###################################
# 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 50159
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name '1H, 13C, 15N'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1_Solution
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1_H2O
_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 '1 H- 15 N HSQC' . . . 50159 1
2 '1 H- 13 C HSQC' . . . 50159 1
3 '3D HNCACB' . . . 50159 1
4 '3D CBCACONH' . . . 50159 1
5 '3D HNCA' . . . 50159 1
6 '3D HN(CO)CA' . . . 50159 1
7 '3D HNHAHB' . . . 50159 1
8 '3D HBHA(CO)NH' . . . 50159 1
9 '3D 13 C-edited HCCH-TOCSY' . . . 50159 1
10 '3D H(CCO)NH-TOCSY' . . . 50159 1
11 '3D 15 N-edited HSQC-TOCSY' . . . 50159 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 1 1 MET H H 1 8.917 0.008 . 1 . . . . . 1 MET H . 50159 1
2 . 1 . 1 1 1 MET HA H 1 4.422 0.018 . 1 . . . . . 1 MET HA . 50159 1
3 . 1 . 1 1 1 MET HB2 H 1 2.087 0.019 . 2 . . . . . 1 MET HB2 . 50159 1
4 . 1 . 1 1 1 MET HB3 H 1 2.087 0.019 . 2 . . . . . 1 MET HB3 . 50159 1
5 . 1 . 1 1 1 MET HG2 H 1 2.622 0.032 . 2 . . . . . 1 MET HG2 . 50159 1
6 . 1 . 1 1 1 MET HG3 H 1 2.622 0.032 . 2 . . . . . 1 MET HG3 . 50159 1
7 . 1 . 1 1 1 MET CA C 13 57.246 0.093 . 1 . . . . . 1 MET CA . 50159 1
8 . 1 . 1 1 1 MET CB C 13 34.095 0.393 . 1 . . . . . 1 MET CB . 50159 1
9 . 1 . 1 1 1 MET N N 15 122.254 0.176 . 1 . . . . . 1 MET N . 50159 1
10 . 1 . 1 2 2 ILE H H 1 7.792 0.019 . 1 . . . . . 2 ILE H . 50159 1
11 . 1 . 1 2 2 ILE HA H 1 4.373 0.018 . 1 . . . . . 2 ILE HA . 50159 1
12 . 1 . 1 2 2 ILE HB H 1 1.869 0.016 . 1 . . . . . 2 ILE HB . 50159 1
13 . 1 . 1 2 2 ILE HG12 H 1 1.488 0.019 . 2 . . . . . 2 ILE HG12 . 50159 1
14 . 1 . 1 2 2 ILE HG13 H 1 1.488 0.019 . 2 . . . . . 2 ILE HG13 . 50159 1
15 . 1 . 1 2 2 ILE HG21 H 1 1.155 0.029 . 1 . . . . . 2 ILE QG2 . 50159 1
16 . 1 . 1 2 2 ILE HG22 H 1 1.155 0.029 . 1 . . . . . 2 ILE QG2 . 50159 1
17 . 1 . 1 2 2 ILE HG23 H 1 1.155 0.029 . 1 . . . . . 2 ILE QG2 . 50159 1
18 . 1 . 1 2 2 ILE HD11 H 1 0.910 0.016 . 1 . . . . . 2 ILE QD1 . 50159 1
19 . 1 . 1 2 2 ILE HD12 H 1 0.910 0.016 . 1 . . . . . 2 ILE QD1 . 50159 1
20 . 1 . 1 2 2 ILE HD13 H 1 0.910 0.016 . 1 . . . . . 2 ILE QD1 . 50159 1
21 . 1 . 1 2 2 ILE CA C 13 60.230 0.544 . 1 . . . . . 2 ILE CA . 50159 1
22 . 1 . 1 2 2 ILE CB C 13 39.082 0.343 . 1 . . . . . 2 ILE CB . 50159 1
23 . 1 . 1 2 2 ILE CG1 C 13 27.355 0.000 . 1 . . . . . 2 ILE CG1 . 50159 1
24 . 1 . 1 2 2 ILE CG2 C 13 17.684 0.000 . 1 . . . . . 2 ILE CG2 . 50159 1
25 . 1 . 1 2 2 ILE CD1 C 13 13.055 0.000 . 1 . . . . . 2 ILE CD1 . 50159 1
26 . 1 . 1 2 2 ILE N N 15 116.424 0.125 . 1 . . . . . 2 ILE N . 50159 1
27 . 1 . 1 3 3 SER H H 1 8.585 0.010 . 1 . . . . . 3 SER H . 50159 1
28 . 1 . 1 3 3 SER HA H 1 4.517 0.021 . 1 . . . . . 3 SER HA . 50159 1
29 . 1 . 1 3 3 SER HB2 H 1 4.206 0.008 . 2 . . . . . 3 SER HB2 . 50159 1
30 . 1 . 1 3 3 SER HB3 H 1 3.911 0.030 . 2 . . . . . 3 SER HB3 . 50159 1
31 . 1 . 1 3 3 SER CA C 13 58.249 0.129 . 1 . . . . . 3 SER CA . 50159 1
32 . 1 . 1 3 3 SER CB C 13 64.340 0.303 . 1 . . . . . 3 SER CB . 50159 1
33 . 1 . 1 3 3 SER N N 15 120.699 0.145 . 1 . . . . . 3 SER N . 50159 1
34 . 1 . 1 4 4 ASP H H 1 8.607 0.008 . 1 . . . . . 4 ASP H . 50159 1
35 . 1 . 1 4 4 ASP HA H 1 4.417 0.031 . 1 . . . . . 4 ASP HA . 50159 1
36 . 1 . 1 4 4 ASP HB2 H 1 2.672 0.019 . 2 . . . . . 4 ASP HB2 . 50159 1
37 . 1 . 1 4 4 ASP HB3 H 1 2.672 0.019 . 2 . . . . . 4 ASP HB3 . 50159 1
38 . 1 . 1 4 4 ASP CA C 13 56.838 0.158 . 1 . . . . . 4 ASP CA . 50159 1
39 . 1 . 1 4 4 ASP CB C 13 41.000 0.224 . 1 . . . . . 4 ASP CB . 50159 1
40 . 1 . 1 4 4 ASP N N 15 122.160 0.114 . 1 . . . . . 4 ASP N . 50159 1
41 . 1 . 1 5 5 GLU H H 1 8.648 0.014 . 1 . . . . . 5 GLU H . 50159 1
42 . 1 . 1 5 5 GLU HA H 1 4.155 0.017 . 1 . . . . . 5 GLU HA . 50159 1
43 . 1 . 1 5 5 GLU HB2 H 1 2.028 0.027 . 2 . . . . . 5 GLU HB2 . 50159 1
44 . 1 . 1 5 5 GLU HB3 H 1 2.028 0.027 . 2 . . . . . 5 GLU HB3 . 50159 1
