###################################
# 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 30872
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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-13C HSQC' . . . 30872 1
2 '2D 1H-15N HSQC' . . . 30872 1
3 '2D 1H-1H NOESY' . . . 30872 1
4 '2D 1H-1H TOCSY' . . . 30872 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 GLY HA2 H 1 3.730 0.001 . 2 . . . . A 1 GLY HA2 . 30872 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.730 0.001 . 2 . . . . A 1 GLY HA3 . 30872 1
3 . 1 . 1 1 1 GLY CA C 13 43.256 0.000 . 1 . . . . A 1 GLY CA . 30872 1
4 . 1 . 1 2 2 ASP H H 1 8.344 0.001 . 1 . . . . A 2 ASP H . 30872 1
5 . 1 . 1 2 2 ASP HA H 1 4.541 0.005 . 1 . . . . A 2 ASP HA . 30872 1
6 . 1 . 1 2 2 ASP HB2 H 1 2.398 0.005 . 2 . . . . A 2 ASP HB2 . 30872 1
7 . 1 . 1 2 2 ASP HB3 H 1 2.611 0.009 . 2 . . . . A 2 ASP HB3 . 30872 1
8 . 1 . 1 2 2 ASP CA C 13 53.626 0.000 . 1 . . . . A 2 ASP CA . 30872 1
9 . 1 . 1 2 2 ASP CB C 13 40.762 0.000 . 1 . . . . A 2 ASP CB . 30872 1
10 . 1 . 1 2 2 ASP N N 15 120.238 0.000 . 1 . . . . A 2 ASP N . 30872 1
11 . 1 . 1 3 3 CYS H H 1 8.107 0.001 . 1 . . . . A 3 CYS H . 30872 1
12 . 1 . 1 3 3 CYS HA H 1 4.481 0.003 . 1 . . . . A 3 CYS HA . 30872 1
13 . 1 . 1 3 3 CYS HB2 H 1 2.795 0.010 . 1 . . . . A 3 CYS HB2 . 30872 1
14 . 1 . 1 3 3 CYS HB3 H 1 2.978 0.008 . 1 . . . . A 3 CYS HB3 . 30872 1
15 . 1 . 1 3 3 CYS CA C 13 54.348 0.000 . 1 . . . . A 3 CYS CA . 30872 1
16 . 1 . 1 3 3 CYS CB C 13 41.995 0.000 . 1 . . . . A 3 CYS CB . 30872 1
17 . 1 . 1 3 3 CYS N N 15 115.555 0.000 . 1 . . . . A 3 CYS N . 30872 1
18 . 1 . 1 4 4 HIS H H 1 8.733 0.001 . 1 . . . . A 4 HIS H . 30872 1
19 . 1 . 1 4 4 HIS HA H 1 4.433 0.004 . 1 . . . . A 4 HIS HA . 30872 1
20 . 1 . 1 4 4 HIS HB2 H 1 2.916 0.009 . 1 . . . . A 4 HIS HB2 . 30872 1
21 . 1 . 1 4 4 HIS HB3 H 1 2.775 0.008 . 1 . . . . A 4 HIS HB3 . 30872 1
22 . 1 . 1 4 4 HIS HD2 H 1 7.007 0.002 . 1 . . . . A 4 HIS HD2 . 30872 1
23 . 1 . 1 4 4 HIS HE1 H 1 8.694 0.000 . 1 . . . . A 4 HIS HE1 . 30872 1
24 . 1 . 1 4 4 HIS CA C 13 55.732 0.000 . 1 . . . . A 4 HIS CA . 30872 1
25 . 1 . 1 4 4 HIS CB C 13 30.293 0.000 . 1 . . . . A 4 HIS CB . 30872 1
26 . 1 . 1 4 4 HIS CD2 C 13 119.984 0.000 . 1 . . . . A 4 HIS CD2 . 30872 1
27 . 1 . 1 4 4 HIS CE1 C 13 138.274 0.000 . 1 . . . . A 4 HIS CE1 . 30872 1
28 . 1 . 1 4 4 HIS N N 15 118.693 0.000 . 1 . . . . A 4 HIS N . 30872 1
29 . 1 . 1 5 5 LYS H H 1 8.259 0.001 . 1 . . . . A 5 LYS H . 30872 1
30 . 1 . 1 5 5 LYS HA H 1 3.902 0.004 . 1 . . . . A 5 LYS HA . 30872 1
31 . 1 . 1 5 5 LYS HB2 H 1 2.010 0.005 . 2 . . . . A 5 LYS HB2 . 30872 1
32 . 1 . 1 5 5 LYS HB3 H 1 1.647 0.012 . 2 . . . . A 5 LYS HB3 . 30872 1
33 . 1 . 1 5 5 LYS HG2 H 1 1.357 0.002 . 2 . . . . A 5 LYS HG2 . 30872 1
34 . 1 . 1 5 5 LYS HG3 H 1 1.491 0.006 . 2 . . . . A 5 LYS HG3 . 30872 1
35 . 1 . 1 5 5 LYS HD2 H 1 1.655 0.014 . 2 . . . . A 5 LYS HD2 . 30872 1
36 . 1 . 1 5 5 LYS HD3 H 1 1.655 0.014 . 2 . . . . A 5 LYS HD3 . 30872 1
37 . 1 . 1 5 5 LYS HE2 H 1 2.981 0.012 . 2 . . . . A 5 LYS HE2 . 30872 1
38 . 1 . 1 5 5 LYS HE3 H 1 2.981 0.012 . 2 . . . . A 5 LYS HE3 . 30872 1
39 . 1 . 1 5 5 LYS HZ1 H 1 7.439 0.001 . 1 . . . . A 5 LYS HZ1 . 30872 1
40 . 1 . 1 5 5 LYS HZ2 H 1 7.439 0.001 . 1 . . . . A 5 LYS HZ2 . 30872 1
41 . 1 . 1 5 5 LYS HZ3 H 1 7.439 0.001 . 1 . . . . A 5 LYS HZ3 . 30872 1
42 . 1 . 1 5 5 LYS CA C 13 55.452 0.000 . 1 . . . . A 5 LYS CA . 30872 1
43 . 1 . 1 5 5 LYS CB C 13 33.667 0.000 . 1 . . . . A 5 LYS CB . 30872 1
44 . 1 . 1 5 5 LYS CG C 13 25.783 0.000 . 1 . . . . A 5 LYS CG . 30872 1
45 . 1 . 1 5 5 LYS CD C 13 29.297 0.000 . 1 . . . . A 5 LYS CD . 30872 1
46 . 1 . 1 5 5 LYS CE C 13 42.238 0.000 . 1 . . . . A 5 LYS CE . 30872 1
47 . 1 . 1 5 5 LYS N N 15 123.123 0.000 . 1 . . . . A 5 LYS N . 30872 1
