###################################
# 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 50428
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name chemical_shifts
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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 0.1
_Assigned_chem_shift_list.Chem_shift_13C_err 0.3
_Assigned_chem_shift_list.Chem_shift_15N_err 0.3
_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 '3D NCOCX' . . . 50428 1
2 '3D NCACX' . . . 50428 1
3 '3D CONCA' . . . 50428 1
4 '3D CANCO' . . . 50428 1
5 '2D DARR' . . . 50428 1
6 '2D RFDR' . . . 50428 1
9 '2D NCO' . . . 50428 1
10 '2D NCA' . . . 50428 1
11 '3D (H)NCAH' . . . 50428 1
12 '3D (H)CBCAH' . . . 50428 1
13 '3D (H)COCAH' . . . 50428 1
14 '3D (H)CCH-TOCSY' . . . 50428 1
15 '2D 1H-13C CP-HSQC' . . . 50428 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $software_2 . . 50428 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 5 5 ILE HA H 1 3.194 0.100 . 1 . . . . . 5 ILE HA . 50428 1
2 . 1 . 1 5 5 ILE HB H 1 1.504 0.100 . 1 . . . . . 5 ILE HB . 50428 1
3 . 1 . 1 5 5 ILE HG12 H 1 1.072 0.100 . 1 . . . . . 5 ILE HG12 . 50428 1
4 . 1 . 1 5 5 ILE HG13 H 1 1.072 0.100 . 1 . . . . . 5 ILE HG13 . 50428 1
5 . 1 . 1 5 5 ILE HG21 H 1 0.372 0.100 . 1 . . . . . 5 ILE HG2 . 50428 1
6 . 1 . 1 5 5 ILE HG22 H 1 0.372 0.100 . 1 . . . . . 5 ILE HG2 . 50428 1
7 . 1 . 1 5 5 ILE HG23 H 1 0.372 0.100 . 1 . . . . . 5 ILE HG2 . 50428 1
8 . 1 . 1 5 5 ILE HD11 H 1 0.309 0.100 . 1 . . . . . 5 ILE HD1 . 50428 1
9 . 1 . 1 5 5 ILE HD12 H 1 0.309 0.100 . 1 . . . . . 5 ILE HD1 . 50428 1
10 . 1 . 1 5 5 ILE HD13 H 1 0.309 0.100 . 1 . . . . . 5 ILE HD1 . 50428 1
11 . 1 . 1 5 5 ILE C C 13 177.537 0.3 . 1 . . . . . 5 ILE C . 50428 1
12 . 1 . 1 5 5 ILE CA C 13 63.566 0.3 . 1 . . . . . 5 ILE CA . 50428 1
13 . 1 . 1 5 5 ILE CB C 13 36.786 0.3 . 1 . . . . . 5 ILE CB . 50428 1
14 . 1 . 1 5 5 ILE CG1 C 13 28.910 0.3 . 1 . . . . . 5 ILE CG1 . 50428 1
15 . 1 . 1 5 5 ILE CG2 C 13 17.278 0.3 . 1 . . . . . 5 ILE CG2 . 50428 1
16 . 1 . 1 5 5 ILE CD1 C 13 12.757 0.3 . 1 . . . . . 5 ILE CD1 . 50428 1
17 . 1 . 1 5 5 ILE N N 15 120.095 0.3 . 1 . . . . . 5 ILE N . 50428 1
18 . 1 . 1 6 6 GLU HA H 1 3.521 0.100 . 1 . . . . . 6 GLU HA . 50428 1
19 . 1 . 1 6 6 GLU HB2 H 1 1.589 0.100 . 1 . . . . . 6 GLU HB2 . 50428 1
20 . 1 . 1 6 6 GLU HB3 H 1 1.589 0.100 . 1 . . . . . 6 GLU HB3 . 50428 1
21 . 1 . 1 6 6 GLU HG2 H 1 1.835 0.100 . 1 . . . . . 6 GLU HG2 . 50428 1
22 . 1 . 1 6 6 GLU HG3 H 1 1.835 0.100 . 1 . . . . . 6 GLU HG3 . 50428 1
23 . 1 . 1 6 6 GLU C C 13 179.233 0.3 . 1 . . . . . 6 GLU C . 50428 1
24 . 1 . 1 6 6 GLU CA C 13 59.143 0.3 . 1 . . . . . 6 GLU CA . 50428 1
25 . 1 . 1 6 6 GLU CB C 13 28.763 0.3 . 1 . . . . . 6 GLU CB . 50428 1
26 . 1 . 1 6 6 GLU CG C 13 35.860 0.3 . 1 . . . . . 6 GLU CG . 50428 1
27 . 1 . 1 6 6 GLU CD C 13 182.664 0.3 . 1 . . . . . 6 GLU CD . 50428 1
28 . 1 . 1 6 6 GLU N N 15 122.295 0.3 . 1 . . . . . 6 GLU N . 50428 1
29 . 1 . 1 7 7 ASN HA H 1 3.996 0.100 . 1 . . . . . 7 ASN HA . 50428 1
30 . 1 . 1 7 7 ASN HB2 H 1 2.325 0.100 . 1 . . . . . 7 ASN HB2 . 50428 1
31 . 1 . 1 7 7 ASN HB3 H 1 2.325 0.100 . 1 . . . . . 7 ASN HB3 . 50428 1
32 . 1 . 1 7 7 ASN C C 13 177.545 0.3 . 1 . . . . . 7 ASN C . 50428 1
33 . 1 . 1 7 7 ASN CA C 13 55.264 0.3 . 1 . . . . . 7 ASN CA . 50428 1
34 . 1 . 1 7 7 ASN CB C 13 37.255 0.3 . 1 . . . . . 7 ASN CB . 50428 1
35 . 1 . 1 7 7 ASN CG C 13 175.140 0.3 . 1 . . . . . 7 ASN CG . 50428 1
36 . 1 . 1 7 7 ASN N N 15 117.407 0.3 . 1 . . . . . 7 ASN N . 50428 1
37 . 1 . 1 8 8 LEU H H 1 8.223 0.100 . 1 . . . . . 8 LEU H . 50428 1
38 . 1 . 1 8 8 LEU HA H 1 3.758 0.100 . 1 . . . . . 8 LEU HA . 50428 1
39 . 1 . 1 8 8 LEU HB2 H 1 1.178 0.100 . 1 . . . . . 8 LEU HB2 . 50428 1
40 . 1 . 1 8 8 LEU HB3 H 1 1.178 0.100 . 1 . . . . . 8 LEU HB3 . 50428 1
41 . 1 . 1 8 8 LEU HG H 1 1.098 0.100 . 1 . . . . . 8 LEU HG . 50428 1
42 . 1 . 1 8 8 LEU HD11 H 1 0.487 0.100 . 1 . . . . . 8 LEU HD1 . 50428 1
43 . 1 . 1 8 8 LEU HD12 H 1 0.487 0.100 . 1 . . . . . 8 LEU HD1 . 50428 1
44 . 1 . 1 8 8 LEU HD13 H 1 0.487 0.100 . 1 . . . . . 8 LEU HD1 . 50428 1
45 . 1 . 1 8 8 LEU HD21 H 1 0.305 0.100 . 1 . . . . . 8 LEU HD2 . 50428 1
46 . 1 . 1 8 8 LEU HD22 H 1 0.305 0.100 . 1 . . . . . 8 LEU HD2 . 50428 1
47 . 1 . 1 8 8 LEU HD23 H 1 0.305 0.100 . 1 . . . . . 8 LEU HD2 . 50428 1
