###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15817
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.3
_Assigned_chem_shift_list.Chem_shift_15N_err 0.3
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 15817 1
2 '2D 1H-13C HSQC' . . . 15817 1
3 '3D HNCACB' . . . 15817 1
4 '3D CBCA(CO)NH' . . . 15817 1
5 '3D HNCO' . . . 15817 1
6 '3D HCCH-TOCSY' . . . 15817 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 ASN HA H 1 4.760 0.02 . 1 . . . . 1 ASN HA . 15817 1
2 . 1 1 2 2 ASN HB2 H 1 2.760 0.02 . 2 . . . . 1 ASN HB2 . 15817 1
3 . 1 1 2 2 ASN HB3 H 1 2.690 0.02 . 2 . . . . 1 ASN HB3 . 15817 1
4 . 1 1 2 2 ASN C C 13 174.100 0.3 . 1 . . . . 1 ASN C . 15817 1
5 . 1 1 2 2 ASN CA C 13 53.000 0.3 . 1 . . . . 1 ASN CA . 15817 1
6 . 1 1 2 2 ASN CB C 13 39.100 0.3 . 1 . . . . 1 ASN CB . 15817 1
7 . 1 1 3 3 GLN H H 1 8.340 0.02 . 1 . . . . 2 GLN H . 15817 1
8 . 1 1 3 3 GLN HA H 1 4.330 0.02 . 1 . . . . 2 GLN HA . 15817 1
9 . 1 1 3 3 GLN C C 13 175.200 0.3 . 1 . . . . 2 GLN C . 15817 1
10 . 1 1 3 3 GLN CA C 13 55.900 0.3 . 1 . . . . 2 GLN CA . 15817 1
11 . 1 1 3 3 GLN CB C 13 30.300 0.3 . 1 . . . . 2 GLN CB . 15817 1
12 . 1 1 3 3 GLN CG C 13 34.000 0.3 . 1 . . . . 2 GLN CG . 15817 1
13 . 1 1 3 3 GLN N N 15 120.500 0.3 . 1 . . . . 2 GLN N . 15817 1
14 . 1 1 4 4 ALA H H 1 8.930 0.02 . 1 . . . . 3 ALA H . 15817 1
15 . 1 1 4 4 ALA HA H 1 4.510 0.02 . 1 . . . . 3 ALA HA . 15817 1
16 . 1 1 4 4 ALA HB1 H 1 1.320 0.02 . 1 . . . . 3 ALA HB1 . 15817 1
17 . 1 1 4 4 ALA HB2 H 1 1.320 0.02 . 1 . . . . 3 ALA HB2 . 15817 1
18 . 1 1 4 4 ALA HB3 H 1 1.320 0.02 . 1 . . . . 3 ALA HB3 . 15817 1
19 . 1 1 4 4 ALA C C 13 178.200 0.3 . 1 . . . . 3 ALA C . 15817 1
20 . 1 1 4 4 ALA CA C 13 52.000 0.3 . 1 . . . . 3 ALA CA . 15817 1
21 . 1 1 4 4 ALA CB C 13 20.000 0.3 . 1 . . . . 3 ALA CB . 15817 1
22 . 1 1 4 4 ALA N N 15 128.700 0.3 . 1 . . . . 3 ALA N . 15817 1
23 . 1 1 5 5 SER H H 1 9.130 0.02 . 1 . . . . 4 SER H . 15817 1
24 . 1 1 5 5 SER HA H 1 5.541 0.02 . 1 . . . . 4 SER HA . 15817 1
25 . 1 1 5 5 SER C C 13 171.490 0.3 . 1 . . . . 4 SER C . 15817 1
26 . 1 1 5 5 SER CA C 13 57.747 0.3 . 1 . . . . 4 SER CA . 15817 1
27 . 1 1 5 5 SER CB C 13 66.800 0.3 . 1 . . . . 4 SER CB . 15817 1
28 . 1 1 5 5 SER N N 15 119.000 0.3 . 1 . . . . 4 SER N . 15817 1
29 . 1 1 6 6 VAL H H 1 8.130 0.02 . 1 . . . . 5 VAL H . 15817 1
30 . 1 1 6 6 VAL HA H 1 4.210 0.02 . 1 . . . . 5 VAL HA . 15817 1
31 . 1 1 6 6 VAL HB H 1 1.820 0.02 . 1 . . . . 5 VAL HB . 15817 1
32 . 1 1 6 6 VAL HG11 H 1 0.810 0.02 . 2 . . . . 5 VAL HG11 . 15817 1
33 . 1 1 6 6 VAL HG12 H 1 0.810 0.02 . 2 . . . . 5 VAL HG12 . 15817 1
34 . 1 1 6 6 VAL HG13 H 1 0.810 0.02 . 2 . . . . 5 VAL HG13 . 15817 1
35 . 1 1 6 6 VAL HG21 H 1 0.770 0.02 . 2 . . . . 5 VAL HG21 . 15817 1
36 . 1 1 6 6 VAL HG22 H 1 0.770 0.02 . 2 . . . . 5 VAL HG22 . 15817 1
37 . 1 1 6 6 VAL HG23 H 1 0.770 0.02 . 2 . . . . 5 VAL HG23 . 15817 1
38 . 1 1 6 6 VAL C C 13 174.400 0.3 . 1 . . . . 5 VAL C . 15817 1
39 . 1 1 6 6 VAL CA C 13 63.200 0.3 . 1 . . . . 5 VAL CA . 15817 1
40 . 1 1 6 6 VAL CB C 13 32.000 0.3 . 1 . . . . 5 VAL CB . 15817 1
41 . 1 1 6 6 VAL CG1 C 13 23.000 0.3 . 2 . . . . 5 VAL CG1 . 15817 1
42 . 1 1 6 6 VAL CG2 C 13 23.200 0.3 . 2 . . . . 5 VAL CG2 . 15817 1
43 . 1 1 6 6 VAL N N 15 121.200 0.3 . 1 . . . . 5 VAL N . 15817 1
44 . 1 1 7 7 VAL H H 1 9.010 0.02 . 1 . . . . 6 VAL H . 15817 1
45 . 1 1 7 7 VAL HA H 1 4.540 0.02 . 1 . . . . 6 VAL HA . 15817 1
46 . 1 1 7 7 VAL HB H 1 1.483 0.02 . 1 . . . . 6 VAL HB . 15817 1
47 . 1 1 7 7 VAL C C 13 175.300 0.3 . 1 . . . . 6 VAL C . 15817 1
48 . 1 1 7 7 VAL CA C 13 59.900 0.3 . 1 . . . . 6 VAL CA . 15817 1
49 . 1 1 7 7 VAL CB C 13 35.831 0.3 . 1 . . . . 6 VAL CB . 15817 1
50 . 1 1 7 7 VAL CG1 C 13 22.500 0.3 . 2 . . . . 6 VAL CG1 . 15817 1
51 . 1 1 7 7 VAL CG2 C 13 20.500 0.3 . 2 . . . . 6 VAL CG2 . 15817 1
52 . 1 1 7 7 VAL N N 15 127.300 0.3 . 1 . . . . 6 VAL N . 15817 1
53 . 1 1 8 8 ALA H H 1 8.340 0.02 . 1 . . . . 7 ALA H . 15817 1
54 . 1 1 8 8 ALA HA H 1 4.460 0.02 . 1 . . . . 7 ALA HA . 15817 1
55 . 1 1 8 8 ALA HB1 H 1 1.650 0.02 . 1 . . . . 7 ALA HB1 . 15817 1
56 . 1 1 8 8 ALA HB2 H 1 1.650 0.02 . 1 . . . . 7 ALA HB2 . 15817 1
57 . 1 1 8 8 ALA HB3 H 1 1.650 0.02 . 1 . . . . 7 ALA HB3 . 15817 1
58 . 1 1 8 8 ALA C C 13 178.000 0.3 . 1 . . . . 7 ALA C . 15817 1
59 . 1 1 8 8 ALA CA C 13 53.000 0.3 . 1 . . . . 7 ALA CA . 15817 1
60 . 1 1 8 8 ALA CB C 13 19.400 0.3 . 1 . . . . 7 ALA CB . 15817 1
61 . 1 1 8 8 ALA N N 15 127.300 0.3 . 1 . . . . 7 ALA N . 15817 1
62 . 1 1 9 9 ASN H H 1 9.030 0.02 . 1 . . . . 8 ASN H . 15817 1
63 . 1 1 9 9 ASN HA H 1 4.710 0.02 . 1 . . . . 8 ASN HA . 15817 1
64 . 1 1 9 9 ASN HB2 H 1 2.020 0.02 . 2 . . . . 8 ASN HB2 . 15817 1
65 . 1 1 9 9 ASN HB3 H 1 2.700 0.02 . 2 . . . . 8 ASN HB3 . 15817 1
66 . 1 1 9 9 ASN C C 13 173.100 0.3 . 1 . . . . 8 ASN C . 15817 1
67 . 1 1 9 9 ASN CA C 13 52.200 0.3 . 1 . . . . 8 ASN CA . 15817 1
68 . 1 1 9 9 ASN CB C 13 40.800 0.3 . 1 . . . . 8 ASN CB . 15817 1
69 . 1 1 9 9 ASN N N 15 124.400 0.3 . 1 . . . . 8 ASN N . 15817 1
70 . 1 1 10 10 GLN H H 1 7.790 0.02 . 1 . . . . 9 GLN H . 15817 1
71 . 1 1 10 10 GLN HA H 1 4.400 0.02 . 1 . . . . 9 GLN HA . 15817 1
72 . 1 1 10 10 GLN C C 13 172.800 0.3 . 1 . . . . 9 GLN C . 15817 1
73 . 1 1 10 10 GLN CA C 13 53.300 0.3 . 1 . . . . 9 GLN CA . 15817 1
74 . 1 1 10 10 GLN CB C 13 32.900 0.3 . 1 . . . . 9 GLN CB . 15817 1
75 . 1 1 10 10 GLN CG C 13 32.900 0.3 . 1 . . . . 9 GLN CG . 15817 1
76 . 1 1 10 10 GLN N N 15 111.800 0.3 . 1 . . . . 9 GLN N . 15817 1
