###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 18463
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 18463 1
2 '2D 1H-13C HSQC aliphatic' . . . 18463 1
3 '2D 1H-13C HSQC aromatic' . . . 18463 1
4 '2D 1H-1H TOCSY' . . . 18463 1
5 '2D DQF-COSY' . . . 18463 1
6 '2D 1H-1H NOESY' . . . 18463 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 1 1 GLY HA2 H 1 3.644 0.01 . 2 . . . A 1 GLY HA2 . 18463 1
2 . 1 1 1 1 GLY HA3 H 1 3.798 0.01 . 2 . . . A 1 GLY HA3 . 18463 1
3 . 1 1 1 1 GLY CA C 13 43.080 0.01 . 1 . . . A 1 GLY CA . 18463 1
4 . 1 1 2 2 PHE H H 1 8.600 0.01 . 1 . . . A 2 PHE H . 18463 1
5 . 1 1 2 2 PHE HA H 1 3.971 0.01 . 1 . . . A 2 PHE HA . 18463 1
6 . 1 1 2 2 PHE HB2 H 1 2.738 0.01 . 2 . . . A 2 PHE HB2 . 18463 1
7 . 1 1 2 2 PHE HB3 H 1 2.864 0.01 . 2 . . . A 2 PHE HB3 . 18463 1
8 . 1 1 2 2 PHE HD1 H 1 6.821 0.01 . 3 . . . A 2 PHE HD1 . 18463 1
9 . 1 1 2 2 PHE HE1 H 1 7.154 0.01 . 3 . . . A 2 PHE HE1 . 18463 1
10 . 1 1 2 2 PHE CA C 13 59.042 0.01 . 1 . . . A 2 PHE CA . 18463 1
11 . 1 1 2 2 PHE CB C 13 37.320 0.01 . 1 . . . A 2 PHE CB . 18463 1
12 . 1 1 2 2 PHE CD1 C 13 131.247 0.01 . 3 . . . A 2 PHE CD1 . 18463 1
13 . 1 1 2 2 PHE CE1 C 13 132.126 0.01 . 3 . . . A 2 PHE CE1 . 18463 1
14 . 1 1 3 3 GLY H H 1 8.004 0.01 . 1 . . . A 3 GLY H . 18463 1
15 . 1 1 3 3 GLY HA2 H 1 3.424 0.01 . 2 . . . A 3 GLY HA2 . 18463 1
16 . 1 1 3 3 GLY HA3 H 1 4.699 0.01 . 2 . . . A 3 GLY HA3 . 18463 1
17 . 1 1 3 3 GLY CA C 13 44.873 0.01 . 1 . . . A 3 GLY CA . 18463 1
18 . 1 1 4 4 CYS H H 1 7.575 0.01 . 1 . . . A 4 CYS H . 18463 1
19 . 1 1 4 4 CYS HA H 1 4.773 0.01 . 1 . . . A 4 CYS HA . 18463 1
20 . 1 1 4 4 CYS HB2 H 1 2.578 0.01 . 2 . . . A 4 CYS HB2 . 18463 1
21 . 1 1 4 4 CYS HB3 H 1 3.363 0.01 . 2 . . . A 4 CYS HB3 . 18463 1
22 . 1 1 4 4 CYS CB C 13 37.787 0.01 . 1 . . . A 4 CYS CB . 18463 1
23 . 1 1 5 5 PRO HA H 1 4.689 0.01 . 1 . . . A 5 PRO HA . 18463 1
24 . 1 1 5 5 PRO HB2 H 1 2.075 0.01 . 2 . . . A 5 PRO HB2 . 18463 1
25 . 1 1 5 5 PRO HB3 H 1 2.170 0.01 . 2 . . . A 5 PRO HB3 . 18463 1
26 . 1 1 5 5 PRO HG2 H 1 1.868 0.01 . 2 . . . A 5 PRO HG2 . 18463 1
27 . 1 1 5 5 PRO HG3 H 1 1.999 0.01 . 2 . . . A 5 PRO HG3 . 18463 1
28 . 1 1 5 5 PRO HD2 H 1 3.433 0.01 . 2 . . . A 5 PRO HD2 . 18463 1
29 . 1 1 5 5 PRO HD3 H 1 3.679 0.01 . 2 . . . A 5 PRO HD3 . 18463 1
30 . 1 1 5 5 PRO CA C 13 63.109 0.01 . 1 . . . A 5 PRO CA . 18463 1
31 . 1 1 5 5 PRO CB C 13 35.383 0.01 . 1 . . . A 5 PRO CB . 18463 1
32 . 1 1 5 5 PRO CD C 13 50.918 0.01 . 1 . . . A 5 PRO CD . 18463 1
33 . 1 1 6 6 GLY H H 1 8.907 0.01 . 1 . . . A 6 GLY H . 18463 1
34 . 1 1 6 6 GLY HA2 H 1 3.803 0.01 . 2 . . . A 6 GLY HA2 . 18463 1
35 . 1 1 6 6 GLY HA3 H 1 4.468 0.01 . 2 . . . A 6 GLY HA3 . 18463 1
36 . 1 1 6 6 GLY CA C 13 46.594 0.01 . 1 . . . A 6 GLY CA . 18463 1
