###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_1
_Assigned_chem_shift_list.Entry_ID 11353
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11353 1
2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11353 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $XWINNMR . . 11353 1
2 $NMRPipe . . 11353 1
3 $NMRView . . 11353 1
4 $Kujira . . 11353 1
5 $CYANA . . 11353 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 5 5 SER HA H 1 4.486 0.030 . 1 . . . . 5 SER HA . 11353 1
2 . 1 1 5 5 SER HB2 H 1 3.856 0.030 . 1 . . . . 5 SER HB2 . 11353 1
3 . 1 1 5 5 SER HB3 H 1 3.856 0.030 . 1 . . . . 5 SER HB3 . 11353 1
4 . 1 1 5 5 SER C C 13 174.576 0.300 . 1 . . . . 5 SER C . 11353 1
5 . 1 1 5 5 SER CA C 13 58.163 0.300 . 1 . . . . 5 SER CA . 11353 1
6 . 1 1 5 5 SER CB C 13 64.013 0.300 . 1 . . . . 5 SER CB . 11353 1
7 . 1 1 6 6 SER H H 1 8.348 0.030 . 1 . . . . 6 SER H . 11353 1
8 . 1 1 6 6 SER HA H 1 4.431 0.030 . 1 . . . . 6 SER HA . 11353 1
9 . 1 1 6 6 SER HB2 H 1 3.812 0.030 . 1 . . . . 6 SER HB2 . 11353 1
10 . 1 1 6 6 SER HB3 H 1 3.812 0.030 . 1 . . . . 6 SER HB3 . 11353 1
11 . 1 1 6 6 SER C C 13 174.139 0.300 . 1 . . . . 6 SER C . 11353 1
12 . 1 1 6 6 SER CA C 13 58.504 0.300 . 1 . . . . 6 SER CA . 11353 1
13 . 1 1 6 6 SER CB C 13 63.957 0.300 . 1 . . . . 6 SER CB . 11353 1
14 . 1 1 6 6 SER N N 15 117.629 0.300 . 1 . . . . 6 SER N . 11353 1
15 . 1 1 7 7 GLY H H 1 8.033 0.030 . 1 . . . . 7 GLY H . 11353 1
16 . 1 1 7 7 GLY HA2 H 1 3.739 0.030 . 2 . . . . 7 GLY HA2 . 11353 1
17 . 1 1 7 7 GLY HA3 H 1 3.660 0.030 . 2 . . . . 7 GLY HA3 . 11353 1
18 . 1 1 7 7 GLY C C 13 172.608 0.300 . 1 . . . . 7 GLY C . 11353 1
19 . 1 1 7 7 GLY CA C 13 44.822 0.300 . 1 . . . . 7 GLY CA . 11353 1
20 . 1 1 7 7 GLY N N 15 109.596 0.300 . 1 . . . . 7 GLY N . 11353 1
21 . 1 1 8 8 TYR H H 1 8.102 0.030 . 1 . . . . 8 TYR H . 11353 1
22 . 1 1 8 8 TYR HA H 1 4.796 0.030 . 1 . . . . 8 TYR HA . 11353 1
23 . 1 1 8 8 TYR HB2 H 1 2.964 0.030 . 2 . . . . 8 TYR HB2 . 11353 1
24 . 1 1 8 8 TYR HB3 H 1 2.472 0.030 . 2 . . . . 8 TYR HB3 . 11353 1
25 . 1 1 8 8 TYR HD1 H 1 7.110 0.030 . 1 . . . . 8 TYR HD1 . 11353 1
26 . 1 1 8 8 TYR HD2 H 1 7.110 0.030 . 1 . . . . 8 TYR HD2 . 11353 1
27 . 1 1 8 8 TYR HE1 H 1 6.811 0.030 . 1 . . . . 8 TYR HE1 . 11353 1
28 . 1 1 8 8 TYR HE2 H 1 6.811 0.030 . 1 . . . . 8 TYR HE2 . 11353 1
29 . 1 1 8 8 TYR C C 13 174.172 0.300 . 1 . . . . 8 TYR C . 11353 1
30 . 1 1 8 8 TYR CA C 13 57.050 0.300 . 1 . . . . 8 TYR CA . 11353 1
31 . 1 1 8 8 TYR CB C 13 40.938 0.300 . 1 . . . . 8 TYR CB . 11353 1
32 . 1 1 8 8 TYR CD1 C 13 132.988 0.300 . 1 . . . . 8 TYR CD1 . 11353 1
33 . 1 1 8 8 TYR CD2 C 13 132.988 0.300 . 1 . . . . 8 TYR CD2 . 11353 1
34 . 1 1 8 8 TYR CE1 C 13 118.234 0.300 . 1 . . . . 8 TYR CE1 . 11353 1
35 . 1 1 8 8 TYR CE2 C 13 118.234 0.300 . 1 . . . . 8 TYR CE2 . 11353 1
36 . 1 1 8 8 TYR N N 15 119.420 0.300 . 1 . . . . 8 TYR N . 11353 1
37 . 1 1 9 9 CYS H H 1 7.558 0.030 . 1 . . . . 9 CYS H . 11353 1
38 . 1 1 9 9 CYS HA H 1 3.720 0.030 . 1 . . . . 9 CYS HA . 11353 1
39 . 1 1 9 9 CYS HB2 H 1 4.360 0.030 . 2 . . . . 9 CYS HB2 . 11353 1
40 . 1 1 9 9 CYS HB3 H 1 2.379 0.030 . 2 . . . . 9 CYS HB3 . 11353 1
41 . 1 1 9 9 CYS C C 13 175.086 0.300 . 1 . . . . 9 CYS C . 11353 1
42 . 1 1 9 9 CYS CA C 13 59.167 0.300 . 1 . . . . 9 CYS CA . 11353 1
43 . 1 1 9 9 CYS CB C 13 30.009 0.300 . 1 . . . . 9 CYS CB . 11353 1
44 . 1 1 9 9 CYS N N 15 118.482 0.300 . 1 . . . . 9 CYS N . 11353 1
45 . 1 1 10 10 ILE H H 1 10.140 0.030 . 1 . . . . 10 ILE H . 11353 1
46 . 1 1 10 10 ILE HA H 1 4.531 0.030 . 1 . . . . 10 ILE HA . 11353 1
47 . 1 1 10 10 ILE HB H 1 2.299 0.030 . 1 . . . . 10 ILE HB . 11353 1
48 . 1 1 10 10 ILE HD11 H 1 1.136 0.030 . 1 . . . . 10 ILE HD1 . 11353 1
49 . 1 1 10 10 ILE HD12 H 1 1.136 0.030 . 1 . . . . 10 ILE HD1 . 11353 1
50 . 1 1 10 10 ILE HD13 H 1 1.136 0.030 . 1 . . . . 10 ILE HD1 . 11353 1
51 . 1 1 10 10 ILE HG12 H 1 1.710 0.030 . 2 . . . . 10 ILE HG12 . 11353 1
52 . 1 1 10 10 ILE HG13 H 1 1.591 0.030 . 2 . . . . 10 ILE HG13 . 11353 1
53 . 1 1 10 10 ILE HG21 H 1 1.301 0.030 . 1 . . . . 10 ILE HG2 . 11353 1
54 . 1 1 10 10 ILE HG22 H 1 1.301 0.030 . 1 . . . . 10 ILE HG2 . 11353 1
55 . 1 1 10 10 ILE HG23 H 1 1.301 0.030 . 1 . . . . 10 ILE HG2 . 11353 1
56 . 1 1 10 10 ILE C C 13 176.916 0.300 . 1 . . . . 10 ILE C . 11353 1
57 . 1 1 10 10 ILE CA C 13 62.848 0.300 . 1 . . . . 10 ILE CA . 11353 1
58 . 1 1 10 10 ILE CB C 13 39.260 0.300 . 1 . . . . 10 ILE CB . 11353 1
59 . 1 1 10 10 ILE CD1 C 13 14.234 0.300 . 1 . . . . 10 ILE CD1 . 11353 1
60 . 1 1 10 10 ILE CG1 C 13 27.889 0.300 . 1 . . . . 10 ILE CG1 . 11353 1
61 . 1 1 10 10 ILE CG2 C 13 19.585 0.300 . 1 . . . . 10 ILE CG2 . 11353 1
62 . 1 1 10 10 ILE N N 15 121.899 0.300 . 1 . . . . 10 ILE N . 11353 1
63 . 1 1 11 11 CYS H H 1 7.839 0.030 . 1 . . . . 11 CYS H . 11353 1
64 . 1 1 11 11 CYS HA H 1 4.732 0.030 . 1 . . . . 11 CYS HA . 11353 1
65 . 1 1 11 11 CYS HB2 H 1 3.310 0.030 . 2 . . . . 11 CYS HB2 . 11353 1
66 . 1 1 11 11 CYS HB3 H 1 3.209 0.030 . 2 . . . . 11 CYS HB3 . 11353 1
67 . 1 1 11 11 CYS C C 13 175.995 0.300 . 1 . . . . 11 CYS C . 11353 1
68 . 1 1 11 11 CYS CA C 13 57.694 0.300 . 1 . . . . 11 CYS CA . 11353 1
69 . 1 1 11 11 CYS CB C 13 31.865 0.300 . 1 . . . . 11 CYS CB . 11353 1
70 . 1 1 11 11 CYS N N 15 118.761 0.300 . 1 . . . . 11 CYS N . 11353 1
71 . 1 1 12 12 ASN H H 1 8.271 0.030 . 1 . . . . 12 ASN H . 11353 1
72 . 1 1 12 12 ASN HA H 1 4.586 0.030 . 1 . . . . 12 ASN HA . 11353 1
73 . 1 1 12 12 ASN HB2 H 1 3.183 0.030 . 2 . . . . 12 ASN HB2 . 11353 1
74 . 1 1 12 12 ASN HB3 H 1 2.773 0.030 . 2 . . . . 12 ASN HB3 . 11353 1
75 . 1 1 12 12 ASN HD21 H 1 7.488 0.030 . 2 . . . . 12 ASN HD21 . 11353 1
76 . 1 1 12 12 ASN HD22 H 1 6.769 0.030 . 2 . . . . 12 ASN HD22 . 11353 1
77 . 1 1 12 12 ASN C C 13 174.238 0.300 . 1 . . . . 12 ASN C . 11353 1
78 . 1 1 12 12 ASN CA C 13 55.142 0.300 . 1 . . . . 12 ASN CA . 11353 1
79 . 1 1 12 12 ASN CB C 13 37.840 0.300 . 1 . . . . 12 ASN CB . 11353 1
80 . 1 1 12 12 ASN N N 15 120.651 0.300 . 1 . . . . 12 ASN N . 11353 1
81 . 1 1 12 12 ASN ND2 N 15 112.034 0.300 . 1 . . . . 12 ASN ND2 . 11353 1
82 . 1 1 13 13 GLN H H 1 8.245 0.030 . 1 . . . . 13 GLN H . 11353 1
83 . 1 1 13 13 GLN HA H 1 4.811 0.030 . 1 . . . . 13 GLN HA . 11353 1
84 . 1 1 13 13 GLN HB2 H 1 2.379 0.030 . 2 . . . . 13 GLN HB2 . 11353 1
85 . 1 1 13 13 GLN HB3 H 1 2.292 0.030 . 2 . . . . 13 GLN HB3 . 11353 1
86 . 1 1 13 13 GLN HE21 H 1 6.848 0.030 . 2 . . . . 13 GLN HE21 . 11353 1
87 . 1 1 13 13 GLN HE22 H 1 7.509 0.030 . 2 . . . . 13 GLN HE22 . 11353 1
88 . 1 1 13 13 GLN HG2 H 1 2.518 0.030 . 2 . . . . 13 GLN HG2 . 11353 1
89 . 1 1 13 13 GLN HG3 H 1 2.438 0.030 . 2 . . . . 13 GLN HG3 . 11353 1