48 . 1 . 1 8 8 LEU C C 13 177.449 0.3 . 1 . . . . . 8 LEU C . 50428 1
49 . 1 . 1 8 8 LEU CA C 13 57.190 0.3 . 1 . . . . . 8 LEU CA . 50428 1
50 . 1 . 1 8 8 LEU CB C 13 40.737 0.3 . 1 . . . . . 8 LEU CB . 50428 1
51 . 1 . 1 8 8 LEU CG C 13 27.006 0.3 . 1 . . . . . 8 LEU CG . 50428 1
52 . 1 . 1 8 8 LEU CD1 C 13 23.374 0.3 . 1 . . . . . 8 LEU CD1 . 50428 1
53 . 1 . 1 8 8 LEU CD2 C 13 25.679 0.3 . 1 . . . . . 8 LEU CD2 . 50428 1
54 . 1 . 1 8 8 LEU N N 15 123.342 0.3 . 1 . . . . . 8 LEU N . 50428 1
55 . 1 . 1 9 9 ASN HA H 1 3.605 0.100 . 1 . . . . . 9 ASN HA . 50428 1
56 . 1 . 1 9 9 ASN HB2 H 1 2.253 0.100 . 1 . . . . . 9 ASN HB2 . 50428 1
57 . 1 . 1 9 9 ASN HB3 H 1 2.253 0.100 . 1 . . . . . 9 ASN HB3 . 50428 1
58 . 1 . 1 9 9 ASN C C 13 175.911 0.3 . 1 . . . . . 9 ASN C . 50428 1
59 . 1 . 1 9 9 ASN CA C 13 57.095 0.3 . 1 . . . . . 9 ASN CA . 50428 1
60 . 1 . 1 9 9 ASN CB C 13 39.351 0.3 . 1 . . . . . 9 ASN CB . 50428 1
61 . 1 . 1 9 9 ASN N N 15 117.511 0.3 . 1 . . . . . 9 ASN N . 50428 1
62 . 1 . 1 10 10 LYS HA H 1 3.583 0.100 . 1 . . . . . 10 LYS HA . 50428 1
63 . 1 . 1 10 10 LYS HB2 H 1 1.431 0.100 . 1 . . . . . 10 LYS HB2 . 50428 1
64 . 1 . 1 10 10 LYS HB3 H 1 1.431 0.100 . 1 . . . . . 10 LYS HB3 . 50428 1
65 . 1 . 1 10 10 LYS C C 13 177.109 0.3 . 1 . . . . . 10 LYS C . 50428 1
66 . 1 . 1 10 10 LYS CA C 13 59.063 0.3 . 1 . . . . . 10 LYS CA . 50428 1
67 . 1 . 1 10 10 LYS CB C 13 31.963 0.3 . 1 . . . . . 10 LYS CB . 50428 1
68 . 1 . 1 10 10 LYS CG C 13 24.696 0.3 . 1 . . . . . 10 LYS CG . 50428 1
69 . 1 . 1 10 10 LYS CD C 13 28.886 0.3 . 1 . . . . . 10 LYS CD . 50428 1
70 . 1 . 1 10 10 LYS CE C 13 41.656 0.3 . 1 . . . . . 10 LYS CE . 50428 1
71 . 1 . 1 10 10 LYS N N 15 117.302 0.3 . 1 . . . . . 10 LYS N . 50428 1
72 . 1 . 1 11 11 LYS HA H 1 3.612 0.100 . 1 . . . . . 11 LYS HA . 50428 1
73 . 1 . 1 11 11 LYS HB2 H 1 1.443 0.100 . 1 . . . . . 11 LYS HB2 . 50428 1
74 . 1 . 1 11 11 LYS HB3 H 1 1.443 0.100 . 1 . . . . . 11 LYS HB3 . 50428 1
75 . 1 . 1 11 11 LYS C C 13 179.742 0.3 . 1 . . . . . 11 LYS C . 50428 1
76 . 1 . 1 11 11 LYS CA C 13 59.073 0.3 . 1 . . . . . 11 LYS CA . 50428 1
77 . 1 . 1 11 11 LYS CB C 13 31.811 0.3 . 1 . . . . . 11 LYS CB . 50428 1
78 . 1 . 1 11 11 LYS CG C 13 24.811 0.3 . 1 . . . . . 11 LYS CG . 50428 1
79 . 1 . 1 11 11 LYS CD C 13 29.930 0.3 . 1 . . . . . 11 LYS CD . 50428 1
80 . 1 . 1 11 11 LYS CE C 13 41.592 0.3 . 1 . . . . . 11 LYS CE . 50428 1
81 . 1 . 1 11 11 LYS N N 15 119.327 0.3 . 1 . . . . . 11 LYS N . 50428 1
82 . 1 . 1 12 12 VAL H H 1 8.467 0.100 . 1 . . . . . 12 VAL H . 50428 1
83 . 1 . 1 12 12 VAL HA H 1 2.928 0.100 . 1 . . . . . 12 VAL HA . 50428 1
84 . 1 . 1 12 12 VAL HB H 1 1.616 0.100 . 1 . . . . . 12 VAL HB . 50428 1
85 . 1 . 1 12 12 VAL HG11 H 1 -0.083 0.100 . 1 . . . . . 12 VAL HG1 . 50428 1
86 . 1 . 1 12 12 VAL HG12 H 1 -0.083 0.100 . 1 . . . . . 12 VAL HG1 . 50428 1
87 . 1 . 1 12 12 VAL HG13 H 1 -0.083 0.100 . 1 . . . . . 12 VAL HG1 . 50428 1
88 . 1 . 1 12 12 VAL HG21 H 1 0.294 0.100 . 1 . . . . . 12 VAL HG2 . 50428 1
89 . 1 . 1 12 12 VAL HG22 H 1 0.294 0.100 . 1 . . . . . 12 VAL HG2 . 50428 1
90 . 1 . 1 12 12 VAL HG23 H 1 0.294 0.100 . 1 . . . . . 12 VAL HG2 . 50428 1
91 . 1 . 1 12 12 VAL C C 13 175.780 0.3 . 1 . . . . . 12 VAL C . 50428 1
92 . 1 . 1 12 12 VAL CA C 13 66.591 0.3 . 1 . . . . . 12 VAL CA . 50428 1
93 . 1 . 1 12 12 VAL CB C 13 31.123 0.3 . 1 . . . . . 12 VAL CB . 50428 1
94 . 1 . 1 12 12 VAL CG1 C 13 21.793 0.3 . 1 . . . . . 12 VAL CG1 . 50428 1
95 . 1 . 1 12 12 VAL CG2 C 13 24.355 0.3 . 1 . . . . . 12 VAL CG2 . 50428 1
96 . 1 . 1 12 12 VAL N N 15 120.130 0.3 . 1 . . . . . 12 VAL N . 50428 1
97 . 1 . 1 13 13 ASP HA H 1 3.943 0.100 . 1 . . . . . 13 ASP HA . 50428 1
98 . 1 . 1 13 13 ASP HB2 H 1 2.302 0.100 . 1 . . . . . 13 ASP HB2 . 50428 1
99 . 1 . 1 13 13 ASP HB3 H 1 2.302 0.100 . 1 . . . . . 13 ASP HB3 . 50428 1
100 . 1 . 1 13 13 ASP C C 13 178.980 0.3 . 1 . . . . . 13 ASP C . 50428 1
101 . 1 . 1 13 13 ASP CA C 13 57.591 0.3 . 1 . . . . . 13 ASP CA . 50428 1
102 . 1 . 1 13 13 ASP CB C 13 39.578 0.3 . 1 . . . . . 13 ASP CB . 50428 1
103 . 1 . 1 13 13 ASP N N 15 119.676 0.3 . 1 . . . . . 13 ASP N . 50428 1
104 . 1 . 1 14 14 ASP HA H 1 3.891 0.100 . 1 . . . . . 14 ASP HA . 50428 1
105 . 1 . 1 14 14 ASP HB2 H 1 2.239 0.100 . 1 . . . . . 14 ASP HB2 . 50428 1
