###################################
# 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_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5817
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 HNCA . . . 5817 1
2 HNCOCA . . . 5817 1
3 '13C HSQC' . . . 5817 1
4 '3D 15N-separated TOCSY' . . . 5817 1
5 '2D TOCSY' . . . 5817 1
6 15N-HSQC . . . 5817 1
7 15N-HMQC-J . . . 5817 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.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLU N N 15 123.670 0.015 . 1 . . . . . . . . . 5817 1
2 . 1 1 1 1 GLU H H 1 8.950 0.015 . 1 . . . . . . . . . 5817 1
3 . 1 1 1 1 GLU HA H 1 4.048 0.015 . 1 . . . . . . . . . 5817 1
4 . 1 1 1 1 GLU CB C 13 28.680 1.5 . 1 . . . . . . . . . 5817 1
5 . 1 1 1 1 GLU HB2 H 1 2.083 0.015 . 2 . . . . . . . . . 5817 1
6 . 1 1 1 1 GLU CG C 13 35.000 1.5 . 1 . . . . . . . . . 5817 1
7 . 1 1 1 1 GLU HG2 H 1 2.360 0.015 . 2 . . . . . . . . . 5817 1
8 . 1 1 2 2 GLU N N 15 123.835 0.015 . 1 . . . . . . . . . 5817 1
9 . 1 1 2 2 GLU H H 1 8.933 0.015 . 1 . . . . . . . . . 5817 1
10 . 1 1 2 2 GLU CA C 13 56.728 1.5 . 1 . . . . . . . . . 5817 1
11 . 1 1 2 2 GLU HA H 1 4.354 0.015 . 1 . . . . . . . . . 5817 1
12 . 1 1 2 2 GLU CB C 13 31.147 1.5 . 1 . . . . . . . . . 5817 1
13 . 1 1 2 2 GLU HB3 H 1 2.083 0.015 . 2 . . . . . . . . . 5817 1
14 . 1 1 2 2 GLU HB2 H 1 1.921 0.015 . 2 . . . . . . . . . 5817 1
15 . 1 1 2 2 GLU HG2 H 1 2.297 0.015 . 2 . . . . . . . . . 5817 1
16 . 1 1 3 3 ALA N N 15 125.267 0.015 . 1 . . . . . . . . . 5817 1
17 . 1 1 3 3 ALA H H 1 8.552 0.015 . 1 . . . . . . . . . 5817 1
18 . 1 1 3 3 ALA CA C 13 51.500 1.5 . 1 . . . . . . . . . 5817 1
19 . 1 1 3 3 ALA HA H 1 4.383 0.015 . 1 . . . . . . . . . 5817 1
20 . 1 1 3 3 ALA CB C 13 20.400 1.5 . 1 . . . . . . . . . 5817 1
21 . 1 1 3 3 ALA HB1 H 1 1.330 0.015 . 1 . . . . . . . . . 5817 1
22 . 1 1 3 3 ALA HB2 H 1 1.330 0.015 . 1 . . . . . . . . . 5817 1
23 . 1 1 3 3 ALA HB3 H 1 1.330 0.015 . 1 . . . . . . . . . 5817 1
24 . 1 1 4 4 CYS N N 15 120.312 0.015 . 1 . . . . . . . . . 5817 1
25 . 1 1 4 4 CYS H H 1 8.638 0.015 . 1 . . . . . . . . . 5817 1
26 . 1 1 4 4 CYS CA C 13 56.000 1.5 . 1 . . . . . . . . . 5817 1
27 . 1 1 4 4 CYS HA H 1 4.290 0.015 . 1 . . . . . . . . . 5817 1
28 . 1 1 4 4 CYS CB C 13 42.000 1.5 . 1 . . . . . . . . . 5817 1
29 . 1 1 4 4 CYS HB3 H 1 3.045 0.015 . 2 . . . . . . . . . 5817 1
30 . 1 1 4 4 CYS HB2 H 1 3.125 0.015 . 2 . . . . . . . . . 5817 1
31 . 1 1 5 5 GLU N N 15 129.841 0.015 . 1 . . . . . . . . . 5817 1
32 . 1 1 5 5 GLU H H 1 9.407 0.015 . 1 . . . . . . . . . 5817 1
33 . 1 1 5 5 GLU CA C 13 57.500 1.5 . 1 . . . . . . . . . 5817 1
