###################################
# 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 17758
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
2 '3D HNCO' . . . 17758 1
3 '3D CBCA(CO)NH' . . . 17758 1
4 '3D HNCACB' . . . 17758 1
5 '3D HN(CA)CO' . . . 17758 1
6 '3D HNN' . . . 17758 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 3 3 VAL H H 1 8.365 0.05 . 1 . . . . 121 VAL H . 17758 1
2 . 1 1 3 3 VAL C C 13 176.17 0.2 . 1 . . . . 121 VAL C . 17758 1
3 . 1 1 3 3 VAL CA C 13 62.483 0.2 . 1 . . . . 121 VAL CA . 17758 1
4 . 1 1 3 3 VAL CB C 13 32.836 0.2 . 1 . . . . 121 VAL CB . 17758 1
5 . 1 1 4 4 VAL H H 1 8.293 0.05 . 1 . . . . 122 VAL H . 17758 1
6 . 1 1 4 4 VAL C C 13 176.512 0.2 . 1 . . . . 122 VAL C . 17758 1
7 . 1 1 4 4 VAL CA C 13 62.542 0.2 . 1 . . . . 122 VAL CA . 17758 1
8 . 1 1 4 4 VAL CB C 13 32.805 0.2 . 1 . . . . 122 VAL CB . 17758 1
9 . 1 1 5 5 GLY H H 1 8.461 0.05 . 1 . . . . 123 GLY H . 17758 1
10 . 1 1 5 5 GLY C C 13 174.378 0.2 . 1 . . . . 123 GLY C . 17758 1
11 . 1 1 5 5 GLY CA C 13 45.218 0.2 . 1 . . . . 123 GLY CA . 17758 1
12 . 1 1 6 6 GLY H H 1 8.239 0.05 . 1 . . . . 124 GLY H . 17758 1
13 . 1 1 6 6 GLY C C 13 174.184 0.2 . 1 . . . . 124 GLY C . 17758 1
14 . 1 1 6 6 GLY CA C 13 45.257 0.2 . 1 . . . . 124 GLY CA . 17758 1
15 . 1 1 7 7 LEU H H 1 8.278 0.05 . 1 . . . . 125 LEU H . 17758 1
16 . 1 1 7 7 LEU C C 13 177.937 0.2 . 1 . . . . 125 LEU C . 17758 1
17 . 1 1 7 7 LEU CA C 13 55.407 0.2 . 1 . . . . 125 LEU CA . 17758 1
18 . 1 1 7 7 LEU CB C 13 42.486 0.2 . 1 . . . . 125 LEU CB . 17758 1
19 . 1 1 8 8 GLY H H 1 8.46 0.05 . 1 . . . . 126 GLY H . 17758 1
20 . 1 1 8 8 GLY C C 13 174.427 0.2 . 1 . . . . 126 GLY C . 17758 1
21 . 1 1 8 8 GLY CA C 13 45.377 0.2 . 1 . . . . 126 GLY CA . 17758 1
22 . 1 1 9 9 GLY H H 1 8.212 0.05 . 1 . . . . 127 GLY H . 17758 1
23 . 1 1 9 9 GLY C C 13 173.804 0.2 . 1 . . . . 127 GLY C . 17758 1
24 . 1 1 9 9 GLY CA C 13 45.291 0.2 . 1 . . . . 127 GLY CA . 17758 1
25 . 1 1 10 10 TYR H H 1 8.092 0.05 . 1 . . . . 128 TYR H . 17758 1
26 . 1 1 10 10 TYR C C 13 175.698 0.2 . 1 . . . . 128 TYR C . 17758 1
27 . 1 1 10 10 TYR CA C 13 58.004 0.2 . 1 . . . . 128 TYR CA . 17758 1
28 . 1 1 10 10 TYR CB C 13 38.955 0.2 . 1 . . . . 128 TYR CB . 17758 1
29 . 1 1 11 11 MET H H 1 8.396 0.05 . 1 . . . . 129 MET H . 17758 1
30 . 1 1 11 11 MET C C 13 175.782 0.2 . 1 . . . . 129 MET C . 17758 1
31 . 1 1 11 11 MET CA C 13 55.474 0.2 . 1 . . . . 129 MET CA . 17758 1
32 . 1 1 11 11 MET CB C 13 32.927 0.2 . 1 . . . . 129 MET CB . 17758 1
33 . 1 1 12 12 LEU H H 1 8.258 0.05 . 1 . . . . 130 LEU H . 17758 1
34 . 1 1 12 12 LEU C C 13 177.735 0.2 . 1 . . . . 130 LEU C . 17758 1
35 . 1 1 12 12 LEU CA C 13 55.474 0.2 . 1 . . . . 130 LEU CA . 17758 1
36 . 1 1 12 12 LEU CB C 13 42.429 0.2 . 1 . . . . 130 LEU CB . 17758 1
37 . 1 1 13 13 GLY H H 1 8.433 0.05 . 1 . . . . 131 GLY H . 17758 1
38 . 1 1 13 13 GLY C C 13 174.109 0.2 . 1 . . . . 131 GLY C . 17758 1
39 . 1 1 13 13 GLY CA C 13 45.311 0.2 . 1 . . . . 131 GLY CA . 17758 1
40 . 1 1 14 14 SER H H 1 8.226 0.05 . 1 . . . . 132 SER H . 17758 1
41 . 1 1 14 14 SER C C 13 174.564 0.2 . 1 . . . . 132 SER C . 17758 1
42 . 1 1 14 14 SER CA C 13 58.393 0.2 . 1 . . . . 132 SER CA . 17758 1
43 . 1 1 14 14 SER CB C 13 64.222 0.2 . 1 . . . . 132 SER CB . 17758 1
44 . 1 1 15 15 ALA H H 1 8.446 0.05 . 1 . . . . 133 ALA H . 17758 1
