###################################
# 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_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_1
_Assigned_chem_shift_list.Entry_ID 5493
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 HNCA 1 $sample_1 . 5493 1
2 HN(CO)CA 1 $sample_1 . 5493 1
3 HNCO 1 $sample_1 . 5493 1
4 CBCA(CO)NH 1 $sample_1 . 5493 1
5 HNCACB 1 $sample_1 . 5493 1
6 '1H-15N NOESY-HSQC' 1 $sample_1 . 5493 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET CA C 13 53.890 0.05 . 1 . . . . . . . . 5493 1
2 . 1 1 1 1 MET CB C 13 32.050 0.05 . 1 . . . . . . . . 5493 1
3 . 1 1 1 1 MET C C 13 174.264 0.05 . 1 . . . . . . . . 5493 1
4 . 1 1 2 2 ILE N N 15 126.655 0.04 . 1 . . . . . . . . 5493 1
5 . 1 1 2 2 ILE H H 1 10.051 0.02 . 1 . . . . . . . . 5493 1
6 . 1 1 2 2 ILE CA C 13 62.106 0.05 . 1 . . . . . . . . 5493 1
7 . 1 1 2 2 ILE CB C 13 37.589 0.05 . 1 . . . . . . . . 5493 1
8 . 1 1 2 2 ILE C C 13 175.701 0.05 . 1 . . . . . . . . 5493 1
9 . 1 1 3 3 HIS N N 15 126.509 0.04 . 1 . . . . . . . . 5493 1
10 . 1 1 3 3 HIS H H 1 9.439 0.02 . 1 . . . . . . . . 5493 1
11 . 1 1 3 3 HIS CA C 13 57.706 0.05 . 1 . . . . . . . . 5493 1
12 . 1 1 3 3 HIS CB C 13 32.020 0.05 . 1 . . . . . . . . 5493 1
13 . 1 1 3 3 HIS C C 13 175.369 0.05 . 1 . . . . . . . . 5493 1
14 . 1 1 4 4 GLY N N 15 103.399 0.04 . 1 . . . . . . . . 5493 1
15 . 1 1 4 4 GLY H H 1 7.253 0.02 . 1 . . . . . . . . 5493 1
16 . 1 1 4 4 GLY CA C 13 44.322 0.05 . 1 . . . . . . . . 5493 1
17 . 1 1 4 4 GLY C C 13 170.636 0.05 . 1 . . . . . . . . 5493 1
18 . 1 1 5 5 ILE N N 15 111.709 0.04 . 1 . . . . . . . . 5493 1
19 . 1 1 5 5 ILE H H 1 8.475 0.02 . 1 . . . . . . . . 5493 1
20 . 1 1 5 5 ILE CA C 13 58.089 0.05 . 1 . . . . . . . . 5493 1
21 . 1 1 5 5 ILE CB C 13 39.737 0.05 . 1 . . . . . . . . 5493 1
22 . 1 1 5 5 ILE C C 13 173.224 0.05 . 1 . . . . . . . . 5493 1
23 . 1 1 6 6 GLY N N 15 106.580 0.04 . 1 . . . . . . . . 5493 1
24 . 1 1 6 6 GLY H H 1 8.747 0.02 . 1 . . . . . . . . 5493 1
25 . 1 1 6 6 GLY CA C 13 44.036 0.05 . 1 . . . . . . . . 5493 1
26 . 1 1 6 6 GLY C C 13 171.143 0.05 . 1 . . . . . . . . 5493 1
27 . 1 1 7 7 VAL N N 15 119.188 0.04 . 1 . . . . . . . . 5493 1
28 . 1 1 7 7 VAL H H 1 7.983 0.02 . 1 . . . . . . . . 5493 1
29 . 1 1 7 7 VAL CA C 13 57.566 0.05 . 1 . . . . . . . . 5493 1
30 . 1 1 7 7 VAL CB C 13 34.064 0.05 . 1 . . . . . . . . 5493 1
31 . 1 1 7 7 VAL C C 13 172.532 0.05 . 1 . . . . . . . . 5493 1
32 . 1 1 8 8 ASP N N 15 122.716 0.04 . 1 . . . . . . . . 5493 1
33 . 1 1 8 8 ASP H H 1 8.408 0.02 . 1 . . . . . . . . 5493 1
34 . 1 1 8 8 ASP CA C 13 54.165 0.05 . 1 . . . . . . . . 5493 1
35 . 1 1 8 8 ASP CB C 13 45.188 0.05 . 1 . . . . . . . . 5493 1
36 . 1 1 8 8 ASP C C 13 171.741 0.05 . 1 . . . . . . . . 5493 1
37 . 1 1 9 9 LEU N N 15 126.471 0.04 . 1 . . . . . . . . 5493 1
38 . 1 1 9 9 LEU H H 1 8.014 0.02 . 1 . . . . . . . . 5493 1
39 . 1 1 9 9 LEU CA C 13 52.547 0.05 . 1 . . . . . . . . 5493 1
40 . 1 1 9 9 LEU CB C 13 44.077 0.05 . 1 . . . . . . . . 5493 1
41 . 1 1 9 9 LEU C C 13 172.866 0.05 . 1 . . . . . . . . 5493 1
42 . 1 1 10 10 ILE N N 15 122.700 0.04 . 1 . . . . . . . . 5493 1
43 . 1 1 10 10 ILE H H 1 9.220 0.02 . 1 . . . . . . . . 5493 1
44 . 1 1 10 10 ILE CA C 13 60.338 0.05 . 1 . . . . . . . . 5493 1
45 . 1 1 10 10 ILE CB C 13 38.952 0.05 . 1 . . . . . . . . 5493 1
46 . 1 1 10 10 ILE C C 13 174.383 0.05 . 1 . . . . . . . . 5493 1
47 . 1 1 11 11 GLU N N 15 125.803 0.04 . 1 . . . . . . . . 5493 1
48 . 1 1 11 11 GLU H H 1 8.870 0.02 . 1 . . . . . . . . 5493 1
49 . 1 1 11 11 GLU CA C 13 54.515 0.05 . 1 . . . . . . . . 5493 1
50 . 1 1 11 11 GLU CB C 13 29.126 0.05 . 1 . . . . . . . . 5493 1
51 . 1 1 11 11 GLU C C 13 176.824 0.05 . 1 . . . . . . . . 5493 1
52 . 1 1 12 12 ILE N N 15 129.024 0.04 . 1 . . . . . . . . 5493 1
53 . 1 1 12 12 ILE H H 1 8.228 0.02 . 1 . . . . . . . . 5493 1
54 . 1 1 12 12 ILE CA C 13 64.297 0.05 . 1 . . . . . . . . 5493 1
55 . 1 1 12 12 ILE CB C 13 35.340 0.05 . 1 . . . . . . . . 5493 1
56 . 1 1 12 12 ILE C C 13 177.552 0.05 . 1 . . . . . . . . 5493 1
57 . 1 1 13 13 ASP N N 15 117.348 0.04 . 1 . . . . . . . . 5493 1
58 . 1 1 13 13 ASP H H 1 9.080 0.02 . 1 . . . . . . . . 5493 1
59 . 1 1 13 13 ASP CA C 13 56.465 0.05 . 1 . . . . . . . . 5493 1
60 . 1 1 13 13 ASP CB C 13 39.508 0.05 . 1 . . . . . . . . 5493 1
61 . 1 1 13 13 ASP C C 13 178.765 0.05 . 1 . . . . . . . . 5493 1
62 . 1 1 14 14 ARG N N 15 117.847 0.04 . 1 . . . . . . . . 5493 1