37 . 1 1 7 7 ASP H H 1 8.466 0.01 . 1 . . . A 7 ASP H . 18463 1
38 . 1 1 7 7 ASP HA H 1 5.007 0.01 . 1 . . . A 7 ASP HA . 18463 1
39 . 1 1 7 7 ASP HB2 H 1 2.549 0.01 . 2 . . . A 7 ASP HB2 . 18463 1
40 . 1 1 7 7 ASP HB3 H 1 3.184 0.01 . 2 . . . A 7 ASP HB3 . 18463 1
41 . 1 1 7 7 ASP CA C 13 52.476 0.01 . 1 . . . A 7 ASP CA . 18463 1
42 . 1 1 7 7 ASP CB C 13 40.265 0.01 . 1 . . . A 7 ASP CB . 18463 1
43 . 1 1 8 8 ALA H H 1 8.560 0.01 . 1 . . . A 8 ALA H . 18463 1
44 . 1 1 8 8 ALA HA H 1 3.997 0.01 . 1 . . . A 8 ALA HA . 18463 1
45 . 1 1 8 8 ALA HB1 H 1 1.589 0.01 . 1 . . . A 8 ALA HB1 . 18463 1
46 . 1 1 8 8 ALA HB2 H 1 1.589 0.01 . 1 . . . A 8 ALA HB2 . 18463 1
47 . 1 1 8 8 ALA HB3 H 1 1.589 0.01 . 1 . . . A 8 ALA HB3 . 18463 1
48 . 1 1 8 8 ALA CB C 13 18.899 0.01 . 1 . . . A 8 ALA CB . 18463 1
49 . 1 1 9 9 TYR H H 1 8.432 0.01 . 1 . . . A 9 TYR H . 18463 1
50 . 1 1 9 9 TYR HA H 1 4.310 0.01 . 1 . . . A 9 TYR HA . 18463 1
51 . 1 1 9 9 TYR HB2 H 1 3.165 0.01 . 2 . . . A 9 TYR HB2 . 18463 1
52 . 1 1 9 9 TYR HB3 H 1 3.242 0.01 . 2 . . . A 9 TYR HB3 . 18463 1
53 . 1 1 9 9 TYR HD2 H 1 7.205 0.01 . 3 . . . A 9 TYR HD2 . 18463 1
54 . 1 1 9 9 TYR HE2 H 1 6.830 0.01 . 3 . . . A 9 TYR HE2 . 18463 1
55 . 1 1 9 9 TYR CB C 13 37.479 0.01 . 1 . . . A 9 TYR CB . 18463 1
56 . 1 1 9 9 TYR CD2 C 13 133.266 0.01 . 3 . . . A 9 TYR CD2 . 18463 1
57 . 1 1 9 9 TYR CE2 C 13 118.280 0.01 . 3 . . . A 9 TYR CE2 . 18463 1
58 . 1 1 10 10 GLN H H 1 7.861 0.01 . 1 . . . A 10 GLN H . 18463 1
59 . 1 1 10 10 GLN HA H 1 3.944 0.01 . 1 . . . A 10 GLN HA . 18463 1
60 . 1 1 10 10 GLN HB2 H 1 2.046 0.01 . 2 . . . A 10 GLN HB2 . 18463 1
61 . 1 1 10 10 GLN HB3 H 1 2.151 0.01 . 2 . . . A 10 GLN HB3 . 18463 1
62 . 1 1 10 10 GLN HG2 H 1 2.252 0.01 . 2 . . . A 10 GLN HG2 . 18463 1
63 . 1 1 10 10 GLN HG3 H 1 2.488 0.01 . 2 . . . A 10 GLN HG3 . 18463 1
64 . 1 1 10 10 GLN HE21 H 1 7.642 0.01 . 2 . . . A 10 GLN HE21 . 18463 1
65 . 1 1 10 10 GLN HE22 H 1 6.953 0.01 . 2 . . . A 10 GLN HE22 . 18463 1
66 . 1 1 10 10 GLN CA C 13 58.635 0.01 . 1 . . . A 10 GLN CA . 18463 1
67 . 1 1 10 10 GLN CB C 13 28.359 0.01 . 1 . . . A 10 GLN CB . 18463 1
68 . 1 1 10 10 GLN CG C 13 34.081 0.01 . 1 . . . A 10 GLN CG . 18463 1
69 . 1 1 10 10 GLN NE2 N 15 111.968 0.01 . 1 . . . A 10 GLN NE2 . 18463 1
70 . 1 1 11 11 CYS H H 1 7.341 0.01 . 1 . . . A 11 CYS H . 18463 1
71 . 1 1 11 11 CYS HA H 1 4.887 0.01 . 1 . . . A 11 CYS HA . 18463 1
72 . 1 1 11 11 CYS HB2 H 1 2.654 0.01 . 2 . . . A 11 CYS HB2 . 18463 1
73 . 1 1 11 11 CYS HB3 H 1 3.611 0.01 . 2 . . . A 11 CYS HB3 . 18463 1
74 . 1 1 11 11 CYS CA C 13 58.558 0.01 . 1 . . . A 11 CYS CA . 18463 1
75 . 1 1 11 11 CYS CB C 13 35.874 0.01 . 1 . . . A 11 CYS CB . 18463 1
76 . 1 1 12 12 SER H H 1 8.513 0.01 . 1 . . . A 12 SER H . 18463 1
