###################################
# 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6854
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 '1H15N HSQC' 1 $sample_1 isotropic 6854 1
2 HNCACB 1 $sample_1 isotropic 6854 1
3 CBCACONH 1 $sample_1 isotropic 6854 1
4 '13C edited NOESY' 1 $sample_1 isotropic 6854 1
5 '15N edited NOESY' 1 $sample_1 isotropic 6854 1
6 'HCCH TOCSY' 1 $sample_1 isotropic 6854 1
7 'D2O TOCSY' 1 $sample_1 isotropic 6854 1
8 'D2O NOESY' 1 $sample_1 isotropic 6854 1
9 HCCONH 1 $sample_1 isotropic 6854 1
10 CCONH 1 $sample_1 isotropic 6854 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 THR H H 1 8.176 0.020 . 1 . . . . 2 THR H . 6854 1
2 . 1 1 2 2 THR HA H 1 4.344 0.020 . 1 . . . . 2 THR HA . 6854 1
3 . 1 1 2 2 THR HB H 1 4.147 0.020 . 1 . . . . 2 THR HB . 6854 1
4 . 1 1 2 2 THR HG21 H 1 1.181 0.020 . 1 . . . . 2 THR HG2 . 6854 1
5 . 1 1 2 2 THR HG22 H 1 1.181 0.020 . 1 . . . . 2 THR HG2 . 6854 1
6 . 1 1 2 2 THR HG23 H 1 1.181 0.020 . 1 . . . . 2 THR HG2 . 6854 1
7 . 1 1 2 2 THR CA C 13 62.402 0.400 . 1 . . . . 2 THR CA . 6854 1
8 . 1 1 2 2 THR CB C 13 69.934 0.400 . 1 . . . . 2 THR CB . 6854 1
9 . 1 1 2 2 THR CG2 C 13 21.861 0.400 . 1 . . . . 2 THR CG2 . 6854 1
10 . 1 1 2 2 THR N N 15 119.938 0.400 . 1 . . . . 2 THR N . 6854 1
11 . 1 1 3 3 GLU H H 1 8.445 0.020 . 1 . . . . 3 GLU H . 6854 1
12 . 1 1 3 3 GLU HA H 1 4.342 0.020 . 1 . . . . 3 GLU HA . 6854 1
13 . 1 1 3 3 GLU HG2 H 1 2.242 0.020 . 1 . . . . 3 GLU HG2 . 6854 1
14 . 1 1 3 3 GLU HG3 H 1 2.242 0.020 . 1 . . . . 3 GLU HG3 . 6854 1
15 . 1 1 3 3 GLU CA C 13 56.536 0.400 . 1 . . . . 3 GLU CA . 6854 1
16 . 1 1 3 3 GLU CB C 13 30.924 0.400 . 1 . . . . 3 GLU CB . 6854 1
17 . 1 1 3 3 GLU CG C 13 36.350 0.400 . 1 . . . . 3 GLU CG . 6854 1
18 . 1 1 3 3 GLU N N 15 124.037 0.400 . 1 . . . . 3 GLU N . 6854 1
19 . 1 1 4 4 GLU H H 1 8.556 0.020 . 1 . . . . 4 GLU H . 6854 1
20 . 1 1 4 4 GLU HA H 1 4.468 0.020 . 1 . . . . 4 GLU HA . 6854 1
21 . 1 1 4 4 GLU HB3 H 1 2.025 0.020 . 2 . . . . 4 GLU HB3 . 6854 1
22 . 1 1 4 4 GLU HG2 H 1 2.311 0.020 . 2 . . . . 4 GLU HG2 . 6854 1
23 . 1 1 4 4 GLU HG3 H 1 2.265 0.020 . 2 . . . . 4 GLU HG3 . 6854 1
24 . 1 1 4 4 GLU CA C 13 56.763 0.400 . 1 . . . . 4 GLU CA . 6854 1
25 . 1 1 4 4 GLU CB C 13 31.040 0.400 . 1 . . . . 4 GLU CB . 6854 1
26 . 1 1 4 4 GLU CG C 13 36.720 0.400 . 1 . . . . 4 GLU CG . 6854 1
27 . 1 1 4 4 GLU N N 15 123.002 0.400 . 1 . . . . 4 GLU N . 6854 1
28 . 1 1 5 5 VAL H H 1 8.391 0.020 . 1 . . . . 5 VAL H . 6854 1
29 . 1 1 5 5 VAL HA H 1 4.229 0.020 . 1 . . . . 5 VAL HA . 6854 1
30 . 1 1 5 5 VAL HB H 1 2.073 0.020 . 1 . . . . 5 VAL HB . 6854 1
31 . 1 1 5 5 VAL HG11 H 1 0.901 0.020 . 1 . . . . 5 VAL HG1 . 6854 1
32 . 1 1 5 5 VAL HG12 H 1 0.901 0.020 . 1 . . . . 5 VAL HG1 . 6854 1
33 . 1 1 5 5 VAL HG13 H 1 0.901 0.020 . 1 . . . . 5 VAL HG1 . 6854 1
34 . 1 1 5 5 VAL HG21 H 1 0.852 0.020 . 1 . . . . 5 VAL HG2 . 6854 1
35 . 1 1 5 5 VAL HG22 H 1 0.852 0.020 . 1 . . . . 5 VAL HG2 . 6854 1
36 . 1 1 5 5 VAL HG23 H 1 0.852 0.020 . 1 . . . . 5 VAL HG2 . 6854 1
37 . 1 1 5 5 VAL CA C 13 62.093 0.400 . 1 . . . . 5 VAL CA . 6854 1
38 . 1 1 5 5 VAL CB C 13 34.087 0.400 . 1 . . . . 5 VAL CB . 6854 1
39 . 1 1 5 5 VAL CG1 C 13 20.841 0.400 . 1 . . . . 5 VAL CG1 . 6854 1
40 . 1 1 5 5 VAL CG2 C 13 21.647 0.400 . 1 . . . . 5 VAL CG2 . 6854 1
41 . 1 1 5 5 VAL N N 15 123.193 0.400 . 1 . . . . 5 VAL N . 6854 1
42 . 1 1 6 6 ILE H H 1 8.312 0.020 . 1 . . . . 6 ILE H . 6854 1
43 . 1 1 6 6 ILE HA H 1 4.553 0.020 . 1 . . . . 6 ILE HA . 6854 1
44 . 1 1 6 6 ILE HB H 1 1.604 0.020 . 1 . . . . 6 ILE HB . 6854 1
45 . 1 1 6 6 ILE HG12 H 1 0.635 0.020 . 2 . . . . 6 ILE HG12 . 6854 1
46 . 1 1 6 6 ILE HG13 H 1 1.189 0.020 . 2 . . . . 6 ILE HG13 . 6854 1
47 . 1 1 6 6 ILE HG21 H 1 0.536 0.020 . 1 . . . . 6 ILE HG2 . 6854 1
48 . 1 1 6 6 ILE HG22 H 1 0.536 0.020 . 1 . . . . 6 ILE HG2 . 6854 1
49 . 1 1 6 6 ILE HG23 H 1 0.536 0.020 . 1 . . . . 6 ILE HG2 . 6854 1
50 . 1 1 6 6 ILE HD11 H 1 0.303 0.020 . 1 . . . . 6 ILE HD1 . 6854 1
51 . 1 1 6 6 ILE HD12 H 1 0.303 0.020 . 1 . . . . 6 ILE HD1 . 6854 1
52 . 1 1 6 6 ILE HD13 H 1 0.303 0.020 . 1 . . . . 6 ILE HD1 . 6854 1
53 . 1 1 6 6 ILE CA C 13 59.630 0.400 . 1 . . . . 6 ILE CA . 6854 1
54 . 1 1 6 6 ILE CB C 13 38.657 0.400 . 1 . . . . 6 ILE CB . 6854 1
55 . 1 1 6 6 ILE CG1 C 13 27.801 0.400 . 1 . . . . 6 ILE CG1 . 6854 1
56 . 1 1 6 6 ILE CG2 C 13 17.738 0.400 . 1 . . . . 6 ILE CG2 . 6854 1
57 . 1 1 6 6 ILE CD1 C 13 11.369 0.400 . 1 . . . . 6 ILE CD1 . 6854 1
58 . 1 1 6 6 ILE N N 15 126.699 0.400 . 1 . . . . 6 ILE N . 6854 1
59 . 1 1 7 7 VAL H H 1 8.953 0.020 . 1 . . . . 7 VAL H . 6854 1
60 . 1 1 7 7 VAL HA H 1 4.946 0.020 . 1 . . . . 7 VAL HA . 6854 1
61 . 1 1 7 7 VAL HB H 1 1.946 0.020 . 1 . . . . 7 VAL HB . 6854 1
62 . 1 1 7 7 VAL HG11 H 1 0.706 0.020 . 1 . . . . 7 VAL HG1 . 6854 1
63 . 1 1 7 7 VAL HG12 H 1 0.706 0.020 . 1 . . . . 7 VAL HG1 . 6854 1
64 . 1 1 7 7 VAL HG13 H 1 0.706 0.020 . 1 . . . . 7 VAL HG1 . 6854 1
65 . 1 1 7 7 VAL HG21 H 1 0.902 0.020 . 1 . . . . 7 VAL HG2 . 6854 1
66 . 1 1 7 7 VAL HG22 H 1 0.902 0.020 . 1 . . . . 7 VAL HG2 . 6854 1
67 . 1 1 7 7 VAL HG23 H 1 0.902 0.020 . 1 . . . . 7 VAL HG2 . 6854 1
68 . 1 1 7 7 VAL CA C 13 58.408 0.400 . 1 . . . . 7 VAL CA . 6854 1
69 . 1 1 7 7 VAL CB C 13 35.424 0.400 . 1 . . . . 7 VAL CB . 6854 1
70 . 1 1 7 7 VAL CG1 C 13 19.911 0.400 . 1 . . . . 7 VAL CG1 . 6854 1
71 . 1 1 7 7 VAL CG2 C 13 23.473 0.400 . 1 . . . . 7 VAL CG2 . 6854 1
72 . 1 1 7 7 VAL N N 15 119.354 0.400 . 1 . . . . 7 VAL N . 6854 1
73 . 1 1 8 8 ILE H H 1 8.567 0.020 . 1 . . . . 8 ILE H . 6854 1
74 . 1 1 8 8 ILE HA H 1 5.013 0.020 . 1 . . . . 8 ILE HA . 6854 1
75 . 1 1 8 8 ILE HB H 1 1.588 0.020 . 1 . . . . 8 ILE HB . 6854 1
76 . 1 1 8 8 ILE HG12 H 1 1.296 0.020 . 2 . . . . 8 ILE HG12 . 6854 1
77 . 1 1 8 8 ILE HG13 H 1 1.027 0.020 . 2 . . . . 8 ILE HG13 . 6854 1
78 . 1 1 8 8 ILE HG21 H 1 0.702 0.020 . 1 . . . . 8 ILE HG2 . 6854 1