63 . 1 1 14 14 ARG H H 1 7.109 0.02 . 1 . . . . . . . . 5493 1
64 . 1 1 14 14 ARG CA C 13 57.673 0.05 . 1 . . . . . . . . 5493 1
65 . 1 1 14 14 ARG CB C 13 28.667 0.05 . 1 . . . . . . . . 5493 1
66 . 1 1 14 14 ARG C C 13 178.759 0.05 . 1 . . . . . . . . 5493 1
67 . 1 1 15 15 ILE N N 15 119.337 0.04 . 1 . . . . . . . . 5493 1
68 . 1 1 15 15 ILE H H 1 7.255 0.02 . 1 . . . . . . . . 5493 1
69 . 1 1 15 15 ILE CA C 13 60.650 0.05 . 1 . . . . . . . . 5493 1
70 . 1 1 15 15 ILE CB C 13 33.819 0.05 . 1 . . . . . . . . 5493 1
71 . 1 1 15 15 ILE C C 13 177.259 0.05 . 1 . . . . . . . . 5493 1
72 . 1 1 16 16 GLN N N 15 120.847 0.04 . 1 . . . . . . . . 5493 1
73 . 1 1 16 16 GLN H H 1 8.651 0.02 . 1 . . . . . . . . 5493 1
74 . 1 1 16 16 GLN CA C 13 59.184 0.05 . 1 . . . . . . . . 5493 1
75 . 1 1 16 16 GLN CB C 13 27.053 0.05 . 1 . . . . . . . . 5493 1
76 . 1 1 16 16 GLN C C 13 178.166 0.05 . 1 . . . . . . . . 5493 1
77 . 1 1 17 17 ALA N N 15 120.578 0.04 . 1 . . . . . . . . 5493 1
78 . 1 1 17 17 ALA H H 1 7.684 0.02 . 1 . . . . . . . . 5493 1
79 . 1 1 17 17 ALA CA C 13 54.322 0.05 . 1 . . . . . . . . 5493 1
80 . 1 1 17 17 ALA CB C 13 17.028 0.05 . 1 . . . . . . . . 5493 1
81 . 1 1 17 17 ALA C C 13 180.311 0.05 . 1 . . . . . . . . 5493 1
82 . 1 1 18 18 LEU N N 15 119.355 0.04 . 1 . . . . . . . . 5493 1
83 . 1 1 18 18 LEU H H 1 7.800 0.02 . 1 . . . . . . . . 5493 1
84 . 1 1 18 18 LEU CA C 13 57.228 0.05 . 1 . . . . . . . . 5493 1
85 . 1 1 18 18 LEU CB C 13 40.850 0.05 . 1 . . . . . . . . 5493 1
86 . 1 1 18 18 LEU C C 13 178.471 0.05 . 1 . . . . . . . . 5493 1
87 . 1 1 19 19 TYR N N 15 118.239 0.04 . 1 . . . . . . . . 5493 1
88 . 1 1 19 19 TYR H H 1 8.602 0.02 . 1 . . . . . . . . 5493 1
89 . 1 1 19 19 TYR CA C 13 59.327 0.05 . 1 . . . . . . . . 5493 1
90 . 1 1 19 19 TYR CB C 13 38.090 0.05 . 1 . . . . . . . . 5493 1
91 . 1 1 19 19 TYR C C 13 176.562 0.05 . 1 . . . . . . . . 5493 1
92 . 1 1 20 20 SER N N 15 110.966 0.04 . 1 . . . . . . . . 5493 1
93 . 1 1 20 20 SER H H 1 8.025 0.02 . 1 . . . . . . . . 5493 1
94 . 1 1 20 20 SER CA C 13 60.368 0.05 . 1 . . . . . . . . 5493 1
95 . 1 1 20 20 SER CB C 13 62.604 0.05 . 1 . . . . . . . . 5493 1
96 . 1 1 20 20 SER C C 13 175.853 0.05 . 1 . . . . . . . . 5493 1
97 . 1 1 21 21 LYS N N 15 117.554 0.04 . 1 . . . . . . . . 5493 1
98 . 1 1 21 21 LYS H H 1 7.345 0.02 . 1 . . . . . . . . 5493 1
99 . 1 1 21 21 LYS CA C 13 56.459 0.05 . 1 . . . . . . . . 5493 1
100 . 1 1 21 21 LYS CB C 13 32.694 0.05 . 1 . . . . . . . . 5493 1
101 . 1 1 21 21 LYS C C 13 176.754 0.05 . 1 . . . . . . . . 5493 1
102 . 1 1 22 22 GLN N N 15 118.031 0.04 . 1 . . . . . . . . 5493 1
103 . 1 1 22 22 GLN H H 1 8.052 0.02 . 1 . . . . . . . . 5493 1
104 . 1 1 22 22 GLN CA C 13 52.257 0.05 . 1 . . . . . . . . 5493 1
105 . 1 1 22 22 GLN CB C 13 28.675 0.05 . 1 . . . . . . . . 5493 1
106 . 1 1 23 23 PRO CA C 13 64.135 0.05 . 1 . . . . . . . . 5493 1
107 . 1 1 23 23 PRO CB C 13 30.209 0.05 . 1 . . . . . . . . 5493 1
108 . 1 1 23 23 PRO C C 13 179.291 0.05 . 1 . . . . . . . . 5493 1
109 . 1 1 24 24 LYS N N 15 115.536 0.04 . 1 . . . . . . . . 5493 1
110 . 1 1 24 24 LYS H H 1 8.384 0.02 . 1 . . . . . . . . 5493 1
111 . 1 1 24 24 LYS CA C 13 56.866 0.05 . 1 . . . . . . . . 5493 1
112 . 1 1 24 24 LYS CB C 13 30.209 0.05 . 1 . . . . . . . . 5493 1
113 . 1 1 24 24 LYS C C 13 177.847 0.05 . 1 . . . . . . . . 5493 1
114 . 1 1 25 25 LEU N N 15 121.446 0.04 . 1 . . . . . . . . 5493 1
115 . 1 1 25 25 LEU H H 1 8.297 0.02 . 1 . . . . . . . . 5493 1
116 . 1 1 25 25 LEU CA C 13 57.372 0.05 . 1 . . . . . . . . 5493 1
117 . 1 1 25 25 LEU CB C 13 40.990 0.05 . 1 . . . . . . . . 5493 1
118 . 1 1 25 25 LEU C C 13 178.812 0.05 . 1 . . . . . . . . 5493 1
119 . 1 1 26 26 VAL N N 15 112.873 0.04 . 1 . . . . . . . . 5493 1
120 . 1 1 26 26 VAL H H 1 7.475 0.02 . 1 . . . . . . . . 5493 1
121 . 1 1 26 26 VAL CA C 13 65.755 0.05 . 1 . . . . . . . . 5493 1
122 . 1 1 26 26 VAL CB C 13 30.060 0.05 . 1 . . . . . . . . 5493 1
123 . 1 1 26 26 VAL C C 13 176.782 0.05 . 1 . . . . . . . . 5493 1
124 . 1 1 27 27 GLU N N 15 116.340 0.04 . 1 . . . . . . . . 5493 1
125 . 1 1 27 27 GLU H H 1 7.605 0.02 . 1 . . . . . . . . 5493 1
126 . 1 1 27 27 GLU CA C 13 57.368 0.05 . 1 . . . . . . . . 5493 1
127 . 1 1 27 27 GLU CB C 13 28.369 0.05 . 1 . . . . . . . . 5493 1
128 . 1 1 27 27 GLU C C 13 175.466 0.05 . 1 . . . . . . . . 5493 1
129 . 1 1 28 28 ARG N N 15 115.146 0.04 . 1 . . . . . . . . 5493 1
