###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one
_Assigned_chem_shift_list.Entry_ID 4040
_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_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one
_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 $sample_one . 4040 1
. . 2 $sample_two . 4040 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 ASN C C 13 177.0 0.20 . 1 . . . . . . . . 4040 1
2 . 1 1 4 4 ASN CA C 13 55.4 0.20 . 1 . . . . . . . . 4040 1
3 . 1 1 4 4 ASN CB C 13 29.4 0.20 . 1 . . . . . . . . 4040 1
4 . 1 1 5 5 ILE H H 1 8.93 0.20 . 1 . . . . . . . . 4040 1
5 . 1 1 5 5 ILE HA H 1 3.85 0.02 . 1 . . . . . . . . 4040 1
6 . 1 1 5 5 ILE C C 13 175.3 0.20 . 1 . . . . . . . . 4040 1
7 . 1 1 5 5 ILE CA C 13 61.5 0.20 . 1 . . . . . . . . 4040 1
8 . 1 1 5 5 ILE CB C 13 35.2 0.20 . 1 . . . . . . . . 4040 1
9 . 1 1 5 5 ILE N N 15 116.8 0.20 . 1 . . . . . . . . 4040 1
10 . 1 1 6 6 ASP H H 1 6.79 0.20 . 1 . . . . . . . . 4040 1
11 . 1 1 6 6 ASP HA H 1 4.66 0.02 . 1 . . . . . . . . 4040 1
12 . 1 1 6 6 ASP C C 13 178.2 0.20 . 1 . . . . . . . . 4040 1
13 . 1 1 6 6 ASP CA C 13 54.9 0.20 . 1 . . . . . . . . 4040 1
14 . 1 1 6 6 ASP CB C 13 38.2 0.20 . 1 . . . . . . . . 4040 1
15 . 1 1 6 6 ASP N N 15 122.2 0.20 . 1 . . . . . . . . 4040 1
16 . 1 1 7 7 THR H H 1 8.28 0.20 . 1 . . . . . . . . 4040 1
17 . 1 1 7 7 THR HA H 1 3.94 0.02 . 1 . . . . . . . . 4040 1
18 . 1 1 7 7 THR C C 13 176.3 0.20 . 1 . . . . . . . . 4040 1
19 . 1 1 7 7 THR CA C 13 64.7 0.20 . 1 . . . . . . . . 4040 1
20 . 1 1 7 7 THR N N 15 120.5 0.20 . 1 . . . . . . . . 4040 1
21 . 1 1 8 8 VAL H H 1 8.46 0.20 . 1 . . . . . . . . 4040 1
22 . 1 1 8 8 VAL HA H 1 3.43 0.02 . 1 . . . . . . . . 4040 1
23 . 1 1 8 8 VAL C C 13 177.1 0.20 . 1 . . . . . . . . 4040 1
24 . 1 1 8 8 VAL CA C 13 65.4 0.20 . 1 . . . . . . . . 4040 1
25 . 1 1 8 8 VAL CB C 13 28.2 0.20 . 1 . . . . . . . . 4040 1
26 . 1 1 8 8 VAL N N 15 120.3 0.20 . 1 . . . . . . . . 4040 1
27 . 1 1 9 9 ARG H H 1 8.60 0.20 . 1 . . . . . . . . 4040 1
28 . 1 1 9 9 ARG C C 13 178.2 0.20 . 1 . . . . . . . . 4040 1
29 . 1 1 9 9 ARG CA C 13 58.5 0.20 . 1 . . . . . . . . 4040 1
30 . 1 1 9 9 ARG CB C 13 28.3 0.20 . 1 . . . . . . . . 4040 1
31 . 1 1 9 9 ARG N N 15 120.5 0.20 . 1 . . . . . . . . 4040 1
32 . 1 1 10 10 GLU H H 1 7.80 0.20 . 1 . . . . . . . . 4040 1
33 . 1 1 10 10 GLU HA H 1 3.99 0.02 . 1 . . . . . . . . 4040 1
34 . 1 1 10 10 GLU C C 13 177.7 0.20 . 1 . . . . . . . . 4040 1
35 . 1 1 10 10 GLU CA C 13 57.3 0.20 . 1 . . . . . . . . 4040 1
36 . 1 1 10 10 GLU CB C 13 26.5 0.20 . 1 . . . . . . . . 4040 1
37 . 1 1 10 10 GLU N N 15 117.5 0.20 . 1 . . . . . . . . 4040 1
38 . 1 1 11 11 ILE H H 1 8.52 0.20 . 1 . . . . . . . . 4040 1
39 . 1 1 11 11 ILE HA H 1 3.48 0.02 . 1 . . . . . . . . 4040 1
40 . 1 1 11 11 ILE C C 13 177.4 0.20 . 1 . . . . . . . . 4040 1
41 . 1 1 11 11 ILE CA C 13 64.5 0.20 . 1 . . . . . . . . 4040 1
42 . 1 1 11 11 ILE CB C 13 35.6 0.20 . 1 . . . . . . . . 4040 1
43 . 1 1 11 11 ILE N N 15 120.4 0.20 . 1 . . . . . . . . 4040 1
44 . 1 1 12 12 ILE H H 1 8.77 0.20 . 1 . . . . . . . . 4040 1
45 . 1 1 12 12 ILE HA H 1 3.52 0.02 . 1 . . . . . . . . 4040 1
46 . 1 1 12 12 ILE C C 13 178.7 0.20 . 1 . . . . . . . . 4040 1
47 . 1 1 12 12 ILE CA C 13 63.0 0.20 . 1 . . . . . . . . 4040 1
48 . 1 1 12 12 ILE CB C 13 35.6 0.20 . 1 . . . . . . . . 4040 1
49 . 1 1 12 12 ILE N N 15 120.5 0.20 . 1 . . . . . . . . 4040 1
50 . 1 1 13 13 THR H H 1 8.33 0.20 . 1 . . . . . . . . 4040 1
51 . 1 1 13 13 THR HA H 1 4.07 0.02 . 1 . . . . . . . . 4040 1
52 . 1 1 13 13 THR C C 13 176.3 0.20 . 1 . . . . . . . . 4040 1
53 . 1 1 13 13 THR CA C 13 66.0 0.20 . 1 . . . . . . . . 4040 1
54 . 1 1 13 13 THR CB C 13 66.5 0.20 . 1 . . . . . . . . 4040 1
55 . 1 1 13 13 THR N N 15 120.6 0.20 . 1 . . . . . . . . 4040 1
56 . 1 1 14 14 VAL H H 1 8.77 0.20 . 1 . . . . . . . . 4040 1
57 . 1 1 14 14 VAL HA H 1 3.54 0.02 . 1 . . . . . . . . 4040 1
58 . 1 1 14 14 VAL C C 13 177.8 0.20 . 1 . . . . . . . . 4040 1
59 . 1 1 14 14 VAL CA C 13 65.3 0.20 . 1 . . . . . . . . 4040 1
60 . 1 1 14 14 VAL CB C 13 28.9 0.20 . 1 . . . . . . . . 4040 1