79 . 1 1 8 8 ILE HG22 H 1 0.702 0.020 . 1 . . . . 8 ILE HG2 . 6854 1
80 . 1 1 8 8 ILE HG23 H 1 0.702 0.020 . 1 . . . . 8 ILE HG2 . 6854 1
81 . 1 1 8 8 ILE HD11 H 1 0.667 0.020 . 1 . . . . 8 ILE HD1 . 6854 1
82 . 1 1 8 8 ILE HD12 H 1 0.667 0.020 . 1 . . . . 8 ILE HD1 . 6854 1
83 . 1 1 8 8 ILE HD13 H 1 0.667 0.020 . 1 . . . . 8 ILE HD1 . 6854 1
84 . 1 1 8 8 ILE CA C 13 58.353 0.400 . 1 . . . . 8 ILE CA . 6854 1
85 . 1 1 8 8 ILE CB C 13 40.609 0.400 . 1 . . . . 8 ILE CB . 6854 1
86 . 1 1 8 8 ILE CG1 C 13 28.097 0.400 . 1 . . . . 8 ILE CG1 . 6854 1
87 . 1 1 8 8 ILE CG2 C 13 17.544 0.400 . 1 . . . . 8 ILE CG2 . 6854 1
88 . 1 1 8 8 ILE CD1 C 13 12.386 0.400 . 1 . . . . 8 ILE CD1 . 6854 1
89 . 1 1 8 8 ILE N N 15 119.310 0.400 . 1 . . . . 8 ILE N . 6854 1
90 . 1 1 9 9 ALA H H 1 8.675 0.020 . 1 . . . . 9 ALA H . 6854 1
91 . 1 1 9 9 ALA HA H 1 4.529 0.020 . 1 . . . . 9 ALA HA . 6854 1
92 . 1 1 9 9 ALA HB1 H 1 1.569 0.020 . 1 . . . . 9 ALA HB . 6854 1
93 . 1 1 9 9 ALA HB2 H 1 1.569 0.020 . 1 . . . . 9 ALA HB . 6854 1
94 . 1 1 9 9 ALA HB3 H 1 1.569 0.020 . 1 . . . . 9 ALA HB . 6854 1
95 . 1 1 9 9 ALA CA C 13 52.991 0.400 . 1 . . . . 9 ALA CA . 6854 1
96 . 1 1 9 9 ALA CB C 13 20.014 0.400 . 1 . . . . 9 ALA CB . 6854 1
97 . 1 1 9 9 ALA N N 15 128.825 0.400 . 1 . . . . 9 ALA N . 6854 1
98 . 1 1 10 10 LYS H H 1 9.326 0.020 . 1 . . . . 10 LYS H . 6854 1
99 . 1 1 10 10 LYS HA H 1 3.688 0.020 . 1 . . . . 10 LYS HA . 6854 1
100 . 1 1 10 10 LYS HB2 H 1 0.424 0.020 . 1 . . . . 10 LYS HB2 . 6854 1
101 . 1 1 10 10 LYS HB3 H 1 0.424 0.020 . 1 . . . . 10 LYS HB3 . 6854 1
102 . 1 1 10 10 LYS HG2 H 1 0.660 0.020 . 2 . . . . 10 LYS HG2 . 6854 1
103 . 1 1 10 10 LYS HG3 H 1 0.730 0.020 . 2 . . . . 10 LYS HG3 . 6854 1
104 . 1 1 10 10 LYS HD2 H 1 0.660 0.020 . 2 . . . . 10 LYS HD2 . 6854 1
105 . 1 1 10 10 LYS HD3 H 1 0.730 0.020 . 2 . . . . 10 LYS HD3 . 6854 1
106 . 1 1 10 10 LYS HE2 H 1 2.226 0.020 . 1 . . . . 10 LYS HE2 . 6854 1
107 . 1 1 10 10 LYS HE3 H 1 2.226 0.020 . 1 . . . . 10 LYS HE3 . 6854 1
108 . 1 1 10 10 LYS CA C 13 58.153 0.400 . 1 . . . . 10 LYS CA . 6854 1
109 . 1 1 10 10 LYS CB C 13 33.579 0.400 . 1 . . . . 10 LYS CB . 6854 1
110 . 1 1 10 10 LYS CG C 13 24.993 0.400 . 1 . . . . 10 LYS CG . 6854 1
111 . 1 1 10 10 LYS CD C 13 29.280 0.400 . 1 . . . . 10 LYS CD . 6854 1
112 . 1 1 10 10 LYS CE C 13 41.772 0.400 . 1 . . . . 10 LYS CE . 6854 1
113 . 1 1 10 10 LYS N N 15 126.704 0.400 . 1 . . . . 10 LYS N . 6854 1
114 . 1 1 11 11 TRP H H 1 7.019 0.020 . 1 . . . . 11 TRP H . 6854 1
115 . 1 1 11 11 TRP HA H 1 4.865 0.020 . 1 . . . . 11 TRP HA . 6854 1
116 . 1 1 11 11 TRP HB2 H 1 3.419 0.020 . 2 . . . . 11 TRP HB2 . 6854 1
117 . 1 1 11 11 TRP HB3 H 1 2.826 0.020 . 2 . . . . 11 TRP HB3 . 6854 1
118 . 1 1 11 11 TRP HD1 H 1 7.080 0.020 . 1 . . . . 11 TRP HD1 . 6854 1
119 . 1 1 11 11 TRP HE1 H 1 9.896 0.020 . 1 . . . . 11 TRP HE1 . 6854 1
120 . 1 1 11 11 TRP HE3 H 1 6.326 0.020 . 1 . . . . 11 TRP HE3 . 6854 1
121 . 1 1 11 11 TRP HZ2 H 1 7.315 0.020 . 1 . . . . 11 TRP HZ2 . 6854 1
122 . 1 1 11 11 TRP HZ3 H 1 6.660 0.020 . 1 . . . . 11 TRP HZ3 . 6854 1
123 . 1 1 11 11 TRP HH2 H 1 6.990 0.020 . 1 . . . . 11 TRP HH2 . 6854 1
124 . 1 1 11 11 TRP CA C 13 55.095 0.400 . 1 . . . . 11 TRP CA . 6854 1
125 . 1 1 11 11 TRP CB C 13 33.987 0.400 . 1 . . . . 11 TRP CB . 6854 1
126 . 1 1 11 11 TRP N N 15 111.771 0.400 . 1 . . . . 11 TRP N . 6854 1
127 . 1 1 11 11 TRP NE1 N 15 129.067 0.400 . 1 . . . . 11 TRP NE1 . 6854 1
128 . 1 1 12 12 ASP H H 1 8.403 0.020 . 1 . . . . 12 ASP H . 6854 1
129 . 1 1 12 12 ASP HA H 1 4.763 0.020 . 1 . . . . 12 ASP HA . 6854 1
130 . 1 1 12 12 ASP HB2 H 1 2.864 0.020 . 2 . . . . 12 ASP HB2 . 6854 1
131 . 1 1 12 12 ASP HB3 H 1 2.649 0.020 . 2 . . . . 12 ASP HB3 . 6854 1
132 . 1 1 12 12 ASP CA C 13 55.029 0.400 . 1 . . . . 12 ASP CA . 6854 1
133 . 1 1 12 12 ASP CB C 13 41.904 0.400 . 1 . . . . 12 ASP CB . 6854 1
134 . 1 1 12 12 ASP N N 15 117.223 0.400 . 1 . . . . 12 ASP N . 6854 1
135 . 1 1 13 13 TYR H H 1 8.804 0.020 . 1 . . . . 13 TYR H . 6854 1
136 . 1 1 13 13 TYR HA H 1 4.674 0.020 . 1 . . . . 13 TYR HA . 6854 1
137 . 1 1 13 13 TYR HB2 H 1 2.949 0.020 . 2 . . . . 13 TYR HB2 . 6854 1
138 . 1 1 13 13 TYR HB3 H 1 2.919 0.020 . 2 . . . . 13 TYR HB3 . 6854 1
139 . 1 1 13 13 TYR HD1 H 1 7.004 0.020 . 1 . . . . 13 TYR HD1 . 6854 1
140 . 1 1 13 13 TYR HE1 H 1 6.874 0.020 . 1 . . . . 13 TYR HE1 . 6854 1
141 . 1 1 13 13 TYR CA C 13 59.629 0.400 . 1 . . . . 13 TYR CA . 6854 1
142 . 1 1 13 13 TYR CB C 13 41.890 0.400 . 1 . . . . 13 TYR CB . 6854 1
143 . 1 1 13 13 TYR N N 15 121.033 0.400 . 1 . . . . 13 TYR N . 6854 1
144 . 1 1 14 14 THR H H 1 7.212 0.020 . 1 . . . . 14 THR H . 6854 1
145 . 1 1 14 14 THR HA H 1 4.497 0.020 . 1 . . . . 14 THR HA . 6854 1
146 . 1 1 14 14 THR HB H 1 3.610 0.020 . 1 . . . . 14 THR HB . 6854 1
147 . 1 1 14 14 THR HG21 H 1 1.112 0.020 . 1 . . . . 14 THR HG2 . 6854 1
148 . 1 1 14 14 THR HG22 H 1 1.112 0.020 . 1 . . . . 14 THR HG2 . 6854 1
149 . 1 1 14 14 THR HG23 H 1 1.112 0.020 . 1 . . . . 14 THR HG2 . 6854 1
150 . 1 1 14 14 THR CA C 13 60.853 0.400 . 1 . . . . 14 THR CA . 6854 1
151 . 1 1 14 14 THR CB C 13 70.147 0.400 . 1 . . . . 14 THR CB . 6854 1
152 . 1 1 14 14 THR CG2 C 13 21.673 0.400 . 1 . . . . 14 THR CG2 . 6854 1
153 . 1 1 14 14 THR N N 15 124.580 0.400 . 1 . . . . 14 THR N . 6854 1
154 . 1 1 15 15 ALA H H 1 8.847 0.020 . 1 . . . . 15 ALA H . 6854 1
155 . 1 1 15 15 ALA HA H 1 4.252 0.020 . 1 . . . . 15 ALA HA . 6854 1
156 . 1 1 15 15 ALA HB1 H 1 1.303 0.020 . 1 . . . . 15 ALA HB . 6854 1
157 . 1 1 15 15 ALA HB2 H 1 1.303 0.020 . 1 . . . . 15 ALA HB . 6854 1
158 . 1 1 15 15 ALA HB3 H 1 1.303 0.020 . 1 . . . . 15 ALA HB . 6854 1
159 . 1 1 15 15 ALA CA C 13 53.420 0.400 . 1 . . . . 15 ALA CA . 6854 1
160 . 1 1 15 15 ALA CB C 13 20.103 0.400 . 1 . . . . 15 ALA CB . 6854 1
161 . 1 1 15 15 ALA N N 15 128.851 0.400 . 1 . . . . 15 ALA N . 6854 1
162 . 1 1 16 16 GLN H H 1 9.141 0.020 . 1 . . . . 16 GLN H . 6854 1
