###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 11544
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11544 1
2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 11544 1
3 '3D HNCO' 1 $sample_1 isotropic 11544 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 7 7 THR HB H 1 4.100 0.03 . 1 . . . A 7 THR HB . 11544 1
2 . 1 1 7 7 THR HG21 H 1 1.110 0.03 . 1 . . . A 7 THR HG21 . 11544 1
3 . 1 1 7 7 THR HG22 H 1 1.110 0.03 . 1 . . . A 7 THR HG22 . 11544 1
4 . 1 1 7 7 THR HG23 H 1 1.110 0.03 . 1 . . . A 7 THR HG23 . 11544 1
5 . 1 1 7 7 THR CB C 13 68.233 0.100 . 1 . . . A 7 THR CB . 11544 1
6 . 1 1 7 7 THR CG2 C 13 22.344 0.100 . 1 . . . A 7 THR CG2 . 11544 1
7 . 1 1 12 12 SER HA H 1 4.214 0.03 . 1 . . . A 12 SER HA . 11544 1
8 . 1 1 12 12 SER HB2 H 1 3.792 0.03 . 2 . . . A 12 SER HB2 . 11544 1
9 . 1 1 12 12 SER HB3 H 1 4.016 0.03 . 2 . . . A 12 SER HB3 . 11544 1
10 . 1 1 12 12 SER C C 13 174.437 0.100 . 1 . . . A 12 SER C . 11544 1
11 . 1 1 12 12 SER CA C 13 58.551 0.100 . 1 . . . A 12 SER CA . 11544 1
12 . 1 1 12 12 SER CB C 13 63.823 0.100 . 1 . . . A 12 SER CB . 11544 1
13 . 1 1 13 13 ASP H H 1 8.315 0.03 . 1 . . . A 13 ASP H . 11544 1
14 . 1 1 13 13 ASP N N 15 122.549 0.3 . 1 . . . A 13 ASP N . 11544 1
15 . 1 1 22 22 THR HB H 1 4.202 0.03 . 1 . . . A 22 THR HB . 11544 1
16 . 1 1 22 22 THR HG21 H 1 1.047 0.03 . 1 . . . A 22 THR HG21 . 11544 1
17 . 1 1 22 22 THR HG22 H 1 1.047 0.03 . 1 . . . A 22 THR HG22 . 11544 1
18 . 1 1 22 22 THR HG23 H 1 1.047 0.03 . 1 . . . A 22 THR HG23 . 11544 1
19 . 1 1 22 22 THR CB C 13 68.460 0.100 . 1 . . . A 22 THR CB . 11544 1
20 . 1 1 22 22 THR CG2 C 13 22.006 0.100 . 1 . . . A 22 THR CG2 . 11544 1
21 . 1 1 23 23 ARG HA H 1 4.064 0.03 . 1 . . . A 23 ARG HA . 11544 1
22 . 1 1 23 23 ARG HB2 H 1 1.781 0.03 . 1 . . . A 23 ARG HB2 . 11544 1
23 . 1 1 23 23 ARG HG3 H 1 1.527 0.03 . 1 . . . A 23 ARG HG3 . 11544 1
24 . 1 1 23 23 ARG HD2 H 1 3.006 0.03 . 1 . . . A 23 ARG HD2 . 11544 1
25 . 1 1 23 23 ARG CA C 13 58.795 0.100 . 1 . . . A 23 ARG CA . 11544 1
26 . 1 1 23 23 ARG CB C 13 30.097 0.100 . 1 . . . A 23 ARG CB . 11544 1
27 . 1 1 23 23 ARG CG C 13 28.052 0.100 . 1 . . . A 23 ARG CG . 11544 1
28 . 1 1 23 23 ARG CD C 13 43.518 0.100 . 1 . . . A 23 ARG CD . 11544 1
29 . 1 1 24 24 LYS HB3 H 1 1.716 0.03 . 1 . . . A 24 LYS HB3 . 11544 1
30 . 1 1 24 24 LYS HG2 H 1 1.286 0.03 . 2 . . . A 24 LYS HG2 . 11544 1
31 . 1 1 24 24 LYS HG3 H 1 1.409 0.03 . 2 . . . A 24 LYS HG3 . 11544 1
32 . 1 1 24 24 LYS HD2 H 1 1.549 0.03 . 1 . . . A 24 LYS HD2 . 11544 1
33 . 1 1 24 24 LYS HE2 H 1 2.806 0.03 . 1 . . . A 24 LYS HE2 . 11544 1
34 . 1 1 24 24 LYS CB C 13 32.234 0.100 . 1 . . . A 24 LYS CB . 11544 1
35 . 1 1 24 24 LYS CG C 13 25.218 0.100 . 1 . . . A 24 LYS CG . 11544 1
36 . 1 1 24 24 LYS CD C 13 29.054 0.100 . 1 . . . A 24 LYS CD . 11544 1
37 . 1 1 24 24 LYS CE C 13 42.041 0.100 . 1 . . . A 24 LYS CE . 11544 1
38 . 1 1 29 29 LEU C C 13 178.100 0.100 . 1 . . . A 29 LEU C . 11544 1
39 . 1 1 30 30 SER H H 1 7.822 0.03 . 1 . . . A 30 SER H . 11544 1
40 . 1 1 30 30 SER HA H 1 4.301 0.03 . 1 . . . A 30 SER HA . 11544 1
41 . 1 1 30 30 SER HB2 H 1 3.674 0.03 . 1 . . . A 30 SER HB2 . 11544 1
42 . 1 1 30 30 SER C C 13 177.488 0.100 . 1 . . . A 30 SER C . 11544 1
43 . 1 1 30 30 SER CA C 13 59.852 0.100 . 1 . . . A 30 SER CA . 11544 1
44 . 1 1 30 30 SER CB C 13 63.819 0.100 . 1 . . . A 30 SER CB . 11544 1
45 . 1 1 30 30 SER N N 15 114.251 0.3 . 1 . . . A 30 SER N . 11544 1
46 . 1 1 31 31 ASP H H 1 7.915 0.03 . 1 . . . A 31 ASP H . 11544 1
47 . 1 1 31 31 ASP HA H 1 4.599 0.03 . 1 . . . A 31 ASP HA . 11544 1
48 . 1 1 31 31 ASP HB2 H 1 2.694 0.03 . 1 . . . A 31 ASP HB2 . 11544 1
49 . 1 1 31 31 ASP C C 13 176.958 0.100 . 1 . . . A 31 ASP C . 11544 1
50 . 1 1 31 31 ASP CA C 13 55.138 0.100 . 1 . . . A 31 ASP CA . 11544 1
51 . 1 1 31 31 ASP CB C 13 41.265 0.100 . 1 . . . A 31 ASP CB . 11544 1
52 . 1 1 31 31 ASP N N 15 121.114 0.3 . 1 . . . A 31 ASP N . 11544 1
53 . 1 1 32 32 GLY H H 1 7.756 0.03 . 1 . . . A 32 GLY H . 11544 1
54 . 1 1 32 32 GLY N N 15 107.094 0.3 . 1 . . . A 32 GLY N . 11544 1
55 . 1 1 33 33 ASN HA H 1 4.545 0.03 . 1 . . . A 33 ASN HA . 11544 1
56 . 1 1 33 33 ASN HB2 H 1 2.788 0.03 . 1 . . . A 33 ASN HB2 . 11544 1
57 . 1 1 33 33 ASN HD21 H 1 6.842 0.03 . 1 . . . A 33 ASN HD21 . 11544 1
58 . 1 1 33 33 ASN HD22 H 1 7.546 0.03 . 1 . . . A 33 ASN HD22 . 11544 1
59 . 1 1 33 33 ASN C C 13 176.565 0.100 . 1 . . . A 33 ASN C . 11544 1
60 . 1 1 33 33 ASN CA C 13 54.722 0.100 . 1 . . . A 33 ASN CA . 11544 1
61 . 1 1 33 33 ASN CB C 13 38.994 0.100 . 1 . . . A 33 ASN CB . 11544 1
62 . 1 1 33 33 ASN ND2 N 15 112.480 0.3 . 1 . . . A 33 ASN ND2 . 11544 1
63 . 1 1 34 34 GLU H H 1 8.732 0.03 . 1 . . . A 34 GLU H . 11544 1
64 . 1 1 34 34 GLU HA H 1 4.161 0.03 . 1 . . . A 34 GLU HA . 11544 1
65 . 1 1 34 34 GLU HB2 H 1 2.039 0.03 . 2 . . . A 34 GLU HB2 . 11544 1
66 . 1 1 34 34 GLU HB3 H 1 1.907 0.03 . 2 . . . A 34 GLU HB3 . 11544 1
67 . 1 1 34 34 GLU HG2 H 1 2.273 0.03 . 2 . . . A 34 GLU HG2 . 11544 1
68 . 1 1 34 34 GLU HG3 H 1 2.201 0.03 . 2 . . . A 34 GLU HG3 . 11544 1
69 . 1 1 34 34 GLU C C 13 177.512 0.100 . 1 . . . A 34 GLU C . 11544 1
70 . 1 1 34 34 GLU CA C 13 58.046 0.100 . 1 . . . A 34 GLU CA . 11544 1
71 . 1 1 34 34 GLU CB C 13 29.501 0.100 . 1 . . . A 34 GLU CB . 11544 1
72 . 1 1 34 34 GLU CG C 13 36.289 0.100 . 1 . . . A 34 GLU CG . 11544 1
73 . 1 1 34 34 GLU N N 15 120.392 0.3 . 1 . . . A 34 GLU N . 11544 1
74 . 1 1 35 35 GLN H H 1 8.277 0.03 . 1 . . . A 35 GLN H . 11544 1
75 . 1 1 35 35 GLN HA H 1 4.369 0.03 . 1 . . . A 35 GLN HA . 11544 1
76 . 1 1 35 35 GLN HB2 H 1 2.246 0.03 . 2 . . . A 35 GLN HB2 . 11544 1
77 . 1 1 35 35 GLN HB3 H 1 2.403 0.03 . 2 . . . A 35 GLN HB3 . 11544 1
78 . 1 1 35 35 GLN HG2 H 1 2.341 0.03 . 1 . . . A 35 GLN HG2 . 11544 1
79 . 1 1 35 35 GLN HE21 H 1 6.625 0.03 . 1 . . . A 35 GLN HE21 . 11544 1
80 . 1 1 35 35 GLN C C 13 177.177 0.100 . 1 . . . A 35 GLN C . 11544 1
81 . 1 1 35 35 GLN CA C 13 56.351 0.100 . 1 . . . A 35 GLN CA . 11544 1
82 . 1 1 35 35 GLN CB C 13 28.725 0.100 . 1 . . . A 35 GLN CB . 11544 1
83 . 1 1 35 35 GLN CG C 13 34.115 0.100 . 1 . . . A 35 GLN CG . 11544 1
84 . 1 1 35 35 GLN N N 15 118.970 0.3 . 1 . . . A 35 GLN N . 11544 1
85 . 1 1 35 35 GLN NE2 N 15 111.781 0.3 . 1 . . . A 35 GLN NE2 . 11544 1
86 . 1 1 36 36 ILE H H 1 7.862 0.03 . 1 . . . A 36 ILE H . 11544 1
87 . 1 1 36 36 ILE HG12 H 1 1.011 0.03 . 1 . . . A 36 ILE HG12 . 11544 1
88 . 1 1 36 36 ILE C C 13 177.264 0.100 . 1 . . . A 36 ILE C . 11544 1
89 . 1 1 36 36 ILE CG1 C 13 29.165 0.100 . 1 . . . A 36 ILE CG1 . 11544 1
90 . 1 1 36 36 ILE N N 15 120.242 0.3 . 1 . . . A 36 ILE N . 11544 1
91 . 1 1 37 37 GLN H H 1 8.216 0.03 . 1 . . . A 37 GLN H . 11544 1
92 . 1 1 37 37 GLN HA H 1 3.745 0.03 . 1 . . . A 37 GLN HA . 11544 1
93 . 1 1 37 37 GLN HB3 H 1 2.029 0.03 . 1 . . . A 37 GLN HB3 . 11544 1
94 . 1 1 37 37 GLN HG2 H 1 2.307 0.03 . 2 . . . A 37 GLN HG2 . 11544 1
95 . 1 1 37 37 GLN HG3 H 1 2.387 0.03 . 2 . . . A 37 GLN HG3 . 11544 1
96 . 1 1 37 37 GLN HE21 H 1 7.438 0.03 . 1 . . . A 37 GLN HE21 . 11544 1
97 . 1 1 37 37 GLN HE22 H 1 7.438 0.03 . 1 . . . A 37 GLN HE22 . 11544 1
98 . 1 1 37 37 GLN CA C 13 58.170 0.100 . 1 . . . A 37 GLN CA . 11544 1
99 . 1 1 37 37 GLN CB C 13 28.137 0.100 . 1 . . . A 37 GLN CB . 11544 1
100 . 1 1 37 37 GLN CG C 13 33.459 0.100 . 1 . . . A 37 GLN CG . 11544 1
101 . 1 1 37 37 GLN N N 15 119.444 0.3 . 1 . . . A 37 GLN N . 11544 1
102 . 1 1 37 37 GLN NE2 N 15 111.781 0.3 . 1 . . . A 37 GLN NE2 . 11544 1
103 . 1 1 38 38 ALA H H 1 7.557 0.03 . 1 . . . A 38 ALA H . 11544 1
104 . 1 1 38 38 ALA HA H 1 4.117 0.03 . 1 . . . A 38 ALA HA . 11544 1
105 . 1 1 38 38 ALA HB1 H 1 1.425 0.03 . 1 . . . A 38 ALA HB1 . 11544 1
106 . 1 1 38 38 ALA HB2 H 1 1.425 0.03 . 1 . . . A 38 ALA HB2 . 11544 1
107 . 1 1 38 38 ALA HB3 H 1 1.425 0.03 . 1 . . . A 38 ALA HB3 . 11544 1
108 . 1 1 38 38 ALA C C 13 180.679 0.100 . 1 . . . A 38 ALA C . 11544 1
109 . 1 1 38 38 ALA CA C 13 54.931 0.100 . 1 . . . A 38 ALA CA . 11544 1
110 . 1 1 38 38 ALA CB C 13 18.240 0.100 . 1 . . . A 38 ALA CB . 11544 1
111 . 1 1 38 38 ALA N N 15 120.702 0.3 . 1 . . . A 38 ALA N . 11544 1
112 . 1 1 39 39 VAL H H 1 7.833 0.03 . 1 . . . A 39 VAL H . 11544 1
113 . 1 1 39 39 VAL HA H 1 4.074 0.03 . 1 . . . A 39 VAL HA . 11544 1
114 . 1 1 39 39 VAL HB H 1 2.268 0.03 . 1 . . . A 39 VAL HB . 11544 1
115 . 1 1 39 39 VAL HG21 H 1 1.298 0.03 . 1 . . . A 39 VAL HG21 . 11544 1
116 . 1 1 39 39 VAL HG22 H 1 1.298 0.03 . 1 . . . A 39 VAL HG22 . 11544 1
117 . 1 1 39 39 VAL HG23 H 1 1.298 0.03 . 1 . . . A 39 VAL HG23 . 11544 1
118 . 1 1 39 39 VAL C C 13 178.041 0.100 . 1 . . . A 39 VAL C . 11544 1
119 . 1 1 39 39 VAL CA C 13 66.158 0.100 . 1 . . . A 39 VAL CA . 11544 1
120 . 1 1 39 39 VAL CB C 13 35.290 0.100 . 1 . . . A 39 VAL CB . 11544 1
121 . 1 1 39 39 VAL CG2 C 13 19.190 0.100 . 1 . . . A 39 VAL CG2 . 11544 1
122 . 1 1 39 39 VAL N N 15 118.717 0.3 . 1 . . . A 39 VAL N . 11544 1
123 . 1 1 40 40 ILE H H 1 7.951 0.03 . 1 . . . A 40 ILE H . 11544 1
124 . 1 1 40 40 ILE HG12 H 1 1.165 0.03 . 1 . . . A 40 ILE HG12 . 11544 1
125 . 1 1 40 40 ILE CG1 C 13 28.204 0.100 . 1 . . . A 40 ILE CG1 . 11544 1
126 . 1 1 40 40 ILE N N 15 119.748 0.3 . 1 . . . A 40 ILE N . 11544 1
127 . 1 1 41 41 ASP H H 1 7.988 0.03 . 1 . . . A 41 ASP H . 11544 1
128 . 1 1 41 41 ASP N N 15 115.717 0.3 . 1 . . . A 41 ASP N . 11544 1
129 . 1 1 42 42 ALA H H 1 8.030 0.03 . 1 . . . A 42 ALA H . 11544 1
130 . 1 1 42 42 ALA HA H 1 4.233 0.03 . 1 . . . A 42 ALA HA . 11544 1
131 . 1 1 42 42 ALA HB1 H 1 1.469 0.03 . 1 . . . A 42 ALA HB1 . 11544 1
132 . 1 1 42 42 ALA HB2 H 1 1.469 0.03 . 1 . . . A 42 ALA HB2 . 11544 1
133 . 1 1 42 42 ALA HB3 H 1 1.469 0.03 . 1 . . . A 42 ALA HB3 . 11544 1
134 . 1 1 42 42 ALA C C 13 178.367 0.100 . 1 . . . A 42 ALA C . 11544 1
135 . 1 1 42 42 ALA CA C 13 52.839 0.100 . 1 . . . A 42 ALA CA . 11544 1
136 . 1 1 42 42 ALA CB C 13 18.921 0.100 . 1 . . . A 42 ALA CB . 11544 1
137 . 1 1 42 42 ALA N N 15 118.656 0.3 . 1 . . . A 42 ALA N . 11544 1
138 . 1 1 43 43 GLY H H 1 8.046 0.03 . 1 . . . A 43 GLY H . 11544 1
139 . 1 1 43 43 GLY HA2 H 1 3.947 0.03 . 2 . . . A 43 GLY HA2 . 11544 1
140 . 1 1 43 43 GLY HA3 H 1 4.181 0.03 . 2 . . . A 43 GLY HA3 . 11544 1
141 . 1 1 43 43 GLY CA C 13 45.701 0.100 . 1 . . . A 43 GLY CA . 11544 1
142 . 1 1 43 43 GLY N N 15 105.528 0.3 . 1 . . . A 43 GLY N . 11544 1
143 . 1 1 44 44 ALA H H 1 7.271 0.03 . 1 . . . A 44 ALA H . 11544 1
144 . 1 1 44 44 ALA HA H 1 3.861 0.03 . 1 . . . A 44 ALA HA . 11544 1
145 . 1 1 44 44 ALA HB1 H 1 1.089 0.03 . 1 . . . A 44 ALA HB1 . 11544 1
146 . 1 1 44 44 ALA HB2 H 1 1.089 0.03 . 1 . . . A 44 ALA HB2 . 11544 1
147 . 1 1 44 44 ALA HB3 H 1 1.089 0.03 . 1 . . . A 44 ALA HB3 . 11544 1
148 . 1 1 44 44 ALA C C 13 178.628 0.100 . 1 . . . A 44 ALA C . 11544 1
149 . 1 1 44 44 ALA CA C 13 54.792 0.100 . 1 . . . A 44 ALA CA . 11544 1
150 . 1 1 44 44 ALA CB C 13 20.454 0.100 . 1 . . . A 44 ALA CB . 11544 1
151 . 1 1 44 44 ALA N N 15 117.232 0.3 . 1 . . . A 44 ALA N . 11544 1
152 . 1 1 45 45 LEU H H 1 9.159 0.03 . 1 . . . A 45 LEU H . 11544 1
153 . 1 1 45 45 LEU HA H 1 3.994 0.03 . 1 . . . A 45 LEU HA . 11544 1
154 . 1 1 45 45 LEU HB2 H 1 1.181 0.03 . 2 . . . A 45 LEU HB2 . 11544 1
155 . 1 1 45 45 LEU HB3 H 1 1.903 0.03 . 2 . . . A 45 LEU HB3 . 11544 1
156 . 1 1 45 45 LEU HG H 1 1.614 0.03 . 1 . . . A 45 LEU HG . 11544 1
157 . 1 1 45 45 LEU HD11 H 1 0.712 0.03 . 2 . . . A 45 LEU HD11 . 11544 1
158 . 1 1 45 45 LEU HD12 H 1 0.712 0.03 . 2 . . . A 45 LEU HD12 . 11544 1
159 . 1 1 45 45 LEU HD13 H 1 0.712 0.03 . 2 . . . A 45 LEU HD13 . 11544 1
160 . 1 1 45 45 LEU HD21 H 1 0.765 0.03 . 2 . . . A 45 LEU HD21 . 11544 1
161 . 1 1 45 45 LEU HD22 H 1 0.765 0.03 . 2 . . . A 45 LEU HD22 . 11544 1
162 . 1 1 45 45 LEU HD23 H 1 0.765 0.03 . 2 . . . A 45 LEU HD23 . 11544 1
163 . 1 1 45 45 LEU CA C 13 60.348 0.100 . 1 . . . A 45 LEU CA . 11544 1
164 . 1 1 45 45 LEU CB C 13 39.279 0.100 . 1 . . . A 45 LEU CB . 11544 1
165 . 1 1 45 45 LEU CG C 13 27.760 0.100 . 1 . . . A 45 LEU CG . 11544 1
166 . 1 1 45 45 LEU CD1 C 13 24.535 0.100 . 2 . . . A 45 LEU CD1 . 11544 1
167 . 1 1 45 45 LEU CD2 C 13 26.072 0.100 . 2 . . . A 45 LEU CD2 . 11544 1
168 . 1 1 45 45 LEU N N 15 113.501 0.3 . 1 . . . A 45 LEU N . 11544 1
169 . 1 1 46 46 PRO HA H 1 4.149 0.03 . 1 . . . A 46 PRO HA . 11544 1
170 . 1 1 46 46 PRO HB2 H 1 2.357 0.03 . 2 . . . A 46 PRO HB2 . 11544 1
171 . 1 1 46 46 PRO HB3 H 1 1.853 0.03 . 2 . . . A 46 PRO HB3 . 11544 1
172 . 1 1 46 46 PRO C C 13 178.753 0.100 . 1 . . . A 46 PRO C . 11544 1
173 . 1 1 46 46 PRO CA C 13 66.256 0.100 . 1 . . . A 46 PRO CA . 11544 1
174 . 1 1 46 46 PRO CB C 13 30.702 0.100 . 1 . . . A 46 PRO CB . 11544 1
175 . 1 1 47 47 ALA H H 1 6.865 0.03 . 1 . . . A 47 ALA H . 11544 1
176 . 1 1 47 47 ALA HA H 1 4.130 0.03 . 1 . . . A 47 ALA HA . 11544 1
177 . 1 1 47 47 ALA HB1 H 1 1.350 0.03 . 1 . . . A 47 ALA HB1 . 11544 1
178 . 1 1 47 47 ALA HB2 H 1 1.350 0.03 . 1 . . . A 47 ALA HB2 . 11544 1
179 . 1 1 47 47 ALA HB3 H 1 1.350 0.03 . 1 . . . A 47 ALA HB3 . 11544 1
180 . 1 1 47 47 ALA C C 13 179.660 0.100 . 1 . . . A 47 ALA C . 11544 1
181 . 1 1 47 47 ALA CA C 13 54.697 0.100 . 1 . . . A 47 ALA CA . 11544 1
182 . 1 1 47 47 ALA CB C 13 19.008 0.100 . 1 . . . A 47 ALA CB . 11544 1
183 . 1 1 47 47 ALA N N 15 119.072 0.3 . 1 . . . A 47 ALA N . 11544 1
184 . 1 1 48 48 LEU H H 1 7.894 0.03 . 1 . . . A 48 LEU H . 11544 1
185 . 1 1 48 48 LEU HA H 1 3.895 0.03 . 1 . . . A 48 LEU HA . 11544 1
186 . 1 1 48 48 LEU HB2 H 1 1.514 0.03 . 2 . . . A 48 LEU HB2 . 11544 1
187 . 1 1 48 48 LEU HB3 H 1 1.331 0.03 . 2 . . . A 48 LEU HB3 . 11544 1
188 . 1 1 48 48 LEU HG H 1 1.786 0.03 . 1 . . . A 48 LEU HG . 11544 1
189 . 1 1 48 48 LEU HD11 H 1 0.642 0.03 . 2 . . . A 48 LEU HD11 . 11544 1
190 . 1 1 48 48 LEU HD12 H 1 0.642 0.03 . 2 . . . A 48 LEU HD12 . 11544 1
191 . 1 1 48 48 LEU HD13 H 1 0.642 0.03 . 2 . . . A 48 LEU HD13 . 11544 1
192 . 1 1 48 48 LEU HD21 H 1 0.535 0.03 . 2 . . . A 48 LEU HD21 . 11544 1
193 . 1 1 48 48 LEU HD22 H 1 0.535 0.03 . 2 . . . A 48 LEU HD22 . 11544 1
194 . 1 1 48 48 LEU HD23 H 1 0.535 0.03 . 2 . . . A 48 LEU HD23 . 11544 1
195 . 1 1 48 48 LEU C C 13 178.468 0.100 . 1 . . . A 48 LEU C . 11544 1
196 . 1 1 48 48 LEU CA C 13 58.000 0.100 . 1 . . . A 48 LEU CA . 11544 1
197 . 1 1 48 48 LEU CB C 13 42.315 0.100 . 1 . . . A 48 LEU CB . 11544 1
198 . 1 1 48 48 LEU CG C 13 27.030 0.100 . 1 . . . A 48 LEU CG . 11544 1
199 . 1 1 48 48 LEU CD2 C 13 23.735 0.100 . 1 . . . A 48 LEU CD2 . 11544 1
200 . 1 1 48 48 LEU N N 15 119.057 0.3 . 1 . . . A 48 LEU N . 11544 1
201 . 1 1 49 49 VAL H H 1 8.044 0.03 . 1 . . . A 49 VAL H . 11544 1
202 . 1 1 49 49 VAL HA H 1 3.277 0.03 . 1 . . . A 49 VAL HA . 11544 1
203 . 1 1 49 49 VAL HB H 1 2.042 0.03 . 1 . . . A 49 VAL HB . 11544 1
204 . 1 1 49 49 VAL HG11 H 1 0.686 0.03 . 2 . . . A 49 VAL HG11 . 11544 1
205 . 1 1 49 49 VAL HG12 H 1 0.686 0.03 . 2 . . . A 49 VAL HG12 . 11544 1
206 . 1 1 49 49 VAL HG13 H 1 0.686 0.03 . 2 . . . A 49 VAL HG13 . 11544 1
207 . 1 1 49 49 VAL HG21 H 1 0.779 0.03 . 2 . . . A 49 VAL HG21 . 11544 1
208 . 1 1 49 49 VAL HG22 H 1 0.779 0.03 . 2 . . . A 49 VAL HG22 . 11544 1
209 . 1 1 49 49 VAL HG23 H 1 0.779 0.03 . 2 . . . A 49 VAL HG23 . 11544 1
210 . 1 1 49 49 VAL C C 13 179.734 0.100 . 1 . . . A 49 VAL C . 11544 1
211 . 1 1 49 49 VAL CA C 13 66.817 0.100 . 1 . . . A 49 VAL CA . 11544 1
212 . 1 1 49 49 VAL CB C 13 31.006 0.100 . 1 . . . A 49 VAL CB . 11544 1
213 . 1 1 49 49 VAL CG1 C 13 21.442 0.100 . 2 . . . A 49 VAL CG1 . 11544 1
214 . 1 1 49 49 VAL CG2 C 13 23.808 0.100 . 2 . . . A 49 VAL CG2 . 11544 1
215 . 1 1 49 49 VAL N N 15 116.207 0.3 . 1 . . . A 49 VAL N . 11544 1
216 . 1 1 50 50 GLN H H 1 7.723 0.03 . 1 . . . A 50 GLN H . 11544 1
217 . 1 1 50 50 GLN HA H 1 3.981 0.03 . 1 . . . A 50 GLN HA . 11544 1
218 . 1 1 50 50 GLN HB2 H 1 2.120 0.03 . 2 . . . A 50 GLN HB2 . 11544 1
219 . 1 1 50 50 GLN HB3 H 1 2.090 0.03 . 2 . . . A 50 GLN HB3 . 11544 1
220 . 1 1 50 50 GLN HG2 H 1 2.398 0.03 . 1 . . . A 50 GLN HG2 . 11544 1
221 . 1 1 50 50 GLN C C 13 178.777 0.100 . 1 . . . A 50 GLN C . 11544 1
222 . 1 1 50 50 GLN CA C 13 58.764 0.100 . 1 . . . A 50 GLN CA . 11544 1
223 . 1 1 50 50 GLN CB C 13 28.161 0.100 . 1 . . . A 50 GLN CB . 11544 1
224 . 1 1 50 50 GLN CG C 13 33.891 0.100 . 1 . . . A 50 GLN CG . 11544 1
225 . 1 1 50 50 GLN N N 15 120.295 0.3 . 1 . . . A 50 GLN N . 11544 1
226 . 1 1 51 51 LEU H H 1 7.495 0.03 . 1 . . . A 51 LEU H . 11544 1
227 . 1 1 51 51 LEU HA H 1 4.021 0.03 . 1 . . . A 51 LEU HA . 11544 1
228 . 1 1 51 51 LEU HB2 H 1 1.959 0.03 . 2 . . . A 51 LEU HB2 . 11544 1
229 . 1 1 51 51 LEU HB3 H 1 1.338 0.03 . 2 . . . A 51 LEU HB3 . 11544 1
230 . 1 1 51 51 LEU HG H 1 1.991 0.03 . 1 . . . A 51 LEU HG . 11544 1
231 . 1 1 51 51 LEU HD21 H 1 0.807 0.03 . 1 . . . A 51 LEU HD21 . 11544 1
232 . 1 1 51 51 LEU HD22 H 1 0.807 0.03 . 1 . . . A 51 LEU HD22 . 11544 1
233 . 1 1 51 51 LEU HD23 H 1 0.807 0.03 . 1 . . . A 51 LEU HD23 . 11544 1
234 . 1 1 51 51 LEU C C 13 177.915 0.100 . 1 . . . A 51 LEU C . 11544 1
235 . 1 1 51 51 LEU CA C 13 56.814 0.100 . 1 . . . A 51 LEU CA . 11544 1
236 . 1 1 51 51 LEU CB C 13 40.465 0.100 . 1 . . . A 51 LEU CB . 11544 1
237 . 1 1 51 51 LEU CG C 13 26.374 0.100 . 1 . . . A 51 LEU CG . 11544 1
238 . 1 1 51 51 LEU CD2 C 13 22.084 0.100 . 1 . . . A 51 LEU CD2 . 11544 1
239 . 1 1 51 51 LEU N N 15 119.329 0.3 . 1 . . . A 51 LEU N . 11544 1