61 . 1 1 14 14 VAL N N 15 120.7 0.20 . 1 . . . . . . . . 4040 1
62 . 1 1 15 15 ALA H H 1 9.03 0.20 . 1 . . . . . . . . 4040 1
63 . 1 1 15 15 ALA HA H 1 3.84 0.02 . 1 . . . . . . . . 4040 1
64 . 1 1 15 15 ALA C C 13 178.6 0.20 . 1 . . . . . . . . 4040 1
65 . 1 1 15 15 ALA CA C 13 53.0 0.20 . 1 . . . . . . . . 4040 1
66 . 1 1 15 15 ALA CB C 13 15.9 0.20 . 1 . . . . . . . . 4040 1
67 . 1 1 15 15 ALA N N 15 121.3 0.20 . 1 . . . . . . . . 4040 1
68 . 1 1 16 16 SER H H 1 8.52 0.20 . 1 . . . . . . . . 4040 1
69 . 1 1 16 16 SER HA H 1 4.29 0.02 . 1 . . . . . . . . 4040 1
70 . 1 1 16 16 SER C C 13 177.2 0.20 . 1 . . . . . . . . 4040 1
71 . 1 1 16 16 SER CA C 13 59.7 0.20 . 1 . . . . . . . . 4040 1
72 . 1 1 16 16 SER N N 15 112.6 0.20 . 1 . . . . . . . . 4040 1
73 . 1 1 17 17 ILE H H 1 7.95 0.20 . 1 . . . . . . . . 4040 1
74 . 1 1 17 17 ILE HA H 1 3.38 0.02 . 1 . . . . . . . . 4040 1
75 . 1 1 17 17 ILE C C 13 176.7 0.20 . 1 . . . . . . . . 4040 1
76 . 1 1 17 17 ILE CA C 13 63.5 0.20 . 1 . . . . . . . . 4040 1
77 . 1 1 17 17 ILE CB C 13 35.7 0.20 . 1 . . . . . . . . 4040 1
78 . 1 1 17 17 ILE N N 15 122.5 0.20 . 1 . . . . . . . . 4040 1
79 . 1 1 18 18 LEU H H 1 7.93 0.20 . 1 . . . . . . . . 4040 1
80 . 1 1 18 18 LEU HA H 1 3.73 0.02 . 1 . . . . . . . . 4040 1
81 . 1 1 18 18 LEU C C 13 179.3 0.20 . 1 . . . . . . . . 4040 1
82 . 1 1 18 18 LEU CA C 13 56.0 0.20 . 1 . . . . . . . . 4040 1
83 . 1 1 18 18 LEU CB C 13 37.8 0.20 . 1 . . . . . . . . 4040 1
84 . 1 1 18 18 LEU N N 15 118.3 0.20 . 1 . . . . . . . . 4040 1
85 . 1 1 19 19 ILE H H 1 8.24 0.20 . 1 . . . . . . . . 4040 1
86 . 1 1 19 19 ILE HA H 1 3.48 0.02 . 1 . . . . . . . . 4040 1
87 . 1 1 19 19 ILE C C 13 180.0 0.20 . 1 . . . . . . . . 4040 1
88 . 1 1 19 19 ILE CA C 13 63.0 0.20 . 1 . . . . . . . . 4040 1
89 . 1 1 19 19 ILE CB C 13 34.5 0.20 . 1 . . . . . . . . 4040 1
90 . 1 1 19 19 ILE N N 15 119.1 0.20 . 1 . . . . . . . . 4040 1
91 . 1 1 20 20 LYS H H 1 8.06 0.20 . 1 . . . . . . . . 4040 1
92 . 1 1 20 20 LYS C C 13 178.4 0.20 . 1 . . . . . . . . 4040 1
93 . 1 1 20 20 LYS CA C 13 56.9 0.20 . 1 . . . . . . . . 4040 1
94 . 1 1 20 20 LYS CB C 13 29.5 0.20 . 1 . . . . . . . . 4040 1
95 . 1 1 20 20 LYS N N 15 123.9 0.20 . 1 . . . . . . . . 4040 1
96 . 1 1 21 21 PHE H H 1 7.86 0.20 . 1 . . . . . . . . 4040 1
97 . 1 1 21 21 PHE HA H 1 4.74 0.02 . 1 . . . . . . . . 4040 1
98 . 1 1 21 21 PHE C C 13 174.2 0.20 . 1 . . . . . . . . 4040 1
99 . 1 1 21 21 PHE CA C 13 53.4 0.20 . 1 . . . . . . . . 4040 1
100 . 1 1 21 21 PHE CB C 13 34.7 0.20 . 1 . . . . . . . . 4040 1
101 . 1 1 21 21 PHE N N 15 116.9 0.20 . 1 . . . . . . . . 4040 1
102 . 1 1 22 22 SER H H 1 8.03 0.20 . 1 . . . . . . . . 4040 1
103 . 1 1 22 22 SER HA H 1 4.36 0.02 . 1 . . . . . . . . 4040 1
104 . 1 1 22 22 SER C C 13 174.8 0.20 . 1 . . . . . . . . 4040 1
105 . 1 1 22 22 SER CA C 13 56.9 0.20 . 1 . . . . . . . . 4040 1
106 . 1 1 22 22 SER CB C 13 58.3 0.20 . 1 . . . . . . . . 4040 1
107 . 1 1 22 22 SER N N 15 111.4 0.20 . 1 . . . . . . . . 4040 1
108 . 1 1 23 23 ARG H H 1 8.60 0.20 . 1 . . . . . . . . 4040 1
109 . 1 1 23 23 ARG HA H 1 4.99 0.02 . 1 . . . . . . . . 4040 1
110 . 1 1 23 23 ARG C C 13 177.2 0.20 . 1 . . . . . . . . 4040 1
111 . 1 1 23 23 ARG CA C 13 48.5 0.20 . 1 . . . . . . . . 4040 1
112 . 1 1 23 23 ARG CB C 13 24.1 0.20 . 1 . . . . . . . . 4040 1
113 . 1 1 23 23 ARG N N 15 117.4 0.20 . 1 . . . . . . . . 4040 1
114 . 1 1 24 24 GLU H H 1 9.25 0.20 . 1 . . . . . . . . 4040 1
115 . 1 1 24 24 GLU HA H 1 3.51 0.02 . 1 . . . . . . . . 4040 1
116 . 1 1 24 24 GLU C C 13 175.9 0.20 . 1 . . . . . . . . 4040 1
117 . 1 1 24 24 GLU CA C 13 57.4 0.20 . 1 . . . . . . . . 4040 1
118 . 1 1 24 24 GLU CB C 13 25.9 0.20 . 1 . . . . . . . . 4040 1
119 . 1 1 24 24 GLU N N 15 121.7 0.20 . 1 . . . . . . . . 4040 1
120 . 1 1 25 25 ASP H H 1 8.66 0.20 . 1 . . . . . . . . 4040 1
121 . 1 1 25 25 ASP HA H 1 4.17 0.02 . 1 . . . . . . . . 4040 1
122 . 1 1 25 25 ASP C C 13 178.3 0.20 . 1 . . . . . . . . 4040 1
123 . 1 1 25 25 ASP CA C 13 53.5 0.20 . 1 . . . . . . . . 4040 1
124 . 1 1 25 25 ASP CB C 13 36.7 0.20 . 1 . . . . . . . . 4040 1
125 . 1 1 25 25 ASP N N 15 115.7 0.20 . 1 . . . . . . . . 4040 1
