###################################
# 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_1H
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1H
_Assigned_chem_shift_list.Entry_ID 15289
_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
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err 0.04
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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-1H NOESY' . . . 15289 1
2 '2D 1H-1H TOCSY' . . . 15289 1
3 '2D 1H-1H COSY' . . . 15289 1
4 '2D 1H-15N HSQC' . . . 15289 1
5 '3D 1H-15N NOESY' . . . 15289 1
6 '3D 1H-15N TOCSY' . . . 15289 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 $XEASY . . 15289 1
2 $NMRView . . 15289 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 VAL H H 1 8.618 0.04 . 1 . . . . 2 VAL H . 15289 1
2 . 1 1 2 2 VAL HA H 1 3.911 0.001 . 1 . . . . 2 VAL HA . 15289 1
3 . 1 1 2 2 VAL HB H 1 1.371 0.04 . 1 . . . . 2 VAL HB . 15289 1
4 . 1 1 2 2 VAL HG11 H 1 0.863 0.04 . 2 . . . . 2 VAL HG11 . 15289 1
5 . 1 1 2 2 VAL HG12 H 1 0.863 0.04 . 2 . . . . 2 VAL HG12 . 15289 1
6 . 1 1 2 2 VAL HG13 H 1 0.863 0.04 . 2 . . . . 2 VAL HG13 . 15289 1
7 . 1 1 2 2 VAL HG21 H 1 0.830 0.003 . 2 . . . . 2 VAL HG21 . 15289 1
8 . 1 1 2 2 VAL HG22 H 1 0.830 0.003 . 2 . . . . 2 VAL HG22 . 15289 1
9 . 1 1 2 2 VAL HG23 H 1 0.830 0.003 . 2 . . . . 2 VAL HG23 . 15289 1
10 . 1 1 2 2 VAL N N 15 124.988 0.1 . 1 . . . . 2 VAL N . 15289 1
11 . 1 1 3 3 GLN H H 1 7.630 0.002 . 1 . . . . 3 GLN H . 15289 1
12 . 1 1 3 3 GLN HA H 1 4.295 0.003 . 1 . . . . 3 GLN HA . 15289 1
13 . 1 1 3 3 GLN HB2 H 1 1.624 0.006 . 2 . . . . 3 GLN HB2 . 15289 1
14 . 1 1 3 3 GLN HB3 H 1 1.571 0.005 . 2 . . . . 3 GLN HB3 . 15289 1
15 . 1 1 3 3 GLN HG2 H 1 2.198 0.003 . 1 . . . . 3 GLN HG2 . 15289 1
16 . 1 1 3 3 GLN HG3 H 1 2.198 0.036 . 1 . . . . 3 GLN HG3 . 15289 1
17 . 1 1 3 3 GLN N N 15 117.905 0.1 . 1 . . . . 3 GLN N . 15289 1
18 . 1 1 4 4 SER H H 1 8.364 0.002 . 1 . . . . 4 SER H . 15289 1
19 . 1 1 4 4 SER HA H 1 4.925 0.04 . 1 . . . . 4 SER HA . 15289 1
20 . 1 1 4 4 SER HB2 H 1 4.021 0.003 . 2 . . . . 4 SER HB2 . 15289 1
21 . 1 1 4 4 SER HB3 H 1 3.821 0.003 . 2 . . . . 4 SER HB3 . 15289 1
22 . 1 1 4 4 SER N N 15 117.226 0.1 . 1 . . . . 4 SER N . 15289 1
23 . 1 1 5 5 CYS H H 1 8.556 0.004 . 1 . . . . 5 CYS H . 15289 1
24 . 1 1 5 5 CYS HA H 1 4.671 0.002 . 1 . . . . 5 CYS HA . 15289 1
25 . 1 1 5 5 CYS HB2 H 1 3.241 0.003 . 2 . . . . 5 CYS HB2 . 15289 1
26 . 1 1 5 5 CYS HB3 H 1 3.031 0.004 . 2 . . . . 5 CYS HB3 . 15289 1
27 . 1 1 5 5 CYS N N 15 124.939 0.1 . 1 . . . . 5 CYS N . 15289 1
28 . 1 1 6 6 SER H H 1 9.296 0.004 . 1 . . . . 6 SER H . 15289 1
29 . 1 1 6 6 SER HA H 1 4.689 0.004 . 1 . . . . 6 SER HA . 15289 1
30 . 1 1 6 6 SER HB2 H 1 4.125 0.003 . 2 . . . . 6 SER HB2 . 15289 1
31 . 1 1 6 6 SER HB3 H 1 4.028 0.003 . 2 . . . . 6 SER HB3 . 15289 1
32 . 1 1 6 6 SER N N 15 123.387 0.1 . 1 . . . . 6 SER N . 15289 1
33 . 1 1 7 7 ALA H H 1 9.407 0.002 . 1 . . . . 7 ALA H . 15289 1
34 . 1 1 7 7 ALA HA H 1 3.901 0.002 . 1 . . . . 7 ALA HA . 15289 1
35 . 1 1 7 7 ALA HB1 H 1 1.062 0.003 . 1 . . . . 7 ALA HB1 . 15289 1
36 . 1 1 7 7 ALA HB2 H 1 1.062 0.003 . 1 . . . . 7 ALA HB2 . 15289 1
37 . 1 1 7 7 ALA HB3 H 1 1.062 0.003 . 1 . . . . 7 ALA HB3 . 15289 1
38 . 1 1 7 7 ALA N N 15 127.499 0.1 . 1 . . . . 7 ALA N . 15289 1
39 . 1 1 8 8 TYR H H 1 8.843 0.004 . 1 . . . . 8 TYR H . 15289 1
40 . 1 1 8 8 TYR HA H 1 4.064 0.002 . 1 . . . . 8 TYR HA . 15289 1
41 . 1 1 8 8 TYR HB2 H 1 2.883 0.002 . 2 . . . . 8 TYR HB2 . 15289 1
42 . 1 1 8 8 TYR HB3 H 1 2.802 0.003 . 2 . . . . 8 TYR HB3 . 15289 1
43 . 1 1 8 8 TYR HD1 H 1 7.018 0.003 . 3 . . . . 8 TYR HD1 . 15289 1
44 . 1 1 8 8 TYR HD2 H 1 7.018 0.003 . 3 . . . . 8 TYR HD2 . 15289 1
45 . 1 1 8 8 TYR HE1 H 1 6.841 0.002 . 3 . . . . 8 TYR HE1 . 15289 1
46 . 1 1 8 8 TYR HE2 H 1 6.841 0.002 . 3 . . . . 8 TYR HE2 . 15289 1
47 . 1 1 8 8 TYR N N 15 125.223 0.1 . 1 . . . . 8 TYR N . 15289 1
48 . 1 1 9 9 GLY H H 1 8.337 0.005 . 1 . . . . 9 GLY H . 15289 1
49 . 1 1 9 9 GLY HA2 H 1 3.807 0.002 . 2 . . . . 9 GLY HA2 . 15289 1
50 . 1 1 9 9 GLY HA3 H 1 3.285 0.003 . 2 . . . . 9 GLY HA3 . 15289 1
51 . 1 1 9 9 GLY N N 15 115.186 0.1 . 1 . . . . 9 GLY N . 15289 1
52 . 1 1 10 10 CYS H H 1 7.719 0.002 . 1 . . . . 10 CYS H . 15289 1
53 . 1 1 10 10 CYS HA H 1 4.425 0.002 . 1 . . . . 10 CYS HA . 15289 1
54 . 1 1 10 10 CYS HB2 H 1 2.759 0.004 . 2 . . . . 10 CYS HB2 . 15289 1
55 . 1 1 10 10 CYS HB3 H 1 3.137 0.004 . 2 . . . . 10 CYS HB3 . 15289 1
56 . 1 1 10 10 CYS N N 15 123.248 0.1 . 1 . . . . 10 CYS N . 15289 1
57 . 1 1 11 11 LYS H H 1 8.898 0.002 . 1 . . . . 11 LYS H . 15289 1
58 . 1 1 11 11 LYS HA H 1 4.575 0.002 . 1 . . . . 11 LYS HA . 15289 1
59 . 1 1 11 11 LYS HB2 H 1 1.760 0.007 . 2 . . . . 11 LYS HB2 . 15289 1
60 . 1 1 11 11 LYS HB3 H 1 1.682 0.004 . 2 . . . . 11 LYS HB3 . 15289 1
61 . 1 1 11 11 LYS HD2 H 1 1.466 0.003 . 1 . . . . 11 LYS HD2 . 15289 1
62 . 1 1 11 11 LYS HD3 H 1 1.466 0.003 . 1 . . . . 11 LYS HD3 . 15289 1
63 . 1 1 11 11 LYS HE2 H 1 2.982 0.005 . 1 . . . . 11 LYS HE2 . 15289 1
64 . 1 1 11 11 LYS HE3 H 1 2.982 0.005 . 1 . . . . 11 LYS HE3 . 15289 1
65 . 1 1 11 11 LYS HG2 H 1 2.106 0.003 . 1 . . . . 11 LYS HG2 . 15289 1
66 . 1 1 11 11 LYS HG3 H 1 2.106 0.003 . 1 . . . . 11 LYS HG3 . 15289 1
67 . 1 1 11 11 LYS N N 15 128.697 0.1 . 1 . . . . 11 LYS N . 15289 1
68 . 1 1 12 12 ASN H H 1 8.849 0.002 . 1 . . . . 12 ASN H . 15289 1
69 . 1 1 12 12 ASN HA H 1 4.817 0.04 . 1 . . . . 12 ASN HA . 15289 1
70 . 1 1 12 12 ASN HB2 H 1 3.190 0.003 . 2 . . . . 12 ASN HB2 . 15289 1
71 . 1 1 12 12 ASN HB3 H 1 2.687 0.003 . 2 . . . . 12 ASN HB3 . 15289 1
72 . 1 1 12 12 ASN HD21 H 1 8.744 0.003 . 1 . . . . 12 ASN HD21 . 15289 1
73 . 1 1 12 12 ASN HD22 H 1 7.356 0.003 . 1 . . . . 12 ASN HD22 . 15289 1
74 . 1 1 12 12 ASN N N 15 122.597 0.1 . 1 . . . . 12 ASN N . 15289 1
