###################################
# 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_chemical_shift_ZR18_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_ZR18_1
_Assigned_chem_shift_list.Entry_ID 5844
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 $sample_1 . 5844 1
. . 2 $sample_2 . 5844 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET HA H 1 3.823 0.02 . 1 . . . . . . . . 5844 1
2 . 1 1 1 1 MET HB2 H 1 1.956 0.02 . 2 . . . . . . . . 5844 1
3 . 1 1 1 1 MET HB3 H 1 1.976 0.02 . 2 . . . . . . . . 5844 1
4 . 1 1 1 1 MET HG2 H 1 2.151 0.02 . 2 . . . . . . . . 5844 1
5 . 1 1 1 1 MET HG3 H 1 2.036 0.02 . 2 . . . . . . . . 5844 1
6 . 1 1 1 1 MET C C 13 170.978 0.1 . 1 . . . . . . . . 5844 1
7 . 1 1 1 1 MET CA C 13 55.193 0.1 . 1 . . . . . . . . 5844 1
8 . 1 1 1 1 MET CB C 13 34.019 0.1 . 1 . . . . . . . . 5844 1
9 . 1 1 1 1 MET CG C 13 31.136 0.1 . 1 . . . . . . . . 5844 1
10 . 1 1 2 2 LYS H H 1 8.560 0.02 . 1 . . . . . . . . 5844 1
11 . 1 1 2 2 LYS HA H 1 4.620 0.02 . 1 . . . . . . . . 5844 1
12 . 1 1 2 2 LYS HB2 H 1 1.494 0.02 . 2 . . . . . . . . 5844 1
13 . 1 1 2 2 LYS HB3 H 1 1.329 0.02 . 2 . . . . . . . . 5844 1
14 . 1 1 2 2 LYS HG2 H 1 1.384 0.02 . 2 . . . . . . . . 5844 1
15 . 1 1 2 2 LYS HG3 H 1 1.223 0.02 . 2 . . . . . . . . 5844 1
16 . 1 1 2 2 LYS HD2 H 1 1.604 0.02 . 2 . . . . . . . . 5844 1
17 . 1 1 2 2 LYS HD3 H 1 1.651 0.02 . 2 . . . . . . . . 5844 1
18 . 1 1 2 2 LYS HE2 H 1 2.909 0.02 . 2 . . . . . . . . 5844 1
19 . 1 1 2 2 LYS C C 13 174.608 0.1 . 1 . . . . . . . . 5844 1
20 . 1 1 2 2 LYS CA C 13 54.206 0.1 . 1 . . . . . . . . 5844 1
21 . 1 1 2 2 LYS CB C 13 35.916 0.1 . 1 . . . . . . . . 5844 1
22 . 1 1 2 2 LYS CG C 13 24.011 0.1 . 1 . . . . . . . . 5844 1
23 . 1 1 2 2 LYS CD C 13 29.373 0.1 . 1 . . . . . . . . 5844 1
24 . 1 1 2 2 LYS CE C 13 42.086 0.1 . 1 . . . . . . . . 5844 1
25 . 1 1 2 2 LYS N N 15 122.783 0.1 . 1 . . . . . . . . 5844 1
26 . 1 1 3 3 ILE H H 1 8.373 0.02 . 1 . . . . . . . . 5844 1
27 . 1 1 3 3 ILE HA H 1 3.659 0.02 . 1 . . . . . . . . 5844 1
28 . 1 1 3 3 ILE HB H 1 1.486 0.02 . 1 . . . . . . . . 5844 1
29 . 1 1 3 3 ILE HG12 H 1 0.781 0.02 . 2 . . . . . . . . 5844 1
30 . 1 1 3 3 ILE HG13 H 1 0.060 0.02 . 2 . . . . . . . . 5844 1
31 . 1 1 3 3 ILE HG21 H 1 0.595 0.02 . 1 . . . . . . . . 5844 1
32 . 1 1 3 3 ILE HG22 H 1 0.595 0.02 . 1 . . . . . . . . 5844 1
33 . 1 1 3 3 ILE HG23 H 1 0.595 0.02 . 1 . . . . . . . . 5844 1
34 . 1 1 3 3 ILE HD11 H 1 0.775 0.02 . 1 . . . . . . . . 5844 1
35 . 1 1 3 3 ILE HD12 H 1 0.775 0.02 . 1 . . . . . . . . 5844 1
36 . 1 1 3 3 ILE HD13 H 1 0.775 0.02 . 1 . . . . . . . . 5844 1
37 . 1 1 3 3 ILE C C 13 176.569 0.1 . 1 . . . . . . . . 5844 1
38 . 1 1 3 3 ILE CA C 13 62.565 0.1 . 1 . . . . . . . . 5844 1
39 . 1 1 3 3 ILE CB C 13 38.792 0.1 . 1 . . . . . . . . 5844 1
40 . 1 1 3 3 ILE CG1 C 13 27.255 0.1 . 1 . . . . . . . . 5844 1
41 . 1 1 3 3 ILE CG2 C 13 17.200 0.1 . 1 . . . . . . . . 5844 1
42 . 1 1 3 3 ILE CD1 C 13 14.332 0.1 . 1 . . . . . . . . 5844 1
43 . 1 1 3 3 ILE N N 15 120.076 0.1 . 1 . . . . . . . . 5844 1
44 . 1 1 4 4 ILE H H 1 9.159 0.02 . 1 . . . . . . . . 5844 1
45 . 1 1 4 4 ILE HA H 1 4.135 0.02 . 1 . . . . . . . . 5844 1
46 . 1 1 4 4 ILE HB H 1 1.613 0.02 . 1 . . . . . . . . 5844 1
47 . 1 1 4 4 ILE HG12 H 1 1.164 0.02 . 2 . . . . . . . . 5844 1
48 . 1 1 4 4 ILE HG13 H 1 1.025 0.02 . 2 . . . . . . . . 5844 1
49 . 1 1 4 4 ILE HG21 H 1 0.802 0.02 . 1 . . . . . . . . 5844 1
50 . 1 1 4 4 ILE HG22 H 1 0.802 0.02 . 1 . . . . . . . . 5844 1
51 . 1 1 4 4 ILE HG23 H 1 0.802 0.02 . 1 . . . . . . . . 5844 1
52 . 1 1 4 4 ILE HD11 H 1 0.640 0.02 . 1 . . . . . . . . 5844 1
53 . 1 1 4 4 ILE HD12 H 1 0.640 0.02 . 1 . . . . . . . . 5844 1
54 . 1 1 4 4 ILE HD13 H 1 0.640 0.02 . 1 . . . . . . . . 5844 1
55 . 1 1 4 4 ILE C C 13 176.194 0.1 . 1 . . . . . . . . 5844 1
56 . 1 1 4 4 ILE CA C 13 60.586 0.1 . 1 . . . . . . . . 5844 1
57 . 1 1 4 4 ILE CB C 13 37.466 0.1 . 1 . . . . . . . . 5844 1
58 . 1 1 4 4 ILE CG1 C 13 26.368 0.1 . 1 . . . . . . . . 5844 1
59 . 1 1 4 4 ILE CG2 C 13 16.570 0.1 . 1 . . . . . . . . 5844 1
60 . 1 1 4 4 ILE CD1 C 13 10.304 0.1 . 1 . . . . . . . . 5844 1
61 . 1 1 4 4 ILE N N 15 127.239 0.1 . 1 . . . . . . . . 5844 1
62 . 1 1 5 5 SER H H 1 7.482 0.02 . 1 . . . . . . . . 5844 1
63 . 1 1 5 5 SER HA H 1 4.545 0.02 . 1 . . . . . . . . 5844 1
64 . 1 1 5 5 SER HB2 H 1 3.784 0.02 . 1 . . . . . . . . 5844 1
65 . 1 1 5 5 SER HB3 H 1 3.784 0.02 . 1 . . . . . . . . 5844 1
66 . 1 1 5 5 SER C C 13 171.580 0.1 . 1 . . . . . . . . 5844 1
67 . 1 1 5 5 SER CA C 13 57.655 0.1 . 1 . . . . . . . . 5844 1
68 . 1 1 5 5 SER CB C 13 65.178 0.1 . 1 . . . . . . . . 5844 1
69 . 1 1 5 5 SER N N 15 112.465 0.1 . 1 . . . . . . . . 5844 1
70 . 1 1 6 6 ILE H H 1 8.402 0.02 . 1 . . . . . . . . 5844 1
71 . 1 1 6 6 ILE HA H 1 4.683 0.02 . 1 . . . . . . . . 5844 1
72 . 1 1 6 6 ILE HB H 1 1.604 0.02 . 1 . . . . . . . . 5844 1
73 . 1 1 6 6 ILE HG12 H 1 1.557 0.02 . 2 . . . . . . . . 5844 1
74 . 1 1 6 6 ILE HG13 H 1 0.890 0.02 . 2 . . . . . . . . 5844 1
75 . 1 1 6 6 ILE HG21 H 1 0.702 0.02 . 1 . . . . . . . . 5844 1
76 . 1 1 6 6 ILE HG22 H 1 0.702 0.02 . 1 . . . . . . . . 5844 1
77 . 1 1 6 6 ILE HG23 H 1 0.702 0.02 . 1 . . . . . . . . 5844 1
78 . 1 1 6 6 ILE HD11 H 1 0.829 0.02 . 1 . . . . . . . . 5844 1
79 . 1 1 6 6 ILE HD12 H 1 0.829 0.02 . 1 . . . . . . . . 5844 1
80 . 1 1 6 6 ILE HD13 H 1 0.829 0.02 . 1 . . . . . . . . 5844 1
81 . 1 1 6 6 ILE C C 13 175.289 0.1 . 1 . . . . . . . . 5844 1
82 . 1 1 6 6 ILE CA C 13 61.373 0.1 . 1 . . . . . . . . 5844 1
83 . 1 1 6 6 ILE CB C 13 40.612 0.1 . 1 . . . . . . . . 5844 1
84 . 1 1 6 6 ILE CG1 C 13 28.113 0.1 . 1 . . . . . . . . 5844 1
85 . 1 1 6 6 ILE CG2 C 13 17.923 0.1 . 1 . . . . . . . . 5844 1
86 . 1 1 6 6 ILE CD1 C 13 13.730 0.1 . 1 . . . . . . . . 5844 1
87 . 1 1 6 6 ILE N N 15 122.071 0.1 . 1 . . . . . . . . 5844 1
88 . 1 1 7 7 SER H H 1 9.201 0.02 . 1 . . . . . . . . 5844 1
89 . 1 1 7 7 SER HA H 1 4.814 0.02 . 1 . . . . . . . . 5844 1
90 . 1 1 7 7 SER HB2 H 1 3.622 0.02 . 2 . . . . . . . . 5844 1
91 . 1 1 7 7 SER HB3 H 1 3.744 0.02 . 2 . . . . . . . . 5844 1
92 . 1 1 7 7 SER C C 13 172.681 0.1 . 1 . . . . . . . . 5844 1
93 . 1 1 7 7 SER CA C 13 56.896 0.1 . 1 . . . . . . . . 5844 1
94 . 1 1 7 7 SER CB C 13 66.053 0.1 . 1 . . . . . . . . 5844 1
95 . 1 1 7 7 SER N N 15 121.348 0.1 . 1 . . . . . . . . 5844 1
96 . 1 1 8 8 GLU H H 1 8.542 0.02 . 1 . . . . . . . . 5844 1
97 . 1 1 8 8 GLU HA H 1 4.669 0.02 . 1 . . . . . . . . 5844 1
98 . 1 1 8 8 GLU HB2 H 1 2.113 0.02 . 2 . . . . . . . . 5844 1
99 . 1 1 8 8 GLU HB3 H 1 1.938 0.02 . 2 . . . . . . . . 5844 1
100 . 1 1 8 8 GLU HG2 H 1 2.241 0.02 . 1 . . . . . . . . 5844 1
101 . 1 1 8 8 GLU HG3 H 1 2.241 0.02 . 1 . . . . . . . . 5844 1
102 . 1 1 8 8 GLU C C 13 176.388 0.1 . 1 . . . . . . . . 5844 1
103 . 1 1 8 8 GLU CA C 13 56.702 0.1 . 1 . . . . . . . . 5844 1
104 . 1 1 8 8 GLU CB C 13 30.736 0.1 . 1 . . . . . . . . 5844 1
105 . 1 1 8 8 GLU CG C 13 36.787 0.1 . 1 . . . . . . . . 5844 1
106 . 1 1 8 8 GLU N N 15 123.371 0.1 . 1 . . . . . . . . 5844 1
107 . 1 1 9 9 THR H H 1 8.663 0.02 . 1 . . . . . . . . 5844 1
108 . 1 1 9 9 THR HA H 1 4.958 0.02 . 1 . . . . . . . . 5844 1
109 . 1 1 9 9 THR HB H 1 4.516 0.02 . 1 . . . . . . . . 5844 1
110 . 1 1 9 9 THR HG21 H 1 1.108 0.02 . 1 . . . . . . . . 5844 1
111 . 1 1 9 9 THR HG22 H 1 1.108 0.02 . 1 . . . . . . . . 5844 1
112 . 1 1 9 9 THR HG23 H 1 1.108 0.02 . 1 . . . . . . . . 5844 1
113 . 1 1 9 9 THR CA C 13 60.316 0.1 . 1 . . . . . . . . 5844 1
114 . 1 1 9 9 THR CB C 13 69.478 0.1 . 1 . . . . . . . . 5844 1
115 . 1 1 9 9 THR CG2 C 13 21.130 0.1 . 1 . . . . . . . . 5844 1
116 . 1 1 9 9 THR N N 15 112.855 0.1 . 1 . . . . . . . . 5844 1
117 . 1 1 10 10 PRO HA H 1 4.376 0.02 . 1 . . . . . . . . 5844 1
118 . 1 1 10 10 PRO HB2 H 1 2.465 0.02 . 2 . . . . . . . . 5844 1
119 . 1 1 10 10 PRO HB3 H 1 1.842 0.02 . 2 . . . . . . . . 5844 1
120 . 1 1 10 10 PRO HG2 H 1 2.072 0.02 . 2 . . . . . . . . 5844 1
121 . 1 1 10 10 PRO HG3 H 1 1.915 0.02 . 2 . . . . . . . . 5844 1
122 . 1 1 10 10 PRO HD2 H 1 3.839 0.02 . 2 . . . . . . . . 5844 1
123 . 1 1 10 10 PRO HD3 H 1 3.643 0.02 . 2 . . . . . . . . 5844 1
124 . 1 1 10 10 PRO C C 13 176.126 0.1 . 1 . . . . . . . . 5844 1
125 . 1 1 10 10 PRO CA C 13 64.454 0.1 . 1 . . . . . . . . 5844 1
126 . 1 1 10 10 PRO CB C 13 32.008 0.1 . 1 . . . . . . . . 5844 1
127 . 1 1 10 10 PRO CG C 13 27.971 0.1 . 1 . . . . . . . . 5844 1
128 . 1 1 10 10 PRO CD C 13 51.341 0.1 . 1 . . . . . . . . 5844 1
129 . 1 1 11 11 ASN H H 1 7.621 0.02 . 1 . . . . . . . . 5844 1
130 . 1 1 11 11 ASN HA H 1 4.933 0.02 . 1 . . . . . . . . 5844 1
131 . 1 1 11 11 ASN HB2 H 1 2.860 0.02 . 2 . . . . . . . . 5844 1
132 . 1 1 11 11 ASN HB3 H 1 2.663 0.02 . 2 . . . . . . . . 5844 1
133 . 1 1 11 11 ASN HD21 H 1 7.634 0.02 . 1 . . . . . . . . 5844 1
134 . 1 1 11 11 ASN HD22 H 1 6.983 0.02 . 1 . . . . . . . . 5844 1
135 . 1 1 11 11 ASN CA C 13 51.559 0.1 . 1 . . . . . . . . 5844 1
136 . 1 1 11 11 ASN CB C 13 39.809 0.1 . 1 . . . . . . . . 5844 1
