###################################
# 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 4165
_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 . 4165 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 GLU HA H 1 4.43 . . 1 . . . . . . . . 4165 1
2 . 1 1 3 3 GLU HB2 H 1 1.95 . . 2 . . . . . . . . 4165 1
3 . 1 1 3 3 GLU HB3 H 1 2.11 . . 2 . . . . . . . . 4165 1
4 . 1 1 3 3 GLU HG2 H 1 2.30 . . 2 . . . . . . . . 4165 1
5 . 1 1 3 3 GLU HG3 H 1 2.34 . . 2 . . . . . . . . 4165 1
6 . 1 1 3 3 GLU CA C 13 56.35 . . 1 . . . . . . . . 4165 1
7 . 1 1 3 3 GLU CB C 13 30.53 . . 1 . . . . . . . . 4165 1
8 . 1 1 3 3 GLU CG C 13 36.23 . . 1 . . . . . . . . 4165 1
9 . 1 1 4 4 LYS N N 15 122.21 . . 1 . . . . . . . . 4165 1
10 . 1 1 4 4 LYS H H 1 8.48 . . 1 . . . . . . . . 4165 1
11 . 1 1 4 4 LYS HA H 1 4.39 . . 1 . . . . . . . . 4165 1
12 . 1 1 4 4 LYS HB2 H 1 1.72 . . 2 . . . . . . . . 4165 1
13 . 1 1 4 4 LYS HB3 H 1 1.81 . . 2 . . . . . . . . 4165 1
14 . 1 1 4 4 LYS HD2 H 1 1.73 . . 2 . . . . . . . . 4165 1
15 . 1 1 4 4 LYS HE2 H 1 3.02 . . 2 . . . . . . . . 4165 1
16 . 1 1 4 4 LYS HG2 H 1 1.50 . . 2 . . . . . . . . 4165 1
17 . 1 1 4 4 LYS CA C 13 55.99 . . 1 . . . . . . . . 4165 1
18 . 1 1 4 4 LYS CB C 13 33.43 . . 1 . . . . . . . . 4165 1
19 . 1 1 4 4 LYS CD C 13 29.08 . . 1 . . . . . . . . 4165 1
20 . 1 1 4 4 LYS CE C 13 42.17 . . 1 . . . . . . . . 4165 1
21 . 1 1 4 4 LYS CG C 13 25.17 . . 1 . . . . . . . . 4165 1
22 . 1 1 5 5 ARG N N 15 124.06 . . 1 . . . . . . . . 4165 1
23 . 1 1 5 5 ARG NE N 15 107.81 . . 1 . . . . . . . . 4165 1
24 . 1 1 5 5 ARG H H 1 8.90 . . 1 . . . . . . . . 4165 1
25 . 1 1 5 5 ARG HA H 1 4.44 . . 1 . . . . . . . . 4165 1
26 . 1 1 5 5 ARG HB2 H 1 1.81 . . 2 . . . . . . . . 4165 1
27 . 1 1 5 5 ARG HD2 H 1 3.40 . . 2 . . . . . . . . 4165 1
28 . 1 1 5 5 ARG HD3 H 1 3.54 . . 2 . . . . . . . . 4165 1
29 . 1 1 5 5 ARG HE H 1 6.71 . . 1 . . . . . . . . 4165 1
30 . 1 1 5 5 ARG CA C 13 56.45 . . 1 . . . . . . . . 4165 1
31 . 1 1 6 6 ARG N N 15 119.46 . . 1 . . . . . . . . 4165 1
32 . 1 1 6 6 ARG H H 1 8.35 . . 1 . . . . . . . . 4165 1
33 . 1 1 6 6 ARG HA H 1 5.52 . . 1 . . . . . . . . 4165 1
34 . 1 1 6 6 ARG HB2 H 1 1.62 . . 2 . . . . . . . . 4165 1
35 . 1 1 6 6 ARG HB3 H 1 1.58 . . 2 . . . . . . . . 4165 1
36 . 1 1 6 6 ARG HD2 H 1 3.03 . . 2 . . . . . . . . 4165 1
37 . 1 1 6 6 ARG HG2 H 1 1.30 . . 2 . . . . . . . . 4165 1
38 . 1 1 6 6 ARG HG3 H 1 1.50 . . 2 . . . . . . . . 4165 1
39 . 1 1 6 6 ARG CA C 13 53.54 . . 1 . . . . . . . . 4165 1
40 . 1 1 6 6 ARG CB C 13 34.93 . . 1 . . . . . . . . 4165 1
41 . 1 1 6 6 ARG CD C 13 43.40 . . 1 . . . . . . . . 4165 1
42 . 1 1 6 6 ARG CG C 13 28.43 . . 1 . . . . . . . . 4165 1
43 . 1 1 7 7 ASP N N 15 120.80 . . 1 . . . . . . . . 4165 1
44 . 1 1 7 7 ASP H H 1 9.01 . . 1 . . . . . . . . 4165 1
45 . 1 1 7 7 ASP HA H 1 4.72 . . 1 . . . . . . . . 4165 1
46 . 1 1 7 7 ASP HB2 H 1 2.82 . . 2 . . . . . . . . 4165 1
47 . 1 1 7 7 ASP HB3 H 1 3.55 . . 2 . . . . . . . . 4165 1
48 . 1 1 7 7 ASP CA C 13 52.26 . . 1 . . . . . . . . 4165 1
49 . 1 1 7 7 ASP CB C 13 41.98 . . 1 . . . . . . . . 4165 1
50 . 1 1 8 8 ASN N N 15 117.21 . . 1 . . . . . . . . 4165 1
51 . 1 1 8 8 ASN ND2 N 15 111.31 . . 1 . . . . . . . . 4165 1
52 . 1 1 8 8 ASN H H 1 9.14 . . 1 . . . . . . . . 4165 1
53 . 1 1 8 8 ASN HA H 1 4.50 . . 1 . . . . . . . . 4165 1
54 . 1 1 8 8 ASN HB2 H 1 2.83 . . 1 . . . . . . . . 4165 1
55 . 1 1 8 8 ASN HB3 H 1 3.23 . . 1 . . . . . . . . 4165 1
56 . 1 1 8 8 ASN HD21 H 1 7.60 . . 2 . . . . . . . . 4165 1
57 . 1 1 8 8 ASN HD22 H 1 6.96 . . 2 . . . . . . . . 4165 1
58 . 1 1 8 8 ASN CA C 13 54.73 . . 1 . . . . . . . . 4165 1
59 . 1 1 8 8 ASN CB C 13 36.77 . . 1 . . . . . . . . 4165 1
60 . 1 1 9 9 ARG N N 15 119.41 . . 1 . . . . . . . . 4165 1
61 . 1 1 9 9 ARG H H 1 8.02 . . 1 . . . . . . . . 4165 1
62 . 1 1 9 9 ARG HA H 1 4.55 . . 1 . . . . . . . . 4165 1
63 . 1 1 9 9 ARG HB2 H 1 2.25 . . 1 . . . . . . . . 4165 1
64 . 1 1 9 9 ARG HB3 H 1 1.79 . . 1 . . . . . . . . 4165 1
65 . 1 1 9 9 ARG HD2 H 1 3.16 . . 2 . . . . . . . . 4165 1
66 . 1 1 9 9 ARG HD3 H 1 3.21 . . 2 . . . . . . . . 4165 1
67 . 1 1 9 9 ARG HG2 H 1 1.74 . . 2 . . . . . . . . 4165 1
68 . 1 1 9 9 ARG HG3 H 1 1.78 . . 2 . . . . . . . . 4165 1
69 . 1 1 9 9 ARG CA C 13 55.33 . . 1 . . . . . . . . 4165 1
70 . 1 1 9 9 ARG CB C 13 31.81 . . 1 . . . . . . . . 4165 1
71 . 1 1 9 9 ARG CD C 13 44.41 . . 1 . . . . . . . . 4165 1
72 . 1 1 9 9 ARG CG C 13 26.95 . . 1 . . . . . . . . 4165 1
73 . 1 1 10 10 GLY N N 15 109.01 . . 1 . . . . . . . . 4165 1
74 . 1 1 10 10 GLY H H 1 8.11 . . 1 . . . . . . . . 4165 1
75 . 1 1 10 10 GLY HA2 H 1 4.28 . . 2 . . . . . . . . 4165 1
76 . 1 1 10 10 GLY HA3 H 1 3.67 . . 2 . . . . . . . . 4165 1
77 . 1 1 10 10 GLY CA C 13 46.01 . . 1 . . . . . . . . 4165 1
78 . 1 1 11 11 ARG N N 15 123.44 . . 1 . . . . . . . . 4165 1
79 . 1 1 11 11 ARG NE N 15 107.58 . . 1 . . . . . . . . 4165 1
80 . 1 1 11 11 ARG H H 1 9.12 . . 1 . . . . . . . . 4165 1
81 . 1 1 11 11 ARG HA H 1 4.41 . . 1 . . . . . . . . 4165 1
82 . 1 1 11 11 ARG HB2 H 1 1.60 . . 2 . . . . . . . . 4165 1
83 . 1 1 11 11 ARG HB3 H 1 1.87 . . 2 . . . . . . . . 4165 1
84 . 1 1 11 11 ARG HD2 H 1 3.21 . . 2 . . . . . . . . 4165 1
85 . 1 1 11 11 ARG HE H 1 8.60 . . 1 . . . . . . . . 4165 1
86 . 1 1 11 11 ARG CA C 13 56.99 . . 1 . . . . . . . . 4165 1
87 . 1 1 11 11 ARG CB C 13 29.38 . . 1 . . . . . . . . 4165 1
88 . 1 1 12 12 ILE N N 15 121.35 . . 1 . . . . . . . . 4165 1
89 . 1 1 12 12 ILE H H 1 8.39 . . 1 . . . . . . . . 4165 1
90 . 1 1 12 12 ILE HA H 1 4.14 . . 1 . . . . . . . . 4165 1
91 . 1 1 12 12 ILE HB H 1 1.73 . . 1 . . . . . . . . 4165 1
92 . 1 1 12 12 ILE HD11 H 1 0.87 . . 1 . . . . . . . . 4165 1
93 . 1 1 12 12 ILE HD12 H 1 0.87 . . 1 . . . . . . . . 4165 1
94 . 1 1 12 12 ILE HD13 H 1 0.87 . . 1 . . . . . . . . 4165 1
95 . 1 1 12 12 ILE HG12 H 1 1.13 . . 2 . . . . . . . . 4165 1
96 . 1 1 12 12 ILE HG13 H 1 1.68 . . 2 . . . . . . . . 4165 1
97 . 1 1 12 12 ILE HG21 H 1 0.88 . . 1 . . . . . . . . 4165 1
98 . 1 1 12 12 ILE HG22 H 1 0.88 . . 1 . . . . . . . . 4165 1
99 . 1 1 12 12 ILE HG23 H 1 0.88 . . 1 . . . . . . . . 4165 1
100 . 1 1 12 12 ILE CA C 13 61.86 . . 1 . . . . . . . . 4165 1
101 . 1 1 12 12 ILE CB C 13 38.55 . . 1 . . . . . . . . 4165 1
102 . 1 1 12 12 ILE CD1 C 13 12.70 . . 1 . . . . . . . . 4165 1
103 . 1 1 12 12 ILE CG1 C 13 28.68 . . 1 . . . . . . . . 4165 1
104 . 1 1 12 12 ILE CG2 C 13 17.85 . . 1 . . . . . . . . 4165 1
105 . 1 1 13 13 LEU N N 15 128.22 . . 1 . . . . . . . . 4165 1
106 . 1 1 13 13 LEU H H 1 8.28 . . 1 . . . . . . . . 4165 1
107 . 1 1 13 13 LEU HA H 1 4.51 . . 1 . . . . . . . . 4165 1
108 . 1 1 13 13 LEU HB2 H 1 1.47 . . 2 . . . . . . . . 4165 1
109 . 1 1 13 13 LEU HB3 H 1 1.52 . . 2 . . . . . . . . 4165 1
110 . 1 1 13 13 LEU HD21 H 1 0.81 . . 2 . . . . . . . . 4165 1
111 . 1 1 13 13 LEU HD22 H 1 0.81 . . 2 . . . . . . . . 4165 1
112 . 1 1 13 13 LEU HD23 H 1 0.81 . . 2 . . . . . . . . 4165 1
113 . 1 1 13 13 LEU HD11 H 1 0.93 . . 2 . . . . . . . . 4165 1
114 . 1 1 13 13 LEU HD12 H 1 0.93 . . 2 . . . . . . . . 4165 1
115 . 1 1 13 13 LEU HD13 H 1 0.93 . . 2 . . . . . . . . 4165 1
116 . 1 1 13 13 LEU HG H 1 1.71 . . 1 . . . . . . . . 4165 1
117 . 1 1 13 13 LEU CA C 13 53.43 . . 1 . . . . . . . . 4165 1
118 . 1 1 13 13 LEU CB C 13 43.43 . . 1 . . . . . . . . 4165 1
119 . 1 1 13 13 LEU CD1 C 13 23.51 . . 2 . . . . . . . . 4165 1
120 . 1 1 13 13 LEU CD2 C 13 27.17 . . 2 . . . . . . . . 4165 1
121 . 1 1 13 13 LEU CG C 13 26.87 . . 1 . . . . . . . . 4165 1
122 . 1 1 14 14 LYS N N 15 123.48 . . 1 . . . . . . . . 4165 1
123 . 1 1 14 14 LYS H H 1 9.19 . . 1 . . . . . . . . 4165 1