75 . 1 1 12 12 ASN ND2 N 15 119.636 0.1 . 1 . . . . 12 ASN N . 15289 1
76 . 1 1 13 13 ARG H H 1 8.563 0.002 . 1 . . . . 13 ARG H . 15289 1
77 . 1 1 13 13 ARG HA H 1 4.845 0.003 . 1 . . . . 13 ARG HA . 15289 1
78 . 1 1 13 13 ARG HB2 H 1 1.782 0.003 . 2 . . . . 13 ARG HB2 . 15289 1
79 . 1 1 13 13 ARG HB3 H 1 1.691 0.003 . 2 . . . . 13 ARG HB3 . 15289 1
80 . 1 1 13 13 ARG HD2 H 1 3.965 0.003 . 1 . . . . 13 ARG HD2 . 15289 1
81 . 1 1 13 13 ARG HD3 H 1 3.965 0.003 . 1 . . . . 13 ARG HD3 . 15289 1
82 . 1 1 13 13 ARG HG2 H 1 1.297 0.003 . 1 . . . . 13 ARG HG2 . 15289 1
83 . 1 1 13 13 ARG HG3 H 1 1.297 0.003 . 1 . . . . 13 ARG HG3 . 15289 1
84 . 1 1 13 13 ARG N N 15 121.201 0.1 . 1 . . . . 13 ARG N . 15289 1
85 . 1 1 14 14 TYR H H 1 7.908 0.004 . 1 . . . . 14 TYR H . 15289 1
86 . 1 1 14 14 TYR HA H 1 3.776 0.002 . 1 . . . . 14 TYR HA . 15289 1
87 . 1 1 14 14 TYR HB2 H 1 2.513 0.004 . 2 . . . . 14 TYR HB2 . 15289 1
88 . 1 1 14 14 TYR HB3 H 1 2.235 0.004 . 2 . . . . 14 TYR HB3 . 15289 1
89 . 1 1 14 14 TYR HD1 H 1 7.034 0.003 . 3 . . . . 14 TYR HD1 . 15289 1
90 . 1 1 14 14 TYR HD2 H 1 7.034 0.003 . 3 . . . . 14 TYR HD2 . 15289 1
91 . 1 1 14 14 TYR HE1 H 1 6.901 0.003 . 3 . . . . 14 TYR HE1 . 15289 1
92 . 1 1 14 14 TYR HE2 H 1 6.901 0.003 . 3 . . . . 14 TYR HE2 . 15289 1
93 . 1 1 14 14 TYR N N 15 122.878 0.1 . 1 . . . . 14 TYR N . 15289 1
94 . 1 1 15 15 ASP H H 1 7.279 0.003 . 1 . . . . 15 ASP H . 15289 1
95 . 1 1 15 15 ASP HA H 1 4.282 0.003 . 1 . . . . 15 ASP HA . 15289 1
96 . 1 1 15 15 ASP HB2 H 1 2.538 0.002 . 2 . . . . 15 ASP HB2 . 15289 1
97 . 1 1 15 15 ASP HB3 H 1 2.495 0.002 . 2 . . . . 15 ASP HB3 . 15289 1
98 . 1 1 15 15 ASP N N 15 127.645 0.1 . 1 . . . . 15 ASP N . 15289 1
99 . 1 1 16 16 LYS H H 1 8.686 0.002 . 1 . . . . 16 LYS H . 15289 1
100 . 1 1 16 16 LYS HA H 1 4.046 0.003 . 1 . . . . 16 LYS HA . 15289 1
101 . 1 1 16 16 LYS HB2 H 1 1.858 0.003 . 2 . . . . 16 LYS HB2 . 15289 1
102 . 1 1 16 16 LYS HB3 H 1 1.832 0.005 . 2 . . . . 16 LYS HB3 . 15289 1
103 . 1 1 16 16 LYS HD2 H 1 1.450 0.002 . 1 . . . . 16 LYS HD2 . 15289 1
104 . 1 1 16 16 LYS HD3 H 1 1.450 0.002 . 1 . . . . 16 LYS HD3 . 15289 1
105 . 1 1 16 16 LYS HE2 H 1 3.050 0.003 . 1 . . . . 16 LYS HE2 . 15289 1
106 . 1 1 16 16 LYS HE3 H 1 3.050 0.003 . 1 . . . . 16 LYS HE3 . 15289 1
107 . 1 1 16 16 LYS HG2 H 1 1.364 0.003 . 1 . . . . 16 LYS HG2 . 15289 1
108 . 1 1 16 16 LYS HG3 H 1 1.364 0.003 . 1 . . . . 16 LYS HG3 . 15289 1
109 . 1 1 16 16 LYS N N 15 126.995 0.1 . 1 . . . . 16 LYS N . 15289 1
110 . 1 1 17 17 ASP H H 1 8.632 0.002 . 1 . . . . 17 ASP H . 15289 1
111 . 1 1 17 17 ASP HA H 1 4.771 0.04 . 1 . . . . 17 ASP HA . 15289 1
112 . 1 1 17 17 ASP HB2 H 1 2.842 0.003 . 2 . . . . 17 ASP HB2 . 15289 1
113 . 1 1 17 17 ASP HB3 H 1 2.525 0.003 . 2 . . . . 17 ASP HB3 . 15289 1
114 . 1 1 17 17 ASP N N 15 118.836 0.1 . 1 . . . . 17 ASP N . 15289 1
115 . 1 1 18 18 LYS H H 1 7.833 0.002 . 1 . . . . 18 LYS H . 15289 1
116 . 1 1 18 18 LYS HA H 1 4.842 0.04 . 1 . . . . 18 LYS HA . 15289 1
117 . 1 1 18 18 LYS HB2 H 1 1.876 0.002 . 2 . . . . 18 LYS HB2 . 15289 1
118 . 1 1 18 18 LYS HB3 H 1 1.837 0.003 . 2 . . . . 18 LYS HB3 . 15289 1
119 . 1 1 18 18 LYS HD2 H 1 1.306 0.002 . 1 . . . . 18 LYS HD2 . 15289 1
120 . 1 1 18 18 LYS HD3 H 1 1.306 0.002 . 1 . . . . 18 LYS HD3 . 15289 1
121 . 1 1 18 18 LYS HE2 H 1 2.968 0.003 . 1 . . . . 18 LYS HE2 . 15289 1
122 . 1 1 18 18 LYS HE3 H 1 2.968 0.003 . 1 . . . . 18 LYS HE3 . 15289 1
123 . 1 1 18 18 LYS HG2 H 1 1.291 0.002 . 1 . . . . 18 LYS HG2 . 15289 1
124 . 1 1 18 18 LYS HG3 H 1 1.291 0.002 . 1 . . . . 18 LYS HG3 . 15289 1
125 . 1 1 18 18 LYS N N 15 120.435 0.1 . 1 . . . . 18 LYS N . 15289 1
126 . 1 1 19 19 PRO HA H 1 4.635 0.04 . 1 . . . . 19 PRO HA . 15289 1
127 . 1 1 19 19 PRO HB2 H 1 2.230 0.003 . 2 . . . . 19 PRO HB2 . 15289 1
128 . 1 1 19 19 PRO HB3 H 1 1.961 0.003 . 2 . . . . 19 PRO HB3 . 15289 1
129 . 1 1 19 19 PRO HD2 H 1 3.703 0.003 . 2 . . . . 19 PRO HD2 . 15289 1
130 . 1 1 19 19 PRO HD3 H 1 3.677 0.003 . 2 . . . . 19 PRO HD3 . 15289 1
131 . 1 1 19 19 PRO HG2 H 1 2.052 0.003 . 2 . . . . 19 PRO HG2 . 15289 1
132 . 1 1 19 19 PRO HG3 H 1 1.852 0.004 . 2 . . . . 19 PRO HG3 . 15289 1
133 . 1 1 20 20 VAL H H 1 7.261 0.002 . 1 . . . . 20 VAL H . 15289 1
134 . 1 1 20 20 VAL HA H 1 3.847 0.003 . 1 . . . . 20 VAL HA . 15289 1
135 . 1 1 20 20 VAL HB H 1 1.905 0.002 . 1 . . . . 20 VAL HB . 15289 1
136 . 1 1 20 20 VAL HG11 H 1 0.833 0.002 . 2 . . . . 20 VAL HG11 . 15289 1
137 . 1 1 20 20 VAL HG12 H 1 0.833 0.002 . 2 . . . . 20 VAL HG12 . 15289 1
138 . 1 1 20 20 VAL HG13 H 1 0.833 0.002 . 2 . . . . 20 VAL HG13 . 15289 1
139 . 1 1 20 20 VAL HG21 H 1 0.796 0.002 . 2 . . . . 20 VAL HG21 . 15289 1
140 . 1 1 20 20 VAL HG22 H 1 0.796 0.002 . 2 . . . . 20 VAL HG22 . 15289 1
141 . 1 1 20 20 VAL HG23 H 1 0.796 0.002 . 2 . . . . 20 VAL HG23 . 15289 1
142 . 1 1 20 20 VAL N N 15 122.772 0.1 . 1 . . . . 20 VAL N . 15289 1
143 . 1 1 21 21 SER H H 1 8.563 0.04 . 1 . . . . 21 SER H . 15289 1
144 . 1 1 21 21 SER HA H 1 4.964 0.04 . 1 . . . . 21 SER HA . 15289 1
145 . 1 1 21 21 SER HB2 H 1 3.956 0.004 . 2 . . . . 21 SER HB2 . 15289 1
146 . 1 1 21 21 SER HB3 H 1 3.752 0.003 . 2 . . . . 21 SER HB3 . 15289 1
147 . 1 1 21 21 SER N N 15 122.589 0.1 . 1 . . . . 21 SER N . 15289 1
148 . 1 1 22 22 PHE H H 1 8.588 0.04 . 1 . . . . 22 PHE H . 15289 1
149 . 1 1 22 22 PHE HA H 1 4.414 0.001 . 1 . . . . 22 PHE HA . 15289 1
150 . 1 1 22 22 PHE HB2 H 1 2.752 0.004 . 1 . . . . 22 PHE HB2 . 15289 1
151 . 1 1 22 22 PHE HB3 H 1 2.752 0.002 . 1 . . . . 22 PHE HB3 . 15289 1
152 . 1 1 22 22 PHE HD1 H 1 7.162 0.002 . 3 . . . . 22 PHE HD1 . 15289 1
153 . 1 1 22 22 PHE HD2 H 1 7.162 0.002 . 3 . . . . 22 PHE HD2 . 15289 1
154 . 1 1 22 22 PHE HE1 H 1 7.122 0.003 . 3 . . . . 22 PHE HE1 . 15289 1
155 . 1 1 22 22 PHE HE2 H 1 7.122 0.003 . 3 . . . . 22 PHE HE2 . 15289 1
156 . 1 1 22 22 PHE HZ H 1 6.683 0.003 . 1 . . . . 22 PHE HZ . 15289 1
