###################################
# 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_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Entry_ID 1580
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_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 . 1580 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 5 5 GLY H H 1 8.08 . . 1 . . . . . . . . 1580 1
2 . 1 1 5 5 GLY HA2 H 1 4 . . 1 . . . . . . . . 1580 1
3 . 1 1 5 5 GLY HA3 H 1 4 . . 1 . . . . . . . . 1580 1
4 . 1 1 6 6 LEU H H 1 8.87 . . 1 . . . . . . . . 1580 1
5 . 1 1 6 6 LEU CA C 13 51.8 . . 1 . . . . . . . . 1580 1
6 . 1 1 6 6 LEU HA H 1 5.96 . . 1 . . . . . . . . 1580 1
7 . 1 1 6 6 LEU CB C 13 42.2 . . 1 . . . . . . . . 1580 1
8 . 1 1 6 6 LEU HB2 H 1 1.9 . . 2 . . . . . . . . 1580 1
9 . 1 1 6 6 LEU HB3 H 1 1.21 . . 2 . . . . . . . . 1580 1
10 . 1 1 7 7 PHE H H 1 9.52 . . 1 . . . . . . . . 1580 1
11 . 1 1 7 7 PHE CA C 13 53.8 . . 1 . . . . . . . . 1580 1
12 . 1 1 7 7 PHE HA H 1 5.54 . . 1 . . . . . . . . 1580 1
13 . 1 1 7 7 PHE CB C 13 38.9 . . 1 . . . . . . . . 1580 1
14 . 1 1 7 7 PHE HB2 H 1 3.21 . . 2 . . . . . . . . 1580 1
15 . 1 1 7 7 PHE HB3 H 1 2.72 . . 2 . . . . . . . . 1580 1
16 . 1 1 8 8 TYR H H 1 8.94 . . 1 . . . . . . . . 1580 1
17 . 1 1 8 8 TYR CA C 13 52.8 . . 1 . . . . . . . . 1580 1
18 . 1 1 8 8 TYR HA H 1 6.65 . . 1 . . . . . . . . 1580 1
19 . 1 1 9 9 GLY H H 1 8.93 . . 1 . . . . . . . . 1580 1
20 . 1 1 9 9 GLY CA C 13 41.6 . . 1 . . . . . . . . 1580 1
21 . 1 1 9 9 GLY HA2 H 1 4.91 . . 2 . . . . . . . . 1580 1
22 . 1 1 9 9 GLY HA3 H 1 3.59 . . 2 . . . . . . . . 1580 1
23 . 1 1 33 33 LEU HA H 1 4.79 . . 1 . . . . . . . . 1580 1
24 . 1 1 34 34 HIS H H 1 9.24 . . 1 . . . . . . . . 1580 1
25 . 1 1 34 34 HIS HA H 1 4.26 . . 1 . . . . . . . . 1580 1
26 . 1 1 34 34 HIS CB C 13 29.6 . . 1 . . . . . . . . 1580 1
27 . 1 1 34 34 HIS CG C 13 126.8 . . 1 . . . . . . . . 1580 1
28 . 1 1 34 34 HIS ND1 N 15 177.5 . . 1 . . . . . . . . 1580 1
29 . 1 1 34 34 HIS CD2 C 13 123.5 . . 1 . . . . . . . . 1580 1
30 . 1 1 34 34 HIS CE1 C 13 134.6 . . 1 . . . . . . . . 1580 1
31 . 1 1 34 34 HIS NE2 N 15 231.5 . . 1 . . . . . . . . 1580 1
32 . 1 1 34 34 HIS HD2 H 1 5.83 . . 1 . . . . . . . . 1580 1
33 . 1 1 34 34 HIS HE1 H 1 7.78 . . 1 . . . . . . . . 1580 1
34 . 1 1 35 35 ASP H H 1 8.26 . . 1 . . . . . . . . 1580 1
35 . 1 1 35 35 ASP HA H 1 3.71 . . 1 . . . . . . . . 1580 1
36 . 1 1 36 36 VAL H H 1 9.16 . . 1 . . . . . . . . 1580 1
37 . 1 1 36 36 VAL CA C 13 62.7 . . 1 . . . . . . . . 1580 1
