###################################
# 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 18474
_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' . . . 18474 1
2 '3D CBCA(CO)NH' . . . 18474 1
3 '3D HNCACB' . . . 18474 1
4 '3D HBHA(CO)NH' . . . 18474 1
5 '3D H(CCO)NH' . . . 18474 1
6 '3D C(CO)NH' . . . 18474 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET HB2 H 1 2.083 0.001 . 2 . . . . 1 Met HB# . 18474 1
2 . 1 1 1 1 MET HB3 H 1 2.083 0.001 . 2 . . . . 1 Met HB# . 18474 1
3 . 1 1 1 1 MET HG2 H 1 2.528 0.000 . 2 . . . . 1 Met HG# . 18474 1
4 . 1 1 1 1 MET HG3 H 1 2.528 0.000 . 2 . . . . 1 Met HG# . 18474 1
5 . 1 1 1 1 MET CA C 13 55.338 0.064 . 1 . . . . 1 Met CA . 18474 1
6 . 1 1 1 1 MET CB C 13 33.338 0.029 . 1 . . . . 1 Met CB . 18474 1
7 . 1 1 1 1 MET CG C 13 30.712 0.000 . 1 . . . . 1 Met CG . 18474 1
8 . 1 1 2 2 LEU H H 1 8.694 0.007 . 1 . . . . 2 Leu NH . 18474 1
9 . 1 1 2 2 LEU HA H 1 4.353 0.000 . 1 . . . . 2 Leu HA . 18474 1
10 . 1 1 2 2 LEU HB2 H 1 1.554 0.005 . 2 . . . . 2 Leu HB# . 18474 1
11 . 1 1 2 2 LEU HB3 H 1 1.554 0.005 . 2 . . . . 2 Leu HB# . 18474 1
12 . 1 1 2 2 LEU HD11 H 1 0.828 0.009 . 2 . . . . 2 Leu HD# . 18474 1
13 . 1 1 2 2 LEU HD12 H 1 0.828 0.009 . 2 . . . . 2 Leu HD# . 18474 1
14 . 1 1 2 2 LEU HD13 H 1 0.828 0.009 . 2 . . . . 2 Leu HD# . 18474 1
15 . 1 1 2 2 LEU HD21 H 1 0.828 0.009 . 2 . . . . 2 Leu HD# . 18474 1
16 . 1 1 2 2 LEU HD22 H 1 0.828 0.009 . 2 . . . . 2 Leu HD# . 18474 1
17 . 1 1 2 2 LEU HD23 H 1 0.828 0.009 . 2 . . . . 2 Leu HD# . 18474 1
18 . 1 1 2 2 LEU CA C 13 55.678 0.042 . 1 . . . . 2 Leu CA . 18474 1
19 . 1 1 2 2 LEU CB C 13 42.303 0.025 . 1 . . . . 2 Leu CB . 18474 1
20 . 1 1 2 2 LEU CG C 13 27.343 0.000 . 1 . . . . 2 Leu CG . 18474 1
21 . 1 1 2 2 LEU CD1 C 13 24.239 0.000 . 2 . . . . 2 Leu CD1 . 18474 1
22 . 1 1 2 2 LEU N N 15 125.275 0.018 . 1 . . . . 2 Leu N . 18474 1
23 . 1 1 3 3 GLN H H 1 8.566 0.005 . 1 . . . . 3 Gln NH . 18474 1
24 . 1 1 3 3 GLN HA H 1 4.262 0.007 . 1 . . . . 3 Gln HA . 18474 1
25 . 1 1 3 3 GLN HB2 H 1 2.030 0.019 . 2 . . . . 3 Gln HB# . 18474 1
26 . 1 1 3 3 GLN HB3 H 1 2.030 0.019 . 2 . . . . 3 Gln HB# . 18474 1
27 . 1 1 3 3 GLN HG2 H 1 2.303 0.000 . 2 . . . . 3 Gln HG# . 18474 1
28 . 1 1 3 3 GLN HG3 H 1 2.303 0.000 . 2 . . . . 3 Gln HG# . 18474 1
29 . 1 1 3 3 GLN CA C 13 55.779 0.073 . 1 . . . . 3 Gln CA . 18474 1
30 . 1 1 3 3 GLN CB C 13 29.502 0.000 . 1 . . . . 3 Gln CB . 18474 1
31 . 1 1 3 3 GLN CG C 13 34.078 0.000 . 1 . . . . 3 Gln CG . 18474 1
32 . 1 1 3 3 GLN N N 15 122.014 0.060 . 1 . . . . 3 Gln N . 18474 1
33 . 1 1 4 4 GLU H H 1 8.454 0.006 . 1 . . . . 4 Glu NH . 18474 1
34 . 1 1 4 4 GLU HA H 1 4.095 0.001 . 1 . . . . 4 Glu HA . 18474 1
35 . 1 1 4 4 GLU HB2 H 1 1.795 0.004 . 2 . . . . 4 Glu HB# . 18474 1
36 . 1 1 4 4 GLU HB3 H 1 1.795 0.004 . 2 . . . . 4 Glu HB# . 18474 1
37 . 1 1 4 4 GLU HG2 H 1 2.089 0.000 . 2 . . . . 4 Glu HG# . 18474 1
38 . 1 1 4 4 GLU HG3 H 1 2.089 0.000 . 2 . . . . 4 Glu HG# . 18474 1
39 . 1 1 4 4 GLU CA C 13 56.377 0.107 . 1 . . . . 4 Glu CA . 18474 1
40 . 1 1 4 4 GLU CB C 13 30.212 0.095 . 1 . . . . 4 Glu CB . 18474 1
41 . 1 1 4 4 GLU CG C 13 35.973 0.000 . 1 . . . . 4 Glu CG . 18474 1
42 . 1 1 4 4 GLU N N 15 122.807 0.049 . 1 . . . . 4 Glu N . 18474 1
43 . 1 1 5 5 ARG H H 1 8.319 0.006 . 1 . . . . 5 Arg NH . 18474 1
44 . 1 1 5 5 ARG HA H 1 4.224 0.000 . 1 . . . . 5 Arg HA . 18474 1
45 . 1 1 5 5 ARG HB2 H 1 1.466 0.006 . 2 . . . . 5 Arg HB2 . 18474 1
46 . 1 1 5 5 ARG HB3 H 1 1.549 0.015 . 2 . . . . 5 Arg HB3 . 18474 1
47 . 1 1 5 5 ARG HD2 H 1 2.846 0.015 . 2 . . . . 5 Arg HD2 . 18474 1
48 . 1 1 5 5 ARG HD3 H 1 3.088 0.008 . 2 . . . . 5 Arg HD3 . 18474 1
49 . 1 1 5 5 ARG CA C 13 56.072 0.112 . 1 . . . . 5 Arg CA . 18474 1
50 . 1 1 5 5 ARG CB C 13 31.171 0.068 . 1 . . . . 5 Arg CB . 18474 1
51 . 1 1 5 5 ARG CG C 13 26.375 0.000 . 1 . . . . 5 Arg CG . 18474 1
52 . 1 1 5 5 ARG CD C 13 43.864 0.000 . 1 . . . . 5 Arg CD . 18474 1
53 . 1 1 5 5 ARG N N 15 119.884 0.061 . 1 . . . . 5 Arg N . 18474 1
54 . 1 1 6 6 VAL H H 1 8.270 0.006 . 1 . . . . 6 Val NH . 18474 1
55 . 1 1 6 6 VAL HA H 1 4.037 0.000 . 1 . . . . 6 Val HA . 18474 1
56 . 1 1 6 6 VAL HB H 1 1.795 0.014 . 1 . . . . 6 Val HB . 18474 1
57 . 1 1 6 6 VAL HG11 H 1 0.585 0.010 . 2 . . . . 6 Val HG# . 18474 1
58 . 1 1 6 6 VAL HG12 H 1 0.585 0.010 . 2 . . . . 6 Val HG# . 18474 1
59 . 1 1 6 6 VAL HG13 H 1 0.585 0.010 . 2 . . . . 6 Val HG# . 18474 1
60 . 1 1 6 6 VAL HG21 H 1 0.585 0.010 . 2 . . . . 6 Val HG# . 18474 1
61 . 1 1 6 6 VAL HG22 H 1 0.585 0.010 . 2 . . . . 6 Val HG# . 18474 1
62 . 1 1 6 6 VAL HG23 H 1 0.585 0.010 . 2 . . . . 6 Val HG# . 18474 1
63 . 1 1 6 6 VAL CB C 13 33.508 0.000 . 1 . . . . 6 Val CB . 18474 1
64 . 1 1 6 6 VAL N N 15 124.049 0.037 . 1 . . . . 6 Val N . 18474 1
65 . 1 1 7 7 PHE H H 1 8.624 0.006 . 1 . . . . 7 Phe NH . 18474 1
66 . 1 1 7 7 PHE HA H 1 4.598 0.015 . 1 . . . . 7 Phe HA . 18474 1
67 . 1 1 7 7 PHE HB2 H 1 2.668 0.005 . 2 . . . . 7 Phe HB2 . 18474 1
68 . 1 1 7 7 PHE HB3 H 1 2.780 0.018 . 2 . . . . 7 Phe HB3 . 18474 1
69 . 1 1 7 7 PHE CA C 13 58.260 0.127 . 1 . . . . 7 Phe CA . 18474 1
70 . 1 1 7 7 PHE CB C 13 41.227 0.059 . 1 . . . . 7 Phe CB . 18474 1
71 . 1 1 7 7 PHE N N 15 124.336 0.072 . 1 . . . . 7 Phe N . 18474 1
72 . 1 1 8 8 HIS H H 1 9.077 0.012 . 1 . . . . 8 His NH . 18474 1
73 . 1 1 8 8 HIS HA H 1 4.872 0.007 . 1 . . . . 8 His HA . 18474 1
74 . 1 1 8 8 HIS HB2 H 1 2.859 0.015 . 2 . . . . 8 His HB2 . 18474 1
75 . 1 1 8 8 HIS HB3 H 1 3.180 0.010 . 2 . . . . 8 His HB3 . 18474 1
76 . 1 1 8 8 HIS CA C 13 53.570 0.083 . 1 . . . . 8 His CA . 18474 1
77 . 1 1 8 8 HIS CB C 13 31.298 0.036 . 1 . . . . 8 His CB . 18474 1
78 . 1 1 8 8 HIS N N 15 118.511 0.062 . 1 . . . . 8 His N . 18474 1
79 . 1 1 9 9 ILE H H 1 8.762 0.005 . 1 . . . . 9 Ile NH . 18474 1
80 . 1 1 9 9 ILE HA H 1 3.244 0.007 . 1 . . . . 9 Ile HA . 18474 1
81 . 1 1 9 9 ILE HB H 1 1.613 0.003 . 1 . . . . 9 Ile HB . 18474 1
82 . 1 1 9 9 ILE HG21 H 1 0.858 0.005 . 1 . . . . 9 Ile HG2# . 18474 1
83 . 1 1 9 9 ILE HG22 H 1 0.858 0.005 . 1 . . . . 9 Ile HG2# . 18474 1
84 . 1 1 9 9 ILE HG23 H 1 0.858 0.005 . 1 . . . . 9 Ile HG2# . 18474 1
85 . 1 1 9 9 ILE CA C 13 64.535 0.025 . 1 . . . . 9 Ile CA . 18474 1
86 . 1 1 9 9 ILE CB C 13 37.402 0.065 . 1 . . . . 9 Ile CB . 18474 1
87 . 1 1 9 9 ILE CG2 C 13 17.171 0.000 . 1 . . . . 9 Ile CG2 . 18474 1
88 . 1 1 9 9 ILE CD1 C 13 13.404 0.000 . 1 . . . . 9 Ile CD . 18474 1
89 . 1 1 9 9 ILE N N 15 121.765 0.035 . 1 . . . . 9 Ile N . 18474 1
90 . 1 1 10 10 ASN H H 1 9.180 0.005 . 1 . . . . 10 Asn NH . 18474 1
91 . 1 1 10 10 ASN HA H 1 3.567 0.002 . 1 . . . . 10 Asn HA . 18474 1
92 . 1 1 10 10 ASN CA C 13 56.253 0.000 . 1 . . . . 10 Asn CA . 18474 1
93 . 1 1 10 10 ASN CB C 13 35.481 0.037 . 1 . . . . 10 Asn CB . 18474 1
94 . 1 1 10 10 ASN N N 15 117.829 0.046 . 1 . . . . 10 Asn N . 18474 1
95 . 1 1 11 11 ASP H H 1 8.493 0.007 . 1 . . . . 11 Asp NH . 18474 1
96 . 1 1 11 11 ASP HA H 1 4.873 0.009 . 1 . . . . 11 Asp HA . 18474 1
97 . 1 1 11 11 ASP HB2 H 1 2.720 0.006 . 2 . . . . 11 Asp HB2 . 18474 1
98 . 1 1 11 11 ASP HB3 H 1 3.213 0.010 . 2 . . . . 11 Asp HB3 . 18474 1
99 . 1 1 11 11 ASP CA C 13 55.894 0.124 . 1 . . . . 11 Asp CA . 18474 1
100 . 1 1 11 11 ASP CB C 13 41.209 0.023 . 1 . . . . 11 Asp CB . 18474 1
101 . 1 1 11 11 ASP N N 15 121.477 0.061 . 1 . . . . 11 Asp N . 18474 1
102 . 1 1 12 12 ARG H H 1 8.926 0.007 . 1 . . . . 12 Arg NH . 18474 1
103 . 1 1 12 12 ARG HA H 1 5.198 0.015 . 1 . . . . 12 Arg HA . 18474 1
104 . 1 1 12 12 ARG HB2 H 1 1.325 0.011 . 2 . . . . 12 Arg HB2 . 18474 1
105 . 1 1 12 12 ARG HB3 H 1 1.975 0.009 . 2 . . . . 12 Arg HB3 . 18474 1
106 . 1 1 12 12 ARG CA C 13 55.948 0.104 . 1 . . . . 12 Arg CA . 18474 1
107 . 1 1 12 12 ARG CB C 13 31.598 0.066 . 1 . . . . 12 Arg CB . 18474 1
108 . 1 1 12 12 ARG CG C 13 27.300 0.000 . 1 . . . . 12 Arg CG . 18474 1
109 . 1 1 12 12 ARG N N 15 121.851 0.040 . 1 . . . . 12 Arg N . 18474 1
110 . 1 1 13 13 VAL H H 1 9.367 0.008 . 1 . . . . 13 Val NH . 18474 1
111 . 1 1 13 13 VAL HA H 1 5.282 0.007 . 1 . . . . 13 Val HA . 18474 1
112 . 1 1 13 13 VAL HB H 1 2.516 0.013 . 1 . . . . 13 Val HB . 18474 1
113 . 1 1 13 13 VAL HG11 H 1 0.488 0.007 . 2 . . . . 13 Val HG1 . 18474 1
114 . 1 1 13 13 VAL HG12 H 1 0.488 0.007 . 2 . . . . 13 Val HG1 . 18474 1
115 . 1 1 13 13 VAL HG13 H 1 0.488 0.007 . 2 . . . . 13 Val HG1 . 18474 1
116 . 1 1 13 13 VAL HG21 H 1 0.651 0.005 . 2 . . . . 13 Val HG2 . 18474 1
117 . 1 1 13 13 VAL HG22 H 1 0.651 0.005 . 2 . . . . 13 Val HG2 . 18474 1
118 . 1 1 13 13 VAL HG23 H 1 0.651 0.005 . 2 . . . . 13 Val HG2 . 18474 1
119 . 1 1 13 13 VAL CA C 13 59.543 0.086 . 1 . . . . 13 Val CA . 18474 1
120 . 1 1 13 13 VAL CB C 13 35.431 0.032 . 1 . . . . 13 Val CB . 18474 1
121 . 1 1 13 13 VAL CG1 C 13 22.399 0.000 . 2 . . . . 13 Val CG# . 18474 1
122 . 1 1 13 13 VAL CG2 C 13 22.399 0.000 . 2 . . . . 13 Val CG# . 18474 1
123 . 1 1 13 13 VAL N N 15 117.353 0.055 . 1 . . . . 13 Val N . 18474 1
124 . 1 1 14 14 TRP H H 1 9.120 0.006 . 1 . . . . 14 Trp NH . 18474 1
125 . 1 1 14 14 TRP HA H 1 5.121 0.003 . 1 . . . . 14 Trp HA . 18474 1
126 . 1 1 14 14 TRP HB2 H 1 3.167 0.015 . 2 . . . . 14 Trp HB# . 18474 1
127 . 1 1 14 14 TRP HB3 H 1 3.167 0.015 . 2 . . . . 14 Trp HB# . 18474 1
128 . 1 1 14 14 TRP CA C 13 56.731 0.104 . 1 . . . . 14 Trp CA . 18474 1