106 . 1 . 1 14 14 ASP HB3 H 1 2.239 0.100 . 1 . . . . . 14 ASP HB3 . 50428 1
107 . 1 . 1 14 14 ASP C C 13 178.196 0.3 . 1 . . . . . 14 ASP C . 50428 1
108 . 1 . 1 14 14 ASP CA C 13 56.658 0.3 . 1 . . . . . 14 ASP CA . 50428 1
109 . 1 . 1 14 14 ASP CB C 13 39.535 0.3 . 1 . . . . . 14 ASP CB . 50428 1
110 . 1 . 1 14 14 ASP N N 15 120.060 0.3 . 1 . . . . . 14 ASP N . 50428 1
111 . 1 . 1 15 15 GLY H H 1 8.402 0.100 . 1 . . . . . 15 GLY H . 50428 1
112 . 1 . 1 15 15 GLY HA2 H 1 2.983 0.100 . 2 . . . . . 15 GLY HA2 . 50428 1
113 . 1 . 1 15 15 GLY HA3 H 1 3.312 0.100 . 2 . . . . . 15 GLY HA3 . 50428 1
114 . 1 . 1 15 15 GLY C C 13 177.158 0.3 . 1 . . . . . 15 GLY C . 50428 1
115 . 1 . 1 15 15 GLY CA C 13 46.829 0.3 . 1 . . . . . 15 GLY CA . 50428 1
116 . 1 . 1 15 15 GLY N N 15 108.469 0.3 . 1 . . . . . 15 GLY N . 50428 1
117 . 1 . 1 16 16 PHE HA H 1 4.294 0.100 . 1 . . . . . 16 PHE HA . 50428 1
118 . 1 . 1 16 16 PHE HB2 H 1 2.873 0.100 . 2 . . . . . 16 PHE HB2 . 50428 1
119 . 1 . 1 16 16 PHE HB3 H 1 3.130 0.100 . 2 . . . . . 16 PHE HB3 . 50428 1
120 . 1 . 1 16 16 PHE C C 13 177.977 0.3 . 1 . . . . . 16 PHE C . 50428 1
121 . 1 . 1 16 16 PHE CA C 13 57.765 0.3 . 1 . . . . . 16 PHE CA . 50428 1
122 . 1 . 1 16 16 PHE CB C 13 36.156 0.3 . 1 . . . . . 16 PHE CB . 50428 1
123 . 1 . 1 16 16 PHE CG C 13 140.147 0.3 . 1 . . . . . 16 PHE CG . 50428 1
124 . 1 . 1 16 16 PHE CD1 C 13 130.195 0.3 . 1 . . . . . 16 PHE CD1 . 50428 1
125 . 1 . 1 16 16 PHE CE1 C 13 128.454 0.3 . 1 . . . . . 16 PHE CE1 . 50428 1
126 . 1 . 1 16 16 PHE CZ C 13 128.745 0.3 . 1 . . . . . 16 PHE CZ . 50428 1
127 . 1 . 1 16 16 PHE N N 15 121.142 0.3 . 1 . . . . . 16 PHE N . 50428 1
128 . 1 . 1 17 17 LEU HA H 1 3.912 0.100 . 1 . . . . . 17 LEU HA . 50428 1
129 . 1 . 1 17 17 LEU HB2 H 1 1.297 0.100 . 2 . . . . . 17 LEU HB2 . 50428 1
130 . 1 . 1 17 17 LEU HB3 H 1 1.576 0.100 . 2 . . . . . 17 LEU HB3 . 50428 1
131 . 1 . 1 17 17 LEU HG H 1 1.218 0.100 . 1 . . . . . 17 LEU HG . 50428 1
132 . 1 . 1 17 17 LEU HD11 H 1 0.382 0.100 . 1 . . . . . 17 LEU HD1 . 50428 1
133 . 1 . 1 17 17 LEU HD12 H 1 0.382 0.100 . 1 . . . . . 17 LEU HD1 . 50428 1
134 . 1 . 1 17 17 LEU HD13 H 1 0.382 0.100 . 1 . . . . . 17 LEU HD1 . 50428 1
135 . 1 . 1 17 17 LEU HD21 H 1 0.289 0.100 . 1 . . . . . 17 LEU HD2 . 50428 1
136 . 1 . 1 17 17 LEU HD22 H 1 0.289 0.100 . 1 . . . . . 17 LEU HD2 . 50428 1
137 . 1 . 1 17 17 LEU HD23 H 1 0.289 0.100 . 1 . . . . . 17 LEU HD2 . 50428 1
138 . 1 . 1 17 17 LEU C C 13 180.251 0.3 . 1 . . . . . 17 LEU C . 50428 1
139 . 1 . 1 17 17 LEU CA C 13 58.231 0.3 . 1 . . . . . 17 LEU CA . 50428 1
140 . 1 . 1 17 17 LEU CB C 13 40.597 0.3 . 1 . . . . . 17 LEU CB . 50428 1
141 . 1 . 1 17 17 LEU CG C 13 26.844 0.3 . 1 . . . . . 17 LEU CG . 50428 1
142 . 1 . 1 17 17 LEU CD1 C 13 22.765 0.3 . 1 . . . . . 17 LEU CD1 . 50428 1
143 . 1 . 1 17 17 LEU CD2 C 13 25.252 0.3 . 1 . . . . . 17 LEU CD2 . 50428 1
144 . 1 . 1 17 17 LEU N N 15 120.828 0.3 . 1 . . . . . 17 LEU N . 50428 1
145 . 1 . 1 18 18 ASP H H 1 8.714 0.100 . 1 . . . . . 18 ASP H . 50428 1
146 . 1 . 1 18 18 ASP HA H 1 3.985 0.100 . 1 . . . . . 18 ASP HA . 50428 1
147 . 1 . 1 18 18 ASP HB2 H 1 2.200 0.100 . 1 . . . . . 18 ASP HB2 . 50428 1
148 . 1 . 1 18 18 ASP HB3 H 1 2.200 0.100 . 1 . . . . . 18 ASP HB3 . 50428 1
149 . 1 . 1 18 18 ASP C C 13 179.471 0.3 . 1 . . . . . 18 ASP C . 50428 1
150 . 1 . 1 18 18 ASP CA C 13 57.397 0.3 . 1 . . . . . 18 ASP CA . 50428 1
151 . 1 . 1 18 18 ASP CB C 13 40.162 0.3 . 1 . . . . . 18 ASP CB . 50428 1
152 . 1 . 1 18 18 ASP N N 15 121.631 0.3 . 1 . . . . . 18 ASP N . 50428 1
153 . 1 . 1 19 19 ILE H H 1 8.166 0.100 . 1 . . . . . 19 ILE H . 50428 1
154 . 1 . 1 19 19 ILE HA H 1 2.919 0.100 . 1 . . . . . 19 ILE HA . 50428 1
155 . 1 . 1 19 19 ILE HB H 1 1.118 0.100 . 1 . . . . . 19 ILE HB . 50428 1
156 . 1 . 1 19 19 ILE HG12 H 1 -0.572 0.100 . 2 . . . . . 19 ILE HG12 . 50428 1
157 . 1 . 1 19 19 ILE HG13 H 1 1.204 0.100 . 2 . . . . . 19 ILE HG13 . 50428 1
158 . 1 . 1 19 19 ILE HG21 H 1 -0.534 0.100 . 1 . . . . . 19 ILE HG2 . 50428 1
159 . 1 . 1 19 19 ILE HG22 H 1 -0.534 0.100 . 1 . . . . . 19 ILE HG2 . 50428 1
160 . 1 . 1 19 19 ILE HG23 H 1 -0.534 0.100 . 1 . . . . . 19 ILE HG2 . 50428 1
161 . 1 . 1 19 19 ILE HD11 H 1 0.077 0.100 . 1 . . . . . 19 ILE HD1 . 50428 1