163 . 1 1 16 16 GLN HA H 1 4.292 0.020 . 1 . . . . 16 GLN HA . 6854 1
164 . 1 1 16 16 GLN HB2 H 1 2.178 0.020 . 2 . . . . 16 GLN HB2 . 6854 1
165 . 1 1 16 16 GLN HB3 H 1 2.324 0.020 . 2 . . . . 16 GLN HB3 . 6854 1
166 . 1 1 16 16 GLN HG2 H 1 2.549 0.020 . 2 . . . . 16 GLN HG2 . 6854 1
167 . 1 1 16 16 GLN HG3 H 1 2.464 0.020 . 2 . . . . 16 GLN HG3 . 6854 1
168 . 1 1 16 16 GLN HE21 H 1 6.898 0.020 . 2 . . . . 16 GLN HE21 . 6854 1
169 . 1 1 16 16 GLN HE22 H 1 7.428 0.020 . 2 . . . . 16 GLN HE22 . 6854 1
170 . 1 1 16 16 GLN CA C 13 55.396 0.400 . 1 . . . . 16 GLN CA . 6854 1
171 . 1 1 16 16 GLN CB C 13 31.324 0.400 . 1 . . . . 16 GLN CB . 6854 1
172 . 1 1 16 16 GLN CG C 13 34.454 0.400 . 1 . . . . 16 GLN CG . 6854 1
173 . 1 1 16 16 GLN N N 15 120.594 0.400 . 1 . . . . 16 GLN N . 6854 1
174 . 1 1 16 16 GLN NE2 N 15 113.830 0.400 . 1 . . . . 16 GLN NE2 . 6854 1
175 . 1 1 17 17 GLN H H 1 7.221 0.020 . 1 . . . . 17 GLN H . 6854 1
176 . 1 1 17 17 GLN HA H 1 4.591 0.020 . 1 . . . . 17 GLN HA . 6854 1
177 . 1 1 17 17 GLN HB2 H 1 2.313 0.020 . 2 . . . . 17 GLN HB2 . 6854 1
178 . 1 1 17 17 GLN HB3 H 1 1.723 0.020 . 2 . . . . 17 GLN HB3 . 6854 1
179 . 1 1 17 17 GLN HG2 H 1 2.203 0.020 . 1 . . . . 17 GLN HG2 . 6854 1
180 . 1 1 17 17 GLN HG3 H 1 2.203 0.020 . 1 . . . . 17 GLN HG3 . 6854 1
181 . 1 1 17 17 GLN HE21 H 1 6.611 0.020 . 2 . . . . 17 GLN HE21 . 6854 1
182 . 1 1 17 17 GLN HE22 H 1 7.493 0.020 . 2 . . . . 17 GLN HE22 . 6854 1
183 . 1 1 17 17 GLN CA C 13 54.127 0.400 . 1 . . . . 17 GLN CA . 6854 1
184 . 1 1 17 17 GLN CB C 13 32.763 0.400 . 1 . . . . 17 GLN CB . 6854 1
185 . 1 1 17 17 GLN CG C 13 33.567 0.400 . 1 . . . . 17 GLN CG . 6854 1
186 . 1 1 17 17 GLN N N 15 114.269 0.400 . 1 . . . . 17 GLN N . 6854 1
187 . 1 1 17 17 GLN NE2 N 15 111.824 0.400 . 1 . . . . 17 GLN NE2 . 6854 1
188 . 1 1 18 18 ASP H H 1 8.818 0.020 . 1 . . . . 18 ASP H . 6854 1
189 . 1 1 18 18 ASP HA H 1 4.373 0.020 . 1 . . . . 18 ASP HA . 6854 1
190 . 1 1 18 18 ASP HB2 H 1 2.695 0.020 . 1 . . . . 18 ASP HB2 . 6854 1
191 . 1 1 18 18 ASP HB3 H 1 2.695 0.020 . 1 . . . . 18 ASP HB3 . 6854 1
192 . 1 1 18 18 ASP CA C 13 57.666 0.400 . 1 . . . . 18 ASP CA . 6854 1
193 . 1 1 18 18 ASP CB C 13 41.323 0.400 . 1 . . . . 18 ASP CB . 6854 1
194 . 1 1 18 18 ASP N N 15 120.992 0.400 . 1 . . . . 18 ASP N . 6854 1
195 . 1 1 19 19 GLN H H 1 8.316 0.020 . 1 . . . . 19 GLN H . 6854 1
196 . 1 1 19 19 GLN HA H 1 4.532 0.020 . 1 . . . . 19 GLN HA . 6854 1
197 . 1 1 19 19 GLN HB3 H 1 1.718 0.020 . 2 . . . . 19 GLN HB3 . 6854 1
198 . 1 1 19 19 GLN HG2 H 1 2.334 0.020 . 1 . . . . 19 GLN HG2 . 6854 1
199 . 1 1 19 19 GLN HG3 H 1 2.334 0.020 . 1 . . . . 19 GLN HG3 . 6854 1
200 . 1 1 19 19 GLN HE21 H 1 6.700 0.020 . 2 . . . . 19 GLN HE21 . 6854 1
201 . 1 1 19 19 GLN HE22 H 1 7.451 0.020 . 2 . . . . 19 GLN HE22 . 6854 1
202 . 1 1 19 19 GLN CA C 13 56.796 0.400 . 1 . . . . 19 GLN CA . 6854 1
203 . 1 1 19 19 GLN CB C 13 28.425 0.400 . 1 . . . . 19 GLN CB . 6854 1
204 . 1 1 19 19 GLN CG C 13 34.084 0.400 . 1 . . . . 19 GLN CG . 6854 1
205 . 1 1 19 19 GLN N N 15 113.573 0.400 . 1 . . . . 19 GLN N . 6854 1
206 . 1 1 19 19 GLN NE2 N 15 112.228 0.400 . 1 . . . . 19 GLN NE2 . 6854 1
207 . 1 1 20 20 GLU H H 1 7.725 0.020 . 1 . . . . 20 GLU H . 6854 1
208 . 1 1 20 20 GLU HA H 1 5.348 0.020 . 1 . . . . 20 GLU HA . 6854 1
209 . 1 1 20 20 GLU HB2 H 1 2.578 0.020 . 2 . . . . 20 GLU HB2 . 6854 1
210 . 1 1 20 20 GLU HB3 H 1 1.716 0.020 . 2 . . . . 20 GLU HB3 . 6854 1
211 . 1 1 20 20 GLU HG2 H 1 2.096 0.020 . 2 . . . . 20 GLU HG2 . 6854 1
212 . 1 1 20 20 GLU HG3 H 1 2.318 0.020 . 2 . . . . 20 GLU HG3 . 6854 1
213 . 1 1 20 20 GLU CA C 13 55.881 0.400 . 1 . . . . 20 GLU CA . 6854 1
214 . 1 1 20 20 GLU CB C 13 32.808 0.400 . 1 . . . . 20 GLU CB . 6854 1
215 . 1 1 20 20 GLU CG C 13 37.632 0.400 . 1 . . . . 20 GLU CG . 6854 1
216 . 1 1 20 20 GLU N N 15 120.137 0.400 . 1 . . . . 20 GLU N . 6854 1
217 . 1 1 21 21 LEU H H 1 7.878 0.020 . 1 . . . . 21 LEU H . 6854 1
218 . 1 1 21 21 LEU HA H 1 4.682 0.020 . 1 . . . . 21 LEU HA . 6854 1
219 . 1 1 21 21 LEU HB2 H 1 1.527 0.020 . 1 . . . . 21 LEU HB2 . 6854 1
220 . 1 1 21 21 LEU HB3 H 1 1.527 0.020 . 1 . . . . 21 LEU HB3 . 6854 1
221 . 1 1 21 21 LEU HG H 1 1.583 0.020 . 1 . . . . 21 LEU HG . 6854 1
222 . 1 1 21 21 LEU HD11 H 1 0.634 0.020 . 1 . . . . 21 LEU HD1 . 6854 1
223 . 1 1 21 21 LEU HD12 H 1 0.634 0.020 . 1 . . . . 21 LEU HD1 . 6854 1
224 . 1 1 21 21 LEU HD13 H 1 0.634 0.020 . 1 . . . . 21 LEU HD1 . 6854 1
225 . 1 1 21 21 LEU HD21 H 1 0.740 0.020 . 1 . . . . 21 LEU HD2 . 6854 1
226 . 1 1 21 21 LEU HD22 H 1 0.740 0.020 . 1 . . . . 21 LEU HD2 . 6854 1
227 . 1 1 21 21 LEU HD23 H 1 0.740 0.020 . 1 . . . . 21 LEU HD2 . 6854 1
228 . 1 1 21 21 LEU CA C 13 53.510 0.400 . 1 . . . . 21 LEU CA . 6854 1
229 . 1 1 21 21 LEU CB C 13 46.779 0.400 . 1 . . . . 21 LEU CB . 6854 1
230 . 1 1 21 21 LEU CG C 13 26.017 0.400 . 1 . . . . 21 LEU CG . 6854 1
231 . 1 1 21 21 LEU CD1 C 13 26.017 0.400 . 1 . . . . 21 LEU CD1 . 6854 1
232 . 1 1 21 21 LEU CD2 C 13 24.245 0.400 . 1 . . . . 21 LEU CD2 . 6854 1
233 . 1 1 21 21 LEU N N 15 122.315 0.400 . 1 . . . . 21 LEU N . 6854 1
234 . 1 1 22 22 ASP H H 1 7.540 0.020 . 1 . . . . 22 ASP H . 6854 1
235 . 1 1 22 22 ASP HA H 1 5.169 0.020 . 1 . . . . 22 ASP HA . 6854 1
236 . 1 1 22 22 ASP HB2 H 1 2.749 0.020 . 2 . . . . 22 ASP HB2 . 6854 1
237 . 1 1 22 22 ASP HB3 H 1 2.564 0.020 . 2 . . . . 22 ASP HB3 . 6854 1
238 . 1 1 22 22 ASP CA C 13 54.409 0.400 . 1 . . . . 22 ASP CA . 6854 1
239 . 1 1 22 22 ASP CB C 13 42.488 0.400 . 1 . . . . 22 ASP CB . 6854 1
240 . 1 1 22 22 ASP N N 15 120.847 0.400 . 1 . . . . 22 ASP N . 6854 1
241 . 1 1 23 23 ILE H H 1 8.985 0.020 . 1 . . . . 23 ILE H . 6854 1
242 . 1 1 23 23 ILE HA H 1 5.130 0.020 . 1 . . . . 23 ILE HA . 6854 1
243 . 1 1 23 23 ILE HB H 1 1.866 0.020 . 1 . . . . 23 ILE HB . 6854 1
244 . 1 1 23 23 ILE HG12 H 1 1.479 0.020 . 2 . . . . 23 ILE HG12 . 6854 1
