###################################
# 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 19982
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.3
_Assigned_chem_shift_list.Chem_shift_15N_err 0.3
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' 1 $sample_1 . 19982 1
3 '3D HNCACB' 1 $sample_1 . 19982 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $TOPSPIN . . 19982 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 4 4 TRP H H 1 7.052 0.020 . 1 . . . . 4 TRP H . 19982 1
2 . 1 1 4 4 TRP C C 13 176.610 0.3 . 1 . . . . 4 TRP C . 19982 1
3 . 1 1 4 4 TRP CA C 13 57.476 0.3 . 1 . . . . 4 TRP CA . 19982 1
4 . 1 1 4 4 TRP N N 15 119.900 0.3 . 1 . . . . 4 TRP N . 19982 1
5 . 1 1 5 5 GLU H H 1 8.363 0.020 . 1 . . . . 5 GLU H . 19982 1
6 . 1 1 5 5 GLU CA C 13 56.813 0.3 . 1 . . . . 5 GLU CA . 19982 1
7 . 1 1 5 5 GLU N N 15 120.083 0.3 . 1 . . . . 5 GLU N . 19982 1
8 . 1 1 6 6 ASP H H 1 8.009 0.020 . 1 . . . . 6 ASP H . 19982 1
9 . 1 1 6 6 ASP CA C 13 54.845 0.3 . 1 . . . . 6 ASP CA . 19982 1
10 . 1 1 6 6 ASP N N 15 119.925 0.3 . 1 . . . . 6 ASP N . 19982 1
11 . 1 1 7 7 SER H H 1 7.957 0.020 . 1 . . . . 7 SER H . 19982 1
12 . 1 1 7 7 SER C C 13 175.182 0.3 . 1 . . . . 7 SER C . 19982 1
13 . 1 1 7 7 SER CA C 13 58.718 0.3 . 1 . . . . 7 SER CA . 19982 1
14 . 1 1 7 7 SER N N 15 114.890 0.3 . 1 . . . . 7 SER N . 19982 1
15 . 1 1 8 8 MET H H 1 8.208 0.020 . 1 . . . . 8 MET H . 19982 1
16 . 1 1 8 8 MET CA C 13 55.759 0.3 . 1 . . . . 8 MET CA . 19982 1
17 . 1 1 8 8 MET CB C 13 32.337 0.3 . 1 . . . . 8 MET CB . 19982 1
18 . 1 1 8 8 MET N N 15 121.561 0.3 . 1 . . . . 8 MET N . 19982 1
19 . 1 1 9 9 ASP H H 1 8.154 0.020 . 1 . . . . 9 ASP H . 19982 1
20 . 1 1 9 9 ASP C C 13 176.889 0.3 . 1 . . . . 9 ASP C . 19982 1
21 . 1 1 9 9 ASP CA C 13 54.601 0.3 . 1 . . . . 9 ASP CA . 19982 1
22 . 1 1 9 9 ASP CB C 13 40.873 0.3 . 1 . . . . 9 ASP CB . 19982 1
23 . 1 1 9 9 ASP N N 15 120.901 0.3 . 1 . . . . 9 ASP N . 19982 1
24 . 1 1 10 10 MET H H 1 8.054 0.020 . 1 . . . . 10 MET H . 19982 1
25 . 1 1 10 10 MET C C 13 176.377 0.3 . 1 . . . . 10 MET C . 19982 1
26 . 1 1 10 10 MET CA C 13 55.709 0.3 . 1 . . . . 10 MET CA . 19982 1
27 . 1 1 10 10 MET CB C 13 32.536 0.3 . 1 . . . . 10 MET CB . 19982 1
28 . 1 1 10 10 MET N N 15 120.045 0.3 . 1 . . . . 10 MET N . 19982 1
29 . 1 1 11 11 ASP H H 1 8.224 0.020 . 1 . . . . 11 ASP H . 19982 1
30 . 1 1 11 11 ASP C C 13 176.572 0.3 . 1 . . . . 11 ASP C . 19982 1
31 . 1 1 11 11 ASP CA C 13 54.672 0.3 . 1 . . . . 11 ASP CA . 19982 1
32 . 1 1 11 11 ASP CB C 13 40.873 0.3 . 1 . . . . 11 ASP CB . 19982 1
33 . 1 1 11 11 ASP N N 15 120.826 0.3 . 1 . . . . 11 ASP N . 19982 1
34 . 1 1 12 12 MET H H 1 8.083 0.020 . 1 . . . . 12 MET H . 19982 1
35 . 1 1 12 12 MET C C 13 176.621 0.3 . 1 . . . . 12 MET C . 19982 1
36 . 1 1 12 12 MET CA C 13 55.122 0.3 . 1 . . . . 12 MET CA . 19982 1
37 . 1 1 12 12 MET CB C 13 32.492 0.3 . 1 . . . . 12 MET CB . 19982 1
38 . 1 1 12 12 MET N N 15 120.339 0.3 . 1 . . . . 12 MET N . 19982 1
39 . 1 1 13 13 SER H H 1 8.197 0.020 . 1 . . . . 13 SER H . 19982 1
40 . 1 1 13 13 SER C C 13 173.158 0.3 . 1 . . . . 13 SER C . 19982 1
41 . 1 1 13 13 SER CA C 13 56.871 0.3 . 1 . . . . 13 SER CA . 19982 1
42 . 1 1 13 13 SER CB C 13 63.130 0.3 . 1 . . . . 13 SER CB . 19982 1
43 . 1 1 13 13 SER N N 15 117.940 0.3 . 1 . . . . 13 SER N . 19982 1
44 . 1 1 15 15 LEU H H 1 8.168 0.020 . 1 . . . . 15 LEU H . 19982 1
45 . 1 1 15 15 LEU C C 13 177.402 0.3 . 1 . . . . 15 LEU C . 19982 1
46 . 1 1 15 15 LEU CA C 13 54.991 0.3 . 1 . . . . 15 LEU CA . 19982 1
47 . 1 1 15 15 LEU CB C 13 41.494 0.3 . 1 . . . . 15 LEU CB . 19982 1
48 . 1 1 15 15 LEU N N 15 121.859 0.3 . 1 . . . . 15 LEU N . 19982 1
49 . 1 1 16 16 ARG H H 1 8.156 0.020 . 1 . . . . 16 ARG H . 19982 1
50 . 1 1 16 16 ARG C C 13 174.475 0.3 . 1 . . . . 16 ARG C . 19982 1
51 . 1 1 16 16 ARG CA C 13 53.608 0.3 . 1 . . . . 16 ARG CA . 19982 1
52 . 1 1 16 16 ARG CB C 13 29.666 0.3 . 1 . . . . 16 ARG CB . 19982 1
53 . 1 1 16 16 ARG N N 15 122.563 0.3 . 1 . . . . 16 ARG N . 19982 1
54 . 1 1 18 18 GLN H H 1 8.557 0.020 . 1 . . . . 18 GLN H . 19982 1
55 . 1 1 18 18 GLN C C 13 174.426 0.3 . 1 . . . . 18 GLN C . 19982 1
56 . 1 1 18 18 GLN CA C 13 55.269 0.3 . 1 . . . . 18 GLN CA . 19982 1
57 . 1 1 18 18 GLN CB C 13 30.814 0.3 . 1 . . . . 18 GLN CB . 19982 1
58 . 1 1 18 18 GLN N N 15 120.644 0.3 . 1 . . . . 18 GLN N . 19982 1
59 . 1 1 19 19 ASN H H 1 7.935 0.020 . 1 . . . . 19 ASN H . 19982 1
60 . 1 1 19 19 ASN C C 13 174.621 0.3 . 1 . . . . 19 ASN C . 19982 1
61 . 1 1 19 19 ASN CA C 13 52.200 0.3 . 1 . . . . 19 ASN CA . 19982 1
62 . 1 1 19 19 ASN CB C 13 40.164 0.3 . 1 . . . . 19 ASN CB . 19982 1
63 . 1 1 19 19 ASN N N 15 118.731 0.3 . 1 . . . . 19 ASN N . 19982 1
64 . 1 1 20 20 TYR H H 1 9.030 0.020 . 1 . . . . 20 TYR H . 19982 1
65 . 1 1 20 20 TYR C C 13 175.450 0.3 . 1 . . . . 20 TYR C . 19982 1