126 . 1 1 26 26 ILE H H 1 7.34 0.20 . 1 . . . . . . . . 4040 1
127 . 1 1 26 26 ILE HA H 1 3.59 0.02 . 1 . . . . . . . . 4040 1
128 . 1 1 26 26 ILE C C 13 174.8 0.20 . 1 . . . . . . . . 4040 1
129 . 1 1 26 26 ILE CA C 13 62.2 0.20 . 1 . . . . . . . . 4040 1
130 . 1 1 26 26 ILE CB C 13 35.9 0.20 . 1 . . . . . . . . 4040 1
131 . 1 1 26 26 ILE N N 15 119.9 0.20 . 1 . . . . . . . . 4040 1
132 . 1 1 27 27 VAL H H 1 6.20 0.20 . 1 . . . . . . . . 4040 1
133 . 1 1 27 27 VAL HA H 1 2.75 0.02 . 1 . . . . . . . . 4040 1
134 . 1 1 27 27 VAL C C 13 175.9 0.20 . 1 . . . . . . . . 4040 1
135 . 1 1 27 27 VAL CA C 13 61.3 0.20 . 1 . . . . . . . . 4040 1
136 . 1 1 27 27 VAL CB C 13 29.3 0.20 . 1 . . . . . . . . 4040 1
137 . 1 1 27 27 VAL N N 15 112.8 0.20 . 1 . . . . . . . . 4040 1
138 . 1 1 28 28 GLU H H 1 7.81 0.20 . 1 . . . . . . . . 4040 1
139 . 1 1 28 28 GLU HA H 1 3.73 0.02 . 1 . . . . . . . . 4040 1
140 . 1 1 28 28 GLU C C 13 175.4 0.20 . 1 . . . . . . . . 4040 1
141 . 1 1 28 28 GLU CA C 13 55.0 0.20 . 1 . . . . . . . . 4040 1
142 . 1 1 28 28 GLU CB C 13 27.2 0.20 . 1 . . . . . . . . 4040 1
143 . 1 1 28 28 GLU N N 15 114.1 0.20 . 1 . . . . . . . . 4040 1
144 . 1 1 29 29 ASN H H 1 6.86 0.20 . 1 . . . . . . . . 4040 1
145 . 1 1 29 29 ASN HA H 1 4.82 0.02 . 1 . . . . . . . . 4040 1
146 . 1 1 29 29 ASN C C 13 173.4 0.20 . 1 . . . . . . . . 4040 1
147 . 1 1 29 29 ASN CA C 13 49.3 0.20 . 1 . . . . . . . . 4040 1
148 . 1 1 29 29 ASN CB C 13 37.5 0.20 . 1 . . . . . . . . 4040 1
149 . 1 1 29 29 ASN N N 15 118.1 0.20 . 1 . . . . . . . . 4040 1
150 . 1 1 30 30 ARG H H 1 8.61 0.20 . 1 . . . . . . . . 4040 1
151 . 1 1 30 30 ARG HA H 1 4.75 0.02 . 1 . . . . . . . . 4040 1
152 . 1 1 30 30 ARG C C 13 177.3 0.20 . 1 . . . . . . . . 4040 1
153 . 1 1 30 30 ARG CA C 13 56.8 0.20 . 1 . . . . . . . . 4040 1
154 . 1 1 30 30 ARG CB C 13 26.7 0.20 . 1 . . . . . . . . 4040 1
155 . 1 1 30 30 ARG N N 15 126.3 0.20 . 1 . . . . . . . . 4040 1
156 . 1 1 31 31 ALA H H 1 8.16 0.20 . 1 . . . . . . . . 4040 1
157 . 1 1 31 31 ALA HA H 1 3.99 0.02 . 1 . . . . . . . . 4040 1
158 . 1 1 31 31 ALA C C 13 181.0 0.20 . 1 . . . . . . . . 4040 1
159 . 1 1 31 31 ALA CA C 13 52.7 0.20 . 1 . . . . . . . . 4040 1
160 . 1 1 31 31 ALA CB C 13 15.4 0.20 . 1 . . . . . . . . 4040 1
161 . 1 1 31 31 ALA N N 15 119.0 0.20 . 1 . . . . . . . . 4040 1
162 . 1 1 32 32 ASN H H 1 8.26 0.20 . 1 . . . . . . . . 4040 1
163 . 1 1 32 32 ASN HA H 1 4.53 0.02 . 1 . . . . . . . . 4040 1
164 . 1 1 32 32 ASN C C 13 178.3 0.20 . 1 . . . . . . . . 4040 1
165 . 1 1 32 32 ASN CA C 13 52.5 0.20 . 1 . . . . . . . . 4040 1
166 . 1 1 32 32 ASN CB C 13 34.5 0.20 . 1 . . . . . . . . 4040 1
167 . 1 1 32 32 ASN N N 15 119.4 0.20 . 1 . . . . . . . . 4040 1
168 . 1 1 33 33 PHE H H 1 9.28 0.20 . 1 . . . . . . . . 4040 1
169 . 1 1 33 33 PHE C C 13 177.8 0.20 . 1 . . . . . . . . 4040 1
170 . 1 1 33 33 PHE CA C 13 56.7 0.20 . 1 . . . . . . . . 4040 1
171 . 1 1 33 33 PHE CB C 13 35.8 0.20 . 1 . . . . . . . . 4040 1
172 . 1 1 33 33 PHE N N 15 125.1 0.20 . 1 . . . . . . . . 4040 1
173 . 1 1 34 34 ILE H H 1 8.27 0.20 . 1 . . . . . . . . 4040 1
174 . 1 1 34 34 ILE HA H 1 3.21 0.02 . 1 . . . . . . . . 4040 1
175 . 1 1 34 34 ILE C C 13 177.1 0.20 . 1 . . . . . . . . 4040 1
176 . 1 1 34 34 ILE CA C 13 62.8 0.20 . 1 . . . . . . . . 4040 1
177 . 1 1 34 34 ILE CB C 13 34.9 0.20 . 1 . . . . . . . . 4040 1
178 . 1 1 34 34 ILE N N 15 118.2 0.20 . 1 . . . . . . . . 4040 1
179 . 1 1 35 35 ALA H H 1 7.75 0.20 . 1 . . . . . . . . 4040 1
180 . 1 1 35 35 ALA HA H 1 4.15 0.02 . 1 . . . . . . . . 4040 1
181 . 1 1 35 35 ALA C C 13 180.3 0.20 . 1 . . . . . . . . 4040 1
182 . 1 1 35 35 ALA CA C 13 52.8 0.20 . 1 . . . . . . . . 4040 1
183 . 1 1 35 35 ALA CB C 13 15.3 0.20 . 1 . . . . . . . . 4040 1
184 . 1 1 35 35 ALA N N 15 120.3 0.20 . 1 . . . . . . . . 4040 1
185 . 1 1 36 36 PHE H H 1 8.27 0.20 . 1 . . . . . . . . 4040 1
186 . 1 1 36 36 PHE HA H 1 4.20 0.02 . 1 . . . . . . . . 4040 1
187 . 1 1 36 36 PHE C C 13 176.9 0.20 . 1 . . . . . . . . 4040 1
188 . 1 1 36 36 PHE CA C 13 59.5 0.20 . 1 . . . . . . . . 4040 1