245 . 1 1 23 23 ILE HG13 H 1 1.793 0.020 . 2 . . . . 23 ILE HG13 . 6854 1
246 . 1 1 23 23 ILE HG21 H 1 0.899 0.020 . 1 . . . . 23 ILE HG2 . 6854 1
247 . 1 1 23 23 ILE HG22 H 1 0.899 0.020 . 1 . . . . 23 ILE HG2 . 6854 1
248 . 1 1 23 23 ILE HG23 H 1 0.899 0.020 . 1 . . . . 23 ILE HG2 . 6854 1
249 . 1 1 23 23 ILE HD11 H 1 0.900 0.020 . 1 . . . . 23 ILE HD1 . 6854 1
250 . 1 1 23 23 ILE HD12 H 1 0.900 0.020 . 1 . . . . 23 ILE HD1 . 6854 1
251 . 1 1 23 23 ILE HD13 H 1 0.900 0.020 . 1 . . . . 23 ILE HD1 . 6854 1
252 . 1 1 23 23 ILE CA C 13 59.908 0.400 . 1 . . . . 23 ILE CA . 6854 1
253 . 1 1 23 23 ILE CB C 13 42.633 0.400 . 1 . . . . 23 ILE CB . 6854 1
254 . 1 1 23 23 ILE CG1 C 13 26.027 0.400 . 1 . . . . 23 ILE CG1 . 6854 1
255 . 1 1 23 23 ILE CG2 C 13 19.397 0.400 . 1 . . . . 23 ILE CG2 . 6854 1
256 . 1 1 23 23 ILE CD1 C 13 13.028 0.400 . 1 . . . . 23 ILE CD1 . 6854 1
257 . 1 1 23 23 ILE N N 15 115.641 0.400 . 1 . . . . 23 ILE N . 6854 1
258 . 1 1 24 24 LYS H H 1 9.001 0.020 . 1 . . . . 24 LYS H . 6854 1
259 . 1 1 24 24 LYS HA H 1 5.086 0.020 . 1 . . . . 24 LYS HA . 6854 1
260 . 1 1 24 24 LYS HB2 H 1 1.704 0.020 . 2 . . . . 24 LYS HB2 . 6854 1
261 . 1 1 24 24 LYS HB3 H 1 1.473 0.020 . 2 . . . . 24 LYS HB3 . 6854 1
262 . 1 1 24 24 LYS HG2 H 1 1.665 0.020 . 2 . . . . 24 LYS HG2 . 6854 1
263 . 1 1 24 24 LYS HG3 H 1 1.473 0.020 . 2 . . . . 24 LYS HG3 . 6854 1
264 . 1 1 24 24 LYS HD2 H 1 1.666 0.020 . 2 . . . . 24 LYS HD2 . 6854 1
265 . 1 1 24 24 LYS HD3 H 1 1.701 0.020 . 2 . . . . 24 LYS HD3 . 6854 1
266 . 1 1 24 24 LYS HE2 H 1 3.010 0.020 . 1 . . . . 24 LYS HE2 . 6854 1
267 . 1 1 24 24 LYS HE3 H 1 3.010 0.020 . 1 . . . . 24 LYS HE3 . 6854 1
268 . 1 1 24 24 LYS CA C 13 53.236 0.400 . 1 . . . . 24 LYS CA . 6854 1
269 . 1 1 24 24 LYS CB C 13 35.756 0.400 . 1 . . . . 24 LYS CB . 6854 1
270 . 1 1 24 24 LYS CG C 13 24.759 0.400 . 1 . . . . 24 LYS CG . 6854 1
271 . 1 1 24 24 LYS CD C 13 29.206 0.400 . 1 . . . . 24 LYS CD . 6854 1
272 . 1 1 24 24 LYS CE C 13 42.585 0.400 . 1 . . . . 24 LYS CE . 6854 1
273 . 1 1 24 24 LYS N N 15 123.424 0.400 . 1 . . . . 24 LYS N . 6854 1
274 . 1 1 25 25 LYS H H 1 9.018 0.020 . 1 . . . . 25 LYS H . 6854 1
275 . 1 1 25 25 LYS HA H 1 3.115 0.020 . 1 . . . . 25 LYS HA . 6854 1
276 . 1 1 25 25 LYS HB2 H 1 1.662 0.020 . 1 . . . . 25 LYS HB2 . 6854 1
277 . 1 1 25 25 LYS HB3 H 1 1.662 0.020 . 1 . . . . 25 LYS HB3 . 6854 1
278 . 1 1 25 25 LYS HG2 H 1 1.183 0.020 . 2 . . . . 25 LYS HG2 . 6854 1
279 . 1 1 25 25 LYS HG3 H 1 1.277 0.020 . 2 . . . . 25 LYS HG3 . 6854 1
280 . 1 1 25 25 LYS HD2 H 1 1.713 0.020 . 1 . . . . 25 LYS HD2 . 6854 1
281 . 1 1 25 25 LYS HD3 H 1 1.713 0.020 . 1 . . . . 25 LYS HD3 . 6854 1
282 . 1 1 25 25 LYS HE2 H 1 3.072 0.020 . 1 . . . . 25 LYS HE2 . 6854 1
283 . 1 1 25 25 LYS HE3 H 1 3.072 0.020 . 1 . . . . 25 LYS HE3 . 6854 1
284 . 1 1 25 25 LYS CA C 13 59.385 0.400 . 1 . . . . 25 LYS CA . 6854 1
285 . 1 1 25 25 LYS CB C 13 32.888 0.400 . 1 . . . . 25 LYS CB . 6854 1
286 . 1 1 25 25 LYS CG C 13 24.845 0.400 . 1 . . . . 25 LYS CG . 6854 1
287 . 1 1 25 25 LYS CD C 13 30.093 0.400 . 1 . . . . 25 LYS CD . 6854 1
288 . 1 1 25 25 LYS CE C 13 42.585 0.400 . 1 . . . . 25 LYS CE . 6854 1
289 . 1 1 25 25 LYS N N 15 121.245 0.400 . 1 . . . . 25 LYS N . 6854 1
290 . 1 1 26 26 ASN H H 1 8.739 0.020 . 1 . . . . 26 ASN H . 6854 1
291 . 1 1 26 26 ASN HA H 1 4.176 0.020 . 1 . . . . 26 ASN HA . 6854 1
292 . 1 1 26 26 ASN HB2 H 1 3.282 0.020 . 2 . . . . 26 ASN HB2 . 6854 1
293 . 1 1 26 26 ASN HB3 H 1 2.952 0.020 . 2 . . . . 26 ASN HB3 . 6854 1
294 . 1 1 26 26 ASN HD21 H 1 7.013 0.020 . 2 . . . . 26 ASN HD21 . 6854 1
295 . 1 1 26 26 ASN HD22 H 1 7.636 0.020 . 2 . . . . 26 ASN HD22 . 6854 1
296 . 1 1 26 26 ASN CA C 13 56.083 0.400 . 1 . . . . 26 ASN CA . 6854 1
297 . 1 1 26 26 ASN CB C 13 37.611 0.400 . 1 . . . . 26 ASN CB . 6854 1
298 . 1 1 26 26 ASN N N 15 118.668 0.400 . 1 . . . . 26 ASN N . 6854 1
299 . 1 1 26 26 ASN ND2 N 15 113.658 0.400 . 1 . . . . 26 ASN ND2 . 6854 1
300 . 1 1 27 27 GLU H H 1 8.648 0.020 . 1 . . . . 27 GLU H . 6854 1
301 . 1 1 27 27 GLU HA H 1 4.148 0.020 . 1 . . . . 27 GLU HA . 6854 1
302 . 1 1 27 27 GLU HB3 H 1 2.069 0.020 . 2 . . . . 27 GLU HB3 . 6854 1
303 . 1 1 27 27 GLU HG2 H 1 2.333 0.020 . 1 . . . . 27 GLU HG2 . 6854 1
304 . 1 1 27 27 GLU HG3 H 1 2.333 0.020 . 1 . . . . 27 GLU HG3 . 6854 1
305 . 1 1 27 27 GLU CA C 13 57.996 0.400 . 1 . . . . 27 GLU CA . 6854 1
306 . 1 1 27 27 GLU CB C 13 32.070 0.400 . 1 . . . . 27 GLU CB . 6854 1
307 . 1 1 27 27 GLU CG C 13 36.524 0.400 . 1 . . . . 27 GLU CG . 6854 1
308 . 1 1 27 27 GLU N N 15 124.019 0.400 . 1 . . . . 27 GLU N . 6854 1
309 . 1 1 28 28 ARG H H 1 8.389 0.020 . 1 . . . . 28 ARG H . 6854 1
310 . 1 1 28 28 ARG HA H 1 4.512 0.020 . 1 . . . . 28 ARG HA . 6854 1
311 . 1 1 28 28 ARG HB2 H 1 1.443 0.020 . 2 . . . . 28 ARG HB2 . 6854 1
312 . 1 1 28 28 ARG HB3 H 1 1.653 0.020 . 2 . . . . 28 ARG HB3 . 6854 1
313 . 1 1 28 28 ARG HG2 H 1 1.183 0.020 . 2 . . . . 28 ARG HG2 . 6854 1
314 . 1 1 28 28 ARG HG3 H 1 1.443 0.020 . 2 . . . . 28 ARG HG3 . 6854 1
315 . 1 1 28 28 ARG HD2 H 1 3.042 0.020 . 2 . . . . 28 ARG HD2 . 6854 1
316 . 1 1 28 28 ARG HD3 H 1 2.989 0.020 . 2 . . . . 28 ARG HD3 . 6854 1
317 . 1 1 28 28 ARG CA C 13 56.393 0.400 . 1 . . . . 28 ARG CA . 6854 1
318 . 1 1 28 28 ARG CB C 13 31.240 0.400 . 1 . . . . 28 ARG CB . 6854 1
319 . 1 1 28 28 ARG CG C 13 28.319 0.400 . 1 . . . . 28 ARG CG . 6854 1
320 . 1 1 28 28 ARG CD C 13 43.989 0.400 . 1 . . . . 28 ARG CD . 6854 1
321 . 1 1 28 28 ARG N N 15 124.708 0.400 . 1 . . . . 28 ARG N . 6854 1
322 . 1 1 29 29 LEU H H 1 8.873 0.020 . 1 . . . . 29 LEU H . 6854 1
323 . 1 1 29 29 LEU HA H 1 4.920 0.020 . 1 . . . . 29 LEU HA . 6854 1
324 . 1 1 29 29 LEU HB2 H 1 1.263 0.020 . 2 . . . . 29 LEU HB2 . 6854 1
325 . 1 1 29 29 LEU HB3 H 1 1.478 0.020 . 2 . . . . 29 LEU HB3 . 6854 1
326 . 1 1 29 29 LEU HG H 1 1.571 0.020 . 1 . . . . 29 LEU HG . 6854 1
327 . 1 1 29 29 LEU HD11 H 1 0.894 0.020 . 1 . . . . 29 LEU HD1 . 6854 1
