###################################
# 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 34963
_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 '3D 1H-15N NOESY' . . . 34963 1
2 '3D 1H-15N TOCSY' . . . 34963 1
3 '2D 1H-1H NOESY' . . . 34963 1
4 '2D 1H-1H TOCSY' . . . 34963 1
5 '2D DQF-COSY' . . . 34963 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 2 2 HIS HA H 1 4.720 0.000 . . . . . . A 18 HIS HA . 34963 1
2 . 1 . 1 2 2 HIS HB2 H 1 3.160 0.000 . . . . . . A 18 HIS HB2 . 34963 1
3 . 1 . 1 2 2 HIS HB3 H 1 3.200 0.000 . . . . . . A 18 HIS HB3 . 34963 1
4 . 1 . 1 2 2 HIS HD2 H 1 7.201 0.000 . . . . . . A 18 HIS HD2 . 34963 1
5 . 1 . 1 2 2 HIS HE1 H 1 8.307 0.000 . . . . . . A 18 HIS HE1 . 34963 1
6 . 1 . 1 3 3 MET H H 1 8.461 0.000 . . . . . . A 19 MET H . 34963 1
7 . 1 . 1 3 3 MET HA H 1 4.464 0.000 . . . . . . A 19 MET HA . 34963 1
8 . 1 . 1 3 3 MET HB2 H 1 1.975 0.000 . . . . . . A 19 MET HB2 . 34963 1
9 . 1 . 1 3 3 MET HB3 H 1 2.050 0.000 . . . . . . A 19 MET HB3 . 34963 1
10 . 1 . 1 3 3 MET HG2 H 1 2.510 0.000 . . . . . . A 19 MET HG2 . 34963 1
11 . 1 . 1 3 3 MET HG3 H 1 2.567 0.000 . . . . . . A 19 MET HG3 . 34963 1
12 . 1 . 1 3 3 MET N N 15 122.750 0.000 . . . . . . A 19 MET N . 34963 1
13 . 1 . 1 4 4 ALA H H 1 8.347 0.000 . . . . . . A 20 ALA H . 34963 1
14 . 1 . 1 4 4 ALA HA H 1 4.327 0.000 . . . . . . A 20 ALA HA . 34963 1
15 . 1 . 1 4 4 ALA HB1 H 1 1.358 0.000 . . . . . . A 20 ALA HB1 . 34963 1
16 . 1 . 1 4 4 ALA HB2 H 1 1.358 0.000 . . . . . . A 20 ALA HB2 . 34963 1
17 . 1 . 1 4 4 ALA HB3 H 1 1.358 0.000 . . . . . . A 20 ALA HB3 . 34963 1
18 . 1 . 1 4 4 ALA N N 15 126.310 0.000 . . . . . . A 20 ALA N . 34963 1
19 . 1 . 1 5 5 VAL H H 1 7.992 0.000 . . . . . . A 21 VAL H . 34963 1
20 . 1 . 1 5 5 VAL HA H 1 3.964 0.000 . . . . . . A 21 VAL HA . 34963 1
21 . 1 . 1 5 5 VAL HB H 1 1.853 0.000 . . . . . . A 21 VAL HB . 34963 1
22 . 1 . 1 5 5 VAL HG11 H 1 0.827 0.000 . . . . . . A 21 VAL HG11 . 34963 1
23 . 1 . 1 5 5 VAL HG12 H 1 0.827 0.000 . . . . . . A 21 VAL HG12 . 34963 1
24 . 1 . 1 5 5 VAL HG13 H 1 0.827 0.000 . . . . . . A 21 VAL HG13 . 34963 1
25 . 1 . 1 5 5 VAL HG21 H 1 0.527 0.000 . . . . . . A 21 VAL HG21 . 34963 1
26 . 1 . 1 5 5 VAL HG22 H 1 0.527 0.000 . . . . . . A 21 VAL HG22 . 34963 1
27 . 1 . 1 5 5 VAL HG23 H 1 0.527 0.000 . . . . . . A 21 VAL HG23 . 34963 1
28 . 1 . 1 5 5 VAL N N 15 120.650 0.000 . . . . . . A 21 VAL N . 34963 1
29 . 1 . 1 6 6 VAL H H 1 7.855 0.000 . . . . . . A 22 VAL H . 34963 1
30 . 1 . 1 6 6 VAL HA H 1 4.404 0.000 . . . . . . A 22 VAL HA . 34963 1
31 . 1 . 1 6 6 VAL HB H 1 2.055 0.000 . . . . . . A 22 VAL HB . 34963 1
32 . 1 . 1 6 6 VAL HG11 H 1 0.922 0.000 . . . . . . A 22 VAL HG11 . 34963 1
33 . 1 . 1 6 6 VAL HG12 H 1 0.922 0.000 . . . . . . A 22 VAL HG12 . 34963 1
34 . 1 . 1 6 6 VAL HG13 H 1 0.922 0.000 . . . . . . A 22 VAL HG13 . 34963 1
35 . 1 . 1 6 6 VAL HG21 H 1 0.859 0.000 . . . . . . A 22 VAL HG21 . 34963 1
36 . 1 . 1 6 6 VAL HG22 H 1 0.859 0.000 . . . . . . A 22 VAL HG22 . 34963 1
37 . 1 . 1 6 6 VAL HG23 H 1 0.859 0.000 . . . . . . A 22 VAL HG23 . 34963 1
38 . 1 . 1 6 6 VAL N N 15 122.450 0.000 . . . . . . A 22 VAL N . 34963 1
39 . 1 . 1 7 7 TYR H H 1 8.648 0.000 . . . . . . A 23 TYR H . 34963 1
40 . 1 . 1 7 7 TYR HA H 1 4.774 0.000 . . . . . . A 23 TYR HA . 34963 1
41 . 1 . 1 7 7 TYR HB2 H 1 2.626 0.000 . . . . . . A 23 TYR HB2 . 34963 1
42 . 1 . 1 7 7 TYR HB3 H 1 2.780 0.000 . . . . . . A 23 TYR HB3 . 34963 1
43 . 1 . 1 7 7 TYR HD1 H 1 7.265 0.000 . 3 . . . . A 23 TYR HD1 . 34963 1
44 . 1 . 1 7 7 TYR HD2 H 1 7.265 0.000 . 3 . . . . A 23 TYR HD2 . 34963 1
45 . 1 . 1 7 7 TYR HE1 H 1 6.779 0.000 . 3 . . . . A 23 TYR HE1 . 34963 1
46 . 1 . 1 7 7 TYR HE2 H 1 6.779 0.000 . 3 . . . . A 23 TYR HE2 . 34963 1
47 . 1 . 1 7 7 TYR N N 15 123.140 0.000 . . . . . . A 23 TYR N . 34963 1
48 . 1 . 1 8 8 ALA H H 1 8.701 0.000 . . . . . . A 24 ALA H . 34963 1
49 . 1 . 1 8 8 ALA HA H 1 4.689 0.000 . . . . . . A 24 ALA HA . 34963 1
50 . 1 . 1 8 8 ALA HB1 H 1 1.252 0.000 . . . . . . A 24 ALA HB1 . 34963 1
51 . 1 . 1 8 8 ALA HB2 H 1 1.252 0.000 . . . . . . A 24 ALA HB2 . 34963 1
52 . 1 . 1 8 8 ALA HB3 H 1 1.252 0.000 . . . . . . A 24 ALA HB3 . 34963 1
53 . 1 . 1 8 8 ALA N N 15 125.530 0.000 . . . . . . A 24 ALA N . 34963 1
54 . 1 . 1 9 9 ALA H H 1 8.793 0.000 . . . . . . A 25 ALA H . 34963 1
55 . 1 . 1 9 9 ALA HA H 1 4.796 0.000 . . . . . . A 25 ALA HA . 34963 1
56 . 1 . 1 9 9 ALA HB1 H 1 0.612 0.000 . . . . . . A 25 ALA HB1 . 34963 1
57 . 1 . 1 9 9 ALA HB2 H 1 0.612 0.000 . . . . . . A 25 ALA HB2 . 34963 1
58 . 1 . 1 9 9 ALA HB3 H 1 0.612 0.000 . . . . . . A 25 ALA HB3 . 34963 1
59 . 1 . 1 9 9 ALA N N 15 122.840 0.000 . . . . . . A 25 ALA N . 34963 1
60 . 1 . 1 10 10 ARG H H 1 9.586 0.000 . . . . . . A 26 ARG H . 34963 1
61 . 1 . 1 10 10 ARG HA H 1 4.876 0.000 . . . . . . A 26 ARG HA . 34963 1
62 . 1 . 1 10 10 ARG HB2 H 1 1.806 0.000 . . . . . . A 26 ARG HB2 . 34963 1
63 . 1 . 1 10 10 ARG HB3 H 1 1.858 0.000 . . . . . . A 26 ARG HB3 . 34963 1
64 . 1 . 1 10 10 ARG HG2 H 1 1.676 0.000 . . . . . . A 26 ARG HG2 . 34963 1
65 . 1 . 1 10 10 ARG HG3 H 1 1.701 0.000 . . . . . . A 26 ARG HG3 . 34963 1
66 . 1 . 1 10 10 ARG HD2 H 1 3.224 0.000 . . . . . . A 26 ARG HD2 . 34963 1
67 . 1 . 1 10 10 ARG HD3 H 1 3.296 0.000 . . . . . . A 26 ARG HD3 . 34963 1
68 . 1 . 1 10 10 ARG HE H 1 7.594 0.000 . . . . . . A 26 ARG HE . 34963 1
69 . 1 . 1 10 10 ARG N N 15 123.330 0.000 . . . . . . A 26 ARG N . 34963 1
70 . 1 . 1 10 10 ARG NE N 15 86.780 0.000 . . . . . . A 26 ARG NE . 34963 1
71 . 1 . 1 11 11 CYS H H 1 8.091 0.000 . . . . . . A 27 CYS H . 34963 1
72 . 1 . 1 11 11 CYS HA H 1 5.476 0.000 . . . . . . A 27 CYS HA . 34963 1
73 . 1 . 1 11 11 CYS HB2 H 1 2.625 0.000 . . . . . . A 27 CYS HB2 . 34963 1
74 . 1 . 1 11 11 CYS HB3 H 1 3.257 0.000 . . . . . . A 27 CYS HB3 . 34963 1
75 . 1 . 1 11 11 CYS N N 15 122.990 0.000 . . . . . . A 27 CYS N . 34963 1
76 . 1 . 1 12 12 LYS H H 1 9.075 0.000 . . . . . . A 28 LYS H . 34963 1
77 . 1 . 1 12 12 LYS HA H 1 5.010 0.000 . . . . . . A 28 LYS HA . 34963 1
