###################################
# 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 18082
_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' . . . 18082 1
2 '3D CBCA(CO)NH' . . . 18082 1
3 '3D HNCACB' . . . 18082 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 ALA HA H 1 4.186 0.050 . 1 . . . A 1 ALA HA . 18082 1
2 . 1 1 1 1 ALA HB1 H 1 1.345 0.014 . 1 . . . A 1 ALA HB1 . 18082 1
3 . 1 1 1 1 ALA HB2 H 1 1.345 0.014 . 1 . . . A 1 ALA HB2 . 18082 1
4 . 1 1 1 1 ALA HB3 H 1 1.345 0.014 . 1 . . . A 1 ALA HB3 . 18082 1
5 . 1 1 1 1 ALA H H 1 8.303 0.097 . 1 . . . A 1 ALA H1 . 18082 1
6 . 1 1 1 1 ALA CA C 13 53.208 0.168 . 1 . . . A 1 ALA CA . 18082 1
7 . 1 1 1 1 ALA CB C 13 19.032 0.038 . 1 . . . A 1 ALA CB . 18082 1
8 . 1 1 1 1 ALA N N 15 123.752 0.183 . 1 . . . A 1 ALA N . 18082 1
9 . 1 1 2 2 ASP H H 1 8.039 0.050 . 1 . . . A 2 ASP H . 18082 1
10 . 1 1 2 2 ASP HA H 1 4.521 0.050 . 1 . . . A 2 ASP HA . 18082 1
11 . 1 1 2 2 ASP HB2 H 1 2.655 0.050 . 1 . . . A 2 ASP HB2 . 18082 1
12 . 1 1 2 2 ASP HB3 H 1 2.655 0.050 . 1 . . . A 2 ASP HB3 . 18082 1
13 . 1 1 2 2 ASP CA C 13 55.014 0.032 . 1 . . . A 2 ASP CA . 18082 1
14 . 1 1 2 2 ASP CB C 13 40.955 0.010 . 1 . . . A 2 ASP CB . 18082 1
15 . 1 1 2 2 ASP N N 15 117.390 0.014 . 1 . . . A 2 ASP N . 18082 1
16 . 1 1 3 3 GLN H H 1 7.949 0.050 . 1 . . . A 3 GLN H . 18082 1
17 . 1 1 3 3 GLN HA H 1 4.357 0.050 . 1 . . . A 3 GLN HA . 18082 1
18 . 1 1 3 3 GLN HB2 H 1 2.059 0.050 . 1 . . . A 3 GLN HB2 . 18082 1
19 . 1 1 3 3 GLN HB3 H 1 2.059 0.050 . 1 . . . A 3 GLN HB3 . 18082 1
20 . 1 1 3 3 GLN CA C 13 55.636 0.065 . 1 . . . A 3 GLN CA . 18082 1
21 . 1 1 3 3 GLN CB C 13 29.695 0.014 . 1 . . . A 3 GLN CB . 18082 1
22 . 1 1 3 3 GLN N N 15 118.072 0.022 . 1 . . . A 3 GLN N . 18082 1
23 . 1 1 4 4 LEU H H 1 7.841 0.050 . 1 . . . A 4 LEU H . 18082 1
24 . 1 1 4 4 LEU HA H 1 4.692 0.008 . 1 . . . A 4 LEU HA . 18082 1
25 . 1 1 4 4 LEU HB2 H 1 1.755 0.008 . 2 . . . A 4 LEU HB2 . 18082 1
26 . 1 1 4 4 LEU HB3 H 1 1.509 0.007 . 2 . . . A 4 LEU HB3 . 18082 1
27 . 1 1 4 4 LEU CA C 13 54.358 0.065 . 1 . . . A 4 LEU CA . 18082 1
28 . 1 1 4 4 LEU CB C 13 43.712 0.014 . 1 . . . A 4 LEU CB . 18082 1
29 . 1 1 4 4 LEU N N 15 121.793 0.015 . 1 . . . A 4 LEU N . 18082 1
30 . 1 1 5 5 THR H H 1 8.625 0.050 . 1 . . . A 5 THR H . 18082 1
31 . 1 1 5 5 THR HA H 1 4.772 0.050 . 1 . . . A 5 THR HA . 18082 1
32 . 1 1 5 5 THR HB H 1 4.467 0.050 . 1 . . . A 5 THR HB . 18082 1
33 . 1 1 5 5 THR CA C 13 60.388 0.100 . 1 . . . A 5 THR CA . 18082 1
34 . 1 1 5 5 THR CB C 13 71.243 0.049 . 1 . . . A 5 THR CB . 18082 1
35 . 1 1 5 5 THR N N 15 112.587 0.017 . 1 . . . A 5 THR N . 18082 1
36 . 1 1 6 6 GLU H H 1 8.995 0.001 . 1 . . . A 6 GLU H . 18082 1
37 . 1 1 6 6 GLU HA H 1 3.976 0.050 . 1 . . . A 6 GLU HA . 18082 1
38 . 1 1 6 6 GLU HB2 H 1 2.058 0.050 . 1 . . . A 6 GLU HB2 . 18082 1
39 . 1 1 6 6 GLU HB3 H 1 2.058 0.050 . 1 . . . A 6 GLU HB3 . 18082 1
40 . 1 1 6 6 GLU CA C 13 60.180 0.001 . 1 . . . A 6 GLU CA . 18082 1
41 . 1 1 6 6 GLU CB C 13 29.285 0.015 . 1 . . . A 6 GLU CB . 18082 1
42 . 1 1 6 6 GLU N N 15 120.574 0.018 . 1 . . . A 6 GLU N . 18082 1
43 . 1 1 7 7 GLU H H 1 8.678 0.001 . 1 . . . A 7 GLU H . 18082 1
44 . 1 1 7 7 GLU HA H 1 4.063 0.050 . 1 . . . A 7 GLU HA . 18082 1
45 . 1 1 7 7 GLU HB2 H 1 2.015 0.050 . 1 . . . A 7 GLU HB2 . 18082 1
46 . 1 1 7 7 GLU HB3 H 1 2.015 0.050 . 1 . . . A 7 GLU HB3 . 18082 1
47 . 1 1 7 7 GLU CA C 13 60.062 0.055 . 1 . . . A 7 GLU CA . 18082 1
48 . 1 1 7 7 GLU CB C 13 29.198 0.100 . 1 . . . A 7 GLU CB . 18082 1
49 . 1 1 7 7 GLU N N 15 119.338 0.013 . 1 . . . A 7 GLU N . 18082 1
50 . 1 1 8 8 GLN H H 1 7.684 0.001 . 1 . . . A 8 GLN H . 18082 1
51 . 1 1 8 8 GLN HA H 1 3.874 0.050 . 1 . . . A 8 GLN HA . 18082 1
52 . 1 1 8 8 GLN HB2 H 1 2.373 0.050 . 2 . . . A 8 GLN HB2 . 18082 1
53 . 1 1 8 8 GLN HB3 H 1 1.603 0.050 . 2 . . . A 8 GLN HB3 . 18082 1
54 . 1 1 8 8 GLN CA C 13 58.626 0.045 . 1 . . . A 8 GLN CA . 18082 1
55 . 1 1 8 8 GLN CB C 13 29.201 0.007 . 1 . . . A 8 GLN CB . 18082 1
56 . 1 1 8 8 GLN N N 15 120.308 0.012 . 1 . . . A 8 GLN N . 18082 1
57 . 1 1 9 9 ILE H H 1 8.339 0.050 . 1 . . . A 9 ILE H . 18082 1
58 . 1 1 9 9 ILE HA H 1 3.675 0.003 . 1 . . . A 9 ILE HA . 18082 1
59 . 1 1 9 9 ILE HB H 1 1.973 0.050 . 1 . . . A 9 ILE HB . 18082 1
60 . 1 1 9 9 ILE CA C 13 66.241 0.018 . 1 . . . A 9 ILE CA . 18082 1
61 . 1 1 9 9 ILE CB C 13 37.702 0.018 . 1 . . . A 9 ILE CB . 18082 1
62 . 1 1 9 9 ILE N N 15 119.371 0.015 . 1 . . . A 9 ILE N . 18082 1
63 . 1 1 10 10 ALA H H 1 8.048 0.002 . 1 . . . A 10 ALA H . 18082 1
64 . 1 1 10 10 ALA HA H 1 4.118 0.050 . 1 . . . A 10 ALA HA . 18082 1
65 . 1 1 10 10 ALA HB1 H 1 1.521 0.013 . 1 . . . A 10 ALA HB1 . 18082 1
66 . 1 1 10 10 ALA HB2 H 1 1.521 0.013 . 1 . . . A 10 ALA HB2 . 18082 1