38 . 1 1 36 36 VAL HA H 1 3.7 . . 1 . . . . . . . . 1580 1
39 . 1 1 36 36 VAL CB C 13 28.3 . . 1 . . . . . . . . 1580 1
40 . 1 1 36 36 VAL CG1 C 13 20.1 . . 2 . . . . . . . . 1580 1
41 . 1 1 36 36 VAL CG2 C 13 15.5 . . 2 . . . . . . . . 1580 1
42 . 1 1 36 36 VAL HB H 1 1.61 . . 1 . . . . . . . . 1580 1
43 . 1 1 36 36 VAL HG11 H 1 .07 . . 2 . . . . . . . . 1580 1
44 . 1 1 36 36 VAL HG12 H 1 .07 . . 2 . . . . . . . . 1580 1
45 . 1 1 36 36 VAL HG13 H 1 .07 . . 2 . . . . . . . . 1580 1
46 . 1 1 36 36 VAL HG21 H 1 .14 . . 2 . . . . . . . . 1580 1
47 . 1 1 36 36 VAL HG22 H 1 .14 . . 2 . . . . . . . . 1580 1
48 . 1 1 36 36 VAL HG23 H 1 .14 . . 2 . . . . . . . . 1580 1
49 . 1 1 49 49 TYR H H 1 6.99 . . 1 . . . . . . . . 1580 1
50 . 1 1 49 49 TYR CA C 13 52.7 . . 1 . . . . . . . . 1580 1
51 . 1 1 49 49 TYR HA H 1 5.27 . . 1 . . . . . . . . 1580 1
52 . 1 1 49 49 TYR CB C 13 37.7 . . 1 . . . . . . . . 1580 1
53 . 1 1 49 49 TYR CG C 13 128.2 . . 1 . . . . . . . . 1580 1
54 . 1 1 49 49 TYR HB2 H 1 2.69 . . 1 . . . . . . . . 1580 1
55 . 1 1 49 49 TYR HB3 H 1 2.69 . . 1 . . . . . . . . 1580 1
56 . 1 1 49 49 TYR CD1 C 13 130.9 . . 1 . . . . . . . . 1580 1
57 . 1 1 49 49 TYR CD2 C 13 130.9 . . 1 . . . . . . . . 1580 1
58 . 1 1 49 49 TYR CE1 C 13 115.7 . . 1 . . . . . . . . 1580 1
59 . 1 1 49 49 TYR HD1 H 1 6.92 . . 1 . . . . . . . . 1580 1
60 . 1 1 49 49 TYR CE2 C 13 115.7 . . 1 . . . . . . . . 1580 1
61 . 1 1 49 49 TYR HD2 H 1 6.92 . . 1 . . . . . . . . 1580 1
62 . 1 1 49 49 TYR CZ C 13 155 . . 1 . . . . . . . . 1580 1
63 . 1 1 49 49 TYR HE1 H 1 6.92 . . 1 . . . . . . . . 1580 1
64 . 1 1 49 49 TYR HE2 H 1 6.92 . . 1 . . . . . . . . 1580 1
65 . 1 1 50 50 LEU H H 1 8.95 . . 1 . . . . . . . . 1580 1
66 . 1 1 50 50 LEU CA C 13 50.8 . . 1 . . . . . . . . 1580 1
67 . 1 1 50 50 LEU HA H 1 5.6 . . 1 . . . . . . . . 1580 1
68 . 1 1 50 50 LEU CB C 13 47 . . 1 . . . . . . . . 1580 1
69 . 1 1 50 50 LEU CG C 13 25.7 . . 1 . . . . . . . . 1580 1
70 . 1 1 50 50 LEU HB2 H 1 1.96 . . 2 . . . . . . . . 1580 1
71 . 1 1 50 50 LEU HB3 H 1 1.39 . . 2 . . . . . . . . 1580 1
72 . 1 1 50 50 LEU CD1 C 13 25.4 . . 2 . . . . . . . . 1580 1
73 . 1 1 50 50 LEU CD2 C 13 24.7 . . 2 . . . . . . . . 1580 1
74 . 1 1 50 50 LEU HD11 H 1 1.17 . . 2 . . . . . . . . 1580 1
75 . 1 1 50 50 LEU HD12 H 1 1.17 . . 2 . . . . . . . . 1580 1
76 . 1 1 50 50 LEU HD13 H 1 1.17 . . 2 . . . . . . . . 1580 1
77 . 1 1 50 50 LEU HD21 H 1 1.04 . . 2 . . . . . . . . 1580 1
78 . 1 1 50 50 LEU HD22 H 1 1.04 . . 2 . . . . . . . . 1580 1
79 . 1 1 50 50 LEU HD23 H 1 1.04 . . 2 . . . . . . . . 1580 1
