLU CA . 52440 1
260 . 1 . 1 36 36 GLU CB C 13 29.43716919 0 . 1 . . . . . 36 GLU CB . 52440 1
261 . 1 . 1 36 36 GLU N N 15 120.3934346 0 . 1 . . . . . 36 GLU N . 52440 1
262 . 1 . 1 37 37 LEU H H 1 7.724515556 0 . 1 . . . . . 37 LEU H . 52440 1
263 . 1 . 1 37 37 LEU HA H 1 3.981522503 0 . 1 . . . . . 37 LEU HA . 52440 1
264 . 1 . 1 37 37 LEU HB2 H 1 1.64662337 0 . 2 . . . . . 37 LEU HB# . 52440 1
265 . 1 . 1 37 37 LEU HB3 H 1 1.64662337 0 . 2 . . . . . 37 LEU HB# . 52440 1
266 . 1 . 1 37 37 LEU C C 13 178.549199 0 . 1 . . . . . 37 LEU C . 52440 1
267 . 1 . 1 37 37 LEU CA C 13 57.72700546 0 . 1 . . . . . 37 LEU CA . 52440 1
268 . 1 . 1 37 37 LEU CB C 13 41.70962675 0 . 1 . . . . . 37 LEU CB . 52440 1
269 . 1 . 1 37 37 LEU N N 15 120.6719423 0 . 1 . . . . . 37 LEU N . 52440 1
270 . 1 . 1 38 38 ILE H H 1 7.965459476 0 . 1 . . . . . 38 ILE H . 52440 1
271 . 1 . 1 38 38 ILE HA H 1 3.427408109 0 . 1 . . . . . 38 ILE HA . 52440 1
272 . 1 . 1 38 38 ILE HB H 1 1.948132126 0 . 1 . . . . . 38 ILE HB . 52440 1
273 . 1 . 1 38 38 ILE C C 13 178.8193075 0 . 1 . . . . . 38 ILE C . 52440 1
274 . 1 . 1 38 38 ILE CA C 13 66.23625463 0 . 1 . . . . . 38 ILE CA . 52440 1
275 . 1 . 1 38 38 ILE CB C 13 38.6645972 0 . 1 . . . . . 38 ILE CB . 52440 1
276 . 1 . 1 38 38 ILE N N 15 118.4320777 0 . 1 . . . . . 38 ILE N . 52440 1
277 . 1 . 1 39 39 GLN H H 1 8.042566663 0 . 1 . . . . . 39 GLN H . 52440 1
278 . 1 . 1 39 39 GLN C C 13 177.5392396 0 . 1 . . . . . 39 GLN C . 52440 1
279 . 1 . 1 39 39 GLN CA C 13 59.22864666 0 . 1 . . . . . 39 GLN CA . 52440 1
280 . 1 . 1 39 39 GLN CB C 13 27.69441082 0 . 1 . . . . . 39 GLN CB . 52440 1
281 . 1 . 1 39 39 GLN N N 15 120.6428144 0 . 1 . . . . . 39 GLN N . 52440 1
282 . 1 . 1 40 40 ILE HA H 1 3.783876747 0 . 1 . . . . . 40 ILE HA . 52440 1
283 . 1 . 1 40 40 ILE HB H 1 1.778112299 0 . 1 . . . . . 40 ILE HB . 52440 1
284 . 1 . 1 40 40 ILE C C 13 179.3541554 0 . 1 . . . . . 40 ILE C . 52440 1
285 . 1 . 1 40 40 ILE CA C 13 65.37943744 0 . 1 . . . . . 40 ILE CA . 52440 1
286 . 1 . 1 40 40 ILE CB C 13 38.7063662 0 . 1 . . . . . 40 ILE CB . 52440 1
287 . 1 . 1 41 41 LEU H H 1 8.745498377 0 . 1 . . . . . 41 LEU H . 52440 1
288 . 1 . 1 41 41 LEU HA H 1 4.196329331 0 . 1 . . . . . 41 LEU HA . 52440 1
289 . 1 . 1 41 41 LEU HB2 H 1 1.60530054 0 . 2 . . . . . 41 LEU HB . 52440 1
290 . 1 . 1 41 41 LEU HB3 H 1 1.60530054 0 . 2 . . . . . 41 LEU HB . 52440 1
291 . 1 . 1 41 41 LEU C C 13 179.1046718 0 . 1 . . . . . 41 LEU C . 52440 1
292 . 1 . 1 41 41 LEU CA C 13 58.72810324 0 . 1 . . . . . 41 LEU CA . 52440 1
293 . 1 . 1 41 41 LEU CB C 13 41.70962675 0 . 1 . . . . . 41 LEU CB . 52440 1
294 . 1 . 1 41 41 LEU N N 15 119.2913605 0 . 1 . . . . . 41 LEU N . 52440 1
295 . 1 . 1 42 42 LYS H H 1 7.839645295 0 . 1 . . . . . 42 LYS H . 52440 1
296 . 1 . 1 42 42 LYS HA H 1 4.13800313 0 . 1 . . . . . 42 LYS HA . 52440 1
297 . 1 . 1 42 42 LYS HB2 H 1 2.026583142 0 . 2 . . . . . 42 LYS HB# . 52440 1
298 . 1 . 1 42 42 LYS HB3 H 1 2.026583142 0 . 2 . . . . . 42 LYS HB# . 52440 1
299 . 1 . 1 42 42 LYS C C 13 178.6083152 0 . 1 . . . . . 42 LYS C . 52440 1
300 . 1 . 1 42 42 LYS CA C 13 60.21412188 0 . 1 . . . . . 42 LYS CA . 52440 1
301 . 1 . 1 42 42 LYS CB C 13 33.20038851 0 . 1 . . . . . 42 LYS CB . 52440 1
302 . 1 . 1 42 42 LYS N N 15 118.9705117 0 . 1 . . . . . 42 LYS N . 52440 1
303 . 1 . 1 43 43 ASP H H 1 9.150065339 0 . 1 . . . . . 43 ASP H . 52440 1
304 . 1 . 1 43 43 ASP HA H 1 4.442903681 0 . 1 . . . . . 43 ASP HA . 52440 1
305 . 1 . 1 43 43 ASP HB2 H 1 2.680006904 0 . 2 . . . . . 43 ASP HB2 . 52440 1
306 . 1 . 1 43 43 ASP HB3 H 1 2.372971774 0 . 2 . . . . . 43 ASP HB3 . 52440 1
307 . 1 . 1 43 43 ASP C C 13 177.8149083 0 . 1 . . . . . 43 ASP C . 52440 1
308 . 1 . 1 43 43 ASP CA C 13 57.22607883 0 . 1 . . . . . 43 ASP CA . 52440 1
309 . 1 . 1 43 43 ASP CB C 13 40.20799647 0 . 1 . . . . . 43 ASP CB . 52440 1