45 . 1 1 15 15 ALA C C 13 177.671 0.2 . 1 . . . . 133 ALA C . 17758 1
46 . 1 1 15 15 ALA CA C 13 52.88 0.2 . 1 . . . . 133 ALA CA . 17758 1
47 . 1 1 15 15 ALA CB C 13 19.163 0.2 . 1 . . . . 133 ALA CB . 17758 1
48 . 1 1 16 16 MET H H 1 8.277 0.05 . 1 . . . . 134 MET H . 17758 1
49 . 1 1 16 16 MET C C 13 176.213 0.2 . 1 . . . . 134 MET C . 17758 1
50 . 1 1 16 16 MET CA C 13 55.608 0.2 . 1 . . . . 134 MET CA . 17758 1
51 . 1 1 16 16 MET CB C 13 33.084 0.2 . 1 . . . . 134 MET CB . 17758 1
52 . 1 1 17 17 SER H H 1 8.267 0.05 . 1 . . . . 135 SER H . 17758 1
53 . 1 1 17 17 SER C C 13 174.032 0.2 . 1 . . . . 135 SER C . 17758 1
54 . 1 1 17 17 SER CA C 13 58.353 0.2 . 1 . . . . 135 SER CA . 17758 1
55 . 1 1 17 17 SER CB C 13 64.065 0.2 . 1 . . . . 135 SER CB . 17758 1
56 . 1 1 18 18 ARG H H 1 8.37 0.05 . 1 . . . . 136 ARG H . 17758 1
57 . 1 1 18 18 ARG C C 13 173.961 0.2 . 1 . . . . 136 ARG C . 17758 1
58 . 1 1 18 18 ARG CA C 13 54.193 0.2 . 1 . . . . 136 ARG CA . 17758 1
59 . 1 1 18 18 ARG CB C 13 30.38 0.2 . 1 . . . . 136 ARG CB . 17758 1
60 . 1 1 19 19 PRO CA C 13 63.183 0.2 . 1 . . . . 137 PRO CA . 17758 1
61 . 1 1 19 19 PRO CB C 13 32.131 0.2 . 1 . . . . 137 PRO CB . 17758 1
62 . 1 1 20 20 MET H H 1 8.501 0.05 . 1 . . . . 138 MET H . 17758 1
63 . 1 1 20 20 MET C C 13 175.825 0.2 . 1 . . . . 138 MET C . 17758 1
64 . 1 1 20 20 MET CA C 13 55.543 0.2 . 1 . . . . 138 MET CA . 17758 1
65 . 1 1 20 20 MET CB C 13 33.207 0.2 . 1 . . . . 138 MET CB . 17758 1
66 . 1 1 21 21 ILE H H 1 8.185 0.05 . 1 . . . . 139 ILE H . 17758 1
67 . 1 1 21 21 ILE C C 13 175.55 0.2 . 1 . . . . 139 ILE C . 17758 1
68 . 1 1 21 21 ILE CA C 13 60.892 0.2 . 1 . . . . 139 ILE CA . 17758 1
69 . 1 1 21 21 ILE CB C 13 38.932 0.2 . 1 . . . . 139 ILE CB . 17758 1
70 . 1 1 22 22 HIS H H 1 8.538 0.05 . 1 . . . . 140 HIS H . 17758 1
71 . 1 1 22 22 HIS C C 13 173.779 0.2 . 1 . . . . 140 HIS C . 17758 1
72 . 1 1 22 22 HIS CA C 13 54.712 0.2 . 1 . . . . 140 HIS CA . 17758 1
73 . 1 1 22 22 HIS CB C 13 29.173 0.2 . 1 . . . . 140 HIS CB . 17758 1
74 . 1 1 23 23 PHE H H 1 8.441 0.05 . 1 . . . . 141 PHE H . 17758 1
75 . 1 1 23 23 PHE C C 13 175.982 0.2 . 1 . . . . 141 PHE C . 17758 1
76 . 1 1 23 23 PHE CA C 13 57.862 0.2 . 1 . . . . 141 PHE CA . 17758 1
77 . 1 1 23 23 PHE CB C 13 40.034 0.2 . 1 . . . . 141 PHE CB . 17758 1
78 . 1 1 24 24 GLY H H 1 8.438 0.05 . 1 . . . . 142 GLY H . 17758 1
79 . 1 1 24 24 GLY C C 13 173.632 0.2 . 1 . . . . 142 GLY C . 17758 1
80 . 1 1 24 24 GLY CA C 13 45.221 0.2 . 1 . . . . 142 GLY CA . 17758 1
81 . 1 1 25 25 ASN H H 1 8.369 0.05 . 1 . . . . 143 ASN H . 17758 1
82 . 1 1 25 25 ASN C C 13 175.238 0.2 . 1 . . . . 143 ASN C . 17758 1
83 . 1 1 25 25 ASN CA C 13 53.313 0.2 . 1 . . . . 143 ASN CA . 17758 1
84 . 1 1 25 25 ASN CB C 13 38.986 0.2 . 1 . . . . 143 ASN CB . 17758 1
85 . 1 1 26 26 ASP CA C 13 53.211 0.2 . 1 . . . . 144 ASP CA . 17758 1
86 . 1 1 26 26 ASP CB C 13 37.814 0.2 . 1 . . . . 144 ASP CB . 17758 1
87 . 1 1 27 27 TRP H H 1 8.063 0.05 . 1 . . . . 145 TRP H . 17758 1
88 . 1 1 27 27 TRP C C 13 176.388 0.2 . 1 . . . . 145 TRP C . 17758 1
89 . 1 1 27 27 TRP CA C 13 57.902 0.2 . 1 . . . . 145 TRP CA . 17758 1
90 . 1 1 27 27 TRP CB C 13 29.286 0.2 . 1 . . . . 145 TRP CB . 17758 1
91 . 1 1 28 28 GLU H H 1 8.035 0.05 . 1 . . . . 146 GLU H . 17758 1
92 . 1 1 28 28 GLU C C 13 175.682 0.2 . 1 . . . . 146 GLU C . 17758 1