189 . 1 1 36 36 PHE CB C 13 37.3 0.20 . 1 . . . . . . . . 4040 1
190 . 1 1 36 36 PHE N N 15 121.2 0.20 . 1 . . . . . . . . 4040 1
191 . 1 1 37 37 LEU H H 1 8.54 0.20 . 1 . . . . . . . . 4040 1
192 . 1 1 37 37 LEU HA H 1 3.69 0.02 . 1 . . . . . . . . 4040 1
193 . 1 1 37 37 LEU C C 13 178.5 0.20 . 1 . . . . . . . . 4040 1
194 . 1 1 37 37 LEU CA C 13 55.0 0.20 . 1 . . . . . . . . 4040 1
195 . 1 1 37 37 LEU CB C 13 38.6 0.20 . 1 . . . . . . . . 4040 1
196 . 1 1 37 37 LEU N N 15 118.3 0.20 . 1 . . . . . . . . 4040 1
197 . 1 1 38 38 ASN H H 1 8.30 0.20 . 1 . . . . . . . . 4040 1
198 . 1 1 38 38 ASN HA H 1 4.61 0.02 . 1 . . . . . . . . 4040 1
199 . 1 1 38 38 ASN C C 13 179.2 0.20 . 1 . . . . . . . . 4040 1
200 . 1 1 38 38 ASN CA C 13 52.4 0.20 . 1 . . . . . . . . 4040 1
201 . 1 1 38 38 ASN CB C 13 35.5 0.20 . 1 . . . . . . . . 4040 1
202 . 1 1 38 38 ASN N N 15 115.4 0.20 . 1 . . . . . . . . 4040 1
203 . 1 1 39 39 GLU H H 1 8.12 0.20 . 1 . . . . . . . . 4040 1
204 . 1 1 39 39 GLU HA H 1 4.03 0.02 . 1 . . . . . . . . 4040 1
205 . 1 1 39 39 GLU C C 13 178.4 0.20 . 1 . . . . . . . . 4040 1
206 . 1 1 39 39 GLU CA C 13 56.6 0.20 . 1 . . . . . . . . 4040 1
207 . 1 1 39 39 GLU CB C 13 27.1 0.20 . 1 . . . . . . . . 4040 1
208 . 1 1 39 39 GLU N N 15 123.0 0.20 . 1 . . . . . . . . 4040 1
209 . 1 1 40 40 ILE H H 1 7.47 0.20 . 1 . . . . . . . . 4040 1
210 . 1 1 40 40 ILE HA H 1 4.46 0.02 . 1 . . . . . . . . 4040 1
211 . 1 1 40 40 ILE C C 13 176.0 0.20 . 1 . . . . . . . . 4040 1
212 . 1 1 40 40 ILE CA C 13 58.1 0.20 . 1 . . . . . . . . 4040 1
213 . 1 1 40 40 ILE CB C 13 34.7 0.20 . 1 . . . . . . . . 4040 1
214 . 1 1 40 40 ILE N N 15 109.3 0.20 . 1 . . . . . . . . 4040 1
215 . 1 1 41 41 GLY H H 1 7.36 0.20 . 1 . . . . . . . . 4040 1
216 . 1 1 41 41 GLY HA2 H 1 3.67 0.02 . 2 . . . . . . . . 4040 1
217 . 1 1 41 41 GLY HA3 H 1 4.10 0.02 . 2 . . . . . . . . 4040 1
218 . 1 1 41 41 GLY C C 13 178.3 0.20 . 1 . . . . . . . . 4040 1
219 . 1 1 41 41 GLY CA C 13 43.9 0.20 . 1 . . . . . . . . 4040 1
220 . 1 1 41 41 GLY N N 15 106.7 0.20 . 1 . . . . . . . . 4040 1
221 . 1 1 42 42 VAL H H 1 8.02 0.20 . 1 . . . . . . . . 4040 1
222 . 1 1 42 42 VAL HA H 1 3.86 0.02 . 1 . . . . . . . . 4040 1
223 . 1 1 42 42 VAL C C 13 174.4 0.20 . 1 . . . . . . . . 4040 1
224 . 1 1 42 42 VAL CA C 13 61.2 0.20 . 1 . . . . . . . . 4040 1
225 . 1 1 42 42 VAL CB C 13 27.8 0.20 . 1 . . . . . . . . 4040 1
226 . 1 1 42 42 VAL N N 15 123.1 0.20 . 1 . . . . . . . . 4040 1
227 . 1 1 43 43 THR H H 1 7.76 0.20 . 1 . . . . . . . . 4040 1
228 . 1 1 43 43 THR HA H 1 4.48 0.02 . 1 . . . . . . . . 4040 1
229 . 1 1 43 43 THR C C 13 173.0 0.20 . 1 . . . . . . . . 4040 1
230 . 1 1 43 43 THR CA C 13 56.6 0.20 . 1 . . . . . . . . 4040 1
231 . 1 1 43 43 THR CB C 13 70.8 0.20 . 1 . . . . . . . . 4040 1
232 . 1 1 43 43 THR N N 15 115.9 0.20 . 1 . . . . . . . . 4040 1
233 . 1 1 44 44 HIS H H 1 8.72 0.20 . 1 . . . . . . . . 4040 1
234 . 1 1 44 44 HIS HA H 1 5.16 0.02 . 1 . . . . . . . . 4040 1
235 . 1 1 44 44 HIS C C 13 176.4 0.20 . 1 . . . . . . . . 4040 1
236 . 1 1 44 44 HIS CA C 13 54.1 0.20 . 1 . . . . . . . . 4040 1
237 . 1 1 44 44 HIS CB C 13 31.4 0.20 . 1 . . . . . . . . 4040 1
238 . 1 1 44 44 HIS N N 15 114.8 0.20 . 1 . . . . . . . . 4040 1
239 . 1 1 45 45 GLU H H 1 8.67 0.20 . 1 . . . . . . . . 4040 1
240 . 1 1 45 45 GLU HA H 1 3.63 0.02 . 1 . . . . . . . . 4040 1
241 . 1 1 45 45 GLU C C 13 176.1 0.20 . 1 . . . . . . . . 4040 1
242 . 1 1 45 45 GLU CA C 13 54.7 0.20 . 1 . . . . . . . . 4040 1
243 . 1 1 45 45 GLU CB C 13 24.8 0.20 . 1 . . . . . . . . 4040 1
244 . 1 1 45 45 GLU N N 15 126.8 0.20 . 1 . . . . . . . . 4040 1
245 . 1 1 46 46 GLY H H 1 8.42 0.20 . 1 . . . . . . . . 4040 1
246 . 1 1 46 46 GLY HA2 H 1 3.45 0.02 . 2 . . . . . . . . 4040 1
247 . 1 1 46 46 GLY HA3 H 1 4.04 0.02 . 2 . . . . . . . . 4040 1
248 . 1 1 46 46 GLY C C 13 174.0 0.20 . 1 . . . . . . . . 4040 1
249 . 1 1 46 46 GLY CA C 13 42.6 0.20 . 1 . . . . . . . . 4040 1
250 . 1 1 46 46 GLY N N 15 102.7 0.20 . 1 . . . . . . . . 4040 1
251 . 1 1 47 47 ARG H H 1 7.72 0.20 . 1 . . . . . . . . 4040 1
252 . 1 1 47 47 ARG HA H 1 4.64 0.02 . 1 . . . . . . . . 4040 1