124 . 1 1 14 14 LYS HA H 1 4.49 . . 1 . . . . . . . . 4165 1
125 . 1 1 14 14 LYS HB2 H 1 2.05 . . 2 . . . . . . . . 4165 1
126 . 1 1 14 14 LYS HB3 H 1 1.49 . . 2 . . . . . . . . 4165 1
127 . 1 1 14 14 LYS HD2 H 1 1.63 . . 2 . . . . . . . . 4165 1
128 . 1 1 14 14 LYS HE2 H 1 2.88 . . 2 . . . . . . . . 4165 1
129 . 1 1 14 14 LYS HG2 H 1 1.47 . . 2 . . . . . . . . 4165 1
130 . 1 1 14 14 LYS HG3 H 1 1.36 . . 2 . . . . . . . . 4165 1
131 . 1 1 14 14 LYS CA C 13 54.51 . . 1 . . . . . . . . 4165 1
132 . 1 1 14 14 LYS CB C 13 34.23 . . 1 . . . . . . . . 4165 1
133 . 1 1 14 14 LYS CD C 13 28.95 . . 1 . . . . . . . . 4165 1
134 . 1 1 14 14 LYS CE C 13 42.07 . . 1 . . . . . . . . 4165 1
135 . 1 1 14 14 LYS CG C 13 25.81 . . 1 . . . . . . . . 4165 1
136 . 1 1 15 15 THR N N 15 116.19 . . 1 . . . . . . . . 4165 1
137 . 1 1 15 15 THR H H 1 8.03 . . 1 . . . . . . . . 4165 1
138 . 1 1 15 15 THR HA H 1 4.22 . . 1 . . . . . . . . 4165 1
139 . 1 1 15 15 THR HB H 1 3.99 . . 1 . . . . . . . . 4165 1
140 . 1 1 15 15 THR HG21 H 1 1.40 . . 1 . . . . . . . . 4165 1
141 . 1 1 15 15 THR HG22 H 1 1.40 . . 1 . . . . . . . . 4165 1
142 . 1 1 15 15 THR HG23 H 1 1.40 . . 1 . . . . . . . . 4165 1
143 . 1 1 15 15 THR CA C 13 65.09 . . 1 . . . . . . . . 4165 1
144 . 1 1 15 15 THR CB C 13 69.32 . . 1 . . . . . . . . 4165 1
145 . 1 1 15 15 THR CG2 C 13 22.33 . . 1 . . . . . . . . 4165 1
146 . 1 1 16 16 GLY N N 15 118.37 . . 1 . . . . . . . . 4165 1
147 . 1 1 16 16 GLY H H 1 10.13 . . 1 . . . . . . . . 4165 1
148 . 1 1 16 16 GLY HA2 H 1 3.72 . . 2 . . . . . . . . 4165 1
149 . 1 1 16 16 GLY HA3 H 1 4.44 . . 2 . . . . . . . . 4165 1
150 . 1 1 16 16 GLY CA C 13 45.83 . . 1 . . . . . . . . 4165 1
151 . 1 1 17 17 GLU N N 15 120.36 . . 1 . . . . . . . . 4165 1
152 . 1 1 17 17 GLU H H 1 8.64 . . 1 . . . . . . . . 4165 1
153 . 1 1 17 17 GLU HA H 1 5.71 . . 1 . . . . . . . . 4165 1
154 . 1 1 17 17 GLU HB2 H 1 1.77 . . 2 . . . . . . . . 4165 1
155 . 1 1 17 17 GLU HB3 H 1 2.82 . . 2 . . . . . . . . 4165 1
156 . 1 1 17 17 GLU HG2 H 1 2.10 . . 2 . . . . . . . . 4165 1
157 . 1 1 17 17 GLU HG3 H 1 2.17 . . 2 . . . . . . . . 4165 1
158 . 1 1 17 17 GLU CA C 13 54.74 . . 1 . . . . . . . . 4165 1
159 . 1 1 17 17 GLU CB C 13 32.98 . . 1 . . . . . . . . 4165 1
160 . 1 1 17 17 GLU CG C 13 36.61 . . 1 . . . . . . . . 4165 1
161 . 1 1 18 18 SER N N 15 117.90 . . 1 . . . . . . . . 4165 1
162 . 1 1 18 18 SER H H 1 10.18 . . 1 . . . . . . . . 4165 1
163 . 1 1 18 18 SER HA H 1 4.64 . . 1 . . . . . . . . 4165 1
164 . 1 1 18 18 SER HB2 H 1 3.87 . . 2 . . . . . . . . 4165 1
165 . 1 1 18 18 SER HB3 H 1 3.91 . . 2 . . . . . . . . 4165 1
166 . 1 1 18 18 SER CA C 13 58.75 . . 1 . . . . . . . . 4165 1
167 . 1 1 18 18 SER CB C 13 65.23 . . 1 . . . . . . . . 4165 1
168 . 1 1 19 19 GLN N N 15 121.47 . . 1 . . . . . . . . 4165 1
169 . 1 1 19 19 GLN NE2 N 15 110.86 . . 1 . . . . . . . . 4165 1
170 . 1 1 19 19 GLN H H 1 9.42 . . 1 . . . . . . . . 4165 1
171 . 1 1 19 19 GLN HA H 1 4.91 . . 1 . . . . . . . . 4165 1
172 . 1 1 19 19 GLN HB2 H 1 1.44 . . 2 . . . . . . . . 4165 1
173 . 1 1 19 19 GLN HB3 H 1 2.18 . . 2 . . . . . . . . 4165 1
174 . 1 1 19 19 GLN HE21 H 1 6.79 . . 2 . . . . . . . . 4165 1
175 . 1 1 19 19 GLN HE22 H 1 7.08 . . 2 . . . . . . . . 4165 1
176 . 1 1 19 19 GLN HG2 H 1 1.46 . . 2 . . . . . . . . 4165 1
177 . 1 1 19 19 GLN HG3 H 1 2.33 . . 2 . . . . . . . . 4165 1
178 . 1 1 19 19 GLN CA C 13 54.88 . . 1 . . . . . . . . 4165 1
179 . 1 1 19 19 GLN CB C 13 31.30 . . 1 . . . . . . . . 4165 1
180 . 1 1 19 19 GLN CG C 13 33.37 . . 1 . . . . . . . . 4165 1
181 . 1 1 20 20 ARG N N 15 127.86 . . 1 . . . . . . . . 4165 1
182 . 1 1 20 20 ARG NE N 15 107.36 . . 1 . . . . . . . . 4165 1
183 . 1 1 20 20 ARG H H 1 9.19 . . 1 . . . . . . . . 4165 1
184 . 1 1 20 20 ARG HA H 1 4.48 . . 1 . . . . . . . . 4165 1
185 . 1 1 20 20 ARG HB2 H 1 2.03 . . 2 . . . . . . . . 4165 1
186 . 1 1 20 20 ARG HD2 H 1 3.05 . . 2 . . . . . . . . 4165 1
187 . 1 1 20 20 ARG HD3 H 1 3.53 . . 2 . . . . . . . . 4165 1
188 . 1 1 20 20 ARG HE H 1 7.93 . . 1 . . . . . . . . 4165 1
189 . 1 1 20 20 ARG CA C 13 55.24 . . 1 . . . . . . . . 4165 1
190 . 1 1 20 20 ARG CB C 13 31.62 . . 1 . . . . . . . . 4165 1
191 . 1 1 20 20 ARG CD C 13 43.39 . . 1 . . . . . . . . 4165 1
192 . 1 1 21 21 LYS N N 15 123.22 . . 1 . . . . . . . . 4165 1
193 . 1 1 21 21 LYS H H 1 9.43 . . 1 . . . . . . . . 4165 1
194 . 1 1 21 21 LYS HA H 1 4.01 . . 1 . . . . . . . . 4165 1
195 . 1 1 21 21 LYS HB2 H 1 1.85 . . 2 . . . . . . . . 4165 1
196 . 1 1 21 21 LYS HD2 H 1 1.79 . . 2 . . . . . . . . 4165 1
197 . 1 1 21 21 LYS HE2 H 1 3.05 . . 2 . . . . . . . . 4165 1
198 . 1 1 21 21 LYS HG2 H 1 1.54 . . 2 . . . . . . . . 4165 1
199 . 1 1 21 21 LYS HG3 H 1 1.73 . . 2 . . . . . . . . 4165 1
200 . 1 1 21 21 LYS CA C 13 59.44 . . 1 . . . . . . . . 4165 1
201 . 1 1 21 21 LYS CB C 13 32.27 . . 1 . . . . . . . . 4165 1
202 . 1 1 21 21 LYS CD C 13 29.33 . . 1 . . . . . . . . 4165 1
203 . 1 1 21 21 LYS CE C 13 41.86 . . 1 . . . . . . . . 4165 1
204 . 1 1 21 21 LYS CG C 13 25.42 . . 1 . . . . . . . . 4165 1
205 . 1 1 22 22 ASP N N 15 114.82 . . 1 . . . . . . . . 4165 1
206 . 1 1 22 22 ASP H H 1 7.92 . . 1 . . . . . . . . 4165 1
207 . 1 1 22 22 ASP HA H 1 4.48 . . 1 . . . . . . . . 4165 1
208 . 1 1 22 22 ASP HB2 H 1 2.63 . . 2 . . . . . . . . 4165 1
209 . 1 1 22 22 ASP HB3 H 1 3.17 . . 2 . . . . . . . . 4165 1
210 . 1 1 22 22 ASP CA C 13 53.81 . . 1 . . . . . . . . 4165 1
211 . 1 1 22 22 ASP CB C 13 39.33 . . 1 . . . . . . . . 4165 1
212 . 1 1 23 23 GLY N N 15 107.86 . . 1 . . . . . . . . 4165 1
213 . 1 1 23 23 GLY H H 1 8.06 . . 1 . . . . . . . . 4165 1
214 . 1 1 23 23 GLY HA2 H 1 3.44 . . 2 . . . . . . . . 4165 1
215 . 1 1 23 23 GLY HA3 H 1 4.62 . . 2 . . . . . . . . 4165 1
216 . 1 1 23 23 GLY CA C 13 44.42 . . 1 . . . . . . . . 4165 1
217 . 1 1 24 24 ARG N N 15 125.41 . . 1 . . . . . . . . 4165 1
218 . 1 1 24 24 ARG NE N 15 108.52 . . 1 . . . . . . . . 4165 1
219 . 1 1 24 24 ARG H H 1 7.28 . . 1 . . . . . . . . 4165 1
220 . 1 1 24 24 ARG HA H 1 3.50 . . 1 . . . . . . . . 4165 1
221 . 1 1 24 24 ARG HB2 H 1 0.42 . . 2 . . . . . . . . 4165 1
222 . 1 1 24 24 ARG HB3 H 1 0.62 . . 2 . . . . . . . . 4165 1
223 . 1 1 24 24 ARG HD2 H 1 2.90 . . 2 . . . . . . . . 4165 1
224 . 1 1 24 24 ARG HD3 H 1 2.60 . . 2 . . . . . . . . 4165 1
225 . 1 1 24 24 ARG HE H 1 7.50 . . 1 . . . . . . . . 4165 1
226 . 1 1 24 24 ARG HG2 H 1 0.57 . . 2 . . . . . . . . 4165 1
227 . 1 1 24 24 ARG HG3 H 1 1.41 . . 2 . . . . . . . . 4165 1
228 . 1 1 24 24 ARG CA C 13 56.23 . . 1 . . . . . . . . 4165 1
229 . 1 1 24 24 ARG CB C 13 30.33 . . 1 . . . . . . . . 4165 1
230 . 1 1 24 24 ARG CD C 13 42.91 . . 1 . . . . . . . . 4165 1
231 . 1 1 24 24 ARG CG C 13 25.26 . . 1 . . . . . . . . 4165 1
232 . 1 1 25 25 TYR N N 15 120.73 . . 1 . . . . . . . . 4165 1
233 . 1 1 25 25 TYR H H 1 8.61 . . 1 . . . . . . . . 4165 1
234 . 1 1 25 25 TYR HA H 1 5.10 . . 1 . . . . . . . . 4165 1
235 . 1 1 25 25 TYR HB2 H 1 3.14 . . 2 . . . . . . . . 4165 1
236 . 1 1 25 25 TYR HD1 H 1 7.01 . . 3 . . . . . . . . 4165 1
237 . 1 1 25 25 TYR HE1 H 1 6.88 . . 3 . . . . . . . . 4165 1
238 . 1 1 25 25 TYR HH H 1 11.03 . . 1 . . . . . . . . 4165 1
239 . 1 1 25 25 TYR CA C 13 58.93 . . 1 . . . . . . . . 4165 1
240 . 1 1 25 25 TYR CB C 13 41.43 . . 1 . . . . . . . . 4165 1
241 . 1 1 25 25 TYR CD1 C 13 133.10 . . 3 . . . . . . . . 4165 1
242 . 1 1 25 25 TYR CE1 C 13 118.43 . . 3 . . . . . . . . 4165 1
243 . 1 1 26 26 LEU N N 15 122.29 . . 1 . . . . . . . . 4165 1
244 . 1 1 26 26 LEU H H 1 9.12 . . 1 . . . . . . . . 4165 1
245 . 1 1 26 26 LEU HA H 1 5.26 . . 1 . . . . . . . . 4165 1
246 . 1 1 26 26 LEU HB2 H 1 1.70 . . 2 . . . . . . . . 4165 1