130 . 1 1 28 28 ARG H H 1 7.459 0.02 . 1 . . . . . . . . 5493 1
131 . 1 1 28 28 ARG CA C 13 56.124 0.05 . 1 . . . . . . . . 5493 1
132 . 1 1 28 28 ARG CB C 13 29.544 0.05 . 1 . . . . . . . . 5493 1
133 . 1 1 28 28 ARG C C 13 176.672 0.05 . 1 . . . . . . . . 5493 1
134 . 1 1 29 29 ILE N N 15 113.734 0.04 . 1 . . . . . . . . 5493 1
135 . 1 1 29 29 ILE H H 1 7.290 0.02 . 1 . . . . . . . . 5493 1
136 . 1 1 29 29 ILE CA C 13 60.338 0.05 . 1 . . . . . . . . 5493 1
137 . 1 1 29 29 ILE CB C 13 38.952 0.05 . 1 . . . . . . . . 5493 1
138 . 1 1 29 29 ILE C C 13 174.179 0.05 . 1 . . . . . . . . 5493 1
139 . 1 1 30 30 LEU N N 15 116.286 0.04 . 1 . . . . . . . . 5493 1
140 . 1 1 30 30 LEU H H 1 7.801 0.02 . 1 . . . . . . . . 5493 1
141 . 1 1 30 30 LEU CA C 13 52.255 0.05 . 1 . . . . . . . . 5493 1
142 . 1 1 30 30 LEU CB C 13 41.012 0.05 . 1 . . . . . . . . 5493 1
143 . 1 1 30 30 LEU C C 13 177.940 0.05 . 1 . . . . . . . . 5493 1
144 . 1 1 31 31 THR N N 15 112.512 0.04 . 1 . . . . . . . . 5493 1
145 . 1 1 31 31 THR H H 1 9.539 0.02 . 1 . . . . . . . . 5493 1
146 . 1 1 31 31 THR CA C 13 60.219 0.05 . 1 . . . . . . . . 5493 1
147 . 1 1 31 31 THR CB C 13 69.959 0.05 . 1 . . . . . . . . 5493 1
148 . 1 1 31 31 THR C C 13 175.831 0.05 . 1 . . . . . . . . 5493 1
149 . 1 1 32 32 LYS N N 15 120.301 0.04 . 1 . . . . . . . . 5493 1
150 . 1 1 32 32 LYS H H 1 8.926 0.02 . 1 . . . . . . . . 5493 1
151 . 1 1 32 32 LYS CA C 13 59.367 0.05 . 1 . . . . . . . . 5493 1
152 . 1 1 32 32 LYS CB C 13 30.281 0.05 . 1 . . . . . . . . 5493 1
153 . 1 1 32 32 LYS C C 13 179.356 0.05 . 1 . . . . . . . . 5493 1
154 . 1 1 33 33 ASN N N 15 117.084 0.04 . 1 . . . . . . . . 5493 1
155 . 1 1 33 33 ASN H H 1 8.359 0.02 . 1 . . . . . . . . 5493 1
156 . 1 1 33 33 ASN CA C 13 55.045 0.05 . 1 . . . . . . . . 5493 1
157 . 1 1 33 33 ASN CB C 13 36.911 0.05 . 1 . . . . . . . . 5493 1
158 . 1 1 33 33 ASN C C 13 176.866 0.05 . 1 . . . . . . . . 5493 1
159 . 1 1 34 34 GLU N N 15 121.262 0.04 . 1 . . . . . . . . 5493 1
160 . 1 1 34 34 GLU H H 1 8.066 0.02 . 1 . . . . . . . . 5493 1
161 . 1 1 34 34 GLU CA C 13 58.647 0.05 . 1 . . . . . . . . 5493 1
162 . 1 1 34 34 GLU CB C 13 31.332 0.05 . 1 . . . . . . . . 5493 1
163 . 1 1 34 34 GLU C C 13 179.300 0.05 . 1 . . . . . . . . 5493 1
164 . 1 1 35 35 GLN N N 15 120.144 0.04 . 1 . . . . . . . . 5493 1
165 . 1 1 35 35 GLN H H 1 9.177 0.02 . 1 . . . . . . . . 5493 1
166 . 1 1 35 35 GLN CA C 13 58.751 0.05 . 1 . . . . . . . . 5493 1
167 . 1 1 35 35 GLN CB C 13 27.493 0.05 . 1 . . . . . . . . 5493 1
168 . 1 1 35 35 GLN C C 13 177.461 0.05 . 1 . . . . . . . . 5493 1
169 . 1 1 36 36 HIS N N 15 118.050 0.04 . 1 . . . . . . . . 5493 1
170 . 1 1 36 36 HIS H H 1 7.737 0.02 . 1 . . . . . . . . 5493 1
171 . 1 1 36 36 HIS CA C 13 58.910 0.05 . 1 . . . . . . . . 5493 1
172 . 1 1 36 36 HIS CB C 13 28.575 0.05 . 1 . . . . . . . . 5493 1
173 . 1 1 36 36 HIS C C 13 177.678 0.05 . 1 . . . . . . . . 5493 1
174 . 1 1 37 37 LYS N N 15 117.169 0.04 . 1 . . . . . . . . 5493 1
175 . 1 1 37 37 LYS H H 1 7.028 0.02 . 1 . . . . . . . . 5493 1
176 . 1 1 37 37 LYS CA C 13 58.303 0.05 . 1 . . . . . . . . 5493 1
177 . 1 1 37 37 LYS CB C 13 30.793 0.05 . 1 . . . . . . . . 5493 1
178 . 1 1 37 37 LYS C C 13 178.309 0.05 . 1 . . . . . . . . 5493 1
179 . 1 1 38 38 PHE N N 15 119.392 0.04 . 1 . . . . . . . . 5493 1
180 . 1 1 38 38 PHE H H 1 8.411 0.02 . 1 . . . . . . . . 5493 1
181 . 1 1 38 38 PHE CA C 13 60.624 0.05 . 1 . . . . . . . . 5493 1
182 . 1 1 38 38 PHE CB C 13 39.660 0.05 . 1 . . . . . . . . 5493 1
183 . 1 1 38 38 PHE C C 13 176.287 0.05 . 1 . . . . . . . . 5493 1
184 . 1 1 39 39 ASN N N 15 112.697 0.04 . 1 . . . . . . . . 5493 1
185 . 1 1 39 39 ASN H H 1 8.360 0.02 . 1 . . . . . . . . 5493 1
186 . 1 1 39 39 ASN CA C 13 53.887 0.05 . 1 . . . . . . . . 5493 1
187 . 1 1 39 39 ASN CB C 13 37.870 0.05 . 1 . . . . . . . . 5493 1
188 . 1 1 39 39 ASN C C 13 175.700 0.05 . 1 . . . . . . . . 5493 1
189 . 1 1 40 40 ASN N N 15 115.978 0.04 . 1 . . . . . . . . 5493 1
190 . 1 1 40 40 ASN H H 1 7.272 0.02 . 1 . . . . . . . . 5493 1
191 . 1 1 40 40 ASN CA C 13 52.796 0.05 . 1 . . . . . . . . 5493 1
192 . 1 1 40 40 ASN CB C 13 38.669 0.05 . 1 . . . . . . . . 5493 1
193 . 1 1 40 40 ASN C C 13 176.150 0.05 . 1 . . . . . . . . 5493 1
194 . 1 1 41 41 PHE N N 15 117.602 0.04 . 1 . . . . . . . . 5493 1
195 . 1 1 41 41 PHE H H 1 6.820 0.02 . 1 . . . . . . . . 5493 1