45 . 1 . 1 5 5 GLU HG2 H 1 2.341 0.022 . 2 . . . . . 5 GLU HG2 . 50159 1
46 . 1 . 1 5 5 GLU HG3 H 1 2.341 0.022 . 2 . . . . . 5 GLU HG3 . 50159 1
47 . 1 . 1 5 5 GLU CA C 13 59.200 0.088 . 1 . . . . . 5 GLU CA . 50159 1
48 . 1 . 1 5 5 GLU CB C 13 29.543 0.037 . 1 . . . . . 5 GLU CB . 50159 1
49 . 1 . 1 5 5 GLU N N 15 120.055 0.138 . 1 . . . . . 5 GLU N . 50159 1
50 . 1 . 1 6 6 GLN H H 1 7.948 0.021 . 1 . . . . . 6 GLN H . 50159 1
51 . 1 . 1 6 6 GLN HA H 1 4.177 0.021 . 1 . . . . . 6 GLN HA . 50159 1
52 . 1 . 1 6 6 GLN HB2 H 1 2.044 0.027 . 2 . . . . . 6 GLN HB2 . 50159 1
53 . 1 . 1 6 6 GLN HB3 H 1 2.044 0.027 . 2 . . . . . 6 GLN HB3 . 50159 1
54 . 1 . 1 6 6 GLN HG2 H 1 2.280 0.027 . 2 . . . . . 6 GLN HG2 . 50159 1
55 . 1 . 1 6 6 GLN HG3 H 1 2.280 0.027 . 2 . . . . . 6 GLN HG3 . 50159 1
56 . 1 . 1 6 6 GLN HE21 H 1 7.595 0.002 . 2 . . . . . 6 GLN HE21 . 50159 1
57 . 1 . 1 6 6 GLN HE22 H 1 6.764 0.000 . 2 . . . . . 6 GLN HE22 . 50159 1
58 . 1 . 1 6 6 GLN CA C 13 58.177 0.067 . 1 . . . . . 6 GLN CA . 50159 1
59 . 1 . 1 6 6 GLN CB C 13 29.514 0.345 . 1 . . . . . 6 GLN CB . 50159 1
60 . 1 . 1 6 6 GLN CG C 13 35.909 0.710 . 1 . . . . . 6 GLN CG . 50159 1
61 . 1 . 1 6 6 GLN N N 15 119.589 0.166 . 1 . . . . . 6 GLN N . 50159 1
62 . 1 . 1 6 6 GLN NE2 N 15 111.055 0.010 . 1 . . . . . 6 GLN NE2 . 50159 1
63 . 1 . 1 7 7 LEU H H 1 8.242 0.014 . 1 . . . . . 7 LEU H . 50159 1
64 . 1 . 1 7 7 LEU HA H 1 4.082 0.016 . 1 . . . . . 7 LEU HA . 50159 1
65 . 1 . 1 7 7 LEU HB2 H 1 1.749 0.023 . 2 . . . . . 7 LEU HB2 . 50159 1
66 . 1 . 1 7 7 LEU HB3 H 1 1.749 0.023 . 2 . . . . . 7 LEU HB3 . 50159 1
67 . 1 . 1 7 7 LEU HD11 H 1 0.988 0.016 . 2 . . . . . 7 LEU QD1 . 50159 1
68 . 1 . 1 7 7 LEU HD12 H 1 0.988 0.016 . 2 . . . . . 7 LEU QD1 . 50159 1
69 . 1 . 1 7 7 LEU HD13 H 1 0.988 0.016 . 2 . . . . . 7 LEU QD1 . 50159 1
70 . 1 . 1 7 7 LEU HD21 H 1 0.988 0.016 . 2 . . . . . 7 LEU QD2 . 50159 1
71 . 1 . 1 7 7 LEU HD22 H 1 0.988 0.016 . 2 . . . . . 7 LEU QD2 . 50159 1
72 . 1 . 1 7 7 LEU HD23 H 1 0.988 0.016 . 2 . . . . . 7 LEU QD2 . 50159 1
73 . 1 . 1 7 7 LEU CA C 13 57.925 0.066 . 1 . . . . . 7 LEU CA . 50159 1
74 . 1 . 1 7 7 LEU CB C 13 41.856 0.230 . 1 . . . . . 7 LEU CB . 50159 1
75 . 1 . 1 7 7 LEU N N 15 120.736 0.159 . 1 . . . . . 7 LEU N . 50159 1
76 . 1 . 1 8 8 ASN H H 1 8.218 0.016 . 1 . . . . . 8 ASN H . 50159 1
77 . 1 . 1 8 8 ASN HA H 1 4.435 0.020 . 1 . . . . . 8 ASN HA . 50159 1
78 . 1 . 1 8 8 ASN HB2 H 1 2.941 0.012 . 2 . . . . . 8 ASN HB2 . 50159 1
79 . 1 . 1 8 8 ASN HB3 H 1 2.758 0.032 . 2 . . . . . 8 ASN HB3 . 50159 1
80 . 1 . 1 8 8 ASN CA C 13 56.511 0.042 . 1 . . . . . 8 ASN CA . 50159 1
81 . 1 . 1 8 8 ASN CB C 13 38.683 0.127 . 1 . . . . . 8 ASN CB . 50159 1
82 . 1 . 1 8 8 ASN N N 15 117.457 0.110 . 1 . . . . . 8 ASN N . 50159 1
83 . 1 . 1 9 9 SER H H 1 7.979 0.016 . 1 . . . . . 9 SER H . 50159 1
84 . 1 . 1 9 9 SER HA H 1 4.409 0.018 . 1 . . . . . 9 SER HA . 50159 1
85 . 1 . 1 9 9 SER HB2 H 1 4.209 0.014 . 2 . . . . . 9 SER HB2 . 50159 1
86 . 1 . 1 9 9 SER HB3 H 1 4.005 0.019 . 2 . . . . . 9 SER HB3 . 50159 1
87 . 1 . 1 9 9 SER CA C 13 61.829 0.118 . 1 . . . . . 9 SER CA . 50159 1
88 . 1 . 1 9 9 SER CB C 13 65.043 1.252 . 1 . . . . . 9 SER CB . 50159 1
89 . 1 . 1 9 9 SER N N 15 114.425 0.124 . 1 . . . . . 9 SER N . 50159 1
90 . 1 . 1 10 10 LEU H H 1 8.365 0.024 . 1 . . . . . 10 LEU H . 50159 1
91 . 1 . 1 10 10 LEU HA H 1 4.088 0.026 . 1 . . . . . 10 LEU HA . 50159 1
92 . 1 . 1 10 10 LEU HB2 H 1 1.874 0.025 . 2 . . . . . 10 LEU HB2 . 50159 1
93 . 1 . 1 10 10 LEU HB3 H 1 1.874 0.025 . 2 . . . . . 10 LEU HB3 . 50159 1
94 . 1 . 1 10 10 LEU HG H 1 1.665 0.015 . 1 . . . . . 10 LEU HG . 50159 1
95 . 1 . 1 10 10 LEU CA C 13 58.181 0.074 . 1 . . . . . 10 LEU CA . 50159 1
96 . 1 . 1 10 10 LEU CB C 13 42.102 0.135 . 1 . . . . . 10 LEU CB . 50159 1
97 . 1 . 1 10 10 LEU CG C 13 29.232 0.000 . 1 . . . . . 10 LEU CG . 50159 1
98 . 1 . 1 10 10 LEU CD1 C 13 24.983 0.000 . 1 . . . . . 10 LEU CD1 . 50159 1