240 . 1 1 52 52 LEU H H 1 7.455 0.03 . 1 . . . A 52 LEU H . 11544 1
241 . 1 1 52 52 LEU HA H 1 4.109 0.03 . 1 . . . A 52 LEU HA . 11544 1
242 . 1 1 52 52 LEU HB2 H 1 1.933 0.03 . 2 . . . A 52 LEU HB2 . 11544 1
243 . 1 1 52 52 LEU HB3 H 1 1.404 0.03 . 2 . . . A 52 LEU HB3 . 11544 1
244 . 1 1 52 52 LEU HG H 1 1.924 0.03 . 1 . . . A 52 LEU HG . 11544 1
245 . 1 1 52 52 LEU HD21 H 1 0.712 0.03 . 1 . . . A 52 LEU HD21 . 11544 1
246 . 1 1 52 52 LEU HD22 H 1 0.712 0.03 . 1 . . . A 52 LEU HD22 . 11544 1
247 . 1 1 52 52 LEU HD23 H 1 0.712 0.03 . 1 . . . A 52 LEU HD23 . 11544 1
248 . 1 1 52 52 LEU C C 13 176.709 0.100 . 1 . . . A 52 LEU C . 11544 1
249 . 1 1 52 52 LEU CA C 13 56.272 0.100 . 1 . . . A 52 LEU CA . 11544 1
250 . 1 1 52 52 LEU CB C 13 40.456 0.100 . 1 . . . A 52 LEU CB . 11544 1
251 . 1 1 52 52 LEU CG C 13 26.269 0.100 . 1 . . . A 52 LEU CG . 11544 1
252 . 1 1 52 52 LEU CD2 C 13 22.898 0.100 . 1 . . . A 52 LEU CD2 . 11544 1
253 . 1 1 52 52 LEU N N 15 116.012 0.3 . 1 . . . A 52 LEU N . 11544 1
254 . 1 1 53 53 SER H H 1 7.367 0.03 . 1 . . . A 53 SER H . 11544 1
255 . 1 1 53 53 SER HA H 1 4.524 0.03 . 1 . . . A 53 SER HA . 11544 1
256 . 1 1 53 53 SER HB2 H 1 3.943 0.03 . 2 . . . A 53 SER HB2 . 11544 1
257 . 1 1 53 53 SER HB3 H 1 3.899 0.03 . 2 . . . A 53 SER HB3 . 11544 1
258 . 1 1 53 53 SER C C 13 174.270 0.100 . 1 . . . A 53 SER C . 11544 1
259 . 1 1 53 53 SER CA C 13 57.569 0.100 . 1 . . . A 53 SER CA . 11544 1
260 . 1 1 53 53 SER CB C 13 63.678 0.100 . 1 . . . A 53 SER CB . 11544 1
261 . 1 1 53 53 SER N N 15 110.972 0.3 . 1 . . . A 53 SER N . 11544 1
262 . 1 1 54 54 SER H H 1 7.472 0.03 . 1 . . . A 54 SER H . 11544 1
263 . 1 1 54 54 SER HA H 1 4.440 0.03 . 1 . . . A 54 SER HA . 11544 1
264 . 1 1 54 54 SER HB2 H 1 4.140 0.03 . 2 . . . A 54 SER HB2 . 11544 1
265 . 1 1 54 54 SER HB3 H 1 3.707 0.03 . 2 . . . A 54 SER HB3 . 11544 1
266 . 1 1 54 54 SER CA C 13 56.796 0.100 . 1 . . . A 54 SER CA . 11544 1
267 . 1 1 54 54 SER CB C 13 65.256 0.100 . 1 . . . A 54 SER CB . 11544 1
268 . 1 1 54 54 SER N N 15 118.149 0.3 . 1 . . . A 54 SER N . 11544 1
269 . 1 1 55 55 PRO HA H 1 4.523 0.03 . 1 . . . A 55 PRO HA . 11544 1
270 . 1 1 55 55 PRO HB3 H 1 2.644 0.03 . 1 . . . A 55 PRO HB3 . 11544 1
271 . 1 1 55 55 PRO HG2 H 1 2.121 0.03 . 1 . . . A 55 PRO HG2 . 11544 1
272 . 1 1 55 55 PRO CA C 13 63.112 0.100 . 1 . . . A 55 PRO CA . 11544 1
273 . 1 1 55 55 PRO CB C 13 32.494 0.100 . 1 . . . A 55 PRO CB . 11544 1
274 . 1 1 55 55 PRO CG C 13 26.763 0.100 . 1 . . . A 55 PRO CG . 11544 1
275 . 1 1 56 56 ASN H H 1 8.199 0.03 . 1 . . . A 56 ASN H . 11544 1
276 . 1 1 56 56 ASN HA H 1 4.630 0.03 . 1 . . . A 56 ASN HA . 11544 1
277 . 1 1 56 56 ASN HB2 H 1 2.605 0.03 . 2 . . . A 56 ASN HB2 . 11544 1
278 . 1 1 56 56 ASN HB3 H 1 2.986 0.03 . 2 . . . A 56 ASN HB3 . 11544 1
279 . 1 1 56 56 ASN HD21 H 1 7.142 0.03 . 1 . . . A 56 ASN HD21 . 11544 1
280 . 1 1 56 56 ASN C C 13 174.767 0.100 . 1 . . . A 56 ASN C . 11544 1
281 . 1 1 56 56 ASN CA C 13 52.722 0.100 . 1 . . . A 56 ASN CA . 11544 1
282 . 1 1 56 56 ASN CB C 13 39.700 0.100 . 1 . . . A 56 ASN CB . 11544 1
283 . 1 1 56 56 ASN N N 15 120.115 0.3 . 1 . . . A 56 ASN N . 11544 1
284 . 1 1 56 56 ASN ND2 N 15 113.010 0.3 . 1 . . . A 56 ASN ND2 . 11544 1
285 . 1 1 57 57 GLU H H 1 8.908 0.03 . 1 . . . A 57 GLU H . 11544 1
286 . 1 1 57 57 GLU HA H 1 3.840 0.03 . 1 . . . A 57 GLU HA . 11544 1
287 . 1 1 57 57 GLU HB2 H 1 1.965 0.03 . 2 . . . A 57 GLU HB2 . 11544 1
288 . 1 1 57 57 GLU HB3 H 1 1.947 0.03 . 2 . . . A 57 GLU HB3 . 11544 1
289 . 1 1 57 57 GLU HG2 H 1 2.327 0.03 . 2 . . . A 57 GLU HG2 . 11544 1
290 . 1 1 57 57 GLU HG3 H 1 2.140 0.03 . 2 . . . A 57 GLU HG3 . 11544 1
291 . 1 1 57 57 GLU C C 13 177.667 0.100 . 1 . . . A 57 GLU C . 11544 1
292 . 1 1 57 57 GLU CA C 13 59.834 0.100 . 1 . . . A 57 GLU CA . 11544 1
293 . 1 1 57 57 GLU CB C 13 29.828 0.100 . 1 . . . A 57 GLU CB . 11544 1
294 . 1 1 57 57 GLU CG C 13 37.393 0.100 . 1 . . . A 57 GLU CG . 11544 1
295 . 1 1 57 57 GLU N N 15 126.416 0.3 . 1 . . . A 57 GLU N . 11544 1
296 . 1 1 58 58 GLN H H 1 8.023 0.03 . 1 . . . A 58 GLN H . 11544 1
297 . 1 1 58 58 GLN HA H 1 4.045 0.03 . 1 . . . A 58 GLN HA . 11544 1
298 . 1 1 58 58 GLN HB2 H 1 2.304 0.03 . 2 . . . A 58 GLN HB2 . 11544 1
299 . 1 1 58 58 GLN HB3 H 1 2.399 0.03 . 2 . . . A 58 GLN HB3 . 11544 1
300 . 1 1 58 58 GLN HG2 H 1 2.403 0.03 . 2 . . . A 58 GLN HG2 . 11544 1
301 . 1 1 58 58 GLN HG3 H 1 2.265 0.03 . 2 . . . A 58 GLN HG3 . 11544 1
302 . 1 1 58 58 GLN HE21 H 1 7.583 0.03 . 1 . . . A 58 GLN HE21 . 11544 1
303 . 1 1 58 58 GLN HE22 H 1 8.450 0.03 . 1 . . . A 58 GLN HE22 . 11544 1
304 . 1 1 58 58 GLN C C 13 178.427 0.100 . 1 . . . A 58 GLN C . 11544 1
305 . 1 1 58 58 GLN CA C 13 59.346 0.100 . 1 . . . A 58 GLN CA . 11544 1
306 . 1 1 58 58 GLN CB C 13 28.101 0.100 . 1 . . . A 58 GLN CB . 11544 1
307 . 1 1 58 58 GLN CG C 13 34.599 0.100 . 1 . . . A 58 GLN CG . 11544 1
308 . 1 1 58 58 GLN N N 15 118.680 0.3 . 1 . . . A 58 GLN N . 11544 1
309 . 1 1 58 58 GLN NE2 N 15 118.829 0.3 . 1 . . . A 58 GLN NE2 . 11544 1
310 . 1 1 59 59 ILE H H 1 7.406 0.03 . 1 . . . A 59 ILE H . 11544 1
311 . 1 1 59 59 ILE HA H 1 3.507 0.03 . 1 . . . A 59 ILE HA . 11544 1
312 . 1 1 59 59 ILE HB H 1 2.036 0.03 . 1 . . . A 59 ILE HB . 11544 1
313 . 1 1 59 59 ILE HG12 H 1 2.060 0.03 . 2 . . . A 59 ILE HG12 . 11544 1
314 . 1 1 59 59 ILE HG13 H 1 1.542 0.03 . 2 . . . A 59 ILE HG13 . 11544 1
315 . 1 1 59 59 ILE HG21 H 1 0.950 0.03 . 1 . . . A 59 ILE HG21 . 11544 1
316 . 1 1 59 59 ILE HG22 H 1 0.950 0.03 . 1 . . . A 59 ILE HG22 . 11544 1
317 . 1 1 59 59 ILE HG23 H 1 0.950 0.03 . 1 . . . A 59 ILE HG23 . 11544 1
318 . 1 1 59 59 ILE HD11 H 1 0.957 0.03 . 1 . . . A 59 ILE HD11 . 11544 1
319 . 1 1 59 59 ILE HD12 H 1 0.957 0.03 . 1 . . . A 59 ILE HD12 . 11544 1
320 . 1 1 59 59 ILE HD13 H 1 0.957 0.03 . 1 . . . A 59 ILE HD13 . 11544 1
321 . 1 1 59 59 ILE C C 13 177.081 0.100 . 1 . . . A 59 ILE C . 11544 1
322 . 1 1 59 59 ILE CA C 13 65.062 0.100 . 1 . . . A 59 ILE CA . 11544 1
323 . 1 1 59 59 ILE CB C 13 37.547 0.100 . 1 . . . A 59 ILE CB . 11544 1
324 . 1 1 59 59 ILE CG1 C 13 30.279 0.100 . 1 . . . A 59 ILE CG1 . 11544 1
325 . 1 1 59 59 ILE CG2 C 13 18.692 0.100 . 1 . . . A 59 ILE CG2 . 11544 1
326 . 1 1 59 59 ILE CD1 C 13 13.116 0.100 . 1 . . . A 59 ILE CD1 . 11544 1
327 . 1 1 59 59 ILE N N 15 120.551 0.3 . 1 . . . A 59 ILE N . 11544 1
328 . 1 1 60 60 LEU H H 1 7.904 0.03 . 1 . . . A 60 LEU H . 11544 1
329 . 1 1 60 60 LEU HA H 1 3.863 0.03 . 1 . . . A 60 LEU HA . 11544 1
330 . 1 1 60 60 LEU HB2 H 1 1.515 0.03 . 2 . . . A 60 LEU HB2 . 11544 1
331 . 1 1 60 60 LEU HB3 H 1 1.811 0.03 . 2 . . . A 60 LEU HB3 . 11544 1
332 . 1 1 60 60 LEU HG H 1 1.812 0.03 . 1 . . . A 60 LEU HG . 11544 1
333 . 1 1 60 60 LEU HD11 H 1 0.931 0.03 . 1 . . . A 60 LEU HD11 . 11544 1
334 . 1 1 60 60 LEU HD12 H 1 0.931 0.03 . 1 . . . A 60 LEU HD12 . 11544 1
335 . 1 1 60 60 LEU HD13 H 1 0.931 0.03 . 1 . . . A 60 LEU HD13 . 11544 1
336 . 1 1 60 60 LEU C C 13 178.942 0.100 . 1 . . . A 60 LEU C . 11544 1
337 . 1 1 60 60 LEU CA C 13 59.152 0.100 . 1 . . . A 60 LEU CA . 11544 1
338 . 1 1 60 60 LEU CB C 13 43.322 0.100 . 1 . . . A 60 LEU CB . 11544 1
339 . 1 1 60 60 LEU CG C 13 26.299 0.100 . 1 . . . A 60 LEU CG . 11544 1
340 . 1 1 60 60 LEU CD1 C 13 24.743 0.100 . 1 . . . A 60 LEU CD1 . 11544 1
341 . 1 1 60 60 LEU N N 15 120.044 0.3 . 1 . . . A 60 LEU N . 11544 1
342 . 1 1 61 61 GLN H H 1 7.899 0.03 . 1 . . . A 61 GLN H . 11544 1
343 . 1 1 61 61 GLN HA H 1 3.575 0.03 . 1 . . . A 61 GLN HA . 11544 1
344 . 1 1 61 61 GLN HB2 H 1 1.966 0.03 . 2 . . . A 61 GLN HB2 . 11544 1
345 . 1 1 61 61 GLN HB3 H 1 1.834 0.03 . 2 . . . A 61 GLN HB3 . 11544 1
346 . 1 1 61 61 GLN HG2 H 1 1.923 0.03 . 2 . . . A 61 GLN HG2 . 11544 1
347 . 1 1 61 61 GLN HG3 H 1 1.826 0.03 . 2 . . . A 61 GLN HG3 . 11544 1
348 . 1 1 61 61 GLN HE21 H 1 6.401 0.03 . 1 . . . A 61 GLN HE21 . 11544 1
349 . 1 1 61 61 GLN HE22 H 1 7.098 0.03 . 1 . . . A 61 GLN HE22 . 11544 1
350 . 1 1 61 61 GLN C C 13 177.935 0.100 . 1 . . . A 61 GLN C . 11544 1
351 . 1 1 61 61 GLN CA C 13 59.672 0.100 . 1 . . . A 61 GLN CA . 11544 1
352 . 1 1 61 61 GLN CB C 13 28.821 0.100 . 1 . . . A 61 GLN CB . 11544 1
353 . 1 1 61 61 GLN CG C 13 34.614 0.100 . 1 . . . A 61 GLN CG . 11544 1
354 . 1 1 61 61 GLN N N 15 115.726 0.3 . 1 . . . A 61 GLN N . 11544 1
355 . 1 1 61 61 GLN NE2 N 15 109.818 0.3 . 1 . . . A 61 GLN NE2 . 11544 1
356 . 1 1 62 62 GLU H H 1 7.582 0.03 . 1 . . . A 62 GLU H . 11544 1
357 . 1 1 62 62 GLU HA H 1 4.063 0.03 . 1 . . . A 62 GLU HA . 11544 1
358 . 1 1 62 62 GLU HB2 H 1 1.976 0.03 . 1 . . . A 62 GLU HB2 . 11544 1
359 . 1 1 62 62 GLU HG2 H 1 2.259 0.03 . 2 . . . A 62 GLU HG2 . 11544 1
360 . 1 1 62 62 GLU HG3 H 1 2.177 0.03 . 2 . . . A 62 GLU HG3 . 11544 1
361 . 1 1 62 62 GLU C C 13 179.198 0.100 . 1 . . . A 62 GLU C . 11544 1
362 . 1 1 62 62 GLU CA C 13 59.319 0.100 . 1 . . . A 62 GLU CA . 11544 1
363 . 1 1 62 62 GLU CB C 13 28.907 0.100 . 1 . . . A 62 GLU CB . 11544 1
364 . 1 1 62 62 GLU CG C 13 36.277 0.100 . 1 . . . A 62 GLU CG . 11544 1
365 . 1 1 62 62 GLU N N 15 118.781 0.3 . 1 . . . A 62 GLU N . 11544 1
366 . 1 1 63 63 ALA H H 1 8.603 0.03 . 1 . . . A 63 ALA H . 11544 1
367 . 1 1 63 63 ALA HA H 1 3.910 0.03 . 1 . . . A 63 ALA HA . 11544 1
368 . 1 1 63 63 ALA HB1 H 1 1.362 0.03 . 1 . . . A 63 ALA HB1 . 11544 1
369 . 1 1 63 63 ALA HB2 H 1 1.362 0.03 . 1 . . . A 63 ALA HB2 . 11544 1
370 . 1 1 63 63 ALA HB3 H 1 1.362 0.03 . 1 . . . A 63 ALA HB3 . 11544 1
371 . 1 1 63 63 ALA C C 13 179.210 0.100 . 1 . . . A 63 ALA C . 11544 1
372 . 1 1 63 63 ALA CA C 13 55.456 0.100 . 1 . . . A 63 ALA CA . 11544 1
373 . 1 1 63 63 ALA CB C 13 18.401 0.100 . 1 . . . A 63 ALA CB . 11544 1
374 . 1 1 63 63 ALA N N 15 123.206 0.3 . 1 . . . A 63 ALA N . 11544 1
375 . 1 1 64 64 LEU H H 1 8.450 0.03 . 1 . . . A 64 LEU H . 11544 1
376 . 1 1 64 64 LEU HA H 1 4.184 0.03 . 1 . . . A 64 LEU HA . 11544 1
377 . 1 1 64 64 LEU HB2 H 1 1.513 0.03 . 2 . . . A 64 LEU HB2 . 11544 1
378 . 1 1 64 64 LEU HB3 H 1 1.726 0.03 . 2 . . . A 64 LEU HB3 . 11544 1
379 . 1 1 64 64 LEU HG H 1 1.717 0.03 . 1 . . . A 64 LEU HG . 11544 1
380 . 1 1 64 64 LEU HD11 H 1 0.789 0.03 . 2 . . . A 64 LEU HD11 . 11544 1
381 . 1 1 64 64 LEU HD12 H 1 0.789 0.03 . 2 . . . A 64 LEU HD12 . 11544 1
382 . 1 1 64 64 LEU HD13 H 1 0.789 0.03 . 2 . . . A 64 LEU HD13 . 11544 1
383 . 1 1 64 64 LEU HD21 H 1 0.753 0.03 . 2 . . . A 64 LEU HD21 . 11544 1
384 . 1 1 64 64 LEU HD22 H 1 0.753 0.03 . 2 . . . A 64 LEU HD22 . 11544 1
385 . 1 1 64 64 LEU HD23 H 1 0.753 0.03 . 2 . . . A 64 LEU HD23 . 11544 1
386 . 1 1 64 64 LEU C C 13 178.940 0.100 . 1 . . . A 64 LEU C . 11544 1
387 . 1 1 64 64 LEU CA C 13 58.101 0.100 . 1 . . . A 64 LEU CA . 11544 1
388 . 1 1 64 64 LEU CB C 13 41.732 0.100 . 1 . . . A 64 LEU CB . 11544 1
389 . 1 1 64 64 LEU CG C 13 26.569 0.100 . 1 . . . A 64 LEU CG . 11544 1
390 . 1 1 64 64 LEU CD2 C 13 24.460 0.100 . 1 . . . A 64 LEU CD2 . 11544 1
391 . 1 1 64 64 LEU N N 15 118.840 0.3 . 1 . . . A 64 LEU N . 11544 1
392 . 1 1 65 65 TRP H H 1 8.300 0.03 . 1 . . . A 65 TRP H . 11544 1
393 . 1 1 65 65 TRP HA H 1 4.307 0.03 . 1 . . . A 65 TRP HA . 11544 1
394 . 1 1 65 65 TRP HE1 H 1 10.027 0.03 . 1 . . . A 65 TRP HE1 . 11544 1
395 . 1 1 65 65 TRP C C 13 179.285 0.100 . 1 . . . A 65 TRP C . 11544 1
396 . 1 1 65 65 TRP CA C 13 60.415 0.100 . 1 . . . A 65 TRP CA . 11544 1
397 . 1 1 65 65 TRP N N 15 121.413 0.3 . 1 . . . A 65 TRP N . 11544 1
398 . 1 1 65 65 TRP NE1 N 15 129.071 0.3 . 1 . . . A 65 TRP NE1 . 11544 1
399 . 1 1 66 66 ALA H H 1 8.139 0.03 . 1 . . . A 66 ALA H . 11544 1
400 . 1 1 66 66 ALA HA H 1 3.891 0.03 . 1 . . . A 66 ALA HA . 11544 1
401 . 1 1 66 66 ALA HB1 H 1 1.449 0.03 . 1 . . . A 66 ALA HB1 . 11544 1
402 . 1 1 66 66 ALA HB2 H 1 1.449 0.03 . 1 . . . A 66 ALA HB2 . 11544 1
403 . 1 1 66 66 ALA HB3 H 1 1.449 0.03 . 1 . . . A 66 ALA HB3 . 11544 1
404 . 1 1 66 66 ALA C C 13 179.553 0.100 . 1 . . . A 66 ALA C . 11544 1
405 . 1 1 66 66 ALA CA C 13 55.606 0.100 . 1 . . . A 66 ALA CA . 11544 1
406 . 1 1 66 66 ALA CB C 13 17.979 0.100 . 1 . . . A 66 ALA CB . 11544 1
407 . 1 1 66 66 ALA N N 15 121.739 0.3 . 1 . . . A 66 ALA N . 11544 1
408 . 1 1 67 67 LEU H H 1 8.444 0.03 . 1 . . . A 67 LEU H . 11544 1
409 . 1 1 67 67 LEU HA H 1 3.703 0.03 . 1 . . . A 67 LEU HA . 11544 1
410 . 1 1 67 67 LEU HB2 H 1 1.400 0.03 . 2 . . . A 67 LEU HB2 . 11544 1
411 . 1 1 67 67 LEU HB3 H 1 1.774 0.03 . 2 . . . A 67 LEU HB3 . 11544 1
412 . 1 1 67 67 LEU HG H 1 1.647 0.03 . 1 . . . A 67 LEU HG . 11544 1
413 . 1 1 67 67 LEU HD11 H 1 0.684 0.03 . 1 . . . A 67 LEU HD11 . 11544 1
414 . 1 1 67 67 LEU HD12 H 1 0.684 0.03 . 1 . . . A 67 LEU HD12 . 11544 1
415 . 1 1 67 67 LEU HD13 H 1 0.684 0.03 . 1 . . . A 67 LEU HD13 . 11544 1
416 . 1 1 67 67 LEU C C 13 178.859 0.100 . 1 . . . A 67 LEU C . 11544 1
417 . 1 1 67 67 LEU CA C 13 58.280 0.100 . 1 . . . A 67 LEU CA . 11544 1
418 . 1 1 67 67 LEU CB C 13 42.381 0.100 . 1 . . . A 67 LEU CB . 11544 1
419 . 1 1 67 67 LEU CG C 13 27.055 0.100 . 1 . . . A 67 LEU CG . 11544 1
420 . 1 1 67 67 LEU CD1 C 13 26.117 0.100 . 1 . . . A 67 LEU CD1 . 11544 1
421 . 1 1 67 67 LEU N N 15 117.641 0.3 . 1 . . . A 67 LEU N . 11544 1
422 . 1 1 68 68 SER H H 1 8.651 0.03 . 1 . . . A 68 SER H . 11544 1
423 . 1 1 68 68 SER HA H 1 3.884 0.03 . 1 . . . A 68 SER HA . 11544 1
424 . 1 1 68 68 SER HB2 H 1 3.871 0.03 . 1 . . . A 68 SER HB2 . 11544 1
425 . 1 1 68 68 SER C C 13 176.653 0.100 . 1 . . . A 68 SER C . 11544 1
426 . 1 1 68 68 SER CA C 13 61.927 0.100 . 1 . . . A 68 SER CA . 11544 1
427 . 1 1 68 68 SER CB C 13 62.991 0.100 . 1 . . . A 68 SER CB . 11544 1
428 . 1 1 68 68 SER N N 15 115.069 0.3 . 1 . . . A 68 SER N . 11544 1
429 . 1 1 69 69 ASN H H 1 7.743 0.03 . 1 . . . A 69 ASN H . 11544 1
430 . 1 1 69 69 ASN HA H 1 4.181 0.03 . 1 . . . A 69 ASN HA . 11544 1
431 . 1 1 69 69 ASN HB2 H 1 2.440 0.03 . 2 . . . A 69 ASN HB2 . 11544 1
432 . 1 1 69 69 ASN HB3 H 1 2.390 0.03 . 2 . . . A 69 ASN HB3 . 11544 1
433 . 1 1 69 69 ASN HD21 H 1 6.756 0.03 . 1 . . . A 69 ASN HD21 . 11544 1
434 . 1 1 69 69 ASN HD22 H 1 7.347 0.03 . 1 . . . A 69 ASN HD22 . 11544 1
435 . 1 1 69 69 ASN C C 13 178.318 0.100 . 1 . . . A 69 ASN C . 11544 1
436 . 1 1 69 69 ASN CA C 13 56.525 0.100 . 1 . . . A 69 ASN CA . 11544 1
437 . 1 1 69 69 ASN CB C 13 38.917 0.100 . 1 . . . A 69 ASN CB . 11544 1
438 . 1 1 69 69 ASN N N 15 119.494 0.3 . 1 . . . A 69 ASN N . 11544 1
439 . 1 1 69 69 ASN ND2 N 15 111.915 0.3 . 1 . . . A 69 ASN ND2 . 11544 1
440 . 1 1 70 70 ILE H H 1 7.981 0.03 . 1 . . . A 70 ILE H . 11544 1
441 . 1 1 70 70 ILE HA H 1 3.587 0.03 . 1 . . . A 70 ILE HA . 11544 1
442 . 1 1 70 70 ILE HB H 1 2.359 0.03 . 1 . . . A 70 ILE HB . 11544 1
443 . 1 1 70 70 ILE HG12 H 1 1.959 0.03 . 1 . . . A 70 ILE HG12 . 11544 1
444 . 1 1 70 70 ILE HG21 H 1 0.704 0.03 . 1 . . . A 70 ILE HG21 . 11544 1
445 . 1 1 70 70 ILE HG22 H 1 0.704 0.03 . 1 . . . A 70 ILE HG22 . 11544 1
446 . 1 1 70 70 ILE HG23 H 1 0.704 0.03 . 1 . . . A 70 ILE HG23 . 11544 1
447 . 1 1 70 70 ILE HD11 H 1 0.754 0.03 . 1 . . . A 70 ILE HD11 . 11544 1
448 . 1 1 70 70 ILE HD12 H 1 0.754 0.03 . 1 . . . A 70 ILE HD12 . 11544 1
449 . 1 1 70 70 ILE HD13 H 1 0.754 0.03 . 1 . . . A 70 ILE HD13 . 11544 1
450 . 1 1 70 70 ILE C C 13 177.595 0.100 . 1 . . . A 70 ILE C . 11544 1
451 . 1 1 70 70 ILE CA C 13 65.023 0.100 . 1 . . . A 70 ILE CA . 11544 1
452 . 1 1 70 70 ILE CB C 13 37.470 0.100 . 1 . . . A 70 ILE CB . 11544 1
453 . 1 1 70 70 ILE CG1 C 13 29.858 0.100 . 1 . . . A 70 ILE CG1 . 11544 1
454 . 1 1 70 70 ILE CG2 C 13 17.581 0.100 . 1 . . . A 70 ILE CG2 . 11544 1
455 . 1 1 70 70 ILE CD1 C 13 12.870 0.100 . 1 . . . A 70 ILE CD1 . 11544 1
456 . 1 1 70 70 ILE N N 15 121.403 0.3 . 1 . . . A 70 ILE N . 11544 1
457 . 1 1 71 71 ALA H H 1 8.096 0.03 . 1 . . . A 71 ALA H . 11544 1
458 . 1 1 71 71 ALA HA H 1 3.756 0.03 . 1 . . . A 71 ALA HA . 11544 1
459 . 1 1 71 71 ALA HB1 H 1 1.280 0.03 . 1 . . . A 71 ALA HB1 . 11544 1
460 . 1 1 71 71 ALA HB2 H 1 1.280 0.03 . 1 . . . A 71 ALA HB2 . 11544 1
461 . 1 1 71 71 ALA HB3 H 1 1.280 0.03 . 1 . . . A 71 ALA HB3 . 11544 1
462 . 1 1 71 71 ALA C C 13 176.195 0.100 . 1 . . . A 71 ALA C . 11544 1
463 . 1 1 71 71 ALA CA C 13 53.782 0.100 . 1 . . . A 71 ALA CA . 11544 1
464 . 1 1 71 71 ALA CB C 13 17.730 0.100 . 1 . . . A 71 ALA CB . 11544 1
465 . 1 1 71 71 ALA N N 15 119.519 0.3 . 1 . . . A 71 ALA N . 11544 1
466 . 1 1 72 72 SER H H 1 7.330 0.03 . 1 . . . A 72 SER H . 11544 1
467 . 1 1 72 72 SER HA H 1 4.293 0.03 . 1 . . . A 72 SER HA . 11544 1
468 . 1 1 72 72 SER HB2 H 1 3.972 0.03 . 2 . . . A 72 SER HB2 . 11544 1
469 . 1 1 72 72 SER HB3 H 1 3.854 0.03 . 2 . . . A 72 SER HB3 . 11544 1
470 . 1 1 72 72 SER C C 13 175.146 0.100 . 1 . . . A 72 SER C . 11544 1
471 . 1 1 72 72 SER CA C 13 59.366 0.100 . 1 . . . A 72 SER CA . 11544 1
472 . 1 1 72 72 SER CB C 13 63.669 0.100 . 1 . . . A 72 SER CB . 11544 1
473 . 1 1 72 72 SER N N 15 110.449 0.3 . 1 . . . A 72 SER N . 11544 1
474 . 1 1 73 73 GLY H H 1 7.797 0.03 . 1 . . . A 73 GLY H . 11544 1
475 . 1 1 73 73 GLY HA2 H 1 4.126 0.03 . 2 . . . A 73 GLY HA2 . 11544 1
476 . 1 1 73 73 GLY HA3 H 1 3.702 0.03 . 2 . . . A 73 GLY HA3 . 11544 1
477 . 1 1 73 73 GLY C C 13 173.672 0.100 . 1 . . . A 73 GLY C . 11544 1
478 . 1 1 73 73 GLY CA C 13 45.666 0.100 . 1 . . . A 73 GLY CA . 11544 1
479 . 1 1 73 73 GLY N N 15 108.664 0.3 . 1 . . . A 73 GLY N . 11544 1
