###################################
# 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_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 36111
_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 $chem_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 15N-1H HSQC' 1 $sample_1 isotropic 36111 1
2 '3D HNCO' 1 $sample_1 isotropic 36111 1
3 '3D HN(CA)CO' 1 $sample_1 isotropic 36111 1
4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36111 1
5 '3D CBCANH' 1 $sample_1 isotropic 36111 1
6 '3D (H)C(CO)NH-TOCSY' 1 $sample_1 isotropic 36111 1
7 '3D HBHA(CBCA)-(CO)NH' 1 $sample_1 isotropic 36111 1
8 '3D H(C)(CO)NH-TOCSY' 1 $sample_1 isotropic 36111 1
9 '3D HCCH-COSY' 2 $sample_2 isotropic 36111 1
10 '3D HCCH-TOCSY' 2 $sample_2 isotropic 36111 1
11 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36111 1
12 '3D 1H-13C NOESY' 2 $sample_2 isotropic 36111 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.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 PRO HA H 1 4.443 0.011 . . . . . . A 37 PRO HA . 36111 1
2 . 1 1 2 2 PRO HB2 H 1 2.267 0.003 . . . . . . A 37 PRO HB2 . 36111 1
3 . 1 1 2 2 PRO HB3 H 1 1.827 0.015 . . . . . . A 37 PRO HB3 . 36111 1
4 . 1 1 2 2 PRO HG2 H 1 2.018 0.009 . . . . . . A 37 PRO HG2 . 36111 1
5 . 1 1 2 2 PRO HG3 H 1 2.018 0.009 . . . . . . A 37 PRO HG3 . 36111 1
6 . 1 1 2 2 PRO HD2 H 1 3.839 0.013 . . . . . . A 37 PRO HD2 . 36111 1
7 . 1 1 2 2 PRO HD3 H 1 3.710 0.017 . . . . . . A 37 PRO HD3 . 36111 1
8 . 1 1 2 2 PRO CA C 13 63.081 0.050 . . . . . . A 37 PRO CA . 36111 1
9 . 1 1 2 2 PRO CB C 13 32.028 0.144 . . . . . . A 37 PRO CB . 36111 1
10 . 1 1 2 2 PRO CG C 13 27.437 0.017 . . . . . . A 37 PRO CG . 36111 1
11 . 1 1 2 2 PRO CD C 13 50.677 0.015 . . . . . . A 37 PRO CD . 36111 1
12 . 1 1 3 3 VAL H H 1 8.610 0.004 . . . . . . A 38 VAL H . 36111 1
13 . 1 1 3 3 VAL HA H 1 4.100 0.021 . . . . . . A 38 VAL HA . 36111 1
14 . 1 1 3 3 VAL HB H 1 2.034 0.014 . . . . . . A 38 VAL HB . 36111 1
15 . 1 1 3 3 VAL HG11 H 1 0.980 0.014 . . . . . . A 38 VAL HG11 . 36111 1
16 . 1 1 3 3 VAL HG12 H 1 0.980 0.014 . . . . . . A 38 VAL HG12 . 36111 1
17 . 1 1 3 3 VAL HG13 H 1 0.980 0.014 . . . . . . A 38 VAL HG13 . 36111 1
18 . 1 1 3 3 VAL HG21 H 1 0.678 0.022 . . . . . . A 38 VAL HG21 . 36111 1
19 . 1 1 3 3 VAL HG22 H 1 0.678 0.022 . . . . . . A 38 VAL HG22 . 36111 1
20 . 1 1 3 3 VAL HG23 H 1 0.678 0.022 . . . . . . A 38 VAL HG23 . 36111 1
21 . 1 1 3 3 VAL CA C 13 62.597 0.075 . . . . . . A 38 VAL CA . 36111 1
22 . 1 1 3 3 VAL CB C 13 32.113 0.214 . . . . . . A 38 VAL CB . 36111 1
23 . 1 1 3 3 VAL CG1 C 13 22.195 0.124 . . . . . . A 38 VAL CG1 . 36111 1
24 . 1 1 3 3 VAL CG2 C 13 22.195 0.124 . . . . . . A 38 VAL CG2 . 36111 1
25 . 1 1 3 3 VAL N N 15 124.018 0.047 . . . . . . A 38 VAL N . 36111 1
26 . 1 1 4 4 THR H H 1 8.082 0.010 . . . . . . A 39 THR H . 36111 1
27 . 1 1 4 4 THR HA H 1 4.835 0.023 . . . . . . A 39 THR HA . 36111 1
28 . 1 1 4 4 THR HB H 1 4.621 0.014 . . . . . . A 39 THR HB . 36111 1
29 . 1 1 4 4 THR HG21 H 1 1.209 0.020 . . . . . . A 39 THR HG21 . 36111 1
30 . 1 1 4 4 THR HG22 H 1 1.209 0.020 . . . . . . A 39 THR HG22 . 36111 1
31 . 1 1 4 4 THR HG23 H 1 1.209 0.020 . . . . . . A 39 THR HG23 . 36111 1
32 . 1 1 4 4 THR CA C 13 58.842 0.075 . . . . . . A 39 THR CA . 36111 1
33 . 1 1 4 4 THR CB C 13 72.654 0.244 . . . . . . A 39 THR CB . 36111 1
34 . 1 1 4 4 THR CG2 C 13 21.470 0.032 . . . . . . A 39 THR CG2 . 36111 1
35 . 1 1 4 4 THR N N 15 114.974 0.040 . . . . . . A 39 THR N . 36111 1
36 . 1 1 5 5 GLU H H 1 9.194 0.011 . . . . . . A 40 GLU H . 36111 1
37 . 1 1 5 5 GLU HA H 1 3.784 0.014 . . . . . . A 40 GLU HA . 36111 1
38 . 1 1 5 5 GLU HB2 H 1 2.203 0.016 . . . . . . A 40 GLU HB2 . 36111 1
39 . 1 1 5 5 GLU HB3 H 1 2.050 0.018 . . . . . . A 40 GLU HB3 . 36111 1
40 . 1 1 5 5 GLU HG2 H 1 2.544 0.015 . . . . . . A 40 GLU HG2 . 36111 1
41 . 1 1 5 5 GLU HG3 H 1 2.307 0.008 . . . . . . A 40 GLU HG3 . 36111 1
42 . 1 1 5 5 GLU CA C 13 59.671 0.135 . . . . . . A 40 GLU CA . 36111 1
43 . 1 1 5 5 GLU CB C 13 29.281 0.163 . . . . . . A 40 GLU CB . 36111 1
44 . 1 1 5 5 GLU CG C 13 36.798 0.049 . . . . . . A 40 GLU CG . 36111 1
45 . 1 1 5 5 GLU N N 15 120.515 0.044 . . . . . . A 40 GLU N . 36111 1
46 . 1 1 6 6 GLN H H 1 8.495 0.010 . . . . . . A 41 GLN H . 36111 1
47 . 1 1 6 6 GLN HA H 1 3.873 0.028 . . . . . . A 41 GLN HA . 36111 1
48 . 1 1 6 6 GLN HB2 H 1 1.855 0.025 . . . . . . A 41 GLN HB2 . 36111 1
49 . 1 1 6 6 GLN HB3 H 1 1.855 0.025 . . . . . . A 41 GLN HB3 . 36111 1
50 . 1 1 6 6 GLN HG2 H 1 2.356 0.023 . . . . . . A 41 GLN HG2 . 36111 1
51 . 1 1 6 6 GLN HG3 H 1 2.356 0.023 . . . . . . A 41 GLN HG3 . 36111 1
52 . 1 1 6 6 GLN CA C 13 58.622 0.101 . . . . . . A 41 GLN CA . 36111 1
53 . 1 1 6 6 GLN CB C 13 27.469 0.212 . . . . . . A 41 GLN CB . 36111 1
54 . 1 1 6 6 GLN CG C 13 32.959 0.015 . . . . . . A 41 GLN CG . 36111 1
55 . 1 1 6 6 GLN N N 15 117.545 0.028 . . . . . . A 41 GLN N . 36111 1
56 . 1 1 7 7 GLY H H 1 8.260 0.013 . . . . . . A 42 GLY H . 36111 1
57 . 1 1 7 7 GLY HA2 H 1 3.907 0.019 . . . . . . A 42 GLY HA2 . 36111 1
58 . 1 1 7 7 GLY HA3 H 1 3.706 0.010 . . . . . . A 42 GLY HA3 . 36111 1
59 . 1 1 7 7 GLY CA C 13 46.488 0.054 . . . . . . A 42 GLY CA . 36111 1
60 . 1 1 7 7 GLY N N 15 108.739 0.028 . . . . . . A 42 GLY N . 36111 1
61 . 1 1 8 8 LEU H H 1 7.893 0.002 . . . . . . A 43 LEU H . 36111 1
62 . 1 1 8 8 LEU HA H 1 3.787 0.016 . . . . . . A 43 LEU HA . 36111 1
63 . 1 1 8 8 LEU HB2 H 1 1.616 0.020 . . . . . . A 43 LEU HB2 . 36111 1
64 . 1 1 8 8 LEU HB3 H 1 0.953 0.026 . . . . . . A 43 LEU HB3 . 36111 1
65 . 1 1 8 8 LEU HG H 1 1.310 0.022 . . . . . . A 43 LEU HG . 36111 1
66 . 1 1 8 8 LEU HD11 H 1 0.324 0.025 . . . . . . A 43 LEU HD11 . 36111 1
67 . 1 1 8 8 LEU HD12 H 1 0.324 0.025 . . . . . . A 43 LEU HD12 . 36111 1
68 . 1 1 8 8 LEU HD13 H 1 0.324 0.025 . . . . . . A 43 LEU HD13 . 36111 1
69 . 1 1 8 8 LEU HD21 H 1 -0.152 0.013 . . . . . . A 43 LEU HD21 . 36111 1
70 . 1 1 8 8 LEU HD22 H 1 -0.152 0.013 . . . . . . A 43 LEU HD22 . 36111 1
71 . 1 1 8 8 LEU HD23 H 1 -0.152 0.013 . . . . . . A 43 LEU HD23 . 36111 1
72 . 1 1 8 8 LEU CA C 13 57.775 0.066 . . . . . . A 43 LEU CA . 36111 1
73 . 1 1 8 8 LEU CB C 13 41.967 0.119 . . . . . . A 43 LEU CB . 36111 1
74 . 1 1 8 8 LEU CG C 13 26.425 0.062 . . . . . . A 43 LEU CG . 36111 1
75 . 1 1 8 8 LEU CD1 C 13 23.032 0.053 . . . . . . A 43 LEU CD1 . 36111 1
76 . 1 1 8 8 LEU CD2 C 13 24.441 0.037 . . . . . . A 43 LEU CD2 . 36111 1
77 . 1 1 8 8 LEU N N 15 121.225 0.042 . . . . . . A 43 LEU N . 36111 1
78 . 1 1 9 9 ARG H H 1 8.086 0.009 . . . . . . A 44 ARG H . 36111 1
79 . 1 1 9 9 ARG HA H 1 3.570 0.050 . . . . . . A 44 ARG HA . 36111 1
80 . 1 1 9 9 ARG HB2 H 1 1.925 0.024 . . . . . . A 44 ARG HB2 . 36111 1
81 . 1 1 9 9 ARG HB3 H 1 1.788 0.011 . . . . . . A 44 ARG HB3 . 36111 1
82 . 1 1 9 9 ARG HG2 H 1 1.522 0.009 . . . . . . A 44 ARG HG2 . 36111 1
83 . 1 1 9 9 ARG HG3 H 1 1.401 0.008 . . . . . . A 44 ARG HG3 . 36111 1
84 . 1 1 9 9 ARG HD2 H 1 3.142 0.015 . . . . . . A 44 ARG HD2 . 36111 1
85 . 1 1 9 9 ARG HD3 H 1 3.142 0.015 . . . . . . A 44 ARG HD3 . 36111 1
86 . 1 1 9 9 ARG CA C 13 60.518 0.081 . . . . . . A 44 ARG CA . 36111 1
87 . 1 1 9 9 ARG CB C 13 29.839 0.218 . . . . . . A 44 ARG CB . 36111 1
88 . 1 1 9 9 ARG CG C 13 27.886 0.074 . . . . . . A 44 ARG CG . 36111 1
89 . 1 1 9 9 ARG CD C 13 43.357 0.065 . . . . . . A 44 ARG CD . 36111 1
90 . 1 1 9 9 ARG N N 15 118.323 0.099 . . . . . . A 44 ARG N . 36111 1
91 . 1 1 10 10 GLU H H 1 8.168 0.002 . . . . . . A 45 GLU H . 36111 1
92 . 1 1 10 10 GLU HA H 1 3.954 0.022 . . . . . . A 45 GLU HA . 36111 1
93 . 1 1 10 10 GLU HB2 H 1 2.062 0.008 . . . . . . A 45 GLU HB2 . 36111 1
94 . 1 1 10 10 GLU HB3 H 1 2.062 0.008 . . . . . . A 45 GLU HB3 . 36111 1
95 . 1 1 10 10 GLU HG2 H 1 2.476 0.017 . . . . . . A 45 GLU HG2 . 36111 1
96 . 1 1 10 10 GLU HG3 H 1 2.211 0.011 . . . . . . A 45 GLU HG3 . 36111 1
97 . 1 1 10 10 GLU CA C 13 59.178 0.049 . . . . . . A 45 GLU CA . 36111 1
98 . 1 1 10 10 GLU CB C 13 29.008 0.140 . . . . . . A 45 GLU CB . 36111 1
99 . 1 1 10 10 GLU CG C 13 36.628 0.072 . . . . . . A 45 GLU CG . 36111 1
100 . 1 1 10 10 GLU N N 15 117.052 0.043 . . . . . . A 45 GLU N . 36111 1
101 . 1 1 11 11 ARG H H 1 7.806 0.005 . . . . . . A 46 ARG H . 36111 1