99 . 1 . 1 10 10 LEU CD2 C 13 24.457 0.000 . 1 . . . . . 10 LEU CD2 . 50159 1
100 . 1 . 1 10 10 LEU N N 15 124.404 0.191 . 1 . . . . . 10 LEU N . 50159 1
101 . 1 . 1 11 11 ALA H H 1 8.458 0.025 . 1 . . . . . 11 ALA H . 50159 1
102 . 1 . 1 11 11 ALA HA H 1 4.029 0.026 . 1 . . . . . 11 ALA HA . 50159 1
103 . 1 . 1 11 11 ALA HB1 H 1 1.539 0.020 . 1 . . . . . 11 ALA HB . 50159 1
104 . 1 . 1 11 11 ALA HB2 H 1 1.539 0.020 . 1 . . . . . 11 ALA HB . 50159 1
105 . 1 . 1 11 11 ALA HB3 H 1 1.539 0.020 . 1 . . . . . 11 ALA HB . 50159 1
106 . 1 . 1 11 11 ALA CA C 13 55.993 0.070 . 1 . . . . . 11 ALA CA . 50159 1
107 . 1 . 1 11 11 ALA CB C 13 19.042 0.461 . 1 . . . . . 11 ALA CB . 50159 1
108 . 1 . 1 11 11 ALA N N 15 121.434 0.117 . 1 . . . . . 11 ALA N . 50159 1
109 . 1 . 1 12 12 ILE H H 1 8.036 0.028 . 1 . . . . . 12 ILE H . 50159 1
110 . 1 . 1 12 12 ILE HA H 1 3.711 0.019 . 1 . . . . . 12 ILE HA . 50159 1
111 . 1 . 1 12 12 ILE HB H 1 2.059 0.014 . 1 . . . . . 12 ILE HB . 50159 1
112 . 1 . 1 12 12 ILE HG12 H 1 1.950 0.029 . 2 . . . . . 12 ILE HG12 . 50159 1
113 . 1 . 1 12 12 ILE HG13 H 1 1.950 0.029 . 2 . . . . . 12 ILE HG13 . 50159 1
114 . 1 . 1 12 12 ILE HD11 H 1 0.988 0.000 . 1 . . . . . 12 ILE QD1 . 50159 1
115 . 1 . 1 12 12 ILE HD12 H 1 0.988 0.000 . 1 . . . . . 12 ILE QD1 . 50159 1
116 . 1 . 1 12 12 ILE HD13 H 1 0.988 0.000 . 1 . . . . . 12 ILE QD1 . 50159 1
117 . 1 . 1 12 12 ILE CA C 13 65.386 0.230 . 1 . . . . . 12 ILE CA . 50159 1
118 . 1 . 1 12 12 ILE CG2 C 13 17.596 0.000 . 1 . . . . . 12 ILE CG2 . 50159 1
119 . 1 . 1 12 12 ILE N N 15 116.233 0.204 . 1 . . . . . 12 ILE N . 50159 1
120 . 1 . 1 13 13 THR H H 1 7.921 0.011 . 1 . . . . . 13 THR H . 50159 1
121 . 1 . 1 13 13 THR HA H 1 4.290 0.009 . 1 . . . . . 13 THR HA . 50159 1
122 . 1 . 1 13 13 THR HB H 1 3.770 0.035 . 1 . . . . . 13 THR HB . 50159 1
123 . 1 . 1 13 13 THR HG21 H 1 1.131 0.010 . 1 . . . . . 13 THR QG2 . 50159 1
124 . 1 . 1 13 13 THR HG22 H 1 1.131 0.010 . 1 . . . . . 13 THR QG2 . 50159 1
125 . 1 . 1 13 13 THR HG23 H 1 1.131 0.010 . 1 . . . . . 13 THR QG2 . 50159 1
126 . 1 . 1 13 13 THR CA C 13 61.741 0.000 . 1 . . . . . 13 THR CA . 50159 1
127 . 1 . 1 13 13 THR CB C 13 68.351 0.036 . 1 . . . . . 13 THR CB . 50159 1
128 . 1 . 1 13 13 THR CG2 C 13 21.573 0.034 . 1 . . . . . 13 THR CG2 . 50159 1
129 . 1 . 1 13 13 THR N N 15 116.284 0.109 . 1 . . . . . 13 THR N . 50159 1
130 . 1 . 1 14 14 PHE H H 1 8.788 0.012 . 1 . . . . . 14 PHE H . 50159 1
131 . 1 . 1 14 14 PHE HA H 1 4.058 0.019 . 1 . . . . . 14 PHE HA . 50159 1
132 . 1 . 1 14 14 PHE HB2 H 1 3.157 0.020 . 2 . . . . . 14 PHE HB2 . 50159 1
133 . 1 . 1 14 14 PHE HB3 H 1 3.157 0.020 . 2 . . . . . 14 PHE HB3 . 50159 1
134 . 1 . 1 14 14 PHE CA C 13 61.747 0.162 . 1 . . . . . 14 PHE CA . 50159 1
135 . 1 . 1 14 14 PHE CB C 13 39.165 0.085 . 1 . . . . . 14 PHE CB . 50159 1
136 . 1 . 1 14 14 PHE N N 15 120.212 0.131 . 1 . . . . . 14 PHE N . 50159 1
137 . 1 . 1 15 15 GLY H H 1 8.622 0.019 . 1 . . . . . 15 GLY H . 50159 1
138 . 1 . 1 15 15 GLY HA2 H 1 3.632 0.007 . 2 . . . . . 15 GLY HA2 . 50159 1
139 . 1 . 1 15 15 GLY HA3 H 1 3.632 0.007 . 2 . . . . . 15 GLY HA3 . 50159 1
140 . 1 . 1 15 15 GLY CA C 13 47.834 0.068 . 1 . . . . . 15 GLY CA . 50159 1
141 . 1 . 1 15 15 GLY N N 15 106.494 0.150 . 1 . . . . . 15 GLY N . 50159 1
142 . 1 . 1 16 16 ILE H H 1 8.407 0.025 . 1 . . . . . 16 ILE H . 50159 1
143 . 1 . 1 16 16 ILE HA H 1 4.240 0.004 . 1 . . . . . 16 ILE HA . 50159 1
144 . 1 . 1 16 16 ILE HB H 1 1.886 0.013 . 1 . . . . . 16 ILE HB . 50159 1
145 . 1 . 1 16 16 ILE HG12 H 1 1.522 0.005 . 2 . . . . . 16 ILE HG12 . 50159 1
146 . 1 . 1 16 16 ILE HG13 H 1 1.522 0.005 . 2 . . . . . 16 ILE HG13 . 50159 1
147 . 1 . 1 16 16 ILE HG21 H 1 1.211 0.000 . 1 . . . . . 16 ILE QG2 . 50159 1
148 . 1 . 1 16 16 ILE HG22 H 1 1.211 0.000 . 1 . . . . . 16 ILE QG2 . 50159 1
149 . 1 . 1 16 16 ILE HG23 H 1 1.211 0.000 . 1 . . . . . 16 ILE QG2 . 50159 1