80 . 1 1 51 51 ILE H H 1 9.05 . . 1 . . . . . . . . 1580 1
81 . 1 1 51 51 ILE CA C 13 58.2 . . 1 . . . . . . . . 1580 1
82 . 1 1 51 51 ILE HA H 1 5 . . 1 . . . . . . . . 1580 1
83 . 1 1 51 51 ILE CB C 13 39.3 . . 1 . . . . . . . . 1580 1
84 . 1 1 51 51 ILE CG1 C 13 25.5 . . 1 . . . . . . . . 1580 1
85 . 1 1 51 51 ILE CG2 C 13 17.1 . . 1 . . . . . . . . 1580 1
86 . 1 1 51 51 ILE HB H 1 1.52 . . 1 . . . . . . . . 1580 1
87 . 1 1 51 51 ILE CD1 C 13 13.8 . . 1 . . . . . . . . 1580 1
88 . 1 1 51 51 ILE HG12 H 1 1.63 . . 2 . . . . . . . . 1580 1
89 . 1 1 51 51 ILE HG13 H 1 1.03 . . 2 . . . . . . . . 1580 1
90 . 1 1 51 51 ILE HD11 H 1 .74 . . 1 . . . . . . . . 1580 1
91 . 1 1 51 51 ILE HD12 H 1 .74 . . 1 . . . . . . . . 1580 1
92 . 1 1 51 51 ILE HD13 H 1 .74 . . 1 . . . . . . . . 1580 1
93 . 1 1 52 52 ILE H H 1 9.65 . . 1 . . . . . . . . 1580 1
94 . 1 1 52 52 ILE CA C 13 55.7 . . 1 . . . . . . . . 1580 1
95 . 1 1 52 52 ILE HA H 1 5.01 . . 1 . . . . . . . . 1580 1
96 . 1 1 52 52 ILE CB C 13 35.3 . . 1 . . . . . . . . 1580 1
97 . 1 1 52 52 ILE CG1 C 13 24.6 . . 1 . . . . . . . . 1580 1
98 . 1 1 52 52 ILE CG2 C 13 15.8 . . 1 . . . . . . . . 1580 1
99 . 1 1 52 52 ILE HB H 1 1.9 . . 1 . . . . . . . . 1580 1
100 . 1 1 52 52 ILE CD1 C 13 8.3 . . 1 . . . . . . . . 1580 1
101 . 1 1 52 52 ILE HG12 H 1 1.31 . . 2 . . . . . . . . 1580 1
102 . 1 1 52 52 ILE HG13 H 1 .94 . . 2 . . . . . . . . 1580 1
103 . 1 1 52 52 ILE HD11 H 1 .84 . . 1 . . . . . . . . 1580 1
104 . 1 1 52 52 ILE HD12 H 1 .84 . . 1 . . . . . . . . 1580 1
105 . 1 1 52 52 ILE HD13 H 1 .84 . . 1 . . . . . . . . 1580 1
106 . 1 1 53 53 GLY H H 1 9.33 . . 1 . . . . . . . . 1580 1
107 . 1 1 53 53 GLY CA C 13 41.6 . . 1 . . . . . . . . 1580 1
108 . 1 1 53 53 GLY HA2 H 1 4.62 . . 2 . . . . . . . . 1580 1
109 . 1 1 53 53 GLY HA3 H 1 3.59 . . 2 . . . . . . . . 1580 1
110 . 1 1 54 54 CYS H H 1 8.16 . . 1 . . . . . . . . 1580 1
111 . 1 1 54 54 CYS CA C 13 55 . . 1 . . . . . . . . 1580 1
112 . 1 1 54 54 CYS HA H 1 5.35 . . 1 . . . . . . . . 1580 1
113 . 1 1 55 55 PRO CA C 13 60.5 . . 1 . . . . . . . . 1580 1
114 . 1 1 55 55 PRO HA H 1 5.5 . . 1 . . . . . . . . 1580 1
115 . 1 1 56 56 THR H H 1 6.69 . . 1 . . . . . . . . 1580 1
116 . 1 1 56 56 THR CA C 13 59.9 . . 1 . . . . . . . . 1580 1
117 . 1 1 56 56 THR HA H 1 4.63 . . 1 . . . . . . . . 1580 1
118 . 1 1 56 56 THR CB C 13 67 . . 1 . . . . . . . . 1580 1
119 . 1 1 56 56 THR CG2 C 13 20.4 . . 1 . . . . . . . . 1580 1
120 . 1 1 56 56 THR HB H 1 3.64 . . 1 . . . . . . . . 1580 1