247 . 1 1 26 26 LEU HB3 H 1 1.11 . . 2 . . . . . . . . 4165 1
248 . 1 1 26 26 LEU HD11 H 1 0.56 . . 2 . . . . . . . . 4165 1
249 . 1 1 26 26 LEU HD12 H 1 0.56 . . 2 . . . . . . . . 4165 1
250 . 1 1 26 26 LEU HD13 H 1 0.56 . . 2 . . . . . . . . 4165 1
251 . 1 1 26 26 LEU HD21 H 1 0.88 . . 2 . . . . . . . . 4165 1
252 . 1 1 26 26 LEU HD22 H 1 0.88 . . 2 . . . . . . . . 4165 1
253 . 1 1 26 26 LEU HD23 H 1 0.88 . . 2 . . . . . . . . 4165 1
254 . 1 1 26 26 LEU HG H 1 1.43 . . 1 . . . . . . . . 4165 1
255 . 1 1 26 26 LEU CA C 13 53.09 . . 1 . . . . . . . . 4165 1
256 . 1 1 26 26 LEU CB C 13 46.33 . . 1 . . . . . . . . 4165 1
257 . 1 1 26 26 LEU CD1 C 13 24.59 . . 2 . . . . . . . . 4165 1
258 . 1 1 26 26 LEU CD2 C 13 28.20 . . 2 . . . . . . . . 4165 1
259 . 1 1 26 26 LEU CG C 13 27.33 . . 1 . . . . . . . . 4165 1
260 . 1 1 27 27 TYR N N 15 125.44 . . 1 . . . . . . . . 4165 1
261 . 1 1 27 27 TYR H H 1 9.66 . . 1 . . . . . . . . 4165 1
262 . 1 1 27 27 TYR HA H 1 5.56 . . 1 . . . . . . . . 4165 1
263 . 1 1 27 27 TYR HB2 H 1 2.73 . . 2 . . . . . . . . 4165 1
264 . 1 1 27 27 TYR HD1 H 1 6.72 . . 3 . . . . . . . . 4165 1
265 . 1 1 27 27 TYR HE1 H 1 6.61 . . 3 . . . . . . . . 4165 1
266 . 1 1 27 27 TYR CA C 13 55.83 . . 1 . . . . . . . . 4165 1
267 . 1 1 27 27 TYR CB C 13 41.73 . . 1 . . . . . . . . 4165 1
268 . 1 1 27 27 TYR CD1 C 13 133.01 . . 3 . . . . . . . . 4165 1
269 . 1 1 27 27 TYR CE1 C 13 118.23 . . 3 . . . . . . . . 4165 1
270 . 1 1 28 28 LYS N N 15 128.89 . . 1 . . . . . . . . 4165 1
271 . 1 1 28 28 LYS H H 1 7.97 . . 1 . . . . . . . . 4165 1
272 . 1 1 28 28 LYS HA H 1 5.15 . . 1 . . . . . . . . 4165 1
273 . 1 1 28 28 LYS HB2 H 1 1.40 . . 2 . . . . . . . . 4165 1
274 . 1 1 28 28 LYS HD2 H 1 1.21 . . 2 . . . . . . . . 4165 1
275 . 1 1 28 28 LYS HD3 H 1 1.39 . . 2 . . . . . . . . 4165 1
276 . 1 1 28 28 LYS HE2 H 1 2.64 . . 2 . . . . . . . . 4165 1
277 . 1 1 28 28 LYS HE3 H 1 2.70 . . 2 . . . . . . . . 4165 1
278 . 1 1 28 28 LYS HG2 H 1 0.37 . . 2 . . . . . . . . 4165 1
279 . 1 1 28 28 LYS CA C 13 53.03 . . 1 . . . . . . . . 4165 1
280 . 1 1 28 28 LYS CB C 13 35.34 . . 1 . . . . . . . . 4165 1
281 . 1 1 28 28 LYS CD C 13 31.11 . . 1 . . . . . . . . 4165 1
282 . 1 1 28 28 LYS CE C 13 41.58 . . 1 . . . . . . . . 4165 1
283 . 1 1 28 28 LYS CG C 13 24.28 . . 1 . . . . . . . . 4165 1
284 . 1 1 29 29 TYR N N 15 124.32 . . 1 . . . . . . . . 4165 1
285 . 1 1 29 29 TYR H H 1 8.14 . . 1 . . . . . . . . 4165 1
286 . 1 1 29 29 TYR HA H 1 4.72 . . 1 . . . . . . . . 4165 1
287 . 1 1 29 29 TYR HB2 H 1 2.47 . . 2 . . . . . . . . 4165 1
288 . 1 1 29 29 TYR HB3 H 1 2.87 . . 2 . . . . . . . . 4165 1
289 . 1 1 29 29 TYR HD1 H 1 6.71 . . 3 . . . . . . . . 4165 1
290 . 1 1 29 29 TYR HE1 H 1 6.63 . . 3 . . . . . . . . 4165 1
291 . 1 1 29 29 TYR CA C 13 54.81 . . 1 . . . . . . . . 4165 1
292 . 1 1 29 29 TYR CB C 13 40.16 . . 1 . . . . . . . . 4165 1
293 . 1 1 29 29 TYR CD1 C 13 133.98 . . 3 . . . . . . . . 4165 1
294 . 1 1 29 29 TYR CE1 C 13 117.63 . . 3 . . . . . . . . 4165 1
295 . 1 1 30 30 ILE N N 15 120.77 . . 1 . . . . . . . . 4165 1
296 . 1 1 30 30 ILE H H 1 8.61 . . 1 . . . . . . . . 4165 1
297 . 1 1 30 30 ILE HA H 1 4.25 . . 1 . . . . . . . . 4165 1
298 . 1 1 30 30 ILE HB H 1 1.91 . . 1 . . . . . . . . 4165 1
299 . 1 1 30 30 ILE HD11 H 1 0.66 . . 1 . . . . . . . . 4165 1
300 . 1 1 30 30 ILE HD12 H 1 0.66 . . 1 . . . . . . . . 4165 1
301 . 1 1 30 30 ILE HD13 H 1 0.66 . . 1 . . . . . . . . 4165 1
302 . 1 1 30 30 ILE HG21 H 1 1.39 . . 1 . . . . . . . . 4165 1
303 . 1 1 30 30 ILE HG22 H 1 1.39 . . 1 . . . . . . . . 4165 1
304 . 1 1 30 30 ILE HG23 H 1 1.39 . . 1 . . . . . . . . 4165 1
305 . 1 1 30 30 ILE HG12 H 1 1.32 . . 2 . . . . . . . . 4165 1
306 . 1 1 30 30 ILE HG13 H 1 0.88 . . 2 . . . . . . . . 4165 1
307 . 1 1 30 30 ILE CA C 13 58.62 . . 1 . . . . . . . . 4165 1
308 . 1 1 30 30 ILE CB C 13 36.89 . . 1 . . . . . . . . 4165 1
309 . 1 1 30 30 ILE CD1 C 13 10.57 . . 1 . . . . . . . . 4165 1
310 . 1 1 30 30 ILE CG1 C 13 27.13 . . 1 . . . . . . . . 4165 1
311 . 1 1 30 30 ILE CG2 C 13 17.53 . . 1 . . . . . . . . 4165 1
312 . 1 1 31 31 ASP N N 15 128.46 . . 1 . . . . . . . . 4165 1
313 . 1 1 31 31 ASP H H 1 8.65 . . 1 . . . . . . . . 4165 1
314 . 1 1 31 31 ASP HA H 1 4.71 . . 1 . . . . . . . . 4165 1
315 . 1 1 31 31 ASP HB2 H 1 2.67 . . 2 . . . . . . . . 4165 1
316 . 1 1 31 31 ASP HB3 H 1 3.61 . . 2 . . . . . . . . 4165 1
317 . 1 1 31 31 ASP CA C 13 53.23 . . 1 . . . . . . . . 4165 1
318 . 1 1 31 31 ASP CB C 13 41.70 . . 1 . . . . . . . . 4165 1
319 . 1 1 32 32 SER N N 15 112.84 . . 1 . . . . . . . . 4165 1
320 . 1 1 32 32 SER H H 1 8.32 . . 1 . . . . . . . . 4165 1
321 . 1 1 32 32 SER HA H 1 4.11 . . 1 . . . . . . . . 4165 1
322 . 1 1 32 32 SER HB2 H 1 3.56 . . 2 . . . . . . . . 4165 1
323 . 1 1 32 32 SER HB3 H 1 3.69 . . 2 . . . . . . . . 4165 1
324 . 1 1 32 32 SER CA C 13 61.03 . . 1 . . . . . . . . 4165 1
325 . 1 1 32 32 SER CB C 13 62.71 . . 1 . . . . . . . . 4165 1
326 . 1 1 33 33 PHE N N 15 121.06 . . 1 . . . . . . . . 4165 1
327 . 1 1 33 33 PHE H H 1 8.42 . . 1 . . . . . . . . 4165 1
328 . 1 1 33 33 PHE HA H 1 4.63 . . 1 . . . . . . . . 4165 1
329 . 1 1 33 33 PHE HB2 H 1 3.46 . . 1 . . . . . . . . 4165 1
330 . 1 1 33 33 PHE HB3 H 1 3.16 . . 1 . . . . . . . . 4165 1
331 . 1 1 33 33 PHE HD1 H 1 7.28 . . 3 . . . . . . . . 4165 1
332 . 1 1 33 33 PHE CA C 13 57.48 . . 1 . . . . . . . . 4165 1
333 . 1 1 33 33 PHE CB C 13 38.87 . . 1 . . . . . . . . 4165 1
334 . 1 1 33 33 PHE CD1 C 13 132.23 . . 3 . . . . . . . . 4165 1
335 . 1 1 34 34 GLY N N 15 108.75 . . 1 . . . . . . . . 4165 1
336 . 1 1 34 34 GLY H H 1 8.20 . . 1 . . . . . . . . 4165 1
337 . 1 1 34 34 GLY HA2 H 1 3.55 . . 2 . . . . . . . . 4165 1
338 . 1 1 34 34 GLY HA3 H 1 4.26 . . 2 . . . . . . . . 4165 1
339 . 1 1 34 34 GLY CA C 13 45.34 . . 1 . . . . . . . . 4165 1
340 . 1 1 35 35 GLU N N 15 123.38 . . 1 . . . . . . . . 4165 1
341 . 1 1 35 35 GLU H H 1 8.62 . . 1 . . . . . . . . 4165 1
342 . 1 1 35 35 GLU HA H 1 4.87 . . 1 . . . . . . . . 4165 1
343 . 1 1 35 35 GLU HB2 H 1 2.03 . . 2 . . . . . . . . 4165 1
344 . 1 1 35 35 GLU HB3 H 1 2.10 . . 2 . . . . . . . . 4165 1
345 . 1 1 35 35 GLU HG2 H 1 2.16 . . 2 . . . . . . . . 4165 1
346 . 1 1 35 35 GLU HG3 H 1 2.38 . . 2 . . . . . . . . 4165 1
347 . 1 1 35 35 GLU CA C 13 53.27 . . 1 . . . . . . . . 4165 1
348 . 1 1 35 35 GLU CB C 13 30.03 . . 1 . . . . . . . . 4165 1
349 . 1 1 35 35 GLU CG C 13 35.33 . . 1 . . . . . . . . 4165 1
350 . 1 1 36 36 PRO HA H 1 4.68 . . 1 . . . . . . . . 4165 1
351 . 1 1 36 36 PRO HB2 H 1 1.85 . . 2 . . . . . . . . 4165 1
352 . 1 1 36 36 PRO HB3 H 1 1.68 . . 2 . . . . . . . . 4165 1
353 . 1 1 36 36 PRO HD2 H 1 3.88 . . 2 . . . . . . . . 4165 1
354 . 1 1 36 36 PRO HG2 H 1 2.08 . . 2 . . . . . . . . 4165 1
355 . 1 1 36 36 PRO HG3 H 1 2.24 . . 2 . . . . . . . . 4165 1
356 . 1 1 36 36 PRO CA C 13 62.27 . . 1 . . . . . . . . 4165 1
357 . 1 1 36 36 PRO CB C 13 31.93 . . 1 . . . . . . . . 4165 1
358 . 1 1 36 36 PRO CD C 13 50.63 . . 1 . . . . . . . . 4165 1
359 . 1 1 36 36 PRO CG C 13 27.38 . . 1 . . . . . . . . 4165 1
360 . 1 1 37 37 GLN N N 15 121.24 . . 1 . . . . . . . . 4165 1
361 . 1 1 37 37 GLN NE2 N 15 113.36 . . 1 . . . . . . . . 4165 1
362 . 1 1 37 37 GLN H H 1 8.62 . . 1 . . . . . . . . 4165 1
363 . 1 1 37 37 GLN HA H 1 4.59 . . 1 . . . . . . . . 4165 1
364 . 1 1 37 37 GLN HB2 H 1 2.11 . . 2 . . . . . . . . 4165 1
365 . 1 1 37 37 GLN HE21 H 1 7.07 . . 2 . . . . . . . . 4165 1
366 . 1 1 37 37 GLN HE22 H 1 6.90 . . 2 . . . . . . . . 4165 1
367 . 1 1 37 37 GLN HG2 H 1 0.55 . . 2 . . . . . . . . 4165 1
368 . 1 1 37 37 GLN HG3 H 1 1.80 . . 2 . . . . . . . . 4165 1