34 . 1 1 5 5 GLU HA H 1 4.274 0.015 . 1 . . . . . . . . . 5817 1
35 . 1 1 5 5 GLU CB C 13 29.850 1.5 . 1 . . . . . . . . . 5817 1
36 . 1 1 5 5 GLU HB3 H 1 2.230 0.015 . 2 . . . . . . . . . 5817 1
37 . 1 1 5 5 GLU HB2 H 1 1.905 0.015 . 2 . . . . . . . . . 5817 1
38 . 1 1 5 5 GLU CG C 13 36.200 1.5 . 1 . . . . . . . . . 5817 1
39 . 1 1 5 5 GLU HG3 H 1 2.230 0.015 . 2 . . . . . . . . . 5817 1
40 . 1 1 5 5 GLU HG2 H 1 2.328 0.015 . 2 . . . . . . . . . 5817 1
41 . 1 1 6 6 LEU N N 15 121.456 0.015 . 1 . . . . . . . . . 5817 1
42 . 1 1 6 6 LEU H H 1 7.139 0.015 . 1 . . . . . . . . . 5817 1
43 . 1 1 6 6 LEU CA C 13 51.800 1.5 . 1 . . . . . . . . . 5817 1
44 . 1 1 6 6 LEU HA H 1 4.971 0.015 . 1 . . . . . . . . . 5817 1
45 . 1 1 6 6 LEU CB C 13 42.700 1.5 . 1 . . . . . . . . . 5817 1
46 . 1 1 6 6 LEU HB3 H 1 1.953 0.015 . 2 . . . . . . . . . 5817 1
47 . 1 1 6 6 LEU HB2 H 1 1.533 0.015 . 2 . . . . . . . . . 5817 1
48 . 1 1 6 6 LEU CG C 13 25.700 1.5 . 1 . . . . . . . . . 5817 1
49 . 1 1 6 6 LEU HG H 1 1.532 0.015 . 1 . . . . . . . . . 5817 1
50 . 1 1 6 6 LEU CD1 C 13 24.000 1.5 . 1 . . . . . . . . . 5817 1
51 . 1 1 6 6 LEU HD11 H 1 0.863 0.015 . 2 . . . . . . . . . 5817 1
52 . 1 1 6 6 LEU HD12 H 1 0.863 0.015 . 2 . . . . . . . . . 5817 1
53 . 1 1 6 6 LEU HD13 H 1 0.863 0.015 . 2 . . . . . . . . . 5817 1
54 . 1 1 6 6 LEU CD2 C 13 26.000 1.5 . 1 . . . . . . . . . 5817 1
55 . 1 1 7 7 PRO CA C 13 64.700 1.5 . 1 . . . . . . . . . 5817 1
56 . 1 1 7 7 PRO HA H 1 4.325 0.015 . 1 . . . . . . . . . 5817 1
57 . 1 1 7 7 PRO CB C 13 32.000 1.5 . 1 . . . . . . . . . 5817 1
58 . 1 1 7 7 PRO HB3 H 1 2.087 0.015 . 2 . . . . . . . . . 5817 1
59 . 1 1 7 7 PRO HB2 H 1 2.377 0.015 . 2 . . . . . . . . . 5817 1
60 . 1 1 7 7 PRO CG C 13 27.000 1.5 . 1 . . . . . . . . . 5817 1
61 . 1 1 7 7 PRO HG3 H 1 2.110 0.015 . 2 . . . . . . . . . 5817 1
62 . 1 1 7 7 PRO HG2 H 1 2.020 0.015 . 2 . . . . . . . . . 5817 1
63 . 1 1 7 7 PRO CD C 13 55.860 1.5 . 1 . . . . . . . . . 5817 1
64 . 1 1 7 7 PRO HD2 H 1 4.023 0.015 . 2 . . . . . . . . . 5817 1
65 . 1 1 8 8 GLU N N 15 118.025 0.015 . 1 . . . . . . . . . 5817 1
66 . 1 1 8 8 GLU H H 1 10.090 0.015 . 1 . . . . . . . . . 5817 1
67 . 1 1 8 8 GLU CA C 13 58.100 1.5 . 1 . . . . . . . . . 5817 1
68 . 1 1 8 8 GLU HA H 1 4.313 0.015 . 1 . . . . . . . . . 5817 1
69 . 1 1 8 8 GLU CB C 13 28.700 1.5 . 1 . . . . . . . . . 5817 1
70 . 1 1 8 8 GLU HB2 H 1 2.082 0.015 . 2 . . . . . . . . . 5817 1
71 . 1 1 8 8 GLU HG2 H 1 2.140 0.015 . 2 . . . . . . . . . 5817 1
72 . 1 1 9 9 CYS N N 15 118.025 0.015 . 1 . . . . . . . . . 5817 1