77 . 1 1 11 11 LEU H H 1 8.330 0.02 . 1 . . . . 10 LEU H . 15817 1
78 . 1 1 11 11 LEU HA H 1 4.700 0.02 . 1 . . . . 10 LEU HA . 15817 1
79 . 1 1 11 11 LEU HG H 1 1.290 0.02 . 1 . . . . 10 LEU HG . 15817 1
80 . 1 1 11 11 LEU C C 13 177.200 0.3 . 1 . . . . 10 LEU C . 15817 1
81 . 1 1 11 11 LEU CA C 13 56.200 0.3 . 1 . . . . 10 LEU CA . 15817 1
82 . 1 1 11 11 LEU CB C 13 41.000 0.3 . 1 . . . . 10 LEU CB . 15817 1
83 . 1 1 11 11 LEU CD1 C 13 23.600 0.3 . 2 . . . . 10 LEU CD1 . 15817 1
84 . 1 1 11 11 LEU CD2 C 13 25.200 0.3 . 2 . . . . 10 LEU CD2 . 15817 1
85 . 1 1 11 11 LEU CG C 13 28.107 0.3 . 1 . . . . 10 LEU CG . 15817 1
86 . 1 1 11 11 LEU N N 15 120.100 0.3 . 1 . . . . 10 LEU N . 15817 1
87 . 1 1 12 12 ILE H H 1 9.240 0.02 . 1 . . . . 11 ILE H . 15817 1
88 . 1 1 12 12 ILE HA H 1 4.580 0.02 . 1 . . . . 11 ILE HA . 15817 1
89 . 1 1 12 12 ILE HB H 1 1.990 0.02 . 1 . . . . 11 ILE HB . 15817 1
90 . 1 1 12 12 ILE HD11 H 1 0.910 0.02 . 1 . . . . 11 ILE HD11 . 15817 1
91 . 1 1 12 12 ILE HD12 H 1 0.910 0.02 . 1 . . . . 11 ILE HD12 . 15817 1
92 . 1 1 12 12 ILE HD13 H 1 0.910 0.02 . 1 . . . . 11 ILE HD13 . 15817 1
93 . 1 1 12 12 ILE HG21 H 1 1.050 0.02 . 1 . . . . 11 ILE HG21 . 15817 1
94 . 1 1 12 12 ILE HG22 H 1 1.050 0.02 . 1 . . . . 11 ILE HG22 . 15817 1
95 . 1 1 12 12 ILE HG23 H 1 1.050 0.02 . 1 . . . . 11 ILE HG23 . 15817 1
96 . 1 1 12 12 ILE CA C 13 59.100 0.3 . 1 . . . . 11 ILE CA . 15817 1
97 . 1 1 12 12 ILE CB C 13 39.800 0.3 . 1 . . . . 11 ILE CB . 15817 1
98 . 1 1 12 12 ILE CD1 C 13 13.900 0.3 . 1 . . . . 11 ILE CD1 . 15817 1
99 . 1 1 12 12 ILE CG1 C 13 26.400 0.3 . 1 . . . . 11 ILE CG1 . 15817 1
100 . 1 1 12 12 ILE CG2 C 13 19.200 0.3 . 1 . . . . 11 ILE CG2 . 15817 1
101 . 1 1 12 12 ILE N N 15 133.000 0.3 . 1 . . . . 11 ILE N . 15817 1
102 . 1 1 13 13 PRO HA H 1 4.390 0.02 . 1 . . . . 12 PRO HA . 15817 1
103 . 1 1 13 13 PRO C C 13 176.700 0.3 . 1 . . . . 12 PRO C . 15817 1
104 . 1 1 13 13 PRO CA C 13 61.900 0.3 . 1 . . . . 12 PRO CA . 15817 1
105 . 1 1 13 13 PRO CB C 13 32.500 0.3 . 1 . . . . 12 PRO CB . 15817 1
106 . 1 1 13 13 PRO CD C 13 51.000 0.3 . 1 . . . . 12 PRO CD . 15817 1
107 . 1 1 13 13 PRO CG C 13 27.400 0.3 . 1 . . . . 12 PRO CG . 15817 1
108 . 1 1 14 14 ILE H H 1 8.320 0.02 . 1 . . . . 13 ILE H . 15817 1
109 . 1 1 14 14 ILE HA H 1 3.341 0.02 . 1 . . . . 13 ILE HA . 15817 1
110 . 1 1 14 14 ILE HB H 1 1.623 0.02 . 1 . . . . 13 ILE HB . 15817 1
111 . 1 1 14 14 ILE HD11 H 1 0.934 0.02 . 1 . . . . 13 ILE HD11 . 15817 1
112 . 1 1 14 14 ILE HD12 H 1 0.934 0.02 . 1 . . . . 13 ILE HD12 . 15817 1
113 . 1 1 14 14 ILE HD13 H 1 0.934 0.02 . 1 . . . . 13 ILE HD13 . 15817 1
114 . 1 1 14 14 ILE HG12 H 1 1.130 0.02 . 2 . . . . 13 ILE HG12 . 15817 1
115 . 1 1 14 14 ILE HG13 H 1 0.920 0.02 . 2 . . . . 13 ILE HG13 . 15817 1
116 . 1 1 14 14 ILE HG21 H 1 0.856 0.02 . 1 . . . . 13 ILE HG21 . 15817 1
117 . 1 1 14 14 ILE HG22 H 1 0.856 0.02 . 1 . . . . 13 ILE HG22 . 15817 1
118 . 1 1 14 14 ILE HG23 H 1 0.856 0.02 . 1 . . . . 13 ILE HG23 . 15817 1
119 . 1 1 14 14 ILE C C 13 173.600 0.3 . 1 . . . . 13 ILE C . 15817 1
120 . 1 1 14 14 ILE CA C 13 63.817 0.3 . 1 . . . . 13 ILE CA . 15817 1
121 . 1 1 14 14 ILE CB C 13 38.857 0.3 . 1 . . . . 13 ILE CB . 15817 1
122 . 1 1 14 14 ILE CD1 C 13 14.685 0.3 . 1 . . . . 13 ILE CD1 . 15817 1
123 . 1 1 14 14 ILE CG1 C 13 29.200 0.3 . 1 . . . . 13 ILE CG1 . 15817 1
124 . 1 1 14 14 ILE CG2 C 13 15.300 0.3 . 1 . . . . 13 ILE CG2 . 15817 1
125 . 1 1 14 14 ILE N N 15 121.200 0.3 . 1 . . . . 13 ILE N . 15817 1
126 . 1 1 15 15 ASN H H 1 7.350 0.02 . 1 . . . . 14 ASN H . 15817 1
127 . 1 1 15 15 ASN HA H 1 4.570 0.02 . 1 . . . . 14 ASN HA . 15817 1
128 . 1 1 15 15 ASN HB2 H 1 3.000 0.02 . 2 . . . . 14 ASN HB2 . 15817 1
129 . 1 1 15 15 ASN HB3 H 1 3.090 0.02 . 2 . . . . 14 ASN HB3 . 15817 1
130 . 1 1 15 15 ASN C C 13 174.100 0.3 . 1 . . . . 14 ASN C . 15817 1
131 . 1 1 15 15 ASN CA C 13 55.306 0.3 . 1 . . . . 14 ASN CA . 15817 1
132 . 1 1 15 15 ASN CB C 13 37.100 0.3 . 1 . . . . 14 ASN CB . 15817 1
133 . 1 1 15 15 ASN N N 15 116.900 0.3 . 1 . . . . 14 ASN N . 15817 1
134 . 1 1 16 16 THR H H 1 7.410 0.02 . 1 . . . . 15 THR H . 15817 1
135 . 1 1 16 16 THR HA H 1 4.010 0.02 . 1 . . . . 15 THR HA . 15817 1
136 . 1 1 16 16 THR HB H 1 3.920 0.02 . 1 . . . . 15 THR HB . 15817 1
137 . 1 1 16 16 THR HG21 H 1 1.190 0.02 . 1 . . . . 15 THR HG21 . 15817 1
138 . 1 1 16 16 THR HG22 H 1 1.190 0.02 . 1 . . . . 15 THR HG22 . 15817 1
139 . 1 1 16 16 THR HG23 H 1 1.190 0.02 . 1 . . . . 15 THR HG23 . 15817 1
140 . 1 1 16 16 THR C C 13 173.000 0.3 . 1 . . . . 15 THR C . 15817 1
141 . 1 1 16 16 THR CA C 13 64.400 0.3 . 1 . . . . 15 THR CA . 15817 1
142 . 1 1 16 16 THR CB C 13 69.600 0.3 . 1 . . . . 15 THR CB . 15817 1
143 . 1 1 16 16 THR CG2 C 13 21.957 0.3 . 1 . . . . 15 THR CG2 . 15817 1
144 . 1 1 16 16 THR N N 15 116.800 0.3 . 1 . . . . 15 THR N . 15817 1
145 . 1 1 17 17 ALA H H 1 8.410 0.02 . 1 . . . . 16 ALA H . 15817 1
146 . 1 1 17 17 ALA HA H 1 4.280 0.02 . 1 . . . . 16 ALA HA . 15817 1
147 . 1 1 17 17 ALA HB1 H 1 1.240 0.02 . 1 . . . . 16 ALA HB1 . 15817 1
148 . 1 1 17 17 ALA HB2 H 1 1.240 0.02 . 1 . . . . 16 ALA HB2 . 15817 1
149 . 1 1 17 17 ALA HB3 H 1 1.240 0.02 . 1 . . . . 16 ALA HB3 . 15817 1
150 . 1 1 17 17 ALA C C 13 176.700 0.3 . 1 . . . . 16 ALA C . 15817 1
151 . 1 1 17 17 ALA CA C 13 50.800 0.3 . 1 . . . . 16 ALA CA . 15817 1
152 . 1 1 17 17 ALA CB C 13 18.800 0.3 . 1 . . . . 16 ALA CB . 15817 1
153 . 1 1 17 17 ALA N N 15 128.000 0.3 . 1 . . . . 16 ALA N . 15817 1