157 . 1 1 22 22 PHE N N 15 118.236 0.1 . 1 . . . . 22 PHE N . 15289 1
158 . 1 1 23 23 HIS H H 1 8.451 0.002 . 1 . . . . 23 HIS H . 15289 1
159 . 1 1 23 23 HIS HA H 1 4.772 0.001 . 1 . . . . 23 HIS HA . 15289 1
160 . 1 1 23 23 HIS HB2 H 1 3.349 0.005 . 2 . . . . 23 HIS HB2 . 15289 1
161 . 1 1 23 23 HIS HB3 H 1 3.326 0.003 . 2 . . . . 23 HIS HB3 . 15289 1
162 . 1 1 23 23 HIS HD2 H 1 6.638 0.002 . 1 . . . . 23 HIS HD2 . 15289 1
163 . 1 1 23 23 HIS HE1 H 1 7.850 0.003 . 1 . . . . 23 HIS HE1 . 15289 1
164 . 1 1 23 23 HIS N N 15 124.071 0.1 . 1 . . . . 23 HIS N . 15289 1
165 . 1 1 24 24 LYS H H 1 8.818 0.001 . 1 . . . . 24 LYS H . 15289 1
166 . 1 1 24 24 LYS HA H 1 4.860 0.04 . 1 . . . . 24 LYS HA . 15289 1
167 . 1 1 24 24 LYS HB2 H 1 1.875 0.003 . 2 . . . . 24 LYS HB2 . 15289 1
168 . 1 1 24 24 LYS HB3 H 1 1.841 0.003 . 2 . . . . 24 LYS HB3 . 15289 1
169 . 1 1 24 24 LYS HD2 H 1 1.651 0.003 . 1 . . . . 24 LYS HD2 . 15289 1
170 . 1 1 24 24 LYS HD3 H 1 1.651 0.003 . 1 . . . . 24 LYS HD3 . 15289 1
171 . 1 1 24 24 LYS HE2 H 1 3.094 0.003 . 1 . . . . 24 LYS HE2 . 15289 1
172 . 1 1 24 24 LYS HE3 H 1 3.094 0.003 . 1 . . . . 24 LYS HE3 . 15289 1
173 . 1 1 24 24 LYS HG2 H 1 2.192 0.003 . 1 . . . . 24 LYS HG2 . 15289 1
174 . 1 1 24 24 LYS HG3 H 1 2.192 0.003 . 1 . . . . 24 LYS HG3 . 15289 1
175 . 1 1 24 24 LYS N N 15 124.791 0.1 . 1 . . . . 24 LYS N . 15289 1
176 . 1 1 25 25 PHE H H 1 8.368 0.002 . 1 . . . . 25 PHE H . 15289 1
177 . 1 1 25 25 PHE HA H 1 3.995 0.002 . 1 . . . . 25 PHE HA . 15289 1
178 . 1 1 25 25 PHE HB2 H 1 3.099 0.003 . 1 . . . . 25 PHE HB2 . 15289 1
179 . 1 1 25 25 PHE HB3 H 1 3.099 0.003 . 1 . . . . 25 PHE HB3 . 15289 1
180 . 1 1 25 25 PHE HD1 H 1 7.633 0.003 . 3 . . . . 25 PHE HD1 . 15289 1
181 . 1 1 25 25 PHE HD2 H 1 7.633 0.003 . 3 . . . . 25 PHE HD2 . 15289 1
182 . 1 1 25 25 PHE HE1 H 1 7.388 0.002 . 3 . . . . 25 PHE HE1 . 15289 1
183 . 1 1 25 25 PHE HE2 H 1 7.388 0.002 . 3 . . . . 25 PHE HE2 . 15289 1
184 . 1 1 25 25 PHE HZ H 1 7.361 0.003 . 1 . . . . 25 PHE HZ . 15289 1
185 . 1 1 25 25 PHE N N 15 118.965 0.1 . 1 . . . . 25 PHE N . 15289 1
186 . 1 1 26 26 PRO HA H 1 2.247 0.003 . 1 . . . . 26 PRO HA . 15289 1
187 . 1 1 26 26 PRO HB2 H 1 1.255 0.003 . 1 . . . . 26 PRO HB2 . 15289 1
188 . 1 1 26 26 PRO HB3 H 1 1.255 0.003 . 1 . . . . 26 PRO HB3 . 15289 1
189 . 1 1 26 26 PRO HG2 H 1 0.578 0.005 . 1 . . . . 26 PRO HG2 . 15289 1
190 . 1 1 26 26 PRO HG3 H 1 0.578 0.005 . 1 . . . . 26 PRO HG3 . 15289 1
191 . 1 1 27 27 LEU H H 1 8.007 0.04 . 1 . . . . 27 LEU H . 15289 1
192 . 1 1 27 27 LEU HA H 1 4.345 0.003 . 1 . . . . 27 LEU HA . 15289 1
193 . 1 1 27 27 LEU HB2 H 1 2.039 0.003 . 2 . . . . 27 LEU HB2 . 15289 1
194 . 1 1 27 27 LEU HB3 H 1 2.024 0.003 . 2 . . . . 27 LEU HB3 . 15289 1
195 . 1 1 27 27 LEU HD11 H 1 0.928 0.003 . 2 . . . . 27 LEU HD11 . 15289 1
196 . 1 1 27 27 LEU HD12 H 1 0.928 0.003 . 2 . . . . 27 LEU HD12 . 15289 1
197 . 1 1 27 27 LEU HD13 H 1 0.928 0.003 . 2 . . . . 27 LEU HD13 . 15289 1
198 . 1 1 27 27 LEU HD21 H 1 0.894 0.003 . 2 . . . . 27 LEU HD21 . 15289 1
199 . 1 1 27 27 LEU HD22 H 1 0.894 0.003 . 2 . . . . 27 LEU HD22 . 15289 1
200 . 1 1 27 27 LEU HD23 H 1 0.894 0.003 . 2 . . . . 27 LEU HD23 . 15289 1
201 . 1 1 27 27 LEU HG H 1 1.564 0.04 . 1 . . . . 27 LEU HG . 15289 1
202 . 1 1 27 27 LEU N N 15 122.663 0.1 . 1 . . . . 27 LEU N . 15289 1
203 . 1 1 28 28 THR H H 1 7.689 0.003 . 1 . . . . 28 THR H . 15289 1
204 . 1 1 28 28 THR HA H 1 4.295 0.003 . 1 . . . . 28 THR HA . 15289 1
205 . 1 1 28 28 THR HB H 1 4.564 0.003 . 1 . . . . 28 THR HB . 15289 1
206 . 1 1 28 28 THR HG21 H 1 1.206 0.007 . 1 . . . . 28 THR HG21 . 15289 1
207 . 1 1 28 28 THR HG22 H 1 1.206 0.007 . 1 . . . . 28 THR HG22 . 15289 1
208 . 1 1 28 28 THR HG23 H 1 1.206 0.007 . 1 . . . . 28 THR HG23 . 15289 1
209 . 1 1 28 28 THR N N 15 104.411 0.1 . 1 . . . . 28 THR N . 15289 1
210 . 1 1 29 29 ARG H H 1 7.718 0.04 . 1 . . . . 29 ARG H . 15289 1
211 . 1 1 29 29 ARG HA H 1 4.939 0.04 . 1 . . . . 29 ARG HA . 15289 1
212 . 1 1 29 29 ARG HB2 H 1 1.983 0.003 . 2 . . . . 29 ARG HB2 . 15289 1
213 . 1 1 29 29 ARG HB3 H 1 1.829 0.003 . 2 . . . . 29 ARG HB3 . 15289 1
214 . 1 1 29 29 ARG HD2 H 1 3.200 0.003 . 1 . . . . 29 ARG HD2 . 15289 1
215 . 1 1 29 29 ARG HD3 H 1 3.200 0.003 . 1 . . . . 29 ARG HD3 . 15289 1
216 . 1 1 29 29 ARG HG2 H 1 1.588 0.003 . 1 . . . . 29 ARG HG2 . 15289 1
217 . 1 1 29 29 ARG HG3 H 1 1.588 0.003 . 1 . . . . 29 ARG HG3 . 15289 1
218 . 1 1 29 29 ARG N N 15 123.031 0.1 . 1 . . . . 29 ARG N . 15289 1
219 . 1 1 29 29 ARG HH11 H 1 7.414 0.006 . 2 . . . . 29 ARG NH1 . 15289 1
220 . 1 1 30 30 PRO HA H 1 4.118 0.003 . 1 . . . . 30 PRO HA . 15289 1
221 . 1 1 30 30 PRO HB2 H 1 2.423 0.003 . 2 . . . . 30 PRO HB2 . 15289 1
222 . 1 1 30 30 PRO HB3 H 1 2.384 0.003 . 2 . . . . 30 PRO HB3 . 15289 1
223 . 1 1 30 30 PRO HD2 H 1 3.819 0.003 . 2 . . . . 30 PRO HD2 . 15289 1
224 . 1 1 30 30 PRO HD3 H 1 3.605 0.003 . 2 . . . . 30 PRO HD3 . 15289 1
225 . 1 1 30 30 PRO HG2 H 1 2.013 0.003 . 1 . . . . 30 PRO HG2 . 15289 1
226 . 1 1 30 30 PRO HG3 H 1 2.013 0.003 . 1 . . . . 30 PRO HG3 . 15289 1
227 . 1 1 31 31 SER H H 1 8.287 0.04 . 1 . . . . 31 SER H . 15289 1
228 . 1 1 31 31 SER HA H 1 4.228 0.003 . 1 . . . . 31 SER HA . 15289 1
229 . 1 1 31 31 SER HB2 H 1 3.963 0.003 . 1 . . . . 31 SER HB2 . 15289 1
230 . 1 1 31 31 SER HB3 H 1 3.963 0.003 . 1 . . . . 31 SER HB3 . 15289 1
231 . 1 1 31 31 SER N N 15 113.706 0.1 . 1 . . . . 31 SER N . 15289 1
232 . 1 1 32 32 LEU H H 1 7.265 0.002 . 1 . . . . 32 LEU H . 15289 1
233 . 1 1 32 32 LEU HA H 1 4.459 0.003 . 1 . . . . 32 LEU HA . 15289 1
234 . 1 1 32 32 LEU HB2 H 1 1.800 0.003 . 2 . . . . 32 LEU HB2 . 15289 1
235 . 1 1 32 32 LEU HB3 H 1 1.634 0.003 . 2 . . . . 32 LEU HB3 . 15289 1
236 . 1 1 32 32 LEU HD11 H 1 1.078 0.003 . 2 . . . . 32 LEU HD11 . 15289 1
237 . 1 1 32 32 LEU HD12 H 1 1.078 0.003 . 2 . . . . 32 LEU HD12 . 15289 1