162 . 1 . 1 19 19 ILE HD12 H 1 0.077 0.100 . 1 . . . . . 19 ILE HD1 . 50428 1
163 . 1 . 1 19 19 ILE HD13 H 1 0.077 0.100 . 1 . . . . . 19 ILE HD1 . 50428 1
164 . 1 . 1 19 19 ILE C C 13 177.294 0.3 . 1 . . . . . 19 ILE C . 50428 1
165 . 1 . 1 19 19 ILE CA C 13 64.675 0.3 . 1 . . . . . 19 ILE CA . 50428 1
166 . 1 . 1 19 19 ILE CB C 13 37.801 0.3 . 1 . . . . . 19 ILE CB . 50428 1
167 . 1 . 1 19 19 ILE CG1 C 13 30.686 0.3 . 1 . . . . . 19 ILE CG1 . 50428 1
168 . 1 . 1 19 19 ILE CG2 C 13 16.541 0.3 . 1 . . . . . 19 ILE CG2 . 50428 1
169 . 1 . 1 19 19 ILE CD1 C 13 15.266 0.3 . 1 . . . . . 19 ILE CD1 . 50428 1
170 . 1 . 1 19 19 ILE N N 15 121.914 0.3 . 1 . . . . . 19 ILE N . 50428 1
171 . 1 . 1 20 20 TRP H H 1 8.961 0.100 . 1 . . . . . 20 TRP H . 50428 1
172 . 1 . 1 20 20 TRP HA H 1 3.693 0.100 . 1 . . . . . 20 TRP HA . 50428 1
173 . 1 . 1 20 20 TRP HB2 H 1 2.466 0.100 . 2 . . . . . 20 TRP HB2 . 50428 1
174 . 1 . 1 20 20 TRP HB3 H 1 2.694 0.100 . 2 . . . . . 20 TRP HB3 . 50428 1
175 . 1 . 1 20 20 TRP C C 13 177.871 0.3 . 1 . . . . . 20 TRP C . 50428 1
176 . 1 . 1 20 20 TRP CA C 13 61.454 0.3 . 1 . . . . . 20 TRP CA . 50428 1
177 . 1 . 1 20 20 TRP CB C 13 28.023 0.3 . 1 . . . . . 20 TRP CB . 50428 1
178 . 1 . 1 20 20 TRP CG C 13 111.413 0.3 . 1 . . . . . 20 TRP CG . 50428 1
179 . 1 . 1 20 20 TRP CD1 C 13 128.622 0.3 . 1 . . . . . 20 TRP CD1 . 50428 1
180 . 1 . 1 20 20 TRP CD2 C 13 128.224 0.3 . 1 . . . . . 20 TRP CD2 . 50428 1
181 . 1 . 1 20 20 TRP CE2 C 13 138.757 0.3 . 1 . . . . . 20 TRP CE2 . 50428 1
182 . 1 . 1 20 20 TRP CE3 C 13 117.673 0.3 . 1 . . . . . 20 TRP CE3 . 50428 1
183 . 1 . 1 20 20 TRP CZ2 C 13 114.860 0.3 . 1 . . . . . 20 TRP CZ2 . 50428 1
184 . 1 . 1 20 20 TRP CZ3 C 13 120.580 0.3 . 1 . . . . . 20 TRP CZ3 . 50428 1
185 . 1 . 1 20 20 TRP CH2 C 13 123.486 0.3 . 1 . . . . . 20 TRP CH2 . 50428 1
186 . 1 . 1 20 20 TRP N N 15 120.374 0.3 . 1 . . . . . 20 TRP N . 50428 1
187 . 1 . 1 20 20 TRP NE1 N 15 130.400 0.3 . 1 . . . . . 20 TRP NE1 . 50428 1
188 . 1 . 1 21 21 THR H H 1 8.940 0.100 . 1 . . . . . 21 THR H . 50428 1
189 . 1 . 1 21 21 THR HA H 1 3.384 0.100 . 1 . . . . . 21 THR HA . 50428 1
190 . 1 . 1 21 21 THR HB H 1 3.936 0.100 . 1 . . . . . 21 THR HB . 50428 1
191 . 1 . 1 21 21 THR HG21 H 1 0.753 0.100 . 1 . . . . . 21 THR HG2 . 50428 1
192 . 1 . 1 21 21 THR HG22 H 1 0.753 0.100 . 1 . . . . . 21 THR HG2 . 50428 1
193 . 1 . 1 21 21 THR HG23 H 1 0.753 0.100 . 1 . . . . . 21 THR HG2 . 50428 1
194 . 1 . 1 21 21 THR C C 13 175.367 0.3 . 1 . . . . . 21 THR C . 50428 1
195 . 1 . 1 21 21 THR CA C 13 67.172 0.3 . 1 . . . . . 21 THR CA . 50428 1
196 . 1 . 1 21 21 THR CB C 13 68.249 0.3 . 1 . . . . . 21 THR CB . 50428 1
197 . 1 . 1 21 21 THR CG2 C 13 20.676 0.3 . 1 . . . . . 21 THR CG2 . 50428 1
198 . 1 . 1 21 21 THR N N 15 116.746 0.3 . 1 . . . . . 21 THR N . 50428 1
199 . 1 . 1 22 22 TYR H H 1 7.833 0.100 . 1 . . . . . 22 TYR H . 50428 1
200 . 1 . 1 22 22 TYR HA H 1 3.517 0.100 . 1 . . . . . 22 TYR HA . 50428 1
201 . 1 . 1 22 22 TYR HB2 H 1 2.412 0.100 . 1 . . . . . 22 TYR HB2 . 50428 1
202 . 1 . 1 22 22 TYR C C 13 176.002 0.3 . 1 . . . . . 22 TYR C . 50428 1
203 . 1 . 1 22 22 TYR CA C 13 61.724 0.3 . 1 . . . . . 22 TYR CA . 50428 1
204 . 1 . 1 22 22 TYR CB C 13 38.262 0.3 . 1 . . . . . 22 TYR CB . 50428 1
205 . 1 . 1 22 22 TYR CG C 13 127.230 0.3 . 1 . . . . . 22 TYR CG . 50428 1
206 . 1 . 1 22 22 TYR CD1 C 13 132.385 0.3 . 1 . . . . . 22 TYR CD1 . 50428 1
207 . 1 . 1 22 22 TYR CE1 C 13 117.513 0.3 . 1 . . . . . 22 TYR CE1 . 50428 1
208 . 1 . 1 22 22 TYR CZ C 13 158.669 0.3 . 1 . . . . . 22 TYR CZ . 50428 1
209 . 1 . 1 22 22 TYR N N 15 122.687 0.3 . 1 . . . . . 22 TYR N . 50428 1
210 . 1 . 1 23 23 ASN HA H 1 3.669 0.100 . 1 . . . . . 23 ASN HA . 50428 1
211 . 1 . 1 23 23 ASN HB2 H 1 1.795 0.100 . 2 . . . . . 23 ASN HB2 . 50428 1
212 . 1 . 1 23 23 ASN HB3 H 1 2.239 0.100 . 2 . . . . . 23 ASN HB3 . 50428 1
213 . 1 . 1 23 23 ASN C C 13 177.759 0.3 . 1 . . . . . 23 ASN C . 50428 1
214 . 1 . 1 23 23 ASN CA C 13 55.208 0.3 . 1 . . . . . 23 ASN CA . 50428 1
215 . 1 . 1 23 23 ASN CB C 13 36.589 0.3 . 1 . . . . . 23 ASN CB . 50428 1
216 . 1 . 1 23 23 ASN N N 15 116.091 0.3 . 1 . . . . . 23 ASN N . 50428 1
217 . 1 . 1 24 24 ALA H H 1 8.569 0.100 . 1 . . . . . 24 ALA H . 50428 1