310 . 1 . 1 43 43 ASP N N 15 118.9891391 0 . 1 . . . . . 43 ASP N . 52440 1
311 . 1 . 1 44 44 HIS H H 1 8.700062949 0 . 1 . . . . . 44 HIS H . 52440 1
312 . 1 . 1 44 44 HIS HA H 1 4.583328928 0 . 1 . . . . . 44 HIS HA . 52440 1
313 . 1 . 1 44 44 HIS HB2 H 1 2.373673366 0 . 2 . . . . . 44 HIS HB# . 52440 1
314 . 1 . 1 44 44 HIS HB3 H 1 2.373673366 0 . 2 . . . . . 44 HIS HB# . 52440 1
315 . 1 . 1 44 44 HIS C C 13 175.9544786 0 . 1 . . . . . 44 HIS C . 52440 1
316 . 1 . 1 44 44 HIS CA C 13 57.22647296 0 . 1 . . . . . 44 HIS CA . 52440 1
317 . 1 . 1 44 44 HIS CB C 13 31.4059066 0 . 1 . . . . . 44 HIS CB . 52440 1
318 . 1 . 1 44 44 HIS N N 15 115.0875818 0 . 1 . . . . . 44 HIS N . 52440 1
319 . 1 . 1 45 45 TYR H H 1 6.874933168 0 . 1 . . . . . 45 TYR H . 52440 1
320 . 1 . 1 45 45 TYR HA H 1 4.749678356 0 . 1 . . . . . 45 TYR HA . 52440 1
321 . 1 . 1 45 45 TYR HB2 H 1 3.432271151 0 . 2 . . . . . 45 TYR HB2 . 52440 1
322 . 1 . 1 45 45 TYR HB3 H 1 3.19786742 0 . 2 . . . . . 45 TYR HB3 . 52440 1
323 . 1 . 1 45 45 TYR C C 13 174.3897622 0 . 1 . . . . . 45 TYR C . 52440 1
324 . 1 . 1 45 45 TYR CA C 13 58.22755981 0 . 1 . . . . . 45 TYR CA . 52440 1
325 . 1 . 1 45 45 TYR CB C 13 40.20799647 0 . 1 . . . . . 45 TYR CB . 52440 1
326 . 1 . 1 45 45 TYR N N 15 113.6363874 0 . 1 . . . . . 45 TYR N . 52440 1
327 . 1 . 1 46 46 ASN H H 1 7.618572589 0 . 1 . . . . . 46 ASN H . 52440 1
328 . 1 . 1 46 46 ASN HA H 1 4.536601614 0 . 1 . . . . . 46 ASN HA . 52440 1
329 . 1 . 1 46 46 ASN HB2 H 1 3.317991843 0 . 2 . . . . . 46 ASN HB2 . 52440 1
330 . 1 . 1 46 46 ASN HB3 H 1 2.623445826 0 . 2 . . . . . 46 ASN HB3 . 52440 1
331 . 1 . 1 46 46 ASN C C 13 173.5977453 0 . 1 . . . . . 46 ASN C . 52440 1
332 . 1 . 1 46 46 ASN CA C 13 53.980124 0 . 1 . . . . . 46 ASN CA . 52440 1
333 . 1 . 1 46 46 ASN CB C 13 37.70527934 0 . 1 . . . . . 46 ASN CB . 52440 1
334 . 1 . 1 46 46 ASN N N 15 118.228816 0 . 1 . . . . . 46 ASN N . 52440 1
335 . 1 . 1 47 47 ILE H H 1 8.342210305 0 . 1 . . . . . 47 ILE H . 52440 1
336 . 1 . 1 47 47 ILE HA H 1 4.645061307 0 . 1 . . . . . 47 ILE HA . 52440 1
337 . 1 . 1 47 47 ILE HB H 1 1.540370215 0 . 1 . . . . . 47 ILE HB . 52440 1
338 . 1 . 1 47 47 ILE C C 13 174.660207 0 . 1 . . . . . 47 ILE C . 52440 1
339 . 1 . 1 47 47 ILE CA C 13 60.73027694 0 . 1 . . . . . 47 ILE CA . 52440 1
340 . 1 . 1 47 47 ILE CB C 13 40.20799647 0 . 1 . . . . . 47 ILE CB . 52440 1
341 . 1 . 1 47 47 ILE N N 15 118.4164613 0 . 1 . . . . . 47 ILE N . 52440 1
342 . 1 . 1 48 48 SER H H 1 7.82384199 0 . 1 . . . . . 48 SER H . 52440 1
343 . 1 . 1 48 48 SER HA H 1 4.173821794 0 . 1 . . . . . 48 SER HA . 52440 1
344 . 1 . 1 48 48 SER HB2 H 1 3.968625175 0 . 2 . . . . . 48 SER HB# . 52440 1
345 . 1 . 1 48 48 SER HB3 H 1 3.968625175 0 . 2 . . . . . 48 SER HB# . 52440 1
346 . 1 . 1 48 48 SER C C 13 173.7682852 0 . 1 . . . . . 48 SER C . 52440 1
347 . 1 . 1 48 48 SER CA C 13 57.04492179 0 . 1 . . . . . 48 SER CA . 52440 1
348 . 1 . 1 48 48 SER CB C 13 64.39528498 0 . 1 . . . . . 48 SER CB . 52440 1
349 . 1 . 1 48 48 SER N N 15 119.4892397 0 . 1 . . . . . 48 SER N . 52440 1
350 . 1 . 1 49 49 LEU H H 1 8.811364733 0 . 1 . . . . . 49 LEU H . 52440 1
351 . 1 . 1 49 49 LEU HA H 1 3.777426849 0 . 1 . . . . . 49 LEU HA . 52440 1
352 . 1 . 1 49 49 LEU HB2 H 1 1.739246933 0 . 2 . . . . . 49 LEU HB2 . 52440 1
353 . 1 . 1 49 49 LEU HB3 H 1 1.387896383 0 . 2 . . . . . 49 LEU HB3 . 52440 1
354 . 1 . 1 49 49 LEU C C 13 177.1644094 0 . 1 . . . . . 49 LEU C . 52440 1
355 . 1 . 1 49 49 LEU CA C 13 58.44807218 0 . 1 . . . . . 49 LEU CA . 52440 1
356 . 1 . 1 49 49 LEU CB C 13 40.7085399 0 . 1 . . . . . 49 LEU CB . 52440 1
357 . 1 . 1 49 49 LEU N N 15 119.201869 0 . 1 . . . . . 49 LEU N . 52440 1
358 . 1 . 1 50 50 ASP H H 1 7.743419159 0 . 1 . . . . . 50 ASP H . 52440 1
359 . 1 . 1 50 50 ASP HA H 1 4.544845975 0 . 1 . . . . . 50 ASP HA . 52440 1
360 . 1 . 1 50 50 ASP HB2 H 1 2.70160924 0 . 2 . . . . . 50 ASP HB2 . 52440 1