48 . 1 . 1 6 6 PHE H H 1 8.143 0.001 . 1 . . . . A 6 PHE H . 30872 1
49 . 1 . 1 6 6 PHE HA H 1 3.585 0.006 . 1 . . . . A 6 PHE HA . 30872 1
50 . 1 . 1 6 6 PHE HB2 H 1 2.557 0.004 . 2 . . . . A 6 PHE HB2 . 30872 1
51 . 1 . 1 6 6 PHE HB3 H 1 2.557 0.004 . 2 . . . . A 6 PHE HB3 . 30872 1
52 . 1 . 1 6 6 PHE HD1 H 1 6.786 0.004 . 1 . . . . A 6 PHE HD1 . 30872 1
53 . 1 . 1 6 6 PHE HD2 H 1 6.786 0.004 . 1 . . . . A 6 PHE HD2 . 30872 1
54 . 1 . 1 6 6 PHE HE1 H 1 7.397 0.003 . 1 . . . . A 6 PHE HE1 . 30872 1
55 . 1 . 1 6 6 PHE HE2 H 1 7.397 0.003 . 1 . . . . A 6 PHE HE2 . 30872 1
56 . 1 . 1 6 6 PHE HZ H 1 7.396 0.001 . 1 . . . . A 6 PHE HZ . 30872 1
57 . 1 . 1 6 6 PHE CA C 13 59.171 0.000 . 1 . . . . A 6 PHE CA . 30872 1
58 . 1 . 1 6 6 PHE CB C 13 40.042 0.000 . 1 . . . . A 6 PHE CB . 30872 1
59 . 1 . 1 6 6 PHE CD2 C 13 131.248 0.000 . 1 . . . . A 6 PHE CD2 . 30872 1
60 . 1 . 1 6 6 PHE CE1 C 13 131.666 0.000 . 1 . . . . A 6 PHE CE1 . 30872 1
61 . 1 . 1 6 6 PHE CZ C 13 130.120 0.000 . 1 . . . . A 6 PHE CZ . 30872 1
62 . 1 . 1 6 6 PHE N N 15 119.506 0.000 . 1 . . . . A 6 PHE N . 30872 1
63 . 1 . 1 7 7 LEU H H 1 8.551 0.002 . 1 . . . . A 7 LEU H . 30872 1
64 . 1 . 1 7 7 LEU HA H 1 3.023 0.002 . 1 . . . . A 7 LEU HA . 30872 1
65 . 1 . 1 7 7 LEU HB2 H 1 1.478 0.002 . 1 . . . . A 7 LEU HB2 . 30872 1
66 . 1 . 1 7 7 LEU HB3 H 1 0.713 0.005 . 1 . . . . A 7 LEU HB3 . 30872 1
67 . 1 . 1 7 7 LEU HG H 1 0.148 0.002 . 1 . . . . A 7 LEU HG . 30872 1
68 . 1 . 1 7 7 LEU HD11 H 1 -0.628 0.003 . 1 . . . . A 7 LEU HD11 . 30872 1
69 . 1 . 1 7 7 LEU HD12 H 1 -0.628 0.003 . 1 . . . . A 7 LEU HD12 . 30872 1
70 . 1 . 1 7 7 LEU HD13 H 1 -0.628 0.003 . 1 . . . . A 7 LEU HD13 . 30872 1
71 . 1 . 1 7 7 LEU HD21 H 1 -0.347 0.002 . 1 . . . . A 7 LEU HD21 . 30872 1
72 . 1 . 1 7 7 LEU HD22 H 1 -0.347 0.002 . 1 . . . . A 7 LEU HD22 . 30872 1
73 . 1 . 1 7 7 LEU HD23 H 1 -0.347 0.002 . 1 . . . . A 7 LEU HD23 . 30872 1
74 . 1 . 1 7 7 LEU CA C 13 57.278 0.000 . 1 . . . . A 7 LEU CA . 30872 1
75 . 1 . 1 7 7 LEU CB C 13 38.262 0.000 . 1 . . . . A 7 LEU CB . 30872 1
76 . 1 . 1 7 7 LEU CG C 13 24.937 0.000 . 1 . . . . A 7 LEU CG . 30872 1
77 . 1 . 1 7 7 LEU CD1 C 13 25.093 0.000 . 1 . . . . A 7 LEU CD1 . 30872 1
78 . 1 . 1 7 7 LEU CD2 C 13 21.901 0.000 . 1 . . . . A 7 LEU CD2 . 30872 1
79 . 1 . 1 7 7 LEU N N 15 122.615 0.000 . 1 . . . . A 7 LEU N . 30872 1
80 . 1 . 1 8 8 GLY H H 1 9.003 0.008 . 1 . . . . A 8 GLY H . 30872 1
81 . 1 . 1 8 8 GLY HA2 H 1 4.013 0.010 . 2 . . . . A 8 GLY HA2 . 30872 1
82 . 1 . 1 8 8 GLY HA3 H 1 3.410 0.004 . 2 . . . . A 8 GLY HA3 . 30872 1
83 . 1 . 1 8 8 GLY CA C 13 44.929 0.000 . 1 . . . . A 8 GLY CA . 30872 1
84 . 1 . 1 8 8 GLY N N 15 110.716 0.000 . 1 . . . . A 8 GLY N . 30872 1
85 . 1 . 1 9 9 TRP H H 1 8.623 0.001 . 1 . . . . A 9 TRP H . 30872 1
86 . 1 . 1 9 9 TRP HA H 1 4.247 0.007 . 1 . . . . A 9 TRP HA . 30872 1
87 . 1 . 1 9 9 TRP HB2 H 1 3.275 0.010 . 2 . . . . A 9 TRP HB2 . 30872 1
88 . 1 . 1 9 9 TRP HB3 H 1 3.096 0.006 . 2 . . . . A 9 TRP HB3 . 30872 1
89 . 1 . 1 9 9 TRP HD1 H 1 7.097 0.002 . 1 . . . . A 9 TRP HD1 . 30872 1
90 . 1 . 1 9 9 TRP HE1 H 1 9.755 0.004 . 1 . . . . A 9 TRP HE1 . 30872 1
91 . 1 . 1 9 9 TRP HE3 H 1 7.821 0.002 . 1 . . . . A 9 TRP HE3 . 30872 1
92 . 1 . 1 9 9 TRP HZ2 H 1 7.442 0.007 . 1 . . . . A 9 TRP HZ2 . 30872 1
93 . 1 . 1 9 9 TRP HZ3 H 1 7.442 0.010 . 1 . . . . A 9 TRP HZ3 . 30872 1
94 . 1 . 1 9 9 TRP HH2 H 1 7.203 0.008 . 1 . . . . A 9 TRP HH2 . 30872 1
95 . 1 . 1 9 9 TRP CA C 13 59.501 0.000 . 1 . . . . A 9 TRP CA . 30872 1
96 . 1 . 1 9 9 TRP CB C 13 29.005 0.000 . 1 . . . . A 9 TRP CB . 30872 1
97 . 1 . 1 9 9 TRP CD1 C 13 126.977 0.000 . 1 . . . . A 9 TRP CD1 . 30872 1
98 . 1 . 1 9 9 TRP CE3 C 13 121.039 0.000 . 1 . . . . A 9 TRP CE3 . 30872 1
99 . 1 . 1 9 9 TRP CZ2 C 13 114.256 0.000 . 1 . . . . A 9 TRP CZ2 . 30872 1
