###################################
# 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_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 34650
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H TOCSY' . . . 34650 1
2 '2D 1H-1H NOESY' . . . 34650 1
3 '2D 1H-13C HSQC' . . . 34650 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 ILE H H 1 8.476 0.004 . . . . . . A 21 ILE H1 . 34650 1
2 . 1 . 1 1 1 ILE HA H 1 4.595 0.024 . . . . . . A 21 ILE HA . 34650 1
3 . 1 . 1 1 1 ILE HB H 1 1.907 0.000 . . . . . . A 21 ILE HB . 34650 1
4 . 1 . 1 1 1 ILE HG21 H 1 0.965 0.004 . . . . . . A 21 ILE HG21 . 34650 1
5 . 1 . 1 1 1 ILE HG22 H 1 0.965 0.004 . . . . . . A 21 ILE HG22 . 34650 1
6 . 1 . 1 1 1 ILE HG23 H 1 0.965 0.004 . . . . . . A 21 ILE HG23 . 34650 1
7 . 1 . 1 1 1 ILE HD11 H 1 0.883 0.000 . . . . . . A 21 ILE HD11 . 34650 1
8 . 1 . 1 1 1 ILE HD12 H 1 0.883 0.000 . . . . . . A 21 ILE HD12 . 34650 1
9 . 1 . 1 1 1 ILE HD13 H 1 0.883 0.000 . . . . . . A 21 ILE HD13 . 34650 1
10 . 1 . 1 1 1 ILE CG2 C 13 13.546 0.000 . . . . . . A 21 ILE CG2 . 34650 1
11 . 1 . 1 1 1 ILE CD1 C 13 9.779 0.000 . . . . . . A 21 ILE CD1 . 34650 1
12 . 1 . 1 2 2 GLU H H 1 8.825 0.007 . . . . . . A 22 GLU H . 34650 1
13 . 1 . 1 2 2 GLU HA H 1 4.046 0.007 . . . . . . A 22 GLU HA . 34650 1
14 . 1 . 1 2 2 GLU HB2 H 1 2.038 0.014 . . . . . . A 22 GLU HB2 . 34650 1
15 . 1 . 1 2 2 GLU HB3 H 1 2.038 0.014 . . . . . . A 22 GLU HB3 . 34650 1
16 . 1 . 1 2 2 GLU HG2 H 1 2.428 0.009 . . . . . . A 22 GLU HG2 . 34650 1
17 . 1 . 1 2 2 GLU HG3 H 1 2.428 0.009 . . . . . . A 22 GLU HG3 . 34650 1
18 . 1 . 1 2 2 GLU CA C 13 56.160 0.000 . . . . . . A 22 GLU CA . 34650 1
19 . 1 . 1 2 2 GLU CB C 13 28.073 0.000 . . . . . . A 22 GLU CB . 34650 1
20 . 1 . 1 2 2 GLU CG C 13 30.824 0.000 . . . . . . A 22 GLU CG . 34650 1
21 . 1 . 1 3 3 GLU H H 1 7.637 0.008 . . . . . . A 23 GLU H . 34650 1
22 . 1 . 1 3 3 GLU HA H 1 4.163 0.012 . . . . . . A 23 GLU HA . 34650 1
23 . 1 . 1 3 3 GLU HB2 H 1 2.080 0.033 . . . . . . A 23 GLU HB2 . 34650 1
24 . 1 . 1 3 3 GLU HB3 H 1 2.080 0.033 . . . . . . A 23 GLU HB3 . 34650 1
25 . 1 . 1 3 3 GLU CA C 13 57.283 0.000 . . . . . . A 23 GLU CA . 34650 1
26 . 1 . 1 3 3 GLU CB C 13 28.042 0.000 . . . . . . A 23 GLU CB . 34650 1