73 . 1 1 9 9 CYS H H 1 7.821 0.015 . 1 . . . . . . . . . 5817 1
74 . 1 1 9 9 CYS CA C 13 56.600 1.5 . 1 . . . . . . . . . 5817 1
75 . 1 1 9 9 CYS HA H 1 4.512 0.015 . 1 . . . . . . . . . 5817 1
76 . 1 1 9 9 CYS CB C 13 36.700 1.5 . 1 . . . . . . . . . 5817 1
77 . 1 1 9 9 CYS HB3 H 1 3.410 0.015 . 2 . . . . . . . . . 5817 1
78 . 1 1 9 9 CYS HB2 H 1 3.085 0.015 . 2 . . . . . . . . . 5817 1
79 . 1 1 10 10 GLN N N 15 123.362 0.015 . 1 . . . . . . . . . 5817 1
80 . 1 1 10 10 GLN H H 1 8.108 0.015 . 1 . . . . . . . . . 5817 1
81 . 1 1 10 10 GLN CA C 13 59.800 1.5 . 1 . . . . . . . . . 5817 1
82 . 1 1 10 10 GLN HA H 1 4.138 0.015 . 1 . . . . . . . . . 5817 1
83 . 1 1 10 10 GLN CB C 13 28.100 1.5 . 1 . . . . . . . . . 5817 1
84 . 1 1 10 10 GLN HB2 H 1 2.189 0.015 . 2 . . . . . . . . . 5817 1
85 . 1 1 10 10 GLN CG C 13 33.400 1.5 . 1 . . . . . . . . . 5817 1
86 . 1 1 10 10 GLN HG3 H 1 2.455 0.015 . 2 . . . . . . . . . 5817 1
87 . 1 1 10 10 GLN HG2 H 1 2.464 0.015 . 2 . . . . . . . . . 5817 1
88 . 1 1 10 10 GLN NE2 N 15 113.070 0.015 . 1 . . . . . . . . . 5817 1
89 . 1 1 10 10 GLN HE21 H 1 7.701 0.015 . 2 . . . . . . . . . 5817 1
90 . 1 1 10 10 GLN HE22 H 1 7.000 0.015 . 2 . . . . . . . . . 5817 1
91 . 1 1 11 11 GLU N N 15 117.263 0.015 . 1 . . . . . . . . . 5817 1
92 . 1 1 11 11 GLU H H 1 8.285 0.015 . 1 . . . . . . . . . 5817 1
93 . 1 1 11 11 GLU CA C 13 57.500 1.5 . 1 . . . . . . . . . 5817 1
94 . 1 1 11 11 GLU HA H 1 4.269 0.015 . 1 . . . . . . . . . 5817 1
95 . 1 1 11 11 GLU CB C 13 30.000 1.5 . 1 . . . . . . . . . 5817 1
96 . 1 1 11 11 GLU HB2 H 1 2.084 0.015 . 2 . . . . . . . . . 5817 1
97 . 1 1 11 11 GLU CG C 13 36.100 1.5 . 1 . . . . . . . . . 5817 1
98 . 1 1 11 11 GLU HG3 H 1 2.084 0.015 . 2 . . . . . . . . . 5817 1
99 . 1 1 11 11 GLU HG2 H 1 2.350 0.015 . 2 . . . . . . . . . 5817 1
100 . 1 1 12 12 ASP N N 15 118.025 0.015 . 1 . . . . . . . . . 5817 1
101 . 1 1 12 12 ASP H H 1 7.517 0.015 . 1 . . . . . . . . . 5817 1
102 . 1 1 12 12 ASP CA C 13 53.600 1.5 . 1 . . . . . . . . . 5817 1
103 . 1 1 12 12 ASP HA H 1 4.452 0.015 . 1 . . . . . . . . . 5817 1
104 . 1 1 12 12 ASP CB C 13 43.400 1.5 . 1 . . . . . . . . . 5817 1
105 . 1 1 12 12 ASP HB3 H 1 2.672 0.015 . 2 . . . . . . . . . 5817 1
106 . 1 1 12 12 ASP HB2 H 1 2.743 0.015 . 2 . . . . . . . . . 5817 1
107 . 1 1 13 13 ALA N N 15 125.649 0.015 . 1 . . . . . . . . . 5817 1
108 . 1 1 13 13 ALA H H 1 7.332 0.015 . 1 . . . . . . . . . 5817 1
109 . 1 1 13 13 ALA CA C 13 53.600 1.5 . 1 . . . . . . . . . 5817 1
110 . 1 1 13 13 ALA HA H 1 4.135 0.015 . 1 . . . . . . . . . 5817 1
111 . 1 1 13 13 ALA CB C 13 18.500 1.5 . 1 . . . . . . . . . 5817 1