137 . 1 1 11 11 ASN N N 15 114.720 0.1 . 1 . . . . . . . . 5844 1
138 . 1 1 11 11 ASN ND2 N 15 113.599 0.1 . 1 . . . . . . . . 5844 1
139 . 1 1 12 12 HIS HA H 1 4.702 0.02 . 1 . . . . . . . . 5844 1
140 . 1 1 12 12 HIS HB2 H 1 3.491 0.02 . 2 . . . . . . . . 5844 1
141 . 1 1 12 12 HIS HB3 H 1 3.409 0.02 . 2 . . . . . . . . 5844 1
142 . 1 1 12 12 HIS HD2 H 1 7.311 0.02 . 1 . . . . . . . . 5844 1
143 . 1 1 12 12 HIS C C 13 175.663 0.1 . 1 . . . . . . . . 5844 1
144 . 1 1 12 12 HIS CA C 13 58.463 0.1 . 1 . . . . . . . . 5844 1
145 . 1 1 12 12 HIS CB C 13 28.533 0.1 . 1 . . . . . . . . 5844 1
146 . 1 1 12 12 HIS CD2 C 13 120.513 0.1 . 1 . . . . . . . . 5844 1
147 . 1 1 13 13 ASN H H 1 8.511 0.02 . 1 . . . . . . . . 5844 1
148 . 1 1 13 13 ASN HA H 1 5.018 0.02 . 1 . . . . . . . . 5844 1
149 . 1 1 13 13 ASN HB2 H 1 2.723 0.02 . 2 . . . . . . . . 5844 1
150 . 1 1 13 13 ASN HB3 H 1 3.330 0.02 . 2 . . . . . . . . 5844 1
151 . 1 1 13 13 ASN HD21 H 1 7.375 0.02 . 1 . . . . . . . . 5844 1
152 . 1 1 13 13 ASN HD22 H 1 7.222 0.02 . 1 . . . . . . . . 5844 1
153 . 1 1 13 13 ASN C C 13 174.367 0.1 . 1 . . . . . . . . 5844 1
154 . 1 1 13 13 ASN CA C 13 53.890 0.1 . 1 . . . . . . . . 5844 1
155 . 1 1 13 13 ASN CB C 13 38.854 0.1 . 1 . . . . . . . . 5844 1
156 . 1 1 13 13 ASN N N 15 115.359 0.1 . 1 . . . . . . . . 5844 1
157 . 1 1 13 13 ASN ND2 N 15 113.227 0.1 . 1 . . . . . . . . 5844 1
158 . 1 1 14 14 THR H H 1 8.234 0.02 . 1 . . . . . . . . 5844 1
159 . 1 1 14 14 THR HA H 1 5.980 0.02 . 1 . . . . . . . . 5844 1
160 . 1 1 14 14 THR HB H 1 3.824 0.02 . 1 . . . . . . . . 5844 1
161 . 1 1 14 14 THR HG21 H 1 1.213 0.02 . 1 . . . . . . . . 5844 1
162 . 1 1 14 14 THR HG22 H 1 1.213 0.02 . 1 . . . . . . . . 5844 1
163 . 1 1 14 14 THR HG23 H 1 1.213 0.02 . 1 . . . . . . . . 5844 1
164 . 1 1 14 14 THR C C 13 174.278 0.1 . 1 . . . . . . . . 5844 1
165 . 1 1 14 14 THR CA C 13 62.729 0.1 . 1 . . . . . . . . 5844 1
166 . 1 1 14 14 THR CB C 13 71.595 0.1 . 1 . . . . . . . . 5844 1
167 . 1 1 14 14 THR CG2 C 13 22.584 0.1 . 1 . . . . . . . . 5844 1
168 . 1 1 14 14 THR N N 15 117.676 0.1 . 1 . . . . . . . . 5844 1
169 . 1 1 15 15 MET H H 1 8.994 0.02 . 1 . . . . . . . . 5844 1
170 . 1 1 15 15 MET HA H 1 4.868 0.02 . 1 . . . . . . . . 5844 1
171 . 1 1 15 15 MET HB2 H 1 1.282 0.02 . 2 . . . . . . . . 5844 1
172 . 1 1 15 15 MET HB3 H 1 0.912 0.02 . 2 . . . . . . . . 5844 1
173 . 1 1 15 15 MET HG2 H 1 1.282 0.02 . 2 . . . . . . . . 5844 1
174 . 1 1 15 15 MET HG3 H 1 1.252 0.02 . 2 . . . . . . . . 5844 1
175 . 1 1 15 15 MET HE1 H 1 1.149 0.02 . 1 . . . . . . . . 5844 1
176 . 1 1 15 15 MET HE2 H 1 1.149 0.02 . 1 . . . . . . . . 5844 1
177 . 1 1 15 15 MET HE3 H 1 1.149 0.02 . 1 . . . . . . . . 5844 1
178 . 1 1 15 15 MET C C 13 173.748 0.1 . 1 . . . . . . . . 5844 1
179 . 1 1 15 15 MET CA C 13 53.076 0.1 . 1 . . . . . . . . 5844 1
180 . 1 1 15 15 MET CB C 13 34.692 0.1 . 1 . . . . . . . . 5844 1
181 . 1 1 15 15 MET CG C 13 31.698 0.1 . 1 . . . . . . . . 5844 1
182 . 1 1 15 15 MET CE C 13 15.886 0.1 . 1 . . . . . . . . 5844 1
183 . 1 1 15 15 MET N N 15 127.785 0.1 . 1 . . . . . . . . 5844 1
184 . 1 1 16 16 LYS H H 1 8.740 0.02 . 1 . . . . . . . . 5844 1
185 . 1 1 16 16 LYS HA H 1 5.017 0.02 . 1 . . . . . . . . 5844 1
186 . 1 1 16 16 LYS HB2 H 1 1.347 0.02 . 2 . . . . . . . . 5844 1
187 . 1 1 16 16 LYS HB3 H 1 1.672 0.02 . 2 . . . . . . . . 5844 1
188 . 1 1 16 16 LYS HG2 H 1 1.058 0.02 . 2 . . . . . . . . 5844 1
189 . 1 1 16 16 LYS HG3 H 1 0.877 0.02 . 2 . . . . . . . . 5844 1
190 . 1 1 16 16 LYS HD2 H 1 1.087 0.02 . 1 . . . . . . . . 5844 1
191 . 1 1 16 16 LYS HD3 H 1 1.087 0.02 . 1 . . . . . . . . 5844 1
192 . 1 1 16 16 LYS HE2 H 1 2.033 0.02 . 2 . . . . . . . . 5844 1
193 . 1 1 16 16 LYS HE3 H 1 1.431 0.02 . 2 . . . . . . . . 5844 1
194 . 1 1 16 16 LYS C C 13 175.183 0.1 . 1 . . . . . . . . 5844 1
195 . 1 1 16 16 LYS CA C 13 55.840 0.1 . 1 . . . . . . . . 5844 1
196 . 1 1 16 16 LYS CB C 13 34.524 0.1 . 1 . . . . . . . . 5844 1
197 . 1 1 16 16 LYS CG C 13 25.371 0.1 . 1 . . . . . . . . 5844 1
198 . 1 1 16 16 LYS CD C 13 29.625 0.1 . 1 . . . . . . . . 5844 1
199 . 1 1 16 16 LYS CE C 13 41.036 0.1 . 1 . . . . . . . . 5844 1
200 . 1 1 16 16 LYS N N 15 125.158 0.1 . 1 . . . . . . . . 5844 1
201 . 1 1 17 17 ILE H H 1 9.821 0.02 . 1 . . . . . . . . 5844 1
202 . 1 1 17 17 ILE HA H 1 4.738 0.02 . 1 . . . . . . . . 5844 1
203 . 1 1 17 17 ILE HB H 1 2.089 0.02 . 1 . . . . . . . . 5844 1
204 . 1 1 17 17 ILE HG12 H 1 0.993 0.02 . 2 . . . . . . . . 5844 1
205 . 1 1 17 17 ILE HG13 H 1 1.552 0.02 . 2 . . . . . . . . 5844 1
206 . 1 1 17 17 ILE HG21 H 1 0.706 0.02 . 1 . . . . . . . . 5844 1
207 . 1 1 17 17 ILE HG22 H 1 0.706 0.02 . 1 . . . . . . . . 5844 1
208 . 1 1 17 17 ILE HG23 H 1 0.706 0.02 . 1 . . . . . . . . 5844 1
209 . 1 1 17 17 ILE HD11 H 1 0.796 0.02 . 1 . . . . . . . . 5844 1
210 . 1 1 17 17 ILE HD12 H 1 0.796 0.02 . 1 . . . . . . . . 5844 1
211 . 1 1 17 17 ILE HD13 H 1 0.796 0.02 . 1 . . . . . . . . 5844 1
212 . 1 1 17 17 ILE C C 13 175.153 0.1 . 1 . . . . . . . . 5844 1
213 . 1 1 17 17 ILE CA C 13 60.903 0.1 . 1 . . . . . . . . 5844 1
214 . 1 1 17 17 ILE CB C 13 39.202 0.1 . 1 . . . . . . . . 5844 1
215 . 1 1 17 17 ILE CG1 C 13 27.425 0.1 . 1 . . . . . . . . 5844 1
216 . 1 1 17 17 ILE CG2 C 13 18.505 0.1 . 1 . . . . . . . . 5844 1
217 . 1 1 17 17 ILE CD1 C 13 13.630 0.1 . 1 . . . . . . . . 5844 1
218 . 1 1 17 17 ILE N N 15 131.726 0.1 . 1 . . . . . . . . 5844 1
219 . 1 1 18 18 THR H H 1 9.005 0.02 . 1 . . . . . . . . 5844 1
220 . 1 1 18 18 THR HA H 1 4.707 0.02 . 1 . . . . . . . . 5844 1
221 . 1 1 18 18 THR HB H 1 4.056 0.02 . 1 . . . . . . . . 5844 1
222 . 1 1 18 18 THR HG21 H 1 1.303 0.02 . 1 . . . . . . . . 5844 1
223 . 1 1 18 18 THR HG22 H 1 1.303 0.02 . 1 . . . . . . . . 5844 1
224 . 1 1 18 18 THR HG23 H 1 1.303 0.02 . 1 . . . . . . . . 5844 1
225 . 1 1 18 18 THR C C 13 174.158 0.1 . 1 . . . . . . . . 5844 1
226 . 1 1 18 18 THR CA C 13 63.777 0.1 . 1 . . . . . . . . 5844 1
227 . 1 1 18 18 THR CB C 13 68.945 0.1 . 1 . . . . . . . . 5844 1
228 . 1 1 18 18 THR CG2 C 13 21.426 0.1 . 1 . . . . . . . . 5844 1
229 . 1 1 18 18 THR N N 15 124.752 0.1 . 1 . . . . . . . . 5844 1
230 . 1 1 19 19 LEU H H 1 9.640 0.02 . 1 . . . . . . . . 5844 1
231 . 1 1 19 19 LEU HA H 1 5.008 0.02 . 1 . . . . . . . . 5844 1
232 . 1 1 19 19 LEU HB2 H 1 1.870 0.02 . 2 . . . . . . . . 5844 1
233 . 1 1 19 19 LEU HB3 H 1 1.622 0.02 . 2 . . . . . . . . 5844 1
234 . 1 1 19 19 LEU HG H 1 1.816 0.02 . 1 . . . . . . . . 5844 1
235 . 1 1 19 19 LEU HD11 H 1 0.871 0.02 . 1 . . . . . . . . 5844 1
236 . 1 1 19 19 LEU HD12 H 1 0.871 0.02 . 1 . . . . . . . . 5844 1
237 . 1 1 19 19 LEU HD13 H 1 0.871 0.02 . 1 . . . . . . . . 5844 1
238 . 1 1 19 19 LEU HD21 H 1 0.339 0.02 . 1 . . . . . . . . 5844 1
239 . 1 1 19 19 LEU HD22 H 1 0.339 0.02 . 1 . . . . . . . . 5844 1
240 . 1 1 19 19 LEU HD23 H 1 0.339 0.02 . 1 . . . . . . . . 5844 1
241 . 1 1 19 19 LEU C C 13 177.145 0.1 . 1 . . . . . . . . 5844 1
242 . 1 1 19 19 LEU CA C 13 53.302 0.1 . 1 . . . . . . . . 5844 1
243 . 1 1 19 19 LEU CB C 13 45.236 0.1 . 1 . . . . . . . . 5844 1
244 . 1 1 19 19 LEU CG C 13 27.274 0.1 . 1 . . . . . . . . 5844 1
245 . 1 1 19 19 LEU CD1 C 13 25.636 0.1 . 1 . . . . . . . . 5844 1
246 . 1 1 19 19 LEU CD2 C 13 23.644 0.1 . 1 . . . . . . . . 5844 1
247 . 1 1 19 19 LEU N N 15 128.781 0.1 . 1 . . . . . . . . 5844 1
248 . 1 1 20 20 SER H H 1 8.121 0.02 . 1 . . . . . . . . 5844 1
249 . 1 1 20 20 SER HA H 1 4.033 0.02 . 1 . . . . . . . . 5844 1
250 . 1 1 20 20 SER HB2 H 1 4.268 0.02 . 2 . . . . . . . . 5844 1
251 . 1 1 20 20 SER HB3 H 1 3.584 0.02 . 2 . . . . . . . . 5844 1
252 . 1 1 20 20 SER C C 13 173.483 0.1 . 1 . . . . . . . . 5844 1
253 . 1 1 20 20 SER CA C 13 59.557 0.1 . 1 . . . . . . . . 5844 1
254 . 1 1 20 20 SER CB C 13 63.159 0.1 . 1 . . . . . . . . 5844 1
255 . 1 1 20 20 SER N N 15 110.268 0.1 . 1 . . . . . . . . 5844 1
256 . 1 1 21 21 GLU H H 1 6.961 0.02 . 1 . . . . . . . . 5844 1
257 . 1 1 21 21 GLU HA H 1 4.734 0.02 . 1 . . . . . . . . 5844 1
258 . 1 1 21 21 GLU HB2 H 1 1.735 0.02 . 2 . . . . . . . . 5844 1
259 . 1 1 21 21 GLU HB3 H 1 2.082 0.02 . 2 . . . . . . . . 5844 1
260 . 1 1 21 21 GLU HG2 H 1 2.227 0.02 . 2 . . . . . . . . 5844 1
261 . 1 1 21 21 GLU HG3 H 1 2.265 0.02 . 2 . . . . . . . . 5844 1
262 . 1 1 21 21 GLU C C 13 174.805 0.1 . 1 . . . . . . . . 5844 1
263 . 1 1 21 21 GLU CA C 13 54.655 0.1 . 1 . . . . . . . . 5844 1
264 . 1 1 21 21 GLU CB C 13 33.366 0.1 . 1 . . . . . . . . 5844 1
265 . 1 1 21 21 GLU CG C 13 36.076 0.1 . 1 . . . . . . . . 5844 1
266 . 1 1 21 21 GLU N N 15 118.393 0.1 . 1 . . . . . . . . 5844 1
267 . 1 1 22 22 SER H H 1 8.623 0.02 . 1 . . . . . . . . 5844 1
268 . 1 1 22 22 SER HA H 1 4.670 0.02 . 1 . . . . . . . . 5844 1
269 . 1 1 22 22 SER HB2 H 1 3.678 0.02 . 2 . . . . . . . . 5844 1
270 . 1 1 22 22 SER HB3 H 1 3.679 0.02 . 2 . . . . . . . . 5844 1
271 . 1 1 22 22 SER C C 13 175.260 0.1 . 1 . . . . . . . . 5844 1
272 . 1 1 22 22 SER CA C 13 57.137 0.1 . 1 . . . . . . . . 5844 1
273 . 1 1 22 22 SER CB C 13 65.168 0.1 . 1 . . . . . . . . 5844 1