102 . 1 1 11 11 ARG HA H 1 3.993 0.014 . . . . . . A 46 ARG HA . 36111 1
103 . 1 1 11 11 ARG HB2 H 1 1.806 0.000 . . . . . . A 46 ARG HB2 . 36111 1
104 . 1 1 11 11 ARG HB3 H 1 1.755 0.019 . . . . . . A 46 ARG HB3 . 36111 1
105 . 1 1 11 11 ARG HG2 H 1 1.851 0.010 . . . . . . A 46 ARG HG2 . 36111 1
106 . 1 1 11 11 ARG HG3 H 1 1.585 0.008 . . . . . . A 46 ARG HG3 . 36111 1
107 . 1 1 11 11 ARG HD2 H 1 3.210 0.019 . . . . . . A 46 ARG HD2 . 36111 1
108 . 1 1 11 11 ARG HD3 H 1 3.169 0.003 . . . . . . A 46 ARG HD3 . 36111 1
109 . 1 1 11 11 ARG CA C 13 57.908 0.129 . . . . . . A 46 ARG CA . 36111 1
110 . 1 1 11 11 ARG CB C 13 29.570 0.167 . . . . . . A 46 ARG CB . 36111 1
111 . 1 1 11 11 ARG CG C 13 26.261 0.075 . . . . . . A 46 ARG CG . 36111 1
112 . 1 1 11 11 ARG CD C 13 42.371 0.061 . . . . . . A 46 ARG CD . 36111 1
113 . 1 1 11 11 ARG N N 15 118.916 0.082 . . . . . . A 46 ARG N . 36111 1
114 . 1 1 12 12 ILE H H 1 8.005 0.003 . . . . . . A 47 ILE H . 36111 1
115 . 1 1 12 12 ILE HA H 1 3.392 0.019 . . . . . . A 47 ILE HA . 36111 1
116 . 1 1 12 12 ILE HB H 1 1.788 0.022 . . . . . . A 47 ILE HB . 36111 1
117 . 1 1 12 12 ILE HG12 H 1 1.749 0.005 . . . . . . A 47 ILE HG12 . 36111 1
118 . 1 1 12 12 ILE HG13 H 1 0.786 0.010 . . . . . . A 47 ILE HG13 . 36111 1
119 . 1 1 12 12 ILE HG21 H 1 0.783 0.012 . . . . . . A 47 ILE HG21 . 36111 1
120 . 1 1 12 12 ILE HG22 H 1 0.783 0.012 . . . . . . A 47 ILE HG22 . 36111 1
121 . 1 1 12 12 ILE HG23 H 1 0.783 0.012 . . . . . . A 47 ILE HG23 . 36111 1
122 . 1 1 12 12 ILE HD11 H 1 0.646 0.011 . . . . . . A 47 ILE HD11 . 36111 1
123 . 1 1 12 12 ILE HD12 H 1 0.646 0.011 . . . . . . A 47 ILE HD12 . 36111 1
124 . 1 1 12 12 ILE HD13 H 1 0.646 0.011 . . . . . . A 47 ILE HD13 . 36111 1
125 . 1 1 12 12 ILE CA C 13 65.762 0.080 . . . . . . A 47 ILE CA . 36111 1
126 . 1 1 12 12 ILE CB C 13 37.411 0.294 . . . . . . A 47 ILE CB . 36111 1
127 . 1 1 12 12 ILE CG1 C 13 30.228 0.103 . . . . . . A 47 ILE CG1 . 36111 1
128 . 1 1 12 12 ILE CG2 C 13 18.398 0.064 . . . . . . A 47 ILE CG2 . 36111 1
129 . 1 1 12 12 ILE CD1 C 13 13.772 0.024 . . . . . . A 47 ILE CD1 . 36111 1
130 . 1 1 12 12 ILE N N 15 119.757 0.072 . . . . . . A 47 ILE N . 36111 1
131 . 1 1 13 13 GLU H H 1 8.602 0.007 . . . . . . A 48 GLU H . 36111 1
132 . 1 1 13 13 GLU HA H 1 3.844 0.006 . . . . . . A 48 GLU HA . 36111 1
133 . 1 1 13 13 GLU HB2 H 1 1.975 0.026 . . . . . . A 48 GLU HB2 . 36111 1
134 . 1 1 13 13 GLU HB3 H 1 1.950 0.013 . . . . . . A 48 GLU HB3 . 36111 1
135 . 1 1 13 13 GLU HG2 H 1 2.376 0.016 . . . . . . A 48 GLU HG2 . 36111 1
136 . 1 1 13 13 GLU HG3 H 1 2.057 0.018 . . . . . . A 48 GLU HG3 . 36111 1
137 . 1 1 13 13 GLU CA C 13 59.579 0.105 . . . . . . A 48 GLU CA . 36111 1
138 . 1 1 13 13 GLU CB C 13 29.433 0.169 . . . . . . A 48 GLU CB . 36111 1
139 . 1 1 13 13 GLU CG C 13 37.870 0.036 . . . . . . A 48 GLU CG . 36111 1
140 . 1 1 13 13 GLU N N 15 117.636 0.027 . . . . . . A 48 GLU N . 36111 1
141 . 1 1 14 14 SER H H 1 7.489 0.008 . . . . . . A 49 SER H . 36111 1
142 . 1 1 14 14 SER HA H 1 4.250 0.014 . . . . . . A 49 SER HA . 36111 1
143 . 1 1 14 14 SER HB2 H 1 3.893 0.017 . . . . . . A 49 SER HB2 . 36111 1
144 . 1 1 14 14 SER HB3 H 1 3.893 0.017 . . . . . . A 49 SER HB3 . 36111 1
145 . 1 1 14 14 SER CA C 13 59.963 0.068 . . . . . . A 49 SER CA . 36111 1
146 . 1 1 14 14 SER CB C 13 63.509 0.121 . . . . . . A 49 SER CB . 36111 1
147 . 1 1 14 14 SER N N 15 109.970 0.023 . . . . . . A 49 SER N . 36111 1
148 . 1 1 15 15 ALA H H 1 7.316 0.005 . . . . . . A 50 ALA H . 36111 1
149 . 1 1 15 15 ALA HA H 1 4.332 0.018 . . . . . . A 50 ALA HA . 36111 1
150 . 1 1 15 15 ALA HB1 H 1 1.424 0.017 . . . . . . A 50 ALA HB1 . 36111 1
151 . 1 1 15 15 ALA HB2 H 1 1.424 0.017 . . . . . . A 50 ALA HB2 . 36111 1
152 . 1 1 15 15 ALA HB3 H 1 1.424 0.017 . . . . . . A 50 ALA HB3 . 36111 1
153 . 1 1 15 15 ALA CA C 13 52.926 0.070 . . . . . . A 50 ALA CA . 36111 1
154 . 1 1 15 15 ALA CB C 13 21.759 0.169 . . . . . . A 50 ALA CB . 36111 1
155 . 1 1 15 15 ALA N N 15 122.147 0.022 . . . . . . A 50 ALA N . 36111 1
156 . 1 1 16 16 ILE H H 1 8.001 0.006 . . . . . . A 51 ILE H . 36111 1
157 . 1 1 16 16 ILE HA H 1 3.954 0.010 . . . . . . A 51 ILE HA . 36111 1
158 . 1 1 16 16 ILE HB H 1 1.809 0.011 . . . . . . A 51 ILE HB . 36111 1
159 . 1 1 16 16 ILE HG12 H 1 1.411 0.016 . . . . . . A 51 ILE HG12 . 36111 1
160 . 1 1 16 16 ILE HG13 H 1 1.175 0.016 . . . . . . A 51 ILE HG13 . 36111 1
161 . 1 1 16 16 ILE HG21 H 1 0.639 0.007 . . . . . . A 51 ILE HG21 . 36111 1
162 . 1 1 16 16 ILE HG22 H 1 0.639 0.007 . . . . . . A 51 ILE HG22 . 36111 1
163 . 1 1 16 16 ILE HG23 H 1 0.639 0.007 . . . . . . A 51 ILE HG23 . 36111 1
164 . 1 1 16 16 ILE HD11 H 1 0.321 0.021 . . . . . . A 51 ILE HD11 . 36111 1
165 . 1 1 16 16 ILE HD12 H 1 0.321 0.021 . . . . . . A 51 ILE HD12 . 36111 1
166 . 1 1 16 16 ILE HD13 H 1 0.321 0.021 . . . . . . A 51 ILE HD13 . 36111 1
167 . 1 1 16 16 ILE CA C 13 55.269 0.098 . . . . . . A 51 ILE CA . 36111 1
168 . 1 1 16 16 ILE CB C 13 36.550 0.201 . . . . . . A 51 ILE CB . 36111 1
169 . 1 1 16 16 ILE CG1 C 13 27.293 0.154 . . . . . . A 51 ILE CG1 . 36111 1
170 . 1 1 16 16 ILE CG2 C 13 10.649 0.022 . . . . . . A 51 ILE CG2 . 36111 1
171 . 1 1 16 16 ILE CD1 C 13 16.014 0.017 . . . . . . A 51 ILE CD1 . 36111 1
172 . 1 1 16 16 ILE N N 15 120.884 0.053 . . . . . . A 51 ILE N . 36111 1
173 . 1 1 17 17 PRO HA H 1 4.219 0.015 . . . . . . A 52 PRO HA . 36111 1
174 . 1 1 17 17 PRO HB2 H 1 2.165 0.010 . . . . . . A 52 PRO HB2 . 36111 1
175 . 1 1 17 17 PRO HB3 H 1 1.653 0.013 . . . . . . A 52 PRO HB3 . 36111 1
176 . 1 1 17 17 PRO HG2 H 1 1.657 0.005 . . . . . . A 52 PRO HG2 . 36111 1
177 . 1 1 17 17 PRO HG3 H 1 1.577 0.019 . . . . . . A 52 PRO HG3 . 36111 1
178 . 1 1 17 17 PRO HD2 H 1 3.236 0.006 . . . . . . A 52 PRO HD2 . 36111 1
179 . 1 1 17 17 PRO HD3 H 1 1.925 0.007 . . . . . . A 52 PRO HD3 . 36111 1
180 . 1 1 17 17 PRO CA C 13 62.411 0.108 . . . . . . A 52 PRO CA . 36111 1
181 . 1 1 17 17 PRO CB C 13 32.757 0.130 . . . . . . A 52 PRO CB . 36111 1
182 . 1 1 17 17 PRO CG C 13 27.274 0.147 . . . . . . A 52 PRO CG . 36111 1
183 . 1 1 17 17 PRO CD C 13 49.774 0.054 . . . . . . A 52 PRO CD . 36111 1
184 . 1 1 18 18 GLN H H 1 8.635 0.002 . . . . . . A 53 GLN H . 36111 1
185 . 1 1 18 18 GLN HA H 1 3.833 0.016 . . . . . . A 53 GLN HA . 36111 1
186 . 1 1 18 18 GLN HB2 H 1 2.295 0.015 . . . . . . A 53 GLN HB2 . 36111 1
187 . 1 1 18 18 GLN HB3 H 1 2.034 0.013 . . . . . . A 53 GLN HB3 . 36111 1
188 . 1 1 18 18 GLN HG2 H 1 2.275 0.002 . . . . . . A 53 GLN HG2 . 36111 1
189 . 1 1 18 18 GLN HG3 H 1 2.210 0.004 . . . . . . A 53 GLN HG3 . 36111 1
190 . 1 1 18 18 GLN CA C 13 55.793 0.076 . . . . . . A 53 GLN CA . 36111 1
191 . 1 1 18 18 GLN CB C 13 27.639 0.149 . . . . . . A 53 GLN CB . 36111 1
192 . 1 1 18 18 GLN CG C 13 34.932 0.014 . . . . . . A 53 GLN CG . 36111 1
193 . 1 1 18 18 GLN N N 15 114.379 0.043 . . . . . . A 53 GLN N . 36111 1
194 . 1 1 19 19 VAL H H 1 8.227 0.008 . . . . . . A 54 VAL H . 36111 1
195 . 1 1 19 19 VAL HA H 1 3.700 0.024 . . . . . . A 54 VAL HA . 36111 1
196 . 1 1 19 19 VAL HB H 1 2.038 0.016 . . . . . . A 54 VAL HB . 36111 1
197 . 1 1 19 19 VAL HG11 H 1 0.802 0.011 . . . . . . A 54 VAL HG11 . 36111 1
198 . 1 1 19 19 VAL HG12 H 1 0.802 0.011 . . . . . . A 54 VAL HG12 . 36111 1
199 . 1 1 19 19 VAL HG13 H 1 0.802 0.011 . . . . . . A 54 VAL HG13 . 36111 1
200 . 1 1 19 19 VAL HG21 H 1 0.779 0.018 . . . . . . A 54 VAL HG21 . 36111 1
201 . 1 1 19 19 VAL HG22 H 1 0.779 0.018 . . . . . . A 54 VAL HG22 . 36111 1
202 . 1 1 19 19 VAL HG23 H 1 0.779 0.018 . . . . . . A 54 VAL HG23 . 36111 1
203 . 1 1 19 19 VAL CA C 13 65.287 0.079 . . . . . . A 54 VAL CA . 36111 1
204 . 1 1 19 19 VAL CB C 13 30.800 0.022 . . . . . . A 54 VAL CB . 36111 1
205 . 1 1 19 19 VAL CG1 C 13 23.288 0.224 . . . . . . A 54 VAL CG1 . 36111 1
206 . 1 1 19 19 VAL CG2 C 13 22.468 0.052 . . . . . . A 54 VAL CG2 . 36111 1
207 . 1 1 19 19 VAL N N 15 119.464 0.031 . . . . . . A 54 VAL N . 36111 1
208 . 1 1 20 20 TYR H H 1 9.185 0.007 . . . . . . A 55 TYR H . 36111 1
209 . 1 1 20 20 TYR HA H 1 4.452 0.011 . . . . . . A 55 TYR HA . 36111 1
210 . 1 1 20 20 TYR HB2 H 1 3.322 0.019 . . . . . . A 55 TYR HB2 . 36111 1
211 . 1 1 20 20 TYR HB3 H 1 2.434 0.021 . . . . . . A 55 TYR HB3 . 36111 1