78 . 1 . 1 12 12 LYS HB2 H 1 1.558 0.000 . . . . . . A 28 LYS HB2 . 34963 1
79 . 1 . 1 12 12 LYS HB3 H 1 1.890 0.000 . . . . . . A 28 LYS HB3 . 34963 1
80 . 1 . 1 12 12 LYS HG2 H 1 0.858 0.000 . . . . . . A 28 LYS HG2 . 34963 1
81 . 1 . 1 12 12 LYS HG3 H 1 0.900 0.000 . . . . . . A 28 LYS HG3 . 34963 1
82 . 1 . 1 12 12 LYS HD2 H 1 1.527 0.000 . . . . . . A 28 LYS HD2 . 34963 1
83 . 1 . 1 12 12 LYS HD3 H 1 1.706 0.000 . . . . . . A 28 LYS HD3 . 34963 1
84 . 1 . 1 12 12 LYS HE2 H 1 2.804 0.000 . . . . . . A 28 LYS HE2 . 34963 1
85 . 1 . 1 12 12 LYS HE3 H 1 2.897 0.000 . . . . . . A 28 LYS HE3 . 34963 1
86 . 1 . 1 12 12 LYS N N 15 127.630 0.000 . . . . . . A 28 LYS N . 34963 1
87 . 1 . 1 13 13 PHE H H 1 8.885 0.000 . . . . . . A 29 PHE H . 34963 1
88 . 1 . 1 13 13 PHE HA H 1 4.786 0.000 . . . . . . A 29 PHE HA . 34963 1
89 . 1 . 1 13 13 PHE HB2 H 1 2.972 0.000 . . . . . . A 29 PHE HB2 . 34963 1
90 . 1 . 1 13 13 PHE HB3 H 1 3.226 0.000 . . . . . . A 29 PHE HB3 . 34963 1
91 . 1 . 1 13 13 PHE HD1 H 1 7.285 0.000 . 3 . . . . A 29 PHE HD1 . 34963 1
92 . 1 . 1 13 13 PHE HD2 H 1 7.285 0.000 . 3 . . . . A 29 PHE HD2 . 34963 1
93 . 1 . 1 13 13 PHE HE1 H 1 7.137 0.000 . 3 . . . . A 29 PHE HE1 . 34963 1
94 . 1 . 1 13 13 PHE HE2 H 1 7.137 0.000 . 3 . . . . A 29 PHE HE2 . 34963 1
95 . 1 . 1 13 13 PHE HZ H 1 7.103 0.000 . . . . . . A 29 PHE HZ . 34963 1
96 . 1 . 1 13 13 PHE N N 15 117.820 0.000 . . . . . . A 29 PHE N . 34963 1
97 . 1 . 1 14 14 GLY H H 1 8.759 0.000 . . . . . . A 30 GLY H . 34963 1
98 . 1 . 1 14 14 GLY HA2 H 1 4.441 0.000 . . . . . . A 30 GLY HA2 . 34963 1
99 . 1 . 1 14 14 GLY HA3 H 1 3.752 0.000 . . . . . . A 30 GLY HA3 . 34963 1
100 . 1 . 1 14 14 GLY N N 15 108.590 0.000 . . . . . . A 30 GLY N . 34963 1
101 . 1 . 1 15 15 ASN H H 1 7.809 0.000 . . . . . . A 31 ASN H . 34963 1
102 . 1 . 1 15 15 ASN HA H 1 4.831 0.000 . . . . . . A 31 ASN HA . 34963 1
103 . 1 . 1 15 15 ASN HB2 H 1 2.641 0.000 . . . . . . A 31 ASN HB2 . 34963 1
104 . 1 . 1 15 15 ASN HB3 H 1 2.883 0.000 . . . . . . A 31 ASN HB3 . 34963 1
105 . 1 . 1 15 15 ASN HD21 H 1 7.563 0.000 . . . . . . A 31 ASN HD21 . 34963 1
106 . 1 . 1 15 15 ASN HD22 H 1 6.860 0.000 . . . . . . A 31 ASN HD22 . 34963 1
107 . 1 . 1 15 15 ASN N N 15 114.200 0.000 . . . . . . A 31 ASN N . 34963 1
108 . 1 . 1 15 15 ASN ND2 N 15 111.910 0.000 . . . . . . A 31 ASN ND2 . 34963 1
109 . 1 . 1 16 16 PRO HA H 1 4.769 0.000 . . . . . . A 32 PRO HA . 34963 1
110 . 1 . 1 16 16 PRO HB2 H 1 2.034 0.000 . . . . . . A 32 PRO HB2 . 34963 1
111 . 1 . 1 16 16 PRO HB3 H 1 2.436 0.000 . . . . . . A 32 PRO HB3 . 34963 1
112 . 1 . 1 16 16 PRO HG2 H 1 1.840 0.000 . . . . . . A 32 PRO HG2 . 34963 1
113 . 1 . 1 16 16 PRO HG3 H 1 1.949 0.000 . . . . . . A 32 PRO HG3 . 34963 1
114 . 1 . 1 16 16 PRO HD2 H 1 3.509 0.000 . . . . . . A 32 PRO HD2 . 34963 1
115 . 1 . 1 16 16 PRO HD3 H 1 3.635 0.000 . . . . . . A 32 PRO HD3 . 34963 1
116 . 1 . 1 17 17 LEU H H 1 8.320 0.000 . . . . . . A 33 LEU H . 34963 1
117 . 1 . 1 17 17 LEU HA H 1 3.984 0.000 . . . . . . A 33 LEU HA . 34963 1
118 . 1 . 1 17 17 LEU HB2 H 1 1.188 0.000 . . . . . . A 33 LEU HB2 . 34963 1
119 . 1 . 1 17 17 LEU HB3 H 1 1.712 0.000 . . . . . . A 33 LEU HB3 . 34963 1
120 . 1 . 1 17 17 LEU HG H 1 1.731 0.000 . . . . . . A 33 LEU HG . 34963 1
121 . 1 . 1 17 17 LEU HD11 H 1 0.887 0.000 . . . . . . A 33 LEU HD11 . 34963 1
122 . 1 . 1 17 17 LEU HD12 H 1 0.887 0.000 . . . . . . A 33 LEU HD12 . 34963 1
123 . 1 . 1 17 17 LEU HD13 H 1 0.887 0.000 . . . . . . A 33 LEU HD13 . 34963 1
124 . 1 . 1 17 17 LEU HD21 H 1 0.845 0.000 . . . . . . A 33 LEU HD21 . 34963 1
125 . 1 . 1 17 17 LEU HD22 H 1 0.845 0.000 . . . . . . A 33 LEU HD22 . 34963 1
126 . 1 . 1 17 17 LEU HD23 H 1 0.845 0.000 . . . . . . A 33 LEU HD23 . 34963 1
127 . 1 . 1 17 17 LEU N N 15 120.740 0.000 . . . . . . A 33 LEU N . 34963 1
128 . 1 . 1 18 18 VAL H H 1 8.957 0.000 . . . . . . A 34 VAL H . 34963 1
129 . 1 . 1 18 18 VAL HA H 1 4.608 0.000 . . . . . . A 34 VAL HA . 34963 1
130 . 1 . 1 18 18 VAL HB H 1 2.206 0.000 . . . . . . A 34 VAL HB . 34963 1
131 . 1 . 1 18 18 VAL HG11 H 1 1.061 0.000 . . . . . . A 34 VAL HG11 . 34963 1
132 . 1 . 1 18 18 VAL HG12 H 1 1.061 0.000 . . . . . . A 34 VAL HG12 . 34963 1
133 . 1 . 1 18 18 VAL HG13 H 1 1.061 0.000 . . . . . . A 34 VAL HG13 . 34963 1
134 . 1 . 1 18 18 VAL HG21 H 1 1.032 0.000 . . . . . . A 34 VAL HG21 . 34963 1
135 . 1 . 1 18 18 VAL HG22 H 1 1.032 0.000 . . . . . . A 34 VAL HG22 . 34963 1
136 . 1 . 1 18 18 VAL HG23 H 1 1.032 0.000 . . . . . . A 34 VAL HG23 . 34963 1
137 . 1 . 1 18 18 VAL N N 15 122.160 0.000 . . . . . . A 34 VAL N . 34963 1
138 . 1 . 1 19 19 GLN H H 1 9.544 0.000 . . . . . . A 35 GLN H . 34963 1
139 . 1 . 1 19 19 GLN HA H 1 4.071 0.000 . . . . . . A 35 GLN HA . 34963 1
140 . 1 . 1 19 19 GLN HB2 H 1 2.269 0.000 . . . . . . A 35 GLN HB2 . 34963 1
141 . 1 . 1 19 19 GLN HB3 H 1 2.206 0.000 . . . . . . A 35 GLN HB3 . 34963 1
142 . 1 . 1 19 19 GLN HG2 H 1 2.469 0.000 . . . . . . A 35 GLN HG2 . 34963 1
143 . 1 . 1 19 19 GLN HG3 H 1 2.491 0.000 . . . . . . A 35 GLN HG3 . 34963 1
144 . 1 . 1 19 19 GLN HE21 H 1 8.350 0.000 . . . . . . A 35 GLN HE21 . 34963 1
145 . 1 . 1 19 19 GLN HE22 H 1 7.523 0.000 . . . . . . A 35 GLN HE22 . 34963 1
146 . 1 . 1 19 19 GLN N N 15 126.550 0.000 . . . . . . A 35 GLN N . 34963 1
147 . 1 . 1 19 19 GLN NE2 N 15 115.840 0.000 . . . . . . A 35 GLN NE2 . 34963 1
148 . 1 . 1 20 20 ASN H H 1 8.107 0.000 . . . . . . A 36 ASN H . 34963 1
149 . 1 . 1 20 20 ASN HA H 1 5.167 0.000 . . . . . . A 36 ASN HA . 34963 1
150 . 1 . 1 20 20 ASN HB2 H 1 2.754 0.000 . . . . . . A 36 ASN HB2 . 34963 1
151 . 1 . 1 20 20 ASN HB3 H 1 2.802 0.000 . . . . . . A 36 ASN HB3 . 34963 1
152 . 1 . 1 20 20 ASN HD21 H 1 7.218 0.000 . . . . . . A 36 ASN HD21 . 34963 1
153 . 1 . 1 20 20 ASN HD22 H 1 6.804 0.000 . . . . . . A 36 ASN HD22 . 34963 1
154 . 1 . 1 20 20 ASN N N 15 123.870 0.000 . . . . . . A 36 ASN N . 34963 1
155 . 1 . 1 20 20 ASN ND2 N 15 113.990 0.000 . . . . . . A 36 ASN ND2 . 34963 1