112 . 1 1 13 13 ALA HB1 H 1 1.456 0.015 . 1 . . . . . . . . . 5817 1
113 . 1 1 13 13 ALA HB2 H 1 1.456 0.015 . 1 . . . . . . . . . 5817 1
114 . 1 1 13 13 ALA HB3 H 1 1.456 0.015 . 1 . . . . . . . . . 5817 1
115 . 1 1 14 14 GLY N N 15 114.595 0.015 . 1 . . . . . . . . . 5817 1
116 . 1 1 14 14 GLY H H 1 7.651 0.015 . 1 . . . . . . . . . 5817 1
117 . 1 1 14 14 GLY CA C 13 47.500 1.5 . 1 . . . . . . . . . 5817 1
118 . 1 1 14 14 GLY HA3 H 1 4.065 0.015 . 2 . . . . . . . . . 5817 1
119 . 1 1 14 14 GLY HA2 H 1 4.151 0.015 . 2 . . . . . . . . . 5817 1
120 . 1 1 15 15 ASN N N 15 121.456 0.015 . 1 . . . . . . . . . 5817 1
121 . 1 1 15 15 ASN H H 1 9.038 0.015 . 1 . . . . . . . . . 5817 1
122 . 1 1 15 15 ASN CA C 13 51.400 1.5 . 1 . . . . . . . . . 5817 1
123 . 1 1 15 15 ASN HA H 1 4.752 0.015 . 1 . . . . . . . . . 5817 1
124 . 1 1 15 15 ASN CB C 13 38.000 1.5 . 1 . . . . . . . . . 5817 1
125 . 1 1 15 15 ASN HB3 H 1 2.682 0.015 . 2 . . . . . . . . . 5817 1
126 . 1 1 15 15 ASN HB2 H 1 3.337 0.015 . 2 . . . . . . . . . 5817 1
127 . 1 1 15 15 ASN ND2 N 15 113.833 0.015 . 1 . . . . . . . . . 5817 1
128 . 1 1 15 15 ASN HD21 H 1 8.230 0.015 . 2 . . . . . . . . . 5817 1
129 . 1 1 15 15 ASN HD22 H 1 6.673 0.015 . 2 . . . . . . . . . 5817 1
130 . 1 1 16 16 LYS N N 15 112.308 0.015 . 1 . . . . . . . . . 5817 1
131 . 1 1 16 16 LYS H H 1 8.746 0.015 . 1 . . . . . . . . . 5817 1
132 . 1 1 16 16 LYS CA C 13 57.700 1.5 . 1 . . . . . . . . . 5817 1
133 . 1 1 16 16 LYS HA H 1 3.743 0.015 . 1 . . . . . . . . . 5817 1
134 . 1 1 16 16 LYS CB C 13 28.800 1.5 . 1 . . . . . . . . . 5817 1
135 . 1 1 16 16 LYS HB3 H 1 2.210 0.015 . 2 . . . . . . . . . 5817 1
136 . 1 1 16 16 LYS HB2 H 1 2.010 0.015 . 2 . . . . . . . . . 5817 1
137 . 1 1 16 16 LYS CG C 13 24.500 1.5 . 1 . . . . . . . . . 5817 1
138 . 1 1 16 16 LYS HG3 H 1 1.303 0.015 . 2 . . . . . . . . . 5817 1
139 . 1 1 16 16 LYS HG2 H 1 1.422 0.015 . 2 . . . . . . . . . 5817 1
140 . 1 1 16 16 LYS HD2 H 1 1.630 0.015 . 2 . . . . . . . . . 5817 1
141 . 1 1 16 16 LYS CE C 13 41.740 1.5 . 1 . . . . . . . . . 5817 1
142 . 1 1 16 16 LYS HE2 H 1 2.989 0.015 . 2 . . . . . . . . . 5817 1
143 . 1 1 17 17 VAL N N 15 119.169 0.015 . 1 . . . . . . . . . 5817 1
144 . 1 1 17 17 VAL H H 1 7.585 0.015 . 1 . . . . . . . . . 5817 1
145 . 1 1 17 17 VAL CA C 13 61.500 1.5 . 1 . . . . . . . . . 5817 1
146 . 1 1 17 17 VAL HA H 1 4.154 0.015 . 1 . . . . . . . . . 5817 1
147 . 1 1 17 17 VAL CB C 13 33.700 1.5 . 1 . . . . . . . . . 5817 1
148 . 1 1 17 17 VAL HB H 1 1.970 0.015 . 1 . . . . . . . . . 5817 1