480 . 1 1 74 74 GLY H H 1 7.584 0.03 . 1 . . . A 74 GLY H . 11544 1
481 . 1 1 74 74 GLY HA2 H 1 4.440 0.03 . 2 . . . A 74 GLY HA2 . 11544 1
482 . 1 1 74 74 GLY HA3 H 1 3.920 0.03 . 2 . . . A 74 GLY HA3 . 11544 1
483 . 1 1 74 74 GLY CA C 13 44.427 0.100 . 1 . . . A 74 GLY CA . 11544 1
484 . 1 1 74 74 GLY N N 15 106.348 0.3 . 1 . . . A 74 GLY N . 11544 1
485 . 1 1 75 75 ASN HA H 1 4.248 0.03 . 1 . . . A 75 ASN HA . 11544 1
486 . 1 1 75 75 ASN HB2 H 1 2.803 0.03 . 2 . . . A 75 ASN HB2 . 11544 1
487 . 1 1 75 75 ASN HB3 H 1 2.710 0.03 . 2 . . . A 75 ASN HB3 . 11544 1
488 . 1 1 75 75 ASN HD21 H 1 6.898 0.03 . 1 . . . A 75 ASN HD21 . 11544 1
489 . 1 1 75 75 ASN HD22 H 1 7.720 0.03 . 1 . . . A 75 ASN HD22 . 11544 1
490 . 1 1 75 75 ASN C C 13 177.466 0.100 . 1 . . . A 75 ASN C . 11544 1
491 . 1 1 75 75 ASN CA C 13 57.440 0.100 . 1 . . . A 75 ASN CA . 11544 1
492 . 1 1 75 75 ASN CB C 13 39.024 0.100 . 1 . . . A 75 ASN CB . 11544 1
493 . 1 1 75 75 ASN ND2 N 15 112.815 0.3 . 1 . . . A 75 ASN ND2 . 11544 1
494 . 1 1 76 76 GLU H H 1 9.087 0.03 . 1 . . . A 76 GLU H . 11544 1
495 . 1 1 76 76 GLU HA H 1 3.997 0.03 . 1 . . . A 76 GLU HA . 11544 1
496 . 1 1 76 76 GLU HB2 H 1 1.950 0.03 . 1 . . . A 76 GLU HB2 . 11544 1
497 . 1 1 76 76 GLU HG2 H 1 2.265 0.03 . 2 . . . A 76 GLU HG2 . 11544 1
498 . 1 1 76 76 GLU HG3 H 1 2.279 0.03 . 2 . . . A 76 GLU HG3 . 11544 1
499 . 1 1 76 76 GLU C C 13 179.055 0.100 . 1 . . . A 76 GLU C . 11544 1
500 . 1 1 76 76 GLU CA C 13 59.780 0.100 . 1 . . . A 76 GLU CA . 11544 1
501 . 1 1 76 76 GLU CB C 13 28.816 0.100 . 1 . . . A 76 GLU CB . 11544 1
502 . 1 1 76 76 GLU CG C 13 36.811 0.100 . 1 . . . A 76 GLU CG . 11544 1
503 . 1 1 76 76 GLU N N 15 119.819 0.3 . 1 . . . A 76 GLU N . 11544 1
504 . 1 1 77 77 GLN H H 1 7.822 0.03 . 1 . . . A 77 GLN H . 11544 1
505 . 1 1 77 77 GLN HA H 1 3.915 0.03 . 1 . . . A 77 GLN HA . 11544 1
506 . 1 1 77 77 GLN HB3 H 1 1.973 0.03 . 1 . . . A 77 GLN HB3 . 11544 1
507 . 1 1 77 77 GLN HG2 H 1 2.358 0.03 . 2 . . . A 77 GLN HG2 . 11544 1
508 . 1 1 77 77 GLN HG3 H 1 2.220 0.03 . 2 . . . A 77 GLN HG3 . 11544 1
509 . 1 1 77 77 GLN HE21 H 1 6.739 0.03 . 1 . . . A 77 GLN HE21 . 11544 1
510 . 1 1 77 77 GLN HE22 H 1 7.527 0.03 . 1 . . . A 77 GLN HE22 . 11544 1
511 . 1 1 77 77 GLN C C 13 177.741 0.100 . 1 . . . A 77 GLN C . 11544 1
512 . 1 1 77 77 GLN CA C 13 59.738 0.100 . 1 . . . A 77 GLN CA . 11544 1
513 . 1 1 77 77 GLN CB C 13 27.380 0.100 . 1 . . . A 77 GLN CB . 11544 1
514 . 1 1 77 77 GLN CG C 13 35.388 0.100 . 1 . . . A 77 GLN CG . 11544 1
515 . 1 1 77 77 GLN N N 15 120.996 0.3 . 1 . . . A 77 GLN N . 11544 1
516 . 1 1 77 77 GLN NE2 N 15 110.801 0.3 . 1 . . . A 77 GLN NE2 . 11544 1
517 . 1 1 78 78 ILE H H 1 8.024 0.03 . 1 . . . A 78 ILE H . 11544 1
518 . 1 1 78 78 ILE HA H 1 3.329 0.03 . 1 . . . A 78 ILE HA . 11544 1
519 . 1 1 78 78 ILE HG12 H 1 1.872 0.03 . 2 . . . A 78 ILE HG12 . 11544 1
520 . 1 1 78 78 ILE HG13 H 1 0.841 0.03 . 2 . . . A 78 ILE HG13 . 11544 1
521 . 1 1 78 78 ILE HG21 H 1 0.872 0.03 . 1 . . . A 78 ILE HG21 . 11544 1
522 . 1 1 78 78 ILE HG22 H 1 0.872 0.03 . 1 . . . A 78 ILE HG22 . 11544 1
523 . 1 1 78 78 ILE HG23 H 1 0.872 0.03 . 1 . . . A 78 ILE HG23 . 11544 1
524 . 1 1 78 78 ILE HD11 H 1 0.834 0.03 . 1 . . . A 78 ILE HD11 . 11544 1
525 . 1 1 78 78 ILE HD12 H 1 0.834 0.03 . 1 . . . A 78 ILE HD12 . 11544 1
526 . 1 1 78 78 ILE HD13 H 1 0.834 0.03 . 1 . . . A 78 ILE HD13 . 11544 1
527 . 1 1 78 78 ILE C C 13 178.019 0.100 . 1 . . . A 78 ILE C . 11544 1
528 . 1 1 78 78 ILE CA C 13 66.069 0.100 . 1 . . . A 78 ILE CA . 11544 1
529 . 1 1 78 78 ILE CG1 C 13 30.545 0.100 . 1 . . . A 78 ILE CG1 . 11544 1
530 . 1 1 78 78 ILE CG2 C 13 18.548 0.100 . 1 . . . A 78 ILE CG2 . 11544 1
531 . 1 1 78 78 ILE CD1 C 13 14.036 0.100 . 1 . . . A 78 ILE CD1 . 11544 1
532 . 1 1 78 78 ILE N N 15 119.654 0.3 . 1 . . . A 78 ILE N . 11544 1
533 . 1 1 79 79 GLN H H 1 8.015 0.03 . 1 . . . A 79 GLN H . 11544 1
534 . 1 1 79 79 GLN HA H 1 3.681 0.03 . 1 . . . A 79 GLN HA . 11544 1
535 . 1 1 79 79 GLN HB2 H 1 1.984 0.03 . 2 . . . A 79 GLN HB2 . 11544 1
536 . 1 1 79 79 GLN HB3 H 1 2.090 0.03 . 2 . . . A 79 GLN HB3 . 11544 1
537 . 1 1 79 79 GLN HG2 H 1 2.280 0.03 . 2 . . . A 79 GLN HG2 . 11544 1
538 . 1 1 79 79 GLN HG3 H 1 2.415 0.03 . 2 . . . A 79 GLN HG3 . 11544 1
539 . 1 1 79 79 GLN HE21 H 1 6.671 0.03 . 1 . . . A 79 GLN HE21 . 11544 1
540 . 1 1 79 79 GLN HE22 H 1 7.794 0.03 . 1 . . . A 79 GLN HE22 . 11544 1
541 . 1 1 79 79 GLN C C 13 177.377 0.100 . 1 . . . A 79 GLN C . 11544 1
542 . 1 1 79 79 GLN CA C 13 58.262 0.100 . 1 . . . A 79 GLN CA . 11544 1
543 . 1 1 79 79 GLN CB C 13 28.088 0.100 . 1 . . . A 79 GLN CB . 11544 1
544 . 1 1 79 79 GLN CG C 13 33.810 0.100 . 1 . . . A 79 GLN CG . 11544 1
545 . 1 1 79 79 GLN N N 15 118.298 0.3 . 1 . . . A 79 GLN N . 11544 1
546 . 1 1 79 79 GLN NE2 N 15 115.090 0.3 . 1 . . . A 79 GLN NE2 . 11544 1
547 . 1 1 80 80 ALA H H 1 7.489 0.03 . 1 . . . A 80 ALA H . 11544 1
548 . 1 1 80 80 ALA HA H 1 4.120 0.03 . 1 . . . A 80 ALA HA . 11544 1
549 . 1 1 80 80 ALA HB1 H 1 1.412 0.03 . 1 . . . A 80 ALA HB1 . 11544 1
550 . 1 1 80 80 ALA HB2 H 1 1.412 0.03 . 1 . . . A 80 ALA HB2 . 11544 1
551 . 1 1 80 80 ALA HB3 H 1 1.412 0.03 . 1 . . . A 80 ALA HB3 . 11544 1
552 . 1 1 80 80 ALA C C 13 180.540 0.100 . 1 . . . A 80 ALA C . 11544 1
553 . 1 1 80 80 ALA CA C 13 55.141 0.100 . 1 . . . A 80 ALA CA . 11544 1
554 . 1 1 80 80 ALA CB C 13 17.666 0.100 . 1 . . . A 80 ALA CB . 11544 1
555 . 1 1 80 80 ALA N N 15 120.336 0.3 . 1 . . . A 80 ALA N . 11544 1
556 . 1 1 81 81 VAL H H 1 7.682 0.03 . 1 . . . A 81 VAL H . 11544 1
557 . 1 1 81 81 VAL HA H 1 3.431 0.03 . 1 . . . A 81 VAL HA . 11544 1
558 . 1 1 81 81 VAL HG11 H 1 0.914 0.03 . 2 . . . A 81 VAL HG11 . 11544 1
559 . 1 1 81 81 VAL HG12 H 1 0.914 0.03 . 2 . . . A 81 VAL HG12 . 11544 1
560 . 1 1 81 81 VAL HG13 H 1 0.914 0.03 . 2 . . . A 81 VAL HG13 . 11544 1
561 . 1 1 81 81 VAL HG21 H 1 0.931 0.03 . 2 . . . A 81 VAL HG21 . 11544 1
562 . 1 1 81 81 VAL HG22 H 1 0.931 0.03 . 2 . . . A 81 VAL HG22 . 11544 1
563 . 1 1 81 81 VAL HG23 H 1 0.931 0.03 . 2 . . . A 81 VAL HG23 . 11544 1
564 . 1 1 81 81 VAL C C 13 177.498 0.100 . 1 . . . A 81 VAL C . 11544 1
565 . 1 1 81 81 VAL CA C 13 66.866 0.100 . 1 . . . A 81 VAL CA . 11544 1
566 . 1 1 81 81 VAL CG1 C 13 21.958 0.100 . 2 . . . A 81 VAL CG1 . 11544 1
567 . 1 1 81 81 VAL CG2 C 13 23.319 0.100 . 2 . . . A 81 VAL CG2 . 11544 1
568 . 1 1 81 81 VAL N N 15 118.691 0.3 . 1 . . . A 81 VAL N . 11544 1
569 . 1 1 82 82 ILE H H 1 8.051 0.03 . 1 . . . A 82 ILE H . 11544 1
570 . 1 1 82 82 ILE HA H 1 3.563 0.03 . 1 . . . A 82 ILE HA . 11544 1
571 . 1 1 82 82 ILE HB H 1 1.917 0.03 . 1 . . . A 82 ILE HB . 11544 1
572 . 1 1 82 82 ILE HG12 H 1 1.435 0.03 . 2 . . . A 82 ILE HG12 . 11544 1
573 . 1 1 82 82 ILE HG13 H 1 1.649 0.03 . 2 . . . A 82 ILE HG13 . 11544 1
574 . 1 1 82 82 ILE HG21 H 1 0.866 0.03 . 1 . . . A 82 ILE HG21 . 11544 1
575 . 1 1 82 82 ILE HG22 H 1 0.866 0.03 . 1 . . . A 82 ILE HG22 . 11544 1
576 . 1 1 82 82 ILE HG23 H 1 0.866 0.03 . 1 . . . A 82 ILE HG23 . 11544 1
577 . 1 1 82 82 ILE HD11 H 1 0.723 0.03 . 1 . . . A 82 ILE HD11 . 11544 1
578 . 1 1 82 82 ILE HD12 H 1 0.723 0.03 . 1 . . . A 82 ILE HD12 . 11544 1
579 . 1 1 82 82 ILE HD13 H 1 0.723 0.03 . 1 . . . A 82 ILE HD13 . 11544 1
580 . 1 1 82 82 ILE C C 13 181.279 0.100 . 1 . . . A 82 ILE C . 11544 1
581 . 1 1 82 82 ILE CA C 13 65.907 0.100 . 1 . . . A 82 ILE CA . 11544 1
582 . 1 1 82 82 ILE CB C 13 37.918 0.100 . 1 . . . A 82 ILE CB . 11544 1
583 . 1 1 82 82 ILE CG1 C 13 29.049 0.100 . 1 . . . A 82 ILE CG1 . 11544 1
584 . 1 1 82 82 ILE CG2 C 13 16.381 0.100 . 1 . . . A 82 ILE CG2 . 11544 1
585 . 1 1 82 82 ILE CD1 C 13 13.877 0.100 . 1 . . . A 82 ILE CD1 . 11544 1
586 . 1 1 82 82 ILE N N 15 120.873 0.3 . 1 . . . A 82 ILE N . 11544 1
587 . 1 1 83 83 ASP H H 1 9.171 0.03 . 1 . . . A 83 ASP H . 11544 1
588 . 1 1 83 83 ASP HA H 1 4.332 0.03 . 1 . . . A 83 ASP HA . 11544 1
589 . 1 1 83 83 ASP HB2 H 1 2.657 0.03 . 2 . . . A 83 ASP HB2 . 11544 1
590 . 1 1 83 83 ASP HB3 H 1 2.702 0.03 . 2 . . . A 83 ASP HB3 . 11544 1
591 . 1 1 83 83 ASP C C 13 177.098 0.100 . 1 . . . A 83 ASP C . 11544 1
592 . 1 1 83 83 ASP CA C 13 57.200 0.100 . 1 . . . A 83 ASP CA . 11544 1
593 . 1 1 83 83 ASP CB C 13 40.010 0.100 . 1 . . . A 83 ASP CB . 11544 1
594 . 1 1 83 83 ASP N N 15 123.492 0.3 . 1 . . . A 83 ASP N . 11544 1
595 . 1 1 84 84 ALA H H 1 7.428 0.03 . 1 . . . A 84 ALA H . 11544 1
596 . 1 1 84 84 ALA HA H 1 4.274 0.03 . 1 . . . A 84 ALA HA . 11544 1
597 . 1 1 84 84 ALA HB1 H 1 1.317 0.03 . 1 . . . A 84 ALA HB1 . 11544 1
598 . 1 1 84 84 ALA HB2 H 1 1.317 0.03 . 1 . . . A 84 ALA HB2 . 11544 1
599 . 1 1 84 84 ALA HB3 H 1 1.317 0.03 . 1 . . . A 84 ALA HB3 . 11544 1
600 . 1 1 84 84 ALA C C 13 176.741 0.100 . 1 . . . A 84 ALA C . 11544 1
601 . 1 1 84 84 ALA CA C 13 52.263 0.100 . 1 . . . A 84 ALA CA . 11544 1
602 . 1 1 84 84 ALA CB C 13 19.274 0.100 . 1 . . . A 84 ALA CB . 11544 1
603 . 1 1 84 84 ALA N N 15 119.283 0.3 . 1 . . . A 84 ALA N . 11544 1
604 . 1 1 85 85 GLY H H 1 7.933 0.03 . 1 . . . A 85 GLY H . 11544 1
605 . 1 1 85 85 GLY HA2 H 1 4.143 0.03 . 2 . . . A 85 GLY HA2 . 11544 1
606 . 1 1 85 85 GLY HA3 H 1 3.861 0.03 . 2 . . . A 85 GLY HA3 . 11544 1
607 . 1 1 85 85 GLY C C 13 176.290 0.100 . 1 . . . A 85 GLY C . 11544 1
608 . 1 1 85 85 GLY CA C 13 45.660 0.100 . 1 . . . A 85 GLY CA . 11544 1
609 . 1 1 85 85 GLY N N 15 104.097 0.3 . 1 . . . A 85 GLY N . 11544 1
610 . 1 1 86 86 ALA H H 1 7.248 0.03 . 1 . . . A 86 ALA H . 11544 1
611 . 1 1 86 86 ALA HA H 1 3.837 0.03 . 1 . . . A 86 ALA HA . 11544 1
612 . 1 1 86 86 ALA HB1 H 1 1.073 0.03 . 1 . . . A 86 ALA HB1 . 11544 1
613 . 1 1 86 86 ALA HB2 H 1 1.073 0.03 . 1 . . . A 86 ALA HB2 . 11544 1
614 . 1 1 86 86 ALA HB3 H 1 1.073 0.03 . 1 . . . A 86 ALA HB3 . 11544 1
615 . 1 1 86 86 ALA C C 13 178.659 0.100 . 1 . . . A 86 ALA C . 11544 1
616 . 1 1 86 86 ALA CA C 13 54.825 0.100 . 1 . . . A 86 ALA CA . 11544 1
617 . 1 1 86 86 ALA CB C 13 20.507 0.100 . 1 . . . A 86 ALA CB . 11544 1
618 . 1 1 86 86 ALA N N 15 117.191 0.3 . 1 . . . A 86 ALA N . 11544 1
619 . 1 1 87 87 LEU H H 1 9.217 0.03 . 1 . . . A 87 LEU H . 11544 1
620 . 1 1 87 87 LEU HA H 1 3.983 0.03 . 1 . . . A 87 LEU HA . 11544 1
621 . 1 1 87 87 LEU HB2 H 1 0.932 0.03 . 2 . . . A 87 LEU HB2 . 11544 1
622 . 1 1 87 87 LEU HB3 H 1 2.067 0.03 . 2 . . . A 87 LEU HB3 . 11544 1
623 . 1 1 87 87 LEU HG H 1 1.742 0.03 . 1 . . . A 87 LEU HG . 11544 1
624 . 1 1 87 87 LEU HD21 H 1 0.763 0.03 . 1 . . . A 87 LEU HD21 . 11544 1
625 . 1 1 87 87 LEU HD22 H 1 0.763 0.03 . 1 . . . A 87 LEU HD22 . 11544 1
626 . 1 1 87 87 LEU HD23 H 1 0.763 0.03 . 1 . . . A 87 LEU HD23 . 11544 1
627 . 1 1 87 87 LEU CA C 13 60.329 0.100 . 1 . . . A 87 LEU CA . 11544 1
628 . 1 1 87 87 LEU CB C 13 38.873 0.100 . 1 . . . A 87 LEU CB . 11544 1
629 . 1 1 87 87 LEU CG C 13 27.126 0.100 . 1 . . . A 87 LEU CG . 11544 1
630 . 1 1 87 87 LEU CD2 C 13 27.039 0.100 . 1 . . . A 87 LEU CD2 . 11544 1
631 . 1 1 87 87 LEU N N 15 113.388 0.3 . 1 . . . A 87 LEU N . 11544 1
632 . 1 1 88 88 PRO HA H 1 4.170 0.03 . 1 . . . A 88 PRO HA . 11544 1
633 . 1 1 88 88 PRO HB2 H 1 1.843 0.03 . 2 . . . A 88 PRO HB2 . 11544 1
634 . 1 1 88 88 PRO HB3 H 1 2.320 0.03 . 2 . . . A 88 PRO HB3 . 11544 1
635 . 1 1 88 88 PRO HG2 H 1 2.054 0.03 . 2 . . . A 88 PRO HG2 . 11544 1
636 . 1 1 88 88 PRO HG3 H 1 1.845 0.03 . 2 . . . A 88 PRO HG3 . 11544 1
637 . 1 1 88 88 PRO C C 13 178.861 0.100 . 1 . . . A 88 PRO C . 11544 1
638 . 1 1 88 88 PRO CA C 13 66.209 0.100 . 1 . . . A 88 PRO CA . 11544 1
639 . 1 1 88 88 PRO CB C 13 30.743 0.100 . 1 . . . A 88 PRO CB . 11544 1
640 . 1 1 88 88 PRO CG C 13 28.620 0.100 . 1 . . . A 88 PRO CG . 11544 1
641 . 1 1 89 89 ALA H H 1 6.532 0.03 . 1 . . . A 89 ALA H . 11544 1
642 . 1 1 89 89 ALA HA H 1 4.072 0.03 . 1 . . . A 89 ALA HA . 11544 1
643 . 1 1 89 89 ALA HB1 H 1 1.330 0.03 . 1 . . . A 89 ALA HB1 . 11544 1
644 . 1 1 89 89 ALA HB2 H 1 1.330 0.03 . 1 . . . A 89 ALA HB2 . 11544 1
645 . 1 1 89 89 ALA HB3 H 1 1.330 0.03 . 1 . . . A 89 ALA HB3 . 11544 1
646 . 1 1 89 89 ALA C C 13 179.839 0.100 . 1 . . . A 89 ALA C . 11544 1
647 . 1 1 89 89 ALA CA C 13 54.576 0.100 . 1 . . . A 89 ALA CA . 11544 1
648 . 1 1 89 89 ALA CB C 13 19.335 0.100 . 1 . . . A 89 ALA CB . 11544 1
649 . 1 1 89 89 ALA N N 15 118.555 0.3 . 1 . . . A 89 ALA N . 11544 1
650 . 1 1 90 90 LEU H H 1 8.166 0.03 . 1 . . . A 90 LEU H . 11544 1
651 . 1 1 90 90 LEU HA H 1 3.920 0.03 . 1 . . . A 90 LEU HA . 11544 1
652 . 1 1 90 90 LEU HB2 H 1 1.175 0.03 . 2 . . . A 90 LEU HB2 . 11544 1
653 . 1 1 90 90 LEU HB3 H 1 1.973 0.03 . 2 . . . A 90 LEU HB3 . 11544 1
654 . 1 1 90 90 LEU HG H 1 1.693 0.03 . 1 . . . A 90 LEU HG . 11544 1
655 . 1 1 90 90 LEU HD11 H 1 0.830 0.03 . 2 . . . A 90 LEU HD11 . 11544 1
656 . 1 1 90 90 LEU HD12 H 1 0.830 0.03 . 2 . . . A 90 LEU HD12 . 11544 1
657 . 1 1 90 90 LEU HD13 H 1 0.830 0.03 . 2 . . . A 90 LEU HD13 . 11544 1
658 . 1 1 90 90 LEU HD21 H 1 0.564 0.03 . 2 . . . A 90 LEU HD21 . 11544 1
659 . 1 1 90 90 LEU HD22 H 1 0.564 0.03 . 2 . . . A 90 LEU HD22 . 11544 1
660 . 1 1 90 90 LEU HD23 H 1 0.564 0.03 . 2 . . . A 90 LEU HD23 . 11544 1
661 . 1 1 90 90 LEU C C 13 178.502 0.100 . 1 . . . A 90 LEU C . 11544 1
662 . 1 1 90 90 LEU CA C 13 57.976 0.100 . 1 . . . A 90 LEU CA . 11544 1
663 . 1 1 90 90 LEU CB C 13 42.310 0.100 . 1 . . . A 90 LEU CB . 11544 1
664 . 1 1 90 90 LEU CG C 13 26.580 0.100 . 1 . . . A 90 LEU CG . 11544 1
665 . 1 1 90 90 LEU CD1 C 13 25.626 0.100 . 2 . . . A 90 LEU CD1 . 11544 1
666 . 1 1 90 90 LEU CD2 C 13 25.645 0.100 . 2 . . . A 90 LEU CD2 . 11544 1
667 . 1 1 90 90 LEU N N 15 118.392 0.3 . 1 . . . A 90 LEU N . 11544 1
668 . 1 1 91 91 VAL H H 1 8.184 0.03 . 1 . . . A 91 VAL H . 11544 1
669 . 1 1 91 91 VAL HA H 1 3.261 0.03 . 1 . . . A 91 VAL HA . 11544 1
670 . 1 1 91 91 VAL HB H 1 2.016 0.03 . 1 . . . A 91 VAL HB . 11544 1
671 . 1 1 91 91 VAL HG11 H 1 0.772 0.03 . 2 . . . A 91 VAL HG11 . 11544 1
672 . 1 1 91 91 VAL HG12 H 1 0.772 0.03 . 2 . . . A 91 VAL HG12 . 11544 1
673 . 1 1 91 91 VAL HG13 H 1 0.772 0.03 . 2 . . . A 91 VAL HG13 . 11544 1
674 . 1 1 91 91 VAL HG21 H 1 0.695 0.03 . 2 . . . A 91 VAL HG21 . 11544 1
675 . 1 1 91 91 VAL HG22 H 1 0.695 0.03 . 2 . . . A 91 VAL HG22 . 11544 1
676 . 1 1 91 91 VAL HG23 H 1 0.695 0.03 . 2 . . . A 91 VAL HG23 . 11544 1
677 . 1 1 91 91 VAL C C 13 179.812 0.100 . 1 . . . A 91 VAL C . 11544 1
678 . 1 1 91 91 VAL CA C 13 66.794 0.100 . 1 . . . A 91 VAL CA . 11544 1
679 . 1 1 91 91 VAL CB C 13 31.034 0.100 . 1 . . . A 91 VAL CB . 11544 1
680 . 1 1 91 91 VAL CG1 C 13 23.858 0.100 . 2 . . . A 91 VAL CG1 . 11544 1
681 . 1 1 91 91 VAL CG2 C 13 23.846 0.100 . 2 . . . A 91 VAL CG2 . 11544 1
682 . 1 1 91 91 VAL N N 15 116.350 0.3 . 1 . . . A 91 VAL N . 11544 1
683 . 1 1 92 92 GLN H H 1 7.661 0.03 . 1 . . . A 92 GLN H . 11544 1
684 . 1 1 92 92 GLN HA H 1 3.964 0.03 . 1 . . . A 92 GLN HA . 11544 1
685 . 1 1 92 92 GLN HB2 H 1 2.111 0.03 . 2 . . . A 92 GLN HB2 . 11544 1
686 . 1 1 92 92 GLN HB3 H 1 2.129 0.03 . 2 . . . A 92 GLN HB3 . 11544 1
687 . 1 1 92 92 GLN HG2 H 1 2.391 0.03 . 2 . . . A 92 GLN HG2 . 11544 1
688 . 1 1 92 92 GLN HG3 H 1 2.406 0.03 . 2 . . . A 92 GLN HG3 . 11544 1
689 . 1 1 92 92 GLN HE21 H 1 6.702 0.03 . 1 . . . A 92 GLN HE21 . 11544 1
690 . 1 1 92 92 GLN HE22 H 1 7.315 0.03 . 1 . . . A 92 GLN HE22 . 11544 1
691 . 1 1 92 92 GLN C C 13 178.771 0.100 . 1 . . . A 92 GLN C . 11544 1
692 . 1 1 92 92 GLN CA C 13 58.768 0.100 . 1 . . . A 92 GLN CA . 11544 1
693 . 1 1 92 92 GLN CB C 13 28.089 0.100 . 1 . . . A 92 GLN CB . 11544 1
694 . 1 1 92 92 GLN CG C 13 33.963 0.100 . 1 . . . A 92 GLN CG . 11544 1
695 . 1 1 92 92 GLN N N 15 120.149 0.3 . 1 . . . A 92 GLN N . 11544 1
696 . 1 1 92 92 GLN NE2 N 15 111.807 0.3 . 1 . . . A 92 GLN NE2 . 11544 1
697 . 1 1 93 93 LEU H H 1 7.420 0.03 . 1 . . . A 93 LEU H . 11544 1
698 . 1 1 93 93 LEU HA H 1 4.043 0.03 . 1 . . . A 93 LEU HA . 11544 1
699 . 1 1 93 93 LEU HB2 H 1 1.321 0.03 . 2 . . . A 93 LEU HB2 . 11544 1
700 . 1 1 93 93 LEU HB3 H 1 1.990 0.03 . 2 . . . A 93 LEU HB3 . 11544 1
701 . 1 1 93 93 LEU HG H 1 1.651 0.03 . 1 . . . A 93 LEU HG . 11544 1
702 . 1 1 93 93 LEU HD21 H 1 0.924 0.03 . 1 . . . A 93 LEU HD21 . 11544 1
703 . 1 1 93 93 LEU HD22 H 1 0.924 0.03 . 1 . . . A 93 LEU HD22 . 11544 1
704 . 1 1 93 93 LEU HD23 H 1 0.924 0.03 . 1 . . . A 93 LEU HD23 . 11544 1
705 . 1 1 93 93 LEU C C 13 177.682 0.100 . 1 . . . A 93 LEU C . 11544 1
706 . 1 1 93 93 LEU CA C 13 56.610 0.100 . 1 . . . A 93 LEU CA . 11544 1
707 . 1 1 93 93 LEU CB C 13 41.278 0.100 . 1 . . . A 93 LEU CB . 11544 1
708 . 1 1 93 93 LEU CG C 13 27.418 0.100 . 1 . . . A 93 LEU CG . 11544 1
709 . 1 1 93 93 LEU CD2 C 13 22.577 0.100 . 1 . . . A 93 LEU CD2 . 11544 1
710 . 1 1 93 93 LEU N N 15 118.742 0.3 . 1 . . . A 93 LEU N . 11544 1
711 . 1 1 94 94 LEU H H 1 7.435 0.03 . 1 . . . A 94 LEU H . 11544 1
712 . 1 1 94 94 LEU HA H 1 4.204 0.03 . 1 . . . A 94 LEU HA . 11544 1
713 . 1 1 94 94 LEU HB2 H 1 1.933 0.03 . 2 . . . A 94 LEU HB2 . 11544 1
714 . 1 1 94 94 LEU HB3 H 1 1.427 0.03 . 2 . . . A 94 LEU HB3 . 11544 1
715 . 1 1 94 94 LEU HG H 1 2.040 0.03 . 1 . . . A 94 LEU HG . 11544 1
716 . 1 1 94 94 LEU HD11 H 1 0.652 0.03 . 1 . . . A 94 LEU HD11 . 11544 1
717 . 1 1 94 94 LEU HD12 H 1 0.652 0.03 . 1 . . . A 94 LEU HD12 . 11544 1
718 . 1 1 94 94 LEU HD13 H 1 0.652 0.03 . 1 . . . A 94 LEU HD13 . 11544 1
719 . 1 1 94 94 LEU C C 13 176.496 0.100 . 1 . . . A 94 LEU C . 11544 1