274 . 1 1 22 22 SER N N 15 115.935 0.1 . 1 . . . . . . . . 5844 1
275 . 1 1 23 23 ARG H H 1 8.191 0.02 . 1 . . . . . . . . 5844 1
276 . 1 1 23 23 ARG HA H 1 4.188 0.02 . 1 . . . . . . . . 5844 1
277 . 1 1 23 23 ARG HB2 H 1 1.625 0.02 . 2 . . . . . . . . 5844 1
278 . 1 1 23 23 ARG HB3 H 1 1.804 0.02 . 2 . . . . . . . . 5844 1
279 . 1 1 23 23 ARG HG2 H 1 1.535 0.02 . 2 . . . . . . . . 5844 1
280 . 1 1 23 23 ARG HG3 H 1 1.282 0.02 . 2 . . . . . . . . 5844 1
281 . 1 1 23 23 ARG HD2 H 1 2.422 0.02 . 2 . . . . . . . . 5844 1
282 . 1 1 23 23 ARG HD3 H 1 2.421 0.02 . 2 . . . . . . . . 5844 1
283 . 1 1 23 23 ARG C C 13 176.502 0.1 . 1 . . . . . . . . 5844 1
284 . 1 1 23 23 ARG CA C 13 56.683 0.1 . 1 . . . . . . . . 5844 1
285 . 1 1 23 23 ARG CB C 13 31.369 0.1 . 1 . . . . . . . . 5844 1
286 . 1 1 23 23 ARG CG C 13 27.264 0.1 . 1 . . . . . . . . 5844 1
287 . 1 1 23 23 ARG CD C 13 41.989 0.1 . 1 . . . . . . . . 5844 1
288 . 1 1 23 23 ARG N N 15 123.783 0.1 . 1 . . . . . . . . 5844 1
289 . 1 1 24 24 GLU H H 1 8.661 0.02 . 1 . . . . . . . . 5844 1
290 . 1 1 24 24 GLU HA H 1 4.203 0.02 . 1 . . . . . . . . 5844 1
291 . 1 1 24 24 GLU HB2 H 1 2.084 0.02 . 2 . . . . . . . . 5844 1
292 . 1 1 24 24 GLU HB3 H 1 1.987 0.02 . 2 . . . . . . . . 5844 1
293 . 1 1 24 24 GLU HG2 H 1 2.269 0.02 . 1 . . . . . . . . 5844 1
294 . 1 1 24 24 GLU HG3 H 1 2.269 0.02 . 1 . . . . . . . . 5844 1
295 . 1 1 24 24 GLU C C 13 177.273 0.1 . 1 . . . . . . . . 5844 1
296 . 1 1 24 24 GLU CA C 13 56.863 0.1 . 1 . . . . . . . . 5844 1
297 . 1 1 24 24 GLU CB C 13 29.913 0.1 . 1 . . . . . . . . 5844 1
298 . 1 1 24 24 GLU CG C 13 36.206 0.1 . 1 . . . . . . . . 5844 1
299 . 1 1 24 24 GLU N N 15 122.151 0.1 . 1 . . . . . . . . 5844 1
300 . 1 1 25 25 GLY H H 1 8.463 0.02 . 1 . . . . . . . . 5844 1
301 . 1 1 25 25 GLY HA2 H 1 3.981 0.02 . 2 . . . . . . . . 5844 1
302 . 1 1 25 25 GLY HA3 H 1 3.989 0.02 . 2 . . . . . . . . 5844 1
303 . 1 1 25 25 GLY C C 13 174.562 0.1 . 1 . . . . . . . . 5844 1
304 . 1 1 25 25 GLY CA C 13 45.348 0.1 . 1 . . . . . . . . 5844 1
305 . 1 1 25 25 GLY N N 15 111.861 0.1 . 1 . . . . . . . . 5844 1
306 . 1 1 26 26 MET H H 1 8.661 0.02 . 1 . . . . . . . . 5844 1
307 . 1 1 26 26 MET HA H 1 4.681 0.02 . 1 . . . . . . . . 5844 1
308 . 1 1 26 26 MET HB2 H 1 2.272 0.02 . 2 . . . . . . . . 5844 1
309 . 1 1 26 26 MET HB3 H 1 1.913 0.02 . 2 . . . . . . . . 5844 1
310 . 1 1 26 26 MET HG2 H 1 2.646 0.02 . 2 . . . . . . . . 5844 1
311 . 1 1 26 26 MET HG3 H 1 2.621 0.02 . 2 . . . . . . . . 5844 1
312 . 1 1 26 26 MET HE1 H 1 1.723 0.02 . 1 . . . . . . . . 5844 1
313 . 1 1 26 26 MET HE2 H 1 1.723 0.02 . 1 . . . . . . . . 5844 1
314 . 1 1 26 26 MET HE3 H 1 1.723 0.02 . 1 . . . . . . . . 5844 1
315 . 1 1 26 26 MET C C 13 176.411 0.1 . 1 . . . . . . . . 5844 1
316 . 1 1 26 26 MET CA C 13 54.635 0.1 . 1 . . . . . . . . 5844 1
317 . 1 1 26 26 MET CB C 13 32.103 0.1 . 1 . . . . . . . . 5844 1
318 . 1 1 26 26 MET CG C 13 32.262 0.1 . 1 . . . . . . . . 5844 1
319 . 1 1 26 26 MET CE C 13 17.385 0.1 . 1 . . . . . . . . 5844 1
320 . 1 1 26 26 MET N N 15 118.985 0.1 . 1 . . . . . . . . 5844 1
321 . 1 1 27 27 THR H H 1 7.601 0.02 . 1 . . . . . . . . 5844 1
322 . 1 1 27 27 THR HA H 1 4.276 0.02 . 1 . . . . . . . . 5844 1
323 . 1 1 27 27 THR HB H 1 4.234 0.02 . 1 . . . . . . . . 5844 1
324 . 1 1 27 27 THR HG21 H 1 1.233 0.02 . 1 . . . . . . . . 5844 1
325 . 1 1 27 27 THR HG22 H 1 1.233 0.02 . 1 . . . . . . . . 5844 1
326 . 1 1 27 27 THR HG23 H 1 1.233 0.02 . 1 . . . . . . . . 5844 1
327 . 1 1 27 27 THR C C 13 173.646 0.1 . 1 . . . . . . . . 5844 1
328 . 1 1 27 27 THR CA C 13 62.137 0.1 . 1 . . . . . . . . 5844 1
329 . 1 1 27 27 THR CB C 13 70.256 0.1 . 1 . . . . . . . . 5844 1
330 . 1 1 27 27 THR CG2 C 13 21.838 0.1 . 1 . . . . . . . . 5844 1
331 . 1 1 27 27 THR N N 15 112.356 0.1 . 1 . . . . . . . . 5844 1
332 . 1 1 28 28 SER H H 1 8.370 0.02 . 1 . . . . . . . . 5844 1
333 . 1 1 28 28 SER HA H 1 4.937 0.02 . 1 . . . . . . . . 5844 1
334 . 1 1 28 28 SER HB2 H 1 3.473 0.02 . 2 . . . . . . . . 5844 1
335 . 1 1 28 28 SER HB3 H 1 3.530 0.02 . 2 . . . . . . . . 5844 1
336 . 1 1 28 28 SER C C 13 172.911 0.1 . 1 . . . . . . . . 5844 1
337 . 1 1 28 28 SER CA C 13 56.309 0.1 . 1 . . . . . . . . 5844 1
338 . 1 1 28 28 SER CB C 13 67.031 0.1 . 1 . . . . . . . . 5844 1
339 . 1 1 28 28 SER N N 15 116.874 0.1 . 1 . . . . . . . . 5844 1
340 . 1 1 29 29 ASP H H 1 7.885 0.02 . 1 . . . . . . . . 5844 1
341 . 1 1 29 29 ASP HA H 1 4.823 0.02 . 1 . . . . . . . . 5844 1
342 . 1 1 29 29 ASP HB2 H 1 1.969 0.02 . 2 . . . . . . . . 5844 1
343 . 1 1 29 29 ASP HB3 H 1 1.723 0.02 . 2 . . . . . . . . 5844 1
344 . 1 1 29 29 ASP C C 13 173.762 0.1 . 1 . . . . . . . . 5844 1
345 . 1 1 29 29 ASP CA C 13 54.208 0.1 . 1 . . . . . . . . 5844 1
346 . 1 1 29 29 ASP CB C 13 47.234 0.1 . 1 . . . . . . . . 5844 1
347 . 1 1 29 29 ASP N N 15 117.074 0.1 . 1 . . . . . . . . 5844 1
348 . 1 1 30 30 THR H H 1 8.189 0.02 . 1 . . . . . . . . 5844 1
349 . 1 1 30 30 THR HA H 1 5.123 0.02 . 1 . . . . . . . . 5844 1
350 . 1 1 30 30 THR HB H 1 3.917 0.02 . 1 . . . . . . . . 5844 1
351 . 1 1 30 30 THR HG21 H 1 1.145 0.02 . 1 . . . . . . . . 5844 1
352 . 1 1 30 30 THR HG22 H 1 1.145 0.02 . 1 . . . . . . . . 5844 1
353 . 1 1 30 30 THR HG23 H 1 1.145 0.02 . 1 . . . . . . . . 5844 1
354 . 1 1 30 30 THR C C 13 173.612 0.1 . 1 . . . . . . . . 5844 1
355 . 1 1 30 30 THR CA C 13 61.941 0.1 . 1 . . . . . . . . 5844 1
356 . 1 1 30 30 THR CB C 13 70.143 0.1 . 1 . . . . . . . . 5844 1
357 . 1 1 30 30 THR CG2 C 13 21.130 0.1 . 1 . . . . . . . . 5844 1
358 . 1 1 30 30 THR N N 15 115.249 0.1 . 1 . . . . . . . . 5844 1
359 . 1 1 31 31 TYR H H 1 9.791 0.02 . 1 . . . . . . . . 5844 1
360 . 1 1 31 31 TYR HA H 1 5.153 0.02 . 1 . . . . . . . . 5844 1
361 . 1 1 31 31 TYR HB2 H 1 2.881 0.02 . 2 . . . . . . . . 5844 1
362 . 1 1 31 31 TYR HB3 H 1 2.635 0.02 . 2 . . . . . . . . 5844 1
363 . 1 1 31 31 TYR HD1 H 1 6.928 0.02 . 1 . . . . . . . . 5844 1
364 . 1 1 31 31 TYR HE1 H 1 6.727 0.02 . 1 . . . . . . . . 5844 1
365 . 1 1 31 31 TYR HD2 H 1 6.928 0.02 . 1 . . . . . . . . 5844 1
366 . 1 1 31 31 TYR HE2 H 1 6.727 0.02 . 1 . . . . . . . . 5844 1
367 . 1 1 31 31 TYR C C 13 175.531 0.1 . 1 . . . . . . . . 5844 1
368 . 1 1 31 31 TYR CA C 13 55.813 0.1 . 1 . . . . . . . . 5844 1
369 . 1 1 31 31 TYR CB C 13 41.157 0.1 . 1 . . . . . . . . 5844 1
370 . 1 1 31 31 TYR CD1 C 13 133.633 0.1 . 1 . . . . . . . . 5844 1
371 . 1 1 31 31 TYR CE1 C 13 117.584 0.1 . 1 . . . . . . . . 5844 1
372 . 1 1 31 31 TYR CD2 C 13 133.633 0.1 . 1 . . . . . . . . 5844 1
373 . 1 1 31 31 TYR CE2 C 13 117.584 0.1 . 1 . . . . . . . . 5844 1
374 . 1 1 31 31 TYR N N 15 127.894 0.1 . 1 . . . . . . . . 5844 1
375 . 1 1 32 32 THR H H 1 9.143 0.02 . 1 . . . . . . . . 5844 1
376 . 1 1 32 32 THR HA H 1 4.593 0.02 . 1 . . . . . . . . 5844 1
377 . 1 1 32 32 THR HB H 1 4.460 0.02 . 1 . . . . . . . . 5844 1
378 . 1 1 32 32 THR HG21 H 1 1.179 0.02 . 1 . . . . . . . . 5844 1
379 . 1 1 32 32 THR HG22 H 1 1.179 0.02 . 1 . . . . . . . . 5844 1
380 . 1 1 32 32 THR HG23 H 1 1.179 0.02 . 1 . . . . . . . . 5844 1
381 . 1 1 32 32 THR C C 13 173.565 0.1 . 1 . . . . . . . . 5844 1
382 . 1 1 32 32 THR CA C 13 61.611 0.1 . 1 . . . . . . . . 5844 1
383 . 1 1 32 32 THR CB C 13 71.109 0.1 . 1 . . . . . . . . 5844 1
384 . 1 1 32 32 THR CG2 C 13 22.032 0.1 . 1 . . . . . . . . 5844 1
385 . 1 1 32 32 THR N N 15 111.101 0.1 . 1 . . . . . . . . 5844 1
386 . 1 1 33 33 LYS H H 1 8.351 0.02 . 1 . . . . . . . . 5844 1
387 . 1 1 33 33 LYS HA H 1 4.717 0.02 . 1 . . . . . . . . 5844 1
388 . 1 1 33 33 LYS HB2 H 1 1.657 0.02 . 2 . . . . . . . . 5844 1
389 . 1 1 33 33 LYS HB3 H 1 1.337 0.02 . 2 . . . . . . . . 5844 1
390 . 1 1 33 33 LYS HG2 H 1 1.514 0.02 . 2 . . . . . . . . 5844 1
391 . 1 1 33 33 LYS HD2 H 1 1.677 0.02 . 2 . . . . . . . . 5844 1
392 . 1 1 33 33 LYS HD3 H 1 1.775 0.02 . 2 . . . . . . . . 5844 1
393 . 1 1 33 33 LYS HE2 H 1 2.966 0.02 . 2 . . . . . . . . 5844 1
394 . 1 1 33 33 LYS C C 13 174.595 0.1 . 1 . . . . . . . . 5844 1
395 . 1 1 33 33 LYS CA C 13 54.424 0.1 . 1 . . . . . . . . 5844 1
396 . 1 1 33 33 LYS CB C 13 35.335 0.1 . 1 . . . . . . . . 5844 1
397 . 1 1 33 33 LYS CG C 13 23.313 0.1 . 1 . . . . . . . . 5844 1
398 . 1 1 33 33 LYS CD C 13 29.126 0.1 . 1 . . . . . . . . 5844 1
399 . 1 1 33 33 LYS CE C 13 42.253 0.1 . 1 . . . . . . . . 5844 1
400 . 1 1 33 33 LYS N N 15 122.475 0.1 . 1 . . . . . . . . 5844 1
401 . 1 1 34 34 VAL H H 1 8.480 0.02 . 1 . . . . . . . . 5844 1
402 . 1 1 34 34 VAL HA H 1 3.618 0.02 . 1 . . . . . . . . 5844 1
403 . 1 1 34 34 VAL HB H 1 1.799 0.02 . 1 . . . . . . . . 5844 1
404 . 1 1 34 34 VAL HG11 H 1 0.714 0.02 . 1 . . . . . . . . 5844 1
405 . 1 1 34 34 VAL HG12 H 1 0.714 0.02 . 1 . . . . . . . . 5844 1
406 . 1 1 34 34 VAL HG13 H 1 0.714 0.02 . 1 . . . . . . . . 5844 1
407 . 1 1 34 34 VAL HG21 H 1 0.914 0.02 . 1 . . . . . . . . 5844 1
408 . 1 1 34 34 VAL HG22 H 1 0.914 0.02 . 1 . . . . . . . . 5844 1
409 . 1 1 34 34 VAL HG23 H 1 0.914 0.02 . 1 . . . . . . . . 5844 1