66 . 1 1 20 20 TYR CA C 13 56.684 0.3 . 1 . . . . 20 TYR CA . 19982 1
67 . 1 1 20 20 TYR CB C 13 41.005 0.3 . 1 . . . . 20 TYR CB . 19982 1
68 . 1 1 20 20 TYR N N 15 125.579 0.3 . 1 . . . . 20 TYR N . 19982 1
69 . 1 1 21 21 LEU H H 1 8.196 0.020 . 1 . . . . 21 LEU H . 19982 1
70 . 1 1 21 21 LEU C C 13 175.572 0.3 . 1 . . . . 21 LEU C . 19982 1
71 . 1 1 21 21 LEU CA C 13 55.752 0.3 . 1 . . . . 21 LEU CA . 19982 1
72 . 1 1 21 21 LEU CB C 13 43.356 0.3 . 1 . . . . 21 LEU CB . 19982 1
73 . 1 1 21 21 LEU N N 15 123.564 0.3 . 1 . . . . 21 LEU N . 19982 1
74 . 1 1 22 22 PHE H H 1 8.082 0.020 . 1 . . . . 22 PHE H . 19982 1
75 . 1 1 22 22 PHE C C 13 173.212 0.3 . 1 . . . . 22 PHE C . 19982 1
76 . 1 1 22 22 PHE CA C 13 57.050 0.3 . 1 . . . . 22 PHE CA . 19982 1
77 . 1 1 22 22 PHE N N 15 120.831 0.3 . 1 . . . . 22 PHE N . 19982 1
78 . 1 1 23 23 GLY H H 1 6.099 0.020 . 1 . . . . 23 GLY H . 19982 1
79 . 1 1 23 23 GLY C C 13 170.914 0.3 . 1 . . . . 23 GLY C . 19982 1
80 . 1 1 23 23 GLY CA C 13 45.953 0.3 . 1 . . . . 23 GLY CA . 19982 1
81 . 1 1 23 23 GLY N N 15 111.693 0.3 . 1 . . . . 23 GLY N . 19982 1
82 . 1 1 24 24 CYS H H 1 7.880 0.020 . 1 . . . . 24 CYS H . 19982 1
83 . 1 1 24 24 CYS C C 13 171.109 0.3 . 1 . . . . 24 CYS C . 19982 1
84 . 1 1 24 24 CYS CA C 13 56.132 0.3 . 1 . . . . 24 CYS CA . 19982 1
85 . 1 1 24 24 CYS CB C 13 30.404 0.3 . 1 . . . . 24 CYS CB . 19982 1
86 . 1 1 24 24 CYS N N 15 110.328 0.3 . 1 . . . . 24 CYS N . 19982 1
87 . 1 1 25 25 GLU H H 1 8.068 0.020 . 1 . . . . 25 GLU H . 19982 1
88 . 1 1 25 25 GLU C C 13 174.841 0.3 . 1 . . . . 25 GLU C . 19982 1
89 . 1 1 25 25 GLU CA C 13 54.531 0.3 . 1 . . . . 25 GLU CA . 19982 1
90 . 1 1 25 25 GLU CB C 13 32.104 0.3 . 1 . . . . 25 GLU CB . 19982 1
91 . 1 1 25 25 GLU N N 15 120.906 0.3 . 1 . . . . 25 GLU N . 19982 1
92 . 1 1 26 26 LEU H H 1 9.423 0.020 . 1 . . . . 26 LEU H . 19982 1
93 . 1 1 26 26 LEU CA C 13 52.956 0.3 . 1 . . . . 26 LEU CA . 19982 1
94 . 1 1 26 26 LEU N N 15 124.709 0.3 . 1 . . . . 26 LEU N . 19982 1
95 . 1 1 27 27 LYS H H 1 8.537 0.020 . 1 . . . . 27 LYS H . 19982 1
96 . 1 1 27 27 LYS C C 13 177.011 0.3 . 1 . . . . 27 LYS C . 19982 1
97 . 1 1 27 27 LYS CA C 13 54.959 0.3 . 1 . . . . 27 LYS CA . 19982 1
98 . 1 1 27 27 LYS CB C 13 36.309 0.3 . 1 . . . . 27 LYS CB . 19982 1
99 . 1 1 27 27 LYS N N 15 118.338 0.3 . 1 . . . . 27 LYS N . 19982 1
100 . 1 1 28 28 ALA H H 1 7.726 0.020 . 1 . . . . 28 ALA H . 19982 1
101 . 1 1 28 28 ALA C C 13 178.207 0.3 . 1 . . . . 28 ALA C . 19982 1
102 . 1 1 28 28 ALA CA C 13 54.845 0.3 . 1 . . . . 28 ALA CA . 19982 1
103 . 1 1 28 28 ALA CB C 13 18.019 0.3 . 1 . . . . 28 ALA CB . 19982 1
104 . 1 1 28 28 ALA N N 15 123.335 0.3 . 1 . . . . 28 ALA N . 19982 1
105 . 1 1 29 29 ASP H H 1 8.407 0.020 . 1 . . . . 29 ASP H . 19982 1
106 . 1 1 29 29 ASP CA C 13 53.948 0.3 . 1 . . . . 29 ASP CA . 19982 1
107 . 1 1 29 29 ASP CB C 13 39.754 0.3 . 1 . . . . 29 ASP CB . 19982 1
108 . 1 1 29 29 ASP N N 15 113.124 0.3 . 1 . . . . 29 ASP N . 19982 1
109 . 1 1 30 30 LYS H H 1 7.450 0.020 . 1 . . . . 30 LYS H . 19982 1
110 . 1 1 30 30 LYS C C 13 174.922 0.3 . 1 . . . . 30 LYS C . 19982 1
111 . 1 1 30 30 LYS CA C 13 56.240 0.3 . 1 . . . . 30 LYS CA . 19982 1
112 . 1 1 30 30 LYS CB C 13 34.095 0.3 . 1 . . . . 30 LYS CB . 19982 1
113 . 1 1 30 30 LYS N N 15 120.576 0.3 . 1 . . . . 30 LYS N . 19982 1
114 . 1 1 31 31 ASP H H 1 8.211 0.020 . 1 . . . . 31 ASP H . 19982 1
115 . 1 1 31 31 ASP C C 13 176.280 0.3 . 1 . . . . 31 ASP C . 19982 1
116 . 1 1 31 31 ASP CA C 13 53.608 0.3 . 1 . . . . 31 ASP CA . 19982 1
117 . 1 1 31 31 ASP CB C 13 41.395 0.3 . 1 . . . . 31 ASP CB . 19982 1
118 . 1 1 31 31 ASP N N 15 126.468 0.3 . 1 . . . . 31 ASP N . 19982 1
119 . 1 1 32 32 TYR H H 1 8.884 0.020 . 1 . . . . 32 TYR H . 19982 1
120 . 1 1 32 32 TYR C C 13 173.745 0.3 . 1 . . . . 32 TYR C . 19982 1
121 . 1 1 32 32 TYR CA C 13 59.238 0.3 . 1 . . . . 32 TYR CA . 19982 1
122 . 1 1 32 32 TYR CB C 13 41.723 0.3 . 1 . . . . 32 TYR CB . 19982 1
123 . 1 1 32 32 TYR N N 15 120.020 0.3 . 1 . . . . 32 TYR N . 19982 1
124 . 1 1 33 33 HIS H H 1 8.070 0.020 . 1 . . . . 33 HIS H . 19982 1
125 . 1 1 33 33 HIS C C 13 173.743 0.3 . 1 . . . . 33 HIS C . 19982 1
126 . 1 1 33 33 HIS CA C 13 54.190 0.3 . 1 . . . . 33 HIS CA . 19982 1
127 . 1 1 33 33 HIS CB C 13 31.470 0.3 . 1 . . . . 33 HIS CB . 19982 1
128 . 1 1 33 33 HIS N N 15 127.499 0.3 . 1 . . . . 33 HIS N . 19982 1
129 . 1 1 34 34 PHE H H 1 8.983 0.020 . 1 . . . . 34 PHE H . 19982 1
130 . 1 1 34 34 PHE C C 13 173.499 0.3 . 1 . . . . 34 PHE C . 19982 1
131 . 1 1 34 34 PHE CA C 13 57.636 0.3 . 1 . . . . 34 PHE CA . 19982 1
132 . 1 1 34 34 PHE CB C 13 39.262 0.3 . 1 . . . . 34 PHE CB . 19982 1
133 . 1 1 34 34 PHE N N 15 125.693 0.3 . 1 . . . . 34 PHE N . 19982 1
134 . 1 1 35 35 LYS H H 1 7.556 0.020 . 1 . . . . 35 LYS H . 19982 1
135 . 1 1 35 35 LYS C C 13 174.719 0.3 . 1 . . . . 35 LYS C . 19982 1