196 . 1 1 41 41 PHE CA C 13 58.359 0.05 . 1 . . . . . . . . 5493 1
197 . 1 1 41 41 PHE CB C 13 38.921 0.05 . 1 . . . . . . . . 5493 1
198 . 1 1 43 43 HIS H H 1 8.654 0.02 . 1 . . . . . . . . 5493 1
199 . 1 1 43 43 HIS N N 15 120.928 0.04 . 1 . . . . . . . . 5493 1
200 . 1 1 43 43 HIS CA C 13 61.400 0.05 . 1 . . . . . . . . 5493 1
201 . 1 1 43 43 HIS CB C 13 34.400 0.05 . 1 . . . . . . . . 5493 1
202 . 1 1 43 43 HIS C C 13 178.008 0.05 . 1 . . . . . . . . 5493 1
203 . 1 1 44 44 GLU N N 15 120.639 0.04 . 1 . . . . . . . . 5493 1
204 . 1 1 44 44 GLU H H 1 7.853 0.02 . 1 . . . . . . . . 5493 1
205 . 1 1 44 44 GLU CA C 13 59.178 0.05 . 1 . . . . . . . . 5493 1
206 . 1 1 44 44 GLU CB C 13 28.703 0.05 . 1 . . . . . . . . 5493 1
207 . 1 1 44 44 GLU C C 13 178.000 0.05 . 1 . . . . . . . . 5493 1
208 . 1 1 45 45 GLN N N 15 118.807 0.04 . 1 . . . . . . . . 5493 1
209 . 1 1 45 45 GLN H H 1 9.168 0.02 . 1 . . . . . . . . 5493 1
210 . 1 1 45 45 GLN CA C 13 58.053 0.05 . 1 . . . . . . . . 5493 1
211 . 1 1 45 45 GLN CB C 13 26.929 0.05 . 1 . . . . . . . . 5493 1
212 . 1 1 45 45 GLN C C 13 178.715 0.05 . 1 . . . . . . . . 5493 1
213 . 1 1 46 46 ARG N N 15 115.958 0.04 . 1 . . . . . . . . 5493 1
214 . 1 1 46 46 ARG H H 1 7.133 0.02 . 1 . . . . . . . . 5493 1
215 . 1 1 46 46 ARG CA C 13 56.757 0.05 . 1 . . . . . . . . 5493 1
216 . 1 1 46 46 ARG CB C 13 29.286 0.05 . 1 . . . . . . . . 5493 1
217 . 1 1 46 46 ARG C C 13 178.981 0.05 . 1 . . . . . . . . 5493 1
218 . 1 1 47 47 LYS N N 15 118.922 0.04 . 1 . . . . . . . . 5493 1
219 . 1 1 47 47 LYS H H 1 7.333 0.02 . 1 . . . . . . . . 5493 1
220 . 1 1 47 47 LYS CA C 13 59.249 0.05 . 1 . . . . . . . . 5493 1
221 . 1 1 47 47 LYS CB C 13 31.075 0.05 . 1 . . . . . . . . 5493 1
222 . 1 1 47 47 LYS C C 13 177.954 0.05 . 1 . . . . . . . . 5493 1
223 . 1 1 48 48 ILE N N 15 118.333 0.04 . 1 . . . . . . . . 5493 1
224 . 1 1 48 48 ILE H H 1 7.693 0.02 . 1 . . . . . . . . 5493 1
225 . 1 1 48 48 ILE CA C 13 61.449 0.05 . 1 . . . . . . . . 5493 1
226 . 1 1 48 48 ILE CB C 13 34.608 0.05 . 1 . . . . . . . . 5493 1
227 . 1 1 49 49 GLU C C 13 175.770 0.05 . 1 . . . . . . . . 5493 1
228 . 1 1 50 50 PHE N N 15 119.188 0.04 . 1 . . . . . . . . 5493 1
229 . 1 1 50 50 PHE H H 1 7.983 0.02 . 1 . . . . . . . . 5493 1
230 . 1 1 50 50 PHE CA C 13 60.455 0.05 . 1 . . . . . . . . 5493 1
231 . 1 1 50 50 PHE CB C 13 38.550 0.05 . 1 . . . . . . . . 5493 1
232 . 1 1 50 50 PHE C C 13 178.545 0.05 . 1 . . . . . . . . 5493 1
233 . 1 1 51 51 LEU N N 15 121.020 0.04 . 1 . . . . . . . . 5493 1
234 . 1 1 51 51 LEU H H 1 8.535 0.02 . 1 . . . . . . . . 5493 1
235 . 1 1 51 51 LEU CA C 13 57.546 0.05 . 1 . . . . . . . . 5493 1
236 . 1 1 51 51 LEU CB C 13 41.193 0.05 . 1 . . . . . . . . 5493 1
237 . 1 1 51 51 LEU C C 13 177.621 0.05 . 1 . . . . . . . . 5493 1
238 . 1 1 52 52 ALA N N 15 119.867 0.04 . 1 . . . . . . . . 5493 1
239 . 1 1 52 52 ALA H H 1 9.076 0.02 . 1 . . . . . . . . 5493 1
240 . 1 1 52 52 ALA CA C 13 54.669 0.05 . 1 . . . . . . . . 5493 1
241 . 1 1 52 52 ALA CB C 13 18.287 0.05 . 1 . . . . . . . . 5493 1
242 . 1 1 52 52 ALA C C 13 178.863 0.05 . 1 . . . . . . . . 5493 1
243 . 1 1 53 53 GLY N N 15 102.430 0.04 . 1 . . . . . . . . 5493 1
244 . 1 1 53 53 GLY H H 1 8.384 0.02 . 1 . . . . . . . . 5493 1
245 . 1 1 53 53 GLY CA C 13 46.278 0.05 . 1 . . . . . . . . 5493 1
246 . 1 1 53 53 GLY C C 13 177.204 0.05 . 1 . . . . . . . . 5493 1
247 . 1 1 54 54 ARG N N 15 121.072 0.04 . 1 . . . . . . . . 5493 1
248 . 1 1 54 54 ARG H H 1 7.900 0.02 . 1 . . . . . . . . 5493 1
249 . 1 1 54 54 ARG CA C 13 56.099 0.05 . 1 . . . . . . . . 5493 1
250 . 1 1 54 54 ARG CB C 13 29.334 0.05 . 1 . . . . . . . . 5493 1
251 . 1 1 54 54 ARG C C 13 179.288 0.05 . 1 . . . . . . . . 5493 1
252 . 1 1 55 55 PHE N N 15 121.684 0.04 . 1 . . . . . . . . 5493 1
253 . 1 1 55 55 PHE H H 1 8.701 0.02 . 1 . . . . . . . . 5493 1
254 . 1 1 55 55 PHE CA C 13 60.958 0.05 . 1 . . . . . . . . 5493 1
255 . 1 1 55 55 PHE C C 13 177.205 0.05 . 1 . . . . . . . . 5493 1
256 . 1 1 56 56 ALA N N 15 117.801 0.04 . 1 . . . . . . . . 5493 1
257 . 1 1 56 56 ALA H H 1 8.131 0.02 . 1 . . . . . . . . 5493 1
258 . 1 1 56 56 ALA CA C 13 53.481 0.05 . 1 . . . . . . . . 5493 1
259 . 1 1 56 56 ALA CB C 13 15.700 0.05 . 1 . . . . . . . . 5493 1
260 . 1 1 56 56 ALA C C 13 179.288 0.05 . 1 . . . . . . . . 5493 1
261 . 1 1 57 57 THR N N 15 114.158 0.04 . 1 . . . . . . . . 5493 1
262 . 1 1 57 57 THR H H 1 7.623 0.02 . 1 . . . . . . . . 5493 1