27 . 1 . 1 4 4 GLN H H 1 8.727 0.007 . . . . . . A 24 GLN H . 34650 1
28 . 1 . 1 4 4 GLN HA H 1 4.254 0.009 . . . . . . A 24 GLN HA . 34650 1
29 . 1 . 1 4 4 GLN HB2 H 1 2.147 0.015 . . . . . . A 24 GLN HB2 . 34650 1
30 . 1 . 1 4 4 GLN HB3 H 1 1.994 0.013 . . . . . . A 24 GLN HB3 . 34650 1
31 . 1 . 1 4 4 GLN HG2 H 1 2.359 0.013 . . . . . . A 24 GLN HG2 . 34650 1
32 . 1 . 1 4 4 GLN HG3 H 1 2.359 0.013 . . . . . . A 24 GLN HG3 . 34650 1
33 . 1 . 1 4 4 GLN CA C 13 54.093 0.000 . . . . . . A 24 GLN CA . 34650 1
34 . 1 . 1 4 4 GLN CB C 13 26.495 0.029 . . . . . . A 24 GLN CB . 34650 1
35 . 1 . 1 4 4 GLN CG C 13 30.922 0.000 . . . . . . A 24 GLN CG . 34650 1
36 . 1 . 1 5 5 ALA H H 1 8.135 0.004 . . . . . . A 25 ALA H . 34650 1
37 . 1 . 1 5 5 ALA HA H 1 4.169 0.007 . . . . . . A 25 ALA HA . 34650 1
38 . 1 . 1 5 5 ALA HB1 H 1 1.410 0.009 . . . . . . A 25 ALA HB1 . 34650 1
39 . 1 . 1 5 5 ALA HB2 H 1 1.410 0.009 . . . . . . A 25 ALA HB2 . 34650 1
40 . 1 . 1 5 5 ALA HB3 H 1 1.410 0.009 . . . . . . A 25 ALA HB3 . 34650 1
41 . 1 . 1 5 5 ALA CA C 13 51.682 0.000 . . . . . . A 25 ALA CA . 34650 1
42 . 1 . 1 5 5 ALA CB C 13 15.575 0.000 . . . . . . A 25 ALA CB . 34650 1
43 . 1 . 1 6 6 LYS H H 1 7.844 0.014 . . . . . . A 26 LYS H . 34650 1
44 . 1 . 1 6 6 LYS HA H 1 4.064 0.013 . . . . . . A 26 LYS HA . 34650 1
45 . 1 . 1 6 6 LYS HB2 H 1 1.813 0.017 . . . . . . A 26 LYS HB2 . 34650 1
46 . 1 . 1 6 6 LYS HB3 H 1 1.813 0.017 . . . . . . A 26 LYS HB3 . 34650 1
47 . 1 . 1 6 6 LYS HG2 H 1 1.432 0.013 . . . . . . A 26 LYS HG2 . 34650 1
48 . 1 . 1 6 6 LYS HG3 H 1 1.432 0.013 . . . . . . A 26 LYS HG3 . 34650 1
49 . 1 . 1 6 6 LYS HD2 H 1 1.661 0.008 . . . . . . A 26 LYS HD2 . 34650 1
50 . 1 . 1 6 6 LYS HD3 H 1 1.661 0.008 . . . . . . A 26 LYS HD3 . 34650 1
51 . 1 . 1 6 6 LYS HE2 H 1 2.945 0.004 . . . . . . A 26 LYS HE2 . 34650 1
52 . 1 . 1 6 6 LYS HE3 H 1 2.945 0.004 . . . . . . A 26 LYS HE3 . 34650 1
53 . 1 . 1 6 6 LYS CA C 13 56.238 0.000 . . . . . . A 26 LYS CA . 34650 1
54 . 1 . 1 6 6 LYS CB C 13 29.868 0.000 . . . . . . A 26 LYS CB . 34650 1
55 . 1 . 1 6 6 LYS CG C 13 22.297 0.000 . . . . . . A 26 LYS CG . 34650 1
56 . 1 . 1 6 6 LYS CD C 13 26.409 0.000 . . . . . . A 26 LYS CD . 34650 1