136 . 1 1 35 35 LYS CA C 13 54.837 0.3 . 1 . . . . 35 LYS CA . 19982 1
137 . 1 1 35 35 LYS CB C 13 33.931 0.3 . 1 . . . . 35 LYS CB . 19982 1
138 . 1 1 35 35 LYS N N 15 126.124 0.3 . 1 . . . . 35 LYS N . 19982 1
139 . 1 1 36 36 VAL H H 1 8.274 0.020 . 1 . . . . 36 VAL H . 19982 1
140 . 1 1 36 36 VAL C C 13 175.792 0.3 . 1 . . . . 36 VAL C . 19982 1
141 . 1 1 36 36 VAL CA C 13 60.653 0.3 . 1 . . . . 36 VAL CA . 19982 1
142 . 1 1 36 36 VAL CB C 13 32.141 0.3 . 1 . . . . 36 VAL CB . 19982 1
143 . 1 1 36 36 VAL N N 15 118.782 0.3 . 1 . . . . 36 VAL N . 19982 1
144 . 1 1 37 37 ASP H H 1 8.174 0.020 . 1 . . . . 37 ASP H . 19982 1
145 . 1 1 37 37 ASP CA C 13 54.606 0.3 . 1 . . . . 37 ASP CA . 19982 1
146 . 1 1 37 37 ASP CB C 13 41.317 0.3 . 1 . . . . 37 ASP CB . 19982 1
147 . 1 1 37 37 ASP N N 15 123.027 0.3 . 1 . . . . 37 ASP N . 19982 1
148 . 1 1 38 38 ASN H H 1 8.271 0.020 . 1 . . . . 38 ASN H . 19982 1
149 . 1 1 38 38 ASN C C 13 176.523 0.3 . 1 . . . . 38 ASN C . 19982 1
150 . 1 1 38 38 ASN CA C 13 53.509 0.3 . 1 . . . . 38 ASN CA . 19982 1
151 . 1 1 38 38 ASN N N 15 117.273 0.3 . 1 . . . . 38 ASN N . 19982 1
152 . 1 1 39 39 ASP H H 1 7.955 0.020 . 1 . . . . 39 ASP H . 19982 1
153 . 1 1 39 39 ASP C C 13 176.450 0.3 . 1 . . . . 39 ASP C . 19982 1
154 . 1 1 39 39 ASP CA C 13 54.135 0.3 . 1 . . . . 39 ASP CA . 19982 1
155 . 1 1 39 39 ASP CB C 13 42.215 0.3 . 1 . . . . 39 ASP CB . 19982 1
156 . 1 1 39 39 ASP N N 15 119.324 0.3 . 1 . . . . 39 ASP N . 19982 1
157 . 1 1 40 40 GLU H H 1 8.512 0.020 . 1 . . . . 40 GLU H . 19982 1
158 . 1 1 40 40 GLU C C 13 176.987 0.3 . 1 . . . . 40 GLU C . 19982 1
159 . 1 1 40 40 GLU CA C 13 56.916 0.3 . 1 . . . . 40 GLU CA . 19982 1
160 . 1 1 40 40 GLU CB C 13 29.009 0.3 . 1 . . . . 40 GLU CB . 19982 1
161 . 1 1 40 40 GLU N N 15 118.853 0.3 . 1 . . . . 40 GLU N . 19982 1
162 . 1 1 41 41 ASN H H 1 8.194 0.020 . 1 . . . . 41 ASN H . 19982 1
163 . 1 1 41 41 ASN C C 13 174.548 0.3 . 1 . . . . 41 ASN C . 19982 1
164 . 1 1 41 41 ASN CA C 13 52.961 0.3 . 1 . . . . 41 ASN CA . 19982 1
165 . 1 1 41 41 ASN CB C 13 39.426 0.3 . 1 . . . . 41 ASN CB . 19982 1
166 . 1 1 41 41 ASN N N 15 117.229 0.3 . 1 . . . . 41 ASN N . 19982 1
167 . 1 1 42 42 GLU H H 1 8.146 0.020 . 1 . . . . 42 GLU H . 19982 1
168 . 1 1 42 42 GLU C C 13 176.255 0.3 . 1 . . . . 42 GLU C . 19982 1
169 . 1 1 42 42 GLU CA C 13 56.445 0.3 . 1 . . . . 42 GLU CA . 19982 1
170 . 1 1 42 42 GLU CB C 13 30.474 0.3 . 1 . . . . 42 GLU CB . 19982 1
171 . 1 1 42 42 GLU N N 15 118.926 0.3 . 1 . . . . 42 GLU N . 19982 1
172 . 1 1 43 43 HIS H H 1 8.587 0.020 . 1 . . . . 43 HIS H . 19982 1
173 . 1 1 43 43 HIS C C 13 176.109 0.3 . 1 . . . . 43 HIS C . 19982 1
174 . 1 1 43 43 HIS CA C 13 55.874 0.3 . 1 . . . . 43 HIS CA . 19982 1
175 . 1 1 43 43 HIS CB C 13 35.053 0.3 . 1 . . . . 43 HIS CB . 19982 1
176 . 1 1 43 43 HIS N N 15 122.207 0.3 . 1 . . . . 43 HIS N . 19982 1
177 . 1 1 44 44 GLN H H 1 9.010 0.020 . 1 . . . . 44 GLN H . 19982 1
178 . 1 1 44 44 GLN C C 13 174.450 0.3 . 1 . . . . 44 GLN C . 19982 1
179 . 1 1 44 44 GLN CA C 13 55.594 0.3 . 1 . . . . 44 GLN CA . 19982 1
180 . 1 1 44 44 GLN CB C 13 33.345 0.3 . 1 . . . . 44 GLN CB . 19982 1
181 . 1 1 44 44 GLN N N 15 118.469 0.3 . 1 . . . . 44 GLN N . 19982 1
182 . 1 1 45 45 LEU H H 1 8.222 0.020 . 1 . . . . 45 LEU H . 19982 1
183 . 1 1 45 45 LEU C C 13 175.914 0.3 . 1 . . . . 45 LEU C . 19982 1
184 . 1 1 45 45 LEU CA C 13 52.750 0.3 . 1 . . . . 45 LEU CA . 19982 1
185 . 1 1 45 45 LEU CB C 13 43.279 0.3 . 1 . . . . 45 LEU CB . 19982 1
186 . 1 1 45 45 LEU N N 15 122.913 0.3 . 1 . . . . 45 LEU N . 19982 1
187 . 1 1 46 46 SER H H 1 8.830 0.020 . 1 . . . . 46 SER H . 19982 1
188 . 1 1 46 46 SER C C 13 176.060 0.3 . 1 . . . . 46 SER C . 19982 1
189 . 1 1 46 46 SER CA C 13 55.381 0.3 . 1 . . . . 46 SER CA . 19982 1
190 . 1 1 46 46 SER CB C 13 62.638 0.3 . 1 . . . . 46 SER CB . 19982 1
191 . 1 1 46 46 SER N N 15 116.809 0.3 . 1 . . . . 46 SER N . 19982 1
192 . 1 1 47 47 LEU H H 1 8.654 0.020 . 1 . . . . 47 LEU H . 19982 1
193 . 1 1 47 47 LEU C C 13 177.816 0.3 . 1 . . . . 47 LEU C . 19982 1
194 . 1 1 47 47 LEU CA C 13 55.866 0.3 . 1 . . . . 47 LEU CA . 19982 1
195 . 1 1 47 47 LEU N N 15 124.299 0.3 . 1 . . . . 47 LEU N . 19982 1
196 . 1 1 48 48 ARG H H 1 9.359 0.020 . 1 . . . . 48 ARG H . 19982 1
197 . 1 1 48 48 ARG CA C 13 56.374 0.3 . 1 . . . . 48 ARG CA . 19982 1
198 . 1 1 48 48 ARG N N 15 122.399 0.3 . 1 . . . . 48 ARG N . 19982 1
199 . 1 1 49 49 THR H H 1 7.836 0.020 . 1 . . . . 49 THR H . 19982 1
200 . 1 1 49 49 THR C C 13 173.328 0.3 . 1 . . . . 49 THR C . 19982 1
201 . 1 1 49 49 THR CA C 13 59.687 0.3 . 1 . . . . 49 THR CA . 19982 1
202 . 1 1 49 49 THR CB C 13 72.562 0.3 . 1 . . . . 49 THR CB . 19982 1
203 . 1 1 49 49 THR N N 15 110.020 0.3 . 1 . . . . 49 THR N . 19982 1
204 . 1 1 50 50 VAL H H 1 8.669 0.020 . 1 . . . . 50 VAL H . 19982 1