149 . 1 1 17 17 VAL CG2 C 13 20.400 1.5 . 1 . . . . . . . . . 5817 1
150 . 1 1 17 17 VAL CG1 C 13 21.000 1.5 . 1 . . . . . . . . . 5817 1
151 . 1 1 17 17 VAL HG11 H 1 0.824 0.015 . 2 . . . . . . . . . 5817 1
152 . 1 1 17 17 VAL HG12 H 1 0.824 0.015 . 2 . . . . . . . . . 5817 1
153 . 1 1 17 17 VAL HG13 H 1 0.824 0.015 . 2 . . . . . . . . . 5817 1
154 . 1 1 18 18 CYS N N 15 130.604 0.015 . 1 . . . . . . . . . 5817 1
155 . 1 1 18 18 CYS H H 1 9.615 0.015 . 1 . . . . . . . . . 5817 1
156 . 1 1 18 18 CYS CA C 13 56.500 1.5 . 1 . . . . . . . . . 5817 1
157 . 1 1 18 18 CYS HA H 1 4.654 0.015 . 1 . . . . . . . . . 5817 1
158 . 1 1 18 18 CYS CB C 13 39.500 1.5 . 1 . . . . . . . . . 5817 1
159 . 1 1 18 18 CYS HB3 H 1 3.200 0.015 . 2 . . . . . . . . . 5817 1
160 . 1 1 18 18 CYS HB2 H 1 2.832 0.015 . 2 . . . . . . . . . 5817 1
161 . 1 1 19 19 SER N N 15 132.128 0.015 . 1 . . . . . . . . . 5817 1
162 . 1 1 19 19 SER H H 1 9.259 0.015 . 1 . . . . . . . . . 5817 1
163 . 1 1 19 19 SER CA C 13 56.300 1.5 . 1 . . . . . . . . . 5817 1
164 . 1 1 19 19 SER HA H 1 4.668 0.015 . 1 . . . . . . . . . 5817 1
165 . 1 1 19 19 SER CB C 13 62.430 1.5 . 1 . . . . . . . . . 5817 1
166 . 1 1 19 19 SER HB2 H 1 3.517 0.015 . 2 . . . . . . . . . 5817 1
167 . 1 1 20 20 LEU N N 15 127.935 0.015 . 1 . . . . . . . . . 5817 1
168 . 1 1 20 20 LEU H H 1 8.973 0.015 . 1 . . . . . . . . . 5817 1
169 . 1 1 20 20 LEU CA C 13 58.400 1.5 . 1 . . . . . . . . . 5817 1
170 . 1 1 20 20 LEU HA H 1 3.966 0.015 . 1 . . . . . . . . . 5817 1
171 . 1 1 20 20 LEU CB C 13 41.800 1.5 . 1 . . . . . . . . . 5817 1
172 . 1 1 20 20 LEU HB3 H 1 1.800 0.015 . 2 . . . . . . . . . 5817 1
173 . 1 1 20 20 LEU HB2 H 1 1.834 0.015 . 2 . . . . . . . . . 5817 1
174 . 1 1 20 20 LEU CG C 13 27.000 1.5 . 1 . . . . . . . . . 5817 1
175 . 1 1 20 20 LEU HG H 1 1.614 0.015 . 1 . . . . . . . . . 5817 1
176 . 1 1 20 20 LEU CD1 C 13 25.050 1.5 . 1 . . . . . . . . . 5817 1
177 . 1 1 20 20 LEU HD11 H 1 1.029 0.015 . 2 . . . . . . . . . 5817 1
178 . 1 1 20 20 LEU HD12 H 1 1.029 0.015 . 2 . . . . . . . . . 5817 1
179 . 1 1 20 20 LEU HD13 H 1 1.029 0.015 . 2 . . . . . . . . . 5817 1
180 . 1 1 20 20 LEU CD2 C 13 23.500 1.5 . 1 . . . . . . . . . 5817 1
181 . 1 1 21 21 GLN N N 15 120.693 0.015 . 1 . . . . . . . . . 5817 1
182 . 1 1 21 21 GLN H H 1 9.912 0.015 . 1 . . . . . . . . . 5817 1
183 . 1 1 21 21 GLN CA C 13 58.000 1.5 . 1 . . . . . . . . . 5817 1
184 . 1 1 21 21 GLN HA H 1 4.209 0.015 . 1 . . . . . . . . . 5817 1
185 . 1 1 21 21 GLN CB C 13 26.500 1.5 . 1 . . . . . . . . . 5817 1
186 . 1 1 21 21 GLN HB2 H 1 2.000 0.015 . 2 . . . . . . . . . 5817 1