93 . 1 1 28 28 GLU CA C 13 56.369 0.2 . 1 . . . . 146 GLU CA . 17758 1
94 . 1 1 28 28 GLU CB C 13 28.525 0.2 . 1 . . . . 146 GLU CB . 17758 1
95 . 1 1 29 29 ASP H H 1 8.202 0.05 . 1 . . . . 147 ASP H . 17758 1
96 . 1 1 29 29 ASP C C 13 175.684 0.2 . 1 . . . . 147 ASP C . 17758 1
97 . 1 1 29 29 ASP CA C 13 53.164 0.2 . 1 . . . . 147 ASP CA . 17758 1
98 . 1 1 29 29 ASP CB C 13 37.997 0.2 . 1 . . . . 147 ASP CB . 17758 1
99 . 1 1 30 30 ARG H H 1 8.116 0.05 . 1 . . . . 148 ARG H . 17758 1
100 . 1 1 30 30 ARG C C 13 175.683 0.2 . 1 . . . . 148 ARG C . 17758 1
101 . 1 1 30 30 ARG CA C 13 56.678 0.2 . 1 . . . . 148 ARG CA . 17758 1
102 . 1 1 30 30 ARG CB C 13 30.75 0.2 . 1 . . . . 148 ARG CB . 17758 1
103 . 1 1 31 31 TYR H H 1 8.061 0.05 . 1 . . . . 149 TYR H . 17758 1
104 . 1 1 31 31 TYR C C 13 175.437 0.2 . 1 . . . . 149 TYR C . 17758 1
105 . 1 1 31 31 TYR CA C 13 57.916 0.2 . 1 . . . . 149 TYR CA . 17758 1
106 . 1 1 31 31 TYR CB C 13 38.803 0.2 . 1 . . . . 149 TYR CB . 17758 1
107 . 1 1 32 32 TYR H H 1 8.064 0.05 . 1 . . . . 150 TYR H . 17758 1
108 . 1 1 32 32 TYR C C 13 175.434 0.2 . 1 . . . . 150 TYR C . 17758 1
109 . 1 1 32 32 TYR CA C 13 57.955 0.2 . 1 . . . . 150 TYR CA . 17758 1
110 . 1 1 32 32 TYR CB C 13 38.996 0.2 . 1 . . . . 150 TYR CB . 17758 1
111 . 1 1 33 33 ARG H H 1 8.247 0.05 . 1 . . . . 151 ARG H . 17758 1
112 . 1 1 33 33 ARG C C 13 175.873 0.2 . 1 . . . . 151 ARG C . 17758 1
113 . 1 1 33 33 ARG CA C 13 56.1 0.2 . 1 . . . . 151 ARG CA . 17758 1
114 . 1 1 33 33 ARG CB C 13 30.936 0.2 . 1 . . . . 151 ARG CB . 17758 1
115 . 1 1 34 34 GLU H H 1 8.321 0.05 . 1 . . . . 152 GLU H . 17758 1
116 . 1 1 34 34 GLU C C 13 175.677 0.2 . 1 . . . . 152 GLU C . 17758 1
117 . 1 1 34 34 GLU CA C 13 56.023 0.2 . 1 . . . . 152 GLU CA . 17758 1
118 . 1 1 34 34 GLU CB C 13 28.987 0.2 . 1 . . . . 152 GLU CB . 17758 1
119 . 1 1 35 35 ASN H H 1 8.529 0.05 . 1 . . . . 153 ASN H . 17758 1
120 . 1 1 35 35 ASN C C 13 175.082 0.2 . 1 . . . . 153 ASN C . 17758 1
121 . 1 1 35 35 ASN CA C 13 53.383 0.2 . 1 . . . . 153 ASN CA . 17758 1
122 . 1 1 35 35 ASN CB C 13 38.815 0.2 . 1 . . . . 153 ASN CB . 17758 1
123 . 1 1 36 36 MET H H 1 8.276 0.05 . 1 . . . . 154 MET H . 17758 1
124 . 1 1 36 36 MET C C 13 175.626 0.2 . 1 . . . . 154 MET C . 17758 1
125 . 1 1 36 36 MET CA C 13 55.887 0.2 . 1 . . . . 154 MET CA . 17758 1
126 . 1 1 36 36 MET CB C 13 32.955 0.2 . 1 . . . . 154 MET CB . 17758 1
127 . 1 1 37 37 TYR H H 1 8.213 0.05 . 1 . . . . 155 TYR H . 17758 1
128 . 1 1 37 37 TYR C C 13 175.303 0.2 . 1 . . . . 155 TYR C . 17758 1
129 . 1 1 37 37 TYR CA C 13 57.95 0.2 . 1 . . . . 155 TYR CA . 17758 1
130 . 1 1 37 37 TYR CB C 13 38.903 0.2 . 1 . . . . 155 TYR CB . 17758 1
131 . 1 1 38 38 ARG H H 1 8.104 0.05 . 1 . . . . 156 ARG H . 17758 1
132 . 1 1 38 38 ARG C C 13 175.293 0.2 . 1 . . . . 156 ARG C . 17758 1
133 . 1 1 38 38 ARG CA C 13 55.764 0.2 . 1 . . . . 156 ARG CA . 17758 1
134 . 1 1 38 38 ARG CB C 13 31.211 0.2 . 1 . . . . 156 ARG CB . 17758 1
135 . 1 1 39 39 TYR H H 1 8.28 0.05 . 1 . . . . 157 TYR H . 17758 1
136 . 1 1 39 39 TYR C C 13 174.263 0.2 . 1 . . . . 157 TYR C . 17758 1
137 . 1 1 39 39 TYR CA C 13 56.017 0.2 . 1 . . . . 157 TYR CA . 17758 1
138 . 1 1 39 39 TYR CB C 13 38.187 0.2 . 1 . . . . 157 TYR CB . 17758 1
139 . 1 1 40 40 PRO C C 13 176.47 0.2 . 1 . . . . 158 PRO C . 17758 1
140 . 1 1 40 40 PRO CA C 13 63.517 0.2 . 1 . . . . 158 PRO CA . 17758 1