67 . 1 1 10 10 ALA HB3 H 1 1.521 0.013 . 1 . . . A 10 ALA HB3 . 18082 1
68 . 1 1 10 10 ALA CA C 13 55.648 0.040 . 1 . . . A 10 ALA CA . 18082 1
69 . 1 1 10 10 ALA CB C 13 17.908 0.019 . 1 . . . A 10 ALA CB . 18082 1
70 . 1 1 10 10 ALA N N 15 121.339 0.037 . 1 . . . A 10 ALA N . 18082 1
71 . 1 1 11 11 GLU H H 1 7.792 0.004 . 1 . . . A 11 GLU H . 18082 1
72 . 1 1 11 11 GLU HA H 1 4.187 0.050 . 1 . . . A 11 GLU HA . 18082 1
73 . 1 1 11 11 GLU HB2 H 1 2.024 0.050 . 1 . . . A 11 GLU HB2 . 18082 1
74 . 1 1 11 11 GLU HB3 H 1 2.024 0.050 . 1 . . . A 11 GLU HB3 . 18082 1
75 . 1 1 11 11 GLU CA C 13 59.577 0.002 . 1 . . . A 11 GLU CA . 18082 1
76 . 1 1 11 11 GLU CB C 13 29.306 0.009 . 1 . . . A 11 GLU CB . 18082 1
77 . 1 1 11 11 GLU CG C 13 36.554 0.100 . 1 . . . A 11 GLU CG . 18082 1
78 . 1 1 11 11 GLU N N 15 119.886 0.042 . 1 . . . A 11 GLU N . 18082 1
79 . 1 1 12 12 PHE H H 1 8.527 0.002 . 1 . . . A 12 PHE H . 18082 1
80 . 1 1 12 12 PHE HA H 1 5.011 0.004 . 1 . . . A 12 PHE HA . 18082 1
81 . 1 1 12 12 PHE HB2 H 1 3.478 0.050 . 1 . . . A 12 PHE HB2 . 18082 1
82 . 1 1 12 12 PHE HB3 H 1 3.478 0.050 . 1 . . . A 12 PHE HB3 . 18082 1
83 . 1 1 12 12 PHE CA C 13 59.173 0.041 . 1 . . . A 12 PHE CA . 18082 1
84 . 1 1 12 12 PHE CB C 13 37.617 0.001 . 1 . . . A 12 PHE CB . 18082 1
85 . 1 1 12 12 PHE N N 15 119.957 0.028 . 1 . . . A 12 PHE N . 18082 1
86 . 1 1 13 13 LYS H H 1 9.246 0.050 . 1 . . . A 13 LYS H . 18082 1
87 . 1 1 13 13 LYS HA H 1 4.015 0.050 . 1 . . . A 13 LYS HA . 18082 1
88 . 1 1 13 13 LYS HB2 H 1 1.930 0.050 . 1 . . . A 13 LYS HB2 . 18082 1
89 . 1 1 13 13 LYS HB3 H 1 1.930 0.050 . 1 . . . A 13 LYS HB3 . 18082 1
90 . 1 1 13 13 LYS CA C 13 60.169 0.047 . 1 . . . A 13 LYS CA . 18082 1
91 . 1 1 13 13 LYS CB C 13 31.986 0.007 . 1 . . . A 13 LYS CB . 18082 1
92 . 1 1 13 13 LYS N N 15 123.937 0.028 . 1 . . . A 13 LYS N . 18082 1
93 . 1 1 14 14 GLU H H 1 7.956 0.003 . 1 . . . A 14 GLU H . 18082 1
94 . 1 1 14 14 GLU HA H 1 4.130 0.050 . 1 . . . A 14 GLU HA . 18082 1
95 . 1 1 14 14 GLU HB2 H 1 2.241 0.015 . 1 . . . A 14 GLU HB2 . 18082 1
96 . 1 1 14 14 GLU HB3 H 1 2.241 0.015 . 1 . . . A 14 GLU HB3 . 18082 1
97 . 1 1 14 14 GLU CA C 13 59.653 0.028 . 1 . . . A 14 GLU CA . 18082 1
98 . 1 1 14 14 GLU CB C 13 29.125 0.133 . 1 . . . A 14 GLU CB . 18082 1
99 . 1 1 14 14 GLU CG C 13 36.345 0.072 . 1 . . . A 14 GLU CG . 18082 1
100 . 1 1 14 14 GLU N N 15 120.885 0.026 . 1 . . . A 14 GLU N . 18082 1
101 . 1 1 15 15 ALA H H 1 8.129 0.002 . 1 . . . A 15 ALA H . 18082 1
102 . 1 1 15 15 ALA HA H 1 4.257 0.050 . 1 . . . A 15 ALA HA . 18082 1
103 . 1 1 15 15 ALA HB1 H 1 2.045 0.004 . 1 . . . A 15 ALA HB1 . 18082 1
104 . 1 1 15 15 ALA HB2 H 1 2.045 0.004 . 1 . . . A 15 ALA HB2 . 18082 1
105 . 1 1 15 15 ALA HB3 H 1 2.045 0.004 . 1 . . . A 15 ALA HB3 . 18082 1
106 . 1 1 15 15 ALA CA C 13 55.565 0.015 . 1 . . . A 15 ALA CA . 18082 1
107 . 1 1 15 15 ALA CB C 13 18.237 0.039 . 1 . . . A 15 ALA CB . 18082 1
108 . 1 1 15 15 ALA N N 15 121.878 0.023 . 1 . . . A 15 ALA N . 18082 1
109 . 1 1 16 16 PHE H H 1 8.800 0.001 . 1 . . . A 16 PHE H . 18082 1
110 . 1 1 16 16 PHE HA H 1 3.326 0.050 . 1 . . . A 16 PHE HA . 18082 1
111 . 1 1 16 16 PHE HB2 H 1 3.006 0.050 . 1 . . . A 16 PHE HB2 . 18082 1
112 . 1 1 16 16 PHE HB3 H 1 3.006 0.050 . 1 . . . A 16 PHE HB3 . 18082 1
113 . 1 1 16 16 PHE CA C 13 62.270 0.047 . 1 . . . A 16 PHE CA . 18082 1
114 . 1 1 16 16 PHE CB C 13 39.695 0.056 . 1 . . . A 16 PHE CB . 18082 1
115 . 1 1 16 16 PHE N N 15 118.993 0.023 . 1 . . . A 16 PHE N . 18082 1
116 . 1 1 17 17 SER H H 1 8.062 0.001 . 1 . . . A 17 SER H . 18082 1
117 . 1 1 17 17 SER HA H 1 4.166 0.050 . 1 . . . A 17 SER HA . 18082 1
118 . 1 1 17 17 SER HB2 H 1 4.038 0.050 . 1 . . . A 17 SER HB2 . 18082 1
119 . 1 1 17 17 SER HB3 H 1 4.038 0.050 . 1 . . . A 17 SER HB3 . 18082 1
120 . 1 1 17 17 SER CA C 13 61.564 0.043 . 1 . . . A 17 SER CA . 18082 1
121 . 1 1 17 17 SER CB C 13 63.457 0.012 . 1 . . . A 17 SER CB . 18082 1
122 . 1 1 17 17 SER N N 15 113.609 0.027 . 1 . . . A 17 SER N . 18082 1
123 . 1 1 18 18 LEU H H 1 7.452 0.001 . 1 . . . A 18 LEU H . 18082 1
124 . 1 1 18 18 LEU HA H 1 4.005 0.004 . 1 . . . A 18 LEU HA . 18082 1
125 . 1 1 18 18 LEU HB2 H 1 1.824 0.001 . 2 . . . A 18 LEU HB2 . 18082 1
126 . 1 1 18 18 LEU HB3 H 1 1.416 0.050 . 2 . . . A 18 LEU HB3 . 18082 1
127 . 1 1 18 18 LEU CA C 13 57.028 0.097 . 1 . . . A 18 LEU CA . 18082 1
128 . 1 1 18 18 LEU CB C 13 41.523 0.051 . 1 . . . A 18 LEU CB . 18082 1
129 . 1 1 18 18 LEU N N 15 120.325 0.014 . 1 . . . A 18 LEU N . 18082 1
130 . 1 1 19 19 PHE H H 1 7.187 0.001 . 1 . . . A 19 PHE H . 18082 1
131 . 1 1 19 19 PHE HA H 1 4.245 0.050 . 1 . . . A 19 PHE HA . 18082 1
132 . 1 1 19 19 PHE HB2 H 1 2.760 0.050 . 1 . . . A 19 PHE HB2 . 18082 1
133 . 1 1 19 19 PHE HB3 H 1 2.760 0.050 . 1 . . . A 19 PHE HB3 . 18082 1