90 . 1 1 13 13 GLN C C 13 175.709 0.300 . 1 . . . . 13 GLN C . 11353 1
91 . 1 1 13 13 GLN CA C 13 54.708 0.300 . 1 . . . . 13 GLN CA . 11353 1
92 . 1 1 13 13 GLN CB C 13 31.803 0.300 . 1 . . . . 13 GLN CB . 11353 1
93 . 1 1 13 13 GLN CG C 13 34.224 0.300 . 1 . . . . 13 GLN CG . 11353 1
94 . 1 1 13 13 GLN N N 15 117.753 0.300 . 1 . . . . 13 GLN N . 11353 1
95 . 1 1 13 13 GLN NE2 N 15 113.251 0.300 . 1 . . . . 13 GLN NE2 . 11353 1
96 . 1 1 14 14 VAL H H 1 8.024 0.030 . 1 . . . . 14 VAL H . 11353 1
97 . 1 1 14 14 VAL HA H 1 4.209 0.030 . 1 . . . . 14 VAL HA . 11353 1
98 . 1 1 14 14 VAL HB H 1 2.326 0.030 . 1 . . . . 14 VAL HB . 11353 1
99 . 1 1 14 14 VAL HG11 H 1 0.990 0.030 . 1 . . . . 14 VAL HG1 . 11353 1
100 . 1 1 14 14 VAL HG12 H 1 0.990 0.030 . 1 . . . . 14 VAL HG1 . 11353 1
101 . 1 1 14 14 VAL HG13 H 1 0.990 0.030 . 1 . . . . 14 VAL HG1 . 11353 1
102 . 1 1 14 14 VAL HG21 H 1 0.976 0.030 . 1 . . . . 14 VAL HG2 . 11353 1
103 . 1 1 14 14 VAL HG22 H 1 0.976 0.030 . 1 . . . . 14 VAL HG2 . 11353 1
104 . 1 1 14 14 VAL HG23 H 1 0.976 0.030 . 1 . . . . 14 VAL HG2 . 11353 1
105 . 1 1 14 14 VAL C C 13 175.982 0.300 . 1 . . . . 14 VAL C . 11353 1
106 . 1 1 14 14 VAL CA C 13 61.925 0.300 . 1 . . . . 14 VAL CA . 11353 1
107 . 1 1 14 14 VAL CB C 13 32.633 0.300 . 1 . . . . 14 VAL CB . 11353 1
108 . 1 1 14 14 VAL CG1 C 13 21.238 0.300 . 2 . . . . 14 VAL CG1 . 11353 1
109 . 1 1 14 14 VAL CG2 C 13 18.979 0.300 . 2 . . . . 14 VAL CG2 . 11353 1
110 . 1 1 14 14 VAL N N 15 115.108 0.300 . 1 . . . . 14 VAL N . 11353 1
111 . 1 1 15 15 SER H H 1 8.239 0.030 . 1 . . . . 15 SER H . 11353 1
112 . 1 1 15 15 SER HA H 1 4.039 0.030 . 1 . . . . 15 SER HA . 11353 1
113 . 1 1 15 15 SER HB2 H 1 3.474 0.030 . 1 . . . . 15 SER HB2 . 11353 1
114 . 1 1 15 15 SER HB3 H 1 3.474 0.030 . 1 . . . . 15 SER HB3 . 11353 1
115 . 1 1 15 15 SER C C 13 173.726 0.300 . 1 . . . . 15 SER C . 11353 1
116 . 1 1 15 15 SER CA C 13 58.894 0.300 . 1 . . . . 15 SER CA . 11353 1
117 . 1 1 15 15 SER CB C 13 63.355 0.300 . 1 . . . . 15 SER CB . 11353 1
118 . 1 1 15 15 SER N N 15 116.624 0.300 . 1 . . . . 15 SER N . 11353 1
119 . 1 1 16 16 TYR H H 1 7.583 0.030 . 1 . . . . 16 TYR H . 11353 1
120 . 1 1 16 16 TYR HA H 1 4.608 0.030 . 1 . . . . 16 TYR HA . 11353 1
121 . 1 1 16 16 TYR HB2 H 1 3.101 0.030 . 2 . . . . 16 TYR HB2 . 11353 1
122 . 1 1 16 16 TYR HB3 H 1 2.882 0.030 . 2 . . . . 16 TYR HB3 . 11353 1
123 . 1 1 16 16 TYR HD1 H 1 6.937 0.030 . 1 . . . . 16 TYR HD1 . 11353 1
124 . 1 1 16 16 TYR HD2 H 1 6.937 0.030 . 1 . . . . 16 TYR HD2 . 11353 1
125 . 1 1 16 16 TYR HE1 H 1 6.501 0.030 . 1 . . . . 16 TYR HE1 . 11353 1
126 . 1 1 16 16 TYR HE2 H 1 6.501 0.030 . 1 . . . . 16 TYR HE2 . 11353 1
127 . 1 1 16 16 TYR C C 13 174.724 0.300 . 1 . . . . 16 TYR C . 11353 1
128 . 1 1 16 16 TYR CA C 13 57.772 0.300 . 1 . . . . 16 TYR CA . 11353 1
129 . 1 1 16 16 TYR CB C 13 39.132 0.300 . 1 . . . . 16 TYR CB . 11353 1
130 . 1 1 16 16 TYR CD1 C 13 133.690 0.300 . 1 . . . . 16 TYR CD1 . 11353 1
131 . 1 1 16 16 TYR CD2 C 13 133.690 0.300 . 1 . . . . 16 TYR CD2 . 11353 1
132 . 1 1 16 16 TYR CE1 C 13 117.453 0.300 . 1 . . . . 16 TYR CE1 . 11353 1
133 . 1 1 16 16 TYR CE2 C 13 117.453 0.300 . 1 . . . . 16 TYR CE2 . 11353 1
134 . 1 1 16 16 TYR N N 15 120.403 0.300 . 1 . . . . 16 TYR N . 11353 1
135 . 1 1 17 17 GLY H H 1 8.509 0.030 . 1 . . . . 17 GLY H . 11353 1
136 . 1 1 17 17 GLY HA2 H 1 3.889 0.030 . 2 . . . . 17 GLY HA2 . 11353 1
137 . 1 1 17 17 GLY HA3 H 1 3.769 0.030 . 2 . . . . 17 GLY HA3 . 11353 1
138 . 1 1 17 17 GLY C C 13 173.226 0.300 . 1 . . . . 17 GLY C . 11353 1
139 . 1 1 17 17 GLY CA C 13 45.515 0.300 . 1 . . . . 17 GLY CA . 11353 1
140 . 1 1 17 17 GLY N N 15 109.240 0.300 . 1 . . . . 17 GLY N . 11353 1
141 . 1 1 18 18 GLU H H 1 8.241 0.030 . 1 . . . . 18 GLU H . 11353 1
142 . 1 1 18 18 GLU HA H 1 3.994 0.030 . 1 . . . . 18 GLU HA . 11353 1
143 . 1 1 18 18 GLU HB2 H 1 0.977 0.030 . 2 . . . . 18 GLU HB2 . 11353 1
144 . 1 1 18 18 GLU HB3 H 1 0.631 0.030 . 2 . . . . 18 GLU HB3 . 11353 1
145 . 1 1 18 18 GLU HG2 H 1 1.959 0.030 . 2 . . . . 18 GLU HG2 . 11353 1
146 . 1 1 18 18 GLU HG3 H 1 1.900 0.030 . 2 . . . . 18 GLU HG3 . 11353 1
147 . 1 1 18 18 GLU C C 13 176.061 0.300 . 1 . . . . 18 GLU C . 11353 1
148 . 1 1 18 18 GLU CA C 13 56.642 0.300 . 1 . . . . 18 GLU CA . 11353 1
149 . 1 1 18 18 GLU CB C 13 28.331 0.300 . 1 . . . . 18 GLU CB . 11353 1
150 . 1 1 18 18 GLU CG C 13 36.243 0.300 . 1 . . . . 18 GLU CG . 11353 1
151 . 1 1 18 18 GLU N N 15 121.706 0.300 . 1 . . . . 18 GLU N . 11353 1
152 . 1 1 19 19 MET H H 1 8.306 0.030 . 1 . . . . 19 MET H . 11353 1
153 . 1 1 19 19 MET HA H 1 5.454 0.030 . 1 . . . . 19 MET HA . 11353 1
154 . 1 1 19 19 MET HB2 H 1 1.852 0.030 . 2 . . . . 19 MET HB2 . 11353 1
155 . 1 1 19 19 MET HB3 H 1 1.681 0.030 . 2 . . . . 19 MET HB3 . 11353 1
156 . 1 1 19 19 MET HE1 H 1 1.173 0.030 . 1 . . . . 19 MET HE . 11353 1
157 . 1 1 19 19 MET HE2 H 1 1.173 0.030 . 1 . . . . 19 MET HE . 11353 1
158 . 1 1 19 19 MET HE3 H 1 1.173 0.030 . 1 . . . . 19 MET HE . 11353 1
159 . 1 1 19 19 MET HG2 H 1 2.298 0.030 . 2 . . . . 19 MET HG2 . 11353 1
160 . 1 1 19 19 MET HG3 H 1 2.061 0.030 . 2 . . . . 19 MET HG3 . 11353 1
161 . 1 1 19 19 MET C C 13 174.951 0.300 . 1 . . . . 19 MET C . 11353 1
162 . 1 1 19 19 MET CA C 13 53.406 0.300 . 1 . . . . 19 MET CA . 11353 1
163 . 1 1 19 19 MET CB C 13 35.338 0.300 . 1 . . . . 19 MET CB . 11353 1
164 . 1 1 19 19 MET CE C 13 15.422 0.300 . 1 . . . . 19 MET CE . 11353 1
165 . 1 1 19 19 MET CG C 13 31.921 0.300 . 1 . . . . 19 MET CG . 11353 1
166 . 1 1 19 19 MET N N 15 122.472 0.300 . 1 . . . . 19 MET N . 11353 1
167 . 1 1 20 20 VAL H H 1 9.704 0.030 . 1 . . . . 20 VAL H . 11353 1
168 . 1 1 20 20 VAL HA H 1 4.750 0.030 . 1 . . . . 20 VAL HA . 11353 1
169 . 1 1 20 20 VAL HB H 1 1.538 0.030 . 1 . . . . 20 VAL HB . 11353 1
170 . 1 1 20 20 VAL HG11 H 1 0.304 0.030 . 1 . . . . 20 VAL HG1 . 11353 1
171 . 1 1 20 20 VAL HG12 H 1 0.304 0.030 . 1 . . . . 20 VAL HG1 . 11353 1
172 . 1 1 20 20 VAL HG13 H 1 0.304 0.030 . 1 . . . . 20 VAL HG1 . 11353 1
173 . 1 1 20 20 VAL HG21 H 1 -0.059 0.030 . 1 . . . . 20 VAL HG2 . 11353 1
174 . 1 1 20 20 VAL HG22 H 1 -0.059 0.030 . 1 . . . . 20 VAL HG2 . 11353 1
175 . 1 1 20 20 VAL HG23 H 1 -0.059 0.030 . 1 . . . . 20 VAL HG2 . 11353 1
176 . 1 1 20 20 VAL C C 13 172.089 0.300 . 1 . . . . 20 VAL C . 11353 1
177 . 1 1 20 20 VAL CA C 13 59.079 0.300 . 1 . . . . 20 VAL CA . 11353 1
178 . 1 1 20 20 VAL CB C 13 34.880 0.300 . 1 . . . . 20 VAL CB . 11353 1
179 . 1 1 20 20 VAL CG1 C 13 21.167 0.300 . 2 . . . . 20 VAL CG1 . 11353 1
180 . 1 1 20 20 VAL CG2 C 13 18.070 0.300 . 2 . . . . 20 VAL CG2 . 11353 1