129 . 1 1 14 14 TRP CB C 13 32.651 0.079 . 1 . . . . 14 Trp CB . 18474 1
130 . 1 1 14 14 TRP N N 15 119.541 0.057 . 1 . . . . 14 Trp N . 18474 1
131 . 1 1 15 15 LEU H H 1 9.536 0.007 . 1 . . . . 15 Leu NH . 18474 1
132 . 1 1 15 15 LEU HA H 1 5.461 0.014 . 1 . . . . 15 Leu HA . 18474 1
133 . 1 1 15 15 LEU HB2 H 1 1.026 0.005 . 2 . . . . 15 Leu HB2 . 18474 1
134 . 1 1 15 15 LEU HB3 H 1 2.065 0.005 . 2 . . . . 15 Leu HB3 . 18474 1
135 . 1 1 15 15 LEU HG H 1 0.724 0.006 . 1 . . . . 15 Leu HG . 18474 1
136 . 1 1 15 15 LEU HD11 H 1 0.514 0.006 . 2 . . . . 15 Leu HD# . 18474 1
137 . 1 1 15 15 LEU HD12 H 1 0.514 0.006 . 2 . . . . 15 Leu HD# . 18474 1
138 . 1 1 15 15 LEU HD13 H 1 0.514 0.006 . 2 . . . . 15 Leu HD# . 18474 1
139 . 1 1 15 15 LEU HD21 H 1 0.514 0.006 . 2 . . . . 15 Leu HD# . 18474 1
140 . 1 1 15 15 LEU HD22 H 1 0.514 0.006 . 2 . . . . 15 Leu HD# . 18474 1
141 . 1 1 15 15 LEU HD23 H 1 0.514 0.006 . 2 . . . . 15 Leu HD# . 18474 1
142 . 1 1 15 15 LEU CA C 13 52.843 0.156 . 1 . . . . 15 Leu CA . 18474 1
143 . 1 1 15 15 LEU CB C 13 46.548 0.064 . 1 . . . . 15 Leu CB . 18474 1
144 . 1 1 15 15 LEU CG C 13 26.409 0.000 . 1 . . . . 15 Leu CG . 18474 1
145 . 1 1 15 15 LEU CD1 C 13 23.531 0.000 . 2 . . . . 15 Leu CD# . 18474 1
146 . 1 1 15 15 LEU CD2 C 13 23.531 0.000 . 2 . . . . 15 Leu CD# . 18474 1
147 . 1 1 15 15 LEU N N 15 123.465 0.044 . 1 . . . . 15 Leu N . 18474 1
148 . 1 1 16 16 LYS H H 1 9.170 0.008 . 1 . . . . 16 Lys NH . 18474 1
149 . 1 1 16 16 LYS HA H 1 4.226 0.004 . 1 . . . . 16 Lys HA . 18474 1
150 . 1 1 16 16 LYS HB2 H 1 1.166 0.000 . 2 . . . . 16 Lys HB2 . 18474 1
151 . 1 1 16 16 LYS HB3 H 1 1.366 0.000 . 2 . . . . 16 Lys HB3 . 18474 1
152 . 1 1 16 16 LYS HG2 H 1 0.076 0.014 . 2 . . . . 16 Lys HG# . 18474 1
153 . 1 1 16 16 LYS HG3 H 1 0.076 0.014 . 2 . . . . 16 Lys HG# . 18474 1
154 . 1 1 16 16 LYS HD2 H 1 0.820 0.009 . 2 . . . . 16 Lys HD# . 18474 1
155 . 1 1 16 16 LYS HD3 H 1 0.820 0.009 . 2 . . . . 16 Lys HD# . 18474 1
156 . 1 1 16 16 LYS HE2 H 1 2.587 0.004 . 2 . . . . 16 Lys HE# . 18474 1
157 . 1 1 16 16 LYS HE3 H 1 2.587 0.004 . 2 . . . . 16 Lys HE# . 18474 1
158 . 1 1 16 16 LYS CA C 13 56.790 0.000 . 1 . . . . 16 Lys CA . 18474 1
159 . 1 1 16 16 LYS CB C 13 31.638 0.000 . 1 . . . . 16 Lys CB . 18474 1
160 . 1 1 16 16 LYS CG C 13 24.757 0.000 . 1 . . . . 16 Lys CG . 18474 1
161 . 1 1 16 16 LYS N N 15 131.058 0.060 . 1 . . . . 16 Lys N . 18474 1
162 . 1 1 17 17 THR H H 1 8.412 0.004 . 1 . . . . 17 Thr NH . 18474 1
163 . 1 1 17 17 THR HA H 1 4.226 0.004 . 1 . . . . 17 Thr HA . 18474 1
164 . 1 1 17 17 THR HG21 H 1 1.046 0.007 . 1 . . . . 17 Thr HG2# . 18474 1
165 . 1 1 17 17 THR HG22 H 1 1.046 0.007 . 1 . . . . 17 Thr HG2# . 18474 1
166 . 1 1 17 17 THR HG23 H 1 1.046 0.007 . 1 . . . . 17 Thr HG2# . 18474 1
167 . 1 1 17 17 THR CA C 13 61.407 0.022 . 1 . . . . 17 Thr CA . 18474 1
168 . 1 1 17 17 THR CB C 13 69.141 0.002 . 1 . . . . 17 Thr CB . 18474 1
169 . 1 1 17 17 THR CG2 C 13 21.766 0.000 . 1 . . . . 17 Thr CG2 . 18474 1
170 . 1 1 17 17 THR N N 15 119.805 0.081 . 1 . . . . 17 Thr N . 18474 1
171 . 1 1 18 18 GLY H H 1 7.713 0.006 . 1 . . . . 18 Gly NH . 18474 1
172 . 1 1 18 18 GLY HA2 H 1 4.030 0.000 . 2 . . . . 18 Gly HA# . 18474 1
173 . 1 1 18 18 GLY HA3 H 1 4.030 0.000 . 2 . . . . 18 Gly HA# . 18474 1
174 . 1 1 18 18 GLY CA C 13 44.586 0.078 . 1 . . . . 18 Gly CA . 18474 1
175 . 1 1 18 18 GLY N N 15 110.461 0.034 . 1 . . . . 18 Gly N . 18474 1
176 . 1 1 19 19 ALA H H 1 8.544 0.008 . 1 . . . . 19 Ala NH . 18474 1
177 . 1 1 19 19 ALA HA H 1 3.934 0.002 . 1 . . . . 19 Ala HA . 18474 1
178 . 1 1 19 19 ALA HB1 H 1 1.285 0.004 . 1 . . . . 19 Ala HB# . 18474 1
179 . 1 1 19 19 ALA HB2 H 1 1.285 0.004 . 1 . . . . 19 Ala HB# . 18474 1
180 . 1 1 19 19 ALA HB3 H 1 1.285 0.004 . 1 . . . . 19 Ala HB# . 18474 1
181 . 1 1 19 19 ALA CA C 13 54.908 0.101 . 1 . . . . 19 Ala CA . 18474 1
182 . 1 1 19 19 ALA CB C 13 18.139 0.155 . 1 . . . . 19 Ala CB . 18474 1
183 . 1 1 19 19 ALA N N 15 122.861 0.089 . 1 . . . . 19 Ala N . 18474 1
184 . 1 1 20 20 ASN H H 1 8.621 0.010 . 1 . . . . 20 Asn NH . 18474 1
185 . 1 1 20 20 ASN HA H 1 4.655 0.009 . 1 . . . . 20 Asn HA . 18474 1
186 . 1 1 20 20 ASN HB2 H 1 2.606 0.004 . 2 . . . . 20 Asn HB2 . 18474 1
187 . 1 1 20 20 ASN HB3 H 1 2.919 0.009 . 2 . . . . 20 Asn HB3 . 18474 1
188 . 1 1 20 20 ASN CA C 13 52.885 0.104 . 1 . . . . 20 Asn CA . 18474 1
189 . 1 1 20 20 ASN CB C 13 39.826 0.093 . 1 . . . . 20 Asn CB . 18474 1
190 . 1 1 20 20 ASN N N 15 114.108 0.045 . 1 . . . . 20 Asn N . 18474 1
191 . 1 1 21 21 THR H H 1 6.900 0.020 . 1 . . . . 21 Thr NH . 18474 1
192 . 1 1 21 21 THR HA H 1 4.621 0.008 . 1 . . . . 21 Thr HA . 18474 1
193 . 1 1 21 21 THR HB H 1 3.854 0.002 . 1 . . . . 21 Thr HB . 18474 1
194 . 1 1 21 21 THR HG21 H 1 1.215 0.012 . 1 . . . . 21 Thr HG2# . 18474 1
195 . 1 1 21 21 THR HG22 H 1 1.215 0.012 . 1 . . . . 21 Thr HG2# . 18474 1
196 . 1 1 21 21 THR HG23 H 1 1.215 0.012 . 1 . . . . 21 Thr HG2# . 18474 1
197 . 1 1 21 21 THR CA C 13 62.089 0.104 . 1 . . . . 21 Thr CA . 18474 1
198 . 1 1 21 21 THR CB C 13 71.597 0.081 . 1 . . . . 21 Thr CB . 18474 1
199 . 1 1 21 21 THR CG2 C 13 21.377 0.000 . 1 . . . . 21 Thr CG2 . 18474 1
200 . 1 1 21 21 THR N N 15 112.308 0.152 . 1 . . . . 21 Thr N . 18474 1
201 . 1 1 22 22 TRP H H 1 8.353 0.009 . 1 . . . . 22 Trp NH . 18474 1
202 . 1 1 22 22 TRP HA H 1 5.378 0.004 . 1 . . . . 22 Trp HA . 18474 1
203 . 1 1 22 22 TRP HB2 H 1 2.581 0.011 . 2 . . . . 22 Trp HB# . 18474 1
204 . 1 1 22 22 TRP HB3 H 1 2.581 0.011 . 2 . . . . 22 Trp HB# . 18474 1
205 . 1 1 22 22 TRP CA C 13 56.319 0.098 . 1 . . . . 22 Trp CA . 18474 1
206 . 1 1 22 22 TRP CB C 13 32.889 0.067 . 1 . . . . 22 Trp CB . 18474 1
207 . 1 1 22 22 TRP N N 15 124.995 0.048 . 1 . . . . 22 Trp N . 18474 1
208 . 1 1 23 23 TRP H H 1 10.064 0.006 . 1 . . . . 23 Trp NH . 18474 1
209 . 1 1 23 23 TRP HB2 H 1 3.224 0.000 . 2 . . . . 23 Trp HB# . 18474 1
210 . 1 1 23 23 TRP HB3 H 1 3.224 0.000 . 2 . . . . 23 Trp HB# . 18474 1
211 . 1 1 23 23 TRP CA C 13 55.114 0.000 . 1 . . . . 23 Trp CA . 18474 1
212 . 1 1 23 23 TRP CB C 13 34.743 0.000 . 1 . . . . 23 Trp CB . 18474 1
213 . 1 1 23 23 TRP N N 15 124.538 0.045 . 1 . . . . 23 Trp N . 18474 1
214 . 1 1 24 24 PRO HA H 1 4.989 0.005 . 1 . . . . 24 Pro HA . 18474 1
215 . 1 1 24 24 PRO HB2 H 1 1.075 0.000 . 2 . . . . 24 Pro HB2 . 18474 1
216 . 1 1 24 24 PRO HB3 H 1 1.264 0.010 . 2 . . . . 24 Pro HB3 . 18474 1
217 . 1 1 24 24 PRO CA C 13 62.405 0.065 . 1 . . . . 24 Pro CA . 18474 1
218 . 1 1 24 24 PRO CB C 13 31.868 0.037 . 1 . . . . 24 Pro CB . 18474 1
219 . 1 1 24 24 PRO CG C 13 27.706 0.000 . 1 . . . . 24 Pro CG . 18474 1
220 . 1 1 24 24 PRO CD C 13 50.170 0.000 . 1 . . . . 24 Pro CD . 18474 1
221 . 1 1 25 25 ALA H H 1 9.511 0.007 . 1 . . . . 25 Ala NH . 18474 1
222 . 1 1 25 25 ALA HA H 1 4.816 0.004 . 1 . . . . 25 Ala HA . 18474 1
223 . 1 1 25 25 ALA HB1 H 1 1.012 0.008 . 1 . . . . 25 Ala HB . 18474 1
224 . 1 1 25 25 ALA HB2 H 1 1.012 0.008 . 1 . . . . 25 Ala HB . 18474 1
225 . 1 1 25 25 ALA HB3 H 1 1.012 0.008 . 1 . . . . 25 Ala HB . 18474 1
226 . 1 1 25 25 ALA CA C 13 51.151 0.094 . 1 . . . . 25 Ala CA . 18474 1
227 . 1 1 25 25 ALA CB C 13 23.345 0.151 . 1 . . . . 25 Ala CB . 18474 1
228 . 1 1 25 25 ALA N N 15 124.577 0.078 . 1 . . . . 25 Ala N . 18474 1
229 . 1 1 26 26 LYS H H 1 7.994 0.007 . 1 . . . . 26 Lys NH . 18474 1
230 . 1 1 26 26 LYS HA H 1 5.255 0.004 . 1 . . . . 26 Lys HA . 18474 1
231 . 1 1 26 26 LYS HB2 H 1 1.530 0.015 . 2 . . . . 26 Lys HB# . 18474 1
232 . 1 1 26 26 LYS HB3 H 1 1.530 0.015 . 2 . . . . 26 Lys HB# . 18474 1
233 . 1 1 26 26 LYS HD2 H 1 1.121 0.006 . 2 . . . . 26 Lys HD# . 18474 1
234 . 1 1 26 26 LYS HD3 H 1 1.121 0.006 . 2 . . . . 26 Lys HD# . 18474 1
235 . 1 1 26 26 LYS CA C 13 54.902 0.078 . 1 . . . . 26 Lys CA . 18474 1
236 . 1 1 26 26 LYS CB C 13 35.264 0.056 . 1 . . . . 26 Lys CB . 18474 1
237 . 1 1 26 26 LYS CG C 13 24.870 0.000 . 1 . . . . 26 Lys CG . 18474 1
238 . 1 1 26 26 LYS N N 15 121.161 0.028 . 1 . . . . 26 Lys N . 18474 1
239 . 1 1 27 27 VAL H H 1 8.947 0.006 . 1 . . . . 27 Val NH . 18474 1
240 . 1 1 27 27 VAL HA H 1 4.117 0.009 . 1 . . . . 27 Val HA . 18474 1
241 . 1 1 27 27 VAL HB H 1 2.412 0.008 . 1 . . . . 27 Val HB . 18474 1
242 . 1 1 27 27 VAL HG11 H 1 0.701 0.009 . 2 . . . . 27 Val HG1 . 18474 1
243 . 1 1 27 27 VAL HG12 H 1 0.701 0.009 . 2 . . . . 27 Val HG1 . 18474 1
244 . 1 1 27 27 VAL HG13 H 1 0.701 0.009 . 2 . . . . 27 Val HG1 . 18474 1
245 . 1 1 27 27 VAL HG21 H 1 0.879 0.006 . 2 . . . . 27 Val HG2 . 18474 1
246 . 1 1 27 27 VAL HG22 H 1 0.879 0.006 . 2 . . . . 27 Val HG2 . 18474 1
247 . 1 1 27 27 VAL HG23 H 1 0.879 0.006 . 2 . . . . 27 Val HG2 . 18474 1
248 . 1 1 27 27 VAL CA C 13 63.587 0.077 . 1 . . . . 27 Val CA . 18474 1
249 . 1 1 27 27 VAL CB C 13 31.955 0.027 . 1 . . . . 27 Val CB . 18474 1
250 . 1 1 27 27 VAL CG1 C 13 22.513 0.000 . 2 . . . . 27 Val CG# . 18474 1
251 . 1 1 27 27 VAL CG2 C 13 22.513 0.000 . 2 . . . . 27 Val CG# . 18474 1
252 . 1 1 27 27 VAL N N 15 125.998 0.071 . 1 . . . . 27 Val N . 18474 1
253 . 1 1 28 28 THR H H 1 9.480 0.014 . 1 . . . . 28 Thr NH . 18474 1
254 . 1 1 28 28 THR HA H 1 4.597 0.006 . 1 . . . . 28 Thr HA . 18474 1
255 . 1 1 28 28 THR HB H 1 4.332 0.009 . 1 . . . . 28 Thr HB . 18474 1
256 . 1 1 28 28 THR HG21 H 1 1.149 0.007 . 1 . . . . 28 Thr HG2# . 18474 1