154 . 1 1 18 18 LEU H H 1 9.070 0.02 . 1 . . . . 17 LEU H . 15817 1
155 . 1 1 18 18 LEU HA H 1 4.550 0.02 . 1 . . . . 17 LEU HA . 15817 1
156 . 1 1 18 18 LEU HB2 H 1 1.020 0.02 . 2 . . . . 17 LEU HB2 . 15817 1
157 . 1 1 18 18 LEU HB3 H 1 2.250 0.02 . 2 . . . . 17 LEU HB3 . 15817 1
158 . 1 1 18 18 LEU HG H 1 1.930 0.02 . 1 . . . . 17 LEU HG . 15817 1
159 . 1 1 18 18 LEU C C 13 178.900 0.3 . 1 . . . . 17 LEU C . 15817 1
160 . 1 1 18 18 LEU CA C 13 56.000 0.3 . 1 . . . . 17 LEU CA . 15817 1
161 . 1 1 18 18 LEU CB C 13 42.800 0.3 . 1 . . . . 17 LEU CB . 15817 1
162 . 1 1 18 18 LEU CD1 C 13 25.800 0.3 . 1 . . . . 17 LEU CD1 . 15817 1
163 . 1 1 18 18 LEU CD2 C 13 25.800 0.3 . 1 . . . . 17 LEU CD2 . 15817 1
164 . 1 1 18 18 LEU CG C 13 27.800 0.3 . 1 . . . . 17 LEU CG . 15817 1
165 . 1 1 18 18 LEU N N 15 124.800 0.3 . 1 . . . . 17 LEU N . 15817 1
166 . 1 1 19 19 THR H H 1 7.920 0.02 . 1 . . . . 18 THR H . 15817 1
167 . 1 1 19 19 THR HA H 1 4.700 0.02 . 1 . . . . 18 THR HA . 15817 1
168 . 1 1 19 19 THR HB H 1 4.540 0.02 . 1 . . . . 18 THR HB . 15817 1
169 . 1 1 19 19 THR HG21 H 1 1.263 0.02 . 1 . . . . 18 THR HG21 . 15817 1
170 . 1 1 19 19 THR HG22 H 1 1.263 0.02 . 1 . . . . 18 THR HG22 . 15817 1
171 . 1 1 19 19 THR HG23 H 1 1.263 0.02 . 1 . . . . 18 THR HG23 . 15817 1
172 . 1 1 19 19 THR C C 13 175.400 0.3 . 1 . . . . 18 THR C . 15817 1
173 . 1 1 19 19 THR CA C 13 59.166 0.3 . 1 . . . . 18 THR CA . 15817 1
174 . 1 1 19 19 THR CB C 13 71.300 0.3 . 1 . . . . 18 THR CB . 15817 1
175 . 1 1 19 19 THR CG2 C 13 21.756 0.3 . 1 . . . . 18 THR CG2 . 15817 1
176 . 1 1 19 19 THR N N 15 113.100 0.3 . 1 . . . . 18 THR N . 15817 1
177 . 1 1 20 20 LEU H H 1 8.830 0.02 . 1 . . . . 19 LEU H . 15817 1
178 . 1 1 20 20 LEU HA H 1 3.830 0.02 . 1 . . . . 19 LEU HA . 15817 1
179 . 1 1 20 20 LEU HB2 H 1 1.730 0.02 . 2 . . . . 19 LEU HB2 . 15817 1
180 . 1 1 20 20 LEU HB3 H 1 1.560 0.02 . 2 . . . . 19 LEU HB3 . 15817 1
181 . 1 1 20 20 LEU HD11 H 1 0.920 0.02 . 2 . . . . 19 LEU HD11 . 15817 1
182 . 1 1 20 20 LEU HD12 H 1 0.920 0.02 . 2 . . . . 19 LEU HD12 . 15817 1
183 . 1 1 20 20 LEU HD13 H 1 0.920 0.02 . 2 . . . . 19 LEU HD13 . 15817 1
184 . 1 1 20 20 LEU HD21 H 1 0.779 0.02 . 2 . . . . 19 LEU HD21 . 15817 1
185 . 1 1 20 20 LEU HD22 H 1 0.779 0.02 . 2 . . . . 19 LEU HD22 . 15817 1
186 . 1 1 20 20 LEU HD23 H 1 0.779 0.02 . 2 . . . . 19 LEU HD23 . 15817 1
187 . 1 1 20 20 LEU HG H 1 1.680 0.02 . 1 . . . . 19 LEU HG . 15817 1
188 . 1 1 20 20 LEU C C 13 179.700 0.3 . 1 . . . . 19 LEU C . 15817 1
189 . 1 1 20 20 LEU CA C 13 58.800 0.3 . 1 . . . . 19 LEU CA . 15817 1
190 . 1 1 20 20 LEU CB C 13 42.100 0.3 . 1 . . . . 19 LEU CB . 15817 1
191 . 1 1 20 20 LEU CD1 C 13 25.100 0.3 . 2 . . . . 19 LEU CD1 . 15817 1
192 . 1 1 20 20 LEU CD2 C 13 23.800 0.3 . 2 . . . . 19 LEU CD2 . 15817 1
193 . 1 1 20 20 LEU CG C 13 26.800 0.3 . 1 . . . . 19 LEU CG . 15817 1
194 . 1 1 20 20 LEU N N 15 120.200 0.3 . 1 . . . . 19 LEU N . 15817 1
195 . 1 1 21 21 VAL H H 1 7.440 0.02 . 1 . . . . 20 VAL H . 15817 1
196 . 1 1 21 21 VAL HA H 1 4.130 0.02 . 1 . . . . 20 VAL HA . 15817 1
197 . 1 1 21 21 VAL HB H 1 2.230 0.02 . 1 . . . . 20 VAL HB . 15817 1
198 . 1 1 21 21 VAL C C 13 176.900 0.3 . 1 . . . . 20 VAL C . 15817 1
199 . 1 1 21 21 VAL CA C 13 63.500 0.3 . 1 . . . . 20 VAL CA . 15817 1
200 . 1 1 21 21 VAL CB C 13 31.400 0.3 . 1 . . . . 20 VAL CB . 15817 1
201 . 1 1 21 21 VAL CG1 C 13 20.400 0.3 . 1 . . . . 20 VAL CG1 . 15817 1
202 . 1 1 21 21 VAL CG2 C 13 20.400 0.3 . 1 . . . . 20 VAL CG2 . 15817 1
203 . 1 1 21 21 VAL N N 15 110.500 0.3 . 1 . . . . 20 VAL N . 15817 1
204 . 1 1 22 22 MET H H 1 7.560 0.02 . 1 . . . . 21 MET H . 15817 1
205 . 1 1 22 22 MET HA H 1 3.990 0.02 . 1 . . . . 21 MET HA . 15817 1
206 . 1 1 22 22 MET HB2 H 1 2.840 0.02 . 2 . . . . 21 MET HB2 . 15817 1
207 . 1 1 22 22 MET HB3 H 1 2.430 0.02 . 2 . . . . 21 MET HB3 . 15817 1
208 . 1 1 22 22 MET C C 13 175.600 0.3 . 1 . . . . 21 MET C . 15817 1
209 . 1 1 22 22 MET CA C 13 58.000 0.3 . 1 . . . . 21 MET CA . 15817 1
210 . 1 1 22 22 MET CB C 13 33.300 0.3 . 1 . . . . 21 MET CB . 15817 1
211 . 1 1 22 22 MET N N 15 117.000 0.3 . 1 . . . . 21 MET N . 15817 1
212 . 1 1 23 23 MET H H 1 7.640 0.02 . 1 . . . . 22 MET H . 15817 1
213 . 1 1 23 23 MET HA H 1 4.880 0.02 . 1 . . . . 22 MET HA . 15817 1
214 . 1 1 23 23 MET HB2 H 1 1.710 0.02 . 2 . . . . 22 MET HB2 . 15817 1
215 . 1 1 23 23 MET HB3 H 1 2.050 0.02 . 2 . . . . 22 MET HB3 . 15817 1
216 . 1 1 23 23 MET C C 13 173.700 0.3 . 1 . . . . 22 MET C . 15817 1
217 . 1 1 23 23 MET CA C 13 55.346 0.3 . 1 . . . . 22 MET CA . 15817 1
218 . 1 1 23 23 MET CB C 13 38.483 0.3 . 1 . . . . 22 MET CB . 15817 1
219 . 1 1 23 23 MET CG C 13 31.800 0.3 . 1 . . . . 22 MET CG . 15817 1
220 . 1 1 23 23 MET N N 15 117.500 0.3 . 1 . . . . 22 MET N . 15817 1
221 . 1 1 24 24 ARG H H 1 9.050 0.02 . 1 . . . . 23 ARG H . 15817 1
222 . 1 1 24 24 ARG HA H 1 4.840 0.02 . 1 . . . . 23 ARG HA . 15817 1
223 . 1 1 24 24 ARG C C 13 173.100 0.3 . 1 . . . . 23 ARG C . 15817 1
224 . 1 1 24 24 ARG CA C 13 53.900 0.3 . 1 . . . . 23 ARG CA . 15817 1
225 . 1 1 24 24 ARG CB C 13 33.300 0.3 . 1 . . . . 23 ARG CB . 15817 1
226 . 1 1 24 24 ARG CD C 13 43.500 0.3 . 1 . . . . 23 ARG CD . 15817 1
227 . 1 1 24 24 ARG CG C 13 27.200 0.3 . 1 . . . . 23 ARG CG . 15817 1
228 . 1 1 24 24 ARG N N 15 119.700 0.3 . 1 . . . . 23 ARG N . 15817 1
229 . 1 1 25 25 SER H H 1 8.260 0.02 . 1 . . . . 24 SER H . 15817 1
230 . 1 1 25 25 SER HA H 1 5.250 0.02 . 1 . . . . 24 SER HA . 15817 1