205 . 1 1 50 50 VAL CA C 13 60.757 0.3 . 1 . . . . 50 VAL CA . 19982 1
206 . 1 1 50 50 VAL N N 15 122.116 0.3 . 1 . . . . 50 VAL N . 19982 1
207 . 1 1 51 51 SER H H 1 9.017 0.020 . 1 . . . . 51 SER H . 19982 1
208 . 1 1 51 51 SER CA C 13 57.685 0.3 . 1 . . . . 51 SER CA . 19982 1
209 . 1 1 51 51 SER N N 15 120.211 0.3 . 1 . . . . 51 SER N . 19982 1
210 . 1 1 52 52 LEU H H 1 8.448 0.020 . 1 . . . . 52 LEU H . 19982 1
211 . 1 1 52 52 LEU C C 13 176.885 0.3 . 1 . . . . 52 LEU C . 19982 1
212 . 1 1 52 52 LEU CA C 13 55.430 0.3 . 1 . . . . 52 LEU CA . 19982 1
213 . 1 1 52 52 LEU N N 15 123.326 0.3 . 1 . . . . 52 LEU N . 19982 1
214 . 1 1 53 53 GLY H H 1 7.925 0.020 . 1 . . . . 53 GLY H . 19982 1
215 . 1 1 53 53 GLY C C 13 173.084 0.3 . 1 . . . . 53 GLY C . 19982 1
216 . 1 1 53 53 GLY CA C 13 43.915 0.3 . 1 . . . . 53 GLY CA . 19982 1
217 . 1 1 53 53 GLY N N 15 104.871 0.3 . 1 . . . . 53 GLY N . 19982 1
218 . 1 1 54 54 ALA H H 1 7.934 0.020 . 1 . . . . 54 ALA H . 19982 1
219 . 1 1 54 54 ALA C C 13 179.475 0.3 . 1 . . . . 54 ALA C . 19982 1
220 . 1 1 54 54 ALA CA C 13 53.673 0.3 . 1 . . . . 54 ALA CA . 19982 1
221 . 1 1 54 54 ALA CB C 13 17.526 0.3 . 1 . . . . 54 ALA CB . 19982 1
222 . 1 1 54 54 ALA N N 15 119.938 0.3 . 1 . . . . 54 ALA N . 19982 1
223 . 1 1 55 55 GLY H H 1 8.460 0.020 . 1 . . . . 55 GLY H . 19982 1
224 . 1 1 55 55 GLY C C 13 175.036 0.3 . 1 . . . . 55 GLY C . 19982 1
225 . 1 1 55 55 GLY CA C 13 44.593 0.3 . 1 . . . . 55 GLY CA . 19982 1
226 . 1 1 55 55 GLY N N 15 106.899 0.3 . 1 . . . . 55 GLY N . 19982 1
227 . 1 1 56 56 ALA H H 1 7.376 0.020 . 1 . . . . 56 ALA H . 19982 1
228 . 1 1 56 56 ALA C C 13 178.279 0.3 . 1 . . . . 56 ALA C . 19982 1
229 . 1 1 56 56 ALA CA C 13 52.626 0.3 . 1 . . . . 56 ALA CA . 19982 1
230 . 1 1 56 56 ALA CB C 13 18.019 0.3 . 1 . . . . 56 ALA CB . 19982 1
231 . 1 1 56 56 ALA N N 15 123.253 0.3 . 1 . . . . 56 ALA N . 19982 1
232 . 1 1 57 57 LYS H H 1 8.870 0.020 . 1 . . . . 57 LYS H . 19982 1
233 . 1 1 57 57 LYS C C 13 178.109 0.3 . 1 . . . . 57 LYS C . 19982 1
234 . 1 1 57 57 LYS CA C 13 55.748 0.3 . 1 . . . . 57 LYS CA . 19982 1
235 . 1 1 57 57 LYS CB C 13 32.536 0.3 . 1 . . . . 57 LYS CB . 19982 1
236 . 1 1 57 57 LYS N N 15 121.231 0.3 . 1 . . . . 57 LYS N . 19982 1
237 . 1 1 59 59 GLU H H 1 8.001 0.020 . 1 . . . . 59 GLU H . 19982 1
238 . 1 1 59 59 GLU C C 13 176.876 0.3 . 1 . . . . 59 GLU C . 19982 1
239 . 1 1 59 59 GLU CA C 13 53.148 0.3 . 1 . . . . 59 GLU CA . 19982 1
240 . 1 1 59 59 GLU N N 15 117.916 0.3 . 1 . . . . 59 GLU N . 19982 1
241 . 1 1 60 60 LEU H H 1 10.360 0.020 . 1 . . . . 60 LEU H . 19982 1
242 . 1 1 60 60 LEU CA C 13 56.719 0.3 . 1 . . . . 60 LEU CA . 19982 1
243 . 1 1 60 60 LEU N N 15 132.484 0.3 . 1 . . . . 60 LEU N . 19982 1
244 . 1 1 61 61 HIS H H 1 8.971 0.020 . 1 . . . . 61 HIS H . 19982 1
245 . 1 1 61 61 HIS C C 13 175.719 0.3 . 1 . . . . 61 HIS C . 19982 1
246 . 1 1 61 61 HIS CA C 13 55.411 0.3 . 1 . . . . 61 HIS CA . 19982 1
247 . 1 1 61 61 HIS N N 15 122.204 0.3 . 1 . . . . 61 HIS N . 19982 1
248 . 1 1 62 62 ILE H H 1 7.792 0.020 . 1 . . . . 62 ILE H . 19982 1
249 . 1 1 62 62 ILE C C 13 175.841 0.3 . 1 . . . . 62 ILE C . 19982 1
250 . 1 1 62 62 ILE CA C 13 61.309 0.3 . 1 . . . . 62 ILE CA . 19982 1
251 . 1 1 62 62 ILE CB C 13 40.252 0.3 . 1 . . . . 62 ILE CB . 19982 1
252 . 1 1 62 62 ILE N N 15 120.514 0.3 . 1 . . . . 62 ILE N . 19982 1
253 . 1 1 63 63 VAL H H 1 8.498 0.020 . 1 . . . . 63 VAL H . 19982 1
254 . 1 1 63 63 VAL CA C 13 61.742 0.3 . 1 . . . . 63 VAL CA . 19982 1
255 . 1 1 63 63 VAL N N 15 127.535 0.3 . 1 . . . . 63 VAL N . 19982 1
256 . 1 1 64 64 GLU H H 1 9.410 0.020 . 1 . . . . 64 GLU H . 19982 1
257 . 1 1 64 64 GLU CA C 13 53.938 0.3 . 1 . . . . 64 GLU CA . 19982 1
258 . 1 1 64 64 GLU N N 15 130.227 0.3 . 1 . . . . 64 GLU N . 19982 1
259 . 1 1 65 65 ALA H H 1 8.887 0.020 . 1 . . . . 65 ALA H . 19982 1
260 . 1 1 65 65 ALA CA C 13 49.094 0.3 . 1 . . . . 65 ALA CA . 19982 1
261 . 1 1 65 65 ALA N N 15 123.814 0.3 . 1 . . . . 65 ALA N . 19982 1
262 . 1 1 66 66 GLU H H 1 9.058 0.020 . 1 . . . . 66 GLU H . 19982 1
263 . 1 1 66 66 GLU C C 13 175.645 0.3 . 1 . . . . 66 GLU C . 19982 1
264 . 1 1 66 66 GLU CA C 13 54.086 0.3 . 1 . . . . 66 GLU CA . 19982 1
265 . 1 1 66 66 GLU CB C 13 32.618 0.3 . 1 . . . . 66 GLU CB . 19982 1
266 . 1 1 66 66 GLU N N 15 121.420 0.3 . 1 . . . . 66 GLU N . 19982 1
267 . 1 1 67 67 ALA H H 1 8.341 0.020 . 1 . . . . 67 ALA H . 19982 1
268 . 1 1 67 67 ALA C C 13 176.036 0.3 . 1 . . . . 67 ALA C . 19982 1
269 . 1 1 67 67 ALA CA C 13 51.128 0.3 . 1 . . . . 67 ALA CA . 19982 1
270 . 1 1 67 67 ALA CB C 13 20.971 0.3 . 1 . . . . 67 ALA CB . 19982 1
271 . 1 1 67 67 ALA N N 15 128.792 0.3 . 1 . . . . 67 ALA N . 19982 1
272 . 1 1 68 68 MET H H 1 8.267 0.020 . 1 . . . . 68 MET H . 19982 1
273 . 1 1 68 68 MET C C 13 177.987 0.3 . 1 . . . . 68 MET C . 19982 1
274 . 1 1 68 68 MET CA C 13 56.226 0.3 . 1 . . . . 68 MET CA . 19982 1