410 . 1 1 34 34 VAL C C 13 175.796 0.1 . 1 . . . . . . . . 5844 1
411 . 1 1 34 34 VAL CA C 13 63.644 0.1 . 1 . . . . . . . . 5844 1
412 . 1 1 34 34 VAL CB C 13 31.891 0.1 . 1 . . . . . . . . 5844 1
413 . 1 1 34 34 VAL CG1 C 13 21.249 0.1 . 1 . . . . . . . . 5844 1
414 . 1 1 34 34 VAL CG2 C 13 22.395 0.1 . 1 . . . . . . . . 5844 1
415 . 1 1 34 34 VAL N N 15 122.663 0.1 . 1 . . . . . . . . 5844 1
416 . 1 1 35 35 ASP H H 1 7.714 0.02 . 1 . . . . . . . . 5844 1
417 . 1 1 35 35 ASP HA H 1 4.705 0.02 . 1 . . . . . . . . 5844 1
418 . 1 1 35 35 ASP HB2 H 1 2.535 0.02 . 2 . . . . . . . . 5844 1
419 . 1 1 35 35 ASP HB3 H 1 2.194 0.02 . 2 . . . . . . . . 5844 1
420 . 1 1 35 35 ASP C C 13 176.718 0.1 . 1 . . . . . . . . 5844 1
421 . 1 1 35 35 ASP CA C 13 54.310 0.1 . 1 . . . . . . . . 5844 1
422 . 1 1 35 35 ASP CB C 13 46.385 0.1 . 1 . . . . . . . . 5844 1
423 . 1 1 35 35 ASP N N 15 125.352 0.1 . 1 . . . . . . . . 5844 1
424 . 1 1 36 36 ASP H H 1 9.090 0.02 . 1 . . . . . . . . 5844 1
425 . 1 1 36 36 ASP HA H 1 4.341 0.02 . 1 . . . . . . . . 5844 1
426 . 1 1 36 36 ASP HB2 H 1 2.686 0.02 . 2 . . . . . . . . 5844 1
427 . 1 1 36 36 ASP HB3 H 1 2.684 0.02 . 2 . . . . . . . . 5844 1
428 . 1 1 36 36 ASP C C 13 176.050 0.1 . 1 . . . . . . . . 5844 1
429 . 1 1 36 36 ASP CA C 13 57.092 0.1 . 1 . . . . . . . . 5844 1
430 . 1 1 36 36 ASP CB C 13 40.630 0.1 . 1 . . . . . . . . 5844 1
431 . 1 1 36 36 ASP N N 15 128.363 0.1 . 1 . . . . . . . . 5844 1
432 . 1 1 37 37 SER H H 1 8.950 0.02 . 1 . . . . . . . . 5844 1
433 . 1 1 37 37 SER HA H 1 4.370 0.02 . 1 . . . . . . . . 5844 1
434 . 1 1 37 37 SER HB2 H 1 3.945 0.02 . 2 . . . . . . . . 5844 1
435 . 1 1 37 37 SER HB3 H 1 4.008 0.02 . 2 . . . . . . . . 5844 1
436 . 1 1 37 37 SER C C 13 174.959 0.1 . 1 . . . . . . . . 5844 1
437 . 1 1 37 37 SER CA C 13 59.738 0.1 . 1 . . . . . . . . 5844 1
438 . 1 1 37 37 SER CB C 13 63.838 0.1 . 1 . . . . . . . . 5844 1
439 . 1 1 37 37 SER N N 15 114.863 0.1 . 1 . . . . . . . . 5844 1
440 . 1 1 38 38 GLN H H 1 7.631 0.02 . 1 . . . . . . . . 5844 1
441 . 1 1 38 38 GLN HA H 1 4.519 0.02 . 1 . . . . . . . . 5844 1
442 . 1 1 38 38 GLN HB2 H 1 2.012 0.02 . 2 . . . . . . . . 5844 1
443 . 1 1 38 38 GLN HB3 H 1 1.311 0.02 . 2 . . . . . . . . 5844 1
444 . 1 1 38 38 GLN HG2 H 1 2.390 0.02 . 2 . . . . . . . . 5844 1
445 . 1 1 38 38 GLN HG3 H 1 2.398 0.02 . 2 . . . . . . . . 5844 1
446 . 1 1 38 38 GLN HE21 H 1 7.284 0.02 . 1 . . . . . . . . 5844 1
447 . 1 1 38 38 GLN HE22 H 1 8.204 0.02 . 1 . . . . . . . . 5844 1
448 . 1 1 38 38 GLN CA C 13 53.582 0.1 . 1 . . . . . . . . 5844 1
449 . 1 1 38 38 GLN CB C 13 26.372 0.1 . 1 . . . . . . . . 5844 1
450 . 1 1 38 38 GLN CG C 13 35.863 0.1 . 1 . . . . . . . . 5844 1
451 . 1 1 38 38 GLN N N 15 121.850 0.1 . 1 . . . . . . . . 5844 1
452 . 1 1 38 38 GLN NE2 N 15 112.222 0.1 . 1 . . . . . . . . 5844 1
453 . 1 1 39 39 PRO HA H 1 4.310 0.02 . 1 . . . . . . . . 5844 1
454 . 1 1 39 39 PRO HB2 H 1 2.474 0.02 . 2 . . . . . . . . 5844 1
455 . 1 1 39 39 PRO HB3 H 1 1.134 0.02 . 2 . . . . . . . . 5844 1
456 . 1 1 39 39 PRO HG2 H 1 2.051 0.02 . 2 . . . . . . . . 5844 1
457 . 1 1 39 39 PRO HG3 H 1 1.956 0.02 . 2 . . . . . . . . 5844 1
458 . 1 1 39 39 PRO HD2 H 1 3.895 0.02 . 2 . . . . . . . . 5844 1
459 . 1 1 39 39 PRO HD3 H 1 2.667 0.02 . 2 . . . . . . . . 5844 1
460 . 1 1 39 39 PRO C C 13 177.152 0.1 . 1 . . . . . . . . 5844 1
461 . 1 1 39 39 PRO CA C 13 62.492 0.1 . 1 . . . . . . . . 5844 1
462 . 1 1 39 39 PRO CB C 13 32.913 0.1 . 1 . . . . . . . . 5844 1
463 . 1 1 39 39 PRO CG C 13 27.862 0.1 . 1 . . . . . . . . 5844 1
464 . 1 1 39 39 PRO CD C 13 50.001 0.1 . 1 . . . . . . . . 5844 1
465 . 1 1 40 40 ALA H H 1 8.729 0.02 . 1 . . . . . . . . 5844 1
466 . 1 1 40 40 ALA HA H 1 3.972 0.02 . 1 . . . . . . . . 5844 1
467 . 1 1 40 40 ALA HB1 H 1 1.426 0.02 . 1 . . . . . . . . 5844 1
468 . 1 1 40 40 ALA HB2 H 1 1.426 0.02 . 1 . . . . . . . . 5844 1
469 . 1 1 40 40 ALA HB3 H 1 1.426 0.02 . 1 . . . . . . . . 5844 1
470 . 1 1 40 40 ALA C C 13 179.843 0.1 . 1 . . . . . . . . 5844 1
471 . 1 1 40 40 ALA CA C 13 56.013 0.1 . 1 . . . . . . . . 5844 1
472 . 1 1 40 40 ALA CB C 13 17.680 0.1 . 1 . . . . . . . . 5844 1
473 . 1 1 40 40 ALA N N 15 127.083 0.1 . 1 . . . . . . . . 5844 1
474 . 1 1 41 41 PHE H H 1 8.059 0.02 . 1 . . . . . . . . 5844 1
475 . 1 1 41 41 PHE HA H 1 4.129 0.02 . 1 . . . . . . . . 5844 1
476 . 1 1 41 41 PHE HB2 H 1 2.491 0.02 . 2 . . . . . . . . 5844 1
477 . 1 1 41 41 PHE HB3 H 1 2.847 0.02 . 2 . . . . . . . . 5844 1
478 . 1 1 41 41 PHE HD1 H 1 7.092 0.02 . 1 . . . . . . . . 5844 1
479 . 1 1 41 41 PHE HD2 H 1 7.092 0.02 . 1 . . . . . . . . 5844 1
480 . 1 1 41 41 PHE HE1 H 1 6.749 0.02 . 1 . . . . . . . . 5844 1
481 . 1 1 41 41 PHE HE2 H 1 6.749 0.02 . 1 . . . . . . . . 5844 1
482 . 1 1 41 41 PHE HZ H 1 7.108 0.02 . 1 . . . . . . . . 5844 1
483 . 1 1 41 41 PHE C C 13 175.662 0.1 . 1 . . . . . . . . 5844 1
484 . 1 1 41 41 PHE CA C 13 59.819 0.1 . 1 . . . . . . . . 5844 1
485 . 1 1 41 41 PHE CB C 13 36.834 0.1 . 1 . . . . . . . . 5844 1
486 . 1 1 41 41 PHE CD1 C 13 132.191 0.1 . 1 . . . . . . . . 5844 1
487 . 1 1 41 41 PHE CD2 C 13 132.191 0.1 . 1 . . . . . . . . 5844 1
488 . 1 1 41 41 PHE CE1 C 13 128.727 0.1 . 1 . . . . . . . . 5844 1
489 . 1 1 41 41 PHE CE2 C 13 128.727 0.1 . 1 . . . . . . . . 5844 1
490 . 1 1 41 41 PHE CZ C 13 131.398 0.1 . 1 . . . . . . . . 5844 1
491 . 1 1 41 41 PHE N N 15 112.471 0.1 . 1 . . . . . . . . 5844 1
492 . 1 1 42 42 ILE H H 1 5.614 0.02 . 1 . . . . . . . . 5844 1
493 . 1 1 42 42 ILE HA H 1 3.098 0.02 . 1 . . . . . . . . 5844 1
494 . 1 1 42 42 ILE HB H 1 1.563 0.02 . 1 . . . . . . . . 5844 1
495 . 1 1 42 42 ILE HG12 H 1 0.310 0.02 . 2 . . . . . . . . 5844 1
496 . 1 1 42 42 ILE HG13 H 1 -0.078 0.02 . 2 . . . . . . . . 5844 1
497 . 1 1 42 42 ILE HG21 H 1 -0.131 0.02 . 1 . . . . . . . . 5844 1
498 . 1 1 42 42 ILE HG22 H 1 -0.131 0.02 . 1 . . . . . . . . 5844 1
499 . 1 1 42 42 ILE HG23 H 1 -0.131 0.02 . 1 . . . . . . . . 5844 1
500 . 1 1 42 42 ILE HD11 H 1 0.166 0.02 . 1 . . . . . . . . 5844 1
501 . 1 1 42 42 ILE HD12 H 1 0.166 0.02 . 1 . . . . . . . . 5844 1
502 . 1 1 42 42 ILE HD13 H 1 0.166 0.02 . 1 . . . . . . . . 5844 1
503 . 1 1 42 42 ILE C C 13 177.110 0.1 . 1 . . . . . . . . 5844 1
504 . 1 1 42 42 ILE CA C 13 59.822 0.1 . 1 . . . . . . . . 5844 1
505 . 1 1 42 42 ILE CB C 13 34.539 0.1 . 1 . . . . . . . . 5844 1
506 . 1 1 42 42 ILE CG1 C 13 24.886 0.1 . 1 . . . . . . . . 5844 1
507 . 1 1 42 42 ILE CG2 C 13 16.343 0.1 . 1 . . . . . . . . 5844 1
508 . 1 1 42 42 ILE CD1 C 13 9.941 0.1 . 1 . . . . . . . . 5844 1
509 . 1 1 42 42 ILE N N 15 120.594 0.1 . 1 . . . . . . . . 5844 1
510 . 1 1 43 43 ASN H H 1 7.082 0.02 . 1 . . . . . . . . 5844 1
511 . 1 1 43 43 ASN HA H 1 4.223 0.02 . 1 . . . . . . . . 5844 1
512 . 1 1 43 43 ASN HB2 H 1 2.484 0.02 . 2 . . . . . . . . 5844 1
513 . 1 1 43 43 ASN HB3 H 1 2.761 0.02 . 2 . . . . . . . . 5844 1
514 . 1 1 43 43 ASN HD21 H 1 7.386 0.02 . 1 . . . . . . . . 5844 1
515 . 1 1 43 43 ASN HD22 H 1 6.898 0.02 . 1 . . . . . . . . 5844 1
516 . 1 1 43 43 ASN C C 13 176.972 0.1 . 1 . . . . . . . . 5844 1
517 . 1 1 43 43 ASN CA C 13 55.562 0.1 . 1 . . . . . . . . 5844 1
518 . 1 1 43 43 ASN CB C 13 37.808 0.1 . 1 . . . . . . . . 5844 1
519 . 1 1 43 43 ASN N N 15 117.481 0.1 . 1 . . . . . . . . 5844 1
520 . 1 1 43 43 ASN ND2 N 15 114.020 0.1 . 1 . . . . . . . . 5844 1
521 . 1 1 44 44 ASP H H 1 8.379 0.02 . 1 . . . . . . . . 5844 1
522 . 1 1 44 44 ASP HA H 1 4.247 0.02 . 1 . . . . . . . . 5844 1
523 . 1 1 44 44 ASP HB2 H 1 2.500 0.02 . 2 . . . . . . . . 5844 1
524 . 1 1 44 44 ASP HB3 H 1 2.567 0.02 . 2 . . . . . . . . 5844 1
525 . 1 1 44 44 ASP C C 13 179.368 0.1 . 1 . . . . . . . . 5844 1
526 . 1 1 44 44 ASP CA C 13 57.538 0.1 . 1 . . . . . . . . 5844 1
527 . 1 1 44 44 ASP CB C 13 40.670 0.1 . 1 . . . . . . . . 5844 1
528 . 1 1 44 44 ASP N N 15 117.588 0.1 . 1 . . . . . . . . 5844 1
529 . 1 1 45 45 ILE H H 1 7.604 0.02 . 1 . . . . . . . . 5844 1
530 . 1 1 45 45 ILE HA H 1 3.687 0.02 . 1 . . . . . . . . 5844 1
531 . 1 1 45 45 ILE HB H 1 1.872 0.02 . 1 . . . . . . . . 5844 1
532 . 1 1 45 45 ILE HG12 H 1 2.358 0.02 . 2 . . . . . . . . 5844 1
533 . 1 1 45 45 ILE HG13 H 1 0.845 0.02 . 2 . . . . . . . . 5844 1
534 . 1 1 45 45 ILE HG21 H 1 0.974 0.02 . 1 . . . . . . . . 5844 1
535 . 1 1 45 45 ILE HG22 H 1 0.974 0.02 . 1 . . . . . . . . 5844 1
536 . 1 1 45 45 ILE HG23 H 1 0.974 0.02 . 1 . . . . . . . . 5844 1
537 . 1 1 45 45 ILE HD11 H 1 0.941 0.02 . 1 . . . . . . . . 5844 1
538 . 1 1 45 45 ILE HD12 H 1 0.941 0.02 . 1 . . . . . . . . 5844 1
539 . 1 1 45 45 ILE HD13 H 1 0.941 0.02 . 1 . . . . . . . . 5844 1
540 . 1 1 45 45 ILE C C 13 177.480 0.1 . 1 . . . . . . . . 5844 1
541 . 1 1 45 45 ILE CA C 13 65.907 0.1 . 1 . . . . . . . . 5844 1
542 . 1 1 45 45 ILE CB C 13 37.886 0.1 . 1 . . . . . . . . 5844 1
543 . 1 1 45 45 ILE CG1 C 13 30.284 0.1 . 1 . . . . . . . . 5844 1
544 . 1 1 45 45 ILE CG2 C 13 19.491 0.1 . 1 . . . . . . . . 5844 1
545 . 1 1 45 45 ILE CD1 C 13 14.733 0.1 . 1 . . . . . . . . 5844 1