253 . 1 1 47 47 ARG C C 13 175.6 0.20 . 1 . . . . . . . . 4040 1
254 . 1 1 47 47 ARG CA C 13 51.8 0.20 . 1 . . . . . . . . 4040 1
255 . 1 1 47 47 ARG CB C 13 30.0 0.20 . 1 . . . . . . . . 4040 1
256 . 1 1 47 47 ARG N N 15 119.8 0.20 . 1 . . . . . . . . 4040 1
257 . 1 1 48 48 LYS H H 1 8.40 0.20 . 1 . . . . . . . . 4040 1
258 . 1 1 48 48 LYS HA H 1 4.21 0.02 . 1 . . . . . . . . 4040 1
259 . 1 1 48 48 LYS C C 13 178.0 0.20 . 1 . . . . . . . . 4040 1
260 . 1 1 48 48 LYS CA C 13 54.3 0.20 . 1 . . . . . . . . 4040 1
261 . 1 1 48 48 LYS CB C 13 30.4 0.20 . 1 . . . . . . . . 4040 1
262 . 1 1 48 48 LYS N N 15 120.0 0.20 . 1 . . . . . . . . 4040 1
263 . 1 1 49 49 LEU H H 1 9.19 0.20 . 1 . . . . . . . . 4040 1
264 . 1 1 49 49 LEU HA H 1 4.17 0.02 . 1 . . . . . . . . 4040 1
265 . 1 1 49 49 LEU C C 13 176.4 0.20 . 1 . . . . . . . . 4040 1
266 . 1 1 49 49 LEU CA C 13 52.6 0.20 . 1 . . . . . . . . 4040 1
267 . 1 1 49 49 LEU CB C 13 41.5 0.20 . 1 . . . . . . . . 4040 1
268 . 1 1 49 49 LEU N N 15 123.8 0.20 . 1 . . . . . . . . 4040 1
269 . 1 1 50 50 ASN H H 1 8.03 0.20 . 1 . . . . . . . . 4040 1
270 . 1 1 50 50 ASN HA H 1 4.78 0.02 . 1 . . . . . . . . 4040 1
271 . 1 1 50 50 ASN C C 13 174.5 0.20 . 1 . . . . . . . . 4040 1
272 . 1 1 50 50 ASN CA C 13 49.3 0.20 . 1 . . . . . . . . 4040 1
273 . 1 1 50 50 ASN CB C 13 38.3 0.20 . 1 . . . . . . . . 4040 1
274 . 1 1 50 50 ASN N N 15 115.8 0.20 . 1 . . . . . . . . 4040 1
275 . 1 1 51 51 GLN H H 1 9.03 0.20 . 1 . . . . . . . . 4040 1
276 . 1 1 51 51 GLN C C 13 177.8 0.20 . 1 . . . . . . . . 4040 1
277 . 1 1 51 51 GLN CA C 13 57.9 0.20 . 1 . . . . . . . . 4040 1
278 . 1 1 51 51 GLN CB C 13 25.7 0.20 . 1 . . . . . . . . 4040 1
279 . 1 1 51 51 GLN N N 15 117.7 0.20 . 1 . . . . . . . . 4040 1
280 . 1 1 52 52 ASN H H 1 8.52 0.20 . 1 . . . . . . . . 4040 1
281 . 1 1 52 52 ASN HA H 1 4.66 0.02 . 1 . . . . . . . . 4040 1
282 . 1 1 52 52 ASN C C 13 177.8 0.20 . 1 . . . . . . . . 4040 1
283 . 1 1 52 52 ASN CA C 13 53.4 0.20 . 1 . . . . . . . . 4040 1
284 . 1 1 52 52 ASN CB C 13 35.9 0.20 . 1 . . . . . . . . 4040 1
285 . 1 1 52 52 ASN N N 15 117.5 0.20 . 1 . . . . . . . . 4040 1
286 . 1 1 53 53 SER H H 1 8.87 0.20 . 1 . . . . . . . . 4040 1
287 . 1 1 53 53 SER HA H 1 4.16 0.02 . 1 . . . . . . . . 4040 1
288 . 1 1 53 53 SER C C 13 176.4 0.20 . 1 . . . . . . . . 4040 1
289 . 1 1 53 53 SER CA C 13 58.4 0.20 . 1 . . . . . . . . 4040 1
290 . 1 1 53 53 SER CB C 13 60.0 0.20 . 1 . . . . . . . . 4040 1
291 . 1 1 53 53 SER N N 15 118.9 0.20 . 1 . . . . . . . . 4040 1
292 . 1 1 54 54 PHE H H 1 8.60 0.20 . 1 . . . . . . . . 4040 1
293 . 1 1 54 54 PHE HA H 1 3.95 0.02 . 1 . . . . . . . . 4040 1
294 . 1 1 54 54 PHE C C 13 176.1 0.20 . 1 . . . . . . . . 4040 1
295 . 1 1 54 54 PHE CA C 13 58.8 0.20 . 1 . . . . . . . . 4040 1
296 . 1 1 54 54 PHE CB C 13 37.4 0.20 . 1 . . . . . . . . 4040 1
297 . 1 1 54 54 PHE N N 15 122.2 0.20 . 1 . . . . . . . . 4040 1
298 . 1 1 55 55 ARG H H 1 7.56 0.20 . 1 . . . . . . . . 4040 1
299 . 1 1 55 55 ARG HA H 1 3.85 0.02 . 1 . . . . . . . . 4040 1
300 . 1 1 55 55 ARG C C 13 178.8 0.20 . 1 . . . . . . . . 4040 1
301 . 1 1 55 55 ARG CA C 13 56.8 0.20 . 1 . . . . . . . . 4040 1
302 . 1 1 55 55 ARG CB C 13 27.6 0.20 . 1 . . . . . . . . 4040 1
303 . 1 1 55 55 ARG N N 15 115.9 0.20 . 1 . . . . . . . . 4040 1
304 . 1 1 56 56 LYS H H 1 7.81 0.20 . 1 . . . . . . . . 4040 1
305 . 1 1 56 56 LYS HA H 1 3.93 0.02 . 1 . . . . . . . . 4040 1
306 . 1 1 56 56 LYS C C 13 177.8 0.20 . 1 . . . . . . . . 4040 1
307 . 1 1 56 56 LYS CA C 13 57.2 0.20 . 1 . . . . . . . . 4040 1
308 . 1 1 56 56 LYS CB C 13 30.4 0.20 . 1 . . . . . . . . 4040 1
309 . 1 1 56 56 LYS N N 15 120.8 0.20 . 1 . . . . . . . . 4040 1
310 . 1 1 57 57 ILE H H 1 7.92 0.20 . 1 . . . . . . . . 4040 1
311 . 1 1 57 57 ILE HA H 1 3.65 0.02 . 1 . . . . . . . . 4040 1
312 . 1 1 57 57 ILE C C 13 177.7 0.20 . 1 . . . . . . . . 4040 1
313 . 1 1 57 57 ILE CA C 13 62.2 0.20 . 1 . . . . . . . . 4040 1
314 . 1 1 57 57 ILE CB C 13 35.3 0.20 . 1 . . . . . . . . 4040 1
315 . 1 1 57 57 ILE N N 15 116.6 0.20 . 1 . . . . . . . . 4040 1
316 . 1 1 58 58 VAL H H 1 7.23 0.20 . 1 . . . . . . . . 4040 1