257 . 1 1 28 28 THR HG22 H 1 1.149 0.007 . 1 . . . . 28 Thr HG2# . 18474 1
258 . 1 1 28 28 THR HG23 H 1 1.149 0.007 . 1 . . . . 28 Thr HG2# . 18474 1
259 . 1 1 28 28 THR CA C 13 63.190 0.056 . 1 . . . . 28 Thr CA . 18474 1
260 . 1 1 28 28 THR CB C 13 69.061 0.029 . 1 . . . . 28 Thr CB . 18474 1
261 . 1 1 28 28 THR CG2 C 13 22.564 0.000 . 1 . . . . 28 Thr CG2 . 18474 1
262 . 1 1 28 28 THR N N 15 121.217 0.047 . 1 . . . . 28 Thr N . 18474 1
263 . 1 1 29 29 SER H H 1 7.736 0.005 . 1 . . . . 29 Ser NH . 18474 1
264 . 1 1 29 29 SER HA H 1 4.405 0.007 . 1 . . . . 29 Ser HA . 18474 1
265 . 1 1 29 29 SER HB2 H 1 3.671 0.006 . 2 . . . . 29 Ser HB2 . 18474 1
266 . 1 1 29 29 SER HB3 H 1 3.761 0.009 . 2 . . . . 29 Ser HB3 . 18474 1
267 . 1 1 29 29 SER CA C 13 58.815 0.117 . 1 . . . . 29 Ser CA . 18474 1
268 . 1 1 29 29 SER CB C 13 64.616 0.108 . 1 . . . . 29 Ser CB . 18474 1
269 . 1 1 29 29 SER N N 15 116.002 0.045 . 1 . . . . 29 Ser N . 18474 1
270 . 1 1 30 30 VAL H H 1 8.330 0.005 . 1 . . . . 30 Val NH . 18474 1
271 . 1 1 30 30 VAL HA H 1 4.727 0.005 . 1 . . . . 30 Val HA . 18474 1
272 . 1 1 30 30 VAL HB H 1 2.011 0.006 . 1 . . . . 30 Val HB . 18474 1
273 . 1 1 30 30 VAL HG11 H 1 0.841 0.005 . 2 . . . . 30 Val HG# . 18474 1
274 . 1 1 30 30 VAL HG12 H 1 0.841 0.005 . 2 . . . . 30 Val HG# . 18474 1
275 . 1 1 30 30 VAL HG13 H 1 0.841 0.005 . 2 . . . . 30 Val HG# . 18474 1
276 . 1 1 30 30 VAL HG21 H 1 0.841 0.005 . 2 . . . . 30 Val HG# . 18474 1
277 . 1 1 30 30 VAL HG22 H 1 0.841 0.005 . 2 . . . . 30 Val HG# . 18474 1
278 . 1 1 30 30 VAL HG23 H 1 0.841 0.005 . 2 . . . . 30 Val HG# . 18474 1
279 . 1 1 30 30 VAL CA C 13 61.838 0.147 . 1 . . . . 30 Val CA . 18474 1
280 . 1 1 30 30 VAL CB C 13 34.715 0.038 . 1 . . . . 30 Val CB . 18474 1
281 . 1 1 30 30 VAL CG1 C 13 21.052 0.000 . 2 . . . . 30 Val CG# . 18474 1
282 . 1 1 30 30 VAL CG2 C 13 21.052 0.000 . 2 . . . . 30 Val CG# . 18474 1
283 . 1 1 30 30 VAL N N 15 121.421 0.044 . 1 . . . . 30 Val N . 18474 1
284 . 1 1 31 31 THR H H 1 8.505 0.006 . 1 . . . . 31 Thr NH . 18474 1
285 . 1 1 31 31 THR HA H 1 4.574 0.003 . 1 . . . . 31 Thr HA . 18474 1
286 . 1 1 31 31 THR HB H 1 4.135 0.005 . 1 . . . . 31 Thr HB . 18474 1
287 . 1 1 31 31 THR HG21 H 1 1.161 0.012 . 1 . . . . 31 Thr HG2# . 18474 1
288 . 1 1 31 31 THR HG22 H 1 1.161 0.012 . 1 . . . . 31 Thr HG2# . 18474 1
289 . 1 1 31 31 THR HG23 H 1 1.161 0.012 . 1 . . . . 31 Thr HG2# . 18474 1
290 . 1 1 31 31 THR CA C 13 61.567 0.021 . 1 . . . . 31 Thr CA . 18474 1
291 . 1 1 31 31 THR CB C 13 70.923 0.026 . 1 . . . . 31 Thr CB . 18474 1
292 . 1 1 31 31 THR N N 15 119.112 0.041 . 1 . . . . 31 Thr N . 18474 1
293 . 1 1 32 32 GLY H H 1 8.688 0.008 . 1 . . . . 32 Gly NH . 18474 1
294 . 1 1 32 32 GLY HA2 H 1 3.951 0.004 . 2 . . . . 32 Gly HA2 . 18474 1
295 . 1 1 32 32 GLY HA3 H 1 4.165 0.008 . 2 . . . . 32 Gly HA3 . 18474 1
296 . 1 1 32 32 GLY CA C 13 45.444 0.136 . 1 . . . . 32 Gly CA . 18474 1
297 . 1 1 32 32 GLY N N 15 112.159 0.015 . 1 . . . . 32 Gly N . 18474 1
298 . 1 1 33 33 VAL H H 1 8.172 0.004 . 1 . . . . 33 Val NH . 18474 1
299 . 1 1 33 33 VAL HA H 1 4.086 0.003 . 1 . . . . 33 Val HA . 18474 1
300 . 1 1 33 33 VAL HB H 1 1.974 0.011 . 1 . . . . 33 Val HB . 18474 1
301 . 1 1 33 33 VAL HG11 H 1 0.834 0.006 . 2 . . . . 33 Val HG# . 18474 1
302 . 1 1 33 33 VAL HG12 H 1 0.834 0.006 . 2 . . . . 33 Val HG# . 18474 1
303 . 1 1 33 33 VAL HG13 H 1 0.834 0.006 . 2 . . . . 33 Val HG# . 18474 1
304 . 1 1 33 33 VAL HG21 H 1 0.834 0.006 . 2 . . . . 33 Val HG# . 18474 1
305 . 1 1 33 33 VAL HG22 H 1 0.834 0.006 . 2 . . . . 33 Val HG# . 18474 1
306 . 1 1 33 33 VAL HG23 H 1 0.834 0.006 . 2 . . . . 33 Val HG# . 18474 1
307 . 1 1 33 33 VAL CA C 13 62.344 0.059 . 1 . . . . 33 Val CA . 18474 1
308 . 1 1 33 33 VAL CB C 13 32.843 0.054 . 1 . . . . 33 Val CB . 18474 1
309 . 1 1 33 33 VAL CG1 C 13 21.020 0.000 . 2 . . . . 33 Val CG# . 18474 1
310 . 1 1 33 33 VAL CG2 C 13 21.020 0.000 . 2 . . . . 33 Val CG# . 18474 1
311 . 1 1 33 33 VAL N N 15 120.000 0.044 . 1 . . . . 33 Val N . 18474 1
312 . 1 1 34 34 GLU H H 1 8.630 0.004 . 1 . . . . 34 Glu NH . 18474 1
313 . 1 1 34 34 GLU HA H 1 4.258 0.004 . 1 . . . . 34 Glu HA . 18474 1
314 . 1 1 34 34 GLU HB2 H 1 1.938 0.003 . 2 . . . . 34 Glu HB# . 18474 1
315 . 1 1 34 34 GLU HB3 H 1 1.938 0.003 . 2 . . . . 34 Glu HB# . 18474 1
316 . 1 1 34 34 GLU HG2 H 1 2.206 0.009 . 2 . . . . 34 Glu HG# . 18474 1
317 . 1 1 34 34 GLU HG3 H 1 2.206 0.009 . 2 . . . . 34 Glu HG# . 18474 1
318 . 1 1 34 34 GLU CA C 13 56.743 0.045 . 1 . . . . 34 Glu CA . 18474 1
319 . 1 1 34 34 GLU CB C 13 30.399 0.193 . 1 . . . . 34 Glu CB . 18474 1
320 . 1 1 34 34 GLU CG C 13 36.102 0.000 . 1 . . . . 34 Glu CG . 18474 1
321 . 1 1 34 34 GLU N N 15 124.972 0.035 . 1 . . . . 34 Glu N . 18474 1
322 . 1 1 35 35 GLY H H 1 8.441 0.005 . 1 . . . . 35 Gly NH . 18474 1
323 . 1 1 35 35 GLY HA2 H 1 3.955 0.008 . 2 . . . . 35 Gly HA# . 18474 1
324 . 1 1 35 35 GLY HA3 H 1 3.955 0.008 . 2 . . . . 35 Gly HA# . 18474 1
325 . 1 1 35 35 GLY CA C 13 45.259 0.158 . 1 . . . . 35 Gly CA . 18474 1
326 . 1 1 35 35 GLY N N 15 110.320 0.032 . 1 . . . . 35 Gly N . 18474 1
327 . 1 1 36 36 VAL H H 1 8.133 0.005 . 1 . . . . 36 Val NH . 18474 1
328 . 1 1 36 36 VAL HA H 1 4.057 0.004 . 1 . . . . 36 Val HA . 18474 1
329 . 1 1 36 36 VAL HB H 1 2.019 0.012 . 1 . . . . 36 Val HB . 18474 1
330 . 1 1 36 36 VAL HG11 H 1 0.849 0.007 . 2 . . . . 36 Val HG# . 18474 1
331 . 1 1 36 36 VAL HG12 H 1 0.849 0.007 . 2 . . . . 36 Val HG# . 18474 1
332 . 1 1 36 36 VAL HG13 H 1 0.849 0.007 . 2 . . . . 36 Val HG# . 18474 1
333 . 1 1 36 36 VAL HG21 H 1 0.849 0.007 . 2 . . . . 36 Val HG# . 18474 1
334 . 1 1 36 36 VAL HG22 H 1 0.849 0.007 . 2 . . . . 36 Val HG# . 18474 1
335 . 1 1 36 36 VAL HG23 H 1 0.849 0.007 . 2 . . . . 36 Val HG# . 18474 1
336 . 1 1 36 36 VAL CA C 13 62.733 0.064 . 1 . . . . 36 Val CA . 18474 1
337 . 1 1 36 36 VAL CB C 13 32.595 0.069 . 1 . . . . 36 Val CB . 18474 1
338 . 1 1 36 36 VAL CG1 C 13 20.762 0.000 . 2 . . . . 36 Val CG# . 18474 1
339 . 1 1 36 36 VAL CG2 C 13 20.762 0.000 . 2 . . . . 36 Val CG# . 18474 1
340 . 1 1 36 36 VAL N N 15 119.102 0.027 . 1 . . . . 36 Val N . 18474 1
341 . 1 1 37 37 ASP H H 1 8.473 0.005 . 1 . . . . 37 Asp NH . 18474 1
342 . 1 1 37 37 ASP HA H 1 4.503 0.006 . 1 . . . . 37 Asp HA . 18474 1
343 . 1 1 37 37 ASP HB2 H 1 2.662 0.005 . 2 . . . . 37 Asp HB# . 18474 1
344 . 1 1 37 37 ASP HB3 H 1 2.662 0.005 . 2 . . . . 37 Asp HB# . 18474 1
345 . 1 1 37 37 ASP CA C 13 54.541 0.120 . 1 . . . . 37 Asp CA . 18474 1
346 . 1 1 37 37 ASP CB C 13 40.921 0.101 . 1 . . . . 37 Asp CB . 18474 1
347 . 1 1 37 37 ASP N N 15 122.326 0.034 . 1 . . . . 37 Asp N . 18474 1
348 . 1 1 38 38 GLY H H 1 8.292 0.005 . 1 . . . . 38 Gly NH . 18474 1
349 . 1 1 38 38 GLY HA2 H 1 3.800 0.002 . 2 . . . . 38 Gly HA2 . 18474 1
350 . 1 1 38 38 GLY HA3 H 1 3.976 0.008 . 2 . . . . 38 Gly HA3 . 18474 1
351 . 1 1 38 38 GLY CA C 13 45.830 0.105 . 1 . . . . 38 Gly CA . 18474 1
352 . 1 1 38 38 GLY N N 15 108.882 0.019 . 1 . . . . 38 Gly N . 18474 1
353 . 1 1 39 39 ARG H H 1 8.038 0.004 . 1 . . . . 39 Arg NH . 18474 1
354 . 1 1 39 39 ARG HA H 1 4.375 0.006 . 1 . . . . 39 Arg HA . 18474 1
355 . 1 1 39 39 ARG HB2 H 1 1.788 0.009 . 2 . . . . 39 Arg HB# . 18474 1
356 . 1 1 39 39 ARG HB3 H 1 1.788 0.009 . 2 . . . . 39 Arg HB# . 18474 1
357 . 1 1 39 39 ARG HG2 H 1 1.554 0.006 . 2 . . . . 39 Arg HG# . 18474 1
358 . 1 1 39 39 ARG HG3 H 1 1.554 0.006 . 2 . . . . 39 Arg HG# . 18474 1
359 . 1 1 39 39 ARG HD2 H 1 3.124 0.010 . 2 . . . . 39 Arg HD# . 18474 1
360 . 1 1 39 39 ARG HD3 H 1 3.124 0.010 . 2 . . . . 39 Arg HD# . 18474 1
361 . 1 1 39 39 ARG CA C 13 56.079 0.162 . 1 . . . . 39 Arg CA . 18474 1
362 . 1 1 39 39 ARG CB C 13 30.790 0.067 . 1 . . . . 39 Arg CB . 18474 1
363 . 1 1 39 39 ARG CG C 13 27.150 0.000 . 1 . . . . 39 Arg CG . 18474 1
364 . 1 1 39 39 ARG CD C 13 43.330 0.000 . 1 . . . . 39 Arg CD . 18474 1
365 . 1 1 39 39 ARG N N 15 120.044 0.026 . 1 . . . . 39 Arg N . 18474 1
366 . 1 1 40 40 SER H H 1 8.432 0.005 . 1 . . . . 40 Ser NH . 18474 1
367 . 1 1 40 40 SER HA H 1 4.437 0.009 . 1 . . . . 40 Ser HA . 18474 1
368 . 1 1 40 40 SER HB2 H 1 3.845 0.000 . 2 . . . . 40 Ser HB# . 18474 1
369 . 1 1 40 40 SER HB3 H 1 3.845 0.000 . 2 . . . . 40 Ser HB# . 18474 1
370 . 1 1 40 40 SER CA C 13 58.454 0.108 . 1 . . . . 40 Ser CA . 18474 1
371 . 1 1 40 40 SER CB C 13 63.996 0.003 . 1 . . . . 40 Ser CB . 18474 1
372 . 1 1 40 40 SER N N 15 116.904 0.034 . 1 . . . . 40 Ser N . 18474 1
373 . 1 1 41 41 SER H H 1 8.416 0.007 . 1 . . . . 41 Ser NH . 18474 1
374 . 1 1 41 41 SER HA H 1 4.497 0.087 . 1 . . . . 41 Ser HA . 18474 1
375 . 1 1 41 41 SER HB2 H 1 3.842 0.009 . 2 . . . . 41 Ser HB# . 18474 1
376 . 1 1 41 41 SER HB3 H 1 3.842 0.009 . 2 . . . . 41 Ser HB# . 18474 1
377 . 1 1 41 41 SER CA C 13 58.541 0.118 . 1 . . . . 41 Ser CA . 18474 1
378 . 1 1 41 41 SER CB C 13 64.061 0.071 . 1 . . . . 41 Ser CB . 18474 1
379 . 1 1 41 41 SER N N 15 117.491 0.101 . 1 . . . . 41 Ser N . 18474 1
380 . 1 1 42 42 GLU H H 1 8.559 0.005 . 1 . . . . 42 Glu NH . 18474 1
381 . 1 1 42 42 GLU HA H 1 4.297 0.004 . 1 . . . . 42 Glu HA . 18474 1
382 . 1 1 42 42 GLU HB2 H 1 1.929 0.005 . 2 . . . . 42 Glu HB2 . 18474 1
383 . 1 1 42 42 GLU HB3 H 1 2.056 0.008 . 2 . . . . 42 Glu HB3 . 18474 1
384 . 1 1 42 42 GLU HG2 H 1 2.221 0.014 . 2 . . . . 42 Glu HG# . 18474 1