720 . 1 1 94 94 LEU CA C 13 56.030 0.100 . 1 . . . A 94 LEU CA . 11544 1
721 . 1 1 94 94 LEU CB C 13 40.178 0.100 . 1 . . . A 94 LEU CB . 11544 1
722 . 1 1 94 94 LEU CG C 13 26.069 0.100 . 1 . . . A 94 LEU CG . 11544 1
723 . 1 1 94 94 LEU CD1 C 13 22.629 0.100 . 1 . . . A 94 LEU CD1 . 11544 1
724 . 1 1 94 94 LEU N N 15 116.258 0.3 . 1 . . . A 94 LEU N . 11544 1
725 . 1 1 95 95 SER H H 1 7.288 0.03 . 1 . . . A 95 SER H . 11544 1
726 . 1 1 95 95 SER HA H 1 4.530 0.03 . 1 . . . A 95 SER HA . 11544 1
727 . 1 1 95 95 SER HB2 H 1 3.913 0.03 . 2 . . . A 95 SER HB2 . 11544 1
728 . 1 1 95 95 SER HB3 H 1 3.948 0.03 . 2 . . . A 95 SER HB3 . 11544 1
729 . 1 1 95 95 SER C C 13 174.281 0.100 . 1 . . . A 95 SER C . 11544 1
730 . 1 1 95 95 SER CA C 13 57.554 0.100 . 1 . . . A 95 SER CA . 11544 1
731 . 1 1 95 95 SER CB C 13 63.762 0.100 . 1 . . . A 95 SER CB . 11544 1
732 . 1 1 95 95 SER N N 15 110.771 0.3 . 1 . . . A 95 SER N . 11544 1
733 . 1 1 96 96 SER H H 1 7.442 0.03 . 1 . . . A 96 SER H . 11544 1
734 . 1 1 96 96 SER HA H 1 4.424 0.03 . 1 . . . A 96 SER HA . 11544 1
735 . 1 1 96 96 SER HB2 H 1 4.072 0.03 . 2 . . . A 96 SER HB2 . 11544 1
736 . 1 1 96 96 SER HB3 H 1 4.081 0.03 . 2 . . . A 96 SER HB3 . 11544 1
737 . 1 1 96 96 SER CA C 13 56.800 0.100 . 1 . . . A 96 SER CA . 11544 1
738 . 1 1 96 96 SER CB C 13 64.905 0.100 . 1 . . . A 96 SER CB . 11544 1
739 . 1 1 96 96 SER N N 15 118.412 0.3 . 1 . . . A 96 SER N . 11544 1
740 . 1 1 97 97 PRO HA H 1 4.345 0.03 . 1 . . . A 97 PRO HA . 11544 1
741 . 1 1 97 97 PRO HB2 H 1 1.973 0.03 . 2 . . . A 97 PRO HB2 . 11544 1
742 . 1 1 97 97 PRO HB3 H 1 2.219 0.03 . 2 . . . A 97 PRO HB3 . 11544 1
743 . 1 1 97 97 PRO HG2 H 1 1.989 0.03 . 2 . . . A 97 PRO HG2 . 11544 1
744 . 1 1 97 97 PRO HG3 H 1 1.907 0.03 . 2 . . . A 97 PRO HG3 . 11544 1
745 . 1 1 97 97 PRO HD2 H 1 3.781 0.03 . 2 . . . A 97 PRO HD2 . 11544 1
746 . 1 1 97 97 PRO HD3 H 1 3.799 0.03 . 2 . . . A 97 PRO HD3 . 11544 1
747 . 1 1 97 97 PRO C C 13 176.399 0.100 . 1 . . . A 97 PRO C . 11544 1
748 . 1 1 97 97 PRO CA C 13 63.124 0.100 . 1 . . . A 97 PRO CA . 11544 1
749 . 1 1 97 97 PRO CB C 13 31.810 0.100 . 1 . . . A 97 PRO CB . 11544 1
750 . 1 1 97 97 PRO CG C 13 26.722 0.100 . 1 . . . A 97 PRO CG . 11544 1
751 . 1 1 97 97 PRO CD C 13 50.717 0.100 . 1 . . . A 97 PRO CD . 11544 1
752 . 1 1 98 98 ASN H H 1 8.184 0.03 . 1 . . . A 98 ASN H . 11544 1
753 . 1 1 98 98 ASN HA H 1 4.604 0.03 . 1 . . . A 98 ASN HA . 11544 1
754 . 1 1 98 98 ASN HB2 H 1 2.567 0.03 . 2 . . . A 98 ASN HB2 . 11544 1
755 . 1 1 98 98 ASN HB3 H 1 2.963 0.03 . 2 . . . A 98 ASN HB3 . 11544 1
756 . 1 1 98 98 ASN HD21 H 1 7.044 0.03 . 1 . . . A 98 ASN HD21 . 11544 1
757 . 1 1 98 98 ASN HD22 H 1 7.664 0.03 . 1 . . . A 98 ASN HD22 . 11544 1
758 . 1 1 98 98 ASN C C 13 175.066 0.100 . 1 . . . A 98 ASN C . 11544 1
759 . 1 1 98 98 ASN CA C 13 52.456 0.100 . 1 . . . A 98 ASN CA . 11544 1
760 . 1 1 98 98 ASN CB C 13 38.662 0.100 . 1 . . . A 98 ASN CB . 11544 1
761 . 1 1 98 98 ASN N N 15 120.061 0.3 . 1 . . . A 98 ASN N . 11544 1
762 . 1 1 98 98 ASN ND2 N 15 113.506 0.3 . 1 . . . A 98 ASN ND2 . 11544 1
763 . 1 1 99 99 GLU H H 1 8.826 0.03 . 1 . . . A 99 GLU H . 11544 1
764 . 1 1 99 99 GLU HA H 1 3.850 0.03 . 1 . . . A 99 GLU HA . 11544 1
765 . 1 1 99 99 GLU HB2 H 1 1.967 0.03 . 2 . . . A 99 GLU HB2 . 11544 1
766 . 1 1 99 99 GLU HB3 H 1 1.946 0.03 . 2 . . . A 99 GLU HB3 . 11544 1
767 . 1 1 99 99 GLU HG2 H 1 2.338 0.03 . 2 . . . A 99 GLU HG2 . 11544 1
768 . 1 1 99 99 GLU HG3 H 1 2.122 0.03 . 2 . . . A 99 GLU HG3 . 11544 1
769 . 1 1 99 99 GLU C C 13 177.831 0.100 . 1 . . . A 99 GLU C . 11544 1
770 . 1 1 99 99 GLU CA C 13 59.785 0.100 . 1 . . . A 99 GLU CA . 11544 1
771 . 1 1 99 99 GLU CB C 13 29.876 0.100 . 1 . . . A 99 GLU CB . 11544 1
772 . 1 1 99 99 GLU CG C 13 37.387 0.100 . 1 . . . A 99 GLU CG . 11544 1
773 . 1 1 99 99 GLU N N 15 125.999 0.3 . 1 . . . A 99 GLU N . 11544 1
774 . 1 1 100 100 GLN H H 1 8.074 0.03 . 1 . . . A 100 GLN H . 11544 1
775 . 1 1 100 100 GLN HA H 1 4.052 0.03 . 1 . . . A 100 GLN HA . 11544 1
776 . 1 1 100 100 GLN HB2 H 1 2.071 0.03 . 2 . . . A 100 GLN HB2 . 11544 1
777 . 1 1 100 100 GLN HB3 H 1 2.119 0.03 . 2 . . . A 100 GLN HB3 . 11544 1
778 . 1 1 100 100 GLN HG2 H 1 2.335 0.03 . 2 . . . A 100 GLN HG2 . 11544 1
779 . 1 1 100 100 GLN HG3 H 1 2.360 0.03 . 2 . . . A 100 GLN HG3 . 11544 1
780 . 1 1 100 100 GLN HE21 H 1 6.710 0.03 . 1 . . . A 100 GLN HE21 . 11544 1
781 . 1 1 100 100 GLN HE22 H 1 7.621 0.03 . 1 . . . A 100 GLN HE22 . 11544 1
782 . 1 1 100 100 GLN C C 13 178.500 0.100 . 1 . . . A 100 GLN C . 11544 1
783 . 1 1 100 100 GLN CA C 13 59.257 0.100 . 1 . . . A 100 GLN CA . 11544 1
784 . 1 1 100 100 GLN CB C 13 28.108 0.100 . 1 . . . A 100 GLN CB . 11544 1
785 . 1 1 100 100 GLN CG C 13 34.394 0.100 . 1 . . . A 100 GLN CG . 11544 1
786 . 1 1 100 100 GLN N N 15 119.108 0.3 . 1 . . . A 100 GLN N . 11544 1
787 . 1 1 100 100 GLN NE2 N 15 112.192 0.3 . 1 . . . A 100 GLN NE2 . 11544 1
788 . 1 1 101 101 ILE H H 1 7.169 0.03 . 1 . . . A 101 ILE H . 11544 1
789 . 1 1 101 101 ILE HA H 1 3.468 0.03 . 1 . . . A 101 ILE HA . 11544 1
790 . 1 1 101 101 ILE HB H 1 2.003 0.03 . 1 . . . A 101 ILE HB . 11544 1
791 . 1 1 101 101 ILE HG13 H 1 0.918 0.03 . 1 . . . A 101 ILE HG13 . 11544 1
792 . 1 1 101 101 ILE HG21 H 1 0.859 0.03 . 1 . . . A 101 ILE HG21 . 11544 1
793 . 1 1 101 101 ILE HG22 H 1 0.859 0.03 . 1 . . . A 101 ILE HG22 . 11544 1
794 . 1 1 101 101 ILE HG23 H 1 0.859 0.03 . 1 . . . A 101 ILE HG23 . 11544 1
795 . 1 1 101 101 ILE HD11 H 1 0.784 0.03 . 1 . . . A 101 ILE HD11 . 11544 1
796 . 1 1 101 101 ILE HD12 H 1 0.784 0.03 . 1 . . . A 101 ILE HD12 . 11544 1
797 . 1 1 101 101 ILE HD13 H 1 0.784 0.03 . 1 . . . A 101 ILE HD13 . 11544 1
798 . 1 1 101 101 ILE C C 13 176.899 0.100 . 1 . . . A 101 ILE C . 11544 1
799 . 1 1 101 101 ILE CA C 13 64.053 0.100 . 1 . . . A 101 ILE CA . 11544 1
800 . 1 1 101 101 ILE CB C 13 37.103 0.100 . 1 . . . A 101 ILE CB . 11544 1
801 . 1 1 101 101 ILE CG1 C 13 29.050 0.100 . 1 . . . A 101 ILE CG1 . 11544 1
802 . 1 1 101 101 ILE CG2 C 13 18.017 0.100 . 1 . . . A 101 ILE CG2 . 11544 1
803 . 1 1 101 101 ILE CD1 C 13 12.193 0.100 . 1 . . . A 101 ILE CD1 . 11544 1
804 . 1 1 101 101 ILE N N 15 121.213 0.3 . 1 . . . A 101 ILE N . 11544 1
805 . 1 1 102 102 LEU H H 1 8.045 0.03 . 1 . . . A 102 LEU H . 11544 1
806 . 1 1 102 102 LEU HA H 1 3.891 0.03 . 1 . . . A 102 LEU HA . 11544 1
807 . 1 1 102 102 LEU HB2 H 1 1.479 0.03 . 2 . . . A 102 LEU HB2 . 11544 1
808 . 1 1 102 102 LEU HB3 H 1 1.785 0.03 . 2 . . . A 102 LEU HB3 . 11544 1
809 . 1 1 102 102 LEU HG H 1 1.745 0.03 . 1 . . . A 102 LEU HG . 11544 1
810 . 1 1 102 102 LEU HD11 H 1 0.894 0.03 . 2 . . . A 102 LEU HD11 . 11544 1
811 . 1 1 102 102 LEU HD12 H 1 0.894 0.03 . 2 . . . A 102 LEU HD12 . 11544 1
812 . 1 1 102 102 LEU HD13 H 1 0.894 0.03 . 2 . . . A 102 LEU HD13 . 11544 1
813 . 1 1 102 102 LEU HD21 H 1 0.934 0.03 . 2 . . . A 102 LEU HD21 . 11544 1
814 . 1 1 102 102 LEU HD22 H 1 0.934 0.03 . 2 . . . A 102 LEU HD22 . 11544 1
815 . 1 1 102 102 LEU HD23 H 1 0.934 0.03 . 2 . . . A 102 LEU HD23 . 11544 1
816 . 1 1 102 102 LEU C C 13 178.805 0.100 . 1 . . . A 102 LEU C . 11544 1
817 . 1 1 102 102 LEU CA C 13 59.066 0.100 . 1 . . . A 102 LEU CA . 11544 1
818 . 1 1 102 102 LEU CB C 13 43.313 0.100 . 1 . . . A 102 LEU CB . 11544 1
819 . 1 1 102 102 LEU CG C 13 28.009 0.100 . 1 . . . A 102 LEU CG . 11544 1
820 . 1 1 102 102 LEU CD1 C 13 24.733 0.100 . 2 . . . A 102 LEU CD1 . 11544 1
821 . 1 1 102 102 LEU CD2 C 13 26.219 0.100 . 2 . . . A 102 LEU CD2 . 11544 1
822 . 1 1 102 102 LEU N N 15 120.515 0.3 . 1 . . . A 102 LEU N . 11544 1
823 . 1 1 103 103 GLN H H 1 7.970 0.03 . 1 . . . A 103 GLN H . 11544 1
824 . 1 1 103 103 GLN HA H 1 3.544 0.03 . 1 . . . A 103 GLN HA . 11544 1
825 . 1 1 103 103 GLN HB2 H 1 1.853 0.03 . 2 . . . A 103 GLN HB2 . 11544 1
826 . 1 1 103 103 GLN HB3 H 1 1.922 0.03 . 2 . . . A 103 GLN HB3 . 11544 1
827 . 1 1 103 103 GLN HG2 H 1 1.836 0.03 . 2 . . . A 103 GLN HG2 . 11544 1
828 . 1 1 103 103 GLN HG3 H 1 1.936 0.03 . 2 . . . A 103 GLN HG3 . 11544 1
829 . 1 1 103 103 GLN HE21 H 1 6.444 0.03 . 1 . . . A 103 GLN HE21 . 11544 1
830 . 1 1 103 103 GLN HE22 H 1 7.139 0.03 . 1 . . . A 103 GLN HE22 . 11544 1
831 . 1 1 103 103 GLN C C 13 177.670 0.100 . 1 . . . A 103 GLN C . 11544 1
832 . 1 1 103 103 GLN CA C 13 59.763 0.100 . 1 . . . A 103 GLN CA . 11544 1
833 . 1 1 103 103 GLN CB C 13 28.827 0.100 . 1 . . . A 103 GLN CB . 11544 1
834 . 1 1 103 103 GLN CG C 13 34.631 0.100 . 1 . . . A 103 GLN CG . 11544 1
835 . 1 1 103 103 GLN N N 15 115.716 0.3 . 1 . . . A 103 GLN N . 11544 1
836 . 1 1 103 103 GLN NE2 N 15 110.271 0.3 . 1 . . . A 103 GLN NE2 . 11544 1
837 . 1 1 104 104 GLU H H 1 7.611 0.03 . 1 . . . A 104 GLU H . 11544 1
838 . 1 1 104 104 GLU HA H 1 4.116 0.03 . 1 . . . A 104 GLU HA . 11544 1
839 . 1 1 104 104 GLU HB2 H 1 1.998 0.03 . 2 . . . A 104 GLU HB2 . 11544 1
840 . 1 1 104 104 GLU HB3 H 1 2.056 0.03 . 2 . . . A 104 GLU HB3 . 11544 1
841 . 1 1 104 104 GLU HG2 H 1 2.298 0.03 . 2 . . . A 104 GLU HG2 . 11544 1
842 . 1 1 104 104 GLU HG3 H 1 2.356 0.03 . 2 . . . A 104 GLU HG3 . 11544 1
843 . 1 1 104 104 GLU C C 13 179.213 0.100 . 1 . . . A 104 GLU C . 11544 1
844 . 1 1 104 104 GLU CA C 13 58.996 0.100 . 1 . . . A 104 GLU CA . 11544 1
845 . 1 1 104 104 GLU CB C 13 29.456 0.100 . 1 . . . A 104 GLU CB . 11544 1
846 . 1 1 104 104 GLU CG C 13 35.990 0.100 . 1 . . . A 104 GLU CG . 11544 1
847 . 1 1 104 104 GLU N N 15 118.694 0.3 . 1 . . . A 104 GLU N . 11544 1
848 . 1 1 105 105 ALA H H 1 8.694 0.03 . 1 . . . A 105 ALA H . 11544 1
849 . 1 1 105 105 ALA HA H 1 3.956 0.03 . 1 . . . A 105 ALA HA . 11544 1
850 . 1 1 105 105 ALA HB1 H 1 1.377 0.03 . 1 . . . A 105 ALA HB1 . 11544 1
851 . 1 1 105 105 ALA HB2 H 1 1.377 0.03 . 1 . . . A 105 ALA HB2 . 11544 1
852 . 1 1 105 105 ALA HB3 H 1 1.377 0.03 . 1 . . . A 105 ALA HB3 . 11544 1
853 . 1 1 105 105 ALA C C 13 179.055 0.100 . 1 . . . A 105 ALA C . 11544 1
854 . 1 1 105 105 ALA CA C 13 55.513 0.100 . 1 . . . A 105 ALA CA . 11544 1
855 . 1 1 105 105 ALA CB C 13 18.333 0.100 . 1 . . . A 105 ALA CB . 11544 1
856 . 1 1 105 105 ALA N N 15 123.471 0.3 . 1 . . . A 105 ALA N . 11544 1
857 . 1 1 106 106 LEU H H 1 8.351 0.03 . 1 . . . A 106 LEU H . 11544 1
858 . 1 1 106 106 LEU HA H 1 3.838 0.03 . 1 . . . A 106 LEU HA . 11544 1
859 . 1 1 106 106 LEU HB2 H 1 1.622 0.03 . 1 . . . A 106 LEU HB2 . 11544 1
860 . 1 1 106 106 LEU HG H 1 1.523 0.03 . 1 . . . A 106 LEU HG . 11544 1
861 . 1 1 106 106 LEU C C 13 178.843 0.100 . 1 . . . A 106 LEU C . 11544 1
862 . 1 1 106 106 LEU CA C 13 58.099 0.100 . 1 . . . A 106 LEU CA . 11544 1
863 . 1 1 106 106 LEU CB C 13 41.999 0.100 . 1 . . . A 106 LEU CB . 11544 1
864 . 1 1 106 106 LEU CG C 13 26.958 0.100 . 1 . . . A 106 LEU CG . 11544 1
865 . 1 1 106 106 LEU N N 15 118.884 0.3 . 1 . . . A 106 LEU N . 11544 1
866 . 1 1 107 107 TRP H H 1 8.381 0.03 . 1 . . . A 107 TRP H . 11544 1
867 . 1 1 107 107 TRP HA H 1 4.406 0.03 . 1 . . . A 107 TRP HA . 11544 1
868 . 1 1 107 107 TRP HB2 H 1 3.270 0.03 . 2 . . . A 107 TRP HB2 . 11544 1
869 . 1 1 107 107 TRP HB3 H 1 3.394 0.03 . 2 . . . A 107 TRP HB3 . 11544 1
870 . 1 1 107 107 TRP HE1 H 1 10.001 0.03 . 1 . . . A 107 TRP HE1 . 11544 1
871 . 1 1 107 107 TRP C C 13 178.806 0.100 . 1 . . . A 107 TRP C . 11544 1
872 . 1 1 107 107 TRP CA C 13 59.919 0.100 . 1 . . . A 107 TRP CA . 11544 1
873 . 1 1 107 107 TRP CB C 13 28.786 0.100 . 1 . . . A 107 TRP CB . 11544 1
874 . 1 1 107 107 TRP N N 15 121.423 0.3 . 1 . . . A 107 TRP N . 11544 1
875 . 1 1 107 107 TRP NE1 N 15 128.855 0.3 . 1 . . . A 107 TRP NE1 . 11544 1
876 . 1 1 108 108 ALA H H 1 8.120 0.03 . 1 . . . A 108 ALA H . 11544 1
877 . 1 1 108 108 ALA HA H 1 3.942 0.03 . 1 . . . A 108 ALA HA . 11544 1
878 . 1 1 108 108 ALA HB1 H 1 1.362 0.03 . 1 . . . A 108 ALA HB1 . 11544 1
879 . 1 1 108 108 ALA HB2 H 1 1.362 0.03 . 1 . . . A 108 ALA HB2 . 11544 1
880 . 1 1 108 108 ALA HB3 H 1 1.362 0.03 . 1 . . . A 108 ALA HB3 . 11544 1
881 . 1 1 108 108 ALA C C 13 179.683 0.100 . 1 . . . A 108 ALA C . 11544 1
882 . 1 1 108 108 ALA CA C 13 55.576 0.100 . 1 . . . A 108 ALA CA . 11544 1
883 . 1 1 108 108 ALA CB C 13 17.600 0.100 . 1 . . . A 108 ALA CB . 11544 1
884 . 1 1 108 108 ALA N N 15 121.259 0.3 . 1 . . . A 108 ALA N . 11544 1
885 . 1 1 109 109 LEU H H 1 8.305 0.03 . 1 . . . A 109 LEU H . 11544 1
886 . 1 1 109 109 LEU HA H 1 3.678 0.03 . 1 . . . A 109 LEU HA . 11544 1
887 . 1 1 109 109 LEU HB2 H 1 1.761 0.03 . 2 . . . A 109 LEU HB2 . 11544 1
888 . 1 1 109 109 LEU HB3 H 1 1.411 0.03 . 2 . . . A 109 LEU HB3 . 11544 1
889 . 1 1 109 109 LEU HG H 1 1.626 0.03 . 1 . . . A 109 LEU HG . 11544 1
890 . 1 1 109 109 LEU HD21 H 1 0.703 0.03 . 1 . . . A 109 LEU HD21 . 11544 1
891 . 1 1 109 109 LEU HD22 H 1 0.703 0.03 . 1 . . . A 109 LEU HD22 . 11544 1
892 . 1 1 109 109 LEU HD23 H 1 0.703 0.03 . 1 . . . A 109 LEU HD23 . 11544 1
893 . 1 1 109 109 LEU C C 13 178.478 0.100 . 1 . . . A 109 LEU C . 11544 1
894 . 1 1 109 109 LEU CA C 13 58.334 0.100 . 1 . . . A 109 LEU CA . 11544 1
895 . 1 1 109 109 LEU CB C 13 42.421 0.100 . 1 . . . A 109 LEU CB . 11544 1
896 . 1 1 109 109 LEU CG C 13 26.967 0.100 . 1 . . . A 109 LEU CG . 11544 1
897 . 1 1 109 109 LEU CD2 C 13 24.879 0.100 . 1 . . . A 109 LEU CD2 . 11544 1
898 . 1 1 109 109 LEU N N 15 117.266 0.3 . 1 . . . A 109 LEU N . 11544 1
899 . 1 1 110 110 SER H H 1 8.644 0.03 . 1 . . . A 110 SER H . 11544 1
900 . 1 1 110 110 SER HA H 1 3.851 0.03 . 1 . . . A 110 SER HA . 11544 1
901 . 1 1 110 110 SER HB2 H 1 4.078 0.03 . 2 . . . A 110 SER HB2 . 11544 1
902 . 1 1 110 110 SER HB3 H 1 3.841 0.03 . 2 . . . A 110 SER HB3 . 11544 1
903 . 1 1 110 110 SER C C 13 176.906 0.100 . 1 . . . A 110 SER C . 11544 1
904 . 1 1 110 110 SER CA C 13 61.886 0.100 . 1 . . . A 110 SER CA . 11544 1
905 . 1 1 110 110 SER CB C 13 62.979 0.100 . 1 . . . A 110 SER CB . 11544 1
906 . 1 1 110 110 SER N N 15 114.672 0.3 . 1 . . . A 110 SER N . 11544 1
907 . 1 1 111 111 ASN H H 1 7.871 0.03 . 1 . . . A 111 ASN H . 11544 1
908 . 1 1 111 111 ASN HA H 1 4.183 0.03 . 1 . . . A 111 ASN HA . 11544 1
909 . 1 1 111 111 ASN HB2 H 1 2.383 0.03 . 2 . . . A 111 ASN HB2 . 11544 1
910 . 1 1 111 111 ASN HB3 H 1 2.485 0.03 . 2 . . . A 111 ASN HB3 . 11544 1
911 . 1 1 111 111 ASN HD21 H 1 6.782 0.03 . 1 . . . A 111 ASN HD21 . 11544 1
912 . 1 1 111 111 ASN HD22 H 1 6.782 0.03 . 1 . . . A 111 ASN HD22 . 11544 1
913 . 1 1 111 111 ASN C C 13 177.550 0.100 . 1 . . . A 111 ASN C . 11544 1
914 . 1 1 111 111 ASN CA C 13 56.082 0.100 . 1 . . . A 111 ASN CA . 11544 1
915 . 1 1 111 111 ASN CB C 13 38.144 0.100 . 1 . . . A 111 ASN CB . 11544 1
916 . 1 1 111 111 ASN N N 15 119.625 0.3 . 1 . . . A 111 ASN N . 11544 1
917 . 1 1 111 111 ASN ND2 N 15 110.655 0.3 . 1 . . . A 111 ASN ND2 . 11544 1
918 . 1 1 112 112 ILE H H 1 7.786 0.03 . 1 . . . A 112 ILE H . 11544 1
919 . 1 1 112 112 ILE HA H 1 3.577 0.03 . 1 . . . A 112 ILE HA . 11544 1
920 . 1 1 112 112 ILE HB H 1 1.766 0.03 . 1 . . . A 112 ILE HB . 11544 1
921 . 1 1 112 112 ILE HG12 H 1 1.443 0.03 . 1 . . . A 112 ILE HG12 . 11544 1
922 . 1 1 112 112 ILE HG21 H 1 0.650 0.03 . 1 . . . A 112 ILE HG21 . 11544 1
923 . 1 1 112 112 ILE HG22 H 1 0.650 0.03 . 1 . . . A 112 ILE HG22 . 11544 1
924 . 1 1 112 112 ILE HG23 H 1 0.650 0.03 . 1 . . . A 112 ILE HG23 . 11544 1
925 . 1 1 112 112 ILE HD11 H 1 0.499 0.03 . 1 . . . A 112 ILE HD11 . 11544 1
926 . 1 1 112 112 ILE HD12 H 1 0.499 0.03 . 1 . . . A 112 ILE HD12 . 11544 1
927 . 1 1 112 112 ILE HD13 H 1 0.499 0.03 . 1 . . . A 112 ILE HD13 . 11544 1
928 . 1 1 112 112 ILE C C 13 176.110 0.100 . 1 . . . A 112 ILE C . 11544 1
929 . 1 1 112 112 ILE CA C 13 64.820 0.100 . 1 . . . A 112 ILE CA . 11544 1
930 . 1 1 112 112 ILE CB C 13 37.984 0.100 . 1 . . . A 112 ILE CB . 11544 1
931 . 1 1 112 112 ILE CG1 C 13 29.694 0.100 . 1 . . . A 112 ILE CG1 . 11544 1
932 . 1 1 112 112 ILE CG2 C 13 17.052 0.100 . 1 . . . A 112 ILE CG2 . 11544 1
933 . 1 1 112 112 ILE CD1 C 13 13.490 0.100 . 1 . . . A 112 ILE CD1 . 11544 1
934 . 1 1 112 112 ILE N N 15 120.153 0.3 . 1 . . . A 112 ILE N . 11544 1
935 . 1 1 113 113 ALA H H 1 7.815 0.03 . 1 . . . A 113 ALA H . 11544 1
936 . 1 1 113 113 ALA HA H 1 3.860 0.03 . 1 . . . A 113 ALA HA . 11544 1
937 . 1 1 113 113 ALA HB1 H 1 1.202 0.03 . 1 . . . A 113 ALA HB1 . 11544 1
938 . 1 1 113 113 ALA HB2 H 1 1.202 0.03 . 1 . . . A 113 ALA HB2 . 11544 1
939 . 1 1 113 113 ALA HB3 H 1 1.202 0.03 . 1 . . . A 113 ALA HB3 . 11544 1
940 . 1 1 113 113 ALA C C 13 176.623 0.100 . 1 . . . A 113 ALA C . 11544 1
941 . 1 1 113 113 ALA CA C 13 53.051 0.100 . 1 . . . A 113 ALA CA . 11544 1
942 . 1 1 113 113 ALA CB C 13 18.214 0.100 . 1 . . . A 113 ALA CB . 11544 1
943 . 1 1 113 113 ALA N N 15 118.382 0.3 . 1 . . . A 113 ALA N . 11544 1
944 . 1 1 114 114 SER H H 1 7.410 0.03 . 1 . . . A 114 SER H . 11544 1
945 . 1 1 114 114 SER HA H 1 4.253 0.03 . 1 . . . A 114 SER HA . 11544 1
946 . 1 1 114 114 SER HB2 H 1 3.730 0.03 . 2 . . . A 114 SER HB2 . 11544 1
947 . 1 1 114 114 SER HB3 H 1 3.871 0.03 . 2 . . . A 114 SER HB3 . 11544 1
948 . 1 1 114 114 SER C C 13 174.610 0.100 . 1 . . . A 114 SER C . 11544 1
949 . 1 1 114 114 SER CA C 13 58.883 0.100 . 1 . . . A 114 SER CA . 11544 1
950 . 1 1 114 114 SER CB C 13 64.369 0.100 . 1 . . . A 114 SER CB . 11544 1
951 . 1 1 114 114 SER N N 15 110.726 0.3 . 1 . . . A 114 SER N . 11544 1
952 . 1 1 115 115 GLY H H 1 7.673 0.03 . 1 . . . A 115 GLY H . 11544 1
953 . 1 1 115 115 GLY HA2 H 1 3.594 0.03 . 2 . . . A 115 GLY HA2 . 11544 1
