###################################
# 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 36345
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36345 1
2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36345 1
3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36345 1
4 '3D HNCACB' 1 $sample_1 isotropic 36345 1
5 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36345 1
6 '3D HNCO' 1 $sample_1 isotropic 36345 1
7 '3D HCCH-COSY' 1 $sample_1 isotropic 36345 1
8 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36345 1
9 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36345 1
10 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36345 1
11 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36345 1
12 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 36345 1
13 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36345 1
14 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36345 1
15 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36345 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 3.873 0.030 . 2 . . . . A 1 GLY HA2 . 36345 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.734 0.030 . 2 . . . . A 1 GLY HA3 . 36345 1
3 . 1 . 1 1 1 GLY CA C 13 43.422 0.300 . 1 . . . . A 1 GLY CA . 36345 1
4 . 1 . 1 2 2 THR HA H 1 4.497 0.030 . 1 . . . . A 2 THR HA . 36345 1
5 . 1 . 1 2 2 THR HB H 1 4.463 0.030 . 1 . . . . A 2 THR HB . 36345 1
6 . 1 . 1 2 2 THR HG21 H 1 1.232 0.030 . 1 . . . . A 2 THR HG21 . 36345 1
7 . 1 . 1 2 2 THR HG22 H 1 1.232 0.030 . 1 . . . . A 2 THR HG22 . 36345 1
8 . 1 . 1 2 2 THR HG23 H 1 1.232 0.030 . 1 . . . . A 2 THR HG23 . 36345 1
9 . 1 . 1 2 2 THR C C 13 179.631 0.300 . 1 . . . . A 2 THR C . 36345 1
10 . 1 . 1 2 2 THR CA C 13 62.054 0.300 . 1 . . . . A 2 THR CA . 36345 1
11 . 1 . 1 2 2 THR CB C 13 70.164 0.300 . 1 . . . . A 2 THR CB . 36345 1
12 . 1 . 1 2 2 THR CG2 C 13 21.294 0.300 . 1 . . . . A 2 THR CG2 . 36345 1
13 . 1 . 1 3 3 THR H H 1 8.298 0.030 . 1 . . . . A 3 THR H . 36345 1
14 . 1 . 1 3 3 THR HA H 1 4.608 0.030 . 1 . . . . A 3 THR HA . 36345 1
15 . 1 . 1 3 3 THR HB H 1 4.061 0.030 . 1 . . . . A 3 THR HB . 36345 1
16 . 1 . 1 3 3 THR HG21 H 1 1.142 0.030 . 1 . . . . A 3 THR HG21 . 36345 1
17 . 1 . 1 3 3 THR HG22 H 1 1.142 0.030 . 1 . . . . A 3 THR HG22 . 36345 1
18 . 1 . 1 3 3 THR HG23 H 1 1.142 0.030 . 1 . . . . A 3 THR HG23 . 36345 1
19 . 1 . 1 3 3 THR C C 13 178.849 0.300 . 1 . . . . A 3 THR C . 36345 1
20 . 1 . 1 3 3 THR CA C 13 62.830 0.300 . 1 . . . . A 3 THR CA . 36345 1
21 . 1 . 1 3 3 THR CB C 13 70.334 0.300 . 1 . . . . A 3 THR CB . 36345 1
22 . 1 . 1 3 3 THR CG2 C 13 22.235 0.300 . 1 . . . . A 3 THR CG2 . 36345 1
23 . 1 . 1 3 3 THR N N 15 119.179 0.300 . 1 . . . . A 3 THR N . 36345 1
24 . 1 . 1 4 4 CYS H H 1 7.907 0.030 . 1 . . . . A 4 CYS H . 36345 1
25 . 1 . 1 4 4 CYS HA H 1 4.409 0.030 . 1 . . . . A 4 CYS HA . 36345 1
26 . 1 . 1 4 4 CYS HB2 H 1 2.323 0.030 . 2 . . . . A 4 CYS HB2 . 36345 1
27 . 1 . 1 4 4 CYS HB3 H 1 1.532 0.030 . 2 . . . . A 4 CYS HB3 . 36345 1
28 . 1 . 1 4 4 CYS C C 13 175.600 0.300 . 1 . . . . A 4 CYS C . 36345 1
29 . 1 . 1 4 4 CYS CA C 13 53.712 0.300 . 1 . . . . A 4 CYS CA . 36345 1
30 . 1 . 1 4 4 CYS CB C 13 45.178 0.300 . 1 . . . . A 4 CYS CB . 36345 1
31 . 1 . 1 4 4 CYS N N 15 120.549 0.300 . 1 . . . . A 4 CYS N . 36345 1
32 . 1 . 1 5 5 TYR H H 1 6.918 0.030 . 1 . . . . A 5 TYR H . 36345 1
33 . 1 . 1 5 5 TYR HA H 1 5.066 0.030 . 1 . . . . A 5 TYR HA . 36345 1
34 . 1 . 1 5 5 TYR HB2 H 1 2.946 0.030 . 1 . . . . A 5 TYR HB2 . 36345 1
35 . 1 . 1 5 5 TYR HB3 H 1 2.619 0.030 . 1 . . . . A 5 TYR HB3 . 36345 1
36 . 1 . 1 5 5 TYR HD1 H 1 6.822 0.030 . 1 . . . . A 5 TYR HD1 . 36345 1
37 . 1 . 1 5 5 TYR HD2 H 1 6.822 0.030 . 1 . . . . A 5 TYR HD2 . 36345 1
38 . 1 . 1 5 5 TYR HE1 H 1 6.656 0.030 . 1 . . . . A 5 TYR HE1 . 36345 1
39 . 1 . 1 5 5 TYR HE2 H 1 6.656 0.030 . 1 . . . . A 5 TYR HE2 . 36345 1
40 . 1 . 1 5 5 TYR C C 13 181.668 0.300 . 1 . . . . A 5 TYR C . 36345 1
41 . 1 . 1 5 5 TYR CA C 13 57.096 0.300 . 1 . . . . A 5 TYR CA . 36345 1
42 . 1 . 1 5 5 TYR CB C 13 42.331 0.300 . 1 . . . . A 5 TYR CB . 36345 1
43 . 1 . 1 5 5 TYR CD1 C 13 132.876 0.300 . 1 . . . . A 5 TYR CD1 . 36345 1
44 . 1 . 1 5 5 TYR CD2 C 13 132.876 0.300 . 1 . . . . A 5 TYR CD2 . 36345 1
45 . 1 . 1 5 5 TYR CE1 C 13 117.774 0.300 . 1 . . . . A 5 TYR CE1 . 36345 1
46 . 1 . 1 5 5 TYR CE2 C 13 117.774 0.300 . 1 . . . . A 5 TYR CE2 . 36345 1
47 . 1 . 1 5 5 TYR N N 15 116.063 0.300 . 1 . . . . A 5 TYR N . 36345 1
48 . 1 . 1 6 6 CYS H H 1 8.690 0.030 . 1 . . . . A 6 CYS H . 36345 1
49 . 1 . 1 6 6 CYS HA H 1 4.996 0.030 . 1 . . . . A 6 CYS HA . 36345 1
50 . 1 . 1 6 6 CYS HB2 H 1 3.279 0.030 . 2 . . . . A 6 CYS HB2 . 36345 1
51 . 1 . 1 6 6 CYS HB3 H 1 2.235 0.030 . 2 . . . . A 6 CYS HB3 . 36345 1