77 . 1 1 12 12 SER HA H 1 3.692 0.01 . 1 . . . A 12 SER HA . 18463 1
78 . 1 1 12 12 SER HB2 H 1 4.097 0.01 . 2 . . . A 12 SER HB2 . 18463 1
79 . 1 1 12 12 SER CB C 13 62.945 0.01 . 1 . . . A 12 SER CB . 18463 1
80 . 1 1 12 12 SER N N 15 117.382 0.01 . 1 . . . A 12 SER N . 18463 1
81 . 1 1 13 13 GLU H H 1 8.199 0.01 . 1 . . . A 13 GLU H . 18463 1
82 . 1 1 13 13 GLU HA H 1 3.830 0.01 . 1 . . . A 13 GLU HA . 18463 1
83 . 1 1 13 13 GLU HB2 H 1 1.986 0.01 . 2 . . . A 13 GLU HB2 . 18463 1
84 . 1 1 13 13 GLU HG2 H 1 1.912 0.01 . 2 . . . A 13 GLU HG2 . 18463 1
85 . 1 1 13 13 GLU HG3 H 1 2.113 0.01 . 2 . . . A 13 GLU HG3 . 18463 1
86 . 1 1 13 13 GLU CA C 13 59.100 0.01 . 1 . . . A 13 GLU CA . 18463 1
87 . 1 1 13 13 GLU CB C 13 29.300 0.01 . 1 . . . A 13 GLU CB . 18463 1
88 . 1 1 13 13 GLU CG C 13 33.089 0.01 . 1 . . . A 13 GLU CG . 18463 1
89 . 1 1 14 14 HIS H H 1 8.250 0.01 . 1 . . . A 14 HIS H . 18463 1
90 . 1 1 14 14 HIS HA H 1 4.267 0.01 . 1 . . . A 14 HIS HA . 18463 1
91 . 1 1 14 14 HIS HB2 H 1 3.312 0.01 . 2 . . . A 14 HIS HB2 . 18463 1
92 . 1 1 14 14 HIS HB3 H 1 3.607 0.01 . 2 . . . A 14 HIS HB3 . 18463 1
93 . 1 1 14 14 HIS HD2 H 1 6.779 0.01 . 1 . . . A 14 HIS HD2 . 18463 1
94 . 1 1 14 14 HIS HE1 H 1 8.039 0.01 . 1 . . . A 14 HIS HE1 . 18463 1
95 . 1 1 14 14 HIS CA C 13 58.635 0.01 . 1 . . . A 14 HIS CA . 18463 1
96 . 1 1 14 14 HIS CB C 13 27.075 0.01 . 1 . . . A 14 HIS CB . 18463 1
97 . 1 1 14 14 HIS CD2 C 13 118.805 0.01 . 1 . . . A 14 HIS CD2 . 18463 1
98 . 1 1 14 14 HIS CE1 C 13 136.687 0.01 . 1 . . . A 14 HIS CE1 . 18463 1
99 . 1 1 15 15 CYS H H 1 8.419 0.01 . 1 . . . A 15 CYS H . 18463 1
100 . 1 1 15 15 CYS HA H 1 3.744 0.01 . 1 . . . A 15 CYS HA . 18463 1
101 . 1 1 15 15 CYS HB2 H 1 2.449 0.01 . 2 . . . A 15 CYS HB2 . 18463 1
102 . 1 1 15 15 CYS HB3 H 1 2.687 0.01 . 2 . . . A 15 CYS HB3 . 18463 1
103 . 1 1 15 15 CYS CA C 13 59.908 0.01 . 1 . . . A 15 CYS CA . 18463 1
104 . 1 1 15 15 CYS CB C 13 39.359 0.01 . 1 . . . A 15 CYS CB . 18463 1
105 . 1 1 16 16 ARG H H 1 8.081 0.01 . 1 . . . A 16 ARG H . 18463 1
106 . 1 1 16 16 ARG HA H 1 3.595 0.01 . 1 . . . A 16 ARG HA . 18463 1
107 . 1 1 16 16 ARG HB2 H 1 1.682 0.01 . 2 . . . A 16 ARG HB2 . 18463 1
108 . 1 1 16 16 ARG HB3 H 1 1.756 0.01 . 2 . . . A 16 ARG HB3 . 18463 1
109 . 1 1 16 16 ARG HG2 H 1 1.274 0.01 . 2 . . . A 16 ARG HG2 . 18463 1
110 . 1 1 16 16 ARG HG3 H 1 1.476 0.01 . 2 . . . A 16 ARG HG3 . 18463 1
111 . 1 1 16 16 ARG HD2 H 1 3.120 0.01 . 2 . . . A 16 ARG HD2 . 18463 1
112 . 1 1 16 16 ARG HE H 1 7.167 0.01 . 1 . . . A 16 ARG HE . 18463 1
113 . 1 1 16 16 ARG CA C 13 60.189 0.01 . 1 . . . A 16 ARG CA . 18463 1
114 . 1 1 16 16 ARG CB C 13 30.308 0.01 . 1 . . . A 16 ARG CB . 18463 1
115 . 1 1 16 16 ARG CG C 13 29.305 0.01 . 1 . . . A 16 ARG CG . 18463 1
116 . 1 1 16 16 ARG CD C 13 43.558 0.01 . 1 . . . A 16 ARG CD . 18463 1