57 . 1 . 1 6 6 LYS CE C 13 39.534 0.000 . . . . . . A 26 LYS CE . 34650 1
58 . 1 . 1 7 7 THR H H 1 7.637 0.022 . . . . . . A 27 THR H . 34650 1
59 . 1 . 1 7 7 THR HA H 1 4.089 0.018 . . . . . . A 27 THR HA . 34650 1
60 . 1 . 1 7 7 THR HG21 H 1 1.166 0.000 . . . . . . A 27 THR HG21 . 34650 1
61 . 1 . 1 7 7 THR HG22 H 1 1.166 0.000 . . . . . . A 27 THR HG22 . 34650 1
62 . 1 . 1 7 7 THR HG23 H 1 1.166 0.000 . . . . . . A 27 THR HG23 . 34650 1
63 . 1 . 1 7 7 THR CA C 13 61.938 0.000 . . . . . . A 27 THR CA . 34650 1
64 . 1 . 1 7 7 THR CG2 C 13 18.631 0.000 . . . . . . A 27 THR CG2 . 34650 1
65 . 1 . 1 8 8 PHE H H 1 7.585 0.006 . . . . . . A 28 PHE H . 34650 1
66 . 1 . 1 8 8 PHE HA H 1 4.232 0.005 . . . . . . A 28 PHE HA . 34650 1
67 . 1 . 1 8 8 PHE HB2 H 1 3.097 0.007 . . . . . . A 28 PHE HB2 . 34650 1
68 . 1 . 1 8 8 PHE HB3 H 1 3.097 0.007 . . . . . . A 28 PHE HB3 . 34650 1
69 . 1 . 1 8 8 PHE HD1 H 1 7.093 0.003 . . . . . . A 28 PHE HD1 . 34650 1
70 . 1 . 1 8 8 PHE HD2 H 1 7.093 0.003 . . . . . . A 28 PHE HD2 . 34650 1
71 . 1 . 1 8 8 PHE HE1 H 1 7.171 0.017 . . . . . . A 28 PHE HE1 . 34650 1
72 . 1 . 1 8 8 PHE HE2 H 1 7.171 0.017 . . . . . . A 28 PHE HE2 . 34650 1
73 . 1 . 1 8 8 PHE CA C 13 57.766 0.000 . . . . . . A 28 PHE CA . 34650 1
74 . 1 . 1 8 8 PHE CB C 13 36.158 0.000 . . . . . . A 28 PHE CB . 34650 1
75 . 1 . 1 9 9 LEU H H 1 7.991 0.004 . . . . . . A 29 LEU H . 34650 1
76 . 1 . 1 9 9 LEU HA H 1 4.043 0.006 . . . . . . A 29 LEU HA . 34650 1
77 . 1 . 1 9 9 LEU HB2 H 1 1.694 0.081 . . . . . . A 29 LEU HB2 . 34650 1
78 . 1 . 1 9 9 LEU HB3 H 1 1.694 0.081 . . . . . . A 29 LEU HB3 . 34650 1
79 . 1 . 1 9 9 LEU HG H 1 1.569 0.058 . . . . . . A 29 LEU HG . 34650 1
80 . 1 . 1 9 9 LEU HD11 H 1 0.857 0.000 . . . . . . A 29 LEU HD11 . 34650 1
81 . 1 . 1 9 9 LEU HD12 H 1 0.857 0.000 . . . . . . A 29 LEU HD12 . 34650 1
82 . 1 . 1 9 9 LEU HD13 H 1 0.857 0.000 . . . . . . A 29 LEU HD13 . 34650 1
83 . 1 . 1 9 9 LEU HD21 H 1 0.848 0.000 . . . . . . A 29 LEU HD21 . 34650 1
84 . 1 . 1 9 9 LEU HD22 H 1 0.848 0.000 . . . . . . A 29 LEU HD22 . 34650 1
85 . 1 . 1 9 9 LEU HD23 H 1 0.848 0.000 . . . . . . A 29 LEU HD23 . 34650 1
86 . 1 . 1 9 9 LEU CA C 13 54.677 0.000 . . . . . . A 29 LEU CA . 34650 1