100 . 1 . 1 9 9 TRP CZ3 C 13 122.962 0.000 . 1 . . . . A 9 TRP CZ3 . 30872 1
101 . 1 . 1 9 9 TRP CH2 C 13 124.835 0.000 . 1 . . . . A 9 TRP CH2 . 30872 1
102 . 1 . 1 9 9 TRP N N 15 126.261 0.000 . 1 . . . . A 9 TRP N . 30872 1
103 . 1 . 1 9 9 TRP NE1 N 15 128.734 0.000 . 1 . . . . A 9 TRP NE1 . 30872 1
104 . 1 . 1 10 10 CYS H H 1 8.504 0.009 . 1 . . . . A 10 CYS H . 30872 1
105 . 1 . 1 10 10 CYS HA H 1 4.205 0.007 . 1 . . . . A 10 CYS HA . 30872 1
106 . 1 . 1 10 10 CYS HB2 H 1 3.212 0.010 . 2 . . . . A 10 CYS HB2 . 30872 1
107 . 1 . 1 10 10 CYS HB3 H 1 2.536 0.011 . 2 . . . . A 10 CYS HB3 . 30872 1
108 . 1 . 1 10 10 CYS CA C 13 54.323 0.000 . 1 . . . . A 10 CYS CA . 30872 1
109 . 1 . 1 10 10 CYS CB C 13 45.802 0.000 . 1 . . . . A 10 CYS CB . 30872 1
110 . 1 . 1 10 10 CYS N N 15 119.689 0.000 . 1 . . . . A 10 CYS N . 30872 1
111 . 1 . 1 11 11 ARG H H 1 6.615 0.001 . 1 . . . . A 11 ARG H . 30872 1
112 . 1 . 1 11 11 ARG HA H 1 3.742 0.002 . 1 . . . . A 11 ARG HA . 30872 1
113 . 1 . 1 11 11 ARG HB2 H 1 1.481 0.005 . 1 . . . . A 11 ARG HB2 . 30872 1
114 . 1 . 1 11 11 ARG HB3 H 1 1.422 0.007 . 1 . . . . A 11 ARG HB3 . 30872 1
115 . 1 . 1 11 11 ARG HG2 H 1 1.464 0.016 . 2 . . . . A 11 ARG HG2 . 30872 1
116 . 1 . 1 11 11 ARG HG3 H 1 1.464 0.016 . 2 . . . . A 11 ARG HG3 . 30872 1
117 . 1 . 1 11 11 ARG HD2 H 1 3.212 0.003 . 2 . . . . A 11 ARG HD2 . 30872 1
118 . 1 . 1 11 11 ARG HD3 H 1 3.212 0.003 . 2 . . . . A 11 ARG HD3 . 30872 1
119 . 1 . 1 11 11 ARG HE H 1 7.261 0.003 . 1 . . . . A 11 ARG HE . 30872 1
120 . 1 . 1 11 11 ARG CA C 13 58.359 0.000 . 1 . . . . A 11 ARG CA . 30872 1
121 . 1 . 1 11 11 ARG CB C 13 30.329 0.000 . 1 . . . . A 11 ARG CB . 30872 1
122 . 1 . 1 11 11 ARG CG C 13 25.628 0.000 . 1 . . . . A 11 ARG CG . 30872 1
123 . 1 . 1 11 11 ARG CD C 13 44.121 0.000 . 1 . . . . A 11 ARG CD . 30872 1
124 . 1 . 1 11 11 ARG N N 15 129.039 0.000 . 1 . . . . A 11 ARG N . 30872 1
125 . 1 . 1 11 11 ARG NE N 15 84.757 0.000 . 1 . . . . A 11 ARG NE . 30872 1
126 . 1 . 1 12 12 GLY H H 1 8.884 0.002 . 1 . . . . A 12 GLY H . 30872 1
127 . 1 . 1 12 12 GLY HA2 H 1 3.688 0.007 . 2 . . . . A 12 GLY HA2 . 30872 1
128 . 1 . 1 12 12 GLY HA3 H 1 3.989 0.009 . 2 . . . . A 12 GLY HA3 . 30872 1
129 . 1 . 1 12 12 GLY CA C 13 45.997 0.000 . 1 . . . . A 12 GLY CA . 30872 1
130 . 1 . 1 12 12 GLY N N 15 116.149 0.000 . 1 . . . . A 12 GLY N . 30872 1
131 . 1 . 1 13 13 GLU H H 1 7.339 0.002 . 1 . . . . A 13 GLU H . 30872 1
132 . 1 . 1 13 13 GLU HA H 1 4.714 0.006 . 1 . . . . A 13 GLU HA . 30872 1
133 . 1 . 1 13 13 GLU HB2 H 1 1.645 0.005 . 1 . . . . A 13 GLU HB2 . 30872 1
134 . 1 . 1 13 13 GLU HB3 H 1 2.479 0.004 . 1 . . . . A 13 GLU HB3 . 30872 1
135 . 1 . 1 13 13 GLU HG2 H 1 1.985 0.008 . 1 . . . . A 13 GLU HG2 . 30872 1
136 . 1 . 1 13 13 GLU HG3 H 1 2.145 0.009 . 1 . . . . A 13 GLU HG3 . 30872 1
137 . 1 . 1 13 13 GLU CB C 13 28.319 0.000 . 1 . . . . A 13 GLU CB . 30872 1
138 . 1 . 1 13 13 GLU CG C 13 32.378 0.000 . 1 . . . . A 13 GLU CG . 30872 1
139 . 1 . 1 13 13 GLU N N 15 118.295 0.000 . 1 . . . . A 13 GLU N . 30872 1
140 . 1 . 1 14 14 PRO HA H 1 4.335 0.001 . 1 . . . . A 14 PRO HA . 30872 1
141 . 1 . 1 14 14 PRO HB2 H 1 2.166 0.006 . 2 . . . . A 14 PRO HB2 . 30872 1
142 . 1 . 1 14 14 PRO HB3 H 1 1.931 0.012 . 2 . . . . A 14 PRO HB3 . 30872 1
143 . 1 . 1 14 14 PRO HG2 H 1 2.027 0.007 . 2 . . . . A 14 PRO HG2 . 30872 1
144 . 1 . 1 14 14 PRO HG3 H 1 1.962 0.012 . 2 . . . . A 14 PRO HG3 . 30872 1
145 . 1 . 1 14 14 PRO HD2 H 1 3.666 0.010 . 1 . . . . A 14 PRO HD2 . 30872 1
146 . 1 . 1 14 14 PRO HD3 H 1 4.044 0.002 . 1 . . . . A 14 PRO HD3 . 30872 1
147 . 1 . 1 14 14 PRO CA C 13 63.964 0.000 . 1 . . . . A 14 PRO CA . 30872 1
148 . 1 . 1 14 14 PRO CB C 13 32.079 0.000 . 1 . . . . A 14 PRO CB . 30872 1
149 . 1 . 1 14 14 PRO CG C 13 27.018 0.000 . 1 . . . . A 14 PRO CG . 30872 1