231 . 1 1 25 25 SER HB2 H 1 3.597 0.02 . 2 . . . . 24 SER HB2 . 15817 1
232 . 1 1 25 25 SER HB3 H 1 3.526 0.02 . 2 . . . . 24 SER HB3 . 15817 1
233 . 1 1 25 25 SER C C 13 174.800 0.3 . 1 . . . . 24 SER C . 15817 1
234 . 1 1 25 25 SER CA C 13 56.000 0.3 . 1 . . . . 24 SER CA . 15817 1
235 . 1 1 25 25 SER CB C 13 64.500 0.3 . 1 . . . . 24 SER CB . 15817 1
236 . 1 1 25 25 SER N N 15 114.500 0.3 . 1 . . . . 24 SER N . 15817 1
237 . 1 1 26 26 GLU H H 1 8.960 0.02 . 1 . . . . 25 GLU H . 15817 1
238 . 1 1 26 26 GLU HA H 1 4.600 0.02 . 1 . . . . 25 GLU HA . 15817 1
239 . 1 1 26 26 GLU HB2 H 1 1.880 0.02 . 2 . . . . 25 GLU HB2 . 15817 1
240 . 1 1 26 26 GLU HB3 H 1 1.770 0.02 . 2 . . . . 25 GLU HB3 . 15817 1
241 . 1 1 26 26 GLU C C 13 174.900 0.3 . 1 . . . . 25 GLU C . 15817 1
242 . 1 1 26 26 GLU CA C 13 55.600 0.3 . 1 . . . . 25 GLU CA . 15817 1
243 . 1 1 26 26 GLU CB C 13 35.000 0.3 . 1 . . . . 25 GLU CB . 15817 1
244 . 1 1 26 26 GLU CG C 13 36.400 0.3 . 1 . . . . 25 GLU CG . 15817 1
245 . 1 1 26 26 GLU N N 15 124.500 0.3 . 1 . . . . 25 GLU N . 15817 1
246 . 1 1 27 27 VAL H H 1 9.040 0.02 . 1 . . . . 26 VAL H . 15817 1
247 . 1 1 27 27 VAL HA H 1 4.100 0.02 . 1 . . . . 26 VAL HA . 15817 1
248 . 1 1 27 27 VAL HB H 1 2.060 0.02 . 1 . . . . 26 VAL HB . 15817 1
249 . 1 1 27 27 VAL HG11 H 1 0.800 0.02 . 2 . . . . 26 VAL HG11 . 15817 1
250 . 1 1 27 27 VAL HG12 H 1 0.800 0.02 . 2 . . . . 26 VAL HG12 . 15817 1
251 . 1 1 27 27 VAL HG13 H 1 0.800 0.02 . 2 . . . . 26 VAL HG13 . 15817 1
252 . 1 1 27 27 VAL HG21 H 1 0.640 0.02 . 2 . . . . 26 VAL HG21 . 15817 1
253 . 1 1 27 27 VAL HG22 H 1 0.640 0.02 . 2 . . . . 26 VAL HG22 . 15817 1
254 . 1 1 27 27 VAL HG23 H 1 0.640 0.02 . 2 . . . . 26 VAL HG23 . 15817 1
255 . 1 1 27 27 VAL C C 13 174.700 0.3 . 1 . . . . 26 VAL C . 15817 1
256 . 1 1 27 27 VAL CA C 13 64.200 0.3 . 1 . . . . 26 VAL CA . 15817 1
257 . 1 1 27 27 VAL CB C 13 30.100 0.3 . 1 . . . . 26 VAL CB . 15817 1
258 . 1 1 27 27 VAL CG1 C 13 21.300 0.3 . 2 . . . . 26 VAL CG1 . 15817 1
259 . 1 1 27 27 VAL CG2 C 13 20.800 0.3 . 2 . . . . 26 VAL CG2 . 15817 1
260 . 1 1 27 27 VAL N N 15 126.100 0.3 . 1 . . . . 26 VAL N . 15817 1
261 . 1 1 28 28 VAL H H 1 8.180 0.02 . 1 . . . . 27 VAL H . 15817 1
262 . 1 1 28 28 VAL HA H 1 4.680 0.02 . 1 . . . . 27 VAL HA . 15817 1
263 . 1 1 28 28 VAL HB H 1 2.040 0.02 . 1 . . . . 27 VAL HB . 15817 1
264 . 1 1 28 28 VAL C C 13 175.400 0.3 . 1 . . . . 27 VAL C . 15817 1
265 . 1 1 28 28 VAL CA C 13 59.600 0.3 . 1 . . . . 27 VAL CA . 15817 1
266 . 1 1 28 28 VAL CB C 13 36.100 0.3 . 1 . . . . 27 VAL CB . 15817 1
267 . 1 1 28 28 VAL CG1 C 13 22.265 0.3 . 2 . . . . 27 VAL CG1 . 15817 1
268 . 1 1 28 28 VAL CG2 C 13 18.000 0.3 . 2 . . . . 27 VAL CG2 . 15817 1
269 . 1 1 28 28 VAL N N 15 122.800 0.3 . 1 . . . . 27 VAL N . 15817 1
270 . 1 1 29 29 THR H H 1 8.270 0.02 . 1 . . . . 28 THR H . 15817 1
271 . 1 1 29 29 THR HA H 1 4.399 0.02 . 1 . . . . 28 THR HA . 15817 1
272 . 1 1 29 29 THR HB H 1 3.910 0.02 . 1 . . . . 28 THR HB . 15817 1
273 . 1 1 29 29 THR HG21 H 1 1.160 0.02 . 1 . . . . 28 THR HG21 . 15817 1
274 . 1 1 29 29 THR HG22 H 1 1.160 0.02 . 1 . . . . 28 THR HG22 . 15817 1
275 . 1 1 29 29 THR HG23 H 1 1.160 0.02 . 1 . . . . 28 THR HG23 . 15817 1
276 . 1 1 29 29 THR CA C 13 59.000 0.3 . 1 . . . . 28 THR CA . 15817 1
277 . 1 1 29 29 THR CB C 13 71.400 0.3 . 1 . . . . 28 THR CB . 15817 1
278 . 1 1 29 29 THR CG2 C 13 20.700 0.3 . 1 . . . . 28 THR CG2 . 15817 1
279 . 1 1 29 29 THR N N 15 116.400 0.3 . 1 . . . . 28 THR N . 15817 1
280 . 1 1 30 30 PRO HA H 1 4.750 0.02 . 1 . . . . 29 PRO HA . 15817 1
281 . 1 1 30 30 PRO HB2 H 1 2.083 0.02 . 2 . . . . 29 PRO HB2 . 15817 1
282 . 1 1 30 30 PRO HB3 H 1 2.450 0.02 . 2 . . . . 29 PRO HB3 . 15817 1
283 . 1 1 30 30 PRO HD2 H 1 3.624 0.02 . 1 . . . . 29 PRO HD2 . 15817 1
284 . 1 1 30 30 PRO HD3 H 1 3.624 0.02 . 1 . . . . 29 PRO HD3 . 15817 1
285 . 1 1 30 30 PRO HG2 H 1 1.930 0.02 . 2 . . . . 29 PRO HG2 . 15817 1
286 . 1 1 30 30 PRO HG3 H 1 1.760 0.02 . 2 . . . . 29 PRO HG3 . 15817 1
287 . 1 1 30 30 PRO C C 13 176.100 0.3 . 1 . . . . 29 PRO C . 15817 1
288 . 1 1 30 30 PRO CA C 13 62.432 0.3 . 1 . . . . 29 PRO CA . 15817 1
289 . 1 1 30 30 PRO CB C 13 34.702 0.3 . 1 . . . . 29 PRO CB . 15817 1
290 . 1 1 30 30 PRO CD C 13 50.320 0.3 . 1 . . . . 29 PRO CD . 15817 1
291 . 1 1 30 30 PRO CG C 13 25.100 0.3 . 1 . . . . 29 PRO CG . 15817 1
292 . 1 1 31 31 VAL H H 1 8.240 0.02 . 1 . . . . 30 VAL H . 15817 1
293 . 1 1 31 31 VAL HA H 1 3.830 0.02 . 1 . . . . 30 VAL HA . 15817 1
294 . 1 1 31 31 VAL HB H 1 2.180 0.02 . 1 . . . . 30 VAL HB . 15817 1
295 . 1 1 31 31 VAL HG11 H 1 1.080 0.02 . 2 . . . . 30 VAL HG11 . 15817 1
296 . 1 1 31 31 VAL HG12 H 1 1.080 0.02 . 2 . . . . 30 VAL HG12 . 15817 1
297 . 1 1 31 31 VAL HG13 H 1 1.080 0.02 . 2 . . . . 30 VAL HG13 . 15817 1
298 . 1 1 31 31 VAL HG21 H 1 0.994 0.02 . 2 . . . . 30 VAL HG21 . 15817 1
299 . 1 1 31 31 VAL HG22 H 1 0.994 0.02 . 2 . . . . 30 VAL HG22 . 15817 1
300 . 1 1 31 31 VAL HG23 H 1 0.994 0.02 . 2 . . . . 30 VAL HG23 . 15817 1
301 . 1 1 31 31 VAL C C 13 176.100 0.3 . 1 . . . . 30 VAL C . 15817 1
302 . 1 1 31 31 VAL CA C 13 62.500 0.3 . 1 . . . . 30 VAL CA . 15817 1
303 . 1 1 31 31 VAL CB C 13 32.100 0.3 . 1 . . . . 30 VAL CB . 15817 1
304 . 1 1 31 31 VAL CG1 C 13 21.400 0.3 . 2 . . . . 30 VAL CG1 . 15817 1
305 . 1 1 31 31 VAL CG2 C 13 19.900 0.3 . 2 . . . . 30 VAL CG2 . 15817 1
306 . 1 1 31 31 VAL N N 15 116.700 0.3 . 1 . . . . 30 VAL N . 15817 1
307 . 1 1 32 32 GLY H H 1 8.230 0.02 . 1 . . . . 31 GLY H . 15817 1