263 . 1 1 57 57 THR CA C 13 65.381 0.05 . 1 . . . . . . . . 5493 1
264 . 1 1 57 57 THR CB C 13 68.200 0.05 . 1 . . . . . . . . 5493 1
265 . 1 1 57 57 THR C C 13 175.456 0.05 . 1 . . . . . . . . 5493 1
266 . 1 1 58 58 LYS N N 15 120.906 0.04 . 1 . . . . . . . . 5493 1
267 . 1 1 58 58 LYS H H 1 7.952 0.02 . 1 . . . . . . . . 5493 1
268 . 1 1 58 58 LYS CA C 13 59.075 0.05 . 1 . . . . . . . . 5493 1
269 . 1 1 58 58 LYS CB C 13 28.200 0.05 . 1 . . . . . . . . 5493 1
270 . 1 1 58 58 LYS C C 13 178.572 0.05 . 1 . . . . . . . . 5493 1
271 . 1 1 59 59 GLU N N 15 120.380 0.04 . 1 . . . . . . . . 5493 1
272 . 1 1 59 59 GLU H H 1 7.817 0.02 . 1 . . . . . . . . 5493 1
273 . 1 1 59 59 GLU CA C 13 58.790 0.05 . 1 . . . . . . . . 5493 1
274 . 1 1 59 59 GLU CB C 13 28.200 0.05 . 1 . . . . . . . . 5493 1
275 . 1 1 59 59 GLU C C 13 179.080 0.05 . 1 . . . . . . . . 5493 1
276 . 1 1 60 60 ALA N N 15 121.627 0.04 . 1 . . . . . . . . 5493 1
277 . 1 1 60 60 ALA H H 1 8.509 0.02 . 1 . . . . . . . . 5493 1
278 . 1 1 60 60 ALA CA C 13 55.437 0.05 . 1 . . . . . . . . 5493 1
279 . 1 1 60 60 ALA CB C 13 15.700 0.05 . 1 . . . . . . . . 5493 1
280 . 1 1 60 60 ALA C C 13 179.002 0.05 . 1 . . . . . . . . 5493 1
281 . 1 1 61 61 PHE N N 15 118.040 0.04 . 1 . . . . . . . . 5493 1
282 . 1 1 61 61 PHE H H 1 8.780 0.02 . 1 . . . . . . . . 5493 1
283 . 1 1 61 61 PHE CA C 13 60.973 0.05 . 1 . . . . . . . . 5493 1
284 . 1 1 61 61 PHE CB C 13 37.625 0.05 . 1 . . . . . . . . 5493 1
285 . 1 1 61 61 PHE C C 13 175.604 0.05 . 1 . . . . . . . . 5493 1
286 . 1 1 62 62 SER N N 15 113.730 0.04 . 1 . . . . . . . . 5493 1
287 . 1 1 62 62 SER H H 1 8.006 0.02 . 1 . . . . . . . . 5493 1
288 . 1 1 62 62 SER CA C 13 61.260 0.05 . 1 . . . . . . . . 5493 1
289 . 1 1 62 62 SER CB C 13 62.870 0.05 . 1 . . . . . . . . 5493 1
290 . 1 1 62 62 SER C C 13 179.100 0.05 . 1 . . . . . . . . 5493 1
291 . 1 1 63 63 LYS N N 15 121.037 0.04 . 1 . . . . . . . . 5493 1
292 . 1 1 63 63 LYS H H 1 8.053 0.02 . 1 . . . . . . . . 5493 1
293 . 1 1 63 63 LYS CA C 13 58.760 0.05 . 1 . . . . . . . . 5493 1
294 . 1 1 63 63 LYS CB C 13 32.170 0.05 . 1 . . . . . . . . 5493 1
295 . 1 1 63 63 LYS C C 13 178.266 0.05 . 1 . . . . . . . . 5493 1
296 . 1 1 64 64 ALA N N 15 121.047 0.04 . 1 . . . . . . . . 5493 1
297 . 1 1 64 64 ALA H H 1 7.606 0.02 . 1 . . . . . . . . 5493 1
298 . 1 1 64 64 ALA CA C 13 53.936 0.05 . 1 . . . . . . . . 5493 1
299 . 1 1 64 64 ALA CB C 13 17.325 0.05 . 1 . . . . . . . . 5493 1
300 . 1 1 64 64 ALA C C 13 178.432 0.05 . 1 . . . . . . . . 5493 1
301 . 1 1 65 65 LEU N N 15 116.806 0.04 . 1 . . . . . . . . 5493 1
302 . 1 1 65 65 LEU H H 1 7.752 0.02 . 1 . . . . . . . . 5493 1
303 . 1 1 65 65 LEU CA C 13 56.192 0.05 . 1 . . . . . . . . 5493 1
304 . 1 1 65 65 LEU CB C 13 41.228 0.05 . 1 . . . . . . . . 5493 1
305 . 1 1 65 65 LEU C C 13 179.539 0.05 . 1 . . . . . . . . 5493 1
306 . 1 1 66 66 GLY N N 15 105.042 0.04 . 1 . . . . . . . . 5493 1
307 . 1 1 66 66 GLY H H 1 7.509 0.02 . 1 . . . . . . . . 5493 1
308 . 1 1 66 66 GLY CA C 13 44.381 0.05 . 1 . . . . . . . . 5493 1
309 . 1 1 66 66 GLY C C 13 174.426 0.05 . 1 . . . . . . . . 5493 1
310 . 1 1 67 67 THR N N 15 112.524 0.04 . 1 . . . . . . . . 5493 1
311 . 1 1 67 67 THR H H 1 8.284 0.02 . 1 . . . . . . . . 5493 1
312 . 1 1 67 67 THR CA C 13 61.898 0.05 . 1 . . . . . . . . 5493 1
313 . 1 1 67 67 THR CB C 13 68.820 0.05 . 1 . . . . . . . . 5493 1
314 . 1 1 67 67 THR C C 13 175.721 0.05 . 1 . . . . . . . . 5493 1
315 . 1 1 68 68 GLY N N 15 109.544 0.04 . 1 . . . . . . . . 5493 1
316 . 1 1 68 68 GLY H H 1 8.432 0.02 . 1 . . . . . . . . 5493 1
317 . 1 1 68 68 GLY CA C 13 45.226 0.05 . 1 . . . . . . . . 5493 1
318 . 1 1 68 68 GLY C C 13 174.515 0.05 . 1 . . . . . . . . 5493 1
319 . 1 1 69 69 LEU N N 15 120.430 0.04 . 1 . . . . . . . . 5493 1
320 . 1 1 69 69 LEU H H 1 8.327 0.02 . 1 . . . . . . . . 5493 1
321 . 1 1 69 69 LEU CA C 13 54.895 0.05 . 1 . . . . . . . . 5493 1
322 . 1 1 69 69 LEU CB C 13 40.802 0.05 . 1 . . . . . . . . 5493 1
323 . 1 1 69 69 LEU C C 13 178.323 0.05 . 1 . . . . . . . . 5493 1
324 . 1 1 70 70 GLY N N 15 107.956 0.04 . 1 . . . . . . . . 5493 1
325 . 1 1 70 70 GLY H H 1 8.350 0.02 . 1 . . . . . . . . 5493 1
326 . 1 1 70 70 GLY CA C 13 44.990 0.05 . 1 . . . . . . . . 5493 1
327 . 1 1 70 70 GLY C C 13 174.195 0.05 . 1 . . . . . . . . 5493 1
328 . 1 1 71 71 LYS N N 15 119.219 0.04 . 1 . . . . . . . . 5493 1
