###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 11591
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11591 1
2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11591 1
3 '3D HNCO' 1 $sample_1 isotropic 11591 1
4 '3D HNCA' 1 $sample_1 isotropic 11591 1
5 '3D HNCACB' 1 $sample_1 isotropic 11591 1
6 '3D HBHA(CO)NH' 1 $sample_1 isotropic 11591 1
7 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11591 1
8 '2D 1H-13C HSQC' 2 $sample_2 isotropic 11591 1
9 '3D HCCH-TOCSY' 2 $sample_2 isotropic 11591 1
10 '3D 1H-13C NOESY' 2 $sample_2 isotropic 11591 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 ASN CA C 13 51.964 0.097 . 1 . . . A 1 ASN CA . 11591 1
2 . 1 1 1 1 ASN CB C 13 36.978 0.077 . 1 . . . A 1 ASN CB . 11591 1
3 . 1 1 1 1 ASN C C 13 176.141 0.009 . 1 . . . A 1 ASN C . 11591 1
4 . 1 1 1 1 ASN H H 1 8.439 0.008 . 1 . . . A 1 ASN H . 11591 1
5 . 1 1 1 1 ASN HA H 1 4.164 0.025 . 1 . . . A 1 ASN HA . 11591 1
6 . 1 1 1 1 ASN HB2 H 1 2.837 0.064 . 2 . . . A 1 ASN HB2 . 11591 1
7 . 1 1 1 1 ASN HB3 H 1 2.699 0.016 . 2 . . . A 1 ASN HB3 . 11591 1
8 . 1 1 1 1 ASN N N 15 120.614 0.065 . 1 . . . A 1 ASN N . 11591 1
9 . 1 1 2 2 LEU CA C 13 55.777 0.08 . 1 . . . A 2 LEU CA . 11591 1
10 . 1 1 2 2 LEU CB C 13 42.812 0.052 . 1 . . . A 2 LEU CB . 11591 1
11 . 1 1 2 2 LEU C C 13 176.763 0.009 . 1 . . . A 2 LEU C . 11591 1
12 . 1 1 2 2 LEU HA H 1 3.791 0.018 . 1 . . . A 2 LEU HA . 11591 1
13 . 1 1 2 2 LEU HB2 H 1 1.334 0.022 . 2 . . . A 2 LEU HB2 . 11591 1
14 . 1 1 2 2 LEU HB3 H 1 1.2 0.01 . 2 . . . A 2 LEU HB3 . 11591 1
15 . 1 1 2 2 LEU H H 1 9.199 0.001 . 1 . . . A 2 LEU H . 11591 1
16 . 1 1 2 2 LEU N N 15 129.595 0.053 . 1 . . . A 2 LEU N . 11591 1
17 . 1 1 3 3 ALA CA C 13 51.449 0.067 . 1 . . . A 3 ALA CA . 11591 1
18 . 1 1 3 3 ALA CB C 13 21.05 0.072 . 1 . . . A 3 ALA CB . 11591 1
19 . 1 1 3 3 ALA C C 13 175.472 0 . 1 . . . A 3 ALA C . 11591 1
20 . 1 1 3 3 ALA H H 1 7.694 0.008 . 1 . . . A 3 ALA H . 11591 1
21 . 1 1 3 3 ALA HA H 1 3.815 0.01 . 1 . . . A 3 ALA HA . 11591 1
22 . 1 1 3 3 ALA N N 15 117.353 0.052 . 1 . . . A 3 ALA N . 11591 1
23 . 1 1 3 3 ALA HB1 H 1 1.406 0.017 . 1 . . . A 3 ALA HB1 . 11591 1
24 . 1 1 3 3 ALA HB2 H 1 1.406 0.017 . 1 . . . A 3 ALA HB2 . 11591 1
25 . 1 1 3 3 ALA HB3 H 1 1.406 0.017 . 1 . . . A 3 ALA HB3 . 11591 1
26 . 1 1 4 4 LEU CA C 13 56.415 0.081 . 1 . . . A 4 LEU CA . 11591 1
27 . 1 1 4 4 LEU CB C 13 41.998 0.073 . 1 . . . A 4 LEU CB . 11591 1
28 . 1 1 4 4 LEU CD1 C 13 22.451 0.097 . 1 . . . A 4 LEU CD1 . 11591 1
29 . 1 1 4 4 LEU CG C 13 25.858 0.075 . 1 . . . A 4 LEU CG . 11591 1
30 . 1 1 4 4 LEU C C 13 177.732 0 . 1 . . . A 4 LEU C . 11591 1
31 . 1 1 4 4 LEU H H 1 6.324 0.01 . 1 . . . A 4 LEU H . 11591 1
32 . 1 1 4 4 LEU HA H 1 3.911 0.023 . 1 . . . A 4 LEU HA . 11591 1
33 . 1 1 4 4 LEU HB2 H 1 1.675 0.011 . 2 . . . A 4 LEU HB2 . 11591 1
34 . 1 1 4 4 LEU HB3 H 1 1.303 0.01 . 2 . . . A 4 LEU HB3 . 11591 1
35 . 1 1 4 4 LEU HG H 1 0.788 0.013 . 1 . . . A 4 LEU HG . 11591 1
36 . 1 1 4 4 LEU N N 15 118.311 0.031 . 1 . . . A 4 LEU N . 11591 1
37 . 1 1 4 4 LEU HD11 H 1 0.675 0.012 . 1 . . . A 4 LEU HD11 . 11591 1
38 . 1 1 4 4 LEU HD12 H 1 0.675 0.012 . 1 . . . A 4 LEU HD12 . 11591 1
39 . 1 1 4 4 LEU HD13 H 1 0.675 0.012 . 1 . . . A 4 LEU HD13 . 11591 1
40 . 1 1 5 5 ASN CA C 13 54.875 0.075 . 1 . . . A 5 ASN CA . 11591 1
41 . 1 1 5 5 ASN CB C 13 37.059 0.068 . 1 . . . A 5 ASN CB . 11591 1
42 . 1 1 5 5 ASN C C 13 174.419 0.032 . 1 . . . A 5 ASN C . 11591 1
43 . 1 1 5 5 ASN HA H 1 4.325 0.01 . 1 . . . A 5 ASN HA . 11591 1
44 . 1 1 5 5 ASN HB2 H 1 2.985 0.017 . 2 . . . A 5 ASN HB2 . 11591 1
45 . 1 1 5 5 ASN HB3 H 1 2.811 0.011 . 2 . . . A 5 ASN HB3 . 11591 1
46 . 1 1 5 5 ASN HD21 H 1 7.552 0.011 . 2 . . . A 5 ASN HD21 . 11591 1
47 . 1 1 5 5 ASN HD22 H 1 6.986 0.02 . 2 . . . A 5 ASN HD22 . 11591 1
48 . 1 1 5 5 ASN H H 1 9.905 0.001 . 1 . . . A 5 ASN H . 11591 1
49 . 1 1 5 5 ASN N N 15 120.467 0.031 . 1 . . . A 5 ASN N . 11591 1
50 . 1 1 5 5 ASN ND2 N 15 113.207 0.006 . 1 . . . A 5 ASN ND2 . 11591 1
51 . 1 1 6 6 LYS CA C 13 53.227 0.086 . 1 . . . A 6 LYS CA . 11591 1
52 . 1 1 6 6 LYS CB C 13 31.387 0.06 . 1 . . . A 6 LYS CB . 11591 1
53 . 1 1 6 6 LYS C C 13 175.945 0.005 . 1 . . . A 6 LYS C . 11591 1
54 . 1 1 6 6 LYS HA H 1 4.328 0.011 . 1 . . . A 6 LYS HA . 11591 1
55 . 1 1 6 6 LYS HB2 H 1 1.95 0.014 . 2 . . . A 6 LYS HB2 . 11591 1
56 . 1 1 6 6 LYS HB3 H 1 1.33 0.01 . 2 . . . A 6 LYS HB3 . 11591 1
57 . 1 1 6 6 LYS H H 1 7.31 0.001 . 1 . . . A 6 LYS H . 11591 1
58 . 1 1 6 6 LYS N N 15 118.852 0.045 . 1 . . . A 6 LYS N . 11591 1
59 . 1 1 7 7 THR CA C 13 64.157 0.097 . 1 . . . A 7 THR CA . 11591 1
60 . 1 1 7 7 THR CB C 13 69.536 0.073 . 1 . . . A 7 THR CB . 11591 1
61 . 1 1 7 7 THR CG2 C 13 22.074 0.012 . 1 . . . A 7 THR CG2 . 11591 1
62 . 1 1 7 7 THR C C 13 173.222 0.009 . 1 . . . A 7 THR C . 11591 1
63 . 1 1 7 7 THR HA H 1 3.905 0.021 . 1 . . . A 7 THR HA . 11591 1
64 . 1 1 7 7 THR HB H 1 3.925 0.016 . 1 . . . A 7 THR HB . 11591 1
65 . 1 1 7 7 THR H H 1 7.737 0.004 . 1 . . . A 7 THR H . 11591 1
66 . 1 1 7 7 THR N N 15 114.143 0.069 . 1 . . . A 7 THR N . 11591 1
67 . 1 1 7 7 THR HG21 H 1 1.182 0.011 . 1 . . . A 7 THR HG21 . 11591 1
68 . 1 1 7 7 THR HG22 H 1 1.182 0.011 . 1 . . . A 7 THR HG22 . 11591 1
69 . 1 1 7 7 THR HG23 H 1 1.182 0.011 . 1 . . . A 7 THR HG23 . 11591 1
70 . 1 1 8 8 ALA CA C 13 50.437 0.084 . 1 . . . A 8 ALA CA . 11591 1
71 . 1 1 8 8 ALA CB C 13 25.732 0.038 . 1 . . . A 8 ALA CB . 11591 1
72 . 1 1 8 8 ALA C C 13 176.244 0.002 . 1 . . . A 8 ALA C . 11591 1
73 . 1 1 8 8 ALA HA H 1 4.906 0.022 . 1 . . . A 8 ALA HA . 11591 1
74 . 1 1 8 8 ALA H H 1 8.473 0 . 1 . . . A 8 ALA H . 11591 1
75 . 1 1 8 8 ALA N N 15 131.108 0.025 . 1 . . . A 8 ALA N . 11591 1
76 . 1 1 8 8 ALA HB1 H 1 0.959 0.016 . 1 . . . A 8 ALA HB1 . 11591 1
77 . 1 1 8 8 ALA HB2 H 1 0.959 0.016 . 1 . . . A 8 ALA HB2 . 11591 1
78 . 1 1 8 8 ALA HB3 H 1 0.959 0.016 . 1 . . . A 8 ALA HB3 . 11591 1
79 . 1 1 9 9 THR CA C 13 61.808 0.102 . 1 . . . A 9 THR CA . 11591 1
80 . 1 1 9 9 THR CB C 13 71.495 0.13 . 1 . . . A 9 THR CB . 11591 1
81 . 1 1 9 9 THR CG2 C 13 20.909 0.131 . 1 . . . A 9 THR CG2 . 11591 1
82 . 1 1 9 9 THR C C 13 170.617 0.002 . 1 . . . A 9 THR C . 11591 1
83 . 1 1 9 9 THR HA H 1 4.1 0.022 . 1 . . . A 9 THR HA . 11591 1
84 . 1 1 9 9 THR HB H 1 2.374 0.008 . 1 . . . A 9 THR HB . 11591 1
85 . 1 1 9 9 THR H H 1 8.321 0.001 . 1 . . . A 9 THR H . 11591 1
86 . 1 1 9 9 THR N N 15 117.415 0.047 . 1 . . . A 9 THR N . 11591 1
87 . 1 1 9 9 THR HG21 H 1 1.11 0.013 . 1 . . . A 9 THR HG21 . 11591 1
88 . 1 1 9 9 THR HG22 H 1 1.11 0.013 . 1 . . . A 9 THR HG22 . 11591 1
89 . 1 1 9 9 THR HG23 H 1 1.11 0.013 . 1 . . . A 9 THR HG23 . 11591 1
90 . 1 1 10 10 ALA CA C 13 49.858 0.12 . 1 . . . A 10 ALA CA . 11591 1
91 . 1 1 10 10 ALA CB C 13 24.45 0.035 . 1 . . . A 10 ALA CB . 11591 1
92 . 1 1 10 10 ALA C C 13 176.743 0.005 . 1 . . . A 10 ALA C . 11591 1
93 . 1 1 10 10 ALA HA H 1 4.811 0.013 . 1 . . . A 10 ALA HA . 11591 1
94 . 1 1 10 10 ALA H H 1 8.518 0.001 . 1 . . . A 10 ALA H . 11591 1
95 . 1 1 10 10 ALA N N 15 126.13 0.08 . 1 . . . A 10 ALA N . 11591 1
96 . 1 1 10 10 ALA HB1 H 1 1.02 0.018 . 1 . . . A 10 ALA HB1 . 11591 1
97 . 1 1 10 10 ALA HB2 H 1 1.02 0.018 . 1 . . . A 10 ALA HB2 . 11591 1
98 . 1 1 10 10 ALA HB3 H 1 1.02 0.018 . 1 . . . A 10 ALA HB3 . 11591 1
99 . 1 1 11 11 SER CA C 13 60.038 0.119 . 1 . . . A 11 SER CA . 11591 1
100 . 1 1 11 11 SER CB C 13 59.921 0.132 . 1 . . . A 11 SER CB . 11591 1
101 . 1 1 11 11 SER C C 13 175.281 0 . 1 . . . A 11 SER C . 11591 1
102 . 1 1 11 11 SER HA H 1 3.394 0.008 . 1 . . . A 11 SER HA . 11591 1
103 . 1 1 11 11 SER HB2 H 1 2.812 0.008 . 2 . . . A 11 SER HB2 . 11591 1
104 . 1 1 11 11 SER HB3 H 1 1.205 0.004 . 2 . . . A 11 SER HB3 . 11591 1
105 . 1 1 11 11 SER H H 1 7.84 0 . 1 . . . A 11 SER H . 11591 1
106 . 1 1 11 11 SER N N 15 115.243 0.05 . 1 . . . A 11 SER N . 11591 1
107 . 1 1 12 12 SER CA C 13 58.145 0.13 . 1 . . . A 12 SER CA . 11591 1
108 . 1 1 12 12 SER CB C 13 65.034 0.081 . 1 . . . A 12 SER CB . 11591 1
109 . 1 1 12 12 SER C C 13 172.191 0 . 1 . . . A 12 SER C . 11591 1
110 . 1 1 12 12 SER HA H 1 4.445 0.011 . 1 . . . A 12 SER HA . 11591 1
111 . 1 1 12 12 SER HB2 H 1 4.137 0.015 . 2 . . . A 12 SER HB2 . 11591 1
112 . 1 1 12 12 SER HB3 H 1 3.727 0.027 . 2 . . . A 12 SER HB3 . 11591 1
113 . 1 1 12 12 SER H H 1 7.339 0 . 1 . . . A 12 SER H . 11591 1
114 . 1 1 12 12 SER N N 15 110.709 0.08 . 1 . . . A 12 SER N . 11591 1
115 . 1 1 13 13 ILE CA C 13 58.854 0.13 . 1 . . . A 13 ILE CA . 11591 1
116 . 1 1 13 13 ILE CB C 13 42.955 0.121 . 1 . . . A 13 ILE CB . 11591 1
117 . 1 1 13 13 ILE CD1 C 13 13.907 0.144 . 1 . . . A 13 ILE CD1 . 11591 1
118 . 1 1 13 13 ILE CG1 C 13 25.429 0.161 . 1 . . . A 13 ILE CG1 . 11591 1
119 . 1 1 13 13 ILE CG2 C 13 18.849 0.091 . 1 . . . A 13 ILE CG2 . 11591 1
120 . 1 1 13 13 ILE C C 13 176.336 0.006 . 1 . . . A 13 ILE C . 11591 1
121 . 1 1 13 13 ILE HA H 1 5.355 0.013 . 1 . . . A 13 ILE HA . 11591 1
122 . 1 1 13 13 ILE HB H 1 1.849 0.014 . 1 . . . A 13 ILE HB . 11591 1
123 . 1 1 13 13 ILE H H 1 8.264 0.001 . 1 . . . A 13 ILE H . 11591 1
124 . 1 1 13 13 ILE N N 15 111.516 0.04 . 1 . . . A 13 ILE N . 11591 1
125 . 1 1 13 13 ILE HD11 H 1 0.827 0.014 . 1 . . . A 13 ILE HD11 . 11591 1
126 . 1 1 13 13 ILE HD12 H 1 0.827 0.014 . 1 . . . A 13 ILE HD12 . 11591 1
127 . 1 1 13 13 ILE HD13 H 1 0.827 0.014 . 1 . . . A 13 ILE HD13 . 11591 1
128 . 1 1 13 13 ILE HG12 H 1 1.15 0.016 . 1 . . . A 13 ILE HG12 . 11591 1
129 . 1 1 13 13 ILE HG13 H 1 1.15 0.016 . 1 . . . A 13 ILE HG13 . 11591 1
130 . 1 1 13 13 ILE HG21 H 1 1.157 0.011 . 1 . . . A 13 ILE HG21 . 11591 1
131 . 1 1 13 13 ILE HG22 H 1 1.157 0.011 . 1 . . . A 13 ILE HG22 . 11591 1
132 . 1 1 13 13 ILE HG23 H 1 1.157 0.011 . 1 . . . A 13 ILE HG23 . 11591 1
133 . 1 1 14 14 GLU CA C 13 58.399 0.17 . 1 . . . A 14 GLU CA . 11591 1
134 . 1 1 14 14 GLU CB C 13 29.518 0.103 . 1 . . . A 14 GLU CB . 11591 1
135 . 1 1 14 14 GLU CG C 13 35.355 0.163 . 1 . . . A 14 GLU CG . 11591 1
136 . 1 1 14 14 GLU C C 13 176.407 0.005 . 1 . . . A 14 GLU C . 11591 1
137 . 1 1 14 14 GLU HA H 1 3.535 0.017 . 1 . . . A 14 GLU HA . 11591 1
138 . 1 1 14 14 GLU HB2 H 1 1.522 0.04 . 2 . . . A 14 GLU HB2 . 11591 1
139 . 1 1 14 14 GLU HB3 H 1 1.001 0.014 . 2 . . . A 14 GLU HB3 . 11591 1
140 . 1 1 14 14 GLU HG2 H 1 1.829 0.016 . 1 . . . A 14 GLU HG2 . 11591 1
141 . 1 1 14 14 GLU H H 1 8.435 0.001 . 1 . . . A 14 GLU H . 11591 1
142 . 1 1 14 14 GLU N N 15 124.303 0.055 . 1 . . . A 14 GLU N . 11591 1
143 . 1 1 15 15 GLY CA C 13 43.467 0.063 . 1 . . . A 15 GLY CA . 11591 1
144 . 1 1 15 15 GLY C C 13 171.062 0.041 . 1 . . . A 15 GLY C . 11591 1
145 . 1 1 15 15 GLY HA2 H 1 4.2 0.011 . 2 . . . A 15 GLY HA2 . 11591 1
146 . 1 1 15 15 GLY HA3 H 1 3.775 0.008 . 2 . . . A 15 GLY HA3 . 11591 1
147 . 1 1 15 15 GLY H H 1 6.745 0 . 1 . . . A 15 GLY H . 11591 1
148 . 1 1 15 15 GLY N N 15 99.595 0.041 . 1 . . . A 15 GLY N . 11591 1
149 . 1 1 16 16 ALA CA C 13 53.323 0.143 . 1 . . . A 16 ALA CA . 11591 1
150 . 1 1 16 16 ALA CB C 13 17.94 0.059 . 1 . . . A 16 ALA CB . 11591 1
151 . 1 1 16 16 ALA C C 13 178.529 0 . 1 . . . A 16 ALA C . 11591 1
152 . 1 1 16 16 ALA HA H 1 4.154 0.011 . 1 . . . A 16 ALA HA . 11591 1
153 . 1 1 16 16 ALA H H 1 8.348 0.001 . 1 . . . A 16 ALA H . 11591 1
154 . 1 1 16 16 ALA N N 15 122.492 0.016 . 1 . . . A 16 ALA N . 11591 1
155 . 1 1 16 16 ALA HB1 H 1 1.27 0.015 . 1 . . . A 16 ALA HB1 . 11591 1
156 . 1 1 16 16 ALA HB2 H 1 1.27 0.015 . 1 . . . A 16 ALA HB2 . 11591 1
157 . 1 1 16 16 ALA HB3 H 1 1.27 0.015 . 1 . . . A 16 ALA HB3 . 11591 1
158 . 1 1 17 17 GLY CA C 13 44.562 0.183 . 1 . . . A 17 GLY CA . 11591 1
159 . 1 1 17 17 GLY C C 13 173.533 0.003 . 1 . . . A 17 GLY C . 11591 1