150 . 1 . 1 14 14 PRO CD C 13 50.624 0.000 . 1 . . . . A 14 PRO CD . 30872 1
151 . 1 . 1 15 15 ASP H H 1 7.409 0.004 . 1 . . . . A 15 ASP H . 30872 1
152 . 1 . 1 15 15 ASP HA H 1 5.007 0.001 . 1 . . . . A 15 ASP HA . 30872 1
153 . 1 . 1 15 15 ASP HB2 H 1 2.130 0.003 . 1 . . . . A 15 ASP HB2 . 30872 1
154 . 1 . 1 15 15 ASP HB3 H 1 2.406 0.008 . 1 . . . . A 15 ASP HB3 . 30872 1
155 . 1 . 1 15 15 ASP CA C 13 51.404 0.000 . 1 . . . . A 15 ASP CA . 30872 1
156 . 1 . 1 15 15 ASP CB C 13 40.599 0.000 . 1 . . . . A 15 ASP CB . 30872 1
157 . 1 . 1 15 15 ASP N N 15 117.119 0.000 . 1 . . . . A 15 ASP N . 30872 1
158 . 1 . 1 16 16 PRO HA H 1 4.649 0.002 . 1 . . . . A 16 PRO HA . 30872 1
159 . 1 . 1 16 16 PRO HB2 H 1 2.326 0.007 . 2 . . . . A 16 PRO HB2 . 30872 1
160 . 1 . 1 16 16 PRO HB3 H 1 2.154 0.010 . 2 . . . . A 16 PRO HB3 . 30872 1
161 . 1 . 1 16 16 PRO HG2 H 1 1.604 0.005 . 2 . . . . A 16 PRO HG2 . 30872 1
162 . 1 . 1 16 16 PRO HG3 H 1 2.015 0.006 . 2 . . . . A 16 PRO HG3 . 30872 1
163 . 1 . 1 16 16 PRO HD2 H 1 3.623 0.002 . 2 . . . . A 16 PRO HD2 . 30872 1
164 . 1 . 1 16 16 PRO HD3 H 1 3.675 0.008 . 2 . . . . A 16 PRO HD3 . 30872 1
165 . 1 . 1 16 16 PRO CA C 13 61.940 0.000 . 1 . . . . A 16 PRO CA . 30872 1
166 . 1 . 1 16 16 PRO CB C 13 33.191 0.000 . 1 . . . . A 16 PRO CB . 30872 1
167 . 1 . 1 16 16 PRO CG C 13 26.591 0.000 . 1 . . . . A 16 PRO CG . 30872 1
168 . 1 . 1 16 16 PRO CD C 13 49.977 0.000 . 1 . . . . A 16 PRO CD . 30872 1
169 . 1 . 1 17 17 CYS H H 1 8.736 0.001 . 1 . . . . A 17 CYS H . 30872 1
170 . 1 . 1 17 17 CYS HA H 1 4.909 0.004 . 1 . . . . A 17 CYS HA . 30872 1
171 . 1 . 1 17 17 CYS HB2 H 1 2.489 0.004 . 1 . . . . A 17 CYS HB2 . 30872 1
172 . 1 . 1 17 17 CYS HB3 H 1 3.004 0.010 . 1 . . . . A 17 CYS HB3 . 30872 1
173 . 1 . 1 17 17 CYS CA C 13 57.126 0.000 . 1 . . . . A 17 CYS CA . 30872 1
174 . 1 . 1 17 17 CYS CB C 13 41.395 0.000 . 1 . . . . A 17 CYS CB . 30872 1
175 . 1 . 1 17 17 CYS N N 15 115.813 0.000 . 1 . . . . A 17 CYS N . 30872 1
176 . 1 . 1 18 18 CYS H H 1 9.074 0.001 . 1 . . . . A 18 CYS H . 30872 1
177 . 1 . 1 18 18 CYS HA H 1 4.448 0.002 . 1 . . . . A 18 CYS HA . 30872 1
178 . 1 . 1 18 18 CYS HB2 H 1 3.426 0.011 . 1 . . . . A 18 CYS HB2 . 30872 1
179 . 1 . 1 18 18 CYS HB3 H 1 2.487 0.002 . 1 . . . . A 18 CYS HB3 . 30872 1
180 . 1 . 1 18 18 CYS CA C 13 53.815 0.000 . 1 . . . . A 18 CYS CA . 30872 1
181 . 1 . 1 18 18 CYS CB C 13 39.933 0.000 . 1 . . . . A 18 CYS CB . 30872 1
182 . 1 . 1 18 18 CYS N N 15 120.219 0.000 . 1 . . . . A 18 CYS N . 30872 1
183 . 1 . 1 19 19 GLU H H 1 8.011 0.001 . 1 . . . . A 19 GLU H . 30872 1
184 . 1 . 1 19 19 GLU HA H 1 3.884 0.007 . 1 . . . . A 19 GLU HA . 30872 1
185 . 1 . 1 19 19 GLU HB2 H 1 1.769 0.006 . 2 . . . . A 19 GLU HB2 . 30872 1
186 . 1 . 1 19 19 GLU HB3 H 1 1.612 0.006 . 2 . . . . A 19 GLU HB3 . 30872 1
187 . 1 . 1 19 19 GLU HG2 H 1 2.019 0.007 . 2 . . . . A 19 GLU HG2 . 30872 1
188 . 1 . 1 19 19 GLU HG3 H 1 1.769 0.006 . 2 . . . . A 19 GLU HG3 . 30872 1
189 . 1 . 1 19 19 GLU CA C 13 57.799 0.000 . 1 . . . . A 19 GLU CA . 30872 1
190 . 1 . 1 19 19 GLU CB C 13 28.900 0.000 . 1 . . . . A 19 GLU CB . 30872 1
191 . 1 . 1 19 19 GLU CG C 13 33.962 0.000 . 1 . . . . A 19 GLU CG . 30872 1
192 . 1 . 1 19 19 GLU N N 15 117.425 0.000 . 1 . . . . A 19 GLU N . 30872 1
193 . 1 . 1 20 20 HIS H H 1 8.627 0.001 . 1 . . . . A 20 HIS H . 30872 1
194 . 1 . 1 20 20 HIS HA H 1 4.202 0.003 . 1 . . . . A 20 HIS HA . 30872 1
195 . 1 . 1 20 20 HIS HB2 H 1 3.832 0.002 . 1 . . . . A 20 HIS HB2 . 30872 1
196 . 1 . 1 20 20 HIS HB3 H 1 3.245 0.011 . 1 . . . . A 20 HIS HB3 . 30872 1
197 . 1 . 1 20 20 HIS HD2 H 1 7.185 0.004 . 1 . . . . A 20 HIS HD2 . 30872 1
198 . 1 . 1 20 20 HIS HE1 H 1 8.543 0.001 . 1 . . . . A 20 HIS HE1 . 30872 1
199 . 1 . 1 20 20 HIS CA C 13 57.440 0.000 . 1 . . . . A 20 HIS CA . 30872 1