187 . 1 1 21 21 GLN CG C 13 33.200 1.5 . 1 . . . . . . . . . 5817 1
188 . 1 1 21 21 GLN HG3 H 1 2.382 0.015 . 2 . . . . . . . . . 5817 1
189 . 1 1 21 21 GLN HG2 H 1 2.526 0.015 . 2 . . . . . . . . . 5817 1
190 . 1 1 21 21 GLN NE2 N 15 112.308 0.015 . 1 . . . . . . . . . 5817 1
191 . 1 1 21 21 GLN HE21 H 1 8.069 0.015 . 2 . . . . . . . . . 5817 1
192 . 1 1 21 21 GLN HE22 H 1 7.064 0.015 . 2 . . . . . . . . . 5817 1
193 . 1 1 22 22 CYS N N 15 115.738 0.015 . 1 . . . . . . . . . 5817 1
194 . 1 1 22 22 CYS H H 1 7.614 0.015 . 1 . . . . . . . . . 5817 1
195 . 1 1 22 22 CYS CA C 13 53.800 1.5 . 1 . . . . . . . . . 5817 1
196 . 1 1 22 22 CYS HA H 1 4.752 0.015 . 1 . . . . . . . . . 5817 1
197 . 1 1 22 22 CYS CB C 13 40.400 1.5 . 1 . . . . . . . . . 5817 1
198 . 1 1 22 22 CYS HB3 H 1 3.717 0.015 . 2 . . . . . . . . . 5817 1
199 . 1 1 22 22 CYS HB2 H 1 2.490 0.015 . 2 . . . . . . . . . 5817 1
200 . 1 1 23 23 ASN N N 15 122.599 0.015 . 1 . . . . . . . . . 5817 1
201 . 1 1 23 23 ASN H H 1 7.793 0.015 . 1 . . . . . . . . . 5817 1
202 . 1 1 23 23 ASN CA C 13 52.000 1.5 . 1 . . . . . . . . . 5817 1
203 . 1 1 23 23 ASN HA H 1 4.729 0.015 . 1 . . . . . . . . . 5817 1
204 . 1 1 23 23 ASN CB C 13 40.500 1.5 . 1 . . . . . . . . . 5817 1
205 . 1 1 23 23 ASN HB3 H 1 2.667 0.015 . 2 . . . . . . . . . 5817 1
206 . 1 1 23 23 ASN HB2 H 1 3.303 0.015 . 2 . . . . . . . . . 5817 1
207 . 1 1 23 23 ASN ND2 N 15 109.259 0.015 . 1 . . . . . . . . . 5817 1
208 . 1 1 23 23 ASN HD21 H 1 7.212 0.015 . 2 . . . . . . . . . 5817 1
209 . 1 1 23 23 ASN HD22 H 1 6.877 0.015 . 2 . . . . . . . . . 5817 1
210 . 1 1 24 24 ASN N N 15 114.595 0.015 . 1 . . . . . . . . . 5817 1
211 . 1 1 24 24 ASN H H 1 7.551 0.015 . 1 . . . . . . . . . 5817 1
212 . 1 1 24 24 ASN CA C 13 51.300 1.5 . 1 . . . . . . . . . 5817 1
213 . 1 1 24 24 ASN HA H 1 4.001 0.015 . 1 . . . . . . . . . 5817 1
214 . 1 1 24 24 ASN CB C 13 40.300 1.5 . 1 . . . . . . . . . 5817 1
215 . 1 1 24 24 ASN HB3 H 1 2.741 0.015 . 2 . . . . . . . . . 5817 1
216 . 1 1 24 24 ASN HB2 H 1 2.482 0.015 . 2 . . . . . . . . . 5817 1
217 . 1 1 24 24 ASN ND2 N 15 115.357 0.015 . 1 . . . . . . . . . 5817 1
218 . 1 1 24 24 ASN HD21 H 1 7.691 0.015 . 2 . . . . . . . . . 5817 1
219 . 1 1 24 24 ASN HD22 H 1 5.696 0.015 . 2 . . . . . . . . . 5817 1
220 . 1 1 25 25 HIS N N 15 121.456 0.015 . 1 . . . . . . . . . 5817 1
221 . 1 1 25 25 HIS H H 1 8.370 0.015 . 1 . . . . . . . . . 5817 1
222 . 1 1 25 25 HIS CA C 13 59.850 1.5 . 1 . . . . . . . . . 5817 1
223 . 1 1 25 25 HIS HA H 1 2.840 0.015 . 1 . . . . . . . . . 5817 1
224 . 1 1 25 25 HIS CB C 13 30.100 1.5 . 1 . . . . . . . . . 5817 1