369 . 1 1 37 37 GLN CA C 13 53.28 . . 1 . . . . . . . . 4165 1
370 . 1 1 37 37 GLN CB C 13 32.73 . . 1 . . . . . . . . 4165 1
371 . 1 1 37 37 GLN CG C 13 30.93 . . 1 . . . . . . . . 4165 1
372 . 1 1 38 38 PHE N N 15 118.81 . . 1 . . . . . . . . 4165 1
373 . 1 1 38 38 PHE H H 1 8.73 . . 1 . . . . . . . . 4165 1
374 . 1 1 38 38 PHE HA H 1 4.79 . . 1 . . . . . . . . 4165 1
375 . 1 1 38 38 PHE HB2 H 1 2.43 . . 2 . . . . . . . . 4165 1
376 . 1 1 38 38 PHE HB3 H 1 2.98 . . 2 . . . . . . . . 4165 1
377 . 1 1 38 38 PHE HD1 H 1 7.28 . . 3 . . . . . . . . 4165 1
378 . 1 1 38 38 PHE HE1 H 1 7.11 . . 3 . . . . . . . . 4165 1
379 . 1 1 38 38 PHE CA C 13 57.05 . . 1 . . . . . . . . 4165 1
380 . 1 1 38 38 PHE CB C 13 40.28 . . 1 . . . . . . . . 4165 1
381 . 1 1 38 38 PHE CD1 C 13 132.40 . . 3 . . . . . . . . 4165 1
382 . 1 1 38 38 PHE CE1 C 13 131.09 . . 3 . . . . . . . . 4165 1
383 . 1 1 39 39 VAL N N 15 125.25 . . 1 . . . . . . . . 4165 1
384 . 1 1 39 39 VAL H H 1 9.00 . . 1 . . . . . . . . 4165 1
385 . 1 1 39 39 VAL HA H 1 4.33 . . 1 . . . . . . . . 4165 1
386 . 1 1 39 39 VAL HB H 1 2.35 . . 1 . . . . . . . . 4165 1
387 . 1 1 39 39 VAL HG11 H 1 1.21 . . 2 . . . . . . . . 4165 1
388 . 1 1 39 39 VAL HG12 H 1 1.21 . . 2 . . . . . . . . 4165 1
389 . 1 1 39 39 VAL HG13 H 1 1.21 . . 2 . . . . . . . . 4165 1
390 . 1 1 39 39 VAL HG21 H 1 1.12 . . 2 . . . . . . . . 4165 1
391 . 1 1 39 39 VAL HG22 H 1 1.12 . . 2 . . . . . . . . 4165 1
392 . 1 1 39 39 VAL HG23 H 1 1.12 . . 2 . . . . . . . . 4165 1
393 . 1 1 39 39 VAL CA C 13 61.65 . . 1 . . . . . . . . 4165 1
394 . 1 1 39 39 VAL CB C 13 34.93 . . 1 . . . . . . . . 4165 1
395 . 1 1 39 39 VAL CG1 C 13 22.53 . . 2 . . . . . . . . 4165 1
396 . 1 1 39 39 VAL CG2 C 13 21.40 . . 2 . . . . . . . . 4165 1
397 . 1 1 40 40 TYR N N 15 122.41 . . 1 . . . . . . . . 4165 1
398 . 1 1 40 40 TYR H H 1 9.27 . . 1 . . . . . . . . 4165 1
399 . 1 1 40 40 TYR HA H 1 5.87 . . 1 . . . . . . . . 4165 1
400 . 1 1 40 40 TYR HB2 H 1 2.79 . . 2 . . . . . . . . 4165 1
401 . 1 1 40 40 TYR HB3 H 1 3.16 . . 2 . . . . . . . . 4165 1
402 . 1 1 40 40 TYR HD1 H 1 7.07 . . 3 . . . . . . . . 4165 1
403 . 1 1 40 40 TYR HE1 H 1 6.59 . . 3 . . . . . . . . 4165 1
404 . 1 1 40 40 TYR HH H 1 10.80 . . 1 . . . . . . . . 4165 1
405 . 1 1 40 40 TYR CA C 13 56.45 . . 1 . . . . . . . . 4165 1
406 . 1 1 40 40 TYR CB C 13 42.63 . . 1 . . . . . . . . 4165 1
407 . 1 1 40 40 TYR CD1 C 13 133.38 . . 3 . . . . . . . . 4165 1
408 . 1 1 40 40 TYR CE1 C 13 117.65 . . 3 . . . . . . . . 4165 1
409 . 1 1 41 41 SER N N 15 109.90 . . 1 . . . . . . . . 4165 1
410 . 1 1 41 41 SER H H 1 8.53 . . 1 . . . . . . . . 4165 1
411 . 1 1 41 41 SER HA H 1 4.63 . . 1 . . . . . . . . 4165 1
412 . 1 1 41 41 SER HB2 H 1 4.18 . . 2 . . . . . . . . 4165 1
413 . 1 1 41 41 SER HB3 H 1 3.77 . . 2 . . . . . . . . 4165 1
414 . 1 1 41 41 SER HG H 1 5.72 . . 1 . . . . . . . . 4165 1
415 . 1 1 41 41 SER CA C 13 59.23 . . 1 . . . . . . . . 4165 1
416 . 1 1 41 41 SER CB C 13 64.23 . . 1 . . . . . . . . 4165 1
417 . 1 1 42 42 TRP N N 15 125.09 . . 1 . . . . . . . . 4165 1
418 . 1 1 42 42 TRP NE1 N 15 107.96 . . 1 . . . . . . . . 4165 1
419 . 1 1 42 42 TRP H H 1 8.70 . . 1 . . . . . . . . 4165 1
420 . 1 1 42 42 TRP HA H 1 4.81 . . 1 . . . . . . . . 4165 1
421 . 1 1 42 42 TRP HB2 H 1 3.62 . . 2 . . . . . . . . 4165 1
422 . 1 1 42 42 TRP HB3 H 1 3.14 . . 2 . . . . . . . . 4165 1
423 . 1 1 42 42 TRP HD1 H 1 7.61 . . 1 . . . . . . . . 4165 1
424 . 1 1 42 42 TRP HE1 H 1 11.38 . . 1 . . . . . . . . 4165 1
425 . 1 1 42 42 TRP HE3 H 1 7.82 . . 1 . . . . . . . . 4165 1
426 . 1 1 42 42 TRP HH2 H 1 7.15 . . 1 . . . . . . . . 4165 1
427 . 1 1 42 42 TRP HZ2 H 1 7.43 . . 1 . . . . . . . . 4165 1
428 . 1 1 42 42 TRP HZ3 H 1 6.98 . . 1 . . . . . . . . 4165 1
429 . 1 1 42 42 TRP CA C 13 60.61 . . 1 . . . . . . . . 4165 1
430 . 1 1 42 42 TRP CB C 13 33.03 . . 1 . . . . . . . . 4165 1
431 . 1 1 42 42 TRP CD1 C 13 126.30 . . 1 . . . . . . . . 4165 1
432 . 1 1 42 42 TRP CE3 C 13 119.84 . . 1 . . . . . . . . 4165 1
433 . 1 1 42 42 TRP CH2 C 13 125.06 . . 1 . . . . . . . . 4165 1
434 . 1 1 42 42 TRP CZ2 C 13 114.28 . . 1 . . . . . . . . 4165 1
435 . 1 1 42 42 TRP CZ3 C 13 122.71 . . 1 . . . . . . . . 4165 1
436 . 1 1 43 43 LYS N N 15 117.93 . . 1 . . . . . . . . 4165 1
437 . 1 1 43 43 LYS H H 1 8.63 . . 1 . . . . . . . . 4165 1
438 . 1 1 43 43 LYS HA H 1 4.70 . . 1 . . . . . . . . 4165 1
439 . 1 1 43 43 LYS HB2 H 1 2.08 . . 2 . . . . . . . . 4165 1
440 . 1 1 43 43 LYS HB3 H 1 1.30 . . 2 . . . . . . . . 4165 1
441 . 1 1 43 43 LYS HD2 H 1 1.57 . . 2 . . . . . . . . 4165 1
442 . 1 1 43 43 LYS HD3 H 1 1.79 . . 2 . . . . . . . . 4165 1
443 . 1 1 43 43 LYS HE2 H 1 2.99 . . 2 . . . . . . . . 4165 1
444 . 1 1 43 43 LYS HE3 H 1 3.12 . . 2 . . . . . . . . 4165 1
445 . 1 1 43 43 LYS HG2 H 1 1.11 . . 2 . . . . . . . . 4165 1
446 . 1 1 43 43 LYS CA C 13 54.97 . . 1 . . . . . . . . 4165 1
447 . 1 1 44 44 LEU N N 15 105.49 . . 1 . . . . . . . . 4165 1
448 . 1 1 44 44 LEU H H 1 9.70 . . 1 . . . . . . . . 4165 1
449 . 1 1 44 44 LEU HA H 1 3.90 . . 1 . . . . . . . . 4165 1
450 . 1 1 44 44 LEU HB2 H 1 -0.06 . . 2 . . . . . . . . 4165 1
451 . 1 1 44 44 LEU HB3 H 1 1.58 . . 2 . . . . . . . . 4165 1
452 . 1 1 44 44 LEU HD11 H 1 0.57 . . 2 . . . . . . . . 4165 1
453 . 1 1 44 44 LEU HD12 H 1 0.57 . . 2 . . . . . . . . 4165 1
454 . 1 1 44 44 LEU HD13 H 1 0.57 . . 2 . . . . . . . . 4165 1
455 . 1 1 44 44 LEU HD21 H 1 0.49 . . 2 . . . . . . . . 4165 1
456 . 1 1 44 44 LEU HD22 H 1 0.49 . . 2 . . . . . . . . 4165 1
457 . 1 1 44 44 LEU HD23 H 1 0.49 . . 2 . . . . . . . . 4165 1
458 . 1 1 44 44 LEU HG H 1 1.12 . . 1 . . . . . . . . 4165 1
459 . 1 1 44 44 LEU CA C 13 57.31 . . 1 . . . . . . . . 4165 1
460 . 1 1 44 44 LEU CB C 13 42.93 . . 1 . . . . . . . . 4165 1
461 . 1 1 44 44 LEU CD1 C 13 24.64 . . 2 . . . . . . . . 4165 1
462 . 1 1 44 44 LEU CD2 C 13 21.85 . . 2 . . . . . . . . 4165 1
463 . 1 1 44 44 LEU CG C 13 26.94 . . 1 . . . . . . . . 4165 1
464 . 1 1 45 45 VAL N N 15 106.46 . . 1 . . . . . . . . 4165 1
465 . 1 1 45 45 VAL H H 1 7.15 . . 1 . . . . . . . . 4165 1
466 . 1 1 45 45 VAL HA H 1 4.74 . . 1 . . . . . . . . 4165 1
467 . 1 1 45 45 VAL HB H 1 2.34 . . 1 . . . . . . . . 4165 1
468 . 1 1 45 45 VAL HG11 H 1 0.85 . . 2 . . . . . . . . 4165 1
469 . 1 1 45 45 VAL HG12 H 1 0.85 . . 2 . . . . . . . . 4165 1
470 . 1 1 45 45 VAL HG13 H 1 0.85 . . 2 . . . . . . . . 4165 1
471 . 1 1 45 45 VAL HG21 H 1 0.75 . . 2 . . . . . . . . 4165 1
472 . 1 1 45 45 VAL HG22 H 1 0.75 . . 2 . . . . . . . . 4165 1
473 . 1 1 45 45 VAL HG23 H 1 0.75 . . 2 . . . . . . . . 4165 1
474 . 1 1 45 45 VAL CA C 13 58.41 . . 1 . . . . . . . . 4165 1
475 . 1 1 45 45 VAL CB C 13 34.99 . . 1 . . . . . . . . 4165 1
476 . 1 1 45 45 VAL CG1 C 13 22.70 . . 2 . . . . . . . . 4165 1
477 . 1 1 45 45 VAL CG2 C 13 18.87 . . 2 . . . . . . . . 4165 1
478 . 1 1 46 46 ALA N N 15 122.74 . . 1 . . . . . . . . 4165 1
479 . 1 1 46 46 ALA H H 1 8.62 . . 1 . . . . . . . . 4165 1
480 . 1 1 46 46 ALA HA H 1 3.97 . . 1 . . . . . . . . 4165 1
481 . 1 1 46 46 ALA HB1 H 1 1.45 . . 1 . . . . . . . . 4165 1
482 . 1 1 46 46 ALA HB2 H 1 1.45 . . 1 . . . . . . . . 4165 1
483 . 1 1 46 46 ALA HB3 H 1 1.45 . . 1 . . . . . . . . 4165 1
484 . 1 1 46 46 ALA CA C 13 55.92 . . 1 . . . . . . . . 4165 1
485 . 1 1 46 46 ALA CB C 13 19.43 . . 1 . . . . . . . . 4165 1
486 . 1 1 47 47 THR N N 15 125.63 . . 1 . . . . . . . . 4165 1
487 . 1 1 47 47 THR H H 1 7.08 . . 1 . . . . . . . . 4165 1
488 . 1 1 47 47 THR HA H 1 4.20 . . 1 . . . . . . . . 4165 1
489 . 1 1 47 47 THR HB H 1 4.53 . . 1 . . . . . . . . 4165 1
490 . 1 1 47 47 THR HG21 H 1 1.23 . . 1 . . . . . . . . 4165 1