150 . 1 . 1 16 16 ILE HD11 H 1 0.840 0.025 . 1 . . . . . 16 ILE QD1 . 50159 1
151 . 1 . 1 16 16 ILE HD12 H 1 0.840 0.025 . 1 . . . . . 16 ILE QD1 . 50159 1
152 . 1 . 1 16 16 ILE HD13 H 1 0.840 0.025 . 1 . . . . . 16 ILE QD1 . 50159 1
153 . 1 . 1 16 16 ILE CA C 13 65.404 0.090 . 1 . . . . . 16 ILE CA . 50159 1
154 . 1 . 1 16 16 ILE CB C 13 38.815 0.560 . 1 . . . . . 16 ILE CB . 50159 1
155 . 1 . 1 16 16 ILE N N 15 121.267 0.150 . 1 . . . . . 16 ILE N . 50159 1
156 . 1 . 1 17 17 VAL H H 1 8.404 0.014 . 1 . . . . . 17 VAL H . 50159 1
157 . 1 . 1 17 17 VAL HA H 1 3.423 0.011 . 1 . . . . . 17 VAL HA . 50159 1
158 . 1 . 1 17 17 VAL HB H 1 2.111 0.025 . 1 . . . . . 17 VAL HB . 50159 1
159 . 1 . 1 17 17 VAL HG11 H 1 0.980 0.019 . 2 . . . . . 17 VAL QG1 . 50159 1
160 . 1 . 1 17 17 VAL HG12 H 1 0.980 0.019 . 2 . . . . . 17 VAL QG1 . 50159 1
161 . 1 . 1 17 17 VAL HG13 H 1 0.980 0.019 . 2 . . . . . 17 VAL QG1 . 50159 1
162 . 1 . 1 17 17 VAL HG21 H 1 0.980 0.019 . 2 . . . . . 17 VAL QG2 . 50159 1
163 . 1 . 1 17 17 VAL HG22 H 1 0.980 0.019 . 2 . . . . . 17 VAL QG2 . 50159 1
164 . 1 . 1 17 17 VAL HG23 H 1 0.980 0.019 . 2 . . . . . 17 VAL QG2 . 50159 1
165 . 1 . 1 17 17 VAL CA C 13 67.832 0.128 . 1 . . . . . 17 VAL CA . 50159 1
166 . 1 . 1 17 17 VAL CB C 13 32.349 0.750 . 1 . . . . . 17 VAL CB . 50159 1
167 . 1 . 1 17 17 VAL CG1 C 13 21.265 0.000 . 1 . . . . . 17 VAL CG1 . 50159 1
168 . 1 . 1 17 17 VAL CG2 C 13 20.423 0.000 . 1 . . . . . 17 VAL CG2 . 50159 1
169 . 1 . 1 17 17 VAL N N 15 122.705 0.163 . 1 . . . . . 17 VAL N . 50159 1
170 . 1 . 1 18 18 MET H H 1 8.464 0.015 . 1 . . . . . 18 MET H . 50159 1
171 . 1 . 1 18 18 MET HA H 1 4.082 0.012 . 1 . . . . . 18 MET HA . 50159 1
172 . 1 . 1 18 18 MET HB2 H 1 2.130 0.021 . 2 . . . . . 18 MET HB2 . 50159 1
173 . 1 . 1 18 18 MET HB3 H 1 2.130 0.021 . 2 . . . . . 18 MET HB3 . 50159 1
174 . 1 . 1 18 18 MET HG2 H 1 2.538 0.029 . 2 . . . . . 18 MET HG2 . 50159 1
175 . 1 . 1 18 18 MET HG3 H 1 2.538 0.029 . 2 . . . . . 18 MET HG3 . 50159 1
176 . 1 . 1 18 18 MET CA C 13 58.201 0.045 . 1 . . . . . 18 MET CA . 50159 1
177 . 1 . 1 18 18 MET CB C 13 32.437 0.784 . 1 . . . . . 18 MET CB . 50159 1
178 . 1 . 1 18 18 MET CG C 13 30.839 0.000 . 1 . . . . . 18 MET CG . 50159 1
179 . 1 . 1 18 18 MET N N 15 117.194 0.155 . 1 . . . . . 18 MET N . 50159 1
180 . 1 . 1 19 19 MET H H 1 8.352 0.019 . 1 . . . . . 19 MET H . 50159 1
181 . 1 . 1 19 19 MET HA H 1 4.066 0.010 . 1 . . . . . 19 MET HA . 50159 1
182 . 1 . 1 19 19 MET HB2 H 1 2.134 0.012 . 2 . . . . . 19 MET HB2 . 50159 1
183 . 1 . 1 19 19 MET HB3 H 1 2.134 0.012 . 2 . . . . . 19 MET HB3 . 50159 1
184 . 1 . 1 19 19 MET HG2 H 1 2.656 0.000 . 2 . . . . . 19 MET HG2 . 50159 1
185 . 1 . 1 19 19 MET HG3 H 1 2.656 0.000 . 2 . . . . . 19 MET HG3 . 50159 1
186 . 1 . 1 19 19 MET CA C 13 58.694 0.000 . 1 . . . . . 19 MET CA . 50159 1
187 . 1 . 1 19 19 MET CB C 13 33.399 0.262 . 1 . . . . . 19 MET CB . 50159 1
188 . 1 . 1 19 19 MET CG C 13 30.802 0.000 . 1 . . . . . 19 MET CG . 50159 1
189 . 1 . 1 19 19 MET N N 15 116.501 0.152 . 1 . . . . . 19 MET N . 50159 1
190 . 1 . 1 20 20 THR H H 1 8.161 0.013 . 1 . . . . . 20 THR H . 50159 1
191 . 1 . 1 20 20 THR HA H 1 4.308 0.021 . 1 . . . . . 20 THR HA . 50159 1
192 . 1 . 1 20 20 THR HB H 1 3.657 0.026 . 1 . . . . . 20 THR HB . 50159 1
193 . 1 . 1 20 20 THR HG21 H 1 1.096 0.022 . 1 . . . . . 20 THR QG2 . 50159 1
194 . 1 . 1 20 20 THR HG22 H 1 1.096 0.022 . 1 . . . . . 20 THR QG2 . 50159 1
195 . 1 . 1 20 20 THR HG23 H 1 1.096 0.022 . 1 . . . . . 20 THR QG2 . 50159 1
196 . 1 . 1 20 20 THR CA C 13 60.800 0.000 . 1 . . . . . 20 THR CA . 50159 1
197 . 1 . 1 20 20 THR CB C 13 68.502 0.036 . 1 . . . . . 20 THR CB . 50159 1
198 . 1 . 1 20 20 THR CG2 C 13 21.545 0.000 . 1 . . . . . 20 THR CG2 . 50159 1
199 . 1 . 1 20 20 THR N N 15 120.138 0.097 . 1 . . . . . 20 THR N . 50159 1
200 . 1 . 1 21 21 LEU H H 1 8.509 0.014 . 1 . . . . . 21 LEU H . 50159 1
201 . 1 . 1 21 21 LEU HA H 1 3.963 0.009 . 1 . . . . . 21 LEU HA . 50159 1