225 . 1 1 25 25 HIS HB3 H 1 3.181 0.015 . 2 . . . . . . . . . 5817 1
226 . 1 1 25 25 HIS HB2 H 1 2.908 0.015 . 2 . . . . . . . . . 5817 1
227 . 1 1 25 25 HIS HD2 H 1 7.258 0.015 . 3 . . . . . . . . . 5817 1
228 . 1 1 25 25 HIS HE2 H 1 8.440 0.015 . 3 . . . . . . . . . 5817 1
229 . 1 1 25 25 HIS HE1 H 1 8.030 0.015 . 3 . . . . . . . . . 5817 1
230 . 1 1 26 26 ALA N N 15 122.599 0.015 . 1 . . . . . . . . . 5817 1
231 . 1 1 26 26 ALA H H 1 8.656 0.015 . 1 . . . . . . . . . 5817 1
232 . 1 1 26 26 ALA CA C 13 55.000 1.5 . 1 . . . . . . . . . 5817 1
233 . 1 1 26 26 ALA HA H 1 3.849 0.015 . 1 . . . . . . . . . 5817 1
234 . 1 1 26 26 ALA CB C 13 18.000 1.5 . 1 . . . . . . . . . 5817 1
235 . 1 1 26 26 ALA HB1 H 1 1.293 0.015 . 1 . . . . . . . . . 5817 1
236 . 1 1 26 26 ALA HB2 H 1 1.293 0.015 . 1 . . . . . . . . . 5817 1
237 . 1 1 26 26 ALA HB3 H 1 1.293 0.015 . 1 . . . . . . . . . 5817 1
238 . 1 1 27 27 CYS N N 15 110.783 0.015 . 1 . . . . . . . . . 5817 1
239 . 1 1 27 27 CYS H H 1 7.549 0.015 . 1 . . . . . . . . . 5817 1
240 . 1 1 27 27 CYS CA C 13 54.100 1.5 . 1 . . . . . . . . . 5817 1
241 . 1 1 27 27 CYS HA H 1 4.723 0.015 . 1 . . . . . . . . . 5817 1
242 . 1 1 27 27 CYS CB C 13 45.000 1.5 . 1 . . . . . . . . . 5817 1
243 . 1 1 27 27 CYS HB3 H 1 3.484 0.015 . 2 . . . . . . . . . 5817 1
244 . 1 1 27 27 CYS HB2 H 1 3.079 0.015 . 2 . . . . . . . . . 5817 1
245 . 1 1 28 28 GLY N N 15 109.259 0.015 . 1 . . . . . . . . . 5817 1
246 . 1 1 28 28 GLY H H 1 7.710 0.015 . 1 . . . . . . . . . 5817 1
247 . 1 1 28 28 GLY CA C 13 47.200 1.5 . 1 . . . . . . . . . 5817 1
248 . 1 1 28 28 GLY HA3 H 1 3.908 0.015 . 2 . . . . . . . . . 5817 1
249 . 1 1 28 28 GLY HA2 H 1 3.850 0.015 . 2 . . . . . . . . . 5817 1
250 . 1 1 29 29 TRP N N 15 116.882 0.015 . 1 . . . . . . . . . 5817 1
251 . 1 1 29 29 TRP H H 1 8.681 0.015 . 1 . . . . . . . . . 5817 1
252 . 1 1 29 29 TRP CA C 13 57.300 1.5 . 1 . . . . . . . . . 5817 1
253 . 1 1 29 29 TRP HA H 1 4.374 0.015 . 1 . . . . . . . . . 5817 1
254 . 1 1 29 29 TRP CB C 13 26.400 1.5 . 1 . . . . . . . . . 5817 1
255 . 1 1 29 29 TRP HB2 H 1 3.382 0.015 . 2 . . . . . . . . . 5817 1
256 . 1 1 29 29 TRP HD1 H 1 7.078 0.015 . 1 . . . . . . . . . 5817 1
257 . 1 1 29 29 TRP NE1 N 15 129.079 0.015 . 1 . . . . . . . . . 5817 1
258 . 1 1 29 29 TRP HE1 H 1 10.409 0.015 . 3 . . . . . . . . . 5817 1
259 . 1 1 29 29 TRP HZ2 H 1 7.562 0.015 . 3 . . . . . . . . . 5817 1
260 . 1 1 29 29 TRP HH2 H 1 7.282 0.015 . 1 . . . . . . . . . 5817 1
261 . 1 1 29 29 TRP HZ3 H 1 7.027 0.015 . 3 . . . . . . . . . 5817 1
262 . 1 1 29 29 TRP HE3 H 1 7.343 0.015 . 3 . . . . . . . . . 5817 1