328 . 1 1 29 29 LEU HD12 H 1 0.894 0.020 . 1 . . . . 29 LEU HD1 . 6854 1
329 . 1 1 29 29 LEU HD13 H 1 0.894 0.020 . 1 . . . . 29 LEU HD1 . 6854 1
330 . 1 1 29 29 LEU HD21 H 1 0.807 0.020 . 1 . . . . 29 LEU HD2 . 6854 1
331 . 1 1 29 29 LEU HD22 H 1 0.807 0.020 . 1 . . . . 29 LEU HD2 . 6854 1
332 . 1 1 29 29 LEU HD23 H 1 0.807 0.020 . 1 . . . . 29 LEU HD2 . 6854 1
333 . 1 1 29 29 LEU CA C 13 53.569 0.400 . 1 . . . . 29 LEU CA . 6854 1
334 . 1 1 29 29 LEU CB C 13 46.395 0.400 . 1 . . . . 29 LEU CB . 6854 1
335 . 1 1 29 29 LEU CG C 13 27.358 0.400 . 1 . . . . 29 LEU CG . 6854 1
336 . 1 1 29 29 LEU CD1 C 13 24.629 0.400 . 1 . . . . 29 LEU CD1 . 6854 1
337 . 1 1 29 29 LEU CD2 C 13 26.986 0.400 . 1 . . . . 29 LEU CD2 . 6854 1
338 . 1 1 29 29 LEU N N 15 125.527 0.400 . 1 . . . . 29 LEU N . 6854 1
339 . 1 1 30 30 TRP H H 1 9.202 0.020 . 1 . . . . 30 TRP H . 6854 1
340 . 1 1 30 30 TRP HA H 1 4.983 0.020 . 1 . . . . 30 TRP HA . 6854 1
341 . 1 1 30 30 TRP HB2 H 1 3.087 0.020 . 2 . . . . 30 TRP HB2 . 6854 1
342 . 1 1 30 30 TRP HB3 H 1 2.990 0.020 . 2 . . . . 30 TRP HB3 . 6854 1
343 . 1 1 30 30 TRP HD1 H 1 7.016 0.020 . 1 . . . . 30 TRP HD1 . 6854 1
344 . 1 1 30 30 TRP HE1 H 1 10.221 0.020 . 1 . . . . 30 TRP HE1 . 6854 1
345 . 1 1 30 30 TRP HE3 H 1 7.728 0.020 . 1 . . . . 30 TRP HE3 . 6854 1
346 . 1 1 30 30 TRP HZ2 H 1 7.425 0.020 . 1 . . . . 30 TRP HZ2 . 6854 1
347 . 1 1 30 30 TRP HZ3 H 1 6.830 0.020 . 1 . . . . 30 TRP HZ3 . 6854 1
348 . 1 1 30 30 TRP HH2 H 1 7.156 0.020 . 1 . . . . 30 TRP HH2 . 6854 1
349 . 1 1 30 30 TRP CA C 13 58.600 0.400 . 1 . . . . 30 TRP CA . 6854 1
350 . 1 1 30 30 TRP CB C 13 31.265 0.400 . 1 . . . . 30 TRP CB . 6854 1
351 . 1 1 30 30 TRP N N 15 121.346 0.400 . 1 . . . . 30 TRP N . 6854 1
352 . 1 1 30 30 TRP NE1 N 15 129.526 0.400 . 1 . . . . 30 TRP NE1 . 6854 1
353 . 1 1 31 31 LEU H H 1 9.102 0.020 . 1 . . . . 31 LEU H . 6854 1
354 . 1 1 31 31 LEU HA H 1 4.301 0.020 . 1 . . . . 31 LEU HA . 6854 1
355 . 1 1 31 31 LEU HB2 H 1 1.138 0.020 . 2 . . . . 31 LEU HB2 . 6854 1
356 . 1 1 31 31 LEU HB3 H 1 1.893 0.020 . 2 . . . . 31 LEU HB3 . 6854 1
357 . 1 1 31 31 LEU HG H 1 1.133 0.020 . 1 . . . . 31 LEU HG . 6854 1
358 . 1 1 31 31 LEU HD11 H 1 0.358 0.020 . 1 . . . . 31 LEU HD1 . 6854 1
359 . 1 1 31 31 LEU HD12 H 1 0.358 0.020 . 1 . . . . 31 LEU HD1 . 6854 1
360 . 1 1 31 31 LEU HD13 H 1 0.358 0.020 . 1 . . . . 31 LEU HD1 . 6854 1
361 . 1 1 31 31 LEU HD21 H 1 0.581 0.020 . 1 . . . . 31 LEU HD2 . 6854 1
362 . 1 1 31 31 LEU HD22 H 1 0.581 0.020 . 1 . . . . 31 LEU HD2 . 6854 1
363 . 1 1 31 31 LEU HD23 H 1 0.581 0.020 . 1 . . . . 31 LEU HD2 . 6854 1
364 . 1 1 31 31 LEU CA C 13 55.830 0.400 . 1 . . . . 31 LEU CA . 6854 1
365 . 1 1 31 31 LEU CB C 13 43.758 0.400 . 1 . . . . 31 LEU CB . 6854 1
366 . 1 1 31 31 LEU CG C 13 27.210 0.400 . 1 . . . . 31 LEU CG . 6854 1
367 . 1 1 31 31 LEU CD1 C 13 25.647 0.400 . 1 . . . . 31 LEU CD1 . 6854 1
368 . 1 1 31 31 LEU CD2 C 13 24.197 0.400 . 1 . . . . 31 LEU CD2 . 6854 1
369 . 1 1 31 31 LEU N N 15 124.901 0.400 . 1 . . . . 31 LEU N . 6854 1
370 . 1 1 32 32 LEU H H 1 9.021 0.020 . 1 . . . . 32 LEU H . 6854 1
371 . 1 1 32 32 LEU HA H 1 4.590 0.020 . 1 . . . . 32 LEU HA . 6854 1
372 . 1 1 32 32 LEU HB2 H 1 1.517 0.020 . 2 . . . . 32 LEU HB2 . 6854 1
373 . 1 1 32 32 LEU HB3 H 1 1.249 0.020 . 2 . . . . 32 LEU HB3 . 6854 1
374 . 1 1 32 32 LEU HG H 1 1.619 0.020 . 1 . . . . 32 LEU HG . 6854 1
375 . 1 1 32 32 LEU HD11 H 1 0.767 0.020 . 1 . . . . 32 LEU HD1 . 6854 1
376 . 1 1 32 32 LEU HD12 H 1 0.767 0.020 . 1 . . . . 32 LEU HD1 . 6854 1
377 . 1 1 32 32 LEU HD13 H 1 0.767 0.020 . 1 . . . . 32 LEU HD1 . 6854 1
378 . 1 1 32 32 LEU HD21 H 1 0.772 0.020 . 1 . . . . 32 LEU HD2 . 6854 1
379 . 1 1 32 32 LEU HD22 H 1 0.772 0.020 . 1 . . . . 32 LEU HD2 . 6854 1
380 . 1 1 32 32 LEU HD23 H 1 0.772 0.020 . 1 . . . . 32 LEU HD2 . 6854 1
381 . 1 1 32 32 LEU CA C 13 55.712 0.400 . 1 . . . . 32 LEU CA . 6854 1
382 . 1 1 32 32 LEU CB C 13 42.955 0.400 . 1 . . . . 32 LEU CB . 6854 1
383 . 1 1 32 32 LEU CG C 13 27.728 0.400 . 1 . . . . 32 LEU CG . 6854 1
384 . 1 1 32 32 LEU CD1 C 13 22.745 0.400 . 1 . . . . 32 LEU CD1 . 6854 1
385 . 1 1 32 32 LEU CD2 C 13 26.174 0.400 . 1 . . . . 32 LEU CD2 . 6854 1
386 . 1 1 32 32 LEU N N 15 126.339 0.400 . 1 . . . . 32 LEU N . 6854 1
387 . 1 1 33 33 ASP H H 1 7.458 0.020 . 1 . . . . 33 ASP H . 6854 1
388 . 1 1 33 33 ASP HA H 1 4.738 0.020 . 1 . . . . 33 ASP HA . 6854 1
389 . 1 1 33 33 ASP HB2 H 1 2.752 0.020 . 1 . . . . 33 ASP HB2 . 6854 1
390 . 1 1 33 33 ASP HB3 H 1 2.752 0.020 . 1 . . . . 33 ASP HB3 . 6854 1
391 . 1 1 33 33 ASP CA C 13 55.564 0.400 . 1 . . . . 33 ASP CA . 6854 1
392 . 1 1 33 33 ASP CB C 13 43.660 0.400 . 1 . . . . 33 ASP CB . 6854 1
393 . 1 1 33 33 ASP N N 15 115.276 0.400 . 1 . . . . 33 ASP N . 6854 1
394 . 1 1 34 34 ASP H H 1 8.305 0.020 . 1 . . . . 34 ASP H . 6854 1
395 . 1 1 34 34 ASP HA H 1 3.864 0.020 . 1 . . . . 34 ASP HA . 6854 1
396 . 1 1 34 34 ASP HB2 H 1 1.900 0.020 . 2 . . . . 34 ASP HB2 . 6854 1
397 . 1 1 34 34 ASP HB3 H 1 1.093 0.020 . 2 . . . . 34 ASP HB3 . 6854 1
398 . 1 1 34 34 ASP CA C 13 52.456 0.400 . 1 . . . . 34 ASP CA . 6854 1
399 . 1 1 34 34 ASP CB C 13 40.273 0.400 . 1 . . . . 34 ASP CB . 6854 1
400 . 1 1 34 34 ASP N N 15 128.620 0.400 . 1 . . . . 34 ASP N . 6854 1
401 . 1 1 35 35 SER H H 1 8.427 0.020 . 1 . . . . 35 SER H . 6854 1
402 . 1 1 35 35 SER HB2 H 1 4.039 0.020 . 2 . . . . 35 SER HB2 . 6854 1
403 . 1 1 35 35 SER HB3 H 1 4.225 0.020 . 2 . . . . 35 SER HB3 . 6854 1
404 . 1 1 35 35 SER CA C 13 61.704 0.400 . 1 . . . . 35 SER CA . 6854 1
405 . 1 1 35 35 SER CB C 13 64.280 0.400 . 1 . . . . 35 SER CB . 6854 1
406 . 1 1 35 35 SER N N 15 115.482 0.400 . 1 . . . . 35 SER N . 6854 1
407 . 1 1 36 36 LYS H H 1 8.406 0.020 . 1 . . . . 36 LYS H . 6854 1
408 . 1 1 36 36 LYS HA H 1 4.895 0.020 . 1 . . . . 36 LYS HA . 6854 1
409 . 1 1 36 36 LYS HB2 H 1 2.273 0.020 . 2 . . . . 36 LYS HB2 . 6854 1