141 . 1 1 40 40 PRO CB C 13 32.084 0.2 . 1 . . . . 158 PRO CB . 17758 1
142 . 1 1 41 41 ASN H H 1 8.453 0.05 . 1 . . . . 159 ASN H . 17758 1
143 . 1 1 41 41 ASN C C 13 175.112 0.2 . 1 . . . . 159 ASN C . 17758 1
144 . 1 1 41 41 ASN CA C 13 53.499 0.2 . 1 . . . . 159 ASN CA . 17758 1
145 . 1 1 41 41 ASN CB C 13 38.832 0.2 . 1 . . . . 159 ASN CB . 17758 1
146 . 1 1 42 42 GLN H H 1 8.286 0.05 . 1 . . . . 160 GLN H . 17758 1
147 . 1 1 42 42 GLN C C 13 175.395 0.2 . 1 . . . . 160 GLN C . 17758 1
148 . 1 1 42 42 GLN CA C 13 55.887 0.2 . 1 . . . . 160 GLN CA . 17758 1
149 . 1 1 42 42 GLN CB C 13 29.749 0.2 . 1 . . . . 160 GLN CB . 17758 1
150 . 1 1 43 43 VAL H H 1 8.126 0.05 . 1 . . . . 161 VAL H . 17758 1
151 . 1 1 43 43 VAL C C 13 175.371 0.2 . 1 . . . . 161 VAL C . 17758 1
152 . 1 1 43 43 VAL CA C 13 62.386 0.2 . 1 . . . . 161 VAL CA . 17758 1
153 . 1 1 43 43 VAL CB C 13 32.901 0.2 . 1 . . . . 161 VAL CB . 17758 1
154 . 1 1 44 44 TYR H H 1 8.24 0.05 . 1 . . . . 162 TYR H . 17758 1
155 . 1 1 44 44 TYR C C 13 175.054 0.2 . 1 . . . . 162 TYR C . 17758 1
156 . 1 1 44 44 TYR CA C 13 57.635 0.2 . 1 . . . . 162 TYR CA . 17758 1
157 . 1 1 44 44 TYR CB C 13 39.249 0.2 . 1 . . . . 162 TYR CB . 17758 1
158 . 1 1 45 45 TYR H H 1 8.214 0.05 . 1 . . . . 163 TYR H . 17758 1
159 . 1 1 45 45 TYR C C 13 174.819 0.2 . 1 . . . . 163 TYR C . 17758 1
160 . 1 1 45 45 TYR CA C 13 57.622 0.2 . 1 . . . . 163 TYR CA . 17758 1
161 . 1 1 45 45 TYR CB C 13 39.232 0.2 . 1 . . . . 163 TYR CB . 17758 1
162 . 1 1 46 46 ARG H H 1 8.289 0.05 . 1 . . . . 164 ARG H . 17758 1
163 . 1 1 46 46 ARG C C 13 173.581 0.2 . 1 . . . . 164 ARG C . 17758 1
164 . 1 1 46 46 ARG CA C 13 53.65 0.2 . 1 . . . . 164 ARG CA . 17758 1
165 . 1 1 47 47 PRO CA C 13 63.033 0.2 . 1 . . . . 165 PRO CA . 17758 1
166 . 1 1 47 47 PRO CB C 13 32.181 0.2 . 1 . . . . 165 PRO CB . 17758 1
167 . 1 1 48 48 VAL H H 1 8.248 0.05 . 1 . . . . 166 VAL H . 17758 1
168 . 1 1 48 48 VAL C C 13 175.954 0.2 . 1 . . . . 166 VAL C . 17758 1
169 . 1 1 48 48 VAL CA C 13 62.459 0.2 . 1 . . . . 166 VAL CA . 17758 1
170 . 1 1 48 48 VAL CB C 13 32.913 0.2 . 1 . . . . 166 VAL CB . 17758 1
171 . 1 1 49 49 ASP H H 1 8.544 0.05 . 1 . . . . 167 ASP H . 17758 1
172 . 1 1 49 49 ASP C C 13 175.97 0.2 . 1 . . . . 167 ASP C . 17758 1
173 . 1 1 49 49 ASP CA C 13 52.853 0.2 . 1 . . . . 167 ASP CA . 17758 1
174 . 1 1 49 49 ASP CB C 13 38.136 0.2 . 1 . . . . 167 ASP CB . 17758 1
175 . 1 1 50 50 GLN H H 1 8.407 0.05 . 1 . . . . 168 GLN H . 17758 1
176 . 1 1 50 50 GLN C C 13 175.45 0.2 . 1 . . . . 168 GLN C . 17758 1
177 . 1 1 50 50 GLN CA C 13 56.184 0.2 . 1 . . . . 168 GLN CA . 17758 1
178 . 1 1 50 50 GLN CB C 13 29.491 0.2 . 1 . . . . 168 GLN CB . 17758 1
179 . 1 1 51 51 TYR H H 1 8.187 0.05 . 1 . . . . 169 TYR H . 17758 1
180 . 1 1 51 51 TYR C C 13 175.449 0.2 . 1 . . . . 169 TYR C . 17758 1
181 . 1 1 51 51 TYR CA C 13 57.858 0.2 . 1 . . . . 169 TYR CA . 17758 1
182 . 1 1 51 51 TYR CB C 13 38.83 0.2 . 1 . . . . 169 TYR CB . 17758 1
183 . 1 1 52 52 SER H H 1 8.227 0.05 . 1 . . . . 170 SER H . 17758 1
184 . 1 1 52 52 SER C C 13 174.242 0.2 . 1 . . . . 170 SER C . 17758 1
185 . 1 1 52 52 SER CA C 13 58.134 0.2 . 1 . . . . 170 SER CA . 17758 1
186 . 1 1 52 52 SER CB C 13 64.127 0.2 . 1 . . . . 170 SER CB . 17758 1
187 . 1 1 53 53 ASN H H 1 8.507 0.05 . 1 . . . . 171 ASN H . 17758 1