218 . 1 . 1 24 24 ALA HA H 1 3.430 0.100 . 1 . . . . . 24 ALA HA . 50428 1
219 . 1 . 1 24 24 ALA HB1 H 1 1.066 0.100 . 1 . . . . . 24 ALA HB . 50428 1
220 . 1 . 1 24 24 ALA HB2 H 1 1.066 0.100 . 1 . . . . . 24 ALA HB . 50428 1
221 . 1 . 1 24 24 ALA HB3 H 1 1.066 0.100 . 1 . . . . . 24 ALA HB . 50428 1
222 . 1 . 1 24 24 ALA C C 13 178.372 0.3 . 1 . . . . . 24 ALA C . 50428 1
223 . 1 . 1 24 24 ALA CA C 13 55.183 0.3 . 1 . . . . . 24 ALA CA . 50428 1
224 . 1 . 1 24 24 ALA CB C 13 18.175 0.3 . 1 . . . . . 24 ALA CB . 50428 1
225 . 1 . 1 24 24 ALA N N 15 122.923 0.3 . 1 . . . . . 24 ALA N . 50428 1
226 . 1 . 1 25 25 GLU HA H 1 3.593 0.100 . 1 . . . . . 25 GLU HA . 50428 1
227 . 1 . 1 25 25 GLU HB2 H 1 1.616 0.100 . 1 . . . . . 25 GLU HB2 . 50428 1
228 . 1 . 1 25 25 GLU HB3 H 1 1.616 0.100 . 1 . . . . . 25 GLU HB3 . 50428 1
229 . 1 . 1 25 25 GLU HG2 H 1 1.855 0.100 . 1 . . . . . 25 GLU HG2 . 50428 1
230 . 1 . 1 25 25 GLU HG3 H 1 1.855 0.100 . 1 . . . . . 25 GLU HG3 . 50428 1
231 . 1 . 1 25 25 GLU C C 13 179.169 0.3 . 1 . . . . . 25 GLU C . 50428 1
232 . 1 . 1 25 25 GLU CA C 13 58.770 0.3 . 1 . . . . . 25 GLU CA . 50428 1
233 . 1 . 1 25 25 GLU CB C 13 28.987 0.3 . 1 . . . . . 25 GLU CB . 50428 1
234 . 1 . 1 25 25 GLU CG C 13 36.129 0.3 . 1 . . . . . 25 GLU CG . 50428 1
235 . 1 . 1 25 25 GLU CD C 13 183.024 0.3 . 1 . . . . . 25 GLU CD . 50428 1
236 . 1 . 1 25 25 GLU N N 15 117.861 0.3 . 1 . . . . . 25 GLU N . 50428 1
237 . 1 . 1 26 26 LEU C C 13 177.563 0.3 . 1 . . . . . 26 LEU C . 50428 1
238 . 1 . 1 26 26 LEU CA C 13 57.311 0.3 . 1 . . . . . 26 LEU CA . 50428 1
239 . 1 . 1 26 26 LEU CB C 13 41.062 0.3 . 1 . . . . . 26 LEU CB . 50428 1
240 . 1 . 1 26 26 LEU CG C 13 26.900 0.3 . 1 . . . . . 26 LEU CG . 50428 1
241 . 1 . 1 26 26 LEU CD1 C 13 21.903 0.3 . 1 . . . . . 26 LEU CD1 . 50428 1
242 . 1 . 1 26 26 LEU CD2 C 13 23.324 0.3 . 1 . . . . . 26 LEU CD2 . 50428 1
243 . 1 . 1 26 26 LEU N N 15 118.140 0.3 . 1 . . . . . 26 LEU N . 50428 1
244 . 1 . 1 27 27 LEU HB2 H 1 1.032 0.100 . 1 . . . . . 27 LEU HB2 . 50428 1
245 . 1 . 1 27 27 LEU HB3 H 1 1.032 0.100 . 1 . . . . . 27 LEU HB3 . 50428 1
246 . 1 . 1 27 27 LEU C C 13 178.264 0.3 . 1 . . . . . 27 LEU C . 50428 1
247 . 1 . 1 27 27 LEU CA C 13 58.126 0.3 . 1 . . . . . 27 LEU CA . 50428 1
248 . 1 . 1 27 27 LEU CB C 13 41.415 0.3 . 1 . . . . . 27 LEU CB . 50428 1
249 . 1 . 1 27 27 LEU CG C 13 26.200 0.3 . 1 . . . . . 27 LEU CG . 50428 1
250 . 1 . 1 27 27 LEU CD1 C 13 23.040 0.3 . 1 . . . . . 27 LEU CD1 . 50428 1
251 . 1 . 1 27 27 LEU CD2 C 13 25.037 0.3 . 1 . . . . . 27 LEU CD2 . 50428 1
252 . 1 . 1 27 27 LEU N N 15 120.828 0.3 . 1 . . . . . 27 LEU N . 50428 1
253 . 1 . 1 28 28 VAL H H 1 8.193 0.100 . 1 . . . . . 28 VAL H . 50428 1
254 . 1 . 1 28 28 VAL C C 13 178.226 0.3 . 1 . . . . . 28 VAL C . 50428 1
255 . 1 . 1 28 28 VAL CA C 13 65.618 0.3 . 1 . . . . . 28 VAL CA . 50428 1
256 . 1 . 1 28 28 VAL CB C 13 31.238 0.3 . 1 . . . . . 28 VAL CB . 50428 1
257 . 1 . 1 28 28 VAL CG1 C 13 21.024 0.3 . 1 . . . . . 28 VAL CG1 . 50428 1
258 . 1 . 1 28 28 VAL CG2 C 13 22.874 0.3 . 1 . . . . . 28 VAL CG2 . 50428 1
259 . 1 . 1 28 28 VAL N N 15 115.615 0.3 . 1 . . . . . 28 VAL N . 50428 1
260 . 1 . 1 29 29 LEU CA C 13 58.020 0.3 . 1 . . . . . 29 LEU CA . 50428 1
261 . 1 . 1 29 29 LEU CB C 13 41.000 0.3 . 1 . . . . . 29 LEU CB . 50428 1
262 . 1 . 1 31 31 GLU CB C 13 29.370 0.3 . 1 . . . . . 31 GLU CB . 50428 1
263 . 1 . 1 31 31 GLU CG C 13 36.370 0.3 . 1 . . . . . 31 GLU CG . 50428 1
264 . 1 . 1 32 32 ASN C C 13 177.673 0.3 . 1 . . . . . 32 ASN C . 50428 1
265 . 1 . 1 32 32 ASN CA C 13 55.801 0.3 . 1 . . . . . 32 ASN CA . 50428 1
266 . 1 . 1 32 32 ASN CB C 13 38.107 0.3 . 1 . . . . . 32 ASN CB . 50428 1
267 . 1 . 1 32 32 ASN CG C 13 175.544 0.3 . 1 . . . . . 32 ASN CG . 50428 1
268 . 1 . 1 32 32 ASN N N 15 120.584 0.3 . 1 . . . . . 32 ASN N . 50428 1
269 . 1 . 1 32 32 ASN ND2 N 15 112.542 0.3 . 1 . . . . . 32 ASN ND2 . 50428 1
270 . 1 . 1 33 33 GLU HA H 1 3.839 0.100 . 1 . . . . . 33 GLU HA . 50428 1
271 . 1 . 1 33 33 GLU C C 13 176.472 0.3 . 1 . . . . . 33 GLU C . 50428 1
272 . 1 . 1 33 33 GLU CA C 13 56.176 0.3 . 1 . . . . . 33 GLU CA . 50428 1
273 . 1 . 1 33 33 GLU CB C 13 29.697 0.3 . 1 . . . . . 33 GLU CB . 50428 1
274 . 1 . 1 33 33 GLU CG C 13 34.869 0.3 . 1 . . . . . 33 GLU CG . 50428 1