361 . 1 . 1 50 50 ASP HB3 H 1 2.434179851 0 . 2 . . . . . 50 ASP HB3 . 52440 1
362 . 1 . 1 50 50 ASP C C 13 173.77331 0 . 1 . . . . . 50 ASP C . 52440 1
363 . 1 . 1 50 50 ASP CA C 13 53.22212555 0 . 1 . . . . . 50 ASP CA . 52440 1
364 . 1 . 1 50 50 ASP CB C 13 41.20908333 0 . 1 . . . . . 50 ASP CB . 52440 1
365 . 1 . 1 50 50 ASP N N 15 113.9400203 0 . 1 . . . . . 50 ASP N . 52440 1
366 . 1 . 1 51 51 ASN H H 1 6.812361488 0 . 1 . . . . . 51 ASN H . 52440 1
367 . 1 . 1 51 51 ASN HA H 1 4.448690936 0 . 1 . . . . . 51 ASN HA . 52440 1
368 . 1 . 1 51 51 ASN HB2 H 1 2.823360428 0 . 2 . . . . . 51 ASN HB . 52440 1
369 . 1 . 1 51 51 ASN HB3 H 1 2.823360428 0 . 2 . . . . . 51 ASN HB . 52440 1
370 . 1 . 1 51 51 ASN C C 13 170.3199885 0 . 1 . . . . . 51 ASN C . 52440 1
371 . 1 . 1 51 51 ASN CA C 13 51.72049527 0 . 1 . . . . . 51 ASN CA . 52440 1
372 . 1 . 1 51 51 ASN CB C 13 39.70745305 0 . 1 . . . . . 51 ASN CB . 52440 1
373 . 1 . 1 51 51 ASN N N 15 116.7530321 0 . 1 . . . . . 51 ASN N . 52440 1
374 . 1 . 1 53 53 LEU HA H 1 4.526155229 0 . 1 . . . . . 53 LEU HA . 52440 1
375 . 1 . 1 53 53 LEU HB2 H 1 1.596108592 0 . 2 . . . . . 53 LEU HB# . 52440 1
376 . 1 . 1 53 53 LEU HB3 H 1 1.596108592 0 . 2 . . . . . 53 LEU HB# . 52440 1
377 . 1 . 1 53 53 LEU C C 13 175.4343129 0 . 1 . . . . . 53 LEU C . 52440 1
378 . 1 . 1 53 53 LEU CA C 13 53.72266898 0 . 1 . . . . . 53 LEU CA . 52440 1
379 . 1 . 1 53 53 LEU CB C 13 44.99749833 0 . 1 . . . . . 53 LEU CB . 52440 1
380 . 1 . 1 54 54 GLU H H 1 8.517055525 0 . 1 . . . . . 54 GLU H . 52440 1
381 . 1 . 1 54 54 GLU HA H 1 3.776724941 0 . 1 . . . . . 54 GLU HA . 52440 1
382 . 1 . 1 54 54 GLU HB2 H 1 1.727902085 0 . 2 . . . . . 54 GLU HB# . 52440 1
383 . 1 . 1 54 54 GLU HB3 H 1 1.727902085 0 . 2 . . . . . 54 GLU HB# . 52440 1
384 . 1 . 1 54 54 GLU C C 13 175.4886611 0 . 1 . . . . . 54 GLU C . 52440 1
385 . 1 . 1 54 54 GLU CA C 13 57.74453509 0 . 1 . . . . . 54 GLU CA . 52440 1
386 . 1 . 1 54 54 GLU CB C 13 29.69658453 0 . 1 . . . . . 54 GLU CB . 52440 1
387 . 1 . 1 54 54 GLU N N 15 118.723903 0 . 1 . . . . . 54 GLU N . 52440 1
388 . 1 . 1 55 55 ASN H H 1 7.874685047 0 . 1 . . . . . 55 ASN H . 52440 1
389 . 1 . 1 55 55 ASN HA H 1 5.273594837 0 . 1 . . . . . 55 ASN HA . 52440 1
390 . 1 . 1 55 55 ASN HB2 H 1 3.039596227 0 . 2 . . . . . 55 ASN HB2 . 52440 1
391 . 1 . 1 55 55 ASN HB3 H 1 2.727230392 0 . 2 . . . . . 55 ASN HB3 . 52440 1
392 . 1 . 1 55 55 ASN C C 13 173.8800489 0 . 1 . . . . . 55 ASN C . 52440 1
393 . 1 . 1 55 55 ASN CA C 13 49.71832157 0 . 1 . . . . . 55 ASN CA . 52440 1
394 . 1 . 1 55 55 ASN CB C 13 37.73257878 0 . 1 . . . . . 55 ASN CB . 52440 1
395 . 1 . 1 55 55 ASN N N 15 113.7458199 0 . 1 . . . . . 55 ASN N . 52440 1
396 . 1 . 1 56 56 PRO HA H 1 4.291751498 0 . 1 . . . . . 56 PRO HA . 52440 1
397 . 1 . 1 56 56 PRO HB2 H 1 2.305028188 0 . 2 . . . . . 56 PRO HB# . 52440 1
398 . 1 . 1 56 56 PRO HB3 H 1 2.305028188 0 . 2 . . . . . 56 PRO HB# . 52440 1
399 . 1 . 1 56 56 PRO CA C 13 66.23625463 0 . 1 . . . . . 56 PRO CA . 52440 1
400 . 1 . 1 56 56 PRO CB C 13 33.01662588 0 . 1 . . . . . 56 PRO CB . 52440 1
401 . 1 . 1 57 57 SER H H 1 8.63387175 0 . 1 . . . . . 57 SER H . 52440 1
402 . 1 . 1 57 57 SER HA H 1 4.24984796 0 . 1 . . . . . 57 SER HA . 52440 1
403 . 1 . 1 57 57 SER HB2 H 1 4.174558831 0 . 2 . . . . . 57 SER HB# . 52440 1
404 . 1 . 1 57 57 SER HB3 H 1 4.174558831 0 . 2 . . . . . 57 SER HB# . 52440 1
405 . 1 . 1 57 57 SER CA C 13 61.73136379 0 . 1 . . . . . 57 SER CA . 52440 1
406 . 1 . 1 57 57 SER CB C 13 62.73245065 0 . 1 . . . . . 57 SER CB . 52440 1
407 . 1 . 1 57 57 SER N N 15 111.6035124 0 . 1 . . . . . 57 SER N . 52440 1
408 . 1 . 1 58 58 SER H H 1 7.926140407 0 . 1 . . . . . 58 SER H . 52440 1
409 . 1 . 1 58 58 SER HA H 1 4.482087054 0 . 1 . . . . . 58 SER HA . 52440 1
410 . 1 . 1 58 58 SER HB2 H 1 4.174549632 0 . 2 . . . . . 58 SER HB# . 52440 1