160 . 1 1 17 17 GLY H H 1 9.257 0.006 . 1 . . . A 17 GLY H . 11591 1
161 . 1 1 17 17 GLY HA2 H 1 3.86 0.009 . 2 . . . A 17 GLY HA2 . 11591 1
162 . 1 1 17 17 GLY HA3 H 1 3.35 0.011 . 2 . . . A 17 GLY HA3 . 11591 1
163 . 1 1 17 17 GLY N N 15 112.883 0.062 . 1 . . . A 17 GLY N . 11591 1
164 . 1 1 18 18 PHE CA C 13 56.678 0.131 . 1 . . . A 18 PHE CA . 11591 1
165 . 1 1 18 18 PHE CB C 13 39.673 0.059 . 1 . . . A 18 PHE CB . 11591 1
166 . 1 1 18 18 PHE CD1 C 13 132.341 0 . 1 . . . A 18 PHE CD1 . 11591 1
167 . 1 1 18 18 PHE C C 13 175.201 0.019 . 1 . . . A 18 PHE C . 11591 1
168 . 1 1 18 18 PHE HA H 1 5.66 0.014 . 1 . . . A 18 PHE HA . 11591 1
169 . 1 1 18 18 PHE HB2 H 1 3.631 0.025 . 2 . . . A 18 PHE HB2 . 11591 1
170 . 1 1 18 18 PHE HB3 H 1 2.586 0.02 . 2 . . . A 18 PHE HB3 . 11591 1
171 . 1 1 18 18 PHE HD1 H 1 6.792 0.013 . 1 . . . A 18 PHE HD1 . 11591 1
172 . 1 1 18 18 PHE H H 1 7.508 0.001 . 1 . . . A 18 PHE H . 11591 1
173 . 1 1 18 18 PHE N N 15 119.02 0.057 . 1 . . . A 18 PHE N . 11591 1
174 . 1 1 19 19 GLU CA C 13 59.13 0.097 . 1 . . . A 19 GLU CA . 11591 1
175 . 1 1 19 19 GLU CB C 13 29.308 0.064 . 1 . . . A 19 GLU CB . 11591 1
176 . 1 1 19 19 GLU CG C 13 36.632 0.063 . 1 . . . A 19 GLU CG . 11591 1
177 . 1 1 19 19 GLU C C 13 177.048 0.01 . 1 . . . A 19 GLU C . 11591 1
178 . 1 1 19 19 GLU HA H 1 4.174 0.018 . 1 . . . A 19 GLU HA . 11591 1
179 . 1 1 19 19 GLU HB2 H 1 2.197 0.01 . 2 . . . A 19 GLU HB2 . 11591 1
180 . 1 1 19 19 GLU H H 1 8.543 0.001 . 1 . . . A 19 GLU H . 11591 1
181 . 1 1 19 19 GLU N N 15 115.527 0.052 . 1 . . . A 19 GLU N . 11591 1
182 . 1 1 20 20 ALA CA C 13 54.998 0.139 . 1 . . . A 20 ALA CA . 11591 1
183 . 1 1 20 20 ALA CB C 13 18.101 0.091 . 1 . . . A 20 ALA CB . 11591 1
184 . 1 1 20 20 ALA C C 13 178.746 0.005 . 1 . . . A 20 ALA C . 11591 1
185 . 1 1 20 20 ALA HA H 1 3.91 0.025 . 1 . . . A 20 ALA HA . 11591 1
186 . 1 1 20 20 ALA H H 1 8.608 0 . 1 . . . A 20 ALA H . 11591 1
187 . 1 1 20 20 ALA N N 15 123.05 0.065 . 1 . . . A 20 ALA N . 11591 1
188 . 1 1 20 20 ALA HB1 H 1 1.002 0.032 . 1 . . . A 20 ALA HB1 . 11591 1
189 . 1 1 20 20 ALA HB2 H 1 1.002 0.032 . 1 . . . A 20 ALA HB2 . 11591 1
190 . 1 1 20 20 ALA HB3 H 1 1.002 0.032 . 1 . . . A 20 ALA HB3 . 11591 1
191 . 1 1 21 21 SER CA C 13 60.408 0.133 . 1 . . . A 21 SER CA . 11591 1
192 . 1 1 21 21 SER CB C 13 62.307 0.071 . 1 . . . A 21 SER CB . 11591 1
193 . 1 1 21 21 SER C C 13 177.01 0 . 1 . . . A 21 SER C . 11591 1
194 . 1 1 21 21 SER HA H 1 3.983 0.013 . 1 . . . A 21 SER HA . 11591 1
195 . 1 1 21 21 SER H H 1 7.941 0 . 1 . . . A 21 SER H . 11591 1
196 . 1 1 21 21 SER N N 15 108.629 0.037 . 1 . . . A 21 SER N . 11591 1
197 . 1 1 21 21 SER HB2 H 1 4.158 0.023 . 1 . . . A 21 SER HB2 . 11591 1
198 . 1 1 21 21 SER HB3 H 1 4.158 0.023 . 1 . . . A 21 SER HB3 . 11591 1
199 . 1 1 22 22 ARG CA C 13 56.329 0.127 . 1 . . . A 22 ARG CA . 11591 1
200 . 1 1 22 22 ARG CB C 13 29.281 0.212 . 1 . . . A 22 ARG CB . 11591 1
201 . 1 1 22 22 ARG CD C 13 41.054 0 . 1 . . . A 22 ARG CD . 11591 1
202 . 1 1 22 22 ARG CG C 13 26.111 0.074 . 1 . . . A 22 ARG CG . 11591 1
203 . 1 1 22 22 ARG C C 13 177.926 0.01 . 1 . . . A 22 ARG C . 11591 1
204 . 1 1 22 22 ARG HA H 1 4.04 0.013 . 1 . . . A 22 ARG HA . 11591 1
205 . 1 1 22 22 ARG HB2 H 1 1.935 0.067 . 2 . . . A 22 ARG HB2 . 11591 1
206 . 1 1 22 22 ARG HB3 H 1 1.603 0.026 . 2 . . . A 22 ARG HB3 . 11591 1
207 . 1 1 22 22 ARG HD2 H 1 3.123 0.007 . 2 . . . A 22 ARG HD2 . 11591 1
208 . 1 1 22 22 ARG HG2 H 1 1.558 0.01 . 2 . . . A 22 ARG HG2 . 11591 1
209 . 1 1 22 22 ARG HG3 H 1 1.946 0.007 . 2 . . . A 22 ARG HG3 . 11591 1
210 . 1 1 22 22 ARG H H 1 7.995 0.002 . 1 . . . A 22 ARG H . 11591 1
211 . 1 1 22 22 ARG N N 15 119.921 0.064 . 1 . . . A 22 ARG N . 11591 1
212 . 1 1 23 23 ALA CA C 13 52.178 0.065 . 1 . . . A 23 ALA CA . 11591 1
213 . 1 1 23 23 ALA CB C 13 17.733 0.077 . 1 . . . A 23 ALA CB . 11591 1
214 . 1 1 23 23 ALA C C 13 173.539 0.01 . 1 . . . A 23 ALA C . 11591 1
215 . 1 1 23 23 ALA HA H 1 4.378 0.015 . 1 . . . A 23 ALA HA . 11591 1
216 . 1 1 23 23 ALA H H 1 7.95 0.001 . 1 . . . A 23 ALA H . 11591 1
217 . 1 1 23 23 ALA N N 15 124.74 0.089 . 1 . . . A 23 ALA N . 11591 1
218 . 1 1 23 23 ALA HB1 H 1 0.845 0.02 . 1 . . . A 23 ALA HB1 . 11591 1
219 . 1 1 23 23 ALA HB2 H 1 0.845 0.02 . 1 . . . A 23 ALA HB2 . 11591 1
220 . 1 1 23 23 ALA HB3 H 1 0.845 0.02 . 1 . . . A 23 ALA HB3 . 11591 1
221 . 1 1 24 24 PHE CA C 13 56.069 0.111 . 1 . . . A 24 PHE CA . 11591 1
222 . 1 1 24 24 PHE CB C 13 39.72 0.171 . 1 . . . A 24 PHE CB . 11591 1
223 . 1 1 24 24 PHE CD1 C 13 133.555 0.004 . 1 . . . A 24 PHE CD1 . 11591 1
224 . 1 1 24 24 PHE CE1 C 13 130.362 0.004 . 1 . . . A 24 PHE CE1 . 11591 1
225 . 1 1 24 24 PHE C C 13 175.842 0.009 . 1 . . . A 24 PHE C . 11591 1
226 . 1 1 24 24 PHE CZ C 13 129.74 0.148 . 1 . . . A 24 PHE CZ . 11591 1
227 . 1 1 24 24 PHE HA H 1 5.466 0.015 . 1 . . . A 24 PHE HA . 11591 1
228 . 1 1 24 24 PHE HB2 H 1 3.906 0.007 . 2 . . . A 24 PHE HB2 . 11591 1
229 . 1 1 24 24 PHE HB3 H 1 2.368 0.012 . 2 . . . A 24 PHE HB3 . 11591 1
230 . 1 1 24 24 PHE H H 1 7.205 0.001 . 1 . . . A 24 PHE H . 11591 1
231 . 1 1 24 24 PHE HZ H 1 6.693 0.014 . 1 . . . A 24 PHE HZ . 11591 1
232 . 1 1 24 24 PHE N N 15 115.93 0.072 . 1 . . . A 24 PHE N . 11591 1
233 . 1 1 24 24 PHE HD1 H 1 7.061 0.021 . 1 . . . A 24 PHE HD1 . 11591 1
234 . 1 1 24 24 PHE HD2 H 1 7.061 0.021 . 1 . . . A 24 PHE HD2 . 11591 1
235 . 1 1 24 24 PHE HE1 H 1 6.145 0.013 . 1 . . . A 24 PHE HE1 . 11591 1
236 . 1 1 24 24 PHE HE2 H 1 6.145 0.013 . 1 . . . A 24 PHE HE2 . 11591 1
237 . 1 1 25 25 ASP CA C 13 52.022 0.085 . 1 . . . A 25 ASP CA . 11591 1
238 . 1 1 25 25 ASP CB C 13 40.928 0.125 . 1 . . . A 25 ASP CB . 11591 1
239 . 1 1 25 25 ASP C C 13 177.857 0.006 . 1 . . . A 25 ASP C . 11591 1
240 . 1 1 25 25 ASP HA H 1 4.923 0.01 . 1 . . . A 25 ASP HA . 11591 1
241 . 1 1 25 25 ASP HB2 H 1 3.087 0.042 . 2 . . . A 25 ASP HB2 . 11591 1
242 . 1 1 25 25 ASP HB3 H 1 2.581 0.017 . 2 . . . A 25 ASP HB3 . 11591 1
243 . 1 1 25 25 ASP H H 1 8.257 0.003 . 1 . . . A 25 ASP H . 11591 1
244 . 1 1 25 25 ASP N N 15 117.882 0.07 . 1 . . . A 25 ASP N . 11591 1
245 . 1 1 26 26 GLY CA C 13 45.647 0.094 . 1 . . . A 26 GLY CA . 11591 1
246 . 1 1 26 26 GLY C C 13 173.586 0.016 . 1 . . . A 26 GLY C . 11591 1
247 . 1 1 26 26 GLY HA2 H 1 3.876 0.012 . 2 . . . A 26 GLY HA2 . 11591 1
248 . 1 1 26 26 GLY HA3 H 1 3.573 0.139 . 2 . . . A 26 GLY HA3 . 11591 1
249 . 1 1 26 26 GLY H H 1 9.318 0.002 . 1 . . . A 26 GLY H . 11591 1
250 . 1 1 26 26 GLY N N 15 113.407 0.056 . 1 . . . A 26 GLY N . 11591 1
251 . 1 1 27 27 SER CA C 13 55.232 0.13 . 1 . . . A 27 SER CA . 11591 1
252 . 1 1 27 27 SER CB C 13 62.883 0.117 . 1 . . . A 27 SER CB . 11591 1
253 . 1 1 27 27 SER C C 13 177.881 0 . 1 . . . A 27 SER C . 11591 1
254 . 1 1 27 27 SER HA H 1 4.943 0.03 . 1 . . . A 27 SER HA . 11591 1
255 . 1 1 27 27 SER HB2 H 1 3.893 0.006 . 2 . . . A 27 SER HB2 . 11591 1
256 . 1 1 27 27 SER HB3 H 1 3.572 0.016 . 2 . . . A 27 SER HB3 . 11591 1
257 . 1 1 27 27 SER H H 1 7.728 0.004 . 1 . . . A 27 SER H . 11591 1
258 . 1 1 27 27 SER N N 15 111.779 0.024 . 1 . . . A 27 SER N . 11591 1
259 . 1 1 28 28 SER CA C 13 59.808 0.03 . 1 . . . A 28 SER CA . 11591 1
260 . 1 1 28 28 SER CB C 13 62.122 0.012 . 1 . . . A 28 SER CB . 11591 1
261 . 1 1 28 28 SER C C 13 170.941 0 . 1 . . . A 28 SER C . 11591 1
262 . 1 1 28 28 SER H H 1 9.784 0 . 1 . . . A 28 SER H . 11591 1
263 . 1 1 28 28 SER HA H 1 4.192 0.011 . 1 . . . A 28 SER HA . 11591 1
264 . 1 1 28 28 SER HB2 H 1 3.666 0.042 . 2 . . . A 28 SER HB2 . 11591 1
265 . 1 1 28 28 SER HB3 H 1 3.582 0.022 . 2 . . . A 28 SER HB3 . 11591 1
266 . 1 1 28 28 SER N N 15 130.08 0 . 1 . . . A 28 SER N . 11591 1
267 . 1 1 29 29 THR CA C 13 61.926 0.217 . 1 . . . A 29 THR CA . 11591 1
268 . 1 1 29 29 THR CB C 13 67.869 0.149 . 1 . . . A 29 THR CB . 11591 1
269 . 1 1 29 29 THR CG2 C 13 21.246 0.095 . 1 . . . A 29 THR CG2 . 11591 1
270 . 1 1 29 29 THR C C 13 174.836 0.003 . 1 . . . A 29 THR C . 11591 1
271 . 1 1 29 29 THR HA H 1 4.193 0.009 . 1 . . . A 29 THR HA . 11591 1
272 . 1 1 29 29 THR HB H 1 4.434 0.006 . 1 . . . A 29 THR HB . 11591 1
273 . 1 1 29 29 THR H H 1 8.081 0.001 . 1 . . . A 29 THR H . 11591 1
274 . 1 1 29 29 THR N N 15 106.702 0.035 . 1 . . . A 29 THR N . 11591 1
275 . 1 1 29 29 THR HG21 H 1 0.846 0.012 . 1 . . . A 29 THR HG21 . 11591 1
276 . 1 1 29 29 THR HG22 H 1 0.846 0.012 . 1 . . . A 29 THR HG22 . 11591 1
277 . 1 1 29 29 THR HG23 H 1 0.846 0.012 . 1 . . . A 29 THR HG23 . 11591 1
278 . 1 1 30 30 THR CA C 13 57.987 0.061 . 1 . . . A 30 THR CA . 11591 1
279 . 1 1 30 30 THR CB C 13 71.159 0.132 . 1 . . . A 30 THR CB . 11591 1
280 . 1 1 30 30 THR CG2 C 13 21.539 0.019 . 1 . . . A 30 THR CG2 . 11591 1
281 . 1 1 30 30 THR C C 13 175.48 0.016 . 1 . . . A 30 THR C . 11591 1
282 . 1 1 30 30 THR HA H 1 4.927 0.02 . 1 . . . A 30 THR HA . 11591 1
283 . 1 1 30 30 THR HB H 1 4.237 0.016 . 1 . . . A 30 THR HB . 11591 1
284 . 1 1 30 30 THR H H 1 7.435 0.002 . 1 . . . A 30 THR H . 11591 1
285 . 1 1 30 30 THR N N 15 111.456 0.057 . 1 . . . A 30 THR N . 11591 1
286 . 1 1 30 30 THR HG21 H 1 1.174 0.017 . 1 . . . A 30 THR HG21 . 11591 1
287 . 1 1 30 30 THR HG22 H 1 1.174 0.017 . 1 . . . A 30 THR HG22 . 11591 1
288 . 1 1 30 30 THR HG23 H 1 1.174 0.017 . 1 . . . A 30 THR HG23 . 11591 1
289 . 1 1 31 31 ARG CA C 13 53.506 0.082 . 1 . . . A 31 ARG CA . 11591 1
290 . 1 1 31 31 ARG CB C 13 32.65 0.174 . 1 . . . A 31 ARG CB . 11591 1
291 . 1 1 31 31 ARG C C 13 174.739 0.002 . 1 . . . A 31 ARG C . 11591 1
292 . 1 1 31 31 ARG H H 1 10.328 0.013 . 1 . . . A 31 ARG H . 11591 1
293 . 1 1 31 31 ARG HA H 1 5.141 0.014 . 1 . . . A 31 ARG HA . 11591 1
294 . 1 1 31 31 ARG HB2 H 1 2.298 0.015 . 2 . . . A 31 ARG HB2 . 11591 1
295 . 1 1 31 31 ARG H H 1 10.33 0.001 . 1 . . . A 31 ARG H . 11591 1
296 . 1 1 31 31 ARG N N 15 126.096 0.056 . 1 . . . A 31 ARG N . 11591 1
297 . 1 1 32 32 TRP CA C 13 56.017 0.134 . 1 . . . A 32 TRP CA . 11591 1
298 . 1 1 32 32 TRP CB C 13 30.256 0.136 . 1 . . . A 32 TRP CB . 11591 1
299 . 1 1 32 32 TRP CD1 C 13 127.345 0.095 . 1 . . . A 32 TRP CD1 . 11591 1
300 . 1 1 32 32 TRP C C 13 177.428 0.033 . 1 . . . A 32 TRP C . 11591 1
301 . 1 1 32 32 TRP CZ2 C 13 114.498 0.046 . 1 . . . A 32 TRP CZ2 . 11591 1
302 . 1 1 32 32 TRP HA H 1 4.669 0.023 . 1 . . . A 32 TRP HA . 11591 1
303 . 1 1 32 32 TRP HB2 H 1 3.174 0.021 . 2 . . . A 32 TRP HB2 . 11591 1
304 . 1 1 32 32 TRP HB3 H 1 2.678 0.017 . 2 . . . A 32 TRP HB3 . 11591 1
305 . 1 1 32 32 TRP HD1 H 1 7.51 0.006 . 1 . . . A 32 TRP HD1 . 11591 1
306 . 1 1 32 32 TRP HE1 H 1 9.999 0.004 . 1 . . . A 32 TRP HE1 . 11591 1
307 . 1 1 32 32 TRP H H 1 7.485 0.001 . 1 . . . A 32 TRP H . 11591 1
308 . 1 1 32 32 TRP HZ2 H 1 7.075 0.01 . 1 . . . A 32 TRP HZ2 . 11591 1
309 . 1 1 32 32 TRP N N 15 118.961 0.079 . 1 . . . A 32 TRP N . 11591 1
310 . 1 1 32 32 TRP NE1 N 15 130.253 0.028 . 1 . . . A 32 TRP NE1 . 11591 1
311 . 1 1 33 33 ALA CA C 13 51.308 0.082 . 1 . . . A 33 ALA CA . 11591 1
312 . 1 1 33 33 ALA CB C 13 21.575 0.123 . 1 . . . A 33 ALA CB . 11591 1
313 . 1 1 33 33 ALA C C 13 174.704 0.004 . 1 . . . A 33 ALA C . 11591 1
314 . 1 1 33 33 ALA HA H 1 4.014 0.02 . 1 . . . A 33 ALA HA . 11591 1
315 . 1 1 33 33 ALA H H 1 7.753 0.003 . 1 . . . A 33 ALA H . 11591 1
316 . 1 1 33 33 ALA N N 15 135.712 0.032 . 1 . . . A 33 ALA N . 11591 1
317 . 1 1 33 33 ALA HB1 H 1 0.654 0.015 . 1 . . . A 33 ALA HB1 . 11591 1
318 . 1 1 33 33 ALA HB2 H 1 0.654 0.015 . 1 . . . A 33 ALA HB2 . 11591 1
319 . 1 1 33 33 ALA HB3 H 1 0.654 0.015 . 1 . . . A 33 ALA HB3 . 11591 1
320 . 1 1 34 34 SER CA C 13 57.231 0.137 . 1 . . . A 34 SER CA . 11591 1
321 . 1 1 34 34 SER CB C 13 65.996 0.184 . 1 . . . A 34 SER CB . 11591 1