156 . 1 . 1 21 21 ASN HA H 1 4.429 0.000 . . . . . . A 37 ASN HA . 34963 1
157 . 1 . 1 21 21 ASN HB2 H 1 2.964 0.000 . . . . . . A 37 ASN HB2 . 34963 1
158 . 1 . 1 21 21 ASN HB3 H 1 3.029 0.000 . . . . . . A 37 ASN HB3 . 34963 1
159 . 1 . 1 21 21 ASN HD21 H 1 7.803 0.000 . . . . . . A 37 ASN HD21 . 34963 1
160 . 1 . 1 21 21 ASN HD22 H 1 7.114 0.000 . . . . . . A 37 ASN HD22 . 34963 1
161 . 1 . 1 21 21 ASN ND2 N 15 111.870 0.000 . . . . . . A 37 ASN ND2 . 34963 1
162 . 1 . 1 22 22 ARG H H 1 8.362 0.000 . . . . . . A 38 ARG H . 34963 1
163 . 1 . 1 22 22 ARG HA H 1 3.859 0.000 . . . . . . A 38 ARG HA . 34963 1
164 . 1 . 1 22 22 ARG HB2 H 1 1.897 0.000 . . . . . . A 38 ARG HB2 . 34963 1
165 . 1 . 1 22 22 ARG HB3 H 1 1.920 0.000 . . . . . . A 38 ARG HB3 . 34963 1
166 . 1 . 1 22 22 ARG HG2 H 1 1.434 0.000 . . . . . . A 38 ARG HG2 . 34963 1
167 . 1 . 1 22 22 ARG HG3 H 1 1.631 0.000 . . . . . . A 38 ARG HG3 . 34963 1
168 . 1 . 1 22 22 ARG HD2 H 1 3.152 0.000 . . . . . . A 38 ARG HD2 . 34963 1
169 . 1 . 1 22 22 ARG HD3 H 1 3.236 0.000 . . . . . . A 38 ARG HD3 . 34963 1
170 . 1 . 1 22 22 ARG HE H 1 7.406 0.000 . . . . . . A 38 ARG HE . 34963 1
171 . 1 . 1 22 22 ARG N N 15 122.840 0.000 . . . . . . A 38 ARG N . 34963 1
172 . 1 . 1 22 22 ARG NE N 15 84.100 0.000 . . . . . . A 38 ARG NE . 34963 1
173 . 1 . 1 23 23 ILE H H 1 8.526 0.000 . . . . . . A 39 ILE H . 34963 1
174 . 1 . 1 23 23 ILE HA H 1 3.523 0.000 . . . . . . A 39 ILE HA . 34963 1
175 . 1 . 1 23 23 ILE HB H 1 1.511 0.000 . . . . . . A 39 ILE HB . 34963 1
176 . 1 . 1 23 23 ILE HG12 H 1 0.846 0.000 . . . . . . A 39 ILE HG12 . 34963 1
177 . 1 . 1 23 23 ILE HG13 H 1 1.173 0.000 . . . . . . A 39 ILE HG13 . 34963 1
178 . 1 . 1 23 23 ILE HG21 H 1 0.795 0.000 . . . . . . A 39 ILE HG21 . 34963 1
179 . 1 . 1 23 23 ILE HG22 H 1 0.795 0.000 . . . . . . A 39 ILE HG22 . 34963 1
180 . 1 . 1 23 23 ILE HG23 H 1 0.795 0.000 . . . . . . A 39 ILE HG23 . 34963 1
181 . 1 . 1 23 23 ILE HD11 H 1 0.299 0.000 . . . . . . A 39 ILE HD11 . 34963 1
182 . 1 . 1 23 23 ILE HD12 H 1 0.299 0.000 . . . . . . A 39 ILE HD12 . 34963 1
183 . 1 . 1 23 23 ILE HD13 H 1 0.299 0.000 . . . . . . A 39 ILE HD13 . 34963 1
184 . 1 . 1 23 23 ILE N N 15 119.330 0.000 . . . . . . A 39 ILE N . 34963 1
185 . 1 . 1 24 24 THR H H 1 8.637 0.000 . . . . . . A 40 THR H . 34963 1
186 . 1 . 1 24 24 THR HA H 1 3.787 0.000 . . . . . . A 40 THR HA . 34963 1
187 . 1 . 1 24 24 THR HB H 1 4.548 0.000 . . . . . . A 40 THR HB . 34963 1
188 . 1 . 1 24 24 THR HG1 H 1 5.131 0.000 . . . . . . A 40 THR HG1 . 34963 1
189 . 1 . 1 24 24 THR HG21 H 1 1.811 0.000 . . . . . . A 40 THR HG21 . 34963 1
190 . 1 . 1 24 24 THR HG22 H 1 1.811 0.000 . . . . . . A 40 THR HG22 . 34963 1
191 . 1 . 1 24 24 THR HG23 H 1 1.811 0.000 . . . . . . A 40 THR HG23 . 34963 1
192 . 1 . 1 24 24 THR N N 15 116.990 0.000 . . . . . . A 40 THR N . 34963 1
193 . 1 . 1 25 25 ARG H H 1 8.366 0.000 . . . . . . A 41 ARG H . 34963 1
194 . 1 . 1 25 25 ARG HA H 1 3.279 0.000 . . . . . . A 41 ARG HA . 34963 1
195 . 1 . 1 25 25 ARG HB2 H 1 0.389 0.000 . . . . . . A 41 ARG HB2 . 34963 1
196 . 1 . 1 25 25 ARG HB3 H 1 1.401 0.000 . . . . . . A 41 ARG HB3 . 34963 1
197 . 1 . 1 25 25 ARG HG2 H 1 0.922 0.000 . . . . . . A 41 ARG HG2 . 34963 1
198 . 1 . 1 25 25 ARG HG3 H 1 1.225 0.000 . . . . . . A 41 ARG HG3 . 34963 1
199 . 1 . 1 25 25 ARG HD2 H 1 2.886 0.000 . . . . . . A 41 ARG HD2 . 34963 1
200 . 1 . 1 25 25 ARG HD3 H 1 2.988 0.000 . . . . . . A 41 ARG HD3 . 34963 1
201 . 1 . 1 25 25 ARG HE H 1 7.870 0.000 . . . . . . A 41 ARG HE . 34963 1
202 . 1 . 1 25 25 ARG N N 15 123.430 0.000 . . . . . . A 41 ARG N . 34963 1
203 . 1 . 1 25 25 ARG NE N 15 85.970 0.000 . . . . . . A 41 ARG NE . 34963 1
204 . 1 . 1 26 26 ALA H H 1 7.378 0.000 . . . . . . A 42 ALA H . 34963 1
205 . 1 . 1 26 26 ALA HA H 1 4.112 0.000 . . . . . . A 42 ALA HA . 34963 1
206 . 1 . 1 26 26 ALA HB1 H 1 1.359 0.000 . . . . . . A 42 ALA HB1 . 34963 1
207 . 1 . 1 26 26 ALA HB2 H 1 1.359 0.000 . . . . . . A 42 ALA HB2 . 34963 1
208 . 1 . 1 26 26 ALA HB3 H 1 1.359 0.000 . . . . . . A 42 ALA HB3 . 34963 1
209 . 1 . 1 26 26 ALA N N 15 120.740 0.000 . . . . . . A 42 ALA N . 34963 1
210 . 1 . 1 27 27 VAL H H 1 8.940 0.000 . . . . . . A 43 VAL H . 34963 1
211 . 1 . 1 27 27 VAL HA H 1 3.408 0.000 . . . . . . A 43 VAL HA . 34963 1
212 . 1 . 1 27 27 VAL HB H 1 1.828 0.000 . . . . . . A 43 VAL HB . 34963 1
213 . 1 . 1 27 27 VAL HG11 H 1 0.890 0.000 . . . . . . A 43 VAL HG11 . 34963 1
214 . 1 . 1 27 27 VAL HG12 H 1 0.890 0.000 . . . . . . A 43 VAL HG12 . 34963 1
215 . 1 . 1 27 27 VAL HG13 H 1 0.890 0.000 . . . . . . A 43 VAL HG13 . 34963 1
216 . 1 . 1 27 27 VAL HG21 H 1 0.186 0.000 . . . . . . A 43 VAL HG21 . 34963 1
217 . 1 . 1 27 27 VAL HG22 H 1 0.186 0.000 . . . . . . A 43 VAL HG22 . 34963 1
218 . 1 . 1 27 27 VAL HG23 H 1 0.186 0.000 . . . . . . A 43 VAL HG23 . 34963 1
219 . 1 . 1 27 27 VAL N N 15 117.930 0.000 . . . . . . A 43 VAL N . 34963 1
220 . 1 . 1 28 28 CYS H H 1 9.129 0.000 . . . . . . A 44 CYS H . 34963 1
221 . 1 . 1 28 28 CYS HA H 1 4.330 0.000 . . . . . . A 44 CYS HA . 34963 1
222 . 1 . 1 28 28 CYS HB2 H 1 3.622 0.000 . . . . . . A 44 CYS HB2 . 34963 1
223 . 1 . 1 28 28 CYS HB3 H 1 3.787 0.000 . . . . . . A 44 CYS HB3 . 34963 1
224 . 1 . 1 28 28 CYS N N 15 127.630 0.000 . . . . . . A 44 CYS N . 34963 1
225 . 1 . 1 29 29 ASP H H 1 8.423 0.000 . . . . . . A 45 ASP H . 34963 1
226 . 1 . 1 29 29 ASP HA H 1 4.585 0.000 . . . . . . A 45 ASP HA . 34963 1
227 . 1 . 1 29 29 ASP HB2 H 1 2.759 0.000 . . . . . . A 45 ASP HB2 . 34963 1
228 . 1 . 1 29 29 ASP HB3 H 1 2.820 0.000 . . . . . . A 45 ASP HB3 . 34963 1
229 . 1 . 1 29 29 ASP N N 15 119.180 0.000 . . . . . . A 45 ASP N . 34963 1
230 . 1 . 1 30 30 LEU H H 1 8.290 0.000 . . . . . . A 46 LEU H . 34963 1
231 . 1 . 1 30 30 LEU HA H 1 3.939 0.000 . . . . . . A 46 LEU HA . 34963 1
232 . 1 . 1 30 30 LEU HB2 H 1 0.319 0.000 . . . . . . A 46 LEU HB2 . 34963 1
233 . 1 . 1 30 30 LEU HB3 H 1 1.482 0.000 . . . . . . A 46 LEU HB3 . 34963 1
234 . 1 . 1 30 30 LEU HG H 1 1.561 0.000 . . . . . . A 46 LEU HG . 34963 1