275 . 1 . 1 33 33 GLU CD C 13 183.740 0.3 . 1 . . . . . 33 GLU CD . 50428 1
276 . 1 . 1 33 33 GLU N N 15 115.661 0.3 . 1 . . . . . 33 GLU N . 50428 1
277 . 1 . 1 34 34 ARG H H 1 7.926 0.100 . 1 . . . . . 34 ARG H . 50428 1
278 . 1 . 1 34 34 ARG HA H 1 3.728 0.100 . 1 . . . . . 34 ARG HA . 50428 1
279 . 1 . 1 34 34 ARG HB2 H 1 1.125 0.100 . 1 . . . . . 34 ARG HB2 . 50428 1
280 . 1 . 1 34 34 ARG HB3 H 1 1.125 0.100 . 1 . . . . . 34 ARG HB3 . 50428 1
281 . 1 . 1 34 34 ARG C C 13 174.954 0.3 . 1 . . . . . 34 ARG C . 50428 1
282 . 1 . 1 34 34 ARG CA C 13 56.523 0.3 . 1 . . . . . 34 ARG CA . 50428 1
283 . 1 . 1 34 34 ARG CB C 13 27.120 0.3 . 1 . . . . . 34 ARG CB . 50428 1
284 . 1 . 1 34 34 ARG CG C 13 25.527 0.3 . 1 . . . . . 34 ARG CG . 50428 1
285 . 1 . 1 34 34 ARG CD C 13 42.189 0.3 . 1 . . . . . 34 ARG CD . 50428 1
286 . 1 . 1 34 34 ARG CZ C 13 158.966 0.3 . 1 . . . . . 34 ARG CZ . 50428 1
287 . 1 . 1 34 34 ARG N N 15 111.866 0.3 . 1 . . . . . 34 ARG N . 50428 1
288 . 1 . 1 35 35 THR HA H 1 3.210 0.100 . 1 . . . . . 35 THR HA . 50428 1
289 . 1 . 1 35 35 THR HB H 1 3.204 0.100 . 1 . . . . . 35 THR HB . 50428 1
290 . 1 . 1 35 35 THR HG21 H 1 0.674 0.100 . 1 . . . . . 35 THR HG2 . 50428 1
291 . 1 . 1 35 35 THR HG22 H 1 0.674 0.100 . 1 . . . . . 35 THR HG2 . 50428 1
292 . 1 . 1 35 35 THR HG23 H 1 0.674 0.100 . 1 . . . . . 35 THR HG2 . 50428 1
293 . 1 . 1 35 35 THR C C 13 176.098 0.3 . 1 . . . . . 35 THR C . 50428 1
294 . 1 . 1 35 35 THR CA C 13 65.703 0.3 . 1 . . . . . 35 THR CA . 50428 1
295 . 1 . 1 35 35 THR CB C 13 69.033 0.3 . 1 . . . . . 35 THR CB . 50428 1
296 . 1 . 1 35 35 THR CG2 C 13 23.833 0.3 . 1 . . . . . 35 THR CG2 . 50428 1
297 . 1 . 1 35 35 THR N N 15 119.045 0.3 . 1 . . . . . 35 THR N . 50428 1
298 . 1 . 1 36 36 LEU HA H 1 4.091 0.100 . 1 . . . . . 36 LEU HA . 50428 1
299 . 1 . 1 36 36 LEU HB2 H 1 0.920 0.100 . 1 . . . . . 36 LEU HB2 . 50428 1
300 . 1 . 1 36 36 LEU HB3 H 1 0.920 0.100 . 1 . . . . . 36 LEU HB3 . 50428 1
301 . 1 . 1 36 36 LEU C C 13 174.806 0.3 . 1 . . . . . 36 LEU C . 50428 1
302 . 1 . 1 36 36 LEU CA C 13 51.125 0.3 . 1 . . . . . 36 LEU CA . 50428 1
303 . 1 . 1 36 36 LEU CB C 13 43.906 0.3 . 1 . . . . . 36 LEU CB . 50428 1
304 . 1 . 1 36 36 LEU CG C 13 26.943 0.3 . 1 . . . . . 36 LEU CG . 50428 1
305 . 1 . 1 36 36 LEU CD1 C 13 22.431 0.3 . 1 . . . . . 36 LEU CD1 . 50428 1
306 . 1 . 1 36 36 LEU CD2 C 13 25.654 0.3 . 1 . . . . . 36 LEU CD2 . 50428 1
307 . 1 . 1 36 36 LEU N N 15 112.868 0.3 . 1 . . . . . 36 LEU N . 50428 1
308 . 1 . 1 37 37 ASP HA H 1 4.133 0.100 . 1 . . . . . 37 ASP HA . 50428 1
309 . 1 . 1 37 37 ASP HB2 H 1 1.748 0.100 . 2 . . . . . 37 ASP HB2 . 50428 1
310 . 1 . 1 37 37 ASP HB3 H 1 2.624 0.100 . 2 . . . . . 37 ASP HB3 . 50428 1
311 . 1 . 1 37 37 ASP C C 13 175.896 0.3 . 1 . . . . . 37 ASP C . 50428 1
312 . 1 . 1 37 37 ASP CA C 13 52.194 0.3 . 1 . . . . . 37 ASP CA . 50428 1
313 . 1 . 1 37 37 ASP CB C 13 41.312 0.3 . 1 . . . . . 37 ASP CB . 50428 1
314 . 1 . 1 37 37 ASP CG C 13 179.282 0.3 . 1 . . . . . 37 ASP CG . 50428 1
315 . 1 . 1 37 37 ASP N N 15 121.422 0.3 . 1 . . . . . 37 ASP N . 50428 1
316 . 1 . 1 38 38 TYR HA H 1 3.712 0.100 . 1 . . . . . 38 TYR HA . 50428 1
317 . 1 . 1 38 38 TYR CA C 13 59.471 0.3 . 1 . . . . . 38 TYR CA . 50428 1
318 . 1 . 1 38 38 TYR CB C 13 37.801 0.3 . 1 . . . . . 38 TYR CB . 50428 1
319 . 1 . 1 38 38 TYR CG C 13 129.879 0.3 . 1 . . . . . 38 TYR CG . 50428 1
320 . 1 . 1 38 38 TYR CD1 C 13 132.439 0.3 . 1 . . . . . 38 TYR CD1 . 50428 1
321 . 1 . 1 38 38 TYR CE1 C 13 117.824 0.3 . 1 . . . . . 38 TYR CE1 . 50428 1
322 . 1 . 1 38 38 TYR N N 15 126.030 0.3 . 1 . . . . . 38 TYR N . 50428 1
323 . 1 . 1 39 39 HIS CA C 13 56.304 0.3 . 1 . . . . . 39 HIS CA . 50428 1
324 . 1 . 1 39 39 HIS CB C 13 28.537 0.3 . 1 . . . . . 39 HIS CB . 50428 1
325 . 1 . 1 39 39 HIS CG C 13 133.425 0.3 . 1 . . . . . 39 HIS CG . 50428 1
326 . 1 . 1 39 39 HIS CD2 C 13 119.596 0.3 . 1 . . . . . 39 HIS CD2 . 50428 1
327 . 1 . 1 39 39 HIS CE1 C 13 136.954 0.3 . 1 . . . . . 39 HIS CE1 . 50428 1
328 . 1 . 1 40 40 ASP HA H 1 4.101 0.100 . 1 . . . . . 40 ASP HA . 50428 1
329 . 1 . 1 40 40 ASP HB2 H 1 2.200 0.100 . 1 . . . . . 40 ASP HB2 . 50428 1
330 . 1 . 1 40 40 ASP HB3 H 1 2.200 0.100 . 1 . . . . . 40 ASP HB3 . 50428 1
331 . 1 . 1 40 40 ASP C C 13 177.586 0.3 . 1 . . . . . 40 ASP C . 50428 1