491 . 1 1 47 47 THR HG22 H 1 1.23 . . 1 . . . . . . . . 4165 1
492 . 1 1 47 47 THR HG23 H 1 1.23 . . 1 . . . . . . . . 4165 1
493 . 1 1 47 47 THR CA C 13 61.63 . . 1 . . . . . . . . 4165 1
494 . 1 1 47 47 THR CB C 13 68.83 . . 1 . . . . . . . . 4165 1
495 . 1 1 47 47 THR CG2 C 13 21.88 . . 1 . . . . . . . . 4165 1
496 . 1 1 48 48 ASP N N 15 123.69 . . 1 . . . . . . . . 4165 1
497 . 1 1 48 48 ASP H H 1 7.59 . . 1 . . . . . . . . 4165 1
498 . 1 1 48 48 ASP HA H 1 4.68 . . 1 . . . . . . . . 4165 1
499 . 1 1 48 48 ASP HB2 H 1 3.30 . . 1 . . . . . . . . 4165 1
500 . 1 1 48 48 ASP HB3 H 1 2.88 . . 1 . . . . . . . . 4165 1
501 . 1 1 48 48 ASP CB C 13 41.74 . . 1 . . . . . . . . 4165 1
502 . 1 1 49 49 ARG N N 15 118.10 . . 1 . . . . . . . . 4165 1
503 . 1 1 49 49 ARG H H 1 8.63 . . 1 . . . . . . . . 4165 1
504 . 1 1 49 49 ARG HA H 1 4.73 . . 1 . . . . . . . . 4165 1
505 . 1 1 49 49 ARG HB2 H 1 1.81 . . 2 . . . . . . . . 4165 1
506 . 1 1 49 49 ARG HB3 H 1 1.67 . . 2 . . . . . . . . 4165 1
507 . 1 1 49 49 ARG HD2 H 1 3.21 . . 2 . . . . . . . . 4165 1
508 . 1 1 49 49 ARG HG2 H 1 1.68 . . 2 . . . . . . . . 4165 1
509 . 1 1 49 49 ARG CA C 13 54.20 . . 1 . . . . . . . . 4165 1
510 . 1 1 49 49 ARG CB C 13 32.28 . . 1 . . . . . . . . 4165 1
511 . 1 1 49 49 ARG CD C 13 43.23 . . 1 . . . . . . . . 4165 1
512 . 1 1 49 49 ARG CG C 13 27.22 . . 1 . . . . . . . . 4165 1
513 . 1 1 50 50 VAL N N 15 120.92 . . 1 . . . . . . . . 4165 1
514 . 1 1 50 50 VAL H H 1 8.69 . . 1 . . . . . . . . 4165 1
515 . 1 1 50 50 VAL HA H 1 4.26 . . 1 . . . . . . . . 4165 1
516 . 1 1 50 50 VAL HB H 1 1.93 . . 1 . . . . . . . . 4165 1
517 . 1 1 50 50 VAL HG11 H 1 0.84 . . 2 . . . . . . . . 4165 1
518 . 1 1 50 50 VAL HG12 H 1 0.84 . . 2 . . . . . . . . 4165 1
519 . 1 1 50 50 VAL HG13 H 1 0.84 . . 2 . . . . . . . . 4165 1
520 . 1 1 50 50 VAL HG21 H 1 1.13 . . 2 . . . . . . . . 4165 1
521 . 1 1 50 50 VAL HG22 H 1 1.13 . . 2 . . . . . . . . 4165 1
522 . 1 1 50 50 VAL HG23 H 1 1.13 . . 2 . . . . . . . . 4165 1
523 . 1 1 50 50 VAL CA C 13 60.40 . . 1 . . . . . . . . 4165 1
524 . 1 1 50 50 VAL CB C 13 31.11 . . 1 . . . . . . . . 4165 1
525 . 1 1 50 50 VAL CG1 C 13 19.79 . . 2 . . . . . . . . 4165 1
526 . 1 1 50 50 VAL CG2 C 13 22.53 . . 2 . . . . . . . . 4165 1
527 . 1 1 51 51 PRO HA H 1 4.20 . . 1 . . . . . . . . 4165 1
528 . 1 1 51 51 PRO HB2 H 1 1.17 . . 2 . . . . . . . . 4165 1
529 . 1 1 51 51 PRO HB3 H 1 2.04 . . 2 . . . . . . . . 4165 1
530 . 1 1 51 51 PRO HD2 H 1 3.58 . . 2 . . . . . . . . 4165 1
531 . 1 1 51 51 PRO HD3 H 1 2.27 . . 2 . . . . . . . . 4165 1
532 . 1 1 51 51 PRO HG2 H 1 0.55 . . 2 . . . . . . . . 4165 1
533 . 1 1 51 51 PRO HG3 H 1 1.42 . . 2 . . . . . . . . 4165 1
534 . 1 1 51 51 PRO CA C 13 62.41 . . 1 . . . . . . . . 4165 1
535 . 1 1 51 51 PRO CB C 13 31.57 . . 1 . . . . . . . . 4165 1
536 . 1 1 51 51 PRO CD C 13 50.31 . . 1 . . . . . . . . 4165 1
537 . 1 1 51 51 PRO CG C 13 27.23 . . 1 . . . . . . . . 4165 1
538 . 1 1 52 52 ALA N N 15 122.83 . . 1 . . . . . . . . 4165 1
539 . 1 1 52 52 ALA H H 1 8.11 . . 1 . . . . . . . . 4165 1
540 . 1 1 52 52 ALA HA H 1 4.02 . . 1 . . . . . . . . 4165 1
541 . 1 1 52 52 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 4165 1
542 . 1 1 52 52 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 4165 1
543 . 1 1 52 52 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 4165 1
544 . 1 1 52 52 ALA CA C 13 53.53 . . 1 . . . . . . . . 4165 1
545 . 1 1 52 52 ALA CB C 13 18.11 . . 1 . . . . . . . . 4165 1
546 . 1 1 53 53 GLY N N 15 111.06 . . 1 . . . . . . . . 4165 1
547 . 1 1 53 53 GLY H H 1 8.61 . . 1 . . . . . . . . 4165 1
548 . 1 1 53 53 GLY HA2 H 1 3.63 . . 2 . . . . . . . . 4165 1
549 . 1 1 53 53 GLY HA3 H 1 4.20 . . 2 . . . . . . . . 4165 1
550 . 1 1 53 53 GLY CA C 13 45.18 . . 1 . . . . . . . . 4165 1
551 . 1 1 54 54 LYS N N 15 117.90 . . 1 . . . . . . . . 4165 1
552 . 1 1 54 54 LYS H H 1 7.43 . . 1 . . . . . . . . 4165 1
553 . 1 1 54 54 LYS HA H 1 4.52 . . 1 . . . . . . . . 4165 1
554 . 1 1 54 54 LYS HB2 H 1 2.10 . . 1 . . . . . . . . 4165 1
555 . 1 1 54 54 LYS HB3 H 1 1.35 . . 1 . . . . . . . . 4165 1
556 . 1 1 54 54 LYS HD2 H 1 1.87 . . 2 . . . . . . . . 4165 1
557 . 1 1 54 54 LYS HD3 H 1 1.21 . . 2 . . . . . . . . 4165 1
558 . 1 1 54 54 LYS HE2 H 1 2.87 . . 2 . . . . . . . . 4165 1
559 . 1 1 54 54 LYS HE3 H 1 2.58 . . 2 . . . . . . . . 4165 1
560 . 1 1 54 54 LYS HG2 H 1 0.21 . . 2 . . . . . . . . 4165 1
561 . 1 1 54 54 LYS HG3 H 1 0.78 . . 2 . . . . . . . . 4165 1
562 . 1 1 54 54 LYS CA C 13 52.93 . . 1 . . . . . . . . 4165 1
563 . 1 1 54 54 LYS CB C 13 29.98 . . 1 . . . . . . . . 4165 1
564 . 1 1 54 54 LYS CD C 13 26.28 . . 1 . . . . . . . . 4165 1
565 . 1 1 54 54 LYS CE C 13 42.78 . . 1 . . . . . . . . 4165 1
566 . 1 1 54 54 LYS CG C 13 25.83 . . 1 . . . . . . . . 4165 1
567 . 1 1 55 55 ARG N N 15 120.36 . . 1 . . . . . . . . 4165 1
568 . 1 1 55 55 ARG NE N 15 110.90 . . 1 . . . . . . . . 4165 1
569 . 1 1 55 55 ARG H H 1 8.86 . . 1 . . . . . . . . 4165 1
570 . 1 1 55 55 ARG HA H 1 4.36 . . 1 . . . . . . . . 4165 1
571 . 1 1 55 55 ARG HB2 H 1 1.94 . . 2 . . . . . . . . 4165 1
572 . 1 1 55 55 ARG HD2 H 1 3.40 . . 2 . . . . . . . . 4165 1
573 . 1 1 55 55 ARG HD3 H 1 3.23 . . 2 . . . . . . . . 4165 1
574 . 1 1 55 55 ARG HE H 1 7.90 . . 1 . . . . . . . . 4165 1
575 . 1 1 55 55 ARG HG2 H 1 1.84 . . 2 . . . . . . . . 4165 1
576 . 1 1 55 55 ARG HG3 H 1 1.76 . . 2 . . . . . . . . 4165 1
577 . 1 1 55 55 ARG CA C 13 56.50 . . 1 . . . . . . . . 4165 1
578 . 1 1 55 55 ARG CB C 13 30.63 . . 1 . . . . . . . . 4165 1
579 . 1 1 55 55 ARG CD C 13 44.37 . . 1 . . . . . . . . 4165 1
580 . 1 1 55 55 ARG CG C 13 28.33 . . 1 . . . . . . . . 4165 1
581 . 1 1 56 56 ASP N N 15 123.22 . . 1 . . . . . . . . 4165 1
582 . 1 1 56 56 ASP H H 1 8.65 . . 1 . . . . . . . . 4165 1
583 . 1 1 56 56 ASP HA H 1 4.57 . . 1 . . . . . . . . 4165 1
584 . 1 1 56 56 ASP HB2 H 1 2.62 . . 2 . . . . . . . . 4165 1
585 . 1 1 56 56 ASP CA C 13 55.53 . . 1 . . . . . . . . 4165 1
586 . 1 1 56 56 ASP CB C 13 41.53 . . 1 . . . . . . . . 4165 1
587 . 1 1 57 57 ALA N N 15 124.60 . . 1 . . . . . . . . 4165 1
588 . 1 1 57 57 ALA H H 1 7.75 . . 1 . . . . . . . . 4165 1
589 . 1 1 57 57 ALA HA H 1 4.70 . . 1 . . . . . . . . 4165 1
590 . 1 1 57 57 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 4165 1
591 . 1 1 57 57 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 4165 1
592 . 1 1 57 57 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 4165 1
593 . 1 1 57 57 ALA CA C 13 51.47 . . 1 . . . . . . . . 4165 1
594 . 1 1 57 57 ALA CB C 13 23.68 . . 1 . . . . . . . . 4165 1
595 . 1 1 58 58 ILE N N 15 117.02 . . 1 . . . . . . . . 4165 1
596 . 1 1 58 58 ILE H H 1 8.14 . . 1 . . . . . . . . 4165 1
597 . 1 1 58 58 ILE HA H 1 4.39 . . 1 . . . . . . . . 4165 1
598 . 1 1 58 58 ILE HB H 1 1.80 . . 1 . . . . . . . . 4165 1
599 . 1 1 58 58 ILE HD11 H 1 0.83 . . 1 . . . . . . . . 4165 1
600 . 1 1 58 58 ILE HD12 H 1 0.83 . . 1 . . . . . . . . 4165 1
601 . 1 1 58 58 ILE HD13 H 1 0.83 . . 1 . . . . . . . . 4165 1
602 . 1 1 58 58 ILE HG12 H 1 1.23 . . 2 . . . . . . . . 4165 1
603 . 1 1 58 58 ILE HG13 H 1 1.47 . . 2 . . . . . . . . 4165 1
604 . 1 1 58 58 ILE HG21 H 1 1.05 . . 1 . . . . . . . . 4165 1
605 . 1 1 58 58 ILE HG22 H 1 1.05 . . 1 . . . . . . . . 4165 1
606 . 1 1 58 58 ILE HG23 H 1 1.05 . . 1 . . . . . . . . 4165 1
607 . 1 1 58 58 ILE CA C 13 61.60 . . 1 . . . . . . . . 4165 1
608 . 1 1 58 58 ILE CB C 13 38.67 . . 1 . . . . . . . . 4165 1
609 . 1 1 58 58 ILE CD1 C 13 13.33 . . 1 . . . . . . . . 4165 1
610 . 1 1 58 58 ILE CG1 C 13 26.74 . . 1 . . . . . . . . 4165 1
611 . 1 1 58 58 ILE CG2 C 13 17.99 . . 1 . . . . . . . . 4165 1
612 . 1 1 59 59 SER N N 15 118.34 . . 1 . . . . . . . . 4165 1