181 . 1 1 20 20 VAL N N 15 122.930 0.300 . 1 . . . . 20 VAL N . 11353 1
182 . 1 1 21 21 GLY H H 1 8.403 0.030 . 1 . . . . 21 GLY H . 11353 1
183 . 1 1 21 21 GLY HA2 H 1 4.687 0.030 . 2 . . . . 21 GLY HA2 . 11353 1
184 . 1 1 21 21 GLY HA3 H 1 2.472 0.030 . 2 . . . . 21 GLY HA3 . 11353 1
185 . 1 1 21 21 GLY C C 13 172.907 0.300 . 1 . . . . 21 GLY C . 11353 1
186 . 1 1 21 21 GLY CA C 13 43.456 0.300 . 1 . . . . 21 GLY CA . 11353 1
187 . 1 1 21 21 GLY N N 15 116.525 0.300 . 1 . . . . 21 GLY N . 11353 1
188 . 1 1 22 22 CYS H H 1 8.549 0.030 . 1 . . . . 22 CYS H . 11353 1
189 . 1 1 22 22 CYS HA H 1 4.609 0.030 . 1 . . . . 22 CYS HA . 11353 1
190 . 1 1 22 22 CYS HB2 H 1 3.163 0.030 . 1 . . . . 22 CYS HB2 . 11353 1
191 . 1 1 22 22 CYS HB3 H 1 3.163 0.030 . 1 . . . . 22 CYS HB3 . 11353 1
192 . 1 1 22 22 CYS C C 13 176.974 0.300 . 1 . . . . 22 CYS C . 11353 1
193 . 1 1 22 22 CYS CA C 13 60.401 0.300 . 1 . . . . 22 CYS CA . 11353 1
194 . 1 1 22 22 CYS CB C 13 32.340 0.300 . 1 . . . . 22 CYS CB . 11353 1
195 . 1 1 22 22 CYS N N 15 126.689 0.300 . 1 . . . . 22 CYS N . 11353 1
196 . 1 1 23 23 ASP H H 1 9.134 0.030 . 1 . . . . 23 ASP H . 11353 1
197 . 1 1 23 23 ASP HA H 1 4.659 0.030 . 1 . . . . 23 ASP HA . 11353 1
198 . 1 1 23 23 ASP HB2 H 1 2.472 0.030 . 2 . . . . 23 ASP HB2 . 11353 1
199 . 1 1 23 23 ASP HB3 H 1 1.852 0.030 . 2 . . . . 23 ASP HB3 . 11353 1
200 . 1 1 23 23 ASP C C 13 176.548 0.300 . 1 . . . . 23 ASP C . 11353 1
201 . 1 1 23 23 ASP CA C 13 56.890 0.300 . 1 . . . . 23 ASP CA . 11353 1
202 . 1 1 23 23 ASP CB C 13 41.025 0.300 . 1 . . . . 23 ASP CB . 11353 1
203 . 1 1 23 23 ASP N N 15 127.423 0.300 . 1 . . . . 23 ASP N . 11353 1
204 . 1 1 24 24 ASN H H 1 8.838 0.030 . 1 . . . . 24 ASN H . 11353 1
205 . 1 1 24 24 ASN HA H 1 4.987 0.030 . 1 . . . . 24 ASN HA . 11353 1
206 . 1 1 24 24 ASN HB2 H 1 3.989 0.030 . 2 . . . . 24 ASN HB2 . 11353 1
207 . 1 1 24 24 ASN HB3 H 1 2.787 0.030 . 2 . . . . 24 ASN HB3 . 11353 1
208 . 1 1 24 24 ASN HD21 H 1 9.235 0.030 . 2 . . . . 24 ASN HD21 . 11353 1
209 . 1 1 24 24 ASN HD22 H 1 7.027 0.030 . 2 . . . . 24 ASN HD22 . 11353 1
210 . 1 1 24 24 ASN C C 13 176.507 0.300 . 1 . . . . 24 ASN C . 11353 1
211 . 1 1 24 24 ASN CA C 13 53.148 0.300 . 1 . . . . 24 ASN CA . 11353 1
212 . 1 1 24 24 ASN CB C 13 38.013 0.300 . 1 . . . . 24 ASN CB . 11353 1
213 . 1 1 24 24 ASN N N 15 121.359 0.300 . 1 . . . . 24 ASN N . 11353 1
214 . 1 1 24 24 ASN ND2 N 15 116.140 0.300 . 1 . . . . 24 ASN ND2 . 11353 1
215 . 1 1 25 25 GLN H H 1 9.207 0.030 . 1 . . . . 25 GLN H . 11353 1
216 . 1 1 25 25 GLN HA H 1 4.107 0.030 . 1 . . . . 25 GLN HA . 11353 1
217 . 1 1 25 25 GLN HB2 H 1 2.098 0.030 . 1 . . . . 25 GLN HB2 . 11353 1
218 . 1 1 25 25 GLN HB3 H 1 2.098 0.030 . 1 . . . . 25 GLN HB3 . 11353 1
219 . 1 1 25 25 GLN HE21 H 1 6.853 0.030 . 2 . . . . 25 GLN HE21 . 11353 1
220 . 1 1 25 25 GLN HE22 H 1 7.598 0.030 . 2 . . . . 25 GLN HE22 . 11353 1
221 . 1 1 25 25 GLN HG2 H 1 2.426 0.030 . 1 . . . . 25 GLN HG2 . 11353 1
222 . 1 1 25 25 GLN HG3 H 1 2.426 0.030 . 1 . . . . 25 GLN HG3 . 11353 1
223 . 1 1 25 25 GLN C C 13 175.982 0.300 . 1 . . . . 25 GLN C . 11353 1
224 . 1 1 25 25 GLN CA C 13 58.380 0.300 . 1 . . . . 25 GLN CA . 11353 1
225 . 1 1 25 25 GLN CB C 13 28.245 0.300 . 1 . . . . 25 GLN CB . 11353 1
226 . 1 1 25 25 GLN CG C 13 33.792 0.300 . 1 . . . . 25 GLN CG . 11353 1
227 . 1 1 25 25 GLN N N 15 129.682 0.300 . 1 . . . . 25 GLN N . 11353 1
228 . 1 1 25 25 GLN NE2 N 15 112.762 0.300 . 1 . . . . 25 GLN NE2 . 11353 1
229 . 1 1 26 26 ASP H H 1 7.501 0.030 . 1 . . . . 26 ASP H . 11353 1
230 . 1 1 26 26 ASP HA H 1 4.778 0.030 . 1 . . . . 26 ASP HA . 11353 1
231 . 1 1 26 26 ASP HB2 H 1 2.873 0.030 . 2 . . . . 26 ASP HB2 . 11353 1
232 . 1 1 26 26 ASP HB3 H 1 2.428 0.030 . 2 . . . . 26 ASP HB3 . 11353 1
233 . 1 1 26 26 ASP C C 13 174.884 0.300 . 1 . . . . 26 ASP C . 11353 1
234 . 1 1 26 26 ASP CA C 13 53.507 0.300 . 1 . . . . 26 ASP CA . 11353 1
235 . 1 1 26 26 ASP CB C 13 41.014 0.300 . 1 . . . . 26 ASP CB . 11353 1
236 . 1 1 26 26 ASP N N 15 116.373 0.300 . 1 . . . . 26 ASP N . 11353 1
237 . 1 1 27 27 CYS H H 1 7.618 0.030 . 1 . . . . 27 CYS H . 11353 1
238 . 1 1 27 27 CYS HA H 1 4.070 0.030 . 1 . . . . 27 CYS HA . 11353 1
239 . 1 1 27 27 CYS HB2 H 1 3.505 0.030 . 2 . . . . 27 CYS HB2 . 11353 1
240 . 1 1 27 27 CYS HB3 H 1 2.844 0.030 . 2 . . . . 27 CYS HB3 . 11353 1
241 . 1 1 27 27 CYS C C 13 176.271 0.300 . 1 . . . . 27 CYS C . 11353 1
242 . 1 1 27 27 CYS CA C 13 59.391 0.300 . 1 . . . . 27 CYS CA . 11353 1
243 . 1 1 27 27 CYS CB C 13 31.175 0.300 . 1 . . . . 27 CYS CB . 11353 1
244 . 1 1 27 27 CYS N N 15 126.200 0.300 . 1 . . . . 27 CYS N . 11353 1
245 . 1 1 28 28 PRO HA H 1 4.523 0.030 . 1 . . . . 28 PRO HA . 11353 1
246 . 1 1 28 28 PRO HB2 H 1 2.328 0.030 . 2 . . . . 28 PRO HB2 . 11353 1
247 . 1 1 28 28 PRO HB3 H 1 2.040 0.030 . 2 . . . . 28 PRO HB3 . 11353 1
248 . 1 1 28 28 PRO HD2 H 1 4.344 0.030 . 2 . . . . 28 PRO HD2 . 11353 1
249 . 1 1 28 28 PRO HD3 H 1 3.733 0.030 . 2 . . . . 28 PRO HD3 . 11353 1
250 . 1 1 28 28 PRO HG2 H 1 2.061 0.030 . 2 . . . . 28 PRO HG2 . 11353 1
251 . 1 1 28 28 PRO HG3 H 1 1.970 0.030 . 2 . . . . 28 PRO HG3 . 11353 1
252 . 1 1 28 28 PRO C C 13 176.624 0.300 . 1 . . . . 28 PRO C . 11353 1
253 . 1 1 28 28 PRO CA C 13 64.077 0.300 . 1 . . . . 28 PRO CA . 11353 1
254 . 1 1 28 28 PRO CB C 13 32.475 0.300 . 1 . . . . 28 PRO CB . 11353 1
255 . 1 1 28 28 PRO CD C 13 51.729 0.300 . 1 . . . . 28 PRO CD . 11353 1
256 . 1 1 28 28 PRO CG C 13 26.955 0.300 . 1 . . . . 28 PRO CG . 11353 1
257 . 1 1 29 29 ILE H H 1 8.381 0.030 . 1 . . . . 29 ILE H . 11353 1
258 . 1 1 29 29 ILE HA H 1 4.122 0.030 . 1 . . . . 29 ILE HA . 11353 1
259 . 1 1 29 29 ILE HB H 1 1.743 0.030 . 1 . . . . 29 ILE HB . 11353 1
260 . 1 1 29 29 ILE HD11 H 1 0.910 0.030 . 1 . . . . 29 ILE HD1 . 11353 1
261 . 1 1 29 29 ILE HD12 H 1 0.910 0.030 . 1 . . . . 29 ILE HD1 . 11353 1
262 . 1 1 29 29 ILE HD13 H 1 0.910 0.030 . 1 . . . . 29 ILE HD1 . 11353 1
263 . 1 1 29 29 ILE HG12 H 1 1.469 0.030 . 2 . . . . 29 ILE HG12 . 11353 1
264 . 1 1 29 29 ILE HG13 H 1 1.107 0.030 . 2 . . . . 29 ILE HG13 . 11353 1
265 . 1 1 29 29 ILE HG21 H 1 0.284 0.030 . 1 . . . . 29 ILE HG2 . 11353 1
266 . 1 1 29 29 ILE HG22 H 1 0.284 0.030 . 1 . . . . 29 ILE HG2 . 11353 1
267 . 1 1 29 29 ILE HG23 H 1 0.284 0.030 . 1 . . . . 29 ILE HG2 . 11353 1
268 . 1 1 29 29 ILE C C 13 177.512 0.300 . 1 . . . . 29 ILE C . 11353 1
269 . 1 1 29 29 ILE CA C 13 62.883 0.300 . 1 . . . . 29 ILE CA . 11353 1
270 . 1 1 29 29 ILE CB C 13 40.366 0.300 . 1 . . . . 29 ILE CB . 11353 1
271 . 1 1 29 29 ILE CD1 C 13 12.698 0.300 . 1 . . . . 29 ILE CD1 . 11353 1
272 . 1 1 29 29 ILE CG1 C 13 28.439 0.300 . 1 . . . . 29 ILE CG1 . 11353 1