410 . 1 1 36 36 LYS HB3 H 1 2.333 0.020 . 2 . . . . 36 LYS HB3 . 6854 1
411 . 1 1 36 36 LYS HG2 H 1 1.686 0.020 . 2 . . . . 36 LYS HG2 . 6854 1
412 . 1 1 36 36 LYS HG3 H 1 1.573 0.020 . 2 . . . . 36 LYS HG3 . 6854 1
413 . 1 1 36 36 LYS HD2 H 1 1.752 0.020 . 2 . . . . 36 LYS HD2 . 6854 1
414 . 1 1 36 36 LYS HD3 H 1 1.777 0.020 . 2 . . . . 36 LYS HD3 . 6854 1
415 . 1 1 36 36 LYS HE2 H 1 3.072 0.020 . 1 . . . . 36 LYS HE2 . 6854 1
416 . 1 1 36 36 LYS HE3 H 1 3.072 0.020 . 1 . . . . 36 LYS HE3 . 6854 1
417 . 1 1 36 36 LYS CA C 13 55.471 0.400 . 1 . . . . 36 LYS CA . 6854 1
418 . 1 1 36 36 LYS CB C 13 34.298 0.400 . 1 . . . . 36 LYS CB . 6854 1
419 . 1 1 36 36 LYS CG C 13 25.435 0.400 . 1 . . . . 36 LYS CG . 6854 1
420 . 1 1 36 36 LYS CD C 13 29.575 0.400 . 1 . . . . 36 LYS CD . 6854 1
421 . 1 1 36 36 LYS CE C 13 42.733 0.400 . 1 . . . . 36 LYS CE . 6854 1
422 . 1 1 36 36 LYS N N 15 122.112 0.400 . 1 . . . . 36 LYS N . 6854 1
423 . 1 1 37 37 THR H H 1 8.134 0.020 . 1 . . . . 37 THR H . 6854 1
424 . 1 1 37 37 THR HA H 1 4.153 0.020 . 1 . . . . 37 THR HA . 6854 1
425 . 1 1 37 37 THR HB H 1 4.321 0.020 . 1 . . . . 37 THR HB . 6854 1
426 . 1 1 37 37 THR HG21 H 1 1.272 0.020 . 1 . . . . 37 THR HG2 . 6854 1
427 . 1 1 37 37 THR HG22 H 1 1.272 0.020 . 1 . . . . 37 THR HG2 . 6854 1
428 . 1 1 37 37 THR HG23 H 1 1.272 0.020 . 1 . . . . 37 THR HG2 . 6854 1
429 . 1 1 37 37 THR CA C 13 64.847 0.400 . 1 . . . . 37 THR CA . 6854 1
430 . 1 1 37 37 THR CB C 13 69.196 0.400 . 1 . . . . 37 THR CB . 6854 1
431 . 1 1 37 37 THR CG2 C 13 22.472 0.400 . 1 . . . . 37 THR CG2 . 6854 1
432 . 1 1 37 37 THR N N 15 109.711 0.400 . 1 . . . . 37 THR N . 6854 1
433 . 1 1 38 38 TRP H H 1 7.515 0.020 . 1 . . . . 38 TRP H . 6854 1
434 . 1 1 38 38 TRP HA H 1 4.794 0.020 . 1 . . . . 38 TRP HA . 6854 1
435 . 1 1 38 38 TRP HB2 H 1 3.060 0.020 . 2 . . . . 38 TRP HB2 . 6854 1
436 . 1 1 38 38 TRP HB3 H 1 2.916 0.020 . 2 . . . . 38 TRP HB3 . 6854 1
437 . 1 1 38 38 TRP HD1 H 1 7.184 0.020 . 1 . . . . 38 TRP HD1 . 6854 1
438 . 1 1 38 38 TRP HE1 H 1 10.164 0.020 . 1 . . . . 38 TRP HE1 . 6854 1
439 . 1 1 38 38 TRP HE3 H 1 7.002 0.020 . 1 . . . . 38 TRP HE3 . 6854 1
440 . 1 1 38 38 TRP HZ2 H 1 7.379 0.020 . 1 . . . . 38 TRP HZ2 . 6854 1
441 . 1 1 38 38 TRP HZ3 H 1 6.743 0.020 . 1 . . . . 38 TRP HZ3 . 6854 1
442 . 1 1 38 38 TRP HH2 H 1 7.315 0.020 . 1 . . . . 38 TRP HH2 . 6854 1
443 . 1 1 38 38 TRP CA C 13 57.125 0.400 . 1 . . . . 38 TRP CA . 6854 1
444 . 1 1 38 38 TRP CB C 13 29.826 0.400 . 1 . . . . 38 TRP CB . 6854 1
445 . 1 1 38 38 TRP N N 15 121.554 0.400 . 1 . . . . 38 TRP N . 6854 1
446 . 1 1 38 38 TRP NE1 N 15 130.225 0.400 . 1 . . . . 38 TRP NE1 . 6854 1
447 . 1 1 39 39 TRP H H 1 9.314 0.020 . 1 . . . . 39 TRP H . 6854 1
448 . 1 1 39 39 TRP HA H 1 5.382 0.020 . 1 . . . . 39 TRP HA . 6854 1
449 . 1 1 39 39 TRP HB2 H 1 2.909 0.020 . 2 . . . . 39 TRP HB2 . 6854 1
450 . 1 1 39 39 TRP HB3 H 1 2.815 0.020 . 2 . . . . 39 TRP HB3 . 6854 1
451 . 1 1 39 39 TRP HD1 H 1 7.229 0.020 . 1 . . . . 39 TRP HD1 . 6854 1
452 . 1 1 39 39 TRP HE1 H 1 9.809 0.020 . 1 . . . . 39 TRP HE1 . 6854 1
453 . 1 1 39 39 TRP HE3 H 1 7.031 0.020 . 1 . . . . 39 TRP HE3 . 6854 1
454 . 1 1 39 39 TRP HZ2 H 1 7.557 0.020 . 1 . . . . 39 TRP HZ2 . 6854 1
455 . 1 1 39 39 TRP HZ3 H 1 6.719 0.020 . 1 . . . . 39 TRP HZ3 . 6854 1
456 . 1 1 39 39 TRP HH2 H 1 7.216 0.020 . 1 . . . . 39 TRP HH2 . 6854 1
457 . 1 1 39 39 TRP CA C 13 54.668 0.400 . 1 . . . . 39 TRP CA . 6854 1
458 . 1 1 39 39 TRP CB C 13 30.993 0.400 . 1 . . . . 39 TRP CB . 6854 1
459 . 1 1 39 39 TRP N N 15 125.576 0.400 . 1 . . . . 39 TRP N . 6854 1
460 . 1 1 39 39 TRP NE1 N 15 129.829 0.400 . 1 . . . . 39 TRP NE1 . 6854 1
461 . 1 1 40 40 ARG H H 1 8.736 0.020 . 1 . . . . 40 ARG H . 6854 1
462 . 1 1 40 40 ARG HA H 1 4.481 0.020 . 1 . . . . 40 ARG HA . 6854 1
463 . 1 1 40 40 ARG HB2 H 1 1.443 0.020 . 2 . . . . 40 ARG HB2 . 6854 1
464 . 1 1 40 40 ARG HB3 H 1 1.718 0.020 . 2 . . . . 40 ARG HB3 . 6854 1
465 . 1 1 40 40 ARG HG2 H 1 0.764 0.020 . 2 . . . . 40 ARG HG2 . 6854 1
466 . 1 1 40 40 ARG HG3 H 1 1.173 0.020 . 2 . . . . 40 ARG HG3 . 6854 1
467 . 1 1 40 40 ARG HD2 H 1 2.972 0.020 . 1 . . . . 40 ARG HD2 . 6854 1
468 . 1 1 40 40 ARG HD3 H 1 2.972 0.020 . 1 . . . . 40 ARG HD3 . 6854 1
469 . 1 1 40 40 ARG CA C 13 55.637 0.400 . 1 . . . . 40 ARG CA . 6854 1
470 . 1 1 40 40 ARG CB C 13 32.658 0.400 . 1 . . . . 40 ARG CB . 6854 1
471 . 1 1 40 40 ARG CG C 13 28.750 0.400 . 1 . . . . 40 ARG CG . 6854 1
472 . 1 1 40 40 ARG CD C 13 43.620 0.400 . 1 . . . . 40 ARG CD . 6854 1
473 . 1 1 40 40 ARG N N 15 124.291 0.400 . 1 . . . . 40 ARG N . 6854 1
474 . 1 1 41 41 VAL H H 1 9.233 0.020 . 1 . . . . 41 VAL H . 6854 1
475 . 1 1 41 41 VAL HA H 1 5.526 0.020 . 1 . . . . 41 VAL HA . 6854 1
476 . 1 1 41 41 VAL HB H 1 2.125 0.020 . 1 . . . . 41 VAL HB . 6854 1
477 . 1 1 41 41 VAL HG11 H 1 0.850 0.020 . 1 . . . . 41 VAL HG1 . 6854 1
478 . 1 1 41 41 VAL HG12 H 1 0.850 0.020 . 1 . . . . 41 VAL HG1 . 6854 1
479 . 1 1 41 41 VAL HG13 H 1 0.850 0.020 . 1 . . . . 41 VAL HG1 . 6854 1
480 . 1 1 41 41 VAL HG21 H 1 0.833 0.020 . 1 . . . . 41 VAL HG2 . 6854 1
481 . 1 1 41 41 VAL HG22 H 1 0.833 0.020 . 1 . . . . 41 VAL HG2 . 6854 1
482 . 1 1 41 41 VAL HG23 H 1 0.833 0.020 . 1 . . . . 41 VAL HG2 . 6854 1
483 . 1 1 41 41 VAL CA C 13 58.951 0.400 . 1 . . . . 41 VAL CA . 6854 1
484 . 1 1 41 41 VAL CB C 13 37.009 0.400 . 1 . . . . 41 VAL CB . 6854 1
485 . 1 1 41 41 VAL CG1 C 13 19.708 0.400 . 1 . . . . 41 VAL CG1 . 6854 1
486 . 1 1 41 41 VAL CG2 C 13 21.640 0.400 . 1 . . . . 41 VAL CG2 . 6854 1
487 . 1 1 41 41 VAL N N 15 121.443 0.400 . 1 . . . . 41 VAL N . 6854 1
488 . 1 1 42 42 ARG H H 1 9.223 0.020 . 1 . . . . 42 ARG H . 6854 1
489 . 1 1 42 42 ARG HA H 1 5.512 0.020 . 1 . . . . 42 ARG HA . 6854 1
490 . 1 1 42 42 ARG HB2 H 1 1.913 0.020 . 2 . . . . 42 ARG HB2 . 6854 1
491 . 1 1 42 42 ARG HB3 H 1 1.648 0.020 . 2 . . . . 42 ARG HB3 . 6854 1
492 . 1 1 42 42 ARG HG2 H 1 1.403 0.020 . 2 . . . . 42 ARG HG2 . 6854 1