235 . 1 . 1 30 30 LEU HD11 H 1 0.582 0.000 . . . . . . A 46 LEU HD11 . 34963 1
236 . 1 . 1 30 30 LEU HD12 H 1 0.582 0.000 . . . . . . A 46 LEU HD12 . 34963 1
237 . 1 . 1 30 30 LEU HD13 H 1 0.582 0.000 . . . . . . A 46 LEU HD13 . 34963 1
238 . 1 . 1 30 30 LEU HD21 H 1 0.621 0.000 . . . . . . A 46 LEU HD21 . 34963 1
239 . 1 . 1 30 30 LEU HD22 H 1 0.621 0.000 . . . . . . A 46 LEU HD22 . 34963 1
240 . 1 . 1 30 30 LEU HD23 H 1 0.621 0.000 . . . . . . A 46 LEU HD23 . 34963 1
241 . 1 . 1 30 30 LEU N N 15 122.650 0.000 . . . . . . A 46 LEU N . 34963 1
242 . 1 . 1 31 31 THR H H 1 8.461 0.000 . . . . . . A 47 THR H . 34963 1
243 . 1 . 1 31 31 THR HA H 1 3.762 0.000 . . . . . . A 47 THR HA . 34963 1
244 . 1 . 1 31 31 THR HB H 1 4.120 0.000 . . . . . . A 47 THR HB . 34963 1
245 . 1 . 1 31 31 THR HG21 H 1 -0.170 0.000 . . . . . . A 47 THR HG21 . 34963 1
246 . 1 . 1 31 31 THR HG22 H 1 -0.170 0.000 . . . . . . A 47 THR HG22 . 34963 1
247 . 1 . 1 31 31 THR HG23 H 1 -0.170 0.000 . . . . . . A 47 THR HG23 . 34963 1
248 . 1 . 1 31 31 THR N N 15 118.940 0.000 . . . . . . A 47 THR N . 34963 1
249 . 1 . 1 32 32 ASN H H 1 8.259 0.000 . . . . . . A 48 ASN H . 34963 1
250 . 1 . 1 32 32 ASN HA H 1 4.970 0.000 . . . . . . A 48 ASN HA . 34963 1
251 . 1 . 1 32 32 ASN HB2 H 1 3.782 0.000 . . . . . . A 48 ASN HB2 . 34963 1
252 . 1 . 1 32 32 ASN HB3 H 1 3.328 0.000 . . . . . . A 48 ASN HB3 . 34963 1
253 . 1 . 1 32 32 ASN HD21 H 1 8.386 0.000 . . . . . . A 48 ASN HD21 . 34963 1
254 . 1 . 1 32 32 ASN HD22 H 1 7.462 0.000 . . . . . . A 48 ASN HD22 . 34963 1
255 . 1 . 1 32 32 ASN N N 15 121.280 0.000 . . . . . . A 48 ASN N . 34963 1
256 . 1 . 1 32 32 ASN ND2 N 15 118.450 0.000 . . . . . . A 48 ASN ND2 . 34963 1
257 . 1 . 1 33 33 GLU H H 1 8.421 0.000 . . . . . . A 49 GLU H . 34963 1
258 . 1 . 1 33 33 GLU HA H 1 3.973 0.000 . . . . . . A 49 GLU HA . 34963 1
259 . 1 . 1 33 33 GLU HB2 H 1 1.871 0.000 . . . . . . A 49 GLU HB2 . 34963 1
260 . 1 . 1 33 33 GLU HB3 H 1 2.099 0.000 . . . . . . A 49 GLU HB3 . 34963 1
261 . 1 . 1 33 33 GLU HG2 H 1 1.893 0.000 . . . . . . A 49 GLU HG2 . 34963 1
262 . 1 . 1 33 33 GLU HG3 H 1 2.039 0.000 . . . . . . A 49 GLU HG3 . 34963 1
263 . 1 . 1 33 33 GLU N N 15 118.400 0.000 . . . . . . A 49 GLU N . 34963 1
264 . 1 . 1 34 34 HIS H H 1 7.821 0.000 . . . . . . A 50 HIS H . 34963 1
265 . 1 . 1 34 34 HIS HA H 1 4.816 0.000 . . . . . . A 50 HIS HA . 34963 1
266 . 1 . 1 34 34 HIS HB2 H 1 3.044 0.000 . . . . . . A 50 HIS HB2 . 34963 1
267 . 1 . 1 34 34 HIS HB3 H 1 3.802 0.000 . . . . . . A 50 HIS HB3 . 34963 1
268 . 1 . 1 34 34 HIS HD2 H 1 7.285 0.000 . . . . . . A 50 HIS HD2 . 34963 1
269 . 1 . 1 34 34 HIS HE1 H 1 8.326 0.000 . . . . . . A 50 HIS HE1 . 34963 1
270 . 1 . 1 34 34 HIS N N 15 111.580 0.000 . . . . . . A 50 HIS N . 34963 1
271 . 1 . 1 35 35 THR H H 1 7.457 0.000 . . . . . . A 51 THR H . 34963 1
272 . 1 . 1 35 35 THR HA H 1 4.780 0.000 . . . . . . A 51 THR HA . 34963 1
273 . 1 . 1 35 35 THR HB H 1 4.760 0.000 . . . . . . A 51 THR HB . 34963 1
274 . 1 . 1 35 35 THR HG21 H 1 1.382 0.000 . . . . . . A 51 THR HG21 . 34963 1
275 . 1 . 1 35 35 THR HG22 H 1 1.382 0.000 . . . . . . A 51 THR HG22 . 34963 1
276 . 1 . 1 35 35 THR HG23 H 1 1.382 0.000 . . . . . . A 51 THR HG23 . 34963 1
277 . 1 . 1 35 35 THR N N 15 110.920 0.000 . . . . . . A 51 THR N . 34963 1
278 . 1 . 1 36 36 THR H H 1 9.468 0.000 . . . . . . A 52 THR H . 34963 1
279 . 1 . 1 36 36 THR HA H 1 4.442 0.000 . . . . . . A 52 THR HA . 34963 1
280 . 1 . 1 36 36 THR HB H 1 4.557 0.000 . . . . . . A 52 THR HB . 34963 1
281 . 1 . 1 36 36 THR HG21 H 1 1.518 0.000 . . . . . . A 52 THR HG21 . 34963 1
282 . 1 . 1 36 36 THR HG22 H 1 1.518 0.000 . . . . . . A 52 THR HG22 . 34963 1
283 . 1 . 1 36 36 THR HG23 H 1 1.518 0.000 . . . . . . A 52 THR HG23 . 34963 1
284 . 1 . 1 36 36 THR N N 15 112.490 0.000 . . . . . . A 52 THR N . 34963 1
285 . 1 . 1 37 37 LYS H H 1 8.511 0.000 . . . . . . A 53 LYS H . 34963 1
286 . 1 . 1 37 37 LYS HA H 1 3.699 0.000 . . . . . . A 53 LYS HA . 34963 1
287 . 1 . 1 37 37 LYS HB2 H 1 1.954 0.000 . . . . . . A 53 LYS HB2 . 34963 1
288 . 1 . 1 37 37 LYS HB3 H 1 2.147 0.000 . . . . . . A 53 LYS HB3 . 34963 1
289 . 1 . 1 37 37 LYS HG2 H 1 1.294 0.000 . . . . . . A 53 LYS HG2 . 34963 1
290 . 1 . 1 37 37 LYS HG3 H 1 1.532 0.000 . . . . . . A 53 LYS HG3 . 34963 1
291 . 1 . 1 37 37 LYS HD2 H 1 1.715 0.000 . 2 . . . . A 53 LYS HD2 . 34963 1
292 . 1 . 1 37 37 LYS HD3 H 1 1.715 0.000 . 2 . . . . A 53 LYS HD3 . 34963 1
293 . 1 . 1 37 37 LYS HE2 H 1 3.054 0.000 . 2 . . . . A 53 LYS HE2 . 34963 1
294 . 1 . 1 37 37 LYS HE3 H 1 3.054 0.000 . 2 . . . . A 53 LYS HE3 . 34963 1
295 . 1 . 1 37 37 LYS N N 15 117.030 0.000 . . . . . . A 53 LYS N . 34963 1
296 . 1 . 1 38 38 ASP H H 1 7.752 0.000 . . . . . . A 54 ASP H . 34963 1
297 . 1 . 1 38 38 ASP HA H 1 4.913 0.000 . . . . . . A 54 ASP HA . 34963 1
298 . 1 . 1 38 38 ASP HB2 H 1 2.600 0.000 . . . . . . A 54 ASP HB2 . 34963 1
299 . 1 . 1 38 38 ASP HB3 H 1 3.170 0.000 . . . . . . A 54 ASP HB3 . 34963 1
300 . 1 . 1 38 38 ASP N N 15 116.350 0.000 . . . . . . A 54 ASP N . 34963 1
301 . 1 . 1 39 39 GLY H H 1 9.228 0.000 . . . . . . A 55 GLY H . 34963 1
302 . 1 . 1 39 39 GLY HA2 H 1 3.710 0.000 . . . . . . A 55 GLY HA2 . 34963 1
303 . 1 . 1 39 39 GLY HA3 H 1 4.072 0.000 . . . . . . A 55 GLY HA3 . 34963 1
304 . 1 . 1 39 39 GLY N N 15 109.760 0.000 . . . . . . A 55 GLY N . 34963 1
305 . 1 . 1 40 40 SER H H 1 8.152 0.000 . . . . . . A 56 SER H . 34963 1
306 . 1 . 1 40 40 SER HA H 1 3.948 0.000 . . . . . . A 56 SER HA . 34963 1
307 . 1 . 1 40 40 SER HB2 H 1 3.454 0.000 . . . . . . A 56 SER HB2 . 34963 1
308 . 1 . 1 40 40 SER HB3 H 1 4.159 0.000 . . . . . . A 56 SER HB3 . 34963 1
309 . 1 . 1 40 40 SER N N 15 119.570 0.000 . . . . . . A 56 SER N . 34963 1
310 . 1 . 1 41 41 TRP H H 1 8.530 0.000 . . . . . . A 57 TRP H . 34963 1
311 . 1 . 1 41 41 TRP HA H 1 5.265 0.000 . . . . . . A 57 TRP HA . 34963 1
312 . 1 . 1 41 41 TRP HB2 H 1 3.121 0.000 . . . . . . A 57 TRP HB2 . 34963 1
313 . 1 . 1 41 41 TRP HB3 H 1 3.288 0.000 . . . . . . A 57 TRP HB3 . 34963 1