613 . 1 1 59 59 SER H H 1 8.20 . . 1 . . . . . . . . 4165 1
614 . 1 1 59 59 SER HA H 1 4.36 . . 1 . . . . . . . . 4165 1
615 . 1 1 59 59 SER HB2 H 1 3.33 . . 2 . . . . . . . . 4165 1
616 . 1 1 59 59 SER HB3 H 1 3.42 . . 2 . . . . . . . . 4165 1
617 . 1 1 59 59 SER CA C 13 58.76 . . 1 . . . . . . . . 4165 1
618 . 1 1 59 59 SER CB C 13 66.04 . . 1 . . . . . . . . 4165 1
619 . 1 1 60 60 LEU N N 15 122.01 . . 1 . . . . . . . . 4165 1
620 . 1 1 60 60 LEU H H 1 9.24 . . 1 . . . . . . . . 4165 1
621 . 1 1 60 60 LEU HA H 1 3.73 . . 1 . . . . . . . . 4165 1
622 . 1 1 60 60 LEU HB2 H 1 1.95 . . 2 . . . . . . . . 4165 1
623 . 1 1 60 60 LEU HB3 H 1 1.69 . . 2 . . . . . . . . 4165 1
624 . 1 1 60 60 LEU HD11 H 1 0.88 . . 2 . . . . . . . . 4165 1
625 . 1 1 60 60 LEU HD12 H 1 0.88 . . 2 . . . . . . . . 4165 1
626 . 1 1 60 60 LEU HD13 H 1 0.88 . . 2 . . . . . . . . 4165 1
627 . 1 1 60 60 LEU HD21 H 1 0.97 . . 2 . . . . . . . . 4165 1
628 . 1 1 60 60 LEU HD22 H 1 0.97 . . 2 . . . . . . . . 4165 1
629 . 1 1 60 60 LEU HD23 H 1 0.97 . . 2 . . . . . . . . 4165 1
630 . 1 1 60 60 LEU HG H 1 1.54 . . 1 . . . . . . . . 4165 1
631 . 1 1 60 60 LEU CA C 13 58.81 . . 1 . . . . . . . . 4165 1
632 . 1 1 60 60 LEU CB C 13 44.09 . . 1 . . . . . . . . 4165 1
633 . 1 1 60 60 LEU CD1 C 13 23.83 . . 2 . . . . . . . . 4165 1
634 . 1 1 60 60 LEU CD2 C 13 25.77 . . 2 . . . . . . . . 4165 1
635 . 1 1 60 60 LEU CG C 13 26.42 . . 1 . . . . . . . . 4165 1
636 . 1 1 61 61 ARG N N 15 112.83 . . 1 . . . . . . . . 4165 1
637 . 1 1 61 61 ARG NE N 15 111.71 . . 1 . . . . . . . . 4165 1
638 . 1 1 61 61 ARG H H 1 8.18 . . 1 . . . . . . . . 4165 1
639 . 1 1 61 61 ARG HA H 1 3.90 . . 1 . . . . . . . . 4165 1
640 . 1 1 61 61 ARG HB2 H 1 1.75 . . 2 . . . . . . . . 4165 1
641 . 1 1 61 61 ARG HB3 H 1 1.84 . . 2 . . . . . . . . 4165 1
642 . 1 1 61 61 ARG HD2 H 1 2.94 . . 2 . . . . . . . . 4165 1
643 . 1 1 61 61 ARG HE H 1 10.08 . . 1 . . . . . . . . 4165 1
644 . 1 1 61 61 ARG HG2 H 1 1.47 . . 2 . . . . . . . . 4165 1
645 . 1 1 61 61 ARG HG3 H 1 1.82 . . 2 . . . . . . . . 4165 1
646 . 1 1 61 61 ARG CA C 13 60.95 . . 1 . . . . . . . . 4165 1
647 . 1 1 61 61 ARG CB C 13 28.60 . . 1 . . . . . . . . 4165 1
648 . 1 1 61 61 ARG CD C 13 43.20 . . 1 . . . . . . . . 4165 1
649 . 1 1 61 61 ARG CG C 13 30.53 . . 1 . . . . . . . . 4165 1
650 . 1 1 62 62 GLU N N 15 121.16 . . 1 . . . . . . . . 4165 1
651 . 1 1 62 62 GLU H H 1 7.54 . . 1 . . . . . . . . 4165 1
652 . 1 1 62 62 GLU HA H 1 4.04 . . 1 . . . . . . . . 4165 1
653 . 1 1 62 62 GLU HB2 H 1 2.05 . . 2 . . . . . . . . 4165 1
654 . 1 1 62 62 GLU HB3 H 1 2.21 . . 2 . . . . . . . . 4165 1
655 . 1 1 62 62 GLU HG2 H 1 2.11 . . 2 . . . . . . . . 4165 1
656 . 1 1 62 62 GLU HG3 H 1 2.19 . . 2 . . . . . . . . 4165 1
657 . 1 1 62 62 GLU CA C 13 59.61 . . 1 . . . . . . . . 4165 1
658 . 1 1 62 62 GLU CB C 13 30.78 . . 1 . . . . . . . . 4165 1
659 . 1 1 62 62 GLU CG C 13 38.47 . . 1 . . . . . . . . 4165 1
660 . 1 1 63 63 LYS N N 15 121.62 . . 1 . . . . . . . . 4165 1
661 . 1 1 63 63 LYS H H 1 8.31 . . 1 . . . . . . . . 4165 1
662 . 1 1 63 63 LYS HA H 1 3.97 . . 1 . . . . . . . . 4165 1
663 . 1 1 63 63 LYS HB2 H 1 1.73 . . 2 . . . . . . . . 4165 1
664 . 1 1 63 63 LYS HB3 H 1 2.08 . . 2 . . . . . . . . 4165 1
665 . 1 1 63 63 LYS HD2 H 1 1.68 . . 2 . . . . . . . . 4165 1
666 . 1 1 63 63 LYS HD3 H 1 1.49 . . 2 . . . . . . . . 4165 1
667 . 1 1 63 63 LYS HE2 H 1 3.04 . . 2 . . . . . . . . 4165 1
668 . 1 1 63 63 LYS HE3 H 1 3.16 . . 2 . . . . . . . . 4165 1
669 . 1 1 63 63 LYS HG2 H 1 1.70 . . 2 . . . . . . . . 4165 1
670 . 1 1 63 63 LYS HG3 H 1 1.44 . . 2 . . . . . . . . 4165 1
671 . 1 1 63 63 LYS CA C 13 60.55 . . 1 . . . . . . . . 4165 1
672 . 1 1 63 63 LYS CB C 13 32.93 . . 1 . . . . . . . . 4165 1
673 . 1 1 63 63 LYS CD C 13 31.27 . . 1 . . . . . . . . 4165 1
674 . 1 1 63 63 LYS CE C 13 42.27 . . 1 . . . . . . . . 4165 1
675 . 1 1 63 63 LYS CG C 13 26.58 . . 1 . . . . . . . . 4165 1
676 . 1 1 64 64 ILE N N 15 119.65 . . 1 . . . . . . . . 4165 1
677 . 1 1 64 64 ILE H H 1 8.51 . . 1 . . . . . . . . 4165 1
678 . 1 1 64 64 ILE HA H 1 3.16 . . 1 . . . . . . . . 4165 1
679 . 1 1 64 64 ILE HB H 1 1.35 . . 1 . . . . . . . . 4165 1
680 . 1 1 64 64 ILE HD11 H 1 0.38 . . 1 . . . . . . . . 4165 1
681 . 1 1 64 64 ILE HD12 H 1 0.38 . . 1 . . . . . . . . 4165 1
682 . 1 1 64 64 ILE HD13 H 1 0.38 . . 1 . . . . . . . . 4165 1
683 . 1 1 64 64 ILE HG12 H 1 -0.53 . . 2 . . . . . . . . 4165 1
684 . 1 1 64 64 ILE HG13 H 1 1.15 . . 2 . . . . . . . . 4165 1
685 . 1 1 64 64 ILE HG21 H 1 0.38 . . 1 . . . . . . . . 4165 1
686 . 1 1 64 64 ILE HG22 H 1 0.38 . . 1 . . . . . . . . 4165 1
687 . 1 1 64 64 ILE HG23 H 1 0.38 . . 1 . . . . . . . . 4165 1
688 . 1 1 64 64 ILE CA C 13 65.05 . . 1 . . . . . . . . 4165 1
689 . 1 1 64 64 ILE CB C 13 38.38 . . 1 . . . . . . . . 4165 1
690 . 1 1 64 64 ILE CD1 C 13 16.33 . . 1 . . . . . . . . 4165 1
691 . 1 1 64 64 ILE CG1 C 13 28.23 . . 1 . . . . . . . . 4165 1
692 . 1 1 64 64 ILE CG2 C 13 17.08 . . 1 . . . . . . . . 4165 1
693 . 1 1 65 65 ALA N N 15 121.14 . . 1 . . . . . . . . 4165 1
694 . 1 1 65 65 ALA H H 1 7.27 . . 1 . . . . . . . . 4165 1
695 . 1 1 65 65 ALA HA H 1 4.03 . . 1 . . . . . . . . 4165 1
696 . 1 1 65 65 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 4165 1
697 . 1 1 65 65 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 4165 1
698 . 1 1 65 65 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 4165 1
699 . 1 1 65 65 ALA CA C 13 54.87 . . 1 . . . . . . . . 4165 1
700 . 1 1 65 65 ALA CB C 13 17.72 . . 1 . . . . . . . . 4165 1
701 . 1 1 66 66 GLU N N 15 116.76 . . 1 . . . . . . . . 4165 1
702 . 1 1 66 66 GLU H H 1 7.48 . . 1 . . . . . . . . 4165 1
703 . 1 1 66 66 GLU HA H 1 4.08 . . 1 . . . . . . . . 4165 1
704 . 1 1 66 66 GLU HB2 H 1 2.09 . . 2 . . . . . . . . 4165 1
705 . 1 1 66 66 GLU HB3 H 1 2.11 . . 2 . . . . . . . . 4165 1
706 . 1 1 66 66 GLU HG2 H 1 2.27 . . 2 . . . . . . . . 4165 1
707 . 1 1 66 66 GLU HG3 H 1 2.38 . . 2 . . . . . . . . 4165 1
708 . 1 1 66 66 GLU CA C 13 58.27 . . 1 . . . . . . . . 4165 1
709 . 1 1 66 66 GLU CB C 13 29.70 . . 1 . . . . . . . . 4165 1
710 . 1 1 66 66 GLU CG C 13 36.08 . . 1 . . . . . . . . 4165 1
711 . 1 1 67 67 LEU N N 15 119.80 . . 1 . . . . . . . . 4165 1
712 . 1 1 67 67 LEU H H 1 7.67 . . 1 . . . . . . . . 4165 1
713 . 1 1 67 67 LEU HA H 1 4.15 . . 1 . . . . . . . . 4165 1
714 . 1 1 67 67 LEU HB2 H 1 1.37 . . 1 . . . . . . . . 4165 1
715 . 1 1 67 67 LEU HB3 H 1 1.76 . . 1 . . . . . . . . 4165 1
716 . 1 1 67 67 LEU HD11 H 1 0.70 . . 2 . . . . . . . . 4165 1
717 . 1 1 67 67 LEU HD12 H 1 0.70 . . 2 . . . . . . . . 4165 1
718 . 1 1 67 67 LEU HD13 H 1 0.70 . . 2 . . . . . . . . 4165 1
719 . 1 1 67 67 LEU HD21 H 1 0.83 . . 2 . . . . . . . . 4165 1
720 . 1 1 67 67 LEU HD22 H 1 0.83 . . 2 . . . . . . . . 4165 1
721 . 1 1 67 67 LEU HD23 H 1 0.83 . . 2 . . . . . . . . 4165 1
722 . 1 1 67 67 LEU HG H 1 1.79 . . 1 . . . . . . . . 4165 1
723 . 1 1 67 67 LEU CA C 13 56.50 . . 1 . . . . . . . . 4165 1
724 . 1 1 67 67 LEU CB C 13 42.47 . . 1 . . . . . . . . 4165 1
725 . 1 1 67 67 LEU CD1 C 13 25.77 . . 2 . . . . . . . . 4165 1
726 . 1 1 67 67 LEU CD2 C 13 23.35 . . 2 . . . . . . . . 4165 1
727 . 1 1 67 67 LEU CG C 13 26.58 . . 1 . . . . . . . . 4165 1
728 . 1 1 68 68 GLN N N 15 116.78 . . 1 . . . . . . . . 4165 1
729 . 1 1 68 68 GLN NE2 N 15 111.53 . . 1 . . . . . . . . 4165 1
730 . 1 1 68 68 GLN H H 1 7.80 . . 1 . . . . . . . . 4165 1
731 . 1 1 68 68 GLN HA H 1 4.16 . . 1 . . . . . . . . 4165 1
732 . 1 1 68 68 GLN HB2 H 1 2.11 . . 2 . . . . . . . . 4165 1
733 . 1 1 68 68 GLN HB3 H 1 1.95 . . 2 . . . . . . . . 4165 1