273 . 1 1 29 29 ILE CG2 C 13 18.373 0.300 . 1 . . . . 29 ILE CG2 . 11353 1
274 . 1 1 29 29 ILE N N 15 123.330 0.300 . 1 . . . . 29 ILE N . 11353 1
275 . 1 1 30 30 GLU H H 1 9.494 0.030 . 1 . . . . 30 GLU H . 11353 1
276 . 1 1 30 30 GLU HA H 1 3.739 0.030 . 1 . . . . 30 GLU HA . 11353 1
277 . 1 1 30 30 GLU HB2 H 1 2.349 0.030 . 2 . . . . 30 GLU HB2 . 11353 1
278 . 1 1 30 30 GLU HB3 H 1 1.980 0.030 . 2 . . . . 30 GLU HB3 . 11353 1
279 . 1 1 30 30 GLU HG2 H 1 1.909 0.030 . 2 . . . . 30 GLU HG2 . 11353 1
280 . 1 1 30 30 GLU HG3 H 1 1.657 0.030 . 2 . . . . 30 GLU HG3 . 11353 1
281 . 1 1 30 30 GLU C C 13 175.942 0.300 . 1 . . . . 30 GLU C . 11353 1
282 . 1 1 30 30 GLU CA C 13 62.998 0.300 . 1 . . . . 30 GLU CA . 11353 1
283 . 1 1 30 30 GLU CB C 13 29.916 0.300 . 1 . . . . 30 GLU CB . 11353 1
284 . 1 1 30 30 GLU CG C 13 36.688 0.300 . 1 . . . . 30 GLU CG . 11353 1
285 . 1 1 30 30 GLU N N 15 119.996 0.300 . 1 . . . . 30 GLU N . 11353 1
286 . 1 1 31 31 TRP H H 1 7.843 0.030 . 1 . . . . 31 TRP H . 11353 1
287 . 1 1 31 31 TRP HA H 1 5.429 0.030 . 1 . . . . 31 TRP HA . 11353 1
288 . 1 1 31 31 TRP HB2 H 1 2.791 0.030 . 2 . . . . 31 TRP HB2 . 11353 1
289 . 1 1 31 31 TRP HB3 H 1 2.508 0.030 . 2 . . . . 31 TRP HB3 . 11353 1
290 . 1 1 31 31 TRP HD1 H 1 6.984 0.030 . 1 . . . . 31 TRP HD1 . 11353 1
291 . 1 1 31 31 TRP HE1 H 1 9.896 0.030 . 1 . . . . 31 TRP HE1 . 11353 1
292 . 1 1 31 31 TRP HE3 H 1 7.094 0.030 . 1 . . . . 31 TRP HE3 . 11353 1
293 . 1 1 31 31 TRP HH2 H 1 7.143 0.030 . 1 . . . . 31 TRP HH2 . 11353 1
294 . 1 1 31 31 TRP HZ2 H 1 7.400 0.030 . 1 . . . . 31 TRP HZ2 . 11353 1
295 . 1 1 31 31 TRP HZ3 H 1 6.880 0.030 . 1 . . . . 31 TRP HZ3 . 11353 1
296 . 1 1 31 31 TRP C C 13 174.877 0.300 . 1 . . . . 31 TRP C . 11353 1
297 . 1 1 31 31 TRP CA C 13 55.978 0.300 . 1 . . . . 31 TRP CA . 11353 1
298 . 1 1 31 31 TRP CB C 13 32.934 0.300 . 1 . . . . 31 TRP CB . 11353 1
299 . 1 1 31 31 TRP CD1 C 13 127.400 0.300 . 1 . . . . 31 TRP CD1 . 11353 1
300 . 1 1 31 31 TRP CE3 C 13 119.851 0.300 . 1 . . . . 31 TRP CE3 . 11353 1
301 . 1 1 31 31 TRP CH2 C 13 124.584 0.300 . 1 . . . . 31 TRP CH2 . 11353 1
302 . 1 1 31 31 TRP CZ2 C 13 114.636 0.300 . 1 . . . . 31 TRP CZ2 . 11353 1
303 . 1 1 31 31 TRP CZ3 C 13 121.889 0.300 . 1 . . . . 31 TRP CZ3 . 11353 1
304 . 1 1 31 31 TRP N N 15 120.187 0.300 . 1 . . . . 31 TRP N . 11353 1
305 . 1 1 31 31 TRP NE1 N 15 128.477 0.300 . 1 . . . . 31 TRP NE1 . 11353 1
306 . 1 1 32 32 PHE H H 1 9.234 0.030 . 1 . . . . 32 PHE H . 11353 1
307 . 1 1 32 32 PHE HA H 1 4.926 0.030 . 1 . . . . 32 PHE HA . 11353 1
308 . 1 1 32 32 PHE HB2 H 1 3.201 0.030 . 2 . . . . 32 PHE HB2 . 11353 1
309 . 1 1 32 32 PHE HB3 H 1 2.774 0.030 . 2 . . . . 32 PHE HB3 . 11353 1
310 . 1 1 32 32 PHE HD1 H 1 7.580 0.030 . 1 . . . . 32 PHE HD1 . 11353 1
311 . 1 1 32 32 PHE HD2 H 1 7.580 0.030 . 1 . . . . 32 PHE HD2 . 11353 1
312 . 1 1 32 32 PHE HE1 H 1 7.349 0.030 . 1 . . . . 32 PHE HE1 . 11353 1
313 . 1 1 32 32 PHE HE2 H 1 7.349 0.030 . 1 . . . . 32 PHE HE2 . 11353 1
314 . 1 1 32 32 PHE HZ H 1 7.870 0.030 . 1 . . . . 32 PHE HZ . 11353 1
315 . 1 1 32 32 PHE C C 13 176.195 0.300 . 1 . . . . 32 PHE C . 11353 1
316 . 1 1 32 32 PHE CA C 13 55.950 0.300 . 1 . . . . 32 PHE CA . 11353 1
317 . 1 1 32 32 PHE CB C 13 42.736 0.300 . 1 . . . . 32 PHE CB . 11353 1
318 . 1 1 32 32 PHE CD1 C 13 132.679 0.300 . 1 . . . . 32 PHE CD1 . 11353 1
319 . 1 1 32 32 PHE CD2 C 13 132.679 0.300 . 1 . . . . 32 PHE CD2 . 11353 1
320 . 1 1 32 32 PHE CE1 C 13 130.724 0.300 . 1 . . . . 32 PHE CE1 . 11353 1
321 . 1 1 32 32 PHE CE2 C 13 130.724 0.300 . 1 . . . . 32 PHE CE2 . 11353 1
322 . 1 1 32 32 PHE CZ C 13 131.567 0.300 . 1 . . . . 32 PHE CZ . 11353 1
323 . 1 1 32 32 PHE N N 15 117.651 0.300 . 1 . . . . 32 PHE N . 11353 1
324 . 1 1 33 33 HIS H H 1 9.554 0.030 . 1 . . . . 33 HIS H . 11353 1
325 . 1 1 33 33 HIS HA H 1 4.965 0.030 . 1 . . . . 33 HIS HA . 11353 1
326 . 1 1 33 33 HIS HB2 H 1 3.961 0.030 . 2 . . . . 33 HIS HB2 . 11353 1
327 . 1 1 33 33 HIS HB3 H 1 3.566 0.030 . 2 . . . . 33 HIS HB3 . 11353 1
328 . 1 1 33 33 HIS HD2 H 1 6.861 0.030 . 1 . . . . 33 HIS HD2 . 11353 1
329 . 1 1 33 33 HIS HE1 H 1 7.538 0.030 . 1 . . . . 33 HIS HE1 . 11353 1
330 . 1 1 33 33 HIS C C 13 178.245 0.300 . 1 . . . . 33 HIS C . 11353 1
331 . 1 1 33 33 HIS CA C 13 58.141 0.300 . 1 . . . . 33 HIS CA . 11353 1
332 . 1 1 33 33 HIS CB C 13 30.956 0.300 . 1 . . . . 33 HIS CB . 11353 1
333 . 1 1 33 33 HIS CD2 C 13 118.603 0.300 . 1 . . . . 33 HIS CD2 . 11353 1
334 . 1 1 33 33 HIS CE1 C 13 137.980 0.300 . 1 . . . . 33 HIS CE1 . 11353 1
335 . 1 1 33 33 HIS N N 15 123.546 0.300 . 1 . . . . 33 HIS N . 11353 1
336 . 1 1 34 34 TYR H H 1 8.577 0.030 . 1 . . . . 34 TYR H . 11353 1
337 . 1 1 34 34 TYR HA H 1 3.932 0.030 . 1 . . . . 34 TYR HA . 11353 1
338 . 1 1 34 34 TYR HB2 H 1 3.219 0.030 . 2 . . . . 34 TYR HB2 . 11353 1
339 . 1 1 34 34 TYR HB3 H 1 2.943 0.030 . 2 . . . . 34 TYR HB3 . 11353 1
340 . 1 1 34 34 TYR HD1 H 1 6.528 0.030 . 1 . . . . 34 TYR HD1 . 11353 1
341 . 1 1 34 34 TYR HD2 H 1 6.528 0.030 . 1 . . . . 34 TYR HD2 . 11353 1
342 . 1 1 34 34 TYR HE1 H 1 6.333 0.030 . 1 . . . . 34 TYR HE1 . 11353 1
343 . 1 1 34 34 TYR HE2 H 1 6.333 0.030 . 1 . . . . 34 TYR HE2 . 11353 1
344 . 1 1 34 34 TYR C C 13 178.896 0.300 . 1 . . . . 34 TYR C . 11353 1
345 . 1 1 34 34 TYR CA C 13 60.621 0.300 . 1 . . . . 34 TYR CA . 11353 1
346 . 1 1 34 34 TYR CB C 13 36.764 0.300 . 1 . . . . 34 TYR CB . 11353 1
347 . 1 1 34 34 TYR CD1 C 13 130.329 0.300 . 1 . . . . 34 TYR CD1 . 11353 1
348 . 1 1 34 34 TYR CD2 C 13 130.329 0.300 . 1 . . . . 34 TYR CD2 . 11353 1
349 . 1 1 34 34 TYR CE1 C 13 117.731 0.300 . 1 . . . . 34 TYR CE1 . 11353 1
350 . 1 1 34 34 TYR CE2 C 13 117.731 0.300 . 1 . . . . 34 TYR CE2 . 11353 1
351 . 1 1 34 34 TYR N N 15 124.231 0.300 . 1 . . . . 34 TYR N . 11353 1
352 . 1 1 35 35 GLY H H 1 9.182 0.030 . 1 . . . . 35 GLY H . 11353 1
353 . 1 1 35 35 GLY HA2 H 1 4.090 0.030 . 2 . . . . 35 GLY HA2 . 11353 1
354 . 1 1 35 35 GLY HA3 H 1 3.967 0.030 . 2 . . . . 35 GLY HA3 . 11353 1
355 . 1 1 35 35 GLY C C 13 177.040 0.300 . 1 . . . . 35 GLY C . 11353 1
356 . 1 1 35 35 GLY CA C 13 46.715 0.300 . 1 . . . . 35 GLY CA . 11353 1
357 . 1 1 35 35 GLY N N 15 102.547 0.300 . 1 . . . . 35 GLY N . 11353 1
358 . 1 1 36 36 CYS H H 1 7.441 0.030 . 1 . . . . 36 CYS H . 11353 1
359 . 1 1 36 36 CYS HA H 1 4.360 0.030 . 1 . . . . 36 CYS HA . 11353 1
360 . 1 1 36 36 CYS HB2 H 1 3.300 0.030 . 2 . . . . 36 CYS HB2 . 11353 1
361 . 1 1 36 36 CYS HB3 H 1 3.260 0.030 . 2 . . . . 36 CYS HB3 . 11353 1
362 . 1 1 36 36 CYS C C 13 176.780 0.300 . 1 . . . . 36 CYS C . 11353 1
363 . 1 1 36 36 CYS CA C 13 62.228 0.300 . 1 . . . . 36 CYS CA . 11353 1