411 . 1 . 1 58 58 SER HB3 H 1 4.174549632 0 . 2 . . . . . 58 SER HB# . 52440 1
412 . 1 . 1 58 58 SER C C 13 175.6280054 0 . 1 . . . . . 58 SER C . 52440 1
413 . 1 . 1 58 58 SER CA C 13 60.73027694 0 . 1 . . . . . 58 SER CA . 52440 1
414 . 1 . 1 58 58 SER CB C 13 63.7335375 0 . 1 . . . . . 58 SER CB . 52440 1
415 . 1 . 1 58 58 SER N N 15 118.1777482 0 . 1 . . . . . 58 SER N . 52440 1
416 . 1 . 1 59 59 LEU H H 1 8.057149887 0 . 1 . . . . . 59 LEU H . 52440 1
417 . 1 . 1 59 59 LEU HA H 1 3.884863384 0 . 1 . . . . . 59 LEU HA . 52440 1
418 . 1 . 1 59 59 LEU HB2 H 1 1.664145062 0 . 2 . . . . . 59 LEU HB2 . 52440 1
419 . 1 . 1 59 59 LEU HB3 H 1 1.431511161 0 . 2 . . . . . 59 LEU HB3 . 52440 1
420 . 1 . 1 59 59 LEU C C 13 177.6602774 0 . 1 . . . . . 59 LEU C . 52440 1
421 . 1 . 1 59 59 LEU CA C 13 57.22623648 0 . 1 . . . . . 59 LEU CA . 52440 1
422 . 1 . 1 59 59 LEU CB C 13 42.7107136 0 . 1 . . . . . 59 LEU CB . 52440 1
423 . 1 . 1 59 59 LEU N N 15 122.2512498 0 . 1 . . . . . 59 LEU N . 52440 1
424 . 1 . 1 60 60 PHE H H 1 7.05042915 0 . 1 . . . . . 60 PHE H . 52440 1
425 . 1 . 1 60 60 PHE HA H 1 4.037855163 0 . 1 . . . . . 60 PHE HA . 52440 1
426 . 1 . 1 60 60 PHE HB2 H 1 3.255509434 0 . 2 . . . . . 60 PHE HB2 . 52440 1
427 . 1 . 1 60 60 PHE HB3 H 1 2.994206759 0 . 2 . . . . . 60 PHE HB3 . 52440 1
428 . 1 . 1 60 60 PHE C C 13 178.4773655 0 . 1 . . . . . 60 PHE C . 52440 1
429 . 1 . 1 60 60 PHE CA C 13 61.73136379 0 . 1 . . . . . 60 PHE CA . 52440 1
430 . 1 . 1 60 60 PHE CB C 13 37.63063528 0 . 1 . . . . . 60 PHE CB . 52440 1
431 . 1 . 1 60 60 PHE N N 15 114.6141997 0 . 1 . . . . . 60 PHE N . 52440 1
432 . 1 . 1 61 61 ASP H H 1 8.112069728 0 . 1 . . . . . 61 ASP H . 52440 1
433 . 1 . 1 61 61 ASP HA H 1 4.509850572 0 . 1 . . . . . 61 ASP HA . 52440 1
434 . 1 . 1 61 61 ASP HB2 H 1 2.804657724 0 . 2 . . . . . 61 ASP HB# . 52440 1
435 . 1 . 1 61 61 ASP HB3 H 1 2.804657724 0 . 2 . . . . . 61 ASP HB# . 52440 1
436 . 1 . 1 61 61 ASP C C 13 178.1108931 0 . 1 . . . . . 61 ASP C . 52440 1
437 . 1 . 1 61 61 ASP CA C 13 56.72592953 0 . 1 . . . . . 61 ASP CA . 52440 1
438 . 1 . 1 61 61 ASP CB C 13 40.99257661 0 . 1 . . . . . 61 ASP CB . 52440 1
439 . 1 . 1 61 61 ASP N N 15 119.9179817 0 . 1 . . . . . 61 ASP N . 52440 1
440 . 1 . 1 62 62 LEU H H 1 7.52368298 0 . 1 . . . . . 62 LEU H . 52440 1
441 . 1 . 1 62 62 LEU HA H 1 4.029050102 0 . 1 . . . . . 62 LEU HA . 52440 1
442 . 1 . 1 62 62 LEU HB2 H 1 1.584564736 0 . 2 . . . . . 62 LEU HB# . 52440 1
443 . 1 . 1 62 62 LEU HB3 H 1 1.584564736 0 . 2 . . . . . 62 LEU HB# . 52440 1
444 . 1 . 1 62 62 LEU C C 13 178.3878895 0 . 1 . . . . . 62 LEU C . 52440 1
445 . 1 . 1 62 62 LEU CA C 13 58.14902319 0 . 1 . . . . . 62 LEU CA . 52440 1
446 . 1 . 1 62 62 LEU CB C 13 41.46696329 0 . 1 . . . . . 62 LEU CB . 52440 1
447 . 1 . 1 62 62 LEU N N 15 120.7524408 0 . 1 . . . . . 62 LEU N . 52440 1
448 . 1 . 1 63 63 VAL H H 1 8.354134197 0 . 1 . . . . . 63 VAL H . 52440 1
449 . 1 . 1 63 63 VAL HA H 1 3.514203039 0 . 1 . . . . . 63 VAL HA . 52440 1
450 . 1 . 1 63 63 VAL HB H 1 2.107012896 0 . 1 . . . . . 63 VAL HB . 52440 1
451 . 1 . 1 63 63 VAL C C 13 176.8874677 0 . 1 . . . . . 63 VAL C . 52440 1
452 . 1 . 1 63 63 VAL CA C 13 67.14778885 0 . 1 . . . . . 63 VAL CA . 52440 1
453 . 1 . 1 63 63 VAL CB C 13 30.94642359 0 . 1 . . . . . 63 VAL CB . 52440 1
454 . 1 . 1 63 63 VAL N N 15 117.2005082 0 . 1 . . . . . 63 VAL N . 52440 1
455 . 1 . 1 64 64 ALA H H 1 7.665788319 0 . 1 . . . . . 64 ALA H . 52440 1
456 . 1 . 1 64 64 ALA HA H 1 4.132622436 0 . 1 . . . . . 64 ALA HA . 52440 1
457 . 1 . 1 64 64 ALA HB1 H 1 1.538923058 0 . 1 . . . . . 64 ALA HB# . 52440 1
458 . 1 . 1 64 64 ALA HB2 H 1 1.538923058 0 . 1 . . . . . 64 ALA HB# . 52440 1
459 . 1 . 1 64 64 ALA HB3 H 1 1.538923058 0 . 1 . . . . . 64 ALA HB# . 52440 1
460 . 1 . 1 64 64 ALA C C 13 180.4966341 0 . 1 . . . . . 64 ALA C . 52440 1