212 . 1 1 20 20 TYR CA C 13 58.478 0.096 . . . . . . A 55 TYR CA . 36111 1
213 . 1 1 20 20 TYR CB C 13 40.666 0.136 . . . . . . A 55 TYR CB . 36111 1
214 . 1 1 20 20 TYR N N 15 131.307 0.053 . . . . . . A 55 TYR N . 36111 1
215 . 1 1 21 21 HIS H H 1 7.516 0.007 . . . . . . A 56 HIS H . 36111 1
216 . 1 1 21 21 HIS HA H 1 4.687 0.021 . . . . . . A 56 HIS HA . 36111 1
217 . 1 1 21 21 HIS HB2 H 1 2.694 0.020 . . . . . . A 56 HIS HB2 . 36111 1
218 . 1 1 21 21 HIS HB3 H 1 2.061 0.018 . . . . . . A 56 HIS HB3 . 36111 1
219 . 1 1 21 21 HIS CA C 13 55.493 0.067 . . . . . . A 56 HIS CA . 36111 1
220 . 1 1 21 21 HIS CB C 13 34.165 0.193 . . . . . . A 56 HIS CB . 36111 1
221 . 1 1 21 21 HIS N N 15 116.862 0.074 . . . . . . A 56 HIS N . 36111 1
222 . 1 1 22 22 ILE H H 1 7.383 0.007 . . . . . . A 57 ILE H . 36111 1
223 . 1 1 22 22 ILE HA H 1 4.950 0.016 . . . . . . A 57 ILE HA . 36111 1
224 . 1 1 22 22 ILE HB H 1 1.502 0.021 . . . . . . A 57 ILE HB . 36111 1
225 . 1 1 22 22 ILE HG12 H 1 1.685 0.019 . . . . . . A 57 ILE HG12 . 36111 1
226 . 1 1 22 22 ILE HG13 H 1 1.685 0.019 . . . . . . A 57 ILE HG13 . 36111 1
227 . 1 1 22 22 ILE HG21 H 1 0.707 0.018 . . . . . . A 57 ILE HG21 . 36111 1
228 . 1 1 22 22 ILE HG22 H 1 0.707 0.018 . . . . . . A 57 ILE HG22 . 36111 1
229 . 1 1 22 22 ILE HG23 H 1 0.707 0.018 . . . . . . A 57 ILE HG23 . 36111 1
230 . 1 1 22 22 ILE HD11 H 1 0.834 0.014 . . . . . . A 57 ILE HD11 . 36111 1
231 . 1 1 22 22 ILE HD12 H 1 0.834 0.014 . . . . . . A 57 ILE HD12 . 36111 1
232 . 1 1 22 22 ILE HD13 H 1 0.834 0.014 . . . . . . A 57 ILE HD13 . 36111 1
233 . 1 1 22 22 ILE CA C 13 58.639 0.082 . . . . . . A 57 ILE CA . 36111 1
234 . 1 1 22 22 ILE CB C 13 41.487 0.192 . . . . . . A 57 ILE CB . 36111 1
235 . 1 1 22 22 ILE CG1 C 13 28.753 0.127 . . . . . . A 57 ILE CG1 . 36111 1
236 . 1 1 22 22 ILE CG2 C 13 16.402 0.053 . . . . . . A 57 ILE CG2 . 36111 1
237 . 1 1 22 22 ILE CD1 C 13 15.973 0.056 . . . . . . A 57 ILE CD1 . 36111 1
238 . 1 1 22 22 ILE N N 15 124.344 0.019 . . . . . . A 57 ILE N . 36111 1
239 . 1 1 23 23 ILE H H 1 8.735 0.006 . . . . . . A 58 ILE H . 36111 1
240 . 1 1 23 23 ILE HA H 1 4.059 0.016 . . . . . . A 58 ILE HA . 36111 1
241 . 1 1 23 23 ILE HB H 1 1.553 0.020 . . . . . . A 58 ILE HB . 36111 1
242 . 1 1 23 23 ILE HG12 H 1 1.121 0.003 . . . . . . A 58 ILE HG12 . 36111 1
243 . 1 1 23 23 ILE HG13 H 1 1.121 0.003 . . . . . . A 58 ILE HG13 . 36111 1
244 . 1 1 23 23 ILE HG21 H 1 0.856 0.006 . . . . . . A 58 ILE HG21 . 36111 1
245 . 1 1 23 23 ILE HG22 H 1 0.856 0.006 . . . . . . A 58 ILE HG22 . 36111 1
246 . 1 1 23 23 ILE HG23 H 1 0.856 0.006 . . . . . . A 58 ILE HG23 . 36111 1
247 . 1 1 23 23 ILE HD11 H 1 0.974 0.008 . . . . . . A 58 ILE HD11 . 36111 1
248 . 1 1 23 23 ILE HD12 H 1 0.974 0.008 . . . . . . A 58 ILE HD12 . 36111 1
249 . 1 1 23 23 ILE HD13 H 1 0.974 0.008 . . . . . . A 58 ILE HD13 . 36111 1
250 . 1 1 23 23 ILE CA C 13 60.500 0.091 . . . . . . A 58 ILE CA . 36111 1
251 . 1 1 23 23 ILE CB C 13 41.087 0.280 . . . . . . A 58 ILE CB . 36111 1
252 . 1 1 23 23 ILE CG1 C 13 26.944 0.060 . . . . . . A 58 ILE CG1 . 36111 1
253 . 1 1 23 23 ILE CG2 C 13 17.564 0.012 . . . . . . A 58 ILE CG2 . 36111 1
254 . 1 1 23 23 ILE CD1 C 13 13.981 0.019 . . . . . . A 58 ILE CD1 . 36111 1
255 . 1 1 23 23 ILE N N 15 125.929 0.046 . . . . . . A 58 ILE N . 36111 1
256 . 1 1 24 24 VAL H H 1 8.681 0.005 . . . . . . A 59 VAL H . 36111 1
257 . 1 1 24 24 VAL HA H 1 4.602 0.020 . . . . . . A 59 VAL HA . 36111 1
258 . 1 1 24 24 VAL HB H 1 2.004 0.015 . . . . . . A 59 VAL HB . 36111 1
259 . 1 1 24 24 VAL HG11 H 1 0.948 0.018 . . . . . . A 59 VAL HG11 . 36111 1
260 . 1 1 24 24 VAL HG12 H 1 0.948 0.018 . . . . . . A 59 VAL HG12 . 36111 1
261 . 1 1 24 24 VAL HG13 H 1 0.948 0.018 . . . . . . A 59 VAL HG13 . 36111 1
262 . 1 1 24 24 VAL HG21 H 1 0.769 0.021 . . . . . . A 59 VAL HG21 . 36111 1
263 . 1 1 24 24 VAL HG22 H 1 0.769 0.021 . . . . . . A 59 VAL HG22 . 36111 1
264 . 1 1 24 24 VAL HG23 H 1 0.769 0.021 . . . . . . A 59 VAL HG23 . 36111 1
265 . 1 1 24 24 VAL CA C 13 61.522 0.113 . . . . . . A 59 VAL CA . 36111 1
266 . 1 1 24 24 VAL CB C 13 33.929 0.409 . . . . . . A 59 VAL CB . 36111 1
267 . 1 1 24 24 VAL CG1 C 13 22.982 0.347 . . . . . . A 59 VAL CG1 . 36111 1
268 . 1 1 24 24 VAL CG2 C 13 20.615 0.037 . . . . . . A 59 VAL CG2 . 36111 1
269 . 1 1 24 24 VAL N N 15 127.342 0.043 . . . . . . A 59 VAL N . 36111 1
270 . 1 1 25 25 THR H H 1 9.045 0.008 . . . . . . A 60 THR H . 36111 1
271 . 1 1 25 25 THR HA H 1 4.684 0.013 . . . . . . A 60 THR HA . 36111 1
272 . 1 1 25 25 THR HB H 1 3.983 0.013 . . . . . . A 60 THR HB . 36111 1
273 . 1 1 25 25 THR HG21 H 1 1.093 0.014 . . . . . . A 60 THR HG21 . 36111 1
274 . 1 1 25 25 THR HG22 H 1 1.093 0.014 . . . . . . A 60 THR HG22 . 36111 1
275 . 1 1 25 25 THR HG23 H 1 1.093 0.014 . . . . . . A 60 THR HG23 . 36111 1
276 . 1 1 25 25 THR CA C 13 61.175 0.051 . . . . . . A 60 THR CA . 36111 1
277 . 1 1 25 25 THR CB C 13 70.730 0.231 . . . . . . A 60 THR CB . 36111 1
278 . 1 1 25 25 THR CG2 C 13 21.894 0.028 . . . . . . A 60 THR CG2 . 36111 1
279 . 1 1 25 25 THR N N 15 123.291 0.099 . . . . . . A 60 THR N . 36111 1
280 . 1 1 26 26 ASP H H 1 9.796 0.041 . . . . . . A 61 ASP H . 36111 1
281 . 1 1 26 26 ASP HA H 1 4.440 0.018 . . . . . . A 61 ASP HA . 36111 1
282 . 1 1 26 26 ASP HB2 H 1 2.972 0.017 . . . . . . A 61 ASP HB2 . 36111 1
283 . 1 1 26 26 ASP HB3 H 1 2.445 0.022 . . . . . . A 61 ASP HB3 . 36111 1
284 . 1 1 26 26 ASP CA C 13 53.181 0.079 . . . . . . A 61 ASP CA . 36111 1
285 . 1 1 26 26 ASP CB C 13 40.227 0.173 . . . . . . A 61 ASP CB . 36111 1
286 . 1 1 26 26 ASP N N 15 127.830 0.038 . . . . . . A 61 ASP N . 36111 1
287 . 1 1 27 27 LEU H H 1 8.444 0.002 . . . . . . A 62 LEU H . 36111 1
288 . 1 1 27 27 LEU HA H 1 4.166 0.011 . . . . . . A 62 LEU HA . 36111 1
289 . 1 1 27 27 LEU HB2 H 1 1.498 0.020 . . . . . . A 62 LEU HB2 . 36111 1
290 . 1 1 27 27 LEU HB3 H 1 1.250 0.027 . . . . . . A 62 LEU HB3 . 36111 1
291 . 1 1 27 27 LEU HG H 1 1.371 0.026 . . . . . . A 62 LEU HG . 36111 1
292 . 1 1 27 27 LEU HD11 H 1 0.708 0.021 . . . . . . A 62 LEU HD11 . 36111 1
293 . 1 1 27 27 LEU HD12 H 1 0.708 0.021 . . . . . . A 62 LEU HD12 . 36111 1
294 . 1 1 27 27 LEU HD13 H 1 0.708 0.021 . . . . . . A 62 LEU HD13 . 36111 1
295 . 1 1 27 27 LEU HD21 H 1 0.708 0.021 . . . . . . A 62 LEU HD21 . 36111 1
296 . 1 1 27 27 LEU HD22 H 1 0.708 0.021 . . . . . . A 62 LEU HD22 . 36111 1
297 . 1 1 27 27 LEU HD23 H 1 0.708 0.021 . . . . . . A 62 LEU HD23 . 36111 1
298 . 1 1 27 27 LEU CA C 13 54.508 0.129 . . . . . . A 62 LEU CA . 36111 1
299 . 1 1 27 27 LEU CB C 13 41.424 0.151 . . . . . . A 62 LEU CB . 36111 1
300 . 1 1 27 27 LEU CD1 C 13 26.069 0.043 . . . . . . A 62 LEU CD1 . 36111 1
301 . 1 1 27 27 LEU CD2 C 13 26.069 0.043 . . . . . . A 62 LEU CD2 . 36111 1
302 . 1 1 27 27 LEU N N 15 129.863 0.037 . . . . . . A 62 LEU N . 36111 1
303 . 1 1 28 28 SER H H 1 9.178 0.016 . . . . . . A 63 SER H . 36111 1
304 . 1 1 28 28 SER HA H 1 4.135 0.005 . . . . . . A 63 SER HA . 36111 1
305 . 1 1 28 28 SER N N 15 116.684 0.047 . . . . . . A 63 SER N . 36111 1
306 . 1 1 31 31 CYS HA H 1 3.784 0.000 . . . . . . A 66 CYS HA . 36111 1
307 . 1 1 31 31 CYS HB2 H 1 2.252 0.020 . . . . . . A 66 CYS HB2 . 36111 1
308 . 1 1 31 31 CYS HB3 H 1 2.044 0.000 . . . . . . A 66 CYS HB3 . 36111 1
309 . 1 1 31 31 CYS CB C 13 29.652 0.000 . . . . . . A 66 CYS CB . 36111 1
310 . 1 1 32 32 GLY H H 1 7.003 0.014 . . . . . . A 67 GLY H . 36111 1
311 . 1 1 32 32 GLY N N 15 112.286 0.000 . . . . . . A 67 GLY N . 36111 1
312 . 1 1 33 33 GLN HA H 1 3.797 0.000 . . . . . . A 68 GLN HA . 36111 1
313 . 1 1 33 33 GLN HB2 H 1 1.990 0.000 . . . . . . A 68 GLN HB2 . 36111 1
314 . 1 1 33 33 GLN HB3 H 1 1.990 0.000 . . . . . . A 68 GLN HB3 . 36111 1
315 . 1 1 33 33 GLN HG2 H 1 2.546 0.002 . . . . . . A 68 GLN HG2 . 36111 1
316 . 1 1 33 33 GLN HG3 H 1 2.546 0.002 . . . . . . A 68 GLN HG3 . 36111 1
317 . 1 1 33 33 GLN CA C 13 55.898 0.376 . . . . . . A 68 GLN CA . 36111 1
318 . 1 1 33 33 GLN CB C 13 30.928 0.408 . . . . . . A 68 GLN CB . 36111 1
319 . 1 1 34 34 SER H H 1 8.015 0.006 . . . . . . A 69 SER H . 36111 1
320 . 1 1 34 34 SER HA H 1 5.446 0.119 . . . . . . A 69 SER HA . 36111 1
321 . 1 1 34 34 SER HB2 H 1 3.538 0.021 . . . . . . A 69 SER HB2 . 36111 1