364 . 1 1 36 36 CYS CB C 13 30.536 0.300 . 1 . . . . 36 CYS CB . 11353 1
365 . 1 1 36 36 CYS N N 15 119.838 0.300 . 1 . . . . 36 CYS N . 11353 1
366 . 1 1 37 37 VAL H H 1 7.344 0.030 . 1 . . . . 37 VAL H . 11353 1
367 . 1 1 37 37 VAL HA H 1 4.741 0.030 . 1 . . . . 37 VAL HA . 11353 1
368 . 1 1 37 37 VAL HB H 1 2.800 0.030 . 1 . . . . 37 VAL HB . 11353 1
369 . 1 1 37 37 VAL HG11 H 1 1.002 0.030 . 1 . . . . 37 VAL HG1 . 11353 1
370 . 1 1 37 37 VAL HG12 H 1 1.002 0.030 . 1 . . . . 37 VAL HG1 . 11353 1
371 . 1 1 37 37 VAL HG13 H 1 1.002 0.030 . 1 . . . . 37 VAL HG1 . 11353 1
372 . 1 1 37 37 VAL HG21 H 1 0.851 0.030 . 1 . . . . 37 VAL HG2 . 11353 1
373 . 1 1 37 37 VAL HG22 H 1 0.851 0.030 . 1 . . . . 37 VAL HG2 . 11353 1
374 . 1 1 37 37 VAL HG23 H 1 0.851 0.030 . 1 . . . . 37 VAL HG2 . 11353 1
375 . 1 1 37 37 VAL C C 13 175.789 0.300 . 1 . . . . 37 VAL C . 11353 1
376 . 1 1 37 37 VAL CA C 13 60.095 0.300 . 1 . . . . 37 VAL CA . 11353 1
377 . 1 1 37 37 VAL CB C 13 32.055 0.300 . 1 . . . . 37 VAL CB . 11353 1
378 . 1 1 37 37 VAL CG1 C 13 22.341 0.300 . 2 . . . . 37 VAL CG1 . 11353 1
379 . 1 1 37 37 VAL CG2 C 13 18.002 0.300 . 2 . . . . 37 VAL CG2 . 11353 1
380 . 1 1 37 37 VAL N N 15 106.899 0.300 . 1 . . . . 37 VAL N . 11353 1
381 . 1 1 38 38 GLY H H 1 7.598 0.030 . 1 . . . . 38 GLY H . 11353 1
382 . 1 1 38 38 GLY HA2 H 1 4.048 0.030 . 2 . . . . 38 GLY HA2 . 11353 1
383 . 1 1 38 38 GLY HA3 H 1 3.880 0.030 . 2 . . . . 38 GLY HA3 . 11353 1
384 . 1 1 38 38 GLY C C 13 174.644 0.300 . 1 . . . . 38 GLY C . 11353 1
385 . 1 1 38 38 GLY CA C 13 46.844 0.300 . 1 . . . . 38 GLY CA . 11353 1
386 . 1 1 38 38 GLY N N 15 109.117 0.300 . 1 . . . . 38 GLY N . 11353 1
387 . 1 1 39 39 LEU H H 1 7.936 0.030 . 1 . . . . 39 LEU H . 11353 1
388 . 1 1 39 39 LEU HA H 1 4.572 0.030 . 1 . . . . 39 LEU HA . 11353 1
389 . 1 1 39 39 LEU HB2 H 1 0.986 0.030 . 2 . . . . 39 LEU HB2 . 11353 1
390 . 1 1 39 39 LEU HB3 H 1 0.791 0.030 . 2 . . . . 39 LEU HB3 . 11353 1
391 . 1 1 39 39 LEU HD11 H 1 -0.220 0.030 . 1 . . . . 39 LEU HD1 . 11353 1
392 . 1 1 39 39 LEU HD12 H 1 -0.220 0.030 . 1 . . . . 39 LEU HD1 . 11353 1
393 . 1 1 39 39 LEU HD13 H 1 -0.220 0.030 . 1 . . . . 39 LEU HD1 . 11353 1
394 . 1 1 39 39 LEU HD21 H 1 0.624 0.030 . 1 . . . . 39 LEU HD2 . 11353 1
395 . 1 1 39 39 LEU HD22 H 1 0.624 0.030 . 1 . . . . 39 LEU HD2 . 11353 1
396 . 1 1 39 39 LEU HD23 H 1 0.624 0.030 . 1 . . . . 39 LEU HD2 . 11353 1
397 . 1 1 39 39 LEU HG H 1 1.281 0.030 . 1 . . . . 39 LEU HG . 11353 1
398 . 1 1 39 39 LEU C C 13 177.406 0.300 . 1 . . . . 39 LEU C . 11353 1
399 . 1 1 39 39 LEU CA C 13 53.963 0.300 . 1 . . . . 39 LEU CA . 11353 1
400 . 1 1 39 39 LEU CB C 13 43.638 0.300 . 1 . . . . 39 LEU CB . 11353 1
401 . 1 1 39 39 LEU CD1 C 13 25.421 0.300 . 2 . . . . 39 LEU CD1 . 11353 1
402 . 1 1 39 39 LEU CD2 C 13 22.601 0.300 . 2 . . . . 39 LEU CD2 . 11353 1
403 . 1 1 39 39 LEU CG C 13 26.465 0.300 . 1 . . . . 39 LEU CG . 11353 1
404 . 1 1 39 39 LEU N N 15 119.737 0.300 . 1 . . . . 39 LEU N . 11353 1
405 . 1 1 40 40 THR H H 1 8.820 0.030 . 1 . . . . 40 THR H . 11353 1
406 . 1 1 40 40 THR HA H 1 4.390 0.030 . 1 . . . . 40 THR HA . 11353 1
407 . 1 1 40 40 THR HB H 1 4.379 0.030 . 1 . . . . 40 THR HB . 11353 1
408 . 1 1 40 40 THR HG21 H 1 1.143 0.030 . 1 . . . . 40 THR HG2 . 11353 1
409 . 1 1 40 40 THR HG22 H 1 1.143 0.030 . 1 . . . . 40 THR HG2 . 11353 1
410 . 1 1 40 40 THR HG23 H 1 1.143 0.030 . 1 . . . . 40 THR HG2 . 11353 1
411 . 1 1 40 40 THR C C 13 173.666 0.300 . 1 . . . . 40 THR C . 11353 1
412 . 1 1 40 40 THR CA C 13 61.639 0.300 . 1 . . . . 40 THR CA . 11353 1
413 . 1 1 40 40 THR CB C 13 69.596 0.300 . 1 . . . . 40 THR CB . 11353 1
414 . 1 1 40 40 THR CG2 C 13 21.851 0.300 . 1 . . . . 40 THR CG2 . 11353 1
415 . 1 1 40 40 THR N N 15 110.687 0.300 . 1 . . . . 40 THR N . 11353 1
416 . 1 1 41 41 GLU H H 1 7.485 0.030 . 1 . . . . 41 GLU H . 11353 1
417 . 1 1 41 41 GLU HA H 1 4.550 0.030 . 1 . . . . 41 GLU HA . 11353 1
418 . 1 1 41 41 GLU HB2 H 1 2.148 0.030 . 2 . . . . 41 GLU HB2 . 11353 1
419 . 1 1 41 41 GLU HB3 H 1 1.910 0.030 . 2 . . . . 41 GLU HB3 . 11353 1
420 . 1 1 41 41 GLU HG2 H 1 2.122 0.030 . 2 . . . . 41 GLU HG2 . 11353 1
421 . 1 1 41 41 GLU HG3 H 1 2.019 0.030 . 2 . . . . 41 GLU HG3 . 11353 1
422 . 1 1 41 41 GLU C C 13 173.660 0.300 . 1 . . . . 41 GLU C . 11353 1
423 . 1 1 41 41 GLU CA C 13 54.263 0.300 . 1 . . . . 41 GLU CA . 11353 1
424 . 1 1 41 41 GLU CB C 13 32.290 0.300 . 1 . . . . 41 GLU CB . 11353 1
425 . 1 1 41 41 GLU CG C 13 34.952 0.300 . 1 . . . . 41 GLU CG . 11353 1
426 . 1 1 41 41 GLU N N 15 118.762 0.300 . 1 . . . . 41 GLU N . 11353 1
427 . 1 1 42 42 ALA H H 1 8.543 0.030 . 1 . . . . 42 ALA H . 11353 1
428 . 1 1 42 42 ALA HA H 1 4.167 0.030 . 1 . . . . 42 ALA HA . 11353 1
429 . 1 1 42 42 ALA HB1 H 1 1.345 0.030 . 1 . . . . 42 ALA HB . 11353 1
430 . 1 1 42 42 ALA HB2 H 1 1.345 0.030 . 1 . . . . 42 ALA HB . 11353 1
431 . 1 1 42 42 ALA HB3 H 1 1.345 0.030 . 1 . . . . 42 ALA HB . 11353 1
432 . 1 1 42 42 ALA C C 13 176.058 0.300 . 1 . . . . 42 ALA C . 11353 1
433 . 1 1 42 42 ALA CA C 13 50.959 0.300 . 1 . . . . 42 ALA CA . 11353 1
434 . 1 1 42 42 ALA CB C 13 17.362 0.300 . 1 . . . . 42 ALA CB . 11353 1
435 . 1 1 42 42 ALA N N 15 124.263 0.300 . 1 . . . . 42 ALA N . 11353 1
436 . 1 1 43 43 PRO HA H 1 4.331 0.030 . 1 . . . . 43 PRO HA . 11353 1
437 . 1 1 43 43 PRO HB2 H 1 2.217 0.030 . 2 . . . . 43 PRO HB2 . 11353 1
438 . 1 1 43 43 PRO HB3 H 1 1.962 0.030 . 2 . . . . 43 PRO HB3 . 11353 1
439 . 1 1 43 43 PRO HD2 H 1 3.483 0.030 . 2 . . . . 43 PRO HD2 . 11353 1
440 . 1 1 43 43 PRO HD3 H 1 3.305 0.030 . 2 . . . . 43 PRO HD3 . 11353 1
441 . 1 1 43 43 PRO HG2 H 1 1.780 0.030 . 2 . . . . 43 PRO HG2 . 11353 1
442 . 1 1 43 43 PRO HG3 H 1 1.496 0.030 . 2 . . . . 43 PRO HG3 . 11353 1
443 . 1 1 43 43 PRO C C 13 176.823 0.300 . 1 . . . . 43 PRO C . 11353 1
444 . 1 1 43 43 PRO CA C 13 62.757 0.300 . 1 . . . . 43 PRO CA . 11353 1
445 . 1 1 43 43 PRO CB C 13 32.130 0.300 . 1 . . . . 43 PRO CB . 11353 1
446 . 1 1 43 43 PRO CD C 13 50.126 0.300 . 1 . . . . 43 PRO CD . 11353 1
447 . 1 1 43 43 PRO CG C 13 27.460 0.300 . 1 . . . . 43 PRO CG . 11353 1
448 . 1 1 44 44 LYS H H 1 8.609 0.030 . 1 . . . . 44 LYS H . 11353 1
449 . 1 1 44 44 LYS HA H 1 4.356 0.030 . 1 . . . . 44 LYS HA . 11353 1
450 . 1 1 44 44 LYS HB2 H 1 1.861 0.030 . 2 . . . . 44 LYS HB2 . 11353 1
451 . 1 1 44 44 LYS HB3 H 1 1.716 0.030 . 2 . . . . 44 LYS HB3 . 11353 1
452 . 1 1 44 44 LYS HD2 H 1 1.664 0.030 . 1 . . . . 44 LYS HD2 . 11353 1
453 . 1 1 44 44 LYS HD3 H 1 1.664 0.030 . 1 . . . . 44 LYS HD3 . 11353 1
454 . 1 1 44 44 LYS HE2 H 1 2.999 0.030 . 1 . . . . 44 LYS HE2 . 11353 1