134 . 1 1 19 19 PHE CA C 13 59.530 0.020 . 1 . . . A 19 PHE CA . 18082 1
135 . 1 1 19 19 PHE CB C 13 41.928 0.015 . 1 . . . A 19 PHE CB . 18082 1
136 . 1 1 19 19 PHE N N 15 113.738 0.039 . 1 . . . A 19 PHE N . 18082 1
137 . 1 1 20 20 ASP H H 1 7.733 0.001 . 1 . . . A 20 ASP H . 18082 1
138 . 1 1 20 20 ASP HA H 1 4.565 0.050 . 1 . . . A 20 ASP HA . 18082 1
139 . 1 1 20 20 ASP HB2 H 1 2.329 0.005 . 2 . . . A 20 ASP HB2 . 18082 1
140 . 1 1 20 20 ASP HB3 H 1 1.501 0.005 . 2 . . . A 20 ASP HB3 . 18082 1
141 . 1 1 20 20 ASP CA C 13 52.488 0.038 . 1 . . . A 20 ASP CA . 18082 1
142 . 1 1 20 20 ASP CB C 13 39.280 0.011 . 1 . . . A 20 ASP CB . 18082 1
143 . 1 1 20 20 ASP N N 15 116.566 0.017 . 1 . . . A 20 ASP N . 18082 1
144 . 1 1 21 21 LYS H H 1 7.668 0.050 . 1 . . . A 21 LYS H . 18082 1
145 . 1 1 21 21 LYS HA H 1 3.987 0.050 . 1 . . . A 21 LYS HA . 18082 1
146 . 1 1 21 21 LYS HB2 H 1 1.917 0.050 . 1 . . . A 21 LYS HB2 . 18082 1
147 . 1 1 21 21 LYS HB3 H 1 1.917 0.050 . 1 . . . A 21 LYS HB3 . 18082 1
148 . 1 1 21 21 LYS CA C 13 58.353 0.004 . 1 . . . A 21 LYS CA . 18082 1
149 . 1 1 21 21 LYS CB C 13 32.514 0.007 . 1 . . . A 21 LYS CB . 18082 1
150 . 1 1 21 21 LYS N N 15 124.387 0.024 . 1 . . . A 21 LYS N . 18082 1
151 . 1 1 22 22 ASP H H 1 8.135 0.050 . 1 . . . A 22 ASP H . 18082 1
152 . 1 1 22 22 ASP HA H 1 4.594 0.050 . 1 . . . A 22 ASP HA . 18082 1
153 . 1 1 22 22 ASP HB2 H 1 3.074 0.050 . 2 . . . A 22 ASP HB2 . 18082 1
154 . 1 1 22 22 ASP HB3 H 1 2.613 0.050 . 2 . . . A 22 ASP HB3 . 18082 1
155 . 1 1 22 22 ASP CA C 13 52.934 0.016 . 1 . . . A 22 ASP CA . 18082 1
156 . 1 1 22 22 ASP CB C 13 39.645 0.014 . 1 . . . A 22 ASP CB . 18082 1
157 . 1 1 22 22 ASP N N 15 114.142 0.025 . 1 . . . A 22 ASP N . 18082 1
158 . 1 1 23 23 GLY H H 1 7.683 0.001 . 1 . . . A 23 GLY H . 18082 1
159 . 1 1 23 23 GLY HA2 H 1 3.891 0.050 . 1 . . . A 23 GLY HA2 . 18082 1
160 . 1 1 23 23 GLY HA3 H 1 3.891 0.050 . 1 . . . A 23 GLY HA3 . 18082 1
161 . 1 1 23 23 GLY CA C 13 47.308 0.006 . 1 . . . A 23 GLY CA . 18082 1
162 . 1 1 23 23 GLY N N 15 109.286 0.026 . 1 . . . A 23 GLY N . 18082 1
163 . 1 1 24 24 ASP H H 1 8.477 0.050 . 1 . . . A 24 ASP H . 18082 1
164 . 1 1 24 24 ASP HA H 1 4.525 0.050 . 1 . . . A 24 ASP HA . 18082 1
165 . 1 1 24 24 ASP HB2 H 1 3.047 0.050 . 2 . . . A 24 ASP HB2 . 18082 1
166 . 1 1 24 24 ASP HB3 H 1 2.478 0.050 . 2 . . . A 24 ASP HB3 . 18082 1
167 . 1 1 24 24 ASP CA C 13 53.891 0.049 . 1 . . . A 24 ASP CA . 18082 1
168 . 1 1 24 24 ASP CB C 13 40.513 0.100 . 1 . . . A 24 ASP CB . 18082 1
169 . 1 1 24 24 ASP N N 15 120.949 0.025 . 1 . . . A 24 ASP N . 18082 1
170 . 1 1 25 25 GLY H H 1 10.567 0.050 . 1 . . . A 25 GLY H . 18082 1
171 . 1 1 25 25 GLY HA2 H 1 4.412 0.050 . 2 . . . A 25 GLY HA2 . 18082 1
172 . 1 1 25 25 GLY HA3 H 1 3.738 0.050 . 2 . . . A 25 GLY HA3 . 18082 1
173 . 1 1 25 25 GLY CA C 13 45.496 0.001 . 1 . . . A 25 GLY CA . 18082 1
174 . 1 1 25 25 GLY N N 15 112.905 0.015 . 1 . . . A 25 GLY N . 18082 1
175 . 1 1 26 26 THR H H 1 8.238 0.050 . 1 . . . A 26 THR H . 18082 1
176 . 1 1 26 26 THR HA H 1 5.421 0.001 . 1 . . . A 26 THR HA . 18082 1
177 . 1 1 26 26 THR HB H 1 3.878 0.050 . 1 . . . A 26 THR HB . 18082 1
178 . 1 1 26 26 THR CA C 13 59.692 0.009 . 1 . . . A 26 THR CA . 18082 1
179 . 1 1 26 26 THR CB C 13 72.792 0.028 . 1 . . . A 26 THR CB . 18082 1
180 . 1 1 26 26 THR N N 15 112.165 0.023 . 1 . . . A 26 THR N . 18082 1
181 . 1 1 27 27 ILE H H 1 9.970 0.001 . 1 . . . A 27 ILE H . 18082 1
182 . 1 1 27 27 ILE HA H 1 4.846 0.003 . 1 . . . A 27 ILE HA . 18082 1
183 . 1 1 27 27 ILE HB H 1 1.856 0.004 . 1 . . . A 27 ILE HB . 18082 1
184 . 1 1 27 27 ILE CA C 13 61.302 0.026 . 1 . . . A 27 ILE CA . 18082 1
185 . 1 1 27 27 ILE CB C 13 40.312 0.043 . 1 . . . A 27 ILE CB . 18082 1
186 . 1 1 27 27 ILE N N 15 126.801 0.032 . 1 . . . A 27 ILE N . 18082 1
187 . 1 1 28 28 THR H H 1 8.356 0.050 . 1 . . . A 28 THR H . 18082 1
188 . 1 1 28 28 THR HA H 1 4.921 0.034 . 1 . . . A 28 THR HA . 18082 1
189 . 1 1 28 28 THR HB H 1 4.818 0.002 . 1 . . . A 28 THR HB . 18082 1
190 . 1 1 28 28 THR CA C 13 59.359 0.034 . 1 . . . A 28 THR CA . 18082 1
191 . 1 1 28 28 THR CB C 13 72.614 0.036 . 1 . . . A 28 THR CB . 18082 1
192 . 1 1 28 28 THR N N 15 116.315 0.019 . 1 . . . A 28 THR N . 18082 1
193 . 1 1 29 29 THR H H 1 9.115 0.001 . 1 . . . A 29 THR H . 18082 1
194 . 1 1 29 29 THR HA H 1 3.748 0.002 . 1 . . . A 29 THR HA . 18082 1
195 . 1 1 29 29 THR HB H 1 4.184 0.050 . 1 . . . A 29 THR HB . 18082 1
196 . 1 1 29 29 THR CA C 13 66.445 0.021 . 1 . . . A 29 THR CA . 18082 1
197 . 1 1 29 29 THR CB C 13 68.069 0.026 . 1 . . . A 29 THR CB . 18082 1
198 . 1 1 29 29 THR N N 15 113.124 0.017 . 1 . . . A 29 THR N . 18082 1
199 . 1 1 30 30 LYS H H 1 7.639 0.050 . 1 . . . A 30 LYS H . 18082 1