385 . 1 1 42 42 GLU HG3 H 1 2.221 0.014 . 2 . . . . 42 Glu HG# . 18474 1
386 . 1 1 42 42 GLU CA C 13 57.161 0.139 . 1 . . . . 42 Glu CA . 18474 1
387 . 1 1 42 42 GLU CB C 13 30.096 0.080 . 1 . . . . 42 Glu CB . 18474 1
388 . 1 1 42 42 GLU CG C 13 36.394 0.000 . 1 . . . . 42 Glu CG . 18474 1
389 . 1 1 42 42 GLU N N 15 122.564 0.080 . 1 . . . . 42 Glu N . 18474 1
390 . 1 1 43 43 THR H H 1 8.073 0.004 . 1 . . . . 43 Thr NH . 18474 1
391 . 1 1 43 43 THR HA H 1 4.298 0.024 . 1 . . . . 43 Thr HA . 18474 1
392 . 1 1 43 43 THR HB H 1 4.180 0.000 . 1 . . . . 43 Thr HB . 18474 1
393 . 1 1 43 43 THR HG21 H 1 1.132 0.007 . 1 . . . . 43 Thr HG2# . 18474 1
394 . 1 1 43 43 THR HG22 H 1 1.132 0.007 . 1 . . . . 43 Thr HG2# . 18474 1
395 . 1 1 43 43 THR HG23 H 1 1.132 0.007 . 1 . . . . 43 Thr HG2# . 18474 1
396 . 1 1 43 43 THR CA C 13 62.096 0.063 . 1 . . . . 43 Thr CA . 18474 1
397 . 1 1 43 43 THR CB C 13 69.861 0.149 . 1 . . . . 43 Thr CB . 18474 1
398 . 1 1 43 43 THR CG2 C 13 21.557 0.000 . 1 . . . . 43 Thr CG2 . 18474 1
399 . 1 1 43 43 THR N N 15 112.581 0.026 . 1 . . . . 43 Thr N . 18474 1
400 . 1 1 44 44 GLY H H 1 8.336 0.005 . 1 . . . . 44 Gly NH . 18474 1
401 . 1 1 44 44 GLY HA2 H 1 3.984 0.003 . 2 . . . . 44 Gly HA# . 18474 1
402 . 1 1 44 44 GLY HA3 H 1 3.984 0.003 . 2 . . . . 44 Gly HA# . 18474 1
403 . 1 1 44 44 GLY CA C 13 45.537 0.133 . 1 . . . . 44 Gly CA . 18474 1
404 . 1 1 44 44 GLY N N 15 111.292 0.022 . 1 . . . . 44 Gly N . 18474 1
405 . 1 1 45 45 THR H H 1 8.067 0.005 . 1 . . . . 45 Thr NH . 18474 1
406 . 1 1 45 45 THR HA H 1 4.415 0.005 . 1 . . . . 45 Thr HA . 18474 1
407 . 1 1 45 45 THR HB H 1 4.141 0.002 . 1 . . . . 45 Thr HB . 18474 1
408 . 1 1 45 45 THR HG21 H 1 1.077 0.002 . 1 . . . . 45 Thr HG2# . 18474 1
409 . 1 1 45 45 THR HG22 H 1 1.077 0.002 . 1 . . . . 45 Thr HG2# . 18474 1
410 . 1 1 45 45 THR HG23 H 1 1.077 0.002 . 1 . . . . 45 Thr HG2# . 18474 1
411 . 1 1 45 45 THR CA C 13 61.667 0.041 . 1 . . . . 45 Thr CA . 18474 1
412 . 1 1 45 45 THR CB C 13 70.300 0.085 . 1 . . . . 45 Thr CB . 18474 1
413 . 1 1 45 45 THR CG2 C 13 21.278 0.000 . 1 . . . . 45 Thr CG2 . 18474 1
414 . 1 1 45 45 THR N N 15 113.959 0.046 . 1 . . . . 45 Thr N . 18474 1
415 . 1 1 46 46 SER H H 1 8.748 0.003 . 1 . . . . 46 Ser NH . 18474 1
416 . 1 1 46 46 SER HA H 1 4.822 0.006 . 1 . . . . 46 Ser HA . 18474 1
417 . 1 1 46 46 SER HB2 H 1 3.704 0.007 . 2 . . . . 46 Ser HB# . 18474 1
418 . 1 1 46 46 SER HB3 H 1 3.704 0.007 . 2 . . . . 46 Ser HB# . 18474 1
419 . 1 1 46 46 SER CA C 13 57.701 0.081 . 1 . . . . 46 Ser CA . 18474 1
420 . 1 1 46 46 SER CB C 13 64.666 0.082 . 1 . . . . 46 Ser CB . 18474 1
421 . 1 1 46 46 SER N N 15 118.542 0.020 . 1 . . . . 46 Ser N . 18474 1
422 . 1 1 47 47 THR H H 1 8.730 0.005 . 1 . . . . 47 Thr NH . 18474 1
423 . 1 1 47 47 THR HA H 1 4.575 0.007 . 1 . . . . 47 Thr HA . 18474 1
424 . 1 1 47 47 THR HB H 1 3.831 0.010 . 1 . . . . 47 Thr HB . 18474 1
425 . 1 1 47 47 THR HG21 H 1 0.930 0.019 . 1 . . . . 47 Thr HG2# . 18474 1
426 . 1 1 47 47 THR HG22 H 1 0.930 0.019 . 1 . . . . 47 Thr HG2# . 18474 1
427 . 1 1 47 47 THR HG23 H 1 0.930 0.019 . 1 . . . . 47 Thr HG2# . 18474 1
428 . 1 1 47 47 THR CA C 13 62.398 0.027 . 1 . . . . 47 Thr CA . 18474 1
429 . 1 1 47 47 THR CB C 13 70.024 0.019 . 1 . . . . 47 Thr CB . 18474 1
430 . 1 1 47 47 THR CG2 C 13 21.679 0.000 . 1 . . . . 47 Thr CG2 . 18474 1
431 . 1 1 47 47 THR N N 15 120.549 0.067 . 1 . . . . 47 Thr N . 18474 1
432 . 1 1 48 48 VAL H H 1 9.389 0.008 . 1 . . . . 48 Val NH . 18474 1
433 . 1 1 48 48 VAL HA H 1 4.417 0.003 . 1 . . . . 48 Val HA . 18474 1
434 . 1 1 48 48 VAL HB H 1 1.865 0.008 . 1 . . . . 48 Val HB . 18474 1
435 . 1 1 48 48 VAL HG11 H 1 0.585 0.004 . 1 . . . . 48 Val HG# . 18474 1
436 . 1 1 48 48 VAL HG12 H 1 0.585 0.004 . 1 . . . . 48 Val HG# . 18474 1
437 . 1 1 48 48 VAL HG13 H 1 0.585 0.004 . 1 . . . . 48 Val HG# . 18474 1
438 . 1 1 48 48 VAL HG21 H 1 0.585 0.004 . 1 . . . . 48 Val HG# . 18474 1
439 . 1 1 48 48 VAL HG22 H 1 0.585 0.004 . 1 . . . . 48 Val HG# . 18474 1
440 . 1 1 48 48 VAL HG23 H 1 0.585 0.004 . 1 . . . . 48 Val HG# . 18474 1
441 . 1 1 48 48 VAL CA C 13 61.012 0.111 . 1 . . . . 48 Val CA . 18474 1
442 . 1 1 48 48 VAL CB C 13 33.314 0.030 . 1 . . . . 48 Val CB . 18474 1
443 . 1 1 48 48 VAL CG1 C 13 20.999 0.000 . 2 . . . . 48 Val CG1 . 18474 1
444 . 1 1 48 48 VAL CG2 C 13 22.657 0.000 . 2 . . . . 48 Val CG2 . 18474 1
445 . 1 1 48 48 VAL N N 15 128.462 0.023 . 1 . . . . 48 Val N . 18474 1
446 . 1 1 49 49 THR H H 1 8.920 0.007 . 1 . . . . 49 Thr NH . 18474 1
447 . 1 1 49 49 THR HA H 1 5.228 0.007 . 1 . . . . 49 Thr HA . 18474 1
448 . 1 1 49 49 THR HB H 1 3.797 0.008 . 1 . . . . 49 Thr HB . 18474 1
449 . 1 1 49 49 THR HG21 H 1 1.187 0.006 . 1 . . . . 49 Thr HG2# . 18474 1
450 . 1 1 49 49 THR HG22 H 1 1.187 0.006 . 1 . . . . 49 Thr HG2# . 18474 1
451 . 1 1 49 49 THR HG23 H 1 1.187 0.006 . 1 . . . . 49 Thr HG2# . 18474 1
452 . 1 1 49 49 THR CA C 13 61.903 0.168 . 1 . . . . 49 Thr CA . 18474 1
453 . 1 1 49 49 THR CB C 13 69.793 0.037 . 1 . . . . 49 Thr CB . 18474 1
454 . 1 1 49 49 THR CG2 C 13 22.311 0.000 . 1 . . . . 49 Thr CG2 . 18474 1
455 . 1 1 49 49 THR N N 15 123.919 0.033 . 1 . . . . 49 Thr N . 18474 1
456 . 1 1 50 50 VAL H H 1 9.336 0.006 . 1 . . . . 50 Val NH . 18474 1
457 . 1 1 50 50 VAL HA H 1 5.279 0.008 . 1 . . . . 50 Val HA . 18474 1
458 . 1 1 50 50 VAL HB H 1 1.617 0.008 . 1 . . . . 50 Val HB . 18474 1
459 . 1 1 50 50 VAL HG11 H 1 0.562 0.013 . 2 . . . . 50 Val HG# . 18474 1
460 . 1 1 50 50 VAL HG12 H 1 0.562 0.013 . 2 . . . . 50 Val HG# . 18474 1
461 . 1 1 50 50 VAL HG13 H 1 0.562 0.013 . 2 . . . . 50 Val HG# . 18474 1
462 . 1 1 50 50 VAL HG21 H 1 0.562 0.013 . 2 . . . . 50 Val HG# . 18474 1
463 . 1 1 50 50 VAL HG22 H 1 0.562 0.013 . 2 . . . . 50 Val HG# . 18474 1
464 . 1 1 50 50 VAL HG23 H 1 0.562 0.013 . 2 . . . . 50 Val HG# . 18474 1
465 . 1 1 50 50 VAL CA C 13 57.099 0.064 . 1 . . . . 50 Val CA . 18474 1
466 . 1 1 50 50 VAL CB C 13 34.154 0.157 . 1 . . . . 50 Val CB . 18474 1
467 . 1 1 50 50 VAL CG1 C 13 20.208 0.000 . 2 . . . . 50 Val CG1 . 18474 1
468 . 1 1 50 50 VAL CG2 C 13 22.248 0.000 . 2 . . . . 50 Val CG2 . 18474 1
469 . 1 1 50 50 VAL N N 15 118.924 0.027 . 1 . . . . 50 Val N . 18474 1
470 . 1 1 51 51 LEU H H 1 8.770 0.005 . 1 . . . . 51 Leu NH . 18474 1
471 . 1 1 51 51 LEU HA H 1 4.673 0.007 . 1 . . . . 51 Leu HA . 18474 1
472 . 1 1 51 51 LEU HB2 H 1 0.910 0.000 . 2 . . . . 51 Leu HB2 . 18474 1
473 . 1 1 51 51 LEU HB3 H 1 1.325 0.008 . 2 . . . . 51 Leu HB3 . 18474 1
474 . 1 1 51 51 LEU HD11 H 1 0.458 0.017 . 2 . . . . 51 Leu HD# . 18474 1
475 . 1 1 51 51 LEU HD12 H 1 0.458 0.017 . 2 . . . . 51 Leu HD# . 18474 1
476 . 1 1 51 51 LEU HD13 H 1 0.458 0.017 . 2 . . . . 51 Leu HD# . 18474 1
477 . 1 1 51 51 LEU HD21 H 1 0.458 0.017 . 2 . . . . 51 Leu HD# . 18474 1
478 . 1 1 51 51 LEU HD22 H 1 0.458 0.017 . 2 . . . . 51 Leu HD# . 18474 1
479 . 1 1 51 51 LEU HD23 H 1 0.458 0.017 . 2 . . . . 51 Leu HD# . 18474 1
480 . 1 1 51 51 LEU CA C 13 52.174 0.135 . 1 . . . . 51 Leu CA . 18474 1
481 . 1 1 51 51 LEU CB C 13 44.936 0.129 . 1 . . . . 51 Leu CB . 18474 1
482 . 1 1 51 51 LEU CG C 13 25.913 0.000 . 1 . . . . 51 Leu CG . 18474 1
483 . 1 1 51 51 LEU CD1 C 13 20.806 0.000 . 2 . . . . 51 Leu CD# . 18474 1
484 . 1 1 51 51 LEU CD2 C 13 20.806 0.000 . 2 . . . . 51 Leu CD# . 18474 1
485 . 1 1 51 51 LEU N N 15 122.588 0.066 . 1 . . . . 51 Leu N . 18474 1
486 . 1 1 52 52 THR H H 1 9.321 0.006 . 1 . . . . 52 Thr NH . 18474 1
487 . 1 1 52 52 THR HA H 1 4.479 0.010 . 1 . . . . 52 Thr HA . 18474 1
488 . 1 1 52 52 THR HB H 1 4.232 0.008 . 1 . . . . 52 Thr HB . 18474 1
489 . 1 1 52 52 THR HG21 H 1 1.008 0.006 . 1 . . . . 52 Thr HG2# . 18474 1
490 . 1 1 52 52 THR HG22 H 1 1.008 0.006 . 1 . . . . 52 Thr HG2# . 18474 1
491 . 1 1 52 52 THR HG23 H 1 1.008 0.006 . 1 . . . . 52 Thr HG2# . 18474 1
492 . 1 1 52 52 THR CA C 13 61.742 0.090 . 1 . . . . 52 Thr CA . 18474 1
493 . 1 1 52 52 THR CB C 13 68.961 0.078 . 1 . . . . 52 Thr CB . 18474 1
494 . 1 1 52 52 THR CG2 C 13 21.680 0.000 . 1 . . . . 52 Thr CG2 . 18474 1
495 . 1 1 52 52 THR N N 15 121.685 0.041 . 1 . . . . 52 Thr N . 18474 1
496 . 1 1 53 53 TYR H H 1 8.076 0.005 . 1 . . . . 53 Tyr NH . 18474 1
497 . 1 1 53 53 TYR HB2 H 1 2.925 0.000 . 2 . . . . 53 Tyr HB# . 18474 1
498 . 1 1 53 53 TYR HB3 H 1 2.925 0.000 . 2 . . . . 53 Tyr HB# . 18474 1
499 . 1 1 53 53 TYR CA C 13 58.073 0.000 . 1 . . . . 53 Tyr CA . 18474 1
500 . 1 1 53 53 TYR CB C 13 38.587 0.000 . 1 . . . . 53 Tyr CB . 18474 1
501 . 1 1 53 53 TYR N N 15 117.498 0.029 . 1 . . . . 53 Tyr N . 18474 1
502 . 1 1 54 54 PRO HA H 1 4.500 0.001 . 1 . . . . 54 Pro HA . 18474 1
503 . 1 1 54 54 PRO HB2 H 1 2.127 0.010 . 2 . . . . 54 Pro HB2 . 18474 1
504 . 1 1 54 54 PRO HB3 H 1 2.328 0.022 . 2 . . . . 54 Pro HB3 . 18474 1
505 . 1 1 54 54 PRO HG2 H 1 2.153 0.000 . 2 . . . . 54 Pro HG# . 18474 1
506 . 1 1 54 54 PRO HG3 H 1 2.153 0.000 . 2 . . . . 54 Pro HG# . 18474 1
507 . 1 1 54 54 PRO HD2 H 1 4.001 0.008 . 2 . . . . 54 Pro HD# . 18474 1
508 . 1 1 54 54 PRO HD3 H 1 4.001 0.008 . 2 . . . . 54 Pro HD# . 18474 1
509 . 1 1 54 54 PRO CA C 13 62.735 0.066 . 1 . . . . 54 Pro CA . 18474 1
510 . 1 1 54 54 PRO CB C 13 32.380 0.056 . 1 . . . . 54 Pro CB . 18474 1
511 . 1 1 54 54 PRO CG C 13 27.058 0.000 . 1 . . . . 54 Pro CG . 18474 1