202 . 1 . 1 21 21 LEU HB2 H 1 1.647 0.007 . 2 . . . . . 21 LEU HB2 . 50159 1
203 . 1 . 1 21 21 LEU HB3 H 1 1.647 0.007 . 2 . . . . . 21 LEU HB3 . 50159 1
204 . 1 . 1 21 21 LEU HD11 H 1 0.948 0.023 . 2 . . . . . 21 LEU QD1 . 50159 1
205 . 1 . 1 21 21 LEU HD12 H 1 0.948 0.023 . 2 . . . . . 21 LEU QD1 . 50159 1
206 . 1 . 1 21 21 LEU HD13 H 1 0.948 0.023 . 2 . . . . . 21 LEU QD1 . 50159 1
207 . 1 . 1 21 21 LEU HD21 H 1 0.948 0.023 . 2 . . . . . 21 LEU QD2 . 50159 1
208 . 1 . 1 21 21 LEU HD22 H 1 0.948 0.023 . 2 . . . . . 21 LEU QD2 . 50159 1
209 . 1 . 1 21 21 LEU HD23 H 1 0.948 0.023 . 2 . . . . . 21 LEU QD2 . 50159 1
210 . 1 . 1 21 21 LEU CA C 13 55.102 0.234 . 1 . . . . . 21 LEU CA . 50159 1
211 . 1 . 1 21 21 LEU CB C 13 42.709 0.333 . 1 . . . . . 21 LEU CB . 50159 1
212 . 1 . 1 21 21 LEU CG C 13 26.595 0.000 . 1 . . . . . 21 LEU CG . 50159 1
213 . 1 . 1 21 21 LEU CD1 C 13 24.271 0.000 . 1 . . . . . 21 LEU CD1 . 50159 1
214 . 1 . 1 21 21 LEU N N 15 119.574 0.155 . 1 . . . . . 21 LEU N . 50159 1
215 . 1 . 1 22 22 ILE H H 1 8.105 0.020 . 1 . . . . . 22 ILE H . 50159 1
216 . 1 . 1 22 22 ILE HA H 1 4.061 0.036 . 1 . . . . . 22 ILE HA . 50159 1
217 . 1 . 1 22 22 ILE HB H 1 2.011 0.026 . 1 . . . . . 22 ILE HB . 50159 1
218 . 1 . 1 22 22 ILE HG12 H 1 1.552 0.022 . 2 . . . . . 22 ILE HG12 . 50159 1
219 . 1 . 1 22 22 ILE HG13 H 1 1.230 0.016 . 2 . . . . . 22 ILE HG13 . 50159 1
220 . 1 . 1 22 22 ILE HG21 H 1 1.054 0.032 . 1 . . . . . 22 ILE QG2 . 50159 1
221 . 1 . 1 22 22 ILE HG22 H 1 1.054 0.032 . 1 . . . . . 22 ILE QG2 . 50159 1
222 . 1 . 1 22 22 ILE HG23 H 1 1.054 0.032 . 1 . . . . . 22 ILE QG2 . 50159 1
223 . 1 . 1 22 22 ILE HD11 H 1 0.807 0.020 . 1 . . . . . 22 ILE QD1 . 50159 1
224 . 1 . 1 22 22 ILE HD12 H 1 0.807 0.020 . 1 . . . . . 22 ILE QD1 . 50159 1
225 . 1 . 1 22 22 ILE HD13 H 1 0.807 0.020 . 1 . . . . . 22 ILE QD1 . 50159 1
226 . 1 . 1 22 22 ILE CA C 13 60.959 0.000 . 1 . . . . . 22 ILE CA . 50159 1
227 . 1 . 1 22 22 ILE CB C 13 40.207 0.998 . 1 . . . . . 22 ILE CB . 50159 1
228 . 1 . 1 22 22 ILE CG1 C 13 26.611 0.122 . 1 . . . . . 22 ILE CG1 . 50159 1
229 . 1 . 1 22 22 ILE CG2 C 13 17.036 0.021 . 1 . . . . . 22 ILE CG2 . 50159 1
230 . 1 . 1 22 22 ILE CD1 C 13 13.662 0.202 . 1 . . . . . 22 ILE CD1 . 50159 1
231 . 1 . 1 22 22 ILE N N 15 115.874 0.161 . 1 . . . . . 22 ILE N . 50159 1
232 . 1 . 1 23 23 VAL H H 1 8.098 0.015 . 1 . . . . . 23 VAL H . 50159 1
233 . 1 . 1 23 23 VAL HA H 1 3.695 0.018 . 1 . . . . . 23 VAL HA . 50159 1
234 . 1 . 1 23 23 VAL HB H 1 2.387 0.011 . 1 . . . . . 23 VAL HB . 50159 1
235 . 1 . 1 23 23 VAL HG11 H 1 0.999 0.018 . 2 . . . . . 23 VAL QG1 . 50159 1
236 . 1 . 1 23 23 VAL HG12 H 1 0.999 0.018 . 2 . . . . . 23 VAL QG1 . 50159 1
237 . 1 . 1 23 23 VAL HG13 H 1 0.999 0.018 . 2 . . . . . 23 VAL QG1 . 50159 1
238 . 1 . 1 23 23 VAL HG21 H 1 1.128 0.000 . 2 . . . . . 23 VAL QG2 . 50159 1
239 . 1 . 1 23 23 VAL HG22 H 1 1.128 0.000 . 2 . . . . . 23 VAL QG2 . 50159 1
240 . 1 . 1 23 23 VAL HG23 H 1 1.128 0.000 . 2 . . . . . 23 VAL QG2 . 50159 1
241 . 1 . 1 23 23 VAL CA C 13 67.112 0.712 . 1 . . . . . 23 VAL CA . 50159 1
242 . 1 . 1 23 23 VAL CB C 13 31.269 0.170 . 1 . . . . . 23 VAL CB . 50159 1
243 . 1 . 1 23 23 VAL CG1 C 13 21.132 0.000 . 1 . . . . . 23 VAL CG1 . 50159 1
244 . 1 . 1 23 23 VAL N N 15 118.530 0.174 . 1 . . . . . 23 VAL N . 50159 1
245 . 1 . 1 24 24 ILE H H 1 8.676 0.015 . 1 . . . . . 24 ILE H . 50159 1
246 . 1 . 1 24 24 ILE HA H 1 3.991 0.029 . 1 . . . . . 24 ILE HA . 50159 1
247 . 1 . 1 24 24 ILE HB H 1 1.940 0.036 . 1 . . . . . 24 ILE HB . 50159 1
248 . 1 . 1 24 24 ILE HG12 H 1 1.781 0.014 . 2 . . . . . 24 ILE HG12 . 50159 1
249 . 1 . 1 24 24 ILE HG13 H 1 1.781 0.014 . 2 . . . . . 24 ILE HG13 . 50159 1
250 . 1 . 1 24 24 ILE HG21 H 1 1.706 0.024 . 1 . . . . . 24 ILE QG2 . 50159 1
251 . 1 . 1 24 24 ILE HG22 H 1 1.706 0.024 . 1 . . . . . 24 ILE QG2 . 50159 1
252 . 1 . 1 24 24 ILE HG23 H 1 1.706 0.024 . 1 . . . . . 24 ILE QG2 . 50159 1