317 . 1 1 58 58 VAL HA H 1 3.56 0.02 . 1 . . . . . . . . 4040 1
318 . 1 1 58 58 VAL C C 13 178.9 0.20 . 1 . . . . . . . . 4040 1
319 . 1 1 58 58 VAL CA C 13 63.0 0.20 . 1 . . . . . . . . 4040 1
320 . 1 1 58 58 VAL CB C 13 29.5 0.20 . 1 . . . . . . . . 4040 1
321 . 1 1 58 58 VAL N N 15 114.5 0.20 . 1 . . . . . . . . 4040 1
322 . 1 1 59 59 SER H H 1 8.20 0.20 . 1 . . . . . . . . 4040 1
323 . 1 1 59 59 SER HA H 1 4.30 0.02 . 1 . . . . . . . . 4040 1
324 . 1 1 59 59 SER C C 13 175.5 0.20 . 1 . . . . . . . . 4040 1
325 . 1 1 59 59 SER CA C 13 58.6 0.20 . 1 . . . . . . . . 4040 1
326 . 1 1 59 59 SER CB C 13 60.8 0.20 . 1 . . . . . . . . 4040 1
327 . 1 1 59 59 SER N N 15 115.1 0.20 . 1 . . . . . . . . 4040 1
328 . 1 1 60 60 GLU H H 1 7.55 0.20 . 1 . . . . . . . . 4040 1
329 . 1 1 60 60 GLU HA H 1 4.25 0.02 . 1 . . . . . . . . 4040 1
330 . 1 1 60 60 GLU C C 13 177.1 0.20 . 1 . . . . . . . . 4040 1
331 . 1 1 60 60 GLU CA C 13 53.9 0.20 . 1 . . . . . . . . 4040 1
332 . 1 1 60 60 GLU CB C 13 27.1 0.20 . 1 . . . . . . . . 4040 1
333 . 1 1 60 60 GLU N N 15 118.9 0.20 . 1 . . . . . . . . 4040 1
334 . 1 1 61 61 LEU H H 1 7.13 0.20 . 1 . . . . . . . . 4040 1
335 . 1 1 61 61 LEU HA H 1 4.58 0.02 . 1 . . . . . . . . 4040 1
336 . 1 1 61 61 LEU C C 13 177.8 0.20 . 1 . . . . . . . . 4040 1
337 . 1 1 61 61 LEU CA C 13 52.8 0.20 . 1 . . . . . . . . 4040 1
338 . 1 1 61 61 LEU CB C 13 40.3 0.20 . 1 . . . . . . . . 4040 1
339 . 1 1 61 61 LEU N N 15 120.9 0.20 . 1 . . . . . . . . 4040 1
340 . 1 1 62 62 THR H H 1 9.28 0.20 . 1 . . . . . . . . 4040 1
341 . 1 1 62 62 THR HA H 1 4.49 0.02 . 1 . . . . . . . . 4040 1
342 . 1 1 62 62 THR C C 13 175.7 0.20 . 1 . . . . . . . . 4040 1
343 . 1 1 62 62 THR CA C 13 58.0 0.20 . 1 . . . . . . . . 4040 1
344 . 1 1 62 62 THR CB C 13 69.3 0.20 . 1 . . . . . . . . 4040 1
345 . 1 1 62 62 THR N N 15 116.6 0.20 . 1 . . . . . . . . 4040 1
346 . 1 1 63 63 GLN H H 1 9.06 0.20 . 1 . . . . . . . . 4040 1
347 . 1 1 63 63 GLN HA H 1 4.76 0.02 . 1 . . . . . . . . 4040 1
348 . 1 1 63 63 GLN C C 13 178.8 0.20 . 1 . . . . . . . . 4040 1
349 . 1 1 63 63 GLN CA C 13 56.8 0.20 . 1 . . . . . . . . 4040 1
350 . 1 1 63 63 GLN CB C 13 25.6 0.20 . 1 . . . . . . . . 4040 1
351 . 1 1 63 63 GLN N N 15 120.0 0.20 . 1 . . . . . . . . 4040 1
352 . 1 1 64 64 GLU H H 1 8.49 0.20 . 1 . . . . . . . . 4040 1
353 . 1 1 64 64 GLU HA H 1 3.97 0.02 . 1 . . . . . . . . 4040 1
354 . 1 1 64 64 GLU C C 13 178.9 0.20 . 1 . . . . . . . . 4040 1
355 . 1 1 64 64 GLU CA C 13 57.4 0.20 . 1 . . . . . . . . 4040 1
356 . 1 1 64 64 GLU CB C 13 26.5 0.20 . 1 . . . . . . . . 4040 1
357 . 1 1 64 64 GLU N N 15 119.7 0.20 . 1 . . . . . . . . 4040 1
358 . 1 1 65 65 ASP H H 1 7.95 0.20 . 1 . . . . . . . . 4040 1
359 . 1 1 65 65 ASP HA H 1 4.27 0.02 . 1 . . . . . . . . 4040 1
360 . 1 1 65 65 ASP C C 13 178.2 0.20 . 1 . . . . . . . . 4040 1
361 . 1 1 65 65 ASP CA C 13 55.0 0.20 . 1 . . . . . . . . 4040 1
362 . 1 1 65 65 ASP CB C 13 39.0 0.20 . 1 . . . . . . . . 4040 1
363 . 1 1 65 65 ASP N N 15 121.9 0.20 . 1 . . . . . . . . 4040 1
364 . 1 1 66 66 LYS H H 1 8.16 0.20 . 1 . . . . . . . . 4040 1
365 . 1 1 66 66 LYS HA H 1 3.62 0.02 . 1 . . . . . . . . 4040 1
366 . 1 1 66 66 LYS C C 13 177.5 0.20 . 1 . . . . . . . . 4040 1
367 . 1 1 66 66 LYS CA C 13 58.2 0.20 . 1 . . . . . . . . 4040 1
368 . 1 1 66 66 LYS CB C 13 29.5 0.20 . 1 . . . . . . . . 4040 1
369 . 1 1 66 66 LYS N N 15 118.4 0.20 . 1 . . . . . . . . 4040 1
370 . 1 1 67 67 LYS H H 1 7.81 0.20 . 1 . . . . . . . . 4040 1
371 . 1 1 67 67 LYS HA H 1 3.84 0.02 . 1 . . . . . . . . 4040 1
372 . 1 1 67 67 LYS C C 13 178.4 0.20 . 1 . . . . . . . . 4040 1
373 . 1 1 67 67 LYS CA C 13 56.9 0.20 . 1 . . . . . . . . 4040 1
374 . 1 1 67 67 LYS CB C 13 29.5 0.20 . 1 . . . . . . . . 4040 1
375 . 1 1 67 67 LYS N N 15 118.9 0.20 . 1 . . . . . . . . 4040 1
376 . 1 1 68 68 THR H H 1 7.95 0.20 . 1 . . . . . . . . 4040 1
377 . 1 1 68 68 THR HA H 1 3.89 0.02 . 1 . . . . . . . . 4040 1
378 . 1 1 68 68 THR C C 13 176.1 0.20 . 1 . . . . . . . . 4040 1
379 . 1 1 68 68 THR CA C 13 64.0 0.20 . 1 . . . . . . . . 4040 1