87 . 1 . 1 9 9 LEU CB C 13 39.339 0.000 . . . . . . A 29 LEU CB . 34650 1
88 . 1 . 1 9 9 LEU CG C 13 24.450 0.000 . . . . . . A 29 LEU CG . 34650 1
89 . 1 . 1 9 9 LEU CD1 C 13 21.356 0.000 . . . . . . A 29 LEU CD1 . 34650 1
90 . 1 . 1 9 9 LEU CD2 C 13 19.679 0.000 . . . . . . A 29 LEU CD2 . 34650 1
91 . 1 . 1 10 10 ASP H H 1 8.233 0.010 . . . . . . A 30 ASP H . 34650 1
92 . 1 . 1 10 10 ASP HA H 1 4.462 0.008 . . . . . . A 30 ASP HA . 34650 1
93 . 1 . 1 10 10 ASP HB2 H 1 2.915 0.005 . . . . . . A 30 ASP HB2 . 34650 1
94 . 1 . 1 10 10 ASP HB3 H 1 2.776 0.013 . . . . . . A 30 ASP HB3 . 34650 1
95 . 1 . 1 10 10 ASP CB C 13 36.358 0.018 . . . . . . A 30 ASP CB . 34650 1
96 . 1 . 1 11 11 LYS H H 1 7.781 0.006 . . . . . . A 31 LYS H . 34650 1
97 . 1 . 1 11 11 LYS HA H 1 4.020 0.007 . . . . . . A 31 LYS HA . 34650 1
98 . 1 . 1 11 11 LYS HB2 H 1 1.805 0.020 . . . . . . A 31 LYS HB2 . 34650 1
99 . 1 . 1 11 11 LYS HB3 H 1 1.805 0.020 . . . . . . A 31 LYS HB3 . 34650 1
100 . 1 . 1 11 11 LYS HG2 H 1 1.291 0.009 . . . . . . A 31 LYS HG2 . 34650 1
101 . 1 . 1 11 11 LYS HG3 H 1 1.291 0.009 . . . . . . A 31 LYS HG3 . 34650 1
102 . 1 . 1 11 11 LYS HD2 H 1 1.562 0.013 . . . . . . A 31 LYS HD2 . 34650 1
103 . 1 . 1 11 11 LYS HD3 H 1 1.562 0.013 . . . . . . A 31 LYS HD3 . 34650 1
104 . 1 . 1 11 11 LYS HE2 H 1 2.873 0.010 . . . . . . A 31 LYS HE2 . 34650 1
105 . 1 . 1 11 11 LYS HE3 H 1 2.873 0.010 . . . . . . A 31 LYS HE3 . 34650 1
106 . 1 . 1 11 11 LYS CA C 13 56.589 0.000 . . . . . . A 31 LYS CA . 34650 1
107 . 1 . 1 11 11 LYS CB C 13 29.500 0.000 . . . . . . A 31 LYS CB . 34650 1
108 . 1 . 1 11 11 LYS CG C 13 22.123 0.000 . . . . . . A 31 LYS CG . 34650 1
109 . 1 . 1 11 11 LYS CD C 13 26.232 0.000 . . . . . . A 31 LYS CD . 34650 1
110 . 1 . 1 11 11 LYS CE C 13 39.508 0.000 . . . . . . A 31 LYS CE . 34650 1
111 . 1 . 1 12 12 PHE H H 1 8.299 0.003 . . . . . . A 32 PHE H . 34650 1
112 . 1 . 1 12 12 PHE HA H 1 4.213 0.014 . . . . . . A 32 PHE HA . 34650 1
113 . 1 . 1 12 12 PHE HB2 H 1 3.038 0.014 . . . . . . A 32 PHE HB2 . 34650 1
114 . 1 . 1 12 12 PHE HB3 H 1 2.846 0.011 . . . . . . A 32 PHE HB3 . 34650 1
115 . 1 . 1 12 12 PHE HE1 H 1 7.185 0.001 . . . . . . A 32 PHE HE1 . 34650 1