200 . 1 1 30 30 LYS HA H 1 4.106 0.050 . 1 . . . A 30 LYS HA . 18082 1
201 . 1 1 30 30 LYS HB2 H 1 1.834 0.050 . 1 . . . A 30 LYS HB2 . 18082 1
202 . 1 1 30 30 LYS HB3 H 1 1.834 0.050 . 1 . . . A 30 LYS HB3 . 18082 1
203 . 1 1 30 30 LYS CA C 13 59.216 0.022 . 1 . . . A 30 LYS CA . 18082 1
204 . 1 1 30 30 LYS CB C 13 32.546 0.001 . 1 . . . A 30 LYS CB . 18082 1
205 . 1 1 30 30 LYS N N 15 120.485 0.026 . 1 . . . A 30 LYS N . 18082 1
206 . 1 1 31 31 GLU H H 1 7.693 0.050 . 1 . . . A 31 GLU H . 18082 1
207 . 1 1 31 31 GLU HA H 1 4.003 0.050 . 1 . . . A 31 GLU HA . 18082 1
208 . 1 1 31 31 GLU HB2 H 1 2.766 0.050 . 2 . . . A 31 GLU HB2 . 18082 1
209 . 1 1 31 31 GLU HB3 H 1 2.402 0.050 . 2 . . . A 31 GLU HB3 . 18082 1
210 . 1 1 31 31 GLU CA C 13 59.642 0.036 . 1 . . . A 31 GLU CA . 18082 1
211 . 1 1 31 31 GLU CB C 13 29.605 0.033 . 1 . . . A 31 GLU CB . 18082 1
212 . 1 1 31 31 GLU N N 15 121.786 0.016 . 1 . . . A 31 GLU N . 18082 1
213 . 1 1 32 32 LEU H H 1 8.585 0.001 . 1 . . . A 32 LEU H . 18082 1
214 . 1 1 32 32 LEU HA H 1 4.093 0.003 . 1 . . . A 32 LEU HA . 18082 1
215 . 1 1 32 32 LEU HB2 H 1 1.812 0.001 . 2 . . . A 32 LEU HB2 . 18082 1
216 . 1 1 32 32 LEU HB3 H 1 1.239 0.008 . 2 . . . A 32 LEU HB3 . 18082 1
217 . 1 1 32 32 LEU CA C 13 58.340 0.057 . 1 . . . A 32 LEU CA . 18082 1
218 . 1 1 32 32 LEU CB C 13 42.173 0.017 . 1 . . . A 32 LEU CB . 18082 1
219 . 1 1 32 32 LEU N N 15 120.699 0.016 . 1 . . . A 32 LEU N . 18082 1
220 . 1 1 33 33 GLY H H 1 8.715 0.001 . 1 . . . A 33 GLY H . 18082 1
221 . 1 1 33 33 GLY HA2 H 1 3.936 0.050 . 2 . . . A 33 GLY HA2 . 18082 1
222 . 1 1 33 33 GLY HA3 H 1 3.498 0.050 . 2 . . . A 33 GLY HA3 . 18082 1
223 . 1 1 33 33 GLY CA C 13 48.681 0.045 . 1 . . . A 33 GLY CA . 18082 1
224 . 1 1 33 33 GLY N N 15 106.061 0.021 . 1 . . . A 33 GLY N . 18082 1
225 . 1 1 34 34 THR H H 1 7.947 0.050 . 1 . . . A 34 THR H . 18082 1
226 . 1 1 34 34 THR HA H 1 3.929 0.003 . 1 . . . A 34 THR HA . 18082 1
227 . 1 1 34 34 THR HB H 1 4.362 0.003 . 1 . . . A 34 THR HB . 18082 1
228 . 1 1 34 34 THR CA C 13 66.961 0.102 . 1 . . . A 34 THR CA . 18082 1
229 . 1 1 34 34 THR CB C 13 68.764 0.027 . 1 . . . A 34 THR CB . 18082 1
230 . 1 1 34 34 THR N N 15 118.195 0.011 . 1 . . . A 34 THR N . 18082 1
231 . 1 1 35 35 VAL H H 1 7.760 0.006 . 1 . . . A 35 VAL H . 18082 1
232 . 1 1 35 35 VAL HA H 1 3.609 0.006 . 1 . . . A 35 VAL HA . 18082 1
233 . 1 1 35 35 VAL HB H 1 2.056 0.050 . 1 . . . A 35 VAL HB . 18082 1
234 . 1 1 35 35 VAL CA C 13 66.554 0.033 . 1 . . . A 35 VAL CA . 18082 1
235 . 1 1 35 35 VAL CB C 13 31.479 0.016 . 1 . . . A 35 VAL CB . 18082 1
236 . 1 1 35 35 VAL N N 15 122.412 0.041 . 1 . . . A 35 VAL N . 18082 1
237 . 1 1 36 36 MET H H 1 8.583 0.001 . 1 . . . A 36 MET H . 18082 1
238 . 1 1 36 36 MET HA H 1 4.104 0.001 . 1 . . . A 36 MET HA . 18082 1
239 . 1 1 36 36 MET HB2 H 1 2.026 0.050 . 1 . . . A 36 MET HB2 . 18082 1
240 . 1 1 36 36 MET HB3 H 1 2.026 0.050 . 1 . . . A 36 MET HB3 . 18082 1
241 . 1 1 36 36 MET CA C 13 58.532 0.027 . 1 . . . A 36 MET CA . 18082 1
242 . 1 1 36 36 MET CB C 13 30.782 0.054 . 1 . . . A 36 MET CB . 18082 1
243 . 1 1 36 36 MET N N 15 118.407 0.024 . 1 . . . A 36 MET N . 18082 1
244 . 1 1 37 37 ARG H H 1 8.499 0.001 . 1 . . . A 37 ARG H . 18082 1
245 . 1 1 37 37 ARG HA H 1 4.789 0.050 . 1 . . . A 37 ARG HA . 18082 1
246 . 1 1 37 37 ARG HB2 H 1 1.947 0.050 . 1 . . . A 37 ARG HB2 . 18082 1
247 . 1 1 37 37 ARG HB3 H 1 1.947 0.050 . 1 . . . A 37 ARG HB3 . 18082 1
248 . 1 1 37 37 ARG CA C 13 59.141 0.100 . 1 . . . A 37 ARG CA . 18082 1
249 . 1 1 37 37 ARG CB C 13 30.019 0.098 . 1 . . . A 37 ARG CB . 18082 1
250 . 1 1 37 37 ARG N N 15 119.070 0.032 . 1 . . . A 37 ARG N . 18082 1
251 . 1 1 38 38 SER H H 1 7.965 0.001 . 1 . . . A 38 SER H . 18082 1
252 . 1 1 38 38 SER HA H 1 4.417 0.050 . 1 . . . A 38 SER HA . 18082 1
253 . 1 1 38 38 SER HB2 H 1 4.082 0.050 . 1 . . . A 38 SER HB2 . 18082 1
254 . 1 1 38 38 SER HB3 H 1 4.082 0.050 . 1 . . . A 38 SER HB3 . 18082 1
255 . 1 1 38 38 SER CA C 13 61.450 0.021 . 1 . . . A 38 SER CA . 18082 1
256 . 1 1 38 38 SER CB C 13 62.846 0.105 . 1 . . . A 38 SER CB . 18082 1
257 . 1 1 38 38 SER N N 15 118.897 0.018 . 1 . . . A 38 SER N . 18082 1
258 . 1 1 39 39 LEU H H 1 7.387 0.050 . 1 . . . A 39 LEU H . 18082 1
259 . 1 1 39 39 LEU HA H 1 4.489 0.005 . 1 . . . A 39 LEU HA . 18082 1
260 . 1 1 39 39 LEU HB2 H 1 1.876 0.014 . 1 . . . A 39 LEU HB2 . 18082 1
261 . 1 1 39 39 LEU HB3 H 1 1.876 0.014 . 1 . . . A 39 LEU HB3 . 18082 1
262 . 1 1 39 39 LEU CA C 13 54.576 0.030 . 1 . . . A 39 LEU CA . 18082 1
263 . 1 1 39 39 LEU CB C 13 41.963 0.024 . 1 . . . A 39 LEU CB . 18082 1
264 . 1 1 39 39 LEU N N 15 120.765 0.015 . 1 . . . A 39 LEU N . 18082 1
265 . 1 1 40 40 GLY H H 1 7.889 0.050 . 1 . . . A 40 GLY H . 18082 1