200 . 1 . 1 20 20 HIS CB C 13 26.302 0.000 . 1 . . . . A 20 HIS CB . 30872 1
201 . 1 . 1 20 20 HIS CD2 C 13 119.819 0.000 . 1 . . . . A 20 HIS CD2 . 30872 1
202 . 1 . 1 20 20 HIS CE1 C 13 136.573 0.000 . 1 . . . . A 20 HIS CE1 . 30872 1
203 . 1 . 1 20 20 HIS N N 15 112.356 0.000 . 1 . . . . A 20 HIS N . 30872 1
204 . 1 . 1 21 21 LEU H H 1 7.738 0.001 . 1 . . . . A 21 LEU H . 30872 1
205 . 1 . 1 21 21 LEU HA H 1 5.091 0.007 . 1 . . . . A 21 LEU HA . 30872 1
206 . 1 . 1 21 21 LEU HB2 H 1 2.059 0.001 . 1 . . . . A 21 LEU HB2 . 30872 1
207 . 1 . 1 21 21 LEU HB3 H 1 0.934 0.003 . 1 . . . . A 21 LEU HB3 . 30872 1
208 . 1 . 1 21 21 LEU HG H 1 1.095 0.003 . 1 . . . . A 21 LEU HG . 30872 1
209 . 1 . 1 21 21 LEU HD11 H 1 0.464 0.002 . 1 . . . . A 21 LEU HD11 . 30872 1
210 . 1 . 1 21 21 LEU HD12 H 1 0.464 0.002 . 1 . . . . A 21 LEU HD12 . 30872 1
211 . 1 . 1 21 21 LEU HD13 H 1 0.464 0.002 . 1 . . . . A 21 LEU HD13 . 30872 1
212 . 1 . 1 21 21 LEU HD21 H 1 -0.441 0.001 . 1 . . . . A 21 LEU HD21 . 30872 1
213 . 1 . 1 21 21 LEU HD22 H 1 -0.441 0.001 . 1 . . . . A 21 LEU HD22 . 30872 1
214 . 1 . 1 21 21 LEU HD23 H 1 -0.441 0.001 . 1 . . . . A 21 LEU HD23 . 30872 1
215 . 1 . 1 21 21 LEU CA C 13 53.621 0.000 . 1 . . . . A 21 LEU CA . 30872 1
216 . 1 . 1 21 21 LEU CB C 13 45.836 0.000 . 1 . . . . A 21 LEU CB . 30872 1
217 . 1 . 1 21 21 LEU CG C 13 26.322 0.000 . 1 . . . . A 21 LEU CG . 30872 1
218 . 1 . 1 21 21 LEU CD1 C 13 27.068 0.000 . 1 . . . . A 21 LEU CD1 . 30872 1
219 . 1 . 1 21 21 LEU CD2 C 13 24.665 0.000 . 1 . . . . A 21 LEU CD2 . 30872 1
220 . 1 . 1 21 21 LEU N N 15 117.948 0.000 . 1 . . . . A 21 LEU N . 30872 1
221 . 1 . 1 22 22 SER H H 1 9.268 0.001 . 1 . . . . A 22 SER H . 30872 1
222 . 1 . 1 22 22 SER HA H 1 4.561 0.003 . 1 . . . . A 22 SER HA . 30872 1
223 . 1 . 1 22 22 SER HB2 H 1 3.574 0.003 . 2 . . . . A 22 SER HB2 . 30872 1
224 . 1 . 1 22 22 SER HB3 H 1 3.574 0.003 . 2 . . . . A 22 SER HB3 . 30872 1
225 . 1 . 1 22 22 SER CA C 13 56.556 0.000 . 1 . . . . A 22 SER CA . 30872 1
226 . 1 . 1 22 22 SER CB C 13 65.996 0.000 . 1 . . . . A 22 SER CB . 30872 1
227 . 1 . 1 22 22 SER N N 15 114.513 0.000 . 1 . . . . A 22 SER N . 30872 1
228 . 1 . 1 23 23 CYS H H 1 8.984 0.007 . 1 . . . . A 23 CYS H . 30872 1
229 . 1 . 1 23 23 CYS HA H 1 4.440 0.003 . 1 . . . . A 23 CYS HA . 30872 1
230 . 1 . 1 23 23 CYS HB2 H 1 2.849 0.004 . 2 . . . . A 23 CYS HB2 . 30872 1
231 . 1 . 1 23 23 CYS HB3 H 1 2.730 0.001 . 2 . . . . A 23 CYS HB3 . 30872 1
232 . 1 . 1 23 23 CYS CA C 13 55.598 0.000 . 1 . . . . A 23 CYS CA . 30872 1
233 . 1 . 1 23 23 CYS CB C 13 38.941 0.000 . 1 . . . . A 23 CYS CB . 30872 1
234 . 1 . 1 23 23 CYS N N 15 123.285 0.000 . 1 . . . . A 23 CYS N . 30872 1
235 . 1 . 1 24 24 SER H H 1 7.967 0.003 . 1 . . . . A 24 SER H . 30872 1
236 . 1 . 1 24 24 SER HA H 1 4.197 0.004 . 1 . . . . A 24 SER HA . 30872 1
237 . 1 . 1 24 24 SER HB2 H 1 4.071 0.004 . 1 . . . . A 24 SER HB2 . 30872 1
238 . 1 . 1 24 24 SER HB3 H 1 3.598 0.007 . 1 . . . . A 24 SER HB3 . 30872 1
239 . 1 . 1 24 24 SER CA C 13 57.933 0.000 . 1 . . . . A 24 SER CA . 30872 1
240 . 1 . 1 24 24 SER CB C 13 63.244 0.000 . 1 . . . . A 24 SER CB . 30872 1
241 . 1 . 1 24 24 SER N N 15 124.556 0.000 . 1 . . . . A 24 SER N . 30872 1
242 . 1 . 1 25 25 ARG H H 1 9.177 0.002 . 1 . . . . A 25 ARG H . 30872 1
243 . 1 . 1 25 25 ARG HA H 1 3.835 0.003 . 1 . . . . A 25 ARG HA . 30872 1
244 . 1 . 1 25 25 ARG HB2 H 1 1.706 0.007 . 2 . . . . A 25 ARG HB2 . 30872 1
245 . 1 . 1 25 25 ARG HB3 H 1 1.706 0.007 . 2 . . . . A 25 ARG HB3 . 30872 1
246 . 1 . 1 25 25 ARG HG2 H 1 1.487 0.007 . 2 . . . . A 25 ARG HG2 . 30872 1
247 . 1 . 1 25 25 ARG HG3 H 1 1.598 0.002 . 2 . . . . A 25 ARG HG3 . 30872 1
248 . 1 . 1 25 25 ARG HD2 H 1 3.081 0.010 . 2 . . . . A 25 ARG HD2 . 30872 1