275 . 1 1 68 68 MET CB C 13 33.521 0.3 . 1 . . . . 68 MET CB . 19982 1
276 . 1 1 68 68 MET N N 15 117.114 0.3 . 1 . . . . 68 MET N . 19982 1
277 . 1 1 69 69 ASN H H 1 8.759 0.020 . 1 . . . . 69 ASN H . 19982 1
278 . 1 1 69 69 ASN C C 13 177.133 0.3 . 1 . . . . 69 ASN C . 19982 1
279 . 1 1 69 69 ASN CA C 13 50.909 0.3 . 1 . . . . 69 ASN CA . 19982 1
280 . 1 1 69 69 ASN CB C 13 39.344 0.3 . 1 . . . . 69 ASN CB . 19982 1
281 . 1 1 69 69 ASN N N 15 121.245 0.3 . 1 . . . . 69 ASN N . 19982 1
282 . 1 1 70 70 TYR H H 1 8.658 0.020 . 1 . . . . 70 TYR H . 19982 1
283 . 1 1 70 70 TYR C C 13 176.109 0.3 . 1 . . . . 70 TYR C . 19982 1
284 . 1 1 70 70 TYR CA C 13 58.811 0.3 . 1 . . . . 70 TYR CA . 19982 1
285 . 1 1 70 70 TYR CB C 13 37.691 0.3 . 1 . . . . 70 TYR CB . 19982 1
286 . 1 1 70 70 TYR N N 15 118.504 0.3 . 1 . . . . 70 TYR N . 19982 1
287 . 1 1 71 71 GLU H H 1 7.300 0.020 . 1 . . . . 71 GLU H . 19982 1
288 . 1 1 71 71 GLU C C 13 177.304 0.3 . 1 . . . . 71 GLU C . 19982 1
289 . 1 1 71 71 GLU CA C 13 56.443 0.3 . 1 . . . . 71 GLU CA . 19982 1
290 . 1 1 71 71 GLU CB C 13 28.845 0.3 . 1 . . . . 71 GLU CB . 19982 1
291 . 1 1 71 71 GLU N N 15 116.921 0.3 . 1 . . . . 71 GLU N . 19982 1
292 . 1 1 72 72 GLY H H 1 7.896 0.020 . 1 . . . . 72 GLY H . 19982 1
293 . 1 1 72 72 GLY C C 13 174.694 0.3 . 1 . . . . 72 GLY C . 19982 1
294 . 1 1 72 72 GLY CA C 13 45.985 0.3 . 1 . . . . 72 GLY CA . 19982 1
295 . 1 1 72 72 GLY N N 15 107.644 0.3 . 1 . . . . 72 GLY N . 19982 1
296 . 1 1 73 73 SER H H 1 8.010 0.020 . 1 . . . . 73 SER H . 19982 1
297 . 1 1 73 73 SER C C 13 171.889 0.3 . 1 . . . . 73 SER C . 19982 1
298 . 1 1 73 73 SER CA C 13 55.787 0.3 . 1 . . . . 73 SER CA . 19982 1
299 . 1 1 73 73 SER CB C 13 63.844 0.3 . 1 . . . . 73 SER CB . 19982 1
300 . 1 1 73 73 SER N N 15 117.049 0.3 . 1 . . . . 73 SER N . 19982 1
301 . 1 1 75 75 ILE H H 1 8.915 0.020 . 1 . . . . 75 ILE H . 19982 1
302 . 1 1 75 75 ILE C C 13 173.158 0.3 . 1 . . . . 75 ILE C . 19982 1
303 . 1 1 75 75 ILE CA C 13 59.618 0.3 . 1 . . . . 75 ILE CA . 19982 1
304 . 1 1 75 75 ILE CB C 13 41.641 0.3 . 1 . . . . 75 ILE CB . 19982 1
305 . 1 1 75 75 ILE N N 15 122.019 0.3 . 1 . . . . 75 ILE N . 19982 1
306 . 1 1 76 76 LYS H H 1 7.863 0.020 . 1 . . . . 76 LYS H . 19982 1
307 . 1 1 76 76 LYS C C 13 177.085 0.3 . 1 . . . . 76 LYS C . 19982 1
308 . 1 1 76 76 LYS CA C 13 54.845 0.3 . 1 . . . . 76 LYS CA . 19982 1
309 . 1 1 76 76 LYS CB C 13 32.700 0.3 . 1 . . . . 76 LYS CB . 19982 1
310 . 1 1 76 76 LYS N N 15 121.692 0.3 . 1 . . . . 76 LYS N . 19982 1
311 . 1 1 77 77 VAL H H 1 9.256 0.020 . 1 . . . . 77 VAL H . 19982 1
312 . 1 1 77 77 VAL C C 13 175.280 0.3 . 1 . . . . 77 VAL C . 19982 1
313 . 1 1 77 77 VAL CA C 13 59.238 0.3 . 1 . . . . 77 VAL CA . 19982 1
314 . 1 1 77 77 VAL N N 15 119.913 0.3 . 1 . . . . 77 VAL N . 19982 1
315 . 1 1 78 78 THR H H 1 8.777 0.020 . 1 . . . . 78 THR H . 19982 1
316 . 1 1 78 78 THR C C 13 174.548 0.3 . 1 . . . . 78 THR C . 19982 1
317 . 1 1 78 78 THR CA C 13 63.622 0.3 . 1 . . . . 78 THR CA . 19982 1
318 . 1 1 78 78 THR CB C 13 69.036 0.3 . 1 . . . . 78 THR CB . 19982 1
319 . 1 1 78 78 THR N N 15 122.449 0.3 . 1 . . . . 78 THR N . 19982 1
320 . 1 1 79 79 LEU H H 1 9.157 0.020 . 1 . . . . 79 LEU H . 19982 1
321 . 1 1 79 79 LEU CA C 13 55.767 0.3 . 1 . . . . 79 LEU CA . 19982 1
322 . 1 1 79 79 LEU N N 15 126.232 0.3 . 1 . . . . 79 LEU N . 19982 1
323 . 1 1 80 80 ALA H H 1 6.934 0.020 . 1 . . . . 80 ALA H . 19982 1
324 . 1 1 80 80 ALA C C 13 175.102 0.3 . 1 . . . . 80 ALA C . 19982 1
325 . 1 1 80 80 ALA CA C 13 52.191 0.3 . 1 . . . . 80 ALA CA . 19982 1
326 . 1 1 80 80 ALA N N 15 114.364 0.3 . 1 . . . . 80 ALA N . 19982 1
327 . 1 1 81 81 THR H H 1 8.027 0.020 . 1 . . . . 81 THR H . 19982 1
328 . 1 1 81 81 THR CA C 13 62.413 0.3 . 1 . . . . 81 THR CA . 19982 1
329 . 1 1 81 81 THR N N 15 119.159 0.3 . 1 . . . . 81 THR N . 19982 1
330 . 1 1 82 82 LEU H H 1 9.314 0.020 . 1 . . . . 82 LEU H . 19982 1
331 . 1 1 82 82 LEU CA C 13 54.363 0.3 . 1 . . . . 82 LEU CA . 19982 1
332 . 1 1 82 82 LEU N N 15 122.925 0.3 . 1 . . . . 82 LEU N . 19982 1
333 . 1 1 83 83 LYS H H 1 7.257 0.020 . 1 . . . . 83 LYS H . 19982 1
334 . 1 1 83 83 LYS C C 13 177.133 0.3 . 1 . . . . 83 LYS C . 19982 1
335 . 1 1 83 83 LYS CA C 13 56.865 0.3 . 1 . . . . 83 LYS CA . 19982 1
336 . 1 1 83 83 LYS CB C 13 36.063 0.3 . 1 . . . . 83 LYS CB . 19982 1
337 . 1 1 83 83 LYS N N 15 117.244 0.3 . 1 . . . . 83 LYS N . 19982 1
338 . 1 1 84 84 MET H H 1 9.708 0.020 . 1 . . . . 84 MET H . 19982 1
339 . 1 1 84 84 MET C C 13 175.949 0.3 . 1 . . . . 84 MET C . 19982 1
340 . 1 1 84 84 MET CA C 13 59.790 0.3 . 1 . . . . 84 MET CA . 19982 1
341 . 1 1 84 84 MET N N 15 132.482 0.3 . 1 . . . . 84 MET N . 19982 1
342 . 1 1 85 85 SER H H 1 8.024 0.020 . 1 . . . . 85 SER H . 19982 1
343 . 1 1 85 85 SER C C 13 177.426 0.3 . 1 . . . . 85 SER C . 19982 1