322 . 1 1 34 34 SER HB3 H 1 3.402 0.005 . . . . . . A 69 SER HB3 . 36111 1
323 . 1 1 34 34 SER CA C 13 55.874 0.035 . . . . . . A 69 SER CA . 36111 1
324 . 1 1 34 34 SER CB C 13 64.492 0.292 . . . . . . A 69 SER CB . 36111 1
325 . 1 1 34 34 SER N N 15 120.136 0.019 . . . . . . A 69 SER N . 36111 1
326 . 1 1 35 35 PHE H H 1 8.238 0.015 . . . . . . A 70 PHE H . 36111 1
327 . 1 1 35 35 PHE HA H 1 5.641 0.019 . . . . . . A 70 PHE HA . 36111 1
328 . 1 1 35 35 PHE HB2 H 1 2.756 0.021 . . . . . . A 70 PHE HB2 . 36111 1
329 . 1 1 35 35 PHE HB3 H 1 2.551 0.017 . . . . . . A 70 PHE HB3 . 36111 1
330 . 1 1 35 35 PHE CA C 13 56.577 0.165 . . . . . . A 70 PHE CA . 36111 1
331 . 1 1 35 35 PHE CB C 13 44.870 0.119 . . . . . . A 70 PHE CB . 36111 1
332 . 1 1 35 35 PHE N N 15 120.336 0.033 . . . . . . A 70 PHE N . 36111 1
333 . 1 1 36 36 ASP H H 1 8.995 0.013 . . . . . . A 71 ASP H . 36111 1
334 . 1 1 36 36 ASP HA H 1 5.339 0.019 . . . . . . A 71 ASP HA . 36111 1
335 . 1 1 36 36 ASP HB2 H 1 2.538 0.024 . . . . . . A 71 ASP HB2 . 36111 1
336 . 1 1 36 36 ASP HB3 H 1 2.420 0.019 . . . . . . A 71 ASP HB3 . 36111 1
337 . 1 1 36 36 ASP CA C 13 52.950 0.126 . . . . . . A 71 ASP CA . 36111 1
338 . 1 1 36 36 ASP CB C 13 45.211 0.135 . . . . . . A 71 ASP CB . 36111 1
339 . 1 1 36 36 ASP N N 15 122.928 0.041 . . . . . . A 71 ASP N . 36111 1
340 . 1 1 37 37 ILE H H 1 8.527 0.005 . . . . . . A 72 ILE H . 36111 1
341 . 1 1 37 37 ILE HA H 1 5.231 0.015 . . . . . . A 72 ILE HA . 36111 1
342 . 1 1 37 37 ILE HB H 1 1.712 0.018 . . . . . . A 72 ILE HB . 36111 1
343 . 1 1 37 37 ILE HG12 H 1 1.489 0.014 . . . . . . A 72 ILE HG12 . 36111 1
344 . 1 1 37 37 ILE HG13 H 1 1.030 0.023 . . . . . . A 72 ILE HG13 . 36111 1
345 . 1 1 37 37 ILE HG21 H 1 0.743 0.013 . . . . . . A 72 ILE HG21 . 36111 1
346 . 1 1 37 37 ILE HG22 H 1 0.743 0.013 . . . . . . A 72 ILE HG22 . 36111 1
347 . 1 1 37 37 ILE HG23 H 1 0.743 0.013 . . . . . . A 72 ILE HG23 . 36111 1
348 . 1 1 37 37 ILE HD11 H 1 0.669 0.016 . . . . . . A 72 ILE HD11 . 36111 1
349 . 1 1 37 37 ILE HD12 H 1 0.669 0.016 . . . . . . A 72 ILE HD12 . 36111 1
350 . 1 1 37 37 ILE HD13 H 1 0.669 0.016 . . . . . . A 72 ILE HD13 . 36111 1
351 . 1 1 37 37 ILE CA C 13 59.503 0.096 . . . . . . A 72 ILE CA . 36111 1
352 . 1 1 37 37 ILE CB C 13 41.474 0.168 . . . . . . A 72 ILE CB . 36111 1
353 . 1 1 37 37 ILE CG1 C 13 27.963 0.059 . . . . . . A 72 ILE CG1 . 36111 1
354 . 1 1 37 37 ILE CG2 C 13 18.159 0.029 . . . . . . A 72 ILE CG2 . 36111 1
355 . 1 1 37 37 ILE CD1 C 13 14.878 0.034 . . . . . . A 72 ILE CD1 . 36111 1
356 . 1 1 37 37 ILE N N 15 124.242 0.030 . . . . . . A 72 ILE N . 36111 1
357 . 1 1 38 38 VAL H H 1 9.034 0.012 . . . . . . A 73 VAL H . 36111 1
358 . 1 1 38 38 VAL HA H 1 4.942 0.019 . . . . . . A 73 VAL HA . 36111 1
359 . 1 1 38 38 VAL HB H 1 1.748 0.012 . . . . . . A 73 VAL HB . 36111 1
360 . 1 1 38 38 VAL HG11 H 1 1.064 0.013 . . . . . . A 73 VAL HG11 . 36111 1
361 . 1 1 38 38 VAL HG12 H 1 1.064 0.013 . . . . . . A 73 VAL HG12 . 36111 1
362 . 1 1 38 38 VAL HG13 H 1 1.064 0.013 . . . . . . A 73 VAL HG13 . 36111 1
363 . 1 1 38 38 VAL HG21 H 1 0.698 0.015 . . . . . . A 73 VAL HG21 . 36111 1
364 . 1 1 38 38 VAL HG22 H 1 0.698 0.015 . . . . . . A 73 VAL HG22 . 36111 1
365 . 1 1 38 38 VAL HG23 H 1 0.698 0.015 . . . . . . A 73 VAL HG23 . 36111 1
366 . 1 1 38 38 VAL CA C 13 61.087 0.087 . . . . . . A 73 VAL CA . 36111 1
367 . 1 1 38 38 VAL CB C 13 34.743 0.391 . . . . . . A 73 VAL CB . 36111 1
368 . 1 1 38 38 VAL CG1 C 13 21.325 0.301 . . . . . . A 73 VAL CG1 . 36111 1
369 . 1 1 38 38 VAL CG2 C 13 21.325 0.301 . . . . . . A 73 VAL CG2 . 36111 1
370 . 1 1 38 38 VAL N N 15 128.783 0.042 . . . . . . A 73 VAL N . 36111 1
371 . 1 1 39 39 VAL H H 1 8.745 0.002 . . . . . . A 74 VAL H . 36111 1
372 . 1 1 39 39 VAL HA H 1 4.550 0.018 . . . . . . A 74 VAL HA . 36111 1
373 . 1 1 39 39 VAL HB H 1 2.154 0.021 . . . . . . A 74 VAL HB . 36111 1
374 . 1 1 39 39 VAL HG11 H 1 1.013 0.009 . . . . . . A 74 VAL HG11 . 36111 1
375 . 1 1 39 39 VAL HG12 H 1 1.013 0.009 . . . . . . A 74 VAL HG12 . 36111 1
376 . 1 1 39 39 VAL HG13 H 1 1.013 0.009 . . . . . . A 74 VAL HG13 . 36111 1
377 . 1 1 39 39 VAL HG21 H 1 0.958 0.014 . . . . . . A 74 VAL HG21 . 36111 1
378 . 1 1 39 39 VAL HG22 H 1 0.958 0.014 . . . . . . A 74 VAL HG22 . 36111 1
379 . 1 1 39 39 VAL HG23 H 1 0.958 0.014 . . . . . . A 74 VAL HG23 . 36111 1
380 . 1 1 39 39 VAL CA C 13 60.978 0.104 . . . . . . A 74 VAL CA . 36111 1
381 . 1 1 39 39 VAL CB C 13 34.503 0.198 . . . . . . A 74 VAL CB . 36111 1
382 . 1 1 39 39 VAL CG1 C 13 21.907 0.031 . . . . . . A 74 VAL CG1 . 36111 1
383 . 1 1 39 39 VAL CG2 C 13 21.907 0.031 . . . . . . A 74 VAL CG2 . 36111 1
384 . 1 1 39 39 VAL N N 15 124.309 0.034 . . . . . . A 74 VAL N . 36111 1
385 . 1 1 40 40 VAL H H 1 8.779 0.008 . . . . . . A 75 VAL H . 36111 1
386 . 1 1 40 40 VAL HA H 1 5.433 0.232 . . . . . . A 75 VAL HA . 36111 1
387 . 1 1 40 40 VAL HB H 1 2.033 0.013 . . . . . . A 75 VAL HB . 36111 1
388 . 1 1 40 40 VAL HG11 H 1 0.831 0.020 . . . . . . A 75 VAL HG11 . 36111 1
389 . 1 1 40 40 VAL HG12 H 1 0.831 0.020 . . . . . . A 75 VAL HG12 . 36111 1
390 . 1 1 40 40 VAL HG13 H 1 0.831 0.020 . . . . . . A 75 VAL HG13 . 36111 1
391 . 1 1 40 40 VAL HG21 H 1 -0.049 0.005 . . . . . . A 75 VAL HG21 . 36111 1
392 . 1 1 40 40 VAL HG22 H 1 -0.049 0.005 . . . . . . A 75 VAL HG22 . 36111 1
393 . 1 1 40 40 VAL HG23 H 1 -0.049 0.005 . . . . . . A 75 VAL HG23 . 36111 1
394 . 1 1 40 40 VAL CA C 13 59.597 0.088 . . . . . . A 75 VAL CA . 36111 1
395 . 1 1 40 40 VAL CB C 13 32.255 0.291 . . . . . . A 75 VAL CB . 36111 1
396 . 1 1 40 40 VAL CG1 C 13 20.741 0.048 . . . . . . A 75 VAL CG1 . 36111 1
397 . 1 1 40 40 VAL CG2 C 13 18.970 0.018 . . . . . . A 75 VAL CG2 . 36111 1
398 . 1 1 40 40 VAL N N 15 127.499 0.053 . . . . . . A 75 VAL N . 36111 1
399 . 1 1 41 41 SER H H 1 9.710 0.007 . . . . . . A 76 SER H . 36111 1
400 . 1 1 41 41 SER HA H 1 5.054 0.188 . . . . . . A 76 SER HA . 36111 1
401 . 1 1 41 41 SER HB2 H 1 3.860 0.025 . . . . . . A 76 SER HB2 . 36111 1
402 . 1 1 41 41 SER HB3 H 1 3.860 0.025 . . . . . . A 76 SER HB3 . 36111 1
403 . 1 1 41 41 SER CA C 13 57.276 0.346 . . . . . . A 76 SER CA . 36111 1
404 . 1 1 41 41 SER CB C 13 63.671 0.094 . . . . . . A 76 SER CB . 36111 1
405 . 1 1 41 41 SER N N 15 119.906 0.066 . . . . . . A 76 SER N . 36111 1
406 . 1 1 42 42 ASP HA H 1 4.875 0.020 . . . . . . A 77 ASP HA . 36111 1
407 . 1 1 42 42 ASP HB2 H 1 2.838 0.025 . . . . . . A 77 ASP HB2 . 36111 1
408 . 1 1 42 42 ASP HB3 H 1 2.759 0.021 . . . . . . A 77 ASP HB3 . 36111 1
409 . 1 1 42 42 ASP CA C 13 57.009 0.092 . . . . . . A 77 ASP CA . 36111 1
410 . 1 1 42 42 ASP CB C 13 38.603 0.259 . . . . . . A 77 ASP CB . 36111 1
411 . 1 1 43 43 PHE H H 1 8.950 0.006 . . . . . . A 78 PHE H . 36111 1
412 . 1 1 43 43 PHE HA H 1 4.253 0.012 . . . . . . A 78 PHE HA . 36111 1
413 . 1 1 43 43 PHE HB2 H 1 3.046 0.015 . . . . . . A 78 PHE HB2 . 36111 1
414 . 1 1 43 43 PHE HB3 H 1 1.963 0.025 . . . . . . A 78 PHE HB3 . 36111 1
415 . 1 1 43 43 PHE CA C 13 60.096 0.093 . . . . . . A 78 PHE CA . 36111 1
416 . 1 1 43 43 PHE CB C 13 39.823 0.178 . . . . . . A 78 PHE CB . 36111 1
417 . 1 1 43 43 PHE N N 15 124.727 0.053 . . . . . . A 78 PHE N . 36111 1
418 . 1 1 44 44 PHE H H 1 7.274 0.006 . . . . . . A 79 PHE H . 36111 1
419 . 1 1 44 44 PHE HA H 1 4.224 0.009 . . . . . . A 79 PHE HA . 36111 1
420 . 1 1 44 44 PHE HB2 H 1 3.161 0.021 . . . . . . A 79 PHE HB2 . 36111 1
421 . 1 1 44 44 PHE HB3 H 1 2.894 0.041 . . . . . . A 79 PHE HB3 . 36111 1
422 . 1 1 44 44 PHE CA C 13 56.457 0.104 . . . . . . A 79 PHE CA . 36111 1
423 . 1 1 44 44 PHE CB C 13 36.713 0.178 . . . . . . A 79 PHE CB . 36111 1
424 . 1 1 44 44 PHE N N 15 112.312 0.032 . . . . . . A 79 PHE N . 36111 1
425 . 1 1 45 45 GLN H H 1 7.589 0.008 . . . . . . A 80 GLN H . 36111 1
426 . 1 1 45 45 GLN HA H 1 3.927 0.011 . . . . . . A 80 GLN HA . 36111 1
427 . 1 1 45 45 GLN HB2 H 1 2.150 0.002 . . . . . . A 80 GLN HB2 . 36111 1
428 . 1 1 45 45 GLN HB3 H 1 2.083 0.001 . . . . . . A 80 GLN HB3 . 36111 1
429 . 1 1 45 45 GLN HG2 H 1 2.440 0.011 . . . . . . A 80 GLN HG2 . 36111 1
430 . 1 1 45 45 GLN HG3 H 1 2.440 0.011 . . . . . . A 80 GLN HG3 . 36111 1
431 . 1 1 45 45 GLN CA C 13 57.786 0.107 . . . . . . A 80 GLN CA . 36111 1