249 . 1 . 1 25 25 ARG HD3 H 1 3.081 0.010 . 2 . . . . A 25 ARG HD3 . 30872 1
250 . 1 . 1 25 25 ARG HE H 1 7.100 0.007 . 1 . . . . A 25 ARG HE . 30872 1
251 . 1 . 1 25 25 ARG CA C 13 58.971 0.000 . 1 . . . . A 25 ARG CA . 30872 1
252 . 1 . 1 25 25 ARG CB C 13 29.602 0.000 . 1 . . . . A 25 ARG CB . 30872 1
253 . 1 . 1 25 25 ARG CG C 13 27.453 0.000 . 1 . . . . A 25 ARG CG . 30872 1
254 . 1 . 1 25 25 ARG CD C 13 43.025 0.000 . 1 . . . . A 25 ARG CD . 30872 1
255 . 1 . 1 25 25 ARG N N 15 134.507 0.000 . 1 . . . . A 25 ARG N . 30872 1
256 . 1 . 1 25 25 ARG NE N 15 84.361 0.000 . 1 . . . . A 25 ARG NE . 30872 1
257 . 1 . 1 26 26 LYS H H 1 7.812 0.003 . 1 . . . . A 26 LYS H . 30872 1
258 . 1 . 1 26 26 LYS HA H 1 3.774 0.001 . 1 . . . . A 26 LYS HA . 30872 1
259 . 1 . 1 26 26 LYS HB2 H 1 0.909 0.007 . 2 . . . . A 26 LYS HB2 . 30872 1
260 . 1 . 1 26 26 LYS HB3 H 1 1.324 0.003 . 2 . . . . A 26 LYS HB3 . 30872 1
261 . 1 . 1 26 26 LYS HG2 H 1 0.663 0.002 . 2 . . . . A 26 LYS HG2 . 30872 1
262 . 1 . 1 26 26 LYS HG3 H 1 0.852 0.008 . 2 . . . . A 26 LYS HG3 . 30872 1
263 . 1 . 1 26 26 LYS HD2 H 1 1.357 0.000 . 2 . . . . A 26 LYS HD2 . 30872 1
264 . 1 . 1 26 26 LYS HD3 H 1 1.332 0.012 . 2 . . . . A 26 LYS HD3 . 30872 1
265 . 1 . 1 26 26 LYS HE2 H 1 2.744 0.012 . 2 . . . . A 26 LYS HE2 . 30872 1
266 . 1 . 1 26 26 LYS HE3 H 1 2.744 0.012 . 2 . . . . A 26 LYS HE3 . 30872 1
267 . 1 . 1 26 26 LYS CA C 13 58.057 0.000 . 1 . . . . A 26 LYS CA . 30872 1
268 . 1 . 1 26 26 LYS CB C 13 33.037 0.000 . 1 . . . . A 26 LYS CB . 30872 1
269 . 1 . 1 26 26 LYS CG C 13 24.506 0.000 . 1 . . . . A 26 LYS CG . 30872 1
270 . 1 . 1 26 26 LYS CD C 13 28.701 0.000 . 1 . . . . A 26 LYS CD . 30872 1
271 . 1 . 1 26 26 LYS CE C 13 41.806 0.000 . 1 . . . . A 26 LYS CE . 30872 1
272 . 1 . 1 26 26 LYS N N 15 117.170 0.000 . 1 . . . . A 26 LYS N . 30872 1
273 . 1 . 1 27 27 HIS H H 1 7.441 0.008 . 1 . . . . A 27 HIS H . 30872 1
274 . 1 . 1 27 27 HIS HA H 1 4.120 0.013 . 1 . . . . A 27 HIS HA . 30872 1
275 . 1 . 1 27 27 HIS HB2 H 1 1.132 0.007 . 2 . . . . A 27 HIS HB2 . 30872 1
276 . 1 . 1 27 27 HIS HB3 H 1 0.371 0.004 . 2 . . . . A 27 HIS HB3 . 30872 1
277 . 1 . 1 27 27 HIS HD2 H 1 6.862 0.002 . 1 . . . . A 27 HIS HD2 . 30872 1
278 . 1 . 1 27 27 HIS HE1 H 1 8.618 0.004 . 1 . . . . A 27 HIS HE1 . 30872 1
279 . 1 . 1 27 27 HIS CA C 13 55.498 0.000 . 1 . . . . A 27 HIS CA . 30872 1
280 . 1 . 1 27 27 HIS CB C 13 27.766 0.000 . 1 . . . . A 27 HIS CB . 30872 1
281 . 1 . 1 27 27 HIS CD2 C 13 120.253 0.000 . 1 . . . . A 27 HIS CD2 . 30872 1
282 . 1 . 1 27 27 HIS CE1 C 13 137.370 0.000 . 1 . . . . A 27 HIS CE1 . 30872 1
283 . 1 . 1 27 27 HIS N N 15 110.834 0.000 . 1 . . . . A 27 HIS N . 30872 1
284 . 1 . 1 28 28 GLY H H 1 7.651 0.003 . 1 . . . . A 28 GLY H . 30872 1
285 . 1 . 1 28 28 GLY HA2 H 1 3.056 0.009 . 1 . . . . A 28 GLY HA2 . 30872 1
286 . 1 . 1 28 28 GLY HA3 H 1 3.271 0.007 . 1 . . . . A 28 GLY HA3 . 30872 1
287 . 1 . 1 28 28 GLY CA C 13 45.323 0.000 . 1 . . . . A 28 GLY CA . 30872 1
288 . 1 . 1 28 28 GLY N N 15 103.416 0.000 . 1 . . . . A 28 GLY N . 30872 1
289 . 1 . 1 29 29 TRP H H 1 5.984 0.003 . 1 . . . . A 29 TRP H . 30872 1
290 . 1 . 1 29 29 TRP HA H 1 5.361 0.003 . 1 . . . . A 29 TRP HA . 30872 1
291 . 1 . 1 29 29 TRP HB2 H 1 2.518 0.009 . 1 . . . . A 29 TRP HB2 . 30872 1
292 . 1 . 1 29 29 TRP HB3 H 1 2.768 0.007 . 1 . . . . A 29 TRP HB3 . 30872 1
293 . 1 . 1 29 29 TRP HD1 H 1 6.711 0.003 . 1 . . . . A 29 TRP HD1 . 30872 1
294 . 1 . 1 29 29 TRP HE1 H 1 10.172 0.002 . 1 . . . . A 29 TRP HE1 . 30872 1
295 . 1 . 1 29 29 TRP HE3 H 1 7.457 0.009 . 1 . . . . A 29 TRP HE3 . 30872 1
296 . 1 . 1 29 29 TRP HZ2 H 1 6.719 0.006 . 1 . . . . A 29 TRP HZ2 . 30872 1
297 . 1 . 1 29 29 TRP HZ3 H 1 7.225 0.005 . 1 . . . . A 29 TRP HZ3 . 30872 1
298 . 1 . 1 29 29 TRP HH2 H 1 6.987 0.004 . 1 . . . . A 29 TRP HH2 . 30872 1