546 . 1 1 45 45 ILE N N 15 121.473 0.1 . 1 . . . . . . . . 5844 1
547 . 1 1 46 46 LEU H H 1 7.863 0.02 . 1 . . . . . . . . 5844 1
548 . 1 1 46 46 LEU HA H 1 3.833 0.02 . 1 . . . . . . . . 5844 1
549 . 1 1 46 46 LEU HB2 H 1 1.838 0.02 . 2 . . . . . . . . 5844 1
550 . 1 1 46 46 LEU HB3 H 1 1.215 0.02 . 2 . . . . . . . . 5844 1
551 . 1 1 46 46 LEU HG H 1 1.632 0.02 . 1 . . . . . . . . 5844 1
552 . 1 1 46 46 LEU HD11 H 1 0.454 0.02 . 1 . . . . . . . . 5844 1
553 . 1 1 46 46 LEU HD12 H 1 0.454 0.02 . 1 . . . . . . . . 5844 1
554 . 1 1 46 46 LEU HD13 H 1 0.454 0.02 . 1 . . . . . . . . 5844 1
555 . 1 1 46 46 LEU HD21 H 1 0.550 0.02 . 1 . . . . . . . . 5844 1
556 . 1 1 46 46 LEU HD22 H 1 0.550 0.02 . 1 . . . . . . . . 5844 1
557 . 1 1 46 46 LEU HD23 H 1 0.550 0.02 . 1 . . . . . . . . 5844 1
558 . 1 1 46 46 LEU C C 13 178.165 0.1 . 1 . . . . . . . . 5844 1
559 . 1 1 46 46 LEU CA C 13 57.080 0.1 . 1 . . . . . . . . 5844 1
560 . 1 1 46 46 LEU CB C 13 41.967 0.1 . 1 . . . . . . . . 5844 1
561 . 1 1 46 46 LEU CG C 13 26.699 0.1 . 1 . . . . . . . . 5844 1
562 . 1 1 46 46 LEU CD1 C 13 27.035 0.1 . 1 . . . . . . . . 5844 1
563 . 1 1 46 46 LEU CD2 C 13 22.131 0.1 . 1 . . . . . . . . 5844 1
564 . 1 1 46 46 LEU N N 15 118.055 0.1 . 1 . . . . . . . . 5844 1
565 . 1 1 47 47 LYS H H 1 7.161 0.02 . 1 . . . . . . . . 5844 1
566 . 1 1 47 47 LYS HA H 1 4.044 0.02 . 1 . . . . . . . . 5844 1
567 . 1 1 47 47 LYS HB2 H 1 1.987 0.02 . 2 . . . . . . . . 5844 1
568 . 1 1 47 47 LYS HB3 H 1 1.732 0.02 . 2 . . . . . . . . 5844 1
569 . 1 1 47 47 LYS HG2 H 1 1.725 0.02 . 2 . . . . . . . . 5844 1
570 . 1 1 47 47 LYS HG3 H 1 1.357 0.02 . 2 . . . . . . . . 5844 1
571 . 1 1 47 47 LYS HD2 H 1 1.581 0.02 . 2 . . . . . . . . 5844 1
572 . 1 1 47 47 LYS HD3 H 1 1.709 0.02 . 2 . . . . . . . . 5844 1
573 . 1 1 47 47 LYS HE2 H 1 2.803 0.02 . 2 . . . . . . . . 5844 1
574 . 1 1 47 47 LYS HE3 H 1 2.792 0.02 . 2 . . . . . . . . 5844 1
575 . 1 1 47 47 LYS C C 13 177.017 0.1 . 1 . . . . . . . . 5844 1
576 . 1 1 47 47 LYS CA C 13 57.174 0.1 . 1 . . . . . . . . 5844 1
577 . 1 1 47 47 LYS CB C 13 33.031 0.1 . 1 . . . . . . . . 5844 1
578 . 1 1 47 47 LYS CG C 13 25.683 0.1 . 1 . . . . . . . . 5844 1
579 . 1 1 47 47 LYS CD C 13 29.714 0.1 . 1 . . . . . . . . 5844 1
580 . 1 1 47 47 LYS CE C 13 42.290 0.1 . 1 . . . . . . . . 5844 1
581 . 1 1 47 47 LYS N N 15 116.384 0.1 . 1 . . . . . . . . 5844 1
582 . 1 1 48 48 VAL H H 1 7.791 0.02 . 1 . . . . . . . . 5844 1
583 . 1 1 48 48 VAL HA H 1 3.626 0.02 . 1 . . . . . . . . 5844 1
584 . 1 1 48 48 VAL HB H 1 2.524 0.02 . 1 . . . . . . . . 5844 1
585 . 1 1 48 48 VAL HG11 H 1 1.011 0.02 . 1 . . . . . . . . 5844 1
586 . 1 1 48 48 VAL HG12 H 1 1.011 0.02 . 1 . . . . . . . . 5844 1
587 . 1 1 48 48 VAL HG13 H 1 1.011 0.02 . 1 . . . . . . . . 5844 1
588 . 1 1 48 48 VAL HG21 H 1 0.994 0.02 . 1 . . . . . . . . 5844 1
589 . 1 1 48 48 VAL HG22 H 1 0.994 0.02 . 1 . . . . . . . . 5844 1
590 . 1 1 48 48 VAL HG23 H 1 0.994 0.02 . 1 . . . . . . . . 5844 1
591 . 1 1 48 48 VAL C C 13 176.014 0.1 . 1 . . . . . . . . 5844 1
592 . 1 1 48 48 VAL CA C 13 63.747 0.1 . 1 . . . . . . . . 5844 1
593 . 1 1 48 48 VAL CB C 13 30.987 0.1 . 1 . . . . . . . . 5844 1
594 . 1 1 48 48 VAL CG1 C 13 22.915 0.1 . 1 . . . . . . . . 5844 1
595 . 1 1 48 48 VAL CG2 C 13 22.383 0.1 . 1 . . . . . . . . 5844 1
596 . 1 1 48 48 VAL N N 15 124.655 0.1 . 1 . . . . . . . . 5844 1
597 . 1 1 49 49 GLU H H 1 8.569 0.02 . 1 . . . . . . . . 5844 1
598 . 1 1 49 49 GLU HA H 1 3.941 0.02 . 1 . . . . . . . . 5844 1
599 . 1 1 49 49 GLU HB2 H 1 1.996 0.02 . 2 . . . . . . . . 5844 1
600 . 1 1 49 49 GLU HB3 H 1 1.911 0.02 . 2 . . . . . . . . 5844 1
601 . 1 1 49 49 GLU HG2 H 1 2.253 0.02 . 1 . . . . . . . . 5844 1
602 . 1 1 49 49 GLU HG3 H 1 2.253 0.02 . 1 . . . . . . . . 5844 1
603 . 1 1 49 49 GLU C C 13 176.461 0.1 . 1 . . . . . . . . 5844 1
604 . 1 1 49 49 GLU CA C 13 58.393 0.1 . 1 . . . . . . . . 5844 1
605 . 1 1 49 49 GLU CB C 13 29.169 0.1 . 1 . . . . . . . . 5844 1
606 . 1 1 49 49 GLU CG C 13 36.101 0.1 . 1 . . . . . . . . 5844 1
607 . 1 1 49 49 GLU N N 15 130.358 0.1 . 1 . . . . . . . . 5844 1
608 . 1 1 50 50 GLY H H 1 8.768 0.02 . 1 . . . . . . . . 5844 1
609 . 1 1 50 50 GLY HA2 H 1 4.185 0.02 . 2 . . . . . . . . 5844 1
610 . 1 1 50 50 GLY HA3 H 1 3.384 0.02 . 2 . . . . . . . . 5844 1
611 . 1 1 50 50 GLY C C 13 173.991 0.1 . 1 . . . . . . . . 5844 1
612 . 1 1 50 50 GLY CA C 13 44.705 0.1 . 1 . . . . . . . . 5844 1
613 . 1 1 50 50 GLY N N 15 114.068 0.1 . 1 . . . . . . . . 5844 1
614 . 1 1 51 51 VAL H H 1 7.751 0.02 . 1 . . . . . . . . 5844 1
615 . 1 1 51 51 VAL HA H 1 3.768 0.02 . 1 . . . . . . . . 5844 1
616 . 1 1 51 51 VAL HB H 1 2.306 0.02 . 1 . . . . . . . . 5844 1
617 . 1 1 51 51 VAL HG11 H 1 0.806 0.02 . 1 . . . . . . . . 5844 1
618 . 1 1 51 51 VAL HG12 H 1 0.806 0.02 . 1 . . . . . . . . 5844 1
619 . 1 1 51 51 VAL HG13 H 1 0.806 0.02 . 1 . . . . . . . . 5844 1
620 . 1 1 51 51 VAL HG21 H 1 0.754 0.02 . 1 . . . . . . . . 5844 1
621 . 1 1 51 51 VAL HG22 H 1 0.754 0.02 . 1 . . . . . . . . 5844 1
622 . 1 1 51 51 VAL HG23 H 1 0.754 0.02 . 1 . . . . . . . . 5844 1
623 . 1 1 51 51 VAL C C 13 175.262 0.1 . 1 . . . . . . . . 5844 1
624 . 1 1 51 51 VAL CA C 13 64.610 0.1 . 1 . . . . . . . . 5844 1
625 . 1 1 51 51 VAL CB C 13 31.534 0.1 . 1 . . . . . . . . 5844 1
626 . 1 1 51 51 VAL CG1 C 13 21.719 0.1 . 1 . . . . . . . . 5844 1
627 . 1 1 51 51 VAL CG2 C 13 22.636 0.1 . 1 . . . . . . . . 5844 1
628 . 1 1 51 51 VAL N N 15 120.498 0.1 . 1 . . . . . . . . 5844 1
629 . 1 1 52 52 LYS H H 1 9.379 0.02 . 1 . . . . . . . . 5844 1
630 . 1 1 52 52 LYS HA H 1 4.481 0.02 . 1 . . . . . . . . 5844 1
631 . 1 1 52 52 LYS HB2 H 1 1.512 0.02 . 2 . . . . . . . . 5844 1
632 . 1 1 52 52 LYS HB3 H 1 1.341 0.02 . 2 . . . . . . . . 5844 1
633 . 1 1 52 52 LYS HG2 H 1 1.434 0.02 . 2 . . . . . . . . 5844 1
634 . 1 1 52 52 LYS HG3 H 1 1.238 0.02 . 2 . . . . . . . . 5844 1
635 . 1 1 52 52 LYS HD2 H 1 1.666 0.02 . 2 . . . . . . . . 5844 1
636 . 1 1 52 52 LYS HE2 H 1 2.993 0.02 . 2 . . . . . . . . 5844 1
637 . 1 1 52 52 LYS C C 13 175.385 0.1 . 1 . . . . . . . . 5844 1
638 . 1 1 52 52 LYS CA C 13 57.163 0.1 . 1 . . . . . . . . 5844 1
639 . 1 1 52 52 LYS CB C 13 35.786 0.1 . 1 . . . . . . . . 5844 1
640 . 1 1 52 52 LYS CG C 13 24.515 0.1 . 1 . . . . . . . . 5844 1
641 . 1 1 52 52 LYS CD C 13 29.438 0.1 . 1 . . . . . . . . 5844 1
642 . 1 1 52 52 LYS CE C 13 41.825 0.1 . 1 . . . . . . . . 5844 1
643 . 1 1 52 52 LYS N N 15 129.475 0.1 . 1 . . . . . . . . 5844 1
644 . 1 1 53 53 SER H H 1 7.655 0.02 . 1 . . . . . . . . 5844 1
645 . 1 1 53 53 SER HA H 1 4.903 0.02 . 1 . . . . . . . . 5844 1
646 . 1 1 53 53 SER HB2 H 1 3.881 0.02 . 2 . . . . . . . . 5844 1
647 . 1 1 53 53 SER HB3 H 1 3.767 0.02 . 2 . . . . . . . . 5844 1
648 . 1 1 53 53 SER C C 13 172.396 0.1 . 1 . . . . . . . . 5844 1
649 . 1 1 53 53 SER CA C 13 57.730 0.1 . 1 . . . . . . . . 5844 1
650 . 1 1 53 53 SER CB C 13 64.653 0.1 . 1 . . . . . . . . 5844 1
651 . 1 1 53 53 SER N N 15 108.885 0.1 . 1 . . . . . . . . 5844 1
652 . 1 1 54 54 ILE H H 1 8.783 0.02 . 1 . . . . . . . . 5844 1
653 . 1 1 54 54 ILE HA H 1 5.054 0.02 . 1 . . . . . . . . 5844 1
654 . 1 1 54 54 ILE HB H 1 1.846 0.02 . 1 . . . . . . . . 5844 1
655 . 1 1 54 54 ILE HG12 H 1 1.660 0.02 . 2 . . . . . . . . 5844 1
656 . 1 1 54 54 ILE HG13 H 1 1.062 0.02 . 2 . . . . . . . . 5844 1
657 . 1 1 54 54 ILE HG21 H 1 1.021 0.02 . 1 . . . . . . . . 5844 1
658 . 1 1 54 54 ILE HG22 H 1 1.021 0.02 . 1 . . . . . . . . 5844 1
659 . 1 1 54 54 ILE HG23 H 1 1.021 0.02 . 1 . . . . . . . . 5844 1
660 . 1 1 54 54 ILE HD11 H 1 0.886 0.02 . 1 . . . . . . . . 5844 1
661 . 1 1 54 54 ILE HD12 H 1 0.886 0.02 . 1 . . . . . . . . 5844 1
662 . 1 1 54 54 ILE HD13 H 1 0.886 0.02 . 1 . . . . . . . . 5844 1
663 . 1 1 54 54 ILE C C 13 173.244 0.1 . 1 . . . . . . . . 5844 1
664 . 1 1 54 54 ILE CA C 13 60.602 0.1 . 1 . . . . . . . . 5844 1
665 . 1 1 54 54 ILE CB C 13 44.277 0.1 . 1 . . . . . . . . 5844 1
666 . 1 1 54 54 ILE CG1 C 13 27.818 0.1 . 1 . . . . . . . . 5844 1
667 . 1 1 54 54 ILE CG2 C 13 18.616 0.1 . 1 . . . . . . . . 5844 1
668 . 1 1 54 54 ILE CD1 C 13 18.297 0.1 . 1 . . . . . . . . 5844 1
669 . 1 1 54 54 ILE N N 15 119.458 0.1 . 1 . . . . . . . . 5844 1
670 . 1 1 55 55 PHE H H 1 9.142 0.02 . 1 . . . . . . . . 5844 1
671 . 1 1 55 55 PHE HA H 1 5.598 0.02 . 1 . . . . . . . . 5844 1
672 . 1 1 55 55 PHE HB2 H 1 3.256 0.02 . 2 . . . . . . . . 5844 1
673 . 1 1 55 55 PHE HB3 H 1 3.159 0.02 . 2 . . . . . . . . 5844 1
674 . 1 1 55 55 PHE HD1 H 1 7.333 0.02 . 1 . . . . . . . . 5844 1
675 . 1 1 55 55 PHE HD2 H 1 7.333 0.02 . 1 . . . . . . . . 5844 1
676 . 1 1 55 55 PHE HE1 H 1 7.264 0.02 . 1 . . . . . . . . 5844 1
677 . 1 1 55 55 PHE HE2 H 1 7.264 0.02 . 1 . . . . . . . . 5844 1
678 . 1 1 55 55 PHE HZ H 1 6.775 0.02 . 1 . . . . . . . . 5844 1
679 . 1 1 55 55 PHE C C 13 173.761 0.1 . 1 . . . . . . . . 5844 1
680 . 1 1 55 55 PHE CA C 13 55.938 0.1 . 1 . . . . . . . . 5844 1
681 . 1 1 55 55 PHE CB C 13 41.641 0.1 . 1 . . . . . . . . 5844 1
682 . 1 1 55 55 PHE CD1 C 13 131.916 0.1 . 1 . . . . . . . . 5844 1