344 . 1 1 85 85 SER CA C 13 59.135 0.3 . 1 . . . . 85 SER CA . 19982 1
345 . 1 1 85 85 SER CB C 13 62.392 0.3 . 1 . . . . 85 SER CB . 19982 1
346 . 1 1 85 85 SER N N 15 106.896 0.3 . 1 . . . . 85 SER N . 19982 1
347 . 1 1 86 86 VAL H H 1 7.310 0.020 . 1 . . . . 86 VAL H . 19982 1
348 . 1 1 86 86 VAL C C 13 174.767 0.3 . 1 . . . . 86 VAL C . 19982 1
349 . 1 1 86 86 VAL CA C 13 63.786 0.3 . 1 . . . . 86 VAL CA . 19982 1
350 . 1 1 86 86 VAL CB C 13 35.817 0.3 . 1 . . . . 86 VAL CB . 19982 1
351 . 1 1 86 86 VAL N N 15 117.735 0.3 . 1 . . . . 86 VAL N . 19982 1
352 . 1 1 87 87 GLN H H 1 8.481 0.020 . 1 . . . . 87 GLN H . 19982 1
353 . 1 1 87 87 GLN C C 13 172.889 0.3 . 1 . . . . 87 GLN C . 19982 1
354 . 1 1 87 87 GLN CA C 13 55.129 0.3 . 1 . . . . 87 GLN CA . 19982 1
355 . 1 1 87 87 GLN CB C 13 29.337 0.3 . 1 . . . . 87 GLN CB . 19982 1
356 . 1 1 87 87 GLN N N 15 117.003 0.3 . 1 . . . . 87 GLN N . 19982 1
357 . 1 1 89 89 THR H H 1 7.953 0.020 . 1 . . . . 89 THR H . 19982 1
358 . 1 1 89 89 THR C C 13 174.963 0.3 . 1 . . . . 89 THR C . 19982 1
359 . 1 1 89 89 THR CA C 13 61.982 0.3 . 1 . . . . 89 THR CA . 19982 1
360 . 1 1 89 89 THR CB C 13 71.332 0.3 . 1 . . . . 89 THR CB . 19982 1
361 . 1 1 89 89 THR N N 15 112.173 0.3 . 1 . . . . 89 THR N . 19982 1
362 . 1 1 90 90 VAL H H 1 9.371 0.020 . 1 . . . . 90 VAL H . 19982 1
363 . 1 1 90 90 VAL CA C 13 61.620 0.3 . 1 . . . . 90 VAL CA . 19982 1
364 . 1 1 90 90 VAL N N 15 125.445 0.3 . 1 . . . . 90 VAL N . 19982 1
365 . 1 1 91 91 SER H H 1 8.910 0.020 . 1 . . . . 91 SER H . 19982 1
366 . 1 1 91 91 SER C C 13 176.280 0.3 . 1 . . . . 91 SER C . 19982 1
367 . 1 1 91 91 SER CA C 13 55.925 0.3 . 1 . . . . 91 SER CA . 19982 1
368 . 1 1 91 91 SER N N 15 121.639 0.3 . 1 . . . . 91 SER N . 19982 1
369 . 1 1 92 92 LEU H H 1 9.007 0.020 . 1 . . . . 92 LEU H . 19982 1
370 . 1 1 92 92 LEU C C 13 180.085 0.3 . 1 . . . . 92 LEU C . 19982 1
371 . 1 1 92 92 LEU CA C 13 55.437 0.3 . 1 . . . . 92 LEU CA . 19982 1
372 . 1 1 92 92 LEU CB C 13 42.503 0.3 . 1 . . . . 92 LEU CB . 19982 1
373 . 1 1 92 92 LEU N N 15 124.800 0.3 . 1 . . . . 92 LEU N . 19982 1
374 . 1 1 93 93 GLY H H 1 8.208 0.020 . 1 . . . . 93 GLY H . 19982 1
375 . 1 1 93 93 GLY CA C 13 46.952 0.3 . 1 . . . . 93 GLY CA . 19982 1
376 . 1 1 93 93 GLY N N 15 105.782 0.3 . 1 . . . . 93 GLY N . 19982 1
377 . 1 1 94 94 GLY H H 1 7.108 0.020 . 1 . . . . 94 GLY H . 19982 1
378 . 1 1 94 94 GLY C C 13 172.621 0.3 . 1 . . . . 94 GLY C . 19982 1
379 . 1 1 94 94 GLY CA C 13 46.330 0.3 . 1 . . . . 94 GLY CA . 19982 1
380 . 1 1 94 94 GLY N N 15 107.559 0.3 . 1 . . . . 94 GLY N . 19982 1
381 . 1 1 95 95 PHE H H 1 8.002 0.020 . 1 . . . . 95 PHE H . 19982 1
382 . 1 1 95 95 PHE C C 13 175.303 0.3 . 1 . . . . 95 PHE C . 19982 1
383 . 1 1 95 95 PHE CA C 13 54.337 0.3 . 1 . . . . 95 PHE CA . 19982 1
384 . 1 1 95 95 PHE CB C 13 39.011 0.3 . 1 . . . . 95 PHE CB . 19982 1
385 . 1 1 95 95 PHE N N 15 121.561 0.3 . 1 . . . . 95 PHE N . 19982 1
386 . 1 1 96 96 GLU H H 1 7.674 0.020 . 1 . . . . 96 GLU H . 19982 1
387 . 1 1 96 96 GLU C C 13 176.377 0.3 . 1 . . . . 96 GLU C . 19982 1
388 . 1 1 96 96 GLU CA C 13 56.684 0.3 . 1 . . . . 96 GLU CA . 19982 1
389 . 1 1 96 96 GLU CB C 13 28.681 0.3 . 1 . . . . 96 GLU CB . 19982 1
390 . 1 1 96 96 GLU N N 15 129.371 0.3 . 1 . . . . 96 GLU N . 19982 1
391 . 1 1 97 97 ILE H H 1 8.882 0.020 . 1 . . . . 97 ILE H . 19982 1
392 . 1 1 97 97 ILE CA C 13 60.791 0.3 . 1 . . . . 97 ILE CA . 19982 1
393 . 1 1 97 97 ILE CB C 13 42.051 0.3 . 1 . . . . 97 ILE CB . 19982 1
394 . 1 1 97 97 ILE N N 15 124.475 0.3 . 1 . . . . 97 ILE N . 19982 1
395 . 1 1 98 98 THR H H 1 9.282 0.020 . 1 . . . . 98 THR H . 19982 1
396 . 1 1 98 98 THR C C 13 172.368 0.3 . 1 . . . . 98 THR C . 19982 1
397 . 1 1 98 98 THR CA C 13 60.276 0.3 . 1 . . . . 98 THR CA . 19982 1
398 . 1 1 98 98 THR CB C 13 69.938 0.3 . 1 . . . . 98 THR CB . 19982 1
399 . 1 1 98 98 THR N N 15 127.053 0.3 . 1 . . . . 98 THR N . 19982 1
400 . 1 1 101 101 VAL H H 1 8.423 0.020 . 1 . . . . 101 VAL H . 19982 1
401 . 1 1 101 101 VAL C C 13 172.987 0.3 . 1 . . . . 101 VAL C . 19982 1
402 . 1 1 101 101 VAL CA C 13 59.721 0.3 . 1 . . . . 101 VAL CA . 19982 1
403 . 1 1 101 101 VAL CB C 13 34.768 0.3 . 1 . . . . 101 VAL CB . 19982 1
404 . 1 1 101 101 VAL N N 15 117.236 0.3 . 1 . . . . 101 VAL N . 19982 1
405 . 1 1 102 102 VAL H H 1 8.463 0.020 . 1 . . . . 102 VAL H . 19982 1
406 . 1 1 102 102 VAL C C 13 175.328 0.3 . 1 . . . . 102 VAL C . 19982 1
407 . 1 1 102 102 VAL CA C 13 60.895 0.3 . 1 . . . . 102 VAL CA . 19982 1
408 . 1 1 102 102 VAL CB C 13 33.811 0.3 . 1 . . . . 102 VAL CB . 19982 1
409 . 1 1 102 102 VAL N N 15 126.859 0.3 . 1 . . . . 102 VAL N . 19982 1
410 . 1 1 103 103 LEU H H 1 9.222 0.020 . 1 . . . . 103 LEU H . 19982 1
411 . 1 1 103 103 LEU C C 13 174.888 0.3 . 1 . . . . 103 LEU C . 19982 1
412 . 1 1 103 103 LEU CA C 13 53.051 0.3 . 1 . . . . 103 LEU CA . 19982 1