954 . 1 1 115 115 GLY HA3 H 1 3.700 0.03 . 2 . . . A 115 GLY HA3 . 11544 1
955 . 1 1 115 115 GLY CA C 13 46.724 0.100 . 1 . . . A 115 GLY CA . 11544 1
956 . 1 1 115 115 GLY N N 15 116.061 0.3 . 1 . . . A 115 GLY N . 11544 1
stop_
save_
###################################
# 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_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 11544
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
3 '3D HNCO' . . . 11544 2
16 '2D 1H-15N HSQC' . . . 11544 2
17 '2D 1H-13C HSQC aliphatic' . . . 11544 2
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 . 2 2 4 4 GLN H H 1 7.771 0.03 . 1 . . . B 119 GLN H . 11544 2
2 . 2 2 4 4 GLN HA H 1 3.983 0.03 . 1 . . . B 119 GLN HA . 11544 2
3 . 2 2 4 4 GLN HB2 H 1 1.916 0.03 . 1 . . . B 119 GLN HB2 . 11544 2
4 . 2 2 4 4 GLN HB3 H 1 1.916 0.03 . 1 . . . B 119 GLN HB3 . 11544 2
5 . 2 2 4 4 GLN HG2 H 1 2.292 0.03 . 2 . . . B 119 GLN HG2 . 11544 2
6 . 2 2 4 4 GLN HG3 H 1 2.292 0.03 . 2 . . . B 119 GLN HG3 . 11544 2
7 . 2 2 4 4 GLN CA C 13 60.010 0.100 . 1 . . . B 119 GLN CA . 11544 2
8 . 2 2 4 4 GLN CB C 13 27.322 0.100 . 1 . . . B 119 GLN CB . 11544 2
9 . 2 2 4 4 GLN CG C 13 36.837 0.100 . 1 . . . B 119 GLN CG . 11544 2
10 . 2 2 4 4 GLN N N 15 120.089 0.3 . 1 . . . B 119 GLN N . 11544 2
11 . 2 2 5 5 ILE H H 1 7.724 0.03 . 1 . . . B 120 ILE H . 11544 2
12 . 2 2 5 5 ILE HA H 1 3.351 0.03 . 1 . . . B 120 ILE HA . 11544 2
13 . 2 2 5 5 ILE HB H 1 1.813 0.03 . 1 . . . B 120 ILE HB . 11544 2
14 . 2 2 5 5 ILE HG12 H 1 0.863 0.03 . 2 . . . B 120 ILE HG12 . 11544 2
15 . 2 2 5 5 ILE HG13 H 1 0.840 0.03 . 2 . . . B 120 ILE HG13 . 11544 2
16 . 2 2 5 5 ILE HG21 H 1 0.903 0.03 . 1 . . . B 120 ILE HG21 . 11544 2
17 . 2 2 5 5 ILE HG22 H 1 0.903 0.03 . 1 . . . B 120 ILE HG22 . 11544 2
18 . 2 2 5 5 ILE HG23 H 1 0.903 0.03 . 1 . . . B 120 ILE HG23 . 11544 2
19 . 2 2 5 5 ILE HD11 H 1 0.806 0.03 . 1 . . . B 120 ILE HD11 . 11544 2
20 . 2 2 5 5 ILE HD12 H 1 0.806 0.03 . 1 . . . B 120 ILE HD12 . 11544 2
21 . 2 2 5 5 ILE HD13 H 1 0.806 0.03 . 1 . . . B 120 ILE HD13 . 11544 2
22 . 2 2 5 5 ILE CA C 13 65.849 0.100 . 1 . . . B 120 ILE CA . 11544 2
23 . 2 2 5 5 ILE CB C 13 37.956 0.100 . 1 . . . B 120 ILE CB . 11544 2
24 . 2 2 5 5 ILE CG1 C 13 29.819 0.007 . 1 . . . B 120 ILE CG1 . 11544 2
25 . 2 2 5 5 ILE CG2 C 13 19.488 0.100 . 1 . . . B 120 ILE CG2 . 11544 2
26 . 2 2 5 5 ILE CD1 C 13 13.381 0.100 . 1 . . . B 120 ILE CD1 . 11544 2
27 . 2 2 5 5 ILE N N 15 118.367 0.3 . 1 . . . B 120 ILE N . 11544 2
28 . 2 2 6 6 GLN H H 1 8.306 0.03 . 1 . . . B 121 GLN H . 11544 2
29 . 2 2 6 6 GLN HA H 1 3.898 0.03 . 1 . . . B 121 GLN HA . 11544 2
30 . 2 2 6 6 GLN HB2 H 1 2.026 0.03 . 2 . . . B 121 GLN HB2 . 11544 2
31 . 2 2 6 6 GLN HB3 H 1 1.965 0.03 . 2 . . . B 121 GLN HB3 . 11544 2
32 . 2 2 6 6 GLN HG2 H 1 1.826 0.03 . 2 . . . B 121 GLN HG2 . 11544 2
33 . 2 2 6 6 GLN HG3 H 1 1.955 0.03 . 2 . . . B 121 GLN HG3 . 11544 2
34 . 2 2 6 6 GLN HE21 H 1 6.994 0.03 . 1 . . . B 121 GLN HE21 . 11544 2
35 . 2 2 6 6 GLN HE22 H 1 6.455 0.03 . 1 . . . B 121 GLN HE22 . 11544 2
36 . 2 2 6 6 GLN CA C 13 58.073 0.100 . 1 . . . B 121 GLN CA . 11544 2
37 . 2 2 6 6 GLN CB C 13 27.635 0.048 . 1 . . . B 121 GLN CB . 11544 2
38 . 2 2 6 6 GLN CG C 13 33.020 0.190 . 1 . . . B 121 GLN CG . 11544 2
39 . 2 2 6 6 GLN N N 15 118.582 0.3 . 1 . . . B 121 GLN N . 11544 2
40 . 2 2 6 6 GLN NE2 N 15 109.442 0.001 . 1 . . . B 121 GLN NE2 . 11544 2
41 . 2 2 7 7 ALA H H 1 7.527 0.03 . 1 . . . B 122 ALA H . 11544 2
42 . 2 2 7 7 ALA HA H 1 4.124 0.03 . 1 . . . B 122 ALA HA . 11544 2
43 . 2 2 7 7 ALA HB1 H 1 1.438 0.03 . 1 . . . B 122 ALA HB1 . 11544 2
44 . 2 2 7 7 ALA HB2 H 1 1.438 0.03 . 1 . . . B 122 ALA HB2 . 11544 2
45 . 2 2 7 7 ALA HB3 H 1 1.438 0.03 . 1 . . . B 122 ALA HB3 . 11544 2
46 . 2 2 7 7 ALA CA C 13 55.250 0.100 . 1 . . . B 122 ALA CA . 11544 2
47 . 2 2 7 7 ALA CB C 13 17.623 0.100 . 1 . . . B 122 ALA CB . 11544 2
48 . 2 2 7 7 ALA N N 15 120.431 0.3 . 1 . . . B 122 ALA N . 11544 2
49 . 2 2 8 8 VAL H H 1 7.646 0.03 . 1 . . . B 123 VAL H . 11544 2
50 . 2 2 8 8 VAL HA H 1 3.343 0.03 . 1 . . . B 123 VAL HA . 11544 2
51 . 2 2 8 8 VAL HB H 1 2.309 0.03 . 1 . . . B 123 VAL HB . 11544 2
52 . 2 2 8 8 VAL HG11 H 1 0.707 0.03 . 2 . . . B 123 VAL HG11 . 11544 2
53 . 2 2 8 8 VAL HG12 H 1 0.707 0.03 . 2 . . . B 123 VAL HG12 . 11544 2
54 . 2 2 8 8 VAL HG13 H 1 0.707 0.03 . 2 . . . B 123 VAL HG13 . 11544 2
55 . 2 2 8 8 VAL HG21 H 1 0.927 0.03 . 2 . . . B 123 VAL HG21 . 11544 2
56 . 2 2 8 8 VAL HG22 H 1 0.927 0.03 . 2 . . . B 123 VAL HG22 . 11544 2
57 . 2 2 8 8 VAL HG23 H 1 0.927 0.03 . 2 . . . B 123 VAL HG23 . 11544 2
58 . 2 2 8 8 VAL CA C 13 67.239 0.100 . 1 . . . B 123 VAL CA . 11544 2
59 . 2 2 8 8 VAL CB C 13 31.191 0.100 . 1 . . . B 123 VAL CB . 11544 2
60 . 2 2 8 8 VAL CG1 C 13 21.620 0.100 . 2 . . . B 123 VAL CG1 . 11544 2
61 . 2 2 8 8 VAL CG2 C 13 23.199 0.100 . 2 . . . B 123 VAL CG2 . 11544 2
62 . 2 2 8 8 VAL N N 15 118.605 0.3 . 1 . . . B 123 VAL N . 11544 2
63 . 2 2 9 9 ILE H H 1 7.900 0.03 . 1 . . . B 124 ILE H . 11544 2
64 . 2 2 9 9 ILE HA H 1 3.498 0.03 . 1 . . . B 124 ILE HA . 11544 2
65 . 2 2 9 9 ILE HB H 1 1.968 0.03 . 1 . . . B 124 ILE HB . 11544 2
66 . 2 2 9 9 ILE HG21 H 1 0.872 0.03 . 1 . . . B 124 ILE HG21 . 11544 2
67 . 2 2 9 9 ILE HG22 H 1 0.872 0.03 . 1 . . . B 124 ILE HG22 . 11544 2
68 . 2 2 9 9 ILE HG23 H 1 0.872 0.03 . 1 . . . B 124 ILE HG23 . 11544 2
69 . 2 2 9 9 ILE HD11 H 1 0.757 0.03 . 1 . . . B 124 ILE HD11 . 11544 2
70 . 2 2 9 9 ILE HD12 H 1 0.757 0.03 . 1 . . . B 124 ILE HD12 . 11544 2
71 . 2 2 9 9 ILE HD13 H 1 0.757 0.03 . 1 . . . B 124 ILE HD13 . 11544 2
72 . 2 2 9 9 ILE CA C 13 65.354 0.100 . 1 . . . B 124 ILE CA . 11544 2
73 . 2 2 9 9 ILE CB C 13 37.895 0.100 . 1 . . . B 124 ILE CB . 11544 2
74 . 2 2 9 9 ILE CG2 C 13 16.386 0.100 . 1 . . . B 124 ILE CG2 . 11544 2
75 . 2 2 9 9 ILE CD1 C 13 14.112 0.100 . 1 . . . B 124 ILE CD1 . 11544 2
76 . 2 2 9 9 ILE N N 15 120.145 0.3 . 1 . . . B 124 ILE N . 11544 2
77 . 2 2 10 10 ASP H H 1 9.325 0.03 . 1 . . . B 125 ASP H . 11544 2
78 . 2 2 10 10 ASP HA H 1 4.345 0.03 . 1 . . . B 125 ASP HA . 11544 2
79 . 2 2 10 10 ASP HB2 H 1 2.661 0.03 . 2 . . . B 125 ASP HB2 . 11544 2
80 . 2 2 10 10 ASP HB3 H 1 2.729 0.03 . 2 . . . B 125 ASP HB3 . 11544 2
81 . 2 2 10 10 ASP CA C 13 57.175 0.100 . 1 . . . B 125 ASP CA . 11544 2
82 . 2 2 10 10 ASP CB C 13 39.869 0.030 . 1 . . . B 125 ASP CB . 11544 2
83 . 2 2 10 10 ASP N N 15 123.273 0.3 . 1 . . . B 125 ASP N . 11544 2
84 . 2 2 11 11 ALA H H 1 7.386 0.03 . 1 . . . B 126 ALA H . 11544 2
85 . 2 2 11 11 ALA HA H 1 4.286 0.03 . 1 . . . B 126 ALA HA . 11544 2
86 . 2 2 11 11 ALA HB1 H 1 1.309 0.03 . 1 . . . B 126 ALA HB1 . 11544 2
87 . 2 2 11 11 ALA HB2 H 1 1.309 0.03 . 1 . . . B 126 ALA HB2 . 11544 2
88 . 2 2 11 11 ALA HB3 H 1 1.309 0.03 . 1 . . . B 126 ALA HB3 . 11544 2
89 . 2 2 11 11 ALA CA C 13 52.241 0.100 . 1 . . . B 126 ALA CA . 11544 2
90 . 2 2 11 11 ALA CB C 13 19.199 0.100 . 1 . . . B 126 ALA CB . 11544 2
91 . 2 2 11 11 ALA N N 15 119.321 0.3 . 1 . . . B 126 ALA N . 11544 2
92 . 2 2 12 12 GLY H H 1 7.989 0.03 . 1 . . . B 127 GLY H . 11544 2
93 . 2 2 12 12 GLY HA2 H 1 3.911 0.03 . 2 . . . B 127 GLY HA2 . 11544 2
94 . 2 2 12 12 GLY HA3 H 1 4.167 0.03 . 2 . . . B 127 GLY HA3 . 11544 2
95 . 2 2 12 12 GLY CA C 13 45.453 0.046 . 1 . . . B 127 GLY CA . 11544 2
96 . 2 2 12 12 GLY N N 15 103.860 0.3 . 1 . . . B 127 GLY N . 11544 2
97 . 2 2 13 13 ALA H H 1 6.992 0.03 . 1 . . . B 128 ALA H . 11544 2
98 . 2 2 13 13 ALA HA H 1 3.728 0.03 . 1 . . . B 128 ALA HA . 11544 2
99 . 2 2 13 13 ALA HB1 H 1 1.086 0.03 . 1 . . . B 128 ALA HB1 . 11544 2
100 . 2 2 13 13 ALA HB2 H 1 1.086 0.03 . 1 . . . B 128 ALA HB2 . 11544 2
101 . 2 2 13 13 ALA HB3 H 1 1.086 0.03 . 1 . . . B 128 ALA HB3 . 11544 2
102 . 2 2 13 13 ALA CA C 13 55.107 0.100 . 1 . . . B 128 ALA CA . 11544 2
103 . 2 2 13 13 ALA CB C 13 20.409 0.100 . 1 . . . B 128 ALA CB . 11544 2
104 . 2 2 13 13 ALA N N 15 116.928 0.3 . 1 . . . B 128 ALA N . 11544 2
105 . 2 2 14 14 LEU H H 1 9.301 0.03 . 1 . . . B 129 LEU H . 11544 2
106 . 2 2 14 14 LEU HA H 1 3.964 0.03 . 1 . . . B 129 LEU HA . 11544 2
107 . 2 2 14 14 LEU HB2 H 1 2.125 0.03 . 2 . . . B 129 LEU HB2 . 11544 2
108 . 2 2 14 14 LEU HB3 H 1 2.084 0.03 . 2 . . . B 129 LEU HB3 . 11544 2
109 . 2 2 14 14 LEU HG H 1 1.353 0.03 . 1 . . . B 129 LEU HG . 11544 2
110 . 2 2 14 14 LEU HD21 H 1 0.713 0.03 . 1 . . . B 129 LEU HD21 . 11544 2
111 . 2 2 14 14 LEU HD22 H 1 0.713 0.03 . 1 . . . B 129 LEU HD22 . 11544 2
112 . 2 2 14 14 LEU HD23 H 1 0.713 0.03 . 1 . . . B 129 LEU HD23 . 11544 2
113 . 2 2 14 14 LEU CA C 13 60.234 0.100 . 1 . . . B 129 LEU CA . 11544 2
114 . 2 2 14 14 LEU CB C 13 38.495 0.100 . 1 . . . B 129 LEU CB . 11544 2
115 . 2 2 14 14 LEU CG C 13 29.700 0.100 . 1 . . . B 129 LEU CG . 11544 2
116 . 2 2 14 14 LEU CD2 C 13 25.840 0.100 . 1 . . . B 129 LEU CD2 . 11544 2
117 . 2 2 14 14 LEU N N 15 112.835 0.3 . 1 . . . B 129 LEU N . 11544 2
118 . 2 2 15 15 PRO HA H 1 4.235 0.03 . 1 . . . B 130 PRO HA . 11544 2
119 . 2 2 15 15 PRO HB2 H 1 1.817 0.03 . 2 . . . B 130 PRO HB2 . 11544 2
120 . 2 2 15 15 PRO HB3 H 1 2.288 0.03 . 2 . . . B 130 PRO HB3 . 11544 2
121 . 2 2 15 15 PRO HG2 H 1 2.141 0.03 . 1 . . . B 130 PRO HG2 . 11544 2
122 . 2 2 15 15 PRO HD2 H 1 3.692 0.03 . 2 . . . B 130 PRO HD2 . 11544 2
123 . 2 2 15 15 PRO HD3 H 1 3.501 0.03 . 2 . . . B 130 PRO HD3 . 11544 2
124 . 2 2 15 15 PRO CA C 13 65.983 0.100 . 1 . . . B 130 PRO CA . 11544 2
125 . 2 2 15 15 PRO CB C 13 30.704 0.020 . 1 . . . B 130 PRO CB . 11544 2
126 . 2 2 15 15 PRO CG C 13 28.099 0.100 . 1 . . . B 130 PRO CG . 11544 2
127 . 2 2 15 15 PRO CD C 13 49.314 0.032 . 1 . . . B 130 PRO CD . 11544 2
128 . 2 2 16 16 ALA H H 1 6.557 0.03 . 1 . . . B 131 ALA H . 11544 2
129 . 2 2 16 16 ALA HA H 1 4.067 0.03 . 1 . . . B 131 ALA HA . 11544 2
130 . 2 2 16 16 ALA HB1 H 1 1.333 0.03 . 1 . . . B 131 ALA HB1 . 11544 2
131 . 2 2 16 16 ALA HB2 H 1 1.333 0.03 . 1 . . . B 131 ALA HB2 . 11544 2
132 . 2 2 16 16 ALA HB3 H 1 1.333 0.03 . 1 . . . B 131 ALA HB3 . 11544 2
133 . 2 2 16 16 ALA C C 13 179.823 0.100 . 1 . . . B 131 ALA C . 11544 2
134 . 2 2 16 16 ALA CA C 13 54.496 0.100 . 1 . . . B 131 ALA CA . 11544 2
135 . 2 2 16 16 ALA CB C 13 19.310 0.100 . 1 . . . B 131 ALA CB . 11544 2
136 . 2 2 16 16 ALA N N 15 118.116 0.3 . 1 . . . B 131 ALA N . 11544 2
137 . 2 2 17 17 LEU H H 1 8.196 0.03 . 1 . . . B 132 LEU H . 11544 2
138 . 2 2 17 17 LEU HA H 1 3.729 0.03 . 1 . . . B 132 LEU HA . 11544 2
139 . 2 2 17 17 LEU HB2 H 1 1.636 0.03 . 2 . . . B 132 LEU HB2 . 11544 2
140 . 2 2 17 17 LEU HB3 H 1 1.538 0.03 . 2 . . . B 132 LEU HB3 . 11544 2
141 . 2 2 17 17 LEU HG H 1 1.597 0.03 . 1 . . . B 132 LEU HG . 11544 2
142 . 2 2 17 17 LEU HD21 H 1 0.782 0.03 . 1 . . . B 132 LEU HD21 . 11544 2
143 . 2 2 17 17 LEU HD22 H 1 0.782 0.03 . 1 . . . B 132 LEU HD22 . 11544 2
144 . 2 2 17 17 LEU HD23 H 1 0.782 0.03 . 1 . . . B 132 LEU HD23 . 11544 2
145 . 2 2 17 17 LEU C C 13 178.348 0.100 . 1 . . . B 132 LEU C . 11544 2
146 . 2 2 17 17 LEU CA C 13 58.187 0.100 . 1 . . . B 132 LEU CA . 11544 2
147 . 2 2 17 17 LEU CB C 13 42.213 0.029 . 1 . . . B 132 LEU CB . 11544 2
148 . 2 2 17 17 LEU CG C 13 26.930 0.100 . 1 . . . B 132 LEU CG . 11544 2
149 . 2 2 17 17 LEU CD2 C 13 25.209 0.100 . 1 . . . B 132 LEU CD2 . 11544 2
150 . 2 2 17 17 LEU N N 15 117.860 0.3 . 1 . . . B 132 LEU N . 11544 2
151 . 2 2 18 18 VAL H H 1 8.308 0.03 . 1 . . . B 133 VAL H . 11544 2
152 . 2 2 18 18 VAL HA H 1 3.315 0.03 . 1 . . . B 133 VAL HA . 11544 2
153 . 2 2 18 18 VAL HB H 1 2.011 0.03 . 1 . . . B 133 VAL HB . 11544 2
154 . 2 2 18 18 VAL HG11 H 1 0.789 0.03 . 2 . . . B 133 VAL HG11 . 11544 2
155 . 2 2 18 18 VAL HG12 H 1 0.789 0.03 . 2 . . . B 133 VAL HG12 . 11544 2
156 . 2 2 18 18 VAL HG13 H 1 0.789 0.03 . 2 . . . B 133 VAL HG13 . 11544 2
157 . 2 2 18 18 VAL HG21 H 1 0.750 0.03 . 2 . . . B 133 VAL HG21 . 11544 2
158 . 2 2 18 18 VAL HG22 H 1 0.750 0.03 . 2 . . . B 133 VAL HG22 . 11544 2
159 . 2 2 18 18 VAL HG23 H 1 0.750 0.03 . 2 . . . B 133 VAL HG23 . 11544 2
160 . 2 2 18 18 VAL C C 13 179.456 0.100 . 1 . . . B 133 VAL C . 11544 2
161 . 2 2 18 18 VAL CA C 13 67.013 0.100 . 1 . . . B 133 VAL CA . 11544 2
162 . 2 2 18 18 VAL CB C 13 31.207 0.100 . 1 . . . B 133 VAL CB . 11544 2
163 . 2 2 18 18 VAL CG1 C 13 23.730 0.100 . 2 . . . B 133 VAL CG1 . 11544 2
164 . 2 2 18 18 VAL CG2 C 13 21.630 0.100 . 2 . . . B 133 VAL CG2 . 11544 2
165 . 2 2 18 18 VAL N N 15 115.968 0.3 . 1 . . . B 133 VAL N . 11544 2
166 . 2 2 19 19 GLN H H 1 7.650 0.03 . 1 . . . B 134 GLN H . 11544 2
167 . 2 2 19 19 GLN HA H 1 3.976 0.03 . 1 . . . B 134 GLN HA . 11544 2
168 . 2 2 19 19 GLN HB2 H 1 2.132 0.03 . 2 . . . B 134 GLN HB2 . 11544 2
169 . 2 2 19 19 GLN HB3 H 1 2.104 0.03 . 2 . . . B 134 GLN HB3 . 11544 2
170 . 2 2 19 19 GLN HG2 H 1 2.357 0.03 . 2 . . . B 134 GLN HG2 . 11544 2
171 . 2 2 19 19 GLN HG3 H 1 2.396 0.03 . 2 . . . B 134 GLN HG3 . 11544 2
172 . 2 2 19 19 GLN HE21 H 1 7.331 0.03 . 1 . . . B 134 GLN HE21 . 11544 2
173 . 2 2 19 19 GLN HE22 H 1 6.741 0.03 . 1 . . . B 134 GLN HE22 . 11544 2
174 . 2 2 19 19 GLN C C 13 179.109 0.100 . 1 . . . B 134 GLN C . 11544 2
175 . 2 2 19 19 GLN CA C 13 58.882 0.100 . 1 . . . B 134 GLN CA . 11544 2
176 . 2 2 19 19 GLN CB C 13 28.015 0.100 . 1 . . . B 134 GLN CB . 11544 2
177 . 2 2 19 19 GLN CG C 13 33.751 0.005 . 1 . . . B 134 GLN CG . 11544 2
178 . 2 2 19 19 GLN N N 15 119.382 0.3 . 1 . . . B 134 GLN N . 11544 2
179 . 2 2 19 19 GLN NE2 N 15 111.555 0.002 . 1 . . . B 134 GLN NE2 . 11544 2
180 . 2 2 20 20 LEU H H 1 7.526 0.03 . 1 . . . B 135 LEU H . 11544 2
181 . 2 2 20 20 LEU HA H 1 4.036 0.03 . 1 . . . B 135 LEU HA . 11544 2
182 . 2 2 20 20 LEU HB2 H 1 1.304 0.03 . 2 . . . B 135 LEU HB2 . 11544 2
183 . 2 2 20 20 LEU HB3 H 1 1.982 0.03 . 2 . . . B 135 LEU HB3 . 11544 2
184 . 2 2 20 20 LEU HG H 1 0.942 0.03 . 1 . . . B 135 LEU HG . 11544 2
185 . 2 2 20 20 LEU HD11 H 1 0.931 0.03 . 1 . . . B 135 LEU HD11 . 11544 2
186 . 2 2 20 20 LEU HD12 H 1 0.931 0.03 . 1 . . . B 135 LEU HD12 . 11544 2
187 . 2 2 20 20 LEU HD13 H 1 0.931 0.03 . 1 . . . B 135 LEU HD13 . 11544 2
188 . 2 2 20 20 LEU C C 13 177.605 0.100 . 1 . . . B 135 LEU C . 11544 2
189 . 2 2 20 20 LEU CA C 13 56.578 0.100 . 1 . . . B 135 LEU CA . 11544 2
190 . 2 2 20 20 LEU CB C 13 41.334 0.004 . 1 . . . B 135 LEU CB . 11544 2
191 . 2 2 20 20 LEU CG C 13 27.395 0.100 . 1 . . . B 135 LEU CG . 11544 2
192 . 2 2 20 20 LEU CD1 C 13 22.507 0.100 . 1 . . . B 135 LEU CD1 . 11544 2
193 . 2 2 20 20 LEU N N 15 119.052 0.3 . 1 . . . B 135 LEU N . 11544 2
194 . 2 2 21 21 LEU H H 1 7.384 0.03 . 1 . . . B 136 LEU H . 11544 2
195 . 2 2 21 21 LEU HA H 1 4.174 0.03 . 1 . . . B 136 LEU HA . 11544 2
196 . 2 2 21 21 LEU HB2 H 1 1.410 0.03 . 2 . . . B 136 LEU HB2 . 11544 2
197 . 2 2 21 21 LEU HB3 H 1 1.965 0.03 . 2 . . . B 136 LEU HB3 . 11544 2
198 . 2 2 21 21 LEU HG H 1 2.010 0.03 . 1 . . . B 136 LEU HG . 11544 2
199 . 2 2 21 21 LEU HD11 H 1 0.608 0.03 . 2 . . . B 136 LEU HD11 . 11544 2
200 . 2 2 21 21 LEU HD12 H 1 0.608 0.03 . 2 . . . B 136 LEU HD12 . 11544 2
201 . 2 2 21 21 LEU HD13 H 1 0.608 0.03 . 2 . . . B 136 LEU HD13 . 11544 2
202 . 2 2 21 21 LEU HD21 H 1 0.604 0.03 . 2 . . . B 136 LEU HD21 . 11544 2
203 . 2 2 21 21 LEU HD22 H 1 0.604 0.03 . 2 . . . B 136 LEU HD22 . 11544 2
204 . 2 2 21 21 LEU HD23 H 1 0.604 0.03 . 2 . . . B 136 LEU HD23 . 11544 2
205 . 2 2 21 21 LEU C C 13 176.560 0.100 . 1 . . . B 136 LEU C . 11544 2
206 . 2 2 21 21 LEU CA C 13 56.059 0.100 . 1 . . . B 136 LEU CA . 11544 2
207 . 2 2 21 21 LEU CB C 13 40.460 0.017 . 1 . . . B 136 LEU CB . 11544 2
208 . 2 2 21 21 LEU CG C 13 25.926 0.100 . 1 . . . B 136 LEU CG . 11544 2
209 . 2 2 21 21 LEU CD1 C 13 22.013 0.100 . 2 . . . B 136 LEU CD1 . 11544 2
210 . 2 2 21 21 LEU CD2 C 13 22.075 0.100 . 2 . . . B 136 LEU CD2 . 11544 2
211 . 2 2 21 21 LEU N N 15 116.122 0.3 . 1 . . . B 136 LEU N . 11544 2
212 . 2 2 22 22 SER H H 1 7.325 0.03 . 1 . . . B 137 SER H . 11544 2
213 . 2 2 22 22 SER HA H 1 4.639 0.03 . 1 . . . B 137 SER HA . 11544 2
214 . 2 2 22 22 SER HB2 H 1 3.848 0.03 . 2 . . . B 137 SER HB2 . 11544 2
215 . 2 2 22 22 SER HB3 H 1 3.995 0.03 . 2 . . . B 137 SER HB3 . 11544 2
216 . 2 2 22 22 SER C C 13 174.084 0.100 . 1 . . . B 137 SER C . 11544 2
217 . 2 2 22 22 SER CA C 13 57.553 0.100 . 1 . . . B 137 SER CA . 11544 2
218 . 2 2 22 22 SER CB C 13 63.662 0.100 . 1 . . . B 137 SER CB . 11544 2
219 . 2 2 22 22 SER N N 15 110.496 0.3 . 1 . . . B 137 SER N . 11544 2
220 . 2 2 23 23 SER H H 1 7.464 0.03 . 1 . . . B 138 SER H . 11544 2
221 . 2 2 23 23 SER HA H 1 4.445 0.03 . 1 . . . B 138 SER HA . 11544 2
222 . 2 2 23 23 SER HB2 H 1 4.088 0.03 . 2 . . . B 138 SER HB2 . 11544 2
223 . 2 2 23 23 SER HB3 H 1 3.671 0.03 . 2 . . . B 138 SER HB3 . 11544 2
224 . 2 2 23 23 SER CA C 13 56.863 0.100 . 1 . . . B 138 SER CA . 11544 2
225 . 2 2 23 23 SER CB C 13 64.917 0.024 . 1 . . . B 138 SER CB . 11544 2
226 . 2 2 23 23 SER N N 15 117.773 0.3 . 1 . . . B 138 SER N . 11544 2
227 . 2 2 24 24 PRO HA H 1 4.529 0.03 . 1 . . . B 139 PRO HA . 11544 2
228 . 2 2 24 24 PRO HB2 H 1 2.247 0.03 . 1 . . . B 139 PRO HB2 . 11544 2
229 . 2 2 24 24 PRO HB3 H 1 2.247 0.03 . 1 . . . B 139 PRO HB3 . 11544 2
230 . 2 2 24 24 PRO HG2 H 1 1.959 0.03 . 2 . . . B 139 PRO HG2 . 11544 2
231 . 2 2 24 24 PRO HG3 H 1 2.002 0.03 . 2 . . . B 139 PRO HG3 . 11544 2
232 . 2 2 24 24 PRO HD2 H 1 3.889 0.03 . 2 . . . B 139 PRO HD2 . 11544 2