188 . 1 1 53 53 ASN C C 13 175.293 0.2 . 1 . . . . 171 ASN C . 17758 1
189 . 1 1 53 53 ASN CA C 13 53.401 0.2 . 1 . . . . 171 ASN CA . 17758 1
190 . 1 1 53 53 ASN CB C 13 38.866 0.2 . 1 . . . . 171 ASN CB . 17758 1
191 . 1 1 54 54 GLN H H 1 8.367 0.05 . 1 . . . . 172 GLN H . 17758 1
192 . 1 1 54 54 GLN C C 13 175.682 0.2 . 1 . . . . 172 GLN C . 17758 1
193 . 1 1 54 54 GLN CA C 13 56.27 0.2 . 1 . . . . 172 GLN CA . 17758 1
194 . 1 1 54 54 GLN CB C 13 29.39 0.2 . 1 . . . . 172 GLN CB . 17758 1
195 . 1 1 55 55 ASN H H 1 8.429 0.05 . 1 . . . . 173 ASN H . 17758 1
196 . 1 1 55 55 ASN C C 13 174.83 0.2 . 1 . . . . 173 ASN C . 17758 1
197 . 1 1 55 55 ASN CA C 13 53.408 0.2 . 1 . . . . 173 ASN CA . 17758 1
198 . 1 1 55 55 ASN CB C 13 38.942 0.2 . 1 . . . . 173 ASN CB . 17758 1
199 . 1 1 56 56 ASN H H 1 8.299 0.05 . 1 . . . . 174 ASN H . 17758 1
200 . 1 1 56 56 ASN C C 13 174.76 0.2 . 1 . . . . 174 ASN C . 17758 1
201 . 1 1 56 56 ASN CA C 13 53.322 0.2 . 1 . . . . 174 ASN CA . 17758 1
202 . 1 1 56 56 ASN CB C 13 38.885 0.2 . 1 . . . . 174 ASN CB . 17758 1
203 . 1 1 57 57 PHE H H 1 8.129 0.05 . 1 . . . . 175 PHE H . 17758 1
204 . 1 1 57 57 PHE C C 13 175.524 0.2 . 1 . . . . 175 PHE C . 17758 1
205 . 1 1 57 57 PHE CA C 13 57.741 0.2 . 1 . . . . 175 PHE CA . 17758 1
206 . 1 1 57 57 PHE CB C 13 39.488 0.2 . 1 . . . . 175 PHE CB . 17758 1
207 . 1 1 58 58 VAL H H 1 8.091 0.05 . 1 . . . . 176 VAL H . 17758 1
208 . 1 1 58 58 VAL C C 13 175.703 0.2 . 1 . . . . 176 VAL C . 17758 1
209 . 1 1 58 58 VAL CA C 13 62.541 0.2 . 1 . . . . 176 VAL CA . 17758 1
210 . 1 1 58 58 VAL CB C 13 32.776 0.2 . 1 . . . . 176 VAL CB . 17758 1
211 . 1 1 59 59 HIS H H 1 8.624 0.05 . 1 . . . . 177 HIS H . 17758 1
212 . 1 1 59 59 HIS C C 13 173.987 0.2 . 1 . . . . 177 HIS C . 17758 1
213 . 1 1 59 59 HIS CA C 13 55.054 0.2 . 1 . . . . 177 HIS CA . 17758 1
214 . 1 1 59 59 HIS CB C 13 29.07 0.2 . 1 . . . . 177 HIS CB . 17758 1
215 . 1 1 60 60 ASP H H 1 8.61 0.05 . 1 . . . . 178 ASP H . 17758 1
216 . 1 1 60 60 ASP C C 13 173.981 0.2 . 1 . . . . 178 ASP C . 17758 1
217 . 1 1 60 60 ASP CA C 13 53.015 0.2 . 1 . . . . 178 ASP CA . 17758 1
218 . 1 1 60 60 ASP CB C 13 38.367 0.2 . 1 . . . . 178 ASP CB . 17758 1
219 . 1 1 65 65 THR H H 1 8.362 0.05 . 1 . . . . 183 THR H . 17758 1
220 . 1 1 65 65 THR C C 13 174.303 0.2 . 1 . . . . 183 THR C . 17758 1
221 . 1 1 65 65 THR CA C 13 62.1 0.2 . 1 . . . . 183 THR CA . 17758 1
222 . 1 1 65 65 THR CB C 13 70.003 0.2 . 1 . . . . 183 THR CB . 17758 1
223 . 1 1 66 66 ILE H H 1 8.291 0.05 . 1 . . . . 184 ILE H . 17758 1
224 . 1 1 66 66 ILE C C 13 176.185 0.2 . 1 . . . . 184 ILE C . 17758 1
225 . 1 1 66 66 ILE CA C 13 60.859 0.2 . 1 . . . . 184 ILE CA . 17758 1
226 . 1 1 66 66 ILE CB C 13 38.85 0.2 . 1 . . . . 184 ILE CB . 17758 1
227 . 1 1 67 67 LYS H H 1 8.473 0.05 . 1 . . . . 185 LYS H . 17758 1
228 . 1 1 67 67 LYS C C 13 176.3 0.2 . 1 . . . . 185 LYS C . 17758 1
229 . 1 1 67 67 LYS CA C 13 56.273 0.2 . 1 . . . . 185 LYS CA . 17758 1
230 . 1 1 67 67 LYS CB C 13 33.122 0.2 . 1 . . . . 185 LYS CB . 17758 1
231 . 1 1 68 68 GLN H H 1 8.494 0.05 . 1 . . . . 186 GLN H . 17758 1
232 . 1 1 68 68 GLN C C 13 175.784 0.2 . 1 . . . . 186 GLN C . 17758 1
233 . 1 1 68 68 GLN CA C 13 55.556 0.2 . 1 . . . . 186 GLN CA . 17758 1
234 . 1 1 68 68 GLN CB C 13 30.494 0.2 . 1 . . . . 186 GLN CB . 17758 1
235 . 1 1 69 69 HIS H H 1 8.767 0.05 . 1 . . . . 187 HIS H . 17758 1