322 . 1 1 34 34 SER C C 13 173.182 0.002 . 1 . . . A 34 SER C . 11591 1
323 . 1 1 34 34 SER HA H 1 4.051 0.012 . 1 . . . A 34 SER HA . 11591 1
324 . 1 1 34 34 SER HB2 H 1 3.784 0.014 . 2 . . . A 34 SER HB2 . 11591 1
325 . 1 1 34 34 SER HB3 H 1 3.417 0.01 . 2 . . . A 34 SER HB3 . 11591 1
326 . 1 1 34 34 SER H H 1 7.811 0.002 . 1 . . . A 34 SER H . 11591 1
327 . 1 1 34 34 SER N N 15 117.328 0.044 . 1 . . . A 34 SER N . 11591 1
328 . 1 1 35 35 ALA CA C 13 52.738 0.052 . 1 . . . A 35 ALA CA . 11591 1
329 . 1 1 35 35 ALA CB C 13 18.196 0.08 . 1 . . . A 35 ALA CB . 11591 1
330 . 1 1 35 35 ALA C C 13 179.335 0.04 . 1 . . . A 35 ALA C . 11591 1
331 . 1 1 35 35 ALA HA H 1 4.064 0.013 . 1 . . . A 35 ALA HA . 11591 1
332 . 1 1 35 35 ALA H H 1 8.292 0.001 . 1 . . . A 35 ALA H . 11591 1
333 . 1 1 35 35 ALA N N 15 118.691 0.06 . 1 . . . A 35 ALA N . 11591 1
334 . 1 1 35 35 ALA HB1 H 1 1.176 0.017 . 1 . . . A 35 ALA HB1 . 11591 1
335 . 1 1 35 35 ALA HB2 H 1 1.176 0.017 . 1 . . . A 35 ALA HB2 . 11591 1
336 . 1 1 35 35 ALA HB3 H 1 1.176 0.017 . 1 . . . A 35 ALA HB3 . 11591 1
337 . 1 1 36 36 GLU CA C 13 56.426 0.096 . 1 . . . A 36 GLU CA . 11591 1
338 . 1 1 36 36 GLU CB C 13 31.257 0.068 . 1 . . . A 36 GLU CB . 11591 1
339 . 1 1 36 36 GLU CG C 13 36.21 0.128 . 1 . . . A 36 GLU CG . 11591 1
340 . 1 1 36 36 GLU C C 13 176.954 0.008 . 1 . . . A 36 GLU C . 11591 1
341 . 1 1 36 36 GLU HA H 1 3.666 0.009 . 1 . . . A 36 GLU HA . 11591 1
342 . 1 1 36 36 GLU HB2 H 1 1.703 0.016 . 2 . . . A 36 GLU HB2 . 11591 1
343 . 1 1 36 36 GLU HG2 H 1 2.046 0.015 . 2 . . . A 36 GLU HG2 . 11591 1
344 . 1 1 36 36 GLU H H 1 8.949 0.001 . 1 . . . A 36 GLU H . 11591 1
345 . 1 1 36 36 GLU N N 15 123.701 0.034 . 1 . . . A 36 GLU N . 11591 1
346 . 1 1 37 37 GLY CA C 13 46.367 0.196 . 1 . . . A 37 GLY CA . 11591 1
347 . 1 1 37 37 GLY C C 13 173.848 0.006 . 1 . . . A 37 GLY C . 11591 1
348 . 1 1 37 37 GLY HA2 H 1 3.815 0.13 . 2 . . . A 37 GLY HA2 . 11591 1
349 . 1 1 37 37 GLY HA3 H 1 3.55 0.132 . 2 . . . A 37 GLY HA3 . 11591 1
350 . 1 1 37 37 GLY H H 1 7.354 0.001 . 1 . . . A 37 GLY H . 11591 1
351 . 1 1 37 37 GLY N N 15 107.322 0.045 . 1 . . . A 37 GLY N . 11591 1
352 . 1 1 38 38 VAL CA C 13 61.692 0.061 . 1 . . . A 38 VAL CA . 11591 1
353 . 1 1 38 38 VAL CB C 13 36.049 0.081 . 1 . . . A 38 VAL CB . 11591 1
354 . 1 1 38 38 VAL CG1 C 13 20.406 0.224 . 1 . . . A 38 VAL CG1 . 11591 1
355 . 1 1 38 38 VAL C C 13 174.413 0.005 . 1 . . . A 38 VAL C . 11591 1
356 . 1 1 38 38 VAL HA H 1 4.248 0.012 . 1 . . . A 38 VAL HA . 11591 1
357 . 1 1 38 38 VAL HB H 1 1.301 0.012 . 1 . . . A 38 VAL HB . 11591 1
358 . 1 1 38 38 VAL H H 1 8.136 0.002 . 1 . . . A 38 VAL H . 11591 1
359 . 1 1 38 38 VAL N N 15 118.967 0.086 . 1 . . . A 38 VAL N . 11591 1
360 . 1 1 38 38 VAL HG11 H 1 0.689 0.011 . 2 . . . A 38 VAL HG11 . 11591 1
361 . 1 1 38 38 VAL HG12 H 1 0.689 0.011 . 2 . . . A 38 VAL HG12 . 11591 1
362 . 1 1 38 38 VAL HG13 H 1 0.689 0.011 . 2 . . . A 38 VAL HG13 . 11591 1
363 . 1 1 38 38 VAL HG21 H 1 0.725 0.004 . 2 . . . A 38 VAL HG21 . 11591 1
364 . 1 1 38 38 VAL HG22 H 1 0.725 0.004 . 2 . . . A 38 VAL HG22 . 11591 1
365 . 1 1 38 38 VAL HG23 H 1 0.725 0.004 . 2 . . . A 38 VAL HG23 . 11591 1
366 . 1 1 39 39 ASP CA C 13 51.786 0.067 . 1 . . . A 39 ASP CA . 11591 1
367 . 1 1 39 39 ASP CB C 13 43.872 0.095 . 1 . . . A 39 ASP CB . 11591 1
368 . 1 1 39 39 ASP C C 13 173.693 0 . 1 . . . A 39 ASP C . 11591 1
369 . 1 1 39 39 ASP HA H 1 5.962 0.005 . 1 . . . A 39 ASP HA . 11591 1
370 . 1 1 39 39 ASP HB2 H 1 2.693 0.015 . 2 . . . A 39 ASP HB2 . 11591 1
371 . 1 1 39 39 ASP HB3 H 1 2.312 0.028 . 2 . . . A 39 ASP HB3 . 11591 1
372 . 1 1 39 39 ASP H H 1 8.956 0 . 1 . . . A 39 ASP H . 11591 1
373 . 1 1 39 39 ASP N N 15 129.581 0.08 . 1 . . . A 39 ASP N . 11591 1
374 . 1 1 40 40 PRO CA C 13 62.984 0.06 . 1 . . . A 40 PRO CA . 11591 1
375 . 1 1 40 40 PRO CB C 13 37.33 0.047 . 1 . . . A 40 PRO CB . 11591 1
376 . 1 1 40 40 PRO CD C 13 50.072 0.034 . 1 . . . A 40 PRO CD . 11591 1
377 . 1 1 40 40 PRO CG C 13 23.571 0.02 . 1 . . . A 40 PRO CG . 11591 1
378 . 1 1 40 40 PRO C C 13 175.779 0 . 1 . . . A 40 PRO C . 11591 1
379 . 1 1 40 40 PRO HA H 1 4.79 0.022 . 1 . . . A 40 PRO HA . 11591 1
380 . 1 1 40 40 PRO HB2 H 1 2.212 0.025 . 2 . . . A 40 PRO HB2 . 11591 1
381 . 1 1 40 40 PRO HB3 H 1 1.577 0.009 . 2 . . . A 40 PRO HB3 . 11591 1
382 . 1 1 40 40 PRO HD2 H 1 3.495 0.02 . 2 . . . A 40 PRO HD2 . 11591 1
383 . 1 1 40 40 PRO HD3 H 1 3.407 0.001 . 2 . . . A 40 PRO HD3 . 11591 1
384 . 1 1 40 40 PRO HG2 H 1 2.02 0.007 . 2 . . . A 40 PRO HG2 . 11591 1
385 . 1 1 40 40 PRO HG3 H 1 1.562 0.012 . 2 . . . A 40 PRO HG3 . 11591 1
386 . 1 1 41 41 GLN CA C 13 54.084 0.151 . 1 . . . A 41 GLN CA . 11591 1
387 . 1 1 41 41 GLN CB C 13 30.534 0.197 . 1 . . . A 41 GLN CB . 11591 1
388 . 1 1 41 41 GLN C C 13 172.67 0.008 . 1 . . . A 41 GLN C . 11591 1
389 . 1 1 41 41 GLN HA H 1 4.147 0.015 . 1 . . . A 41 GLN HA . 11591 1
390 . 1 1 41 41 GLN HB2 H 1 2.686 0.019 . 1 . . . A 41 GLN HB2 . 11591 1
391 . 1 1 41 41 GLN HE21 H 1 7.762 0.013 . 2 . . . A 41 GLN HE21 . 11591 1
392 . 1 1 41 41 GLN HE22 H 1 6.912 0.005 . 2 . . . A 41 GLN HE22 . 11591 1
393 . 1 1 41 41 GLN HG2 H 1 1.278 0.014 . 1 . . . A 41 GLN HG2 . 11591 1
394 . 1 1 41 41 GLN H H 1 8.029 0.001 . 1 . . . A 41 GLN H . 11591 1
395 . 1 1 41 41 GLN N N 15 112.108 0.046 . 1 . . . A 41 GLN N . 11591 1
396 . 1 1 41 41 GLN NE2 N 15 116.968 0.046 . 1 . . . A 41 GLN NE2 . 11591 1
397 . 1 1 42 42 TRP CA C 13 54.11 0.12 . 1 . . . A 42 TRP CA . 11591 1
398 . 1 1 42 42 TRP CB C 13 34.017 0.177 . 1 . . . A 42 TRP CB . 11591 1
399 . 1 1 42 42 TRP CD1 C 13 119.8 0.131 . 1 . . . A 42 TRP CD1 . 11591 1
400 . 1 1 42 42 TRP C C 13 173.365 0.01 . 1 . . . A 42 TRP C . 11591 1
401 . 1 1 42 42 TRP CZ2 C 13 115.319 0.048 . 1 . . . A 42 TRP CZ2 . 11591 1
402 . 1 1 42 42 TRP HA H 1 5.43 0.014 . 1 . . . A 42 TRP HA . 11591 1
403 . 1 1 42 42 TRP HB2 H 1 3.282 0.011 . 2 . . . A 42 TRP HB2 . 11591 1
404 . 1 1 42 42 TRP HB3 H 1 3.039 0.008 . 2 . . . A 42 TRP HB3 . 11591 1
405 . 1 1 42 42 TRP HD1 H 1 7.045 0.021 . 1 . . . A 42 TRP HD1 . 11591 1
406 . 1 1 42 42 TRP HE1 H 1 10.353 0.005 . 1 . . . A 42 TRP HE1 . 11591 1
407 . 1 1 42 42 TRP H H 1 8.922 0 . 1 . . . A 42 TRP H . 11591 1
408 . 1 1 42 42 TRP HZ2 H 1 7.429 0.006 . 1 . . . A 42 TRP HZ2 . 11591 1
409 . 1 1 42 42 TRP N N 15 113.33 0.057 . 1 . . . A 42 TRP N . 11591 1
410 . 1 1 42 42 TRP NE1 N 15 131.24 0.016 . 1 . . . A 42 TRP NE1 . 11591 1
411 . 1 1 43 43 ILE CA C 13 59.434 0.178 . 1 . . . A 43 ILE CA . 11591 1
412 . 1 1 43 43 ILE CB C 13 39.824 0.145 . 1 . . . A 43 ILE CB . 11591 1
413 . 1 1 43 43 ILE CD1 C 13 15.056 0.079 . 1 . . . A 43 ILE CD1 . 11591 1
414 . 1 1 43 43 ILE CG1 C 13 27.83 0.057 . 1 . . . A 43 ILE CG1 . 11591 1
415 . 1 1 43 43 ILE CG2 C 13 14.903 0.026 . 1 . . . A 43 ILE CG2 . 11591 1
416 . 1 1 43 43 ILE C C 13 172.836 0.008 . 1 . . . A 43 ILE C . 11591 1
417 . 1 1 43 43 ILE HA H 1 4.846 0.012 . 1 . . . A 43 ILE HA . 11591 1
418 . 1 1 43 43 ILE HB H 1 0.191 0.02 . 1 . . . A 43 ILE HB . 11591 1
419 . 1 1 43 43 ILE H H 1 8.555 0.002 . 1 . . . A 43 ILE H . 11591 1
420 . 1 1 43 43 ILE N N 15 115.853 0.045 . 1 . . . A 43 ILE N . 11591 1
421 . 1 1 43 43 ILE HD11 H 1 0.078 0.017 . 1 . . . A 43 ILE HD11 . 11591 1
422 . 1 1 43 43 ILE HD12 H 1 0.078 0.017 . 1 . . . A 43 ILE HD12 . 11591 1
423 . 1 1 43 43 ILE HD13 H 1 0.078 0.017 . 1 . . . A 43 ILE HD13 . 11591 1
424 . 1 1 43 43 ILE HG21 H 1 0.514 0.014 . 1 . . . A 43 ILE HG21 . 11591 1
425 . 1 1 43 43 ILE HG22 H 1 0.514 0.014 . 1 . . . A 43 ILE HG22 . 11591 1
426 . 1 1 43 43 ILE HG23 H 1 0.514 0.014 . 1 . . . A 43 ILE HG23 . 11591 1
427 . 1 1 44 44 TYR CA C 13 55.118 0.066 . 1 . . . A 44 TYR CA . 11591 1
428 . 1 1 44 44 TYR CB C 13 43.903 0.255 . 1 . . . A 44 TYR CB . 11591 1
429 . 1 1 44 44 TYR C C 13 171.256 0.001 . 1 . . . A 44 TYR C . 11591 1
430 . 1 1 44 44 TYR HA H 1 6.139 0.011 . 1 . . . A 44 TYR HA . 11591 1
431 . 1 1 44 44 TYR HB2 H 1 3.313 0.012 . 2 . . . A 44 TYR HB2 . 11591 1
432 . 1 1 44 44 TYR HB3 H 1 2.289 0.009 . 2 . . . A 44 TYR HB3 . 11591 1
433 . 1 1 44 44 TYR H H 1 9.662 0.001 . 1 . . . A 44 TYR H . 11591 1
434 . 1 1 44 44 TYR N N 15 124.145 0.033 . 1 . . . A 44 TYR N . 11591 1
435 . 1 1 45 45 VAL CA C 13 57.534 0.117 . 1 . . . A 45 VAL CA . 11591 1
436 . 1 1 45 45 VAL CB C 13 34.363 0.112 . 1 . . . A 45 VAL CB . 11591 1
437 . 1 1 45 45 VAL CG1 C 13 22.483 0.092 . 1 . . . A 45 VAL CG1 . 11591 1
438 . 1 1 45 45 VAL CG2 C 13 17.085 0.061 . 1 . . . A 45 VAL CG2 . 11591 1
439 . 1 1 45 45 VAL C C 13 172.163 0.003 . 1 . . . A 45 VAL C . 11591 1
440 . 1 1 45 45 VAL HA H 1 4.482 0.014 . 1 . . . A 45 VAL HA . 11591 1
441 . 1 1 45 45 VAL HB H 1 0.839 0.023 . 1 . . . A 45 VAL HB . 11591 1
442 . 1 1 45 45 VAL H H 1 8.608 0 . 1 . . . A 45 VAL H . 11591 1
443 . 1 1 45 45 VAL N N 15 117.495 0.048 . 1 . . . A 45 VAL N . 11591 1
444 . 1 1 45 45 VAL HG11 H 1 0.024 0.014 . 2 . . . A 45 VAL HG11 . 11591 1
445 . 1 1 45 45 VAL HG12 H 1 0.024 0.014 . 2 . . . A 45 VAL HG12 . 11591 1
446 . 1 1 45 45 VAL HG13 H 1 0.024 0.014 . 2 . . . A 45 VAL HG13 . 11591 1
447 . 1 1 45 45 VAL HG21 H 1 0.4 0.094 . 2 . . . A 45 VAL HG21 . 11591 1
448 . 1 1 45 45 VAL HG22 H 1 0.4 0.094 . 2 . . . A 45 VAL HG22 . 11591 1
449 . 1 1 45 45 VAL HG23 H 1 0.4 0.094 . 2 . . . A 45 VAL HG23 . 11591 1
450 . 1 1 46 46 ASN CA C 13 50.398 0.126 . 1 . . . A 46 ASN CA . 11591 1
451 . 1 1 46 46 ASN CB C 13 39.072 0.123 . 1 . . . A 46 ASN CB . 11591 1
452 . 1 1 46 46 ASN C C 13 175.542 0.023 . 1 . . . A 46 ASN C . 11591 1
453 . 1 1 46 46 ASN HA H 1 4.754 0.027 . 1 . . . A 46 ASN HA . 11591 1
454 . 1 1 46 46 ASN HB2 H 1 3.085 0.016 . 2 . . . A 46 ASN HB2 . 11591 1
455 . 1 1 46 46 ASN HB3 H 1 2.654 0.026 . 2 . . . A 46 ASN HB3 . 11591 1
456 . 1 1 46 46 ASN HD21 H 1 7.427 0.003 . 2 . . . A 46 ASN HD21 . 11591 1
457 . 1 1 46 46 ASN HD22 H 1 6.553 0.005 . 2 . . . A 46 ASN HD22 . 11591 1
458 . 1 1 46 46 ASN H H 1 7.925 0.001 . 1 . . . A 46 ASN H . 11591 1
459 . 1 1 46 46 ASN N N 15 124.23 0.041 . 1 . . . A 46 ASN N . 11591 1
460 . 1 1 46 46 ASN ND2 N 15 106.991 0.024 . 1 . . . A 46 ASN ND2 . 11591 1
461 . 1 1 47 47 LEU CA C 13 56.134 0.125 . 1 . . . A 47 LEU CA . 11591 1
462 . 1 1 47 47 LEU CB C 13 41.177 0.117 . 1 . . . A 47 LEU CB . 11591 1
463 . 1 1 47 47 LEU CD1 C 13 25.771 0.073 . 1 . . . A 47 LEU CD1 . 11591 1
464 . 1 1 47 47 LEU CD2 C 13 22.016 0.079 . 1 . . . A 47 LEU CD2 . 11591 1
465 . 1 1 47 47 LEU CG C 13 22.869 0 . 1 . . . A 47 LEU CG . 11591 1
466 . 1 1 47 47 LEU C C 13 178.398 0 . 1 . . . A 47 LEU C . 11591 1
467 . 1 1 47 47 LEU HA H 1 3.743 0.014 . 1 . . . A 47 LEU HA . 11591 1
468 . 1 1 47 47 LEU HB2 H 1 1.941 0.023 . 2 . . . A 47 LEU HB2 . 11591 1
469 . 1 1 47 47 LEU HB3 H 1 1.463 0.017 . 2 . . . A 47 LEU HB3 . 11591 1
470 . 1 1 47 47 LEU HG H 1 0.934 0.022 . 1 . . . A 47 LEU HG . 11591 1
471 . 1 1 47 47 LEU H H 1 9.342 0.002 . 1 . . . A 47 LEU H . 11591 1
472 . 1 1 47 47 LEU N N 15 122.386 0.049 . 1 . . . A 47 LEU N . 11591 1
473 . 1 1 47 47 LEU HD11 H 1 0.61 0.016 . 2 . . . A 47 LEU HD11 . 11591 1
474 . 1 1 47 47 LEU HD12 H 1 0.61 0.016 . 2 . . . A 47 LEU HD12 . 11591 1
475 . 1 1 47 47 LEU HD13 H 1 0.61 0.016 . 2 . . . A 47 LEU HD13 . 11591 1
476 . 1 1 47 47 LEU HD21 H 1 0.407 0.012 . 2 . . . A 47 LEU HD21 . 11591 1
477 . 1 1 47 47 LEU HD22 H 1 0.407 0.012 . 2 . . . A 47 LEU HD22 . 11591 1
478 . 1 1 47 47 LEU HD23 H 1 0.407 0.012 . 2 . . . A 47 LEU HD23 . 11591 1
479 . 1 1 48 48 GLY CA C 13 45.524 0.089 . 1 . . . A 48 GLY CA . 11591 1
480 . 1 1 48 48 GLY C C 13 173.027 0.007 . 1 . . . A 48 GLY C . 11591 1
481 . 1 1 48 48 GLY HA2 H 1 4.22 0.015 . 2 . . . A 48 GLY HA2 . 11591 1
482 . 1 1 48 48 GLY HA3 H 1 3.193 0.009 . 2 . . . A 48 GLY HA3 . 11591 1