329 . 1 1 71 71 LYS H H 1 7.635 0.02 . 1 . . . . . . . . 5493 1
330 . 1 1 71 71 LYS CA C 13 55.515 0.05 . 1 . . . . . . . . 5493 1
331 . 1 1 71 71 LYS CB C 13 31.890 0.05 . 1 . . . . . . . . 5493 1
332 . 1 1 71 71 LYS C C 13 175.854 0.05 . 1 . . . . . . . . 5493 1
333 . 1 1 72 72 HIS N N 15 119.418 0.04 . 1 . . . . . . . . 5493 1
334 . 1 1 72 72 HIS H H 1 8.229 0.02 . 1 . . . . . . . . 5493 1
335 . 1 1 72 72 HIS CA C 13 55.336 0.05 . 1 . . . . . . . . 5493 1
336 . 1 1 72 72 HIS CB C 13 29.897 0.05 . 1 . . . . . . . . 5493 1
337 . 1 1 72 72 HIS C C 13 174.857 0.05 . 1 . . . . . . . . 5493 1
338 . 1 1 73 73 VAL N N 15 122.993 0.04 . 1 . . . . . . . . 5493 1
339 . 1 1 73 73 VAL H H 1 7.919 0.02 . 1 . . . . . . . . 5493 1
340 . 1 1 73 73 VAL CA C 13 61.070 0.05 . 1 . . . . . . . . 5493 1
341 . 1 1 73 73 VAL CB C 13 31.828 0.05 . 1 . . . . . . . . 5493 1
342 . 1 1 73 73 VAL C C 13 174.434 0.05 . 1 . . . . . . . . 5493 1
343 . 1 1 74 74 ALA N N 15 129.774 0.04 . 1 . . . . . . . . 5493 1
344 . 1 1 74 74 ALA H H 1 8.865 0.02 . 1 . . . . . . . . 5493 1
345 . 1 1 74 74 ALA CA C 13 50.333 0.05 . 1 . . . . . . . . 5493 1
346 . 1 1 74 74 ALA CB C 13 18.796 0.05 . 1 . . . . . . . . 5493 1
347 . 1 1 74 74 ALA C C 13 179.087 0.05 . 1 . . . . . . . . 5493 1
348 . 1 1 75 75 PHE N N 15 122.170 0.04 . 1 . . . . . . . . 5493 1
349 . 1 1 75 75 PHE H H 1 9.037 0.02 . 1 . . . . . . . . 5493 1
350 . 1 1 75 75 PHE CA C 13 58.509 0.05 . 1 . . . . . . . . 5493 1
351 . 1 1 75 75 PHE CB C 13 35.100 0.05 . 1 . . . . . . . . 5493 1
352 . 1 1 75 75 PHE C C 13 177.254 0.05 . 1 . . . . . . . . 5493 1
353 . 1 1 76 76 ASN N N 15 111.200 0.04 . 1 . . . . . . . . 5493 1
354 . 1 1 76 76 ASN H H 1 7.877 0.02 . 1 . . . . . . . . 5493 1
355 . 1 1 76 76 ASN CA C 13 53.121 0.05 . 1 . . . . . . . . 5493 1
356 . 1 1 76 76 ASN CB C 13 35.393 0.05 . 1 . . . . . . . . 5493 1
357 . 1 1 76 76 ASN C C 13 173.624 0.05 . 1 . . . . . . . . 5493 1
358 . 1 1 77 77 ASP N N 15 116.098 0.04 . 1 . . . . . . . . 5493 1
359 . 1 1 77 77 ASP H H 1 7.685 0.02 . 1 . . . . . . . . 5493 1
360 . 1 1 77 77 ASP CA C 13 53.696 0.05 . 1 . . . . . . . . 5493 1
361 . 1 1 77 77 ASP CB C 13 41.722 0.05 . 1 . . . . . . . . 5493 1
362 . 1 1 77 77 ASP C C 13 176.003 0.05 . 1 . . . . . . . . 5493 1
363 . 1 1 78 78 ILE N N 15 121.728 0.04 . 1 . . . . . . . . 5493 1
364 . 1 1 78 78 ILE H H 1 7.136 0.02 . 1 . . . . . . . . 5493 1
365 . 1 1 78 78 ILE CA C 13 59.185 0.05 . 1 . . . . . . . . 5493 1
366 . 1 1 78 78 ILE CB C 13 37.347 0.05 . 1 . . . . . . . . 5493 1
367 . 1 1 78 78 ILE C C 13 172.983 0.05 . 1 . . . . . . . . 5493 1
368 . 1 1 79 79 ASP N N 15 126.458 0.04 . 1 . . . . . . . . 5493 1
369 . 1 1 79 79 ASP H H 1 8.709 0.02 . 1 . . . . . . . . 5493 1
370 . 1 1 79 79 ASP CA C 13 53.042 0.05 . 1 . . . . . . . . 5493 1
371 . 1 1 79 79 ASP CB C 13 41.584 0.05 . 1 . . . . . . . . 5493 1
372 . 1 1 79 79 ASP C C 13 174.539 0.05 . 1 . . . . . . . . 5493 1
373 . 1 1 80 80 CYS N N 15 126.785 0.04 . 1 . . . . . . . . 5493 1
374 . 1 1 80 80 CYS H H 1 7.959 0.02 . 1 . . . . . . . . 5493 1
375 . 1 1 80 80 CYS CA C 13 56.170 0.05 . 1 . . . . . . . . 5493 1
376 . 1 1 80 80 CYS CB C 13 25.600 0.05 . 1 . . . . . . . . 5493 1
377 . 1 1 90 90 ILE H H 1 7.500 0.04 . 1 . . . . . . . . 5493 1
378 . 1 1 90 90 ILE N N 15 118.060 0.02 . 1 . . . . . . . . 5493 1
379 . 1 1 90 90 ILE CA C 13 59.450 0.05 . 1 . . . . . . . . 5493 1
380 . 1 1 90 90 ILE CB C 13 43.200 0.05 . 1 . . . . . . . . 5493 1
381 . 1 1 90 90 ILE C C 13 173.903 0.05 . 1 . . . . . . . . 5493 1
382 . 1 1 91 91 ASP N N 15 126.213 0.04 . 1 . . . . . . . . 5493 1
383 . 1 1 91 91 ASP H H 1 9.465 0.02 . 1 . . . . . . . . 5493 1
384 . 1 1 91 91 ASP CA C 13 52.640 0.05 . 1 . . . . . . . . 5493 1
385 . 1 1 91 91 ASP CB C 13 40.792 0.05 . 1 . . . . . . . . 5493 1
386 . 1 1 91 91 ASP C C 13 174.720 0.05 . 1 . . . . . . . . 5493 1
387 . 1 1 92 92 TYR N N 15 126.071 0.04 . 1 . . . . . . . . 5493 1
388 . 1 1 92 92 TYR H H 1 9.369 0.02 . 1 . . . . . . . . 5493 1
389 . 1 1 92 92 TYR CA C 13 58.422 0.05 . 1 . . . . . . . . 5493 1
390 . 1 1 92 92 TYR CB C 13 40.974 0.05 . 1 . . . . . . . . 5493 1
391 . 1 1 92 92 TYR C C 13 173.415 0.05 . 1 . . . . . . . . 5493 1
392 . 1 1 93 93 GLU N N 15 127.302 0.04 . 1 . . . . . . . . 5493 1
393 . 1 1 93 93 GLU H H 1 8.033 0.02 . 1 . . . . . . . . 5493 1
394 . 1 1 93 93 GLU CA C 13 57.879 0.05 . 1 . . . . . . . . 5493 1
395 . 1 1 93 93 GLU CB C 13 28.329 0.05 . 1 . . . . . . . . 5493 1