233 . 2 2 24 24 PRO HD3 H 1 3.796 0.03 . 2 . . . B 139 PRO HD3 . 11544 2
234 . 2 2 24 24 PRO CA C 13 63.263 0.100 . 1 . . . B 139 PRO CA . 11544 2
235 . 2 2 24 24 PRO CB C 13 31.874 0.100 . 1 . . . B 139 PRO CB . 11544 2
236 . 2 2 24 24 PRO CG C 13 26.719 0.025 . 1 . . . B 139 PRO CG . 11544 2
237 . 2 2 24 24 PRO CD C 13 50.918 0.002 . 1 . . . B 139 PRO CD . 11544 2
238 . 2 2 25 25 ASN H H 1 8.224 0.03 . 1 . . . B 140 ASN H . 11544 2
239 . 2 2 25 25 ASN HA H 1 4.638 0.03 . 1 . . . B 140 ASN HA . 11544 2
240 . 2 2 25 25 ASN HB2 H 1 2.609 0.03 . 2 . . . B 140 ASN HB2 . 11544 2
241 . 2 2 25 25 ASN HB3 H 1 2.961 0.03 . 2 . . . B 140 ASN HB3 . 11544 2
242 . 2 2 25 25 ASN HD21 H 1 7.719 0.03 . 1 . . . B 140 ASN HD21 . 11544 2
243 . 2 2 25 25 ASN HD22 H 1 7.053 0.03 . 1 . . . B 140 ASN HD22 . 11544 2
244 . 2 2 25 25 ASN C C 13 175.085 0.100 . 1 . . . B 140 ASN C . 11544 2
245 . 2 2 25 25 ASN CA C 13 52.435 0.100 . 1 . . . B 140 ASN CA . 11544 2
246 . 2 2 25 25 ASN CB C 13 38.611 0.012 . 1 . . . B 140 ASN CB . 11544 2
247 . 2 2 25 25 ASN N N 15 119.885 0.3 . 1 . . . B 140 ASN N . 11544 2
248 . 2 2 25 25 ASN ND2 N 15 113.509 0.3 . 1 . . . B 140 ASN ND2 . 11544 2
249 . 2 2 26 26 GLU H H 1 8.908 0.03 . 1 . . . B 141 GLU H . 11544 2
250 . 2 2 26 26 GLU HA H 1 3.829 0.03 . 1 . . . B 141 GLU HA . 11544 2
251 . 2 2 26 26 GLU HB2 H 1 1.993 0.03 . 2 . . . B 141 GLU HB2 . 11544 2
252 . 2 2 26 26 GLU HB3 H 1 1.953 0.03 . 2 . . . B 141 GLU HB3 . 11544 2
253 . 2 2 26 26 GLU HG2 H 1 2.163 0.03 . 2 . . . B 141 GLU HG2 . 11544 2
254 . 2 2 26 26 GLU HG3 H 1 2.444 0.03 . 2 . . . B 141 GLU HG3 . 11544 2
255 . 2 2 26 26 GLU C C 13 177.837 0.100 . 1 . . . B 141 GLU C . 11544 2
256 . 2 2 26 26 GLU CA C 13 59.723 0.100 . 1 . . . B 141 GLU CA . 11544 2
257 . 2 2 26 26 GLU CB C 13 28.195 0.100 . 1 . . . B 141 GLU CB . 11544 2
258 . 2 2 26 26 GLU CG C 13 33.777 0.022 . 1 . . . B 141 GLU CG . 11544 2
259 . 2 2 26 26 GLU N N 15 125.937 0.3 . 1 . . . B 141 GLU N . 11544 2
260 . 2 2 27 27 GLN H H 1 8.120 0.03 . 1 . . . B 142 GLN H . 11544 2
261 . 2 2 27 27 GLN HA H 1 4.011 0.03 . 1 . . . B 142 GLN HA . 11544 2
262 . 2 2 27 27 GLN HB2 H 1 2.124 0.03 . 2 . . . B 142 GLN HB2 . 11544 2
263 . 2 2 27 27 GLN HB3 H 1 2.038 0.03 . 2 . . . B 142 GLN HB3 . 11544 2
264 . 2 2 27 27 GLN HG2 H 1 2.327 0.03 . 2 . . . B 142 GLN HG2 . 11544 2
265 . 2 2 27 27 GLN HG3 H 1 2.378 0.03 . 2 . . . B 142 GLN HG3 . 11544 2
266 . 2 2 27 27 GLN HE21 H 1 6.774 0.03 . 1 . . . B 142 GLN HE21 . 11544 2
267 . 2 2 27 27 GLN HE22 H 1 7.605 0.03 . 1 . . . B 142 GLN HE22 . 11544 2
268 . 2 2 27 27 GLN C C 13 178.488 0.100 . 1 . . . B 142 GLN C . 11544 2
269 . 2 2 27 27 GLN CA C 13 59.265 0.100 . 1 . . . B 142 GLN CA . 11544 2
270 . 2 2 27 27 GLN CB C 13 28.013 0.100 . 1 . . . B 142 GLN CB . 11544 2
271 . 2 2 27 27 GLN CG C 13 34.484 0.006 . 1 . . . B 142 GLN CG . 11544 2
272 . 2 2 27 27 GLN N N 15 118.940 0.3 . 1 . . . B 142 GLN N . 11544 2
273 . 2 2 27 27 GLN NE2 N 15 112.141 0.005 . 1 . . . B 142 GLN NE2 . 11544 2
274 . 2 2 28 28 ILE H H 1 7.234 0.03 . 1 . . . B 143 ILE H . 11544 2
275 . 2 2 28 28 ILE HA H 1 3.429 0.03 . 1 . . . B 143 ILE HA . 11544 2
276 . 2 2 28 28 ILE HB H 1 2.004 0.03 . 1 . . . B 143 ILE HB . 11544 2
277 . 2 2 28 28 ILE HG12 H 1 1.462 0.03 . 2 . . . B 143 ILE HG12 . 11544 2
278 . 2 2 28 28 ILE HG13 H 1 0.859 0.03 . 2 . . . B 143 ILE HG13 . 11544 2
279 . 2 2 28 28 ILE HG21 H 1 0.861 0.03 . 1 . . . B 143 ILE HG21 . 11544 2
280 . 2 2 28 28 ILE HG22 H 1 0.861 0.03 . 1 . . . B 143 ILE HG22 . 11544 2
281 . 2 2 28 28 ILE HG23 H 1 0.861 0.03 . 1 . . . B 143 ILE HG23 . 11544 2
282 . 2 2 28 28 ILE HD11 H 1 0.827 0.03 . 1 . . . B 143 ILE HD11 . 11544 2
283 . 2 2 28 28 ILE HD12 H 1 0.827 0.03 . 1 . . . B 143 ILE HD12 . 11544 2
284 . 2 2 28 28 ILE HD13 H 1 0.827 0.03 . 1 . . . B 143 ILE HD13 . 11544 2
285 . 2 2 28 28 ILE C C 13 177.835 0.100 . 1 . . . B 143 ILE C . 11544 2
286 . 2 2 28 28 ILE CA C 13 64.394 0.100 . 1 . . . B 143 ILE CA . 11544 2
287 . 2 2 28 28 ILE CB C 13 37.090 0.100 . 1 . . . B 143 ILE CB . 11544 2
288 . 2 2 28 28 ILE CG1 C 13 29.240 0.016 . 1 . . . B 143 ILE CG1 . 11544 2
289 . 2 2 28 28 ILE CG2 C 13 18.064 0.100 . 1 . . . B 143 ILE CG2 . 11544 2
290 . 2 2 28 28 ILE CD1 C 13 12.446 0.100 . 1 . . . B 143 ILE CD1 . 11544 2
291 . 2 2 28 28 ILE N N 15 121.110 0.3 . 1 . . . B 143 ILE N . 11544 2
292 . 2 2 29 29 LEU H H 1 8.090 0.03 . 1 . . . B 144 LEU H . 11544 2
293 . 2 2 29 29 LEU HA H 1 3.868 0.03 . 1 . . . B 144 LEU HA . 11544 2
294 . 2 2 29 29 LEU HB2 H 1 1.785 0.03 . 2 . . . B 144 LEU HB2 . 11544 2
295 . 2 2 29 29 LEU HB3 H 1 1.458 0.03 . 2 . . . B 144 LEU HB3 . 11544 2
296 . 2 2 29 29 LEU HG H 1 1.682 0.03 . 1 . . . B 144 LEU HG . 11544 2
297 . 2 2 29 29 LEU HD11 H 1 0.887 0.03 . 2 . . . B 144 LEU HD11 . 11544 2
298 . 2 2 29 29 LEU HD12 H 1 0.887 0.03 . 2 . . . B 144 LEU HD12 . 11544 2
299 . 2 2 29 29 LEU HD13 H 1 0.887 0.03 . 2 . . . B 144 LEU HD13 . 11544 2
300 . 2 2 29 29 LEU HD21 H 1 0.781 0.03 . 2 . . . B 144 LEU HD21 . 11544 2
301 . 2 2 29 29 LEU HD22 H 1 0.781 0.03 . 2 . . . B 144 LEU HD22 . 11544 2
302 . 2 2 29 29 LEU HD23 H 1 0.781 0.03 . 2 . . . B 144 LEU HD23 . 11544 2
303 . 2 2 29 29 LEU C C 13 178.860 0.100 . 1 . . . B 144 LEU C . 11544 2
304 . 2 2 29 29 LEU CA C 13 59.228 0.100 . 1 . . . B 144 LEU CA . 11544 2
305 . 2 2 29 29 LEU CB C 13 43.172 0.004 . 1 . . . B 144 LEU CB . 11544 2
306 . 2 2 29 29 LEU CG C 13 28.199 0.100 . 1 . . . B 144 LEU CG . 11544 2
307 . 2 2 29 29 LEU CD1 C 13 26.139 0.100 . 2 . . . B 144 LEU CD1 . 11544 2
308 . 2 2 29 29 LEU CD2 C 13 24.681 0.100 . 2 . . . B 144 LEU CD2 . 11544 2
309 . 2 2 29 29 LEU N N 15 120.255 0.3 . 1 . . . B 144 LEU N . 11544 2
310 . 2 2 30 30 GLN H H 1 7.844 0.03 . 1 . . . B 145 GLN H . 11544 2
311 . 2 2 30 30 GLN HA H 1 3.511 0.03 . 1 . . . B 145 GLN HA . 11544 2
312 . 2 2 30 30 GLN HB2 H 1 1.789 0.03 . 2 . . . B 145 GLN HB2 . 11544 2
313 . 2 2 30 30 GLN HB3 H 1 1.864 0.03 . 2 . . . B 145 GLN HB3 . 11544 2
314 . 2 2 30 30 GLN HG2 H 1 1.871 0.03 . 2 . . . B 145 GLN HG2 . 11544 2
315 . 2 2 30 30 GLN HG3 H 1 1.986 0.03 . 2 . . . B 145 GLN HG3 . 11544 2
316 . 2 2 30 30 GLN C C 13 177.635 0.100 . 1 . . . B 145 GLN C . 11544 2
317 . 2 2 30 30 GLN CA C 13 59.733 0.100 . 1 . . . B 145 GLN CA . 11544 2
318 . 2 2 30 30 GLN CB C 13 29.097 0.100 . 1 . . . B 145 GLN CB . 11544 2
319 . 2 2 30 30 GLN CG C 13 35.054 0.003 . 1 . . . B 145 GLN CG . 11544 2
320 . 2 2 30 30 GLN N N 15 115.142 0.3 . 1 . . . B 145 GLN N . 11544 2
321 . 2 2 31 31 GLU H H 1 7.653 0.03 . 1 . . . B 146 GLU H . 11544 2
322 . 2 2 31 31 GLU HA H 1 3.893 0.03 . 1 . . . B 146 GLU HA . 11544 2
323 . 2 2 31 31 GLU HB2 H 1 2.023 0.03 . 2 . . . B 146 GLU HB2 . 11544 2
324 . 2 2 31 31 GLU HB3 H 1 2.061 0.03 . 2 . . . B 146 GLU HB3 . 11544 2
325 . 2 2 31 31 GLU HG2 H 1 2.369 0.03 . 2 . . . B 146 GLU HG2 . 11544 2
326 . 2 2 31 31 GLU HG3 H 1 2.337 0.03 . 2 . . . B 146 GLU HG3 . 11544 2
327 . 2 2 31 31 GLU C C 13 179.458 0.100 . 1 . . . B 146 GLU C . 11544 2
328 . 2 2 31 31 GLU CA C 13 58.773 0.100 . 1 . . . B 146 GLU CA . 11544 2
329 . 2 2 31 31 GLU CB C 13 29.190 0.100 . 1 . . . B 146 GLU CB . 11544 2
330 . 2 2 31 31 GLU CG C 13 35.939 0.022 . 1 . . . B 146 GLU CG . 11544 2
331 . 2 2 31 31 GLU N N 15 118.768 0.3 . 1 . . . B 146 GLU N . 11544 2
332 . 2 2 32 32 ALA H H 1 8.736 0.03 . 1 . . . B 147 ALA H . 11544 2
333 . 2 2 32 32 ALA HA H 1 3.935 0.03 . 1 . . . B 147 ALA HA . 11544 2
334 . 2 2 32 32 ALA HB1 H 1 1.361 0.03 . 1 . . . B 147 ALA HB1 . 11544 2
335 . 2 2 32 32 ALA HB2 H 1 1.361 0.03 . 1 . . . B 147 ALA HB2 . 11544 2
336 . 2 2 32 32 ALA HB3 H 1 1.361 0.03 . 1 . . . B 147 ALA HB3 . 11544 2
337 . 2 2 32 32 ALA C C 13 178.918 0.100 . 1 . . . B 147 ALA C . 11544 2
338 . 2 2 32 32 ALA CA C 13 55.439 0.100 . 1 . . . B 147 ALA CA . 11544 2
339 . 2 2 32 32 ALA CB C 13 18.125 0.100 . 1 . . . B 147 ALA CB . 11544 2
340 . 2 2 32 32 ALA N N 15 123.428 0.3 . 1 . . . B 147 ALA N . 11544 2
341 . 2 2 33 33 LEU H H 1 8.305 0.03 . 1 . . . B 148 LEU H . 11544 2
342 . 2 2 33 33 LEU HA H 1 3.744 0.03 . 1 . . . B 148 LEU HA . 11544 2
343 . 2 2 33 33 LEU HB2 H 1 1.650 0.03 . 2 . . . B 148 LEU HB2 . 11544 2
344 . 2 2 33 33 LEU HB3 H 1 1.528 0.03 . 2 . . . B 148 LEU HB3 . 11544 2
345 . 2 2 33 33 LEU HG H 1 1.761 0.03 . 1 . . . B 148 LEU HG . 11544 2
346 . 2 2 33 33 LEU HD11 H 1 0.655 0.03 . 2 . . . B 148 LEU HD11 . 11544 2
347 . 2 2 33 33 LEU HD12 H 1 0.655 0.03 . 2 . . . B 148 LEU HD12 . 11544 2
348 . 2 2 33 33 LEU HD13 H 1 0.655 0.03 . 2 . . . B 148 LEU HD13 . 11544 2
349 . 2 2 33 33 LEU HD21 H 1 0.659 0.03 . 2 . . . B 148 LEU HD21 . 11544 2
350 . 2 2 33 33 LEU HD22 H 1 0.659 0.03 . 2 . . . B 148 LEU HD22 . 11544 2
351 . 2 2 33 33 LEU HD23 H 1 0.659 0.03 . 2 . . . B 148 LEU HD23 . 11544 2
352 . 2 2 33 33 LEU C C 13 178.604 0.100 . 1 . . . B 148 LEU C . 11544 2
353 . 2 2 33 33 LEU CA C 13 58.398 0.100 . 1 . . . B 148 LEU CA . 11544 2
354 . 2 2 33 33 LEU CB C 13 41.999 0.100 . 1 . . . B 148 LEU CB . 11544 2
355 . 2 2 33 33 LEU CG C 13 26.819 0.100 . 1 . . . B 148 LEU CG . 11544 2
356 . 2 2 33 33 LEU CD1 C 13 26.145 0.100 . 2 . . . B 148 LEU CD1 . 11544 2
357 . 2 2 33 33 LEU CD2 C 13 25.264 0.100 . 2 . . . B 148 LEU CD2 . 11544 2
358 . 2 2 33 33 LEU N N 15 118.962 0.3 . 1 . . . B 148 LEU N . 11544 2
359 . 2 2 34 34 TRP H H 1 8.261 0.03 . 1 . . . B 149 TRP H . 11544 2
360 . 2 2 34 34 TRP HA H 1 4.323 0.03 . 1 . . . B 149 TRP HA . 11544 2
361 . 2 2 34 34 TRP HB2 H 1 3.287 0.03 . 2 . . . B 149 TRP HB2 . 11544 2
362 . 2 2 34 34 TRP HB3 H 1 3.315 0.03 . 2 . . . B 149 TRP HB3 . 11544 2
363 . 2 2 34 34 TRP HE1 H 1 10.029 0.03 . 1 . . . B 149 TRP HE1 . 11544 2
364 . 2 2 34 34 TRP C C 13 178.713 0.100 . 1 . . . B 149 TRP C . 11544 2
365 . 2 2 34 34 TRP CA C 13 59.810 0.100 . 1 . . . B 149 TRP CA . 11544 2
366 . 2 2 34 34 TRP CB C 13 28.646 0.050 . 1 . . . B 149 TRP CB . 11544 2
367 . 2 2 34 34 TRP N N 15 120.858 0.3 . 1 . . . B 149 TRP N . 11544 2
368 . 2 2 34 34 TRP NE1 N 15 128.550 0.3 . 1 . . . B 149 TRP NE1 . 11544 2
369 . 2 2 35 35 ALA H H 1 8.225 0.03 . 1 . . . B 150 ALA H . 11544 2
370 . 2 2 35 35 ALA HA H 1 3.928 0.03 . 1 . . . B 150 ALA HA . 11544 2
371 . 2 2 35 35 ALA HB1 H 1 1.374 0.03 . 1 . . . B 150 ALA HB1 . 11544 2
372 . 2 2 35 35 ALA HB2 H 1 1.374 0.03 . 1 . . . B 150 ALA HB2 . 11544 2
373 . 2 2 35 35 ALA HB3 H 1 1.374 0.03 . 1 . . . B 150 ALA HB3 . 11544 2
374 . 2 2 35 35 ALA C C 13 180.491 0.100 . 1 . . . B 150 ALA C . 11544 2
375 . 2 2 35 35 ALA CA C 13 55.689 0.100 . 1 . . . B 150 ALA CA . 11544 2
376 . 2 2 35 35 ALA CB C 13 17.676 0.100 . 1 . . . B 150 ALA CB . 11544 2
377 . 2 2 35 35 ALA N N 15 121.268 0.3 . 1 . . . B 150 ALA N . 11544 2
378 . 2 2 36 36 LEU H H 1 8.358 0.03 . 1 . . . B 151 LEU H . 11544 2
379 . 2 2 36 36 LEU HA H 1 3.747 0.03 . 1 . . . B 151 LEU HA . 11544 2
380 . 2 2 36 36 LEU HB2 H 1 1.633 0.03 . 1 . . . B 151 LEU HB2 . 11544 2
381 . 2 2 36 36 LEU HB3 H 1 1.633 0.03 . 1 . . . B 151 LEU HB3 . 11544 2
382 . 2 2 36 36 LEU HG H 1 1.349 0.03 . 1 . . . B 151 LEU HG . 11544 2
383 . 2 2 36 36 LEU HD11 H 1 0.665 0.03 . 2 . . . B 151 LEU HD11 . 11544 2
384 . 2 2 36 36 LEU HD12 H 1 0.665 0.03 . 2 . . . B 151 LEU HD12 . 11544 2
385 . 2 2 36 36 LEU HD13 H 1 0.665 0.03 . 2 . . . B 151 LEU HD13 . 11544 2
386 . 2 2 36 36 LEU HD21 H 1 0.709 0.03 . 2 . . . B 151 LEU HD21 . 11544 2
387 . 2 2 36 36 LEU HD22 H 1 0.709 0.03 . 2 . . . B 151 LEU HD22 . 11544 2
388 . 2 2 36 36 LEU HD23 H 1 0.709 0.03 . 2 . . . B 151 LEU HD23 . 11544 2
389 . 2 2 36 36 LEU C C 13 178.468 0.100 . 1 . . . B 151 LEU C . 11544 2
390 . 2 2 36 36 LEU CA C 13 58.471 0.100 . 1 . . . B 151 LEU CA . 11544 2
391 . 2 2 36 36 LEU CB C 13 42.212 0.100 . 1 . . . B 151 LEU CB . 11544 2
392 . 2 2 36 36 LEU CG C 13 27.044 0.100 . 1 . . . B 151 LEU CG . 11544 2
393 . 2 2 36 36 LEU CD1 C 13 26.142 0.100 . 2 . . . B 151 LEU CD1 . 11544 2
394 . 2 2 36 36 LEU CD2 C 13 25.053 0.100 . 2 . . . B 151 LEU CD2 . 11544 2
395 . 2 2 36 36 LEU N N 15 117.251 0.3 . 1 . . . B 151 LEU N . 11544 2
396 . 2 2 37 37 SER H H 1 8.612 0.03 . 1 . . . B 152 SER H . 11544 2
397 . 2 2 37 37 SER HA H 1 3.804 0.03 . 1 . . . B 152 SER HA . 11544 2
398 . 2 2 37 37 SER HB2 H 1 3.854 0.03 . 2 . . . B 152 SER HB2 . 11544 2
399 . 2 2 37 37 SER HB3 H 1 3.889 0.03 . 2 . . . B 152 SER HB3 . 11544 2
400 . 2 2 37 37 SER C C 13 176.970 0.100 . 1 . . . B 152 SER C . 11544 2
401 . 2 2 37 37 SER CA C 13 61.524 0.100 . 1 . . . B 152 SER CA . 11544 2
402 . 2 2 37 37 SER CB C 13 63.261 0.100 . 1 . . . B 152 SER CB . 11544 2
403 . 2 2 37 37 SER N N 15 114.384 0.3 . 1 . . . B 152 SER N . 11544 2
404 . 2 2 38 38 ASN H H 1 7.911 0.03 . 1 . . . B 153 ASN H . 11544 2
405 . 2 2 38 38 ASN HA H 1 4.230 0.03 . 1 . . . B 153 ASN HA . 11544 2
406 . 2 2 38 38 ASN HB2 H 1 2.428 0.03 . 2 . . . B 153 ASN HB2 . 11544 2
407 . 2 2 38 38 ASN HB3 H 1 2.492 0.03 . 2 . . . B 153 ASN HB3 . 11544 2
408 . 2 2 38 38 ASN C C 13 178.479 0.100 . 1 . . . B 153 ASN C . 11544 2
409 . 2 2 38 38 ASN CA C 13 56.396 0.100 . 1 . . . B 153 ASN CA . 11544 2
410 . 2 2 38 38 ASN CB C 13 37.935 0.019 . 1 . . . B 153 ASN CB . 11544 2
411 . 2 2 38 38 ASN N N 15 118.649 0.3 . 1 . . . B 153 ASN N . 11544 2
412 . 2 2 39 39 ILE H H 1 7.954 0.03 . 1 . . . B 154 ILE H . 11544 2
413 . 2 2 39 39 ILE HA H 1 3.586 0.03 . 1 . . . B 154 ILE HA . 11544 2
414 . 2 2 39 39 ILE HB H 1 1.750 0.03 . 1 . . . B 154 ILE HB . 11544 2
415 . 2 2 39 39 ILE HG12 H 1 0.860 0.03 . 1 . . . B 154 ILE HG12 . 11544 2
416 . 2 2 39 39 ILE HG13 H 1 0.860 0.03 . 1 . . . B 154 ILE HG13 . 11544 2
417 . 2 2 39 39 ILE HG21 H 1 0.641 0.03 . 1 . . . B 154 ILE HG21 . 11544 2
418 . 2 2 39 39 ILE HG22 H 1 0.641 0.03 . 1 . . . B 154 ILE HG22 . 11544 2
419 . 2 2 39 39 ILE HG23 H 1 0.641 0.03 . 1 . . . B 154 ILE HG23 . 11544 2
420 . 2 2 39 39 ILE HD11 H 1 0.484 0.03 . 1 . . . B 154 ILE HD11 . 11544 2
421 . 2 2 39 39 ILE HD12 H 1 0.484 0.03 . 1 . . . B 154 ILE HD12 . 11544 2
422 . 2 2 39 39 ILE HD13 H 1 0.484 0.03 . 1 . . . B 154 ILE HD13 . 11544 2
423 . 2 2 39 39 ILE C C 13 177.040 0.100 . 1 . . . B 154 ILE C . 11544 2
424 . 2 2 39 39 ILE CA C 13 65.361 0.100 . 1 . . . B 154 ILE CA . 11544 2
425 . 2 2 39 39 ILE CB C 13 37.766 0.100 . 1 . . . B 154 ILE CB . 11544 2
426 . 2 2 39 39 ILE CG1 C 13 29.111 0.100 . 1 . . . B 154 ILE CG1 . 11544 2
427 . 2 2 39 39 ILE CG2 C 13 17.342 0.100 . 1 . . . B 154 ILE CG2 . 11544 2
428 . 2 2 39 39 ILE CD1 C 13 13.414 0.100 . 1 . . . B 154 ILE CD1 . 11544 2
429 . 2 2 39 39 ILE N N 15 121.866 0.3 . 1 . . . B 154 ILE N . 11544 2
430 . 2 2 40 40 ALA H H 1 8.175 0.03 . 1 . . . B 155 ALA H . 11544 2
431 . 2 2 40 40 ALA HA H 1 3.720 0.03 . 1 . . . B 155 ALA HA . 11544 2
432 . 2 2 40 40 ALA HB1 H 1 1.354 0.03 . 1 . . . B 155 ALA HB1 . 11544 2
433 . 2 2 40 40 ALA HB2 H 1 1.354 0.03 . 1 . . . B 155 ALA HB2 . 11544 2
434 . 2 2 40 40 ALA HB3 H 1 1.354 0.03 . 1 . . . B 155 ALA HB3 . 11544 2
435 . 2 2 40 40 ALA C C 13 176.320 0.100 . 1 . . . B 155 ALA C . 11544 2
436 . 2 2 40 40 ALA CA C 13 53.649 0.100 . 1 . . . B 155 ALA CA . 11544 2
437 . 2 2 40 40 ALA CB C 13 18.421 0.100 . 1 . . . B 155 ALA CB . 11544 2
438 . 2 2 40 40 ALA N N 15 118.441 0.3 . 1 . . . B 155 ALA N . 11544 2
439 . 2 2 41 41 SER H H 1 7.252 0.03 . 1 . . . B 156 SER H . 11544 2
440 . 2 2 41 41 SER HA H 1 4.347 0.03 . 1 . . . B 156 SER HA . 11544 2
441 . 2 2 41 41 SER HB2 H 1 4.033 0.03 . 2 . . . B 156 SER HB2 . 11544 2
442 . 2 2 41 41 SER HB3 H 1 3.977 0.03 . 2 . . . B 156 SER HB3 . 11544 2
443 . 2 2 41 41 SER C C 13 174.748 0.100 . 1 . . . B 156 SER C . 11544 2
444 . 2 2 41 41 SER CA C 13 59.805 0.100 . 1 . . . B 156 SER CA . 11544 2
445 . 2 2 41 41 SER CB C 13 63.706 0.100 . 1 . . . B 156 SER CB . 11544 2
446 . 2 2 41 41 SER N N 15 111.306 0.3 . 1 . . . B 156 SER N . 11544 2
447 . 2 2 42 42 GLY H H 1 7.852 0.03 . 1 . . . B 157 GLY H . 11544 2
448 . 2 2 42 42 GLY HA2 H 1 3.675 0.03 . 2 . . . B 157 GLY HA2 . 11544 2
449 . 2 2 42 42 GLY HA3 H 1 4.150 0.03 . 2 . . . B 157 GLY HA3 . 11544 2
450 . 2 2 42 42 GLY CA C 13 45.441 0.100 . 1 . . . B 157 GLY CA . 11544 2
451 . 2 2 42 42 GLY N N 15 108.201 0.3 . 1 . . . B 157 GLY N . 11544 2
452 . 2 2 43 43 GLY H H 1 7.598 0.03 . 1 . . . B 158 GLY H . 11544 2
453 . 2 2 43 43 GLY HA2 H 1 4.109 0.03 . 2 . . . B 158 GLY HA2 . 11544 2
454 . 2 2 43 43 GLY HA3 H 1 4.234 0.03 . 2 . . . B 158 GLY HA3 . 11544 2
455 . 2 2 43 43 GLY CA C 13 44.573 0.018 . 1 . . . B 158 GLY CA . 11544 2
456 . 2 2 43 43 GLY N N 15 104.418 0.3 . 1 . . . B 158 GLY N . 11544 2
457 . 2 2 46 46 GLN H H 1 7.478 0.03 . 1 . . . B 161 GLN H . 11544 2
458 . 2 2 46 46 GLN HA H 1 3.880 0.03 . 1 . . . B 161 GLN HA . 11544 2
459 . 2 2 46 46 GLN HB2 H 1 2.304 0.03 . 1 . . . B 161 GLN HB2 . 11544 2
460 . 2 2 46 46 GLN HE21 H 1 7.908 0.03 . 1 . . . B 161 GLN HE21 . 11544 2
461 . 2 2 46 46 GLN HE22 H 1 6.568 0.03 . 1 . . . B 161 GLN HE22 . 11544 2
462 . 2 2 46 46 GLN C C 13 176.686 0.100 . 1 . . . B 161 GLN C . 11544 2
463 . 2 2 46 46 GLN CA C 13 60.401 0.100 . 1 . . . B 161 GLN CA . 11544 2
464 . 2 2 46 46 GLN CB C 13 28.234 0.100 . 1 . . . B 161 GLN CB . 11544 2
465 . 2 2 46 46 GLN N N 15 121.054 0.3 . 1 . . . B 161 GLN N . 11544 2
466 . 2 2 46 46 GLN NE2 N 15 110.280 0.003 . 1 . . . B 161 GLN NE2 . 11544 2
467 . 2 2 47 47 LYS H H 1 8.185 0.03 . 1 . . . B 162 LYS H . 11544 2
468 . 2 2 47 47 LYS HA H 1 3.615 0.03 . 1 . . . B 162 LYS HA . 11544 2
469 . 2 2 47 47 LYS HB2 H 1 2.000 0.03 . 2 . . . B 162 LYS HB2 . 11544 2