683 . 1 1 55 55 PHE CD2 C 13 131.916 0.1 . 1 . . . . . . . . 5844 1
684 . 1 1 55 55 PHE CE1 C 13 131.172 0.1 . 1 . . . . . . . . 5844 1
685 . 1 1 55 55 PHE CE2 C 13 131.172 0.1 . 1 . . . . . . . . 5844 1
686 . 1 1 55 55 PHE CZ C 13 130.724 0.1 . 1 . . . . . . . . 5844 1
687 . 1 1 55 55 PHE N N 15 129.664 0.1 . 1 . . . . . . . . 5844 1
688 . 1 1 56 56 HIS H H 1 8.824 0.02 . 1 . . . . . . . . 5844 1
689 . 1 1 56 56 HIS HA H 1 5.531 0.02 . 1 . . . . . . . . 5844 1
690 . 1 1 56 56 HIS HB2 H 1 3.239 0.02 . 2 . . . . . . . . 5844 1
691 . 1 1 56 56 HIS HB3 H 1 2.670 0.02 . 2 . . . . . . . . 5844 1
692 . 1 1 56 56 HIS HD2 H 1 7.256 0.02 . 1 . . . . . . . . 5844 1
693 . 1 1 56 56 HIS C C 13 172.379 0.1 . 1 . . . . . . . . 5844 1
694 . 1 1 56 56 HIS CA C 13 52.836 0.1 . 1 . . . . . . . . 5844 1
695 . 1 1 56 56 HIS CB C 13 37.218 0.1 . 1 . . . . . . . . 5844 1
696 . 1 1 56 56 HIS CD2 C 13 118.543 0.1 . 1 . . . . . . . . 5844 1
697 . 1 1 56 56 HIS N N 15 129.160 0.1 . 1 . . . . . . . . 5844 1
698 . 1 1 57 57 VAL H H 1 8.072 0.02 . 1 . . . . . . . . 5844 1
699 . 1 1 57 57 VAL HA H 1 3.774 0.02 . 1 . . . . . . . . 5844 1
700 . 1 1 57 57 VAL HB H 1 1.217 0.02 . 1 . . . . . . . . 5844 1
701 . 1 1 57 57 VAL HG11 H 1 0.278 0.02 . 1 . . . . . . . . 5844 1
702 . 1 1 57 57 VAL HG12 H 1 0.278 0.02 . 1 . . . . . . . . 5844 1
703 . 1 1 57 57 VAL HG13 H 1 0.278 0.02 . 1 . . . . . . . . 5844 1
704 . 1 1 57 57 VAL HG21 H 1 0.787 0.02 . 1 . . . . . . . . 5844 1
705 . 1 1 57 57 VAL HG22 H 1 0.787 0.02 . 1 . . . . . . . . 5844 1
706 . 1 1 57 57 VAL HG23 H 1 0.787 0.02 . 1 . . . . . . . . 5844 1
707 . 1 1 57 57 VAL C C 13 169.848 0.1 . 1 . . . . . . . . 5844 1
708 . 1 1 57 57 VAL CA C 13 60.176 0.1 . 1 . . . . . . . . 5844 1
709 . 1 1 57 57 VAL CB C 13 34.140 0.1 . 1 . . . . . . . . 5844 1
710 . 1 1 57 57 VAL CG1 C 13 21.368 0.1 . 1 . . . . . . . . 5844 1
711 . 1 1 57 57 VAL CG2 C 13 22.132 0.1 . 1 . . . . . . . . 5844 1
712 . 1 1 57 57 VAL N N 15 127.671 0.1 . 1 . . . . . . . . 5844 1
713 . 1 1 58 58 MET H H 1 9.140 0.02 . 1 . . . . . . . . 5844 1
714 . 1 1 58 58 MET HA H 1 3.804 0.02 . 1 . . . . . . . . 5844 1
715 . 1 1 58 58 MET HB2 H 1 2.136 0.02 . 2 . . . . . . . . 5844 1
716 . 1 1 58 58 MET HB3 H 1 2.212 0.02 . 2 . . . . . . . . 5844 1
717 . 1 1 58 58 MET HG2 H 1 2.666 0.02 . 2 . . . . . . . . 5844 1
718 . 1 1 58 58 MET HG3 H 1 2.668 0.02 . 2 . . . . . . . . 5844 1
719 . 1 1 58 58 MET C C 13 175.156 0.1 . 1 . . . . . . . . 5844 1
720 . 1 1 58 58 MET CA C 13 57.730 0.1 . 1 . . . . . . . . 5844 1
721 . 1 1 58 58 MET CB C 13 31.555 0.1 . 1 . . . . . . . . 5844 1
722 . 1 1 58 58 MET CG C 13 32.834 0.1 . 1 . . . . . . . . 5844 1
723 . 1 1 58 58 MET N N 15 119.988 0.1 . 1 . . . . . . . . 5844 1
724 . 1 1 59 59 ASP H H 1 8.751 0.02 . 1 . . . . . . . . 5844 1
725 . 1 1 59 59 ASP HA H 1 4.938 0.02 . 1 . . . . . . . . 5844 1
726 . 1 1 59 59 ASP HB2 H 1 2.431 0.02 . 2 . . . . . . . . 5844 1
727 . 1 1 59 59 ASP HB3 H 1 3.354 0.02 . 2 . . . . . . . . 5844 1
728 . 1 1 59 59 ASP C C 13 174.038 0.1 . 1 . . . . . . . . 5844 1
729 . 1 1 59 59 ASP CA C 13 52.397 0.1 . 1 . . . . . . . . 5844 1
730 . 1 1 59 59 ASP CB C 13 39.908 0.1 . 1 . . . . . . . . 5844 1
731 . 1 1 59 59 ASP N N 15 122.637 0.1 . 1 . . . . . . . . 5844 1
732 . 1 1 60 60 PHE H H 1 8.971 0.02 . 1 . . . . . . . . 5844 1
733 . 1 1 60 60 PHE HA H 1 5.885 0.02 . 1 . . . . . . . . 5844 1
734 . 1 1 60 60 PHE HB2 H 1 2.981 0.02 . 2 . . . . . . . . 5844 1
735 . 1 1 60 60 PHE HB3 H 1 2.938 0.02 . 2 . . . . . . . . 5844 1
736 . 1 1 60 60 PHE HD1 H 1 7.217 0.02 . 1 . . . . . . . . 5844 1
737 . 1 1 60 60 PHE HD2 H 1 7.217 0.02 . 1 . . . . . . . . 5844 1
738 . 1 1 60 60 PHE HE1 H 1 7.320 0.02 . 1 . . . . . . . . 5844 1
739 . 1 1 60 60 PHE HE2 H 1 7.320 0.02 . 1 . . . . . . . . 5844 1
740 . 1 1 60 60 PHE HZ H 1 7.181 0.02 . 2 . . . . . . . . 5844 1
741 . 1 1 60 60 PHE C C 13 173.686 0.1 . 1 . . . . . . . . 5844 1
742 . 1 1 60 60 PHE CA C 13 56.469 0.1 . 1 . . . . . . . . 5844 1
743 . 1 1 60 60 PHE CB C 13 42.851 0.1 . 1 . . . . . . . . 5844 1
744 . 1 1 60 60 PHE CD1 C 13 133.198 0.1 . 1 . . . . . . . . 5844 1
745 . 1 1 60 60 PHE CD2 C 13 133.198 0.1 . 1 . . . . . . . . 5844 1
746 . 1 1 60 60 PHE CE1 C 13 130.678 0.1 . 1 . . . . . . . . 5844 1
747 . 1 1 60 60 PHE CE2 C 13 130.678 0.1 . 1 . . . . . . . . 5844 1
748 . 1 1 60 60 PHE CZ C 13 129.380 0.1 . 1 . . . . . . . . 5844 1
749 . 1 1 60 60 PHE N N 15 115.459 0.1 . 1 . . . . . . . . 5844 1
750 . 1 1 61 61 ILE H H 1 8.965 0.02 . 1 . . . . . . . . 5844 1
751 . 1 1 61 61 ILE HA H 1 5.780 0.02 . 1 . . . . . . . . 5844 1
752 . 1 1 61 61 ILE HB H 1 1.766 0.02 . 1 . . . . . . . . 5844 1
753 . 1 1 61 61 ILE HG12 H 1 2.033 0.02 . 2 . . . . . . . . 5844 1
754 . 1 1 61 61 ILE HG13 H 1 1.270 0.02 . 2 . . . . . . . . 5844 1
755 . 1 1 61 61 ILE HG21 H 1 0.792 0.02 . 1 . . . . . . . . 5844 1
756 . 1 1 61 61 ILE HG22 H 1 0.792 0.02 . 1 . . . . . . . . 5844 1
757 . 1 1 61 61 ILE HG23 H 1 0.792 0.02 . 1 . . . . . . . . 5844 1
758 . 1 1 61 61 ILE HD11 H 1 0.923 0.02 . 1 . . . . . . . . 5844 1
759 . 1 1 61 61 ILE HD12 H 1 0.923 0.02 . 1 . . . . . . . . 5844 1
760 . 1 1 61 61 ILE HD13 H 1 0.923 0.02 . 1 . . . . . . . . 5844 1
761 . 1 1 61 61 ILE C C 13 175.675 0.1 . 1 . . . . . . . . 5844 1
762 . 1 1 61 61 ILE CA C 13 58.280 0.1 . 1 . . . . . . . . 5844 1
763 . 1 1 61 61 ILE CB C 13 41.093 0.1 . 1 . . . . . . . . 5844 1
764 . 1 1 61 61 ILE CG1 C 13 25.725 0.1 . 1 . . . . . . . . 5844 1
765 . 1 1 61 61 ILE CG2 C 13 18.323 0.1 . 1 . . . . . . . . 5844 1
766 . 1 1 61 61 ILE CD1 C 13 14.183 0.1 . 1 . . . . . . . . 5844 1
767 . 1 1 61 61 ILE N N 15 109.286 0.1 . 1 . . . . . . . . 5844 1
768 . 1 1 62 62 SER H H 1 9.952 0.02 . 1 . . . . . . . . 5844 1
769 . 1 1 62 62 SER HA H 1 5.645 0.02 . 1 . . . . . . . . 5844 1
770 . 1 1 62 62 SER HB2 H 1 4.036 0.02 . 1 . . . . . . . . 5844 1
771 . 1 1 62 62 SER HB3 H 1 4.036 0.02 . 1 . . . . . . . . 5844 1
772 . 1 1 62 62 SER C C 13 175.117 0.1 . 1 . . . . . . . . 5844 1
773 . 1 1 62 62 SER CA C 13 56.894 0.1 . 1 . . . . . . . . 5844 1
774 . 1 1 62 62 SER CB C 13 64.262 0.1 . 1 . . . . . . . . 5844 1
775 . 1 1 62 62 SER N N 15 121.046 0.1 . 1 . . . . . . . . 5844 1
776 . 1 1 63 63 VAL H H 1 9.529 0.02 . 1 . . . . . . . . 5844 1
777 . 1 1 63 63 VAL HA H 1 4.699 0.02 . 1 . . . . . . . . 5844 1
778 . 1 1 63 63 VAL HB H 1 2.243 0.02 . 1 . . . . . . . . 5844 1
779 . 1 1 63 63 VAL HG11 H 1 1.170 0.02 . 1 . . . . . . . . 5844 1
780 . 1 1 63 63 VAL HG12 H 1 1.170 0.02 . 1 . . . . . . . . 5844 1
781 . 1 1 63 63 VAL HG13 H 1 1.170 0.02 . 1 . . . . . . . . 5844 1
782 . 1 1 63 63 VAL HG21 H 1 1.139 0.02 . 1 . . . . . . . . 5844 1
783 . 1 1 63 63 VAL HG22 H 1 1.139 0.02 . 1 . . . . . . . . 5844 1
784 . 1 1 63 63 VAL HG23 H 1 1.139 0.02 . 1 . . . . . . . . 5844 1
785 . 1 1 63 63 VAL C C 13 173.893 0.1 . 1 . . . . . . . . 5844 1
786 . 1 1 63 63 VAL CA C 13 61.707 0.1 . 1 . . . . . . . . 5844 1
787 . 1 1 63 63 VAL CB C 13 34.447 0.1 . 1 . . . . . . . . 5844 1
788 . 1 1 63 63 VAL CG1 C 13 22.012 0.1 . 1 . . . . . . . . 5844 1
789 . 1 1 63 63 VAL CG2 C 13 22.190 0.1 . 1 . . . . . . . . 5844 1
790 . 1 1 63 63 VAL N N 15 129.348 0.1 . 1 . . . . . . . . 5844 1
791 . 1 1 64 64 ASP H H 1 9.093 0.02 . 1 . . . . . . . . 5844 1
792 . 1 1 64 64 ASP HA H 1 6.215 0.02 . 1 . . . . . . . . 5844 1
793 . 1 1 64 64 ASP HB2 H 1 2.429 0.02 . 2 . . . . . . . . 5844 1
794 . 1 1 64 64 ASP HB3 H 1 2.828 0.02 . 2 . . . . . . . . 5844 1
795 . 1 1 64 64 ASP C C 13 176.649 0.1 . 1 . . . . . . . . 5844 1
796 . 1 1 64 64 ASP CA C 13 52.125 0.1 . 1 . . . . . . . . 5844 1
797 . 1 1 64 64 ASP CB C 13 41.773 0.1 . 1 . . . . . . . . 5844 1
798 . 1 1 64 64 ASP N N 15 127.869 0.1 . 1 . . . . . . . . 5844 1
799 . 1 1 65 65 LYS H H 1 9.071 0.02 . 1 . . . . . . . . 5844 1
800 . 1 1 65 65 LYS HA H 1 5.210 0.02 . 1 . . . . . . . . 5844 1
801 . 1 1 65 65 LYS HB2 H 1 1.118 0.02 . 2 . . . . . . . . 5844 1
802 . 1 1 65 65 LYS HB3 H 1 0.449 0.02 . 2 . . . . . . . . 5844 1
803 . 1 1 65 65 LYS HG2 H 1 0.968 0.02 . 2 . . . . . . . . 5844 1
804 . 1 1 65 65 LYS HG3 H 1 0.746 0.02 . 2 . . . . . . . . 5844 1
805 . 1 1 65 65 LYS HD2 H 1 0.173 0.02 . 2 . . . . . . . . 5844 1
806 . 1 1 65 65 LYS HD3 H 1 -1.016 0.02 . 2 . . . . . . . . 5844 1
807 . 1 1 65 65 LYS HE2 H 1 2.639 0.02 . 2 . . . . . . . . 5844 1
808 . 1 1 65 65 LYS HE3 H 1 2.643 0.02 . 2 . . . . . . . . 5844 1
809 . 1 1 65 65 LYS C C 13 175.936 0.1 . 1 . . . . . . . . 5844 1
810 . 1 1 65 65 LYS CA C 13 52.981 0.1 . 1 . . . . . . . . 5844 1
811 . 1 1 65 65 LYS CB C 13 34.777 0.1 . 1 . . . . . . . . 5844 1
812 . 1 1 65 65 LYS CG C 13 22.321 0.1 . 1 . . . . . . . . 5844 1
813 . 1 1 65 65 LYS CD C 13 28.363 0.1 . 1 . . . . . . . . 5844 1
814 . 1 1 65 65 LYS CE C 13 42.792 0.1 . 1 . . . . . . . . 5844 1
815 . 1 1 65 65 LYS N N 15 120.964 0.1 . 1 . . . . . . . . 5844 1
816 . 1 1 66 66 GLU H H 1 8.282 0.02 . 1 . . . . . . . . 5844 1
817 . 1 1 66 66 GLU HA H 1 4.143 0.02 . 1 . . . . . . . . 5844 1
818 . 1 1 66 66 GLU HB2 H 1 2.186 0.02 . 2 . . . . . . . . 5844 1