314 . 1 . 1 41 41 TRP HD1 H 1 7.851 0.000 . . . . . . A 57 TRP HD1 . 34963 1
315 . 1 . 1 41 41 TRP HE1 H 1 10.440 0.000 . . . . . . A 57 TRP HE1 . 34963 1
316 . 1 . 1 41 41 TRP HE3 H 1 7.595 0.000 . . . . . . A 57 TRP HE3 . 34963 1
317 . 1 . 1 41 41 TRP HZ2 H 1 7.036 0.000 . . . . . . A 57 TRP HZ2 . 34963 1
318 . 1 . 1 41 41 TRP HZ3 H 1 6.720 0.000 . . . . . . A 57 TRP HZ3 . 34963 1
319 . 1 . 1 41 41 TRP HH2 H 1 7.114 0.000 . . . . . . A 57 TRP HH2 . 34963 1
320 . 1 . 1 41 41 TRP N N 15 124.020 0.000 . . . . . . A 57 TRP N . 34963 1
321 . 1 . 1 41 41 TRP NE1 N 15 129.120 0.000 . . . . . . A 57 TRP NE1 . 34963 1
322 . 1 . 1 42 42 HIS H H 1 9.327 0.000 . . . . . . A 58 HIS H . 34963 1
323 . 1 . 1 42 42 HIS HA H 1 5.062 0.000 . . . . . . A 58 HIS HA . 34963 1
324 . 1 . 1 42 42 HIS HB2 H 1 3.112 0.000 . . . . . . A 58 HIS HB2 . 34963 1
325 . 1 . 1 42 42 HIS HB3 H 1 3.488 0.000 . . . . . . A 58 HIS HB3 . 34963 1
326 . 1 . 1 42 42 HIS HD2 H 1 7.512 0.000 . . . . . . A 58 HIS HD2 . 34963 1
327 . 1 . 1 42 42 HIS HE1 H 1 8.722 0.000 . . . . . . A 58 HIS HE1 . 34963 1
328 . 1 . 1 42 42 HIS N N 15 118.890 0.000 . . . . . . A 58 HIS N . 34963 1
329 . 1 . 1 43 43 TYR H H 1 9.395 0.000 . . . . . . A 59 TYR H . 34963 1
330 . 1 . 1 43 43 TYR HA H 1 5.119 0.000 . . . . . . A 59 TYR HA . 34963 1
331 . 1 . 1 43 43 TYR HB2 H 1 2.713 0.000 . . . . . . A 59 TYR HB2 . 34963 1
332 . 1 . 1 43 43 TYR HB3 H 1 3.214 0.000 . . . . . . A 59 TYR HB3 . 34963 1
333 . 1 . 1 43 43 TYR HD1 H 1 6.733 0.000 . 3 . . . . A 59 TYR HD1 . 34963 1
334 . 1 . 1 43 43 TYR HD2 H 1 6.733 0.000 . 3 . . . . A 59 TYR HD2 . 34963 1
335 . 1 . 1 43 43 TYR N N 15 126.410 0.000 . . . . . . A 59 TYR N . 34963 1
336 . 1 . 1 44 44 VAL H H 1 8.932 0.000 . . . . . . A 60 VAL H . 34963 1
337 . 1 . 1 44 44 VAL HA H 1 4.189 0.000 . . . . . . A 60 VAL HA . 34963 1
338 . 1 . 1 44 44 VAL HB H 1 2.081 0.000 . . . . . . A 60 VAL HB . 34963 1
339 . 1 . 1 44 44 VAL HG11 H 1 1.036 0.000 . . . . . . A 60 VAL HG11 . 34963 1
340 . 1 . 1 44 44 VAL HG12 H 1 1.036 0.000 . . . . . . A 60 VAL HG12 . 34963 1
341 . 1 . 1 44 44 VAL HG13 H 1 1.036 0.000 . . . . . . A 60 VAL HG13 . 34963 1
342 . 1 . 1 44 44 VAL HG21 H 1 0.968 0.000 . . . . . . A 60 VAL HG21 . 34963 1
343 . 1 . 1 44 44 VAL HG22 H 1 0.968 0.000 . . . . . . A 60 VAL HG22 . 34963 1
344 . 1 . 1 44 44 VAL HG23 H 1 0.968 0.000 . . . . . . A 60 VAL HG23 . 34963 1
345 . 1 . 1 44 44 VAL N N 15 132.150 0.000 . . . . . . A 60 VAL N . 34963 1
346 . 1 . 1 45 45 GLU H H 1 8.858 0.000 . . . . . . A 61 GLU H . 34963 1
347 . 1 . 1 45 45 GLU HA H 1 4.006 0.000 . . . . . . A 61 GLU HA . 34963 1
348 . 1 . 1 45 45 GLU HB2 H 1 2.133 0.000 . . . . . . A 61 GLU HB2 . 34963 1
349 . 1 . 1 45 45 GLU HB3 H 1 2.194 0.000 . . . . . . A 61 GLU HB3 . 34963 1
350 . 1 . 1 45 45 GLU HG2 H 1 2.490 0.000 . . . . . . A 61 GLU HG2 . 34963 1
351 . 1 . 1 45 45 GLU HG3 H 1 2.533 0.000 . . . . . . A 61 GLU HG3 . 34963 1
352 . 1 . 1 45 45 GLU N N 15 129.530 0.000 . . . . . . A 61 GLU N . 34963 1
353 . 1 . 1 46 46 VAL H H 1 8.438 0.000 . . . . . . A 62 VAL H . 34963 1
354 . 1 . 1 46 46 VAL HA H 1 3.851 0.000 . . . . . . A 62 VAL HA . 34963 1
355 . 1 . 1 46 46 VAL HB H 1 2.144 0.000 . . . . . . A 62 VAL HB . 34963 1
356 . 1 . 1 46 46 VAL HG11 H 1 0.995 0.000 . . . . . . A 62 VAL HG11 . 34963 1
357 . 1 . 1 46 46 VAL HG12 H 1 0.995 0.000 . . . . . . A 62 VAL HG12 . 34963 1
358 . 1 . 1 46 46 VAL HG13 H 1 0.995 0.000 . . . . . . A 62 VAL HG13 . 34963 1
359 . 1 . 1 46 46 VAL HG21 H 1 0.931 0.000 . . . . . . A 62 VAL HG21 . 34963 1
360 . 1 . 1 46 46 VAL HG22 H 1 0.931 0.000 . . . . . . A 62 VAL HG22 . 34963 1
361 . 1 . 1 46 46 VAL HG23 H 1 0.931 0.000 . . . . . . A 62 VAL HG23 . 34963 1
362 . 1 . 1 46 46 VAL N N 15 115.620 0.000 . . . . . . A 62 VAL N . 34963 1
363 . 1 . 1 47 47 ASP H H 1 6.388 0.000 . . . . . . A 63 ASP H . 34963 1
364 . 1 . 1 47 47 ASP HA H 1 4.698 0.000 . . . . . . A 63 ASP HA . 34963 1
365 . 1 . 1 47 47 ASP HB2 H 1 2.036 0.000 . . . . . . A 63 ASP HB2 . 34963 1
366 . 1 . 1 47 47 ASP HB3 H 1 2.637 0.000 . . . . . . A 63 ASP HB3 . 34963 1
367 . 1 . 1 47 47 ASP N N 15 116.230 0.000 . . . . . . A 63 ASP N . 34963 1
368 . 1 . 1 48 48 ASN H H 1 7.937 0.000 . . . . . . A 64 ASN H . 34963 1
369 . 1 . 1 48 48 ASN HA H 1 3.845 0.000 . . . . . . A 64 ASN HA . 34963 1
370 . 1 . 1 48 48 ASN HB2 H 1 2.815 0.000 . . . . . . A 64 ASN HB2 . 34963 1
371 . 1 . 1 48 48 ASN HB3 H 1 2.853 0.000 . . . . . . A 64 ASN HB3 . 34963 1
372 . 1 . 1 48 48 ASN HD21 H 1 7.907 0.000 . . . . . . A 64 ASN HD21 . 34963 1
373 . 1 . 1 48 48 ASN HD22 H 1 7.079 0.000 . . . . . . A 64 ASN HD22 . 34963 1
374 . 1 . 1 48 48 ASN N N 15 117.620 0.000 . . . . . . A 64 ASN N . 34963 1
375 . 1 . 1 48 48 ASN ND2 N 15 117.730 0.000 . . . . . . A 64 ASN ND2 . 34963 1
376 . 1 . 1 49 49 GLU H H 1 6.587 0.000 . . . . . . A 65 GLU H . 34963 1
377 . 1 . 1 49 49 GLU HA H 1 4.903 0.000 . . . . . . A 65 GLU HA . 34963 1
378 . 1 . 1 49 49 GLU HB2 H 1 1.436 0.000 . . . . . . A 65 GLU HB2 . 34963 1
379 . 1 . 1 49 49 GLU HB3 H 1 1.561 0.000 . . . . . . A 65 GLU HB3 . 34963 1
380 . 1 . 1 49 49 GLU HG2 H 1 1.935 0.000 . . . . . . A 65 GLU HG2 . 34963 1
381 . 1 . 1 49 49 GLU HG3 H 1 2.294 0.000 . . . . . . A 65 GLU HG3 . 34963 1
382 . 1 . 1 49 49 GLU N N 15 113.520 0.000 . . . . . . A 65 GLU N . 34963 1
383 . 1 . 1 50 50 CYS H H 1 9.262 0.000 . . . . . . A 66 CYS H . 34963 1
384 . 1 . 1 50 50 CYS HA H 1 5.149 0.000 . . . . . . A 66 CYS HA . 34963 1
385 . 1 . 1 50 50 CYS HB2 H 1 3.017 0.000 . . . . . . A 66 CYS HB2 . 34963 1
386 . 1 . 1 50 50 CYS HB3 H 1 4.334 0.000 . . . . . . A 66 CYS HB3 . 34963 1
387 . 1 . 1 50 50 CYS N N 15 122.600 0.000 . . . . . . A 66 CYS N . 34963 1
388 . 1 . 1 51 51 LYS H H 1 8.873 0.000 . . . . . . A 67 LYS H . 34963 1
389 . 1 . 1 51 51 LYS HA H 1 4.705 0.000 . . . . . . A 67 LYS HA . 34963 1
390 . 1 . 1 51 51 LYS HB2 H 1 1.073 0.000 . . . . . . A 67 LYS HB2 . 34963 1
391 . 1 . 1 51 51 LYS HB3 H 1 1.423 0.000 . . . . . . A 67 LYS HB3 . 34963 1