734 . 1 1 68 68 GLN HE21 H 1 6.73 . . 2 . . . . . . . . 4165 1
735 . 1 1 68 68 GLN HE22 H 1 7.17 . . 2 . . . . . . . . 4165 1
736 . 1 1 68 68 GLN HG2 H 1 2.29 . . 2 . . . . . . . . 4165 1
737 . 1 1 68 68 GLN HG3 H 1 2.39 . . 2 . . . . . . . . 4165 1
738 . 1 1 68 68 GLN CA C 13 56.30 . . 1 . . . . . . . . 4165 1
739 . 1 1 68 68 GLN CB C 13 28.35 . . 1 . . . . . . . . 4165 1
740 . 1 1 68 68 GLN CG C 13 33.84 . . 1 . . . . . . . . 4165 1
741 . 1 1 69 69 LYS N N 15 120.16 . . 1 . . . . . . . . 4165 1
742 . 1 1 69 69 LYS H H 1 7.57 . . 1 . . . . . . . . 4165 1
743 . 1 1 69 69 LYS HA H 1 4.17 . . 1 . . . . . . . . 4165 1
744 . 1 1 69 69 LYS HB2 H 1 1.84 . . 2 . . . . . . . . 4165 1
745 . 1 1 69 69 LYS HD2 H 1 1.67 . . 2 . . . . . . . . 4165 1
746 . 1 1 69 69 LYS HG2 H 1 1.42 . . 2 . . . . . . . . 4165 1
747 . 1 1 69 69 LYS HG3 H 1 1.46 . . 2 . . . . . . . . 4165 1
748 . 1 1 69 69 LYS CA C 13 57.33 . . 1 . . . . . . . . 4165 1
749 . 1 1 69 69 LYS CB C 13 32.78 . . 1 . . . . . . . . 4165 1
750 . 1 1 69 69 LYS CD C 13 29.11 . . 1 . . . . . . . . 4165 1
751 . 1 1 69 69 LYS CE C 13 42.40 . . 1 . . . . . . . . 4165 1
752 . 1 1 69 69 LYS CG C 13 24.63 . . 1 . . . . . . . . 4165 1
753 . 1 1 70 70 ASP N N 15 120.34 . . 1 . . . . . . . . 4165 1
754 . 1 1 70 70 ASP H H 1 8.20 . . 1 . . . . . . . . 4165 1
755 . 1 1 70 70 ASP HA H 1 4.65 . . 1 . . . . . . . . 4165 1
756 . 1 1 70 70 ASP HB2 H 1 2.76 . . 2 . . . . . . . . 4165 1
757 . 1 1 70 70 ASP HB3 H 1 2.58 . . 2 . . . . . . . . 4165 1
758 . 1 1 70 70 ASP CB C 13 41.40 . . 1 . . . . . . . . 4165 1
759 . 1 1 71 71 ILE N N 15 120.35 . . 1 . . . . . . . . 4165 1
760 . 1 1 71 71 ILE H H 1 7.81 . . 1 . . . . . . . . 4165 1
761 . 1 1 71 71 ILE HA H 1 4.12 . . 1 . . . . . . . . 4165 1
762 . 1 1 71 71 ILE HB H 1 1.81 . . 1 . . . . . . . . 4165 1
763 . 1 1 71 71 ILE HD11 H 1 0.78 . . 1 . . . . . . . . 4165 1
764 . 1 1 71 71 ILE HD12 H 1 0.78 . . 1 . . . . . . . . 4165 1
765 . 1 1 71 71 ILE HD13 H 1 0.78 . . 1 . . . . . . . . 4165 1
766 . 1 1 71 71 ILE HG12 H 1 1.10 . . 2 . . . . . . . . 4165 1
767 . 1 1 71 71 ILE HG13 H 1 1.34 . . 2 . . . . . . . . 4165 1
768 . 1 1 71 71 ILE HG21 H 1 0.82 . . 1 . . . . . . . . 4165 1
769 . 1 1 71 71 ILE HG22 H 1 0.82 . . 1 . . . . . . . . 4165 1
770 . 1 1 71 71 ILE HG23 H 1 0.82 . . 1 . . . . . . . . 4165 1
771 . 1 1 71 71 ILE CA C 13 61.30 . . 1 . . . . . . . . 4165 1
772 . 1 1 71 71 ILE CB C 13 38.64 . . 1 . . . . . . . . 4165 1
773 . 1 1 71 71 ILE CD1 C 13 13.00 . . 1 . . . . . . . . 4165 1
774 . 1 1 71 71 ILE CG1 C 13 27.07 . . 1 . . . . . . . . 4165 1
775 . 1 1 71 71 ILE CG2 C 13 17.43 . . 1 . . . . . . . . 4165 1
776 . 1 1 72 72 HIS N N 15 122.82 . . 1 . . . . . . . . 4165 1
777 . 1 1 72 72 HIS H H 1 8.45 . . 1 . . . . . . . . 4165 1
778 . 1 1 72 72 HIS HD2 H 1 7.23 . . 1 . . . . . . . . 4165 1
779 . 1 1 72 72 HIS HE1 H 1 8.52 . . 1 . . . . . . . . 4165 1
780 . 1 1 72 72 HIS CD2 C 13 120.13 . . 1 . . . . . . . . 4165 1
781 . 1 1 72 72 HIS CE1 C 13 136.33 . . 1 . . . . . . . . 4165 1
782 . 1 1 73 73 ASP N N 15 121.47 . . 1 . . . . . . . . 4165 1
783 . 1 1 73 73 ASP H H 1 8.32 . . 1 . . . . . . . . 4165 1
784 . 1 1 74 74 GLY N N 15 115.84 . . 1 . . . . . . . . 4165 1
785 . 1 1 74 74 GLY H H 1 7.90 . . 1 . . . . . . . . 4165 1
786 . 1 1 74 74 GLY HA2 H 1 3.73 . . 2 . . . . . . . . 4165 1
stop_
save_
###################################
# 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_two
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_two
_Assigned_chem_shift_list.Entry_ID 4165
_Assigned_chem_shift_list.ID 2
_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 . 4165 2
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 . 2 2 1 1 DG H8 H 1 7.79 . . 1 . . . . . . . . 4165 2
2 . 2 2 1 1 DG H1' H 1 5.50 . . 1 . . . . . . . . 4165 2
3 . 2 2 1 1 DG H2' H 1 2.39 . . 1 . . . . . . . . 4165 2
4 . 2 2 1 1 DG H2'' H 1 2.63 . . 1 . . . . . . . . 4165 2
5 . 2 2 1 1 DG H3' H 1 4.73 . . 1 . . . . . . . . 4165 2
6 . 2 2 1 1 DG H4' H 1 4.13 . . 1 . . . . . . . . 4165 2
7 . 2 2 2 2 DA H2 H 1 7.81 . . 1 . . . . . . . . 4165 2
8 . 2 2 2 2 DA H8 H 1 8.10 . . 1 . . . . . . . . 4165 2
9 . 2 2 2 2 DA H1' H 1 6.17 . . 1 . . . . . . . . 4165 2
10 . 2 2 2 2 DA H2' H 1 2.53 . . 1 . . . . . . . . 4165 2
11 . 2 2 2 2 DA H2'' H 1 2.93 . . 1 . . . . . . . . 4165 2
12 . 2 2 2 2 DA H3' H 1 5.00 . . 1 . . . . . . . . 4165 2
13 . 2 2 2 2 DA H4' H 1 4.38 . . 1 . . . . . . . . 4165 2
14 . 2 2 3 3 DG H1 H 1 13.00 . . 1 . . . . . . . . 4165 2
15 . 2 2 3 3 DG H8 H 1 7.72 . . 1 . . . . . . . . 4165 2
16 . 2 2 3 3 DG H1' H 1 5.76 . . 1 . . . . . . . . 4165 2
17 . 2 2 3 3 DG H2' H 1 2.29 . . 1 . . . . . . . . 4165 2
18 . 2 2 3 3 DG H2'' H 1 2.62 . . 1 . . . . . . . . 4165 2
19 . 2 2 3 3 DG H3' H 1 4.86 . . 1 . . . . . . . . 4165 2
20 . 2 2 3 3 DG H4' H 1 4.32 . . 1 . . . . . . . . 4165 2
21 . 2 2 4 4 DT H3 H 1 13.54 . . 1 . . . . . . . . 4165 2
22 . 2 2 4 4 DT H6 H 1 6.75 . . 1 . . . . . . . . 4165 2
23 . 2 2 4 4 DT H71 H 1 1.32 . . 1 . . . . . . . . 4165 2
24 . 2 2 4 4 DT H72 H 1 1.32 . . 1 . . . . . . . . 4165 2
25 . 2 2 4 4 DT H73 H 1 1.32 . . 1 . . . . . . . . 4165 2
26 . 2 2 4 4 DT H1' H 1 5.58 . . 1 . . . . . . . . 4165 2
27 . 2 2 4 4 DT H2' H 1 2.00 . . 1 . . . . . . . . 4165 2
28 . 2 2 4 4 DT H2'' H 1 2.50 . . 1 . . . . . . . . 4165 2
29 . 2 2 4 4 DT H3' H 1 4.79 . . 1 . . . . . . . . 4165 2
30 . 2 2 4 4 DT H4' H 1 4.10 . . 1 . . . . . . . . 4165 2
31 . 2 2 5 5 DA H2 H 1 7.01 . . 1 . . . . . . . . 4165 2
32 . 2 2 5 5 DA H8 H 1 8.02 . . 1 . . . . . . . . 4165 2
33 . 2 2 5 5 DA H1' H 1 6.10 . . 1 . . . . . . . . 4165 2
34 . 2 2 5 5 DA H2' H 1 2.38 . . 1 . . . . . . . . 4165 2
35 . 2 2 5 5 DA H2'' H 1 2.85 . . 1 . . . . . . . . 4165 2
36 . 2 2 5 5 DA H3' H 1 4.90 . . 1 . . . . . . . . 4165 2
37 . 2 2 5 5 DA H4' H 1 4.37 . . 1 . . . . . . . . 4165 2
38 . 2 2 6 6 DG H1 H 1 12.55 . . 1 . . . . . . . . 4165 2
39 . 2 2 6 6 DG H8 H 1 7.42 . . 1 . . . . . . . . 4165 2
40 . 2 2 6 6 DG H1' H 1 5.73 . . 1 . . . . . . . . 4165 2
41 . 2 2 6 6 DG H2' H 1 2.13 . . 1 . . . . . . . . 4165 2
42 . 2 2 6 6 DG H2'' H 1 2.59 . . 1 . . . . . . . . 4165 2
43 . 2 2 6 6 DG H3' H 1 4.80 . . 1 . . . . . . . . 4165 2
44 . 2 2 6 6 DG H4' H 1 4.25 . . 1 . . . . . . . . 4165 2
45 . 2 2 7 7 DT H3 H 1 13.12 . . 1 . . . . . . . . 4165 2
46 . 2 2 7 7 DT H6 H 1 6.99 . . 1 . . . . . . . . 4165 2
47 . 2 2 7 7 DT H71 H 1 1.06 . . 1 . . . . . . . . 4165 2
48 . 2 2 7 7 DT H72 H 1 1.06 . . 1 . . . . . . . . 4165 2
49 . 2 2 7 7 DT H73 H 1 1.06 . . 1 . . . . . . . . 4165 2
50 . 2 2 7 7 DT H1' H 1 5.32 . . 1 . . . . . . . . 4165 2
51 . 2 2 7 7 DT H2' H 1 1.80 . . 1 . . . . . . . . 4165 2
52 . 2 2 7 7 DT H2'' H 1 2.11 . . 1 . . . . . . . . 4165 2
53 . 2 2 7 7 DT H3' H 1 4.75 . . 1 . . . . . . . . 4165 2
54 . 2 2 7 7 DT H4' H 1 4.02 . . 1 . . . . . . . . 4165 2
55 . 2 2 8 8 DA H2 H 1 6.68 . . 1 . . . . . . . . 4165 2
56 . 2 2 8 8 DA H8 H 1 8.20 . . 1 . . . . . . . . 4165 2
57 . 2 2 8 8 DA H1' H 1 5.35 . . 1 . . . . . . . . 4165 2
58 . 2 2 8 8 DA H2' H 1 2.65 . . 1 . . . . . . . . 4165 2
59 . 2 2 8 8 DA H2'' H 1 2.72 . . 1 . . . . . . . . 4165 2
60 . 2 2 8 8 DA H3' H 1 4.96 . . 1 . . . . . . . . 4165 2
61 . 2 2 8 8 DA H4' H 1 4.27 . . 1 . . . . . . . . 4165 2
62 . 2 2 9 9 DA H2 H 1 7.00 . . 1 . . . . . . . . 4165 2
63 . 2 2 9 9 DA H8 H 1 8.15 . . 1 . . . . . . . . 4165 2
64 . 2 2 9 9 DA H1' H 1 5.98 . . 1 . . . . . . . . 4165 2
65 . 2 2 9 9 DA H3' H 1 5.09 . . 1 . . . . . . . . 4165 2
66 . 2 2 9 9 DA H4' H 1 4.47 . . 1 . . . . . . . . 4165 2
67 . 2 2 10 10 DA H2 H 1 7.46 . . 1 . . . . . . . . 4165 2
68 . 2 2 10 10 DA H8 H 1 8.17 . . 1 . . . . . . . . 4165 2
69 . 2 2 10 10 DA H1' H 1 6.09 . . 1 . . . . . . . . 4165 2