238 . 1 1 32 32 LEU HD13 H 1 1.078 0.003 . 2 . . . . 32 LEU HD13 . 15289 1
239 . 1 1 32 32 LEU HD21 H 1 1.053 0.004 . 2 . . . . 32 LEU HD21 . 15289 1
240 . 1 1 32 32 LEU HD22 H 1 1.053 0.004 . 2 . . . . 32 LEU HD22 . 15289 1
241 . 1 1 32 32 LEU HD23 H 1 1.053 0.004 . 2 . . . . 32 LEU HD23 . 15289 1
242 . 1 1 32 32 LEU HG H 1 1.573 0.003 . 1 . . . . 32 LEU HG . 15289 1
243 . 1 1 32 32 LEU N N 15 124.957 0.1 . 1 . . . . 32 LEU N . 15289 1
244 . 1 1 33 33 CYS H H 1 8.963 0.002 . 1 . . . . 33 CYS H . 15289 1
245 . 1 1 33 33 CYS HA H 1 3.686 0.005 . 1 . . . . 33 CYS HA . 15289 1
246 . 1 1 33 33 CYS HB2 H 1 3.139 0.002 . 2 . . . . 33 CYS HB2 . 15289 1
247 . 1 1 33 33 CYS HB3 H 1 2.847 0.005 . 2 . . . . 33 CYS HB3 . 15289 1
248 . 1 1 33 33 CYS N N 15 120.416 0.1 . 1 . . . . 33 CYS N . 15289 1
249 . 1 1 34 34 LYS H H 1 8.166 0.002 . 1 . . . . 34 LYS H . 15289 1
250 . 1 1 34 34 LYS HA H 1 4.186 0.003 . 1 . . . . 34 LYS HA . 15289 1
251 . 1 1 34 34 LYS HB2 H 1 2.051 0.003 . 2 . . . . 34 LYS HB2 . 15289 1
252 . 1 1 34 34 LYS HB3 H 1 1.993 0.003 . 2 . . . . 34 LYS HB3 . 15289 1
253 . 1 1 34 34 LYS HD2 H 1 1.741 0.003 . 1 . . . . 34 LYS HD2 . 15289 1
254 . 1 1 34 34 LYS HD3 H 1 1.741 0.003 . 1 . . . . 34 LYS HD3 . 15289 1
255 . 1 1 34 34 LYS HE2 H 1 3.029 0.004 . 1 . . . . 34 LYS HE2 . 15289 1
256 . 1 1 34 34 LYS HE3 H 1 3.029 0.004 . 1 . . . . 34 LYS HE3 . 15289 1
257 . 1 1 34 34 LYS HG2 H 1 1.588 0.003 . 1 . . . . 34 LYS HG2 . 15289 1
258 . 1 1 34 34 LYS HG3 H 1 1.588 0.003 . 1 . . . . 34 LYS HG3 . 15289 1
259 . 1 1 34 34 LYS N N 15 117.734 0.1 . 1 . . . . 34 LYS N . 15289 1
260 . 1 1 35 35 GLU H H 1 7.582 0.002 . 1 . . . . 35 GLU H . 15289 1
261 . 1 1 35 35 GLU HA H 1 4.360 0.003 . 1 . . . . 35 GLU HA . 15289 1
262 . 1 1 35 35 GLU HB2 H 1 2.601 0.004 . 1 . . . . 35 GLU HB2 . 15289 1
263 . 1 1 35 35 GLU HB3 H 1 2.601 0.003 . 1 . . . . 35 GLU HB3 . 15289 1
264 . 1 1 35 35 GLU HG2 H 1 2.397 0.004 . 2 . . . . 35 GLU HG2 . 15289 1
265 . 1 1 35 35 GLU HG3 H 1 2.371 0.004 . 2 . . . . 35 GLU HG3 . 15289 1
266 . 1 1 35 35 GLU N N 15 119.486 0.1 . 1 . . . . 35 GLU N . 15289 1
267 . 1 1 36 36 TRP H H 1 8.518 0.002 . 1 . . . . 36 TRP H . 15289 1
268 . 1 1 36 36 TRP HA H 1 4.109 0.002 . 1 . . . . 36 TRP HA . 15289 1
269 . 1 1 36 36 TRP HB2 H 1 3.100 0.004 . 2 . . . . 36 TRP HB2 . 15289 1
270 . 1 1 36 36 TRP HB3 H 1 3.692 0.002 . 2 . . . . 36 TRP HB3 . 15289 1
271 . 1 1 36 36 TRP HE1 H 1 10.488 0.003 . 1 . . . . 36 TRP HE1 . 15289 1
272 . 1 1 36 36 TRP HE3 H 1 7.442 0.003 . 1 . . . . 36 TRP HE3 . 15289 1
273 . 1 1 36 36 TRP HH2 H 1 6.773 0.003 . 1 . . . . 36 TRP HH2 . 15289 1
274 . 1 1 36 36 TRP HZ2 H 1 6.970 0.003 . 1 . . . . 36 TRP HZ2 . 15289 1
275 . 1 1 36 36 TRP HZ3 H 1 5.969 0.003 . 1 . . . . 36 TRP HZ3 . 15289 1
276 . 1 1 36 36 TRP N N 15 122.175 0.1 . 1 . . . . 36 TRP N . 15289 1
277 . 1 1 36 36 TRP NE1 N 15 128.660 0.1 . 1 . . . . 36 TRP NE1 . 15289 1
278 . 1 1 37 37 GLU H H 1 9.122 0.003 . 1 . . . . 37 GLU H . 15289 1
279 . 1 1 37 37 GLU HA H 1 4.119 0.004 . 1 . . . . 37 GLU HA . 15289 1
280 . 1 1 37 37 GLU HB2 H 1 2.382 0.003 . 2 . . . . 37 GLU HB2 . 15289 1
281 . 1 1 37 37 GLU HB3 H 1 2.234 0.003 . 2 . . . . 37 GLU HB3 . 15289 1
282 . 1 1 37 37 GLU HG2 H 1 2.881 0.003 . 1 . . . . 37 GLU HG2 . 15289 1
283 . 1 1 37 37 GLU HG3 H 1 2.881 0.003 . 1 . . . . 37 GLU HG3 . 15289 1
284 . 1 1 37 37 GLU N N 15 118.177 0.1 . 1 . . . . 37 GLU N . 15289 1
285 . 1 1 38 38 ALA H H 1 8.086 0.002 . 1 . . . . 38 ALA H . 15289 1
286 . 1 1 38 38 ALA HA H 1 4.189 0.002 . 1 . . . . 38 ALA HA . 15289 1
287 . 1 1 38 38 ALA HB1 H 1 1.553 0.002 . 1 . . . . 38 ALA HB1 . 15289 1
288 . 1 1 38 38 ALA HB2 H 1 1.553 0.002 . 1 . . . . 38 ALA HB2 . 15289 1
289 . 1 1 38 38 ALA HB3 H 1 1.553 0.002 . 1 . . . . 38 ALA HB3 . 15289 1
290 . 1 1 38 38 ALA N N 15 121.679 0.1 . 1 . . . . 38 ALA N . 15289 1
291 . 1 1 39 39 ALA H H 1 7.484 0.003 . 1 . . . . 39 ALA H . 15289 1
292 . 1 1 39 39 ALA HA H 1 3.789 0.04 . 1 . . . . 39 ALA HA . 15289 1
293 . 1 1 39 39 ALA HB1 H 1 1.362 0.003 . 1 . . . . 39 ALA HB1 . 15289 1
294 . 1 1 39 39 ALA HB2 H 1 1.362 0.003 . 1 . . . . 39 ALA HB2 . 15289 1
295 . 1 1 39 39 ALA HB3 H 1 1.362 0.003 . 1 . . . . 39 ALA HB3 . 15289 1
296 . 1 1 39 39 ALA N N 15 119.281 0.1 . 1 . . . . 39 ALA N . 15289 1
297 . 1 1 40 40 VAL H H 1 7.341 0.002 . 1 . . . . 40 VAL H . 15289 1
298 . 1 1 40 40 VAL HA H 1 3.301 0.001 . 1 . . . . 40 VAL HA . 15289 1
299 . 1 1 40 40 VAL HB H 1 2.124 0.004 . 1 . . . . 40 VAL HB . 15289 1
300 . 1 1 40 40 VAL HG11 H 1 0.829 0.003 . 2 . . . . 40 VAL HG11 . 15289 1
301 . 1 1 40 40 VAL HG12 H 1 0.829 0.003 . 2 . . . . 40 VAL HG12 . 15289 1
302 . 1 1 40 40 VAL HG13 H 1 0.829 0.003 . 2 . . . . 40 VAL HG13 . 15289 1
303 . 1 1 40 40 VAL HG21 H 1 0.624 0.003 . 2 . . . . 40 VAL HG21 . 15289 1
304 . 1 1 40 40 VAL HG22 H 1 0.624 0.003 . 2 . . . . 40 VAL HG22 . 15289 1
305 . 1 1 40 40 VAL HG23 H 1 0.624 0.003 . 2 . . . . 40 VAL HG23 . 15289 1
306 . 1 1 40 40 VAL N N 15 113.721 0.1 . 1 . . . . 40 VAL N . 15289 1
307 . 1 1 41 41 ARG H H 1 7.331 0.002 . 1 . . . . 41 ARG H . 15289 1
308 . 1 1 41 41 ARG HA H 1 3.774 0.003 . 1 . . . . 41 ARG HA . 15289 1
309 . 1 1 41 41 ARG HB2 H 1 1.460 0.003 . 2 . . . . 41 ARG HB2 . 15289 1
310 . 1 1 41 41 ARG HB3 H 1 1.443 0.003 . 2 . . . . 41 ARG HB3 . 15289 1
311 . 1 1 41 41 ARG HD2 H 1 3.290 0.04 . 1 . . . . 41 ARG HD2 . 15289 1
312 . 1 1 41 41 ARG HD3 H 1 3.290 0.04 . 1 . . . . 41 ARG HD3 . 15289 1
313 . 1 1 41 41 ARG HG2 H 1 1.692 0.003 . 1 . . . . 41 ARG HG2 . 15289 1
314 . 1 1 41 41 ARG HG3 H 1 1.692 0.003 . 1 . . . . 41 ARG HG3 . 15289 1
315 . 1 1 41 41 ARG N N 15 115.004 0.1 . 1 . . . . 41 ARG N . 15289 1
316 . 1 1 42 42 ARG H H 1 8.246 0.002 . 1 . . . . 42 ARG H . 15289 1
317 . 1 1 42 42 ARG HA H 1 4.555 0.04 . 1 . . . . 42 ARG HA . 15289 1
318 . 1 1 42 42 ARG HB2 H 1 1.630 0.003 . 2 . . . . 42 ARG HB2 . 15289 1