432 . 1 1 45 45 GLN CB C 13 28.182 0.287 . . . . . . A 80 GLN CB . 36111 1
433 . 1 1 45 45 GLN CG C 13 33.573 0.028 . . . . . . A 80 GLN CG . 36111 1
434 . 1 1 45 45 GLN N N 15 120.606 0.033 . . . . . . A 80 GLN N . 36111 1
435 . 1 1 46 46 GLY HA2 H 1 4.301 0.004 . . . . . . A 81 GLY HA2 . 36111 1
436 . 1 1 46 46 GLY HA3 H 1 3.676 0.006 . . . . . . A 81 GLY HA3 . 36111 1
437 . 1 1 46 46 GLY CA C 13 45.405 0.147 . . . . . . A 81 GLY CA . 36111 1
438 . 1 1 47 47 LYS H H 1 7.800 0.003 . . . . . . A 82 LYS H . 36111 1
439 . 1 1 47 47 LYS HA H 1 4.391 0.011 . . . . . . A 82 LYS HA . 36111 1
440 . 1 1 47 47 LYS HB2 H 1 2.008 0.008 . . . . . . A 82 LYS HB2 . 36111 1
441 . 1 1 47 47 LYS HB3 H 1 1.944 0.000 . . . . . . A 82 LYS HB3 . 36111 1
442 . 1 1 47 47 LYS HE2 H 1 2.565 0.000 . . . . . . A 82 LYS HE2 . 36111 1
443 . 1 1 47 47 LYS HE3 H 1 2.536 0.007 . . . . . . A 82 LYS HE3 . 36111 1
444 . 1 1 47 47 LYS CA C 13 55.266 0.301 . . . . . . A 82 LYS CA . 36111 1
445 . 1 1 47 47 LYS CB C 13 34.473 0.055 . . . . . . A 82 LYS CB . 36111 1
446 . 1 1 47 47 LYS N N 15 119.114 0.052 . . . . . . A 82 LYS N . 36111 1
447 . 1 1 48 48 SER H H 1 8.720 0.006 . . . . . . A 83 SER H . 36111 1
448 . 1 1 48 48 SER HA H 1 4.396 0.022 . . . . . . A 83 SER HA . 36111 1
449 . 1 1 48 48 SER HB2 H 1 4.081 0.006 . . . . . . A 83 SER HB2 . 36111 1
450 . 1 1 48 48 SER HB3 H 1 4.081 0.006 . . . . . . A 83 SER HB3 . 36111 1
451 . 1 1 48 48 SER CA C 13 57.103 0.093 . . . . . . A 83 SER CA . 36111 1
452 . 1 1 48 48 SER CB C 13 64.694 0.064 . . . . . . A 83 SER CB . 36111 1
453 . 1 1 48 48 SER N N 15 122.736 0.067 . . . . . . A 83 SER N . 36111 1
454 . 1 1 50 50 LEU H H 1 8.114 0.007 . . . . . . A 85 LEU H . 36111 1
455 . 1 1 50 50 LEU HA H 1 4.166 0.009 . . . . . . A 85 LEU HA . 36111 1
456 . 1 1 50 50 LEU HB2 H 1 1.654 0.005 . . . . . . A 85 LEU HB2 . 36111 1
457 . 1 1 50 50 LEU HB3 H 1 1.558 0.021 . . . . . . A 85 LEU HB3 . 36111 1
458 . 1 1 50 50 LEU HG H 1 1.538 0.020 . . . . . . A 85 LEU HG . 36111 1
459 . 1 1 50 50 LEU HD11 H 1 0.925 0.008 . . . . . . A 85 LEU HD11 . 36111 1
460 . 1 1 50 50 LEU HD12 H 1 0.925 0.008 . . . . . . A 85 LEU HD12 . 36111 1
461 . 1 1 50 50 LEU HD13 H 1 0.925 0.008 . . . . . . A 85 LEU HD13 . 36111 1
462 . 1 1 50 50 LEU HD21 H 1 0.877 0.003 . . . . . . A 85 LEU HD21 . 36111 1
463 . 1 1 50 50 LEU HD22 H 1 0.877 0.003 . . . . . . A 85 LEU HD22 . 36111 1
464 . 1 1 50 50 LEU HD23 H 1 0.877 0.003 . . . . . . A 85 LEU HD23 . 36111 1
465 . 1 1 50 50 LEU CA C 13 57.830 0.037 . . . . . . A 85 LEU CA . 36111 1
466 . 1 1 50 50 LEU CB C 13 41.759 0.380 . . . . . . A 85 LEU CB . 36111 1
467 . 1 1 50 50 LEU CG C 13 26.841 0.000 . . . . . . A 85 LEU CG . 36111 1
468 . 1 1 50 50 LEU CD1 C 13 24.328 0.231 . . . . . . A 85 LEU CD1 . 36111 1
469 . 1 1 50 50 LEU CD2 C 13 24.328 0.231 . . . . . . A 85 LEU CD2 . 36111 1
470 . 1 1 50 50 LEU N N 15 118.391 0.016 . . . . . . A 85 LEU N . 36111 1
471 . 1 1 51 51 MET H H 1 7.660 0.003 . . . . . . A 86 MET H . 36111 1
472 . 1 1 51 51 MET HA H 1 4.197 0.011 . . . . . . A 86 MET HA . 36111 1
473 . 1 1 51 51 MET HB2 H 1 2.255 0.021 . . . . . . A 86 MET HB2 . 36111 1
474 . 1 1 51 51 MET HB3 H 1 2.041 0.008 . . . . . . A 86 MET HB3 . 36111 1
475 . 1 1 51 51 MET HG2 H 1 2.763 0.012 . . . . . . A 86 MET HG2 . 36111 1
476 . 1 1 51 51 MET HG3 H 1 2.560 0.017 . . . . . . A 86 MET HG3 . 36111 1
477 . 1 1 51 51 MET CA C 13 58.136 0.154 . . . . . . A 86 MET CA . 36111 1
478 . 1 1 51 51 MET CB C 13 32.357 0.137 . . . . . . A 86 MET CB . 36111 1
479 . 1 1 51 51 MET CG C 13 33.146 0.030 . . . . . . A 86 MET CG . 36111 1
480 . 1 1 51 51 MET N N 15 118.865 0.045 . . . . . . A 86 MET N . 36111 1
481 . 1 1 52 52 ARG H H 1 8.668 0.026 . . . . . . A 87 ARG H . 36111 1
482 . 1 1 52 52 ARG HA H 1 3.860 0.027 . . . . . . A 87 ARG HA . 36111 1
483 . 1 1 52 52 ARG HB2 H 1 1.736 0.019 . . . . . . A 87 ARG HB2 . 36111 1
484 . 1 1 52 52 ARG HB3 H 1 1.043 0.027 . . . . . . A 87 ARG HB3 . 36111 1
485 . 1 1 52 52 ARG HD2 H 1 2.721 0.013 . . . . . . A 87 ARG HD2 . 36111 1
486 . 1 1 52 52 ARG HD3 H 1 2.253 0.018 . . . . . . A 87 ARG HD3 . 36111 1
487 . 1 1 52 52 ARG CA C 13 59.833 0.114 . . . . . . A 87 ARG CA . 36111 1
488 . 1 1 52 52 ARG CB C 13 30.338 0.463 . . . . . . A 87 ARG CB . 36111 1
489 . 1 1 52 52 ARG CD C 13 44.132 0.091 . . . . . . A 87 ARG CD . 36111 1
490 . 1 1 52 52 ARG N N 15 119.990 0.028 . . . . . . A 87 ARG N . 36111 1
491 . 1 1 53 53 SER H H 1 7.894 0.012 . . . . . . A 88 SER H . 36111 1
492 . 1 1 53 53 SER HA H 1 3.943 0.019 . . . . . . A 88 SER HA . 36111 1
493 . 1 1 53 53 SER HB2 H 1 3.914 0.018 . . . . . . A 88 SER HB2 . 36111 1
494 . 1 1 53 53 SER HB3 H 1 3.914 0.018 . . . . . . A 88 SER HB3 . 36111 1
495 . 1 1 53 53 SER CA C 13 61.472 0.126 . . . . . . A 88 SER CA . 36111 1
496 . 1 1 53 53 SER CB C 13 62.660 0.141 . . . . . . A 88 SER CB . 36111 1
497 . 1 1 53 53 SER N N 15 112.550 0.059 . . . . . . A 88 SER N . 36111 1
498 . 1 1 54 54 ARG H H 1 8.354 0.007 . . . . . . A 89 ARG H . 36111 1
499 . 1 1 54 54 ARG HA H 1 4.021 0.005 . . . . . . A 89 ARG HA . 36111 1
500 . 1 1 54 54 ARG HB2 H 1 1.944 0.015 . . . . . . A 89 ARG HB2 . 36111 1
501 . 1 1 54 54 ARG HB3 H 1 1.900 0.017 . . . . . . A 89 ARG HB3 . 36111 1
502 . 1 1 54 54 ARG HG2 H 1 1.864 0.001 . . . . . . A 89 ARG HG2 . 36111 1
503 . 1 1 54 54 ARG HG3 H 1 1.683 0.009 . . . . . . A 89 ARG HG3 . 36111 1
504 . 1 1 54 54 ARG HD2 H 1 3.151 0.018 . . . . . . A 89 ARG HD2 . 36111 1
505 . 1 1 54 54 ARG HD3 H 1 3.151 0.018 . . . . . . A 89 ARG HD3 . 36111 1
506 . 1 1 54 54 ARG CA C 13 59.538 0.117 . . . . . . A 89 ARG CA . 36111 1
507 . 1 1 54 54 ARG CB C 13 30.063 0.155 . . . . . . A 89 ARG CB . 36111 1
508 . 1 1 54 54 ARG CG C 13 27.668 0.056 . . . . . . A 89 ARG CG . 36111 1
509 . 1 1 54 54 ARG CD C 13 43.657 0.021 . . . . . . A 89 ARG CD . 36111 1
510 . 1 1 54 54 ARG N N 15 121.504 0.031 . . . . . . A 89 ARG N . 36111 1
511 . 1 1 55 55 ALA H H 1 7.530 0.003 . . . . . . A 90 ALA H . 36111 1
512 . 1 1 55 55 ALA HA H 1 4.253 0.028 . . . . . . A 90 ALA HA . 36111 1
513 . 1 1 55 55 ALA HB1 H 1 1.813 0.014 . . . . . . A 90 ALA HB1 . 36111 1
514 . 1 1 55 55 ALA HB2 H 1 1.813 0.014 . . . . . . A 90 ALA HB2 . 36111 1
515 . 1 1 55 55 ALA HB3 H 1 1.813 0.014 . . . . . . A 90 ALA HB3 . 36111 1
516 . 1 1 55 55 ALA CA C 13 54.933 0.071 . . . . . . A 90 ALA CA . 36111 1
517 . 1 1 55 55 ALA CB C 13 17.663 0.151 . . . . . . A 90 ALA CB . 36111 1
518 . 1 1 55 55 ALA N N 15 120.573 0.046 . . . . . . A 90 ALA N . 36111 1
519 . 1 1 56 56 VAL H H 1 7.520 0.007 . . . . . . A 91 VAL H . 36111 1
520 . 1 1 56 56 VAL HA H 1 3.559 0.023 . . . . . . A 91 VAL HA . 36111 1
521 . 1 1 56 56 VAL HB H 1 2.239 0.024 . . . . . . A 91 VAL HB . 36111 1
522 . 1 1 56 56 VAL HG11 H 1 1.129 0.024 . . . . . . A 91 VAL HG11 . 36111 1
523 . 1 1 56 56 VAL HG12 H 1 1.129 0.024 . . . . . . A 91 VAL HG12 . 36111 1
524 . 1 1 56 56 VAL HG13 H 1 1.129 0.024 . . . . . . A 91 VAL HG13 . 36111 1
525 . 1 1 56 56 VAL HG21 H 1 0.983 0.015 . . . . . . A 91 VAL HG21 . 36111 1
526 . 1 1 56 56 VAL HG22 H 1 0.983 0.015 . . . . . . A 91 VAL HG22 . 36111 1
527 . 1 1 56 56 VAL HG23 H 1 0.983 0.015 . . . . . . A 91 VAL HG23 . 36111 1
528 . 1 1 56 56 VAL CA C 13 66.816 0.071 . . . . . . A 91 VAL CA . 36111 1
529 . 1 1 56 56 VAL CB C 13 31.668 0.242 . . . . . . A 91 VAL CB . 36111 1
530 . 1 1 56 56 VAL CG1 C 13 24.108 0.018 . . . . . . A 91 VAL CG1 . 36111 1
531 . 1 1 56 56 VAL CG2 C 13 21.913 0.023 . . . . . . A 91 VAL CG2 . 36111 1
532 . 1 1 56 56 VAL N N 15 118.189 0.044 . . . . . . A 91 VAL N . 36111 1
533 . 1 1 57 57 ASN H H 1 8.736 0.006 . . . . . . A 92 ASN H . 36111 1
534 . 1 1 57 57 ASN HA H 1 4.048 0.013 . . . . . . A 92 ASN HA . 36111 1
535 . 1 1 57 57 ASN HB2 H 1 2.796 0.023 . . . . . . A 92 ASN HB2 . 36111 1
536 . 1 1 57 57 ASN HB3 H 1 2.543 0.017 . . . . . . A 92 ASN HB3 . 36111 1
537 . 1 1 57 57 ASN CA C 13 56.178 0.066 . . . . . . A 92 ASN CA . 36111 1
538 . 1 1 57 57 ASN CB C 13 38.033 0.132 . . . . . . A 92 ASN CB . 36111 1
539 . 1 1 57 57 ASN N N 15 118.405 0.035 . . . . . . A 92 ASN N . 36111 1
540 . 1 1 58 58 LYS H H 1 7.902 0.009 . . . . . . A 93 LYS H . 36111 1
541 . 1 1 58 58 LYS HA H 1 3.940 0.013 . . . . . . A 93 LYS HA . 36111 1
542 . 1 1 58 58 LYS HB2 H 1 1.869 0.025 . . . . . . A 93 LYS HB2 . 36111 1