117 . 1 1 16 16 ARG NE N 15 84.487 0.01 . 1 . . . A 16 ARG NE . 18463 1
118 . 1 1 17 17 ALA H H 1 7.763 0.01 . 1 . . . A 17 ALA H . 18463 1
119 . 1 1 17 17 ALA HA H 1 4.079 0.01 . 1 . . . A 17 ALA HA . 18463 1
120 . 1 1 17 17 ALA HB1 H 1 1.439 0.01 . 1 . . . A 17 ALA HB1 . 18463 1
121 . 1 1 17 17 ALA HB2 H 1 1.439 0.01 . 1 . . . A 17 ALA HB2 . 18463 1
122 . 1 1 17 17 ALA HB3 H 1 1.439 0.01 . 1 . . . A 17 ALA HB3 . 18463 1
123 . 1 1 17 17 ALA CA C 13 54.160 0.01 . 1 . . . A 17 ALA CA . 18463 1
124 . 1 1 17 17 ALA CB C 13 17.772 0.01 . 1 . . . A 17 ALA CB . 18463 1
125 . 1 1 18 18 LEU H H 1 7.265 0.01 . 1 . . . A 18 LEU H . 18463 1
126 . 1 1 18 18 LEU HA H 1 4.007 0.01 . 1 . . . A 18 LEU HA . 18463 1
127 . 1 1 18 18 LEU HB2 H 1 1.222 0.01 . 2 . . . A 18 LEU HB2 . 18463 1
128 . 1 1 18 18 LEU HB3 H 1 1.916 0.01 . 2 . . . A 18 LEU HB3 . 18463 1
129 . 1 1 18 18 LEU HG H 1 1.342 0.01 . 1 . . . A 18 LEU HG . 18463 1
130 . 1 1 18 18 LEU HD11 H 1 0.554 0.01 . 2 . . . A 18 LEU HD11 . 18463 1
131 . 1 1 18 18 LEU HD12 H 1 0.554 0.01 . 2 . . . A 18 LEU HD12 . 18463 1
132 . 1 1 18 18 LEU HD13 H 1 0.554 0.01 . 2 . . . A 18 LEU HD13 . 18463 1
133 . 1 1 18 18 LEU HD21 H 1 0.626 0.01 . 2 . . . A 18 LEU HD21 . 18463 1
134 . 1 1 18 18 LEU HD22 H 1 0.626 0.01 . 2 . . . A 18 LEU HD22 . 18463 1
135 . 1 1 18 18 LEU HD23 H 1 0.626 0.01 . 2 . . . A 18 LEU HD23 . 18463 1
136 . 1 1 18 18 LEU CB C 13 42.373 0.01 . 1 . . . A 18 LEU CB . 18463 1
137 . 1 1 18 18 LEU CG C 13 25.604 0.01 . 1 . . . A 18 LEU CG . 18463 1
138 . 1 1 18 18 LEU CD1 C 13 24.983 0.01 . 2 . . . A 18 LEU CD1 . 18463 1
139 . 1 1 18 18 LEU CD2 C 13 21.989 0.01 . 2 . . . A 18 LEU CD2 . 18463 1
140 . 1 1 20 20 GLY H H 1 9.107 0.01 . 1 . . . A 20 GLY H . 18463 1
141 . 1 1 20 20 GLY HA2 H 1 3.888 0.01 . 2 . . . A 20 GLY HA2 . 18463 1
142 . 1 1 20 20 GLY HA3 H 1 3.993 0.01 . 2 . . . A 20 GLY HA3 . 18463 1
143 . 1 1 20 20 GLY CA C 13 47.074 0.01 . 1 . . . A 20 GLY CA . 18463 1
144 . 1 1 21 21 GLY H H 1 8.671 0.01 . 1 . . . A 21 GLY H . 18463 1
145 . 1 1 21 21 GLY HA2 H 1 3.642 0.01 . 2 . . . A 21 GLY HA2 . 18463 1
146 . 1 1 21 21 GLY HA3 H 1 4.402 0.01 . 2 . . . A 21 GLY HA3 . 18463 1
147 . 1 1 21 21 GLY CA C 13 44.531 0.01 . 1 . . . A 21 GLY CA . 18463 1
148 . 1 1 22 22 ARG H H 1 6.965 0.01 . 1 . . . A 22 ARG H . 18463 1
149 . 1 1 22 22 ARG HA H 1 3.993 0.01 . 1 . . . A 22 ARG HA . 18463 1
150 . 1 1 22 22 ARG HB2 H 1 1.068 0.01 . 2 . . . A 22 ARG HB2 . 18463 1
151 . 1 1 22 22 ARG HB3 H 1 1.600 0.01 . 2 . . . A 22 ARG HB3 . 18463 1
152 . 1 1 22 22 ARG HG2 H 1 0.427 0.01 . 2 . . . A 22 ARG HG2 . 18463 1
153 . 1 1 22 22 ARG HG3 H 1 1.443 0.01 . 2 . . . A 22 ARG HG3 . 18463 1
154 . 1 1 22 22 ARG HD2 H 1 3.069 0.01 . 2 . . . A 22 ARG HD2 . 18463 1
155 . 1 1 22 22 ARG HD3 H 1 3.345 0.01 . 2 . . . A 22 ARG HD3 . 18463 1