52 . 1 . 1 6 6 CYS C C 13 181.789 0.300 . 1 . . . . A 6 CYS C . 36345 1
53 . 1 . 1 6 6 CYS CA C 13 52.141 0.300 . 1 . . . . A 6 CYS CA . 36345 1
54 . 1 . 1 6 6 CYS CB C 13 39.229 0.300 . 1 . . . . A 6 CYS CB . 36345 1
55 . 1 . 1 6 6 CYS N N 15 120.369 0.300 . 1 . . . . A 6 CYS N . 36345 1
56 . 1 . 1 7 7 GLY H H 1 8.931 0.030 . 1 . . . . A 7 GLY H . 36345 1
57 . 1 . 1 7 7 GLY HA2 H 1 4.042 0.030 . 2 . . . . A 7 GLY HA2 . 36345 1
58 . 1 . 1 7 7 GLY HA3 H 1 3.620 0.030 . 2 . . . . A 7 GLY HA3 . 36345 1
59 . 1 . 1 7 7 GLY C C 13 180.736 0.300 . 1 . . . . A 7 GLY C . 36345 1
60 . 1 . 1 7 7 GLY CA C 13 47.158 0.300 . 1 . . . . A 7 GLY CA . 36345 1
61 . 1 . 1 7 7 GLY N N 15 115.388 0.300 . 1 . . . . A 7 GLY N . 36345 1
62 . 1 . 1 8 8 LYS H H 1 8.800 0.030 . 1 . . . . A 8 LYS H . 36345 1
63 . 1 . 1 8 8 LYS HA H 1 4.335 0.030 . 1 . . . . A 8 LYS HA . 36345 1
64 . 1 . 1 8 8 LYS HB2 H 1 1.975 0.030 . 2 . . . . A 8 LYS HB2 . 36345 1
65 . 1 . 1 8 8 LYS HB3 H 1 1.712 0.030 . 2 . . . . A 8 LYS HB3 . 36345 1
66 . 1 . 1 8 8 LYS HG2 H 1 1.421 0.030 . 1 . . . . A 8 LYS HG2 . 36345 1
67 . 1 . 1 8 8 LYS HG3 H 1 1.421 0.030 . 1 . . . . A 8 LYS HG3 . 36345 1
68 . 1 . 1 8 8 LYS HD2 H 1 1.635 0.030 . 1 . . . . A 8 LYS HD2 . 36345 1
69 . 1 . 1 8 8 LYS HD3 H 1 1.635 0.030 . 1 . . . . A 8 LYS HD3 . 36345 1
70 . 1 . 1 8 8 LYS HE2 H 1 2.952 0.030 . 1 . . . . A 8 LYS HE2 . 36345 1
71 . 1 . 1 8 8 LYS HE3 H 1 2.952 0.030 . 1 . . . . A 8 LYS HE3 . 36345 1
72 . 1 . 1 8 8 LYS C C 13 172.931 0.300 . 1 . . . . A 8 LYS C . 36345 1
73 . 1 . 1 8 8 LYS CA C 13 56.277 0.300 . 1 . . . . A 8 LYS CA . 36345 1
74 . 1 . 1 8 8 LYS CB C 13 32.528 0.300 . 1 . . . . A 8 LYS CB . 36345 1
75 . 1 . 1 8 8 LYS CG C 13 24.783 0.300 . 1 . . . . A 8 LYS CG . 36345 1
76 . 1 . 1 8 8 LYS CD C 13 28.798 0.300 . 1 . . . . A 8 LYS CD . 36345 1
77 . 1 . 1 8 8 LYS CE C 13 42.116 0.300 . 1 . . . . A 8 LYS CE . 36345 1
78 . 1 . 1 8 8 LYS N N 15 126.770 0.300 . 1 . . . . A 8 LYS N . 36345 1
79 . 1 . 1 9 9 THR H H 1 8.009 0.030 . 1 . . . . A 9 THR H . 36345 1
80 . 1 . 1 9 9 THR HA H 1 4.032 0.030 . 1 . . . . A 9 THR HA . 36345 1
81 . 1 . 1 9 9 THR HB H 1 3.616 0.030 . 1 . . . . A 9 THR HB . 36345 1
82 . 1 . 1 9 9 THR HG21 H 1 0.499 0.030 . 1 . . . . A 9 THR HG21 . 36345 1
83 . 1 . 1 9 9 THR HG22 H 1 0.499 0.030 . 1 . . . . A 9 THR HG22 . 36345 1
84 . 1 . 1 9 9 THR HG23 H 1 0.499 0.030 . 1 . . . . A 9 THR HG23 . 36345 1
85 . 1 . 1 9 9 THR C C 13 178.361 0.300 . 1 . . . . A 9 THR C . 36345 1
86 . 1 . 1 9 9 THR CA C 13 63.242 0.300 . 1 . . . . A 9 THR CA . 36345 1
87 . 1 . 1 9 9 THR CB C 13 69.708 0.300 . 1 . . . . A 9 THR CB . 36345 1
88 . 1 . 1 9 9 THR CG2 C 13 21.281 0.300 . 1 . . . . A 9 THR CG2 . 36345 1
89 . 1 . 1 9 9 THR N N 15 119.896 0.300 . 1 . . . . A 9 THR N . 36345 1
90 . 1 . 1 10 10 ILE H H 1 8.224 0.030 . 1 . . . . A 10 ILE H . 36345 1
91 . 1 . 1 10 10 ILE HA H 1 3.824 0.030 . 1 . . . . A 10 ILE HA . 36345 1
92 . 1 . 1 10 10 ILE HB H 1 1.563 0.030 . 1 . . . . A 10 ILE HB . 36345 1
93 . 1 . 1 10 10 ILE HG12 H 1 1.237 0.030 . 2 . . . . A 10 ILE HG12 . 36345 1
94 . 1 . 1 10 10 ILE HG13 H 1 1.054 0.030 . 2 . . . . A 10 ILE HG13 . 36345 1
95 . 1 . 1 10 10 ILE HG21 H 1 0.899 0.030 . 1 . . . . A 10 ILE HG21 . 36345 1
96 . 1 . 1 10 10 ILE HG22 H 1 0.899 0.030 . 1 . . . . A 10 ILE HG22 . 36345 1
97 . 1 . 1 10 10 ILE HG23 H 1 0.899 0.030 . 1 . . . . A 10 ILE HG23 . 36345 1
98 . 1 . 1 10 10 ILE HD11 H 1 0.862 0.030 . 1 . . . . A 10 ILE HD11 . 36345 1
99 . 1 . 1 10 10 ILE HD12 H 1 0.862 0.030 . 1 . . . . A 10 ILE HD12 . 36345 1
100 . 1 . 1 10 10 ILE HD13 H 1 0.862 0.030 . 1 . . . . A 10 ILE HD13 . 36345 1
101 . 1 . 1 10 10 ILE C C 13 179.357 0.300 . 1 . . . . A 10 ILE C . 36345 1
102 . 1 . 1 10 10 ILE CA C 13 61.560 0.300 . 1 . . . . A 10 ILE CA . 36345 1
103 . 1 . 1 10 10 ILE CB C 13 38.769 0.300 . 1 . . . . A 10 ILE CB . 36345 1
104 . 1 . 1 10 10 ILE CG1 C 13 29.101 0.300 . 1 . . . . A 10 ILE CG1 . 36345 1
105 . 1 . 1 10 10 ILE CG2 C 13 16.768 0.300 . 1 . . . . A 10 ILE CG2 . 36345 1
106 . 1 . 1 10 10 ILE CD1 C 13 13.695 0.300 . 1 . . . . A 10 ILE CD1 . 36345 1
107 . 1 . 1 10 10 ILE N N 15 129.268 0.300 . 1 . . . . A 10 ILE N . 36345 1
108 . 1 . 1 11 11 GLY H H 1 8.240 0.030 . 1 . . . . A 11 GLY H . 36345 1
109 . 1 . 1 11 11 GLY HA2 H 1 4.580 0.030 . 2 . . . . A 11 GLY HA2 . 36345 1
110 . 1 . 1 11 11 GLY HA3 H 1 3.440 0.030 . 2 . . . . A 11 GLY HA3 . 36345 1
111 . 1 . 1 11 11 GLY C C 13 178.821 0.300 . 1 . . . . A 11 GLY C . 36345 1
112 . 1 . 1 11 11 GLY CA C 13 44.735 0.300 . 1 . . . . A 11 GLY CA . 36345 1
113 . 1 . 1 11 11 GLY N N 15 113.602 0.300 . 1 . . . . A 11 GLY N . 36345 1
114 . 1 . 1 12 12 ILE H H 1 9.110 0.030 . 1 . . . . A 12 ILE H . 36345 1