116 . 1 . 1 12 12 PHE HE2 H 1 7.185 0.001 . . . . . . A 32 PHE HE2 . 34650 1
117 . 1 . 1 12 12 PHE CA C 13 58.087 0.000 . . . . . . A 32 PHE CA . 34650 1
118 . 1 . 1 12 12 PHE CB C 13 36.468 0.018 . . . . . . A 32 PHE CB . 34650 1
119 . 1 . 1 13 13 ASN H H 1 8.432 0.005 . . . . . . A 33 ASN H . 34650 1
120 . 1 . 1 13 13 ASN HA H 1 4.412 0.007 . . . . . . A 33 ASN HA . 34650 1
121 . 1 . 1 13 13 ASN HB2 H 1 2.863 0.009 . . . . . . A 33 ASN HB2 . 34650 1
122 . 1 . 1 13 13 ASN HB3 H 1 2.746 0.006 . . . . . . A 33 ASN HB3 . 34650 1
123 . 1 . 1 13 13 ASN CB C 13 35.976 0.000 . . . . . . A 33 ASN CB . 34650 1
124 . 1 . 1 14 14 HIS H H 1 8.000 0.013 . . . . . . A 34 HIS H . 34650 1
125 . 1 . 1 14 14 HIS HA H 1 4.344 0.005 . . . . . . A 34 HIS HA . 34650 1
126 . 1 . 1 14 14 HIS HB2 H 1 3.292 0.007 . . . . . . A 34 HIS HB2 . 34650 1
127 . 1 . 1 14 14 HIS HB3 H 1 3.240 0.006 . . . . . . A 34 HIS HB3 . 34650 1
128 . 1 . 1 14 14 HIS HD1 H 1 7.128 0.000 . . . . . . A 34 HIS HD1 . 34650 1
129 . 1 . 1 14 14 HIS CB C 13 25.384 0.011 . . . . . . A 34 HIS CB . 34650 1
130 . 1 . 1 15 15 GLU H H 1 8.153 0.005 . . . . . . A 35 GLU H . 34650 1
131 . 1 . 1 15 15 GLU HA H 1 4.104 0.008 . . . . . . A 35 GLU HA . 34650 1
132 . 1 . 1 15 15 GLU HB2 H 1 2.058 0.019 . . . . . . A 35 GLU HB2 . 34650 1
133 . 1 . 1 15 15 GLU HB3 H 1 2.058 0.019 . . . . . . A 35 GLU HB3 . 34650 1
134 . 1 . 1 15 15 GLU HG2 H 1 2.429 0.003 . . . . . . A 35 GLU HG2 . 34650 1
135 . 1 . 1 15 15 GLU HG3 H 1 2.429 0.003 . . . . . . A 35 GLU HG3 . 34650 1
136 . 1 . 1 15 15 GLU CA C 13 55.358 0.000 . . . . . . A 35 GLU CA . 34650 1
137 . 1 . 1 15 15 GLU CB C 13 25.353 0.000 . . . . . . A 35 GLU CB . 34650 1
138 . 1 . 1 15 15 GLU CG C 13 30.150 0.000 . . . . . . A 35 GLU CG . 34650 1
139 . 1 . 1 16 16 ALA H H 1 8.135 0.003 . . . . . . A 36 ALA H . 34650 1
140 . 1 . 1 16 16 ALA HA H 1 3.936 0.006 . . . . . . A 36 ALA HA . 34650 1
141 . 1 . 1 16 16 ALA HB1 H 1 1.257 0.009 . . . . . . A 36 ALA HB1 . 34650 1
142 . 1 . 1 16 16 ALA HB2 H 1 1.257 0.009 . . . . . . A 36 ALA HB2 . 34650 1
143 . 1 . 1 16 16 ALA HB3 H 1 1.257 0.009 . . . . . . A 36 ALA HB3 . 34650 1
144 . 1 . 1 16 16 ALA CA C 13 52.017 0.000 . . . . . . A 36 ALA CA . 34650 1
145 . 1 . 1 16 16 ALA CB C 13 14.936 0.000 . . . . . . A 36 ALA CB . 34650 1