121 . 1 1 56 56 THR HG21 H 1 1.3 . . 1 . . . . . . . . 1580 1
122 . 1 1 56 56 THR HG22 H 1 1.3 . . 1 . . . . . . . . 1580 1
123 . 1 1 56 56 THR HG23 H 1 1.3 . . 1 . . . . . . . . 1580 1
124 . 1 1 57 57 TRP H H 1 8.64 . . 1 . . . . . . . . 1580 1
125 . 1 1 57 57 TRP CA C 13 54.2 . . 1 . . . . . . . . 1580 1
126 . 1 1 57 57 TRP HA H 1 2.94 . . 1 . . . . . . . . 1580 1
127 . 1 1 57 57 TRP CB C 13 32 . . 1 . . . . . . . . 1580 1
128 . 1 1 57 57 TRP CG C 13 112 . . 1 . . . . . . . . 1580 1
129 . 1 1 57 57 TRP CD1 C 13 119.5 . . 1 . . . . . . . . 1580 1
130 . 1 1 57 57 TRP CD2 C 13 126.2 . . 1 . . . . . . . . 1580 1
131 . 1 1 57 57 TRP NE1 N 15 131.6 . . 1 . . . . . . . . 1580 1
132 . 1 1 57 57 TRP HD1 H 1 6.4 . . 1 . . . . . . . . 1580 1
133 . 1 1 57 57 TRP CE2 C 13 137.3 . . 1 . . . . . . . . 1580 1
134 . 1 1 57 57 TRP HE1 H 1 11.05 . . 1 . . . . . . . . 1580 1
135 . 1 1 57 57 TRP CE3 C 13 116.5 . . 1 . . . . . . . . 1580 1
136 . 1 1 57 57 TRP CZ2 C 13 114 . . 1 . . . . . . . . 1580 1
137 . 1 1 57 57 TRP CZ3 C 13 120.4 . . 1 . . . . . . . . 1580 1
138 . 1 1 57 57 TRP HE3 H 1 6.97 . . 1 . . . . . . . . 1580 1
139 . 1 1 57 57 TRP CH2 C 13 122.8 . . 1 . . . . . . . . 1580 1
140 . 1 1 57 57 TRP HZ2 H 1 8.13 . . 1 . . . . . . . . 1580 1
141 . 1 1 57 57 TRP HZ3 H 1 7.09 . . 1 . . . . . . . . 1580 1
142 . 1 1 57 57 TRP HH2 H 1 7.35 . . 1 . . . . . . . . 1580 1
143 . 1 1 58 58 ASN H H 1 6.41 . . 1 . . . . . . . . 1580 1
144 . 1 1 59 59 ILE H H 1 8.17 . . 1 . . . . . . . . 1580 1
145 . 1 1 59 59 ILE CA C 13 57.2 . . 1 . . . . . . . . 1580 1
146 . 1 1 59 59 ILE HA H 1 3.93 . . 1 . . . . . . . . 1580 1
147 . 1 1 59 59 ILE CB C 13 32.2 . . 1 . . . . . . . . 1580 1
148 . 1 1 59 59 ILE CG1 C 13 26.3 . . 1 . . . . . . . . 1580 1
149 . 1 1 59 59 ILE CG2 C 13 18 . . 1 . . . . . . . . 1580 1
150 . 1 1 59 59 ILE HB H 1 2.73 . . 1 . . . . . . . . 1580 1
151 . 1 1 59 59 ILE CD1 C 13 11.9 . . 1 . . . . . . . . 1580 1
152 . 1 1 59 59 ILE HG12 H 1 1.28 . . 1 . . . . . . . . 1580 1
153 . 1 1 59 59 ILE HG13 H 1 1.28 . . 1 . . . . . . . . 1580 1
154 . 1 1 59 59 ILE HG21 H 1 1 . . 1 . . . . . . . . 1580 1
155 . 1 1 59 59 ILE HG22 H 1 1 . . 1 . . . . . . . . 1580 1
156 . 1 1 59 59 ILE HG23 H 1 1 . . 1 . . . . . . . . 1580 1
157 . 1 1 59 59 ILE HD11 H 1 .96 . . 1 . . . . . . . . 1580 1
158 . 1 1 59 59 ILE HD12 H 1 .96 . . 1 . . . . . . . . 1580 1
159 . 1 1 59 59 ILE HD13 H 1 .96 . . 1 . . . . . . . . 1580 1
160 . 1 1 81 81 LYS H H 1 7.53 . . 1 . . . . . . . . 1580 1
161 . 1 1 81 81 LYS HA H 1 4.9 . . 1 . . . . . . . . 1580 1