493 . 1 1 42 42 ARG HG3 H 1 2.088 0.020 . 2 . . . . 42 ARG HG3 . 6854 1
494 . 1 1 42 42 ARG HD2 H 1 3.062 0.020 . 2 . . . . 42 ARG HD2 . 6854 1
495 . 1 1 42 42 ARG HD3 H 1 3.122 0.020 . 2 . . . . 42 ARG HD3 . 6854 1
496 . 1 1 42 42 ARG CA C 13 53.881 0.400 . 1 . . . . 42 ARG CA . 6854 1
497 . 1 1 42 42 ARG CB C 13 35.682 0.400 . 1 . . . . 42 ARG CB . 6854 1
498 . 1 1 42 42 ARG CG C 13 27.728 0.400 . 1 . . . . 42 ARG CG . 6854 1
499 . 1 1 42 42 ARG CD C 13 43.841 0.400 . 1 . . . . 42 ARG CD . 6854 1
500 . 1 1 42 42 ARG N N 15 119.840 0.400 . 1 . . . . 42 ARG N . 6854 1
501 . 1 1 43 43 ASN H H 1 8.729 0.020 . 1 . . . . 43 ASN H . 6854 1
502 . 1 1 43 43 ASN HA H 1 5.410 0.020 . 1 . . . . 43 ASN HA . 6854 1
503 . 1 1 43 43 ASN HB2 H 1 2.902 0.020 . 2 . . . . 43 ASN HB2 . 6854 1
504 . 1 1 43 43 ASN HB3 H 1 3.786 0.020 . 2 . . . . 43 ASN HB3 . 6854 1
505 . 1 1 43 43 ASN HD21 H 1 6.688 0.020 . 2 . . . . 43 ASN HD21 . 6854 1
506 . 1 1 43 43 ASN HD22 H 1 7.482 0.020 . 2 . . . . 43 ASN HD22 . 6854 1
507 . 1 1 43 43 ASN CA C 13 50.885 0.400 . 1 . . . . 43 ASN CA . 6854 1
508 . 1 1 43 43 ASN CB C 13 41.061 0.400 . 1 . . . . 43 ASN CB . 6854 1
509 . 1 1 43 43 ASN N N 15 123.158 0.400 . 1 . . . . 43 ASN N . 6854 1
510 . 1 1 43 43 ASN ND2 N 15 113.225 0.400 . 1 . . . . 43 ASN ND2 . 6854 1
511 . 1 1 44 44 ALA H H 1 9.498 0.020 . 1 . . . . 44 ALA H . 6854 1
512 . 1 1 44 44 ALA HA H 1 4.202 0.020 . 1 . . . . 44 ALA HA . 6854 1
513 . 1 1 44 44 ALA HB1 H 1 1.678 0.020 . 1 . . . . 44 ALA HB . 6854 1
514 . 1 1 44 44 ALA HB2 H 1 1.678 0.020 . 1 . . . . 44 ALA HB . 6854 1
515 . 1 1 44 44 ALA HB3 H 1 1.678 0.020 . 1 . . . . 44 ALA HB . 6854 1
516 . 1 1 44 44 ALA CA C 13 54.994 0.400 . 1 . . . . 44 ALA CA . 6854 1
517 . 1 1 44 44 ALA CB C 13 18.566 0.400 . 1 . . . . 44 ALA CB . 6854 1
518 . 1 1 44 44 ALA N N 15 121.832 0.400 . 1 . . . . 44 ALA N . 6854 1
519 . 1 1 45 45 ALA H H 1 7.578 0.020 . 1 . . . . 45 ALA H . 6854 1
520 . 1 1 45 45 ALA HA H 1 4.450 0.020 . 1 . . . . 45 ALA HA . 6854 1
521 . 1 1 45 45 ALA HB1 H 1 1.449 0.020 . 1 . . . . 45 ALA HB . 6854 1
522 . 1 1 45 45 ALA HB2 H 1 1.449 0.020 . 1 . . . . 45 ALA HB . 6854 1
523 . 1 1 45 45 ALA HB3 H 1 1.449 0.020 . 1 . . . . 45 ALA HB . 6854 1
524 . 1 1 45 45 ALA CA C 13 51.888 0.400 . 1 . . . . 45 ALA CA . 6854 1
525 . 1 1 45 45 ALA CB C 13 18.105 0.400 . 1 . . . . 45 ALA CB . 6854 1
526 . 1 1 45 45 ALA N N 15 120.287 0.400 . 1 . . . . 45 ALA N . 6854 1
527 . 1 1 46 46 ASN H H 1 8.374 0.020 . 1 . . . . 46 ASN H . 6854 1
528 . 1 1 46 46 ASN HA H 1 4.154 0.020 . 1 . . . . 46 ASN HA . 6854 1
529 . 1 1 46 46 ASN HB2 H 1 3.136 0.020 . 2 . . . . 46 ASN HB2 . 6854 1
530 . 1 1 46 46 ASN HB3 H 1 2.941 0.020 . 2 . . . . 46 ASN HB3 . 6854 1
531 . 1 1 46 46 ASN HD21 H 1 6.744 0.020 . 2 . . . . 46 ASN HD21 . 6854 1
532 . 1 1 46 46 ASN HD22 H 1 7.497 0.020 . 2 . . . . 46 ASN HD22 . 6854 1
533 . 1 1 46 46 ASN CA C 13 55.103 0.400 . 1 . . . . 46 ASN CA . 6854 1
534 . 1 1 46 46 ASN CB C 13 37.350 0.400 . 1 . . . . 46 ASN CB . 6854 1
535 . 1 1 46 46 ASN N N 15 112.902 0.400 . 1 . . . . 46 ASN N . 6854 1
536 . 1 1 46 46 ASN ND2 N 15 112.563 0.400 . 1 . . . . 46 ASN ND2 . 6854 1
537 . 1 1 47 47 ARG H H 1 8.222 0.020 . 1 . . . . 47 ARG H . 6854 1
538 . 1 1 47 47 ARG HA H 1 4.536 0.020 . 1 . . . . 47 ARG HA . 6854 1
539 . 1 1 47 47 ARG HB2 H 1 1.603 0.020 . 2 . . . . 47 ARG HB2 . 6854 1
540 . 1 1 47 47 ARG HB3 H 1 1.803 0.020 . 2 . . . . 47 ARG HB3 . 6854 1
541 . 1 1 47 47 ARG HG3 H 1 1.765 0.020 . 2 . . . . 47 ARG HG3 . 6854 1
542 . 1 1 47 47 ARG HD2 H 1 3.242 0.020 . 1 . . . . 47 ARG HD2 . 6854 1
543 . 1 1 47 47 ARG HD3 H 1 3.242 0.020 . 1 . . . . 47 ARG HD3 . 6854 1
544 . 1 1 47 47 ARG CA C 13 55.870 0.400 . 1 . . . . 47 ARG CA . 6854 1
545 . 1 1 47 47 ARG CB C 13 31.208 0.400 . 1 . . . . 47 ARG CB . 6854 1
546 . 1 1 47 47 ARG CG C 13 28.090 0.400 . 1 . . . . 47 ARG CG . 6854 1
547 . 1 1 47 47 ARG CD C 13 43.620 0.400 . 1 . . . . 47 ARG CD . 6854 1
548 . 1 1 47 47 ARG N N 15 120.694 0.400 . 1 . . . . 47 ARG N . 6854 1
549 . 1 1 48 48 THR H H 1 8.326 0.020 . 1 . . . . 48 THR H . 6854 1
550 . 1 1 48 48 THR HA H 1 5.666 0.020 . 1 . . . . 48 THR HA . 6854 1
551 . 1 1 48 48 THR HB H 1 3.882 0.020 . 1 . . . . 48 THR HB . 6854 1
552 . 1 1 48 48 THR HG21 H 1 1.047 0.020 . 1 . . . . 48 THR HG2 . 6854 1
553 . 1 1 48 48 THR HG22 H 1 1.047 0.020 . 1 . . . . 48 THR HG2 . 6854 1
554 . 1 1 48 48 THR HG23 H 1 1.047 0.020 . 1 . . . . 48 THR HG2 . 6854 1
555 . 1 1 48 48 THR CA C 13 59.713 0.400 . 1 . . . . 48 THR CA . 6854 1
556 . 1 1 48 48 THR CB C 13 72.010 0.400 . 1 . . . . 48 THR CB . 6854 1
557 . 1 1 48 48 THR CG2 C 13 21.639 0.400 . 1 . . . . 48 THR CG2 . 6854 1
558 . 1 1 48 48 THR N N 15 113.797 0.400 . 1 . . . . 48 THR N . 6854 1
559 . 1 1 49 49 GLY H H 1 8.689 0.020 . 1 . . . . 49 GLY H . 6854 1
560 . 1 1 49 49 GLY HA2 H 1 3.886 0.020 . 2 . . . . 49 GLY HA2 . 6854 1
561 . 1 1 49 49 GLY HA3 H 1 4.092 0.020 . 2 . . . . 49 GLY HA3 . 6854 1
562 . 1 1 49 49 GLY CA C 13 45.375 0.400 . 1 . . . . 49 GLY CA . 6854 1
563 . 1 1 49 49 GLY N N 15 108.356 0.400 . 1 . . . . 49 GLY N . 6854 1
564 . 1 1 50 50 TYR H H 1 9.006 0.020 . 1 . . . . 50 TYR H . 6854 1
565 . 1 1 50 50 TYR HA H 1 5.732 0.020 . 1 . . . . 50 TYR HA . 6854 1
566 . 1 1 50 50 TYR HB2 H 1 3.071 0.020 . 2 . . . . 50 TYR HB2 . 6854 1
567 . 1 1 50 50 TYR HB3 H 1 2.652 0.020 . 2 . . . . 50 TYR HB3 . 6854 1
568 . 1 1 50 50 TYR HD1 H 1 7.024 0.020 . 1 . . . . 50 TYR HD1 . 6854 1
569 . 1 1 50 50 TYR HE1 H 1 6.900 0.020 . 1 . . . . 50 TYR HE1 . 6854 1
570 . 1 1 50 50 TYR CA C 13 58.579 0.400 . 1 . . . . 50 TYR CA . 6854 1
571 . 1 1 50 50 TYR CB C 13 42.120 0.400 . 1 . . . . 50 TYR CB . 6854 1
572 . 1 1 50 50 TYR N N 15 118.419 0.400 . 1 . . . . 50 TYR N . 6854 1
573 . 1 1 51 51 VAL H H 1 9.093 0.020 . 1 . . . . 51 VAL H . 6854 1
574 . 1 1 51 51 VAL HA H 1 4.788 0.020 . 1 . . . . 51 VAL HA . 6854 1
575 . 1 1 51 51 VAL HB H 1 1.747 0.020 . 1 . . . . 51 VAL HB . 6854 1