115 . 1 . 1 12 12 ILE HA H 1 4.715 0.030 . 1 . . . . A 12 ILE HA . 36345 1
116 . 1 . 1 12 12 ILE HB H 1 1.866 0.030 . 1 . . . . A 12 ILE HB . 36345 1
117 . 1 . 1 12 12 ILE HG12 H 1 1.702 0.030 . 2 . . . . A 12 ILE HG12 . 36345 1
118 . 1 . 1 12 12 ILE HG13 H 1 1.303 0.030 . 2 . . . . A 12 ILE HG13 . 36345 1
119 . 1 . 1 12 12 ILE HG21 H 1 0.827 0.030 . 1 . . . . A 12 ILE HG21 . 36345 1
120 . 1 . 1 12 12 ILE HG22 H 1 0.827 0.030 . 1 . . . . A 12 ILE HG22 . 36345 1
121 . 1 . 1 12 12 ILE HG23 H 1 0.827 0.030 . 1 . . . . A 12 ILE HG23 . 36345 1
122 . 1 . 1 12 12 ILE HD11 H 1 0.814 0.030 . 1 . . . . A 12 ILE HD11 . 36345 1
123 . 1 . 1 12 12 ILE HD12 H 1 0.814 0.030 . 1 . . . . A 12 ILE HD12 . 36345 1
124 . 1 . 1 12 12 ILE HD13 H 1 0.814 0.030 . 1 . . . . A 12 ILE HD13 . 36345 1
125 . 1 . 1 12 12 ILE C C 13 180.968 0.300 . 1 . . . . A 12 ILE C . 36345 1
126 . 1 . 1 12 12 ILE CA C 13 57.578 0.300 . 1 . . . . A 12 ILE CA . 36345 1
127 . 1 . 1 12 12 ILE CB C 13 40.335 0.300 . 1 . . . . A 12 ILE CB . 36345 1
128 . 1 . 1 12 12 ILE CG1 C 13 27.627 0.300 . 1 . . . . A 12 ILE CG1 . 36345 1
129 . 1 . 1 12 12 ILE CG2 C 13 17.060 0.300 . 1 . . . . A 12 ILE CG2 . 36345 1
130 . 1 . 1 12 12 ILE CD1 C 13 11.652 0.300 . 1 . . . . A 12 ILE CD1 . 36345 1
131 . 1 . 1 12 12 ILE N N 15 119.303 0.300 . 1 . . . . A 12 ILE N . 36345 1
132 . 1 . 1 13 13 TYR H H 1 8.275 0.030 . 1 . . . . A 13 TYR H . 36345 1
133 . 1 . 1 13 13 TYR HA H 1 5.095 0.030 . 1 . . . . A 13 TYR HA . 36345 1
134 . 1 . 1 13 13 TYR HB2 H 1 2.596 0.030 . 2 . . . . A 13 TYR HB2 . 36345 1
135 . 1 . 1 13 13 TYR HB3 H 1 2.345 0.030 . 2 . . . . A 13 TYR HB3 . 36345 1
136 . 1 . 1 13 13 TYR HD1 H 1 6.982 0.030 . 1 . . . . A 13 TYR HD1 . 36345 1
137 . 1 . 1 13 13 TYR HD2 H 1 6.982 0.030 . 1 . . . . A 13 TYR HD2 . 36345 1
138 . 1 . 1 13 13 TYR HE1 H 1 7.032 0.030 . 1 . . . . A 13 TYR HE1 . 36345 1
139 . 1 . 1 13 13 TYR HE2 H 1 7.032 0.030 . 1 . . . . A 13 TYR HE2 . 36345 1
140 . 1 . 1 13 13 TYR C C 13 180.644 0.300 . 1 . . . . A 13 TYR C . 36345 1
141 . 1 . 1 13 13 TYR CA C 13 56.337 0.300 . 1 . . . . A 13 TYR CA . 36345 1
142 . 1 . 1 13 13 TYR CB C 13 39.873 0.300 . 1 . . . . A 13 TYR CB . 36345 1
143 . 1 . 1 13 13 TYR CD1 C 13 133.353 0.300 . 1 . . . . A 13 TYR CD1 . 36345 1
144 . 1 . 1 13 13 TYR CD2 C 13 133.353 0.300 . 1 . . . . A 13 TYR CD2 . 36345 1
145 . 1 . 1 13 13 TYR CE1 C 13 118.112 0.300 . 1 . . . . A 13 TYR CE1 . 36345 1
146 . 1 . 1 13 13 TYR CE2 C 13 118.112 0.300 . 1 . . . . A 13 TYR CE2 . 36345 1
147 . 1 . 1 13 13 TYR N N 15 128.230 0.300 . 1 . . . . A 13 TYR N . 36345 1
148 . 1 . 1 14 14 TRP H H 1 9.053 0.030 . 1 . . . . A 14 TRP H . 36345 1
149 . 1 . 1 14 14 TRP HA H 1 4.306 0.030 . 1 . . . . A 14 TRP HA . 36345 1
150 . 1 . 1 14 14 TRP HB2 H 1 2.997 0.030 . 2 . . . . A 14 TRP HB2 . 36345 1
151 . 1 . 1 14 14 TRP HB3 H 1 2.758 0.030 . 2 . . . . A 14 TRP HB3 . 36345 1
152 . 1 . 1 14 14 TRP HD1 H 1 6.887 0.030 . 1 . . . . A 14 TRP HD1 . 36345 1
153 . 1 . 1 14 14 TRP HE1 H 1 9.321 0.030 . 1 . . . . A 14 TRP HE1 . 36345 1
154 . 1 . 1 14 14 TRP HE3 H 1 7.795 0.030 . 1 . . . . A 14 TRP HE3 . 36345 1
155 . 1 . 1 14 14 TRP HZ2 H 1 7.651 0.030 . 1 . . . . A 14 TRP HZ2 . 36345 1
156 . 1 . 1 14 14 TRP HZ3 H 1 7.218 0.030 . 1 . . . . A 14 TRP HZ3 . 36345 1
157 . 1 . 1 14 14 TRP HH2 H 1 7.259 0.030 . 1 . . . . A 14 TRP HH2 . 36345 1
158 . 1 . 1 14 14 TRP C C 13 180.016 0.300 . 1 . . . . A 14 TRP C . 36345 1
159 . 1 . 1 14 14 TRP CA C 13 55.935 0.300 . 1 . . . . A 14 TRP CA . 36345 1
160 . 1 . 1 14 14 TRP CB C 13 29.269 0.300 . 1 . . . . A 14 TRP CB . 36345 1
161 . 1 . 1 14 14 TRP CD1 C 13 126.847 0.300 . 1 . . . . A 14 TRP CD1 . 36345 1
162 . 1 . 1 14 14 TRP CE3 C 13 120.994 0.300 . 1 . . . . A 14 TRP CE3 . 36345 1
163 . 1 . 1 14 14 TRP CZ2 C 13 114.329 0.300 . 1 . . . . A 14 TRP CZ2 . 36345 1
164 . 1 . 1 14 14 TRP CZ3 C 13 122.096 0.300 . 1 . . . . A 14 TRP CZ3 . 36345 1
165 . 1 . 1 14 14 TRP CH2 C 13 124.411 0.300 . 1 . . . . A 14 TRP CH2 . 36345 1
166 . 1 . 1 14 14 TRP N N 15 130.881 0.300 . 1 . . . . A 14 TRP N . 36345 1
167 . 1 . 1 14 14 TRP NE1 N 15 125.616 0.300 . 1 . . . . A 14 TRP NE1 . 36345 1
168 . 1 . 1 15 15 PHE H H 1 8.150 0.030 . 1 . . . . A 15 PHE H . 36345 1
169 . 1 . 1 15 15 PHE HA H 1 4.119 0.030 . 1 . . . . A 15 PHE HA . 36345 1
170 . 1 . 1 15 15 PHE HB2 H 1 3.103 0.030 . 2 . . . . A 15 PHE HB2 . 36345 1
171 . 1 . 1 15 15 PHE HB3 H 1 2.749 0.030 . 2 . . . . A 15 PHE HB3 . 36345 1
172 . 1 . 1 15 15 PHE HD1 H 1 7.283 0.030 . 1 . . . . A 15 PHE HD1 . 36345 1
173 . 1 . 1 15 15 PHE HD2 H 1 7.283 0.030 . 1 . . . . A 15 PHE HD2 . 36345 1
174 . 1 . 1 15 15 PHE HE1 H 1 7.403 0.030 . 1 . . . . A 15 PHE HE1 . 36345 1
175 . 1 . 1 15 15 PHE HE2 H 1 7.403 0.030 . 1 . . . . A 15 PHE HE2 . 36345 1
176 . 1 . 1 15 15 PHE HZ H 1 7.390 0.030 . 1 . . . . A 15 PHE HZ . 36345 1