308 . 1 1 32 32 GLY HA2 H 1 4.940 0.02 . 2 . . . . 31 GLY HA2 . 15817 1
309 . 1 1 32 32 GLY HA3 H 1 3.498 0.02 . 2 . . . . 31 GLY HA3 . 15817 1
310 . 1 1 32 32 GLY C C 13 174.700 0.3 . 1 . . . . 31 GLY C . 15817 1
311 . 1 1 32 32 GLY CA C 13 45.100 0.3 . 1 . . . . 31 GLY CA . 15817 1
312 . 1 1 32 32 GLY N N 15 110.700 0.3 . 1 . . . . 31 GLY N . 15817 1
313 . 1 1 33 33 ILE H H 1 8.660 0.02 . 1 . . . . 32 ILE H . 15817 1
314 . 1 1 33 33 ILE HA H 1 3.892 0.02 . 1 . . . . 32 ILE HA . 15817 1
315 . 1 1 33 33 ILE HB H 1 1.280 0.02 . 1 . . . . 32 ILE HB . 15817 1
316 . 1 1 33 33 ILE HD11 H 1 0.100 0.02 . 1 . . . . 32 ILE HD11 . 15817 1
317 . 1 1 33 33 ILE HD12 H 1 0.100 0.02 . 1 . . . . 32 ILE HD12 . 15817 1
318 . 1 1 33 33 ILE HD13 H 1 0.100 0.02 . 1 . . . . 32 ILE HD13 . 15817 1
319 . 1 1 33 33 ILE HG21 H 1 1.011 0.02 . 1 . . . . 32 ILE HG21 . 15817 1
320 . 1 1 33 33 ILE HG22 H 1 1.011 0.02 . 1 . . . . 32 ILE HG22 . 15817 1
321 . 1 1 33 33 ILE HG23 H 1 1.011 0.02 . 1 . . . . 32 ILE HG23 . 15817 1
322 . 1 1 33 33 ILE CA C 13 61.250 0.3 . 1 . . . . 32 ILE CA . 15817 1
323 . 1 1 33 33 ILE CB C 13 39.700 0.3 . 1 . . . . 32 ILE CB . 15817 1
324 . 1 1 33 33 ILE CD1 C 13 13.900 0.3 . 1 . . . . 32 ILE CD1 . 15817 1
325 . 1 1 33 33 ILE CG1 C 13 28.700 0.3 . 1 . . . . 32 ILE CG1 . 15817 1
326 . 1 1 33 33 ILE CG2 C 13 15.893 0.3 . 1 . . . . 32 ILE CG2 . 15817 1
327 . 1 1 33 33 ILE N N 15 128.200 0.3 . 1 . . . . 32 ILE N . 15817 1
328 . 1 1 34 34 PRO HA H 1 4.670 0.02 . 1 . . . . 33 PRO HA . 15817 1
329 . 1 1 34 34 PRO HB2 H 1 1.990 0.02 . 2 . . . . 33 PRO HB2 . 15817 1
330 . 1 1 34 34 PRO HB3 H 1 2.380 0.02 . 2 . . . . 33 PRO HB3 . 15817 1
331 . 1 1 34 34 PRO HG2 H 1 1.970 0.02 . 2 . . . . 33 PRO HG2 . 15817 1
332 . 1 1 34 34 PRO HG3 H 1 2.040 0.02 . 2 . . . . 33 PRO HG3 . 15817 1
333 . 1 1 34 34 PRO C C 13 178.300 0.3 . 1 . . . . 33 PRO C . 15817 1
334 . 1 1 34 34 PRO CA C 13 63.100 0.3 . 1 . . . . 33 PRO CA . 15817 1
335 . 1 1 34 34 PRO CB C 13 32.700 0.3 . 1 . . . . 33 PRO CB . 15817 1
336 . 1 1 34 34 PRO CD C 13 51.100 0.3 . 1 . . . . 33 PRO CD . 15817 1
337 . 1 1 34 34 PRO CG C 13 27.700 0.3 . 1 . . . . 33 PRO CG . 15817 1
338 . 1 1 35 35 ALA H H 1 8.220 0.02 . 1 . . . . 34 ALA H . 15817 1
339 . 1 1 35 35 ALA HA H 1 3.839 0.02 . 1 . . . . 34 ALA HA . 15817 1
340 . 1 1 35 35 ALA HB1 H 1 1.230 0.02 . 1 . . . . 34 ALA HB1 . 15817 1
341 . 1 1 35 35 ALA HB2 H 1 1.230 0.02 . 1 . . . . 34 ALA HB2 . 15817 1
342 . 1 1 35 35 ALA HB3 H 1 1.230 0.02 . 1 . . . . 34 ALA HB3 . 15817 1
343 . 1 1 35 35 ALA C C 13 179.900 0.3 . 1 . . . . 34 ALA C . 15817 1
344 . 1 1 35 35 ALA CA C 13 54.581 0.3 . 1 . . . . 34 ALA CA . 15817 1
345 . 1 1 35 35 ALA CB C 13 18.700 0.3 . 1 . . . . 34 ALA CB . 15817 1
346 . 1 1 35 35 ALA N N 15 124.700 0.3 . 1 . . . . 34 ALA N . 15817 1
347 . 1 1 36 36 GLU H H 1 9.090 0.02 . 1 . . . . 35 GLU H . 15817 1
348 . 1 1 36 36 GLU HA H 1 4.040 0.02 . 1 . . . . 35 GLU HA . 15817 1
349 . 1 1 36 36 GLU HG2 H 1 2.385 0.02 . 2 . . . . 35 GLU HG2 . 15817 1
350 . 1 1 36 36 GLU HG3 H 1 2.270 0.02 . 2 . . . . 35 GLU HG3 . 15817 1
351 . 1 1 36 36 GLU C C 13 176.800 0.3 . 1 . . . . 35 GLU C . 15817 1
352 . 1 1 36 36 GLU CA C 13 59.200 0.3 . 1 . . . . 35 GLU CA . 15817 1
353 . 1 1 36 36 GLU CB C 13 28.900 0.3 . 1 . . . . 35 GLU CB . 15817 1
354 . 1 1 36 36 GLU CG C 13 36.800 0.3 . 1 . . . . 35 GLU CG . 15817 1
355 . 1 1 36 36 GLU N N 15 117.900 0.3 . 1 . . . . 35 GLU N . 15817 1
356 . 1 1 37 37 ASP H H 1 8.160 0.02 . 1 . . . . 36 ASP H . 15817 1
357 . 1 1 37 37 ASP HA H 1 4.920 0.02 . 1 . . . . 36 ASP HA . 15817 1
358 . 1 1 37 37 ASP HB2 H 1 2.940 0.02 . 2 . . . . 36 ASP HB2 . 15817 1
359 . 1 1 37 37 ASP HB3 H 1 2.780 0.02 . 2 . . . . 36 ASP HB3 . 15817 1
360 . 1 1 37 37 ASP C C 13 177.000 0.3 . 1 . . . . 36 ASP C . 15817 1
361 . 1 1 37 37 ASP CA C 13 54.900 0.3 . 1 . . . . 36 ASP CA . 15817 1
362 . 1 1 37 37 ASP CB C 13 40.700 0.3 . 1 . . . . 36 ASP CB . 15817 1
363 . 1 1 37 37 ASP N N 15 117.300 0.3 . 1 . . . . 36 ASP N . 15817 1
364 . 1 1 38 38 ILE H H 1 7.640 0.02 . 1 . . . . 37 ILE H . 15817 1
365 . 1 1 38 38 ILE HA H 1 3.680 0.02 . 1 . . . . 37 ILE HA . 15817 1
366 . 1 1 38 38 ILE HB H 1 1.910 0.02 . 1 . . . . 37 ILE HB . 15817 1
367 . 1 1 38 38 ILE HD11 H 1 0.796 0.02 . 1 . . . . 37 ILE HD11 . 15817 1
368 . 1 1 38 38 ILE HD12 H 1 0.796 0.02 . 1 . . . . 37 ILE HD12 . 15817 1
369 . 1 1 38 38 ILE HD13 H 1 0.796 0.02 . 1 . . . . 37 ILE HD13 . 15817 1
370 . 1 1 38 38 ILE HG12 H 1 1.180 0.02 . 2 . . . . 37 ILE HG12 . 15817 1
371 . 1 1 38 38 ILE HG13 H 1 1.889 0.02 . 2 . . . . 37 ILE HG13 . 15817 1
372 . 1 1 38 38 ILE HG21 H 1 0.827 0.02 . 1 . . . . 37 ILE HG21 . 15817 1
373 . 1 1 38 38 ILE HG22 H 1 0.827 0.02 . 1 . . . . 37 ILE HG22 . 15817 1
374 . 1 1 38 38 ILE HG23 H 1 0.827 0.02 . 1 . . . . 37 ILE HG23 . 15817 1
375 . 1 1 38 38 ILE CA C 13 69.200 0.3 . 1 . . . . 37 ILE CA . 15817 1
376 . 1 1 38 38 ILE CB C 13 36.400 0.3 . 1 . . . . 37 ILE CB . 15817 1
377 . 1 1 38 38 ILE CD1 C 13 12.232 0.3 . 1 . . . . 37 ILE CD1 . 15817 1
378 . 1 1 38 38 ILE CG1 C 13 33.348 0.3 . 1 . . . . 37 ILE CG1 . 15817 1
379 . 1 1 38 38 ILE CG2 C 13 16.759 0.3 . 1 . . . . 37 ILE CG2 . 15817 1
380 . 1 1 38 38 ILE N N 15 121.400 0.3 . 1 . . . . 37 ILE N . 15817 1
381 . 1 1 39 39 PRO HA H 1 4.190 0.02 . 1 . . . . 38 PRO HA . 15817 1
382 . 1 1 39 39 PRO HB2 H 1 1.860 0.02 . 2 . . . . 38 PRO HB2 . 15817 1
383 . 1 1 39 39 PRO HB3 H 1 2.350 0.02 . 2 . . . . 38 PRO HB3 . 15817 1
384 . 1 1 39 39 PRO HD2 H 1 3.510 0.02 . 2 . . . . 38 PRO HD2 . 15817 1