461 . 1 . 1 64 64 ALA CA C 13 55.22429925 0 . 1 . . . . . 64 ALA CA . 52440 1
462 . 1 . 1 64 64 ALA CB C 13 17.6835423 0 . 1 . . . . . 64 ALA CB . 52440 1
463 . 1 . 1 64 64 ALA N N 15 121.6609791 0 . 1 . . . . . 64 ALA N . 52440 1
464 . 1 . 1 65 65 ARG H H 1 7.762540832 0 . 1 . . . . . 65 ARG H . 52440 1
465 . 1 . 1 65 65 ARG HA H 1 4.11624153 0 . 1 . . . . . 65 ARG HA . 52440 1
466 . 1 . 1 65 65 ARG HB2 H 1 2.080652064 0 . 2 . . . . . 65 ARG HB# . 52440 1
467 . 1 . 1 65 65 ARG HB3 H 1 2.080652064 0 . 2 . . . . . 65 ARG HB# . 52440 1
468 . 1 . 1 65 65 ARG C C 13 178.8567714 0 . 1 . . . . . 65 ARG C . 52440 1
469 . 1 . 1 65 65 ARG CA C 13 59.22864666 0 . 1 . . . . . 65 ARG CA . 52440 1
470 . 1 . 1 65 65 ARG CB C 13 29.69658453 0 . 1 . . . . . 65 ARG CB . 52440 1
471 . 1 . 1 65 65 ARG N N 15 119.4551065 0 . 1 . . . . . 65 ARG N . 52440 1
472 . 1 . 1 66 66 ILE H H 1 8.480750103 0 . 1 . . . . . 66 ILE H . 52440 1
473 . 1 . 1 66 66 ILE HA H 1 3.967775547 0 . 1 . . . . . 66 ILE HA . 52440 1
474 . 1 . 1 66 66 ILE HB H 1 1.850610715 0 . 1 . . . . . 66 ILE HB . 52440 1
475 . 1 . 1 66 66 ILE C C 13 178.4583561 0 . 1 . . . . . 66 ILE C . 52440 1
476 . 1 . 1 66 66 ILE CA C 13 65.7357112 0 . 1 . . . . . 66 ILE CA . 52440 1
477 . 1 . 1 66 66 ILE CB C 13 38.7063662 0 . 1 . . . . . 66 ILE CB . 52440 1
478 . 1 . 1 66 66 ILE N N 15 121.4625673 0 . 1 . . . . . 66 ILE N . 52440 1
479 . 1 . 1 67 67 LYS H H 1 8.664922036 0 . 1 . . . . . 67 LYS H . 52440 1
480 . 1 . 1 67 67 LYS HA H 1 3.970891508 0 . 1 . . . . . 67 LYS HA . 52440 1
481 . 1 . 1 67 67 LYS C C 13 179.6350737 0 . 1 . . . . . 67 LYS C . 52440 1
482 . 1 . 1 67 67 LYS CA C 13 59.72919009 0 . 1 . . . . . 67 LYS CA . 52440 1
483 . 1 . 1 67 67 LYS CB C 13 31.69875823 0 . 1 . . . . . 67 LYS CB . 52440 1
484 . 1 . 1 67 67 LYS N N 15 117.6873342 0 . 1 . . . . . 67 LYS N . 52440 1
485 . 1 . 1 68 68 ASN H H 1 8.077510405 0 . 1 . . . . . 68 ASN H . 52440 1
486 . 1 . 1 68 68 ASN HA H 1 4.574019023 0 . 1 . . . . . 68 ASN HA . 52440 1
487 . 1 . 1 68 68 ASN HB2 H 1 2.914926455 0 . 2 . . . . . 68 ASN HB# . 52440 1
488 . 1 . 1 68 68 ASN HB3 H 1 2.914926455 0 . 2 . . . . . 68 ASN HB# . 52440 1
489 . 1 . 1 68 68 ASN C C 13 177.2625732 0 . 1 . . . . . 68 ASN C . 52440 1
490 . 1 . 1 68 68 ASN CA C 13 56.22538611 0 . 1 . . . . . 68 ASN CA . 52440 1
491 . 1 . 1 68 68 ASN CB C 13 38.7063662 0 . 1 . . . . . 68 ASN CB . 52440 1
492 . 1 . 1 68 68 ASN N N 15 118.8374862 0 . 1 . . . . . 68 ASN N . 52440 1
493 . 1 . 1 69 69 ASN H H 1 8.579240917 0 . 1 . . . . . 69 ASN H . 52440 1
494 . 1 . 1 69 69 ASN HA H 1 4.558161582 0 . 1 . . . . . 69 ASN HA . 52440 1
495 . 1 . 1 69 69 ASN HB2 H 1 3.378356394 0 . 2 . . . . . 69 ASN HB2 . 52440 1
496 . 1 . 1 69 69 ASN HB3 H 1 2.646927882 0 . 2 . . . . . 69 ASN HB3 . 52440 1
497 . 1 . 1 69 69 ASN C C 13 177.4119104 0 . 1 . . . . . 69 ASN C . 52440 1
498 . 1 . 1 69 69 ASN CA C 13 55.71387649 0 . 1 . . . . . 69 ASN CA . 52440 1
499 . 1 . 1 69 69 ASN CB C 13 37.70527934 0 . 1 . . . . . 69 ASN CB . 52440 1
500 . 1 . 1 69 69 ASN N N 15 120.3664334 0 . 1 . . . . . 69 ASN N . 52440 1
501 . 1 . 1 70 70 LEU H H 1 8.645301732 0 . 1 . . . . . 70 LEU H . 52440 1
502 . 1 . 1 70 70 LEU HA H 1 4.170681144 0 . 1 . . . . . 70 LEU HA . 52440 1
503 . 1 . 1 70 70 LEU HB2 H 1 1.939387231 0 . 2 . . . . . 70 LEU HB2 . 52440 1
504 . 1 . 1 70 70 LEU HB3 H 1 1.547653751 0 . 2 . . . . . 70 LEU HB3 . 52440 1
505 . 1 . 1 70 70 LEU C C 13 178.2884277 0 . 1 . . . . . 70 LEU C . 52440 1
506 . 1 . 1 70 70 LEU CA C 13 57.22647296 0 . 1 . . . . . 70 LEU CA . 52440 1
507 . 1 . 1 70 70 LEU CB C 13 42.32600141 0 . 1 . . . . . 70 LEU CB . 52440 1
508 . 1 . 1 70 70 LEU N N 15 120.3653663 0 . 1 . . . . . 70 LEU N . 52440 1
509 . 1 . 1 71 71 LYS H H 1 7.450002009 0 . 1 . . . . . 71 LYS H . 52440 1
510 . 1 . 1 71 71 LYS HA H 1 4.160204387 0 . 1 . . . . . 71 LYS HA . 52440 1
511 . 1 . 1 71 71 LYS HB2 H 1 1.947714188 0 . 2 . . . . . 71 LYS HB# . 52440 1