332 . 1 . 1 40 40 ASP CA C 13 53.316 0.3 . 1 . . . . . 40 ASP CA . 50428 1
333 . 1 . 1 40 40 ASP CB C 13 42.053 0.3 . 1 . . . . . 40 ASP CB . 50428 1
334 . 1 . 1 40 40 ASP CG C 13 179.375 0.3 . 1 . . . . . 40 ASP CG . 50428 1
335 . 1 . 1 40 40 ASP N N 15 120.724 0.3 . 1 . . . . . 40 ASP N . 50428 1
336 . 1 . 1 41 41 SER HA H 1 3.457 0.100 . 1 . . . . . 41 SER HA . 50428 1
337 . 1 . 1 41 41 SER C C 13 176.011 0.3 . 1 . . . . . 41 SER C . 50428 1
338 . 1 . 1 41 41 SER CA C 13 61.872 0.3 . 1 . . . . . 41 SER CA . 50428 1
339 . 1 . 1 41 41 SER CB C 13 62.212 0.3 . 1 . . . . . 41 SER CB . 50428 1
340 . 1 . 1 41 41 SER N N 15 123.737 0.3 . 1 . . . . . 41 SER N . 50428 1
341 . 1 . 1 42 42 ASN H H 1 9.144 0.100 . 1 . . . . . 42 ASN H . 50428 1
342 . 1 . 1 42 42 ASN HA H 1 3.986 0.100 . 1 . . . . . 42 ASN HA . 50428 1
343 . 1 . 1 42 42 ASN HB2 H 1 2.399 0.100 . 1 . . . . . 42 ASN HB2 . 50428 1
344 . 1 . 1 42 42 ASN HB3 H 1 2.399 0.100 . 1 . . . . . 42 ASN HB3 . 50428 1
345 . 1 . 1 42 42 ASN C C 13 177.640 0.3 . 1 . . . . . 42 ASN C . 50428 1
346 . 1 . 1 42 42 ASN CA C 13 55.809 0.3 . 1 . . . . . 42 ASN CA . 50428 1
347 . 1 . 1 42 42 ASN CB C 13 38.136 0.3 . 1 . . . . . 42 ASN CB . 50428 1
348 . 1 . 1 42 42 ASN CG C 13 175.924 0.3 . 1 . . . . . 42 ASN CG . 50428 1
349 . 1 . 1 42 42 ASN N N 15 118.489 0.3 . 1 . . . . . 42 ASN N . 50428 1
350 . 1 . 1 43 43 VAL H H 1 7.725 0.100 . 1 . . . . . 43 VAL H . 50428 1
351 . 1 . 1 43 43 VAL HA H 1 3.137 0.100 . 1 . . . . . 43 VAL HA . 50428 1
352 . 1 . 1 43 43 VAL HB H 1 2.040 0.100 . 1 . . . . . 43 VAL HB . 50428 1
353 . 1 . 1 43 43 VAL HG11 H 1 0.415 0.100 . 1 . . . . . 43 VAL HG1 . 50428 1
354 . 1 . 1 43 43 VAL HG12 H 1 0.415 0.100 . 1 . . . . . 43 VAL HG1 . 50428 1
355 . 1 . 1 43 43 VAL HG13 H 1 0.415 0.100 . 1 . . . . . 43 VAL HG1 . 50428 1
356 . 1 . 1 43 43 VAL HG21 H 1 0.647 0.100 . 1 . . . . . 43 VAL HG2 . 50428 1
357 . 1 . 1 43 43 VAL HG22 H 1 0.647 0.100 . 1 . . . . . 43 VAL HG2 . 50428 1
358 . 1 . 1 43 43 VAL HG23 H 1 0.647 0.100 . 1 . . . . . 43 VAL HG2 . 50428 1
359 . 1 . 1 43 43 VAL C C 13 177.966 0.3 . 1 . . . . . 43 VAL C . 50428 1
360 . 1 . 1 43 43 VAL CA C 13 65.679 0.3 . 1 . . . . . 43 VAL CA . 50428 1
361 . 1 . 1 43 43 VAL CB C 13 31.098 0.3 . 1 . . . . . 43 VAL CB . 50428 1
362 . 1 . 1 43 43 VAL CG1 C 13 21.536 0.3 . 1 . . . . . 43 VAL CG1 . 50428 1
363 . 1 . 1 43 43 VAL CG2 C 13 24.850 0.3 . 1 . . . . . 43 VAL CG2 . 50428 1
364 . 1 . 1 43 43 VAL N N 15 122.923 0.3 . 1 . . . . . 43 VAL N . 50428 1
365 . 1 . 1 44 44 LYS HA H 1 3.432 0.100 . 1 . . . . . 44 LYS HA . 50428 1
366 . 1 . 1 44 44 LYS C C 13 179.007 0.3 . 1 . . . . . 44 LYS C . 50428 1
367 . 1 . 1 44 44 LYS CA C 13 59.490 0.3 . 1 . . . . . 44 LYS CA . 50428 1
368 . 1 . 1 44 44 LYS CB C 13 31.214 0.3 . 1 . . . . . 44 LYS CB . 50428 1
369 . 1 . 1 44 44 LYS CG C 13 24.462 0.3 . 1 . . . . . 44 LYS CG . 50428 1
370 . 1 . 1 44 44 LYS CD C 13 29.258 0.3 . 1 . . . . . 44 LYS CD . 50428 1
371 . 1 . 1 44 44 LYS CE C 13 41.365 0.3 . 1 . . . . . 44 LYS CE . 50428 1
372 . 1 . 1 44 44 LYS N N 15 120.326 0.3 . 1 . . . . . 44 LYS N . 50428 1
373 . 1 . 1 45 45 ASN HA H 1 3.959 0.100 . 1 . . . . . 45 ASN HA . 50428 1
374 . 1 . 1 45 45 ASN C C 13 175.432 0.3 . 1 . . . . . 45 ASN C . 50428 1
375 . 1 . 1 45 45 ASN CA C 13 55.806 0.3 . 1 . . . . . 45 ASN CA . 50428 1
376 . 1 . 1 45 45 ASN CB C 13 37.955 0.3 . 1 . . . . . 45 ASN CB . 50428 1
377 . 1 . 1 45 45 ASN N N 15 115.067 0.3 . 1 . . . . . 45 ASN N . 50428 1
378 . 1 . 1 47 47 TYR C C 13 178.505 0.3 . 1 . . . . . 47 TYR C . 50428 1
379 . 1 . 1 47 47 TYR CA C 13 61.896 0.3 . 1 . . . . . 47 TYR CA . 50428 1
380 . 1 . 1 47 47 TYR CB C 13 38.469 0.3 . 1 . . . . . 47 TYR CB . 50428 1
381 . 1 . 1 47 47 TYR CG C 13 127.287 0.3 . 1 . . . . . 47 TYR CG . 50428 1
382 . 1 . 1 47 47 TYR CD1 C 13 132.387 0.3 . 1 . . . . . 47 TYR CD1 . 50428 1
383 . 1 . 1 47 47 TYR CE1 C 13 117.700 0.3 . 1 . . . . . 47 TYR CE1 . 50428 1
384 . 1 . 1 47 47 TYR N N 15 117.407 0.3 . 1 . . . . . 47 TYR N . 50428 1
385 . 1 . 1 48 48 GLU C C 13 179.219 0.3 . 1 . . . . . 48 GLU C . 50428 1
386 . 1 . 1 48 48 GLU CA C 13 58.794 0.3 . 1 . . . . . 48 GLU CA . 50428 1
387 . 1 . 1 48 48 GLU CB C 13 28.807 0.3 . 1 . . . . . 48 GLU CB . 50428 1
388 . 1 . 1 48 48 GLU CG C 13 36.442 0.3 . 1 . . . . . 48 GLU CG . 50428 1