543 . 1 1 58 58 LYS HB3 H 1 1.869 0.025 . . . . . . A 93 LYS HB3 . 36111 1
544 . 1 1 58 58 LYS HG2 H 1 1.532 0.007 . . . . . . A 93 LYS HG2 . 36111 1
545 . 1 1 58 58 LYS HG3 H 1 1.426 0.010 . . . . . . A 93 LYS HG3 . 36111 1
546 . 1 1 58 58 LYS HD2 H 1 1.694 0.009 . . . . . . A 93 LYS HD2 . 36111 1
547 . 1 1 58 58 LYS HD3 H 1 1.694 0.009 . . . . . . A 93 LYS HD3 . 36111 1
548 . 1 1 58 58 LYS HE2 H 1 2.964 0.010 . . . . . . A 93 LYS HE2 . 36111 1
549 . 1 1 58 58 LYS HE3 H 1 2.964 0.010 . . . . . . A 93 LYS HE3 . 36111 1
550 . 1 1 58 58 LYS CA C 13 59.111 0.105 . . . . . . A 93 LYS CA . 36111 1
551 . 1 1 58 58 LYS CB C 13 32.289 0.123 . . . . . . A 93 LYS CB . 36111 1
552 . 1 1 58 58 LYS CG C 13 25.172 0.035 . . . . . . A 93 LYS CG . 36111 1
553 . 1 1 58 58 LYS CD C 13 29.257 0.065 . . . . . . A 93 LYS CD . 36111 1
554 . 1 1 58 58 LYS CE C 13 41.803 0.027 . . . . . . A 93 LYS CE . 36111 1
555 . 1 1 58 58 LYS N N 15 117.301 0.032 . . . . . . A 93 LYS N . 36111 1
556 . 1 1 59 59 ALA H H 1 7.298 0.006 . . . . . . A 94 ALA H . 36111 1
557 . 1 1 59 59 ALA HA H 1 4.067 0.006 . . . . . . A 94 ALA HA . 36111 1
558 . 1 1 59 59 ALA HB1 H 1 1.415 0.018 . . . . . . A 94 ALA HB1 . 36111 1
559 . 1 1 59 59 ALA HB2 H 1 1.415 0.018 . . . . . . A 94 ALA HB2 . 36111 1
560 . 1 1 59 59 ALA HB3 H 1 1.415 0.018 . . . . . . A 94 ALA HB3 . 36111 1
561 . 1 1 59 59 ALA CA C 13 54.305 0.050 . . . . . . A 94 ALA CA . 36111 1
562 . 1 1 59 59 ALA CB C 13 18.861 0.151 . . . . . . A 94 ALA CB . 36111 1
563 . 1 1 59 59 ALA N N 15 120.356 0.037 . . . . . . A 94 ALA N . 36111 1
564 . 1 1 60 60 VAL H H 1 7.277 0.009 . . . . . . A 95 VAL H . 36111 1
565 . 1 1 60 60 VAL HA H 1 4.391 0.020 . . . . . . A 95 VAL HA . 36111 1
566 . 1 1 60 60 VAL HB H 1 2.145 0.014 . . . . . . A 95 VAL HB . 36111 1
567 . 1 1 60 60 VAL HG11 H 1 0.545 0.015 . . . . . . A 95 VAL HG11 . 36111 1
568 . 1 1 60 60 VAL HG12 H 1 0.545 0.015 . . . . . . A 95 VAL HG12 . 36111 1
569 . 1 1 60 60 VAL HG13 H 1 0.545 0.015 . . . . . . A 95 VAL HG13 . 36111 1
570 . 1 1 60 60 VAL HG21 H 1 0.483 0.019 . . . . . . A 95 VAL HG21 . 36111 1
571 . 1 1 60 60 VAL HG22 H 1 0.483 0.019 . . . . . . A 95 VAL HG22 . 36111 1
572 . 1 1 60 60 VAL HG23 H 1 0.483 0.019 . . . . . . A 95 VAL HG23 . 36111 1
573 . 1 1 60 60 VAL CA C 13 60.368 0.200 . . . . . . A 95 VAL CA . 36111 1
574 . 1 1 60 60 VAL CB C 13 30.947 0.174 . . . . . . A 95 VAL CB . 36111 1
575 . 1 1 60 60 VAL CG1 C 13 22.253 0.041 . . . . . . A 95 VAL CG1 . 36111 1
576 . 1 1 60 60 VAL CG2 C 13 18.879 0.017 . . . . . . A 95 VAL CG2 . 36111 1
577 . 1 1 60 60 VAL N N 15 107.391 0.023 . . . . . . A 95 VAL N . 36111 1
578 . 1 1 61 61 LYS H H 1 6.996 0.031 . . . . . . A 96 LYS H . 36111 1
579 . 1 1 61 61 LYS HA H 1 3.809 0.021 . . . . . . A 96 LYS HA . 36111 1
580 . 1 1 61 61 LYS HB2 H 1 1.926 0.024 . . . . . . A 96 LYS HB2 . 36111 1
581 . 1 1 61 61 LYS HB3 H 1 1.791 0.014 . . . . . . A 96 LYS HB3 . 36111 1
582 . 1 1 61 61 LYS HG2 H 1 1.372 0.017 . . . . . . A 96 LYS HG2 . 36111 1
583 . 1 1 61 61 LYS HG3 H 1 1.372 0.017 . . . . . . A 96 LYS HG3 . 36111 1
584 . 1 1 61 61 LYS HD2 H 1 1.645 0.004 . . . . . . A 96 LYS HD2 . 36111 1
585 . 1 1 61 61 LYS HD3 H 1 1.645 0.004 . . . . . . A 96 LYS HD3 . 36111 1
586 . 1 1 61 61 LYS HE2 H 1 2.948 0.013 . . . . . . A 96 LYS HE2 . 36111 1
587 . 1 1 61 61 LYS HE3 H 1 2.948 0.013 . . . . . . A 96 LYS HE3 . 36111 1
588 . 1 1 61 61 LYS CA C 13 59.702 0.059 . . . . . . A 96 LYS CA . 36111 1
589 . 1 1 61 61 LYS CB C 13 32.574 0.142 . . . . . . A 96 LYS CB . 36111 1
590 . 1 1 61 61 LYS CG C 13 24.269 0.085 . . . . . . A 96 LYS CG . 36111 1
591 . 1 1 61 61 LYS CD C 13 29.477 0.000 . . . . . . A 96 LYS CD . 36111 1
592 . 1 1 61 61 LYS CE C 13 45.279 0.000 . . . . . . A 96 LYS CE . 36111 1
593 . 1 1 61 61 LYS N N 15 120.439 0.031 . . . . . . A 96 LYS N . 36111 1
594 . 1 1 62 62 GLU H H 1 8.316 0.010 . . . . . . A 97 GLU H . 36111 1
595 . 1 1 62 62 GLU HA H 1 3.990 0.019 . . . . . . A 97 GLU HA . 36111 1
596 . 1 1 62 62 GLU HB2 H 1 1.835 0.018 . . . . . . A 97 GLU HB2 . 36111 1
597 . 1 1 62 62 GLU HB3 H 1 1.835 0.018 . . . . . . A 97 GLU HB3 . 36111 1
598 . 1 1 62 62 GLU HG2 H 1 2.221 0.018 . . . . . . A 97 GLU HG2 . 36111 1
599 . 1 1 62 62 GLU HG3 H 1 2.221 0.018 . . . . . . A 97 GLU HG3 . 36111 1
600 . 1 1 62 62 GLU CA C 13 54.957 7.923 . . . . . . A 97 GLU CA . 36111 1
601 . 1 1 62 62 GLU CB C 13 28.692 0.084 . . . . . . A 97 GLU CB . 36111 1
602 . 1 1 62 62 GLU CG C 13 36.626 0.077 . . . . . . A 97 GLU CG . 36111 1
603 . 1 1 62 62 GLU N N 15 117.960 0.051 . . . . . . A 97 GLU N . 36111 1
604 . 1 1 63 63 GLU H H 1 8.557 0.005 . . . . . . A 98 GLU H . 36111 1
605 . 1 1 63 63 GLU HA H 1 3.934 0.018 . . . . . . A 98 GLU HA . 36111 1
606 . 1 1 63 63 GLU HB2 H 1 1.985 0.000 . . . . . . A 98 GLU HB2 . 36111 1
607 . 1 1 63 63 GLU HB3 H 1 1.985 0.000 . . . . . . A 98 GLU HB3 . 36111 1
608 . 1 1 63 63 GLU HG2 H 1 2.148 0.015 . . . . . . A 98 GLU HG2 . 36111 1
609 . 1 1 63 63 GLU HG3 H 1 2.148 0.015 . . . . . . A 98 GLU HG3 . 36111 1
610 . 1 1 63 63 GLU CA C 13 59.626 0.044 . . . . . . A 98 GLU CA . 36111 1
611 . 1 1 63 63 GLU CB C 13 28.532 0.000 . . . . . . A 98 GLU CB . 36111 1
612 . 1 1 63 63 GLU CG C 13 37.515 0.116 . . . . . . A 98 GLU CG . 36111 1
613 . 1 1 63 63 GLU N N 15 120.877 0.034 . . . . . . A 98 GLU N . 36111 1
614 . 1 1 64 64 LEU H H 1 8.008 0.009 . . . . . . A 99 LEU H . 36111 1
615 . 1 1 64 64 LEU HA H 1 3.969 0.006 . . . . . . A 99 LEU HA . 36111 1
616 . 1 1 64 64 LEU HB2 H 1 1.582 0.019 . . . . . . A 99 LEU HB2 . 36111 1
617 . 1 1 64 64 LEU HB3 H 1 1.410 0.011 . . . . . . A 99 LEU HB3 . 36111 1
618 . 1 1 64 64 LEU HG H 1 1.431 0.002 . . . . . . A 99 LEU HG . 36111 1
619 . 1 1 64 64 LEU HD11 H 1 0.473 0.011 . . . . . . A 99 LEU HD11 . 36111 1
620 . 1 1 64 64 LEU HD12 H 1 0.473 0.011 . . . . . . A 99 LEU HD12 . 36111 1
621 . 1 1 64 64 LEU HD13 H 1 0.473 0.011 . . . . . . A 99 LEU HD13 . 36111 1
622 . 1 1 64 64 LEU HD21 H 1 0.272 0.013 . . . . . . A 99 LEU HD21 . 36111 1
623 . 1 1 64 64 LEU HD22 H 1 0.272 0.013 . . . . . . A 99 LEU HD22 . 36111 1
624 . 1 1 64 64 LEU HD23 H 1 0.272 0.013 . . . . . . A 99 LEU HD23 . 36111 1
625 . 1 1 64 64 LEU CA C 13 56.218 0.052 . . . . . . A 99 LEU CA . 36111 1
626 . 1 1 64 64 LEU CB C 13 41.561 0.111 . . . . . . A 99 LEU CB . 36111 1
627 . 1 1 64 64 LEU CG C 13 26.216 0.019 . . . . . . A 99 LEU CG . 36111 1
628 . 1 1 64 64 LEU CD1 C 13 25.313 0.031 . . . . . . A 99 LEU CD1 . 36111 1
629 . 1 1 64 64 LEU CD2 C 13 22.426 0.057 . . . . . . A 99 LEU CD2 . 36111 1
630 . 1 1 64 64 LEU N N 15 117.028 0.069 . . . . . . A 99 LEU N . 36111 1
631 . 1 1 65 65 GLN HA H 1 4.121 0.017 . . . . . . A 100 GLN HA . 36111 1
632 . 1 1 65 65 GLN HB2 H 1 2.399 0.017 . . . . . . A 100 GLN HB2 . 36111 1
633 . 1 1 65 65 GLN HB3 H 1 2.399 0.017 . . . . . . A 100 GLN HB3 . 36111 1
634 . 1 1 65 65 GLN HG2 H 1 2.472 0.000 . . . . . . A 100 GLN HG2 . 36111 1
635 . 1 1 65 65 GLN HG3 H 1 2.401 0.000 . . . . . . A 100 GLN HG3 . 36111 1
636 . 1 1 65 65 GLN CA C 13 57.277 0.090 . . . . . . A 100 GLN CA . 36111 1
637 . 1 1 65 65 GLN CB C 13 28.805 0.091 . . . . . . A 100 GLN CB . 36111 1
638 . 1 1 65 65 GLN CG C 13 34.065 0.038 . . . . . . A 100 GLN CG . 36111 1
639 . 1 1 66 66 GLU H H 1 7.886 0.006 . . . . . . A 101 GLU H . 36111 1
640 . 1 1 66 66 GLU HA H 1 4.460 0.030 . . . . . . A 101 GLU HA . 36111 1
641 . 1 1 66 66 GLU HB2 H 1 2.180 0.004 . . . . . . A 101 GLU HB2 . 36111 1
642 . 1 1 66 66 GLU HB3 H 1 2.180 0.004 . . . . . . A 101 GLU HB3 . 36111 1
643 . 1 1 66 66 GLU HG2 H 1 2.273 0.019 . . . . . . A 101 GLU HG2 . 36111 1
644 . 1 1 66 66 GLU HG3 H 1 2.207 0.013 . . . . . . A 101 GLU HG3 . 36111 1
645 . 1 1 66 66 GLU CA C 13 55.702 0.103 . . . . . . A 101 GLU CA . 36111 1
646 . 1 1 66 66 GLU CB C 13 30.120 0.104 . . . . . . A 101 GLU CB . 36111 1
647 . 1 1 66 66 GLU CG C 13 35.839 0.064 . . . . . . A 101 GLU CG . 36111 1
648 . 1 1 66 66 GLU N N 15 116.295 0.090 . . . . . . A 101 GLU N . 36111 1
649 . 1 1 67 67 ILE H H 1 7.333 0.009 . . . . . . A 102 ILE H . 36111 1
650 . 1 1 67 67 ILE HA H 1 4.252 0.013 . . . . . . A 102 ILE HA . 36111 1
651 . 1 1 67 67 ILE HB H 1 1.820 0.016 . . . . . . A 102 ILE HB . 36111 1
652 . 1 1 67 67 ILE HG12 H 1 1.571 0.008 . . . . . . A 102 ILE HG12 . 36111 1