70 . 2 2 10 10 DA H2' H 1 2.55 . . 1 . . . . . . . . 4165 2
71 . 2 2 10 10 DA H2'' H 1 2.92 . . 1 . . . . . . . . 4165 2
72 . 2 2 10 10 DA H3' H 1 5.01 . . 1 . . . . . . . . 4165 2
73 . 2 2 10 10 DA H4' H 1 4.48 . . 1 . . . . . . . . 4165 2
74 . 2 2 11 11 DT H3 H 1 13.58 . . 1 . . . . . . . . 4165 2
75 . 2 2 11 11 DT H6 H 1 7.05 . . 1 . . . . . . . . 4165 2
76 . 2 2 11 11 DT H71 H 1 1.27 . . 1 . . . . . . . . 4165 2
77 . 2 2 11 11 DT H72 H 1 1.27 . . 1 . . . . . . . . 4165 2
78 . 2 2 11 11 DT H73 H 1 1.27 . . 1 . . . . . . . . 4165 2
79 . 2 2 11 11 DT H1' H 1 5.79 . . 1 . . . . . . . . 4165 2
80 . 2 2 11 11 DT H2' H 1 1.95 . . 1 . . . . . . . . 4165 2
81 . 2 2 11 11 DT H2'' H 1 2.50 . . 1 . . . . . . . . 4165 2
82 . 2 2 11 11 DT H3' H 1 4.80 . . 1 . . . . . . . . 4165 2
83 . 2 2 11 11 DT H4' H 1 4.20 . . 1 . . . . . . . . 4165 2
84 . 2 2 12 12 DT H3 H 1 13.79 . . 1 . . . . . . . . 4165 2
85 . 2 2 12 12 DT H6 H 1 7.38 . . 1 . . . . . . . . 4165 2
86 . 2 2 12 12 DT H71 H 1 1.55 . . 1 . . . . . . . . 4165 2
87 . 2 2 12 12 DT H72 H 1 1.55 . . 1 . . . . . . . . 4165 2
88 . 2 2 12 12 DT H73 H 1 1.55 . . 1 . . . . . . . . 4165 2
89 . 2 2 12 12 DT H1' H 1 6.12 . . 1 . . . . . . . . 4165 2
90 . 2 2 12 12 DT H3' H 1 4.88 . . 1 . . . . . . . . 4165 2
91 . 2 2 12 12 DT H4' H 1 4.12 . . 1 . . . . . . . . 4165 2
92 . 2 2 13 13 DC H5 H 1 5.76 . . 1 . . . . . . . . 4165 2
93 . 2 2 13 13 DC H6 H 1 7.59 . . 1 . . . . . . . . 4165 2
94 . 2 2 13 13 DC H1' H 1 6.24 . . 1 . . . . . . . . 4165 2
95 . 2 2 13 13 DC H3' H 1 4.56 . . 1 . . . . . . . . 4165 2
96 . 2 2 13 13 DC H4' H 1 3.99 . . 1 . . . . . . . . 4165 2
stop_
save_
###################################
# 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_three
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_three
_Assigned_chem_shift_list.Entry_ID 4165
_Assigned_chem_shift_list.ID 3
_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 . 4165 3
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 . 3 3 1 1 DG H8 H 1 7.80 . . 1 . . . . . . . . 4165 3
2 . 3 3 1 1 DG H1' H 1 5.50 . . 1 . . . . . . . . 4165 3
3 . 3 3 1 1 DG H2' H 1 2.40 . . 1 . . . . . . . . 4165 3
4 . 3 3 1 1 DG H2'' H 1 2.64 . . 1 . . . . . . . . 4165 3
5 . 3 3 1 1 DG H3' H 1 4.77 . . 1 . . . . . . . . 4165 3
6 . 3 3 1 1 DG H4' H 1 4.12 . . 1 . . . . . . . . 4165 3
7 . 3 3 2 2 DA H2 H 1 7.42 . . 1 . . . . . . . . 4165 3
8 . 3 3 2 2 DA H8 H 1 8.13 . . 1 . . . . . . . . 4165 3
9 . 3 3 2 2 DA H1' H 1 5.89 . . 1 . . . . . . . . 4165 3
10 . 3 3 2 2 DA H3' H 1 5.04 . . 1 . . . . . . . . 4165 3
11 . 3 3 2 2 DA H4' H 1 4.39 . . 1 . . . . . . . . 4165 3
12 . 3 3 3 3 DA H2 H 1 7.61 . . 1 . . . . . . . . 4165 3
13 . 3 3 3 3 DA H8 H 1 8.12 . . 1 . . . . . . . . 4165 3
14 . 3 3 3 3 DA H1' H 1 6.20 . . 1 . . . . . . . . 4165 3
15 . 3 3 3 3 DA H2' H 1 2.59 . . 1 . . . . . . . . 4165 3
16 . 3 3 3 3 DA H2'' H 1 2.96 . . 1 . . . . . . . . 4165 3
17 . 3 3 3 3 DA H3' H 1 5.02 . . 1 . . . . . . . . 4165 3
18 . 3 3 3 3 DA H4' H 1 4.48 . . 1 . . . . . . . . 4165 3
19 . 3 3 4 4 DT H3 H 1 13.96 . . 1 . . . . . . . . 4165 3
20 . 3 3 4 4 DT H6 H 1 7.18 . . 1 . . . . . . . . 4165 3
21 . 3 3 4 4 DT H71 H 1 1.16 . . 1 . . . . . . . . 4165 3
22 . 3 3 4 4 DT H72 H 1 1.16 . . 1 . . . . . . . . 4165 3
23 . 3 3 4 4 DT H73 H 1 1.16 . . 1 . . . . . . . . 4165 3
24 . 3 3 4 4 DT H1' H 1 5.91 . . 1 . . . . . . . . 4165 3
25 . 3 3 4 4 DT H2' H 1 2.16 . . 1 . . . . . . . . 4165 3
26 . 3 3 4 4 DT H2'' H 1 2.52 . . 1 . . . . . . . . 4165 3
27 . 3 3 4 4 DT H3' H 1 4.93 . . 1 . . . . . . . . 4165 3
28 . 3 3 4 4 DT H4' H 1 4.28 . . 1 . . . . . . . . 4165 3
29 . 3 3 5 5 DT H3 H 1 13.94 . . 1 . . . . . . . . 4165 3
30 . 3 3 5 5 DT H6 H 1 6.71 . . 1 . . . . . . . . 4165 3
31 . 3 3 5 5 DT H71 H 1 1.38 . . 1 . . . . . . . . 4165 3
32 . 3 3 5 5 DT H72 H 1 1.38 . . 1 . . . . . . . . 4165 3
33 . 3 3 5 5 DT H73 H 1 1.38 . . 1 . . . . . . . . 4165 3
34 . 3 3 5 5 DT H1' H 1 6.15 . . 1 . . . . . . . . 4165 3
35 . 3 3 5 5 DT H3' H 1 4.89 . . 1 . . . . . . . . 4165 3
36 . 3 3 5 5 DT H4' H 1 4.22 . . 1 . . . . . . . . 4165 3
37 . 3 3 6 6 DT H3 H 1 13.55 . . 1 . . . . . . . . 4165 3
38 . 3 3 6 6 DT H6 H 1 6.57 . . 1 . . . . . . . . 4165 3
39 . 3 3 6 6 DT H71 H 1 0.42 . . 1 . . . . . . . . 4165 3
40 . 3 3 6 6 DT H72 H 1 0.42 . . 1 . . . . . . . . 4165 3
41 . 3 3 6 6 DT H73 H 1 0.42 . . 1 . . . . . . . . 4165 3
42 . 3 3 6 6 DT H1' H 1 5.90 . . 1 . . . . . . . . 4165 3
43 . 3 3 6 6 DT H2' H 1 1.92 . . 1 . . . . . . . . 4165 3
44 . 3 3 6 6 DT H2'' H 1 2.68 . . 1 . . . . . . . . 4165 3
45 . 3 3 6 6 DT H3' H 1 5.10 . . 1 . . . . . . . . 4165 3
46 . 3 3 6 6 DT H4' H 1 4.21 . . 1 . . . . . . . . 4165 3
47 . 3 3 7 7 DA H2 H 1 7.27 . . 1 . . . . . . . . 4165 3
48 . 3 3 7 7 DA H8 H 1 8.97 . . 1 . . . . . . . . 4165 3
49 . 3 3 7 7 DA H1' H 1 6.11 . . 1 . . . . . . . . 4165 3
50 . 3 3 7 7 DA H2' H 1 2.80 . . 1 . . . . . . . . 4165 3
51 . 3 3 7 7 DA H2'' H 1 2.96 . . 1 . . . . . . . . 4165 3
52 . 3 3 7 7 DA H3' H 1 5.15 . . 1 . . . . . . . . 4165 3
53 . 3 3 7 7 DA H4' H 1 4.52 . . 1 . . . . . . . . 4165 3
54 . 3 3 8 8 DC H5 H 1 3.42 . . 1 . . . . . . . . 4165 3
55 . 3 3 8 8 DC H6 H 1 6.39 . . 1 . . . . . . . . 4165 3
56 . 3 3 8 8 DC H1' H 1 5.54 . . 1 . . . . . . . . 4165 3
57 . 3 3 8 8 DC H2' H 1 1.87 . . 1 . . . . . . . . 4165 3
58 . 3 3 8 8 DC H2'' H 1 2.38 . . 1 . . . . . . . . 4165 3
59 . 3 3 8 8 DC H4' H 1 4.23 . . 1 . . . . . . . . 4165 3
60 . 3 3 9 9 DT H3 H 1 12.88 . . 1 . . . . . . . . 4165 3
61 . 3 3 9 9 DT H6 H 1 7.25 . . 1 . . . . . . . . 4165 3
62 . 3 3 9 9 DT H71 H 1 1.50 . . 1 . . . . . . . . 4165 3
63 . 3 3 9 9 DT H72 H 1 1.50 . . 1 . . . . . . . . 4165 3
64 . 3 3 9 9 DT H73 H 1 1.50 . . 1 . . . . . . . . 4165 3
65 . 3 3 9 9 DT H1' H 1 5.89 . . 1 . . . . . . . . 4165 3
66 . 3 3 9 9 DT H2' H 1 2.18 . . 1 . . . . . . . . 4165 3
67 . 3 3 9 9 DT H2'' H 1 2.68 . . 1 . . . . . . . . 4165 3
68 . 3 3 9 9 DT H3' H 1 4.81 . . 1 . . . . . . . . 4165 3
69 . 3 3 9 9 DT H4' H 1 4.11 . . 1 . . . . . . . . 4165 3
70 . 3 3 10 10 DA H2 H 1 6.89 . . 1 . . . . . . . . 4165 3
71 . 3 3 10 10 DA H8 H 1 8.11 . . 1 . . . . . . . . 4165 3
72 . 3 3 10 10 DA H1' H 1 5.60 . . 1 . . . . . . . . 4165 3
73 . 3 3 10 10 DA H3' H 1 4.92 . . 1 . . . . . . . . 4165 3
74 . 3 3 10 10 DA H4' H 1 4.28 . . 1 . . . . . . . . 4165 3
75 . 3 3 11 11 DC H5 H 1 5.06 . . 1 . . . . . . . . 4165 3
76 . 3 3 11 11 DC H6 H 1 7.38 . . 1 . . . . . . . . 4165 3
77 . 3 3 11 11 DC H1' H 1 5.81 . . 1 . . . . . . . . 4165 3
78 . 3 3 11 11 DC H2' H 1 1.97 . . 1 . . . . . . . . 4165 3
79 . 3 3 11 11 DC H2'' H 1 2.40 . . 1 . . . . . . . . 4165 3
80 . 3 3 11 11 DC H3' H 1 4.58 . . 1 . . . . . . . . 4165 3
81 . 3 3 11 11 DC H4' H 1 4.12 . . 1 . . . . . . . . 4165 3
82 . 3 3 12 12 DT H3 H 1 13.98 . . 1 . . . . . . . . 4165 3
83 . 3 3 12 12 DT H6 H 1 7.47 . . 1 . . . . . . . . 4165 3
84 . 3 3 12 12 DT H71 H 1 1.55 . . 1 . . . . . . . . 4165 3
85 . 3 3 12 12 DT H72 H 1 1.55 . . 1 . . . . . . . . 4165 3
86 . 3 3 12 12 DT H73 H 1 1.55 . . 1 . . . . . . . . 4165 3
87 . 3 3 12 12 DT H1' H 1 6.11 . . 1 . . . . . . . . 4165 3
88 . 3 3 12 12 DT H2' H 1 2.16 . . 1 . . . . . . . . 4165 3
89 . 3 3 12 12 DT H2'' H 1 2.50 . . 1 . . . . . . . . 4165 3
90 . 3 3 12 12 DT H3' H 1 4.90 . . 1 . . . . . . . . 4165 3
91 . 3 3 12 12 DT H4' H 1 4.12 . . 1 . . . . . . . . 4165 3
92 . 3 3 13 13 DC H5 H 1 5.76 . . 1 . . . . . . . . 4165 3
93 . 3 3 13 13 DC H6 H 1 7.61 . . 1 . . . . . . . . 4165 3
94 . 3 3 13 13 DC H1' H 1 6.24 . . 1 . . . . . . . . 4165 3
95 . 3 3 13 13 DC H3' H 1 4.55 . . 1 . . . . . . . . 4165 3
96 . 3 3 13 13 DC H4' H 1 3.99 . . 1 . . . . . . . . 4165 3
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