455 . 1 1 44 44 LYS HE3 H 1 2.999 0.030 . 1 . . . . 44 LYS HE3 . 11353 1
456 . 1 1 44 44 LYS HG2 H 1 1.503 0.030 . 2 . . . . 44 LYS HG2 . 11353 1
457 . 1 1 44 44 LYS HG3 H 1 1.426 0.030 . 2 . . . . 44 LYS HG3 . 11353 1
458 . 1 1 44 44 LYS C C 13 176.853 0.300 . 1 . . . . 44 LYS C . 11353 1
459 . 1 1 44 44 LYS CA C 13 56.004 0.300 . 1 . . . . 44 LYS CA . 11353 1
460 . 1 1 44 44 LYS CB C 13 32.591 0.300 . 1 . . . . 44 LYS CB . 11353 1
461 . 1 1 44 44 LYS CD C 13 28.873 0.300 . 1 . . . . 44 LYS CD . 11353 1
462 . 1 1 44 44 LYS CE C 13 42.301 0.300 . 1 . . . . 44 LYS CE . 11353 1
463 . 1 1 44 44 LYS CG C 13 25.037 0.300 . 1 . . . . 44 LYS CG . 11353 1
464 . 1 1 44 44 LYS N N 15 122.128 0.300 . 1 . . . . 44 LYS N . 11353 1
465 . 1 1 45 45 GLY H H 1 7.974 0.030 . 1 . . . . 45 GLY H . 11353 1
466 . 1 1 45 45 GLY HA2 H 1 4.039 0.030 . 2 . . . . 45 GLY HA2 . 11353 1
467 . 1 1 45 45 GLY HA3 H 1 3.890 0.030 . 2 . . . . 45 GLY HA3 . 11353 1
468 . 1 1 45 45 GLY C C 13 173.147 0.300 . 1 . . . . 45 GLY C . 11353 1
469 . 1 1 45 45 GLY CA C 13 44.400 0.300 . 1 . . . . 45 GLY CA . 11353 1
470 . 1 1 45 45 GLY N N 15 110.637 0.300 . 1 . . . . 45 GLY N . 11353 1
471 . 1 1 46 46 LYS H H 1 8.205 0.030 . 1 . . . . 46 LYS H . 11353 1
472 . 1 1 46 46 LYS HA H 1 4.279 0.030 . 1 . . . . 46 LYS HA . 11353 1
473 . 1 1 46 46 LYS HB2 H 1 1.706 0.030 . 2 . . . . 46 LYS HB2 . 11353 1
474 . 1 1 46 46 LYS HB3 H 1 1.370 0.030 . 2 . . . . 46 LYS HB3 . 11353 1
475 . 1 1 46 46 LYS HD2 H 1 1.671 0.030 . 2 . . . . 46 LYS HD2 . 11353 1
476 . 1 1 46 46 LYS HD3 H 1 1.573 0.030 . 2 . . . . 46 LYS HD3 . 11353 1
477 . 1 1 46 46 LYS HE2 H 1 2.979 0.030 . 1 . . . . 46 LYS HE2 . 11353 1
478 . 1 1 46 46 LYS HE3 H 1 2.979 0.030 . 1 . . . . 46 LYS HE3 . 11353 1
479 . 1 1 46 46 LYS HG2 H 1 1.504 0.030 . 2 . . . . 46 LYS HG2 . 11353 1
480 . 1 1 46 46 LYS HG3 H 1 1.348 0.030 . 2 . . . . 46 LYS HG3 . 11353 1
481 . 1 1 46 46 LYS C C 13 176.368 0.300 . 1 . . . . 46 LYS C . 11353 1
482 . 1 1 46 46 LYS CA C 13 56.150 0.300 . 1 . . . . 46 LYS CA . 11353 1
483 . 1 1 46 46 LYS CB C 13 33.464 0.300 . 1 . . . . 46 LYS CB . 11353 1
484 . 1 1 46 46 LYS CD C 13 28.974 0.300 . 1 . . . . 46 LYS CD . 11353 1
485 . 1 1 46 46 LYS CE C 13 42.402 0.300 . 1 . . . . 46 LYS CE . 11353 1
486 . 1 1 46 46 LYS CG C 13 25.187 0.300 . 1 . . . . 46 LYS CG . 11353 1
487 . 1 1 46 46 LYS N N 15 120.968 0.300 . 1 . . . . 46 LYS N . 11353 1
488 . 1 1 47 47 TRP H H 1 9.515 0.030 . 1 . . . . 47 TRP H . 11353 1
489 . 1 1 47 47 TRP HA H 1 4.313 0.030 . 1 . . . . 47 TRP HA . 11353 1
490 . 1 1 47 47 TRP HB2 H 1 3.146 0.030 . 2 . . . . 47 TRP HB2 . 11353 1
491 . 1 1 47 47 TRP HB3 H 1 2.663 0.030 . 2 . . . . 47 TRP HB3 . 11353 1
492 . 1 1 47 47 TRP HD1 H 1 7.205 0.030 . 1 . . . . 47 TRP HD1 . 11353 1
493 . 1 1 47 47 TRP HE1 H 1 9.899 0.030 . 1 . . . . 47 TRP HE1 . 11353 1
494 . 1 1 47 47 TRP HE3 H 1 7.413 0.030 . 1 . . . . 47 TRP HE3 . 11353 1
495 . 1 1 47 47 TRP HH2 H 1 5.862 0.030 . 1 . . . . 47 TRP HH2 . 11353 1
496 . 1 1 47 47 TRP HZ2 H 1 6.952 0.030 . 1 . . . . 47 TRP HZ2 . 11353 1
497 . 1 1 47 47 TRP HZ3 H 1 6.364 0.030 . 1 . . . . 47 TRP HZ3 . 11353 1
498 . 1 1 47 47 TRP C C 13 171.963 0.300 . 1 . . . . 47 TRP C . 11353 1
499 . 1 1 47 47 TRP CA C 13 58.799 0.300 . 1 . . . . 47 TRP CA . 11353 1
500 . 1 1 47 47 TRP CB C 13 31.622 0.300 . 1 . . . . 47 TRP CB . 11353 1
501 . 1 1 47 47 TRP CD1 C 13 126.144 0.300 . 1 . . . . 47 TRP CD1 . 11353 1
502 . 1 1 47 47 TRP CE3 C 13 122.834 0.300 . 1 . . . . 47 TRP CE3 . 11353 1
503 . 1 1 47 47 TRP CH2 C 13 122.593 0.300 . 1 . . . . 47 TRP CH2 . 11353 1
504 . 1 1 47 47 TRP CZ2 C 13 112.879 0.300 . 1 . . . . 47 TRP CZ2 . 11353 1
505 . 1 1 47 47 TRP CZ3 C 13 120.265 0.300 . 1 . . . . 47 TRP CZ3 . 11353 1
506 . 1 1 47 47 TRP N N 15 127.074 0.300 . 1 . . . . 47 TRP N . 11353 1
507 . 1 1 47 47 TRP NE1 N 15 128.309 0.300 . 1 . . . . 47 TRP NE1 . 11353 1
508 . 1 1 48 48 TYR H H 1 7.000 0.030 . 1 . . . . 48 TYR H . 11353 1
509 . 1 1 48 48 TYR HA H 1 5.115 0.030 . 1 . . . . 48 TYR HA . 11353 1
510 . 1 1 48 48 TYR HB2 H 1 2.378 0.030 . 2 . . . . 48 TYR HB2 . 11353 1
511 . 1 1 48 48 TYR HB3 H 1 2.246 0.030 . 2 . . . . 48 TYR HB3 . 11353 1
512 . 1 1 48 48 TYR HD1 H 1 6.828 0.030 . 1 . . . . 48 TYR HD1 . 11353 1
513 . 1 1 48 48 TYR HD2 H 1 6.828 0.030 . 1 . . . . 48 TYR HD2 . 11353 1
514 . 1 1 48 48 TYR HE1 H 1 6.421 0.030 . 1 . . . . 48 TYR HE1 . 11353 1
515 . 1 1 48 48 TYR HE2 H 1 6.421 0.030 . 1 . . . . 48 TYR HE2 . 11353 1
516 . 1 1 48 48 TYR C C 13 173.799 0.300 . 1 . . . . 48 TYR C . 11353 1
517 . 1 1 48 48 TYR CA C 13 54.263 0.300 . 1 . . . . 48 TYR CA . 11353 1
518 . 1 1 48 48 TYR CB C 13 41.239 0.300 . 1 . . . . 48 TYR CB . 11353 1
519 . 1 1 48 48 TYR CD1 C 13 133.511 0.300 . 1 . . . . 48 TYR CD1 . 11353 1
520 . 1 1 48 48 TYR CD2 C 13 133.511 0.300 . 1 . . . . 48 TYR CD2 . 11353 1
521 . 1 1 48 48 TYR CE1 C 13 117.585 0.300 . 1 . . . . 48 TYR CE1 . 11353 1
522 . 1 1 48 48 TYR CE2 C 13 117.585 0.300 . 1 . . . . 48 TYR CE2 . 11353 1
523 . 1 1 48 48 TYR N N 15 123.468 0.300 . 1 . . . . 48 TYR N . 11353 1
524 . 1 1 49 49 CYS H H 1 8.789 0.030 . 1 . . . . 49 CYS H . 11353 1
525 . 1 1 49 49 CYS HA H 1 3.580 0.030 . 1 . . . . 49 CYS HA . 11353 1
526 . 1 1 49 49 CYS HB2 H 1 2.289 0.030 . 2 . . . . 49 CYS HB2 . 11353 1
527 . 1 1 49 49 CYS HB3 H 1 1.960 0.030 . 2 . . . . 49 CYS HB3 . 11353 1
528 . 1 1 49 49 CYS C C 13 174.899 0.300 . 1 . . . . 49 CYS C . 11353 1
529 . 1 1 49 49 CYS CA C 13 57.549 0.300 . 1 . . . . 49 CYS CA . 11353 1
530 . 1 1 49 49 CYS CB C 13 30.163 0.300 . 1 . . . . 49 CYS CB . 11353 1
531 . 1 1 49 49 CYS N N 15 125.138 0.300 . 1 . . . . 49 CYS N . 11353 1
532 . 1 1 50 50 PRO HA H 1 4.076 0.030 . 1 . . . . 50 PRO HA . 11353 1
533 . 1 1 50 50 PRO HB2 H 1 2.399 0.030 . 2 . . . . 50 PRO HB2 . 11353 1
534 . 1 1 50 50 PRO HB3 H 1 1.962 0.030 . 2 . . . . 50 PRO HB3 . 11353 1
535 . 1 1 50 50 PRO HD2 H 1 3.553 0.030 . 2 . . . . 50 PRO HD2 . 11353 1
536 . 1 1 50 50 PRO HD3 H 1 3.480 0.030 . 2 . . . . 50 PRO HD3 . 11353 1
537 . 1 1 50 50 PRO HG2 H 1 2.209 0.030 . 2 . . . . 50 PRO HG2 . 11353 1
538 . 1 1 50 50 PRO HG3 H 1 2.060 0.030 . 2 . . . . 50 PRO HG3 . 11353 1
539 . 1 1 50 50 PRO C C 13 179.576 0.300 . 1 . . . . 50 PRO C . 11353 1
540 . 1 1 50 50 PRO CA C 13 66.462 0.300 . 1 . . . . 50 PRO CA . 11353 1
541 . 1 1 50 50 PRO CB C 13 32.044 0.300 . 1 . . . . 50 PRO CB . 11353 1
542 . 1 1 50 50 PRO CD C 13 50.343 0.300 . 1 . . . . 50 PRO CD . 11353 1
543 . 1 1 50 50 PRO CG C 13 28.019 0.300 . 1 . . . . 50 PRO CG . 11353 1
544 . 1 1 51 51 GLN H H 1 8.429 0.030 . 1 . . . . 51 GLN H . 11353 1
545 . 1 1 51 51 GLN HA H 1 4.149 0.030 . 1 . . . . 51 GLN HA . 11353 1