266 . 1 1 40 40 GLY HA2 H 1 4.253 0.050 . 2 . . . A 40 GLY HA2 . 18082 1
267 . 1 1 40 40 GLY HA3 H 1 3.796 0.050 . 2 . . . A 40 GLY HA3 . 18082 1
268 . 1 1 40 40 GLY CA C 13 45.637 0.020 . 1 . . . A 40 GLY CA . 18082 1
269 . 1 1 40 40 GLY N N 15 107.022 0.030 . 1 . . . A 40 GLY N . 18082 1
270 . 1 1 41 41 GLN H H 1 7.747 0.001 . 1 . . . A 41 GLN H . 18082 1
271 . 1 1 41 41 GLN HA H 1 4.495 0.050 . 1 . . . A 41 GLN HA . 18082 1
272 . 1 1 41 41 GLN HB2 H 1 2.126 0.050 . 2 . . . A 41 GLN HB2 . 18082 1
273 . 1 1 41 41 GLN HB3 H 1 1.604 0.050 . 2 . . . A 41 GLN HB3 . 18082 1
274 . 1 1 41 41 GLN CA C 13 54.440 0.066 . 1 . . . A 41 GLN CA . 18082 1
275 . 1 1 41 41 GLN CB C 13 30.703 0.023 . 1 . . . A 41 GLN CB . 18082 1
276 . 1 1 41 41 GLN N N 15 118.231 0.008 . 1 . . . A 41 GLN N . 18082 1
277 . 1 1 42 42 ASN H H 1 8.663 0.050 . 1 . . . A 42 ASN H . 18082 1
278 . 1 1 42 42 ASN CA C 13 51.308 0.100 . 1 . . . A 42 ASN CA . 18082 1
279 . 1 1 42 42 ASN CB C 13 39.272 0.100 . 1 . . . A 42 ASN CB . 18082 1
280 . 1 1 42 42 ASN N N 15 116.416 0.014 . 1 . . . A 42 ASN N . 18082 1
281 . 1 1 43 43 PRO HA H 1 4.742 0.050 . 1 . . . A 43 PRO HA . 18082 1
282 . 1 1 43 43 PRO HB2 H 1 2.119 0.050 . 2 . . . A 43 PRO HB2 . 18082 1
283 . 1 1 43 43 PRO HB3 H 1 1.933 0.050 . 2 . . . A 43 PRO HB3 . 18082 1
284 . 1 1 43 43 PRO CA C 13 62.393 0.100 . 1 . . . A 43 PRO CA . 18082 1
285 . 1 1 43 43 PRO CB C 13 31.969 0.100 . 1 . . . A 43 PRO CB . 18082 1
286 . 1 1 44 44 THR H H 1 8.790 0.002 . 1 . . . A 44 THR H . 18082 1
287 . 1 1 44 44 THR HA H 1 4.723 0.050 . 1 . . . A 44 THR HA . 18082 1
288 . 1 1 44 44 THR HB H 1 4.414 0.050 . 1 . . . A 44 THR HB . 18082 1
289 . 1 1 44 44 THR CA C 13 60.656 0.024 . 1 . . . A 44 THR CA . 18082 1
290 . 1 1 44 44 THR CB C 13 71.220 0.036 . 1 . . . A 44 THR CB . 18082 1
291 . 1 1 44 44 THR N N 15 112.768 0.034 . 1 . . . A 44 THR N . 18082 1
292 . 1 1 45 45 GLU H H 1 8.771 0.002 . 1 . . . A 45 GLU H . 18082 1
293 . 1 1 45 45 GLU HA H 1 3.970 0.050 . 1 . . . A 45 GLU HA . 18082 1
294 . 1 1 45 45 GLU HB2 H 1 2.052 0.050 . 1 . . . A 45 GLU HB2 . 18082 1
295 . 1 1 45 45 GLU HB3 H 1 2.052 0.050 . 1 . . . A 45 GLU HB3 . 18082 1
296 . 1 1 45 45 GLU CA C 13 60.178 0.014 . 1 . . . A 45 GLU CA . 18082 1
297 . 1 1 45 45 GLU CB C 13 29.056 0.023 . 1 . . . A 45 GLU CB . 18082 1
298 . 1 1 45 45 GLU N N 15 120.454 0.029 . 1 . . . A 45 GLU N . 18082 1
299 . 1 1 46 46 ALA H H 1 8.187 0.050 . 1 . . . A 46 ALA H . 18082 1
300 . 1 1 46 46 ALA HA H 1 4.105 0.050 . 1 . . . A 46 ALA HA . 18082 1
301 . 1 1 46 46 ALA HB1 H 1 1.391 0.004 . 1 . . . A 46 ALA HB1 . 18082 1
302 . 1 1 46 46 ALA HB2 H 1 1.391 0.004 . 1 . . . A 46 ALA HB2 . 18082 1
303 . 1 1 46 46 ALA HB3 H 1 1.391 0.004 . 1 . . . A 46 ALA HB3 . 18082 1
304 . 1 1 46 46 ALA CA C 13 55.119 0.014 . 1 . . . A 46 ALA CA . 18082 1
305 . 1 1 46 46 ALA CB C 13 18.275 0.027 . 1 . . . A 46 ALA CB . 18082 1
306 . 1 1 46 46 ALA N N 15 120.779 0.017 . 1 . . . A 46 ALA N . 18082 1
307 . 1 1 47 47 GLU H H 1 7.628 0.050 . 1 . . . A 47 GLU H . 18082 1
308 . 1 1 47 47 GLU HA H 1 3.988 0.050 . 1 . . . A 47 GLU HA . 18082 1
309 . 1 1 47 47 GLU HB2 H 1 2.321 0.050 . 2 . . . A 47 GLU HB2 . 18082 1
310 . 1 1 47 47 GLU HB3 H 1 1.823 0.050 . 2 . . . A 47 GLU HB3 . 18082 1
311 . 1 1 47 47 GLU CA C 13 59.179 0.025 . 1 . . . A 47 GLU CA . 18082 1
312 . 1 1 47 47 GLU CB C 13 29.871 0.002 . 1 . . . A 47 GLU CB . 18082 1
313 . 1 1 47 47 GLU N N 15 118.876 0.015 . 1 . . . A 47 GLU N . 18082 1
314 . 1 1 48 48 LEU H H 1 8.104 0.001 . 1 . . . A 48 LEU H . 18082 1
315 . 1 1 48 48 LEU HA H 1 3.952 0.008 . 1 . . . A 48 LEU HA . 18082 1
316 . 1 1 48 48 LEU HB2 H 1 2.037 0.006 . 2 . . . A 48 LEU HB2 . 18082 1
317 . 1 1 48 48 LEU HB3 H 1 1.167 0.004 . 2 . . . A 48 LEU HB3 . 18082 1
318 . 1 1 48 48 LEU CA C 13 57.831 0.047 . 1 . . . A 48 LEU CA . 18082 1
319 . 1 1 48 48 LEU CB C 13 42.435 0.028 . 1 . . . A 48 LEU CB . 18082 1
320 . 1 1 48 48 LEU N N 15 119.668 0.017 . 1 . . . A 48 LEU N . 18082 1
321 . 1 1 49 49 GLN H H 1 8.168 0.001 . 1 . . . A 49 GLN H . 18082 1
322 . 1 1 49 49 GLN HA H 1 3.851 0.050 . 1 . . . A 49 GLN HA . 18082 1
323 . 1 1 49 49 GLN HB2 H 1 2.217 0.050 . 2 . . . A 49 GLN HB2 . 18082 1
324 . 1 1 49 49 GLN HB3 H 1 2.170 0.050 . 1 . . . A 49 GLN HB3 . 18082 1
325 . 1 1 49 49 GLN CA C 13 58.616 0.081 . 1 . . . A 49 GLN CA . 18082 1
326 . 1 1 49 49 GLN CB C 13 28.202 0.031 . 1 . . . A 49 GLN CB . 18082 1
327 . 1 1 49 49 GLN N N 15 118.133 0.035 . 1 . . . A 49 GLN N . 18082 1
328 . 1 1 50 50 ASP H H 1 8.053 0.050 . 1 . . . A 50 ASP H . 18082 1
329 . 1 1 50 50 ASP HA H 1 4.459 0.003 . 1 . . . A 50 ASP HA . 18082 1
330 . 1 1 50 50 ASP HB2 H 1 2.831 0.050 . 2 . . . A 50 ASP HB2 . 18082 1
331 . 1 1 50 50 ASP HB3 H 1 2.728 0.050 . 2 . . . A 50 ASP HB3 . 18082 1