653 . 1 1 67 67 ILE HG13 H 1 1.121 0.002 . . . . . . A 102 ILE HG13 . 36111 1
654 . 1 1 67 67 ILE HG21 H 1 1.009 0.018 . . . . . . A 102 ILE HG21 . 36111 1
655 . 1 1 67 67 ILE HG22 H 1 1.009 0.018 . . . . . . A 102 ILE HG22 . 36111 1
656 . 1 1 67 67 ILE HG23 H 1 1.009 0.018 . . . . . . A 102 ILE HG23 . 36111 1
657 . 1 1 67 67 ILE HD11 H 1 0.746 0.013 . . . . . . A 102 ILE HD11 . 36111 1
658 . 1 1 67 67 ILE HD12 H 1 0.746 0.013 . . . . . . A 102 ILE HD12 . 36111 1
659 . 1 1 67 67 ILE HD13 H 1 0.746 0.013 . . . . . . A 102 ILE HD13 . 36111 1
660 . 1 1 67 67 ILE CA C 13 61.122 0.034 . . . . . . A 102 ILE CA . 36111 1
661 . 1 1 67 67 ILE CB C 13 39.868 0.033 . . . . . . A 102 ILE CB . 36111 1
662 . 1 1 67 67 ILE CG1 C 13 26.988 0.036 . . . . . . A 102 ILE CG1 . 36111 1
663 . 1 1 67 67 ILE CG2 C 13 18.669 0.030 . . . . . . A 102 ILE CG2 . 36111 1
664 . 1 1 67 67 ILE CD1 C 13 14.244 0.019 . . . . . . A 102 ILE CD1 . 36111 1
665 . 1 1 67 67 ILE N N 15 117.984 0.038 . . . . . . A 102 ILE N . 36111 1
666 . 1 1 68 68 HIS HA H 1 4.655 0.014 . . . . . . A 103 HIS HA . 36111 1
667 . 1 1 68 68 HIS HB2 H 1 3.160 0.020 . . . . . . A 103 HIS HB2 . 36111 1
668 . 1 1 68 68 HIS HB3 H 1 3.160 0.020 . . . . . . A 103 HIS HB3 . 36111 1
669 . 1 1 68 68 HIS CA C 13 57.453 0.057 . . . . . . A 103 HIS CA . 36111 1
670 . 1 1 68 68 HIS CB C 13 31.378 0.233 . . . . . . A 103 HIS CB . 36111 1
671 . 1 1 69 69 ALA H H 1 7.799 0.009 . . . . . . A 104 ALA H . 36111 1
672 . 1 1 69 69 ALA HA H 1 4.639 0.023 . . . . . . A 104 ALA HA . 36111 1
673 . 1 1 69 69 ALA HB1 H 1 1.355 0.017 . . . . . . A 104 ALA HB1 . 36111 1
674 . 1 1 69 69 ALA HB2 H 1 1.355 0.017 . . . . . . A 104 ALA HB2 . 36111 1
675 . 1 1 69 69 ALA HB3 H 1 1.355 0.017 . . . . . . A 104 ALA HB3 . 36111 1
676 . 1 1 69 69 ALA CA C 13 51.812 0.088 . . . . . . A 104 ALA CA . 36111 1
677 . 1 1 69 69 ALA CB C 13 20.597 0.180 . . . . . . A 104 ALA CB . 36111 1
678 . 1 1 69 69 ALA N N 15 121.946 0.063 . . . . . . A 104 ALA N . 36111 1
679 . 1 1 70 70 PHE H H 1 8.452 0.015 . . . . . . A 105 PHE H . 36111 1
680 . 1 1 70 70 PHE HA H 1 4.477 0.028 . . . . . . A 105 PHE HA . 36111 1
681 . 1 1 70 70 PHE HB2 H 1 2.941 0.026 . . . . . . A 105 PHE HB2 . 36111 1
682 . 1 1 70 70 PHE HB3 H 1 2.941 0.026 . . . . . . A 105 PHE HB3 . 36111 1
683 . 1 1 70 70 PHE CA C 13 56.352 0.125 . . . . . . A 105 PHE CA . 36111 1
684 . 1 1 70 70 PHE CB C 13 42.111 0.314 . . . . . . A 105 PHE CB . 36111 1
685 . 1 1 70 70 PHE N N 15 121.892 0.047 . . . . . . A 105 PHE N . 36111 1
686 . 1 1 71 71 SER H H 1 8.003 0.016 . . . . . . A 106 SER H . 36111 1
687 . 1 1 71 71 SER HA H 1 4.583 0.017 . . . . . . A 106 SER HA . 36111 1
688 . 1 1 71 71 SER HB2 H 1 3.798 0.019 . . . . . . A 106 SER HB2 . 36111 1
689 . 1 1 71 71 SER HB3 H 1 3.750 0.001 . . . . . . A 106 SER HB3 . 36111 1
690 . 1 1 71 71 SER CA C 13 56.218 0.184 . . . . . . A 106 SER CA . 36111 1
691 . 1 1 71 71 SER CB C 13 64.832 0.051 . . . . . . A 106 SER CB . 36111 1
692 . 1 1 71 71 SER N N 15 120.215 0.116 . . . . . . A 106 SER N . 36111 1
693 . 1 1 72 72 CYS H H 1 8.541 0.005 . . . . . . A 107 CYS H . 36111 1
694 . 1 1 72 72 CYS HA H 1 5.559 0.020 . . . . . . A 107 CYS HA . 36111 1
695 . 1 1 72 72 CYS HB2 H 1 2.682 0.017 . . . . . . A 107 CYS HB2 . 36111 1
696 . 1 1 72 72 CYS HB3 H 1 2.367 0.022 . . . . . . A 107 CYS HB3 . 36111 1
697 . 1 1 72 72 CYS CA C 13 55.837 0.054 . . . . . . A 107 CYS CA . 36111 1
698 . 1 1 72 72 CYS CB C 13 30.321 0.153 . . . . . . A 107 CYS CB . 36111 1
699 . 1 1 72 72 CYS N N 15 119.707 0.061 . . . . . . A 107 CYS N . 36111 1
700 . 1 1 73 73 LYS H H 1 8.631 0.004 . . . . . . A 108 LYS H . 36111 1
701 . 1 1 73 73 LYS HA H 1 4.369 0.015 . . . . . . A 108 LYS HA . 36111 1
702 . 1 1 73 73 LYS HB2 H 1 1.622 0.028 . . . . . . A 108 LYS HB2 . 36111 1
703 . 1 1 73 73 LYS HB3 H 1 1.622 0.028 . . . . . . A 108 LYS HB3 . 36111 1
704 . 1 1 73 73 LYS HG2 H 1 1.418 0.018 . . . . . . A 108 LYS HG2 . 36111 1
705 . 1 1 73 73 LYS HG3 H 1 1.418 0.018 . . . . . . A 108 LYS HG3 . 36111 1
706 . 1 1 73 73 LYS HD2 H 1 1.816 0.005 . . . . . . A 108 LYS HD2 . 36111 1
707 . 1 1 73 73 LYS HD3 H 1 1.816 0.005 . . . . . . A 108 LYS HD3 . 36111 1
708 . 1 1 73 73 LYS HE2 H 1 2.958 0.022 . . . . . . A 108 LYS HE2 . 36111 1
709 . 1 1 73 73 LYS HE3 H 1 2.958 0.022 . . . . . . A 108 LYS HE3 . 36111 1
710 . 1 1 73 73 LYS CA C 13 55.475 0.050 . . . . . . A 108 LYS CA . 36111 1
711 . 1 1 73 73 LYS CB C 13 35.491 0.141 . . . . . . A 108 LYS CB . 36111 1
712 . 1 1 73 73 LYS CG C 13 25.113 0.038 . . . . . . A 108 LYS CG . 36111 1
713 . 1 1 73 73 LYS CD C 13 29.115 0.041 . . . . . . A 108 LYS CD . 36111 1
714 . 1 1 73 73 LYS CE C 13 41.843 0.000 . . . . . . A 108 LYS CE . 36111 1
715 . 1 1 73 73 LYS N N 15 127.273 0.030 . . . . . . A 108 LYS N . 36111 1
716 . 1 1 74 74 CYS H H 1 7.775 0.015 . . . . . . A 109 CYS H . 36111 1
717 . 1 1 74 74 CYS HA H 1 5.030 0.020 . . . . . . A 109 CYS HA . 36111 1
718 . 1 1 74 74 CYS HB2 H 1 2.038 0.014 . . . . . . A 109 CYS HB2 . 36111 1
719 . 1 1 74 74 CYS HB3 H 1 2.038 0.014 . . . . . . A 109 CYS HB3 . 36111 1
720 . 1 1 74 74 CYS CA C 13 56.267 0.200 . . . . . . A 109 CYS CA . 36111 1
721 . 1 1 74 74 CYS CB C 13 30.712 0.151 . . . . . . A 109 CYS CB . 36111 1
722 . 1 1 74 74 CYS N N 15 119.408 0.073 . . . . . . A 109 CYS N . 36111 1
723 . 1 1 75 75 TYR H H 1 9.059 0.009 . . . . . . A 110 TYR H . 36111 1
724 . 1 1 75 75 TYR HA H 1 5.510 0.016 . . . . . . A 110 TYR HA . 36111 1
725 . 1 1 75 75 TYR HB2 H 1 3.860 0.013 . . . . . . A 110 TYR HB2 . 36111 1
726 . 1 1 75 75 TYR HB3 H 1 2.649 0.023 . . . . . . A 110 TYR HB3 . 36111 1
727 . 1 1 75 75 TYR CA C 13 55.999 0.061 . . . . . . A 110 TYR CA . 36111 1
728 . 1 1 75 75 TYR CB C 13 44.241 0.094 . . . . . . A 110 TYR CB . 36111 1
729 . 1 1 75 75 TYR N N 15 123.124 0.022 . . . . . . A 110 TYR N . 36111 1
730 . 1 1 76 76 THR H H 1 9.116 0.010 . . . . . . A 111 THR H . 36111 1
731 . 1 1 76 76 THR HA H 1 4.957 0.004 . . . . . . A 111 THR HA . 36111 1
732 . 1 1 76 76 THR HB H 1 4.838 0.032 . . . . . . A 111 THR HB . 36111 1
733 . 1 1 76 76 THR HG21 H 1 1.366 0.019 . . . . . . A 111 THR HG21 . 36111 1
734 . 1 1 76 76 THR HG22 H 1 1.366 0.019 . . . . . . A 111 THR HG22 . 36111 1
735 . 1 1 76 76 THR HG23 H 1 1.366 0.019 . . . . . . A 111 THR HG23 . 36111 1
736 . 1 1 76 76 THR CA C 13 60.764 0.120 . . . . . . A 111 THR CA . 36111 1
737 . 1 1 76 76 THR CB C 13 69.516 0.005 . . . . . . A 111 THR CB . 36111 1
738 . 1 1 76 76 THR CG2 C 13 21.907 0.032 . . . . . . A 111 THR CG2 . 36111 1
739 . 1 1 76 76 THR N N 15 112.492 0.066 . . . . . . A 111 THR N . 36111 1
740 . 1 1 77 77 GLU H H 1 8.876 0.011 . . . . . . A 112 GLU H . 36111 1
741 . 1 1 77 77 GLU HA H 1 3.669 0.018 . . . . . . A 112 GLU HA . 36111 1
742 . 1 1 77 77 GLU HB2 H 1 1.785 0.028 . . . . . . A 112 GLU HB2 . 36111 1
743 . 1 1 77 77 GLU HB3 H 1 1.785 0.028 . . . . . . A 112 GLU HB3 . 36111 1
744 . 1 1 77 77 GLU HG2 H 1 2.076 0.027 . . . . . . A 112 GLU HG2 . 36111 1
745 . 1 1 77 77 GLU HG3 H 1 2.076 0.027 . . . . . . A 112 GLU HG3 . 36111 1
746 . 1 1 77 77 GLU CA C 13 61.804 0.068 . . . . . . A 112 GLU CA . 36111 1
747 . 1 1 77 77 GLU CB C 13 28.180 0.176 . . . . . . A 112 GLU CB . 36111 1
748 . 1 1 77 77 GLU CG C 13 37.300 0.219 . . . . . . A 112 GLU CG . 36111 1
749 . 1 1 77 77 GLU N N 15 119.502 0.044 . . . . . . A 112 GLU N . 36111 1
750 . 1 1 78 78 GLU H H 1 9.329 0.002 . . . . . . A 113 GLU H . 36111 1
751 . 1 1 78 78 GLU HA H 1 4.015 0.022 . . . . . . A 113 GLU HA . 36111 1
752 . 1 1 78 78 GLU HB2 H 1 2.116 0.019 . . . . . . A 113 GLU HB2 . 36111 1
753 . 1 1 78 78 GLU HB3 H 1 1.918 0.024 . . . . . . A 113 GLU HB3 . 36111 1
754 . 1 1 78 78 GLU HG2 H 1 2.239 0.009 . . . . . . A 113 GLU HG2 . 36111 1
755 . 1 1 78 78 GLU HG3 H 1 2.239 0.009 . . . . . . A 113 GLU HG3 . 36111 1
756 . 1 1 78 78 GLU CA C 13 59.255 0.082 . . . . . . A 113 GLU CA . 36111 1
757 . 1 1 78 78 GLU CB C 13 29.064 0.135 . . . . . . A 113 GLU CB . 36111 1
758 . 1 1 78 78 GLU CG C 13 36.043 0.000 . . . . . . A 113 GLU CG . 36111 1
759 . 1 1 78 78 GLU N N 15 121.399 0.033 . . . . . . A 113 GLU N . 36111 1
760 . 1 1 79 79 GLU H H 1 7.763 0.010 . . . . . . A 114 GLU H . 36111 1
761 . 1 1 79 79 GLU HA H 1 3.907 0.020 . . . . . . A 114 GLU HA . 36111 1