512 . 1 1 55 55 GLY H H 1 8.360 0.005 . 1 . . . . 55 Gly NH . 18474 1
513 . 1 1 55 55 GLY HA2 H 1 4.513 0.005 . 2 . . . . 55 Gly HA# . 18474 1
514 . 1 1 55 55 GLY HA3 H 1 4.513 0.005 . 2 . . . . 55 Gly HA# . 18474 1
515 . 1 1 55 55 GLY CA C 13 44.350 0.031 . 1 . . . . 55 Gly CA . 18474 1
516 . 1 1 55 55 GLY N N 15 107.385 0.028 . 1 . . . . 55 Gly N . 18474 1
517 . 1 1 56 56 THR H H 1 9.069 0.004 . 1 . . . . 56 Thr NH . 18474 1
518 . 1 1 56 56 THR HA H 1 4.234 0.000 . 1 . . . . 56 Thr HA . 18474 1
519 . 1 1 56 56 THR HB H 1 4.283 0.000 . 1 . . . . 56 Thr HB . 18474 1
520 . 1 1 56 56 THR HG21 H 1 1.543 0.007 . 1 . . . . 56 Thr HG2# . 18474 1
521 . 1 1 56 56 THR HG22 H 1 1.543 0.007 . 1 . . . . 56 Thr HG2# . 18474 1
522 . 1 1 56 56 THR HG23 H 1 1.543 0.007 . 1 . . . . 56 Thr HG2# . 18474 1
523 . 1 1 56 56 THR CA C 13 64.038 0.031 . 1 . . . . 56 Thr CA . 18474 1
524 . 1 1 56 56 THR CB C 13 67.984 0.030 . 1 . . . . 56 Thr CB . 18474 1
525 . 1 1 56 56 THR CG2 C 13 23.877 0.000 . 1 . . . . 56 Thr CG2 . 18474 1
526 . 1 1 56 56 THR N N 15 118.660 0.047 . 1 . . . . 56 Thr N . 18474 1
527 . 1 1 57 57 GLN H H 1 8.389 0.436 . 1 . . . . 57 Gln NH . 18474 1
528 . 1 1 57 57 GLN HA H 1 4.367 0.000 . 1 . . . . 57 Gln HA . 18474 1
529 . 1 1 57 57 GLN HB2 H 1 1.853 0.004 . 2 . . . . 57 Gln HB2 . 18474 1
530 . 1 1 57 57 GLN HB3 H 1 2.020 0.002 . 2 . . . . 57 Gln HB3 . 18474 1
531 . 1 1 57 57 GLN HG2 H 1 2.294 0.008 . 2 . . . . 57 Gln HG# . 18474 1
532 . 1 1 57 57 GLN HG3 H 1 2.294 0.008 . 2 . . . . 57 Gln HG# . 18474 1
533 . 1 1 57 57 GLN CA C 13 56.260 0.080 . 1 . . . . 57 Gln CA . 18474 1
534 . 1 1 57 57 GLN CB C 13 31.234 0.124 . 1 . . . . 57 Gln CB . 18474 1
535 . 1 1 57 57 GLN CG C 13 33.766 0.000 . 1 . . . . 57 Gln CG . 18474 1
536 . 1 1 57 57 GLN N N 15 119.785 2.682 . 1 . . . . 57 Gln N . 18474 1
537 . 1 1 58 58 ASN H H 1 9.345 0.005 . 1 . . . . 58 Asn NH . 18474 1
538 . 1 1 58 58 ASN HA H 1 4.379 0.005 . 1 . . . . 58 Asn HA . 18474 1
539 . 1 1 58 58 ASN HB2 H 1 2.406 0.008 . 2 . . . . 58 Asn HB2 . 18474 1
540 . 1 1 58 58 ASN HB3 H 1 2.935 0.009 . 2 . . . . 58 Asn HB3 . 18474 1
541 . 1 1 58 58 ASN CA C 13 54.724 0.037 . 1 . . . . 58 Asn CA . 18474 1
542 . 1 1 58 58 ASN CB C 13 39.657 0.050 . 1 . . . . 58 Asn CB . 18474 1
543 . 1 1 58 58 ASN N N 15 121.771 0.043 . 1 . . . . 58 Asn N . 18474 1
544 . 1 1 59 59 LYS H H 1 8.434 0.005 . 1 . . . . 59 Lys NH . 18474 1
545 . 1 1 59 59 LYS HA H 1 4.258 0.002 . 1 . . . . 59 Lys HA . 18474 1
546 . 1 1 59 59 LYS HB2 H 1 1.558 0.004 . 2 . . . . 59 Lys HB2 . 18474 1
547 . 1 1 59 59 LYS HB3 H 1 1.714 0.005 . 2 . . . . 59 Lys HB3 . 18474 1
548 . 1 1 59 59 LYS HD2 H 1 1.375 0.003 . 2 . . . . 59 Lys HD# . 18474 1
549 . 1 1 59 59 LYS HD3 H 1 1.375 0.003 . 2 . . . . 59 Lys HD# . 18474 1
550 . 1 1 59 59 LYS HE2 H 1 2.936 0.002 . 2 . . . . 59 Lys HE# . 18474 1
551 . 1 1 59 59 LYS HE3 H 1 2.936 0.002 . 2 . . . . 59 Lys HE# . 18474 1
552 . 1 1 59 59 LYS CA C 13 54.907 0.069 . 1 . . . . 59 Lys CA . 18474 1
553 . 1 1 59 59 LYS CB C 13 33.568 0.092 . 1 . . . . 59 Lys CB . 18474 1
554 . 1 1 59 59 LYS CG C 13 24.537 0.000 . 1 . . . . 59 Lys CG . 18474 1
555 . 1 1 59 59 LYS CD C 13 28.901 0.000 . 1 . . . . 59 Lys CD . 18474 1
556 . 1 1 59 59 LYS CE C 13 42.247 0.000 . 1 . . . . 59 Lys CE . 18474 1
557 . 1 1 59 59 LYS N N 15 125.583 0.058 . 1 . . . . 59 Lys N . 18474 1
558 . 1 1 60 60 ALA H H 1 8.594 0.005 . 1 . . . . 60 Ala NH . 18474 1
559 . 1 1 60 60 ALA HA H 1 3.975 0.004 . 1 . . . . 60 Ala HA . 18474 1
560 . 1 1 60 60 ALA HB1 H 1 1.107 0.020 . 1 . . . . 60 Ala HB# . 18474 1
561 . 1 1 60 60 ALA HB2 H 1 1.107 0.020 . 1 . . . . 60 Ala HB# . 18474 1
562 . 1 1 60 60 ALA HB3 H 1 1.107 0.020 . 1 . . . . 60 Ala HB# . 18474 1
563 . 1 1 60 60 ALA CA C 13 53.169 0.074 . 1 . . . . 60 Ala CA . 18474 1
564 . 1 1 60 60 ALA CB C 13 19.547 0.085 . 1 . . . . 60 Ala CB . 18474 1
565 . 1 1 60 60 ALA N N 15 126.455 0.050 . 1 . . . . 60 Ala N . 18474 1
566 . 1 1 61 61 THR H H 1 8.241 0.009 . 1 . . . . 61 Thr NH . 18474 1
567 . 1 1 61 61 THR HA H 1 4.107 0.268 . 1 . . . . 61 Thr HA . 18474 1
568 . 1 1 61 61 THR HB H 1 3.775 0.005 . 1 . . . . 61 Thr HB . 18474 1
569 . 1 1 61 61 THR HG21 H 1 0.965 0.009 . 1 . . . . 61 Thr HG2# . 18474 1
570 . 1 1 61 61 THR HG22 H 1 0.965 0.009 . 1 . . . . 61 Thr HG2# . 18474 1
571 . 1 1 61 61 THR HG23 H 1 0.965 0.009 . 1 . . . . 61 Thr HG2# . 18474 1
572 . 1 1 61 61 THR CA C 13 60.660 0.078 . 1 . . . . 61 Thr CA . 18474 1
573 . 1 1 61 61 THR CB C 13 72.150 0.102 . 1 . . . . 61 Thr CB . 18474 1
574 . 1 1 61 61 THR N N 15 118.389 0.046 . 1 . . . . 61 Thr N . 18474 1
575 . 1 1 62 62 TYR H H 1 8.408 0.005 . 1 . . . . 62 Tyr NH . 18474 1
576 . 1 1 62 62 TYR HA H 1 5.560 0.008 . 1 . . . . 62 Tyr HA . 18474 1
577 . 1 1 62 62 TYR HB2 H 1 2.671 0.005 . 2 . . . . 62 Tyr HB# . 18474 1
578 . 1 1 62 62 TYR HB3 H 1 2.671 0.005 . 2 . . . . 62 Tyr HB# . 18474 1
579 . 1 1 62 62 TYR CA C 13 58.099 0.090 . 1 . . . . 62 Tyr CA . 18474 1
580 . 1 1 62 62 TYR CB C 13 39.819 0.082 . 1 . . . . 62 Tyr CB . 18474 1
581 . 1 1 62 62 TYR N N 15 123.371 0.046 . 1 . . . . 62 Tyr N . 18474 1
582 . 1 1 63 63 LYS H H 1 9.145 0.010 . 1 . . . . 63 Lys NH . 18474 1
583 . 1 1 63 63 LYS HA H 1 4.254 0.000 . 1 . . . . 63 Lys HA . 18474 1
584 . 1 1 63 63 LYS HB2 H 1 1.549 0.005 . 2 . . . . 63 Lys HB# . 18474 1
585 . 1 1 63 63 LYS HB3 H 1 1.549 0.005 . 2 . . . . 63 Lys HB# . 18474 1
586 . 1 1 63 63 LYS HG2 H 1 1.230 0.003 . 2 . . . . 63 Lys HG# . 18474 1
587 . 1 1 63 63 LYS HG3 H 1 1.230 0.003 . 2 . . . . 63 Lys HG# . 18474 1
588 . 1 1 63 63 LYS CA C 13 54.597 0.000 . 1 . . . . 63 Lys CA . 18474 1
589 . 1 1 63 63 LYS CB C 13 36.725 0.026 . 1 . . . . 63 Lys CB . 18474 1
590 . 1 1 63 63 LYS N N 15 121.870 0.037 . 1 . . . . 63 Lys N . 18474 1
591 . 1 1 64 64 ASN H H 1 8.529 0.007 . 1 . . . . 64 Asn NH . 18474 1
592 . 1 1 64 64 ASN HA H 1 5.731 0.004 . 1 . . . . 64 Asn HA . 18474 1
593 . 1 1 64 64 ASN HB2 H 1 2.320 0.011 . 2 . . . . 64 Asn HB2 . 18474 1
594 . 1 1 64 64 ASN HB3 H 1 2.592 0.002 . 2 . . . . 64 Asn HB3 . 18474 1
595 . 1 1 64 64 ASN CA C 13 51.632 0.223 . 1 . . . . 64 Asn CA . 18474 1
596 . 1 1 64 64 ASN CB C 13 40.580 0.108 . 1 . . . . 64 Asn CB . 18474 1
597 . 1 1 64 64 ASN N N 15 120.720 0.082 . 1 . . . . 64 Asn N . 18474 1
598 . 1 1 65 65 VAL H H 1 9.181 0.005 . 1 . . . . 65 Val NH . 18474 1
599 . 1 1 65 65 VAL HA H 1 4.377 0.002 . 1 . . . . 65 Val HA . 18474 1
600 . 1 1 65 65 VAL HB H 1 1.831 0.009 . 1 . . . . 65 Val HB . 18474 1
601 . 1 1 65 65 VAL HG11 H 1 0.735 0.020 . 2 . . . . 65 Val HG# . 18474 1
602 . 1 1 65 65 VAL HG12 H 1 0.735 0.020 . 2 . . . . 65 Val HG# . 18474 1
603 . 1 1 65 65 VAL HG13 H 1 0.735 0.020 . 2 . . . . 65 Val HG# . 18474 1
604 . 1 1 65 65 VAL HG21 H 1 0.735 0.020 . 2 . . . . 65 Val HG# . 18474 1
605 . 1 1 65 65 VAL HG22 H 1 0.735 0.020 . 2 . . . . 65 Val HG# . 18474 1
606 . 1 1 65 65 VAL HG23 H 1 0.735 0.020 . 2 . . . . 65 Val HG# . 18474 1
607 . 1 1 65 65 VAL CA C 13 59.980 0.068 . 1 . . . . 65 Val CA . 18474 1
608 . 1 1 65 65 VAL CB C 13 35.532 0.117 . 1 . . . . 65 Val CB . 18474 1
609 . 1 1 65 65 VAL CG1 C 13 20.730 0.000 . 2 . . . . 65 Val CG# . 18474 1
610 . 1 1 65 65 VAL CG2 C 13 20.730 0.000 . 2 . . . . 65 Val CG# . 18474 1
611 . 1 1 65 65 VAL N N 15 120.698 0.028 . 1 . . . . 65 Val N . 18474 1
612 . 1 1 66 66 ASP H H 1 8.566 0.005 . 1 . . . . 66 Asp NH . 18474 1
613 . 1 1 66 66 ASP HA H 1 4.764 0.003 . 1 . . . . 66 Asp HA . 18474 1
614 . 1 1 66 66 ASP HB2 H 1 2.596 0.009 . 2 . . . . 66 Asp HB# . 18474 1
615 . 1 1 66 66 ASP HB3 H 1 2.596 0.009 . 2 . . . . 66 Asp HB# . 18474 1
616 . 1 1 66 66 ASP CA C 13 55.281 0.118 . 1 . . . . 66 Asp CA . 18474 1
617 . 1 1 66 66 ASP CB C 13 42.979 0.071 . 1 . . . . 66 Asp CB . 18474 1
618 . 1 1 66 66 ASP N N 15 125.732 0.037 . 1 . . . . 66 Asp N . 18474 1
619 . 1 1 67 67 SER H H 1 8.830 0.007 . 1 . . . . 67 Ser NH . 18474 1
620 . 1 1 67 67 SER HA H 1 3.882 0.009 . 1 . . . . 67 Ser HA . 18474 1
621 . 1 1 67 67 SER CA C 13 61.508 0.011 . 1 . . . . 67 Ser CA . 18474 1
622 . 1 1 67 67 SER CB C 13 62.834 0.000 . 1 . . . . 67 Ser CB . 18474 1
623 . 1 1 67 67 SER N N 15 119.813 0.027 . 1 . . . . 67 Ser N . 18474 1
624 . 1 1 68 68 HIS H H 1 8.688 0.006 . 1 . . . . 68 His NH . 18474 1
625 . 1 1 68 68 HIS HA H 1 4.873 0.001 . 1 . . . . 68 His HA . 18474 1
626 . 1 1 68 68 HIS HB2 H 1 3.125 0.008 . 2 . . . . 68 His HB2 . 18474 1
627 . 1 1 68 68 HIS HB3 H 1 3.447 0.006 . 2 . . . . 68 His HB3 . 18474 1
628 . 1 1 68 68 HIS CA C 13 55.725 0.085 . 1 . . . . 68 His CA . 18474 1
629 . 1 1 68 68 HIS CB C 13 28.858 0.077 . 1 . . . . 68 His CB . 18474 1
630 . 1 1 68 68 HIS N N 15 118.892 0.054 . 1 . . . . 68 His N . 18474 1
631 . 1 1 69 69 SER H H 1 7.761 0.005 . 1 . . . . 69 Ser NH . 18474 1
632 . 1 1 69 69 SER HA H 1 4.439 0.009 . 1 . . . . 69 Ser HA . 18474 1
633 . 1 1 69 69 SER HB2 H 1 3.933 0.008 . 2 . . . . 69 Ser HB2 . 18474 1
634 . 1 1 69 69 SER HB3 H 1 4.144 0.012 . 2 . . . . 69 Ser HB3 . 18474 1
635 . 1 1 69 69 SER CA C 13 58.331 0.139 . 1 . . . . 69 Ser CA . 18474 1
636 . 1 1 69 69 SER CB C 13 64.599 0.000 . 1 . . . . 69 Ser CB . 18474 1
637 . 1 1 69 69 SER N N 15 114.836 0.077 . 1 . . . . 69 Ser N . 18474 1
638 . 1 1 70 70 SER H H 1 8.870 0.006 . 1 . . . . 70 Ser NH . 18474 1
639 . 1 1 70 70 SER HA H 1 4.556 0.013 . 1 . . . . 70 Ser HA . 18474 1