319 . 1 1 42 42 ARG HB3 H 1 1.570 0.003 . 2 . . . . 42 ARG HB3 . 15289 1
320 . 1 1 42 42 ARG HD2 H 1 2.880 0.04 . 1 . . . . 42 ARG HD2 . 15289 1
321 . 1 1 42 42 ARG HD3 H 1 2.880 0.04 . 1 . . . . 42 ARG HD3 . 15289 1
322 . 1 1 42 42 ARG HG2 H 1 1.429 0.002 . 1 . . . . 42 ARG HG2 . 15289 1
323 . 1 1 42 42 ARG HG3 H 1 1.429 0.002 . 1 . . . . 42 ARG HG3 . 15289 1
324 . 1 1 42 42 ARG N N 15 118.478 0.1 . 1 . . . . 42 ARG N . 15289 1
325 . 1 1 43 43 LYS H H 1 8.585 0.04 . 1 . . . . 43 LYS H . 15289 1
326 . 1 1 43 43 LYS HA H 1 4.136 0.003 . 1 . . . . 43 LYS HA . 15289 1
327 . 1 1 43 43 LYS HB2 H 1 1.812 0.007 . 1 . . . . 43 LYS HB2 . 15289 1
328 . 1 1 43 43 LYS HB3 H 1 1.812 0.007 . 1 . . . . 43 LYS HB3 . 15289 1
329 . 1 1 43 43 LYS HD2 H 1 1.637 0.003 . 1 . . . . 43 LYS HD2 . 15289 1
330 . 1 1 43 43 LYS HD3 H 1 1.637 0.003 . 1 . . . . 43 LYS HD3 . 15289 1
331 . 1 1 43 43 LYS HE2 H 1 2.872 0.003 . 1 . . . . 43 LYS HE2 . 15289 1
332 . 1 1 43 43 LYS HE3 H 1 2.872 0.003 . 1 . . . . 43 LYS HE3 . 15289 1
333 . 1 1 43 43 LYS HG2 H 1 1.082 0.04 . 1 . . . . 43 LYS HG2 . 15289 1
334 . 1 1 43 43 LYS HG3 H 1 1.082 0.04 . 1 . . . . 43 LYS HG3 . 15289 1
335 . 1 1 43 43 LYS N N 15 125.008 0.1 . 1 . . . . 43 LYS N . 15289 1
336 . 1 1 44 44 ASN H H 1 9.009 0.04 . 1 . . . . 44 ASN H . 15289 1
337 . 1 1 44 44 ASN HA H 1 4.457 0.003 . 1 . . . . 44 ASN HA . 15289 1
338 . 1 1 44 44 ASN HB2 H 1 2.916 0.002 . 2 . . . . 44 ASN HB2 . 15289 1
339 . 1 1 44 44 ASN HB3 H 1 2.975 0.002 . 2 . . . . 44 ASN HB3 . 15289 1
340 . 1 1 44 44 ASN HD21 H 1 7.648 0.004 . 1 . . . . 44 ASN HD21 . 15289 1
341 . 1 1 44 44 ASN HD22 H 1 6.971 0.003 . 1 . . . . 44 ASN HD22 . 15289 1
342 . 1 1 44 44 ASN ND2 N 15 113.362 0.1 . 1 . . . . 44 ASN ND2 . 15289 1
343 . 1 1 45 45 PHE H H 1 7.844 0.002 . 1 . . . . 45 PHE H . 15289 1
344 . 1 1 45 45 PHE HA H 1 4.562 0.006 . 1 . . . . 45 PHE HA . 15289 1
345 . 1 1 45 45 PHE HB2 H 1 2.978 0.004 . 2 . . . . 45 PHE HB2 . 15289 1
346 . 1 1 45 45 PHE HB3 H 1 2.867 0.003 . 2 . . . . 45 PHE HB3 . 15289 1
347 . 1 1 45 45 PHE HD1 H 1 7.162 0.003 . 3 . . . . 45 PHE HD1 . 15289 1
348 . 1 1 45 45 PHE HD2 H 1 7.162 0.003 . 3 . . . . 45 PHE HD2 . 15289 1
349 . 1 1 45 45 PHE HE1 H 1 7.222 0.003 . 3 . . . . 45 PHE HE1 . 15289 1
350 . 1 1 45 45 PHE HE2 H 1 7.222 0.003 . 3 . . . . 45 PHE HE2 . 15289 1
351 . 1 1 45 45 PHE HZ H 1 6.888 0.002 . 1 . . . . 45 PHE HZ . 15289 1
352 . 1 1 45 45 PHE N N 15 119.957 0.1 . 1 . . . . 45 PHE N . 15289 1
353 . 1 1 46 46 LYS H H 1 7.524 0.002 . 1 . . . . 46 LYS H . 15289 1
354 . 1 1 46 46 LYS HA H 1 4.329 0.006 . 1 . . . . 46 LYS HA . 15289 1
355 . 1 1 46 46 LYS HB2 H 1 1.504 0.003 . 2 . . . . 46 LYS HB2 . 15289 1
356 . 1 1 46 46 LYS HB3 H 1 1.433 0.003 . 2 . . . . 46 LYS HB3 . 15289 1
357 . 1 1 46 46 LYS HD2 H 1 1.256 0.002 . 1 . . . . 46 LYS HD2 . 15289 1
358 . 1 1 46 46 LYS HD3 H 1 1.256 0.002 . 1 . . . . 46 LYS HD3 . 15289 1
359 . 1 1 46 46 LYS HE2 H 1 2.910 0.002 . 1 . . . . 46 LYS HE2 . 15289 1
360 . 1 1 46 46 LYS HE3 H 1 2.910 0.002 . 1 . . . . 46 LYS HE3 . 15289 1
361 . 1 1 46 46 LYS HG2 H 1 1.183 0.002 . 1 . . . . 46 LYS HG2 . 15289 1
362 . 1 1 46 46 LYS HG3 H 1 1.183 0.002 . 1 . . . . 46 LYS HG3 . 15289 1
363 . 1 1 46 46 LYS N N 15 129.230 0.1 . 1 . . . . 46 LYS N . 15289 1
364 . 1 1 47 47 PRO HA H 1 3.864 0.004 . 1 . . . . 47 PRO HA . 15289 1
365 . 1 1 47 47 PRO HB2 H 1 1.624 0.003 . 2 . . . . 47 PRO HB2 . 15289 1
366 . 1 1 47 47 PRO HB3 H 1 1.378 0.003 . 2 . . . . 47 PRO HB3 . 15289 1
367 . 1 1 47 47 PRO HD2 H 1 3.435 0.003 . 2 . . . . 47 PRO HD2 . 15289 1
368 . 1 1 47 47 PRO HD3 H 1 2.913 0.004 . 2 . . . . 47 PRO HD3 . 15289 1
369 . 1 1 47 47 PRO HG2 H 1 0.867 0.04 . 1 . . . . 47 PRO HG2 . 15289 1
370 . 1 1 47 47 PRO HG3 H 1 0.867 0.04 . 1 . . . . 47 PRO HG3 . 15289 1
371 . 1 1 48 48 THR H H 1 8.565 0.002 . 1 . . . . 48 THR H . 15289 1
372 . 1 1 48 48 THR HA H 1 4.584 0.002 . 1 . . . . 48 THR HA . 15289 1
373 . 1 1 48 48 THR HB H 1 4.608 0.04 . 1 . . . . 48 THR HB . 15289 1
374 . 1 1 48 48 THR HG21 H 1 1.198 0.003 . 1 . . . . 48 THR HG21 . 15289 1
375 . 1 1 48 48 THR HG22 H 1 1.198 0.003 . 1 . . . . 48 THR HG22 . 15289 1
376 . 1 1 48 48 THR HG23 H 1 1.198 0.003 . 1 . . . . 48 THR HG23 . 15289 1
377 . 1 1 48 48 THR N N 15 111.141 0.1 . 1 . . . . 48 THR N . 15289 1
378 . 1 1 49 49 LYS H H 1 8.066 0.04 . 1 . . . . 49 LYS H . 15289 1
379 . 1 1 49 49 LYS HA H 1 4.129 0.003 . 1 . . . . 49 LYS HA . 15289 1
380 . 1 1 49 49 LYS HB2 H 1 1.662 0.003 . 2 . . . . 49 LYS HB2 . 15289 1
381 . 1 1 49 49 LYS HB3 H 1 1.520 0.003 . 2 . . . . 49 LYS HB3 . 15289 1
382 . 1 1 49 49 LYS HD2 H 1 1.028 0.003 . 1 . . . . 49 LYS HD2 . 15289 1
383 . 1 1 49 49 LYS HD3 H 1 1.028 0.003 . 1 . . . . 49 LYS HD3 . 15289 1
384 . 1 1 49 49 LYS HE2 H 1 2.806 0.002 . 2 . . . . 49 LYS HE2 . 15289 1
385 . 1 1 49 49 LYS HE3 H 1 2.806 0.002 . 2 . . . . 49 LYS HE3 . 15289 1
386 . 1 1 49 49 LYS HG2 H 1 0.564 0.003 . 1 . . . . 49 LYS HG2 . 15289 1
387 . 1 1 49 49 LYS HG3 H 1 0.564 0.004 . 1 . . . . 49 LYS HG3 . 15289 1
388 . 1 1 50 50 TYR H H 1 8.088 0.002 . 1 . . . . 50 TYR H . 15289 1
389 . 1 1 50 50 TYR HA H 1 4.643 0.008 . 1 . . . . 50 TYR HA . 15289 1
390 . 1 1 50 50 TYR HB2 H 1 3.366 0.005 . 2 . . . . 50 TYR HB2 . 15289 1
391 . 1 1 50 50 TYR HB3 H 1 2.670 0.003 . 2 . . . . 50 TYR HB3 . 15289 1
392 . 1 1 50 50 TYR HD1 H 1 7.172 0.002 . 3 . . . . 50 TYR HD1 . 15289 1
393 . 1 1 50 50 TYR HD2 H 1 7.172 0.002 . 3 . . . . 50 TYR HD2 . 15289 1
394 . 1 1 50 50 TYR HE1 H 1 6.867 0.002 . 3 . . . . 50 TYR HE1 . 15289 1
395 . 1 1 50 50 TYR HE2 H 1 6.867 0.002 . 3 . . . . 50 TYR HE2 . 15289 1
396 . 1 1 50 50 TYR N N 15 116.696 0.1 . 1 . . . . 50 TYR N . 15289 1
397 . 1 1 51 51 SER H H 1 7.648 0.003 . 1 . . . . 51 SER H . 15289 1
398 . 1 1 51 51 SER HA H 1 4.751 0.04 . 1 . . . . 51 SER HA . 15289 1
399 . 1 1 51 51 SER HB2 H 1 3.953 0.003 . 1 . . . . 51 SER HB2 . 15289 1