146 . 1 . 1 17 17 GLU H H 1 7.803 0.005 . . . . . . A 37 GLU H . 34650 1
147 . 1 . 1 17 17 GLU HA H 1 4.037 0.004 . . . . . . A 37 GLU HA . 34650 1
148 . 1 . 1 17 17 GLU HB2 H 1 2.082 0.007 . . . . . . A 37 GLU HB2 . 34650 1
149 . 1 . 1 17 17 GLU HB3 H 1 2.082 0.007 . . . . . . A 37 GLU HB3 . 34650 1
150 . 1 . 1 17 17 GLU HG2 H 1 2.507 0.029 . . . . . . A 37 GLU HG2 . 34650 1
151 . 1 . 1 17 17 GLU HG3 H 1 2.507 0.029 . . . . . . A 37 GLU HG3 . 34650 1
152 . 1 . 1 17 17 GLU CA C 13 55.422 0.000 . . . . . . A 37 GLU CA . 34650 1
153 . 1 . 1 17 17 GLU CB C 13 25.277 0.000 . . . . . . A 37 GLU CB . 34650 1
154 . 1 . 1 17 17 GLU CG C 13 30.347 0.000 . . . . . . A 37 GLU CG . 34650 1
155 . 1 . 1 18 18 ASP H H 1 7.826 0.004 . . . . . . A 38 ASP H . 34650 1
156 . 1 . 1 18 18 ASP HA H 1 4.503 0.007 . . . . . . A 38 ASP HA . 34650 1
157 . 1 . 1 18 18 ASP HB2 H 1 2.860 0.011 . . . . . . A 38 ASP HB2 . 34650 1
158 . 1 . 1 18 18 ASP HB3 H 1 2.860 0.011 . . . . . . A 38 ASP HB3 . 34650 1
159 . 1 . 1 18 18 ASP CB C 13 35.213 0.000 . . . . . . A 38 ASP CB . 34650 1
160 . 1 . 1 19 19 LEU H H 1 7.774 0.011 . . . . . . A 39 LEU H . 34650 1
161 . 1 . 1 19 19 LEU HA H 1 4.062 0.009 . . . . . . A 39 LEU HA . 34650 1
162 . 1 . 1 19 19 LEU HB2 H 1 1.451 0.091 . . . . . . A 39 LEU HB2 . 34650 1
163 . 1 . 1 19 19 LEU HB3 H 1 1.451 0.091 . . . . . . A 39 LEU HB3 . 34650 1
164 . 1 . 1 19 19 LEU HG H 1 1.277 0.088 . . . . . . A 39 LEU HG . 34650 1
165 . 1 . 1 19 19 LEU HD11 H 1 0.757 0.004 . . . . . . A 39 LEU HD11 . 34650 1
166 . 1 . 1 19 19 LEU HD12 H 1 0.757 0.004 . . . . . . A 39 LEU HD12 . 34650 1
167 . 1 . 1 19 19 LEU HD13 H 1 0.757 0.004 . . . . . . A 39 LEU HD13 . 34650 1
168 . 1 . 1 19 19 LEU HD21 H 1 0.692 0.004 . . . . . . A 39 LEU HD21 . 34650 1
169 . 1 . 1 19 19 LEU HD22 H 1 0.692 0.004 . . . . . . A 39 LEU HD22 . 34650 1
170 . 1 . 1 19 19 LEU HD23 H 1 0.692 0.004 . . . . . . A 39 LEU HD23 . 34650 1
171 . 1 . 1 19 19 LEU CA C 13 54.284 0.000 . . . . . . A 39 LEU CA . 34650 1
172 . 1 . 1 19 19 LEU CB C 13 39.448 0.000 . . . . . . A 39 LEU CB . 34650 1
173 . 1 . 1 19 19 LEU CG C 13 24.116 0.000 . . . . . . A 39 LEU CG . 34650 1
174 . 1 . 1 19 19 LEU CD1 C 13 21.244 0.000 . . . . . . A 39 LEU CD1 . 34650 1