396 . 1 1 93 93 GLU C C 13 176.199 0.05 . 1 . . . . . . . . 5493 1
397 . 1 1 94 94 GLY N N 15 111.484 0.04 . 1 . . . . . . . . 5493 1
398 . 1 1 94 94 GLY H H 1 8.578 0.02 . 1 . . . . . . . . 5493 1
399 . 1 1 94 94 GLY CA C 13 43.855 0.05 . 1 . . . . . . . . 5493 1
400 . 1 1 94 94 GLY C C 13 173.996 0.05 . 1 . . . . . . . . 5493 1
401 . 1 1 95 95 PHE N N 15 116.871 0.04 . 1 . . . . . . . . 5493 1
402 . 1 1 95 95 PHE H H 1 8.164 0.02 . 1 . . . . . . . . 5493 1
403 . 1 1 95 95 PHE CA C 13 56.063 0.05 . 1 . . . . . . . . 5493 1
404 . 1 1 95 95 PHE CB C 13 42.613 0.05 . 1 . . . . . . . . 5493 1
405 . 1 1 95 95 PHE C C 13 175.048 0.05 . 1 . . . . . . . . 5493 1
406 . 1 1 96 96 ILE N N 15 122.748 0.04 . 1 . . . . . . . . 5493 1
407 . 1 1 96 96 ILE H H 1 9.156 0.02 . 1 . . . . . . . . 5493 1
408 . 1 1 96 96 ILE CA C 13 61.045 0.05 . 1 . . . . . . . . 5493 1
409 . 1 1 96 96 ILE CB C 13 37.454 0.05 . 1 . . . . . . . . 5493 1
410 . 1 1 96 96 ILE C C 13 174.887 0.05 . 1 . . . . . . . . 5493 1
411 . 1 1 97 97 VAL N N 15 126.945 0.04 . 1 . . . . . . . . 5493 1
412 . 1 1 97 97 VAL H H 1 8.807 0.02 . 1 . . . . . . . . 5493 1
413 . 1 1 97 97 VAL CA C 13 60.795 0.05 . 1 . . . . . . . . 5493 1
414 . 1 1 97 97 VAL CB C 13 30.760 0.05 . 1 . . . . . . . . 5493 1
415 . 1 1 97 97 VAL C C 13 175.013 0.05 . 1 . . . . . . . . 5493 1
416 . 1 1 98 98 HIS N N 15 127.609 0.04 . 1 . . . . . . . . 5493 1
417 . 1 1 98 98 HIS H H 1 8.837 0.02 . 1 . . . . . . . . 5493 1
418 . 1 1 98 98 HIS CA C 13 54.196 0.05 . 1 . . . . . . . . 5493 1
419 . 1 1 98 98 HIS CB C 13 31.887 0.05 . 1 . . . . . . . . 5493 1
420 . 1 1 98 98 HIS C C 13 174.208 0.05 . 1 . . . . . . . . 5493 1
421 . 1 1 99 99 VAL N N 15 121.684 0.04 . 1 . . . . . . . . 5493 1
422 . 1 1 99 99 VAL H H 1 8.701 0.02 . 1 . . . . . . . . 5493 1
423 . 1 1 99 99 VAL CA C 13 59.379 0.05 . 1 . . . . . . . . 5493 1
424 . 1 1 99 99 VAL CB C 13 34.156 0.05 . 1 . . . . . . . . 5493 1
425 . 1 1 99 99 VAL C C 13 175.046 0.05 . 1 . . . . . . . . 5493 1
426 . 1 1 100 100 SER N N 15 118.020 0.04 . 1 . . . . . . . . 5493 1
427 . 1 1 100 100 SER H H 1 8.590 0.02 . 1 . . . . . . . . 5493 1
428 . 1 1 100 100 SER CA C 13 57.115 0.05 . 1 . . . . . . . . 5493 1
429 . 1 1 100 100 SER CB C 13 63.580 0.05 . 1 . . . . . . . . 5493 1
430 . 1 1 100 100 SER C C 13 171.530 0.05 . 1 . . . . . . . . 5493 1
431 . 1 1 101 101 ILE N N 15 124.154 0.04 . 1 . . . . . . . . 5493 1
432 . 1 1 101 101 ILE H H 1 7.839 0.02 . 1 . . . . . . . . 5493 1
433 . 1 1 101 101 ILE CA C 13 59.214 0.05 . 1 . . . . . . . . 5493 1
434 . 1 1 101 101 ILE CB C 13 40.700 0.05 . 1 . . . . . . . . 5493 1
435 . 1 1 101 101 ILE C C 13 175.384 0.05 . 1 . . . . . . . . 5493 1
436 . 1 1 102 102 SER N N 15 118.629 0.04 . 1 . . . . . . . . 5493 1
437 . 1 1 102 102 SER H H 1 8.697 0.02 . 1 . . . . . . . . 5493 1
438 . 1 1 102 102 SER CA C 13 56.448 0.05 . 1 . . . . . . . . 5493 1
439 . 1 1 102 102 SER CB C 13 64.450 0.05 . 1 . . . . . . . . 5493 1
440 . 1 1 102 102 SER C C 13 174.193 0.05 . 1 . . . . . . . . 5493 1
441 . 1 1 103 103 HIS N N 15 121.006 0.04 . 1 . . . . . . . . 5493 1
442 . 1 1 103 103 HIS H H 1 7.493 0.02 . 1 . . . . . . . . 5493 1
443 . 1 1 103 103 HIS CA C 13 55.423 0.05 . 1 . . . . . . . . 5493 1
444 . 1 1 103 103 HIS CB C 13 31.826 0.05 . 1 . . . . . . . . 5493 1
445 . 1 1 103 103 HIS C C 13 174.771 0.05 . 1 . . . . . . . . 5493 1
446 . 1 1 104 104 THR N N 15 113.506 0.04 . 1 . . . . . . . . 5493 1
447 . 1 1 104 104 THR H H 1 9.086 0.02 . 1 . . . . . . . . 5493 1
448 . 1 1 104 104 THR CA C 13 59.606 0.05 . 1 . . . . . . . . 5493 1
449 . 1 1 104 104 THR CB C 13 69.110 0.05 . 1 . . . . . . . . 5493 1
450 . 1 1 104 104 THR C C 13 173.877 0.05 . 1 . . . . . . . . 5493 1
451 . 1 1 105 105 GLU N N 15 116.733 0.04 . 1 . . . . . . . . 5493 1
452 . 1 1 105 105 GLU H H 1 8.280 0.02 . 1 . . . . . . . . 5493 1
453 . 1 1 105 105 GLU CA C 13 59.250 0.05 . 1 . . . . . . . . 5493 1
454 . 1 1 105 105 GLU CB C 13 29.080 0.05 . 1 . . . . . . . . 5493 1
455 . 1 1 105 105 GLU C C 13 175.930 0.05 . 1 . . . . . . . . 5493 1
456 . 1 1 106 106 HIS N N 15 121.595 0.04 . 1 . . . . . . . . 5493 1
457 . 1 1 106 106 HIS H H 1 8.326 0.02 . 1 . . . . . . . . 5493 1
458 . 1 1 106 106 HIS CA C 13 55.670 0.05 . 1 . . . . . . . . 5493 1
459 . 1 1 106 106 HIS CB C 13 30.550 0.05 . 1 . . . . . . . . 5493 1
460 . 1 1 106 106 HIS C C 13 175.355 0.05 . 1 . . . . . . . . 5493 1