332 . 1 1 50 50 ASP CA C 13 57.787 0.060 . 1 . . . A 50 ASP CA . 18082 1
333 . 1 1 50 50 ASP CB C 13 40.475 0.007 . 1 . . . A 50 ASP CB . 18082 1
334 . 1 1 50 50 ASP N N 15 120.259 0.013 . 1 . . . A 50 ASP N . 18082 1
335 . 1 1 51 51 MET H H 1 7.948 0.002 . 1 . . . A 51 MET H . 18082 1
336 . 1 1 51 51 MET HA H 1 4.095 0.050 . 1 . . . A 51 MET HA . 18082 1
337 . 1 1 51 51 MET HB2 H 1 2.134 0.050 . 1 . . . A 51 MET HB2 . 18082 1
338 . 1 1 51 51 MET HB3 H 1 2.134 0.050 . 1 . . . A 51 MET HB3 . 18082 1
339 . 1 1 51 51 MET CA C 13 60.031 0.076 . 1 . . . A 51 MET CA . 18082 1
340 . 1 1 51 51 MET CB C 13 33.629 0.056 . 1 . . . A 51 MET CB . 18082 1
341 . 1 1 51 51 MET N N 15 119.290 0.034 . 1 . . . A 51 MET N . 18082 1
342 . 1 1 52 52 ILE H H 1 7.793 0.001 . 1 . . . A 52 ILE H . 18082 1
343 . 1 1 52 52 ILE HA H 1 3.942 0.009 . 1 . . . A 52 ILE HA . 18082 1
344 . 1 1 52 52 ILE HB H 1 2.130 0.050 . 1 . . . A 52 ILE HB . 18082 1
345 . 1 1 52 52 ILE CA C 13 63.568 0.022 . 1 . . . A 52 ILE CA . 18082 1
346 . 1 1 52 52 ILE CB C 13 36.623 0.023 . 1 . . . A 52 ILE CB . 18082 1
347 . 1 1 52 52 ILE N N 15 119.018 0.024 . 1 . . . A 52 ILE N . 18082 1
348 . 1 1 53 53 ASN H H 1 8.853 0.001 . 1 . . . A 53 ASN H . 18082 1
349 . 1 1 53 53 ASN HA H 1 4.427 0.050 . 1 . . . A 53 ASN HA . 18082 1
350 . 1 1 53 53 ASN HB2 H 1 2.985 0.050 . 1 . . . A 53 ASN HB2 . 18082 1
351 . 1 1 53 53 ASN HB3 H 1 2.985 0.050 . 1 . . . A 53 ASN HB3 . 18082 1
352 . 1 1 53 53 ASN CA C 13 56.145 0.007 . 1 . . . A 53 ASN CA . 18082 1
353 . 1 1 53 53 ASN CB C 13 38.100 0.001 . 1 . . . A 53 ASN CB . 18082 1
354 . 1 1 53 53 ASN N N 15 118.406 0.013 . 1 . . . A 53 ASN N . 18082 1
355 . 1 1 54 54 GLU H H 1 7.723 0.001 . 1 . . . A 54 GLU H . 18082 1
356 . 1 1 54 54 GLU HA H 1 4.064 0.001 . 1 . . . A 54 GLU HA . 18082 1
357 . 1 1 54 54 GLU HB2 H 1 2.165 0.006 . 1 . . . A 54 GLU HB2 . 18082 1
358 . 1 1 54 54 GLU HB3 H 1 2.165 0.006 . 1 . . . A 54 GLU HB3 . 18082 1
359 . 1 1 54 54 GLU CA C 13 59.025 0.010 . 1 . . . A 54 GLU CA . 18082 1
360 . 1 1 54 54 GLU CB C 13 30.347 0.018 . 1 . . . A 54 GLU CB . 18082 1
361 . 1 1 54 54 GLU N N 15 116.393 0.022 . 1 . . . A 54 GLU N . 18082 1
362 . 1 1 55 55 VAL H H 1 7.154 0.002 . 1 . . . A 55 VAL H . 18082 1
363 . 1 1 55 55 VAL HA H 1 4.206 0.050 . 1 . . . A 55 VAL HA . 18082 1
364 . 1 1 55 55 VAL HB H 1 2.084 0.050 . 1 . . . A 55 VAL HB . 18082 1
365 . 1 1 55 55 VAL CA C 13 60.952 0.007 . 1 . . . A 55 VAL CA . 18082 1
366 . 1 1 55 55 VAL CB C 13 33.117 0.024 . 1 . . . A 55 VAL CB . 18082 1
367 . 1 1 55 55 VAL N N 15 112.052 0.018 . 1 . . . A 55 VAL N . 18082 1
368 . 1 1 56 56 ASP H H 1 7.652 0.001 . 1 . . . A 56 ASP H . 18082 1
369 . 1 1 56 56 ASP HA H 1 4.483 0.050 . 1 . . . A 56 ASP HA . 18082 1
370 . 1 1 56 56 ASP HB2 H 1 2.786 0.050 . 2 . . . A 56 ASP HB2 . 18082 1
371 . 1 1 56 56 ASP HB3 H 1 2.583 0.050 . 2 . . . A 56 ASP HB3 . 18082 1
372 . 1 1 56 56 ASP CA C 13 53.871 0.030 . 1 . . . A 56 ASP CA . 18082 1
373 . 1 1 56 56 ASP CB C 13 40.414 0.002 . 1 . . . A 56 ASP CB . 18082 1
374 . 1 1 56 56 ASP N N 15 121.462 0.028 . 1 . . . A 56 ASP N . 18082 1
375 . 1 1 57 57 ALA H H 1 8.067 0.001 . 1 . . . A 57 ALA H . 18082 1
376 . 1 1 57 57 ALA HA H 1 4.216 0.050 . 1 . . . A 57 ALA HA . 18082 1
377 . 1 1 57 57 ALA HB1 H 1 1.527 0.012 . 1 . . . A 57 ALA HB1 . 18082 1
378 . 1 1 57 57 ALA HB2 H 1 1.527 0.012 . 1 . . . A 57 ALA HB2 . 18082 1
379 . 1 1 57 57 ALA HB3 H 1 1.527 0.012 . 1 . . . A 57 ALA HB3 . 18082 1
380 . 1 1 57 57 ALA CA C 13 54.533 0.084 . 1 . . . A 57 ALA CA . 18082 1
381 . 1 1 57 57 ALA CB C 13 19.810 0.020 . 1 . . . A 57 ALA CB . 18082 1
382 . 1 1 57 57 ALA N N 15 131.294 0.017 . 1 . . . A 57 ALA N . 18082 1
383 . 1 1 58 58 ASP H H 1 8.236 0.050 . 1 . . . A 58 ASP H . 18082 1
384 . 1 1 58 58 ASP HA H 1 4.652 0.050 . 1 . . . A 58 ASP HA . 18082 1
385 . 1 1 58 58 ASP HB2 H 1 3.055 0.050 . 2 . . . A 58 ASP HB2 . 18082 1
386 . 1 1 58 58 ASP HB3 H 1 2.687 0.050 . 2 . . . A 58 ASP HB3 . 18082 1
387 . 1 1 58 58 ASP CA C 13 52.885 0.005 . 1 . . . A 58 ASP CA . 18082 1
388 . 1 1 58 58 ASP CB C 13 39.916 0.003 . 1 . . . A 58 ASP CB . 18082 1
389 . 1 1 58 58 ASP N N 15 113.873 0.019 . 1 . . . A 58 ASP N . 18082 1
390 . 1 1 59 59 GLY H H 1 7.574 0.050 . 1 . . . A 59 GLY H . 18082 1
391 . 1 1 59 59 GLY HA2 H 1 3.848 0.050 . 1 . . . A 59 GLY HA2 . 18082 1
392 . 1 1 59 59 GLY HA3 H 1 3.848 0.050 . 1 . . . A 59 GLY HA3 . 18082 1
393 . 1 1 59 59 GLY CA C 13 47.252 0.005 . 1 . . . A 59 GLY CA . 18082 1
394 . 1 1 59 59 GLY N N 15 108.338 0.030 . 1 . . . A 59 GLY N . 18082 1
395 . 1 1 60 60 ASN H H 1 8.167 0.050 . 1 . . . A 60 ASN H . 18082 1
396 . 1 1 60 60 ASN HA H 1 4.628 0.050 . 1 . . . A 60 ASN HA . 18082 1
397 . 1 1 60 60 ASN HB2 H 1 3.329 0.050 . 2 . . . A 60 ASN HB2 . 18082 1
398 . 1 1 60 60 ASN HB3 H 1 2.654 0.050 . 2 . . . A 60 ASN HB3 . 18082 1