640 . 1 1 70 70 SER HB2 H 1 4.095 0.003 . 2 . . . . 70 Ser HB# . 18474 1
641 . 1 1 70 70 SER HB3 H 1 4.095 0.003 . 2 . . . . 70 Ser HB# . 18474 1
642 . 1 1 70 70 SER CA C 13 59.258 0.089 . 1 . . . . 70 Ser CA . 18474 1
643 . 1 1 70 70 SER CB C 13 63.300 0.095 . 1 . . . . 70 Ser CB . 18474 1
644 . 1 1 70 70 SER N N 15 121.153 0.047 . 1 . . . . 70 Ser N . 18474 1
645 . 1 1 71 71 ALA H H 1 8.634 0.005 . 1 . . . . 71 Ala NH . 18474 1
646 . 1 1 71 71 ALA HA H 1 4.200 0.012 . 1 . . . . 71 Ala HA . 18474 1
647 . 1 1 71 71 ALA HB1 H 1 1.373 0.009 . 1 . . . . 71 Ala HB# . 18474 1
648 . 1 1 71 71 ALA HB2 H 1 1.373 0.009 . 1 . . . . 71 Ala HB# . 18474 1
649 . 1 1 71 71 ALA HB3 H 1 1.373 0.009 . 1 . . . . 71 Ala HB# . 18474 1
650 . 1 1 71 71 ALA CA C 13 52.691 0.097 . 1 . . . . 71 Ala CA . 18474 1
651 . 1 1 71 71 ALA CB C 13 19.379 0.755 . 1 . . . . 71 Ala CB . 18474 1
652 . 1 1 71 71 ALA N N 15 122.954 0.052 . 1 . . . . 71 Ala N . 18474 1
653 . 1 1 72 72 ILE H H 1 7.353 0.011 . 1 . . . . 72 Ile NH . 18474 1
654 . 1 1 72 72 ILE HA H 1 5.739 0.010 . 1 . . . . 72 Ile HA . 18474 1
655 . 1 1 72 72 ILE HB H 1 1.407 0.015 . 1 . . . . 72 Ile HB . 18474 1
656 . 1 1 72 72 ILE HG21 H 1 0.756 0.011 . 1 . . . . 72 Ile HG2# . 18474 1
657 . 1 1 72 72 ILE HG22 H 1 0.756 0.011 . 1 . . . . 72 Ile HG2# . 18474 1
658 . 1 1 72 72 ILE HG23 H 1 0.756 0.011 . 1 . . . . 72 Ile HG2# . 18474 1
659 . 1 1 72 72 ILE CA C 13 58.572 0.099 . 1 . . . . 72 Ile CA . 18474 1
660 . 1 1 72 72 ILE CB C 13 41.817 0.107 . 1 . . . . 72 Ile CB . 18474 1
661 . 1 1 72 72 ILE CD1 C 13 14.987 0.000 . 1 . . . . 72 Ile CD1 . 18474 1
662 . 1 1 72 72 ILE N N 15 114.154 0.019 . 1 . . . . 72 Ile N . 18474 1
663 . 1 1 73 73 THR H H 1 8.634 0.005 . 1 . . . . 73 Thr NH . 18474 1
664 . 1 1 73 73 THR HG21 H 1 1.083 0.011 . 1 . . . . 73 Thr HG2# . 18474 1
665 . 1 1 73 73 THR HG22 H 1 1.083 0.011 . 1 . . . . 73 Thr HG2# . 18474 1
666 . 1 1 73 73 THR HG23 H 1 1.083 0.011 . 1 . . . . 73 Thr HG2# . 18474 1
667 . 1 1 73 73 THR CA C 13 59.550 0.075 . 1 . . . . 73 Thr CA . 18474 1
668 . 1 1 73 73 THR CB C 13 70.979 0.318 . 1 . . . . 73 Thr CB . 18474 1
669 . 1 1 73 73 THR N N 15 116.187 0.049 . 1 . . . . 73 Thr N . 18474 1
670 . 1 1 74 74 PHE H H 1 8.560 0.006 . 1 . . . . 74 Phe NH . 18474 1
671 . 1 1 74 74 PHE HA H 1 4.663 0.011 . 1 . . . . 74 Phe HA . 18474 1
672 . 1 1 74 74 PHE HB2 H 1 2.937 0.011 . 2 . . . . 74 Phe HB2 . 18474 1
673 . 1 1 74 74 PHE HB3 H 1 3.532 0.000 . 2 . . . . 74 Phe HB3 . 18474 1
674 . 1 1 74 74 PHE CA C 13 61.530 0.127 . 1 . . . . 74 Phe CA . 18474 1
675 . 1 1 74 74 PHE CB C 13 39.080 0.009 . 1 . . . . 74 Phe CB . 18474 1
676 . 1 1 74 74 PHE N N 15 121.390 0.147 . 1 . . . . 74 Phe N . 18474 1
677 . 1 1 75 75 PHE H H 1 8.188 0.007 . 1 . . . . 75 Phe NH . 18474 1
678 . 1 1 75 75 PHE HA H 1 4.582 0.002 . 1 . . . . 75 Phe HA . 18474 1
679 . 1 1 75 75 PHE HB2 H 1 3.005 0.001 . 2 . . . . 75 Phe HB# . 18474 1
680 . 1 1 75 75 PHE HB3 H 1 3.005 0.001 . 2 . . . . 75 Phe HB# . 18474 1
681 . 1 1 75 75 PHE CA C 13 58.154 0.356 . 1 . . . . 75 Phe CA . 18474 1
682 . 1 1 75 75 PHE CB C 13 39.295 0.072 . 1 . . . . 75 Phe CB . 18474 1
683 . 1 1 75 75 PHE N N 15 122.247 0.050 . 1 . . . . 75 Phe N . 18474 1
684 . 1 1 76 76 GLU H H 1 8.337 0.003 . 1 . . . . 76 Glu NH . 18474 1
685 . 1 1 76 76 GLU CA C 13 53.843 0.000 . 1 . . . . 76 Glu CA . 18474 1
686 . 1 1 76 76 GLU N N 15 126.006 0.078 . 1 . . . . 76 Glu N . 18474 1
687 . 1 1 77 77 PRO HA H 1 3.892 0.002 . 1 . . . . 77 Pro HA . 18474 1
688 . 1 1 77 77 PRO HB2 H 1 1.883 0.001 . 2 . . . . 77 Pro HB# . 18474 1
689 . 1 1 77 77 PRO HB3 H 1 1.883 0.001 . 2 . . . . 77 Pro HB# . 18474 1
690 . 1 1 77 77 PRO HD2 H 1 2.973 0.009 . 2 . . . . 77 Pro HD# . 18474 1
691 . 1 1 77 77 PRO HD3 H 1 2.973 0.009 . 2 . . . . 77 Pro HD# . 18474 1
692 . 1 1 77 77 PRO CA C 13 64.062 0.147 . 1 . . . . 77 Pro CA . 18474 1
693 . 1 1 77 77 PRO CB C 13 31.928 0.029 . 1 . . . . 77 Pro CB . 18474 1
694 . 1 1 77 77 PRO CG C 13 27.058 0.000 . 1 . . . . 77 Pro CG . 18474 1
695 . 1 1 78 78 SER H H 1 8.115 0.005 . 1 . . . . 78 Ser NH . 18474 1
696 . 1 1 78 78 SER HA H 1 4.386 0.000 . 1 . . . . 78 Ser HA . 18474 1
697 . 1 1 78 78 SER HB2 H 1 3.783 0.008 . 2 . . . . 78 Ser HB# . 18474 1
698 . 1 1 78 78 SER HB3 H 1 3.783 0.008 . 2 . . . . 78 Ser HB# . 18474 1
699 . 1 1 78 78 SER CA C 13 57.914 0.062 . 1 . . . . 78 Ser CA . 18474 1
700 . 1 1 78 78 SER CB C 13 63.141 0.000 . 1 . . . . 78 Ser CB . 18474 1
701 . 1 1 78 78 SER N N 15 113.040 0.033 . 1 . . . . 78 Ser N . 18474 1
702 . 1 1 79 79 SER H H 1 7.727 0.008 . 1 . . . . 79 Ser NH . 18474 1
703 . 1 1 79 79 SER HA H 1 4.183 0.015 . 1 . . . . 79 Ser HA . 18474 1
704 . 1 1 79 79 SER HB2 H 1 3.564 0.008 . 2 . . . . 79 Ser HB# . 18474 1
705 . 1 1 79 79 SER HB3 H 1 3.564 0.008 . 2 . . . . 79 Ser HB# . 18474 1
706 . 1 1 79 79 SER CA C 13 58.050 0.098 . 1 . . . . 79 Ser CA . 18474 1
707 . 1 1 79 79 SER CB C 13 64.348 0.000 . 1 . . . . 79 Ser CB . 18474 1
708 . 1 1 79 79 SER N N 15 116.072 0.073 . 1 . . . . 79 Ser N . 18474 1
709 . 1 1 80 80 GLU H H 1 8.940 0.006 . 1 . . . . 80 Glu NH . 18474 1
710 . 1 1 80 80 GLU HA H 1 4.047 0.007 . 1 . . . . 80 Glu HA . 18474 1
711 . 1 1 80 80 GLU HB2 H 1 1.903 0.002 . 2 . . . . 80 Glu HB# . 18474 1
712 . 1 1 80 80 GLU HB3 H 1 1.903 0.002 . 2 . . . . 80 Glu HB# . 18474 1
713 . 1 1 80 80 GLU HG2 H 1 2.142 0.000 . 2 . . . . 80 Glu HG# . 18474 1
714 . 1 1 80 80 GLU HG3 H 1 2.142 0.000 . 2 . . . . 80 Glu HG# . 18474 1
715 . 1 1 80 80 GLU CA C 13 58.745 0.089 . 1 . . . . 80 Glu CA . 18474 1
716 . 1 1 80 80 GLU CB C 13 28.498 0.163 . 1 . . . . 80 Glu CB . 18474 1
717 . 1 1 80 80 GLU CG C 13 35.924 0.000 . 1 . . . . 80 Glu CG . 18474 1
718 . 1 1 80 80 GLU N N 15 125.818 0.046 . 1 . . . . 80 Glu N . 18474 1
719 . 1 1 81 81 LYS H H 1 7.616 0.006 . 1 . . . . 81 Lys NH . 18474 1
720 . 1 1 81 81 LYS HA H 1 3.518 0.004 . 1 . . . . 81 Lys HA . 18474 1
721 . 1 1 81 81 LYS CA C 13 58.028 0.124 . 1 . . . . 81 Lys CA . 18474 1
722 . 1 1 81 81 LYS CB C 13 31.606 0.054 . 1 . . . . 81 Lys CB . 18474 1
723 . 1 1 81 81 LYS CG C 13 24.951 0.000 . 1 . . . . 81 Lys CG . 18474 1
724 . 1 1 81 81 LYS N N 15 119.157 0.024 . 1 . . . . 81 Lys N . 18474 1
725 . 1 1 82 82 ALA H H 1 7.362 0.005 . 1 . . . . 82 Ala NH . 18474 1
726 . 1 1 82 82 ALA HA H 1 4.333 0.003 . 1 . . . . 82 Ala HA . 18474 1
727 . 1 1 82 82 ALA HB1 H 1 1.486 0.006 . 1 . . . . 82 Ala HB# . 18474 1
728 . 1 1 82 82 ALA HB2 H 1 1.486 0.006 . 1 . . . . 82 Ala HB# . 18474 1
729 . 1 1 82 82 ALA HB3 H 1 1.486 0.006 . 1 . . . . 82 Ala HB# . 18474 1
730 . 1 1 82 82 ALA CA C 13 51.432 0.098 . 1 . . . . 82 Ala CA . 18474 1
731 . 1 1 82 82 ALA CB C 13 19.677 0.118 . 1 . . . . 82 Ala CB . 18474 1
732 . 1 1 82 82 ALA N N 15 117.156 0.025 . 1 . . . . 82 Ala N . 18474 1
733 . 1 1 83 83 VAL H H 1 7.146 0.007 . 1 . . . . 83 Val NH . 18474 1
734 . 1 1 83 83 VAL HA H 1 3.867 0.004 . 1 . . . . 83 Val HA . 18474 1
735 . 1 1 83 83 VAL HB H 1 2.091 0.007 . 1 . . . . 83 Val HB . 18474 1
736 . 1 1 83 83 VAL HG11 H 1 0.862 0.011 . 2 . . . . 83 Val HG# . 18474 1
737 . 1 1 83 83 VAL HG12 H 1 0.862 0.011 . 2 . . . . 83 Val HG# . 18474 1
738 . 1 1 83 83 VAL HG13 H 1 0.862 0.011 . 2 . . . . 83 Val HG# . 18474 1
739 . 1 1 83 83 VAL HG21 H 1 0.862 0.011 . 2 . . . . 83 Val HG# . 18474 1
740 . 1 1 83 83 VAL HG22 H 1 0.862 0.011 . 2 . . . . 83 Val HG# . 18474 1
741 . 1 1 83 83 VAL HG23 H 1 0.862 0.011 . 2 . . . . 83 Val HG# . 18474 1
742 . 1 1 83 83 VAL CA C 13 63.517 0.048 . 1 . . . . 83 Val CA . 18474 1
743 . 1 1 83 83 VAL CB C 13 30.717 0.023 . 1 . . . . 83 Val CB . 18474 1
744 . 1 1 83 83 VAL CG1 C 13 21.043 0.000 . 2 . . . . 83 Val CG# . 18474 1
745 . 1 1 83 83 VAL CG2 C 13 21.043 0.000 . 2 . . . . 83 Val CG# . 18474 1
746 . 1 1 83 83 VAL N N 15 119.960 0.043 . 1 . . . . 83 Val N . 18474 1
747 . 1 1 84 84 THR H H 1 7.749 0.004 . 1 . . . . 84 Thr NH . 18474 1
748 . 1 1 84 84 THR HA H 1 4.464 0.008 . 1 . . . . 84 Thr HA . 18474 1
749 . 1 1 84 84 THR HB H 1 4.243 0.006 . 1 . . . . 84 Thr HB . 18474 1
750 . 1 1 84 84 THR HG21 H 1 1.006 0.005 . 1 . . . . 84 Thr HG2# . 18474 1
751 . 1 1 84 84 THR HG22 H 1 1.006 0.005 . 1 . . . . 84 Thr HG2# . 18474 1
752 . 1 1 84 84 THR HG23 H 1 1.006 0.005 . 1 . . . . 84 Thr HG2# . 18474 1
753 . 1 1 84 84 THR CA C 13 60.540 0.101 . 1 . . . . 84 Thr CA . 18474 1
754 . 1 1 84 84 THR CB C 13 68.317 0.032 . 1 . . . . 84 Thr CB . 18474 1
755 . 1 1 84 84 THR CG2 C 13 19.395 0.000 . 1 . . . . 84 Thr CG2 . 18474 1
756 . 1 1 84 84 THR N N 15 119.984 0.020 . 1 . . . . 84 Thr N . 18474 1
757 . 1 1 85 85 ALA H H 1 8.205 0.005 . 1 . . . . 85 Ala NH . 18474 1
758 . 1 1 85 85 ALA HA H 1 4.525 0.004 . 1 . . . . 85 Ala HA . 18474 1
759 . 1 1 85 85 ALA HB1 H 1 1.371 0.010 . 1 . . . . 85 Ala HB# . 18474 1
760 . 1 1 85 85 ALA HB2 H 1 1.371 0.010 . 1 . . . . 85 Ala HB# . 18474 1
761 . 1 1 85 85 ALA HB3 H 1 1.371 0.010 . 1 . . . . 85 Ala HB# . 18474 1
762 . 1 1 85 85 ALA CA C 13 51.605 0.136 . 1 . . . . 85 Ala CA . 18474 1
763 . 1 1 85 85 ALA CB C 13 19.750 0.130 . 1 . . . . 85 Ala CB . 18474 1
764 . 1 1 85 85 ALA N N 15 126.416 0.052 . 1 . . . . 85 Ala N . 18474 1
765 . 1 1 86 86 ASN H H 1 8.633 0.006 . 1 . . . . 86 Asn NH . 18474 1
766 . 1 1 86 86 ASN HA H 1 4.613 0.005 . 1 . . . . 86 Asn HA . 18474 1
767 . 1 1 86 86 ASN HB2 H 1 2.979 0.022 . 2 . . . . 86 Asn HB2 . 18474 1