380 . 1 1 68 68 THR CB C 13 66.1 0.20 . 1 . . . . . . . . 4040 1
381 . 1 1 68 68 THR N N 15 116.9 0.20 . 1 . . . . . . . . 4040 1
382 . 1 1 69 69 LEU H H 1 7.96 0.20 . 1 . . . . . . . . 4040 1
383 . 1 1 69 69 LEU HA H 1 4.08 0.02 . 1 . . . . . . . . 4040 1
384 . 1 1 69 69 LEU C C 13 178.9 0.20 . 1 . . . . . . . . 4040 1
385 . 1 1 69 69 LEU CA C 13 55.4 0.20 . 1 . . . . . . . . 4040 1
386 . 1 1 69 69 LEU CB C 13 39.6 0.20 . 1 . . . . . . . . 4040 1
387 . 1 1 69 69 LEU N N 15 120.4 0.20 . 1 . . . . . . . . 4040 1
388 . 1 1 70 70 ILE H H 1 8.19 0.20 . 1 . . . . . . . . 4040 1
389 . 1 1 70 70 ILE HA H 1 3.56 0.02 . 1 . . . . . . . . 4040 1
390 . 1 1 70 70 ILE C C 13 178.6 0.20 . 1 . . . . . . . . 4040 1
391 . 1 1 70 70 ILE CA C 13 62.5 0.20 . 1 . . . . . . . . 4040 1
392 . 1 1 70 70 ILE CB C 13 35.3 0.20 . 1 . . . . . . . . 4040 1
393 . 1 1 70 70 ILE N N 15 121.2 0.20 . 1 . . . . . . . . 4040 1
394 . 1 1 71 71 ASP H H 1 7.87 0.20 . 1 . . . . . . . . 4040 1
395 . 1 1 71 71 ASP HA H 1 4.37 0.02 . 1 . . . . . . . . 4040 1
396 . 1 1 71 71 ASP C C 13 178.1 0.20 . 1 . . . . . . . . 4040 1
397 . 1 1 71 71 ASP CA C 13 54.3 0.20 . 1 . . . . . . . . 4040 1
398 . 1 1 71 71 ASP CB C 13 37.8 0.20 . 1 . . . . . . . . 4040 1
399 . 1 1 71 71 ASP N N 15 120.1 0.20 . 1 . . . . . . . . 4040 1
400 . 1 1 72 72 GLU H H 1 7.74 0.20 . 1 . . . . . . . . 4040 1
401 . 1 1 72 72 GLU HA H 1 3.90 0.02 . 1 . . . . . . . . 4040 1
402 . 1 1 72 72 GLU C C 13 177.6 0.20 . 1 . . . . . . . . 4040 1
403 . 1 1 72 72 GLU CA C 13 55.8 0.20 . 1 . . . . . . . . 4040 1
404 . 1 1 72 72 GLU CB C 13 28.4 0.20 . 1 . . . . . . . . 4040 1
405 . 1 1 72 72 GLU N N 15 118.3 0.20 . 1 . . . . . . . . 4040 1
406 . 1 1 73 73 PHE H H 1 8.39 0.20 . 1 . . . . . . . . 4040 1
407 . 1 1 73 73 PHE HA H 1 4.50 0.02 . 1 . . . . . . . . 4040 1
408 . 1 1 73 73 PHE C C 13 175.9 0.20 . 1 . . . . . . . . 4040 1
409 . 1 1 73 73 PHE CA C 13 55.8 0.20 . 1 . . . . . . . . 4040 1
410 . 1 1 73 73 PHE N N 15 116.4 0.20 . 1 . . . . . . . . 4040 1
411 . 1 1 74 74 ASN H H 1 8.59 0.20 . 1 . . . . . . . . 4040 1
412 . 1 1 74 74 ASN HA H 1 4.60 0.02 . 1 . . . . . . . . 4040 1
413 . 1 1 74 74 ASN C C 13 176.1 0.20 . 1 . . . . . . . . 4040 1
414 . 1 1 74 74 ASN CA C 13 52.6 0.20 . 1 . . . . . . . . 4040 1
415 . 1 1 74 74 ASN CB C 13 36.3 0.20 . 1 . . . . . . . . 4040 1
416 . 1 1 74 74 ASN N N 15 120.2 0.20 . 1 . . . . . . . . 4040 1
417 . 1 1 75 75 GLU H H 1 9.15 0.20 . 1 . . . . . . . . 4040 1
418 . 1 1 75 75 GLU HA H 1 4.31 0.02 . 1 . . . . . . . . 4040 1
419 . 1 1 75 75 GLU C C 13 177.6 0.20 . 1 . . . . . . . . 4040 1
420 . 1 1 75 75 GLU CA C 13 56.3 0.20 . 1 . . . . . . . . 4040 1
421 . 1 1 75 75 GLU CB C 13 26.7 0.20 . 1 . . . . . . . . 4040 1
422 . 1 1 75 75 GLU N N 15 123.2 0.20 . 1 . . . . . . . . 4040 1
423 . 1 1 76 76 GLY H H 1 8.64 0.20 . 1 . . . . . . . . 4040 1
424 . 1 1 76 76 GLY HA2 H 1 3.99 0.02 . 2 . . . . . . . . 4040 1
425 . 1 1 76 76 GLY HA3 H 1 4.03 0.02 . 2 . . . . . . . . 4040 1
426 . 1 1 76 76 GLY C C 13 175.1 0.20 . 1 . . . . . . . . 4040 1
427 . 1 1 76 76 GLY CA C 13 43.3 0.20 . 1 . . . . . . . . 4040 1
428 . 1 1 76 76 GLY N N 15 109.4 0.20 . 1 . . . . . . . . 4040 1
429 . 1 1 77 77 PHE H H 1 8.04 0.20 . 1 . . . . . . . . 4040 1
430 . 1 1 77 77 PHE C C 13 175.8 0.20 . 1 . . . . . . . . 4040 1
431 . 1 1 77 77 PHE CA C 13 57.8 0.20 . 1 . . . . . . . . 4040 1
432 . 1 1 77 77 PHE N N 15 119.7 0.20 . 1 . . . . . . . . 4040 1
433 . 1 1 78 78 GLU H H 1 8.87 0.20 . 1 . . . . . . . . 4040 1
434 . 1 1 78 78 GLU HA H 1 3.84 0.02 . 1 . . . . . . . . 4040 1
435 . 1 1 78 78 GLU C C 13 178.8 0.20 . 1 . . . . . . . . 4040 1
436 . 1 1 78 78 GLU CA C 13 57.4 0.20 . 1 . . . . . . . . 4040 1
437 . 1 1 78 78 GLU CB C 13 26.5 0.20 . 1 . . . . . . . . 4040 1
438 . 1 1 78 78 GLU N N 15 120.4 0.20 . 1 . . . . . . . . 4040 1
439 . 1 1 79 79 GLY H H 1 8.30 0.20 . 1 . . . . . . . . 4040 1
440 . 1 1 79 79 GLY HA2 H 1 3.75 0.02 . 2 . . . . . . . . 4040 1
441 . 1 1 79 79 GLY HA3 H 1 3.77 0.02 . 2 . . . . . . . . 4040 1
442 . 1 1 79 79 GLY C C 13 175.1 0.20 . 1 . . . . . . . . 4040 1
443 . 1 1 79 79 GLY CA C 13 43.7 0.20 . 1 . . . . . . . . 4040 1