392 . 1 . 1 51 51 LYS HG2 H 1 1.248 0.000 . . . . . . A 67 LYS HG2 . 34963 1
393 . 1 . 1 51 51 LYS HG3 H 1 1.309 0.000 . . . . . . A 67 LYS HG3 . 34963 1
394 . 1 . 1 51 51 LYS HD2 H 1 1.539 0.000 . 2 . . . . A 67 LYS HD2 . 34963 1
395 . 1 . 1 51 51 LYS HD3 H 1 1.539 0.000 . 2 . . . . A 67 LYS HD3 . 34963 1
396 . 1 . 1 51 51 LYS HE2 H 1 2.809 0.000 . . . . . . A 67 LYS HE2 . 34963 1
397 . 1 . 1 51 51 LYS HE3 H 1 2.897 0.000 . . . . . . A 67 LYS HE3 . 34963 1
398 . 1 . 1 51 51 LYS N N 15 128.260 0.000 . . . . . . A 67 LYS N . 34963 1
399 . 1 . 1 52 52 TYR H H 1 8.904 0.000 . . . . . . A 68 TYR H . 34963 1
400 . 1 . 1 52 52 TYR HA H 1 4.534 0.000 . . . . . . A 68 TYR HA . 34963 1
401 . 1 . 1 52 52 TYR HB2 H 1 1.130 0.000 . . . . . . A 68 TYR HB2 . 34963 1
402 . 1 . 1 52 52 TYR HB3 H 1 2.164 0.000 . . . . . . A 68 TYR HB3 . 34963 1
403 . 1 . 1 52 52 TYR HD1 H 1 5.652 0.000 . 3 . . . . A 68 TYR HD1 . 34963 1
404 . 1 . 1 52 52 TYR HD2 H 1 5.652 0.000 . 3 . . . . A 68 TYR HD2 . 34963 1
405 . 1 . 1 52 52 TYR HE1 H 1 6.615 0.000 . 3 . . . . A 68 TYR HE1 . 34963 1
406 . 1 . 1 52 52 TYR HE2 H 1 6.615 0.000 . 3 . . . . A 68 TYR HE2 . 34963 1
407 . 1 . 1 52 52 TYR N N 15 120.890 0.000 . . . . . . A 68 TYR N . 34963 1
408 . 1 . 1 53 53 LEU H H 1 8.957 0.000 . . . . . . A 69 LEU H . 34963 1
409 . 1 . 1 53 53 LEU HA H 1 3.785 0.000 . . . . . . A 69 LEU HA . 34963 1
410 . 1 . 1 53 53 LEU HB2 H 1 1.190 0.000 . . . . . . A 69 LEU HB2 . 34963 1
411 . 1 . 1 53 53 LEU HB3 H 1 1.822 0.000 . . . . . . A 69 LEU HB3 . 34963 1
412 . 1 . 1 53 53 LEU HG H 1 0.277 0.000 . . . . . . A 69 LEU HG . 34963 1
413 . 1 . 1 53 53 LEU HD11 H 1 0.777 0.000 . . . . . . A 69 LEU HD11 . 34963 1
414 . 1 . 1 53 53 LEU HD12 H 1 0.777 0.000 . . . . . . A 69 LEU HD12 . 34963 1
415 . 1 . 1 53 53 LEU HD13 H 1 0.777 0.000 . . . . . . A 69 LEU HD13 . 34963 1
416 . 1 . 1 53 53 LEU HD21 H 1 0.633 0.000 . . . . . . A 69 LEU HD21 . 34963 1
417 . 1 . 1 53 53 LEU HD22 H 1 0.633 0.000 . . . . . . A 69 LEU HD22 . 34963 1
418 . 1 . 1 53 53 LEU HD23 H 1 0.633 0.000 . . . . . . A 69 LEU HD23 . 34963 1
419 . 1 . 1 53 53 LEU N N 15 124.990 0.000 . . . . . . A 69 LEU N . 34963 1
420 . 1 . 1 54 54 ALA H H 1 8.152 0.000 . . . . . . A 70 ALA H . 34963 1
421 . 1 . 1 54 54 ALA HA H 1 4.647 0.000 . . . . . . A 70 ALA HA . 34963 1
422 . 1 . 1 54 54 ALA HB1 H 1 1.427 0.000 . . . . . . A 70 ALA HB1 . 34963 1
423 . 1 . 1 54 54 ALA HB2 H 1 1.427 0.000 . . . . . . A 70 ALA HB2 . 34963 1
424 . 1 . 1 54 54 ALA HB3 H 1 1.427 0.000 . . . . . . A 70 ALA HB3 . 34963 1
425 . 1 . 1 54 54 ALA N N 15 125.970 0.000 . . . . . . A 70 ALA N . 34963 1
426 . 1 . 1 55 55 GLY H H 1 8.297 0.000 . . . . . . A 71 GLY H . 34963 1
427 . 1 . 1 55 55 GLY HA2 H 1 4.563 0.000 . . . . . . A 71 GLY HA2 . 34963 1
428 . 1 . 1 55 55 GLY HA3 H 1 4.030 0.000 . . . . . . A 71 GLY HA3 . 34963 1
429 . 1 . 1 55 55 GLY N N 15 106.980 0.000 . . . . . . A 71 GLY N . 34963 1
430 . 1 . 1 56 56 ASP H H 1 7.809 0.000 . . . . . . A 72 ASP H . 34963 1
431 . 1 . 1 56 56 ASP HA H 1 4.715 0.000 . . . . . . A 72 ASP HA . 34963 1
432 . 1 . 1 56 56 ASP HB2 H 1 2.492 0.000 . . . . . . A 72 ASP HB2 . 34963 1
433 . 1 . 1 56 56 ASP HB3 H 1 2.726 0.000 . . . . . . A 72 ASP HB3 . 34963 1
434 . 1 . 1 56 56 ASP N N 15 120.790 0.000 . . . . . . A 72 ASP N . 34963 1
435 . 1 . 1 57 57 ASN H H 1 8.606 0.000 . . . . . . A 73 ASN H . 34963 1
436 . 1 . 1 57 57 ASN HA H 1 3.566 0.000 . . . . . . A 73 ASN HA . 34963 1
437 . 1 . 1 57 57 ASN HB2 H 1 1.756 0.000 . . . . . . A 73 ASN HB2 . 34963 1
438 . 1 . 1 57 57 ASN HB3 H 1 2.622 0.000 . . . . . . A 73 ASN HB3 . 34963 1
439 . 1 . 1 57 57 ASN HD21 H 1 7.014 0.000 . . . . . . A 73 ASN HD21 . 34963 1
440 . 1 . 1 57 57 ASN HD22 H 1 6.393 0.000 . . . . . . A 73 ASN HD22 . 34963 1
441 . 1 . 1 57 57 ASN N N 15 118.700 0.000 . . . . . . A 73 ASN N . 34963 1
442 . 1 . 1 57 57 ASN ND2 N 15 110.710 0.000 . . . . . . A 73 ASN ND2 . 34963 1
443 . 1 . 1 58 58 PRO HA H 1 3.750 0.000 . . . . . . A 74 PRO HA . 34963 1
444 . 1 . 1 58 58 PRO HB2 H 1 1.898 0.000 . . . . . . A 74 PRO HB2 . 34963 1
445 . 1 . 1 58 58 PRO HB3 H 1 2.254 0.000 . . . . . . A 74 PRO HB3 . 34963 1
446 . 1 . 1 58 58 PRO HG2 H 1 1.525 0.000 . . . . . . A 74 PRO HG2 . 34963 1
447 . 1 . 1 58 58 PRO HG3 H 1 1.773 0.000 . . . . . . A 74 PRO HG3 . 34963 1
448 . 1 . 1 58 58 PRO HD2 H 1 3.441 0.000 . . . . . . A 74 PRO HD2 . 34963 1
449 . 1 . 1 58 58 PRO HD3 H 1 4.159 0.000 . . . . . . A 74 PRO HD3 . 34963 1
450 . 1 . 1 59 59 ARG H H 1 6.691 0.000 . . . . . . A 75 ARG H . 34963 1
451 . 1 . 1 59 59 ARG HA H 1 2.926 0.000 . . . . . . A 75 ARG HA . 34963 1
452 . 1 . 1 59 59 ARG HB2 H 1 0.947 0.000 . . . . . . A 75 ARG HB2 . 34963 1
453 . 1 . 1 59 59 ARG HB3 H 1 1.231 0.000 . . . . . . A 75 ARG HB3 . 34963 1
454 . 1 . 1 59 59 ARG HG2 H 1 -0.004 0.000 . . . . . . A 75 ARG HG2 . 34963 1
455 . 1 . 1 59 59 ARG HG3 H 1 0.509 0.000 . . . . . . A 75 ARG HG3 . 34963 1
456 . 1 . 1 59 59 ARG HD2 H 1 2.839 0.000 . . . . . . A 75 ARG HD2 . 34963 1
457 . 1 . 1 59 59 ARG HD3 H 1 2.872 0.000 . . . . . . A 75 ARG HD3 . 34963 1
458 . 1 . 1 59 59 ARG HE H 1 6.944 0.000 . . . . . . A 75 ARG HE . 34963 1
459 . 1 . 1 59 59 ARG N N 15 112.030 0.000 . . . . . . A 75 ARG N . 34963 1
460 . 1 . 1 59 59 ARG NE N 15 85.290 0.000 . . . . . . A 75 ARG NE . 34963 1
461 . 1 . 1 60 60 ASP H H 1 6.605 0.000 . . . . . . A 76 ASP H . 34963 1
462 . 1 . 1 60 60 ASP HA H 1 4.582 0.000 . . . . . . A 76 ASP HA . 34963 1
463 . 1 . 1 60 60 ASP HB2 H 1 2.349 0.000 . . . . . . A 76 ASP HB2 . 34963 1
464 . 1 . 1 60 60 ASP HB3 H 1 2.808 0.000 . . . . . . A 76 ASP HB3 . 34963 1
465 . 1 . 1 60 60 ASP N N 15 115.570 0.000 . . . . . . A 76 ASP N . 34963 1
466 . 1 . 1 61 61 GLN H H 1 7.390 0.000 . . . . . . A 77 GLN H . 34963 1
467 . 1 . 1 61 61 GLN HA H 1 4.745 0.000 . . . . . . A 77 GLN HA . 34963 1
468 . 1 . 1 61 61 GLN HB2 H 1 1.911 0.000 . . . . . . A 77 GLN HB2 . 34963 1
469 . 1 . 1 61 61 GLN HB3 H 1 2.130 0.000 . . . . . . A 77 GLN HB3 . 34963 1
470 . 1 . 1 61 61 GLN HG2 H 1 0.737 0.000 . . . . . . A 77 GLN HG2 . 34963 1