768 . 1 1 86 86 ASN HB3 H 1 3.188 0.007 . 2 . . . . 86 Asn HB3 . 18474 1
769 . 1 1 86 86 ASN CA C 13 52.888 0.110 . 1 . . . . 86 Asn CA . 18474 1
770 . 1 1 86 86 ASN CB C 13 38.570 0.130 . 1 . . . . 86 Asn CB . 18474 1
771 . 1 1 86 86 ASN N N 15 121.381 0.043 . 1 . . . . 86 Asn N . 18474 1
772 . 1 1 87 87 GLU H H 1 9.029 0.005 . 1 . . . . 87 Glu NH . 18474 1
773 . 1 1 87 87 GLU HA H 1 3.921 0.010 . 1 . . . . 87 Glu HA . 18474 1
774 . 1 1 87 87 GLU HB2 H 1 2.079 0.012 . 2 . . . . 87 Glu HB# . 18474 1
775 . 1 1 87 87 GLU HB3 H 1 2.079 0.012 . 2 . . . . 87 Glu HB# . 18474 1
776 . 1 1 87 87 GLU HG2 H 1 2.377 0.007 . 2 . . . . 87 Glu HG# . 18474 1
777 . 1 1 87 87 GLU HG3 H 1 2.377 0.007 . 2 . . . . 87 Glu HG# . 18474 1
778 . 1 1 87 87 GLU CA C 13 59.750 0.133 . 1 . . . . 87 Glu CA . 18474 1
779 . 1 1 87 87 GLU CB C 13 29.588 0.079 . 1 . . . . 87 Glu CB . 18474 1
780 . 1 1 87 87 GLU CG C 13 36.013 0.000 . 1 . . . . 87 Glu CG . 18474 1
781 . 1 1 87 87 GLU N N 15 125.308 0.033 . 1 . . . . 87 Glu N . 18474 1
782 . 1 1 88 88 ASP H H 1 7.852 0.004 . 1 . . . . 88 Asp NH . 18474 1
783 . 1 1 88 88 ASP HA H 1 4.907 0.006 . 1 . . . . 88 Asp HA . 18474 1
784 . 1 1 88 88 ASP HB2 H 1 2.894 0.006 . 2 . . . . 88 Asp HB2 . 18474 1
785 . 1 1 88 88 ASP HB3 H 1 3.305 0.011 . 2 . . . . 88 Asp HB3 . 18474 1
786 . 1 1 88 88 ASP CA C 13 57.517 0.090 . 1 . . . . 88 Asp CA . 18474 1
787 . 1 1 88 88 ASP CB C 13 42.463 0.062 . 1 . . . . 88 Asp CB . 18474 1
788 . 1 1 88 88 ASP N N 15 121.436 0.028 . 1 . . . . 88 Asp N . 18474 1
789 . 1 1 89 89 LEU H H 1 7.179 0.006 . 1 . . . . 89 Leu NH . 18474 1
790 . 1 1 89 89 LEU HA H 1 3.374 0.009 . 1 . . . . 89 Leu HA . 18474 1
791 . 1 1 89 89 LEU HB2 H 1 1.471 0.015 . 2 . . . . 89 Leu HB2 . 18474 1
792 . 1 1 89 89 LEU HB3 H 1 1.787 0.014 . 2 . . . . 89 Leu HB3 . 18474 1
793 . 1 1 89 89 LEU HD11 H 1 0.599 0.016 . 2 . . . . 89 Leu HD# . 18474 1
794 . 1 1 89 89 LEU HD12 H 1 0.599 0.016 . 2 . . . . 89 Leu HD# . 18474 1
795 . 1 1 89 89 LEU HD13 H 1 0.599 0.016 . 2 . . . . 89 Leu HD# . 18474 1
796 . 1 1 89 89 LEU HD21 H 1 0.599 0.016 . 2 . . . . 89 Leu HD# . 18474 1
797 . 1 1 89 89 LEU HD22 H 1 0.599 0.016 . 2 . . . . 89 Leu HD# . 18474 1
798 . 1 1 89 89 LEU HD23 H 1 0.599 0.016 . 2 . . . . 89 Leu HD# . 18474 1
799 . 1 1 89 89 LEU CA C 13 56.994 0.062 . 1 . . . . 89 Leu CA . 18474 1
800 . 1 1 89 89 LEU CB C 13 40.636 0.123 . 1 . . . . 89 Leu CB . 18474 1
801 . 1 1 89 89 LEU CG C 13 25.790 0.000 . 1 . . . . 89 Leu CG . 18474 1
802 . 1 1 89 89 LEU N N 15 119.110 0.031 . 1 . . . . 89 Leu N . 18474 1
803 . 1 1 90 90 LEU H H 1 8.780 0.006 . 1 . . . . 90 Leu NH . 18474 1
804 . 1 1 90 90 LEU HA H 1 3.844 0.006 . 1 . . . . 90 Leu HA . 18474 1
805 . 1 1 90 90 LEU HB2 H 1 1.371 0.005 . 2 . . . . 90 Leu HB2 . 18474 1
806 . 1 1 90 90 LEU HB3 H 1 1.750 0.006 . 2 . . . . 90 Leu HB3 . 18474 1
807 . 1 1 90 90 LEU HG H 1 1.570 0.003 . 1 . . . . 90 Leu HG . 18474 1
808 . 1 1 90 90 LEU HD11 H 1 0.797 0.016 . 2 . . . . 90 Leu HD# . 18474 1
809 . 1 1 90 90 LEU HD12 H 1 0.797 0.016 . 2 . . . . 90 Leu HD# . 18474 1
810 . 1 1 90 90 LEU HD13 H 1 0.797 0.016 . 2 . . . . 90 Leu HD# . 18474 1
811 . 1 1 90 90 LEU HD21 H 1 0.797 0.016 . 2 . . . . 90 Leu HD# . 18474 1
812 . 1 1 90 90 LEU HD22 H 1 0.797 0.016 . 2 . . . . 90 Leu HD# . 18474 1
813 . 1 1 90 90 LEU HD23 H 1 0.797 0.016 . 2 . . . . 90 Leu HD# . 18474 1
814 . 1 1 90 90 LEU CA C 13 58.514 0.204 . 1 . . . . 90 Leu CA . 18474 1
815 . 1 1 90 90 LEU CB C 13 41.560 0.062 . 1 . . . . 90 Leu CB . 18474 1
816 . 1 1 90 90 LEU CG C 13 24.284 0.000 . 1 . . . . 90 Leu CG . 18474 1
817 . 1 1 90 90 LEU N N 15 118.703 0.045 . 1 . . . . 90 Leu N . 18474 1
818 . 1 1 91 91 GLN H H 1 7.792 0.005 . 1 . . . . 91 Gln NH . 18474 1
819 . 1 1 91 91 GLN HA H 1 4.014 0.009 . 1 . . . . 91 Gln HA . 18474 1
820 . 1 1 91 91 GLN HB2 H 1 2.214 0.012 . 2 . . . . 91 Gln HB# . 18474 1
821 . 1 1 91 91 GLN HB3 H 1 2.214 0.012 . 2 . . . . 91 Gln HB# . 18474 1
822 . 1 1 91 91 GLN CA C 13 57.961 0.089 . 1 . . . . 91 Gln CA . 18474 1
823 . 1 1 91 91 GLN CB C 13 28.733 0.037 . 1 . . . . 91 Gln CB . 18474 1
824 . 1 1 91 91 GLN CG C 13 33.045 0.000 . 1 . . . . 91 Gln CG . 18474 1
825 . 1 1 91 91 GLN N N 15 118.349 0.028 . 1 . . . . 91 Gln N . 18474 1
826 . 1 1 92 92 ALA H H 1 7.684 0.004 . 1 . . . . 92 Ala NH . 18474 1
827 . 1 1 92 92 ALA HA H 1 4.304 0.007 . 1 . . . . 92 Ala HA . 18474 1
828 . 1 1 92 92 ALA HB1 H 1 1.040 0.020 . 1 . . . . 92 Ala HB . 18474 1
829 . 1 1 92 92 ALA HB2 H 1 1.040 0.020 . 1 . . . . 92 Ala HB . 18474 1
830 . 1 1 92 92 ALA HB3 H 1 1.040 0.020 . 1 . . . . 92 Ala HB . 18474 1
831 . 1 1 92 92 ALA CA C 13 55.668 0.105 . 1 . . . . 92 Ala CA . 18474 1
832 . 1 1 92 92 ALA CB C 13 18.947 0.072 . 1 . . . . 92 Ala CB . 18474 1
833 . 1 1 92 92 ALA N N 15 124.783 0.031 . 1 . . . . 92 Ala N . 18474 1
834 . 1 1 93 93 ILE H H 1 8.430 0.005 . 1 . . . . 93 Ile NH . 18474 1
835 . 1 1 93 93 ILE HA H 1 3.055 0.005 . 1 . . . . 93 Ile HA . 18474 1
836 . 1 1 93 93 ILE HB H 1 1.837 0.019 . 1 . . . . 93 Ile HB . 18474 1
837 . 1 1 93 93 ILE HG21 H 1 0.895 0.088 . 1 . . . . 93 Ile HG2# . 18474 1
838 . 1 1 93 93 ILE HG22 H 1 0.895 0.088 . 1 . . . . 93 Ile HG2# . 18474 1
839 . 1 1 93 93 ILE HG23 H 1 0.895 0.088 . 1 . . . . 93 Ile HG2# . 18474 1
840 . 1 1 93 93 ILE CA C 13 66.218 0.063 . 1 . . . . 93 Ile CA . 18474 1
841 . 1 1 93 93 ILE CB C 13 38.268 0.219 . 1 . . . . 93 Ile CB . 18474 1
842 . 1 1 93 93 ILE CG2 C 13 17.401 0.000 . 1 . . . . 93 Ile CG2 . 18474 1
843 . 1 1 93 93 ILE N N 15 118.416 0.071 . 1 . . . . 93 Ile N . 18474 1
844 . 1 1 94 94 ARG H H 1 7.850 0.007 . 1 . . . . 94 Arg NH . 18474 1
845 . 1 1 94 94 ARG HA H 1 3.996 0.007 . 1 . . . . 94 Arg HA . 18474 1
846 . 1 1 94 94 ARG HB2 H 1 1.766 0.018 . 2 . . . . 94 Arg HB# . 18474 1
847 . 1 1 94 94 ARG HB3 H 1 1.766 0.018 . 2 . . . . 94 Arg HB# . 18474 1
848 . 1 1 94 94 ARG HG2 H 1 1.493 0.010 . 2 . . . . 94 Arg HG# . 18474 1
849 . 1 1 94 94 ARG HG3 H 1 1.493 0.010 . 2 . . . . 94 Arg HG# . 18474 1
850 . 1 1 94 94 ARG HD2 H 1 3.095 0.000 . 2 . . . . 94 Arg HD# . 18474 1
851 . 1 1 94 94 ARG HD3 H 1 3.095 0.000 . 2 . . . . 94 Arg HD# . 18474 1
852 . 1 1 94 94 ARG CA C 13 59.526 0.180 . 1 . . . . 94 Arg CA . 18474 1
853 . 1 1 94 94 ARG CB C 13 29.377 0.044 . 1 . . . . 94 Arg CB . 18474 1
854 . 1 1 94 94 ARG CG C 13 27.284 0.000 . 1 . . . . 94 Arg CG . 18474 1
855 . 1 1 94 94 ARG CD C 13 43.509 0.000 . 1 . . . . 94 Arg CD . 18474 1
856 . 1 1 94 94 ARG N N 15 120.351 0.045 . 1 . . . . 94 Arg N . 18474 1
857 . 1 1 95 95 ASN H H 1 8.297 0.006 . 1 . . . . 95 Asn NH . 18474 1
858 . 1 1 95 95 ASN HA H 1 4.221 0.006 . 1 . . . . 95 Asn HA . 18474 1
859 . 1 1 95 95 ASN HB2 H 1 2.867 0.003 . 2 . . . . 95 Asn HB# . 18474 1
860 . 1 1 95 95 ASN HB3 H 1 2.867 0.003 . 2 . . . . 95 Asn HB# . 18474 1
861 . 1 1 95 95 ASN CA C 13 55.506 0.093 . 1 . . . . 95 Asn CA . 18474 1
862 . 1 1 95 95 ASN CB C 13 37.457 0.064 . 1 . . . . 95 Asn CB . 18474 1
863 . 1 1 95 95 ASN N N 15 116.960 0.042 . 1 . . . . 95 Asn N . 18474 1
864 . 1 1 96 96 ALA H H 1 7.624 0.006 . 1 . . . . 96 Ala NH . 18474 1
865 . 1 1 96 96 ALA HA H 1 2.573 0.005 . 1 . . . . 96 Ala HA . 18474 1
866 . 1 1 96 96 ALA HB1 H 1 0.096 0.000 . 1 . . . . 96 Ala HB# . 18474 1
867 . 1 1 96 96 ALA HB2 H 1 0.096 0.000 . 1 . . . . 96 Ala HB# . 18474 1
868 . 1 1 96 96 ALA HB3 H 1 0.096 0.000 . 1 . . . . 96 Ala HB# . 18474 1
869 . 1 1 96 96 ALA CA C 13 54.278 0.159 . 1 . . . . 96 Ala CA . 18474 1
870 . 1 1 96 96 ALA CB C 13 18.805 0.084 . 1 . . . . 96 Ala CB . 18474 1
871 . 1 1 96 96 ALA N N 15 123.696 0.036 . 1 . . . . 96 Ala N . 18474 1
872 . 1 1 97 97 GLU H H 1 8.374 0.009 . 1 . . . . 97 Glu NH . 18474 1
873 . 1 1 97 97 GLU HA H 1 3.669 0.010 . 1 . . . . 97 Glu HA . 18474 1
874 . 1 1 97 97 GLU HB2 H 1 1.978 0.000 . 2 . . . . 97 Glu HB2 . 18474 1
875 . 1 1 97 97 GLU HB3 H 1 2.147 0.029 . 2 . . . . 97 Glu HB3 . 18474 1
876 . 1 1 97 97 GLU HG2 H 1 2.545 0.014 . 2 . . . . 97 Glu HG# . 18474 1
877 . 1 1 97 97 GLU HG3 H 1 2.545 0.014 . 2 . . . . 97 Glu HG# . 18474 1
878 . 1 1 97 97 GLU CA C 13 59.814 0.160 . 1 . . . . 97 Glu CA . 18474 1
879 . 1 1 97 97 GLU CB C 13 30.303 0.000 . 1 . . . . 97 Glu CB . 18474 1
880 . 1 1 97 97 GLU CG C 13 37.572 0.000 . 1 . . . . 97 Glu CG . 18474 1
881 . 1 1 97 97 GLU N N 15 117.739 0.053 . 1 . . . . 97 Glu N . 18474 1
882 . 1 1 98 98 GLU H H 1 7.769 0.006 . 1 . . . . 98 Glu NH . 18474 1
883 . 1 1 98 98 GLU HA H 1 4.060 0.001 . 1 . . . . 98 Glu HA . 18474 1
884 . 1 1 98 98 GLU HB2 H 1 1.843 0.014 . 2 . . . . 98 Glu HB2 . 18474 1
885 . 1 1 98 98 GLU HB3 H 1 2.111 0.000 . 2 . . . . 98 Glu HB3 . 18474 1
886 . 1 1 98 98 GLU HG2 H 1 2.187 0.009 . 2 . . . . 98 Glu HG2 . 18474 1
887 . 1 1 98 98 GLU HG3 H 1 2.407 0.006 . 2 . . . . 98 Glu HG3 . 18474 1
888 . 1 1 98 98 GLU CA C 13 56.194 0.097 . 1 . . . . 98 Glu CA . 18474 1
889 . 1 1 98 98 GLU CB C 13 29.960 0.054 . 1 . . . . 98 Glu CB . 18474 1
890 . 1 1 98 98 GLU CG C 13 36.449 0.000 . 1 . . . . 98 Glu CG . 18474 1
891 . 1 1 98 98 GLU N N 15 115.429 0.082 . 1 . . . . 98 Glu N . 18474 1
892 . 1 1 99 99 ASP H H 1 6.753 0.006 . 1 . . . . 99 Asp NH . 18474 1
893 . 1 1 99 99 ASP HA H 1 4.434 0.003 . 1 . . . . 99 Asp HA . 18474 1
894 . 1 1 99 99 ASP HB2 H 1 2.876 0.008 . 2 . . . . 99 Asp HB# . 18474 1
895 . 1 1 99 99 ASP HB3 H 1 2.876 0.008 . 2 . . . . 99 Asp HB# . 18474 1