236 . 1 1 69 69 HIS C C 13 174.383 0.2 . 1 . . . . 187 HIS C . 17758 1
237 . 1 1 70 70 THR H H 1 8.394 0.05 . 1 . . . . 188 THR H . 17758 1
238 . 1 1 70 70 THR C C 13 174.307 0.2 . 1 . . . . 188 THR C . 17758 1
239 . 1 1 70 70 THR CA C 13 62.018 0.2 . 1 . . . . 188 THR CA . 17758 1
240 . 1 1 70 70 THR CB C 13 70.162 0.2 . 1 . . . . 188 THR CB . 17758 1
241 . 1 1 71 71 VAL H H 1 8.42 0.05 . 1 . . . . 189 VAL H . 17758 1
242 . 1 1 71 71 VAL C C 13 176.132 0.2 . 1 . . . . 189 VAL C . 17758 1
243 . 1 1 71 71 VAL CA C 13 62.212 0.2 . 1 . . . . 189 VAL CA . 17758 1
244 . 1 1 71 71 VAL CB C 13 33.097 0.2 . 1 . . . . 189 VAL CB . 17758 1
245 . 1 1 72 72 THR H H 1 8.382 0.05 . 1 . . . . 190 THR H . 17758 1
246 . 1 1 72 72 THR C C 13 174.652 0.2 . 1 . . . . 190 THR C . 17758 1
247 . 1 1 72 72 THR CA C 13 61.736 0.2 . 1 . . . . 190 THR CA . 17758 1
248 . 1 1 72 72 THR CB C 13 70.045 0.2 . 1 . . . . 190 THR CB . 17758 1
249 . 1 1 73 73 THR H H 1 8.296 0.05 . 1 . . . . 191 THR H . 17758 1
250 . 1 1 73 73 THR C C 13 174.633 0.2 . 1 . . . . 191 THR C . 17758 1
251 . 1 1 73 73 THR CA C 13 61.694 0.2 . 1 . . . . 191 THR CA . 17758 1
252 . 1 1 73 73 THR CB C 13 70.057 0.2 . 1 . . . . 191 THR CB . 17758 1
253 . 1 1 74 74 THR H H 1 8.272 0.05 . 1 . . . . 192 THR H . 17758 1
254 . 1 1 74 74 THR C C 13 174.72 0.2 . 1 . . . . 192 THR C . 17758 1
255 . 1 1 74 74 THR CA C 13 61.669 0.2 . 1 . . . . 192 THR CA . 17758 1
256 . 1 1 74 74 THR CB C 13 70.059 0.2 . 1 . . . . 192 THR CB . 17758 1
257 . 1 1 75 75 THR H H 1 8.221 0.05 . 1 . . . . 193 THR H . 17758 1
258 . 1 1 75 75 THR C C 13 174.571 0.2 . 1 . . . . 193 THR C . 17758 1
259 . 1 1 75 75 THR CA C 13 61.866 0.2 . 1 . . . . 193 THR CA . 17758 1
260 . 1 1 75 75 THR CB C 13 70.006 0.2 . 1 . . . . 193 THR CB . 17758 1
261 . 1 1 76 76 LYS H H 1 8.386 0.05 . 1 . . . . 194 LYS H . 17758 1
262 . 1 1 76 76 LYS C C 13 176.875 0.2 . 1 . . . . 194 LYS C . 17758 1
263 . 1 1 76 76 LYS CA C 13 56.781 0.2 . 1 . . . . 194 LYS CA . 17758 1
264 . 1 1 76 76 LYS CB C 13 33.112 0.2 . 1 . . . . 194 LYS CB . 17758 1
265 . 1 1 77 77 GLY H H 1 8.425 0.05 . 1 . . . . 195 GLY H . 17758 1
266 . 1 1 77 77 GLY C C 13 173.912 0.2 . 1 . . . . 195 GLY C . 17758 1
267 . 1 1 77 77 GLY CA C 13 45.27 0.2 . 1 . . . . 195 GLY CA . 17758 1
268 . 1 1 78 78 GLU H H 1 8.179 0.05 . 1 . . . . 196 GLU H . 17758 1
269 . 1 1 78 78 GLU C C 13 175.514 0.2 . 1 . . . . 196 GLU C . 17758 1
270 . 1 1 78 78 GLU CA C 13 55.779 0.2 . 1 . . . . 196 GLU CA . 17758 1
271 . 1 1 78 78 GLU CB C 13 29.099 0.2 . 1 . . . . 196 GLU CB . 17758 1
272 . 1 1 79 79 ASN H H 1 8.502 0.05 . 1 . . . . 197 ASN H . 17758 1
273 . 1 1 79 79 ASN C C 13 174.865 0.2 . 1 . . . . 197 ASN C . 17758 1
274 . 1 1 79 79 ASN CA C 13 53.137 0.2 . 1 . . . . 197 ASN CA . 17758 1
275 . 1 1 79 79 ASN CB C 13 38.945 0.2 . 1 . . . . 197 ASN CB . 17758 1
276 . 1 1 80 80 PHE H H 1 8.279 0.05 . 1 . . . . 198 PHE H . 17758 1
277 . 1 1 80 80 PHE C C 13 175.8 0.2 . 1 . . . . 198 PHE C . 17758 1
278 . 1 1 80 80 PHE CA C 13 57.956 0.2 . 1 . . . . 198 PHE CA . 17758 1
279 . 1 1 80 80 PHE CB C 13 39.628 0.2 . 1 . . . . 198 PHE CB . 17758 1
280 . 1 1 81 81 THR H H 1 8.179 0.05 . 1 . . . . 199 THR H . 17758 1
281 . 1 1 81 81 THR C C 13 174.405 0.2 . 1 . . . . 199 THR C . 17758 1
282 . 1 1 81 81 THR CA C 13 62.08 0.2 . 1 . . . . 199 THR CA . 17758 1
283 . 1 1 81 81 THR CB C 13 70.067 0.2 . 1 . . . . 199 THR CB . 17758 1