162 . 1 1 82 82 LEU H H 1 8.05 . . 1 . . . . . . . . 1580 1
163 . 1 1 82 82 LEU CA C 13 52.5 . . 1 . . . . . . . . 1580 1
164 . 1 1 82 82 LEU HA H 1 5.5 . . 1 . . . . . . . . 1580 1
165 . 1 1 82 82 LEU CB C 13 42.4 . . 1 . . . . . . . . 1580 1
166 . 1 1 82 82 LEU HB2 H 1 2.21 . . 2 . . . . . . . . 1580 1
167 . 1 1 82 82 LEU HB3 H 1 1.8 . . 2 . . . . . . . . 1580 1
168 . 1 1 83 83 VAL H H 1 8.99 . . 1 . . . . . . . . 1580 1
169 . 1 1 83 83 VAL CA C 13 59 . . 1 . . . . . . . . 1580 1
170 . 1 1 83 83 VAL HA H 1 5.06 . . 1 . . . . . . . . 1580 1
171 . 1 1 83 83 VAL CB C 13 32.4 . . 1 . . . . . . . . 1580 1
172 . 1 1 83 83 VAL CG1 C 13 20.1 . . 2 . . . . . . . . 1580 1
173 . 1 1 83 83 VAL CG2 C 13 18.5 . . 2 . . . . . . . . 1580 1
174 . 1 1 83 83 VAL HB H 1 1.94 . . 1 . . . . . . . . 1580 1
175 . 1 1 83 83 VAL HG11 H 1 .75 . . 2 . . . . . . . . 1580 1
176 . 1 1 83 83 VAL HG12 H 1 .75 . . 2 . . . . . . . . 1580 1
177 . 1 1 83 83 VAL HG13 H 1 .75 . . 2 . . . . . . . . 1580 1
178 . 1 1 83 83 VAL HG21 H 1 .58 . . 2 . . . . . . . . 1580 1
179 . 1 1 83 83 VAL HG22 H 1 .58 . . 2 . . . . . . . . 1580 1
180 . 1 1 83 83 VAL HG23 H 1 .58 . . 2 . . . . . . . . 1580 1
181 . 1 1 84 84 ALA H H 1 8.84 . . 1 . . . . . . . . 1580 1
182 . 1 1 84 84 ALA CA C 13 47.2 . . 1 . . . . . . . . 1580 1
183 . 1 1 84 84 ALA HA H 1 5.6 . . 1 . . . . . . . . 1580 1
184 . 1 1 84 84 ALA CB C 13 23.4 . . 1 . . . . . . . . 1580 1
185 . 1 1 84 84 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 1580 1
186 . 1 1 84 84 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 1580 1
187 . 1 1 84 84 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 1580 1
188 . 1 1 85 85 TYR H H 1 10.89 . . 1 . . . . . . . . 1580 1
189 . 1 1 85 85 TYR CA C 13 55.2 . . 1 . . . . . . . . 1580 1
190 . 1 1 85 85 TYR HA H 1 5.69 . . 1 . . . . . . . . 1580 1
191 . 1 1 85 85 TYR CB C 13 41.2 . . 1 . . . . . . . . 1580 1
192 . 1 1 85 85 TYR HB2 H 1 2.49 . . 1 . . . . . . . . 1580 1
193 . 1 1 85 85 TYR HB3 H 1 2.49 . . 1 . . . . . . . . 1580 1
194 . 1 1 86 86 PHE H H 1 9.37 . . 1 . . . . . . . . 1580 1
195 . 1 1 86 86 PHE CA C 13 56.2 . . 1 . . . . . . . . 1580 1
196 . 1 1 86 86 PHE HA H 1 5.08 . . 1 . . . . . . . . 1580 1
197 . 1 1 86 86 PHE CB C 13 40.4 . . 1 . . . . . . . . 1580 1
198 . 1 1 86 86 PHE HB2 H 1 3.46 . . 2 . . . . . . . . 1580 1
199 . 1 1 86 86 PHE HB3 H 1 2.85 . . 2 . . . . . . . . 1580 1
200 . 1 1 87 87 GLY H H 1 8.09 . . 1 . . . . . . . . 1580 1
201 . 1 1 87 87 GLY CA C 13 42.9 . . 1 . . . . . . . . 1580 1