177 . 1 . 1 15 15 PHE C C 13 171.864 0.300 . 1 . . . . A 15 PHE C . 36345 1
178 . 1 . 1 15 15 PHE CA C 13 58.340 0.300 . 1 . . . . A 15 PHE CA . 36345 1
179 . 1 . 1 15 15 PHE CB C 13 40.492 0.300 . 1 . . . . A 15 PHE CB . 36345 1
180 . 1 . 1 15 15 PHE CD1 C 13 132.111 0.300 . 1 . . . . A 15 PHE CD1 . 36345 1
181 . 1 . 1 15 15 PHE CD2 C 13 132.111 0.300 . 1 . . . . A 15 PHE CD2 . 36345 1
182 . 1 . 1 15 15 PHE CE1 C 13 132.069 0.300 . 1 . . . . A 15 PHE CE1 . 36345 1
183 . 1 . 1 15 15 PHE CE2 C 13 132.069 0.300 . 1 . . . . A 15 PHE CE2 . 36345 1
184 . 1 . 1 15 15 PHE CZ C 13 130.726 0.300 . 1 . . . . A 15 PHE CZ . 36345 1
185 . 1 . 1 15 15 PHE N N 15 123.962 0.300 . 1 . . . . A 15 PHE N . 36345 1
186 . 1 . 1 16 16 GLY H H 1 8.177 0.030 . 1 . . . . A 16 GLY H . 36345 1
187 . 1 . 1 16 16 GLY HA2 H 1 3.406 0.030 . 2 . . . . A 16 GLY HA2 . 36345 1
188 . 1 . 1 16 16 GLY HA3 H 1 3.309 0.030 . 2 . . . . A 16 GLY HA3 . 36345 1
189 . 1 . 1 16 16 GLY C C 13 178.778 0.300 . 1 . . . . A 16 GLY C . 36345 1
190 . 1 . 1 16 16 GLY CA C 13 46.432 0.300 . 1 . . . . A 16 GLY CA . 36345 1
191 . 1 . 1 16 16 GLY N N 15 114.215 0.300 . 1 . . . . A 16 GLY N . 36345 1
192 . 1 . 1 17 17 THR H H 1 7.089 0.030 . 1 . . . . A 17 THR H . 36345 1
193 . 1 . 1 17 17 THR HA H 1 4.641 0.030 . 1 . . . . A 17 THR HA . 36345 1
194 . 1 . 1 17 17 THR HB H 1 4.043 0.030 . 1 . . . . A 17 THR HB . 36345 1
195 . 1 . 1 17 17 THR HG21 H 1 1.019 0.030 . 1 . . . . A 17 THR HG21 . 36345 1
196 . 1 . 1 17 17 THR HG22 H 1 1.019 0.030 . 1 . . . . A 17 THR HG22 . 36345 1
197 . 1 . 1 17 17 THR HG23 H 1 1.019 0.030 . 1 . . . . A 17 THR HG23 . 36345 1
198 . 1 . 1 17 17 THR C C 13 177.632 0.300 . 1 . . . . A 17 THR C . 36345 1
199 . 1 . 1 17 17 THR CA C 13 58.811 0.300 . 1 . . . . A 17 THR CA . 36345 1
200 . 1 . 1 17 17 THR CB C 13 70.206 0.300 . 1 . . . . A 17 THR CB . 36345 1
201 . 1 . 1 17 17 THR CG2 C 13 19.515 0.300 . 1 . . . . A 17 THR CG2 . 36345 1
202 . 1 . 1 17 17 THR N N 15 112.339 0.300 . 1 . . . . A 17 THR N . 36345 1
203 . 1 . 1 18 18 LYS H H 1 8.188 0.030 . 1 . . . . A 18 LYS H . 36345 1
204 . 1 . 1 18 18 LYS HA H 1 4.397 0.030 . 1 . . . . A 18 LYS HA . 36345 1
205 . 1 . 1 18 18 LYS HB2 H 1 1.949 0.030 . 2 . . . . A 18 LYS HB2 . 36345 1
206 . 1 . 1 18 18 LYS HB3 H 1 1.645 0.030 . 2 . . . . A 18 LYS HB3 . 36345 1
207 . 1 . 1 18 18 LYS HG2 H 1 1.425 0.030 . 1 . . . . A 18 LYS HG2 . 36345 1
208 . 1 . 1 18 18 LYS HG3 H 1 1.425 0.030 . 1 . . . . A 18 LYS HG3 . 36345 1
209 . 1 . 1 18 18 LYS HD2 H 1 1.630 0.030 . 1 . . . . A 18 LYS HD2 . 36345 1
210 . 1 . 1 18 18 LYS HD3 H 1 1.630 0.030 . 1 . . . . A 18 LYS HD3 . 36345 1
211 . 1 . 1 18 18 LYS HE2 H 1 2.945 0.030 . 1 . . . . A 18 LYS HE2 . 36345 1
212 . 1 . 1 18 18 LYS HE3 H 1 2.945 0.030 . 1 . . . . A 18 LYS HE3 . 36345 1
213 . 1 . 1 18 18 LYS C C 13 181.934 0.300 . 1 . . . . A 18 LYS C . 36345 1
214 . 1 . 1 18 18 LYS CA C 13 55.740 0.300 . 1 . . . . A 18 LYS CA . 36345 1
215 . 1 . 1 18 18 LYS CB C 13 33.019 0.300 . 1 . . . . A 18 LYS CB . 36345 1
216 . 1 . 1 18 18 LYS CG C 13 24.787 0.300 . 1 . . . . A 18 LYS CG . 36345 1
217 . 1 . 1 18 18 LYS CD C 13 28.798 0.300 . 1 . . . . A 18 LYS CD . 36345 1
218 . 1 . 1 18 18 LYS CE C 13 42.088 0.300 . 1 . . . . A 18 LYS CE . 36345 1
219 . 1 . 1 18 18 LYS N N 15 121.904 0.300 . 1 . . . . A 18 LYS N . 36345 1
220 . 1 . 1 19 19 THR H H 1 7.813 0.030 . 1 . . . . A 19 THR H . 36345 1
221 . 1 . 1 19 19 THR HA H 1 4.329 0.030 . 1 . . . . A 19 THR HA . 36345 1
222 . 1 . 1 19 19 THR HB H 1 3.761 0.030 . 1 . . . . A 19 THR HB . 36345 1
223 . 1 . 1 19 19 THR HG21 H 1 1.041 0.030 . 1 . . . . A 19 THR HG21 . 36345 1
224 . 1 . 1 19 19 THR HG22 H 1 1.041 0.030 . 1 . . . . A 19 THR HG22 . 36345 1
225 . 1 . 1 19 19 THR HG23 H 1 1.041 0.030 . 1 . . . . A 19 THR HG23 . 36345 1
226 . 1 . 1 19 19 THR C C 13 179.364 0.300 . 1 . . . . A 19 THR C . 36345 1
227 . 1 . 1 19 19 THR CA C 13 60.103 0.300 . 1 . . . . A 19 THR CA . 36345 1
228 . 1 . 1 19 19 THR CB C 13 71.343 0.300 . 1 . . . . A 19 THR CB . 36345 1
229 . 1 . 1 19 19 THR CG2 C 13 21.516 0.300 . 1 . . . . A 19 THR CG2 . 36345 1
230 . 1 . 1 19 19 THR N N 15 113.269 0.300 . 1 . . . . A 19 THR N . 36345 1
231 . 1 . 1 20 20 CYS H H 1 8.804 0.030 . 1 . . . . A 20 CYS H . 36345 1
232 . 1 . 1 20 20 CYS HA H 1 3.979 0.030 . 1 . . . . A 20 CYS HA . 36345 1
233 . 1 . 1 20 20 CYS HB2 H 1 2.809 0.030 . 2 . . . . A 20 CYS HB2 . 36345 1
234 . 1 . 1 20 20 CYS HB3 H 1 2.693 0.030 . 2 . . . . A 20 CYS HB3 . 36345 1
235 . 1 . 1 20 20 CYS CA C 13 55.361 0.300 . 1 . . . . A 20 CYS CA . 36345 1
236 . 1 . 1 20 20 CYS CB C 13 41.639 0.300 . 1 . . . . A 20 CYS CB . 36345 1
237 . 1 . 1 20 20 CYS N N 15 124.247 0.300 . 1 . . . . A 20 CYS N . 36345 1