253 . 1 . 1 24 24 ILE HD11 H 1 0.847 0.025 . 1 . . . . . 24 ILE QD1 . 50159 1
254 . 1 . 1 24 24 ILE HD12 H 1 0.847 0.025 . 1 . . . . . 24 ILE QD1 . 50159 1
255 . 1 . 1 24 24 ILE HD13 H 1 0.847 0.025 . 1 . . . . . 24 ILE QD1 . 50159 1
256 . 1 . 1 24 24 ILE CA C 13 57.984 0.174 . 1 . . . . . 24 ILE CA . 50159 1
257 . 1 . 1 24 24 ILE CB C 13 42.016 0.135 . 1 . . . . . 24 ILE CB . 50159 1
258 . 1 . 1 24 24 ILE N N 15 119.155 0.176 . 1 . . . . . 24 ILE N . 50159 1
259 . 1 . 1 25 25 TYR H H 1 8.244 0.022 . 1 . . . . . 25 TYR H . 50159 1
260 . 1 . 1 25 25 TYR HA H 1 4.706 0.024 . 1 . . . . . 25 TYR HA . 50159 1
261 . 1 . 1 25 25 TYR HB2 H 1 2.846 0.030 . 2 . . . . . 25 TYR HB2 . 50159 1
262 . 1 . 1 25 25 TYR HB3 H 1 2.846 0.030 . 2 . . . . . 25 TYR HB3 . 50159 1
263 . 1 . 1 25 25 TYR CA C 13 56.619 0.135 . 1 . . . . . 25 TYR CA . 50159 1
264 . 1 . 1 25 25 TYR CB C 13 38.877 0.078 . 1 . . . . . 25 TYR CB . 50159 1
265 . 1 . 1 25 25 TYR N N 15 118.647 0.144 . 1 . . . . . 25 TYR N . 50159 1
266 . 1 . 1 26 26 HIS H H 1 8.169 0.032 . 1 . . . . . 26 HIS H . 50159 1
267 . 1 . 1 26 26 HIS HA H 1 4.126 0.023 . 1 . . . . . 26 HIS HA . 50159 1
268 . 1 . 1 26 26 HIS HB2 H 1 3.184 0.017 . 2 . . . . . 26 HIS HB2 . 50159 1
269 . 1 . 1 26 26 HIS HB3 H 1 3.125 0.029 . 2 . . . . . 26 HIS HB3 . 50159 1
270 . 1 . 1 26 26 HIS CA C 13 57.380 0.522 . 1 . . . . . 26 HIS CA . 50159 1
271 . 1 . 1 26 26 HIS CB C 13 30.873 0.368 . 1 . . . . . 26 HIS CB . 50159 1
272 . 1 . 1 26 26 HIS N N 15 115.067 0.137 . 1 . . . . . 26 HIS N . 50159 1
273 . 1 . 1 27 27 ALA H H 1 8.547 0.018 . 1 . . . . . 27 ALA H . 50159 1
274 . 1 . 1 27 27 ALA HA H 1 4.121 0.019 . 1 . . . . . 27 ALA HA . 50159 1
275 . 1 . 1 27 27 ALA HB1 H 1 1.511 0.021 . 1 . . . . . 27 ALA HB . 50159 1
276 . 1 . 1 27 27 ALA HB2 H 1 1.511 0.021 . 1 . . . . . 27 ALA HB . 50159 1
277 . 1 . 1 27 27 ALA HB3 H 1 1.511 0.021 . 1 . . . . . 27 ALA HB . 50159 1
278 . 1 . 1 27 27 ALA CA C 13 54.573 0.441 . 1 . . . . . 27 ALA CA . 50159 1
279 . 1 . 1 27 27 ALA CB C 13 19.159 0.351 . 1 . . . . . 27 ALA CB . 50159 1
280 . 1 . 1 27 27 ALA N N 15 122.039 0.180 . 1 . . . . . 27 ALA N . 50159 1
281 . 1 . 1 28 28 VAL H H 1 8.127 0.023 . 1 . . . . . 28 VAL H . 50159 1
282 . 1 . 1 28 28 VAL HA H 1 3.809 0.015 . 1 . . . . . 28 VAL HA . 50159 1
283 . 1 . 1 28 28 VAL HB H 1 2.174 0.023 . 1 . . . . . 28 VAL HB . 50159 1
284 . 1 . 1 28 28 VAL HG11 H 1 0.943 0.020 . 2 . . . . . 28 VAL QG1 . 50159 1
285 . 1 . 1 28 28 VAL HG12 H 1 0.943 0.020 . 2 . . . . . 28 VAL QG1 . 50159 1
286 . 1 . 1 28 28 VAL HG13 H 1 0.943 0.020 . 2 . . . . . 28 VAL QG1 . 50159 1
287 . 1 . 1 28 28 VAL HG21 H 1 1.046 0.033 . 2 . . . . . 28 VAL QG2 . 50159 1
288 . 1 . 1 28 28 VAL HG22 H 1 1.046 0.033 . 2 . . . . . 28 VAL QG2 . 50159 1
289 . 1 . 1 28 28 VAL HG23 H 1 1.046 0.033 . 2 . . . . . 28 VAL QG2 . 50159 1
290 . 1 . 1 28 28 VAL CA C 13 61.610 0.000 . 1 . . . . . 28 VAL CA . 50159 1
291 . 1 . 1 28 28 VAL CB C 13 32.654 0.554 . 1 . . . . . 28 VAL CB . 50159 1
292 . 1 . 1 28 28 VAL CG1 C 13 20.592 0.000 . 1 . . . . . 28 VAL CG1 . 50159 1
293 . 1 . 1 28 28 VAL CG2 C 13 19.708 0.000 . 1 . . . . . 28 VAL CG2 . 50159 1
294 . 1 . 1 28 28 VAL N N 15 116.636 0.088 . 1 . . . . . 28 VAL N . 50159 1
295 . 1 . 1 29 29 ASP H H 1 8.255 0.014 . 1 . . . . . 29 ASP H . 50159 1
296 . 1 . 1 29 29 ASP HA H 1 4.381 0.010 . 1 . . . . . 29 ASP HA . 50159 1
297 . 1 . 1 29 29 ASP HB2 H 1 2.518 0.032 . 2 . . . . . 29 ASP HB2 . 50159 1
298 . 1 . 1 29 29 ASP HB3 H 1 2.518 0.032 . 2 . . . . . 29 ASP HB3 . 50159 1
299 . 1 . 1 29 29 ASP CA C 13 55.928 0.057 . 1 . . . . . 29 ASP CA . 50159 1
300 . 1 . 1 29 29 ASP CB C 13 42.051 0.112 . 1 . . . . . 29 ASP CB . 50159 1
301 . 1 . 1 29 29 ASP N N 15 121.210 0.163 . 1 . . . . . 29 ASP N . 50159 1
302 . 1 . 1 30 30 SER H H 1 8.074 0.018 . 1 . . . . . 30 SER H . 50159 1
303 . 1 . 1 30 30 SER HA H 1 4.274 0.032 . 1 . . . . . 30 SER HA . 50159 1