284 . 1 1 82 82 GLU H H 1 8.37 0.05 . 1 . . . . 200 GLU H . 17758 1
285 . 1 1 82 82 GLU C C 13 175.984 0.2 . 1 . . . . 200 GLU C . 17758 1
286 . 1 1 82 82 GLU CA C 13 56.016 0.2 . 1 . . . . 200 GLU CA . 17758 1
287 . 1 1 82 82 GLU CB C 13 28.871 0.2 . 1 . . . . 200 GLU CB . 17758 1
288 . 1 1 83 83 THR H H 1 8.193 0.05 . 1 . . . . 201 THR H . 17758 1
289 . 1 1 83 83 THR C C 13 174.25 0.2 . 1 . . . . 201 THR C . 17758 1
290 . 1 1 83 83 THR CA C 13 62.167 0.2 . 1 . . . . 201 THR CA . 17758 1
291 . 1 1 83 83 THR CB C 13 69.889 0.2 . 1 . . . . 201 THR CB . 17758 1
292 . 1 1 84 84 ASP H H 1 8.459 0.05 . 1 . . . . 202 ASP H . 17758 1
293 . 1 1 84 84 ASP C C 13 175.274 0.2 . 1 . . . . 202 ASP C . 17758 1
294 . 1 1 84 84 ASP CA C 13 53.088 0.2 . 1 . . . . 202 ASP CA . 17758 1
295 . 1 1 84 84 ASP CB C 13 37.999 0.2 . 1 . . . . 202 ASP CB . 17758 1
296 . 1 1 85 85 VAL H H 1 8.042 0.05 . 1 . . . . 203 VAL H . 17758 1
297 . 1 1 85 85 VAL C C 13 176.031 0.2 . 1 . . . . 203 VAL C . 17758 1
298 . 1 1 85 85 VAL CA C 13 62.78 0.2 . 1 . . . . 203 VAL CA . 17758 1
299 . 1 1 85 85 VAL CB C 13 32.745 0.2 . 1 . . . . 203 VAL CB . 17758 1
300 . 1 1 86 86 LYS H H 1 8.341 0.05 . 1 . . . . 204 LYS H . 17758 1
301 . 1 1 86 86 LYS C C 13 176.598 0.2 . 1 . . . . 204 LYS C . 17758 1
302 . 1 1 86 86 LYS CA C 13 56.651 0.2 . 1 . . . . 204 LYS CA . 17758 1
303 . 1 1 86 86 LYS CB C 13 32.891 0.2 . 1 . . . . 204 LYS CB . 17758 1
304 . 1 1 87 87 MET CA C 13 55.699 0.2 . 1 . . . . 205 MET CA . 17758 1
305 . 1 1 87 87 MET CB C 13 33.057 0.2 . 1 . . . . 205 MET CB . 17758 1
306 . 1 1 88 88 MET H H 1 8.454 0.05 . 1 . . . . 206 MET H . 17758 1
307 . 1 1 88 88 MET C C 13 176.083 0.2 . 1 . . . . 206 MET C . 17758 1
308 . 1 1 88 88 MET CA C 13 55.769 0.2 . 1 . . . . 206 MET CA . 17758 1
309 . 1 1 88 88 MET CB C 13 33.071 0.2 . 1 . . . . 206 MET CB . 17758 1
310 . 1 1 92 92 VAL H H 1 8.324 0.05 . 1 . . . . 210 VAL H . 17758 1
311 . 1 1 92 92 VAL C C 13 175.919 0.2 . 1 . . . . 210 VAL C . 17758 1
312 . 1 1 92 92 VAL CA C 13 62.543 0.2 . 1 . . . . 210 VAL CA . 17758 1
313 . 1 1 92 92 VAL CB C 13 32.837 0.2 . 1 . . . . 210 VAL CB . 17758 1
314 . 1 1 93 93 GLU H H 1 8.483 0.05 . 1 . . . . 211 GLU H . 17758 1
315 . 1 1 93 93 GLU C C 13 175.537 0.2 . 1 . . . . 211 GLU C . 17758 1
316 . 1 1 93 93 GLU CA C 13 55.596 0.2 . 1 . . . . 211 GLU CA . 17758 1
317 . 1 1 93 93 GLU CB C 13 29.302 0.2 . 1 . . . . 211 GLU CB . 17758 1
318 . 1 1 94 94 GLN H H 1 8.528 0.05 . 1 . . . . 212 GLN H . 17758 1
319 . 1 1 94 94 GLN C C 13 175.61 0.2 . 1 . . . . 212 GLN C . 17758 1
320 . 1 1 94 94 GLN CA C 13 55.849 0.2 . 1 . . . . 212 GLN CA . 17758 1
321 . 1 1 94 94 GLN CB C 13 29.873 0.2 . 1 . . . . 212 GLN CB . 17758 1
322 . 1 1 95 95 MET H H 1 8.59 0.05 . 1 . . . . 213 MET H . 17758 1
323 . 1 1 95 95 MET C C 13 176.036 0.2 . 1 . . . . 213 MET C . 17758 1
324 . 1 1 95 95 MET CA C 13 55.676 0.2 . 1 . . . . 213 MET CA . 17758 1
325 . 1 1 95 95 MET CB C 13 33.352 0.2 . 1 . . . . 213 MET CB . 17758 1
326 . 1 1 96 96 CYS CA C 13 55.555 0.2 . 1 . . . . 214 CYS CA . 17758 1
327 . 1 1 96 96 CYS CB C 13 41.947 0.2 . 1 . . . . 214 CYS CB . 17758 1
328 . 1 1 102 102 LYS H H 1 8.391 0.05 . 1 . . . . 220 LYS H . 17758 1
329 . 1 1 102 102 LYS C C 13 176.625 0.2 . 1 . . . . 220 LYS C . 17758 1
330 . 1 1 102 102 LYS CA C 13 56.774 0.2 . 1 . . . . 220 LYS CA . 17758 1