238 . 1 . 1 21 21 PRO HA H 1 4.129 0.030 . 1 . . . . A 21 PRO HA . 36345 1
239 . 1 . 1 21 21 PRO HB2 H 1 1.998 0.030 . 2 . . . . A 21 PRO HB2 . 36345 1
240 . 1 . 1 21 21 PRO HB3 H 1 1.382 0.030 . 2 . . . . A 21 PRO HB3 . 36345 1
241 . 1 . 1 21 21 PRO HG2 H 1 0.831 0.030 . 2 . . . . A 21 PRO HG2 . 36345 1
242 . 1 . 1 21 21 PRO HG3 H 1 0.318 0.030 . 2 . . . . A 21 PRO HG3 . 36345 1
243 . 1 . 1 21 21 PRO HD2 H 1 2.771 0.030 . 2 . . . . A 21 PRO HD2 . 36345 1
244 . 1 . 1 21 21 PRO HD3 H 1 2.587 0.030 . 2 . . . . A 21 PRO HD3 . 36345 1
245 . 1 . 1 21 21 PRO C C 13 182.017 0.300 . 1 . . . . A 21 PRO C . 36345 1
246 . 1 . 1 21 21 PRO CA C 13 63.251 0.300 . 1 . . . . A 21 PRO CA . 36345 1
247 . 1 . 1 21 21 PRO CB C 13 32.299 0.300 . 1 . . . . A 21 PRO CB . 36345 1
248 . 1 . 1 21 21 PRO CG C 13 26.307 0.300 . 1 . . . . A 21 PRO CG . 36345 1
249 . 1 . 1 21 21 PRO CD C 13 49.716 0.300 . 1 . . . . A 21 PRO CD . 36345 1
250 . 1 . 1 22 22 SER H H 1 8.317 0.030 . 1 . . . . A 22 SER H . 36345 1
251 . 1 . 1 22 22 SER HA H 1 4.279 0.030 . 1 . . . . A 22 SER HA . 36345 1
252 . 1 . 1 22 22 SER HB2 H 1 3.861 0.030 . 2 . . . . A 22 SER HB2 . 36345 1
253 . 1 . 1 22 22 SER HB3 H 1 3.841 0.030 . 2 . . . . A 22 SER HB3 . 36345 1
254 . 1 . 1 22 22 SER C C 13 179.916 0.300 . 1 . . . . A 22 SER C . 36345 1
255 . 1 . 1 22 22 SER CA C 13 58.894 0.300 . 1 . . . . A 22 SER CA . 36345 1
256 . 1 . 1 22 22 SER CB C 13 64.451 0.300 . 1 . . . . A 22 SER CB . 36345 1
257 . 1 . 1 22 22 SER N N 15 116.615 0.300 . 1 . . . . A 22 SER N . 36345 1
258 . 1 . 1 23 23 ASN H H 1 8.700 0.030 . 1 . . . . A 23 ASN H . 36345 1
259 . 1 . 1 23 23 ASN HA H 1 4.486 0.030 . 1 . . . . A 23 ASN HA . 36345 1
260 . 1 . 1 23 23 ASN HB2 H 1 2.894 0.030 . 2 . . . . A 23 ASN HB2 . 36345 1
261 . 1 . 1 23 23 ASN HB3 H 1 2.891 0.030 . 2 . . . . A 23 ASN HB3 . 36345 1
262 . 1 . 1 23 23 ASN HD21 H 1 7.536 0.030 . 2 . . . . A 23 ASN HD21 . 36345 1
263 . 1 . 1 23 23 ASN HD22 H 1 6.826 0.030 . 2 . . . . A 23 ASN HD22 . 36345 1
264 . 1 . 1 23 23 ASN C C 13 181.033 0.300 . 1 . . . . A 23 ASN C . 36345 1
265 . 1 . 1 23 23 ASN CA C 13 54.335 0.300 . 1 . . . . A 23 ASN CA . 36345 1
266 . 1 . 1 23 23 ASN CB C 13 37.253 0.300 . 1 . . . . A 23 ASN CB . 36345 1
267 . 1 . 1 23 23 ASN N N 15 114.933 0.300 . 1 . . . . A 23 ASN N . 36345 1
268 . 1 . 1 23 23 ASN ND2 N 15 112.908 0.300 . 1 . . . . A 23 ASN ND2 . 36345 1
269 . 1 . 1 24 24 ARG H H 1 8.518 0.030 . 1 . . . . A 24 ARG H . 36345 1
270 . 1 . 1 24 24 ARG HA H 1 4.347 0.030 . 1 . . . . A 24 ARG HA . 36345 1
271 . 1 . 1 24 24 ARG HB2 H 1 1.493 0.030 . 2 . . . . A 24 ARG HB2 . 36345 1
272 . 1 . 1 24 24 ARG HB3 H 1 0.624 0.030 . 2 . . . . A 24 ARG HB3 . 36345 1
273 . 1 . 1 24 24 ARG HG2 H 1 1.386 0.030 . 1 . . . . A 24 ARG HG2 . 36345 1
274 . 1 . 1 24 24 ARG HG3 H 1 1.386 0.030 . 1 . . . . A 24 ARG HG3 . 36345 1
275 . 1 . 1 24 24 ARG HD2 H 1 3.243 0.030 . 2 . . . . A 24 ARG HD2 . 36345 1
276 . 1 . 1 24 24 ARG HD3 H 1 3.061 0.030 . 2 . . . . A 24 ARG HD3 . 36345 1
277 . 1 . 1 24 24 ARG HE H 1 7.615 0.030 . 1 . . . . A 24 ARG HE . 36345 1
278 . 1 . 1 24 24 ARG C C 13 170.035 0.300 . 1 . . . . A 24 ARG C . 36345 1
279 . 1 . 1 24 24 ARG CA C 13 54.704 0.300 . 1 . . . . A 24 ARG CA . 36345 1
280 . 1 . 1 24 24 ARG CB C 13 31.546 0.300 . 1 . . . . A 24 ARG CB . 36345 1
281 . 1 . 1 24 24 ARG CG C 13 27.724 0.300 . 1 . . . . A 24 ARG CG . 36345 1
282 . 1 . 1 24 24 ARG CD C 13 43.122 0.300 . 1 . . . . A 24 ARG CD . 36345 1
283 . 1 . 1 24 24 ARG N N 15 117.467 0.300 . 1 . . . . A 24 ARG N . 36345 1
284 . 1 . 1 24 24 ARG NE N 15 85.620 0.300 . 1 . . . . A 24 ARG NE . 36345 1
285 . 1 . 1 25 25 GLY H H 1 8.263 0.030 . 1 . . . . A 25 GLY H . 36345 1
286 . 1 . 1 25 25 GLY HA2 H 1 3.860 0.030 . 2 . . . . A 25 GLY HA2 . 36345 1
287 . 1 . 1 25 25 GLY HA3 H 1 3.537 0.030 . 2 . . . . A 25 GLY HA3 . 36345 1
288 . 1 . 1 25 25 GLY C C 13 180.308 0.300 . 1 . . . . A 25 GLY C . 36345 1
289 . 1 . 1 25 25 GLY CA C 13 45.269 0.300 . 1 . . . . A 25 GLY CA . 36345 1
290 . 1 . 1 25 25 GLY N N 15 108.687 0.300 . 1 . . . . A 25 GLY N . 36345 1
291 . 1 . 1 26 26 TYR H H 1 7.444 0.030 . 1 . . . . A 26 TYR H . 36345 1
292 . 1 . 1 26 26 TYR HA H 1 4.726 0.030 . 1 . . . . A 26 TYR HA . 36345 1
293 . 1 . 1 26 26 TYR HB2 H 1 3.134 0.030 . 2 . . . . A 26 TYR HB2 . 36345 1
294 . 1 . 1 26 26 TYR HB3 H 1 2.691 0.030 . 2 . . . . A 26 TYR HB3 . 36345 1
295 . 1 . 1 26 26 TYR HD1 H 1 7.149 0.030 . 1 . . . . A 26 TYR HD1 . 36345 1
296 . 1 . 1 26 26 TYR HD2 H 1 7.149 0.030 . 1 . . . . A 26 TYR HD2 . 36345 1
297 . 1 . 1 26 26 TYR HE1 H 1 6.718 0.030 . 1 . . . . A 26 TYR HE1 . 36345 1
298 . 1 . 1 26 26 TYR HE2 H 1 6.718 0.030 . 1 . . . . A 26 TYR HE2 . 36345 1
299 . 1 . 1 26 26 TYR C C 13 171.993 0.300 . 1 . . . . A 26 TYR C . 36345 1