471 . 1 . 1 61 61 GLN HG3 H 1 1.948 0.000 . . . . . . A 77 GLN HG3 . 34963 1
472 . 1 . 1 61 61 GLN HE21 H 1 7.201 0.000 . . . . . . A 77 GLN HE21 . 34963 1
473 . 1 . 1 61 61 GLN HE22 H 1 6.789 0.000 . . . . . . A 77 GLN HE22 . 34963 1
474 . 1 . 1 61 61 GLN N N 15 117.280 0.000 . . . . . . A 77 GLN N . 34963 1
475 . 1 . 1 61 61 GLN NE2 N 15 113.520 0.000 . . . . . . A 77 GLN NE2 . 34963 1
476 . 1 . 1 62 62 PRO HA H 1 4.545 0.000 . . . . . . A 78 PRO HA . 34963 1
477 . 1 . 1 62 62 PRO HB2 H 1 2.175 0.000 . . . . . . A 78 PRO HB2 . 34963 1
478 . 1 . 1 62 62 PRO HB3 H 1 2.543 0.000 . . . . . . A 78 PRO HB3 . 34963 1
479 . 1 . 1 62 62 PRO HG2 H 1 2.196 0.000 . . . . . . A 78 PRO HG2 . 34963 1
480 . 1 . 1 62 62 PRO HG3 H 1 2.369 0.000 . . . . . . A 78 PRO HG3 . 34963 1
481 . 1 . 1 62 62 PRO HD2 H 1 3.938 0.000 . . . . . . A 78 PRO HD2 . 34963 1
482 . 1 . 1 62 62 PRO HD3 H 1 4.047 0.000 . . . . . . A 78 PRO HD3 . 34963 1
483 . 1 . 1 63 63 GLY H H 1 8.587 0.000 . . . . . . A 79 GLY H . 34963 1
484 . 1 . 1 63 63 GLY HA2 H 1 3.948 0.000 . . . . . . A 79 GLY HA2 . 34963 1
485 . 1 . 1 63 63 GLY HA3 H 1 4.010 0.000 . . . . . . A 79 GLY HA3 . 34963 1
486 . 1 . 1 63 63 GLY N N 15 103.410 0.000 . . . . . . A 79 GLY N . 34963 1
487 . 1 . 1 64 64 TRP H H 1 8.477 0.000 . . . . . . A 80 TRP H . 34963 1
488 . 1 . 1 64 64 TRP HA H 1 4.604 0.000 . . . . . . A 80 TRP HA . 34963 1
489 . 1 . 1 64 64 TRP HB2 H 1 4.282 0.000 . . . . . . A 80 TRP HB2 . 34963 1
490 . 1 . 1 64 64 TRP HB3 H 1 3.253 0.000 . . . . . . A 80 TRP HB3 . 34963 1
491 . 1 . 1 64 64 TRP HD1 H 1 7.236 0.000 . . . . . . A 80 TRP HD1 . 34963 1
492 . 1 . 1 64 64 TRP HE1 H 1 10.000 0.000 . . . . . . A 80 TRP HE1 . 34963 1
493 . 1 . 1 64 64 TRP HE3 H 1 7.286 0.000 . . . . . . A 80 TRP HE3 . 34963 1
494 . 1 . 1 64 64 TRP HZ2 H 1 7.268 0.000 . . . . . . A 80 TRP HZ2 . 34963 1
495 . 1 . 1 64 64 TRP HZ3 H 1 6.831 0.000 . . . . . . A 80 TRP HZ3 . 34963 1
496 . 1 . 1 64 64 TRP HH2 H 1 6.347 0.000 . . . . . . A 80 TRP HH2 . 34963 1
497 . 1 . 1 64 64 TRP N N 15 124.600 0.000 . . . . . . A 80 TRP N . 34963 1
498 . 1 . 1 64 64 TRP NE1 N 15 129.060 0.000 . . . . . . A 80 TRP NE1 . 34963 1
499 . 1 . 1 65 65 ALA H H 1 7.668 0.000 . . . . . . A 81 ALA H . 34963 1
500 . 1 . 1 65 65 ALA HA H 1 3.816 0.000 . . . . . . A 81 ALA HA . 34963 1
501 . 1 . 1 65 65 ALA HB1 H 1 1.485 0.000 . . . . . . A 81 ALA HB1 . 34963 1
502 . 1 . 1 65 65 ALA HB2 H 1 1.485 0.000 . . . . . . A 81 ALA HB2 . 34963 1
503 . 1 . 1 65 65 ALA HB3 H 1 1.485 0.000 . . . . . . A 81 ALA HB3 . 34963 1
504 . 1 . 1 65 65 ALA N N 15 115.810 0.000 . . . . . . A 81 ALA N . 34963 1
505 . 1 . 1 66 66 VAL H H 1 7.081 0.000 . . . . . . A 82 VAL H . 34963 1
506 . 1 . 1 66 66 VAL HA H 1 3.422 0.000 . . . . . . A 82 VAL HA . 34963 1
507 . 1 . 1 66 66 VAL HB H 1 2.265 0.000 . . . . . . A 82 VAL HB . 34963 1
508 . 1 . 1 66 66 VAL HG11 H 1 1.110 0.000 . . . . . . A 82 VAL HG11 . 34963 1
509 . 1 . 1 66 66 VAL HG12 H 1 1.110 0.000 . . . . . . A 82 VAL HG12 . 34963 1
510 . 1 . 1 66 66 VAL HG13 H 1 1.110 0.000 . . . . . . A 82 VAL HG13 . 34963 1
511 . 1 . 1 66 66 VAL HG21 H 1 0.997 0.000 . . . . . . A 82 VAL HG21 . 34963 1
512 . 1 . 1 66 66 VAL HG22 H 1 0.997 0.000 . . . . . . A 82 VAL HG22 . 34963 1
513 . 1 . 1 66 66 VAL HG23 H 1 0.997 0.000 . . . . . . A 82 VAL HG23 . 34963 1
514 . 1 . 1 66 66 VAL N N 15 119.870 0.000 . . . . . . A 82 VAL N . 34963 1
515 . 1 . 1 67 67 PHE H H 1 7.676 0.000 . . . . . . A 83 PHE H . 34963 1
516 . 1 . 1 67 67 PHE HA H 1 3.589 0.000 . . . . . . A 83 PHE HA . 34963 1
517 . 1 . 1 67 67 PHE HB2 H 1 2.788 0.000 . . . . . . A 83 PHE HB2 . 34963 1
518 . 1 . 1 67 67 PHE HB3 H 1 2.451 0.000 . . . . . . A 83 PHE HB3 . 34963 1
519 . 1 . 1 67 67 PHE HD1 H 1 7.268 0.000 . 3 . . . . A 83 PHE HD1 . 34963 1
520 . 1 . 1 67 67 PHE HD2 H 1 7.268 0.000 . 3 . . . . A 83 PHE HD2 . 34963 1
521 . 1 . 1 67 67 PHE HE1 H 1 6.861 0.000 . 3 . . . . A 83 PHE HE1 . 34963 1
522 . 1 . 1 67 67 PHE HE2 H 1 6.861 0.000 . 3 . . . . A 83 PHE HE2 . 34963 1
523 . 1 . 1 67 67 PHE HZ H 1 6.832 0.000 . . . . . . A 83 PHE HZ . 34963 1
524 . 1 . 1 67 67 PHE N N 15 123.870 0.000 . . . . . . A 83 PHE N . 34963 1
525 . 1 . 1 68 68 VAL H H 1 8.477 0.000 . . . . . . A 84 VAL H . 34963 1
526 . 1 . 1 68 68 VAL HA H 1 2.862 0.000 . . . . . . A 84 VAL HA . 34963 1
527 . 1 . 1 68 68 VAL HB H 1 1.654 0.000 . . . . . . A 84 VAL HB . 34963 1
528 . 1 . 1 68 68 VAL HG11 H 1 0.730 0.000 . . . . . . A 84 VAL HG11 . 34963 1
529 . 1 . 1 68 68 VAL HG12 H 1 0.730 0.000 . . . . . . A 84 VAL HG12 . 34963 1
530 . 1 . 1 68 68 VAL HG13 H 1 0.730 0.000 . . . . . . A 84 VAL HG13 . 34963 1
531 . 1 . 1 68 68 VAL HG21 H 1 0.006 0.000 . . . . . . A 84 VAL HG21 . 34963 1
532 . 1 . 1 68 68 VAL HG22 H 1 0.006 0.000 . . . . . . A 84 VAL HG22 . 34963 1
533 . 1 . 1 68 68 VAL HG23 H 1 0.006 0.000 . . . . . . A 84 VAL HG23 . 34963 1
534 . 1 . 1 68 68 VAL N N 15 118.110 0.000 . . . . . . A 84 VAL N . 34963 1
535 . 1 . 1 69 69 LYS H H 1 7.535 0.000 . . . . . . A 85 LYS H . 34963 1
536 . 1 . 1 69 69 LYS HA H 1 3.685 0.000 . . . . . . A 85 LYS HA . 34963 1
537 . 1 . 1 69 69 LYS HB2 H 1 1.641 0.000 . . . . . . A 85 LYS HB2 . 34963 1
538 . 1 . 1 69 69 LYS HB3 H 1 1.684 0.000 . . . . . . A 85 LYS HB3 . 34963 1
539 . 1 . 1 69 69 LYS HG2 H 1 1.069 0.000 . . . . . . A 85 LYS HG2 . 34963 1
540 . 1 . 1 69 69 LYS HG3 H 1 0.298 0.000 . . . . . . A 85 LYS HG3 . 34963 1
541 . 1 . 1 69 69 LYS HD2 H 1 1.050 0.000 . . . . . . A 85 LYS HD2 . 34963 1
542 . 1 . 1 69 69 LYS HD3 H 1 1.294 0.000 . . . . . . A 85 LYS HD3 . 34963 1
543 . 1 . 1 69 69 LYS HE2 H 1 2.370 0.000 . . . . . . A 85 LYS HE2 . 34963 1
544 . 1 . 1 69 69 LYS HE3 H 1 2.460 0.000 . . . . . . A 85 LYS HE3 . 34963 1
545 . 1 . 1 69 69 LYS N N 15 122.500 0.000 . . . . . . A 85 LYS N . 34963 1
546 . 1 . 1 70 70 TYR H H 1 8.069 0.000 . . . . . . A 86 TYR H . 34963 1
547 . 1 . 1 70 70 TYR HA H 1 4.220 0.000 . . . . . . A 86 TYR HA . 34963 1
548 . 1 . 1 70 70 TYR HB2 H 1 2.572 0.000 . . . . . . A 86 TYR HB2 . 34963 1