156 . 1 1 22 22 ARG HE H 1 7.424 0.01 . 1 . . . A 22 ARG HE . 18463 1
157 . 1 1 22 22 ARG CA C 13 56.615 0.01 . 1 . . . A 22 ARG CA . 18463 1
158 . 1 1 22 22 ARG CB C 13 30.724 0.01 . 1 . . . A 22 ARG CB . 18463 1
159 . 1 1 22 22 ARG CG C 13 29.955 0.01 . 1 . . . A 22 ARG CG . 18463 1
160 . 1 1 22 22 ARG CD C 13 44.669 0.01 . 1 . . . A 22 ARG CD . 18463 1
161 . 1 1 22 22 ARG N N 15 119.872 0.01 . 1 . . . A 22 ARG N . 18463 1
162 . 1 1 22 22 ARG NE N 15 84.858 0.01 . 1 . . . A 22 ARG NE . 18463 1
163 . 1 1 23 23 THR H H 1 8.837 0.01 . 1 . . . A 23 THR H . 18463 1
164 . 1 1 23 23 THR HA H 1 4.277 0.01 . 1 . . . A 23 THR HA . 18463 1
165 . 1 1 23 23 THR HB H 1 4.277 0.01 . 1 . . . A 23 THR HB . 18463 1
166 . 1 1 23 23 THR HG21 H 1 1.193 0.01 . 1 . . . A 23 THR HG21 . 18463 1
167 . 1 1 23 23 THR HG22 H 1 1.193 0.01 . 1 . . . A 23 THR HG22 . 18463 1
168 . 1 1 23 23 THR HG23 H 1 1.193 0.01 . 1 . . . A 23 THR HG23 . 18463 1
169 . 1 1 23 23 THR CB C 13 70.344 0.01 . 1 . . . A 23 THR CB . 18463 1
170 . 1 1 23 23 THR CG2 C 13 21.470 0.01 . 1 . . . A 23 THR CG2 . 18463 1
171 . 1 1 24 24 GLY H H 1 7.354 0.01 . 1 . . . A 24 GLY H . 18463 1
172 . 1 1 24 24 GLY HA2 H 1 3.940 0.01 . 2 . . . A 24 GLY HA2 . 18463 1
173 . 1 1 24 24 GLY HA3 H 1 4.274 0.01 . 2 . . . A 24 GLY HA3 . 18463 1
174 . 1 1 24 24 GLY CA C 13 45.157 0.01 . 1 . . . A 24 GLY CA . 18463 1
175 . 1 1 25 25 GLY H H 1 8.054 0.01 . 1 . . . A 25 GLY H . 18463 1
176 . 1 1 25 25 GLY HA2 H 1 4.224 0.01 . 2 . . . A 25 GLY HA2 . 18463 1
177 . 1 1 25 25 GLY HA3 H 1 4.851 0.01 . 2 . . . A 25 GLY HA3 . 18463 1
178 . 1 1 25 25 GLY CA C 13 46.801 0.01 . 1 . . . A 25 GLY CA . 18463 1
179 . 1 1 26 26 TYR H H 1 8.932 0.01 . 1 . . . A 26 TYR H . 18463 1
180 . 1 1 26 26 TYR HA H 1 4.774 0.01 . 1 . . . A 26 TYR HA . 18463 1
181 . 1 1 26 26 TYR HB2 H 1 2.965 0.01 . 2 . . . A 26 TYR HB2 . 18463 1
182 . 1 1 26 26 TYR HB3 H 1 3.101 0.01 . 2 . . . A 26 TYR HB3 . 18463 1
183 . 1 1 26 26 TYR HD2 H 1 6.847 0.01 . 3 . . . A 26 TYR HD2 . 18463 1
184 . 1 1 26 26 TYR HE2 H 1 6.635 0.01 . 3 . . . A 26 TYR HE2 . 18463 1
185 . 1 1 26 26 TYR CB C 13 39.721 0.01 . 1 . . . A 26 TYR CB . 18463 1
186 . 1 1 26 26 TYR CD2 C 13 134.059 0.01 . 3 . . . A 26 TYR CD2 . 18463 1
187 . 1 1 27 27 CYS H H 1 8.753 0.01 . 1 . . . A 27 CYS H . 18463 1
188 . 1 1 27 27 CYS HA H 1 5.188 0.01 . 1 . . . A 27 CYS HA . 18463 1
189 . 1 1 27 27 CYS HB2 H 1 2.812 0.01 . 2 . . . A 27 CYS HB2 . 18463 1
190 . 1 1 27 27 CYS HB3 H 1 4.054 0.01 . 2 . . . A 27 CYS HB3 . 18463 1
191 . 1 1 27 27 CYS CA C 13 52.852 0.01 . 1 . . . A 27 CYS CA . 18463 1
192 . 1 1 27 27 CYS CB C 13 37.300 0.01 . 1 . . . A 27 CYS CB . 18463 1
193 . 1 1 28 28 ALA H H 1 9.122 0.01 . 1 . . . A 28 ALA H . 18463 1
194 . 1 1 28 28 ALA HA H 1 4.654 0.01 . 1 . . . A 28 ALA HA . 18463 1