299 . 1 . 1 29 29 TRP CA C 13 54.135 0.000 . 1 . . . . A 29 TRP CA . 30872 1
300 . 1 . 1 29 29 TRP CB C 13 31.404 0.000 . 1 . . . . A 29 TRP CB . 30872 1
301 . 1 . 1 29 29 TRP CD1 C 13 127.014 0.000 . 1 . . . . A 29 TRP CD1 . 30872 1
302 . 1 . 1 29 29 TRP CE3 C 13 121.248 0.000 . 1 . . . . A 29 TRP CE3 . 30872 1
303 . 1 . 1 29 29 TRP CZ2 C 13 113.659 0.000 . 1 . . . . A 29 TRP CZ2 . 30872 1
304 . 1 . 1 29 29 TRP CZ3 C 13 122.041 0.000 . 1 . . . . A 29 TRP CZ3 . 30872 1
305 . 1 . 1 29 29 TRP CH2 C 13 124.223 0.000 . 1 . . . . A 29 TRP CH2 . 30872 1
306 . 1 . 1 29 29 TRP N N 15 110.809 0.000 . 1 . . . . A 29 TRP N . 30872 1
307 . 1 . 1 29 29 TRP NE1 N 15 131.104 0.000 . 1 . . . . A 29 TRP NE1 . 30872 1
308 . 1 . 1 30 30 CYS H H 1 8.545 0.005 . 1 . . . . A 30 CYS H . 30872 1
309 . 1 . 1 30 30 CYS HA H 1 4.891 0.005 . 1 . . . . A 30 CYS HA . 30872 1
310 . 1 . 1 30 30 CYS HB2 H 1 3.133 0.006 . 1 . . . . A 30 CYS HB2 . 30872 1
311 . 1 . 1 30 30 CYS HB3 H 1 2.621 0.006 . 1 . . . . A 30 CYS HB3 . 30872 1
312 . 1 . 1 30 30 CYS CA C 13 56.065 0.000 . 1 . . . . A 30 CYS CA . 30872 1
313 . 1 . 1 30 30 CYS CB C 13 41.770 0.000 . 1 . . . . A 30 CYS CB . 30872 1
314 . 1 . 1 30 30 CYS N N 15 119.264 0.000 . 1 . . . . A 30 CYS N . 30872 1
315 . 1 . 1 31 31 VAL H H 1 9.378 0.002 . 1 . . . . A 31 VAL H . 30872 1
316 . 1 . 1 31 31 VAL HA H 1 4.835 0.005 . 1 . . . . A 31 VAL HA . 30872 1
317 . 1 . 1 31 31 VAL HB H 1 2.484 0.006 . 1 . . . . A 31 VAL HB . 30872 1
318 . 1 . 1 31 31 VAL HG11 H 1 1.172 0.004 . 1 . . . . A 31 VAL HG11 . 30872 1
319 . 1 . 1 31 31 VAL HG12 H 1 1.172 0.004 . 1 . . . . A 31 VAL HG12 . 30872 1
320 . 1 . 1 31 31 VAL HG13 H 1 1.172 0.004 . 1 . . . . A 31 VAL HG13 . 30872 1
321 . 1 . 1 31 31 VAL HG21 H 1 0.848 0.005 . 1 . . . . A 31 VAL HG21 . 30872 1
322 . 1 . 1 31 31 VAL HG22 H 1 0.848 0.005 . 1 . . . . A 31 VAL HG22 . 30872 1
323 . 1 . 1 31 31 VAL HG23 H 1 0.848 0.005 . 1 . . . . A 31 VAL HG23 . 30872 1
324 . 1 . 1 31 31 VAL CA C 13 59.338 0.000 . 1 . . . . A 31 VAL CA . 30872 1
325 . 1 . 1 31 31 VAL CB C 13 35.256 0.000 . 1 . . . . A 31 VAL CB . 30872 1
326 . 1 . 1 31 31 VAL CG1 C 13 22.859 0.000 . 1 . . . . A 31 VAL CG1 . 30872 1
327 . 1 . 1 31 31 VAL CG2 C 13 17.924 0.000 . 1 . . . . A 31 VAL CG2 . 30872 1
328 . 1 . 1 31 31 VAL N N 15 116.891 0.000 . 1 . . . . A 31 VAL N . 30872 1
329 . 1 . 1 32 32 TRP H H 1 7.536 0.007 . 1 . . . . A 32 TRP H . 30872 1
330 . 1 . 1 32 32 TRP HA H 1 4.599 0.001 . 1 . . . . A 32 TRP HA . 30872 1
331 . 1 . 1 32 32 TRP HB2 H 1 2.621 0.004 . 2 . . . . A 32 TRP HB2 . 30872 1
332 . 1 . 1 32 32 TRP HB3 H 1 2.621 0.004 . 2 . . . . A 32 TRP HB3 . 30872 1
333 . 1 . 1 32 32 TRP HD1 H 1 6.755 0.007 . 1 . . . . A 32 TRP HD1 . 30872 1
334 . 1 . 1 32 32 TRP HE1 H 1 8.304 0.003 . 1 . . . . A 32 TRP HE1 . 30872 1
335 . 1 . 1 32 32 TRP HE3 H 1 7.500 0.005 . 1 . . . . A 32 TRP HE3 . 30872 1
336 . 1 . 1 32 32 TRP HZ2 H 1 7.111 0.002 . 1 . . . . A 32 TRP HZ2 . 30872 1
337 . 1 . 1 32 32 TRP HZ3 H 1 6.982 0.006 . 1 . . . . A 32 TRP HZ3 . 30872 1
338 . 1 . 1 32 32 TRP HH2 H 1 7.114 0.003 . 1 . . . . A 32 TRP HH2 . 30872 1
339 . 1 . 1 32 32 TRP CA C 13 58.116 0.000 . 1 . . . . A 32 TRP CA . 30872 1
340 . 1 . 1 32 32 TRP CB C 13 29.598 0.000 . 1 . . . . A 32 TRP CB . 30872 1
341 . 1 . 1 32 32 TRP CD1 C 13 127.930 0.000 . 1 . . . . A 32 TRP CD1 . 30872 1
342 . 1 . 1 32 32 TRP CE3 C 13 122.147 0.000 . 1 . . . . A 32 TRP CE3 . 30872 1
343 . 1 . 1 32 32 TRP CZ2 C 13 114.029 0.000 . 1 . . . . A 32 TRP CZ2 . 30872 1
344 . 1 . 1 32 32 TRP CZ3 C 13 121.315 0.000 . 1 . . . . A 32 TRP CZ3 . 30872 1
345 . 1 . 1 32 32 TRP CH2 C 13 124.361 0.000 . 1 . . . . A 32 TRP CH2 . 30872 1
346 . 1 . 1 32 32 TRP N N 15 121.248 0.000 . 1 . . . . A 32 TRP N . 30872 1
347 . 1 . 1 32 32 TRP NE1 N 15 127.451 0.000 . 1 . . . . A 32 TRP NE1 . 30872 1