470 . 2 2 47 47 LYS HB3 H 1 1.808 0.03 . 2 . . . B 162 LYS HB3 . 11544 2
471 . 2 2 47 47 LYS HG2 H 1 1.470 0.03 . 2 . . . B 162 LYS HG2 . 11544 2
472 . 2 2 47 47 LYS HG3 H 1 1.327 0.03 . 2 . . . B 162 LYS HG3 . 11544 2
473 . 2 2 47 47 LYS HD2 H 1 1.845 0.03 . 2 . . . B 162 LYS HD2 . 11544 2
474 . 2 2 47 47 LYS HD3 H 1 1.687 0.03 . 2 . . . B 162 LYS HD3 . 11544 2
475 . 2 2 47 47 LYS HE2 H 1 3.050 0.03 . 2 . . . B 162 LYS HE2 . 11544 2
476 . 2 2 47 47 LYS HE3 H 1 2.796 0.03 . 2 . . . B 162 LYS HE3 . 11544 2
477 . 2 2 47 47 LYS C C 13 178.825 0.100 . 1 . . . B 162 LYS C . 11544 2
478 . 2 2 47 47 LYS CA C 13 60.700 0.100 . 1 . . . B 162 LYS CA . 11544 2
479 . 2 2 47 47 LYS CB C 13 32.705 0.002 . 1 . . . B 162 LYS CB . 11544 2
480 . 2 2 47 47 LYS CG C 13 25.711 0.100 . 1 . . . B 162 LYS CG . 11544 2
481 . 2 2 47 47 LYS CD C 13 29.879 0.009 . 1 . . . B 162 LYS CD . 11544 2
482 . 2 2 47 47 LYS CE C 13 42.425 0.055 . 1 . . . B 162 LYS CE . 11544 2
483 . 2 2 47 47 LYS N N 15 118.858 0.3 . 1 . . . B 162 LYS N . 11544 2
484 . 2 2 48 48 GLN H H 1 8.116 0.03 . 1 . . . B 163 GLN H . 11544 2
485 . 2 2 48 48 GLN HA H 1 4.013 0.03 . 1 . . . B 163 GLN HA . 11544 2
486 . 2 2 48 48 GLN HB2 H 1 2.082 0.03 . 2 . . . B 163 GLN HB2 . 11544 2
487 . 2 2 48 48 GLN HB3 H 1 2.155 0.03 . 2 . . . B 163 GLN HB3 . 11544 2
488 . 2 2 48 48 GLN HG2 H 1 2.347 0.03 . 2 . . . B 163 GLN HG2 . 11544 2
489 . 2 2 48 48 GLN HG3 H 1 2.402 0.03 . 2 . . . B 163 GLN HG3 . 11544 2
490 . 2 2 48 48 GLN HE21 H 1 6.760 0.03 . 1 . . . B 163 GLN HE21 . 11544 2
491 . 2 2 48 48 GLN HE22 H 1 7.134 0.03 . 1 . . . B 163 GLN HE22 . 11544 2
492 . 2 2 48 48 GLN C C 13 177.727 0.100 . 1 . . . B 163 GLN C . 11544 2
493 . 2 2 48 48 GLN CA C 13 58.654 0.100 . 1 . . . B 163 GLN CA . 11544 2
494 . 2 2 48 48 GLN CB C 13 27.602 0.015 . 1 . . . B 163 GLN CB . 11544 2
495 . 2 2 48 48 GLN CG C 13 32.848 0.005 . 1 . . . B 163 GLN CG . 11544 2
496 . 2 2 48 48 GLN N N 15 117.387 0.3 . 1 . . . B 163 GLN N . 11544 2
497 . 2 2 48 48 GLN NE2 N 15 110.693 0.006 . 1 . . . B 163 GLN NE2 . 11544 2
498 . 2 2 49 49 ALA H H 1 7.460 0.03 . 1 . . . B 164 ALA H . 11544 2
499 . 2 2 49 49 ALA HA H 1 4.082 0.03 . 1 . . . B 164 ALA HA . 11544 2
500 . 2 2 49 49 ALA HB1 H 1 1.459 0.03 . 1 . . . B 164 ALA HB1 . 11544 2
501 . 2 2 49 49 ALA HB2 H 1 1.459 0.03 . 1 . . . B 164 ALA HB2 . 11544 2
502 . 2 2 49 49 ALA HB3 H 1 1.459 0.03 . 1 . . . B 164 ALA HB3 . 11544 2
503 . 2 2 49 49 ALA C C 13 180.425 0.100 . 1 . . . B 164 ALA C . 11544 2
504 . 2 2 49 49 ALA CA C 13 55.195 0.100 . 1 . . . B 164 ALA CA . 11544 2
505 . 2 2 49 49 ALA CB C 13 17.740 0.100 . 1 . . . B 164 ALA CB . 11544 2
506 . 2 2 49 49 ALA N N 15 121.233 0.3 . 1 . . . B 164 ALA N . 11544 2
507 . 2 2 50 50 VAL H H 1 7.537 0.03 . 1 . . . B 165 VAL H . 11544 2
508 . 2 2 50 50 VAL HA H 1 3.367 0.03 . 1 . . . B 165 VAL HA . 11544 2
509 . 2 2 50 50 VAL HB H 1 2.396 0.03 . 1 . . . B 165 VAL HB . 11544 2
510 . 2 2 50 50 VAL HG11 H 1 0.668 0.03 . 2 . . . B 165 VAL HG11 . 11544 2
511 . 2 2 50 50 VAL HG12 H 1 0.668 0.03 . 2 . . . B 165 VAL HG12 . 11544 2
512 . 2 2 50 50 VAL HG13 H 1 0.668 0.03 . 2 . . . B 165 VAL HG13 . 11544 2
513 . 2 2 50 50 VAL HG21 H 1 0.931 0.03 . 2 . . . B 165 VAL HG21 . 11544 2
514 . 2 2 50 50 VAL HG22 H 1 0.931 0.03 . 2 . . . B 165 VAL HG22 . 11544 2
515 . 2 2 50 50 VAL HG23 H 1 0.931 0.03 . 2 . . . B 165 VAL HG23 . 11544 2
516 . 2 2 50 50 VAL C C 13 177.749 0.100 . 1 . . . B 165 VAL C . 11544 2
517 . 2 2 50 50 VAL CA C 13 67.197 0.100 . 1 . . . B 165 VAL CA . 11544 2
518 . 2 2 50 50 VAL CB C 13 31.624 0.100 . 1 . . . B 165 VAL CB . 11544 2
519 . 2 2 50 50 VAL CG1 C 13 23.611 0.100 . 2 . . . B 165 VAL CG1 . 11544 2
520 . 2 2 50 50 VAL CG2 C 13 21.969 0.100 . 2 . . . B 165 VAL CG2 . 11544 2
521 . 2 2 50 50 VAL N N 15 118.963 0.3 . 1 . . . B 165 VAL N . 11544 2
522 . 2 2 51 51 LYS H H 1 7.847 0.03 . 1 . . . B 166 LYS H . 11544 2
523 . 2 2 51 51 LYS HA H 1 3.851 0.03 . 1 . . . B 166 LYS HA . 11544 2
524 . 2 2 51 51 LYS HB2 H 1 1.959 0.03 . 2 . . . B 166 LYS HB2 . 11544 2
525 . 2 2 51 51 LYS HB3 H 1 1.999 0.03 . 2 . . . B 166 LYS HB3 . 11544 2
526 . 2 2 51 51 LYS HG2 H 1 1.198 0.03 . 2 . . . B 166 LYS HG2 . 11544 2
527 . 2 2 51 51 LYS HG3 H 1 1.690 0.03 . 2 . . . B 166 LYS HG3 . 11544 2
528 . 2 2 51 51 LYS HD2 H 1 1.694 0.03 . 2 . . . B 166 LYS HD2 . 11544 2
529 . 2 2 51 51 LYS HD3 H 1 1.694 0.03 . 2 . . . B 166 LYS HD3 . 11544 2
530 . 2 2 51 51 LYS HE2 H 1 2.830 0.03 . 1 . . . B 166 LYS HE2 . 11544 2
531 . 2 2 51 51 LYS HE3 H 1 2.830 0.03 . 1 . . . B 166 LYS HE3 . 11544 2
532 . 2 2 51 51 LYS C C 13 181.038 0.100 . 1 . . . B 166 LYS C . 11544 2
533 . 2 2 51 51 LYS CA C 13 60.377 0.100 . 1 . . . B 166 LYS CA . 11544 2
534 . 2 2 51 51 LYS CB C 13 31.877 0.100 . 1 . . . B 166 LYS CB . 11544 2
535 . 2 2 51 51 LYS CG C 13 26.398 0.034 . 1 . . . B 166 LYS CG . 11544 2
536 . 2 2 51 51 LYS CD C 13 29.496 0.100 . 1 . . . B 166 LYS CD . 11544 2
537 . 2 2 51 51 LYS CE C 13 42.336 0.100 . 1 . . . B 166 LYS CE . 11544 2
538 . 2 2 51 51 LYS N N 15 118.593 0.3 . 1 . . . B 166 LYS N . 11544 2
539 . 2 2 52 52 GLU H H 1 8.724 0.03 . 1 . . . B 167 GLU H . 11544 2
540 . 2 2 52 52 GLU HA H 1 4.036 0.03 . 1 . . . B 167 GLU HA . 11544 2
541 . 2 2 52 52 GLU HB2 H 1 1.991 0.03 . 2 . . . B 167 GLU HB2 . 11544 2
542 . 2 2 52 52 GLU HB3 H 1 2.064 0.03 . 2 . . . B 167 GLU HB3 . 11544 2
543 . 2 2 52 52 GLU HG2 H 1 2.413 0.03 . 2 . . . B 167 GLU HG2 . 11544 2
544 . 2 2 52 52 GLU HG3 H 1 2.253 0.03 . 2 . . . B 167 GLU HG3 . 11544 2
545 . 2 2 52 52 GLU C C 13 177.103 0.100 . 1 . . . B 167 GLU C . 11544 2
546 . 2 2 52 52 GLU CA C 13 58.762 0.100 . 1 . . . B 167 GLU CA . 11544 2
547 . 2 2 52 52 GLU CB C 13 29.239 0.100 . 1 . . . B 167 GLU CB . 11544 2
548 . 2 2 52 52 GLU CG C 13 36.637 0.010 . 1 . . . B 167 GLU CG . 11544 2
549 . 2 2 52 52 GLU N N 15 120.929 0.3 . 1 . . . B 167 GLU N . 11544 2
550 . 2 2 53 53 ALA H H 1 7.343 0.03 . 1 . . . B 168 ALA H . 11544 2
551 . 2 2 53 53 ALA HA H 1 4.332 0.03 . 1 . . . B 168 ALA HA . 11544 2
552 . 2 2 53 53 ALA HB1 H 1 1.353 0.03 . 1 . . . B 168 ALA HB1 . 11544 2
553 . 2 2 53 53 ALA HB2 H 1 1.353 0.03 . 1 . . . B 168 ALA HB2 . 11544 2
554 . 2 2 53 53 ALA HB3 H 1 1.353 0.03 . 1 . . . B 168 ALA HB3 . 11544 2
555 . 2 2 53 53 ALA C C 13 176.896 0.100 . 1 . . . B 168 ALA C . 11544 2
556 . 2 2 53 53 ALA CA C 13 52.187 0.100 . 1 . . . B 168 ALA CA . 11544 2
557 . 2 2 53 53 ALA CB C 13 18.988 0.100 . 1 . . . B 168 ALA CB . 11544 2
558 . 2 2 53 53 ALA N N 15 118.605 0.3 . 1 . . . B 168 ALA N . 11544 2
559 . 2 2 54 54 GLY H H 1 7.714 0.03 . 1 . . . B 169 GLY H . 11544 2
560 . 2 2 54 54 GLY HA2 H 1 3.949 0.03 . 2 . . . B 169 GLY HA2 . 11544 2
561 . 2 2 54 54 GLY HA3 H 1 4.253 0.03 . 2 . . . B 169 GLY HA3 . 11544 2
562 . 2 2 54 54 GLY C C 13 176.215 0.100 . 1 . . . B 169 GLY C . 11544 2
563 . 2 2 54 54 GLY CA C 13 45.478 0.009 . 1 . . . B 169 GLY CA . 11544 2
564 . 2 2 54 54 GLY N N 15 103.547 0.3 . 1 . . . B 169 GLY N . 11544 2
565 . 2 2 55 55 ALA H H 1 7.099 0.03 . 1 . . . B 170 ALA H . 11544 2
566 . 2 2 55 55 ALA HA H 1 3.823 0.03 . 1 . . . B 170 ALA HA . 11544 2
567 . 2 2 55 55 ALA HB1 H 1 1.063 0.03 . 1 . . . B 170 ALA HB1 . 11544 2
568 . 2 2 55 55 ALA HB2 H 1 1.063 0.03 . 1 . . . B 170 ALA HB2 . 11544 2
569 . 2 2 55 55 ALA HB3 H 1 1.063 0.03 . 1 . . . B 170 ALA HB3 . 11544 2
570 . 2 2 55 55 ALA C C 13 178.562 0.100 . 1 . . . B 170 ALA C . 11544 2
571 . 2 2 55 55 ALA CA C 13 54.902 0.100 . 1 . . . B 170 ALA CA . 11544 2
572 . 2 2 55 55 ALA CB C 13 20.560 0.100 . 1 . . . B 170 ALA CB . 11544 2
573 . 2 2 55 55 ALA N N 15 116.680 0.3 . 1 . . . B 170 ALA N . 11544 2
574 . 2 2 56 56 LEU H H 1 8.816 0.03 . 1 . . . B 171 LEU H . 11544 2
575 . 2 2 56 56 LEU HA H 1 3.684 0.03 . 1 . . . B 171 LEU HA . 11544 2
576 . 2 2 56 56 LEU HB2 H 1 1.699 0.03 . 2 . . . B 171 LEU HB2 . 11544 2
577 . 2 2 56 56 LEU HB3 H 1 1.506 0.03 . 2 . . . B 171 LEU HB3 . 11544 2
578 . 2 2 56 56 LEU HG H 1 1.606 0.03 . 1 . . . B 171 LEU HG . 11544 2
579 . 2 2 56 56 LEU HD11 H 1 0.751 0.03 . 2 . . . B 171 LEU HD11 . 11544 2
580 . 2 2 56 56 LEU HD12 H 1 0.751 0.03 . 2 . . . B 171 LEU HD12 . 11544 2
581 . 2 2 56 56 LEU HD13 H 1 0.751 0.03 . 2 . . . B 171 LEU HD13 . 11544 2
582 . 2 2 56 56 LEU HD21 H 1 0.862 0.03 . 2 . . . B 171 LEU HD21 . 11544 2
583 . 2 2 56 56 LEU HD22 H 1 0.862 0.03 . 2 . . . B 171 LEU HD22 . 11544 2
584 . 2 2 56 56 LEU HD23 H 1 0.862 0.03 . 2 . . . B 171 LEU HD23 . 11544 2
585 . 2 2 56 56 LEU C C 13 178.565 0.100 . 1 . . . B 171 LEU C . 11544 2
586 . 2 2 56 56 LEU CA C 13 59.700 0.100 . 1 . . . B 171 LEU CA . 11544 2
587 . 2 2 56 56 LEU CB C 13 40.546 0.013 . 1 . . . B 171 LEU CB . 11544 2
588 . 2 2 56 56 LEU CG C 13 27.692 0.100 . 1 . . . B 171 LEU CG . 11544 2
589 . 2 2 56 56 LEU CD1 C 13 24.245 0.100 . 2 . . . B 171 LEU CD1 . 11544 2
590 . 2 2 56 56 LEU CD2 C 13 25.457 0.100 . 2 . . . B 171 LEU CD2 . 11544 2
591 . 2 2 56 56 LEU N N 15 115.731 0.3 . 1 . . . B 171 LEU N . 11544 2
592 . 2 2 57 57 GLU H H 1 8.173 0.03 . 1 . . . B 172 GLU H . 11544 2
593 . 2 2 57 57 GLU HA H 1 3.982 0.03 . 1 . . . B 172 GLU HA . 11544 2
594 . 2 2 57 57 GLU HB2 H 1 1.869 0.03 . 2 . . . B 172 GLU HB2 . 11544 2
595 . 2 2 57 57 GLU HB3 H 1 2.001 0.03 . 2 . . . B 172 GLU HB3 . 11544 2
596 . 2 2 57 57 GLU HG2 H 1 2.254 0.03 . 2 . . . B 172 GLU HG2 . 11544 2
597 . 2 2 57 57 GLU HG3 H 1 2.191 0.03 . 2 . . . B 172 GLU HG3 . 11544 2
598 . 2 2 57 57 GLU C C 13 179.260 0.100 . 1 . . . B 172 GLU C . 11544 2
599 . 2 2 57 57 GLU CA C 13 59.554 0.100 . 1 . . . B 172 GLU CA . 11544 2
600 . 2 2 57 57 GLU CB C 13 29.127 0.100 . 1 . . . B 172 GLU CB . 11544 2
601 . 2 2 57 57 GLU CG C 13 36.586 0.040 . 1 . . . B 172 GLU CG . 11544 2
602 . 2 2 57 57 GLU N N 15 116.588 0.3 . 1 . . . B 172 GLU N . 11544 2
603 . 2 2 58 58 LYS H H 1 6.740 0.03 . 1 . . . B 173 LYS H . 11544 2
604 . 2 2 58 58 LYS HA H 1 4.102 0.03 . 1 . . . B 173 LYS HA . 11544 2
605 . 2 2 58 58 LYS HB2 H 1 1.640 0.03 . 2 . . . B 173 LYS HB2 . 11544 2
606 . 2 2 58 58 LYS HB3 H 1 1.788 0.03 . 2 . . . B 173 LYS HB3 . 11544 2
607 . 2 2 58 58 LYS HG2 H 1 1.443 0.03 . 2 . . . B 173 LYS HG2 . 11544 2
608 . 2 2 58 58 LYS HG3 H 1 1.384 0.03 . 2 . . . B 173 LYS HG3 . 11544 2
609 . 2 2 58 58 LYS HD2 H 1 1.522 0.03 . 2 . . . B 173 LYS HD2 . 11544 2
610 . 2 2 58 58 LYS HD3 H 1 1.491 0.03 . 2 . . . B 173 LYS HD3 . 11544 2
611 . 2 2 58 58 LYS HE2 H 1 2.947 0.03 . 2 . . . B 173 LYS HE2 . 11544 2
612 . 2 2 58 58 LYS HE3 H 1 2.809 0.03 . 2 . . . B 173 LYS HE3 . 11544 2
613 . 2 2 58 58 LYS C C 13 179.074 0.100 . 1 . . . B 173 LYS C . 11544 2
614 . 2 2 58 58 LYS CA C 13 57.154 0.100 . 1 . . . B 173 LYS CA . 11544 2
615 . 2 2 58 58 LYS CB C 13 32.640 0.056 . 1 . . . B 173 LYS CB . 11544 2
616 . 2 2 58 58 LYS CG C 13 24.756 0.020 . 1 . . . B 173 LYS CG . 11544 2
617 . 2 2 58 58 LYS CD C 13 27.900 0.100 . 1 . . . B 173 LYS CD . 11544 2
618 . 2 2 58 58 LYS CE C 13 42.180 0.100 . 1 . . . B 173 LYS CE . 11544 2
619 . 2 2 58 58 LYS N N 15 115.481 0.3 . 1 . . . B 173 LYS N . 11544 2
620 . 2 2 59 59 LEU H H 1 8.342 0.03 . 1 . . . B 174 LEU H . 11544 2
621 . 2 2 59 59 LEU HA H 1 3.890 0.03 . 1 . . . B 174 LEU HA . 11544 2
622 . 2 2 59 59 LEU HB2 H 1 1.259 0.03 . 2 . . . B 174 LEU HB2 . 11544 2
623 . 2 2 59 59 LEU HB3 H 1 1.964 0.03 . 2 . . . B 174 LEU HB3 . 11544 2
624 . 2 2 59 59 LEU HG H 1 0.563 0.03 . 1 . . . B 174 LEU HG . 11544 2
625 . 2 2 59 59 LEU HD11 H 1 0.716 0.03 . 1 . . . B 174 LEU HD11 . 11544 2
626 . 2 2 59 59 LEU HD12 H 1 0.716 0.03 . 1 . . . B 174 LEU HD12 . 11544 2
627 . 2 2 59 59 LEU HD13 H 1 0.716 0.03 . 1 . . . B 174 LEU HD13 . 11544 2
628 . 2 2 59 59 LEU C C 13 179.022 0.100 . 1 . . . B 174 LEU C . 11544 2
629 . 2 2 59 59 LEU CA C 13 58.125 0.100 . 1 . . . B 174 LEU CA . 11544 2
630 . 2 2 59 59 LEU CB C 13 41.821 0.010 . 1 . . . B 174 LEU CB . 11544 2
631 . 2 2 59 59 LEU CG C 13 25.905 0.100 . 1 . . . B 174 LEU CG . 11544 2
632 . 2 2 59 59 LEU CD2 C 13 23.625 0.100 . 1 . . . B 174 LEU CD2 . 11544 2
633 . 2 2 59 59 LEU N N 15 119.401 0.3 . 1 . . . B 174 LEU N . 11544 2
634 . 2 2 60 60 GLU H H 1 8.193 0.03 . 1 . . . B 175 GLU H . 11544 2
635 . 2 2 60 60 GLU HA H 1 4.034 0.03 . 1 . . . B 175 GLU HA . 11544 2
636 . 2 2 60 60 GLU HB2 H 1 1.947 0.03 . 2 . . . B 175 GLU HB2 . 11544 2
637 . 2 2 60 60 GLU HB3 H 1 2.041 0.03 . 2 . . . B 175 GLU HB3 . 11544 2
638 . 2 2 60 60 GLU HG2 H 1 2.084 0.03 . 2 . . . B 175 GLU HG2 . 11544 2
639 . 2 2 60 60 GLU HG3 H 1 2.327 0.03 . 2 . . . B 175 GLU HG3 . 11544 2
640 . 2 2 60 60 GLU C C 13 180.128 0.100 . 1 . . . B 175 GLU C . 11544 2
641 . 2 2 60 60 GLU CA C 13 59.176 0.100 . 1 . . . B 175 GLU CA . 11544 2
642 . 2 2 60 60 GLU CB C 13 29.344 0.100 . 1 . . . B 175 GLU CB . 11544 2
643 . 2 2 60 60 GLU CG C 13 36.766 0.057 . 1 . . . B 175 GLU CG . 11544 2
644 . 2 2 60 60 GLU N N 15 117.294 0.3 . 1 . . . B 175 GLU N . 11544 2
645 . 2 2 61 61 GLN H H 1 7.301 0.03 . 1 . . . B 176 GLN H . 11544 2
646 . 2 2 61 61 GLN HA H 1 4.087 0.03 . 1 . . . B 176 GLN HA . 11544 2
647 . 2 2 61 61 GLN HB2 H 1 2.182 0.03 . 2 . . . B 176 GLN HB2 . 11544 2
648 . 2 2 61 61 GLN HB3 H 1 2.073 0.03 . 2 . . . B 176 GLN HB3 . 11544 2
649 . 2 2 61 61 GLN HG2 H 1 2.396 0.03 . 2 . . . B 176 GLN HG2 . 11544 2
650 . 2 2 61 61 GLN HG3 H 1 2.547 0.03 . 2 . . . B 176 GLN HG3 . 11544 2
651 . 2 2 61 61 GLN HE21 H 1 7.488 0.03 . 1 . . . B 176 GLN HE21 . 11544 2
652 . 2 2 61 61 GLN HE22 H 1 6.895 0.03 . 1 . . . B 176 GLN HE22 . 11544 2
653 . 2 2 61 61 GLN C C 13 178.761 0.100 . 1 . . . B 176 GLN C . 11544 2
654 . 2 2 61 61 GLN CA C 13 58.387 0.100 . 1 . . . B 176 GLN CA . 11544 2
655 . 2 2 61 61 GLN CB C 13 28.231 0.044 . 1 . . . B 176 GLN CB . 11544 2
656 . 2 2 61 61 GLN CG C 13 33.803 0.100 . 1 . . . B 176 GLN CG . 11544 2
657 . 2 2 61 61 GLN N N 15 117.989 0.3 . 1 . . . B 176 GLN N . 11544 2
658 . 2 2 61 61 GLN NE2 N 15 111.076 0.3 . 1 . . . B 176 GLN NE2 . 11544 2
659 . 2 2 62 62 LEU H H 1 7.819 0.03 . 1 . . . B 177 LEU H . 11544 2
660 . 2 2 62 62 LEU HA H 1 4.268 0.03 . 1 . . . B 177 LEU HA . 11544 2
661 . 2 2 62 62 LEU HB2 H 1 1.329 0.03 . 2 . . . B 177 LEU HB2 . 11544 2
662 . 2 2 62 62 LEU HB3 H 1 1.905 0.03 . 2 . . . B 177 LEU HB3 . 11544 2
663 . 2 2 62 62 LEU HG H 1 1.923 0.03 . 1 . . . B 177 LEU HG . 11544 2
664 . 2 2 62 62 LEU HD11 H 1 1.017 0.03 . 2 . . . B 177 LEU HD11 . 11544 2
665 . 2 2 62 62 LEU HD12 H 1 1.017 0.03 . 2 . . . B 177 LEU HD12 . 11544 2
666 . 2 2 62 62 LEU HD13 H 1 1.017 0.03 . 2 . . . B 177 LEU HD13 . 11544 2
667 . 2 2 62 62 LEU HD21 H 1 0.741 0.03 . 2 . . . B 177 LEU HD21 . 11544 2
668 . 2 2 62 62 LEU HD22 H 1 0.741 0.03 . 2 . . . B 177 LEU HD22 . 11544 2
669 . 2 2 62 62 LEU HD23 H 1 0.741 0.03 . 2 . . . B 177 LEU HD23 . 11544 2
670 . 2 2 62 62 LEU C C 13 177.521 0.100 . 1 . . . B 177 LEU C . 11544 2
671 . 2 2 62 62 LEU CA C 13 56.413 0.100 . 1 . . . B 177 LEU CA . 11544 2
672 . 2 2 62 62 LEU CB C 13 42.455 0.031 . 1 . . . B 177 LEU CB . 11544 2
673 . 2 2 62 62 LEU CG C 13 26.957 0.100 . 1 . . . B 177 LEU CG . 11544 2
674 . 2 2 62 62 LEU CD1 C 13 23.467 0.100 . 2 . . . B 177 LEU CD1 . 11544 2
675 . 2 2 62 62 LEU CD2 C 13 23.791 0.100 . 2 . . . B 177 LEU CD2 . 11544 2
676 . 2 2 62 62 LEU N N 15 119.400 0.3 . 1 . . . B 177 LEU N . 11544 2
677 . 2 2 63 63 GLN H H 1 7.424 0.03 . 1 . . . B 178 GLN H . 11544 2
678 . 2 2 63 63 GLN HA H 1 4.102 0.03 . 1 . . . B 178 GLN HA . 11544 2
679 . 2 2 63 63 GLN HB2 H 1 2.161 0.03 . 1 . . . B 178 GLN HB2 . 11544 2
680 . 2 2 63 63 GLN HB3 H 1 2.161 0.03 . 1 . . . B 178 GLN HB3 . 11544 2
681 . 2 2 63 63 GLN HG2 H 1 2.544 0.03 . 2 . . . B 178 GLN HG2 . 11544 2
682 . 2 2 63 63 GLN HG3 H 1 2.278 0.03 . 2 . . . B 178 GLN HG3 . 11544 2
683 . 2 2 63 63 GLN HE21 H 1 7.118 0.03 . 1 . . . B 178 GLN HE21 . 11544 2
684 . 2 2 63 63 GLN HE22 H 1 6.654 0.03 . 1 . . . B 178 GLN HE22 . 11544 2
685 . 2 2 63 63 GLN C C 13 175.674 0.100 . 1 . . . B 178 GLN C . 11544 2
686 . 2 2 63 63 GLN CA C 13 58.505 0.100 . 1 . . . B 178 GLN CA . 11544 2
687 . 2 2 63 63 GLN CB C 13 29.046 0.100 . 1 . . . B 178 GLN CB . 11544 2
688 . 2 2 63 63 GLN CG C 13 35.019 0.008 . 1 . . . B 178 GLN CG . 11544 2
689 . 2 2 63 63 GLN N N 15 115.861 0.3 . 1 . . . B 178 GLN N . 11544 2
690 . 2 2 63 63 GLN NE2 N 15 109.904 0.001 . 1 . . . B 178 GLN NE2 . 11544 2
691 . 2 2 64 64 SER H H 1 7.496 0.03 . 1 . . . B 179 SER H . 11544 2
692 . 2 2 64 64 SER HA H 1 4.599 0.03 . 1 . . . B 179 SER HA . 11544 2
693 . 2 2 64 64 SER HB2 H 1 3.832 0.03 . 2 . . . B 179 SER HB2 . 11544 2
694 . 2 2 64 64 SER HB3 H 1 3.911 0.03 . 2 . . . B 179 SER HB3 . 11544 2
695 . 2 2 64 64 SER C C 13 173.976 0.100 . 1 . . . B 179 SER C . 11544 2
696 . 2 2 64 64 SER CA C 13 57.019 0.100 . 1 . . . B 179 SER CA . 11544 2
697 . 2 2 64 64 SER CB C 13 63.605 0.025 . 1 . . . B 179 SER CB . 11544 2
698 . 2 2 64 64 SER N N 15 110.699 0.3 . 1 . . . B 179 SER N . 11544 2
699 . 2 2 65 65 HIS H H 1 7.525 0.03 . 1 . . . B 180 HIS H . 11544 2
700 . 2 2 65 65 HIS HA H 1 3.872 0.03 . 1 . . . B 180 HIS HA . 11544 2
701 . 2 2 65 65 HIS HB2 H 1 2.782 0.03 . 2 . . . B 180 HIS HB2 . 11544 2
702 . 2 2 65 65 HIS HB3 H 1 3.199 0.03 . 2 . . . B 180 HIS HB3 . 11544 2
703 . 2 2 65 65 HIS C C 13 174.642 0.100 . 1 . . . B 180 HIS C . 11544 2
704 . 2 2 65 65 HIS CA C 13 59.671 0.100 . 1 . . . B 180 HIS CA . 11544 2
705 . 2 2 65 65 HIS CB C 13 31.966 0.003 . 1 . . . B 180 HIS CB . 11544 2
706 . 2 2 65 65 HIS N N 15 124.870 0.3 . 1 . . . B 180 HIS N . 11544 2