195 . 1 1 28 28 ALA HB1 H 1 1.530 0.01 . 1 . . . A 28 ALA HB1 . 18463 1
196 . 1 1 28 28 ALA HB2 H 1 1.530 0.01 . 1 . . . A 28 ALA HB2 . 18463 1
197 . 1 1 28 28 ALA HB3 H 1 1.530 0.01 . 1 . . . A 28 ALA HB3 . 18463 1
198 . 1 1 28 28 ALA CA C 13 50.603 0.01 . 1 . . . A 28 ALA CA . 18463 1
199 . 1 1 28 28 ALA CB C 13 20.758 0.01 . 1 . . . A 28 ALA CB . 18463 1
200 . 1 1 29 29 GLY H H 1 8.548 0.01 . 1 . . . A 29 GLY H . 18463 1
201 . 1 1 29 29 GLY HA2 H 1 3.920 0.01 . 2 . . . A 29 GLY HA2 . 18463 1
202 . 1 1 29 29 GLY HA3 H 1 4.558 0.01 . 2 . . . A 29 GLY HA3 . 18463 1
203 . 1 1 29 29 GLY CA C 13 44.708 0.01 . 1 . . . A 29 GLY CA . 18463 1
204 . 1 1 30 30 PRO HA H 1 4.348 0.01 . 1 . . . A 30 PRO HA . 18463 1
205 . 1 1 30 30 PRO HB2 H 1 0.863 0.01 . 2 . . . A 30 PRO HB2 . 18463 1
206 . 1 1 30 30 PRO HB3 H 1 1.749 0.01 . 2 . . . A 30 PRO HB3 . 18463 1
207 . 1 1 30 30 PRO HG2 H 1 1.878 0.01 . 2 . . . A 30 PRO HG2 . 18463 1
208 . 1 1 30 30 PRO HG3 H 1 1.975 0.01 . 2 . . . A 30 PRO HG3 . 18463 1
209 . 1 1 30 30 PRO HD2 H 1 3.251 0.01 . 2 . . . A 30 PRO HD2 . 18463 1
210 . 1 1 30 30 PRO HD3 H 1 3.709 0.01 . 2 . . . A 30 PRO HD3 . 18463 1
211 . 1 1 30 30 PRO CB C 13 31.840 0.01 . 1 . . . A 30 PRO CB . 18463 1
212 . 1 1 30 30 PRO CG C 13 27.659 0.01 . 1 . . . A 30 PRO CG . 18463 1
213 . 1 1 30 30 PRO CD C 13 49.658 0.01 . 1 . . . A 30 PRO CD . 18463 1
214 . 1 1 31 31 TRP H H 1 9.002 0.01 . 1 . . . A 31 TRP H . 18463 1
215 . 1 1 31 31 TRP HA H 1 4.800 0.01 . 1 . . . A 31 TRP HA . 18463 1
216 . 1 1 31 31 TRP HB2 H 1 3.386 0.01 . 2 . . . A 31 TRP HB2 . 18463 1
217 . 1 1 31 31 TRP HB3 H 1 3.442 0.01 . 2 . . . A 31 TRP HB3 . 18463 1
218 . 1 1 31 31 TRP HD1 H 1 7.570 0.01 . 1 . . . A 31 TRP HD1 . 18463 1
219 . 1 1 31 31 TRP HE1 H 1 10.546 0.01 . 1 . . . A 31 TRP HE1 . 18463 1
220 . 1 1 31 31 TRP CB C 13 27.706 0.01 . 1 . . . A 31 TRP CB . 18463 1
221 . 1 1 31 31 TRP CD1 C 13 127.764 0.01 . 1 . . . A 31 TRP CD1 . 18463 1
222 . 1 1 31 31 TRP NE1 N 15 131.415 0.01 . 1 . . . A 31 TRP NE1 . 18463 1
223 . 1 1 32 32 TYR H H 1 6.367 0.01 . 1 . . . A 32 TYR H . 18463 1
224 . 1 1 32 32 TYR HA H 1 3.882 0.01 . 1 . . . A 32 TYR HA . 18463 1
225 . 1 1 32 32 TYR HB2 H 1 1.378 0.01 . 2 . . . A 32 TYR HB2 . 18463 1
226 . 1 1 32 32 TYR HB3 H 1 2.825 0.01 . 2 . . . A 32 TYR HB3 . 18463 1
227 . 1 1 32 32 TYR HD1 H 1 6.455 0.01 . 3 . . . A 32 TYR HD1 . 18463 1
228 . 1 1 32 32 TYR HE1 H 1 6.773 0.01 . 3 . . . A 32 TYR HE1 . 18463 1
229 . 1 1 32 32 TYR CA C 13 58.010 0.01 . 1 . . . A 32 TYR CA . 18463 1
230 . 1 1 32 32 TYR CB C 13 35.410 0.01 . 1 . . . A 32 TYR CB . 18463 1
231 . 1 1 32 32 TYR CD1 C 13 133.109 0.01 . 3 . . . A 32 TYR CD1 . 18463 1
232 . 1 1 32 32 TYR CE1 C 13 120.169 0.01 . 3 . . . A 32 TYR CE1 . 18463 1