512 . 1 . 1 71 71 LYS HB3 H 1 1.947714188 0 . 2 . . . . . 71 LYS HB# . 52440 1
513 . 1 . 1 71 71 LYS C C 13 177.6142345 0 . 1 . . . . . 71 LYS C . 52440 1
514 . 1 . 1 71 71 LYS CA C 13 58.22755981 0 . 1 . . . . . 71 LYS CA . 52440 1
515 . 1 . 1 71 71 LYS CB C 13 32.69984508 0 . 1 . . . . . 71 LYS CB . 52440 1
516 . 1 . 1 71 71 LYS N N 15 117.1485525 0 . 1 . . . . . 71 LYS N . 52440 1
517 . 1 . 1 72 72 ASN H H 1 7.864954515 0 . 1 . . . . . 72 ASN H . 52440 1
518 . 1 . 1 72 72 ASN HA H 1 4.791306697 0 . 1 . . . . . 72 ASN HA . 52440 1
519 . 1 . 1 72 72 ASN HB2 H 1 2.877004589 0 . 2 . . . . . 72 ASN HB# . 52440 1
520 . 1 . 1 72 72 ASN HB3 H 1 2.877004589 0 . 2 . . . . . 72 ASN HB# . 52440 1
521 . 1 . 1 72 72 ASN C C 13 175.668375 0 . 1 . . . . . 72 ASN C . 52440 1
522 . 1 . 1 72 72 ASN CA C 13 54.72375583 0 . 1 . . . . . 72 ASN CA . 52440 1
523 . 1 . 1 72 72 ASN CB C 13 40.20799647 0 . 1 . . . . . 72 ASN CB . 52440 1
524 . 1 . 1 72 72 ASN N N 15 115.1154066 0 . 1 . . . . . 72 ASN N . 52440 1
525 . 1 . 1 73 73 SER H H 1 8.629281584 0 . 1 . . . . . 73 SER H . 52440 1
526 . 1 . 1 73 73 SER HA H 1 3.799454342 0 . 1 . . . . . 73 SER HA . 52440 1
527 . 1 . 1 73 73 SER C C 13 172.1283173 0 . 1 . . . . . 73 SER C . 52440 1
528 . 1 . 1 73 73 SER CA C 13 55.36299799 0 . 1 . . . . . 73 SER CA . 52440 1
529 . 1 . 1 73 73 SER CB C 13 63.95006929 0 . 1 . . . . . 73 SER CB . 52440 1
530 . 1 . 1 73 73 SER N N 15 115.4728762 0 . 1 . . . . . 73 SER N . 52440 1
531 . 1 . 1 74 74 PRO HA H 1 4.452930337 0 . 1 . . . . . 74 PRO HA . 52440 1
532 . 1 . 1 74 74 PRO HB2 H 1 2.494656227 0 . 2 . . . . . 74 PRO HB2 . 52440 1
533 . 1 . 1 74 74 PRO HB3 H 1 2.022726544 0 . 2 . . . . . 74 PRO HB3 . 52440 1
534 . 1 . 1 74 74 PRO C C 13 177.4786045 0 . 1 . . . . . 74 PRO C . 52440 1
535 . 1 . 1 74 74 PRO CA C 13 64.70494336 0 . 1 . . . . . 74 PRO CA . 52440 1
536 . 1 . 1 74 74 PRO CB C 13 31.47225559 0 . 1 . . . . . 74 PRO CB . 52440 1
537 . 1 . 1 75 75 ASP H H 1 8.443427516 0 . 1 . . . . . 75 ASP H . 52440 1
538 . 1 . 1 75 75 ASP HA H 1 4.666442439 0 . 1 . . . . . 75 ASP HA . 52440 1
539 . 1 . 1 75 75 ASP HB2 H 1 2.666505238 0 . 2 . . . . . 75 ASP HB# . 52440 1
540 . 1 . 1 75 75 ASP HB3 H 1 2.666505238 0 . 2 . . . . . 75 ASP HB# . 52440 1
541 . 1 . 1 75 75 ASP C C 13 177.3142477 0 . 1 . . . . . 75 ASP C . 52440 1
542 . 1 . 1 75 75 ASP CA C 13 54.52994162 0 . 1 . . . . . 75 ASP CA . 52440 1
543 . 1 . 1 75 75 ASP CB C 13 40.34052901 0 . 1 . . . . . 75 ASP CB . 52440 1
544 . 1 . 1 75 75 ASP N N 15 117.2104256 0 . 1 . . . . . 75 ASP N . 52440 1
545 . 1 . 1 76 76 LEU H H 1 7.768992157 0 . 1 . . . . . 76 LEU H . 52440 1
546 . 1 . 1 76 76 LEU HA H 1 3.877407208 0 . 1 . . . . . 76 LEU HA . 52440 1
547 . 1 . 1 76 76 LEU HB2 H 1 1.448981285 0 . 2 . . . . . 76 LEU HB2 . 52440 1
548 . 1 . 1 76 76 LEU HB3 H 1 1.037560225 0 . 2 . . . . . 76 LEU HB3 . 52440 1
549 . 1 . 1 76 76 LEU C C 13 177.5101261 0 . 1 . . . . . 76 LEU C . 52440 1
550 . 1 . 1 76 76 LEU CA C 13 57.72700546 0 . 1 . . . . . 76 LEU CA . 52440 1
551 . 1 . 1 76 76 LEU CB C 13 42.21017018 0 . 1 . . . . . 76 LEU CB . 52440 1
552 . 1 . 1 76 76 LEU N N 15 121.9206877 0 . 1 . . . . . 76 LEU N . 52440 1
553 . 1 . 1 77 77 TYR H H 1 7.884951065 0 . 1 . . . . . 77 TYR H . 52440 1
554 . 1 . 1 77 77 TYR HA H 1 4.544745009 0 . 1 . . . . . 77 TYR HA . 52440 1
555 . 1 . 1 77 77 TYR HB2 H 1 3.140467631 0 . 2 . . . . . 77 TYR HB2 . 52440 1
556 . 1 . 1 77 77 TYR HB3 H 1 2.72073503 0 . 2 . . . . . 77 TYR HB3 . 52440 1
557 . 1 . 1 77 77 TYR C C 13 176.1515729 0 . 1 . . . . . 77 TYR C . 52440 1
558 . 1 . 1 77 77 TYR CA C 13 57.22647296 0 . 1 . . . . . 77 TYR CA . 52440 1
559 . 1 . 1 77 77 TYR CB C 13 37.88892251 0 . 1 . . . . . 77 TYR CB . 52440 1
560 . 1 . 1 77 77 TYR N N 15 114.3295609 0 . 1 . . . . . 77 TYR N . 52440 1
561 . 1 . 1 78 78 SER H H 1 7.825467788 0 . 1 . . . . . 78 SER H . 52440 1