202 . 1 1 87 87 GLY HA2 H 1 4.16 . . 2 . . . . . . . . 1580 1
203 . 1 1 87 87 GLY HA3 H 1 3.74 . . 2 . . . . . . . . 1580 1
204 . 1 1 88 88 THR H H 1 6.33 . . 1 . . . . . . . . 1580 1
205 . 1 1 88 88 THR CA C 13 57 . . 1 . . . . . . . . 1580 1
206 . 1 1 88 88 THR HA H 1 5.28 . . 1 . . . . . . . . 1580 1
207 . 1 1 88 88 THR CB C 13 67.4 . . 1 . . . . . . . . 1580 1
208 . 1 1 88 88 THR CG2 C 13 21.1 . . 1 . . . . . . . . 1580 1
209 . 1 1 88 88 THR HB H 1 4.47 . . 1 . . . . . . . . 1580 1
210 . 1 1 88 88 THR HG21 H 1 1.17 . . 1 . . . . . . . . 1580 1
211 . 1 1 88 88 THR HG22 H 1 1.17 . . 1 . . . . . . . . 1580 1
212 . 1 1 88 88 THR HG23 H 1 1.17 . . 1 . . . . . . . . 1580 1
213 . 1 1 89 89 GLY H H 1 7.85 . . 1 . . . . . . . . 1580 1
214 . 1 1 92 92 ILE H H 1 7.27 . . 1 . . . . . . . . 1580 1
215 . 1 1 92 92 ILE CA C 13 59.3 . . 1 . . . . . . . . 1580 1
216 . 1 1 92 92 ILE HA H 1 3.99 . . 1 . . . . . . . . 1580 1
217 . 1 1 92 92 ILE CB C 13 35.3 . . 1 . . . . . . . . 1580 1
218 . 1 1 92 92 ILE CG1 C 13 25.3 . . 1 . . . . . . . . 1580 1
219 . 1 1 92 92 ILE CG2 C 13 14.6 . . 1 . . . . . . . . 1580 1
220 . 1 1 92 92 ILE HB H 1 1.85 . . 1 . . . . . . . . 1580 1
221 . 1 1 92 92 ILE CD1 C 13 8.1 . . 1 . . . . . . . . 1580 1
222 . 1 1 92 92 ILE HG12 H 1 1.41 . . 2 . . . . . . . . 1580 1
223 . 1 1 92 92 ILE HG13 H 1 1.29 . . 2 . . . . . . . . 1580 1
224 . 1 1 92 92 ILE HG21 H 1 .85 . . 1 . . . . . . . . 1580 1
225 . 1 1 92 92 ILE HG22 H 1 .85 . . 1 . . . . . . . . 1580 1
226 . 1 1 92 92 ILE HG23 H 1 .85 . . 1 . . . . . . . . 1580 1
227 . 1 1 92 92 ILE HD11 H 1 .78 . . 1 . . . . . . . . 1580 1
228 . 1 1 92 92 ILE HD12 H 1 .78 . . 1 . . . . . . . . 1580 1
229 . 1 1 92 92 ILE HD13 H 1 .78 . . 1 . . . . . . . . 1580 1
230 . 1 1 93 93 GLY H H 1 9.11 . . 1 . . . . . . . . 1580 1
231 . 1 1 93 93 GLY CA C 13 43.8 . . 1 . . . . . . . . 1580 1
232 . 1 1 93 93 GLY HA2 H 1 3.48 . . 2 . . . . . . . . 1580 1
233 . 1 1 93 93 GLY HA3 H 1 3.06 . . 2 . . . . . . . . 1580 1
234 . 1 1 94 94 TYR H H 1 6.89 . . 1 . . . . . . . . 1580 1
235 . 1 1 94 94 TYR CA C 13 54.5 . . 1 . . . . . . . . 1580 1
236 . 1 1 94 94 TYR HA H 1 4.62 . . 1 . . . . . . . . 1580 1
237 . 1 1 94 94 TYR CB C 13 34.7 . . 1 . . . . . . . . 1580 1
238 . 1 1 94 94 TYR CG C 13 129.2 . . 1 . . . . . . . . 1580 1
239 . 1 1 94 94 TYR HB2 H 1 2.72 . . 2 . . . . . . . . 1580 1
240 . 1 1 94 94 TYR HB3 H 1 2.55 . . 2 . . . . . . . . 1580 1
241 . 1 1 94 94 TYR CD1 C 13 130.6 . . 1 . . . . . . . . 1580 1
242 . 1 1 94 94 TYR CD2 C 13 131 . . 1 . . . . . . . . 1580 1