483 . 1 1 48 48 GLY H H 1 8.658 0 . 1 . . . A 48 GLY H . 11591 1
484 . 1 1 48 48 GLY N N 15 108.598 0.05 . 1 . . . A 48 GLY N . 11591 1
485 . 1 1 49 49 SER CA C 13 56.455 0.137 . 1 . . . A 49 SER CA . 11591 1
486 . 1 1 49 49 SER CB C 13 63.761 0.148 . 1 . . . A 49 SER CB . 11591 1
487 . 1 1 49 49 SER C C 13 172.665 0.008 . 1 . . . A 49 SER C . 11591 1
488 . 1 1 49 49 SER HA H 1 4.231 0.015 . 1 . . . A 49 SER HA . 11591 1
489 . 1 1 49 49 SER HB2 H 1 3.904 0.016 . 2 . . . A 49 SER HB2 . 11591 1
490 . 1 1 49 49 SER HB3 H 1 3.692 0.01 . 2 . . . A 49 SER HB3 . 11591 1
491 . 1 1 49 49 SER H H 1 7.352 0 . 1 . . . A 49 SER H . 11591 1
492 . 1 1 49 49 SER N N 15 112.064 0.027 . 1 . . . A 49 SER N . 11591 1
493 . 1 1 50 50 SER CA C 13 60.094 0.094 . 1 . . . A 50 SER CA . 11591 1
494 . 1 1 50 50 SER CB C 13 62.292 0.073 . 1 . . . A 50 SER CB . 11591 1
495 . 1 1 50 50 SER C C 13 174.126 0 . 1 . . . A 50 SER C . 11591 1
496 . 1 1 50 50 SER HA H 1 4.075 0.015 . 1 . . . A 50 SER HA . 11591 1
497 . 1 1 50 50 SER H H 1 8.505 0 . 1 . . . A 50 SER H . 11591 1
498 . 1 1 50 50 SER N N 15 116.218 0.051 . 1 . . . A 50 SER N . 11591 1
499 . 1 1 50 50 SER HB2 H 1 3.506 0.009 . 1 . . . A 50 SER HB2 . 11591 1
500 . 1 1 50 50 SER HB3 H 1 3.506 0.009 . 1 . . . A 50 SER HB3 . 11591 1
501 . 1 1 51 51 GLN CA C 13 53.574 0.138 . 1 . . . A 51 GLN CA . 11591 1
502 . 1 1 51 51 GLN CB C 13 32.895 0.062 . 1 . . . A 51 GLN CB . 11591 1
503 . 1 1 51 51 GLN C C 13 174.156 0.001 . 1 . . . A 51 GLN C . 11591 1
504 . 1 1 51 51 GLN H H 1 8.779 0.01 . 1 . . . A 51 GLN H . 11591 1
505 . 1 1 51 51 GLN HA H 1 4.593 0.02 . 1 . . . A 51 GLN HA . 11591 1
506 . 1 1 51 51 GLN HB2 H 1 1.978 0.016 . 2 . . . A 51 GLN HB2 . 11591 1
507 . 1 1 51 51 GLN HB3 H 1 1.685 0.017 . 2 . . . A 51 GLN HB3 . 11591 1
508 . 1 1 51 51 GLN HE21 H 1 7.047 0.007 . 2 . . . A 51 GLN HE21 . 11591 1
509 . 1 1 51 51 GLN HE22 H 1 6.241 0.005 . 2 . . . A 51 GLN HE22 . 11591 1
510 . 1 1 51 51 GLN HG2 H 1 2.311 0.018 . 1 . . . A 51 GLN HG2 . 11591 1
511 . 1 1 51 51 GLN N N 15 126.06 0.056 . 1 . . . A 51 GLN N . 11591 1
512 . 1 1 51 51 GLN NE2 N 15 110.073 0.01 . 1 . . . A 51 GLN NE2 . 11591 1
513 . 1 1 52 52 THR CA C 13 63.813 0.11 . 1 . . . A 52 THR CA . 11591 1
514 . 1 1 52 52 THR CB C 13 68.69 0.096 . 1 . . . A 52 THR CB . 11591 1
515 . 1 1 52 52 THR CG2 C 13 22.56 0.148 . 1 . . . A 52 THR CG2 . 11591 1
516 . 1 1 52 52 THR C C 13 173.559 0.012 . 1 . . . A 52 THR C . 11591 1
517 . 1 1 52 52 THR HA H 1 4.384 0.008 . 1 . . . A 52 THR HA . 11591 1
518 . 1 1 52 52 THR HB H 1 3.914 0.007 . 1 . . . A 52 THR HB . 11591 1
519 . 1 1 52 52 THR H H 1 8.377 0 . 1 . . . A 52 THR H . 11591 1
520 . 1 1 52 52 THR N N 15 118.237 0.074 . 1 . . . A 52 THR N . 11591 1
521 . 1 1 52 52 THR HG21 H 1 1.054 0.018 . 1 . . . A 52 THR HG21 . 11591 1
522 . 1 1 52 52 THR HG22 H 1 1.054 0.018 . 1 . . . A 52 THR HG22 . 11591 1
523 . 1 1 52 52 THR HG23 H 1 1.054 0.018 . 1 . . . A 52 THR HG23 . 11591 1
524 . 1 1 53 53 VAL CA C 13 59.756 0.162 . 1 . . . A 53 VAL CA . 11591 1
525 . 1 1 53 53 VAL CB C 13 35.853 0.15 . 1 . . . A 53 VAL CB . 11591 1
526 . 1 1 53 53 VAL CG1 C 13 21.067 0.136 . 1 . . . A 53 VAL CG1 . 11591 1
527 . 1 1 53 53 VAL C C 13 174.466 0.008 . 1 . . . A 53 VAL C . 11591 1
528 . 1 1 53 53 VAL HA H 1 4.671 0.016 . 1 . . . A 53 VAL HA . 11591 1
529 . 1 1 53 53 VAL HB H 1 1.989 0.019 . 1 . . . A 53 VAL HB . 11591 1
530 . 1 1 53 53 VAL H H 1 8.931 0.002 . 1 . . . A 53 VAL H . 11591 1
531 . 1 1 53 53 VAL N N 15 121.529 0.031 . 1 . . . A 53 VAL N . 11591 1
532 . 1 1 53 53 VAL HG11 H 1 0.838 0.006 . 1 . . . A 53 VAL HG11 . 11591 1
533 . 1 1 53 53 VAL HG12 H 1 0.838 0.006 . 1 . . . A 53 VAL HG12 . 11591 1
534 . 1 1 53 53 VAL HG13 H 1 0.838 0.006 . 1 . . . A 53 VAL HG13 . 11591 1
535 . 1 1 54 54 ASN CA C 13 52.037 0.117 . 1 . . . A 54 ASN CA . 11591 1
536 . 1 1 54 54 ASN CB C 13 40.372 0.046 . 1 . . . A 54 ASN CB . 11591 1
537 . 1 1 54 54 ASN C C 13 172.658 0.003 . 1 . . . A 54 ASN C . 11591 1
538 . 1 1 54 54 ASN HA H 1 4.006 0.024 . 1 . . . A 54 ASN HA . 11591 1
539 . 1 1 54 54 ASN HB2 H 1 3.225 0.01 . 2 . . . A 54 ASN HB2 . 11591 1
540 . 1 1 54 54 ASN HB3 H 1 2.226 0.019 . 2 . . . A 54 ASN HB3 . 11591 1
541 . 1 1 54 54 ASN HD21 H 1 6.971 0.008 . 2 . . . A 54 ASN HD21 . 11591 1
542 . 1 1 54 54 ASN HD22 H 1 6.16 0.01 . 2 . . . A 54 ASN HD22 . 11591 1
543 . 1 1 54 54 ASN H H 1 9.261 0 . 1 . . . A 54 ASN H . 11591 1
544 . 1 1 54 54 ASN N N 15 119.064 0.058 . 1 . . . A 54 ASN N . 11591 1
545 . 1 1 54 54 ASN ND2 N 15 108.231 0.02 . 1 . . . A 54 ASN ND2 . 11591 1
546 . 1 1 55 55 ARG CA C 13 54.62 0.098 . 1 . . . A 55 ARG CA . 11591 1
547 . 1 1 55 55 ARG CB C 13 33.04 0.061 . 1 . . . A 55 ARG CB . 11591 1
548 . 1 1 55 55 ARG C C 13 174.31 0.008 . 1 . . . A 55 ARG C . 11591 1
549 . 1 1 55 55 ARG HA H 1 5.133 0.014 . 1 . . . A 55 ARG HA . 11591 1
550 . 1 1 55 55 ARG HB2 H 1 1.674 0.017 . 2 . . . A 55 ARG HB2 . 11591 1
551 . 1 1 55 55 ARG HB3 H 1 1.365 0.01 . 2 . . . A 55 ARG HB3 . 11591 1
552 . 1 1 55 55 ARG H H 1 7.478 0 . 1 . . . A 55 ARG H . 11591 1
553 . 1 1 55 55 ARG N N 15 120.216 0.041 . 1 . . . A 55 ARG N . 11591 1
554 . 1 1 56 56 VAL CA C 13 59.757 0.128 . 1 . . . A 56 VAL CA . 11591 1
555 . 1 1 56 56 VAL CB C 13 37.118 0.127 . 1 . . . A 56 VAL CB . 11591 1
556 . 1 1 56 56 VAL CG1 C 13 21.699 0.133 . 1 . . . A 56 VAL CG1 . 11591 1
557 . 1 1 56 56 VAL C C 13 173.071 0 . 1 . . . A 56 VAL C . 11591 1
558 . 1 1 56 56 VAL HA H 1 5.197 0.02 . 1 . . . A 56 VAL HA . 11591 1
559 . 1 1 56 56 VAL HB H 1 1.852 0.014 . 1 . . . A 56 VAL HB . 11591 1
560 . 1 1 56 56 VAL H H 1 9.176 0.002 . 1 . . . A 56 VAL H . 11591 1
561 . 1 1 56 56 VAL N N 15 125.73 0.068 . 1 . . . A 56 VAL N . 11591 1
562 . 1 1 56 56 VAL HG11 H 1 0.848 0.027 . 1 . . . A 56 VAL HG11 . 11591 1
563 . 1 1 56 56 VAL HG12 H 1 0.848 0.027 . 1 . . . A 56 VAL HG12 . 11591 1
564 . 1 1 56 56 VAL HG13 H 1 0.848 0.027 . 1 . . . A 56 VAL HG13 . 11591 1
565 . 1 1 57 57 LYS CA C 13 54.429 0.087 . 1 . . . A 57 LYS CA . 11591 1
566 . 1 1 57 57 LYS CB C 13 36.085 0.111 . 1 . . . A 57 LYS CB . 11591 1
567 . 1 1 57 57 LYS CG C 13 25.022 0 . 1 . . . A 57 LYS CG . 11591 1
568 . 1 1 57 57 LYS C C 13 174.595 0 . 1 . . . A 57 LYS C . 11591 1
569 . 1 1 57 57 LYS H H 1 8.74 0.007 . 1 . . . A 57 LYS H . 11591 1
570 . 1 1 57 57 LYS HA H 1 5.346 0.015 . 1 . . . A 57 LYS HA . 11591 1
571 . 1 1 57 57 LYS HB2 H 1 1.829 0.029 . 2 . . . A 57 LYS HB2 . 11591 1
572 . 1 1 57 57 LYS HB3 H 1 1.531 0.012 . 2 . . . A 57 LYS HB3 . 11591 1
573 . 1 1 57 57 LYS N N 15 125.83 0.062 . 1 . . . A 57 LYS N . 11591 1
574 . 1 1 58 58 LEU CA C 13 52.442 0.087 . 1 . . . A 58 LEU CA . 11591 1
575 . 1 1 58 58 LEU CB C 13 42.691 0.062 . 1 . . . A 58 LEU CB . 11591 1
576 . 1 1 58 58 LEU CD1 C 13 23.091 0.061 . 1 . . . A 58 LEU CD1 . 11591 1
577 . 1 1 58 58 LEU CD2 C 13 25.756 0 . 1 . . . A 58 LEU CD2 . 11591 1
578 . 1 1 58 58 LEU C C 13 174.073 0 . 1 . . . A 58 LEU C . 11591 1
579 . 1 1 58 58 LEU HA H 1 4.502 0.017 . 1 . . . A 58 LEU HA . 11591 1
580 . 1 1 58 58 LEU HB2 H 1 1.499 0.016 . 2 . . . A 58 LEU HB2 . 11591 1
581 . 1 1 58 58 LEU H H 1 9.246 0.002 . 1 . . . A 58 LEU H . 11591 1
582 . 1 1 58 58 LEU N N 15 126.897 0.083 . 1 . . . A 58 LEU N . 11591 1
583 . 1 1 58 58 LEU HD11 H 1 -0.125 0.014 . 1 . . . A 58 LEU HD11 . 11591 1
584 . 1 1 58 58 LEU HD12 H 1 -0.125 0.014 . 1 . . . A 58 LEU HD12 . 11591 1
585 . 1 1 58 58 LEU HD13 H 1 -0.125 0.014 . 1 . . . A 58 LEU HD13 . 11591 1
586 . 1 1 58 58 LEU HD21 H 1 0.521 0.014 . 1 . . . A 58 LEU HD21 . 11591 1
587 . 1 1 58 58 LEU HD22 H 1 0.521 0.014 . 1 . . . A 58 LEU HD22 . 11591 1
588 . 1 1 58 58 LEU HD23 H 1 0.521 0.014 . 1 . . . A 58 LEU HD23 . 11591 1
589 . 1 1 59 59 ASN CA C 13 51.085 0.272 . 1 . . . A 59 ASN CA . 11591 1
590 . 1 1 59 59 ASN CB C 13 38.619 0.077 . 1 . . . A 59 ASN CB . 11591 1
591 . 1 1 59 59 ASN C C 13 174.758 0 . 1 . . . A 59 ASN C . 11591 1
592 . 1 1 59 59 ASN HA H 1 5.013 0.024 . 1 . . . A 59 ASN HA . 11591 1
593 . 1 1 59 59 ASN HB2 H 1 2.919 0.102 . 2 . . . A 59 ASN HB2 . 11591 1
594 . 1 1 59 59 ASN HB3 H 1 2.503 0.02 . 2 . . . A 59 ASN HB3 . 11591 1
595 . 1 1 59 59 ASN HD21 H 1 7.164 0.005 . 2 . . . A 59 ASN HD21 . 11591 1
596 . 1 1 59 59 ASN HD22 H 1 6.544 0.005 . 2 . . . A 59 ASN HD22 . 11591 1
597 . 1 1 59 59 ASN H H 1 8.097 0 . 1 . . . A 59 ASN H . 11591 1
598 . 1 1 59 59 ASN N N 15 120.859 0.089 . 1 . . . A 59 ASN N . 11591 1
599 . 1 1 59 59 ASN ND2 N 15 106.768 0.033 . 1 . . . A 59 ASN ND2 . 11591 1
600 . 1 1 60 60 TRP CA C 13 58.412 0.144 . 1 . . . A 60 TRP CA . 11591 1
601 . 1 1 60 60 TRP CB C 13 30.28 0.089 . 1 . . . A 60 TRP CB . 11591 1
602 . 1 1 60 60 TRP CD1 C 13 129.626 0.069 . 1 . . . A 60 TRP CD1 . 11591 1
603 . 1 1 60 60 TRP C C 13 177.084 0.023 . 1 . . . A 60 TRP C . 11591 1
604 . 1 1 60 60 TRP HA H 1 4.621 0.009 . 1 . . . A 60 TRP HA . 11591 1
605 . 1 1 60 60 TRP HB2 H 1 3.797 0.093 . 2 . . . A 60 TRP HB2 . 11591 1
606 . 1 1 60 60 TRP HB3 H 1 3.504 0.007 . 2 . . . A 60 TRP HB3 . 11591 1
607 . 1 1 60 60 TRP HD1 H 1 7.194 0.008 . 1 . . . A 60 TRP HD1 . 11591 1
608 . 1 1 60 60 TRP HE1 H 1 9.471 0.005 . 1 . . . A 60 TRP HE1 . 11591 1
609 . 1 1 60 60 TRP H H 1 8.67 0.001 . 1 . . . A 60 TRP H . 11591 1
610 . 1 1 60 60 TRP N N 15 124.216 0.056 . 1 . . . A 60 TRP N . 11591 1
611 . 1 1 60 60 TRP NE1 N 15 129.517 0.007 . 1 . . . A 60 TRP NE1 . 11591 1
612 . 1 1 61 61 GLU CA C 13 55.746 0.066 . 1 . . . A 61 GLU CA . 11591 1
613 . 1 1 61 61 GLU CB C 13 27.363 0.171 . 1 . . . A 61 GLU CB . 11591 1
614 . 1 1 61 61 GLU C C 13 175.764 0.008 . 1 . . . A 61 GLU C . 11591 1
615 . 1 1 61 61 GLU HA H 1 4.533 0.014 . 1 . . . A 61 GLU HA . 11591 1
616 . 1 1 61 61 GLU HB2 H 1 1.767 0.016 . 1 . . . A 61 GLU HB2 . 11591 1
617 . 1 1 61 61 GLU H H 1 7.73 0.003 . 1 . . . A 61 GLU H . 11591 1
618 . 1 1 61 61 GLU N N 15 122.716 0.051 . 1 . . . A 61 GLU N . 11591 1
619 . 1 1 62 62 ALA CA C 13 55.452 0.084 . 1 . . . A 62 ALA CA . 11591 1
620 . 1 1 62 62 ALA CB C 13 18.195 0.115 . 1 . . . A 62 ALA CB . 11591 1
621 . 1 1 62 62 ALA C C 13 177.815 0.01 . 1 . . . A 62 ALA C . 11591 1
622 . 1 1 62 62 ALA HA H 1 3.936 0.01 . 1 . . . A 62 ALA HA . 11591 1
623 . 1 1 62 62 ALA H H 1 6.711 0.001 . 1 . . . A 62 ALA H . 11591 1
624 . 1 1 62 62 ALA N N 15 121.043 0.017 . 1 . . . A 62 ALA N . 11591 1
625 . 1 1 62 62 ALA HB1 H 1 1.329 0.013 . 1 . . . A 62 ALA HB1 . 11591 1
626 . 1 1 62 62 ALA HB2 H 1 1.329 0.013 . 1 . . . A 62 ALA HB2 . 11591 1
627 . 1 1 62 62 ALA HB3 H 1 1.329 0.013 . 1 . . . A 62 ALA HB3 . 11591 1
628 . 1 1 63 63 ALA CA C 13 50.74 0.089 . 1 . . . A 63 ALA CA . 11591 1
629 . 1 1 63 63 ALA CB C 13 16.07 0.111 . 1 . . . A 63 ALA CB . 11591 1
630 . 1 1 63 63 ALA C C 13 173.854 0.006 . 1 . . . A 63 ALA C . 11591 1
631 . 1 1 63 63 ALA HA H 1 4.333 0.01 . 1 . . . A 63 ALA HA . 11591 1
632 . 1 1 63 63 ALA H H 1 8.141 0.001 . 1 . . . A 63 ALA H . 11591 1
633 . 1 1 63 63 ALA N N 15 119.356 0.064 . 1 . . . A 63 ALA N . 11591 1
634 . 1 1 63 63 ALA HB1 H 1 0.914 0.009 . 1 . . . A 63 ALA HB1 . 11591 1
635 . 1 1 63 63 ALA HB2 H 1 0.914 0.009 . 1 . . . A 63 ALA HB2 . 11591 1
636 . 1 1 63 63 ALA HB3 H 1 0.914 0.009 . 1 . . . A 63 ALA HB3 . 11591 1
637 . 1 1 64 64 TYR CA C 13 54.955 0 . 1 . . . A 64 TYR CA . 11591 1
638 . 1 1 64 64 TYR CB C 13 40.225 0 . 1 . . . A 64 TYR CB . 11591 1
639 . 1 1 64 64 TYR C C 13 175.59 0 . 1 . . . A 64 TYR C . 11591 1
640 . 1 1 64 64 TYR HB2 H 1 2.69 0 . 1 . . . A 64 TYR HB2 . 11591 1
641 . 1 1 64 64 TYR H H 1 7.02 0 . 1 . . . A 64 TYR H . 11591 1
642 . 1 1 64 64 TYR N N 15 117.874 0.064 . 1 . . . A 64 TYR N . 11591 1
643 . 1 1 65 65 ALA CA C 13 50.088 0.073 . 1 . . . A 65 ALA CA . 11591 1
644 . 1 1 65 65 ALA CB C 13 20.945 0.082 . 1 . . . A 65 ALA CB . 11591 1