175 . 1 . 1 19 19 LEU CD2 C 13 19.859 0.000 . . . . . . A 39 LEU CD2 . 34650 1
176 . 1 . 1 20 20 PHE H H 1 7.724 0.009 . . . . . . A 40 PHE H . 34650 1
177 . 1 . 1 20 20 PHE HA H 1 4.384 0.005 . . . . . . A 40 PHE HA . 34650 1
178 . 1 . 1 20 20 PHE HB2 H 1 2.983 0.019 . . . . . . A 40 PHE HB2 . 34650 1
179 . 1 . 1 20 20 PHE HB3 H 1 2.863 0.019 . . . . . . A 40 PHE HB3 . 34650 1
180 . 1 . 1 20 20 PHE HD1 H 1 6.973 0.000 . . . . . . A 40 PHE HD1 . 34650 1
181 . 1 . 1 20 20 PHE HD2 H 1 6.973 0.000 . . . . . . A 40 PHE HD2 . 34650 1
182 . 1 . 1 20 20 PHE HE1 H 1 7.133 0.000 . . . . . . A 40 PHE HE1 . 34650 1
183 . 1 . 1 20 20 PHE HE2 H 1 7.133 0.000 . . . . . . A 40 PHE HE2 . 34650 1
184 . 1 . 1 20 20 PHE CB C 13 36.049 0.000 . . . . . . A 40 PHE CB . 34650 1
185 . 1 . 1 21 21 TYR H H 1 7.641 0.005 . . . . . . A 41 TYR H . 34650 1
186 . 1 . 1 21 21 TYR HA H 1 4.485 0.008 . . . . . . A 41 TYR HA . 34650 1
187 . 1 . 1 21 21 TYR HB2 H 1 3.096 0.007 . . . . . . A 41 TYR HB2 . 34650 1
188 . 1 . 1 21 21 TYR HB3 H 1 2.956 0.008 . . . . . . A 41 TYR HB3 . 34650 1
189 . 1 . 1 21 21 TYR HD1 H 1 7.219 0.000 . . . . . . A 41 TYR HD1 . 34650 1
190 . 1 . 1 21 21 TYR HD2 H 1 7.219 0.000 . . . . . . A 41 TYR HD2 . 34650 1
191 . 1 . 1 21 21 TYR HE1 H 1 6.989 0.000 . . . . . . A 41 TYR HE1 . 34650 1
192 . 1 . 1 21 21 TYR HE2 H 1 6.989 0.000 . . . . . . A 41 TYR HE2 . 34650 1
193 . 1 . 1 21 21 TYR CB C 13 36.322 0.018 . . . . . . A 41 TYR CB . 34650 1
194 . 1 . 1 22 22 GLN H H 1 7.627 0.007 . . . . . . A 42 GLN H . 34650 1
195 . 1 . 1 22 22 GLN HA H 1 4.266 0.003 . . . . . . A 42 GLN HA . 34650 1
196 . 1 . 1 22 22 GLN HB2 H 1 1.988 0.015 . . . . . . A 42 GLN HB2 . 34650 1
197 . 1 . 1 22 22 GLN HB3 H 1 1.988 0.015 . . . . . . A 42 GLN HB3 . 34650 1
198 . 1 . 1 22 22 GLN HG2 H 1 2.296 0.010 . . . . . . A 42 GLN HG2 . 34650 1
199 . 1 . 1 22 22 GLN HG3 H 1 2.296 0.010 . . . . . . A 42 GLN HG3 . 34650 1
200 . 1 . 1 22 22 GLN CA C 13 52.492 0.000 . . . . . . A 42 GLN CA . 34650 1
201 . 1 . 1 22 22 GLN CB C 13 26.705 0.000 . . . . . . A 42 GLN CB . 34650 1
202 . 1 . 1 22 22 GLN CG C 13 30.987 0.000 . . . . . . A 42 GLN CG . 34650 1
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