243 . 1 1 94 94 TYR CE1 C 13 112.7 . . 1 . . . . . . . . 1580 1
244 . 1 1 94 94 TYR HD1 H 1 6.41 . . 1 . . . . . . . . 1580 1
245 . 1 1 94 94 TYR CE2 C 13 116.1 . . 1 . . . . . . . . 1580 1
246 . 1 1 94 94 TYR HD2 H 1 6.83 . . 1 . . . . . . . . 1580 1
247 . 1 1 94 94 TYR CZ C 13 155 . . 1 . . . . . . . . 1580 1
248 . 1 1 94 94 TYR HE1 H 1 5.55 . . 1 . . . . . . . . 1580 1
249 . 1 1 94 94 TYR HE2 H 1 6.48 . . 1 . . . . . . . . 1580 1
250 . 1 1 95 95 ALA H H 1 7.42 . . 1 . . . . . . . . 1580 1
251 . 1 1 95 95 ALA CA C 13 53.1 . . 1 . . . . . . . . 1580 1
252 . 1 1 95 95 ALA HA H 1 4.29 . . 1 . . . . . . . . 1580 1
253 . 1 1 95 95 ALA CB C 13 18.3 . . 1 . . . . . . . . 1580 1
254 . 1 1 95 95 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 1580 1
255 . 1 1 95 95 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 1580 1
256 . 1 1 95 95 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 1580 1
257 . 1 1 96 96 ASP H H 1 8.45 . . 1 . . . . . . . . 1580 1
258 . 1 1 97 97 ASN H H 1 7.9 . . 1 . . . . . . . . 1580 1
259 . 1 1 97 97 ASN CA C 13 51.6 . . 1 . . . . . . . . 1580 1
260 . 1 1 97 97 ASN HA H 1 5.47 . . 1 . . . . . . . . 1580 1
261 . 1 1 98 98 PHE H H 1 7.74 . . 1 . . . . . . . . 1580 1
262 . 1 1 98 98 PHE CA C 13 54.6 . . 1 . . . . . . . . 1580 1
263 . 1 1 98 98 PHE HA H 1 5.34 . . 1 . . . . . . . . 1580 1
264 . 1 1 99 99 GLN H H 1 7.46 . . 1 . . . . . . . . 1580 1
265 . 1 1 115 115 LYS H H 1 6.83 . . 1 . . . . . . . . 1580 1
266 . 1 1 115 115 LYS HA H 1 3.79 . . 1 . . . . . . . . 1580 1
267 . 1 1 116 116 THR H H 1 8.63 . . 1 . . . . . . . . 1580 1
268 . 1 1 116 116 THR CA C 13 61.2 . . 1 . . . . . . . . 1580 1
269 . 1 1 116 116 THR HA H 1 5.36 . . 1 . . . . . . . . 1580 1
270 . 1 1 116 116 THR CB C 13 67 . . 1 . . . . . . . . 1580 1
271 . 1 1 116 116 THR CG2 C 13 22.1 . . 1 . . . . . . . . 1580 1
272 . 1 1 116 116 THR HB H 1 4.23 . . 1 . . . . . . . . 1580 1
273 . 1 1 116 116 THR HG21 H 1 1.01 . . 1 . . . . . . . . 1580 1
274 . 1 1 116 116 THR HG22 H 1 1.01 . . 1 . . . . . . . . 1580 1
275 . 1 1 116 116 THR HG23 H 1 1.01 . . 1 . . . . . . . . 1580 1
276 . 1 1 117 117 VAL H H 1 8.93 . . 1 . . . . . . . . 1580 1
277 . 1 1 117 117 VAL CA C 13 57.1 . . 1 . . . . . . . . 1580 1
278 . 1 1 117 117 VAL HA H 1 4.63 . . 1 . . . . . . . . 1580 1
279 . 1 1 117 117 VAL CB C 13 32.3 . . 1 . . . . . . . . 1580 1
280 . 1 1 117 117 VAL CG1 C 13 20.7 . . 2 . . . . . . . . 1580 1
281 . 1 1 117 117 VAL CG2 C 13 17.3 . . 2 . . . . . . . . 1580 1
282 . 1 1 117 117 VAL HB H 1 2.24 . . 1 . . . . . . . . 1580 1