461 . 1 1 107 107 TYR N N 15 118.333 0.04 . 1 . . . . . . . . 5493 1
462 . 1 1 107 107 TYR H H 1 7.663 0.02 . 1 . . . . . . . . 5493 1
463 . 1 1 107 107 TYR CA C 13 57.170 0.05 . 1 . . . . . . . . 5493 1
464 . 1 1 107 107 TYR CB C 13 42.200 0.05 . 1 . . . . . . . . 5493 1
465 . 1 1 107 107 TYR C C 13 173.527 0.05 . 1 . . . . . . . . 5493 1
466 . 1 1 108 108 ALA N N 15 121.120 0.04 . 1 . . . . . . . . 5493 1
467 . 1 1 108 108 ALA H H 1 9.117 0.02 . 1 . . . . . . . . 5493 1
468 . 1 1 108 108 ALA CA C 13 49.511 0.05 . 1 . . . . . . . . 5493 1
469 . 1 1 108 108 ALA CB C 13 21.284 0.05 . 1 . . . . . . . . 5493 1
470 . 1 1 108 108 ALA C C 13 174.239 0.05 . 1 . . . . . . . . 5493 1
471 . 1 1 109 109 MET N N 15 118.229 0.04 . 1 . . . . . . . . 5493 1
472 . 1 1 109 109 MET H H 1 9.068 0.02 . 1 . . . . . . . . 5493 1
473 . 1 1 109 109 MET CA C 13 53.017 0.05 . 1 . . . . . . . . 5493 1
474 . 1 1 109 109 MET CB C 13 35.961 0.05 . 1 . . . . . . . . 5493 1
475 . 1 1 109 109 MET C C 13 173.108 0.05 . 1 . . . . . . . . 5493 1
476 . 1 1 110 110 SER N N 15 114.419 0.04 . 1 . . . . . . . . 5493 1
477 . 1 1 110 110 SER H H 1 8.248 0.02 . 1 . . . . . . . . 5493 1
478 . 1 1 110 110 SER CA C 13 55.013 0.05 . 1 . . . . . . . . 5493 1
479 . 1 1 110 110 SER CB C 13 63.914 0.05 . 1 . . . . . . . . 5493 1
480 . 1 1 110 110 SER C C 13 172.305 0.05 . 1 . . . . . . . . 5493 1
481 . 1 1 111 111 GLN N N 15 123.910 0.04 . 1 . . . . . . . . 5493 1
482 . 1 1 111 111 GLN H H 1 8.623 0.02 . 1 . . . . . . . . 5493 1
483 . 1 1 111 111 GLN CA C 13 53.039 0.05 . 1 . . . . . . . . 5493 1
484 . 1 1 111 111 GLN CB C 13 31.581 0.05 . 1 . . . . . . . . 5493 1
485 . 1 1 111 111 GLN C C 13 173.081 0.05 . 1 . . . . . . . . 5493 1
486 . 1 1 112 112 VAL N N 15 121.444 0.04 . 1 . . . . . . . . 5493 1
487 . 1 1 112 112 VAL H H 1 8.854 0.02 . 1 . . . . . . . . 5493 1
488 . 1 1 112 112 VAL CA C 13 59.157 0.05 . 1 . . . . . . . . 5493 1
489 . 1 1 112 112 VAL CB C 13 34.950 0.05 . 1 . . . . . . . . 5493 1
490 . 1 1 112 112 VAL C C 13 175.505 0.05 . 1 . . . . . . . . 5493 1
491 . 1 1 113 113 VAL N N 15 125.012 0.04 . 1 . . . . . . . . 5493 1
492 . 1 1 113 113 VAL H H 1 8.953 0.02 . 1 . . . . . . . . 5493 1
493 . 1 1 113 113 VAL CA C 13 61.017 0.05 . 1 . . . . . . . . 5493 1
494 . 1 1 113 113 VAL CB C 13 34.670 0.05 . 1 . . . . . . . . 5493 1
495 . 1 1 113 113 VAL C C 13 173.906 0.05 . 1 . . . . . . . . 5493 1
496 . 1 1 114 114 LEU N N 15 124.884 0.04 . 1 . . . . . . . . 5493 1
497 . 1 1 114 114 LEU H H 1 8.463 0.02 . 1 . . . . . . . . 5493 1
498 . 1 1 114 114 LEU CA C 13 52.411 0.05 . 1 . . . . . . . . 5493 1
499 . 1 1 114 114 LEU CB C 13 43.032 0.05 . 1 . . . . . . . . 5493 1
500 . 1 1 114 114 LEU C C 13 176.160 0.05 . 1 . . . . . . . . 5493 1
501 . 1 1 115 115 GLU N N 15 124.499 0.04 . 1 . . . . . . . . 5493 1
502 . 1 1 115 115 GLU H H 1 9.702 0.02 . 1 . . . . . . . . 5493 1
503 . 1 1 115 115 GLU CA C 13 54.341 0.05 . 1 . . . . . . . . 5493 1
504 . 1 1 115 115 GLU CB C 13 33.277 0.05 . 1 . . . . . . . . 5493 1
505 . 1 1 115 115 GLU C C 13 175.592 0.05 . 1 . . . . . . . . 5493 1
506 . 1 1 116 116 LYS N N 15 121.781 0.04 . 1 . . . . . . . . 5493 1
507 . 1 1 116 116 LYS H H 1 8.760 0.02 . 1 . . . . . . . . 5493 1
508 . 1 1 116 116 LYS CA C 13 55.956 0.05 . 1 . . . . . . . . 5493 1
509 . 1 1 116 116 LYS CB C 13 32.914 0.05 . 1 . . . . . . . . 5493 1
510 . 1 1 116 116 LYS C C 13 176.202 0.05 . 1 . . . . . . . . 5493 1
511 . 1 1 117 117 SER N N 15 117.443 0.04 . 1 . . . . . . . . 5493 1
512 . 1 1 117 117 SER H H 1 8.141 0.02 . 1 . . . . . . . . 5493 1
513 . 1 1 117 117 SER CA C 13 57.554 0.05 . 1 . . . . . . . . 5493 1
514 . 1 1 117 117 SER CB C 13 63.089 0.05 . 1 . . . . . . . . 5493 1
515 . 1 1 117 117 SER C C 13 173.860 0.05 . 1 . . . . . . . . 5493 1
516 . 1 1 118 118 ALA N N 15 125.797 0.04 . 1 . . . . . . . . 5493 1
517 . 1 1 118 118 ALA H H 1 8.137 0.02 . 1 . . . . . . . . 5493 1
518 . 1 1 118 118 ALA CA C 13 51.725 0.05 . 1 . . . . . . . . 5493 1
519 . 1 1 118 118 ALA CB C 13 18.655 0.05 . 1 . . . . . . . . 5493 1
520 . 1 1 118 118 ALA C C 13 176.011 0.05 . 1 . . . . . . . . 5493 1
521 . 1 1 119 119 PHE N N 15 122.921 0.04 . 1 . . . . . . . . 5493 1
522 . 1 1 119 119 PHE H H 1 7.573 0.02 . 1 . . . . . . . . 5493 1
523 . 1 1 119 119 PHE CA C 13 58.246 0.05 . 1 . . . . . . . . 5493 1
524 . 1 1 119 119 PHE CB C 13 39.422 0.05 . 1 . . . . . . . . 5493 1
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