549 . 1 . 1 70 70 TYR HB3 H 1 2.865 0.000 . . . . . . A 86 TYR HB3 . 34963 1
550 . 1 . 1 70 70 TYR HD1 H 1 6.849 0.000 . 3 . . . . A 86 TYR HD1 . 34963 1
551 . 1 . 1 70 70 TYR HD2 H 1 6.849 0.000 . 3 . . . . A 86 TYR HD2 . 34963 1
552 . 1 . 1 70 70 TYR HE1 H 1 6.309 0.000 . 3 . . . . A 86 TYR HE1 . 34963 1
553 . 1 . 1 70 70 TYR HE2 H 1 6.309 0.000 . 3 . . . . A 86 TYR HE2 . 34963 1
554 . 1 . 1 70 70 TYR N N 15 116.590 0.000 . . . . . . A 86 TYR N . 34963 1
555 . 1 . 1 71 71 CYS H H 1 8.921 0.000 . . . . . . A 87 CYS H . 34963 1
556 . 1 . 1 71 71 CYS HA H 1 4.436 0.000 . . . . . . A 87 CYS HA . 34963 1
557 . 1 . 1 71 71 CYS HB2 H 1 2.358 0.000 . . . . . . A 87 CYS HB2 . 34963 1
558 . 1 . 1 71 71 CYS HB3 H 1 2.668 0.000 . . . . . . A 87 CYS HB3 . 34963 1
559 . 1 . 1 71 71 CYS N N 15 117.950 0.000 . . . . . . A 87 CYS N . 34963 1
560 . 1 . 1 72 72 THR H H 1 8.267 0.000 . . . . . . A 88 THR H . 34963 1
561 . 1 . 1 72 72 THR HA H 1 4.265 0.000 . . . . . . A 88 THR HA . 34963 1
562 . 1 . 1 72 72 THR HB H 1 4.226 0.000 . . . . . . A 88 THR HB . 34963 1
563 . 1 . 1 72 72 THR HG21 H 1 1.318 0.000 . . . . . . A 88 THR HG21 . 34963 1
564 . 1 . 1 72 72 THR HG22 H 1 1.318 0.000 . . . . . . A 88 THR HG22 . 34963 1
565 . 1 . 1 72 72 THR HG23 H 1 1.318 0.000 . . . . . . A 88 THR HG23 . 34963 1
566 . 1 . 1 72 72 THR N N 15 111.570 0.000 . . . . . . A 88 THR N . 34963 1
567 . 1 . 1 73 73 TYR H H 1 8.080 0.000 . . . . . . A 89 TYR H . 34963 1
568 . 1 . 1 73 73 TYR HA H 1 4.173 0.000 . . . . . . A 89 TYR HA . 34963 1
569 . 1 . 1 73 73 TYR HB2 H 1 3.132 0.000 . . . . . . A 89 TYR HB2 . 34963 1
570 . 1 . 1 73 73 TYR HB3 H 1 3.179 0.000 . . . . . . A 89 TYR HB3 . 34963 1
571 . 1 . 1 73 73 TYR HD1 H 1 6.520 0.000 . 3 . . . . A 89 TYR HD1 . 34963 1
572 . 1 . 1 73 73 TYR HD2 H 1 6.520 0.000 . 3 . . . . A 89 TYR HD2 . 34963 1
573 . 1 . 1 73 73 TYR HE1 H 1 6.560 0.000 . 3 . . . . A 89 TYR HE1 . 34963 1
574 . 1 . 1 73 73 TYR HE2 H 1 6.560 0.000 . 3 . . . . A 89 TYR HE2 . 34963 1
575 . 1 . 1 73 73 TYR N N 15 127.970 0.000 . . . . . . A 89 TYR N . 34963 1
576 . 1 . 1 74 74 TYR H H 1 7.314 0.000 . . . . . . A 90 TYR H . 34963 1
577 . 1 . 1 74 74 TYR HA H 1 4.346 0.000 . . . . . . A 90 TYR HA . 34963 1
578 . 1 . 1 74 74 TYR HB2 H 1 2.850 0.000 . . . . . . A 90 TYR HB2 . 34963 1
579 . 1 . 1 74 74 TYR HB3 H 1 3.659 0.000 . . . . . . A 90 TYR HB3 . 34963 1
580 . 1 . 1 74 74 TYR HD1 H 1 7.310 0.000 . 3 . . . . A 90 TYR HD1 . 34963 1
581 . 1 . 1 74 74 TYR HD2 H 1 7.310 0.000 . 3 . . . . A 90 TYR HD2 . 34963 1
582 . 1 . 1 74 74 TYR HE1 H 1 6.742 0.000 . 3 . . . . A 90 TYR HE1 . 34963 1
583 . 1 . 1 74 74 TYR HE2 H 1 6.742 0.000 . 3 . . . . A 90 TYR HE2 . 34963 1
584 . 1 . 1 74 74 TYR N N 15 117.030 0.000 . . . . . . A 90 TYR N . 34963 1
585 . 1 . 1 75 75 LYS H H 1 7.969 0.000 . . . . . . A 91 LYS H . 34963 1
586 . 1 . 1 75 75 LYS HA H 1 3.971 0.000 . . . . . . A 91 LYS HA . 34963 1
587 . 1 . 1 75 75 LYS HB2 H 1 2.130 0.000 . . . . . . A 91 LYS HB2 . 34963 1
588 . 1 . 1 75 75 LYS HB3 H 1 2.517 0.000 . . . . . . A 91 LYS HB3 . 34963 1
589 . 1 . 1 75 75 LYS HG2 H 1 1.318 0.000 . . . . . . A 91 LYS HG2 . 34963 1
590 . 1 . 1 75 75 LYS HG3 H 1 1.401 0.000 . . . . . . A 91 LYS HG3 . 34963 1
591 . 1 . 1 75 75 LYS HD2 H 1 1.708 0.000 . 2 . . . . A 91 LYS HD2 . 34963 1
592 . 1 . 1 75 75 LYS HD3 H 1 1.708 0.000 . 2 . . . . A 91 LYS HD3 . 34963 1
593 . 1 . 1 75 75 LYS HE2 H 1 3.005 0.000 . 2 . . . . A 91 LYS HE2 . 34963 1
594 . 1 . 1 75 75 LYS HE3 H 1 3.005 0.000 . 2 . . . . A 91 LYS HE3 . 34963 1
595 . 1 . 1 75 75 LYS N N 15 111.180 0.000 . . . . . . A 91 LYS N . 34963 1
596 . 1 . 1 76 76 GLY H H 1 8.141 0.000 . . . . . . A 92 GLY H . 34963 1
597 . 1 . 1 76 76 GLY HA2 H 1 3.072 0.000 . . . . . . A 92 GLY HA2 . 34963 1
598 . 1 . 1 76 76 GLY HA3 H 1 2.732 0.000 . . . . . . A 92 GLY HA3 . 34963 1
599 . 1 . 1 76 76 GLY N N 15 107.810 0.000 . . . . . . A 92 GLY N . 34963 1
600 . 1 . 1 77 77 VAL H H 1 8.639 0.000 . . . . . . A 93 VAL H . 34963 1
601 . 1 . 1 77 77 VAL HA H 1 4.480 0.000 . . . . . . A 93 VAL HA . 34963 1
602 . 1 . 1 77 77 VAL HB H 1 1.746 0.000 . . . . . . A 93 VAL HB . 34963 1
603 . 1 . 1 77 77 VAL HG11 H 1 0.917 0.000 . . . . . . A 93 VAL HG11 . 34963 1
604 . 1 . 1 77 77 VAL HG12 H 1 0.917 0.000 . . . . . . A 93 VAL HG12 . 34963 1
605 . 1 . 1 77 77 VAL HG13 H 1 0.917 0.000 . . . . . . A 93 VAL HG13 . 34963 1
606 . 1 . 1 77 77 VAL HG21 H 1 0.875 0.000 . . . . . . A 93 VAL HG21 . 34963 1
607 . 1 . 1 77 77 VAL HG22 H 1 0.875 0.000 . . . . . . A 93 VAL HG22 . 34963 1
608 . 1 . 1 77 77 VAL HG23 H 1 0.875 0.000 . . . . . . A 93 VAL HG23 . 34963 1
609 . 1 . 1 77 77 VAL N N 15 118.840 0.000 . . . . . . A 93 VAL N . 34963 1
610 . 1 . 1 78 78 PRO HA H 1 5.762 0.000 . . . . . . A 94 PRO HA . 34963 1
611 . 1 . 1 78 78 PRO HB2 H 1 1.833 0.000 . . . . . . A 94 PRO HB2 . 34963 1
612 . 1 . 1 78 78 PRO HB3 H 1 2.151 0.000 . . . . . . A 94 PRO HB3 . 34963 1
613 . 1 . 1 78 78 PRO HG2 H 1 1.902 0.000 . . . . . . A 94 PRO HG2 . 34963 1
614 . 1 . 1 78 78 PRO HG3 H 1 2.438 0.000 . . . . . . A 94 PRO HG3 . 34963 1
615 . 1 . 1 78 78 PRO HD2 H 1 3.614 0.000 . . . . . . A 94 PRO HD2 . 34963 1
616 . 1 . 1 78 78 PRO HD3 H 1 4.029 0.000 . . . . . . A 94 PRO HD3 . 34963 1
617 . 1 . 1 79 79 ASP H H 1 9.521 0.000 . . . . . . A 95 ASP H . 34963 1
618 . 1 . 1 79 79 ASP HA H 1 5.141 0.000 . . . . . . A 95 ASP HA . 34963 1
619 . 1 . 1 79 79 ASP HB2 H 1 2.501 0.000 . . . . . . A 95 ASP HB2 . 34963 1
620 . 1 . 1 79 79 ASP HB3 H 1 2.674 0.000 . . . . . . A 95 ASP HB3 . 34963 1
621 . 1 . 1 79 79 ASP N N 15 122.210 0.000 . . . . . . A 95 ASP N . 34963 1
622 . 1 . 1 80 80 ALA H H 1 8.145 0.000 . . . . . . A 96 ALA H . 34963 1
623 . 1 . 1 80 80 ALA HA H 1 4.784 0.000 . . . . . . A 96 ALA HA . 34963 1
624 . 1 . 1 80 80 ALA HB1 H 1 1.131 0.000 . . . . . . A 96 ALA HB1 . 34963 1
625 . 1 . 1 80 80 ALA HB2 H 1 1.131 0.000 . . . . . . A 96 ALA HB2 . 34963 1
626 . 1 . 1 80 80 ALA HB3 H 1 1.131 0.000 . . . . . . A 96 ALA HB3 . 34963 1
627 . 1 . 1 80 80 ALA N N 15 128.460 0.000 . . . . . . A 96 ALA N . 34963 1
stop_
save_