385 . 1 1 39 39 PRO HD3 H 1 3.710 0.02 . 2 . . . . 38 PRO HD3 . 15817 1
386 . 1 1 39 39 PRO HG2 H 1 1.980 0.02 . 2 . . . . 38 PRO HG2 . 15817 1
387 . 1 1 39 39 PRO HG3 H 1 2.070 0.02 . 2 . . . . 38 PRO HG3 . 15817 1
388 . 1 1 39 39 PRO C C 13 179.400 0.3 . 1 . . . . 38 PRO C . 15817 1
389 . 1 1 39 39 PRO CA C 13 65.878 0.3 . 1 . . . . 38 PRO CA . 15817 1
390 . 1 1 39 39 PRO CB C 13 31.200 0.3 . 1 . . . . 38 PRO CB . 15817 1
391 . 1 1 39 39 PRO CD C 13 49.000 0.3 . 1 . . . . 38 PRO CD . 15817 1
392 . 1 1 39 39 PRO CG C 13 28.500 0.3 . 1 . . . . 38 PRO CG . 15817 1
393 . 1 1 40 40 ARG H H 1 7.310 0.02 . 1 . . . . 39 ARG H . 15817 1
394 . 1 1 40 40 ARG HA H 1 4.230 0.02 . 1 . . . . 39 ARG HA . 15817 1
395 . 1 1 40 40 ARG C C 13 175.900 0.3 . 1 . . . . 39 ARG C . 15817 1
396 . 1 1 40 40 ARG CA C 13 57.300 0.3 . 1 . . . . 39 ARG CA . 15817 1
397 . 1 1 40 40 ARG CB C 13 30.800 0.3 . 1 . . . . 39 ARG CB . 15817 1
398 . 1 1 40 40 ARG CD C 13 44.100 0.3 . 1 . . . . 39 ARG CD . 15817 1
399 . 1 1 40 40 ARG CG C 13 27.500 0.3 . 1 . . . . 39 ARG CG . 15817 1
400 . 1 1 40 40 ARG N N 15 114.700 0.3 . 1 . . . . 39 ARG N . 15817 1
401 . 1 1 41 41 LEU H H 1 7.670 0.02 . 1 . . . . 40 LEU H . 15817 1
402 . 1 1 41 41 LEU HA H 1 4.150 0.02 . 1 . . . . 40 LEU HA . 15817 1
403 . 1 1 41 41 LEU HB2 H 1 1.430 0.02 . 2 . . . . 40 LEU HB2 . 15817 1
404 . 1 1 41 41 LEU HB3 H 1 1.760 0.02 . 2 . . . . 40 LEU HB3 . 15817 1
405 . 1 1 41 41 LEU HG H 1 0.794 0.02 . 1 . . . . 40 LEU HG . 15817 1
406 . 1 1 41 41 LEU C C 13 177.800 0.3 . 1 . . . . 40 LEU C . 15817 1
407 . 1 1 41 41 LEU CA C 13 55.500 0.3 . 1 . . . . 40 LEU CA . 15817 1
408 . 1 1 41 41 LEU CB C 13 42.700 0.3 . 1 . . . . 40 LEU CB . 15817 1
409 . 1 1 41 41 LEU CD1 C 13 24.400 0.3 . 2 . . . . 40 LEU CD1 . 15817 1
410 . 1 1 41 41 LEU CD2 C 13 25.000 0.3 . 2 . . . . 40 LEU CD2 . 15817 1
411 . 1 1 41 41 LEU CG C 13 26.800 0.3 . 1 . . . . 40 LEU CG . 15817 1
412 . 1 1 41 41 LEU N N 15 117.900 0.3 . 1 . . . . 40 LEU N . 15817 1
413 . 1 1 42 42 VAL H H 1 6.650 0.02 . 1 . . . . 41 VAL H . 15817 1
414 . 1 1 42 42 VAL HA H 1 3.231 0.02 . 1 . . . . 41 VAL HA . 15817 1
415 . 1 1 42 42 VAL HB H 1 1.951 0.02 . 1 . . . . 41 VAL HB . 15817 1
416 . 1 1 42 42 VAL HG11 H 1 0.970 0.02 . 2 . . . . 41 VAL HG11 . 15817 1
417 . 1 1 42 42 VAL HG12 H 1 0.970 0.02 . 2 . . . . 41 VAL HG12 . 15817 1
418 . 1 1 42 42 VAL HG13 H 1 0.970 0.02 . 2 . . . . 41 VAL HG13 . 15817 1
419 . 1 1 42 42 VAL HG21 H 1 1.060 0.02 . 2 . . . . 41 VAL HG21 . 15817 1
420 . 1 1 42 42 VAL HG22 H 1 1.060 0.02 . 2 . . . . 41 VAL HG22 . 15817 1
421 . 1 1 42 42 VAL HG23 H 1 1.060 0.02 . 2 . . . . 41 VAL HG23 . 15817 1
422 . 1 1 42 42 VAL C C 13 177.800 0.3 . 1 . . . . 41 VAL C . 15817 1
423 . 1 1 42 42 VAL CA C 13 65.224 0.3 . 1 . . . . 41 VAL CA . 15817 1
424 . 1 1 42 42 VAL CB C 13 31.600 0.3 . 1 . . . . 41 VAL CB . 15817 1
425 . 1 1 42 42 VAL CG1 C 13 23.100 0.3 . 2 . . . . 41 VAL CG1 . 15817 1
426 . 1 1 42 42 VAL CG2 C 13 21.400 0.3 . 2 . . . . 41 VAL CG2 . 15817 1
427 . 1 1 42 42 VAL N N 15 116.300 0.3 . 1 . . . . 41 VAL N . 15817 1
428 . 1 1 43 43 SER H H 1 9.370 0.02 . 1 . . . . 42 SER H . 15817 1
429 . 1 1 43 43 SER HA H 1 4.450 0.02 . 1 . . . . 42 SER HA . 15817 1
430 . 1 1 43 43 SER C C 13 174.000 0.3 . 1 . . . . 42 SER C . 15817 1
431 . 1 1 43 43 SER CA C 13 58.200 0.3 . 1 . . . . 42 SER CA . 15817 1
432 . 1 1 43 43 SER CB C 13 63.800 0.3 . 1 . . . . 42 SER CB . 15817 1
433 . 1 1 43 43 SER N N 15 121.600 0.3 . 1 . . . . 42 SER N . 15817 1
434 . 1 1 44 44 MET H H 1 8.720 0.02 . 1 . . . . 43 MET H . 15817 1
435 . 1 1 44 44 MET HA H 1 4.550 0.02 . 1 . . . . 43 MET HA . 15817 1
436 . 1 1 44 44 MET C C 13 175.100 0.3 . 1 . . . . 43 MET C . 15817 1
437 . 1 1 44 44 MET CA C 13 57.000 0.3 . 1 . . . . 43 MET CA . 15817 1
438 . 1 1 44 44 MET CB C 13 32.800 0.3 . 1 . . . . 43 MET CB . 15817 1
439 . 1 1 44 44 MET CG C 13 31.100 0.3 . 1 . . . . 43 MET CG . 15817 1
440 . 1 1 44 44 MET N N 15 123.500 0.3 . 1 . . . . 43 MET N . 15817 1
441 . 1 1 45 45 GLN H H 1 8.870 0.02 . 1 . . . . 44 GLN H . 15817 1
442 . 1 1 45 45 GLN HA H 1 5.292 0.02 . 1 . . . . 44 GLN HA . 15817 1
443 . 1 1 45 45 GLN C C 13 177.100 0.3 . 1 . . . . 44 GLN C . 15817 1
444 . 1 1 45 45 GLN CA C 13 54.500 0.3 . 1 . . . . 44 GLN CA . 15817 1
445 . 1 1 45 45 GLN CB C 13 32.300 0.3 . 1 . . . . 44 GLN CB . 15817 1
446 . 1 1 45 45 GLN CG C 13 34.100 0.3 . 1 . . . . 44 GLN CG . 15817 1
447 . 1 1 45 45 GLN N N 15 118.300 0.3 . 1 . . . . 44 GLN N . 15817 1
448 . 1 1 46 46 VAL H H 1 7.510 0.02 . 1 . . . . 45 VAL H . 15817 1
449 . 1 1 46 46 VAL HA H 1 5.345 0.02 . 1 . . . . 45 VAL HA . 15817 1
450 . 1 1 46 46 VAL HB H 1 2.480 0.02 . 1 . . . . 45 VAL HB . 15817 1
451 . 1 1 46 46 VAL HG11 H 1 1.020 0.02 . 2 . . . . 45 VAL HG11 . 15817 1
452 . 1 1 46 46 VAL HG12 H 1 1.020 0.02 . 2 . . . . 45 VAL HG12 . 15817 1
453 . 1 1 46 46 VAL HG13 H 1 1.020 0.02 . 2 . . . . 45 VAL HG13 . 15817 1
454 . 1 1 46 46 VAL HG21 H 1 1.120 0.02 . 2 . . . . 45 VAL HG21 . 15817 1
455 . 1 1 46 46 VAL HG22 H 1 1.120 0.02 . 2 . . . . 45 VAL HG22 . 15817 1
456 . 1 1 46 46 VAL HG23 H 1 1.120 0.02 . 2 . . . . 45 VAL HG23 . 15817 1
457 . 1 1 46 46 VAL C C 13 178.100 0.3 . 1 . . . . 45 VAL C . 15817 1
458 . 1 1 46 46 VAL CA C 13 59.849 0.3 . 1 . . . . 45 VAL CA . 15817 1
459 . 1 1 46 46 VAL CB C 13 33.500 0.3 . 1 . . . . 45 VAL CB . 15817 1
460 . 1 1 46 46 VAL CG1 C 13 22.400 0.3 . 2 . . . . 45 VAL CG1 . 15817 1
461 . 1 1 46 46 VAL CG2 C 13 20.700 0.3 . 2 . . . . 45 VAL CG2 . 15817 1