413 . 1 1 103 103 LEU CB C 13 44.598 0.3 . 1 . . . . 103 LEU CB . 19982 1
414 . 1 1 103 103 LEU N N 15 126.279 0.3 . 1 . . . . 103 LEU N . 19982 1
415 . 1 1 104 104 ARG H H 1 8.883 0.020 . 1 . . . . 104 ARG H . 19982 1
416 . 1 1 104 104 ARG CA C 13 54.625 0.3 . 1 . . . . 104 ARG CA . 19982 1
417 . 1 1 104 104 ARG N N 15 116.320 0.3 . 1 . . . . 104 ARG N . 19982 1
418 . 1 1 105 105 LEU H H 1 9.282 0.020 . 1 . . . . 105 LEU H . 19982 1
419 . 1 1 105 105 LEU C C 13 177.085 0.3 . 1 . . . . 105 LEU C . 19982 1
420 . 1 1 105 105 LEU CA C 13 53.370 0.3 . 1 . . . . 105 LEU CA . 19982 1
421 . 1 1 105 105 LEU CB C 13 40.574 0.3 . 1 . . . . 105 LEU CB . 19982 1
422 . 1 1 105 105 LEU N N 15 120.965 0.3 . 1 . . . . 105 LEU N . 19982 1
423 . 1 1 106 106 LYS H H 1 8.667 0.020 . 1 . . . . 106 LYS H . 19982 1
424 . 1 1 106 106 LYS C C 13 176.767 0.3 . 1 . . . . 106 LYS C . 19982 1
425 . 1 1 106 106 LYS CA C 13 56.960 0.3 . 1 . . . . 106 LYS CA . 19982 1
426 . 1 1 106 106 LYS CB C 13 33.028 0.3 . 1 . . . . 106 LYS CB . 19982 1
427 . 1 1 106 106 LYS N N 15 126.378 0.3 . 1 . . . . 106 LYS N . 19982 1
428 . 1 1 107 107 CYS H H 1 7.412 0.020 . 1 . . . . 107 CYS H . 19982 1
429 . 1 1 107 107 CYS C C 13 173.670 0.3 . 1 . . . . 107 CYS C . 19982 1
430 . 1 1 107 107 CYS CA C 13 57.293 0.3 . 1 . . . . 107 CYS CA . 19982 1
431 . 1 1 107 107 CYS CB C 13 29.853 0.3 . 1 . . . . 107 CYS CB . 19982 1
432 . 1 1 107 107 CYS N N 15 112.046 0.3 . 1 . . . . 107 CYS N . 19982 1
433 . 1 1 108 108 GLY H H 1 8.036 0.020 . 1 . . . . 108 GLY H . 19982 1
434 . 1 1 108 108 GLY C C 13 173.889 0.3 . 1 . . . . 108 GLY C . 19982 1
435 . 1 1 108 108 GLY CA C 13 43.445 0.3 . 1 . . . . 108 GLY CA . 19982 1
436 . 1 1 108 108 GLY N N 15 110.480 0.3 . 1 . . . . 108 GLY N . 19982 1
437 . 1 1 109 109 SER H H 1 8.197 0.020 . 1 . . . . 109 SER H . 19982 1
438 . 1 1 109 109 SER C C 13 177.713 0.3 . 1 . . . . 109 SER C . 19982 1
439 . 1 1 109 109 SER CA C 13 60.858 0.3 . 1 . . . . 109 SER CA . 19982 1
440 . 1 1 109 109 SER CB C 13 63.689 0.3 . 1 . . . . 109 SER CB . 19982 1
441 . 1 1 109 109 SER N N 15 114.486 0.3 . 1 . . . . 109 SER N . 19982 1
442 . 1 1 110 110 GLY H H 1 10.906 0.020 . 1 . . . . 110 GLY H . 19982 1
443 . 1 1 110 110 GLY C C 13 171.401 0.3 . 1 . . . . 110 GLY C . 19982 1
444 . 1 1 110 110 GLY CA C 13 43.848 0.3 . 1 . . . . 110 GLY CA . 19982 1
445 . 1 1 110 110 GLY N N 15 114.682 0.3 . 1 . . . . 110 GLY N . 19982 1
446 . 1 1 112 112 VAL H H 1 8.587 0.020 . 1 . . . . 112 VAL H . 19982 1
447 . 1 1 112 112 VAL C C 13 173.470 0.3 . 1 . . . . 112 VAL C . 19982 1
448 . 1 1 112 112 VAL CA C 13 60.720 0.3 . 1 . . . . 112 VAL CA . 19982 1
449 . 1 1 112 112 VAL CB C 13 34.975 0.3 . 1 . . . . 112 VAL CB . 19982 1
450 . 1 1 112 112 VAL N N 15 119.752 0.3 . 1 . . . . 112 VAL N . 19982 1
451 . 1 1 113 113 HIS H H 1 9.555 0.020 . 1 . . . . 113 HIS H . 19982 1
452 . 1 1 113 113 HIS CA C 13 54.887 0.3 . 1 . . . . 113 HIS CA . 19982 1
453 . 1 1 113 113 HIS N N 15 125.786 0.3 . 1 . . . . 113 HIS N . 19982 1
454 . 1 1 114 114 ILE H H 1 8.503 0.020 . 1 . . . . 114 ILE H . 19982 1
455 . 1 1 114 114 ILE CA C 13 59.411 0.3 . 1 . . . . 114 ILE CA . 19982 1
456 . 1 1 114 114 ILE N N 15 119.792 0.3 . 1 . . . . 114 ILE N . 19982 1
457 . 1 1 115 115 SER H H 1 9.291 0.020 . 1 . . . . 115 SER H . 19982 1
458 . 1 1 115 115 SER CA C 13 56.822 0.3 . 1 . . . . 115 SER CA . 19982 1
459 . 1 1 115 115 SER N N 15 121.853 0.3 . 1 . . . . 115 SER N . 19982 1
460 . 1 1 116 116 GLY H H 1 9.065 0.020 . 1 . . . . 116 GLY H . 19982 1
461 . 1 1 116 116 GLY CA C 13 46.710 0.3 . 1 . . . . 116 GLY CA . 19982 1
462 . 1 1 116 116 GLY N N 15 107.582 0.3 . 1 . . . . 116 GLY N . 19982 1
463 . 1 1 117 117 GLN H H 1 8.914 0.020 . 1 . . . . 117 GLN H . 19982 1
464 . 1 1 117 117 GLN CA C 13 53.417 0.3 . 1 . . . . 117 GLN CA . 19982 1
465 . 1 1 117 117 GLN CB C 13 32.560 0.3 . 1 . . . . 117 GLN CB . 19982 1
466 . 1 1 117 117 GLN N N 15 117.819 0.3 . 1 . . . . 117 GLN N . 19982 1
467 . 1 1 118 118 HIS H H 1 9.541 0.020 . 1 . . . . 118 HIS H . 19982 1
468 . 1 1 118 118 HIS C C 13 173.597 0.3 . 1 . . . . 118 HIS C . 19982 1
469 . 1 1 118 118 HIS CA C 13 53.107 0.3 . 1 . . . . 118 HIS CA . 19982 1
470 . 1 1 118 118 HIS CB C 13 32.536 0.3 . 1 . . . . 118 HIS CB . 19982 1
471 . 1 1 118 118 HIS N N 15 124.780 0.3 . 1 . . . . 118 HIS N . 19982 1
472 . 1 1 119 119 LEU H H 1 9.031 0.020 . 1 . . . . 119 LEU H . 19982 1
473 . 1 1 119 119 LEU C C 13 176.694 0.3 . 1 . . . . 119 LEU C . 19982 1
474 . 1 1 119 119 LEU CA C 13 53.751 0.3 . 1 . . . . 119 LEU CA . 19982 1
475 . 1 1 119 119 LEU CB C 13 42.215 0.3 . 1 . . . . 119 LEU CB . 19982 1
476 . 1 1 119 119 LEU N N 15 127.659 0.3 . 1 . . . . 119 LEU N . 19982 1
477 . 1 1 120 120 VAL H H 1 8.367 0.020 . 1 . . . . 120 VAL H . 19982 1
478 . 1 1 120 120 VAL C C 13 176.694 0.3 . 1 . . . . 120 VAL C . 19982 1