233 . 1 1 33 33 LEU HA H 1 4.450 0.01 . 1 . . . A 33 LEU HA . 18463 1
234 . 1 1 33 33 LEU HB2 H 1 1.090 0.01 . 2 . . . A 33 LEU HB2 . 18463 1
235 . 1 1 33 33 LEU HB3 H 1 1.660 0.01 . 2 . . . A 33 LEU HB3 . 18463 1
236 . 1 1 33 33 LEU HG H 1 0.948 0.01 . 1 . . . A 33 LEU HG . 18463 1
237 . 1 1 33 33 LEU HD11 H 1 0.788 0.01 . 2 . . . A 33 LEU HD11 . 18463 1
238 . 1 1 33 33 LEU HD12 H 1 0.788 0.01 . 2 . . . A 33 LEU HD12 . 18463 1
239 . 1 1 33 33 LEU HD13 H 1 0.788 0.01 . 2 . . . A 33 LEU HD13 . 18463 1
240 . 1 1 33 33 LEU HD21 H 1 0.824 0.01 . 2 . . . A 33 LEU HD21 . 18463 1
241 . 1 1 33 33 LEU HD22 H 1 0.824 0.01 . 2 . . . A 33 LEU HD22 . 18463 1
242 . 1 1 33 33 LEU HD23 H 1 0.824 0.01 . 2 . . . A 33 LEU HD23 . 18463 1
243 . 1 1 33 33 LEU CA C 13 53.688 0.01 . 1 . . . A 33 LEU CA . 18463 1
244 . 1 1 33 33 LEU CB C 13 42.778 0.01 . 1 . . . A 33 LEU CB . 18463 1
245 . 1 1 33 33 LEU CG C 13 26.162 0.01 . 1 . . . A 33 LEU CG . 18463 1
246 . 1 1 33 33 LEU CD1 C 13 25.266 0.01 . 2 . . . A 33 LEU CD1 . 18463 1
247 . 1 1 33 33 LEU CD2 C 13 21.934 0.01 . 2 . . . A 33 LEU CD2 . 18463 1
248 . 1 1 34 34 GLY H H 1 7.632 0.01 . 1 . . . A 34 GLY H . 18463 1
249 . 1 1 34 34 GLY HA2 H 1 3.527 0.01 . 2 . . . A 34 GLY HA2 . 18463 1
250 . 1 1 34 34 GLY HA3 H 1 3.852 0.01 . 2 . . . A 34 GLY HA3 . 18463 1
251 . 1 1 34 34 GLY CA C 13 45.810 0.01 . 1 . . . A 34 GLY CA . 18463 1
252 . 1 1 35 35 HIS H H 1 7.334 0.01 . 1 . . . A 35 HIS H . 18463 1
253 . 1 1 35 35 HIS HA H 1 3.705 0.01 . 1 . . . A 35 HIS HA . 18463 1
254 . 1 1 35 35 HIS HB2 H 1 2.527 0.01 . 2 . . . A 35 HIS HB2 . 18463 1
255 . 1 1 35 35 HIS HB3 H 1 3.871 0.01 . 2 . . . A 35 HIS HB3 . 18463 1
256 . 1 1 35 35 HIS HD2 H 1 7.460 0.01 . 1 . . . A 35 HIS HD2 . 18463 1
257 . 1 1 35 35 HIS HE1 H 1 8.776 0.01 . 1 . . . A 35 HIS HE1 . 18463 1
258 . 1 1 35 35 HIS CB C 13 25.764 0.01 . 1 . . . A 35 HIS CB . 18463 1
259 . 1 1 35 35 HIS CD2 C 13 120.248 0.01 . 1 . . . A 35 HIS CD2 . 18463 1
260 . 1 1 35 35 HIS CE1 C 13 136.571 0.01 . 1 . . . A 35 HIS CE1 . 18463 1
261 . 1 1 36 36 PRO HA H 1 3.874 0.01 . 1 . . . A 36 PRO HA . 18463 1
262 . 1 1 36 36 PRO HB2 H 1 1.883 0.01 . 2 . . . A 36 PRO HB2 . 18463 1
263 . 1 1 36 36 PRO HB3 H 1 2.106 0.01 . 2 . . . A 36 PRO HB3 . 18463 1
264 . 1 1 36 36 PRO HG2 H 1 1.983 0.01 . 2 . . . A 36 PRO HG2 . 18463 1
265 . 1 1 36 36 PRO HD2 H 1 3.215 0.01 . 2 . . . A 36 PRO HD2 . 18463 1
266 . 1 1 36 36 PRO HD3 H 1 3.506 0.01 . 2 . . . A 36 PRO HD3 . 18463 1
267 . 1 1 36 36 PRO CA C 13 64.072 0.01 . 1 . . . A 36 PRO CA . 18463 1
268 . 1 1 36 36 PRO CD C 13 49.345 0.01 . 1 . . . A 36 PRO CD . 18463 1
269 . 1 1 37 37 THR H H 1 8.185 0.01 . 1 . . . A 37 THR H . 18463 1
270 . 1 1 37 37 THR HA H 1 4.356 0.01 . 1 . . . A 37 THR HA . 18463 1
271 . 1 1 37 37 THR HB H 1 3.542 0.01 . 1 . . . A 37 THR HB . 18463 1