546 . 1 1 51 51 GLN HB2 H 1 2.290 0.030 . 2 . . . . 51 GLN HB2 . 11353 1
547 . 1 1 51 51 GLN HB3 H 1 2.160 0.030 . 2 . . . . 51 GLN HB3 . 11353 1
548 . 1 1 51 51 GLN HE21 H 1 6.816 0.030 . 2 . . . . 51 GLN HE21 . 11353 1
549 . 1 1 51 51 GLN HE22 H 1 7.647 0.030 . 2 . . . . 51 GLN HE22 . 11353 1
550 . 1 1 51 51 GLN HG2 H 1 2.450 0.030 . 1 . . . . 51 GLN HG2 . 11353 1
551 . 1 1 51 51 GLN HG3 H 1 2.450 0.030 . 1 . . . . 51 GLN HG3 . 11353 1
552 . 1 1 51 51 GLN C C 13 179.162 0.300 . 1 . . . . 51 GLN C . 11353 1
553 . 1 1 51 51 GLN CA C 13 59.537 0.300 . 1 . . . . 51 GLN CA . 11353 1
554 . 1 1 51 51 GLN CB C 13 28.931 0.300 . 1 . . . . 51 GLN CB . 11353 1
555 . 1 1 51 51 GLN CG C 13 34.660 0.300 . 1 . . . . 51 GLN CG . 11353 1
556 . 1 1 51 51 GLN N N 15 119.437 0.300 . 1 . . . . 51 GLN N . 11353 1
557 . 1 1 51 51 GLN NE2 N 15 111.404 0.300 . 1 . . . . 51 GLN NE2 . 11353 1
558 . 1 1 52 52 CYS H H 1 9.149 0.030 . 1 . . . . 52 CYS H . 11353 1
559 . 1 1 52 52 CYS HA H 1 3.920 0.030 . 1 . . . . 52 CYS HA . 11353 1
560 . 1 1 52 52 CYS HB2 H 1 2.850 0.030 . 2 . . . . 52 CYS HB2 . 11353 1
561 . 1 1 52 52 CYS HB3 H 1 2.792 0.030 . 2 . . . . 52 CYS HB3 . 11353 1
562 . 1 1 52 52 CYS C C 13 178.264 0.300 . 1 . . . . 52 CYS C . 11353 1
563 . 1 1 52 52 CYS CA C 13 65.052 0.300 . 1 . . . . 52 CYS CA . 11353 1
564 . 1 1 52 52 CYS CB C 13 28.879 0.300 . 1 . . . . 52 CYS CB . 11353 1
565 . 1 1 52 52 CYS N N 15 126.900 0.300 . 1 . . . . 52 CYS N . 11353 1
566 . 1 1 53 53 THR H H 1 8.712 0.030 . 1 . . . . 53 THR H . 11353 1
567 . 1 1 53 53 THR HA H 1 3.519 0.030 . 1 . . . . 53 THR HA . 11353 1
568 . 1 1 53 53 THR HB H 1 4.067 0.030 . 1 . . . . 53 THR HB . 11353 1
569 . 1 1 53 53 THR HG21 H 1 1.054 0.030 . 1 . . . . 53 THR HG2 . 11353 1
570 . 1 1 53 53 THR HG22 H 1 1.054 0.030 . 1 . . . . 53 THR HG2 . 11353 1
571 . 1 1 53 53 THR HG23 H 1 1.054 0.030 . 1 . . . . 53 THR HG2 . 11353 1
572 . 1 1 53 53 THR C C 13 176.148 0.300 . 1 . . . . 53 THR C . 11353 1
573 . 1 1 53 53 THR CA C 13 67.394 0.300 . 1 . . . . 53 THR CA . 11353 1
574 . 1 1 53 53 THR CB C 13 68.415 0.300 . 1 . . . . 53 THR CB . 11353 1
575 . 1 1 53 53 THR CG2 C 13 20.594 0.300 . 1 . . . . 53 THR CG2 . 11353 1
576 . 1 1 53 53 THR N N 15 117.383 0.300 . 1 . . . . 53 THR N . 11353 1
577 . 1 1 54 54 ALA H H 1 7.470 0.030 . 1 . . . . 54 ALA H . 11353 1
578 . 1 1 54 54 ALA HA H 1 4.018 0.030 . 1 . . . . 54 ALA HA . 11353 1
579 . 1 1 54 54 ALA HB1 H 1 1.431 0.030 . 1 . . . . 54 ALA HB . 11353 1
580 . 1 1 54 54 ALA HB2 H 1 1.431 0.030 . 1 . . . . 54 ALA HB . 11353 1
581 . 1 1 54 54 ALA HB3 H 1 1.431 0.030 . 1 . . . . 54 ALA HB . 11353 1
582 . 1 1 54 54 ALA C C 13 180.040 0.300 . 1 . . . . 54 ALA C . 11353 1
583 . 1 1 54 54 ALA CA C 13 54.949 0.300 . 1 . . . . 54 ALA CA . 11353 1
584 . 1 1 54 54 ALA CB C 13 17.899 0.300 . 1 . . . . 54 ALA CB . 11353 1
585 . 1 1 54 54 ALA N N 15 122.769 0.300 . 1 . . . . 54 ALA N . 11353 1
586 . 1 1 55 55 ALA H H 1 7.744 0.030 . 1 . . . . 55 ALA H . 11353 1
587 . 1 1 55 55 ALA HA H 1 4.030 0.030 . 1 . . . . 55 ALA HA . 11353 1
588 . 1 1 55 55 ALA HB1 H 1 1.415 0.030 . 1 . . . . 55 ALA HB . 11353 1
589 . 1 1 55 55 ALA HB2 H 1 1.415 0.030 . 1 . . . . 55 ALA HB . 11353 1
590 . 1 1 55 55 ALA HB3 H 1 1.415 0.030 . 1 . . . . 55 ALA HB . 11353 1
591 . 1 1 55 55 ALA C C 13 180.220 0.300 . 1 . . . . 55 ALA C . 11353 1
592 . 1 1 55 55 ALA CA C 13 54.771 0.300 . 1 . . . . 55 ALA CA . 11353 1
593 . 1 1 55 55 ALA CB C 13 18.372 0.300 . 1 . . . . 55 ALA CB . 11353 1
594 . 1 1 55 55 ALA N N 15 120.558 0.300 . 1 . . . . 55 ALA N . 11353 1
595 . 1 1 56 56 MET H H 1 8.033 0.030 . 1 . . . . 56 MET H . 11353 1
596 . 1 1 56 56 MET HA H 1 3.957 0.030 . 1 . . . . 56 MET HA . 11353 1
597 . 1 1 56 56 MET HB2 H 1 1.903 0.030 . 1 . . . . 56 MET HB2 . 11353 1
598 . 1 1 56 56 MET HB3 H 1 1.903 0.030 . 1 . . . . 56 MET HB3 . 11353 1
599 . 1 1 56 56 MET HE1 H 1 1.405 0.030 . 1 . . . . 56 MET HE . 11353 1
600 . 1 1 56 56 MET HE2 H 1 1.405 0.030 . 1 . . . . 56 MET HE . 11353 1
601 . 1 1 56 56 MET HE3 H 1 1.405 0.030 . 1 . . . . 56 MET HE . 11353 1
602 . 1 1 56 56 MET HG2 H 1 2.411 0.030 . 2 . . . . 56 MET HG2 . 11353 1
603 . 1 1 56 56 MET HG3 H 1 2.279 0.030 . 2 . . . . 56 MET HG3 . 11353 1
604 . 1 1 56 56 MET C C 13 178.111 0.300 . 1 . . . . 56 MET C . 11353 1
605 . 1 1 56 56 MET CA C 13 58.112 0.300 . 1 . . . . 56 MET CA . 11353 1
606 . 1 1 56 56 MET CB C 13 33.064 0.300 . 1 . . . . 56 MET CB . 11353 1
607 . 1 1 56 56 MET CE C 13 16.139 0.300 . 1 . . . . 56 MET CE . 11353 1
608 . 1 1 56 56 MET CG C 13 32.104 0.300 . 1 . . . . 56 MET CG . 11353 1
609 . 1 1 56 56 MET N N 15 117.391 0.300 . 1 . . . . 56 MET N . 11353 1
610 . 1 1 57 57 LYS H H 1 7.635 0.030 . 1 . . . . 57 LYS H . 11353 1
611 . 1 1 57 57 LYS HA H 1 4.094 0.030 . 1 . . . . 57 LYS HA . 11353 1
612 . 1 1 57 57 LYS HB2 H 1 1.845 0.030 . 2 . . . . 57 LYS HB2 . 11353 1
613 . 1 1 57 57 LYS HB3 H 1 1.787 0.030 . 2 . . . . 57 LYS HB3 . 11353 1
614 . 1 1 57 57 LYS HD2 H 1 1.597 0.030 . 1 . . . . 57 LYS HD2 . 11353 1
615 . 1 1 57 57 LYS HD3 H 1 1.597 0.030 . 1 . . . . 57 LYS HD3 . 11353 1
616 . 1 1 57 57 LYS HE2 H 1 2.886 0.030 . 1 . . . . 57 LYS HE2 . 11353 1
617 . 1 1 57 57 LYS HE3 H 1 2.886 0.030 . 1 . . . . 57 LYS HE3 . 11353 1
618 . 1 1 57 57 LYS HG2 H 1 1.497 0.030 . 2 . . . . 57 LYS HG2 . 11353 1
619 . 1 1 57 57 LYS HG3 H 1 1.376 0.030 . 2 . . . . 57 LYS HG3 . 11353 1
620 . 1 1 57 57 LYS C C 13 177.845 0.300 . 1 . . . . 57 LYS C . 11353 1
621 . 1 1 57 57 LYS CA C 13 57.951 0.300 . 1 . . . . 57 LYS CA . 11353 1
622 . 1 1 57 57 LYS CB C 13 32.485 0.300 . 1 . . . . 57 LYS CB . 11353 1
623 . 1 1 57 57 LYS CD C 13 29.176 0.300 . 1 . . . . 57 LYS CD . 11353 1
624 . 1 1 57 57 LYS CE C 13 42.099 0.300 . 1 . . . . 57 LYS CE . 11353 1
625 . 1 1 57 57 LYS CG C 13 25.154 0.300 . 1 . . . . 57 LYS CG . 11353 1
626 . 1 1 57 57 LYS N N 15 119.345 0.300 . 1 . . . . 57 LYS N . 11353 1
627 . 1 1 58 58 ARG H H 1 7.649 0.030 . 1 . . . . 58 ARG H . 11353 1
628 . 1 1 58 58 ARG HA H 1 4.204 0.030 . 1 . . . . 58 ARG HA . 11353 1
629 . 1 1 58 58 ARG HB2 H 1 1.843 0.030 . 1 . . . . 58 ARG HB2 . 11353 1
630 . 1 1 58 58 ARG HB3 H 1 1.843 0.030 . 1 . . . . 58 ARG HB3 . 11353 1
631 . 1 1 58 58 ARG HD2 H 1 3.157 0.030 . 1 . . . . 58 ARG HD2 . 11353 1
632 . 1 1 58 58 ARG HD3 H 1 3.157 0.030 . 1 . . . . 58 ARG HD3 . 11353 1
633 . 1 1 58 58 ARG HG2 H 1 1.679 0.030 . 2 . . . . 58 ARG HG2 . 11353 1
634 . 1 1 58 58 ARG HG3 H 1 1.572 0.030 . 2 . . . . 58 ARG HG3 . 11353 1
635 . 1 1 58 58 ARG C C 13 177.093 0.300 . 1 . . . . 58 ARG C . 11353 1
636 . 1 1 58 58 ARG CA C 13 57.224 0.300 . 1 . . . . 58 ARG CA . 11353 1
637 . 1 1 58 58 ARG CB C 13 30.569 0.300 . 1 . . . . 58 ARG CB . 11353 1