762 . 1 1 79 79 GLU HB2 H 1 2.608 0.014 . . . . . . A 114 GLU HB2 . 36111 1
763 . 1 1 79 79 GLU HB3 H 1 2.608 0.014 . . . . . . A 114 GLU HB3 . 36111 1
764 . 1 1 79 79 GLU HG2 H 1 2.479 0.030 . . . . . . A 114 GLU HG2 . 36111 1
765 . 1 1 79 79 GLU HG3 H 1 2.479 0.030 . . . . . . A 114 GLU HG3 . 36111 1
766 . 1 1 79 79 GLU CA C 13 58.710 0.098 . . . . . . A 114 GLU CA . 36111 1
767 . 1 1 79 79 GLU CB C 13 30.354 0.099 . . . . . . A 114 GLU CB . 36111 1
768 . 1 1 79 79 GLU N N 15 119.490 0.044 . . . . . . A 114 GLU N . 36111 1
769 . 1 1 80 80 TRP H H 1 8.619 0.008 . . . . . . A 115 TRP H . 36111 1
770 . 1 1 80 80 TRP HA H 1 4.198 0.012 . . . . . . A 115 TRP HA . 36111 1
771 . 1 1 80 80 TRP HB2 H 1 3.280 0.012 . . . . . . A 115 TRP HB2 . 36111 1
772 . 1 1 80 80 TRP HB3 H 1 3.150 0.018 . . . . . . A 115 TRP HB3 . 36111 1
773 . 1 1 80 80 TRP CA C 13 58.554 0.111 . . . . . . A 115 TRP CA . 36111 1
774 . 1 1 80 80 TRP CB C 13 31.403 0.145 . . . . . . A 115 TRP CB . 36111 1
775 . 1 1 80 80 TRP N N 15 119.932 0.027 . . . . . . A 115 TRP N . 36111 1
776 . 1 1 81 81 SER H H 1 8.108 0.007 . . . . . . A 116 SER H . 36111 1
777 . 1 1 81 81 SER HA H 1 3.960 0.000 . . . . . . A 116 SER HA . 36111 1
778 . 1 1 81 81 SER CA C 13 61.088 0.081 . . . . . . A 116 SER CA . 36111 1
779 . 1 1 81 81 SER CB C 13 62.498 0.155 . . . . . . A 116 SER CB . 36111 1
780 . 1 1 81 81 SER N N 15 113.193 0.069 . . . . . . A 116 SER N . 36111 1
781 . 1 1 82 82 LYS H H 1 7.013 0.043 . . . . . . A 117 LYS H . 36111 1
782 . 1 1 82 82 LYS HA H 1 4.100 0.015 . . . . . . A 117 LYS HA . 36111 1
783 . 1 1 82 82 LYS HB2 H 1 1.876 0.023 . . . . . . A 117 LYS HB2 . 36111 1
784 . 1 1 82 82 LYS HB3 H 1 1.756 0.016 . . . . . . A 117 LYS HB3 . 36111 1
785 . 1 1 82 82 LYS HG2 H 1 1.404 0.012 . . . . . . A 117 LYS HG2 . 36111 1
786 . 1 1 82 82 LYS HG3 H 1 1.404 0.012 . . . . . . A 117 LYS HG3 . 36111 1
787 . 1 1 82 82 LYS HD2 H 1 1.594 0.027 . . . . . . A 117 LYS HD2 . 36111 1
788 . 1 1 82 82 LYS HD3 H 1 1.594 0.027 . . . . . . A 117 LYS HD3 . 36111 1
789 . 1 1 82 82 LYS HE2 H 1 2.900 0.014 . . . . . . A 117 LYS HE2 . 36111 1
790 . 1 1 82 82 LYS HE3 H 1 2.900 0.014 . . . . . . A 117 LYS HE3 . 36111 1
791 . 1 1 82 82 LYS CA C 13 57.031 0.090 . . . . . . A 117 LYS CA . 36111 1
792 . 1 1 82 82 LYS CB C 13 32.488 0.160 . . . . . . A 117 LYS CB . 36111 1
793 . 1 1 82 82 LYS CD C 13 28.732 0.046 . . . . . . A 117 LYS CD . 36111 1
794 . 1 1 82 82 LYS CE C 13 42.011 0.064 . . . . . . A 117 LYS CE . 36111 1
795 . 1 1 82 82 LYS N N 15 118.303 0.030 . . . . . . A 117 LYS N . 36111 1
796 . 1 1 83 83 ILE H H 1 7.206 0.002 . . . . . . A 118 ILE H . 36111 1
797 . 1 1 83 83 ILE HA H 1 3.726 0.013 . . . . . . A 118 ILE HA . 36111 1
798 . 1 1 83 83 ILE HB H 1 1.439 0.008 . . . . . . A 118 ILE HB . 36111 1
799 . 1 1 83 83 ILE HG12 H 1 1.093 0.023 . . . . . . A 118 ILE HG12 . 36111 1
800 . 1 1 83 83 ILE HG13 H 1 0.985 0.010 . . . . . . A 118 ILE HG13 . 36111 1
801 . 1 1 83 83 ILE HG21 H 1 0.484 0.004 . . . . . . A 118 ILE HG21 . 36111 1
802 . 1 1 83 83 ILE HG22 H 1 0.484 0.004 . . . . . . A 118 ILE HG22 . 36111 1
803 . 1 1 83 83 ILE HG23 H 1 0.484 0.004 . . . . . . A 118 ILE HG23 . 36111 1
804 . 1 1 83 83 ILE HD11 H 1 0.429 0.024 . . . . . . A 118 ILE HD11 . 36111 1
805 . 1 1 83 83 ILE HD12 H 1 0.429 0.024 . . . . . . A 118 ILE HD12 . 36111 1
806 . 1 1 83 83 ILE HD13 H 1 0.429 0.024 . . . . . . A 118 ILE HD13 . 36111 1
807 . 1 1 83 83 ILE CA C 13 62.168 0.077 . . . . . . A 118 ILE CA . 36111 1
808 . 1 1 83 83 ILE CB C 13 37.726 0.264 . . . . . . A 118 ILE CB . 36111 1
809 . 1 1 83 83 ILE CG1 C 13 27.668 0.028 . . . . . . A 118 ILE CG1 . 36111 1
810 . 1 1 83 83 ILE CG2 C 13 17.188 0.020 . . . . . . A 118 ILE CG2 . 36111 1
811 . 1 1 83 83 ILE CD1 C 13 12.305 0.018 . . . . . . A 118 ILE CD1 . 36111 1
812 . 1 1 83 83 ILE N N 15 120.038 0.045 . . . . . . A 118 ILE N . 36111 1
813 . 1 1 84 84 VAL H H 1 7.614 0.003 . . . . . . A 119 VAL H . 36111 1
814 . 1 1 84 84 VAL HA H 1 3.364 0.017 . . . . . . A 119 VAL HA . 36111 1
815 . 1 1 84 84 VAL HB H 1 1.299 0.011 . . . . . . A 119 VAL HB . 36111 1
816 . 1 1 84 84 VAL HG11 H 1 0.405 0.009 . . . . . . A 119 VAL HG11 . 36111 1
817 . 1 1 84 84 VAL HG12 H 1 0.405 0.009 . . . . . . A 119 VAL HG12 . 36111 1
818 . 1 1 84 84 VAL HG13 H 1 0.405 0.009 . . . . . . A 119 VAL HG13 . 36111 1
819 . 1 1 84 84 VAL HG21 H 1 0.405 0.009 . . . . . . A 119 VAL HG21 . 36111 1
820 . 1 1 84 84 VAL HG22 H 1 0.405 0.009 . . . . . . A 119 VAL HG22 . 36111 1
821 . 1 1 84 84 VAL HG23 H 1 0.405 0.009 . . . . . . A 119 VAL HG23 . 36111 1
822 . 1 1 84 84 VAL CA C 13 63.557 0.109 . . . . . . A 119 VAL CA . 36111 1
823 . 1 1 84 84 VAL CB C 13 31.369 0.183 . . . . . . A 119 VAL CB . 36111 1
824 . 1 1 84 84 VAL CG1 C 13 20.571 0.030 . . . . . . A 119 VAL CG1 . 36111 1
825 . 1 1 84 84 VAL CG2 C 13 20.571 0.030 . . . . . . A 119 VAL CG2 . 36111 1
826 . 1 1 84 84 VAL N N 15 120.497 0.028 . . . . . . A 119 VAL N . 36111 1
827 . 1 1 85 85 VAL H H 1 7.276 0.007 . . . . . . A 120 VAL H . 36111 1
828 . 1 1 85 85 VAL HA H 1 3.872 0.017 . . . . . . A 120 VAL HA . 36111 1
829 . 1 1 85 85 VAL HB H 1 2.007 0.017 . . . . . . A 120 VAL HB . 36111 1
830 . 1 1 85 85 VAL HG11 H 1 0.809 0.020 . . . . . . A 120 VAL HG11 . 36111 1
831 . 1 1 85 85 VAL HG12 H 1 0.809 0.020 . . . . . . A 120 VAL HG12 . 36111 1
832 . 1 1 85 85 VAL HG13 H 1 0.809 0.020 . . . . . . A 120 VAL HG13 . 36111 1
833 . 1 1 85 85 VAL HG21 H 1 0.809 0.020 . . . . . . A 120 VAL HG21 . 36111 1
834 . 1 1 85 85 VAL HG22 H 1 0.809 0.020 . . . . . . A 120 VAL HG22 . 36111 1
835 . 1 1 85 85 VAL HG23 H 1 0.809 0.020 . . . . . . A 120 VAL HG23 . 36111 1
836 . 1 1 85 85 VAL CA C 13 62.772 0.054 . . . . . . A 120 VAL CA . 36111 1
837 . 1 1 85 85 VAL CB C 13 31.721 0.265 . . . . . . A 120 VAL CB . 36111 1
838 . 1 1 85 85 VAL CG1 C 13 20.877 0.031 . . . . . . A 120 VAL CG1 . 36111 1
839 . 1 1 85 85 VAL CG2 C 13 20.877 0.031 . . . . . . A 120 VAL CG2 . 36111 1
840 . 1 1 85 85 VAL N N 15 119.315 0.036 . . . . . . A 120 VAL N . 36111 1
841 . 1 1 86 86 LEU H H 1 7.784 0.003 . . . . . . A 121 LEU H . 36111 1
842 . 1 1 86 86 LEU HA H 1 4.185 0.012 . . . . . . A 121 LEU HA . 36111 1
843 . 1 1 86 86 LEU HB2 H 1 1.574 0.020 . . . . . . A 121 LEU HB2 . 36111 1
844 . 1 1 86 86 LEU HB3 H 1 1.414 0.014 . . . . . . A 121 LEU HB3 . 36111 1
845 . 1 1 86 86 LEU HD11 H 1 0.835 0.004 . . . . . . A 121 LEU HD11 . 36111 1
846 . 1 1 86 86 LEU HD12 H 1 0.835 0.004 . . . . . . A 121 LEU HD12 . 36111 1
847 . 1 1 86 86 LEU HD13 H 1 0.835 0.004 . . . . . . A 121 LEU HD13 . 36111 1
848 . 1 1 86 86 LEU HD21 H 1 0.776 0.004 . . . . . . A 121 LEU HD21 . 36111 1
849 . 1 1 86 86 LEU HD22 H 1 0.776 0.004 . . . . . . A 121 LEU HD22 . 36111 1
850 . 1 1 86 86 LEU HD23 H 1 0.776 0.004 . . . . . . A 121 LEU HD23 . 36111 1
851 . 1 1 86 86 LEU CA C 13 55.244 0.140 . . . . . . A 121 LEU CA . 36111 1
852 . 1 1 86 86 LEU CB C 13 42.100 0.134 . . . . . . A 121 LEU CB . 36111 1
853 . 1 1 86 86 LEU CD1 C 13 25.044 0.001 . . . . . . A 121 LEU CD1 . 36111 1
854 . 1 1 86 86 LEU CD2 C 13 22.736 0.000 . . . . . . A 121 LEU CD2 . 36111 1
855 . 1 1 86 86 LEU N N 15 123.604 0.017 . . . . . . A 121 LEU N . 36111 1
856 . 1 1 87 87 GLU H H 1 8.145 0.006 . . . . . . A 122 GLU H . 36111 1
857 . 1 1 87 87 GLU HA H 1 4.103 0.013 . . . . . . A 122 GLU HA . 36111 1
858 . 1 1 87 87 GLU HB2 H 1 1.830 0.021 . . . . . . A 122 GLU HB2 . 36111 1
859 . 1 1 87 87 GLU HB3 H 1 1.830 0.021 . . . . . . A 122 GLU HB3 . 36111 1
860 . 1 1 87 87 GLU HG2 H 1 2.157 0.005 . . . . . . A 122 GLU HG2 . 36111 1
861 . 1 1 87 87 GLU HG3 H 1 2.057 0.004 . . . . . . A 122 GLU HG3 . 36111 1
862 . 1 1 87 87 GLU CA C 13 56.706 0.108 . . . . . . A 122 GLU CA . 36111 1
863 . 1 1 87 87 GLU CB C 13 29.791 0.123 . . . . . . A 122 GLU CB . 36111 1
864 . 1 1 87 87 GLU CG C 13 36.256 0.000 . . . . . . A 122 GLU CG . 36111 1
865 . 1 1 87 87 GLU N N 15 119.850 0.033 . . . . . . A 122 GLU N . 36111 1
866 . 1 1 88 88 HIS H H 1 8.013 0.010 . . . . . . A 123 HIS H . 36111 1
867 . 1 1 88 88 HIS CA C 13 56.304 0.000 . . . . . . A 123 HIS CA . 36111 1
868 . 1 1 88 88 HIS CB C 13 30.305 0.000 . . . . . . A 123 HIS CB . 36111 1
869 . 1 1 88 88 HIS N N 15 119.176 0.025 . . . . . . A 123 HIS N . 36111 1
stop_
save_