645 . 1 1 65 65 ALA C C 13 175.079 0 . 1 . . . A 65 ALA C . 11591 1
646 . 1 1 65 65 ALA HA H 1 4.501 0.007 . 1 . . . A 65 ALA HA . 11591 1
647 . 1 1 65 65 ALA HB1 H 1 1.37 0.015 . 1 . . . A 65 ALA HB1 . 11591 1
648 . 1 1 65 65 ALA HB2 H 1 1.37 0.015 . 1 . . . A 65 ALA HB2 . 11591 1
649 . 1 1 65 65 ALA HB3 H 1 1.37 0.015 . 1 . . . A 65 ALA HB3 . 11591 1
650 . 1 1 66 66 SER CA C 13 58.711 0.175 . 1 . . . A 66 SER CA . 11591 1
651 . 1 1 66 66 SER CB C 13 64.127 0.228 . 1 . . . A 66 SER CB . 11591 1
652 . 1 1 66 66 SER C C 13 175.808 0 . 1 . . . A 66 SER C . 11591 1
653 . 1 1 66 66 SER HA H 1 4.539 0.035 . 1 . . . A 66 SER HA . 11591 1
654 . 1 1 66 66 SER HB2 H 1 3.778 0.106 . 2 . . . A 66 SER HB2 . 11591 1
655 . 1 1 66 66 SER HB3 H 1 3.341 0.017 . 2 . . . A 66 SER HB3 . 11591 1
656 . 1 1 66 66 SER H H 1 8.451 0.002 . 1 . . . A 66 SER H . 11591 1
657 . 1 1 66 66 SER N N 15 119.198 0.068 . 1 . . . A 66 SER N . 11591 1
658 . 1 1 67 67 SER CA C 13 57.352 0.122 . 1 . . . A 67 SER CA . 11591 1
659 . 1 1 67 67 SER CB C 13 64.877 0.038 . 1 . . . A 67 SER CB . 11591 1
660 . 1 1 67 67 SER C C 13 173.377 0.016 . 1 . . . A 67 SER C . 11591 1
661 . 1 1 67 67 SER HA H 1 5.699 0.016 . 1 . . . A 67 SER HA . 11591 1
662 . 1 1 67 67 SER HB2 H 1 3.818 0 . 1 . . . A 67 SER HB2 . 11591 1
663 . 1 1 67 67 SER H H 1 7.618 0.001 . 1 . . . A 67 SER H . 11591 1
664 . 1 1 67 67 SER N N 15 115.7 0.09 . 1 . . . A 67 SER N . 11591 1
665 . 1 1 68 68 TYR CA C 13 57.11 0.156 . 1 . . . A 68 TYR CA . 11591 1
666 . 1 1 68 68 TYR CB C 13 39.758 0.033 . 1 . . . A 68 TYR CB . 11591 1
667 . 1 1 68 68 TYR C C 13 172.865 0 . 1 . . . A 68 TYR C . 11591 1
668 . 1 1 68 68 TYR HA H 1 5.84 0.015 . 1 . . . A 68 TYR HA . 11591 1
669 . 1 1 68 68 TYR HB2 H 1 3.139 0.013 . 1 . . . A 68 TYR HB2 . 11591 1
670 . 1 1 68 68 TYR H H 1 8.074 0.001 . 1 . . . A 68 TYR H . 11591 1
671 . 1 1 68 68 TYR N N 15 120.108 0.063 . 1 . . . A 68 TYR N . 11591 1
672 . 1 1 69 69 THR CA C 13 58.749 0.145 . 1 . . . A 69 THR CA . 11591 1
673 . 1 1 69 69 THR CB C 13 72.999 0.094 . 1 . . . A 69 THR CB . 11591 1
674 . 1 1 69 69 THR CG2 C 13 22.333 0.202 . 1 . . . A 69 THR CG2 . 11591 1
675 . 1 1 69 69 THR C C 13 175.195 0 . 1 . . . A 69 THR C . 11591 1
676 . 1 1 69 69 THR H H 1 9.367 0.005 . 1 . . . A 69 THR H . 11591 1
677 . 1 1 69 69 THR HA H 1 5.302 0.015 . 1 . . . A 69 THR HA . 11591 1
678 . 1 1 69 69 THR HB H 1 4.173 0.011 . 1 . . . A 69 THR HB . 11591 1
679 . 1 1 69 69 THR N N 15 107.357 0.008 . 1 . . . A 69 THR N . 11591 1
680 . 1 1 69 69 THR HG21 H 1 1.29 0.028 . 1 . . . A 69 THR HG21 . 11591 1
681 . 1 1 69 69 THR HG22 H 1 1.29 0.028 . 1 . . . A 69 THR HG22 . 11591 1
682 . 1 1 69 69 THR HG23 H 1 1.29 0.028 . 1 . . . A 69 THR HG23 . 11591 1
683 . 1 1 70 70 ILE CA C 13 59.062 0.144 . 1 . . . A 70 ILE CA . 11591 1
684 . 1 1 70 70 ILE CB C 13 38.384 0.205 . 1 . . . A 70 ILE CB . 11591 1
685 . 1 1 70 70 ILE CD1 C 13 12.738 0.11 . 1 . . . A 70 ILE CD1 . 11591 1
686 . 1 1 70 70 ILE CG1 C 13 27.612 0.126 . 1 . . . A 70 ILE CG1 . 11591 1
687 . 1 1 70 70 ILE CG2 C 13 17.368 0.167 . 1 . . . A 70 ILE CG2 . 11591 1
688 . 1 1 70 70 ILE C C 13 175.92 0.005 . 1 . . . A 70 ILE C . 11591 1
689 . 1 1 70 70 ILE HA H 1 5.247 0.019 . 1 . . . A 70 ILE HA . 11591 1
690 . 1 1 70 70 ILE HB H 1 1.691 0.013 . 1 . . . A 70 ILE HB . 11591 1
691 . 1 1 70 70 ILE HG12 H 1 1.857 0.013 . 2 . . . A 70 ILE HG12 . 11591 1
692 . 1 1 70 70 ILE HG13 H 1 1.572 0.006 . 2 . . . A 70 ILE HG13 . 11591 1
693 . 1 1 70 70 ILE H H 1 8.549 0.006 . 1 . . . A 70 ILE H . 11591 1
694 . 1 1 70 70 ILE N N 15 118.381 0.041 . 1 . . . A 70 ILE N . 11591 1
695 . 1 1 70 70 ILE HD11 H 1 0.878 0.012 . 4 . . . A 70 ILE HD11 . 11591 1
696 . 1 1 70 70 ILE HD12 H 1 0.878 0.012 . 4 . . . A 70 ILE HD12 . 11591 1
697 . 1 1 70 70 ILE HD13 H 1 0.878 0.012 . 4 . . . A 70 ILE HD13 . 11591 1
698 . 1 1 70 70 ILE HG21 H 1 0.708 0.012 . 4 . . . A 70 ILE HG21 . 11591 1
699 . 1 1 70 70 ILE HG22 H 1 0.708 0.012 . 4 . . . A 70 ILE HG22 . 11591 1
700 . 1 1 70 70 ILE HG23 H 1 0.708 0.012 . 4 . . . A 70 ILE HG23 . 11591 1
701 . 1 1 71 71 GLN CA C 13 52.667 0.06 . 1 . . . A 71 GLN CA . 11591 1
702 . 1 1 71 71 GLN CB C 13 34.444 0.045 . 1 . . . A 71 GLN CB . 11591 1
703 . 1 1 71 71 GLN C C 13 174.938 0.001 . 1 . . . A 71 GLN C . 11591 1
704 . 1 1 71 71 GLN HA H 1 5.612 0.015 . 1 . . . A 71 GLN HA . 11591 1
705 . 1 1 71 71 GLN HB2 H 1 1.902 0.015 . 2 . . . A 71 GLN HB2 . 11591 1
706 . 1 1 71 71 GLN HB3 H 1 1.548 0.038 . 2 . . . A 71 GLN HB3 . 11591 1
707 . 1 1 71 71 GLN HE21 H 1 6.745 0.006 . 2 . . . A 71 GLN HE21 . 11591 1
708 . 1 1 71 71 GLN HE22 H 1 6.45 0.007 . 2 . . . A 71 GLN HE22 . 11591 1
709 . 1 1 71 71 GLN H H 1 9.583 0.002 . 1 . . . A 71 GLN H . 11591 1
710 . 1 1 71 71 GLN N N 15 125.82 0.064 . 1 . . . A 71 GLN N . 11591 1
711 . 1 1 71 71 GLN NE2 N 15 111.188 0.094 . 1 . . . A 71 GLN NE2 . 11591 1
712 . 1 1 72 72 VAL CA C 13 58.193 0.194 . 1 . . . A 72 VAL CA . 11591 1
713 . 1 1 72 72 VAL CB C 13 35.393 0.104 . 1 . . . A 72 VAL CB . 11591 1
714 . 1 1 72 72 VAL CG1 C 13 21.133 0.086 . 2 . . . A 72 VAL CG1 . 11591 1
715 . 1 1 72 72 VAL CG2 C 13 18.21 0.039 . 2 . . . A 72 VAL CG2 . 11591 1
716 . 1 1 72 72 VAL C C 13 175.202 0.032 . 1 . . . A 72 VAL C . 11591 1
717 . 1 1 72 72 VAL HA H 1 5.842 0.01 . 1 . . . A 72 VAL HA . 11591 1
718 . 1 1 72 72 VAL HB H 1 2.311 0.013 . 1 . . . A 72 VAL HB . 11591 1
719 . 1 1 72 72 VAL H H 1 9.233 0.002 . 1 . . . A 72 VAL H . 11591 1
720 . 1 1 72 72 VAL N N 15 111.45 0.024 . 1 . . . A 72 VAL N . 11591 1
721 . 1 1 72 72 VAL HG11 H 1 0.82 0.012 . 2 . . . A 72 VAL HG11 . 11591 1
722 . 1 1 72 72 VAL HG12 H 1 0.82 0.012 . 2 . . . A 72 VAL HG12 . 11591 1
723 . 1 1 72 72 VAL HG13 H 1 0.82 0.012 . 2 . . . A 72 VAL HG13 . 11591 1
724 . 1 1 72 72 VAL HG21 H 1 0.733 0.009 . 2 . . . A 72 VAL HG21 . 11591 1
725 . 1 1 72 72 VAL HG22 H 1 0.733 0.009 . 2 . . . A 72 VAL HG22 . 11591 1
726 . 1 1 72 72 VAL HG23 H 1 0.733 0.009 . 2 . . . A 72 VAL HG23 . 11591 1
727 . 1 1 73 73 SER CA C 13 56.738 0 . 1 . . . A 73 SER CA . 11591 1
728 . 1 1 73 73 SER CB C 13 65.268 0.084 . 1 . . . A 73 SER CB . 11591 1
729 . 1 1 73 73 SER C C 13 175.089 0 . 1 . . . A 73 SER C . 11591 1
730 . 1 1 73 73 SER HB2 H 1 2.529 0.028 . 2 . . . A 73 SER HB2 . 11591 1
731 . 1 1 73 73 SER HB3 H 1 2.408 0.026 . 2 . . . A 73 SER HB3 . 11591 1
732 . 1 1 73 73 SER H H 1 8.487 0.002 . 1 . . . A 73 SER H . 11591 1
733 . 1 1 73 73 SER N N 15 113.642 0.031 . 1 . . . A 73 SER N . 11591 1
734 . 1 1 74 74 ASN CA C 13 51.973 0.146 . 1 . . . A 74 ASN CA . 11591 1
735 . 1 1 74 74 ASN CB C 13 39.943 0.035 . 1 . . . A 74 ASN CB . 11591 1
736 . 1 1 74 74 ASN C C 13 174.263 0 . 1 . . . A 74 ASN C . 11591 1
737 . 1 1 74 74 ASN H H 1 9.395 0 . 1 . . . A 74 ASN H . 11591 1
738 . 1 1 74 74 ASN HA H 1 5.148 0.011 . 1 . . . A 74 ASN HA . 11591 1
739 . 1 1 74 74 ASN HB2 H 1 2.74 0.011 . 2 . . . A 74 ASN HB2 . 11591 1
740 . 1 1 74 74 ASN HB3 H 1 2.323 0.013 . 2 . . . A 74 ASN HB3 . 11591 1
741 . 1 1 74 74 ASN HD21 H 1 7.404 0.004 . 2 . . . A 74 ASN HD21 . 11591 1
742 . 1 1 74 74 ASN HD22 H 1 6.62 0.009 . 2 . . . A 74 ASN HD22 . 11591 1
743 . 1 1 74 74 ASN N N 15 129.742 0 . 1 . . . A 74 ASN N . 11591 1
744 . 1 1 74 74 ASN ND2 N 15 111.257 0.058 . 1 . . . A 74 ASN ND2 . 11591 1
745 . 1 1 75 75 ASP CA C 13 55.49 0.093 . 1 . . . A 75 ASP CA . 11591 1
746 . 1 1 75 75 ASP CB C 13 41.297 0.071 . 1 . . . A 75 ASP CB . 11591 1
747 . 1 1 75 75 ASP C C 13 174.62 0.002 . 1 . . . A 75 ASP C . 11591 1
748 . 1 1 75 75 ASP HA H 1 4.176 0.008 . 1 . . . A 75 ASP HA . 11591 1
749 . 1 1 75 75 ASP HB2 H 1 2.44 0.013 . 2 . . . A 75 ASP HB2 . 11591 1
750 . 1 1 75 75 ASP HB3 H 1 1.829 0.016 . 2 . . . A 75 ASP HB3 . 11591 1
751 . 1 1 75 75 ASP H H 1 7.778 0.001 . 1 . . . A 75 ASP H . 11591 1
752 . 1 1 75 75 ASP N N 15 121.858 0.017 . 1 . . . A 75 ASP N . 11591 1
753 . 1 1 76 76 SER CA C 13 59.527 0.091 . 1 . . . A 76 SER CA . 11591 1
754 . 1 1 76 76 SER CB C 13 63.383 0.096 . 1 . . . A 76 SER CB . 11591 1
755 . 1 1 76 76 SER C C 13 176.492 0 . 1 . . . A 76 SER C . 11591 1
756 . 1 1 76 76 SER HA H 1 4.133 0.007 . 1 . . . A 76 SER HA . 11591 1
757 . 1 1 76 76 SER HB2 H 1 3.708 0.009 . 1 . . . A 76 SER HB2 . 11591 1
758 . 1 1 76 76 SER H H 1 8.194 0 . 1 . . . A 76 SER H . 11591 1
759 . 1 1 76 76 SER N N 15 113.122 0.044 . 1 . . . A 76 SER N . 11591 1
760 . 1 1 77 77 GLY CA C 13 43.592 0.081 . 1 . . . A 77 GLY CA . 11591 1
761 . 1 1 77 77 GLY C C 13 173.383 0 . 1 . . . A 77 GLY C . 11591 1
762 . 1 1 77 77 GLY HA2 H 1 4.154 0.003 . 2 . . . A 77 GLY HA2 . 11591 1
763 . 1 1 77 77 GLY HA3 H 1 3.5 0.01 . 2 . . . A 77 GLY HA3 . 11591 1
764 . 1 1 77 77 GLY N N 15 111.661 0.072 . 1 . . . A 77 GLY N . 11591 1
765 . 1 1 78 78 THR CA C 13 60.685 0.1 . 1 . . . A 78 THR CA . 11591 1
766 . 1 1 78 78 THR CB C 13 69.159 0.195 . 1 . . . A 78 THR CB . 11591 1
767 . 1 1 78 78 THR CG2 C 13 21.655 0.119 . 1 . . . A 78 THR CG2 . 11591 1
768 . 1 1 78 78 THR C C 13 172.858 0 . 1 . . . A 78 THR C . 11591 1
769 . 1 1 78 78 THR HA H 1 3.896 0.015 . 1 . . . A 78 THR HA . 11591 1
770 . 1 1 78 78 THR H H 1 8.203 0.001 . 1 . . . A 78 THR H . 11591 1
771 . 1 1 78 78 THR N N 15 121.326 0.052 . 1 . . . A 78 THR N . 11591 1
772 . 1 1 78 78 THR HG21 H 1 0.997 0.005 . 1 . . . A 78 THR HG21 . 11591 1
773 . 1 1 78 78 THR HG22 H 1 0.997 0.005 . 1 . . . A 78 THR HG22 . 11591 1
774 . 1 1 78 78 THR HG23 H 1 0.997 0.005 . 1 . . . A 78 THR HG23 . 11591 1
775 . 1 1 79 79 PRO CA C 13 62.643 0.023 . 1 . . . A 79 PRO CA . 11591 1
776 . 1 1 79 79 PRO CB C 13 31.065 0.126 . 1 . . . A 79 PRO CB . 11591 1
777 . 1 1 79 79 PRO CD C 13 49.945 0.066 . 1 . . . A 79 PRO CD . 11591 1
778 . 1 1 79 79 PRO CG C 13 27.817 0.003 . 1 . . . A 79 PRO CG . 11591 1
779 . 1 1 79 79 PRO C C 13 176.447 0 . 1 . . . A 79 PRO C . 11591 1
780 . 1 1 79 79 PRO HA H 1 3.764 0.014 . 1 . . . A 79 PRO HA . 11591 1
781 . 1 1 79 79 PRO HB2 H 1 0.047 0.009 . 2 . . . A 79 PRO HB2 . 11591 1
782 . 1 1 79 79 PRO HB3 H 1 0.283 0.017 . 2 . . . A 79 PRO HB3 . 11591 1
783 . 1 1 79 79 PRO HD2 H 1 3.223 0.011 . 2 . . . A 79 PRO HD2 . 11591 1
784 . 1 1 79 79 PRO HD3 H 1 2.461 0.01 . 2 . . . A 79 PRO HD3 . 11591 1
785 . 1 1 79 79 PRO HG2 H 1 -0.156 0.012 . 2 . . . A 79 PRO HG2 . 11591 1
786 . 1 1 80 80 THR CA C 13 61.953 0.084 . 1 . . . A 80 THR CA . 11591 1
787 . 1 1 80 80 THR CB C 13 70.75 0.07 . 1 . . . A 80 THR CB . 11591 1
788 . 1 1 80 80 THR CG2 C 13 20.912 0.062 . 1 . . . A 80 THR CG2 . 11591 1
789 . 1 1 80 80 THR C C 13 172.93 0.007 . 1 . . . A 80 THR C . 11591 1
790 . 1 1 80 80 THR HA H 1 3.96 0.008 . 1 . . . A 80 THR HA . 11591 1
791 . 1 1 80 80 THR HB H 1 3.798 0.005 . 1 . . . A 80 THR HB . 11591 1
792 . 1 1 80 80 THR N N 15 114.651 0.046 . 1 . . . A 80 THR N . 11591 1
793 . 1 1 80 80 THR HG21 H 1 0.812 0.008 . 1 . . . A 80 THR HG21 . 11591 1
794 . 1 1 80 80 THR HG22 H 1 0.812 0.008 . 1 . . . A 80 THR HG22 . 11591 1
795 . 1 1 80 80 THR HG23 H 1 0.812 0.008 . 1 . . . A 80 THR HG23 . 11591 1
796 . 1 1 81 81 ASN CA C 13 52.92 0.113 . 1 . . . A 81 ASN CA . 11591 1
797 . 1 1 81 81 ASN CB C 13 38.529 0.065 . 1 . . . A 81 ASN CB . 11591 1
798 . 1 1 81 81 ASN C C 13 173.512 0.013 . 1 . . . A 81 ASN C . 11591 1
799 . 1 1 81 81 ASN HA H 1 4.604 0.012 . 1 . . . A 81 ASN HA . 11591 1
800 . 1 1 81 81 ASN HB2 H 1 2.845 0.028 . 2 . . . A 81 ASN HB2 . 11591 1
801 . 1 1 81 81 ASN HB3 H 1 2.337 0.011 . 2 . . . A 81 ASN HB3 . 11591 1
802 . 1 1 81 81 ASN HD21 H 1 8.42 0.005 . 2 . . . A 81 ASN HD21 . 11591 1
803 . 1 1 81 81 ASN HD22 H 1 6.756 0.005 . 2 . . . A 81 ASN HD22 . 11591 1
804 . 1 1 81 81 ASN H H 1 8.899 0 . 1 . . . A 81 ASN H . 11591 1
805 . 1 1 81 81 ASN N N 15 124.222 0.057 . 1 . . . A 81 ASN N . 11591 1
806 . 1 1 81 81 ASN ND2 N 15 118.597 0.014 . 1 . . . A 81 ASN ND2 . 11591 1