272 . 1 1 37 37 THR HG21 H 1 1.043 0.01 . 1 . . . A 37 THR HG21 . 18463 1
273 . 1 1 37 37 THR HG22 H 1 1.043 0.01 . 1 . . . A 37 THR HG22 . 18463 1
274 . 1 1 37 37 THR HG23 H 1 1.043 0.01 . 1 . . . A 37 THR HG23 . 18463 1
275 . 1 1 37 37 THR CB C 13 69.525 0.01 . 1 . . . A 37 THR CB . 18463 1
276 . 1 1 37 37 THR CG2 C 13 22.264 0.01 . 1 . . . A 37 THR CG2 . 18463 1
277 . 1 1 38 38 CYS H H 1 9.046 0.01 . 1 . . . A 38 CYS H . 18463 1
278 . 1 1 38 38 CYS HA H 1 5.026 0.01 . 1 . . . A 38 CYS HA . 18463 1
279 . 1 1 38 38 CYS HB2 H 1 2.591 0.01 . 2 . . . A 38 CYS HB2 . 18463 1
280 . 1 1 38 38 CYS HB3 H 1 3.363 0.01 . 2 . . . A 38 CYS HB3 . 18463 1
281 . 1 1 38 38 CYS CA C 13 57.050 0.01 . 1 . . . A 38 CYS CA . 18463 1
282 . 1 1 38 38 CYS CB C 13 34.921 0.01 . 1 . . . A 38 CYS CB . 18463 1
283 . 1 1 39 39 THR H H 1 9.272 0.01 . 1 . . . A 39 THR H . 18463 1
284 . 1 1 39 39 THR HA H 1 4.277 0.01 . 1 . . . A 39 THR HA . 18463 1
285 . 1 1 39 39 THR HB H 1 3.017 0.01 . 1 . . . A 39 THR HB . 18463 1
286 . 1 1 39 39 THR HG21 H 1 1.053 0.01 . 1 . . . A 39 THR HG21 . 18463 1
287 . 1 1 39 39 THR HG22 H 1 1.053 0.01 . 1 . . . A 39 THR HG22 . 18463 1
288 . 1 1 39 39 THR HG23 H 1 1.053 0.01 . 1 . . . A 39 THR HG23 . 18463 1
289 . 1 1 39 39 THR CB C 13 70.474 0.01 . 1 . . . A 39 THR CB . 18463 1
290 . 1 1 39 39 THR CG2 C 13 20.339 0.01 . 1 . . . A 39 THR CG2 . 18463 1
291 . 1 1 40 40 CYS H H 1 8.658 0.01 . 1 . . . A 40 CYS H . 18463 1
292 . 1 1 40 40 CYS HA H 1 5.467 0.01 . 1 . . . A 40 CYS HA . 18463 1
293 . 1 1 40 40 CYS HB2 H 1 2.716 0.01 . 2 . . . A 40 CYS HB2 . 18463 1
294 . 1 1 40 40 CYS HB3 H 1 2.781 0.01 . 2 . . . A 40 CYS HB3 . 18463 1
295 . 1 1 40 40 CYS CA C 13 52.065 0.01 . 1 . . . A 40 CYS CA . 18463 1
296 . 1 1 40 40 CYS CB C 13 35.086 0.01 . 1 . . . A 40 CYS CB . 18463 1
297 . 1 1 41 41 SER H H 1 8.680 0.01 . 1 . . . A 41 SER H . 18463 1
298 . 1 1 41 41 SER HA H 1 4.771 0.01 . 1 . . . A 41 SER HA . 18463 1
299 . 1 1 41 41 SER HB2 H 1 3.726 0.01 . 2 . . . A 41 SER HB2 . 18463 1
300 . 1 1 41 41 SER CB C 13 66.158 0.01 . 1 . . . A 41 SER CB . 18463 1
301 . 1 1 42 42 PHE H H 1 8.448 0.01 . 1 . . . A 42 PHE H . 18463 1
302 . 1 1 42 42 PHE HA H 1 4.628 0.01 . 1 . . . A 42 PHE HA . 18463 1
303 . 1 1 42 42 PHE HB2 H 1 2.730 0.01 . 2 . . . A 42 PHE HB2 . 18463 1
304 . 1 1 42 42 PHE HD1 H 1 7.146 0.01 . 3 . . . A 42 PHE HD1 . 18463 1
305 . 1 1 42 42 PHE HE1 H 1 7.248 0.01 . 3 . . . A 42 PHE HE1 . 18463 1
306 . 1 1 42 42 PHE HZ H 1 7.060 0.01 . 1 . . . A 42 PHE HZ . 18463 1
307 . 1 1 42 42 PHE CA C 13 59.252 0.01 . 1 . . . A 42 PHE CA . 18463 1
308 . 1 1 42 42 PHE CE1 C 13 131.400 0.01 . 3 . . . A 42 PHE CE1 . 18463 1
309 . 1 1 42 42 PHE CZ C 13 129.126 0.01 . 1 . . . A 42 PHE CZ . 18463 1
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