562 . 1 . 1 78 78 SER HA H 1 4.359890712 0 . 1 . . . . . 78 SER HA . 52440 1
563 . 1 . 1 78 78 SER HB2 H 1 3.890556858 0 . 2 . . . . . 78 SER HB# . 52440 1
564 . 1 . 1 78 78 SER HB3 H 1 3.890556858 0 . 2 . . . . . 78 SER HB# . 52440 1
565 . 1 . 1 78 78 SER C C 13 174.7022109 0 . 1 . . . . . 78 SER C . 52440 1
566 . 1 . 1 78 78 SER CA C 13 59.22864666 0 . 1 . . . . . 78 SER CA . 52440 1
567 . 1 . 1 78 78 SER CB C 13 63.7335375 0 . 1 . . . . . 78 SER CB . 52440 1
568 . 1 . 1 78 78 SER N N 15 115.4346303 0 . 1 . . . . . 78 SER N . 52440 1
569 . 1 . 1 79 79 HIS HA H 1 4.59 0 . 1 . . . . . 79 HIS HA . 52440 1
570 . 1 . 1 79 79 HIS HB2 H 1 2.681205254 0 . 2 . . . . . 79 HIS HB# . 52440 1
571 . 1 . 1 79 79 HIS HB3 H 1 2.681205254 0 . 2 . . . . . 79 HIS HB# . 52440 1
572 . 1 . 1 79 79 HIS CA C 13 54.42655954 0 . 1 . . . . . 79 HIS CA . 52440 1
573 . 1 . 1 79 79 HIS CB C 13 29.697 0 . 1 . . . . . 79 HIS CB . 52440 1
574 . 1 . 1 80 80 HIS H H 1 8.30092281 0 . 1 . . . . . 80 HIS H . 52440 1
575 . 1 . 1 80 80 HIS HA H 1 4.607355526 0 . 1 . . . . . 80 HIS HA . 52440 1
576 . 1 . 1 80 80 HIS HB2 H 1 3.119732843 0 . 2 . . . . . 80 HIS HB2 . 52440 1
577 . 1 . 1 80 80 HIS HB3 H 1 2.979002643 0 . 2 . . . . . 80 HIS HB3 . 52440 1
578 . 1 . 1 80 80 HIS C C 13 174.7306114 0 . 1 . . . . . 80 HIS C . 52440 1
579 . 1 . 1 80 80 HIS CA C 13 56.39800239 0 . 1 . . . . . 80 HIS CA . 52440 1
580 . 1 . 1 80 80 HIS CB C 13 29.69658453 0 . 1 . . . . . 80 HIS CB . 52440 1
581 . 1 . 1 80 80 HIS N N 15 118.4990751 0 . 1 . . . . . 80 HIS N . 52440 1
582 . 1 . 1 81 81 PHE H H 1 8.242295237 0 . 1 . . . . . 81 PHE H . 52440 1
583 . 1 . 1 81 81 PHE HA H 1 4.579798883 0 . 1 . . . . . 81 PHE HA . 52440 1
584 . 1 . 1 81 81 PHE HB2 H 1 3.151194785 0 . 2 . . . . . 81 PHE HB2 . 52440 1
585 . 1 . 1 81 81 PHE HB3 H 1 3.024920048 0 . 2 . . . . . 81 PHE HB3 . 52440 1
586 . 1 . 1 81 81 PHE C C 13 175.4996907 0 . 1 . . . . . 81 PHE C . 52440 1
587 . 1 . 1 81 81 PHE CA C 13 57.944767 0 . 1 . . . . . 81 PHE CA . 52440 1
588 . 1 . 1 81 81 PHE CB C 13 39.20164824 0 . 1 . . . . . 81 PHE CB . 52440 1
589 . 1 . 1 81 81 PHE N N 15 121.0788228 0 . 1 . . . . . 81 PHE N . 52440 1
590 . 1 . 1 82 82 GLN H H 1 8.293403915 0 . 1 . . . . . 82 GLN H . 52440 1
591 . 1 . 1 82 82 GLN HA H 1 4.328516261 0 . 1 . . . . . 82 GLN HA . 52440 1
592 . 1 . 1 82 82 GLN HB2 H 1 2.047701884 0 . 2 . . . . . 82 GLN HB2 . 52440 1
593 . 1 . 1 82 82 GLN HB3 H 1 1.944840608 0 . 2 . . . . . 82 GLN HB3 . 52440 1
594 . 1 . 1 82 82 GLN C C 13 175.5534498 0 . 1 . . . . . 82 GLN C . 52440 1
595 . 1 . 1 82 82 GLN CA C 13 55.72484268 0 . 1 . . . . . 82 GLN CA . 52440 1
596 . 1 . 1 82 82 GLN CB C 13 29.1960411 0 . 1 . . . . . 82 GLN CB . 52440 1
597 . 1 . 1 82 82 GLN N N 15 121.7855259 0 . 1 . . . . . 82 GLN N . 52440 1
598 . 1 . 1 83 83 SER H H 1 8.292277489 0 . 1 . . . . . 83 SER H . 52440 1
599 . 1 . 1 83 83 SER HA H 1 4.474579966 0 . 1 . . . . . 83 SER HA . 52440 1
600 . 1 . 1 83 83 SER HB2 H 1 3.866913412 0 . 2 . . . . . 83 SER HB# . 52440 1
601 . 1 . 1 83 83 SER HB3 H 1 3.866913412 0 . 2 . . . . . 83 SER HB# . 52440 1
602 . 1 . 1 83 83 SER C C 13 174.3982562 0 . 1 . . . . . 83 SER C . 52440 1
603 . 1 . 1 83 83 SER CA C 13 58.22755981 0 . 1 . . . . . 83 SER CA . 52440 1
604 . 1 . 1 83 83 SER CB C 13 63.7335375 0 . 1 . . . . . 83 SER CB . 52440 1
605 . 1 . 1 83 83 SER N N 15 116.7894424 0 . 1 . . . . . 83 SER N . 52440 1
606 . 1 . 1 84 84 HIS HA H 1 4.721491671 0 . 1 . . . . . 84 HIS HA . 52440 1
607 . 1 . 1 84 84 HIS HB2 H 1 3.276001997 0 . 2 . . . . . 84 HIS HB2 . 52440 1
608 . 1 . 1 84 84 HIS HB3 H 1 3.158800131 0 . 2 . . . . . 84 HIS HB3 . 52440 1
609 . 1 . 1 84 84 HIS CA C 13 56.22538611 0 . 1 . . . . . 84 HIS CA . 52440 1
610 . 1 . 1 84 84 HIS CB C 13 29.70048144 0 . 1 . . . . . 84 HIS CB . 52440 1
611 . 1 . 1 85 85 GLY H H 1 8.449532283 0 . 1 . . . . . 85 GLY H . 52440 1
612 . 1 . 1 85 85 GLY CA C 13 45.21343073 0 . 1 . . . . . 85 GLY CA . 52440 1