819 . 1 1 66 66 GLU HB3 H 1 1.609 0.02 . 2 . . . . . . . . 5844 1
820 . 1 1 66 66 GLU HG2 H 1 2.300 0.02 . 2 . . . . . . . . 5844 1
821 . 1 1 66 66 GLU HG3 H 1 2.051 0.02 . 2 . . . . . . . . 5844 1
822 . 1 1 66 66 GLU C C 13 178.756 0.1 . 1 . . . . . . . . 5844 1
823 . 1 1 66 66 GLU CA C 13 55.751 0.1 . 1 . . . . . . . . 5844 1
824 . 1 1 66 66 GLU CB C 13 30.121 0.1 . 1 . . . . . . . . 5844 1
825 . 1 1 66 66 GLU CG C 13 35.198 0.1 . 1 . . . . . . . . 5844 1
826 . 1 1 66 66 GLU N N 15 118.741 0.1 . 1 . . . . . . . . 5844 1
827 . 1 1 67 67 ASN H H 1 9.071 0.02 . 1 . . . . . . . . 5844 1
828 . 1 1 67 67 ASN HA H 1 4.385 0.02 . 1 . . . . . . . . 5844 1
829 . 1 1 67 67 ASN HB2 H 1 2.780 0.02 . 2 . . . . . . . . 5844 1
830 . 1 1 67 67 ASN HB3 H 1 2.778 0.02 . 2 . . . . . . . . 5844 1
831 . 1 1 67 67 ASN HD21 H 1 7.719 0.02 . 1 . . . . . . . . 5844 1
832 . 1 1 67 67 ASN HD22 H 1 6.991 0.02 . 1 . . . . . . . . 5844 1
833 . 1 1 67 67 ASN C C 13 176.421 0.1 . 1 . . . . . . . . 5844 1
834 . 1 1 67 67 ASN CA C 13 56.903 0.1 . 1 . . . . . . . . 5844 1
835 . 1 1 67 67 ASN CB C 13 39.018 0.1 . 1 . . . . . . . . 5844 1
836 . 1 1 67 67 ASN N N 15 122.060 0.1 . 1 . . . . . . . . 5844 1
837 . 1 1 67 67 ASN ND2 N 15 114.356 0.1 . 1 . . . . . . . . 5844 1
838 . 1 1 68 68 ASP H H 1 8.322 0.02 . 1 . . . . . . . . 5844 1
839 . 1 1 68 68 ASP HA H 1 4.527 0.02 . 1 . . . . . . . . 5844 1
840 . 1 1 68 68 ASP HB2 H 1 2.660 0.02 . 2 . . . . . . . . 5844 1
841 . 1 1 68 68 ASP HB3 H 1 2.672 0.02 . 2 . . . . . . . . 5844 1
842 . 1 1 68 68 ASP C C 13 176.143 0.1 . 1 . . . . . . . . 5844 1
843 . 1 1 68 68 ASP CA C 13 53.915 0.1 . 1 . . . . . . . . 5844 1
844 . 1 1 68 68 ASP CB C 13 40.124 0.1 . 1 . . . . . . . . 5844 1
845 . 1 1 68 68 ASP N N 15 112.268 0.1 . 1 . . . . . . . . 5844 1
846 . 1 1 69 69 ALA H H 1 7.131 0.02 . 1 . . . . . . . . 5844 1
847 . 1 1 69 69 ALA HA H 1 4.433 0.02 . 1 . . . . . . . . 5844 1
848 . 1 1 69 69 ALA HB1 H 1 1.282 0.02 . 1 . . . . . . . . 5844 1
849 . 1 1 69 69 ALA HB2 H 1 1.282 0.02 . 1 . . . . . . . . 5844 1
850 . 1 1 69 69 ALA HB3 H 1 1.282 0.02 . 1 . . . . . . . . 5844 1
851 . 1 1 69 69 ALA C C 13 175.954 0.1 . 1 . . . . . . . . 5844 1
852 . 1 1 69 69 ALA CA C 13 51.014 0.1 . 1 . . . . . . . . 5844 1
853 . 1 1 69 69 ALA CB C 13 20.183 0.1 . 1 . . . . . . . . 5844 1
854 . 1 1 69 69 ALA N N 15 122.269 0.1 . 1 . . . . . . . . 5844 1
855 . 1 1 70 70 ASN H H 1 9.052 0.02 . 1 . . . . . . . . 5844 1
856 . 1 1 70 70 ASN HA H 1 5.067 0.02 . 1 . . . . . . . . 5844 1
857 . 1 1 70 70 ASN HB2 H 1 2.861 0.02 . 2 . . . . . . . . 5844 1
858 . 1 1 70 70 ASN HB3 H 1 2.952 0.02 . 2 . . . . . . . . 5844 1
859 . 1 1 70 70 ASN HD21 H 1 7.759 0.02 . 1 . . . . . . . . 5844 1
860 . 1 1 70 70 ASN HD22 H 1 7.019 0.02 . 1 . . . . . . . . 5844 1
861 . 1 1 70 70 ASN C C 13 176.728 0.1 . 1 . . . . . . . . 5844 1
862 . 1 1 70 70 ASN CA C 13 51.256 0.1 . 1 . . . . . . . . 5844 1
863 . 1 1 70 70 ASN CB C 13 41.143 0.1 . 1 . . . . . . . . 5844 1
864 . 1 1 70 70 ASN N N 15 118.796 0.1 . 1 . . . . . . . . 5844 1
865 . 1 1 70 70 ASN ND2 N 15 114.632 0.1 . 1 . . . . . . . . 5844 1
866 . 1 1 71 71 TRP H H 1 9.490 0.02 . 1 . . . . . . . . 5844 1
867 . 1 1 71 71 TRP HA H 1 4.647 0.02 . 1 . . . . . . . . 5844 1
868 . 1 1 71 71 TRP HB2 H 1 3.356 0.02 . 2 . . . . . . . . 5844 1
869 . 1 1 71 71 TRP HB3 H 1 3.273 0.02 . 2 . . . . . . . . 5844 1
870 . 1 1 71 71 TRP HD1 H 1 7.431 0.02 . 1 . . . . . . . . 5844 1
871 . 1 1 71 71 TRP HE1 H 1 9.956 0.02 . 1 . . . . . . . . 5844 1
872 . 1 1 71 71 TRP HZ2 H 1 7.494 0.02 . 1 . . . . . . . . 5844 1
873 . 1 1 71 71 TRP HH2 H 1 7.224 0.02 . 1 . . . . . . . . 5844 1
874 . 1 1 71 71 TRP HZ3 H 1 6.690 0.02 . 1 . . . . . . . . 5844 1
875 . 1 1 71 71 TRP HE3 H 1 7.477 0.02 . 1 . . . . . . . . 5844 1
876 . 1 1 71 71 TRP CZ2 C 13 115.95 0.1 . 1 . . . . . . . . 5844 1
877 . 1 1 71 71 TRP CH2 C 13 125.27 0.1 . 1 . . . . . . . . 5844 1
878 . 1 1 71 71 TRP CZ3 C 13 120.358 0.1 . 1 . . . . . . . . 5844 1
879 . 1 1 71 71 TRP CE3 C 13 120.27 0.1 . 1 . . . . . . . . 5844 1
880 . 1 1 71 71 TRP C C 13 177.891 0.1 . 1 . . . . . . . . 5844 1
881 . 1 1 71 71 TRP CA C 13 60.624 0.1 . 1 . . . . . . . . 5844 1
882 . 1 1 71 71 TRP CB C 13 30.141 0.1 . 1 . . . . . . . . 5844 1
883 . 1 1 71 71 TRP CD1 C 13 128.442 0.1 . 1 . . . . . . . . 5844 1
884 . 1 1 71 71 TRP N N 15 125.989 0.1 . 1 . . . . . . . . 5844 1
885 . 1 1 71 71 TRP NE1 N 15 127.607 0.1 . 1 . . . . . . . . 5844 1
886 . 1 1 72 72 GLU H H 1 9.323 0.02 . 1 . . . . . . . . 5844 1
887 . 1 1 72 72 GLU HA H 1 4.171 0.02 . 1 . . . . . . . . 5844 1
888 . 1 1 72 72 GLU HB2 H 1 2.135 0.02 . 2 . . . . . . . . 5844 1
889 . 1 1 72 72 GLU HB3 H 1 2.058 0.02 . 2 . . . . . . . . 5844 1
890 . 1 1 72 72 GLU HG2 H 1 2.416 0.02 . 1 . . . . . . . . 5844 1
891 . 1 1 72 72 GLU HG3 H 1 2.416 0.02 . 1 . . . . . . . . 5844 1
892 . 1 1 72 72 GLU C C 13 177.775 0.1 . 1 . . . . . . . . 5844 1
893 . 1 1 72 72 GLU CA C 13 59.758 0.1 . 1 . . . . . . . . 5844 1
894 . 1 1 72 72 GLU CB C 13 29.002 0.1 . 1 . . . . . . . . 5844 1
895 . 1 1 72 72 GLU CG C 13 36.943 0.1 . 1 . . . . . . . . 5844 1
896 . 1 1 72 72 GLU N N 15 117.581 0.1 . 1 . . . . . . . . 5844 1
897 . 1 1 73 73 THR H H 1 7.481 0.02 . 1 . . . . . . . . 5844 1
898 . 1 1 73 73 THR HA H 1 4.344 0.02 . 1 . . . . . . . . 5844 1
899 . 1 1 73 73 THR HB H 1 4.352 0.02 . 1 . . . . . . . . 5844 1
900 . 1 1 73 73 THR HG21 H 1 1.274 0.02 . 1 . . . . . . . . 5844 1
901 . 1 1 73 73 THR HG22 H 1 1.274 0.02 . 1 . . . . . . . . 5844 1
902 . 1 1 73 73 THR HG23 H 1 1.274 0.02 . 1 . . . . . . . . 5844 1
903 . 1 1 73 73 THR C C 13 176.175 0.1 . 1 . . . . . . . . 5844 1
904 . 1 1 73 73 THR CA C 13 63.769 0.1 . 1 . . . . . . . . 5844 1
905 . 1 1 73 73 THR CB C 13 69.156 0.1 . 1 . . . . . . . . 5844 1
906 . 1 1 73 73 THR CG2 C 13 22.043 0.1 . 1 . . . . . . . . 5844 1
907 . 1 1 73 73 THR N N 15 111.273 0.1 . 1 . . . . . . . . 5844 1
908 . 1 1 74 74 VAL H H 1 8.012 0.02 . 1 . . . . . . . . 5844 1
909 . 1 1 74 74 VAL HA H 1 3.707 0.02 . 1 . . . . . . . . 5844 1
910 . 1 1 74 74 VAL HB H 1 1.887 0.02 . 1 . . . . . . . . 5844 1
911 . 1 1 74 74 VAL HG11 H 1 0.862 0.02 . 1 . . . . . . . . 5844 1
912 . 1 1 74 74 VAL HG12 H 1 0.862 0.02 . 1 . . . . . . . . 5844 1
913 . 1 1 74 74 VAL HG13 H 1 0.862 0.02 . 1 . . . . . . . . 5844 1
914 . 1 1 74 74 VAL HG21 H 1 0.970 0.02 . 1 . . . . . . . . 5844 1
915 . 1 1 74 74 VAL HG22 H 1 0.970 0.02 . 1 . . . . . . . . 5844 1
916 . 1 1 74 74 VAL HG23 H 1 0.970 0.02 . 1 . . . . . . . . 5844 1
917 . 1 1 74 74 VAL C C 13 177.933 0.1 . 1 . . . . . . . . 5844 1
918 . 1 1 74 74 VAL CA C 13 66.293 0.1 . 1 . . . . . . . . 5844 1
919 . 1 1 74 74 VAL CB C 13 34.587 0.1 . 1 . . . . . . . . 5844 1
920 . 1 1 74 74 VAL CG1 C 13 22.438 0.1 . 1 . . . . . . . . 5844 1
921 . 1 1 74 74 VAL CG2 C 13 22.447 0.1 . 1 . . . . . . . . 5844 1
922 . 1 1 74 74 VAL N N 15 121.666 0.1 . 1 . . . . . . . . 5844 1
923 . 1 1 75 75 LEU H H 1 9.422 0.02 . 1 . . . . . . . . 5844 1
924 . 1 1 75 75 LEU HA H 1 4.364 0.02 . 1 . . . . . . . . 5844 1
925 . 1 1 75 75 LEU HB2 H 1 2.040 0.02 . 1 . . . . . . . . 5844 1
926 . 1 1 75 75 LEU HB3 H 1 2.040 0.02 . 1 . . . . . . . . 5844 1
927 . 1 1 75 75 LEU HG H 1 2.041 0.02 . 1 . . . . . . . . 5844 1
928 . 1 1 75 75 LEU HD11 H 1 0.868 0.02 . 1 . . . . . . . . 5844 1
929 . 1 1 75 75 LEU HD12 H 1 0.868 0.02 . 1 . . . . . . . . 5844 1
930 . 1 1 75 75 LEU HD13 H 1 0.868 0.02 . 1 . . . . . . . . 5844 1
931 . 1 1 75 75 LEU HD21 H 1 0.845 0.02 . 1 . . . . . . . . 5844 1
932 . 1 1 75 75 LEU HD22 H 1 0.845 0.02 . 1 . . . . . . . . 5844 1
933 . 1 1 75 75 LEU HD23 H 1 0.845 0.02 . 1 . . . . . . . . 5844 1
934 . 1 1 75 75 LEU CA C 13 60.234 0.1 . 1 . . . . . . . . 5844 1
935 . 1 1 75 75 LEU CB C 13 39.556 0.1 . 1 . . . . . . . . 5844 1
936 . 1 1 75 75 LEU CG C 13 27.248 0.1 . 1 . . . . . . . . 5844 1
937 . 1 1 75 75 LEU CD1 C 13 23.644 0.1 . 1 . . . . . . . . 5844 1
938 . 1 1 75 75 LEU CD2 C 13 24.254 0.1 . 1 . . . . . . . . 5844 1
939 . 1 1 75 75 LEU N N 15 118.983 0.1 . 1 . . . . . . . . 5844 1
940 . 1 1 76 76 PRO HA H 1 4.518 0.02 . 1 . . . . . . . . 5844 1
941 . 1 1 76 76 PRO HB2 H 1 2.434 0.02 . 2 . . . . . . . . 5844 1
942 . 1 1 76 76 PRO HB3 H 1 1.823 0.02 . 2 . . . . . . . . 5844 1
943 . 1 1 76 76 PRO HG2 H 1 2.235 0.02 . 2 . . . . . . . . 5844 1
944 . 1 1 76 76 PRO HG3 H 1 2.067 0.02 . 2 . . . . . . . . 5844 1
945 . 1 1 76 76 PRO HD2 H 1 3.771 0.02 . 2 . . . . . . . . 5844 1
946 . 1 1 76 76 PRO HD3 H 1 3.487 0.02 . 2 . . . . . . . . 5844 1
947 . 1 1 76 76 PRO C C 13 180.268 0.1 . 1 . . . . . . . . 5844 1
948 . 1 1 76 76 PRO CA C 13 66.204 0.1 . 1 . . . . . . . . 5844 1
949 . 1 1 76 76 PRO CB C 13 31.224 0.1 . 1 . . . . . . . . 5844 1
950 . 1 1 76 76 PRO CG C 13 28.727 0.1 . 1 . . . . . . . . 5844 1
951 . 1 1 76 76 PRO CD C 13 50.483 0.1 . 1 . . . . . . . . 5844 1
952 . 1 1 77 77 LYS H H 1 6.904 0.02 . 1 . . . . . . . . 5844 1
953 . 1 1 77 77 LYS HA H 1 4.158 0.02 . 1 . . . . . . . . 5844 1
954 . 1 1 77 77 LYS HB2 H 1 2.237 0.02 . 2 . . . . . . . . 5844 1