304 . 1 . 1 30 30 SER HB2 H 1 3.877 0.034 . 2 . . . . . 30 SER HB2 . 50159 1
305 . 1 . 1 30 30 SER HB3 H 1 3.877 0.034 . 2 . . . . . 30 SER HB3 . 50159 1
306 . 1 . 1 30 30 SER CA C 13 60.327 0.061 . 1 . . . . . 30 SER CA . 50159 1
307 . 1 . 1 30 30 SER CB C 13 63.642 0.000 . 1 . . . . . 30 SER CB . 50159 1
308 . 1 . 1 30 30 SER N N 15 113.228 0.173 . 1 . . . . . 30 SER N . 50159 1
309 . 1 . 1 31 31 THR H H 1 7.936 0.014 . 1 . . . . . 31 THR H . 50159 1
310 . 1 . 1 31 31 THR HA H 1 4.227 0.027 . 1 . . . . . 31 THR HA . 50159 1
311 . 1 . 1 31 31 THR HB H 1 4.083 0.000 . 1 . . . . . 31 THR HB . 50159 1
312 . 1 . 1 31 31 THR HG21 H 1 1.268 0.012 . 1 . . . . . 31 THR QG2 . 50159 1
313 . 1 . 1 31 31 THR HG22 H 1 1.268 0.012 . 1 . . . . . 31 THR QG2 . 50159 1
314 . 1 . 1 31 31 THR HG23 H 1 1.268 0.012 . 1 . . . . . 31 THR QG2 . 50159 1
315 . 1 . 1 31 31 THR CA C 13 64.123 0.506 . 1 . . . . . 31 THR CA . 50159 1
316 . 1 . 1 31 31 THR CB C 13 69.430 0.036 . 1 . . . . . 31 THR CB . 50159 1
317 . 1 . 1 31 31 THR CG2 C 13 21.958 0.000 . 1 . . . . . 31 THR CG2 . 50159 1
318 . 1 . 1 31 31 THR N N 15 114.056 0.136 . 1 . . . . . 31 THR N . 50159 1
319 . 1 . 1 32 32 MET H H 1 8.031 0.029 . 1 . . . . . 32 MET H . 50159 1
320 . 1 . 1 32 32 MET HA H 1 4.439 0.018 . 1 . . . . . 32 MET HA . 50159 1
321 . 1 . 1 32 32 MET HB2 H 1 2.103 0.019 . 2 . . . . . 32 MET HB2 . 50159 1
322 . 1 . 1 32 32 MET HB3 H 1 2.103 0.019 . 2 . . . . . 32 MET HB3 . 50159 1
323 . 1 . 1 32 32 MET HG2 H 1 2.575 0.028 . 2 . . . . . 32 MET HG2 . 50159 1
324 . 1 . 1 32 32 MET HG3 H 1 2.575 0.028 . 2 . . . . . 32 MET HG3 . 50159 1
325 . 1 . 1 32 32 MET CA C 13 55.889 0.028 . 1 . . . . . 32 MET CA . 50159 1
326 . 1 . 1 32 32 MET CB C 13 33.838 0.663 . 1 . . . . . 32 MET CB . 50159 1
327 . 1 . 1 32 32 MET N N 15 119.704 0.230 . 1 . . . . . 32 MET N . 50159 1
328 . 1 . 1 33 33 SER H H 1 7.928 0.014 . 1 . . . . . 33 SER H . 50159 1
329 . 1 . 1 33 33 SER HA H 1 4.276 0.020 . 1 . . . . . 33 SER HA . 50159 1
330 . 1 . 1 33 33 SER HB2 H 1 3.881 0.006 . 2 . . . . . 33 SER HB2 . 50159 1
331 . 1 . 1 33 33 SER HB3 H 1 3.881 0.006 . 2 . . . . . 33 SER HB3 . 50159 1
332 . 1 . 1 33 33 SER CA C 13 56.468 0.000 . 1 . . . . . 33 SER CA . 50159 1
333 . 1 . 1 33 33 SER CB C 13 63.423 0.000 . 1 . . . . . 33 SER CB . 50159 1
334 . 1 . 1 33 33 SER N N 15 116.057 0.254 . 1 . . . . . 33 SER N . 50159 1
335 . 1 . 1 34 34 PRO HA H 1 4.261 0.011 . 1 . . . . . 34 PRO HA . 50159 1
336 . 1 . 1 34 34 PRO HB2 H 1 2.228 0.037 . 2 . . . . . 34 PRO HB2 . 50159 1
337 . 1 . 1 34 34 PRO HB3 H 1 2.228 0.037 . 2 . . . . . 34 PRO HB3 . 50159 1
338 . 1 . 1 34 34 PRO CA C 13 63.878 0.217 . 1 . . . . . 34 PRO CA . 50159 1
339 . 1 . 1 34 34 PRO CB C 13 31.886 0.002 . 1 . . . . . 34 PRO CB . 50159 1
340 . 1 . 1 35 35 LYS H H 1 8.282 0.020 . 1 . . . . . 35 LYS H . 50159 1
341 . 1 . 1 35 35 LYS HA H 1 4.207 0.031 . 1 . . . . . 35 LYS HA . 50159 1
342 . 1 . 1 35 35 LYS HB2 H 1 1.850 0.020 . 2 . . . . . 35 LYS HB2 . 50159 1
343 . 1 . 1 35 35 LYS HB3 H 1 1.850 0.020 . 2 . . . . . 35 LYS HB3 . 50159 1
344 . 1 . 1 35 35 LYS HG2 H 1 1.440 0.018 . 2 . . . . . 35 LYS HG2 . 50159 1
345 . 1 . 1 35 35 LYS HG3 H 1 1.440 0.018 . 2 . . . . . 35 LYS HG3 . 50159 1
346 . 1 . 1 35 35 LYS HD2 H 1 1.725 0.018 . 2 . . . . . 35 LYS HD2 . 50159 1
347 . 1 . 1 35 35 LYS HD3 H 1 1.725 0.018 . 2 . . . . . 35 LYS HD3 . 50159 1
348 . 1 . 1 35 35 LYS HE2 H 1 3.014 0.007 . 2 . . . . . 35 LYS HE2 . 50159 1
349 . 1 . 1 35 35 LYS HE3 H 1 3.014 0.007 . 2 . . . . . 35 LYS HE3 . 50159 1
350 . 1 . 1 35 35 LYS CA C 13 57.557 0.188 . 1 . . . . . 35 LYS CA . 50159 1
351 . 1 . 1 35 35 LYS CB C 13 33.288 0.543 . 1 . . . . . 35 LYS CB . 50159 1
352 . 1 . 1 35 35 LYS CG C 13 24.798 0.060 . 1 . . . . . 35 LYS CG . 50159 1
353 . 1 . 1 35 35 LYS CD C 13 29.157 0.000 . 1 . . . . . 35 LYS CD . 50159 1
354 . 1 . 1 35 35 LYS CE C 13 42.280 0.000 . 1 . . . . . 35 LYS CE . 50159 1
355 . 1 . 1 35 35 LYS N N 15 120.067 0.325 . 1 . . . . . 35 LYS N . 50159 1