613 . 1 . 1 85 85 GLY N N 15 109.8661312 0 . 1 . . . . . 85 GLY N . 52440 1
614 . 1 . 1 86 86 GLN HA H 1 4.619750646 0 . 1 . . . . . 86 GLN HA . 52440 1
615 . 1 . 1 86 86 GLN C C 13 174.9231325 0 . 1 . . . . . 86 GLN C . 52440 1
616 . 1 . 1 86 86 GLN CA C 13 56.07082472 0 . 1 . . . . . 86 GLN CA . 52440 1
617 . 1 . 1 86 86 GLN CB C 13 29.69658453 0 . 1 . . . . . 86 GLN CB . 52440 1
618 . 1 . 1 87 87 LEU H H 1 8.126801141 0 . 1 . . . . . 87 LEU H . 52440 1
619 . 1 . 1 87 87 LEU HA H 1 4.404984073 0 . 1 . . . . . 87 LEU HA . 52440 1
620 . 1 . 1 87 87 LEU HB2 H 1 1.622954554 0 . 2 . . . . . 87 LEU HB# . 52440 1
621 . 1 . 1 87 87 LEU HB3 H 1 1.622954554 0 . 2 . . . . . 87 LEU HB# . 52440 1
622 . 1 . 1 87 87 LEU HD11 H 1 0.903131058 0 . 2 . . . . . 87 LEU HD# . 52440 1
623 . 1 . 1 87 87 LEU HD12 H 1 0.903131058 0 . 2 . . . . . 87 LEU HD# . 52440 1
624 . 1 . 1 87 87 LEU HD13 H 1 0.903131058 0 . 2 . . . . . 87 LEU HD# . 52440 1
625 . 1 . 1 87 87 LEU HD21 H 1 0.903131058 0 . 2 . . . . . 87 LEU HD# . 52440 1
626 . 1 . 1 87 87 LEU HD22 H 1 0.903131058 0 . 2 . . . . . 87 LEU HD# . 52440 1
627 . 1 . 1 87 87 LEU HD23 H 1 0.903131058 0 . 2 . . . . . 87 LEU HD# . 52440 1
628 . 1 . 1 87 87 LEU C C 13 177.1799841 0 . 1 . . . . . 87 LEU C . 52440 1
629 . 1 . 1 87 87 LEU CA C 13 55.19009405 0 . 1 . . . . . 87 LEU CA . 52440 1
630 . 1 . 1 87 87 LEU CB C 13 42.21017018 0 . 1 . . . . . 87 LEU CB . 52440 1
631 . 1 . 1 87 87 LEU N N 15 122.5143053 0 . 1 . . . . . 87 LEU N . 52440 1
632 . 1 . 1 88 88 SER H H 1 8.285867785 0 . 1 . . . . . 88 SER H . 52440 1
633 . 1 . 1 88 88 SER HA H 1 4.438404112 0 . 1 . . . . . 88 SER HA . 52440 1
634 . 1 . 1 88 88 SER HB2 H 1 3.878827668 0 . 2 . . . . . 88 SER HB# . 52440 1
635 . 1 . 1 88 88 SER HB3 H 1 3.878827668 0 . 2 . . . . . 88 SER HB# . 52440 1
636 . 1 . 1 88 88 SER C C 13 174.0991273 0 . 1 . . . . . 88 SER C . 52440 1
637 . 1 . 1 88 88 SER CA C 13 58.72810324 0 . 1 . . . . . 88 SER CA . 52440 1
638 . 1 . 1 88 88 SER CB C 13 63.7335375 0 . 1 . . . . . 88 SER CB . 52440 1
639 . 1 . 1 88 88 SER N N 15 115.8990093 0 . 1 . . . . . 88 SER N . 52440 1
640 . 1 . 1 89 89 ASP H H 1 8.30814929 0 . 1 . . . . . 89 ASP H . 52440 1
641 . 1 . 1 89 89 ASP HA H 1 4.622090668 0 . 1 . . . . . 89 ASP HA . 52440 1
642 . 1 . 1 89 89 ASP HB2 H 1 2.603897245 0 . 2 . . . . . 89 ASP HB# . 52440 1
643 . 1 . 1 89 89 ASP HB3 H 1 2.603897245 0 . 2 . . . . . 89 ASP HB# . 52440 1
644 . 1 . 1 89 89 ASP C C 13 175.515215 0 . 1 . . . . . 89 ASP C . 52440 1
645 . 1 . 1 89 89 ASP CA C 13 54.72375583 0 . 1 . . . . . 89 ASP CA . 52440 1
646 . 1 . 1 89 89 ASP CB C 13 40.7085399 0 . 1 . . . . . 89 ASP CB . 52440 1
647 . 1 . 1 89 89 ASP N N 15 122.1499415 0 . 1 . . . . . 89 ASP N . 52440 1
648 . 1 . 1 90 90 HIS HA H 1 4.407635492 0 . 1 . . . . . 90 HIS HA . 52440 1
649 . 1 . 1 90 90 HIS HB2 H 1 2.143050631 0 . 2 . . . . . 90 HIS HB2 . 52440 1
650 . 1 . 1 90 90 HIS HB3 H 1 2.025848765 0 . 2 . . . . . 90 HIS HB3 . 52440 1
651 . 1 . 1 90 90 HIS C C 13 176.1239487 0 . 1 . . . . . 90 HIS C . 52440 1
652 . 1 . 1 90 90 HIS CA C 13 55.14971223 0 . 1 . . . . . 90 HIS CA . 52440 1
653 . 1 . 1 90 90 HIS CB C 13 29.34809186 0 . 1 . . . . . 90 HIS CB . 52440 1
654 . 1 . 1 91 91 LEU H H 1 8.43634253 0 . 1 . . . . . 91 LEU H . 52440 1
655 . 1 . 1 91 91 LEU HA H 1 4.406320122 0 . 1 . . . . . 91 LEU HA . 52440 1
656 . 1 . 1 91 91 LEU HB2 H 1 1.656023763 0 . 2 . . . . . 91 LEU HB2 . 52440 1
657 . 1 . 1 91 91 LEU HB3 H 1 1.656023763 0 . 2 . . . . . 91 LEU HB3 . 52440 1
658 . 1 . 1 91 91 LEU C C 13 177.3943971 0 . 1 . . . . . 91 LEU C . 52440 1
659 . 1 . 1 91 91 LEU CA C 13 55.64949299 0 . 1 . . . . . 91 LEU CA . 52440 1
660 . 1 . 1 91 91 LEU CB C 13 42.21017018 0 . 1 . . . . . 91 LEU CB . 52440 1
661 . 1 . 1 91 91 LEU N N 15 123.276708 0 . 1 . . . . . 91 LEU N . 52440 1
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