479 . 1 1 120 120 VAL CA C 13 60.998 0.3 . 1 . . . . 120 VAL CA . 19982 1
480 . 1 1 120 120 VAL N N 15 121.666 0.3 . 1 . . . . 120 VAL N . 19982 1
481 . 1 1 121 121 ALA H H 1 8.603 0.020 . 1 . . . . 121 ALA H . 19982 1
482 . 1 1 121 121 ALA C C 13 176.677 0.3 . 1 . . . . 121 ALA C . 19982 1
483 . 1 1 121 121 ALA CA C 13 50.859 0.3 . 1 . . . . 121 ALA CA . 19982 1
484 . 1 1 121 121 ALA N N 15 130.707 0.3 . 1 . . . . 121 ALA N . 19982 1
485 . 1 1 122 122 VAL H H 1 8.086 0.020 . 1 . . . . 122 VAL H . 19982 1
486 . 1 1 122 122 VAL C C 13 176.245 0.3 . 1 . . . . 122 VAL C . 19982 1
487 . 1 1 122 122 VAL CA C 13 61.396 0.3 . 1 . . . . 122 VAL CA . 19982 1
488 . 1 1 122 122 VAL CB C 13 32.571 0.3 . 1 . . . . 122 VAL CB . 19982 1
489 . 1 1 122 122 VAL N N 15 121.733 0.3 . 1 . . . . 122 VAL N . 19982 1
490 . 1 1 123 123 GLU H H 1 8.348 0.020 . 1 . . . . 123 GLU H . 19982 1
491 . 1 1 123 123 GLU C C 13 176.548 0.3 . 1 . . . . 123 GLU C . 19982 1
492 . 1 1 123 123 GLU CA C 13 55.851 0.3 . 1 . . . . 123 GLU CA . 19982 1
493 . 1 1 123 123 GLU CB C 13 30.158 0.3 . 1 . . . . 123 GLU CB . 19982 1
494 . 1 1 123 123 GLU N N 15 125.878 0.3 . 1 . . . . 123 GLU N . 19982 1
495 . 1 1 124 124 GLU H H 1 8.415 0.020 . 1 . . . . 124 GLU H . 19982 1
496 . 1 1 124 124 GLU C C 13 176.670 0.3 . 1 . . . . 124 GLU C . 19982 1
497 . 1 1 124 124 GLU CA C 13 56.356 0.3 . 1 . . . . 124 GLU CA . 19982 1
498 . 1 1 124 124 GLU CB C 13 30.008 0.3 . 1 . . . . 124 GLU CB . 19982 1
499 . 1 1 124 124 GLU N N 15 123.367 0.3 . 1 . . . . 124 GLU N . 19982 1
500 . 1 1 125 125 ASP H H 1 8.425 0.020 . 1 . . . . 125 ASP H . 19982 1
501 . 1 1 125 125 ASP C C 13 176.377 0.3 . 1 . . . . 125 ASP C . 19982 1
502 . 1 1 125 125 ASP CA C 13 54.193 0.3 . 1 . . . . 125 ASP CA . 19982 1
503 . 1 1 125 125 ASP CB C 13 40.951 0.3 . 1 . . . . 125 ASP CB . 19982 1
504 . 1 1 125 125 ASP N N 15 122.450 0.3 . 1 . . . . 125 ASP N . 19982 1
505 . 1 1 126 126 ALA H H 1 8.215 0.020 . 1 . . . . 126 ALA H . 19982 1
506 . 1 1 126 126 ALA C C 13 178.280 0.3 . 1 . . . . 126 ALA C . 19982 1
507 . 1 1 126 126 ALA CA C 13 52.224 0.3 . 1 . . . . 126 ALA CA . 19982 1
508 . 1 1 126 126 ALA CB C 13 19.003 0.3 . 1 . . . . 126 ALA CB . 19982 1
509 . 1 1 126 126 ALA N N 15 124.822 0.3 . 1 . . . . 126 ALA N . 19982 1
510 . 1 1 127 127 GLU H H 1 8.310 0.020 . 1 . . . . 127 GLU H . 19982 1
511 . 1 1 127 127 GLU C C 13 177.182 0.3 . 1 . . . . 127 GLU C . 19982 1
512 . 1 1 127 127 GLU CA C 13 56.322 0.3 . 1 . . . . 127 GLU CA . 19982 1
513 . 1 1 127 127 GLU CB C 13 29.666 0.3 . 1 . . . . 127 GLU CB . 19982 1
514 . 1 1 127 127 GLU N N 15 120.250 0.3 . 1 . . . . 127 GLU N . 19982 1
515 . 1 1 128 128 SER H H 1 8.269 0.020 . 1 . . . . 128 SER H . 19982 1
516 . 1 1 128 128 SER C C 13 174.963 0.3 . 1 . . . . 128 SER C . 19982 1
517 . 1 1 128 128 SER CA C 13 58.148 0.3 . 1 . . . . 128 SER CA . 19982 1
518 . 1 1 128 128 SER CB C 13 63.844 0.3 . 1 . . . . 128 SER CB . 19982 1
519 . 1 1 128 128 SER N N 15 117.065 0.3 . 1 . . . . 128 SER N . 19982 1
520 . 1 1 129 129 GLU H H 1 8.427 0.020 . 1 . . . . 129 GLU H . 19982 1
521 . 1 1 129 129 GLU C C 13 176.610 0.3 . 1 . . . . 129 GLU C . 19982 1
522 . 1 1 129 129 GLU CA C 13 56.408 0.3 . 1 . . . . 129 GLU CA . 19982 1
523 . 1 1 129 129 GLU CB C 13 30.076 0.3 . 1 . . . . 129 GLU CB . 19982 1
524 . 1 1 129 129 GLU N N 15 122.962 0.3 . 1 . . . . 129 GLU N . 19982 1
525 . 1 1 130 130 ASP H H 1 8.307 0.020 . 1 . . . . 130 ASP H . 19982 1
526 . 1 1 130 130 ASP C C 13 176.719 0.3 . 1 . . . . 130 ASP C . 19982 1
527 . 1 1 130 130 ASP CA C 13 54.494 0.3 . 1 . . . . 130 ASP CA . 19982 1
528 . 1 1 130 130 ASP CB C 13 40.951 0.3 . 1 . . . . 130 ASP CB . 19982 1
529 . 1 1 130 130 ASP N N 15 121.819 0.3 . 1 . . . . 130 ASP N . 19982 1
530 . 1 1 131 131 GLU H H 1 8.296 0.020 . 1 . . . . 131 GLU H . 19982 1
531 . 1 1 131 131 GLU C C 13 176.548 0.3 . 1 . . . . 131 GLU C . 19982 1
532 . 1 1 131 131 GLU CA C 13 56.316 0.3 . 1 . . . . 131 GLU CA . 19982 1
533 . 1 1 131 131 GLU CB C 13 30.008 0.3 . 1 . . . . 131 GLU CB . 19982 1
534 . 1 1 131 131 GLU N N 15 121.113 0.3 . 1 . . . . 131 GLU N . 19982 1
535 . 1 1 132 132 ASP H H 1 8.274 0.020 . 1 . . . . 132 ASP H . 19982 1
536 . 1 1 132 132 ASP C C 13 175.816 0.3 . 1 . . . . 132 ASP C . 19982 1
537 . 1 1 132 132 ASP CA C 13 54.524 0.3 . 1 . . . . 132 ASP CA . 19982 1
538 . 1 1 132 132 ASP CB C 13 40.984 0.3 . 1 . . . . 132 ASP CB . 19982 1
539 . 1 1 132 132 ASP N N 15 121.523 0.3 . 1 . . . . 132 ASP N . 19982 1
540 . 1 1 133 133 GLU H H 1 7.807 0.020 . 1 . . . . 133 GLU H . 19982 1
541 . 1 1 133 133 GLU C C 13 181.735 0.3 . 1 . . . . 133 GLU C . 19982 1
542 . 1 1 133 133 GLU CA C 13 58.045 0.3 . 1 . . . . 133 GLU CA . 19982 1
543 . 1 1 133 133 GLU CB C 13 30.732 0.3 . 1 . . . . 133 GLU CB . 19982 1
544 . 1 1 133 133 GLU N N 15 125.604 0.3 . 1 . . . . 133 GLU N . 19982 1
stop_
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