400 . 1 1 51 51 SER HB3 H 1 3.953 0.003 . 1 . . . . 51 SER HB3 . 15289 1
401 . 1 1 51 51 SER N N 15 117.919 0.1 . 1 . . . . 51 SER N . 15289 1
402 . 1 1 52 52 SER H H 1 9.583 0.002 . 1 . . . . 52 SER H . 15289 1
403 . 1 1 52 52 SER HA H 1 5.832 0.003 . 1 . . . . 52 SER HA . 15289 1
404 . 1 1 52 52 SER HB2 H 1 3.969 0.002 . 2 . . . . 52 SER HB2 . 15289 1
405 . 1 1 52 52 SER HB3 H 1 3.950 0.002 . 2 . . . . 52 SER HB3 . 15289 1
406 . 1 1 52 52 SER N N 15 118.960 0.1 . 1 . . . . 52 SER N . 15289 1
407 . 1 1 53 53 ILE H H 1 9.552 0.002 . 1 . . . . 53 ILE H . 15289 1
408 . 1 1 53 53 ILE HA H 1 5.451 0.003 . 1 . . . . 53 ILE HA . 15289 1
409 . 1 1 53 53 ILE HB H 1 1.872 0.003 . 1 . . . . 53 ILE HB . 15289 1
410 . 1 1 53 53 ILE HD11 H 1 0.626 0.003 . 1 . . . . 53 ILE HD11 . 15289 1
411 . 1 1 53 53 ILE HD12 H 1 0.626 0.003 . 1 . . . . 53 ILE HD12 . 15289 1
412 . 1 1 53 53 ILE HD13 H 1 0.626 0.003 . 1 . . . . 53 ILE HD13 . 15289 1
413 . 1 1 53 53 ILE HG12 H 1 1.366 0.002 . 2 . . . . 53 ILE HG12 . 15289 1
414 . 1 1 53 53 ILE HG13 H 1 1.333 0.002 . 2 . . . . 53 ILE HG13 . 15289 1
415 . 1 1 53 53 ILE HG21 H 1 0.899 0.003 . 1 . . . . 53 ILE HG21 . 15289 1
416 . 1 1 53 53 ILE HG22 H 1 0.899 0.003 . 1 . . . . 53 ILE HG22 . 15289 1
417 . 1 1 53 53 ILE HG23 H 1 0.899 0.003 . 1 . . . . 53 ILE HG23 . 15289 1
418 . 1 1 53 53 ILE N N 15 122.764 0.1 . 1 . . . . 53 ILE N . 15289 1
419 . 1 1 54 54 CYS H H 1 10.477 0.004 . 1 . . . . 54 CYS H . 15289 1
420 . 1 1 54 54 CYS HA H 1 5.321 0.003 . 1 . . . . 54 CYS HA . 15289 1
421 . 1 1 54 54 CYS HB2 H 1 2.418 0.003 . 2 . . . . 54 CYS HB2 . 15289 1
422 . 1 1 54 54 CYS HB3 H 1 2.578 0.003 . 2 . . . . 54 CYS HB3 . 15289 1
423 . 1 1 54 54 CYS N N 15 132.834 0.1 . 1 . . . . 54 CYS N . 15289 1
424 . 1 1 55 55 SER H H 1 8.753 0.005 . 1 . . . . 55 SER H . 15289 1
425 . 1 1 55 55 SER HA H 1 4.276 0.001 . 1 . . . . 55 SER HA . 15289 1
426 . 1 1 55 55 SER HB2 H 1 4.149 0.002 . 1 . . . . 55 SER HB2 . 15289 1
427 . 1 1 55 55 SER HB3 H 1 4.149 0.002 . 1 . . . . 55 SER HB3 . 15289 1
428 . 1 1 55 55 SER N N 15 110.817 0.1 . 1 . . . . 55 SER N . 15289 1
429 . 1 1 56 56 GLU H H 1 8.332 0.003 . 1 . . . . 56 GLU H . 15289 1
430 . 1 1 56 56 GLU HA H 1 4.079 0.003 . 1 . . . . 56 GLU HA . 15289 1
431 . 1 1 56 56 GLU HB2 H 1 1.712 0.004 . 2 . . . . 56 GLU HB2 . 15289 1
432 . 1 1 56 56 GLU HB3 H 1 1.328 0.003 . 2 . . . . 56 GLU HB3 . 15289 1
433 . 1 1 56 56 GLU HG2 H 1 2.202 0.003 . 2 . . . . 56 GLU HG2 . 15289 1
434 . 1 1 56 56 GLU HG3 H 1 2.075 0.003 . 2 . . . . 56 GLU HG3 . 15289 1
435 . 1 1 56 56 GLU N N 15 121.592 0.1 . 1 . . . . 56 GLU N . 15289 1
436 . 1 1 57 57 HIS H H 1 6.828 0.003 . 1 . . . . 57 HIS H . 15289 1
437 . 1 1 57 57 HIS HA H 1 4.943 0.04 . 1 . . . . 57 HIS HA . 15289 1
438 . 1 1 57 57 HIS HB2 H 1 1.899 0.002 . 2 . . . . 57 HIS HB2 . 15289 1
439 . 1 1 57 57 HIS HB3 H 1 1.877 0.003 . 2 . . . . 57 HIS HB3 . 15289 1
440 . 1 1 57 57 HIS HD1 H 1 11.318 0.003 . 1 . . . . 57 HIS HD1 . 15289 1
441 . 1 1 57 57 HIS HD2 H 1 7.734 0.002 . 1 . . . . 57 HIS HD2 . 15289 1
442 . 1 1 57 57 HIS HE1 H 1 7.927 0.005 . 1 . . . . 57 HIS HE1 . 15289 1
443 . 1 1 57 57 HIS N N 15 113.034 0.1 . 1 . . . . 57 HIS N . 15289 1
444 . 1 1 57 57 HIS ND1 N 15 142.974 0.1 . 1 . . . . 57 HIS ND1 . 15289 1
445 . 1 1 58 58 PHE H H 1 7.407 0.003 . 1 . . . . 58 PHE H . 15289 1
446 . 1 1 58 58 PHE HA H 1 5.118 0.002 . 1 . . . . 58 PHE HA . 15289 1
447 . 1 1 58 58 PHE HB2 H 1 2.803 0.004 . 2 . . . . 58 PHE HB2 . 15289 1
448 . 1 1 58 58 PHE HB3 H 1 2.710 0.003 . 2 . . . . 58 PHE HB3 . 15289 1
449 . 1 1 58 58 PHE HD1 H 1 7.026 0.003 . 3 . . . . 58 PHE HD1 . 15289 1
450 . 1 1 58 58 PHE HD2 H 1 7.026 0.003 . 3 . . . . 58 PHE HD2 . 15289 1
451 . 1 1 58 58 PHE HE1 H 1 6.430 0.002 . 3 . . . . 58 PHE HE1 . 15289 1
452 . 1 1 58 58 PHE HE2 H 1 6.430 0.002 . 3 . . . . 58 PHE HE2 . 15289 1
453 . 1 1 58 58 PHE HZ H 1 6.013 0.003 . 1 . . . . 58 PHE HZ . 15289 1
454 . 1 1 58 58 PHE N N 15 118.691 0.1 . 1 . . . . 58 PHE N . 15289 1
455 . 1 1 59 59 THR H H 1 8.472 0.001 . 1 . . . . 59 THR H . 15289 1
456 . 1 1 59 59 THR HA H 1 4.409 0.004 . 1 . . . . 59 THR HA . 15289 1
457 . 1 1 59 59 THR HB H 1 4.606 0.002 . 1 . . . . 59 THR HB . 15289 1
458 . 1 1 59 59 THR HG21 H 1 1.267 0.003 . 1 . . . . 59 THR HG21 . 15289 1
459 . 1 1 59 59 THR HG22 H 1 1.267 0.003 . 1 . . . . 59 THR HG22 . 15289 1
460 . 1 1 59 59 THR HG23 H 1 1.267 0.003 . 1 . . . . 59 THR HG23 . 15289 1
461 . 1 1 59 59 THR N N 15 114.755 0.1 . 1 . . . . 59 THR N . 15289 1
462 . 1 1 60 60 PRO HA H 1 4.463 0.002 . 1 . . . . 60 PRO HA . 15289 1
463 . 1 1 60 60 PRO HB2 H 1 2.467 0.003 . 2 . . . . 60 PRO HB2 . 15289 1
464 . 1 1 60 60 PRO HB3 H 1 2.060 0.003 . 2 . . . . 60 PRO HB3 . 15289 1
465 . 1 1 60 60 PRO HD2 H 1 3.876 0.003 . 2 . . . . 60 PRO HD2 . 15289 1
466 . 1 1 60 60 PRO HD3 H 1 3.836 0.005 . 2 . . . . 60 PRO HD3 . 15289 1
467 . 1 1 60 60 PRO HG2 H 1 2.195 0.003 . 1 . . . . 60 PRO HG2 . 15289 1
468 . 1 1 60 60 PRO HG3 H 1 2.195 0.004 . 1 . . . . 60 PRO HG3 . 15289 1
469 . 1 1 61 61 ASP H H 1 8.418 0.002 . 1 . . . . 61 ASP H . 15289 1
470 . 1 1 61 61 ASP HA H 1 4.588 0.04 . 1 . . . . 61 ASP HA . 15289 1
471 . 1 1 61 61 ASP HB2 H 1 2.772 0.003 . 2 . . . . 61 ASP HB2 . 15289 1
472 . 1 1 61 61 ASP HB3 H 1 2.690 0.003 . 2 . . . . 61 ASP HB3 . 15289 1
473 . 1 1 61 61 ASP N N 15 113.722 0.1 . 1 . . . . 61 ASP N . 15289 1
474 . 1 1 62 62 CYS H H 1 8.030 0.002 . 1 . . . . 62 CYS H . 15289 1
475 . 1 1 62 62 CYS HA H 1 4.147 0.04 . 1 . . . . 62 CYS HA . 15289 1
476 . 1 1 62 62 CYS HB2 H 1 2.596 0.003 . 2 . . . . 62 CYS HB2 . 15289 1
477 . 1 1 62 62 CYS HB3 H 1 2.242 0.005 . 2 . . . . 62 CYS HB3 . 15289 1
478 . 1 1 62 62 CYS N N 15 116.105 0.1 . 1 . . . . 62 CYS N . 15289 1
479 . 1 1 63 63 PHE H H 1 7.288 0.002 . 1 . . . . 63 PHE H . 15289 1
480 . 1 1 63 63 PHE HA H 1 5.018 0.04 . 1 . . . . 63 PHE HA . 15289 1