300 . 1 . 1 26 26 TYR CA C 13 57.805 0.300 . 1 . . . . A 26 TYR CA . 36345 1
301 . 1 . 1 26 26 TYR CB C 13 36.802 0.300 . 1 . . . . A 26 TYR CB . 36345 1
302 . 1 . 1 26 26 TYR CD1 C 13 133.219 0.300 . 1 . . . . A 26 TYR CD1 . 36345 1
303 . 1 . 1 26 26 TYR CD2 C 13 133.219 0.300 . 1 . . . . A 26 TYR CD2 . 36345 1
304 . 1 . 1 26 26 TYR CE1 C 13 120.301 0.300 . 1 . . . . A 26 TYR CE1 . 36345 1
305 . 1 . 1 26 26 TYR CE2 C 13 120.301 0.300 . 1 . . . . A 26 TYR CE2 . 36345 1
306 . 1 . 1 26 26 TYR N N 15 117.879 0.300 . 1 . . . . A 26 TYR N . 36345 1
307 . 1 . 1 27 27 THR H H 1 9.730 0.030 . 1 . . . . A 27 THR H . 36345 1
308 . 1 . 1 27 27 THR HA H 1 4.524 0.030 . 1 . . . . A 27 THR HA . 36345 1
309 . 1 . 1 27 27 THR HB H 1 4.250 0.030 . 1 . . . . A 27 THR HB . 36345 1
310 . 1 . 1 27 27 THR HG21 H 1 1.252 0.030 . 1 . . . . A 27 THR HG21 . 36345 1
311 . 1 . 1 27 27 THR HG22 H 1 1.252 0.030 . 1 . . . . A 27 THR HG22 . 36345 1
312 . 1 . 1 27 27 THR HG23 H 1 1.252 0.030 . 1 . . . . A 27 THR HG23 . 36345 1
313 . 1 . 1 27 27 THR C C 13 180.505 0.300 . 1 . . . . A 27 THR C . 36345 1
314 . 1 . 1 27 27 THR CA C 13 61.478 0.300 . 1 . . . . A 27 THR CA . 36345 1
315 . 1 . 1 27 27 THR CB C 13 70.142 0.300 . 1 . . . . A 27 THR CB . 36345 1
316 . 1 . 1 27 27 THR CG2 C 13 21.644 0.300 . 1 . . . . A 27 THR CG2 . 36345 1
317 . 1 . 1 27 27 THR N N 15 114.420 0.300 . 1 . . . . A 27 THR N . 36345 1
318 . 1 . 1 28 28 GLY H H 1 7.671 0.030 . 1 . . . . A 28 GLY H . 36345 1
319 . 1 . 1 28 28 GLY HA2 H 1 4.109 0.030 . 2 . . . . A 28 GLY HA2 . 36345 1
320 . 1 . 1 28 28 GLY HA3 H 1 3.270 0.030 . 2 . . . . A 28 GLY HA3 . 36345 1
321 . 1 . 1 28 28 GLY C C 13 175.827 0.300 . 1 . . . . A 28 GLY C . 36345 1
322 . 1 . 1 28 28 GLY CA C 13 44.468 0.300 . 1 . . . . A 28 GLY CA . 36345 1
323 . 1 . 1 28 28 GLY N N 15 111.121 0.300 . 1 . . . . A 28 GLY N . 36345 1
324 . 1 . 1 29 29 SER H H 1 7.902 0.030 . 1 . . . . A 29 SER H . 36345 1
325 . 1 . 1 29 29 SER HA H 1 5.459 0.030 . 1 . . . . A 29 SER HA . 36345 1
326 . 1 . 1 29 29 SER HB2 H 1 4.073 0.030 . 2 . . . . A 29 SER HB2 . 36345 1
327 . 1 . 1 29 29 SER HB3 H 1 3.613 0.030 . 2 . . . . A 29 SER HB3 . 36345 1
328 . 1 . 1 29 29 SER C C 13 179.962 0.300 . 1 . . . . A 29 SER C . 36345 1
329 . 1 . 1 29 29 SER CA C 13 57.329 0.300 . 1 . . . . A 29 SER CA . 36345 1
330 . 1 . 1 29 29 SER CB C 13 68.122 0.300 . 1 . . . . A 29 SER CB . 36345 1
331 . 1 . 1 29 29 SER N N 15 108.908 0.300 . 1 . . . . A 29 SER N . 36345 1
332 . 1 . 1 30 30 CYS H H 1 8.931 0.030 . 1 . . . . A 30 CYS H . 36345 1
333 . 1 . 1 30 30 CYS HA H 1 5.138 0.030 . 1 . . . . A 30 CYS HA . 36345 1
334 . 1 . 1 30 30 CYS HB2 H 1 3.477 0.030 . 2 . . . . A 30 CYS HB2 . 36345 1
335 . 1 . 1 30 30 CYS HB3 H 1 3.421 0.030 . 2 . . . . A 30 CYS HB3 . 36345 1
336 . 1 . 1 30 30 CYS C C 13 179.208 0.300 . 1 . . . . A 30 CYS C . 36345 1
337 . 1 . 1 30 30 CYS CA C 13 55.739 0.300 . 1 . . . . A 30 CYS CA . 36345 1
338 . 1 . 1 30 30 CYS CB C 13 43.246 0.300 . 1 . . . . A 30 CYS CB . 36345 1
339 . 1 . 1 30 30 CYS N N 15 112.129 0.300 . 1 . . . . A 30 CYS N . 36345 1
340 . 1 . 1 31 31 GLY H H 1 8.835 0.030 . 1 . . . . A 31 GLY H . 36345 1
341 . 1 . 1 31 31 GLY HA2 H 1 4.190 0.030 . 2 . . . . A 31 GLY HA2 . 36345 1
342 . 1 . 1 31 31 GLY HA3 H 1 3.868 0.030 . 2 . . . . A 31 GLY HA3 . 36345 1
343 . 1 . 1 31 31 GLY C C 13 179.208 0.300 . 1 . . . . A 31 GLY C . 36345 1
344 . 1 . 1 31 31 GLY CA C 13 46.408 0.300 . 1 . . . . A 31 GLY CA . 36345 1
345 . 1 . 1 31 31 GLY N N 15 109.482 0.300 . 1 . . . . A 31 GLY N . 36345 1
346 . 1 . 1 32 32 TYR H H 1 7.940 0.030 . 1 . . . . A 32 TYR H . 36345 1
347 . 1 . 1 32 32 TYR HA H 1 4.517 0.030 . 1 . . . . A 32 TYR HA . 36345 1
348 . 1 . 1 32 32 TYR HB2 H 1 2.946 0.030 . 2 . . . . A 32 TYR HB2 . 36345 1
349 . 1 . 1 32 32 TYR HB3 H 1 2.784 0.030 . 2 . . . . A 32 TYR HB3 . 36345 1
350 . 1 . 1 32 32 TYR HD1 H 1 7.119 0.030 . 1 . . . . A 32 TYR HD1 . 36345 1
351 . 1 . 1 32 32 TYR HD2 H 1 7.119 0.030 . 1 . . . . A 32 TYR HD2 . 36345 1
352 . 1 . 1 32 32 TYR HE1 H 1 6.765 0.030 . 1 . . . . A 32 TYR HE1 . 36345 1
353 . 1 . 1 32 32 TYR HE2 H 1 6.765 0.030 . 1 . . . . A 32 TYR HE2 . 36345 1
354 . 1 . 1 32 32 TYR C C 13 179.711 0.300 . 1 . . . . A 32 TYR C . 36345 1
355 . 1 . 1 32 32 TYR CA C 13 58.555 0.300 . 1 . . . . A 32 TYR CA . 36345 1
356 . 1 . 1 32 32 TYR CB C 13 43.441 0.300 . 1 . . . . A 32 TYR CB . 36345 1
357 . 1 . 1 32 32 TYR CD1 C 13 134.268 0.300 . 1 . . . . A 32 TYR CD1 . 36345 1
358 . 1 . 1 32 32 TYR CD2 C 13 134.268 0.300 . 1 . . . . A 32 TYR CD2 . 36345 1
359 . 1 . 1 32 32 TYR CE1 C 13 118.440 0.300 . 1 . . . . A 32 TYR CE1 . 36345 1
360 . 1 . 1 32 32 TYR CE2 C 13 118.440 0.300 . 1 . . . . A 32 TYR CE2 . 36345 1