348 . 1 . 1 33 33 ASP H H 1 8.892 0.002 . 1 . . . . A 33 ASP H . 30872 1
349 . 1 . 1 33 33 ASP HA H 1 4.497 0.000 . 1 . . . . A 33 ASP HA . 30872 1
350 . 1 . 1 33 33 ASP HB2 H 1 2.546 0.015 . 2 . . . . A 33 ASP HB2 . 30872 1
351 . 1 . 1 33 33 ASP HB3 H 1 2.546 0.015 . 2 . . . . A 33 ASP HB3 . 30872 1
352 . 1 . 1 33 33 ASP CA C 13 54.463 0.000 . 1 . . . . A 33 ASP CA . 30872 1
353 . 1 . 1 33 33 ASP CB C 13 38.930 0.000 . 1 . . . . A 33 ASP CB . 30872 1
354 . 1 . 1 33 33 ASP N N 15 123.261 0.000 . 1 . . . . A 33 ASP N . 30872 1
355 . 1 . 1 34 34 TRP H H 1 7.971 0.001 . 1 . . . . A 34 TRP H . 30872 1
356 . 1 . 1 34 34 TRP HA H 1 4.708 0.000 . 1 . . . . A 34 TRP HA . 30872 1
357 . 1 . 1 34 34 TRP HB2 H 1 3.236 0.009 . 1 . . . . A 34 TRP HB2 . 30872 1
358 . 1 . 1 34 34 TRP HB3 H 1 3.327 0.004 . 1 . . . . A 34 TRP HB3 . 30872 1
359 . 1 . 1 34 34 TRP HD1 H 1 7.165 0.006 . 1 . . . . A 34 TRP HD1 . 30872 1
360 . 1 . 1 34 34 TRP HE1 H 1 9.772 0.004 . 1 . . . . A 34 TRP HE1 . 30872 1
361 . 1 . 1 34 34 TRP HE3 H 1 7.531 0.003 . 1 . . . . A 34 TRP HE3 . 30872 1
362 . 1 . 1 34 34 TRP HZ2 H 1 6.889 0.000 . 1 . . . . A 34 TRP HZ2 . 30872 1
363 . 1 . 1 34 34 TRP HZ3 H 1 6.813 0.001 . 1 . . . . A 34 TRP HZ3 . 30872 1
364 . 1 . 1 34 34 TRP HH2 H 1 6.753 0.002 . 1 . . . . A 34 TRP HH2 . 30872 1
365 . 1 . 1 34 34 TRP CB C 13 28.786 0.000 . 1 . . . . A 34 TRP CB . 30872 1
366 . 1 . 1 34 34 TRP CD1 C 13 127.117 0.000 . 1 . . . . A 34 TRP CD1 . 30872 1
367 . 1 . 1 34 34 TRP CE3 C 13 120.406 0.000 . 1 . . . . A 34 TRP CE3 . 30872 1
368 . 1 . 1 34 34 TRP CZ2 C 13 114.631 0.000 . 1 . . . . A 34 TRP CZ2 . 30872 1
369 . 1 . 1 34 34 TRP CZ3 C 13 121.907 0.000 . 1 . . . . A 34 TRP CZ3 . 30872 1
370 . 1 . 1 34 34 TRP CH2 C 13 124.644 0.000 . 1 . . . . A 34 TRP CH2 . 30872 1
371 . 1 . 1 34 34 TRP N N 15 120.413 0.000 . 1 . . . . A 34 TRP N . 30872 1
372 . 1 . 1 34 34 TRP NE1 N 15 129.547 0.000 . 1 . . . . A 34 TRP NE1 . 30872 1
373 . 1 . 1 35 35 THR H H 1 7.975 0.005 . 1 . . . . A 35 THR H . 30872 1
374 . 1 . 1 35 35 THR HA H 1 4.233 0.012 . 1 . . . . A 35 THR HA . 30872 1
375 . 1 . 1 35 35 THR HB H 1 4.149 0.002 . 1 . . . . A 35 THR HB . 30872 1
376 . 1 . 1 35 35 THR HG21 H 1 0.979 0.003 . 1 . . . . A 35 THR HG21 . 30872 1
377 . 1 . 1 35 35 THR HG22 H 1 0.979 0.003 . 1 . . . . A 35 THR HG22 . 30872 1
378 . 1 . 1 35 35 THR HG23 H 1 0.979 0.003 . 1 . . . . A 35 THR HG23 . 30872 1
379 . 1 . 1 35 35 THR CA C 13 62.555 0.000 . 1 . . . . A 35 THR CA . 30872 1
380 . 1 . 1 35 35 THR CB C 13 69.860 0.000 . 1 . . . . A 35 THR CB . 30872 1
381 . 1 . 1 35 35 THR CG2 C 13 21.505 0.000 . 1 . . . . A 35 THR CG2 . 30872 1
382 . 1 . 1 35 35 THR N N 15 114.539 0.000 . 1 . . . . A 35 THR N . 30872 1
383 . 1 . 1 36 36 VAL H H 1 7.647 0.002 . 1 . . . . A 36 VAL H . 30872 1
384 . 1 . 1 36 36 VAL HA H 1 3.966 0.009 . 1 . . . . A 36 VAL HA . 30872 1
385 . 1 . 1 36 36 VAL HB H 1 1.966 0.007 . 1 . . . . A 36 VAL HB . 30872 1
386 . 1 . 1 36 36 VAL HG11 H 1 0.827 0.002 . 2 . . . . A 36 VAL HG11 . 30872 1
387 . 1 . 1 36 36 VAL HG12 H 1 0.827 0.002 . 2 . . . . A 36 VAL HG12 . 30872 1
388 . 1 . 1 36 36 VAL HG13 H 1 0.827 0.002 . 2 . . . . A 36 VAL HG13 . 30872 1
389 . 1 . 1 36 36 VAL HG21 H 1 0.827 0.002 . 2 . . . . A 36 VAL HG21 . 30872 1
390 . 1 . 1 36 36 VAL HG22 H 1 0.827 0.002 . 2 . . . . A 36 VAL HG22 . 30872 1
391 . 1 . 1 36 36 VAL HG23 H 1 0.827 0.002 . 2 . . . . A 36 VAL HG23 . 30872 1
392 . 1 . 1 36 36 VAL CA C 13 62.264 0.000 . 1 . . . . A 36 VAL CA . 30872 1
393 . 1 . 1 36 36 VAL CB C 13 32.409 0.000 . 1 . . . . A 36 VAL CB . 30872 1
394 . 1 . 1 36 36 VAL CG1 C 13 21.081 0.000 . 1 . . . . A 36 VAL CG1 . 30872 1
395 . 1 . 1 36 36 VAL CG2 C 13 20.415 0.000 . 1 . . . . A 36 VAL CG2 . 30872 1
396 . 1 . 1 36 36 VAL N N 15 122.048 0.000 . 1 . . . . A 36 VAL N . 30872 1
stop_
save_