707 . 2 2 66 66 GLU H H 1 7.897 0.03 . 1 . . . B 181 GLU H . 11544 2
708 . 2 2 66 66 GLU HA H 1 3.918 0.03 . 1 . . . B 181 GLU HA . 11544 2
709 . 2 2 66 66 GLU HB2 H 1 1.892 0.03 . 2 . . . B 181 GLU HB2 . 11544 2
710 . 2 2 66 66 GLU HB3 H 1 1.967 0.03 . 2 . . . B 181 GLU HB3 . 11544 2
711 . 2 2 66 66 GLU HG2 H 1 2.186 0.03 . 2 . . . B 181 GLU HG2 . 11544 2
712 . 2 2 66 66 GLU HG3 H 1 2.148 0.03 . 2 . . . B 181 GLU HG3 . 11544 2
713 . 2 2 66 66 GLU C C 13 177.148 0.100 . 1 . . . B 181 GLU C . 11544 2
714 . 2 2 66 66 GLU CA C 13 58.817 0.100 . 1 . . . B 181 GLU CA . 11544 2
715 . 2 2 66 66 GLU CB C 13 29.904 0.040 . 1 . . . B 181 GLU CB . 11544 2
716 . 2 2 66 66 GLU CG C 13 36.273 0.020 . 1 . . . B 181 GLU CG . 11544 2
717 . 2 2 66 66 GLU N N 15 123.852 0.3 . 1 . . . B 181 GLU N . 11544 2
718 . 2 2 67 67 ASN H H 1 11.490 0.03 . 1 . . . B 182 ASN H . 11544 2
719 . 2 2 67 67 ASN HA H 1 4.707 0.03 . 1 . . . B 182 ASN HA . 11544 2
720 . 2 2 67 67 ASN HB2 H 1 2.928 0.03 . 2 . . . B 182 ASN HB2 . 11544 2
721 . 2 2 67 67 ASN HB3 H 1 3.288 0.03 . 2 . . . B 182 ASN HB3 . 11544 2
722 . 2 2 67 67 ASN HD21 H 1 8.007 0.03 . 1 . . . B 182 ASN HD21 . 11544 2
723 . 2 2 67 67 ASN HD22 H 1 6.888 0.03 . 1 . . . B 182 ASN HD22 . 11544 2
724 . 2 2 67 67 ASN C C 13 176.259 0.100 . 1 . . . B 182 ASN C . 11544 2
725 . 2 2 67 67 ASN CA C 13 53.227 0.100 . 1 . . . B 182 ASN CA . 11544 2
726 . 2 2 67 67 ASN CB C 13 38.868 0.007 . 1 . . . B 182 ASN CB . 11544 2
727 . 2 2 67 67 ASN N N 15 124.219 0.3 . 1 . . . B 182 ASN N . 11544 2
728 . 2 2 67 67 ASN ND2 N 15 113.019 0.002 . 1 . . . B 182 ASN ND2 . 11544 2
729 . 2 2 68 68 GLU H H 1 8.965 0.03 . 1 . . . B 183 GLU H . 11544 2
730 . 2 2 68 68 GLU HA H 1 3.918 0.03 . 1 . . . B 183 GLU HA . 11544 2
731 . 2 2 68 68 GLU HB2 H 1 2.045 0.03 . 2 . . . B 183 GLU HB2 . 11544 2
732 . 2 2 68 68 GLU HB3 H 1 1.825 0.03 . 2 . . . B 183 GLU HB3 . 11544 2
733 . 2 2 68 68 GLU HG2 H 1 2.353 0.03 . 2 . . . B 183 GLU HG2 . 11544 2
734 . 2 2 68 68 GLU HG3 H 1 2.268 0.03 . 2 . . . B 183 GLU HG3 . 11544 2
735 . 2 2 68 68 GLU C C 13 177.940 0.100 . 1 . . . B 183 GLU C . 11544 2
736 . 2 2 68 68 GLU CA C 13 59.543 0.100 . 1 . . . B 183 GLU CA . 11544 2
737 . 2 2 68 68 GLU CB C 13 29.535 0.100 . 1 . . . B 183 GLU CB . 11544 2
738 . 2 2 68 68 GLU CG C 13 36.428 0.030 . 1 . . . B 183 GLU CG . 11544 2
739 . 2 2 68 68 GLU N N 15 127.530 0.3 . 1 . . . B 183 GLU N . 11544 2
740 . 2 2 69 69 LYS H H 1 8.159 0.03 . 1 . . . B 184 LYS H . 11544 2
741 . 2 2 69 69 LYS HA H 1 4.039 0.03 . 1 . . . B 184 LYS HA . 11544 2
742 . 2 2 69 69 LYS HB2 H 1 1.821 0.03 . 2 . . . B 184 LYS HB2 . 11544 2
743 . 2 2 69 69 LYS HB3 H 1 1.949 0.03 . 2 . . . B 184 LYS HB3 . 11544 2
744 . 2 2 69 69 LYS HG2 H 1 1.360 0.03 . 2 . . . B 184 LYS HG2 . 11544 2
745 . 2 2 69 69 LYS HG3 H 1 1.475 0.03 . 2 . . . B 184 LYS HG3 . 11544 2
746 . 2 2 69 69 LYS HD2 H 1 2.951 0.03 . 1 . . . B 184 LYS HD2 . 11544 2
747 . 2 2 69 69 LYS HD3 H 1 2.951 0.03 . 1 . . . B 184 LYS HD3 . 11544 2
748 . 2 2 69 69 LYS HE3 H 1 2.783 0.03 . 1 . . . B 184 LYS HE3 . 11544 2
749 . 2 2 69 69 LYS C C 13 179.215 0.100 . 1 . . . B 184 LYS C . 11544 2
750 . 2 2 69 69 LYS CA C 13 59.332 0.100 . 1 . . . B 184 LYS CA . 11544 2
751 . 2 2 69 69 LYS CB C 13 32.029 0.012 . 1 . . . B 184 LYS CB . 11544 2
752 . 2 2 69 69 LYS CG C 13 25.235 0.034 . 1 . . . B 184 LYS CG . 11544 2
753 . 2 2 69 69 LYS CD C 13 29.103 0.100 . 1 . . . B 184 LYS CD . 11544 2
754 . 2 2 69 69 LYS CE C 13 42.211 0.100 . 1 . . . B 184 LYS CE . 11544 2
755 . 2 2 69 69 LYS N N 15 119.401 0.3 . 1 . . . B 184 LYS N . 11544 2
756 . 2 2 70 70 ILE H H 1 7.124 0.03 . 1 . . . B 185 ILE H . 11544 2
757 . 2 2 70 70 ILE HA H 1 3.377 0.03 . 1 . . . B 185 ILE HA . 11544 2
758 . 2 2 70 70 ILE HB H 1 1.730 0.03 . 1 . . . B 185 ILE HB . 11544 2
759 . 2 2 70 70 ILE HG12 H 1 1.148 0.03 . 2 . . . B 185 ILE HG12 . 11544 2
760 . 2 2 70 70 ILE HG13 H 1 0.685 0.03 . 2 . . . B 185 ILE HG13 . 11544 2
761 . 2 2 70 70 ILE HG21 H 1 0.438 0.03 . 1 . . . B 185 ILE HG21 . 11544 2
762 . 2 2 70 70 ILE HG22 H 1 0.438 0.03 . 1 . . . B 185 ILE HG22 . 11544 2
763 . 2 2 70 70 ILE HG23 H 1 0.438 0.03 . 1 . . . B 185 ILE HG23 . 11544 2
764 . 2 2 70 70 ILE HD11 H 1 0.430 0.03 . 1 . . . B 185 ILE HD11 . 11544 2
765 . 2 2 70 70 ILE HD12 H 1 0.430 0.03 . 1 . . . B 185 ILE HD12 . 11544 2
766 . 2 2 70 70 ILE HD13 H 1 0.430 0.03 . 1 . . . B 185 ILE HD13 . 11544 2
767 . 2 2 70 70 ILE C C 13 177.039 0.100 . 1 . . . B 185 ILE C . 11544 2
768 . 2 2 70 70 ILE CA C 13 64.302 0.100 . 1 . . . B 185 ILE CA . 11544 2
769 . 2 2 70 70 ILE CB C 13 36.560 0.100 . 1 . . . B 185 ILE CB . 11544 2
770 . 2 2 70 70 ILE CG1 C 13 29.172 0.022 . 1 . . . B 185 ILE CG1 . 11544 2
771 . 2 2 70 70 ILE CG2 C 13 17.242 0.100 . 1 . . . B 185 ILE CG2 . 11544 2
772 . 2 2 70 70 ILE CD1 C 13 11.572 0.100 . 1 . . . B 185 ILE CD1 . 11544 2
773 . 2 2 70 70 ILE N N 15 119.849 0.3 . 1 . . . B 185 ILE N . 11544 2
774 . 2 2 71 71 GLN H H 1 8.011 0.03 . 1 . . . B 186 GLN H . 11544 2
775 . 2 2 71 71 GLN HA H 1 3.974 0.03 . 1 . . . B 186 GLN HA . 11544 2
776 . 2 2 71 71 GLN HB2 H 1 2.237 0.03 . 2 . . . B 186 GLN HB2 . 11544 2
777 . 2 2 71 71 GLN HB3 H 1 1.932 0.03 . 2 . . . B 186 GLN HB3 . 11544 2
778 . 2 2 71 71 GLN HG2 H 1 2.549 0.03 . 2 . . . B 186 GLN HG2 . 11544 2
779 . 2 2 71 71 GLN HG3 H 1 2.372 0.03 . 2 . . . B 186 GLN HG3 . 11544 2
780 . 2 2 71 71 GLN HE21 H 1 6.891 0.03 . 1 . . . B 186 GLN HE21 . 11544 2
781 . 2 2 71 71 GLN HE22 H 1 7.740 0.03 . 1 . . . B 186 GLN HE22 . 11544 2
782 . 2 2 71 71 GLN C C 13 178.899 0.100 . 1 . . . B 186 GLN C . 11544 2
783 . 2 2 71 71 GLN CA C 13 59.566 0.100 . 1 . . . B 186 GLN CA . 11544 2
784 . 2 2 71 71 GLN CB C 13 28.651 0.074 . 1 . . . B 186 GLN CB . 11544 2
785 . 2 2 71 71 GLN CG C 13 33.681 0.100 . 1 . . . B 186 GLN CG . 11544 2
786 . 2 2 71 71 GLN N N 15 117.770 0.3 . 1 . . . B 186 GLN N . 11544 2
787 . 2 2 71 71 GLN NE2 N 15 112.624 0.002 . 1 . . . B 186 GLN NE2 . 11544 2
788 . 2 2 72 72 LYS H H 1 7.699 0.03 . 1 . . . B 187 LYS H . 11544 2
789 . 2 2 72 72 LYS HA H 1 4.017 0.03 . 1 . . . B 187 LYS HA . 11544 2
790 . 2 2 72 72 LYS HB2 H 1 1.895 0.03 . 2 . . . B 187 LYS HB2 . 11544 2
791 . 2 2 72 72 LYS HB3 H 1 1.953 0.03 . 2 . . . B 187 LYS HB3 . 11544 2
792 . 2 2 72 72 LYS HG2 H 1 1.427 0.03 . 2 . . . B 187 LYS HG2 . 11544 2
793 . 2 2 72 72 LYS HG3 H 1 1.544 0.03 . 2 . . . B 187 LYS HG3 . 11544 2
794 . 2 2 72 72 LYS HD2 H 1 1.654 0.03 . 1 . . . B 187 LYS HD2 . 11544 2
795 . 2 2 72 72 LYS HD3 H 1 1.654 0.03 . 1 . . . B 187 LYS HD3 . 11544 2
796 . 2 2 72 72 LYS HE2 H 1 2.949 0.03 . 2 . . . B 187 LYS HE2 . 11544 2
797 . 2 2 72 72 LYS HE3 H 1 2.775 0.03 . 2 . . . B 187 LYS HE3 . 11544 2
798 . 2 2 72 72 LYS C C 13 179.237 0.100 . 1 . . . B 187 LYS C . 11544 2
799 . 2 2 72 72 LYS CA C 13 59.189 0.100 . 1 . . . B 187 LYS CA . 11544 2
800 . 2 2 72 72 LYS CB C 13 32.517 0.013 . 1 . . . B 187 LYS CB . 11544 2
801 . 2 2 72 72 LYS CG C 13 24.856 0.100 . 1 . . . B 187 LYS CG . 11544 2
802 . 2 2 72 72 LYS CD C 13 29.074 0.100 . 1 . . . B 187 LYS CD . 11544 2
803 . 2 2 72 72 LYS CE C 13 42.136 0.100 . 1 . . . B 187 LYS CE . 11544 2
804 . 2 2 72 72 LYS N N 15 117.299 0.3 . 1 . . . B 187 LYS N . 11544 2
805 . 2 2 73 73 GLU H H 1 7.957 0.03 . 1 . . . B 188 GLU H . 11544 2
806 . 2 2 73 73 GLU HA H 1 4.044 0.03 . 1 . . . B 188 GLU HA . 11544 2
807 . 2 2 73 73 GLU HB2 H 1 1.956 0.03 . 2 . . . B 188 GLU HB2 . 11544 2
808 . 2 2 73 73 GLU HB3 H 1 2.023 0.03 . 2 . . . B 188 GLU HB3 . 11544 2
809 . 2 2 73 73 GLU HG2 H 1 2.264 0.03 . 2 . . . B 188 GLU HG2 . 11544 2
810 . 2 2 73 73 GLU HG3 H 1 2.417 0.03 . 2 . . . B 188 GLU HG3 . 11544 2
811 . 2 2 73 73 GLU C C 13 179.801 0.100 . 1 . . . B 188 GLU C . 11544 2
812 . 2 2 73 73 GLU CA C 13 58.805 0.100 . 1 . . . B 188 GLU CA . 11544 2
813 . 2 2 73 73 GLU CB C 13 29.383 0.100 . 1 . . . B 188 GLU CB . 11544 2
814 . 2 2 73 73 GLU CG C 13 36.674 0.100 . 1 . . . B 188 GLU CG . 11544 2
815 . 2 2 73 73 GLU N N 15 119.276 0.3 . 1 . . . B 188 GLU N . 11544 2
816 . 2 2 74 74 ALA H H 1 8.848 0.03 . 1 . . . B 189 ALA H . 11544 2
817 . 2 2 74 74 ALA HA H 1 3.954 0.03 . 1 . . . B 189 ALA HA . 11544 2
818 . 2 2 74 74 ALA HB1 H 1 1.355 0.03 . 1 . . . B 189 ALA HB1 . 11544 2
819 . 2 2 74 74 ALA HB2 H 1 1.355 0.03 . 1 . . . B 189 ALA HB2 . 11544 2
820 . 2 2 74 74 ALA HB3 H 1 1.355 0.03 . 1 . . . B 189 ALA HB3 . 11544 2
821 . 2 2 74 74 ALA C C 13 178.883 0.100 . 1 . . . B 189 ALA C . 11544 2
822 . 2 2 74 74 ALA CA C 13 55.457 0.100 . 1 . . . B 189 ALA CA . 11544 2
823 . 2 2 74 74 ALA CB C 13 18.352 0.100 . 1 . . . B 189 ALA CB . 11544 2
824 . 2 2 74 74 ALA N N 15 122.245 0.3 . 1 . . . B 189 ALA N . 11544 2
825 . 2 2 75 75 GLN H H 1 8.071 0.03 . 1 . . . B 190 GLN H . 11544 2
826 . 2 2 75 75 GLN HA H 1 3.973 0.03 . 1 . . . B 190 GLN HA . 11544 2
827 . 2 2 75 75 GLN HB2 H 1 2.140 0.03 . 2 . . . B 190 GLN HB2 . 11544 2
828 . 2 2 75 75 GLN HB3 H 1 2.075 0.03 . 2 . . . B 190 GLN HB3 . 11544 2
829 . 2 2 75 75 GLN HG2 H 1 2.303 0.03 . 2 . . . B 190 GLN HG2 . 11544 2
830 . 2 2 75 75 GLN HG3 H 1 2.441 0.03 . 2 . . . B 190 GLN HG3 . 11544 2
831 . 2 2 75 75 GLN C C 13 178.641 0.100 . 1 . . . B 190 GLN C . 11544 2
832 . 2 2 75 75 GLN CA C 13 59.370 0.100 . 1 . . . B 190 GLN CA . 11544 2
833 . 2 2 75 75 GLN CB C 13 29.620 0.047 . 1 . . . B 190 GLN CB . 11544 2
834 . 2 2 75 75 GLN CG C 13 37.523 0.074 . 1 . . . B 190 GLN CG . 11544 2
835 . 2 2 75 75 GLN N N 15 117.860 0.3 . 1 . . . B 190 GLN N . 11544 2
836 . 2 2 76 76 GLU H H 1 8.121 0.03 . 1 . . . B 191 GLU H . 11544 2
837 . 2 2 76 76 GLU HA H 1 4.027 0.03 . 1 . . . B 191 GLU HA . 11544 2
838 . 2 2 76 76 GLU HB2 H 1 2.061 0.03 . 2 . . . B 191 GLU HB2 . 11544 2
839 . 2 2 76 76 GLU HB3 H 1 2.012 0.03 . 2 . . . B 191 GLU HB3 . 11544 2
840 . 2 2 76 76 GLU HG2 H 1 2.329 0.03 . 2 . . . B 191 GLU HG2 . 11544 2
841 . 2 2 76 76 GLU HG3 H 1 2.380 0.03 . 2 . . . B 191 GLU HG3 . 11544 2
842 . 2 2 76 76 GLU C C 13 179.089 0.100 . 1 . . . B 191 GLU C . 11544 2
843 . 2 2 76 76 GLU CA C 13 59.316 0.100 . 1 . . . B 191 GLU CA . 11544 2
844 . 2 2 76 76 GLU CB C 13 29.407 0.100 . 1 . . . B 191 GLU CB . 11544 2
845 . 2 2 76 76 GLU CG C 13 36.607 0.100 . 1 . . . B 191 GLU CG . 11544 2
846 . 2 2 76 76 GLU N N 15 118.887 0.3 . 1 . . . B 191 GLU N . 11544 2
847 . 2 2 77 77 ALA H H 1 8.049 0.03 . 1 . . . B 192 ALA H . 11544 2
848 . 2 2 77 77 ALA HA H 1 3.921 0.03 . 1 . . . B 192 ALA HA . 11544 2
849 . 2 2 77 77 ALA HB1 H 1 1.308 0.03 . 1 . . . B 192 ALA HB1 . 11544 2
850 . 2 2 77 77 ALA HB2 H 1 1.308 0.03 . 1 . . . B 192 ALA HB2 . 11544 2
851 . 2 2 77 77 ALA HB3 H 1 1.308 0.03 . 1 . . . B 192 ALA HB3 . 11544 2
852 . 2 2 77 77 ALA C C 13 179.060 0.100 . 1 . . . B 192 ALA C . 11544 2
853 . 2 2 77 77 ALA CA C 13 55.375 0.100 . 1 . . . B 192 ALA CA . 11544 2
854 . 2 2 77 77 ALA CB C 13 17.863 0.100 . 1 . . . B 192 ALA CB . 11544 2
855 . 2 2 77 77 ALA N N 15 121.486 0.3 . 1 . . . B 192 ALA N . 11544 2
856 . 2 2 78 78 LEU H H 1 8.192 0.03 . 1 . . . B 193 LEU H . 11544 2
857 . 2 2 78 78 LEU HA H 1 3.733 0.03 . 1 . . . B 193 LEU HA . 11544 2
858 . 2 2 78 78 LEU HB2 H 1 1.658 0.03 . 2 . . . B 193 LEU HB2 . 11544 2
859 . 2 2 78 78 LEU HB3 H 1 1.533 0.03 . 2 . . . B 193 LEU HB3 . 11544 2
860 . 2 2 78 78 LEU HG H 1 1.636 0.03 . 1 . . . B 193 LEU HG . 11544 2
861 . 2 2 78 78 LEU HD11 H 1 0.729 0.03 . 2 . . . B 193 LEU HD11 . 11544 2
862 . 2 2 78 78 LEU HD12 H 1 0.729 0.03 . 2 . . . B 193 LEU HD12 . 11544 2
863 . 2 2 78 78 LEU HD13 H 1 0.729 0.03 . 2 . . . B 193 LEU HD13 . 11544 2
864 . 2 2 78 78 LEU HD21 H 1 0.730 0.03 . 2 . . . B 193 LEU HD21 . 11544 2
865 . 2 2 78 78 LEU HD22 H 1 0.730 0.03 . 2 . . . B 193 LEU HD22 . 11544 2
866 . 2 2 78 78 LEU HD23 H 1 0.730 0.03 . 2 . . . B 193 LEU HD23 . 11544 2
867 . 2 2 78 78 LEU C C 13 179.058 0.100 . 1 . . . B 193 LEU C . 11544 2
868 . 2 2 78 78 LEU CA C 13 58.506 0.100 . 1 . . . B 193 LEU CA . 11544 2
869 . 2 2 78 78 LEU CB C 13 41.961 0.015 . 1 . . . B 193 LEU CB . 11544 2
870 . 2 2 78 78 LEU CG C 13 27.034 0.100 . 1 . . . B 193 LEU CG . 11544 2
871 . 2 2 78 78 LEU CD1 C 13 24.871 0.100 . 2 . . . B 193 LEU CD1 . 11544 2
872 . 2 2 78 78 LEU CD2 C 13 24.816 0.100 . 2 . . . B 193 LEU CD2 . 11544 2
873 . 2 2 78 78 LEU N N 15 118.319 0.3 . 1 . . . B 193 LEU N . 11544 2
874 . 2 2 79 79 GLU H H 1 7.965 0.03 . 1 . . . B 194 GLU H . 11544 2
875 . 2 2 79 79 GLU HA H 1 3.986 0.03 . 1 . . . B 194 GLU HA . 11544 2
876 . 2 2 79 79 GLU HB2 H 1 2.061 0.03 . 2 . . . B 194 GLU HB2 . 11544 2
877 . 2 2 79 79 GLU HB3 H 1 2.130 0.03 . 2 . . . B 194 GLU HB3 . 11544 2
878 . 2 2 79 79 GLU HG3 H 1 2.381 0.03 . 1 . . . B 194 GLU HG3 . 11544 2
879 . 2 2 79 79 GLU C C 13 179.826 0.100 . 1 . . . B 194 GLU C . 11544 2
880 . 2 2 79 79 GLU CA C 13 59.465 0.100 . 1 . . . B 194 GLU CA . 11544 2
881 . 2 2 79 79 GLU CB C 13 29.130 0.100 . 1 . . . B 194 GLU CB . 11544 2
882 . 2 2 79 79 GLU CG C 13 36.528 0.100 . 1 . . . B 194 GLU CG . 11544 2
883 . 2 2 79 79 GLU N N 15 118.382 0.3 . 1 . . . B 194 GLU N . 11544 2
884 . 2 2 80 80 LYS H H 1 7.682 0.03 . 1 . . . B 195 LYS H . 11544 2
885 . 2 2 80 80 LYS HA H 1 3.985 0.03 . 1 . . . B 195 LYS HA . 11544 2
886 . 2 2 80 80 LYS HB2 H 1 1.735 0.03 . 2 . . . B 195 LYS HB2 . 11544 2
887 . 2 2 80 80 LYS HB3 H 1 1.872 0.03 . 2 . . . B 195 LYS HB3 . 11544 2
888 . 2 2 80 80 LYS HG2 H 1 1.391 0.03 . 2 . . . B 195 LYS HG2 . 11544 2
889 . 2 2 80 80 LYS HG3 H 1 1.611 0.03 . 2 . . . B 195 LYS HG3 . 11544 2
890 . 2 2 80 80 LYS HD2 H 1 1.490 0.03 . 2 . . . B 195 LYS HD2 . 11544 2
891 . 2 2 80 80 LYS HD3 H 1 1.572 0.03 . 2 . . . B 195 LYS HD3 . 11544 2
892 . 2 2 80 80 LYS HE2 H 1 2.785 0.03 . 2 . . . B 195 LYS HE2 . 11544 2
893 . 2 2 80 80 LYS HE3 H 1 2.945 0.03 . 2 . . . B 195 LYS HE3 . 11544 2
894 . 2 2 80 80 LYS C C 13 178.776 0.100 . 1 . . . B 195 LYS C . 11544 2
895 . 2 2 80 80 LYS CA C 13 59.160 0.100 . 1 . . . B 195 LYS CA . 11544 2
896 . 2 2 80 80 LYS CB C 13 32.665 0.072 . 1 . . . B 195 LYS CB . 11544 2
897 . 2 2 80 80 LYS CG C 13 25.393 0.069 . 1 . . . B 195 LYS CG . 11544 2
898 . 2 2 80 80 LYS CD C 13 29.813 0.018 . 1 . . . B 195 LYS CD . 11544 2
899 . 2 2 80 80 LYS CE C 13 42.121 0.100 . 1 . . . B 195 LYS CE . 11544 2
900 . 2 2 80 80 LYS N N 15 118.218 0.3 . 1 . . . B 195 LYS N . 11544 2
901 . 2 2 81 81 LEU H H 1 7.740 0.03 . 1 . . . B 196 LEU H . 11544 2
902 . 2 2 81 81 LEU HA H 1 4.020 0.03 . 1 . . . B 196 LEU HA . 11544 2
903 . 2 2 81 81 LEU HB2 H 1 1.796 0.03 . 2 . . . B 196 LEU HB2 . 11544 2
904 . 2 2 81 81 LEU HB3 H 1 1.365 0.03 . 2 . . . B 196 LEU HB3 . 11544 2
905 . 2 2 81 81 LEU HG H 1 1.939 0.03 . 1 . . . B 196 LEU HG . 11544 2
906 . 2 2 81 81 LEU HD11 H 1 0.742 0.03 . 2 . . . B 196 LEU HD11 . 11544 2
907 . 2 2 81 81 LEU HD12 H 1 0.742 0.03 . 2 . . . B 196 LEU HD12 . 11544 2
908 . 2 2 81 81 LEU HD13 H 1 0.742 0.03 . 2 . . . B 196 LEU HD13 . 11544 2
909 . 2 2 81 81 LEU HD21 H 1 0.597 0.03 . 2 . . . B 196 LEU HD21 . 11544 2
910 . 2 2 81 81 LEU HD22 H 1 0.597 0.03 . 2 . . . B 196 LEU HD22 . 11544 2
911 . 2 2 81 81 LEU HD23 H 1 0.597 0.03 . 2 . . . B 196 LEU HD23 . 11544 2
912 . 2 2 81 81 LEU C C 13 177.019 0.100 . 1 . . . B 196 LEU C . 11544 2
913 . 2 2 81 81 LEU CA C 13 56.476 0.100 . 1 . . . B 196 LEU CA . 11544 2
914 . 2 2 81 81 LEU CB C 13 42.797 0.001 . 1 . . . B 196 LEU CB . 11544 2
915 . 2 2 81 81 LEU CG C 13 26.951 0.100 . 1 . . . B 196 LEU CG . 11544 2
916 . 2 2 81 81 LEU CD1 C 13 23.855 0.100 . 2 . . . B 196 LEU CD1 . 11544 2
917 . 2 2 81 81 LEU CD2 C 13 25.834 0.100 . 2 . . . B 196 LEU CD2 . 11544 2
918 . 2 2 81 81 LEU N N 15 116.925 0.3 . 1 . . . B 196 LEU N . 11544 2
919 . 2 2 82 82 GLN H H 1 7.622 0.03 . 1 . . . B 197 GLN H . 11544 2
920 . 2 2 82 82 GLN HA H 1 4.309 0.03 . 1 . . . B 197 GLN HA . 11544 2
921 . 2 2 82 82 GLN HB2 H 1 1.938 0.03 . 2 . . . B 197 GLN HB2 . 11544 2
922 . 2 2 82 82 GLN HB3 H 1 2.054 0.03 . 2 . . . B 197 GLN HB3 . 11544 2
923 . 2 2 82 82 GLN HG2 H 1 2.377 0.03 . 2 . . . B 197 GLN HG2 . 11544 2
924 . 2 2 82 82 GLN HG3 H 1 2.240 0.03 . 2 . . . B 197 GLN HG3 . 11544 2
925 . 2 2 82 82 GLN HE21 H 1 6.685 0.03 . 1 . . . B 197 GLN HE21 . 11544 2
926 . 2 2 82 82 GLN HE22 H 1 7.439 0.03 . 1 . . . B 197 GLN HE22 . 11544 2
927 . 2 2 82 82 GLN CA C 13 55.939 0.100 . 1 . . . B 197 GLN CA . 11544 2
928 . 2 2 82 82 GLN CB C 13 29.455 0.100 . 1 . . . B 197 GLN CB . 11544 2
929 . 2 2 82 82 GLN CG C 13 34.001 0.032 . 1 . . . B 197 GLN CG . 11544 2
930 . 2 2 82 82 GLN N N 15 115.762 0.3 . 1 . . . B 197 GLN N . 11544 2
931 . 2 2 82 82 GLN NE2 N 15 110.785 0.006 . 1 . . . B 197 GLN NE2 . 11544 2
932 . 2 2 83 83 SER HA H 1 4.345 0.03 . 1 . . . B 198 SER HA . 11544 2
933 . 2 2 83 83 SER HB2 H 1 3.849 0.03 . 2 . . . B 198 SER HB2 . 11544 2
934 . 2 2 83 83 SER HB3 H 1 3.779 0.03 . 2 . . . B 198 SER HB3 . 11544 2
935 . 2 2 83 83 SER CA C 13 58.549 0.100 . 1 . . . B 198 SER CA . 11544 2
936 . 2 2 83 83 SER CB C 13 64.029 0.081 . 1 . . . B 198 SER CB . 11544 2
937 . 2 2 84 84 HIS H H 1 7.971 0.03 . 1 . . . B 199 HIS H . 11544 2
938 . 2 2 84 84 HIS HA H 1 4.405 0.03 . 1 . . . B 199 HIS HA . 11544 2
939 . 2 2 84 84 HIS HB2 H 1 2.973 0.03 . 2 . . . B 199 HIS HB2 . 11544 2
940 . 2 2 84 84 HIS HB3 H 1 3.102 0.03 . 2 . . . B 199 HIS HB3 . 11544 2
941 . 2 2 84 84 HIS CA C 13 57.655 0.100 . 1 . . . B 199 HIS CA . 11544 2
942 . 2 2 84 84 HIS CB C 13 31.040 0.013 . 1 . . . B 199 HIS CB . 11544 2
943 . 2 2 84 84 HIS N N 15 126.098 0.3 . 1 . . . B 199 HIS N . 11544 2
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