356 . 1 . 1 36 36 ASN H H 1 8.179 0.018 . 1 . . . . . 36 ASN H . 50159 1
357 . 1 . 1 36 36 ASN HA H 1 4.481 0.023 . 1 . . . . . 36 ASN HA . 50159 1
358 . 1 . 1 36 36 ASN HB2 H 1 2.855 0.009 . 2 . . . . . 36 ASN HB2 . 50159 1
359 . 1 . 1 36 36 ASN HB3 H 1 2.783 0.002 . 2 . . . . . 36 ASN HB3 . 50159 1
360 . 1 . 1 36 36 ASN CA C 13 54.344 0.535 . 1 . . . . . 36 ASN CA . 50159 1
361 . 1 . 1 36 36 ASN CB C 13 38.838 0.070 . 1 . . . . . 36 ASN CB . 50159 1
362 . 1 . 1 36 36 ASN N N 15 118.062 0.247 . 1 . . . . . 36 ASN N . 50159 1
363 . 1 . 1 37 37 ARG H H 1 8.124 0.023 . 1 . . . . . 37 ARG H . 50159 1
364 . 1 . 1 37 37 ARG HA H 1 4.338 0.014 . 1 . . . . . 37 ARG HA . 50159 1
365 . 1 . 1 37 37 ARG HB2 H 1 1.860 0.016 . 2 . . . . . 37 ARG HB2 . 50159 1
366 . 1 . 1 37 37 ARG HB3 H 1 1.939 0.005 . 2 . . . . . 37 ARG HB3 . 50159 1
367 . 1 . 1 37 37 ARG HG2 H 1 1.767 0.015 . 2 . . . . . 37 ARG HG2 . 50159 1
368 . 1 . 1 37 37 ARG HG3 H 1 1.645 0.017 . 2 . . . . . 37 ARG HG3 . 50159 1
369 . 1 . 1 37 37 ARG CA C 13 56.391 0.170 . 1 . . . . . 37 ARG CA . 50159 1
370 . 1 . 1 37 37 ARG CB C 13 30.661 0.139 . 1 . . . . . 37 ARG CB . 50159 1
371 . 1 . 1 37 37 ARG N N 15 120.568 0.199 . 1 . . . . . 37 ARG N . 50159 1
372 . 1 . 1 38 38 LEU H H 1 8.248 0.013 . 1 . . . . . 38 LEU H . 50159 1
373 . 1 . 1 38 38 LEU HA H 1 4.367 0.016 . 1 . . . . . 38 LEU HA . 50159 1
374 . 1 . 1 38 38 LEU HB2 H 1 1.654 0.006 . 2 . . . . . 38 LEU HB2 . 50159 1
375 . 1 . 1 38 38 LEU HB3 H 1 1.654 0.006 . 2 . . . . . 38 LEU HB3 . 50159 1
376 . 1 . 1 38 38 LEU HG H 1 1.061 0.000 . 1 . . . . . 38 LEU HG . 50159 1
377 . 1 . 1 38 38 LEU HD11 H 1 0.918 0.000 . 2 . . . . . 38 LEU QD1 . 50159 1
378 . 1 . 1 38 38 LEU HD12 H 1 0.918 0.000 . 2 . . . . . 38 LEU QD1 . 50159 1
379 . 1 . 1 38 38 LEU HD13 H 1 0.918 0.000 . 2 . . . . . 38 LEU QD1 . 50159 1
380 . 1 . 1 38 38 LEU HD21 H 1 0.918 0.000 . 2 . . . . . 38 LEU QD2 . 50159 1
381 . 1 . 1 38 38 LEU HD22 H 1 0.918 0.000 . 2 . . . . . 38 LEU QD2 . 50159 1
382 . 1 . 1 38 38 LEU HD23 H 1 0.918 0.000 . 2 . . . . . 38 LEU QD2 . 50159 1
383 . 1 . 1 38 38 LEU CA C 13 55.323 0.141 . 1 . . . . . 38 LEU CA . 50159 1
384 . 1 . 1 38 38 LEU CB C 13 42.407 0.227 . 1 . . . . . 38 LEU CB . 50159 1
385 . 1 . 1 38 38 LEU CG C 13 27.094 0.000 . 1 . . . . . 38 LEU CG . 50159 1
386 . 1 . 1 38 38 LEU CD1 C 13 24.861 0.000 . 1 . . . . . 38 LEU CD1 . 50159 1
387 . 1 . 1 38 38 LEU CD2 C 13 23.699 0.000 . 1 . . . . . 38 LEU CD2 . 50159 1
388 . 1 . 1 38 38 LEU N N 15 123.261 0.204 . 1 . . . . . 38 LEU N . 50159 1
389 . 1 . 1 39 39 GLU H H 1 7.729 0.012 . 1 . . . . . 39 GLU H . 50159 1
390 . 1 . 1 39 39 GLU HA H 1 4.139 0.009 . 1 . . . . . 39 GLU HA . 50159 1
391 . 1 . 1 39 39 GLU HB2 H 1 1.935 0.030 . 2 . . . . . 39 GLU HB2 . 50159 1
392 . 1 . 1 39 39 GLU HB3 H 1 1.935 0.030 . 2 . . . . . 39 GLU HB3 . 50159 1
393 . 1 . 1 39 39 GLU HG2 H 1 2.179 0.000 . 2 . . . . . 39 GLU HG2 . 50159 1
394 . 1 . 1 39 39 GLU HG3 H 1 2.179 0.000 . 2 . . . . . 39 GLU HG3 . 50159 1
395 . 1 . 1 39 39 GLU CA C 13 57.929 0.123 . 1 . . . . . 39 GLU CA . 50159 1
396 . 1 . 1 39 39 GLU CB C 13 31.309 0.000 . 1 . . . . . 39 GLU CB . 50159 1
397 . 1 . 1 39 39 GLU N N 15 125.863 0.128 . 1 . . . . . 39 GLU N . 50159 1
398 . 1 . 1 44 44 HIS CA C 13 55.900 0.000 . 1 . . . . . 44 HIS CA . 50159 1
399 . 1 . 1 44 44 HIS CB C 13 30.090 0.000 . 1 . . . . . 44 HIS CB . 50159 1
400 . 1 . 1 45 45 HIS H H 1 8.056 0.009 . 1 . . . . . 45 HIS H . 50159 1
401 . 1 . 1 45 45 HIS HA H 1 4.395 0.000 . 1 . . . . . 45 HIS HA . 50159 1
402 . 1 . 1 45 45 HIS HB2 H 1 3.061 0.000 . 2 . . . . . 45 HIS HB2 . 50159 1
403 . 1 . 1 45 45 HIS HB3 H 1 3.061 0.000 . 2 . . . . . 45 HIS HB3 . 50159 1
404 . 1 . 1 45 45 HIS CA C 13 57.140 0.000 . 1 . . . . . 45 HIS CA . 50159 1
405 . 1 . 1 45 45 HIS CB C 13 30.330 0.000 . 1 . . . . . 45 HIS CB . 50159 1
406 . 1 . 1 45 45 HIS N N 15 125.300 0.062 . 1 . . . . . 45 HIS N . 50159 1
stop_
save_