807 . 1 1 82 82 TRP CA C 13 54.971 0.098 . 1 . . . A 82 TRP CA . 11591 1
808 . 1 1 82 82 TRP CB C 13 32.262 0.051 . 1 . . . A 82 TRP CB . 11591 1
809 . 1 1 82 82 TRP CD1 C 13 128.07 0.077 . 1 . . . A 82 TRP CD1 . 11591 1
810 . 1 1 82 82 TRP C C 13 176.48 0.001 . 1 . . . A 82 TRP C . 11591 1
811 . 1 1 82 82 TRP CZ2 C 13 114.216 0.04 . 1 . . . A 82 TRP CZ2 . 11591 1
812 . 1 1 82 82 TRP HA H 1 4.806 0.009 . 1 . . . A 82 TRP HA . 11591 1
813 . 1 1 82 82 TRP HB2 H 1 2.694 0.033 . 2 . . . A 82 TRP HB2 . 11591 1
814 . 1 1 82 82 TRP HB3 H 1 2.564 0.008 . 2 . . . A 82 TRP HB3 . 11591 1
815 . 1 1 82 82 TRP HD1 H 1 6.621 0.027 . 1 . . . A 82 TRP HD1 . 11591 1
816 . 1 1 82 82 TRP HE1 H 1 9.261 0.01 . 1 . . . A 82 TRP HE1 . 11591 1
817 . 1 1 82 82 TRP H H 1 8.418 0.001 . 1 . . . A 82 TRP H . 11591 1
818 . 1 1 82 82 TRP HZ2 H 1 6.075 0.01 . 1 . . . A 82 TRP HZ2 . 11591 1
819 . 1 1 82 82 TRP N N 15 125.083 0.045 . 1 . . . A 82 TRP N . 11591 1
820 . 1 1 82 82 TRP NE1 N 15 127.576 0 . 1 . . . A 82 TRP NE1 . 11591 1
821 . 1 1 83 83 THR CA C 13 61.573 0.082 . 1 . . . A 83 THR CA . 11591 1
822 . 1 1 83 83 THR CB C 13 70.639 0.097 . 1 . . . A 83 THR CB . 11591 1
823 . 1 1 83 83 THR CG2 C 13 20.964 0 . 1 . . . A 83 THR CG2 . 11591 1
824 . 1 1 83 83 THR C C 13 174.757 0.001 . 1 . . . A 83 THR C . 11591 1
825 . 1 1 83 83 THR HA H 1 4.48 0.014 . 1 . . . A 83 THR HA . 11591 1
826 . 1 1 83 83 THR HB H 1 3.815 0.017 . 1 . . . A 83 THR HB . 11591 1
827 . 1 1 83 83 THR H H 1 9.573 0.002 . 1 . . . A 83 THR H . 11591 1
828 . 1 1 83 83 THR N N 15 121.069 0.029 . 1 . . . A 83 THR N . 11591 1
829 . 1 1 83 83 THR HG21 H 1 0.976 0.015 . 1 . . . A 83 THR HG21 . 11591 1
830 . 1 1 83 83 THR HG22 H 1 0.976 0.015 . 1 . . . A 83 THR HG22 . 11591 1
831 . 1 1 83 83 THR HG23 H 1 0.976 0.015 . 1 . . . A 83 THR HG23 . 11591 1
832 . 1 1 84 84 THR CA C 13 64.66 0.141 . 1 . . . A 84 THR CA . 11591 1
833 . 1 1 84 84 THR CB C 13 68.832 0.112 . 1 . . . A 84 THR CB . 11591 1
834 . 1 1 84 84 THR CG2 C 13 22.857 0.151 . 1 . . . A 84 THR CG2 . 11591 1
835 . 1 1 84 84 THR C C 13 174.367 0.056 . 1 . . . A 84 THR C . 11591 1
836 . 1 1 84 84 THR HA H 1 4.297 0.013 . 1 . . . A 84 THR HA . 11591 1
837 . 1 1 84 84 THR HB H 1 4.01 0.019 . 1 . . . A 84 THR HB . 11591 1
838 . 1 1 84 84 THR H H 1 9.37 0.001 . 1 . . . A 84 THR H . 11591 1
839 . 1 1 84 84 THR N N 15 127.248 0.027 . 1 . . . A 84 THR N . 11591 1
840 . 1 1 84 84 THR HG21 H 1 1.137 0.016 . 1 . . . A 84 THR HG21 . 11591 1
841 . 1 1 84 84 THR HG22 H 1 1.137 0.016 . 1 . . . A 84 THR HG22 . 11591 1
842 . 1 1 84 84 THR HG23 H 1 1.137 0.016 . 1 . . . A 84 THR HG23 . 11591 1
843 . 1 1 85 85 VAL CA C 13 60.057 0.105 . 1 . . . A 85 VAL CA . 11591 1
844 . 1 1 85 85 VAL CB C 13 32.756 0.068 . 1 . . . A 85 VAL CB . 11591 1
845 . 1 1 85 85 VAL CG1 C 13 22.076 0.05 . 2 . . . A 85 VAL CG1 . 11591 1
846 . 1 1 85 85 VAL CG2 C 13 16.972 0.054 . 2 . . . A 85 VAL CG2 . 11591 1
847 . 1 1 85 85 VAL C C 13 174.667 0.008 . 1 . . . A 85 VAL C . 11591 1
848 . 1 1 85 85 VAL H H 1 8.888 0.007 . 1 . . . A 85 VAL H . 11591 1
849 . 1 1 85 85 VAL HA H 1 4.432 0.006 . 1 . . . A 85 VAL HA . 11591 1
850 . 1 1 85 85 VAL HB H 1 1.68 0.027 . 1 . . . A 85 VAL HB . 11591 1
851 . 1 1 85 85 VAL N N 15 119.647 0.027 . 1 . . . A 85 VAL N . 11591 1
852 . 1 1 85 85 VAL HG11 H 1 0.542 0.01 . 2 . . . A 85 VAL HG11 . 11591 1
853 . 1 1 85 85 VAL HG12 H 1 0.542 0.01 . 2 . . . A 85 VAL HG12 . 11591 1
854 . 1 1 85 85 VAL HG13 H 1 0.542 0.01 . 2 . . . A 85 VAL HG13 . 11591 1
855 . 1 1 85 85 VAL HG21 H 1 -0.353 0.013 . 2 . . . A 85 VAL HG21 . 11591 1
856 . 1 1 85 85 VAL HG22 H 1 -0.353 0.013 . 2 . . . A 85 VAL HG22 . 11591 1
857 . 1 1 85 85 VAL HG23 H 1 -0.353 0.013 . 2 . . . A 85 VAL HG23 . 11591 1
858 . 1 1 86 86 TYR CA C 13 58.59 0.1 . 1 . . . A 86 TYR CA . 11591 1
859 . 1 1 86 86 TYR CB C 13 41.875 0.094 . 1 . . . A 86 TYR CB . 11591 1
860 . 1 1 86 86 TYR C C 13 172.366 0.009 . 1 . . . A 86 TYR C . 11591 1
861 . 1 1 86 86 TYR HA H 1 4.559 0.007 . 1 . . . A 86 TYR HA . 11591 1
862 . 1 1 86 86 TYR HB2 H 1 3.085 0.024 . 2 . . . A 86 TYR HB2 . 11591 1
863 . 1 1 86 86 TYR HB3 H 1 2.275 0.019 . 2 . . . A 86 TYR HB3 . 11591 1
864 . 1 1 86 86 TYR HD1 H 1 6.969 0 . 1 . . . A 86 TYR HD1 . 11591 1
865 . 1 1 86 86 TYR H H 1 7.469 0.002 . 1 . . . A 86 TYR H . 11591 1
866 . 1 1 86 86 TYR N N 15 121.833 0.018 . 1 . . . A 86 TYR N . 11591 1
867 . 1 1 87 87 THR CA C 13 60.423 0.093 . 1 . . . A 87 THR CA . 11591 1
868 . 1 1 87 87 THR CB C 13 71.245 0.116 . 1 . . . A 87 THR CB . 11591 1
869 . 1 1 87 87 THR CG2 C 13 20.172 0.068 . 1 . . . A 87 THR CG2 . 11591 1
870 . 1 1 87 87 THR C C 13 171.293 0.007 . 1 . . . A 87 THR C . 11591 1
871 . 1 1 87 87 THR HA H 1 4.481 0.01 . 1 . . . A 87 THR HA . 11591 1
872 . 1 1 87 87 THR HB H 1 3.519 0.006 . 1 . . . A 87 THR HB . 11591 1
873 . 1 1 87 87 THR H H 1 7.306 0.001 . 1 . . . A 87 THR H . 11591 1
874 . 1 1 87 87 THR N N 15 123.02 0.036 . 1 . . . A 87 THR N . 11591 1
875 . 1 1 87 87 THR HG21 H 1 0.912 0.016 . 1 . . . A 87 THR HG21 . 11591 1
876 . 1 1 87 87 THR HG22 H 1 0.912 0.016 . 1 . . . A 87 THR HG22 . 11591 1
877 . 1 1 87 87 THR HG23 H 1 0.912 0.016 . 1 . . . A 87 THR HG23 . 11591 1
878 . 1 1 88 88 THR CA C 13 59.947 0.156 . 1 . . . A 88 THR CA . 11591 1
879 . 1 1 88 88 THR CB C 13 69.789 0.169 . 1 . . . A 88 THR CB . 11591 1
880 . 1 1 88 88 THR CG2 C 13 19.06 0.136 . 1 . . . A 88 THR CG2 . 11591 1
881 . 1 1 88 88 THR C C 13 173.175 0 . 1 . . . A 88 THR C . 11591 1
882 . 1 1 88 88 THR HA H 1 4.519 0.013 . 1 . . . A 88 THR HA . 11591 1
883 . 1 1 88 88 THR HB H 1 3.785 0.015 . 1 . . . A 88 THR HB . 11591 1
884 . 1 1 88 88 THR H H 1 8.001 0.002 . 1 . . . A 88 THR H . 11591 1
885 . 1 1 88 88 THR N N 15 117.844 0.042 . 1 . . . A 88 THR N . 11591 1
886 . 1 1 88 88 THR HG21 H 1 0.472 0.099 . 1 . . . A 88 THR HG21 . 11591 1
887 . 1 1 88 88 THR HG22 H 1 0.472 0.099 . 1 . . . A 88 THR HG22 . 11591 1
888 . 1 1 88 88 THR HG23 H 1 0.472 0.099 . 1 . . . A 88 THR HG23 . 11591 1
889 . 1 1 89 89 THR CA C 13 61.745 0.131 . 1 . . . A 89 THR CA . 11591 1
890 . 1 1 89 89 THR CB C 13 69.234 0.177 . 1 . . . A 89 THR CB . 11591 1
891 . 1 1 89 89 THR CG2 C 13 20.868 0.03 . 1 . . . A 89 THR CG2 . 11591 1
892 . 1 1 89 89 THR C C 13 176.356 0.006 . 1 . . . A 89 THR C . 11591 1
893 . 1 1 89 89 THR HA H 1 5.212 0.01 . 1 . . . A 89 THR HA . 11591 1
894 . 1 1 89 89 THR HB H 1 4.345 0.008 . 1 . . . A 89 THR HB . 11591 1
895 . 1 1 89 89 THR H H 1 8.39 0.002 . 1 . . . A 89 THR H . 11591 1
896 . 1 1 89 89 THR N N 15 116.76 0.057 . 1 . . . A 89 THR N . 11591 1
897 . 1 1 89 89 THR HG21 H 1 1.01 0.015 . 1 . . . A 89 THR HG21 . 11591 1
898 . 1 1 89 89 THR HG22 H 1 1.01 0.015 . 1 . . . A 89 THR HG22 . 11591 1
899 . 1 1 89 89 THR HG23 H 1 1.01 0.015 . 1 . . . A 89 THR HG23 . 11591 1
900 . 1 1 90 90 THR CA C 13 59.676 0.102 . 1 . . . A 90 THR CA . 11591 1
901 . 1 1 90 90 THR CB C 13 68.045 0.03 . 1 . . . A 90 THR CB . 11591 1
902 . 1 1 90 90 THR CG2 C 13 19.692 0.044 . 1 . . . A 90 THR CG2 . 11591 1
903 . 1 1 90 90 THR C C 13 175.173 0.007 . 1 . . . A 90 THR C . 11591 1
904 . 1 1 90 90 THR HA H 1 4.511 0.018 . 1 . . . A 90 THR HA . 11591 1
905 . 1 1 90 90 THR HB H 1 4.515 0.012 . 1 . . . A 90 THR HB . 11591 1
906 . 1 1 90 90 THR H H 1 8.78 0.002 . 1 . . . A 90 THR H . 11591 1
907 . 1 1 90 90 THR N N 15 116.127 0.027 . 1 . . . A 90 THR N . 11591 1
908 . 1 1 90 90 THR HG21 H 1 0.973 0.005 . 1 . . . A 90 THR HG21 . 11591 1
909 . 1 1 90 90 THR HG22 H 1 0.973 0.005 . 1 . . . A 90 THR HG22 . 11591 1
910 . 1 1 90 90 THR HG23 H 1 0.973 0.005 . 1 . . . A 90 THR HG23 . 11591 1
911 . 1 1 91 91 GLY CA C 13 46.65 0.038 . 1 . . . A 91 GLY CA . 11591 1
912 . 1 1 91 91 GLY C C 13 173.549 0.001 . 1 . . . A 91 GLY C . 11591 1
913 . 1 1 91 91 GLY H H 1 9.469 0.009 . 1 . . . A 91 GLY H . 11591 1
914 . 1 1 91 91 GLY HA2 H 1 4.088 0.079 . 2 . . . A 91 GLY HA2 . 11591 1
915 . 1 1 91 91 GLY HA3 H 1 3.849 0.011 . 2 . . . A 91 GLY HA3 . 11591 1
916 . 1 1 91 91 GLY N N 15 114.229 0.019 . 1 . . . A 91 GLY N . 11591 1
917 . 1 1 92 92 ASP CA C 13 51.594 0.01 . 1 . . . A 92 ASP CA . 11591 1
918 . 1 1 92 92 ASP CB C 13 41.577 0 . 1 . . . A 92 ASP CB . 11591 1
919 . 1 1 92 92 ASP C C 13 176.955 0.022 . 1 . . . A 92 ASP C . 11591 1
920 . 1 1 92 92 ASP H H 1 8.385 0.014 . 1 . . . A 92 ASP H . 11591 1
921 . 1 1 92 92 ASP N N 15 122.884 0.051 . 1 . . . A 92 ASP N . 11591 1
922 . 1 1 93 93 GLY CA C 13 44.205 0.126 . 1 . . . A 93 GLY CA . 11591 1
923 . 1 1 93 93 GLY H H 1 8.777 0.006 . 1 . . . A 93 GLY H . 11591 1
924 . 1 1 93 93 GLY N N 15 112.363 0.072 . 1 . . . A 93 GLY N . 11591 1
925 . 1 1 94 94 GLY CA C 13 46.267 0.031 . 1 . . . A 94 GLY CA . 11591 1
926 . 1 1 94 94 GLY C C 13 173.068 0 . 1 . . . A 94 GLY C . 11591 1
927 . 1 1 94 94 GLY H H 1 9.085 0.011 . 1 . . . A 94 GLY H . 11591 1
928 . 1 1 94 94 GLY N N 15 112.007 0 . 1 . . . A 94 GLY N . 11591 1
929 . 1 1 94 94 GLY HA2 H 1 3.8 0.005 . 1 . . . A 94 GLY HA2 . 11591 1
930 . 1 1 94 94 GLY HA3 H 1 3.8 0.005 . 1 . . . A 94 GLY HA3 . 11591 1
931 . 1 1 95 95 ILE CA C 13 59.473 0.097 . 1 . . . A 95 ILE CA . 11591 1
932 . 1 1 95 95 ILE CB C 13 37.69 0.003 . 1 . . . A 95 ILE CB . 11591 1
933 . 1 1 95 95 ILE CD1 C 13 11.265 0 . 1 . . . A 95 ILE CD1 . 11591 1
934 . 1 1 95 95 ILE CG1 C 13 27.407 0 . 4 . . . A 95 ILE CG1 . 11591 1
935 . 1 1 95 95 ILE CG2 C 13 17.879 0.003 . 4 . . . A 95 ILE CG2 . 11591 1
936 . 1 1 95 95 ILE C C 13 178.404 0.002 . 1 . . . A 95 ILE C . 11591 1
937 . 1 1 95 95 ILE HA H 1 5.095 0.017 . 1 . . . A 95 ILE HA . 11591 1
938 . 1 1 95 95 ILE HB H 1 1.845 0.012 . 1 . . . A 95 ILE HB . 11591 1
939 . 1 1 95 95 ILE H H 1 8.187 0.003 . 1 . . . A 95 ILE H . 11591 1
940 . 1 1 95 95 ILE N N 15 123.384 0.04 . 1 . . . A 95 ILE N . 11591 1
941 . 1 1 95 95 ILE HD11 H 1 0.715 0.021 . 1 . . . A 95 ILE HD11 . 11591 1
942 . 1 1 95 95 ILE HD12 H 1 0.715 0.021 . 1 . . . A 95 ILE HD12 . 11591 1
943 . 1 1 95 95 ILE HD13 H 1 0.715 0.021 . 1 . . . A 95 ILE HD13 . 11591 1
944 . 1 1 95 95 ILE HG12 H 1 1.522 0.015 . 1 . . . A 95 ILE HG12 . 11591 1
945 . 1 1 95 95 ILE HG13 H 1 1.522 0.015 . 1 . . . A 95 ILE HG13 . 11591 1
946 . 1 1 95 95 ILE HG21 H 1 0.741 0.019 . 1 . . . A 95 ILE HG21 . 11591 1
947 . 1 1 95 95 ILE HG22 H 1 0.741 0.019 . 1 . . . A 95 ILE HG22 . 11591 1
948 . 1 1 95 95 ILE HG23 H 1 0.741 0.019 . 1 . . . A 95 ILE HG23 . 11591 1
949 . 1 1 96 96 ASP CA C 13 53.388 0.05 . 1 . . . A 96 ASP CA . 11591 1
950 . 1 1 96 96 ASP CB C 13 42.319 0.112 . 1 . . . A 96 ASP CB . 11591 1
951 . 1 1 96 96 ASP C C 13 172.932 0.128 . 1 . . . A 96 ASP C . 11591 1
952 . 1 1 96 96 ASP HA H 1 5.042 0.019 . 1 . . . A 96 ASP HA . 11591 1
953 . 1 1 96 96 ASP HB2 H 1 2.89 0.041 . 1 . . . A 96 ASP HB2 . 11591 1
954 . 1 1 96 96 ASP HB3 H 1 2.753 0.069 . 1 . . . A 96 ASP HB3 . 11591 1
955 . 1 1 96 96 ASP H H 1 9.348 0 . 1 . . . A 96 ASP H . 11591 1
956 . 1 1 96 96 ASP N N 15 132.185 0.043 . 1 . . . A 96 ASP N . 11591 1
957 . 1 1 97 97 ASP CA C 13 53.252 0.088 . 1 . . . A 97 ASP CA . 11591 1
958 . 1 1 97 97 ASP CB C 13 41.628 0.11 . 1 . . . A 97 ASP CB . 11591 1
959 . 1 1 97 97 ASP C C 13 174.747 0.077 . 1 . . . A 97 ASP C . 11591 1
960 . 1 1 97 97 ASP HA H 1 5.018 0.02 . 1 . . . A 97 ASP HA . 11591 1
961 . 1 1 97 97 ASP HB2 H 1 2.926 0.009 . 1 . . . A 97 ASP HB2 . 11591 1
962 . 1 1 97 97 ASP HB3 H 1 2.029 0.013 . 1 . . . A 97 ASP HB3 . 11591 1
963 . 1 1 97 97 ASP H H 1 8.719 0.018 . 1 . . . A 97 ASP H . 11591 1
964 . 1 1 97 97 ASP N N 15 126.099 0.132 . 1 . . . A 97 ASP N . 11591 1
965 . 1 1 98 98 ILE CA C 13 59.974 0.104 . 1 . . . A 98 ILE CA . 11591 1
966 . 1 1 98 98 ILE CB C 13 40.264 0.112 . 1 . . . A 98 ILE CB . 11591 1
967 . 1 1 98 98 ILE CD1 C 13 13.463 0.128 . 1 . . . A 98 ILE CD1 . 11591 1