481 . 1 1 63 63 PHE HB2 H 1 2.831 0.003 . 2 . . . . 63 PHE HB2 . 15289 1
482 . 1 1 63 63 PHE HB3 H 1 2.777 0.003 . 2 . . . . 63 PHE HB3 . 15289 1
483 . 1 1 63 63 PHE HD1 H 1 6.912 0.003 . 3 . . . . 63 PHE HD1 . 15289 1
484 . 1 1 63 63 PHE HD2 H 1 6.912 0.003 . 3 . . . . 63 PHE HD2 . 15289 1
485 . 1 1 63 63 PHE HE1 H 1 6.769 0.003 . 3 . . . . 63 PHE HE1 . 15289 1
486 . 1 1 63 63 PHE HE2 H 1 6.769 0.003 . 3 . . . . 63 PHE HE2 . 15289 1
487 . 1 1 63 63 PHE HZ H 1 6.968 0.003 . 1 . . . . 63 PHE HZ . 15289 1
488 . 1 1 63 63 PHE N N 15 115.822 0.1 . 1 . . . . 63 PHE N . 15289 1
489 . 1 1 64 64 LYS H H 1 8.564 0.04 . 1 . . . . 64 LYS H . 15289 1
490 . 1 1 64 64 LYS HA H 1 4.137 0.003 . 1 . . . . 64 LYS HA . 15289 1
491 . 1 1 64 64 LYS HB2 H 1 1.792 0.003 . 1 . . . . 64 LYS HB2 . 15289 1
492 . 1 1 64 64 LYS HB3 H 1 1.792 0.003 . 1 . . . . 64 LYS HB3 . 15289 1
493 . 1 1 64 64 LYS HD2 H 1 1.769 0.003 . 1 . . . . 64 LYS HD2 . 15289 1
494 . 1 1 64 64 LYS HD3 H 1 1.769 0.003 . 1 . . . . 64 LYS HD3 . 15289 1
495 . 1 1 64 64 LYS HE2 H 1 2.989 0.004 . 1 . . . . 64 LYS HE2 . 15289 1
496 . 1 1 64 64 LYS HE3 H 1 2.989 0.004 . 1 . . . . 64 LYS HE3 . 15289 1
497 . 1 1 64 64 LYS HG2 H 1 1.687 0.003 . 1 . . . . 64 LYS HG2 . 15289 1
498 . 1 1 64 64 LYS HG3 H 1 1.687 0.003 . 1 . . . . 64 LYS HG3 . 15289 1
499 . 1 1 64 64 LYS N N 15 124.140 0.1 . 1 . . . . 64 LYS N . 15289 1
500 . 1 1 65 65 ARG H H 1 7.970 0.04 . 1 . . . . 65 ARG H . 15289 1
501 . 1 1 65 65 ARG HA H 1 4.149 0.006 . 1 . . . . 65 ARG HA . 15289 1
502 . 1 1 65 65 ARG HB2 H 1 1.828 0.003 . 2 . . . . 65 ARG HB2 . 15289 1
503 . 1 1 65 65 ARG HB3 H 1 1.703 0.003 . 2 . . . . 65 ARG HB3 . 15289 1
504 . 1 1 65 65 ARG HD2 H 1 3.174 0.003 . 1 . . . . 65 ARG HD2 . 15289 1
505 . 1 1 65 65 ARG HD3 H 1 3.174 0.003 . 1 . . . . 65 ARG HD3 . 15289 1
506 . 1 1 65 65 ARG HG2 H 1 1.623 0.003 . 1 . . . . 65 ARG HG2 . 15289 1
507 . 1 1 65 65 ARG HG3 H 1 1.623 0.003 . 1 . . . . 65 ARG HG3 . 15289 1
508 . 1 1 65 65 ARG N N 15 127.071 0.1 . 1 . . . . 65 ARG N . 15289 1
509 . 1 1 67 67 CYS H H 1 7.886 0.003 . 1 . . . . 67 CYS H . 15289 1
510 . 1 1 67 67 CYS HA H 1 4.185 0.004 . 1 . . . . 67 CYS HA . 15289 1
511 . 1 1 67 67 CYS HB2 H 1 1.551 0.04 . 1 . . . . 67 CYS HB2 . 15289 1
512 . 1 1 67 67 CYS HB3 H 1 1.551 0.04 . 1 . . . . 67 CYS HB3 . 15289 1
513 . 1 1 67 67 CYS N N 15 121.611 0.1 . 1 . . . . 67 CYS N . 15289 1
514 . 1 1 68 68 ASN H H 1 7.428 0.002 . 1 . . . . 68 ASN H . 15289 1
515 . 1 1 68 68 ASN HA H 1 3.657 0.003 . 1 . . . . 68 ASN HA . 15289 1
516 . 1 1 68 68 ASN HB2 H 1 1.304 0.04 . 1 . . . . 68 ASN HB2 . 15289 1
517 . 1 1 68 68 ASN HB3 H 1 1.304 0.04 . 1 . . . . 68 ASN HB3 . 15289 1
518 . 1 1 68 68 ASN N N 15 118.450 0.1 . 1 . . . . 68 ASN N . 15289 1
519 . 1 1 69 69 ASN H H 1 7.820 0.04 . 1 . . . . 69 ASN H . 15289 1
520 . 1 1 69 69 ASN HA H 1 4.446 0.04 . 1 . . . . 69 ASN HA . 15289 1
521 . 1 1 69 69 ASN HB2 H 1 2.924 0.04 . 2 . . . . 69 ASN HB2 . 15289 1
522 . 1 1 69 69 ASN HB3 H 1 2.899 0.04 . 2 . . . . 69 ASN HB3 . 15289 1
523 . 1 1 69 69 ASN N N 15 117.775 0.1 . 1 . . . . 69 ASN N . 15289 1
524 . 1 1 70 70 LYS H H 1 7.455 0.04 . 1 . . . . 70 LYS H . 15289 1
525 . 1 1 70 70 LYS HA H 1 4.341 0.04 . 1 . . . . 70 LYS HA . 15289 1
526 . 1 1 70 70 LYS HB2 H 1 1.483 0.003 . 2 . . . . 70 LYS HB2 . 15289 1
527 . 1 1 70 70 LYS HB3 H 1 1.421 0.009 . 2 . . . . 70 LYS HB3 . 15289 1
528 . 1 1 70 70 LYS HD2 H 1 1.270 0.005 . 1 . . . . 70 LYS HD2 . 15289 1
529 . 1 1 70 70 LYS HD3 H 1 1.270 0.005 . 1 . . . . 70 LYS HD3 . 15289 1
530 . 1 1 70 70 LYS HE2 H 1 3.343 0.04 . 1 . . . . 70 LYS HE2 . 15289 1
531 . 1 1 70 70 LYS HE3 H 1 3.343 0.04 . 1 . . . . 70 LYS HE3 . 15289 1
532 . 1 1 70 70 LYS HG2 H 1 1.039 0.003 . 1 . . . . 70 LYS HG2 . 15289 1
533 . 1 1 70 70 LYS HG3 H 1 1.039 0.003 . 1 . . . . 70 LYS HG3 . 15289 1
534 . 1 1 70 70 LYS N N 15 128.996 0.1 . 1 . . . . 70 LYS N . 15289 1
535 . 1 1 71 71 LEU H H 1 8.480 0.002 . 1 . . . . 71 LEU H . 15289 1
536 . 1 1 71 71 LEU HA H 1 4.356 0.003 . 1 . . . . 71 LEU HA . 15289 1
537 . 1 1 71 71 LEU HB2 H 1 2.067 0.008 . 2 . . . . 71 LEU HB2 . 15289 1
538 . 1 1 71 71 LEU HB3 H 1 1.989 0.003 . 2 . . . . 71 LEU HB3 . 15289 1
539 . 1 1 71 71 LEU HD11 H 1 0.883 0.003 . 1 . . . . 71 LEU HD11 . 15289 1
540 . 1 1 71 71 LEU HD12 H 1 0.883 0.003 . 1 . . . . 71 LEU HD12 . 15289 1
541 . 1 1 71 71 LEU HD13 H 1 0.883 0.003 . 1 . . . . 71 LEU HD13 . 15289 1
542 . 1 1 71 71 LEU HD21 H 1 0.883 0.003 . 1 . . . . 71 LEU HD21 . 15289 1
543 . 1 1 71 71 LEU HD22 H 1 0.883 0.003 . 1 . . . . 71 LEU HD22 . 15289 1
544 . 1 1 71 71 LEU HD23 H 1 0.883 0.003 . 1 . . . . 71 LEU HD23 . 15289 1
545 . 1 1 71 71 LEU HG H 1 2.289 0.005 . 1 . . . . 71 LEU HG . 15289 1
546 . 1 1 71 71 LEU N N 15 121.057 0.1 . 1 . . . . 71 LEU N . 15289 1
547 . 1 1 72 72 LEU H H 1 8.246 0.002 . 1 . . . . 72 LEU H . 15289 1
548 . 1 1 72 72 LEU HA H 1 4.360 0.003 . 1 . . . . 72 LEU HA . 15289 1
549 . 1 1 72 72 LEU HB2 H 1 1.616 0.003 . 2 . . . . 72 LEU HB2 . 15289 1
550 . 1 1 72 72 LEU HB3 H 1 1.566 0.003 . 2 . . . . 72 LEU HB3 . 15289 1
551 . 1 1 72 72 LEU HD11 H 1 0.881 0.003 . 2 . . . . 72 LEU HD11 . 15289 1
552 . 1 1 72 72 LEU HD12 H 1 0.881 0.003 . 2 . . . . 72 LEU HD12 . 15289 1
553 . 1 1 72 72 LEU HD13 H 1 0.881 0.003 . 2 . . . . 72 LEU HD13 . 15289 1
554 . 1 1 72 72 LEU HD21 H 1 0.822 0.003 . 2 . . . . 72 LEU HD21 . 15289 1
555 . 1 1 72 72 LEU HD22 H 1 0.822 0.003 . 2 . . . . 72 LEU HD22 . 15289 1
556 . 1 1 72 72 LEU HD23 H 1 0.822 0.003 . 2 . . . . 72 LEU HD23 . 15289 1
557 . 1 1 72 72 LEU HG H 1 1.271 0.003 . 1 . . . . 72 LEU HG . 15289 1
558 . 1 1 72 72 LEU N N 15 123.412 0.1 . 1 . . . . 72 LEU N . 15289 1
559 . 1 1 73 73 LYS H H 1 8.572 0.002 . 1 . . . . 73 LYS H . 15289 1
560 . 1 1 73 73 LYS HA H 1 3.968 0.002 . 1 . . . . 73 LYS HA . 15289 1
561 . 1 1 73 73 LYS HB2 H 1 1.615 0.04 . 2 . . . . 73 LYS HB2 . 15289 1