263 . 1 1 30 30 ASP N N 15 118.025 0.015 . 1 . . . . . . . . . 5817 1
264 . 1 1 30 30 ASP H H 1 7.700 0.015 . 1 . . . . . . . . . 5817 1
265 . 1 1 30 30 ASP CA C 13 54.200 1.5 . 1 . . . . . . . . . 5817 1
266 . 1 1 30 30 ASP HA H 1 4.789 0.015 . 1 . . . . . . . . . 5817 1
267 . 1 1 30 30 ASP CB C 13 40.400 1.5 . 1 . . . . . . . . . 5817 1
268 . 1 1 30 30 ASP HB3 H 1 1.917 0.015 . 2 . . . . . . . . . 5817 1
269 . 1 1 30 30 ASP HB2 H 1 3.198 0.015 . 2 . . . . . . . . . 5817 1
270 . 1 1 31 31 GLY N N 15 105.447 0.015 . 1 . . . . . . . . . 5817 1
271 . 1 1 31 31 GLY H H 1 8.164 0.015 . 1 . . . . . . . . . 5817 1
272 . 1 1 31 31 GLY CA C 13 47.300 1.5 . 1 . . . . . . . . . 5817 1
273 . 1 1 31 31 GLY HA3 H 1 4.141 0.015 . 2 . . . . . . . . . 5817 1
274 . 1 1 31 31 GLY HA2 H 1 3.836 0.015 . 2 . . . . . . . . . 5817 1
275 . 1 1 32 32 GLY N N 15 105.828 0.015 . 1 . . . . . . . . . 5817 1
276 . 1 1 32 32 GLY H H 1 7.981 0.015 . 1 . . . . . . . . . 5817 1
277 . 1 1 32 32 GLY CA C 13 45.500 1.5 . 1 . . . . . . . . . 5817 1
278 . 1 1 32 32 GLY HA3 H 1 4.010 0.015 . 2 . . . . . . . . . 5817 1
279 . 1 1 32 32 GLY HA2 H 1 4.418 0.015 . 2 . . . . . . . . . 5817 1
280 . 1 1 33 33 ASP N N 15 118.788 0.015 . 1 . . . . . . . . . 5817 1
281 . 1 1 33 33 ASP H H 1 7.697 0.015 . 1 . . . . . . . . . 5817 1
282 . 1 1 33 33 ASP CA C 13 56.800 1.5 . 1 . . . . . . . . . 5817 1
283 . 1 1 33 33 ASP HA H 1 4.391 0.015 . 1 . . . . . . . . . 5817 1
284 . 1 1 33 33 ASP CB C 13 41.700 1.5 . 1 . . . . . . . . . 5817 1
285 . 1 1 33 33 ASP HB3 H 1 3.401 0.015 . 2 . . . . . . . . . 5817 1
286 . 1 1 33 33 ASP HB2 H 1 2.231 0.015 . 2 . . . . . . . . . 5817 1
287 . 1 1 34 34 CYS N N 15 116.882 0.015 . 1 . . . . . . . . . 5817 1
288 . 1 1 34 34 CYS H H 1 8.942 0.015 . 1 . . . . . . . . . 5817 1
289 . 1 1 34 34 CYS CA C 13 54.600 1.5 . 1 . . . . . . . . . 5817 1
290 . 1 1 34 34 CYS HA H 1 4.825 0.015 . 1 . . . . . . . . . 5817 1
291 . 1 1 34 34 CYS CB C 13 44.200 1.5 . 1 . . . . . . . . . 5817 1
292 . 1 1 34 34 CYS HB3 H 1 3.396 0.015 . 2 . . . . . . . . . 5817 1
293 . 1 1 34 34 CYS HB2 H 1 2.964 0.015 . 2 . . . . . . . . . 5817 1
294 . 1 1 35 35 SER N N 15 122.980 0.015 . 1 . . . . . . . . . 5817 1
295 . 1 1 35 35 SER H H 1 7.523 0.015 . 1 . . . . . . . . . 5817 1
296 . 1 1 35 35 SER CA C 13 60.200 1.5 . 1 . . . . . . . . . 5817 1
297 . 1 1 35 35 SER HA H 1 4.203 0.015 . 1 . . . . . . . . . 5817 1
298 . 1 1 35 35 SER CB C 13 64.300 1.5 . 1 . . . . . . . . . 5817 1
299 . 1 1 35 35 SER HB2 H 1 3.837 0.015 . 2 . . . . . . . . . 5817 1
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