399 . 1 1 60 60 ASN CA C 13 52.889 0.001 . 1 . . . A 60 ASN CA . 18082 1
400 . 1 1 60 60 ASN CB C 13 37.683 0.009 . 1 . . . A 60 ASN CB . 18082 1
401 . 1 1 60 60 ASN N N 15 118.885 0.014 . 1 . . . A 60 ASN N . 18082 1
402 . 1 1 61 61 GLY H H 1 10.620 0.001 . 1 . . . A 61 GLY H . 18082 1
403 . 1 1 61 61 GLY HA2 H 1 4.305 0.050 . 2 . . . A 61 GLY HA2 . 18082 1
404 . 1 1 61 61 GLY HA3 H 1 3.506 0.050 . 2 . . . A 61 GLY HA3 . 18082 1
405 . 1 1 61 61 GLY CA C 13 45.648 0.003 . 1 . . . A 61 GLY CA . 18082 1
406 . 1 1 61 61 GLY N N 15 113.590 0.019 . 1 . . . A 61 GLY N . 18082 1
407 . 1 1 62 62 THR H H 1 7.671 0.050 . 1 . . . A 62 THR H . 18082 1
408 . 1 1 62 62 THR HA H 1 4.822 0.050 . 1 . . . A 62 THR HA . 18082 1
409 . 1 1 62 62 THR HB H 1 4.046 0.004 . 1 . . . A 62 THR HB . 18082 1
410 . 1 1 62 62 THR CA C 13 59.531 0.024 . 1 . . . A 62 THR CA . 18082 1
411 . 1 1 62 62 THR CB C 13 72.479 0.024 . 1 . . . A 62 THR CB . 18082 1
412 . 1 1 62 62 THR N N 15 108.235 0.020 . 1 . . . A 62 THR N . 18082 1
413 . 1 1 63 63 ILE H H 1 8.816 0.003 . 1 . . . A 63 ILE H . 18082 1
414 . 1 1 63 63 ILE HA H 1 5.357 0.008 . 1 . . . A 63 ILE HA . 18082 1
415 . 1 1 63 63 ILE HB H 1 2.333 0.050 . 1 . . . A 63 ILE HB . 18082 1
416 . 1 1 63 63 ILE CA C 13 58.123 0.005 . 1 . . . A 63 ILE CA . 18082 1
417 . 1 1 63 63 ILE CB C 13 38.406 0.062 . 1 . . . A 63 ILE CB . 18082 1
418 . 1 1 63 63 ILE N N 15 124.438 0.021 . 1 . . . A 63 ILE N . 18082 1
419 . 1 1 64 64 ASP H H 1 8.811 0.001 . 1 . . . A 64 ASP H . 18082 1
420 . 1 1 64 64 ASP HA H 1 5.455 0.050 . 1 . . . A 64 ASP HA . 18082 1
421 . 1 1 64 64 ASP HB2 H 1 3.201 0.050 . 2 . . . A 64 ASP HB2 . 18082 1
422 . 1 1 64 64 ASP HB3 H 1 2.835 0.050 . 2 . . . A 64 ASP HB3 . 18082 1
423 . 1 1 64 64 ASP CA C 13 51.924 0.010 . 1 . . . A 64 ASP CA . 18082 1
424 . 1 1 64 64 ASP CB C 13 42.237 0.009 . 1 . . . A 64 ASP CB . 18082 1
425 . 1 1 64 64 ASP N N 15 128.393 0.046 . 1 . . . A 64 ASP N . 18082 1
426 . 1 1 65 65 PHE H H 1 8.926 0.002 . 1 . . . A 65 PHE H . 18082 1
427 . 1 1 65 65 PHE HA H 1 3.993 0.050 . 1 . . . A 65 PHE HA . 18082 1
428 . 1 1 65 65 PHE HB2 H 1 2.819 0.050 . 2 . . . A 65 PHE HB2 . 18082 1
429 . 1 1 65 65 PHE HB3 H 1 2.036 0.050 . 2 . . . A 65 PHE HB3 . 18082 1
430 . 1 1 65 65 PHE CA C 13 63.050 0.100 . 1 . . . A 65 PHE CA . 18082 1
431 . 1 1 65 65 PHE CB C 13 35.932 0.100 . 1 . . . A 65 PHE CB . 18082 1
432 . 1 1 65 65 PHE N N 15 118.159 0.088 . 1 . . . A 65 PHE N . 18082 1
433 . 1 1 66 66 PRO HA H 1 3.827 0.001 . 1 . . . A 66 PRO HA . 18082 1
434 . 1 1 66 66 PRO HB2 H 1 2.141 0.050 . 2 . . . A 66 PRO HB2 . 18082 1
435 . 1 1 66 66 PRO HB3 H 1 1.926 0.050 . 2 . . . A 66 PRO HB3 . 18082 1
436 . 1 1 66 66 PRO CA C 13 66.950 0.020 . 1 . . . A 66 PRO CA . 18082 1
437 . 1 1 66 66 PRO CB C 13 30.758 0.100 . 1 . . . A 66 PRO CB . 18082 1
438 . 1 1 67 67 GLU H H 1 8.267 0.002 . 1 . . . A 67 GLU H . 18082 1
439 . 1 1 67 67 GLU HA H 1 3.988 0.050 . 1 . . . A 67 GLU HA . 18082 1
440 . 1 1 67 67 GLU HB2 H 1 2.601 0.050 . 2 . . . A 67 GLU HB2 . 18082 1
441 . 1 1 67 67 GLU HB3 H 1 2.070 0.050 . 2 . . . A 67 GLU HB3 . 18082 1
442 . 1 1 67 67 GLU CA C 13 59.100 0.020 . 1 . . . A 67 GLU CA . 18082 1
443 . 1 1 67 67 GLU CB C 13 29.855 0.016 . 1 . . . A 67 GLU CB . 18082 1
444 . 1 1 67 67 GLU CG C 13 37.603 0.100 . 1 . . . A 67 GLU CG . 18082 1
445 . 1 1 67 67 GLU N N 15 117.916 0.016 . 1 . . . A 67 GLU N . 18082 1
446 . 1 1 68 68 PHE H H 1 8.631 0.001 . 1 . . . A 68 PHE H . 18082 1
447 . 1 1 68 68 PHE HA H 1 3.632 0.050 . 1 . . . A 68 PHE HA . 18082 1
448 . 1 1 68 68 PHE HB2 H 1 3.381 0.050 . 2 . . . A 68 PHE HB2 . 18082 1
449 . 1 1 68 68 PHE HB3 H 1 3.048 0.050 . 2 . . . A 68 PHE HB3 . 18082 1
450 . 1 1 68 68 PHE CA C 13 61.413 0.026 . 1 . . . A 68 PHE CA . 18082 1
451 . 1 1 68 68 PHE CB C 13 40.628 0.003 . 1 . . . A 68 PHE CB . 18082 1
452 . 1 1 68 68 PHE N N 15 123.365 0.030 . 1 . . . A 68 PHE N . 18082 1
453 . 1 1 69 69 LEU H H 1 9.006 0.001 . 1 . . . A 69 LEU H . 18082 1
454 . 1 1 69 69 LEU HA H 1 3.304 0.004 . 1 . . . A 69 LEU HA . 18082 1
455 . 1 1 69 69 LEU HB2 H 1 1.221 0.050 . 2 . . . A 69 LEU HB2 . 18082 1
456 . 1 1 69 69 LEU HB3 H 1 1.094 0.050 . 2 . . . A 69 LEU HB3 . 18082 1
457 . 1 1 69 69 LEU CA C 13 57.940 0.034 . 1 . . . A 69 LEU CA . 18082 1
458 . 1 1 69 69 LEU CB C 13 41.342 0.114 . 1 . . . A 69 LEU CB . 18082 1
459 . 1 1 69 69 LEU N N 15 120.250 0.016 . 1 . . . A 69 LEU N . 18082 1
460 . 1 1 70 70 THR H H 1 7.671 0.001 . 1 . . . A 70 THR H . 18082 1
461 . 1 1 70 70 THR HA H 1 3.640 0.002 . 1 . . . A 70 THR HA . 18082 1
462 . 1 1 70 70 THR HB H 1 4.101 0.001 . 1 . . . A 70 THR HB . 18082 1
463 . 1 1 70 70 THR CA C 13 66.819 0.050 . 1 . . . A 70 THR CA . 18082 1
464 . 1 1 70 70 THR CB C 13 68.615 0.039 . 1 . . . A 70 THR CB . 18082 1