462 . 1 1 46 46 VAL N N 15 111.100 0.3 . 1 . . . . 45 VAL N . 15817 1
463 . 1 1 47 47 ASN H H 1 8.530 0.02 . 1 . . . . 46 ASN H . 15817 1
464 . 1 1 47 47 ASN HA H 1 4.730 0.02 . 1 . . . . 46 ASN HA . 15817 1
465 . 1 1 47 47 ASN HB2 H 1 3.250 0.02 . 2 . . . . 46 ASN HB2 . 15817 1
466 . 1 1 47 47 ASN HB3 H 1 2.420 0.02 . 2 . . . . 46 ASN HB3 . 15817 1
467 . 1 1 47 47 ASN C C 13 174.600 0.3 . 1 . . . . 46 ASN C . 15817 1
468 . 1 1 47 47 ASN CA C 13 51.900 0.3 . 1 . . . . 46 ASN CA . 15817 1
469 . 1 1 47 47 ASN CB C 13 39.400 0.3 . 1 . . . . 46 ASN CB . 15817 1
470 . 1 1 47 47 ASN N N 15 118.300 0.3 . 1 . . . . 46 ASN N . 15817 1
471 . 1 1 48 48 ARG H H 1 7.790 0.02 . 1 . . . . 47 ARG H . 15817 1
472 . 1 1 48 48 ARG HA H 1 4.400 0.02 . 1 . . . . 47 ARG HA . 15817 1
473 . 1 1 48 48 ARG HG2 H 1 1.570 0.02 . 2 . . . . 47 ARG HG2 . 15817 1
474 . 1 1 48 48 ARG HG3 H 1 1.480 0.02 . 2 . . . . 47 ARG HG3 . 15817 1
475 . 1 1 48 48 ARG C C 13 172.400 0.3 . 1 . . . . 47 ARG C . 15817 1
476 . 1 1 48 48 ARG CA C 13 53.700 0.3 . 1 . . . . 47 ARG CA . 15817 1
477 . 1 1 48 48 ARG CB C 13 32.000 0.3 . 1 . . . . 47 ARG CB . 15817 1
478 . 1 1 48 48 ARG CD C 13 44.000 0.3 . 1 . . . . 47 ARG CD . 15817 1
479 . 1 1 48 48 ARG CG C 13 24.000 0.3 . 1 . . . . 47 ARG CG . 15817 1
480 . 1 1 48 48 ARG N N 15 114.500 0.3 . 1 . . . . 47 ARG N . 15817 1
481 . 1 1 49 49 ALA H H 1 8.440 0.02 . 1 . . . . 48 ALA H . 15817 1
482 . 1 1 49 49 ALA HA H 1 4.730 0.02 . 1 . . . . 48 ALA HA . 15817 1
483 . 1 1 49 49 ALA HB1 H 1 1.310 0.02 . 1 . . . . 48 ALA HB1 . 15817 1
484 . 1 1 49 49 ALA HB2 H 1 1.310 0.02 . 1 . . . . 48 ALA HB2 . 15817 1
485 . 1 1 49 49 ALA HB3 H 1 1.310 0.02 . 1 . . . . 48 ALA HB3 . 15817 1
486 . 1 1 49 49 ALA C C 13 178.700 0.3 . 1 . . . . 48 ALA C . 15817 1
487 . 1 1 49 49 ALA CA C 13 52.000 0.3 . 1 . . . . 48 ALA CA . 15817 1
488 . 1 1 49 49 ALA CB C 13 18.300 0.3 . 1 . . . . 48 ALA CB . 15817 1
489 . 1 1 49 49 ALA N N 15 120.400 0.3 . 1 . . . . 48 ALA N . 15817 1
490 . 1 1 50 50 VAL H H 1 9.230 0.02 . 1 . . . . 49 VAL H . 15817 1
491 . 1 1 50 50 VAL HA H 1 4.460 0.02 . 1 . . . . 49 VAL HA . 15817 1
492 . 1 1 50 50 VAL HB H 1 2.240 0.02 . 1 . . . . 49 VAL HB . 15817 1
493 . 1 1 50 50 VAL HG11 H 1 0.880 0.02 . 2 . . . . 49 VAL HG11 . 15817 1
494 . 1 1 50 50 VAL HG12 H 1 0.880 0.02 . 2 . . . . 49 VAL HG12 . 15817 1
495 . 1 1 50 50 VAL HG13 H 1 0.880 0.02 . 2 . . . . 49 VAL HG13 . 15817 1
496 . 1 1 50 50 VAL HG21 H 1 1.000 0.02 . 2 . . . . 49 VAL HG21 . 15817 1
497 . 1 1 50 50 VAL HG22 H 1 1.000 0.02 . 2 . . . . 49 VAL HG22 . 15817 1
498 . 1 1 50 50 VAL HG23 H 1 1.000 0.02 . 2 . . . . 49 VAL HG23 . 15817 1
499 . 1 1 50 50 VAL CA C 13 59.600 0.3 . 1 . . . . 49 VAL CA . 15817 1
500 . 1 1 50 50 VAL CB C 13 33.700 0.3 . 1 . . . . 49 VAL CB . 15817 1
501 . 1 1 50 50 VAL CG1 C 13 22.400 0.3 . 2 . . . . 49 VAL CG1 . 15817 1
502 . 1 1 50 50 VAL CG2 C 13 20.400 0.3 . 2 . . . . 49 VAL CG2 . 15817 1
503 . 1 1 50 50 VAL N N 15 124.800 0.3 . 1 . . . . 49 VAL N . 15817 1
504 . 1 1 51 51 PRO HA H 1 4.300 0.02 . 1 . . . . 50 PRO HA . 15817 1
505 . 1 1 51 51 PRO C C 13 176.400 0.3 . 1 . . . . 50 PRO C . 15817 1
506 . 1 1 51 51 PRO CA C 13 62.400 0.3 . 1 . . . . 50 PRO CA . 15817 1
507 . 1 1 51 51 PRO CB C 13 32.500 0.3 . 1 . . . . 50 PRO CB . 15817 1
508 . 1 1 51 51 PRO CD C 13 51.200 0.3 . 1 . . . . 50 PRO CD . 15817 1
509 . 1 1 51 51 PRO CG C 13 27.500 0.3 . 1 . . . . 50 PRO CG . 15817 1
510 . 1 1 52 52 LEU H H 1 8.150 0.02 . 1 . . . . 51 LEU H . 15817 1
511 . 1 1 52 52 LEU HA H 1 3.380 0.02 . 1 . . . . 51 LEU HA . 15817 1
512 . 1 1 52 52 LEU HB2 H 1 1.560 0.02 . 2 . . . . 51 LEU HB2 . 15817 1
513 . 1 1 52 52 LEU HB3 H 1 1.320 0.02 . 2 . . . . 51 LEU HB3 . 15817 1
514 . 1 1 52 52 LEU HG H 1 1.300 0.02 . 1 . . . . 51 LEU HG . 15817 1
515 . 1 1 52 52 LEU C C 13 177.900 0.3 . 1 . . . . 51 LEU C . 15817 1
516 . 1 1 52 52 LEU CA C 13 57.800 0.3 . 1 . . . . 51 LEU CA . 15817 1
517 . 1 1 52 52 LEU CB C 13 42.700 0.3 . 1 . . . . 51 LEU CB . 15817 1
518 . 1 1 52 52 LEU CD1 C 13 25.200 0.3 . 2 . . . . 51 LEU CD1 . 15817 1
519 . 1 1 52 52 LEU CD2 C 13 24.800 0.3 . 2 . . . . 51 LEU CD2 . 15817 1
520 . 1 1 52 52 LEU CG C 13 27.200 0.3 . 1 . . . . 51 LEU CG . 15817 1
521 . 1 1 52 52 LEU N N 15 124.000 0.3 . 1 . . . . 51 LEU N . 15817 1
522 . 1 1 53 53 GLY H H 1 8.870 0.02 . 1 . . . . 52 GLY H . 15817 1
523 . 1 1 53 53 GLY HA2 H 1 4.199 0.02 . 2 . . . . 52 GLY HA2 . 15817 1
524 . 1 1 53 53 GLY HA3 H 1 3.470 0.02 . 2 . . . . 52 GLY HA3 . 15817 1
525 . 1 1 53 53 GLY C C 13 174.000 0.3 . 1 . . . . 52 GLY C . 15817 1
526 . 1 1 53 53 GLY CA C 13 45.400 0.3 . 1 . . . . 52 GLY CA . 15817 1
527 . 1 1 53 53 GLY N N 15 114.700 0.3 . 1 . . . . 52 GLY N . 15817 1
528 . 1 1 54 54 THR H H 1 7.730 0.02 . 1 . . . . 53 THR H . 15817 1
529 . 1 1 54 54 THR HA H 1 4.260 0.02 . 1 . . . . 53 THR HA . 15817 1
530 . 1 1 54 54 THR HB H 1 4.090 0.02 . 1 . . . . 53 THR HB . 15817 1
531 . 1 1 54 54 THR HG21 H 1 1.250 0.02 . 1 . . . . 53 THR HG21 . 15817 1
532 . 1 1 54 54 THR HG22 H 1 1.250 0.02 . 1 . . . . 53 THR HG22 . 15817 1
533 . 1 1 54 54 THR HG23 H 1 1.250 0.02 . 1 . . . . 53 THR HG23 . 15817 1
534 . 1 1 54 54 THR C C 13 173.500 0.3 . 1 . . . . 53 THR C . 15817 1
535 . 1 1 54 54 THR CA C 13 63.183 0.3 . 1 . . . . 53 THR CA . 15817 1
536 . 1 1 54 54 THR CB C 13 69.700 0.3 . 1 . . . . 53 THR CB . 15817 1
537 . 1 1 54 54 THR CG2 C 13 21.571 0.3 . 1 . . . . 53 THR CG2 . 15817 1
538 . 1 1 54 54 THR N N 15 118.100 0.3 . 1 . . . . 53 THR N . 15817 1
539 . 1 1 55 55 THR H H 1 8.700 0.02 . 1 . . . . 54 THR H . 15817 1