896 . 1 1 99 99 ASP CA C 13 54.269 0.098 . 1 . . . . 99 Asp CA . 18474 1
897 . 1 1 99 99 ASP CB C 13 39.720 0.184 . 1 . . . . 99 Asp CB . 18474 1
898 . 1 1 99 99 ASP N N 15 118.244 0.028 . 1 . . . . 99 Asp N . 18474 1
899 . 1 1 100 100 LYS H H 1 8.982 0.005 . 1 . . . . 100 Lys NH . 18474 1
900 . 1 1 100 100 LYS HA H 1 4.191 0.006 . 1 . . . . 100 Lys HA . 18474 1
901 . 1 1 100 100 LYS HB2 H 1 1.796 0.000 . 2 . . . . 100 Lys HB# . 18474 1
902 . 1 1 100 100 LYS HB3 H 1 1.796 0.000 . 2 . . . . 100 Lys HB# . 18474 1
903 . 1 1 100 100 LYS HG2 H 1 1.564 0.005 . 2 . . . . 100 Lys HG# . 18474 1
904 . 1 1 100 100 LYS HG3 H 1 1.564 0.005 . 2 . . . . 100 Lys HG# . 18474 1
905 . 1 1 100 100 LYS HD2 H 1 1.624 0.000 . 2 . . . . 100 Lys HD# . 18474 1
906 . 1 1 100 100 LYS HD3 H 1 1.624 0.000 . 2 . . . . 100 Lys HD# . 18474 1
907 . 1 1 100 100 LYS HE2 H 1 3.004 0.000 . 2 . . . . 100 Lys HE# . 18474 1
908 . 1 1 100 100 LYS HE3 H 1 3.004 0.000 . 2 . . . . 100 Lys HE# . 18474 1
909 . 1 1 100 100 LYS CA C 13 57.368 0.001 . 1 . . . . 100 Lys CA . 18474 1
910 . 1 1 100 100 LYS CB C 13 32.236 0.082 . 1 . . . . 100 Lys CB . 18474 1
911 . 1 1 100 100 LYS CG C 13 24.937 0.000 . 1 . . . . 100 Lys CG . 18474 1
912 . 1 1 100 100 LYS CE C 13 41.980 0.000 . 1 . . . . 100 Lys CE . 18474 1
913 . 1 1 100 100 LYS N N 15 129.789 0.045 . 1 . . . . 100 Lys N . 18474 1
914 . 1 1 101 101 GLU H H 1 8.321 0.005 . 1 . . . . 101 Glu NH . 18474 1
915 . 1 1 101 101 GLU HA H 1 4.438 0.004 . 1 . . . . 101 Glu HA . 18474 1
916 . 1 1 101 101 GLU HB2 H 1 1.761 0.009 . 2 . . . . 101 Glu HB2 . 18474 1
917 . 1 1 101 101 GLU HB3 H 1 2.119 0.010 . 2 . . . . 101 Glu HB3 . 18474 1
918 . 1 1 101 101 GLU HG2 H 1 2.141 0.010 . 2 . . . . 101 Glu HG# . 18474 1
919 . 1 1 101 101 GLU HG3 H 1 2.141 0.010 . 2 . . . . 101 Glu HG# . 18474 1
920 . 1 1 101 101 GLU CA C 13 54.670 0.015 . 1 . . . . 101 Glu CA . 18474 1
921 . 1 1 101 101 GLU CB C 13 28.406 0.093 . 1 . . . . 101 Glu CB . 18474 1
922 . 1 1 101 101 GLU CG C 13 36.169 0.000 . 1 . . . . 101 Glu CG . 18474 1
923 . 1 1 101 101 GLU N N 15 122.764 0.052 . 1 . . . . 101 Glu N . 18474 1
924 . 1 1 102 102 SER H H 1 7.207 0.006 . 1 . . . . 102 Ser NH . 18474 1
925 . 1 1 102 102 SER HA H 1 4.695 0.002 . 1 . . . . 102 Ser HA . 18474 1
926 . 1 1 102 102 SER HB2 H 1 3.601 0.014 . 2 . . . . 102 Ser HB2 . 18474 1
927 . 1 1 102 102 SER HB3 H 1 3.794 0.012 . 2 . . . . 102 Ser HB3 . 18474 1
928 . 1 1 102 102 SER CA C 13 57.021 0.045 . 1 . . . . 102 Ser CA . 18474 1
929 . 1 1 102 102 SER CB C 13 66.130 0.163 . 1 . . . . 102 Ser CB . 18474 1
930 . 1 1 102 102 SER N N 15 110.554 0.023 . 1 . . . . 102 Ser N . 18474 1
931 . 1 1 103 103 ASN H H 1 7.845 0.006 . 1 . . . . 103 Asn NH . 18474 1
932 . 1 1 103 103 ASN HA H 1 4.817 0.005 . 1 . . . . 103 Asn HA . 18474 1
933 . 1 1 103 103 ASN HB2 H 1 2.733 0.006 . 2 . . . . 103 Asn HB2 . 18474 1
934 . 1 1 103 103 ASN HB3 H 1 2.992 0.011 . 2 . . . . 103 Asn HB3 . 18474 1
935 . 1 1 103 103 ASN CA C 13 52.625 0.162 . 1 . . . . 103 Asn CA . 18474 1
936 . 1 1 103 103 ASN CB C 13 39.043 0.069 . 1 . . . . 103 Asn CB . 18474 1
937 . 1 1 103 103 ASN N N 15 117.916 0.041 . 1 . . . . 103 Asn N . 18474 1
938 . 1 1 104 104 ALA H H 1 8.787 0.004 . 1 . . . . 104 Ala NH . 18474 1
939 . 1 1 104 104 ALA HA H 1 4.186 0.009 . 1 . . . . 104 Ala HA . 18474 1
940 . 1 1 104 104 ALA HB1 H 1 1.357 0.005 . 1 . . . . 104 Ala HB# . 18474 1
941 . 1 1 104 104 ALA HB2 H 1 1.357 0.005 . 1 . . . . 104 Ala HB# . 18474 1
942 . 1 1 104 104 ALA HB3 H 1 1.357 0.005 . 1 . . . . 104 Ala HB# . 18474 1
943 . 1 1 104 104 ALA CA C 13 52.840 0.016 . 1 . . . . 104 Ala CA . 18474 1
944 . 1 1 104 104 ALA CB C 13 18.806 0.098 . 1 . . . . 104 Ala CB . 18474 1
945 . 1 1 104 104 ALA N N 15 125.176 0.035 . 1 . . . . 104 Ala N . 18474 1
946 . 1 1 105 105 LEU H H 1 8.423 0.006 . 1 . . . . 105 Leu NH . 18474 1
947 . 1 1 105 105 LEU HB2 H 1 1.628 0.005 . 2 . . . . 105 Leu HB# . 18474 1
948 . 1 1 105 105 LEU HB3 H 1 1.628 0.005 . 2 . . . . 105 Leu HB# . 18474 1
949 . 1 1 105 105 LEU HD11 H 1 0.940 0.003 . 2 . . . . 105 Leu HD# . 18474 1
950 . 1 1 105 105 LEU HD12 H 1 0.940 0.003 . 2 . . . . 105 Leu HD# . 18474 1
951 . 1 1 105 105 LEU HD13 H 1 0.940 0.003 . 2 . . . . 105 Leu HD# . 18474 1
952 . 1 1 105 105 LEU HD21 H 1 0.940 0.003 . 2 . . . . 105 Leu HD# . 18474 1
953 . 1 1 105 105 LEU HD22 H 1 0.940 0.003 . 2 . . . . 105 Leu HD# . 18474 1
954 . 1 1 105 105 LEU HD23 H 1 0.940 0.003 . 2 . . . . 105 Leu HD# . 18474 1
955 . 1 1 105 105 LEU CB C 13 41.712 0.115 . 1 . . . . 105 Leu CB . 18474 1
956 . 1 1 105 105 LEU CG C 13 25.853 0.000 . 1 . . . . 105 Leu CG . 18474 1
957 . 1 1 105 105 LEU CD1 C 13 23.734 0.000 . 2 . . . . 105 Leu CD# . 18474 1
958 . 1 1 105 105 LEU CD2 C 13 23.734 0.000 . 2 . . . . 105 Leu CD# . 18474 1
959 . 1 1 105 105 LEU N N 15 121.111 0.024 . 1 . . . . 105 Leu N . 18474 1
960 . 1 1 106 106 ARG H H 1 8.401 0.003 . 1 . . . . 106 Arg NH . 18474 1
961 . 1 1 106 106 ARG HB2 H 1 1.352 0.000 . 2 . . . . 106 Arg HB# . 18474 1
962 . 1 1 106 106 ARG HB3 H 1 1.352 0.000 . 2 . . . . 106 Arg HB# . 18474 1
963 . 1 1 106 106 ARG HG2 H 1 1.227 0.002 . 2 . . . . 106 Arg HG# . 18474 1
964 . 1 1 106 106 ARG HG3 H 1 1.227 0.002 . 2 . . . . 106 Arg HG# . 18474 1
965 . 1 1 106 106 ARG HD2 H 1 2.720 0.000 . 2 . . . . 106 Arg HD2 . 18474 1
966 . 1 1 106 106 ARG HD3 H 1 2.814 0.000 . 2 . . . . 106 Arg HD3 . 18474 1
967 . 1 1 106 106 ARG CA C 13 55.288 0.044 . 1 . . . . 106 Arg CA . 18474 1
968 . 1 1 106 106 ARG CB C 13 30.989 0.061 . 1 . . . . 106 Arg CB . 18474 1
969 . 1 1 106 106 ARG CG C 13 26.584 0.000 . 1 . . . . 106 Arg CG . 18474 1
970 . 1 1 106 106 ARG CD C 13 42.863 0.000 . 1 . . . . 106 Arg CD . 18474 1
971 . 1 1 106 106 ARG N N 15 121.167 0.077 . 1 . . . . 106 Arg N . 18474 1
972 . 1 1 107 107 PHE H H 1 8.030 0.003 . 1 . . . . 107 Phe NH . 18474 1
973 . 1 1 107 107 PHE HA H 1 4.590 0.007 . 1 . . . . 107 Phe HA . 18474 1
974 . 1 1 107 107 PHE HB2 H 1 2.827 0.004 . 2 . . . . 107 Phe HB2 . 18474 1
975 . 1 1 107 107 PHE HB3 H 1 2.968 0.014 . 2 . . . . 107 Phe HB3 . 18474 1
976 . 1 1 107 107 PHE CA C 13 56.986 0.077 . 1 . . . . 107 Phe CA . 18474 1
977 . 1 1 107 107 PHE CB C 13 40.158 0.094 . 1 . . . . 107 Phe CB . 18474 1
978 . 1 1 107 107 PHE N N 15 119.996 0.023 . 1 . . . . 107 Phe N . 18474 1
979 . 1 1 108 108 GLU H H 1 8.446 0.005 . 1 . . . . 108 Glu NH . 18474 1
980 . 1 1 108 108 GLU CA C 13 54.019 0.000 . 1 . . . . 108 Glu CA . 18474 1
981 . 1 1 108 108 GLU CB C 13 30.014 0.000 . 1 . . . . 108 Glu CB . 18474 1
982 . 1 1 108 108 GLU N N 15 124.603 0.065 . 1 . . . . 108 Glu N . 18474 1
983 . 1 1 109 109 PRO HA H 1 4.359 0.003 . 1 . . . . 109 Pro HA . 18474 1
984 . 1 1 109 109 PRO HB2 H 1 1.878 0.017 . 2 . . . . 109 Pro HB2 . 18474 1
985 . 1 1 109 109 PRO HB3 H 1 2.217 0.009 . 2 . . . . 109 Pro HB3 . 18474 1
986 . 1 1 109 109 PRO HD2 H 1 3.630 0.004 . 2 . . . . 109 Pro HD# . 18474 1
987 . 1 1 109 109 PRO HD3 H 1 3.630 0.004 . 2 . . . . 109 Pro HD# . 18474 1
988 . 1 1 109 109 PRO CA C 13 63.279 0.040 . 1 . . . . 109 Pro CA . 18474 1
989 . 1 1 109 109 PRO CB C 13 32.142 0.063 . 1 . . . . 109 Pro CB . 18474 1
990 . 1 1 109 109 PRO CG C 13 27.457 0.000 . 1 . . . . 109 Pro CG . 18474 1
991 . 1 1 109 109 PRO CD C 13 50.673 0.000 . 1 . . . . 109 Pro CD . 18474 1
992 . 1 1 110 110 THR H H 1 8.259 0.004 . 1 . . . . 110 Thr NH . 18474 1
993 . 1 1 110 110 THR HA H 1 4.191 0.000 . 1 . . . . 110 Thr HA . 18474 1
994 . 1 1 110 110 THR HB H 1 4.241 0.000 . 1 . . . . 110 Thr HB . 18474 1
995 . 1 1 110 110 THR HG21 H 1 1.135 0.003 . 1 . . . . 110 Thr HG2# . 18474 1
996 . 1 1 110 110 THR HG22 H 1 1.135 0.003 . 1 . . . . 110 Thr HG2# . 18474 1
997 . 1 1 110 110 THR HG23 H 1 1.135 0.003 . 1 . . . . 110 Thr HG2# . 18474 1
998 . 1 1 110 110 THR CA C 13 62.041 0.080 . 1 . . . . 110 Thr CA . 18474 1
999 . 1 1 110 110 THR CB C 13 69.918 0.150 . 1 . . . . 110 Thr CB . 18474 1
1000 . 1 1 110 110 THR N N 15 114.339 0.018 . 1 . . . . 110 Thr N . 18474 1
1001 . 1 1 111 111 LEU H H 1 8.225 0.005 . 1 . . . . 111 Leu NH . 18474 1
1002 . 1 1 111 111 LEU HA H 1 4.260 0.006 . 1 . . . . 111 Leu HA . 18474 1
1003 . 1 1 111 111 LEU HB2 H 1 1.486 0.006 . 2 . . . . 111 Leu HB# . 18474 1
1004 . 1 1 111 111 LEU HB3 H 1 1.486 0.006 . 2 . . . . 111 Leu HB# . 18474 1
1005 . 1 1 111 111 LEU HD11 H 1 0.798 0.007 . 2 . . . . 111 Leu HD# . 18474 1
1006 . 1 1 111 111 LEU HD12 H 1 0.798 0.007 . 2 . . . . 111 Leu HD# . 18474 1
1007 . 1 1 111 111 LEU HD13 H 1 0.798 0.007 . 2 . . . . 111 Leu HD# . 18474 1
1008 . 1 1 111 111 LEU HD21 H 1 0.798 0.007 . 2 . . . . 111 Leu HD# . 18474 1
1009 . 1 1 111 111 LEU HD22 H 1 0.798 0.007 . 2 . . . . 111 Leu HD# . 18474 1
1010 . 1 1 111 111 LEU HD23 H 1 0.798 0.007 . 2 . . . . 111 Leu HD# . 18474 1
1011 . 1 1 111 111 LEU CA C 13 55.293 0.057 . 1 . . . . 111 Leu CA . 18474 1
1012 . 1 1 111 111 LEU CB C 13 42.249 0.065 . 1 . . . . 111 Leu CB . 18474 1
1013 . 1 1 111 111 LEU CG C 13 24.433 2.329 . 1 . . . . 111 Leu CG . 18474 1
1014 . 1 1 111 111 LEU N N 15 124.482 0.008 . 1 . . . . 111 Leu N . 18474 1
1015 . 1 1 112 112 GLU H H 1 8.273 0.004 . 1 . . . . 112 Glu NH . 18474 1
1016 . 1 1 112 112 GLU CB C 13 30.297 0.000 . 1 . . . . 112 Glu CB . 18474 1
1017 . 1 1 112 112 GLU N N 15 121.399 0.023 . 1 . . . . 112 Glu N . 18474 1
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