389 . 1 . 1 48 48 GLU CD C 13 182.976 0.3 . 1 . . . . . 48 GLU CD . 50428 1
390 . 1 . 1 48 48 GLU N N 15 117.432 0.3 . 1 . . . . . 48 GLU N . 50428 1
391 . 1 . 1 49 49 LYS HA H 1 3.459 0.100 . 1 . . . . . 49 LYS HA . 50428 1
392 . 1 . 1 49 49 LYS C C 13 178.233 0.3 . 1 . . . . . 49 LYS C . 50428 1
393 . 1 . 1 49 49 LYS CA C 13 59.126 0.3 . 1 . . . . . 49 LYS CA . 50428 1
394 . 1 . 1 49 49 LYS CB C 13 31.270 0.3 . 1 . . . . . 49 LYS CB . 50428 1
395 . 1 . 1 49 49 LYS CG C 13 24.918 0.3 . 1 . . . . . 49 LYS CG . 50428 1
396 . 1 . 1 49 49 LYS CD C 13 29.583 0.3 . 1 . . . . . 49 LYS CD . 50428 1
397 . 1 . 1 49 49 LYS CE C 13 41.561 0.3 . 1 . . . . . 49 LYS CE . 50428 1
398 . 1 . 1 49 49 LYS N N 15 120.130 0.3 . 1 . . . . . 49 LYS N . 50428 1
399 . 1 . 1 50 50 VAL H H 1 8.306 0.100 . 1 . . . . . 50 VAL H . 50428 1
400 . 1 . 1 50 50 VAL HA H 1 2.854 0.100 . 1 . . . . . 50 VAL HA . 50428 1
401 . 1 . 1 50 50 VAL HB H 1 1.656 0.100 . 1 . . . . . 50 VAL HB . 50428 1
402 . 1 . 1 50 50 VAL HG11 H 1 0.493 0.100 . 1 . . . . . 50 VAL HG1 . 50428 1
403 . 1 . 1 50 50 VAL HG12 H 1 0.493 0.100 . 1 . . . . . 50 VAL HG1 . 50428 1
404 . 1 . 1 50 50 VAL HG13 H 1 0.493 0.100 . 1 . . . . . 50 VAL HG1 . 50428 1
405 . 1 . 1 50 50 VAL HG21 H 1 0.581 0.100 . 1 . . . . . 50 VAL HG2 . 50428 1
406 . 1 . 1 50 50 VAL HG22 H 1 0.581 0.100 . 1 . . . . . 50 VAL HG2 . 50428 1
407 . 1 . 1 50 50 VAL HG23 H 1 0.581 0.100 . 1 . . . . . 50 VAL HG2 . 50428 1
408 . 1 . 1 50 50 VAL C C 13 177.189 0.3 . 1 . . . . . 50 VAL C . 50428 1
409 . 1 . 1 50 50 VAL CA C 13 65.598 0.3 . 1 . . . . . 50 VAL CA . 50428 1
410 . 1 . 1 50 50 VAL CB C 13 31.151 0.3 . 1 . . . . . 50 VAL CB . 50428 1
411 . 1 . 1 50 50 VAL CG1 C 13 22.212 0.3 . 1 . . . . . 50 VAL CG1 . 50428 1
412 . 1 . 1 50 50 VAL CG2 C 13 22.845 0.3 . 1 . . . . . 50 VAL CG2 . 50428 1
413 . 1 . 1 50 50 VAL N N 15 117.197 0.3 . 1 . . . . . 50 VAL N . 50428 1
414 . 1 . 1 51 51 ARG C C 13 179.044 0.3 . 1 . . . . . 51 ARG C . 50428 1
415 . 1 . 1 51 51 ARG CA C 13 59.099 0.3 . 1 . . . . . 51 ARG CA . 50428 1
416 . 1 . 1 51 51 ARG CB C 13 29.989 0.3 . 1 . . . . . 51 ARG CB . 50428 1
417 . 1 . 1 51 51 ARG CG C 13 27.112 0.3 . 1 . . . . . 51 ARG CG . 50428 1
418 . 1 . 1 51 51 ARG CD C 13 43.197 0.3 . 1 . . . . . 51 ARG CD . 50428 1
419 . 1 . 1 51 51 ARG N N 15 118.072 0.3 . 1 . . . . . 51 ARG N . 50428 1
420 . 1 . 1 52 52 SER HA H 1 3.488 0.100 . 1 . . . . . 52 SER HA . 50428 1
421 . 1 . 1 52 52 SER C C 13 176.342 0.3 . 1 . . . . . 52 SER C . 50428 1
422 . 1 . 1 52 52 SER CA C 13 60.992 0.3 . 1 . . . . . 52 SER CA . 50428 1
423 . 1 . 1 52 52 SER CB C 13 62.512 0.3 . 1 . . . . . 52 SER CB . 50428 1
424 . 1 . 1 52 52 SER N N 15 113.008 0.3 . 1 . . . . . 52 SER N . 50428 1
425 . 1 . 1 53 53 GLN C C 13 178.549 0.3 . 1 . . . . . 53 GLN C . 50428 1
426 . 1 . 1 53 53 GLN CA C 13 56.786 0.3 . 1 . . . . . 53 GLN CA . 50428 1
427 . 1 . 1 53 53 GLN CB C 13 25.978 0.3 . 1 . . . . . 53 GLN CB . 50428 1
428 . 1 . 1 53 53 GLN CG C 13 30.187 0.3 . 1 . . . . . 53 GLN CG . 50428 1
429 . 1 . 1 53 53 GLN CD C 13 178.704 0.3 . 1 . . . . . 53 GLN CD . 50428 1
430 . 1 . 1 53 53 GLN N N 15 119.111 0.3 . 1 . . . . . 53 GLN N . 50428 1
431 . 1 . 1 53 53 GLN NE2 N 15 109.400 0.3 . 1 . . . . . 53 GLN NE2 . 50428 1
432 . 1 . 1 54 54 LEU CD2 C 13 23.090 0.3 . 1 . . . . . 54 LEU CD2 . 50428 1
433 . 1 . 1 56 56 ASN CA C 13 53.815 0.3 . 1 . . . . . 56 ASN CA . 50428 1
434 . 1 . 1 56 56 ASN CB C 13 38.526 0.3 . 1 . . . . . 56 ASN CB . 50428 1
435 . 1 . 1 57 57 ASN CA C 13 52.996 0.3 . 1 . . . . . 57 ASN CA . 50428 1
436 . 1 . 1 57 57 ASN CB C 13 39.376 0.3 . 1 . . . . . 57 ASN CB . 50428 1
437 . 1 . 1 58 58 ALA HA H 1 3.574 0.100 . 1 . . . . . 58 ALA HA . 50428 1
438 . 1 . 1 58 58 ALA HB1 H 1 0.912 0.100 . 1 . . . . . 58 ALA HB . 50428 1
439 . 1 . 1 58 58 ALA HB2 H 1 0.912 0.100 . 1 . . . . . 58 ALA HB . 50428 1
440 . 1 . 1 58 58 ALA HB3 H 1 0.912 0.100 . 1 . . . . . 58 ALA HB . 50428 1
441 . 1 . 1 58 58 ALA C C 13 182.118 0.3 . 1 . . . . . 58 ALA C . 50428 1
442 . 1 . 1 58 58 ALA CA C 13 53.789 0.3 . 1 . . . . . 58 ALA CA . 50428 1
443 . 1 . 1 58 58 ALA CB C 13 19.528 0.3 . 1 . . . . . 58 ALA CB . 50428 1
444 . 1 . 1 58 58 ALA N N 15 127.881 0.3 . 1 . . . . . 58 ALA N . 50428 1
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