576 . 1 1 51 51 VAL HG11 H 1 0.684 0.020 . 1 . . . . 51 VAL HG1 . 6854 1
577 . 1 1 51 51 VAL HG12 H 1 0.684 0.020 . 1 . . . . 51 VAL HG1 . 6854 1
578 . 1 1 51 51 VAL HG13 H 1 0.684 0.020 . 1 . . . . 51 VAL HG1 . 6854 1
579 . 1 1 51 51 VAL HG21 H 1 1.057 0.020 . 1 . . . . 51 VAL HG2 . 6854 1
580 . 1 1 51 51 VAL HG22 H 1 1.057 0.020 . 1 . . . . 51 VAL HG2 . 6854 1
581 . 1 1 51 51 VAL HG23 H 1 1.057 0.020 . 1 . . . . 51 VAL HG2 . 6854 1
582 . 1 1 51 51 VAL CA C 13 57.744 0.400 . 1 . . . . 51 VAL CA . 6854 1
583 . 1 1 51 51 VAL CB C 13 33.632 0.400 . 1 . . . . 51 VAL CB . 6854 1
584 . 1 1 51 51 VAL CG1 C 13 18.557 0.400 . 1 . . . . 51 VAL CG1 . 6854 1
585 . 1 1 51 51 VAL CG2 C 13 23.456 0.400 . 1 . . . . 51 VAL CG2 . 6854 1
586 . 1 1 51 51 VAL N N 15 111.975 0.400 . 1 . . . . 51 VAL N . 6854 1
587 . 1 1 52 52 PRO HA H 1 3.253 0.020 . 1 . . . . 52 PRO HA . 6854 1
588 . 1 1 52 52 PRO HB2 H 1 1.448 0.020 . 2 . . . . 52 PRO HB2 . 6854 1
589 . 1 1 52 52 PRO HB3 H 1 1.353 0.020 . 2 . . . . 52 PRO HB3 . 6854 1
590 . 1 1 52 52 PRO HG2 H 1 0.629 0.020 . 2 . . . . 52 PRO HG2 . 6854 1
591 . 1 1 52 52 PRO HG3 H 1 0.344 0.020 . 2 . . . . 52 PRO HG3 . 6854 1
592 . 1 1 52 52 PRO HD2 H 1 2.330 0.020 . 2 . . . . 52 PRO HD2 . 6854 1
593 . 1 1 52 52 PRO HD3 H 1 2.053 0.020 . 2 . . . . 52 PRO HD3 . 6854 1
594 . 1 1 52 52 PRO CA C 13 62.599 0.400 . 1 . . . . 52 PRO CA . 6854 1
595 . 1 1 52 52 PRO CB C 13 30.719 0.400 . 1 . . . . 52 PRO CB . 6854 1
596 . 1 1 52 52 PRO CG C 13 27.356 0.400 . 1 . . . . 52 PRO CG . 6854 1
597 . 1 1 52 52 PRO CD C 13 49.681 0.400 . 1 . . . . 52 PRO CD . 6854 1
598 . 1 1 53 53 SER H H 1 7.821 0.020 . 1 . . . . 53 SER H . 6854 1
599 . 1 1 53 53 SER HA H 1 2.522 0.020 . 1 . . . . 53 SER HA . 6854 1
600 . 1 1 53 53 SER HB2 H 1 2.078 0.020 . 2 . . . . 53 SER HB2 . 6854 1
601 . 1 1 53 53 SER HB3 H 1 2.230 0.020 . 2 . . . . 53 SER HB3 . 6854 1
602 . 1 1 53 53 SER CA C 13 61.236 0.400 . 1 . . . . 53 SER CA . 6854 1
603 . 1 1 53 53 SER CB C 13 60.298 0.400 . 1 . . . . 53 SER CB . 6854 1
604 . 1 1 53 53 SER N N 15 118.743 0.400 . 1 . . . . 53 SER N . 6854 1
605 . 1 1 54 54 ASN HA H 1 4.436 0.020 . 1 . . . . 54 ASN HA . 6854 1
606 . 1 1 54 54 ASN HB2 H 1 2.902 0.020 . 2 . . . . 54 ASN HB2 . 6854 1
607 . 1 1 54 54 ASN HB3 H 1 2.669 0.020 . 2 . . . . 54 ASN HB3 . 6854 1
608 . 1 1 54 54 ASN HD21 H 1 7.646 0.020 . 2 . . . . 54 ASN HD21 . 6854 1
609 . 1 1 54 54 ASN HD22 H 1 6.806 0.020 . 2 . . . . 54 ASN HD22 . 6854 1
610 . 1 1 54 54 ASN CA C 13 54.130 0.400 . 1 . . . . 54 ASN CA . 6854 1
611 . 1 1 54 54 ASN CB C 13 36.912 0.400 . 1 . . . . 54 ASN CB . 6854 1
612 . 1 1 54 54 ASN ND2 N 15 113.254 0.400 . 1 . . . . 54 ASN ND2 . 6854 1
613 . 1 1 55 55 TYR H H 1 7.897 0.020 . 1 . . . . 55 TYR H . 6854 1
614 . 1 1 55 55 TYR HA H 1 4.379 0.020 . 1 . . . . 55 TYR HA . 6854 1
615 . 1 1 55 55 TYR HB2 H 1 3.208 0.020 . 2 . . . . 55 TYR HB2 . 6854 1
616 . 1 1 55 55 TYR HB3 H 1 3.024 0.020 . 2 . . . . 55 TYR HB3 . 6854 1
617 . 1 1 55 55 TYR HD1 H 1 7.161 0.020 . 1 . . . . 55 TYR HD1 . 6854 1
618 . 1 1 55 55 TYR HE1 H 1 7.083 0.020 . 1 . . . . 55 TYR HE1 . 6854 1
619 . 1 1 55 55 TYR CA C 13 59.808 0.400 . 1 . . . . 55 TYR CA . 6854 1
620 . 1 1 55 55 TYR CB C 13 38.735 0.400 . 1 . . . . 55 TYR CB . 6854 1
621 . 1 1 55 55 TYR N N 15 118.191 0.400 . 1 . . . . 55 TYR N . 6854 1
622 . 1 1 56 56 VAL H H 1 7.226 0.020 . 1 . . . . 56 VAL H . 6854 1
623 . 1 1 56 56 VAL HA H 1 5.067 0.020 . 1 . . . . 56 VAL HA . 6854 1
624 . 1 1 56 56 VAL HB H 1 1.813 0.020 . 1 . . . . 56 VAL HB . 6854 1
625 . 1 1 56 56 VAL HG11 H 1 0.722 0.020 . 1 . . . . 56 VAL HG1 . 6854 1
626 . 1 1 56 56 VAL HG12 H 1 0.722 0.020 . 1 . . . . 56 VAL HG1 . 6854 1
627 . 1 1 56 56 VAL HG13 H 1 0.722 0.020 . 1 . . . . 56 VAL HG1 . 6854 1
628 . 1 1 56 56 VAL HG21 H 1 0.669 0.020 . 1 . . . . 56 VAL HG2 . 6854 1
629 . 1 1 56 56 VAL HG22 H 1 0.669 0.020 . 1 . . . . 56 VAL HG2 . 6854 1
630 . 1 1 56 56 VAL HG23 H 1 0.669 0.020 . 1 . . . . 56 VAL HG2 . 6854 1
631 . 1 1 56 56 VAL CA C 13 58.700 0.400 . 1 . . . . 56 VAL CA . 6854 1
632 . 1 1 56 56 VAL CB C 13 35.733 0.400 . 1 . . . . 56 VAL CB . 6854 1
633 . 1 1 56 56 VAL CG1 C 13 19.826 0.400 . 1 . . . . 56 VAL CG1 . 6854 1
634 . 1 1 56 56 VAL CG2 C 13 22.260 0.400 . 1 . . . . 56 VAL CG2 . 6854 1
635 . 1 1 56 56 VAL N N 15 111.148 0.400 . 1 . . . . 56 VAL N . 6854 1
636 . 1 1 57 57 GLU H H 1 8.581 0.020 . 1 . . . . 57 GLU H . 6854 1
637 . 1 1 57 57 GLU HA H 1 4.717 0.020 . 1 . . . . 57 GLU HA . 6854 1
638 . 1 1 57 57 GLU HG2 H 1 2.063 0.020 . 1 . . . . 57 GLU HG2 . 6854 1
639 . 1 1 57 57 GLU HG3 H 1 2.063 0.020 . 1 . . . . 57 GLU HG3 . 6854 1
640 . 1 1 57 57 GLU CA C 13 54.528 0.400 . 1 . . . . 57 GLU CA . 6854 1
641 . 1 1 57 57 GLU CB C 13 33.556 0.400 . 1 . . . . 57 GLU CB . 6854 1
642 . 1 1 57 57 GLU CG C 13 36.228 0.400 . 1 . . . . 57 GLU CG . 6854 1
643 . 1 1 57 57 GLU N N 15 118.908 0.400 . 1 . . . . 57 GLU N . 6854 1
644 . 1 1 58 58 ARG H H 1 8.979 0.020 . 1 . . . . 58 ARG H . 6854 1
645 . 1 1 58 58 ARG HA H 1 4.493 0.020 . 1 . . . . 58 ARG HA . 6854 1
646 . 1 1 58 58 ARG HB2 H 1 1.713 0.020 . 2 . . . . 58 ARG HB2 . 6854 1
647 . 1 1 58 58 ARG HB3 H 1 1.893 0.020 . 2 . . . . 58 ARG HB3 . 6854 1
648 . 1 1 58 58 ARG HD3 H 1 3.122 0.020 . 2 . . . . 58 ARG HD3 . 6854 1
649 . 1 1 58 58 ARG CA C 13 56.811 0.400 . 1 . . . . 58 ARG CA . 6854 1
650 . 1 1 58 58 ARG CB C 13 31.483 0.400 . 1 . . . . 58 ARG CB . 6854 1
651 . 1 1 58 58 ARG CG C 13 28.393 0.400 . 1 . . . . 58 ARG CG . 6854 1
652 . 1 1 58 58 ARG CD C 13 43.915 0.400 . 1 . . . . 58 ARG CD . 6854 1
653 . 1 1 58 58 ARG N N 15 124.734 0.400 . 1 . . . . 58 ARG N . 6854 1
654 . 1 1 59 59 LYS H H 1 8.520 0.020 . 1 . . . . 59 LYS H . 6854 1
655 . 1 1 59 59 LYS CA C 13 56.435 0.400 . 1 . . . . 59 LYS CA . 6854 1
656 . 1 1 59 59 LYS CB C 13 33.407 0.400 . 1 . . . . 59 LYS CB . 6854 1
657 . 1 1 59 59 LYS N N 15 124.952 0.400 . 1 . . . . 59 LYS N . 6854 1
stop_
save_