465 . 1 1 70 70 THR N N 15 114.585 0.022 . 1 . . . A 70 THR N . 18082 1
466 . 1 1 71 71 MET H H 1 7.095 0.004 . 1 . . . A 71 MET H . 18082 1
467 . 1 1 71 71 MET HA H 1 3.825 0.050 . 1 . . . A 71 MET HA . 18082 1
468 . 1 1 71 71 MET CA C 13 58.513 0.033 . 1 . . . A 71 MET CA . 18082 1
469 . 1 1 71 71 MET CB C 13 30.796 0.065 . 1 . . . A 71 MET CB . 18082 1
470 . 1 1 71 71 MET N N 15 120.319 0.019 . 1 . . . A 71 MET N . 18082 1
471 . 1 1 72 72 MET H H 1 8.004 0.001 . 1 . . . A 72 MET H . 18082 1
472 . 1 1 72 72 MET HA H 1 3.802 0.004 . 1 . . . A 72 MET HA . 18082 1
473 . 1 1 72 72 MET HB2 H 1 1.075 0.002 . 2 . . . A 72 MET HB2 . 18082 1
474 . 1 1 72 72 MET HB3 H 1 0.775 0.019 . 2 . . . A 72 MET HB3 . 18082 1
475 . 1 1 72 72 MET CA C 13 56.247 0.044 . 1 . . . A 72 MET CA . 18082 1
476 . 1 1 72 72 MET CB C 13 30.368 0.094 . 1 . . . A 72 MET CB . 18082 1
477 . 1 1 72 72 MET N N 15 118.715 0.036 . 1 . . . A 72 MET N . 18082 1
478 . 1 1 73 73 ALA H H 1 8.298 0.001 . 1 . . . A 73 ALA H . 18082 1
479 . 1 1 73 73 ALA HA H 1 4.028 0.050 . 1 . . . A 73 ALA HA . 18082 1
480 . 1 1 73 73 ALA HB1 H 1 1.361 0.001 . 1 . . . A 73 ALA HB1 . 18082 1
481 . 1 1 73 73 ALA HB2 H 1 1.361 0.001 . 1 . . . A 73 ALA HB2 . 18082 1
482 . 1 1 73 73 ALA HB3 H 1 1.361 0.001 . 1 . . . A 73 ALA HB3 . 18082 1
483 . 1 1 73 73 ALA CA C 13 54.594 0.024 . 1 . . . A 73 ALA CA . 18082 1
484 . 1 1 73 73 ALA CB C 13 18.233 0.031 . 1 . . . A 73 ALA CB . 18082 1
485 . 1 1 73 73 ALA N N 15 121.244 0.014 . 1 . . . A 73 ALA N . 18082 1
486 . 1 1 74 74 ARG H H 1 7.378 0.050 . 1 . . . A 74 ARG H . 18082 1
487 . 1 1 74 74 ARG HA H 1 4.086 0.050 . 1 . . . A 74 ARG HA . 18082 1
488 . 1 1 74 74 ARG HB2 H 1 1.895 0.050 . 1 . . . A 74 ARG HB2 . 18082 1
489 . 1 1 74 74 ARG HB3 H 1 1.895 0.050 . 1 . . . A 74 ARG HB3 . 18082 1
490 . 1 1 74 74 ARG CA C 13 58.442 0.025 . 1 . . . A 74 ARG CA . 18082 1
491 . 1 1 74 74 ARG CB C 13 30.239 0.007 . 1 . . . A 74 ARG CB . 18082 1
492 . 1 1 74 74 ARG N N 15 116.638 0.027 . 1 . . . A 74 ARG N . 18082 1
493 . 1 1 75 75 LYS H H 1 7.779 0.004 . 1 . . . A 75 LYS H . 18082 1
494 . 1 1 75 75 LYS HA H 1 4.208 0.050 . 1 . . . A 75 LYS HA . 18082 1
495 . 1 1 75 75 LYS HB2 H 1 1.839 0.050 . 1 . . . A 75 LYS HB2 . 18082 1
496 . 1 1 75 75 LYS HB3 H 1 1.839 0.050 . 1 . . . A 75 LYS HB3 . 18082 1
497 . 1 1 75 75 LYS CA C 13 57.508 0.030 . 1 . . . A 75 LYS CA . 18082 1
498 . 1 1 75 75 LYS CB C 13 32.532 0.002 . 1 . . . A 75 LYS CB . 18082 1
499 . 1 1 75 75 LYS N N 15 118.910 0.069 . 1 . . . A 75 LYS N . 18082 1
500 . 1 1 76 76 MET H H 1 7.789 0.050 . 1 . . . A 76 MET H . 18082 1
501 . 1 1 76 76 MET HA H 1 4.353 0.050 . 1 . . . A 76 MET HA . 18082 1
502 . 1 1 76 76 MET HB2 H 1 2.158 0.050 . 1 . . . A 76 MET HB2 . 18082 1
503 . 1 1 76 76 MET HB3 H 1 2.158 0.050 . 1 . . . A 76 MET HB3 . 18082 1
504 . 1 1 76 76 MET CA C 13 56.880 0.021 . 1 . . . A 76 MET CA . 18082 1
505 . 1 1 76 76 MET CB C 13 32.784 0.012 . 1 . . . A 76 MET CB . 18082 1
506 . 1 1 76 76 MET N N 15 117.825 0.022 . 1 . . . A 76 MET N . 18082 1
507 . 1 1 77 77 LYS H H 1 7.711 0.002 . 1 . . . A 77 LYS H . 18082 1
508 . 1 1 77 77 LYS HA H 1 4.355 0.050 . 1 . . . A 77 LYS HA . 18082 1
509 . 1 1 77 77 LYS HB2 H 1 1.908 0.050 . 1 . . . A 77 LYS HB2 . 18082 1
510 . 1 1 77 77 LYS HB3 H 1 1.908 0.050 . 1 . . . A 77 LYS HB3 . 18082 1
511 . 1 1 77 77 LYS CA C 13 56.490 0.102 . 1 . . . A 77 LYS CA . 18082 1
512 . 1 1 77 77 LYS CB C 13 33.115 0.027 . 1 . . . A 77 LYS CB . 18082 1
513 . 1 1 77 77 LYS N N 15 119.283 0.017 . 1 . . . A 77 LYS N . 18082 1
514 . 1 1 78 78 ASP H H 1 8.089 0.002 . 1 . . . A 78 ASP H . 18082 1
515 . 1 1 78 78 ASP HA H 1 4.695 0.050 . 1 . . . A 78 ASP HA . 18082 1
516 . 1 1 78 78 ASP HB2 H 1 2.734 0.050 . 1 . . . A 78 ASP HB2 . 18082 1
517 . 1 1 78 78 ASP HB3 H 1 2.734 0.050 . 1 . . . A 78 ASP HB3 . 18082 1
518 . 1 1 78 78 ASP CA C 13 54.680 0.006 . 1 . . . A 78 ASP CA . 18082 1
519 . 1 1 78 78 ASP CB C 13 41.207 0.054 . 1 . . . A 78 ASP CB . 18082 1
520 . 1 1 78 78 ASP N N 15 121.107 0.018 . 1 . . . A 78 ASP N . 18082 1
521 . 1 1 79 79 THR H H 1 7.935 0.001 . 1 . . . A 79 THR H . 18082 1
522 . 1 1 79 79 THR HA H 1 4.390 0.050 . 1 . . . A 79 THR HA . 18082 1
523 . 1 1 79 79 THR HB H 1 4.317 0.010 . 1 . . . A 79 THR HB . 18082 1
524 . 1 1 79 79 THR CA C 13 61.469 0.039 . 1 . . . A 79 THR CA . 18082 1
525 . 1 1 79 79 THR CB C 13 70.178 0.012 . 1 . . . A 79 THR CB . 18082 1
526 . 1 1 79 79 THR N N 15 112.761 0.026 . 1 . . . A 79 THR N . 18082 1
527 . 1 1 80 80 ASP H H 1 7.967 0.002 . 1 . . . A 80 ASP H . 18082 1
528 . 1 1 80 80 ASP CA C 13 56.143 0.100 . 1 . . . A 80 ASP CA . 18082 1
529 . 1 1 80 80 ASP CB C 13 42.284 0.100 . 1 . . . A 80 ASP CB . 18082 1
530 . 1 1 80 80 ASP N N 15 127.809 0.037 . 1 . . . A 80 ASP N . 18082 1
stop_
save_