331 . 1 1 102 102 LYS CB C 13 33.089 0.2 . 1 . . . . 220 LYS CB . 17758 1
332 . 1 1 103 103 GLU H H 1 8.454 0.05 . 1 . . . . 221 GLU H . 17758 1
333 . 1 1 103 103 GLU C C 13 176.083 0.2 . 1 . . . . 221 GLU C . 17758 1
334 . 1 1 103 103 GLU CA C 13 55.769 0.2 . 1 . . . . 221 GLU CA . 17758 1
335 . 1 1 103 103 GLU CB C 13 28.998 0.2 . 1 . . . . 221 GLU CB . 17758 1
336 . 1 1 104 104 SER H H 1 8.41 0.05 . 1 . . . . 222 SER H . 17758 1
337 . 1 1 104 104 SER C C 13 174.567 0.2 . 1 . . . . 222 SER C . 17758 1
338 . 1 1 104 104 SER CA C 13 58.56 0.2 . 1 . . . . 222 SER CA . 17758 1
339 . 1 1 104 104 SER CB C 13 64.031 0.2 . 1 . . . . 222 SER CB . 17758 1
340 . 1 1 105 105 GLN H H 1 8.466 0.05 . 1 . . . . 223 GLN H . 17758 1
341 . 1 1 105 105 GLN C C 13 175.649 0.2 . 1 . . . . 223 GLN C . 17758 1
342 . 1 1 105 105 GLN CA C 13 56.153 0.2 . 1 . . . . 223 GLN CA . 17758 1
343 . 1 1 105 105 GLN CB C 13 29.525 0.2 . 1 . . . . 223 GLN CB . 17758 1
344 . 1 1 106 106 ALA H H 1 8.239 0.05 . 1 . . . . 224 ALA H . 17758 1
345 . 1 1 106 106 ALA C C 13 177.311 0.2 . 1 . . . . 224 ALA C . 17758 1
346 . 1 1 106 106 ALA CA C 13 52.763 0.2 . 1 . . . . 224 ALA CA . 17758 1
347 . 1 1 106 106 ALA CB C 13 19.204 0.2 . 1 . . . . 224 ALA CB . 17758 1
348 . 1 1 107 107 TYR H H 1 8.065 0.05 . 1 . . . . 225 TYR H . 17758 1
349 . 1 1 107 107 TYR C C 13 175.584 0.2 . 1 . . . . 225 TYR C . 17758 1
350 . 1 1 107 107 TYR CA C 13 58.118 0.2 . 1 . . . . 225 TYR CA . 17758 1
351 . 1 1 107 107 TYR CB C 13 39.09 0.2 . 1 . . . . 225 TYR CB . 17758 1
352 . 1 1 108 108 TYR H H 1 8.172 0.05 . 1 . . . . 226 TYR H . 17758 1
353 . 1 1 108 108 TYR C C 13 175.433 0.2 . 1 . . . . 226 TYR C . 17758 1
354 . 1 1 108 108 TYR CA C 13 58.054 0.2 . 1 . . . . 226 TYR CA . 17758 1
355 . 1 1 108 108 TYR CB C 13 39.02 0.2 . 1 . . . . 226 TYR CB . 17758 1
356 . 1 1 109 109 ASP CA C 13 52.811 0.2 . 1 . . . . 227 ASP CA . 17758 1
357 . 1 1 109 109 ASP CB C 13 38.194 0.2 . 1 . . . . 227 ASP CB . 17758 1
358 . 1 1 110 110 GLY H H 1 7.636 0.05 . 1 . . . . 228 GLY H . 17758 1
359 . 1 1 110 110 GLY C C 13 173.646 0.2 . 1 . . . . 228 GLY C . 17758 1
360 . 1 1 110 110 GLY CA C 13 45.427 0.2 . 1 . . . . 228 GLY CA . 17758 1
361 . 1 1 111 111 ARG H H 1 8.097 0.05 . 1 . . . . 229 ARG H . 17758 1
362 . 1 1 111 111 ARG C C 13 176.323 0.2 . 1 . . . . 229 ARG C . 17758 1
363 . 1 1 111 111 ARG CA C 13 56.148 0.2 . 1 . . . . 229 ARG CA . 17758 1
364 . 1 1 111 111 ARG CB C 13 31.087 0.2 . 1 . . . . 229 ARG CB . 17758 1
365 . 1 1 112 112 ARG H H 1 8.554 0.05 . 1 . . . . 230 ARG H . 17758 1
366 . 1 1 112 112 ARG C C 13 176.334 0.2 . 1 . . . . 230 ARG C . 17758 1
367 . 1 1 112 112 ARG CA C 13 56.215 0.2 . 1 . . . . 230 ARG CA . 17758 1
368 . 1 1 112 112 ARG CB C 13 31.102 0.2 . 1 . . . . 230 ARG CB . 17758 1
369 . 1 1 113 113 SER H H 1 8.482 0.05 . 1 . . . . 231 SER H . 17758 1
370 . 1 1 113 113 SER C C 13 174.171 0.2 . 1 . . . . 231 SER C . 17758 1
371 . 1 1 113 113 SER CA C 13 58.412 0.2 . 1 . . . . 231 SER CA . 17758 1
372 . 1 1 113 113 SER CB C 13 64.162 0.2 . 1 . . . . 231 SER CB . 17758 1
373 . 1 1 114 114 SER H H 1 8.37 0.05 . 1 . . . . 232 SER H . 17758 1
374 . 1 1 114 114 SER C C 13 176.394 0.2 . 1 . . . . 232 SER C . 17758 1
375 . 1 1 114 114 SER CA C 13 57.967 0.2 . 1 . . . . 232 SER CA . 17758 1
376 . 1 1 114 114 SER CB C 13 64.114 0.2 . 1 . . . . 232 SER CB . 17758 1
stop_
save_