444 . 1 1 79 79 GLY N N 15 105.4 0.20 . 1 . . . . . . . . 4040 1
445 . 1 1 80 80 VAL H H 1 7.32 0.20 . 1 . . . . . . . . 4040 1
446 . 1 1 80 80 VAL HA H 1 3.82 0.02 . 1 . . . . . . . . 4040 1
447 . 1 1 80 80 VAL CA C 13 62.4 0.20 . 1 . . . . . . . . 4040 1
448 . 1 1 80 80 VAL CB C 13 29.5 0.20 . 1 . . . . . . . . 4040 1
449 . 1 1 80 80 VAL N N 15 117.8 0.20 . 1 . . . . . . . . 4040 1
450 . 1 1 81 81 TYR HA H 1 3.78 0.02 . 1 . . . . . . . . 4040 1
451 . 1 1 81 81 TYR C C 13 177.2 0.20 . 1 . . . . . . . . 4040 1
452 . 1 1 81 81 TYR CA C 13 59.2 0.20 . 1 . . . . . . . . 4040 1
453 . 1 1 81 81 TYR CB C 13 35.1 0.20 . 1 . . . . . . . . 4040 1
454 . 1 1 82 82 ARG H H 1 7.61 0.20 . 1 . . . . . . . . 4040 1
455 . 1 1 82 82 ARG HA H 1 3.98 0.02 . 1 . . . . . . . . 4040 1
456 . 1 1 82 82 ARG C C 13 178.8 0.20 . 1 . . . . . . . . 4040 1
457 . 1 1 82 82 ARG CA C 13 56.2 0.20 . 1 . . . . . . . . 4040 1
458 . 1 1 82 82 ARG CB C 13 27.0 0.20 . 1 . . . . . . . . 4040 1
459 . 1 1 82 82 ARG N N 15 116.4 0.20 . 1 . . . . . . . . 4040 1
460 . 1 1 83 83 TYR H H 1 7.39 0.20 . 1 . . . . . . . . 4040 1
461 . 1 1 83 83 TYR HA H 1 4.26 0.02 . 1 . . . . . . . . 4040 1
462 . 1 1 83 83 TYR C C 13 177.1 0.20 . 1 . . . . . . . . 4040 1
463 . 1 1 83 83 TYR CA C 13 58.0 0.20 . 1 . . . . . . . . 4040 1
464 . 1 1 83 83 TYR CB C 13 35.3 0.20 . 1 . . . . . . . . 4040 1
465 . 1 1 83 83 TYR N N 15 117.5 0.20 . 1 . . . . . . . . 4040 1
466 . 1 1 84 84 LEU H H 1 7.61 0.20 . 1 . . . . . . . . 4040 1
467 . 1 1 84 84 LEU HA H 1 4.04 0.02 . 1 . . . . . . . . 4040 1
468 . 1 1 84 84 LEU C C 13 177.2 0.20 . 1 . . . . . . . . 4040 1
469 . 1 1 84 84 LEU CA C 13 54.2 0.20 . 1 . . . . . . . . 4040 1
470 . 1 1 84 84 LEU CB C 13 38.5 0.20 . 1 . . . . . . . . 4040 1
471 . 1 1 84 84 LEU N N 15 117.5 0.20 . 1 . . . . . . . . 4040 1
472 . 1 1 85 85 GLU H H 1 7.70 0.20 . 1 . . . . . . . . 4040 1
473 . 1 1 85 85 GLU HA H 1 3.85 0.02 . 1 . . . . . . . . 4040 1
474 . 1 1 85 85 GLU C C 13 177.2 0.20 . 1 . . . . . . . . 4040 1
475 . 1 1 85 85 GLU CA C 13 55.1 0.20 . 1 . . . . . . . . 4040 1
476 . 1 1 85 85 GLU CB C 13 26.5 0.20 . 1 . . . . . . . . 4040 1
477 . 1 1 85 85 GLU N N 15 115.8 0.20 . 1 . . . . . . . . 4040 1
478 . 1 1 86 86 MET H H 1 7.60 0.20 . 1 . . . . . . . . 4040 1
479 . 1 1 86 86 MET HA H 1 4.17 0.02 . 1 . . . . . . . . 4040 1
480 . 1 1 86 86 MET C C 13 176.6 0.20 . 1 . . . . . . . . 4040 1
481 . 1 1 86 86 MET CA C 13 54.5 0.20 . 1 . . . . . . . . 4040 1
482 . 1 1 86 86 MET CB C 13 30.7 0.20 . 1 . . . . . . . . 4040 1
483 . 1 1 86 86 MET N N 15 118.3 0.20 . 1 . . . . . . . . 4040 1
484 . 1 1 87 87 TYR H H 1 7.99 0.20 . 1 . . . . . . . . 4040 1
485 . 1 1 87 87 TYR HA H 1 4.63 0.02 . 1 . . . . . . . . 4040 1
486 . 1 1 87 87 TYR C C 13 176.2 0.20 . 1 . . . . . . . . 4040 1
487 . 1 1 87 87 TYR CA C 13 55.0 0.20 . 1 . . . . . . . . 4040 1
488 . 1 1 87 87 TYR CB C 13 35.7 0.20 . 1 . . . . . . . . 4040 1
489 . 1 1 87 87 TYR N N 15 118.2 0.20 . 1 . . . . . . . . 4040 1
490 . 1 1 88 88 THR H H 1 7.87 0.20 . 1 . . . . . . . . 4040 1
491 . 1 1 88 88 THR HA H 1 4.29 0.02 . 1 . . . . . . . . 4040 1
492 . 1 1 88 88 THR C C 13 174.2 0.20 . 1 . . . . . . . . 4040 1
493 . 1 1 88 88 THR CA C 13 59.5 0.20 . 1 . . . . . . . . 4040 1
494 . 1 1 88 88 THR CB C 13 67.2 0.20 . 1 . . . . . . . . 4040 1
495 . 1 1 88 88 THR N N 15 112.4 0.20 . 1 . . . . . . . . 4040 1
496 . 1 1 89 89 ASN H H 1 8.15 0.20 . 1 . . . . . . . . 4040 1
497 . 1 1 89 89 ASN HA H 1 4.71 0.02 . 1 . . . . . . . . 4040 1
498 . 1 1 89 89 ASN C C 13 174.1 0.20 . 1 . . . . . . . . 4040 1
499 . 1 1 89 89 ASN CA C 13 50.9 0.20 . 1 . . . . . . . . 4040 1
500 . 1 1 89 89 ASN CB C 13 36.6 0.20 . 1 . . . . . . . . 4040 1
501 . 1 1 89 89 ASN N N 15 120.8 0.20 . 1 . . . . . . . . 4040 1
502 . 1 1 90 90 LYS H H 1 7.92 0.20 . 1 . . . . . . . . 4040 1
503 . 1 1 90 90 LYS HA H 1 4.12 0.02 . 1 . . . . . . . . 4040 1
504 . 1 1 90 90 LYS CA C 13 55.3 0.20 . 1 . . . . . . . . 4040 1
505 . 1 1 90 90 LYS CB C 13 31.2 0.20 . 1 . . . . . . . . 4040 1
506 . 1 1 90 90 LYS N N 15 126.3 0.20 . 1 . . . . . . . . 4040 1
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