968 . 1 1 98 98 ILE CG1 C 13 26.643 0.102 . 1 . . . A 98 ILE CG1 . 11591 1
969 . 1 1 98 98 ILE CG2 C 13 18.278 0.056 . 1 . . . A 98 ILE CG2 . 11591 1
970 . 1 1 98 98 ILE C C 13 174.579 0.015 . 1 . . . A 98 ILE C . 11591 1
971 . 1 1 98 98 ILE HA H 1 4.118 0.005 . 1 . . . A 98 ILE HA . 11591 1
972 . 1 1 98 98 ILE HB H 1 1.796 0.014 . 1 . . . A 98 ILE HB . 11591 1
973 . 1 1 98 98 ILE HG12 H 1 0.905 0.01 . 1 . . . A 98 ILE HG12 . 11591 1
974 . 1 1 98 98 ILE H H 1 9.102 0.002 . 1 . . . A 98 ILE H . 11591 1
975 . 1 1 98 98 ILE N N 15 128.341 0.024 . 1 . . . A 98 ILE N . 11591 1
976 . 1 1 98 98 ILE HD11 H 1 0.597 0.026 . 1 . . . A 98 ILE HD11 . 11591 1
977 . 1 1 98 98 ILE HD12 H 1 0.597 0.026 . 1 . . . A 98 ILE HD12 . 11591 1
978 . 1 1 98 98 ILE HD13 H 1 0.597 0.026 . 1 . . . A 98 ILE HD13 . 11591 1
979 . 1 1 98 98 ILE HG21 H 1 0.298 0.008 . 1 . . . A 98 ILE HG21 . 11591 1
980 . 1 1 98 98 ILE HG22 H 1 0.298 0.008 . 1 . . . A 98 ILE HG22 . 11591 1
981 . 1 1 98 98 ILE HG23 H 1 0.298 0.008 . 1 . . . A 98 ILE HG23 . 11591 1
982 . 1 1 99 99 THR CA C 13 60.227 0.088 . 1 . . . A 99 THR CA . 11591 1
983 . 1 1 99 99 THR CB C 13 70.791 0.105 . 1 . . . A 99 THR CB . 11591 1
984 . 1 1 99 99 THR CG2 C 13 21.314 0.094 . 1 . . . A 99 THR CG2 . 11591 1
985 . 1 1 99 99 THR C C 13 173.509 0.006 . 1 . . . A 99 THR C . 11591 1
986 . 1 1 99 99 THR HA H 1 4.906 0.007 . 1 . . . A 99 THR HA . 11591 1
987 . 1 1 99 99 THR HB H 1 3.937 0.003 . 1 . . . A 99 THR HB . 11591 1
988 . 1 1 99 99 THR H H 1 8.023 0 . 1 . . . A 99 THR H . 11591 1
989 . 1 1 99 99 THR N N 15 119.292 0.076 . 1 . . . A 99 THR N . 11591 1
990 . 1 1 99 99 THR HG21 H 1 0.98 0.017 . 1 . . . A 99 THR HG21 . 11591 1
991 . 1 1 99 99 THR HG22 H 1 0.98 0.017 . 1 . . . A 99 THR HG22 . 11591 1
992 . 1 1 99 99 THR HG23 H 1 0.98 0.017 . 1 . . . A 99 THR HG23 . 11591 1
993 . 1 1 100 100 PHE CA C 13 54.747 0.091 . 1 . . . A 100 PHE CA . 11591 1
994 . 1 1 100 100 PHE CB C 13 40.57 0.081 . 1 . . . A 100 PHE CB . 11591 1
995 . 1 1 100 100 PHE C C 13 174.61 0.005 . 1 . . . A 100 PHE C . 11591 1
996 . 1 1 100 100 PHE HA H 1 4.983 0.01 . 1 . . . A 100 PHE HA . 11591 1
997 . 1 1 100 100 PHE HB2 H 1 3.264 0.014 . 2 . . . A 100 PHE HB2 . 11591 1
998 . 1 1 100 100 PHE HB3 H 1 3.015 0.031 . 2 . . . A 100 PHE HB3 . 11591 1
999 . 1 1 100 100 PHE H H 1 7.903 0.001 . 1 . . . A 100 PHE H . 11591 1
1000 . 1 1 100 100 PHE N N 15 121.124 0.033 . 1 . . . A 100 PHE N . 11591 1
1001 . 1 1 101 101 THR CA C 13 64.474 0.104 . 1 . . . A 101 THR CA . 11591 1
1002 . 1 1 101 101 THR CB C 13 68.935 0.085 . 1 . . . A 101 THR CB . 11591 1
1003 . 1 1 101 101 THR CG2 C 13 22.647 0.057 . 1 . . . A 101 THR CG2 . 11591 1
1004 . 1 1 101 101 THR C C 13 174.578 0.013 . 1 . . . A 101 THR C . 11591 1
1005 . 1 1 101 101 THR HA H 1 3.891 0.02 . 1 . . . A 101 THR HA . 11591 1
1006 . 1 1 101 101 THR HB H 1 4.067 0.02 . 1 . . . A 101 THR HB . 11591 1
1007 . 1 1 101 101 THR H H 1 8.441 0.001 . 1 . . . A 101 THR H . 11591 1
1008 . 1 1 101 101 THR N N 15 115.768 0.042 . 1 . . . A 101 THR N . 11591 1
1009 . 1 1 101 101 THR HG21 H 1 1.306 0.009 . 1 . . . A 101 THR HG21 . 11591 1
1010 . 1 1 101 101 THR HG22 H 1 1.306 0.009 . 1 . . . A 101 THR HG22 . 11591 1
1011 . 1 1 101 101 THR HG23 H 1 1.306 0.009 . 1 . . . A 101 THR HG23 . 11591 1
1012 . 1 1 102 102 ALA CA C 13 52.97 0.188 . 1 . . . A 102 ALA CA . 11591 1
1013 . 1 1 102 102 ALA CB C 13 19.079 0.119 . 1 . . . A 102 ALA CB . 11591 1
1014 . 1 1 102 102 ALA C C 13 177.926 0.006 . 1 . . . A 102 ALA C . 11591 1
1015 . 1 1 102 102 ALA HA H 1 4.539 0.019 . 1 . . . A 102 ALA HA . 11591 1
1016 . 1 1 102 102 ALA H H 1 8.337 0 . 1 . . . A 102 ALA H . 11591 1
1017 . 1 1 102 102 ALA N N 15 127.861 0.045 . 1 . . . A 102 ALA N . 11591 1
1018 . 1 1 102 102 ALA HB1 H 1 1.243 0.007 . 1 . . . A 102 ALA HB1 . 11591 1
1019 . 1 1 102 102 ALA HB2 H 1 1.243 0.007 . 1 . . . A 102 ALA HB2 . 11591 1
1020 . 1 1 102 102 ALA HB3 H 1 1.243 0.007 . 1 . . . A 102 ALA HB3 . 11591 1
1021 . 1 1 103 103 ARG CA C 13 53.41 0.061 . 1 . . . A 103 ARG CA . 11591 1
1022 . 1 1 103 103 ARG CB C 13 34.341 0.07 . 1 . . . A 103 ARG CB . 11591 1
1023 . 1 1 103 103 ARG C C 13 174.675 0.016 . 1 . . . A 103 ARG C . 11591 1
1024 . 1 1 103 103 ARG HA H 1 4.709 0.028 . 1 . . . A 103 ARG HA . 11591 1
1025 . 1 1 103 103 ARG HB2 H 1 1.917 0.01 . 2 . . . A 103 ARG HB2 . 11591 1
1026 . 1 1 103 103 ARG HB3 H 1 1.667 0.019 . 2 . . . A 103 ARG HB3 . 11591 1
1027 . 1 1 103 103 ARG H H 1 8.745 0.001 . 1 . . . A 103 ARG H . 11591 1
1028 . 1 1 103 103 ARG N N 15 119.005 0.017 . 1 . . . A 103 ARG N . 11591 1
1029 . 1 1 104 104 THR CA C 13 62.153 0.099 . 1 . . . A 104 THR CA . 11591 1
1030 . 1 1 104 104 THR CB C 13 69.089 0.083 . 1 . . . A 104 THR CB . 11591 1
1031 . 1 1 104 104 THR CG2 C 13 21.227 0 . 1 . . . A 104 THR CG2 . 11591 1
1032 . 1 1 104 104 THR C C 13 173.874 0.005 . 1 . . . A 104 THR C . 11591 1
1033 . 1 1 104 104 THR HA H 1 4.565 0.014 . 1 . . . A 104 THR HA . 11591 1
1034 . 1 1 104 104 THR HB H 1 3.765 0.009 . 1 . . . A 104 THR HB . 11591 1
1035 . 1 1 104 104 THR H H 1 8.279 0.001 . 1 . . . A 104 THR H . 11591 1
1036 . 1 1 104 104 THR N N 15 116.538 0.04 . 1 . . . A 104 THR N . 11591 1
1037 . 1 1 104 104 THR HG21 H 1 0.938 0.022 . 1 . . . A 104 THR HG21 . 11591 1
1038 . 1 1 104 104 THR HG22 H 1 0.938 0.022 . 1 . . . A 104 THR HG22 . 11591 1
1039 . 1 1 104 104 THR HG23 H 1 0.938 0.022 . 1 . . . A 104 THR HG23 . 11591 1
1040 . 1 1 105 105 ALA CA C 13 52.084 0.089 . 1 . . . A 105 ALA CA . 11591 1
1041 . 1 1 105 105 ALA CB C 13 23.219 0.107 . 1 . . . A 105 ALA CB . 11591 1
1042 . 1 1 105 105 ALA C C 13 174.269 0.001 . 1 . . . A 105 ALA C . 11591 1
1043 . 1 1 105 105 ALA HA H 1 4.297 0.012 . 1 . . . A 105 ALA HA . 11591 1
1044 . 1 1 105 105 ALA H H 1 9.399 0.001 . 1 . . . A 105 ALA H . 11591 1
1045 . 1 1 105 105 ALA N N 15 128.042 0.036 . 1 . . . A 105 ALA N . 11591 1
1046 . 1 1 105 105 ALA HB1 H 1 1.221 0.009 . 1 . . . A 105 ALA HB1 . 11591 1
1047 . 1 1 105 105 ALA HB2 H 1 1.221 0.009 . 1 . . . A 105 ALA HB2 . 11591 1
1048 . 1 1 105 105 ALA HB3 H 1 1.221 0.009 . 1 . . . A 105 ALA HB3 . 11591 1
1049 . 1 1 106 106 LYS CA C 13 56.139 0.084 . 1 . . . A 106 LYS CA . 11591 1
1050 . 1 1 106 106 LYS CB C 13 35.637 0.052 . 1 . . . A 106 LYS CB . 11591 1
1051 . 1 1 106 106 LYS C C 13 173.191 0.013 . 1 . . . A 106 LYS C . 11591 1
1052 . 1 1 106 106 LYS HA H 1 4.54 0.019 . 1 . . . A 106 LYS HA . 11591 1
1053 . 1 1 106 106 LYS HB2 H 1 1.352 0.041 . 1 . . . A 106 LYS HB2 . 11591 1
1054 . 1 1 106 106 LYS H H 1 8.236 0.003 . 1 . . . A 106 LYS H . 11591 1
1055 . 1 1 106 106 LYS N N 15 120.268 0.035 . 1 . . . A 106 LYS N . 11591 1
1056 . 1 1 107 107 TYR CA C 13 54.605 0.058 . 1 . . . A 107 TYR CA . 11591 1
1057 . 1 1 107 107 TYR CB C 13 42.903 0.043 . 1 . . . A 107 TYR CB . 11591 1
1058 . 1 1 107 107 TYR C C 13 176.458 0 . 1 . . . A 107 TYR C . 11591 1
1059 . 1 1 107 107 TYR HA H 1 5.949 0.023 . 1 . . . A 107 TYR HA . 11591 1
1060 . 1 1 107 107 TYR HB2 H 1 2.706 0.015 . 2 . . . A 107 TYR HB2 . 11591 1
1061 . 1 1 107 107 TYR HB3 H 1 2.367 0.015 . 2 . . . A 107 TYR HB3 . 11591 1
1062 . 1 1 107 107 TYR H H 1 8.135 0.001 . 1 . . . A 107 TYR H . 11591 1
1063 . 1 1 107 107 TYR N N 15 113.442 0.074 . 1 . . . A 107 TYR N . 11591 1
1064 . 1 1 108 108 VAL CA C 13 61.185 0.093 . 1 . . . A 108 VAL CA . 11591 1
1065 . 1 1 108 108 VAL CB C 13 34.086 0.074 . 1 . . . A 108 VAL CB . 11591 1
1066 . 1 1 108 108 VAL C C 13 173.558 0.012 . 1 . . . A 108 VAL C . 11591 1
1067 . 1 1 108 108 VAL HA H 1 5.155 0.019 . 1 . . . A 108 VAL HA . 11591 1
1068 . 1 1 108 108 VAL HB H 1 1.967 0.009 . 1 . . . A 108 VAL HB . 11591 1
1069 . 1 1 108 108 VAL H H 1 8.07 0.002 . 1 . . . A 108 VAL H . 11591 1
1070 . 1 1 108 108 VAL N N 15 119.703 0.035 . 1 . . . A 108 VAL N . 11591 1
1071 . 1 1 109 109 ARG CA C 13 54.265 0.099 . 1 . . . A 109 ARG CA . 11591 1
1072 . 1 1 109 109 ARG CB C 13 38.293 0.082 . 1 . . . A 109 ARG CB . 11591 1
1073 . 1 1 109 109 ARG C C 13 174.925 0.001 . 1 . . . A 109 ARG C . 11591 1
1074 . 1 1 109 109 ARG HA H 1 5.602 0.01 . 1 . . . A 109 ARG HA . 11591 1
1075 . 1 1 109 109 ARG HB2 H 1 1.09 0.015 . 2 . . . A 109 ARG HB2 . 11591 1
1076 . 1 1 109 109 ARG HB3 H 1 0.869 0.05 . 2 . . . A 109 ARG HB3 . 11591 1
1077 . 1 1 109 109 ARG H H 1 9.842 0.001 . 1 . . . A 109 ARG H . 11591 1
1078 . 1 1 109 109 ARG N N 15 128.122 0.021 . 1 . . . A 109 ARG N . 11591 1
1079 . 1 1 110 110 VAL CA C 13 61.472 0.07 . 1 . . . A 110 VAL CA . 11591 1
1080 . 1 1 110 110 VAL CB C 13 33.138 0.1 . 1 . . . A 110 VAL CB . 11591 1
1081 . 1 1 110 110 VAL CG1 C 13 20.109 0.009 . 1 . . . A 110 VAL CG1 . 11591 1
1082 . 1 1 110 110 VAL CG2 C 13 23.234 0.028 . 1 . . . A 110 VAL CG2 . 11591 1
1083 . 1 1 110 110 VAL C C 13 173.649 0.001 . 1 . . . A 110 VAL C . 11591 1
1084 . 1 1 110 110 VAL HA H 1 4.812 0.021 . 1 . . . A 110 VAL HA . 11591 1
1085 . 1 1 110 110 VAL HB H 1 1.612 0.012 . 1 . . . A 110 VAL HB . 11591 1
1086 . 1 1 110 110 VAL H H 1 8.842 0.003 . 1 . . . A 110 VAL H . 11591 1
1087 . 1 1 110 110 VAL N N 15 125.108 0.04 . 1 . . . A 110 VAL N . 11591 1
1088 . 1 1 110 110 VAL HG11 H 1 0.684 0.007 . 2 . . . A 110 VAL HG11 . 11591 1
1089 . 1 1 110 110 VAL HG12 H 1 0.684 0.007 . 2 . . . A 110 VAL HG12 . 11591 1
1090 . 1 1 110 110 VAL HG13 H 1 0.684 0.007 . 2 . . . A 110 VAL HG13 . 11591 1
1091 . 1 1 110 110 VAL HG21 H 1 0.297 0.014 . 2 . . . A 110 VAL HG21 . 11591 1
1092 . 1 1 110 110 VAL HG22 H 1 0.297 0.014 . 2 . . . A 110 VAL HG22 . 11591 1
1093 . 1 1 110 110 VAL HG23 H 1 0.297 0.014 . 2 . . . A 110 VAL HG23 . 11591 1
1094 . 1 1 111 111 HIS CA C 13 55.985 0.084 . 1 . . . A 111 HIS CA . 11591 1
1095 . 1 1 111 111 HIS C C 13 173.563 0.011 . 1 . . . A 111 HIS C . 11591 1
1096 . 1 1 111 111 HIS HA H 1 4.859 0.011 . 1 . . . A 111 HIS HA . 11591 1
1097 . 1 1 111 111 HIS HB2 H 1 1.66 0.004 . 1 . . . A 111 HIS HB2 . 11591 1
1098 . 1 1 111 111 HIS H H 1 8.992 0.002 . 1 . . . A 111 HIS H . 11591 1
1099 . 1 1 111 111 HIS N N 15 130.747 0.042 . 1 . . . A 111 HIS N . 11591 1
1100 . 1 1 112 112 GLY CA C 13 44.66 0.086 . 1 . . . A 112 GLY CA . 11591 1
1101 . 1 1 112 112 GLY C C 13 171.172 0 . 1 . . . A 112 GLY C . 11591 1
1102 . 1 1 112 112 GLY HA2 H 1 4.87 0.011 . 2 . . . A 112 GLY HA2 . 11591 1
1103 . 1 1 112 112 GLY HA3 H 1 3.356 0.018 . 2 . . . A 112 GLY HA3 . 11591 1
1104 . 1 1 112 112 GLY H H 1 9.208 0 . 1 . . . A 112 GLY H . 11591 1
1105 . 1 1 112 112 GLY N N 15 113.865 0.015 . 1 . . . A 112 GLY N . 11591 1
1106 . 1 1 113 113 THR CA C 13 61.597 0.112 . 1 . . . A 113 THR CA . 11591 1
1107 . 1 1 113 113 THR CB C 13 70.428 0.066 . 1 . . . A 113 THR CB . 11591 1
1108 . 1 1 113 113 THR CG2 C 13 22.769 0 . 1 . . . A 113 THR CG2 . 11591 1
1109 . 1 1 113 113 THR C C 13 175.039 0.025 . 1 . . . A 113 THR C . 11591 1
1110 . 1 1 113 113 THR HA H 1 4.463 0.009 . 1 . . . A 113 THR HA . 11591 1
1111 . 1 1 113 113 THR HB H 1 4.179 0.01 . 1 . . . A 113 THR HB . 11591 1
1112 . 1 1 113 113 THR H H 1 8.075 0.003 . 1 . . . A 113 THR H . 11591 1
1113 . 1 1 113 113 THR N N 15 108.769 0.043 . 1 . . . A 113 THR N . 11591 1
1114 . 1 1 114 114 VAL CA C 13 61.492 0.08 . 1 . . . A 114 VAL CA . 11591 1
1115 . 1 1 114 114 VAL CB C 13 35.135 0.061 . 1 . . . A 114 VAL CB . 11591 1
1116 . 1 1 114 114 VAL CG1 C 13 20.989 0 . 1 . . . A 114 VAL CG1 . 11591 1
1117 . 1 1 114 114 VAL C C 13 176.264 0.004 . 1 . . . A 114 VAL C . 11591 1
1118 . 1 1 114 114 VAL HA H 1 4.36 0.009 . 1 . . . A 114 VAL HA . 11591 1
1119 . 1 1 114 114 VAL HB H 1 1.594 0.009 . 1 . . . A 114 VAL HB . 11591 1
1120 . 1 1 114 114 VAL H H 1 7.372 0.001 . 1 . . . A 114 VAL H . 11591 1
1121 . 1 1 114 114 VAL N N 15 119.373 0.041 . 1 . . . A 114 VAL N . 11591 1
1122 . 1 1 114 114 VAL HG11 H 1 0.761 0.043 . 2 . . . A 114 VAL HG11 . 11591 1