562 . 1 1 73 73 LYS HB3 H 1 1.486 0.002 . 2 . . . . 73 LYS HB3 . 15289 1
563 . 1 1 73 73 LYS N N 15 124.683 0.1 . 1 . . . . 73 LYS N . 15289 1
564 . 1 1 74 74 GLU H H 1 8.870 0.002 . 1 . . . . 74 GLU H . 15289 1
565 . 1 1 74 74 GLU HA H 1 4.017 0.003 . 1 . . . . 74 GLU HA . 15289 1
566 . 1 1 74 74 GLU HB2 H 1 1.994 0.005 . 1 . . . . 74 GLU HB2 . 15289 1
567 . 1 1 74 74 GLU HB3 H 1 1.994 0.005 . 1 . . . . 74 GLU HB3 . 15289 1
568 . 1 1 74 74 GLU HG2 H 1 2.337 0.003 . 1 . . . . 74 GLU HG2 . 15289 1
569 . 1 1 74 74 GLU HG3 H 1 2.337 0.003 . 1 . . . . 74 GLU HG3 . 15289 1
570 . 1 1 74 74 GLU N N 15 120.546 0.1 . 1 . . . . 74 GLU N . 15289 1
571 . 1 1 75 75 ASN H H 1 8.120 0.002 . 1 . . . . 75 ASN H . 15289 1
572 . 1 1 75 75 ASN HA H 1 4.932 0.001 . 1 . . . . 75 ASN HA . 15289 1
573 . 1 1 75 75 ASN HB2 H 1 2.956 0.002 . 2 . . . . 75 ASN HB2 . 15289 1
574 . 1 1 75 75 ASN HB3 H 1 2.865 0.003 . 2 . . . . 75 ASN HB3 . 15289 1
575 . 1 1 75 75 ASN HD21 H 1 7.549 0.04 . 1 . . . . 75 ASN HD21 . 15289 1
576 . 1 1 75 75 ASN HD22 H 1 6.894 0.003 . 1 . . . . 75 ASN HD22 . 15289 1
577 . 1 1 75 75 ASN N N 15 114.370 0.1 . 1 . . . . 75 ASN N . 15289 1
578 . 1 1 75 75 ASN ND2 N 15 112.920 0.1 . 1 . . . . 75 ASN ND2 . 15289 1
579 . 1 1 76 76 ALA H H 1 7.230 0.003 . 1 . . . . 76 ALA H . 15289 1
580 . 1 1 76 76 ALA HA H 1 4.285 0.003 . 1 . . . . 76 ALA HA . 15289 1
581 . 1 1 76 76 ALA HB1 H 1 1.359 0.003 . 1 . . . . 76 ALA HB1 . 15289 1
582 . 1 1 76 76 ALA HB2 H 1 1.359 0.003 . 1 . . . . 76 ALA HB2 . 15289 1
583 . 1 1 76 76 ALA HB3 H 1 1.359 0.003 . 1 . . . . 76 ALA HB3 . 15289 1
584 . 1 1 76 76 ALA N N 15 121.900 0.1 . 1 . . . . 76 ALA N . 15289 1
585 . 1 1 77 77 VAL H H 1 7.934 0.002 . 1 . . . . 77 VAL H . 15289 1
586 . 1 1 77 77 VAL HA H 1 4.312 0.003 . 1 . . . . 77 VAL HA . 15289 1
587 . 1 1 77 77 VAL HB H 1 1.884 0.004 . 1 . . . . 77 VAL HB . 15289 1
588 . 1 1 77 77 VAL HG11 H 1 1.084 0.004 . 2 . . . . 77 VAL HG11 . 15289 1
589 . 1 1 77 77 VAL HG12 H 1 1.084 0.004 . 2 . . . . 77 VAL HG12 . 15289 1
590 . 1 1 77 77 VAL HG13 H 1 1.084 0.004 . 2 . . . . 77 VAL HG13 . 15289 1
591 . 1 1 77 77 VAL HG21 H 1 0.943 0.004 . 2 . . . . 77 VAL HG21 . 15289 1
592 . 1 1 77 77 VAL HG22 H 1 0.943 0.004 . 2 . . . . 77 VAL HG22 . 15289 1
593 . 1 1 77 77 VAL HG23 H 1 0.943 0.004 . 2 . . . . 77 VAL HG23 . 15289 1
594 . 1 1 77 77 VAL N N 15 119.613 0.1 . 1 . . . . 77 VAL N . 15289 1
595 . 1 1 78 78 PRO HA H 1 3.343 0.003 . 1 . . . . 78 PRO HA . 15289 1
596 . 1 1 78 78 PRO HB2 H 1 2.235 0.002 . 1 . . . . 78 PRO HB2 . 15289 1
597 . 1 1 78 78 PRO HB3 H 1 2.235 0.003 . 1 . . . . 78 PRO HB3 . 15289 1
598 . 1 1 78 78 PRO HD2 H 1 2.671 0.003 . 1 . . . . 78 PRO HD2 . 15289 1
599 . 1 1 78 78 PRO HD3 H 1 2.671 0.003 . 1 . . . . 78 PRO HD3 . 15289 1
600 . 1 1 78 78 PRO HG2 H 1 -0.164 0.003 . 1 . . . . 78 PRO HG2 . 15289 1
601 . 1 1 78 78 PRO HG3 H 1 -0.164 0.003 . 1 . . . . 78 PRO HG3 . 15289 1
602 . 1 1 80 80 ILE H H 1 7.937 0.003 . 1 . . . . 80 ILE H . 15289 1
603 . 1 1 80 80 ILE HA H 1 3.905 0.005 . 1 . . . . 80 ILE HA . 15289 1
604 . 1 1 80 80 ILE HB H 1 1.688 0.004 . 1 . . . . 80 ILE HB . 15289 1
605 . 1 1 80 80 ILE HD11 H 1 0.680 0.003 . 1 . . . . 80 ILE HD11 . 15289 1
606 . 1 1 80 80 ILE HD12 H 1 0.680 0.003 . 1 . . . . 80 ILE HD12 . 15289 1
607 . 1 1 80 80 ILE HD13 H 1 0.680 0.003 . 1 . . . . 80 ILE HD13 . 15289 1
608 . 1 1 80 80 ILE HG12 H 1 1.586 0.003 . 2 . . . . 80 ILE HG12 . 15289 1
609 . 1 1 80 80 ILE HG13 H 1 1.467 0.003 . 2 . . . . 80 ILE HG13 . 15289 1
610 . 1 1 80 80 ILE HG21 H 1 0.739 0.003 . 1 . . . . 80 ILE HG21 . 15289 1
611 . 1 1 80 80 ILE HG22 H 1 0.739 0.003 . 1 . . . . 80 ILE HG22 . 15289 1
612 . 1 1 80 80 ILE HG23 H 1 0.739 0.003 . 1 . . . . 80 ILE HG23 . 15289 1
613 . 1 1 80 80 ILE N N 15 122.273 0.1 . 1 . . . . 80 ILE N . 15289 1
614 . 1 1 81 81 PHE H H 1 7.514 0.002 . 1 . . . . 81 PHE H . 15289 1
615 . 1 1 81 81 PHE HA H 1 4.504 0.003 . 1 . . . . 81 PHE HA . 15289 1
616 . 1 1 81 81 PHE HB2 H 1 2.997 0.003 . 1 . . . . 81 PHE HB2 . 15289 1
617 . 1 1 81 81 PHE HB3 H 1 2.819 0.003 . 1 . . . . 81 PHE HB3 . 15289 1
618 . 1 1 81 81 PHE HD1 H 1 7.100 0.005 . 3 . . . . 81 PHE HD1 . 15289 1
619 . 1 1 81 81 PHE HD2 H 1 7.100 0.005 . 3 . . . . 81 PHE HD2 . 15289 1
620 . 1 1 81 81 PHE HE1 H 1 6.725 0.003 . 3 . . . . 81 PHE HE1 . 15289 1
621 . 1 1 81 81 PHE HE2 H 1 6.725 0.003 . 3 . . . . 81 PHE HE2 . 15289 1
622 . 1 1 81 81 PHE HZ H 1 6.576 0.003 . 1 . . . . 81 PHE HZ . 15289 1
623 . 1 1 81 81 PHE N N 15 108.965 0.1 . 1 . . . . 81 PHE N . 15289 1
624 . 1 1 82 82 LEU H H 1 7.981 0.002 . 1 . . . . 82 LEU H . 15289 1
625 . 1 1 82 82 LEU HA H 1 4.322 0.04 . 1 . . . . 82 LEU HA . 15289 1
626 . 1 1 82 82 LEU HB2 H 1 1.509 0.004 . 1 . . . . 82 LEU HB2 . 15289 1
627 . 1 1 82 82 LEU HB3 H 1 1.509 0.002 . 1 . . . . 82 LEU HB3 . 15289 1
628 . 1 1 82 82 LEU HD11 H 1 0.580 0.003 . 1 . . . . 82 LEU HD11 . 15289 1
629 . 1 1 82 82 LEU HD12 H 1 0.580 0.003 . 1 . . . . 82 LEU HD12 . 15289 1
630 . 1 1 82 82 LEU HD13 H 1 0.580 0.003 . 1 . . . . 82 LEU HD13 . 15289 1
631 . 1 1 82 82 LEU HD21 H 1 0.580 0.003 . 1 . . . . 82 LEU HD21 . 15289 1
632 . 1 1 82 82 LEU HD22 H 1 0.580 0.003 . 1 . . . . 82 LEU HD22 . 15289 1
633 . 1 1 82 82 LEU HD23 H 1 0.580 0.003 . 1 . . . . 82 LEU HD23 . 15289 1
634 . 1 1 82 82 LEU HG H 1 0.783 0.005 . 1 . . . . 82 LEU HG . 15289 1
635 . 1 1 86 86 PRO HA H 1 4.370 0.003 . 1 . . . . 86 PRO HA . 15289 1
636 . 1 1 86 86 PRO HB2 H 1 2.262 0.003 . 2 . . . . 86 PRO HB2 . 15289 1
637 . 1 1 86 86 PRO HB3 H 1 2.042 0.003 . 2 . . . . 86 PRO HB3 . 15289 1
638 . 1 1 86 86 PRO HD2 H 1 3.822 0.003 . 2 . . . . 86 PRO HD2 . 15289 1
639 . 1 1 86 86 PRO HD3 H 1 3.626 0.003 . 2 . . . . 86 PRO HD3 . 15289 1
640 . 1 1 86 86 PRO HG2 H 1 1.935 0.003 . 1 . . . . 86 PRO HG2 . 15289 1
641 . 1 1 86 86 PRO HG3 H 1 1.935 0.003 . 1 . . . . 86 PRO HG3 . 15289 1
stop_
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