283 . 1 1 117 117 VAL HG11 H 1 1.03 . . 2 . . . . . . . . 1580 1
284 . 1 1 117 117 VAL HG12 H 1 1.03 . . 2 . . . . . . . . 1580 1
285 . 1 1 117 117 VAL HG13 H 1 1.03 . . 2 . . . . . . . . 1580 1
286 . 1 1 117 117 VAL HG21 H 1 .47 . . 2 . . . . . . . . 1580 1
287 . 1 1 117 117 VAL HG22 H 1 .47 . . 2 . . . . . . . . 1580 1
288 . 1 1 117 117 VAL HG23 H 1 .47 . . 2 . . . . . . . . 1580 1
289 . 1 1 140 140 GLY HA2 H 1 4.59 . . 1 . . . . . . . . 1580 1
290 . 1 1 140 140 GLY HA3 H 1 4.59 . . 1 . . . . . . . . 1580 1
291 . 1 1 141 141 LEU H H 1 6.94 . . 1 . . . . . . . . 1580 1
292 . 1 1 141 141 LEU CA C 13 53.1 . . 1 . . . . . . . . 1580 1
293 . 1 1 141 141 LEU HA H 1 2.61 . . 1 . . . . . . . . 1580 1
294 . 1 1 141 141 LEU CB C 13 36.3 . . 1 . . . . . . . . 1580 1
295 . 1 1 141 141 LEU CG C 13 23.7 . . 1 . . . . . . . . 1580 1
296 . 1 1 141 141 LEU HB2 H 1 .16 . . 2 . . . . . . . . 1580 1
297 . 1 1 141 141 LEU HB3 H 1 1.8 . . 2 . . . . . . . . 1580 1
298 . 1 1 141 141 LEU CD1 C 13 24.1 . . 2 . . . . . . . . 1580 1
299 . 1 1 141 141 LEU CD2 C 13 18.5 . . 2 . . . . . . . . 1580 1
300 . 1 1 141 141 LEU HG H 1 .41 . . 1 . . . . . . . . 1580 1
301 . 1 1 141 141 LEU HD11 H 1 .02 . . 2 . . . . . . . . 1580 1
302 . 1 1 141 141 LEU HD12 H 1 .02 . . 2 . . . . . . . . 1580 1
303 . 1 1 141 141 LEU HD13 H 1 .02 . . 2 . . . . . . . . 1580 1
304 . 1 1 141 141 LEU HD21 H 1 .97 . . 2 . . . . . . . . 1580 1
305 . 1 1 141 141 LEU HD22 H 1 .97 . . 2 . . . . . . . . 1580 1
306 . 1 1 141 141 LEU HD23 H 1 .97 . . 2 . . . . . . . . 1580 1
307 . 1 1 142 142 ALA H H 1 5.29 . . 1 . . . . . . . . 1580 1
308 . 1 1 142 142 ALA CA C 13 47.3 . . 1 . . . . . . . . 1580 1
309 . 1 1 142 142 ALA HA H 1 3.95 . . 1 . . . . . . . . 1580 1
310 . 1 1 142 142 ALA CB C 13 17.2 . . 1 . . . . . . . . 1580 1
311 . 1 1 142 142 ALA HB1 H 1 .14 . . 1 . . . . . . . . 1580 1
312 . 1 1 142 142 ALA HB2 H 1 .14 . . 1 . . . . . . . . 1580 1
313 . 1 1 142 142 ALA HB3 H 1 .14 . . 1 . . . . . . . . 1580 1
314 . 1 1 143 143 LEU H H 1 8.44 . . 1 . . . . . . . . 1580 1
315 . 1 1 143 143 LEU HA H 1 4.83 . . 1 . . . . . . . . 1580 1
316 . 1 1 144 144 ASP H H 1 8.64 . . 1 . . . . . . . . 1580 1
317 . 1 1 144 144 ASP CA C 13 51.6 . . 1 . . . . . . . . 1580 1
318 . 1 1 144 144 ASP HA H 1 5.61 . . 1 . . . . . . . . 1580 1
319 . 1 1 144 144 ASP CB C 13 41.2 . . 1 . . . . . . . . 1580 1
320 . 1 1 144 144 ASP HB2 H 1 2.96 . . 1 . . . . . . . . 1580 1
321 . 1 1 144 144 ASP HB3 H 1 2.96 . . 1 . . . . . . . . 1580 1
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