1123 . 1 1 114 114 VAL HG12 H 1 0.761 0.043 . 2 . . . A 114 VAL HG12 . 11591 1
1124 . 1 1 114 114 VAL HG13 H 1 0.761 0.043 . 2 . . . A 114 VAL HG13 . 11591 1
1125 . 1 1 114 114 VAL HG21 H 1 0.801 0.012 . 2 . . . A 114 VAL HG21 . 11591 1
1126 . 1 1 114 114 VAL HG22 H 1 0.801 0.012 . 2 . . . A 114 VAL HG22 . 11591 1
1127 . 1 1 114 114 VAL HG23 H 1 0.801 0.012 . 2 . . . A 114 VAL HG23 . 11591 1
1128 . 1 1 115 115 ARG CA C 13 55.927 0.089 . 1 . . . A 115 ARG CA . 11591 1
1129 . 1 1 115 115 ARG CB C 13 32.804 0.062 . 1 . . . A 115 ARG CB . 11591 1
1130 . 1 1 115 115 ARG CG C 13 31.464 0.011 . 1 . . . A 115 ARG CG . 11591 1
1131 . 1 1 115 115 ARG C C 13 176.905 0.009 . 1 . . . A 115 ARG C . 11591 1
1132 . 1 1 115 115 ARG H H 1 8.744 0.011 . 1 . . . A 115 ARG H . 11591 1
1133 . 1 1 115 115 ARG HA H 1 3.556 0.009 . 1 . . . A 115 ARG HA . 11591 1
1134 . 1 1 115 115 ARG HB2 H 1 1.966 0.027 . 2 . . . A 115 ARG HB2 . 11591 1
1135 . 1 1 115 115 ARG HB3 H 1 1.266 0.022 . 2 . . . A 115 ARG HB3 . 11591 1
1136 . 1 1 115 115 ARG HG2 H 1 2.279 0.017 . 2 . . . A 115 ARG HG2 . 11591 1
1137 . 1 1 115 115 ARG HG3 H 1 2.235 0.005 . 2 . . . A 115 ARG HG3 . 11591 1
1138 . 1 1 115 115 ARG N N 15 128.637 0.049 . 1 . . . A 115 ARG N . 11591 1
1139 . 1 1 116 116 GLY CA C 13 43.595 0.087 . 1 . . . A 116 GLY CA . 11591 1
1140 . 1 1 116 116 GLY C C 13 172.007 0.032 . 1 . . . A 116 GLY C . 11591 1
1141 . 1 1 116 116 GLY HA2 H 1 3.698 0.015 . 2 . . . A 116 GLY HA2 . 11591 1
1142 . 1 1 116 116 GLY HA3 H 1 2.168 0.025 . 2 . . . A 116 GLY HA3 . 11591 1
1143 . 1 1 116 116 GLY H H 1 7.658 0 . 1 . . . A 116 GLY H . 11591 1
1144 . 1 1 116 116 GLY N N 15 104.507 0.031 . 1 . . . A 116 GLY N . 11591 1
1145 . 1 1 117 117 THR CA C 13 59.856 0.087 . 1 . . . A 117 THR CA . 11591 1
1146 . 1 1 117 117 THR CB C 13 70.209 0.043 . 1 . . . A 117 THR CB . 11591 1
1147 . 1 1 117 117 THR CG2 C 13 22.065 0 . 1 . . . A 117 THR CG2 . 11591 1
1148 . 1 1 117 117 THR C C 13 173.033 0 . 1 . . . A 117 THR C . 11591 1
1149 . 1 1 117 117 THR HA H 1 4.696 0.008 . 1 . . . A 117 THR HA . 11591 1
1150 . 1 1 117 117 THR HB H 1 4.043 0.015 . 1 . . . A 117 THR HB . 11591 1
1151 . 1 1 117 117 THR H H 1 6.925 0.001 . 1 . . . A 117 THR H . 11591 1
1152 . 1 1 117 117 THR N N 15 109.59 0.027 . 1 . . . A 117 THR N . 11591 1
1153 . 1 1 117 117 THR HG21 H 1 0.982 0.035 . 1 . . . A 117 THR HG21 . 11591 1
1154 . 1 1 117 117 THR HG22 H 1 0.982 0.035 . 1 . . . A 117 THR HG22 . 11591 1
1155 . 1 1 117 117 THR HG23 H 1 0.982 0.035 . 1 . . . A 117 THR HG23 . 11591 1
1156 . 1 1 118 118 PRO CA C 13 61.883 0.256 . 1 . . . A 118 PRO CA . 11591 1
1157 . 1 1 118 118 PRO CB C 13 30.876 0.119 . 1 . . . A 118 PRO CB . 11591 1
1158 . 1 1 118 118 PRO CD C 13 50.51 0.081 . 1 . . . A 118 PRO CD . 11591 1
1159 . 1 1 118 118 PRO C C 13 175.833 0 . 1 . . . A 118 PRO C . 11591 1
1160 . 1 1 118 118 PRO HA H 1 4.191 0.011 . 1 . . . A 118 PRO HA . 11591 1
1161 . 1 1 118 118 PRO HB2 H 1 1.846 0.012 . 2 . . . A 118 PRO HB2 . 11591 1
1162 . 1 1 118 118 PRO HB3 H 1 1.194 0.006 . 2 . . . A 118 PRO HB3 . 11591 1
1163 . 1 1 118 118 PRO HD2 H 1 2.869 0.01 . 2 . . . A 118 PRO HD2 . 11591 1
1164 . 1 1 118 118 PRO HD3 H 1 3.392 0.023 . 2 . . . A 118 PRO HD3 . 11591 1
1165 . 1 1 119 119 TYR CA C 13 56.432 0.074 . 1 . . . A 119 TYR CA . 11591 1
1166 . 1 1 119 119 TYR CB C 13 35.277 0.091 . 1 . . . A 119 TYR CB . 11591 1
1167 . 1 1 119 119 TYR C C 13 174.612 0 . 1 . . . A 119 TYR C . 11591 1
1168 . 1 1 119 119 TYR HA H 1 4.407 0.01 . 1 . . . A 119 TYR HA . 11591 1
1169 . 1 1 119 119 TYR HB2 H 1 3.041 0.017 . 2 . . . A 119 TYR HB2 . 11591 1
1170 . 1 1 119 119 TYR HB3 H 1 2.372 0.011 . 2 . . . A 119 TYR HB3 . 11591 1
1171 . 1 1 119 119 TYR H H 1 7.144 0 . 1 . . . A 119 TYR H . 11591 1
1172 . 1 1 119 119 TYR N N 15 120.715 0.046 . 1 . . . A 119 TYR N . 11591 1
1173 . 1 1 120 120 GLY CA C 13 44.621 0.092 . 1 . . . A 120 GLY CA . 11591 1
1174 . 1 1 120 120 GLY C C 13 168.878 0 . 1 . . . A 120 GLY C . 11591 1
1175 . 1 1 120 120 GLY H H 1 8.277 0.01 . 1 . . . A 120 GLY H . 11591 1
1176 . 1 1 120 120 GLY HA2 H 1 4.816 0.02 . 2 . . . A 120 GLY HA2 . 11591 1
1177 . 1 1 120 120 GLY HA3 H 1 2.687 0.012 . 2 . . . A 120 GLY HA3 . 11591 1
1178 . 1 1 120 120 GLY N N 15 116.695 0.109 . 1 . . . A 120 GLY N . 11591 1
1179 . 1 1 121 121 TYR CA C 13 56.115 0.152 . 1 . . . A 121 TYR CA . 11591 1
1180 . 1 1 121 121 TYR CB C 13 41.256 0.17 . 1 . . . A 121 TYR CB . 11591 1
1181 . 1 1 121 121 TYR C C 13 175.768 0.007 . 1 . . . A 121 TYR C . 11591 1
1182 . 1 1 121 121 TYR HA H 1 4.409 0.013 . 1 . . . A 121 TYR HA . 11591 1
1183 . 1 1 121 121 TYR HB2 H 1 2.422 0.014 . 2 . . . A 121 TYR HB2 . 11591 1
1184 . 1 1 121 121 TYR H H 1 7.562 0.001 . 1 . . . A 121 TYR H . 11591 1
1185 . 1 1 121 121 TYR N N 15 121.161 0.048 . 1 . . . A 121 TYR N . 11591 1
1186 . 1 1 122 122 SER CA C 13 55.92 0.178 . 1 . . . A 122 SER CA . 11591 1
1187 . 1 1 122 122 SER CB C 13 63.216 0.049 . 1 . . . A 122 SER CB . 11591 1
1188 . 1 1 122 122 SER C C 13 172.875 0.008 . 1 . . . A 122 SER C . 11591 1
1189 . 1 1 122 122 SER HA H 1 4.617 0.013 . 1 . . . A 122 SER HA . 11591 1
1190 . 1 1 122 122 SER HB2 H 1 3.675 0.016 . 2 . . . A 122 SER HB2 . 11591 1
1191 . 1 1 122 122 SER HB3 H 1 3.135 0.011 . 2 . . . A 122 SER HB3 . 11591 1
1192 . 1 1 122 122 SER H H 1 8.781 0 . 1 . . . A 122 SER H . 11591 1
1193 . 1 1 122 122 SER N N 15 112.696 0.076 . 1 . . . A 122 SER N . 11591 1
1194 . 1 1 123 123 LEU CA C 13 53.204 0.086 . 1 . . . A 123 LEU CA . 11591 1
1195 . 1 1 123 123 LEU CB C 13 47.472 0.031 . 1 . . . A 123 LEU CB . 11591 1
1196 . 1 1 123 123 LEU CD1 C 13 26.373 0.039 . 2 . . . A 123 LEU CD1 . 11591 1
1197 . 1 1 123 123 LEU CD2 C 13 25.238 0.113 . 2 . . . A 123 LEU CD2 . 11591 1
1198 . 1 1 123 123 LEU CG C 13 26.664 0.036 . 1 . . . A 123 LEU CG . 11591 1
1199 . 1 1 123 123 LEU C C 13 175.469 0.017 . 1 . . . A 123 LEU C . 11591 1
1200 . 1 1 123 123 LEU HA H 1 4.634 0.024 . 1 . . . A 123 LEU HA . 11591 1
1201 . 1 1 123 123 LEU HB2 H 1 1.497 0.013 . 2 . . . A 123 LEU HB2 . 11591 1
1202 . 1 1 123 123 LEU HB3 H 1 0.907 0.011 . 2 . . . A 123 LEU HB3 . 11591 1
1203 . 1 1 123 123 LEU HG H 1 1.144 0.01 . 1 . . . A 123 LEU HG . 11591 1
1204 . 1 1 123 123 LEU H H 1 7.514 0.002 . 1 . . . A 123 LEU H . 11591 1
1205 . 1 1 123 123 LEU N N 15 126.041 0.077 . 1 . . . A 123 LEU N . 11591 1
1206 . 1 1 123 123 LEU HD11 H 1 0.454 0.01 . 2 . . . A 123 LEU HD11 . 11591 1
1207 . 1 1 123 123 LEU HD12 H 1 0.454 0.01 . 2 . . . A 123 LEU HD12 . 11591 1
1208 . 1 1 123 123 LEU HD13 H 1 0.454 0.01 . 2 . . . A 123 LEU HD13 . 11591 1
1209 . 1 1 123 123 LEU HD21 H 1 -0.609 0.014 . 2 . . . A 123 LEU HD21 . 11591 1
1210 . 1 1 123 123 LEU HD22 H 1 -0.609 0.014 . 2 . . . A 123 LEU HD22 . 11591 1
1211 . 1 1 123 123 LEU HD23 H 1 -0.609 0.014 . 2 . . . A 123 LEU HD23 . 11591 1
1212 . 1 1 124 124 TRP CA C 13 58.067 0.123 . 1 . . . A 124 TRP CA . 11591 1
1213 . 1 1 124 124 TRP CB C 13 30.845 0.11 . 1 . . . A 124 TRP CB . 11591 1
1214 . 1 1 124 124 TRP CD1 C 13 129.168 0.037 . 1 . . . A 124 TRP CD1 . 11591 1
1215 . 1 1 124 124 TRP C C 13 178.393 0.004 . 1 . . . A 124 TRP C . 11591 1
1216 . 1 1 124 124 TRP CZ2 C 13 114.638 0.198 . 1 . . . A 124 TRP CZ2 . 11591 1
1217 . 1 1 124 124 TRP HA H 1 4.778 0.027 . 1 . . . A 124 TRP HA . 11591 1
1218 . 1 1 124 124 TRP HB2 H 1 3.163 0.009 . 2 . . . A 124 TRP HB2 . 11591 1
1219 . 1 1 124 124 TRP HB3 H 1 2.926 0.015 . 2 . . . A 124 TRP HB3 . 11591 1
1220 . 1 1 124 124 TRP HD1 H 1 6.84 0.005 . 1 . . . A 124 TRP HD1 . 11591 1
1221 . 1 1 124 124 TRP HE1 H 1 10.291 0.005 . 1 . . . A 124 TRP HE1 . 11591 1
1222 . 1 1 124 124 TRP H H 1 8.807 0.002 . 1 . . . A 124 TRP H . 11591 1
1223 . 1 1 124 124 TRP HZ2 H 1 7.436 0.013 . 1 . . . A 124 TRP HZ2 . 11591 1
1224 . 1 1 124 124 TRP N N 15 122.342 0.059 . 1 . . . A 124 TRP N . 11591 1
1225 . 1 1 124 124 TRP NE1 N 15 129.243 0.027 . 1 . . . A 124 TRP NE1 . 11591 1
1226 . 1 1 125 125 GLU CA C 13 54.973 0.136 . 1 . . . A 125 GLU CA . 11591 1
1227 . 1 1 125 125 GLU CB C 13 38.347 0.083 . 1 . . . A 125 GLU CB . 11591 1
1228 . 1 1 125 125 GLU C C 13 173.385 0.009 . 1 . . . A 125 GLU C . 11591 1
1229 . 1 1 125 125 GLU HA H 1 4.645 0.026 . 1 . . . A 125 GLU HA . 11591 1
1230 . 1 1 125 125 GLU HB2 H 1 1.891 0.035 . 1 . . . A 125 GLU HB2 . 11591 1
1231 . 1 1 125 125 GLU HB3 H 1 1.966 0.002 . 1 . . . A 125 GLU HB3 . 11591 1
1232 . 1 1 125 125 GLU H H 1 7.367 0.001 . 1 . . . A 125 GLU H . 11591 1
1233 . 1 1 125 125 GLU N N 15 115.477 0.06 . 1 . . . A 125 GLU N . 11591 1
1234 . 1 1 126 126 PHE CA C 13 53.533 0.084 . 1 . . . A 126 PHE CA . 11591 1
1235 . 1 1 126 126 PHE CB C 13 40.123 0.096 . 1 . . . A 126 PHE CB . 11591 1
1236 . 1 1 126 126 PHE C C 13 172.95 0.01 . 1 . . . A 126 PHE C . 11591 1
1237 . 1 1 126 126 PHE HA H 1 4.859 0.019 . 1 . . . A 126 PHE HA . 11591 1
1238 . 1 1 126 126 PHE HB2 H 1 2.645 0.019 . 2 . . . A 126 PHE HB2 . 11591 1
1239 . 1 1 126 126 PHE HB3 H 1 2.186 0.015 . 2 . . . A 126 PHE HB3 . 11591 1
1240 . 1 1 126 126 PHE H H 1 8.355 0 . 1 . . . A 126 PHE H . 11591 1
1241 . 1 1 126 126 PHE N N 15 126.946 0.073 . 1 . . . A 126 PHE N . 11591 1
1242 . 1 1 127 127 GLU CA C 13 53.647 0.135 . 1 . . . A 127 GLU CA . 11591 1
1243 . 1 1 127 127 GLU CB C 13 33.264 0.058 . 1 . . . A 127 GLU CB . 11591 1
1244 . 1 1 127 127 GLU C C 13 175.637 0.033 . 1 . . . A 127 GLU C . 11591 1
1245 . 1 1 127 127 GLU HA H 1 4.708 0.029 . 1 . . . A 127 GLU HA . 11591 1
1246 . 1 1 127 127 GLU HB2 H 1 2.131 0.012 . 2 . . . A 127 GLU HB2 . 11591 1
1247 . 1 1 127 127 GLU HB3 H 1 1.548 0.037 . 2 . . . A 127 GLU HB3 . 11591 1
1248 . 1 1 127 127 GLU H H 1 9.36 0.002 . 1 . . . A 127 GLU H . 11591 1
1249 . 1 1 127 127 GLU N N 15 124.159 0.053 . 1 . . . A 127 GLU N . 11591 1
1250 . 1 1 128 128 VAL CA C 13 61.199 0.128 . 1 . . . A 128 VAL CA . 11591 1
1251 . 1 1 128 128 VAL CB C 13 35.697 0.133 . 1 . . . A 128 VAL CB . 11591 1
1252 . 1 1 128 128 VAL CG1 C 13 20.846 0.068 . 1 . . . A 128 VAL CG1 . 11591 1
1253 . 1 1 128 128 VAL C C 13 172.011 0.002 . 1 . . . A 128 VAL C . 11591 1
1254 . 1 1 128 128 VAL HA H 1 4.856 0.028 . 1 . . . A 128 VAL HA . 11591 1
1255 . 1 1 128 128 VAL HB H 1 1.511 0.043 . 1 . . . A 128 VAL HB . 11591 1
1256 . 1 1 128 128 VAL H H 1 7.254 0.001 . 1 . . . A 128 VAL H . 11591 1
1257 . 1 1 128 128 VAL N N 15 119.897 0.069 . 1 . . . A 128 VAL N . 11591 1
1258 . 1 1 128 128 VAL HG11 H 1 0.679 0.022 . 1 . . . A 128 VAL HG11 . 11591 1
1259 . 1 1 128 128 VAL HG12 H 1 0.679 0.022 . 1 . . . A 128 VAL HG12 . 11591 1
1260 . 1 1 128 128 VAL HG13 H 1 0.679 0.022 . 1 . . . A 128 VAL HG13 . 11591 1
1261 . 1 1 129 129 TYR CA C 13 56.202 0.07 . 1 . . . A 129 TYR CA . 11591 1
1262 . 1 1 129 129 TYR CB C 13 43.677 0.147 . 1 . . . A 129 TYR CB . 11591 1
1263 . 1 1 129 129 TYR C C 13 173.899 0.005 . 1 . . . A 129 TYR C . 11591 1
1264 . 1 1 129 129 TYR HA H 1 5.062 0.02 . 1 . . . A 129 TYR HA . 11591 1
1265 . 1 1 129 129 TYR HB2 H 1 3.251 0.017 . 2 . . . A 129 TYR HB2 . 11591 1
1266 . 1 1 129 129 TYR HB3 H 1 2.518 0.022 . 2 . . . A 129 TYR HB3 . 11591 1
1267 . 1 1 129 129 TYR H H 1 9.254 0.002 . 1 . . . A 129 TYR H . 11591 1
1268 . 1 1 129 129 TYR N N 15 123.471 0.039 . 1 . . . A 129 TYR N . 11591 1
1269 . 1 1 130 130 GLY CA C 13 46.375 0.048 . 1 . . . A 130 GLY CA . 11591 1
1270 . 1 1 130 130 GLY C C 13 179.236 0 . 1 . . . A 130 GLY C . 11591 1
1271 . 1 1 130 130 GLY HA2 H 1 4.105 0.013 . 2 . . . A 130 GLY HA2 . 11591 1
1272 . 1 1 130 130 GLY HA3 H 1 3.767 0 . 2 . . . A 130 GLY HA3 . 11591 1
1273 . 1 1 130 130 GLY H H 1 8.711 0.002 . 1 . . . A 130 GLY H . 11591 1
1274 . 1 1 130 130 GLY N N 15 114.537 0.073 . 1 . . . A 130 GLY N . 11591 1
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