955 . 1 1 77 77 LYS HB3 H 1 1.970 0.02 . 2 . . . . . . . . 5844 1
956 . 1 1 77 77 LYS HG2 H 1 1.756 0.02 . 2 . . . . . . . . 5844 1
957 . 1 1 77 77 LYS HG3 H 1 1.512 0.02 . 2 . . . . . . . . 5844 1
958 . 1 1 77 77 LYS HD2 H 1 1.824 0.02 . 2 . . . . . . . . 5844 1
959 . 1 1 77 77 LYS HD3 H 1 1.835 0.02 . 2 . . . . . . . . 5844 1
960 . 1 1 77 77 LYS HE2 H 1 3.062 0.02 . 2 . . . . . . . . 5844 1
961 . 1 1 77 77 LYS HE3 H 1 3.059 0.02 . 2 . . . . . . . . 5844 1
962 . 1 1 77 77 LYS C C 13 178.997 0.1 . 1 . . . . . . . . 5844 1
963 . 1 1 77 77 LYS CA C 13 58.950 0.1 . 1 . . . . . . . . 5844 1
964 . 1 1 77 77 LYS CB C 13 33.671 0.1 . 1 . . . . . . . . 5844 1
965 . 1 1 77 77 LYS CG C 13 25.967 0.1 . 1 . . . . . . . . 5844 1
966 . 1 1 77 77 LYS CD C 13 29.728 0.1 . 1 . . . . . . . . 5844 1
967 . 1 1 77 77 LYS CE C 13 42.395 0.1 . 1 . . . . . . . . 5844 1
968 . 1 1 77 77 LYS N N 15 115.740 0.1 . 1 . . . . . . . . 5844 1
969 . 1 1 78 78 VAL H H 1 8.054 0.02 . 1 . . . . . . . . 5844 1
970 . 1 1 78 78 VAL HA H 1 3.664 0.02 . 1 . . . . . . . . 5844 1
971 . 1 1 78 78 VAL HB H 1 2.570 0.02 . 1 . . . . . . . . 5844 1
972 . 1 1 78 78 VAL HG11 H 1 1.060 0.02 . 1 . . . . . . . . 5844 1
973 . 1 1 78 78 VAL HG12 H 1 1.060 0.02 . 1 . . . . . . . . 5844 1
974 . 1 1 78 78 VAL HG13 H 1 1.060 0.02 . 1 . . . . . . . . 5844 1
975 . 1 1 78 78 VAL HG21 H 1 1.174 0.02 . 1 . . . . . . . . 5844 1
976 . 1 1 78 78 VAL HG22 H 1 1.174 0.02 . 1 . . . . . . . . 5844 1
977 . 1 1 78 78 VAL HG23 H 1 1.174 0.02 . 1 . . . . . . . . 5844 1
978 . 1 1 78 78 VAL C C 13 177.851 0.1 . 1 . . . . . . . . 5844 1
979 . 1 1 78 78 VAL CA C 13 66.980 0.1 . 1 . . . . . . . . 5844 1
980 . 1 1 78 78 VAL CB C 13 31.618 0.1 . 1 . . . . . . . . 5844 1
981 . 1 1 78 78 VAL CG1 C 13 21.172 0.1 . 1 . . . . . . . . 5844 1
982 . 1 1 78 78 VAL CG2 C 13 23.651 0.1 . 1 . . . . . . . . 5844 1
983 . 1 1 78 78 VAL N N 15 121.351 0.1 . 1 . . . . . . . . 5844 1
984 . 1 1 79 79 GLU H H 1 8.853 0.02 . 1 . . . . . . . . 5844 1
985 . 1 1 79 79 GLU HA H 1 3.968 0.02 . 1 . . . . . . . . 5844 1
986 . 1 1 79 79 GLU HB2 H 1 2.095 0.02 . 2 . . . . . . . . 5844 1
987 . 1 1 79 79 GLU HB3 H 1 2.126 0.02 . 2 . . . . . . . . 5844 1
988 . 1 1 79 79 GLU HG2 H 1 2.446 0.02 . 2 . . . . . . . . 5844 1
989 . 1 1 79 79 GLU HG3 H 1 2.040 0.02 . 2 . . . . . . . . 5844 1
990 . 1 1 79 79 GLU C C 13 179.769 0.1 . 1 . . . . . . . . 5844 1
991 . 1 1 79 79 GLU CA C 13 60.369 0.1 . 1 . . . . . . . . 5844 1
992 . 1 1 79 79 GLU CB C 13 29.786 0.1 . 1 . . . . . . . . 5844 1
993 . 1 1 79 79 GLU CG C 13 36.953 0.1 . 1 . . . . . . . . 5844 1
994 . 1 1 79 79 GLU N N 15 117.081 0.1 . 1 . . . . . . . . 5844 1
995 . 1 1 80 80 ALA H H 1 7.603 0.02 . 1 . . . . . . . . 5844 1
996 . 1 1 80 80 ALA HA H 1 4.192 0.02 . 1 . . . . . . . . 5844 1
997 . 1 1 80 80 ALA HB1 H 1 1.537 0.02 . 1 . . . . . . . . 5844 1
998 . 1 1 80 80 ALA HB2 H 1 1.537 0.02 . 1 . . . . . . . . 5844 1
999 . 1 1 80 80 ALA HB3 H 1 1.537 0.02 . 1 . . . . . . . . 5844 1
1000 . 1 1 80 80 ALA C C 13 179.560 0.1 . 1 . . . . . . . . 5844 1
1001 . 1 1 80 80 ALA CA C 13 54.425 0.1 . 1 . . . . . . . . 5844 1
1002 . 1 1 80 80 ALA CB C 13 18.257 0.1 . 1 . . . . . . . . 5844 1
1003 . 1 1 80 80 ALA N N 15 119.149 0.1 . 1 . . . . . . . . 5844 1
1004 . 1 1 81 81 VAL H H 1 7.413 0.02 . 1 . . . . . . . . 5844 1
1005 . 1 1 81 81 VAL HA H 1 3.604 0.02 . 1 . . . . . . . . 5844 1
1006 . 1 1 81 81 VAL HB H 1 2.179 0.02 . 1 . . . . . . . . 5844 1
1007 . 1 1 81 81 VAL HG11 H 1 0.654 0.02 . 1 . . . . . . . . 5844 1
1008 . 1 1 81 81 VAL HG12 H 1 0.654 0.02 . 1 . . . . . . . . 5844 1
1009 . 1 1 81 81 VAL HG13 H 1 0.654 0.02 . 1 . . . . . . . . 5844 1
1010 . 1 1 81 81 VAL HG21 H 1 0.862 0.02 . 1 . . . . . . . . 5844 1
1011 . 1 1 81 81 VAL HG22 H 1 0.862 0.02 . 1 . . . . . . . . 5844 1
1012 . 1 1 81 81 VAL HG23 H 1 0.862 0.02 . 1 . . . . . . . . 5844 1
1013 . 1 1 81 81 VAL C C 13 177.465 0.1 . 1 . . . . . . . . 5844 1
1014 . 1 1 81 81 VAL CA C 13 65.286 0.1 . 1 . . . . . . . . 5844 1
1015 . 1 1 81 81 VAL CB C 13 31.278 0.1 . 1 . . . . . . . . 5844 1
1016 . 1 1 81 81 VAL CG1 C 13 21.069 0.1 . 1 . . . . . . . . 5844 1
1017 . 1 1 81 81 VAL CG2 C 13 21.805 0.1 . 1 . . . . . . . . 5844 1
1018 . 1 1 81 81 VAL N N 15 117.374 0.1 . 1 . . . . . . . . 5844 1
1019 . 1 1 82 82 PHE H H 1 7.266 0.02 . 1 . . . . . . . . 5844 1
1020 . 1 1 82 82 PHE HA H 1 4.310 0.02 . 1 . . . . . . . . 5844 1
1021 . 1 1 82 82 PHE HB2 H 1 3.450 0.02 . 2 . . . . . . . . 5844 1
1022 . 1 1 82 82 PHE HB3 H 1 2.908 0.02 . 2 . . . . . . . . 5844 1
1023 . 1 1 82 82 PHE HD1 H 1 7.214 0.02 . 1 . . . . . . . . 5844 1
1024 . 1 1 82 82 PHE HD2 H 1 7.214 0.02 . 1 . . . . . . . . 5844 1
1025 . 1 1 82 82 PHE HE1 H 1 6.767 0.02 . 1 . . . . . . . . 5844 1
1026 . 1 1 82 82 PHE HE2 H 1 6.767 0.02 . 1 . . . . . . . . 5844 1
1027 . 1 1 82 82 PHE HZ H 1 6.915 0.02 . 1 . . . . . . . . 5844 1
1028 . 1 1 82 82 PHE C C 13 176.057 0.1 . 1 . . . . . . . . 5844 1
1029 . 1 1 82 82 PHE CA C 13 59.395 0.1 . 1 . . . . . . . . 5844 1
1030 . 1 1 82 82 PHE CB C 13 39.404 0.1 . 1 . . . . . . . . 5844 1
1031 . 1 1 82 82 PHE CD1 C 13 131.909 0.1 . 1 . . . . . . . . 5844 1
1032 . 1 1 82 82 PHE CD2 C 13 131.909 0.1 . 1 . . . . . . . . 5844 1
1033 . 1 1 82 82 PHE CE1 C 13 130.240 0.1 . 1 . . . . . . . . 5844 1
1034 . 1 1 82 82 PHE CE2 C 13 130.240 0.1 . 1 . . . . . . . . 5844 1
1035 . 1 1 82 82 PHE CZ C 13 128.924 0.1 . 1 . . . . . . . . 5844 1
1036 . 1 1 82 82 PHE N N 15 115.771 0.1 . 1 . . . . . . . . 5844 1
1037 . 1 1 83 83 GLU H H 1 7.681 0.02 . 1 . . . . . . . . 5844 1
1038 . 1 1 83 83 GLU HA H 1 4.321 0.02 . 1 . . . . . . . . 5844 1
1039 . 1 1 83 83 GLU HB2 H 1 2.187 0.02 . 2 . . . . . . . . 5844 1
1040 . 1 1 83 83 GLU HB3 H 1 2.050 0.02 . 2 . . . . . . . . 5844 1
1041 . 1 1 83 83 GLU HG2 H 1 2.350 0.02 . 1 . . . . . . . . 5844 1
1042 . 1 1 83 83 GLU HG3 H 1 2.350 0.02 . 1 . . . . . . . . 5844 1
1043 . 1 1 83 83 GLU C C 13 176.796 0.1 . 1 . . . . . . . . 5844 1
1044 . 1 1 83 83 GLU CA C 13 56.783 0.1 . 1 . . . . . . . . 5844 1
1045 . 1 1 83 83 GLU CB C 13 30.241 0.1 . 1 . . . . . . . . 5844 1
1046 . 1 1 83 83 GLU CG C 13 36.147 0.1 . 1 . . . . . . . . 5844 1
1047 . 1 1 83 83 GLU N N 15 119.191 0.1 . 1 . . . . . . . . 5844 1
1048 . 1 1 84 84 LEU H H 1 7.903 0.02 . 1 . . . . . . . . 5844 1
1049 . 1 1 84 84 LEU HA H 1 4.237 0.02 . 1 . . . . . . . . 5844 1
1050 . 1 1 84 84 LEU HB2 H 1 1.657 0.02 . 2 . . . . . . . . 5844 1
1051 . 1 1 84 84 LEU HB3 H 1 1.450 0.02 . 2 . . . . . . . . 5844 1
1052 . 1 1 84 84 LEU HG H 1 1.680 0.02 . 1 . . . . . . . . 5844 1
1053 . 1 1 84 84 LEU HD11 H 1 0.904 0.02 . 1 . . . . . . . . 5844 1
1054 . 1 1 84 84 LEU HD12 H 1 0.904 0.02 . 1 . . . . . . . . 5844 1
1055 . 1 1 84 84 LEU HD13 H 1 0.904 0.02 . 1 . . . . . . . . 5844 1
1056 . 1 1 84 84 LEU HD21 H 1 0.861 0.02 . 1 . . . . . . . . 5844 1
1057 . 1 1 84 84 LEU HD22 H 1 0.861 0.02 . 1 . . . . . . . . 5844 1
1058 . 1 1 84 84 LEU HD23 H 1 0.861 0.02 . 1 . . . . . . . . 5844 1
1059 . 1 1 84 84 LEU C C 13 177.692 0.1 . 1 . . . . . . . . 5844 1
1060 . 1 1 84 84 LEU CA C 13 55.723 0.1 . 1 . . . . . . . . 5844 1
1061 . 1 1 84 84 LEU CB C 13 42.338 0.1 . 1 . . . . . . . . 5844 1
1062 . 1 1 84 84 LEU CG C 13 26.948 0.1 . 1 . . . . . . . . 5844 1
1063 . 1 1 84 84 LEU CD1 C 13 24.950 0.1 . 1 . . . . . . . . 5844 1
1064 . 1 1 84 84 LEU CD2 C 13 23.501 0.1 . 1 . . . . . . . . 5844 1
1065 . 1 1 84 84 LEU N N 15 121.583 0.1 . 1 . . . . . . . . 5844 1
1066 . 1 1 85 85 GLU H H 1 8.252 0.02 . 1 . . . . . . . . 5844 1
1067 . 1 1 85 85 GLU HA H 1 4.123 0.02 . 1 . . . . . . . . 5844 1
1068 . 1 1 85 85 GLU HB2 H 1 1.934 0.02 . 1 . . . . . . . . 5844 1
1069 . 1 1 85 85 GLU HB3 H 1 1.934 0.02 . 1 . . . . . . . . 5844 1
1070 . 1 1 85 85 GLU HG2 H 1 2.175 0.02 . 1 . . . . . . . . 5844 1
1071 . 1 1 85 85 GLU HG3 H 1 2.175 0.02 . 1 . . . . . . . . 5844 1
1072 . 1 1 85 85 GLU C C 13 176.561 0.1 . 1 . . . . . . . . 5844 1
1073 . 1 1 85 85 GLU CA C 13 56.980 0.1 . 1 . . . . . . . . 5844 1
1074 . 1 1 85 85 GLU CB C 13 30.050 0.1 . 1 . . . . . . . . 5844 1
1075 . 1 1 85 85 GLU CG C 13 36.093 0.1 . 1 . . . . . . . . 5844 1
1076 . 1 1 85 85 GLU N N 15 120.473 0.1 . 1 . . . . . . . . 5844 1
1077 . 1 1 86 86 HIS H H 1 8.230 0.02 . 1 . . . . . . . . 5844 1
1078 . 1 1 86 86 HIS HA H 1 4.587 0.02 . 1 . . . . . . . . 5844 1
1079 . 1 1 86 86 HIS HB2 H 1 3.122 0.02 . 2 . . . . . . . . 5844 1
1080 . 1 1 86 86 HIS HB3 H 1 3.127 0.02 . 2 . . . . . . . . 5844 1
1081 . 1 1 86 86 HIS C C 13 173.902 0.1 . 1 . . . . . . . . 5844 1
1082 . 1 1 86 86 HIS CA C 13 56.036 0.1 . 1 . . . . . . . . 5844 1
1083 . 1 1 86 86 HIS CB C 13 29.924 0.1 . 1 . . . . . . . . 5844 1
1084 . 1 1 86 86 HIS N N 15 118.888 0.1 . 1 . . . . . . . . 5844 1
1085 . 1 1 87 87 HIS H H 1 8.163 0.02 . 1 . . . . . . . . 5844 1
1086 . 1 1 87 87 HIS HA H 1 4.412 0.02 . 1 . . . . . . . . 5844 1
1087 . 1 1 87 87 HIS CA C 13 57.230 0.1 . 1 . . . . . . . . 5844 1
1088 . 1 1 87 87 HIS CB C 13 27.970 0.1 . 1 . . . . . . . . 5844 1
1089 . 1 1 87 87 HIS N N 15 125.354 0.1 . 1 . . . . . . . . 5844 1
stop_
save_