361 . 1 . 1 32 32 TYR N N 15 124.960 0.300 . 1 . . . . A 32 TYR N . 36345 1
362 . 1 . 1 33 33 PHE H H 1 8.539 0.030 . 1 . . . . A 33 PHE H . 36345 1
363 . 1 . 1 33 33 PHE HA H 1 4.180 0.030 . 1 . . . . A 33 PHE HA . 36345 1
364 . 1 . 1 33 33 PHE HB2 H 1 2.990 0.030 . 2 . . . . A 33 PHE HB2 . 36345 1
365 . 1 . 1 33 33 PHE HB3 H 1 2.846 0.030 . 2 . . . . A 33 PHE HB3 . 36345 1
366 . 1 . 1 33 33 PHE HD1 H 1 6.938 0.030 . 1 . . . . A 33 PHE HD1 . 36345 1
367 . 1 . 1 33 33 PHE HD2 H 1 6.938 0.030 . 1 . . . . A 33 PHE HD2 . 36345 1
368 . 1 . 1 33 33 PHE HE1 H 1 7.285 0.030 . 1 . . . . A 33 PHE HE1 . 36345 1
369 . 1 . 1 33 33 PHE HE2 H 1 7.285 0.030 . 1 . . . . A 33 PHE HE2 . 36345 1
370 . 1 . 1 33 33 PHE HZ H 1 7.362 0.030 . 1 . . . . A 33 PHE HZ . 36345 1
371 . 1 . 1 33 33 PHE CA C 13 59.142 0.300 . 1 . . . . A 33 PHE CA . 36345 1
372 . 1 . 1 33 33 PHE CB C 13 37.448 0.300 . 1 . . . . A 33 PHE CB . 36345 1
373 . 1 . 1 33 33 PHE CD1 C 13 131.365 0.300 . 1 . . . . A 33 PHE CD1 . 36345 1
374 . 1 . 1 33 33 PHE CD2 C 13 131.365 0.300 . 1 . . . . A 33 PHE CD2 . 36345 1
375 . 1 . 1 33 33 PHE CE1 C 13 129.759 0.300 . 1 . . . . A 33 PHE CE1 . 36345 1
376 . 1 . 1 33 33 PHE CE2 C 13 129.759 0.300 . 1 . . . . A 33 PHE CE2 . 36345 1
377 . 1 . 1 33 33 PHE CZ C 13 130.169 0.300 . 1 . . . . A 33 PHE CZ . 36345 1
378 . 1 . 1 33 33 PHE N N 15 125.892 0.300 . 1 . . . . A 33 PHE N . 36345 1
379 . 1 . 1 34 34 LEU HA H 1 4.492 0.030 . 1 . . . . A 34 LEU HA . 36345 1
380 . 1 . 1 34 34 LEU HB2 H 1 1.830 0.030 . 1 . . . . A 34 LEU HB2 . 36345 1
381 . 1 . 1 34 34 LEU HB3 H 1 1.830 0.030 . 1 . . . . A 34 LEU HB3 . 36345 1
382 . 1 . 1 34 34 LEU HG H 1 0.890 0.030 . 1 . . . . A 34 LEU HG . 36345 1
383 . 1 . 1 34 34 LEU HD11 H 1 0.894 0.030 . 2 . . . . A 34 LEU HD11 . 36345 1
384 . 1 . 1 34 34 LEU HD12 H 1 0.894 0.030 . 2 . . . . A 34 LEU HD12 . 36345 1
385 . 1 . 1 34 34 LEU HD13 H 1 0.894 0.030 . 2 . . . . A 34 LEU HD13 . 36345 1
386 . 1 . 1 34 34 LEU HD21 H 1 0.746 0.030 . 2 . . . . A 34 LEU HD21 . 36345 1
387 . 1 . 1 34 34 LEU HD22 H 1 0.746 0.030 . 2 . . . . A 34 LEU HD22 . 36345 1
388 . 1 . 1 34 34 LEU HD23 H 1 0.746 0.030 . 2 . . . . A 34 LEU HD23 . 36345 1
389 . 1 . 1 34 34 LEU C C 13 170.991 0.300 . 1 . . . . A 34 LEU C . 36345 1
390 . 1 . 1 34 34 LEU CA C 13 54.765 0.300 . 1 . . . . A 34 LEU CA . 36345 1
391 . 1 . 1 34 34 LEU CB C 13 40.821 0.300 . 1 . . . . A 34 LEU CB . 36345 1
392 . 1 . 1 34 34 LEU CG C 13 25.679 0.300 . 1 . . . . A 34 LEU CG . 36345 1
393 . 1 . 1 34 34 LEU CD1 C 13 25.849 0.300 . 2 . . . . A 34 LEU CD1 . 36345 1
394 . 1 . 1 34 34 LEU CD2 C 13 22.294 0.300 . 2 . . . . A 34 LEU CD2 . 36345 1
395 . 1 . 1 35 35 GLY H H 1 8.636 0.030 . 1 . . . . A 35 GLY H . 36345 1
396 . 1 . 1 35 35 GLY HA2 H 1 4.438 0.030 . 2 . . . . A 35 GLY HA2 . 36345 1
397 . 1 . 1 35 35 GLY HA3 H 1 4.425 0.030 . 2 . . . . A 35 GLY HA3 . 36345 1
398 . 1 . 1 35 35 GLY C C 13 177.962 0.300 . 1 . . . . A 35 GLY C . 36345 1
399 . 1 . 1 35 35 GLY CA C 13 47.333 0.300 . 1 . . . . A 35 GLY CA . 36345 1
400 . 1 . 1 35 35 GLY N N 15 109.939 0.300 . 1 . . . . A 35 GLY N . 36345 1
401 . 1 . 1 36 36 ILE H H 1 8.763 0.030 . 1 . . . . A 36 ILE H . 36345 1
402 . 1 . 1 36 36 ILE HA H 1 5.098 0.030 . 1 . . . . A 36 ILE HA . 36345 1
403 . 1 . 1 36 36 ILE HB H 1 1.735 0.030 . 1 . . . . A 36 ILE HB . 36345 1
404 . 1 . 1 36 36 ILE HG12 H 1 1.435 0.030 . 2 . . . . A 36 ILE HG12 . 36345 1
405 . 1 . 1 36 36 ILE HG13 H 1 1.106 0.030 . 2 . . . . A 36 ILE HG13 . 36345 1
406 . 1 . 1 36 36 ILE HG21 H 1 0.843 0.030 . 1 . . . . A 36 ILE HG21 . 36345 1
407 . 1 . 1 36 36 ILE HG22 H 1 0.843 0.030 . 1 . . . . A 36 ILE HG22 . 36345 1
408 . 1 . 1 36 36 ILE HG23 H 1 0.843 0.030 . 1 . . . . A 36 ILE HG23 . 36345 1
409 . 1 . 1 36 36 ILE HD11 H 1 0.603 0.030 . 1 . . . . A 36 ILE HD11 . 36345 1
410 . 1 . 1 36 36 ILE HD12 H 1 0.603 0.030 . 1 . . . . A 36 ILE HD12 . 36345 1
411 . 1 . 1 36 36 ILE HD13 H 1 0.603 0.030 . 1 . . . . A 36 ILE HD13 . 36345 1
412 . 1 . 1 36 36 ILE C C 13 176.804 0.300 . 1 . . . . A 36 ILE C . 36345 1
413 . 1 . 1 36 36 ILE CA C 13 59.369 0.300 . 1 . . . . A 36 ILE CA . 36345 1
414 . 1 . 1 36 36 ILE CB C 13 43.414 0.300 . 1 . . . . A 36 ILE CB . 36345 1
415 . 1 . 1 36 36 ILE CG1 C 13 27.898 0.300 . 1 . . . . A 36 ILE CG1 . 36345 1
416 . 1 . 1 36 36 ILE CG2 C 13 17.054 0.300 . 1 . . . . A 36 ILE CG2 . 36345 1
417 . 1 . 1 36 36 ILE CD1 C 13 15.016 0.300 . 1 . . . . A 36 ILE CD1 . 36345 1
418 . 1 . 1 36 36 ILE N N 15 125.393 0.300 . 1 . . . . A 36 ILE N . 36345 1
419 . 1 . 1 37 37 CYS H H 1 9.166 0.030 . 1 . . . . A 37 CYS H . 36345 1
420 . 1 . 1 37 37 CYS HA H 1 5.306 0.030 . 1 . . . . A 37 CYS HA . 36345 1
421 . 1 . 1 37 37 CYS HB2 H 1 3.513 0.030 . 2 . . . . A 37 CYS HB2 . 36345 1
422 . 1 . 1 37 37 CYS HB3 H 1 2.265 0.030 . 2 . . . . A 37 CYS HB3 . 36345 1