638 . 1 1 58 58 ARG CD C 13 43.512 0.300 . 1 . . . . 58 ARG CD . 11353 1
639 . 1 1 58 58 ARG CG C 13 27.460 0.300 . 1 . . . . 58 ARG CG . 11353 1
640 . 1 1 58 58 ARG N N 15 118.960 0.300 . 1 . . . . 58 ARG N . 11353 1
641 . 1 1 59 59 ARG H H 1 7.919 0.030 . 1 . . . . 59 ARG H . 11353 1
642 . 1 1 59 59 ARG HA H 1 4.213 0.030 . 1 . . . . 59 ARG HA . 11353 1
643 . 1 1 59 59 ARG HB2 H 1 1.816 0.030 . 1 . . . . 59 ARG HB2 . 11353 1
644 . 1 1 59 59 ARG HB3 H 1 1.816 0.030 . 1 . . . . 59 ARG HB3 . 11353 1
645 . 1 1 59 59 ARG HD2 H 1 3.129 0.030 . 1 . . . . 59 ARG HD2 . 11353 1
646 . 1 1 59 59 ARG HD3 H 1 3.129 0.030 . 1 . . . . 59 ARG HD3 . 11353 1
647 . 1 1 59 59 ARG HG2 H 1 1.637 0.030 . 1 . . . . 59 ARG HG2 . 11353 1
648 . 1 1 59 59 ARG HG3 H 1 1.637 0.030 . 1 . . . . 59 ARG HG3 . 11353 1
649 . 1 1 59 59 ARG C C 13 177.320 0.300 . 1 . . . . 59 ARG C . 11353 1
650 . 1 1 59 59 ARG CA C 13 57.189 0.300 . 1 . . . . 59 ARG CA . 11353 1
651 . 1 1 59 59 ARG CB C 13 30.697 0.300 . 1 . . . . 59 ARG CB . 11353 1
652 . 1 1 59 59 ARG CD C 13 43.389 0.300 . 1 . . . . 59 ARG CD . 11353 1
653 . 1 1 59 59 ARG CG C 13 27.258 0.300 . 1 . . . . 59 ARG CG . 11353 1
654 . 1 1 59 59 ARG N N 15 120.108 0.300 . 1 . . . . 59 ARG N . 11353 1
655 . 1 1 60 60 GLY H H 1 8.182 0.030 . 1 . . . . 60 GLY H . 11353 1
656 . 1 1 60 60 GLY HA2 H 1 3.985 0.030 . 1 . . . . 60 GLY HA2 . 11353 1
657 . 1 1 60 60 GLY HA3 H 1 3.985 0.030 . 1 . . . . 60 GLY HA3 . 11353 1
658 . 1 1 60 60 GLY C C 13 174.225 0.300 . 1 . . . . 60 GLY C . 11353 1
659 . 1 1 60 60 GLY CA C 13 45.386 0.300 . 1 . . . . 60 GLY CA . 11353 1
660 . 1 1 60 60 GLY N N 15 108.582 0.300 . 1 . . . . 60 GLY N . 11353 1
661 . 1 1 61 61 SER H H 1 8.180 0.030 . 1 . . . . 61 SER H . 11353 1
662 . 1 1 61 61 SER HA H 1 4.476 0.030 . 1 . . . . 61 SER HA . 11353 1
663 . 1 1 61 61 SER HB2 H 1 3.912 0.030 . 1 . . . . 61 SER HB2 . 11353 1
664 . 1 1 61 61 SER HB3 H 1 3.912 0.030 . 1 . . . . 61 SER HB3 . 11353 1
665 . 1 1 61 61 SER C C 13 174.247 0.300 . 1 . . . . 61 SER C . 11353 1
666 . 1 1 61 61 SER CA C 13 58.254 0.300 . 1 . . . . 61 SER CA . 11353 1
667 . 1 1 61 61 SER CB C 13 63.988 0.300 . 1 . . . . 61 SER CB . 11353 1
668 . 1 1 61 61 SER N N 15 115.712 0.300 . 1 . . . . 61 SER N . 11353 1
669 . 1 1 62 62 ARG HA H 1 4.304 0.030 . 1 . . . . 62 ARG HA . 11353 1
670 . 1 1 62 62 ARG HB2 H 1 1.779 0.030 . 2 . . . . 62 ARG HB2 . 11353 1
671 . 1 1 62 62 ARG HB3 H 1 1.695 0.030 . 2 . . . . 62 ARG HB3 . 11353 1
672 . 1 1 62 62 ARG HD2 H 1 3.118 0.030 . 1 . . . . 62 ARG HD2 . 11353 1
673 . 1 1 62 62 ARG HD3 H 1 3.118 0.030 . 1 . . . . 62 ARG HD3 . 11353 1
674 . 1 1 62 62 ARG HG2 H 1 1.530 0.030 . 1 . . . . 62 ARG HG2 . 11353 1
675 . 1 1 62 62 ARG HG3 H 1 1.530 0.030 . 1 . . . . 62 ARG HG3 . 11353 1
676 . 1 1 62 62 ARG CA C 13 56.289 0.300 . 1 . . . . 62 ARG CA . 11353 1
677 . 1 1 62 62 ARG CB C 13 30.579 0.300 . 1 . . . . 62 ARG CB . 11353 1
678 . 1 1 62 62 ARG CD C 13 43.343 0.300 . 1 . . . . 62 ARG CD . 11353 1
679 . 1 1 62 62 ARG CG C 13 26.985 0.300 . 1 . . . . 62 ARG CG . 11353 1
680 . 1 1 63 63 HIS HA H 1 4.595 0.030 . 1 . . . . 63 HIS HA . 11353 1
681 . 1 1 63 63 HIS HB2 H 1 3.088 0.030 . 2 . . . . 63 HIS HB2 . 11353 1
682 . 1 1 63 63 HIS HB3 H 1 3.020 0.030 . 2 . . . . 63 HIS HB3 . 11353 1
683 . 1 1 63 63 HIS HD2 H 1 6.983 0.030 . 1 . . . . 63 HIS HD2 . 11353 1
684 . 1 1 63 63 HIS HE1 H 1 7.809 0.030 . 1 . . . . 63 HIS HE1 . 11353 1
685 . 1 1 63 63 HIS C C 13 175.307 0.300 . 1 . . . . 63 HIS C . 11353 1
686 . 1 1 63 63 HIS CA C 13 56.408 0.300 . 1 . . . . 63 HIS CA . 11353 1
687 . 1 1 63 63 HIS CB C 13 31.046 0.300 . 1 . . . . 63 HIS CB . 11353 1
688 . 1 1 63 63 HIS CD2 C 13 119.894 0.300 . 1 . . . . 63 HIS CD2 . 11353 1
689 . 1 1 63 63 HIS CE1 C 13 138.436 0.300 . 1 . . . . 63 HIS CE1 . 11353 1
690 . 1 1 64 64 LYS H H 1 8.237 0.030 . 1 . . . . 64 LYS H . 11353 1
691 . 1 1 64 64 LYS HA H 1 4.308 0.030 . 1 . . . . 64 LYS HA . 11353 1
692 . 1 1 64 64 LYS HB2 H 1 1.810 0.030 . 2 . . . . 64 LYS HB2 . 11353 1
693 . 1 1 64 64 LYS HB3 H 1 1.710 0.030 . 2 . . . . 64 LYS HB3 . 11353 1
694 . 1 1 64 64 LYS HD2 H 1 1.647 0.030 . 1 . . . . 64 LYS HD2 . 11353 1
695 . 1 1 64 64 LYS HD3 H 1 1.647 0.030 . 1 . . . . 64 LYS HD3 . 11353 1
696 . 1 1 64 64 LYS HE2 H 1 2.950 0.030 . 1 . . . . 64 LYS HE2 . 11353 1
697 . 1 1 64 64 LYS HE3 H 1 2.950 0.030 . 1 . . . . 64 LYS HE3 . 11353 1
698 . 1 1 64 64 LYS HG2 H 1 1.346 0.030 . 1 . . . . 64 LYS HG2 . 11353 1
699 . 1 1 64 64 LYS HG3 H 1 1.346 0.030 . 1 . . . . 64 LYS HG3 . 11353 1
700 . 1 1 64 64 LYS C C 13 176.158 0.300 . 1 . . . . 64 LYS C . 11353 1
701 . 1 1 64 64 LYS CA C 13 56.363 0.300 . 1 . . . . 64 LYS CA . 11353 1
702 . 1 1 64 64 LYS CB C 13 33.164 0.300 . 1 . . . . 64 LYS CB . 11353 1
703 . 1 1 64 64 LYS CD C 13 28.974 0.300 . 1 . . . . 64 LYS CD . 11353 1
704 . 1 1 64 64 LYS CE C 13 42.099 0.300 . 1 . . . . 64 LYS CE . 11353 1
705 . 1 1 64 64 LYS CG C 13 24.621 0.300 . 1 . . . . 64 LYS CG . 11353 1
706 . 1 1 64 64 LYS N N 15 123.187 0.300 . 1 . . . . 64 LYS N . 11353 1
707 . 1 1 65 65 SER H H 1 8.363 0.030 . 1 . . . . 65 SER H . 11353 1
708 . 1 1 65 65 SER C C 13 179.001 0.300 . 1 . . . . 65 SER C . 11353 1
709 . 1 1 65 65 SER N N 15 117.257 0.300 . 1 . . . . 65 SER N . 11353 1
710 . 1 1 66 66 GLY H H 1 8.239 0.030 . 1 . . . . 66 GLY H . 11353 1
711 . 1 1 66 66 GLY HA2 H 1 4.091 0.030 . 1 . . . . 66 GLY HA2 . 11353 1
712 . 1 1 66 66 GLY HA3 H 1 4.091 0.030 . 1 . . . . 66 GLY HA3 . 11353 1
713 . 1 1 66 66 GLY CA C 13 44.629 0.300 . 1 . . . . 66 GLY CA . 11353 1
714 . 1 1 66 66 GLY N N 15 110.602 0.300 . 1 . . . . 66 GLY N . 11353 1
715 . 1 1 67 67 PRO HA H 1 4.440 0.030 . 1 . . . . 67 PRO HA . 11353 1
716 . 1 1 67 67 PRO HB2 H 1 2.244 0.030 . 2 . . . . 67 PRO HB2 . 11353 1
717 . 1 1 67 67 PRO HB3 H 1 1.962 0.030 . 2 . . . . 67 PRO HB3 . 11353 1
718 . 1 1 67 67 PRO HD2 H 1 3.599 0.030 . 2 . . . . 67 PRO HD2 . 11353 1
719 . 1 1 67 67 PRO HD3 H 1 3.540 0.030 . 2 . . . . 67 PRO HD3 . 11353 1
720 . 1 1 67 67 PRO HG2 H 1 1.972 0.030 . 1 . . . . 67 PRO HG2 . 11353 1
721 . 1 1 67 67 PRO HG3 H 1 1.972 0.030 . 1 . . . . 67 PRO HG3 . 11353 1
722 . 1 1 67 67 PRO C C 13 177.382 0.300 . 1 . . . . 67 PRO C . 11353 1
723 . 1 1 67 67 PRO CA C 13 63.310 0.300 . 1 . . . . 67 PRO CA . 11353 1
724 . 1 1 67 67 PRO CB C 13 32.130 0.300 . 1 . . . . 67 PRO CB . 11353 1
725 . 1 1 67 67 PRO CD C 13 49.772 0.300 . 1 . . . . 67 PRO CD . 11353 1
726 . 1 1 67 67 PRO CG C 13 27.107 0.300 . 1 . . . . 67 PRO CG . 11353 1
727 . 1 1 68 68 SER H H 1 8.495 0.030 . 1 . . . . 68 SER H . 11353 1
728 . 1 1 68 68 SER N N 15 116.187 0.300 . 1 . . . . 68 SER N . 11353 1
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