423 . 1 . 1 37 37 CYS C C 13 179.638 0.300 . 1 . . . . A 37 CYS C . 36345 1
424 . 1 . 1 37 37 CYS CA C 13 54.012 0.300 . 1 . . . . A 37 CYS CA . 36345 1
425 . 1 . 1 37 37 CYS CB C 13 43.683 0.300 . 1 . . . . A 37 CYS CB . 36345 1
426 . 1 . 1 37 37 CYS N N 15 126.201 0.300 . 1 . . . . A 37 CYS N . 36345 1
427 . 1 . 1 38 38 CYS H H 1 8.810 0.030 . 1 . . . . A 38 CYS H . 36345 1
428 . 1 . 1 38 38 CYS HA H 1 4.674 0.030 . 1 . . . . A 38 CYS HA . 36345 1
429 . 1 . 1 38 38 CYS HB2 H 1 2.118 0.030 . 2 . . . . A 38 CYS HB2 . 36345 1
430 . 1 . 1 38 38 CYS HB3 H 1 1.364 0.030 . 2 . . . . A 38 CYS HB3 . 36345 1
431 . 1 . 1 38 38 CYS C C 13 177.409 0.300 . 1 . . . . A 38 CYS C . 36345 1
432 . 1 . 1 38 38 CYS CA C 13 56.164 0.300 . 1 . . . . A 38 CYS CA . 36345 1
433 . 1 . 1 38 38 CYS CB C 13 45.573 0.300 . 1 . . . . A 38 CYS CB . 36345 1
434 . 1 . 1 38 38 CYS N N 15 126.483 0.300 . 1 . . . . A 38 CYS N . 36345 1
435 . 1 . 1 39 39 TYR H H 1 7.927 0.030 . 1 . . . . A 39 TYR H . 36345 1
436 . 1 . 1 39 39 TYR HA H 1 5.043 0.030 . 1 . . . . A 39 TYR HA . 36345 1
437 . 1 . 1 39 39 TYR HB2 H 1 3.080 0.030 . 2 . . . . A 39 TYR HB2 . 36345 1
438 . 1 . 1 39 39 TYR HB3 H 1 2.550 0.030 . 2 . . . . A 39 TYR HB3 . 36345 1
439 . 1 . 1 39 39 TYR HD1 H 1 6.554 0.030 . 1 . . . . A 39 TYR HD1 . 36345 1
440 . 1 . 1 39 39 TYR HD2 H 1 6.554 0.030 . 1 . . . . A 39 TYR HD2 . 36345 1
441 . 1 . 1 39 39 TYR HE1 H 1 6.621 0.030 . 1 . . . . A 39 TYR HE1 . 36345 1
442 . 1 . 1 39 39 TYR HE2 H 1 6.621 0.030 . 1 . . . . A 39 TYR HE2 . 36345 1
443 . 1 . 1 39 39 TYR CA C 13 54.401 0.300 . 1 . . . . A 39 TYR CA . 36345 1
444 . 1 . 1 39 39 TYR CB C 13 40.301 0.300 . 1 . . . . A 39 TYR CB . 36345 1
445 . 1 . 1 39 39 TYR CD1 C 13 134.050 0.300 . 1 . . . . A 39 TYR CD1 . 36345 1
446 . 1 . 1 39 39 TYR CD2 C 13 134.050 0.300 . 1 . . . . A 39 TYR CD2 . 36345 1
447 . 1 . 1 39 39 TYR CE1 C 13 117.724 0.300 . 1 . . . . A 39 TYR CE1 . 36345 1
448 . 1 . 1 39 39 TYR CE2 C 13 117.724 0.300 . 1 . . . . A 39 TYR CE2 . 36345 1
449 . 1 . 1 39 39 TYR N N 15 118.661 0.300 . 1 . . . . A 39 TYR N . 36345 1
450 . 1 . 1 40 40 PRO HA H 1 5.165 0.030 . 1 . . . . A 40 PRO HA . 36345 1
451 . 1 . 1 40 40 PRO HB2 H 1 2.663 0.030 . 2 . . . . A 40 PRO HB2 . 36345 1
452 . 1 . 1 40 40 PRO HB3 H 1 2.321 0.030 . 2 . . . . A 40 PRO HB3 . 36345 1
453 . 1 . 1 40 40 PRO HG2 H 1 2.059 0.030 . 2 . . . . A 40 PRO HG2 . 36345 1
454 . 1 . 1 40 40 PRO HG3 H 1 2.044 0.030 . 2 . . . . A 40 PRO HG3 . 36345 1
455 . 1 . 1 40 40 PRO HD2 H 1 4.228 0.030 . 2 . . . . A 40 PRO HD2 . 36345 1
456 . 1 . 1 40 40 PRO HD3 H 1 4.127 0.030 . 2 . . . . A 40 PRO HD3 . 36345 1
457 . 1 . 1 40 40 PRO C C 13 169.683 0.300 . 1 . . . . A 40 PRO C . 36345 1
458 . 1 . 1 40 40 PRO CA C 13 62.471 0.300 . 1 . . . . A 40 PRO CA . 36345 1
459 . 1 . 1 40 40 PRO CB C 13 35.842 0.300 . 1 . . . . A 40 PRO CB . 36345 1
460 . 1 . 1 40 40 PRO CG C 13 24.915 0.300 . 1 . . . . A 40 PRO CG . 36345 1
461 . 1 . 1 40 40 PRO CD C 13 51.565 0.300 . 1 . . . . A 40 PRO CD . 36345 1
462 . 1 . 1 41 41 VAL H H 1 8.271 0.030 . 1 . . . . A 41 VAL H . 36345 1
463 . 1 . 1 41 41 VAL HA H 1 4.005 0.030 . 1 . . . . A 41 VAL HA . 36345 1
464 . 1 . 1 41 41 VAL HB H 1 2.116 0.030 . 1 . . . . A 41 VAL HB . 36345 1
465 . 1 . 1 41 41 VAL HG11 H 1 1.043 0.030 . 2 . . . . A 41 VAL HG11 . 36345 1
466 . 1 . 1 41 41 VAL HG12 H 1 1.043 0.030 . 2 . . . . A 41 VAL HG12 . 36345 1
467 . 1 . 1 41 41 VAL HG13 H 1 1.043 0.030 . 2 . . . . A 41 VAL HG13 . 36345 1
468 . 1 . 1 41 41 VAL HG21 H 1 0.961 0.030 . 2 . . . . A 41 VAL HG21 . 36345 1
469 . 1 . 1 41 41 VAL HG22 H 1 0.961 0.030 . 2 . . . . A 41 VAL HG22 . 36345 1
470 . 1 . 1 41 41 VAL HG23 H 1 0.961 0.030 . 2 . . . . A 41 VAL HG23 . 36345 1
471 . 1 . 1 41 41 VAL C C 13 180.458 0.300 . 1 . . . . A 41 VAL C . 36345 1
472 . 1 . 1 41 41 VAL CA C 13 64.178 0.300 . 1 . . . . A 41 VAL CA . 36345 1
473 . 1 . 1 41 41 VAL CB C 13 32.691 0.300 . 1 . . . . A 41 VAL CB . 36345 1
474 . 1 . 1 41 41 VAL CG1 C 13 20.644 0.300 . 2 . . . . A 41 VAL CG1 . 36345 1
475 . 1 . 1 41 41 VAL CG2 C 13 21.185 0.300 . 2 . . . . A 41 VAL CG2 . 36345 1
476 . 1 . 1 41 41 VAL N N 15 118.129 0.300 . 1 . . . . A 41 VAL N . 36345 1
477 . 1 . 1 42 42 ASP H H 1 8.386 0.030 . 1 . . . . A 42 ASP H . 36345 1
478 . 1 . 1 42 42 ASP HA H 1 4.407 0.030 . 1 . . . . A 42 ASP HA . 36345 1
479 . 1 . 1 42 42 ASP HB2 H 1 3.228 0.030 . 2 . . . . A 42 ASP HB2 . 36345 1
480 . 1 . 1 42 42 ASP HB3 H 1 3.050 0.030 . 2 . . . . A 42 ASP HB3 . 36345 1
481 . 1 . 1 42 42 ASP CA C 13 55.054 0.300 . 1 . . . . A 42 ASP CA . 36345 1
482 . 1 . 1 42 42 ASP CB C 13 43.108 0.300 . 1 . . . . A 42 ASP CB . 36345 1
483 . 1 . 1 42 42 ASP N N 15 129.338 0.300 . 1 . . . . A 42 ASP N . 36345 1
stop_
save_