540 . 1 1 55 55 THR HA H 1 4.270 0.02 . 1 . . . . 54 THR HA . 15817 1
541 . 1 1 55 55 THR HB H 1 3.922 0.02 . 1 . . . . 54 THR HB . 15817 1
542 . 1 1 55 55 THR HG21 H 1 1.100 0.02 . 1 . . . . 54 THR HG21 . 15817 1
543 . 1 1 55 55 THR HG22 H 1 1.100 0.02 . 1 . . . . 54 THR HG22 . 15817 1
544 . 1 1 55 55 THR HG23 H 1 1.100 0.02 . 1 . . . . 54 THR HG23 . 15817 1
545 . 1 1 55 55 THR C C 13 173.500 0.3 . 1 . . . . 54 THR C . 15817 1
546 . 1 1 55 55 THR CA C 13 63.200 0.3 . 1 . . . . 54 THR CA . 15817 1
547 . 1 1 55 55 THR CB C 13 68.946 0.3 . 1 . . . . 54 THR CB . 15817 1
548 . 1 1 55 55 THR CG2 C 13 22.800 0.3 . 1 . . . . 54 THR CG2 . 15817 1
549 . 1 1 55 55 THR N N 15 124.100 0.3 . 1 . . . . 54 THR N . 15817 1
550 . 1 1 56 56 LEU H H 1 9.080 0.02 . 1 . . . . 55 LEU H . 15817 1
551 . 1 1 56 56 LEU HA H 1 4.340 0.02 . 1 . . . . 55 LEU HA . 15817 1
552 . 1 1 56 56 LEU HB2 H 1 1.420 0.02 . 2 . . . . 55 LEU HB2 . 15817 1
553 . 1 1 56 56 LEU HB3 H 1 1.180 0.02 . 2 . . . . 55 LEU HB3 . 15817 1
554 . 1 1 56 56 LEU HD11 H 1 0.650 0.02 . 2 . . . . 55 LEU HD11 . 15817 1
555 . 1 1 56 56 LEU HD12 H 1 0.650 0.02 . 2 . . . . 55 LEU HD12 . 15817 1
556 . 1 1 56 56 LEU HD13 H 1 0.650 0.02 . 2 . . . . 55 LEU HD13 . 15817 1
557 . 1 1 56 56 LEU HD21 H 1 0.770 0.02 . 2 . . . . 55 LEU HD21 . 15817 1
558 . 1 1 56 56 LEU HD22 H 1 0.770 0.02 . 2 . . . . 55 LEU HD22 . 15817 1
559 . 1 1 56 56 LEU HD23 H 1 0.770 0.02 . 2 . . . . 55 LEU HD23 . 15817 1
560 . 1 1 56 56 LEU HG H 1 1.415 0.02 . 1 . . . . 55 LEU HG . 15817 1
561 . 1 1 56 56 LEU C C 13 174.600 0.3 . 1 . . . . 55 LEU C . 15817 1
562 . 1 1 56 56 LEU CA C 13 55.600 0.3 . 1 . . . . 55 LEU CA . 15817 1
563 . 1 1 56 56 LEU CB C 13 42.300 0.3 . 1 . . . . 55 LEU CB . 15817 1
564 . 1 1 56 56 LEU CD1 C 13 26.200 0.3 . 2 . . . . 55 LEU CD1 . 15817 1
565 . 1 1 56 56 LEU CD2 C 13 25.300 0.3 . 2 . . . . 55 LEU CD2 . 15817 1
566 . 1 1 56 56 LEU CG C 13 28.500 0.3 . 1 . . . . 55 LEU CG . 15817 1
567 . 1 1 56 56 LEU N N 15 130.600 0.3 . 1 . . . . 55 LEU N . 15817 1
568 . 1 1 57 57 MET H H 1 7.820 0.02 . 1 . . . . 56 MET H . 15817 1
569 . 1 1 57 57 MET HA H 1 5.040 0.02 . 1 . . . . 56 MET HA . 15817 1
570 . 1 1 57 57 MET HB2 H 1 2.550 0.02 . 2 . . . . 56 MET HB2 . 15817 1
571 . 1 1 57 57 MET HB3 H 1 2.289 0.02 . 2 . . . . 56 MET HB3 . 15817 1
572 . 1 1 57 57 MET CA C 13 51.200 0.3 . 1 . . . . 56 MET CA . 15817 1
573 . 1 1 57 57 MET CB C 13 32.000 0.3 . 1 . . . . 56 MET CB . 15817 1
574 . 1 1 57 57 MET N N 15 125.400 0.3 . 1 . . . . 56 MET N . 15817 1
575 . 1 1 58 58 PRO HA H 1 3.621 0.02 . 1 . . . . 57 PRO HA . 15817 1
576 . 1 1 58 58 PRO HB2 H 1 2.070 0.02 . 2 . . . . 57 PRO HB2 . 15817 1
577 . 1 1 58 58 PRO HB3 H 1 2.430 0.02 . 2 . . . . 57 PRO HB3 . 15817 1
578 . 1 1 58 58 PRO HD2 H 1 4.090 0.02 . 2 . . . . 57 PRO HD2 . 15817 1
579 . 1 1 58 58 PRO HD3 H 1 3.880 0.02 . 2 . . . . 57 PRO HD3 . 15817 1
580 . 1 1 58 58 PRO HG2 H 1 2.250 0.02 . 2 . . . . 57 PRO HG2 . 15817 1
581 . 1 1 58 58 PRO HG3 H 1 1.810 0.02 . 2 . . . . 57 PRO HG3 . 15817 1
582 . 1 1 58 58 PRO C C 13 176.700 0.3 . 1 . . . . 57 PRO C . 15817 1
583 . 1 1 58 58 PRO CA C 13 66.100 0.3 . 1 . . . . 57 PRO CA . 15817 1
584 . 1 1 58 58 PRO CB C 13 32.800 0.3 . 1 . . . . 57 PRO CB . 15817 1
585 . 1 1 58 58 PRO CD C 13 50.600 0.3 . 1 . . . . 57 PRO CD . 15817 1
586 . 1 1 58 58 PRO CG C 13 27.800 0.3 . 1 . . . . 57 PRO CG . 15817 1
587 . 1 1 59 59 ASP H H 1 8.000 0.02 . 1 . . . . 58 ASP H . 15817 1
588 . 1 1 59 59 ASP HA H 1 4.450 0.02 . 1 . . . . 58 ASP HA . 15817 1
589 . 1 1 59 59 ASP HB2 H 1 2.820 0.02 . 2 . . . . 58 ASP HB2 . 15817 1
590 . 1 1 59 59 ASP HB3 H 1 2.630 0.02 . 2 . . . . 58 ASP HB3 . 15817 1
591 . 1 1 59 59 ASP C C 13 177.300 0.3 . 1 . . . . 58 ASP C . 15817 1
592 . 1 1 59 59 ASP CA C 13 54.700 0.3 . 1 . . . . 58 ASP CA . 15817 1
593 . 1 1 59 59 ASP CB C 13 39.900 0.3 . 1 . . . . 58 ASP CB . 15817 1
594 . 1 1 59 59 ASP N N 15 110.400 0.3 . 1 . . . . 58 ASP N . 15817 1
595 . 1 1 60 60 MET H H 1 8.120 0.02 . 1 . . . . 59 MET H . 15817 1
596 . 1 1 60 60 MET HA H 1 4.490 0.02 . 1 . . . . 59 MET HA . 15817 1
597 . 1 1 60 60 MET HB2 H 1 2.230 0.02 . 2 . . . . 59 MET HB2 . 15817 1
598 . 1 1 60 60 MET HB3 H 1 2.400 0.02 . 2 . . . . 59 MET HB3 . 15817 1
599 . 1 1 60 60 MET C C 13 174.800 0.3 . 1 . . . . 59 MET C . 15817 1
600 . 1 1 60 60 MET CA C 13 57.100 0.3 . 1 . . . . 59 MET CA . 15817 1
601 . 1 1 60 60 MET CB C 13 33.900 0.3 . 1 . . . . 59 MET CB . 15817 1
602 . 1 1 60 60 MET CG C 13 30.300 0.3 . 1 . . . . 59 MET CG . 15817 1
603 . 1 1 60 60 MET N N 15 116.900 0.3 . 1 . . . . 59 MET N . 15817 1
604 . 1 1 61 61 VAL H H 1 7.040 0.02 . 1 . . . . 60 VAL H . 15817 1
605 . 1 1 61 61 VAL HA H 1 4.423 0.02 . 1 . . . . 60 VAL HA . 15817 1
606 . 1 1 61 61 VAL HB H 1 1.804 0.02 . 1 . . . . 60 VAL HB . 15817 1
607 . 1 1 61 61 VAL HG11 H 1 0.620 0.02 . 2 . . . . 60 VAL HG11 . 15817 1
608 . 1 1 61 61 VAL HG12 H 1 0.620 0.02 . 2 . . . . 60 VAL HG12 . 15817 1
609 . 1 1 61 61 VAL HG13 H 1 0.620 0.02 . 2 . . . . 60 VAL HG13 . 15817 1
610 . 1 1 61 61 VAL HG21 H 1 0.910 0.02 . 2 . . . . 60 VAL HG21 . 15817 1
611 . 1 1 61 61 VAL HG22 H 1 0.910 0.02 . 2 . . . . 60 VAL HG22 . 15817 1
612 . 1 1 61 61 VAL HG23 H 1 0.910 0.02 . 2 . . . . 60 VAL HG23 . 15817 1
613 . 1 1 61 61 VAL C C 13 176.300 0.3 . 1 . . . . 60 VAL C . 15817 1
614 . 1 1 61 61 VAL CA C 13 61.300 0.3 . 1 . . . . 60 VAL CA . 15817 1
615 . 1 1 61 61 VAL CB C 13 33.400 0.3 . 1 . . . . 60 VAL CB . 15817 1
616 . 1 1 61 61 VAL CG1 C 13 21.300 0.3 . 2 . . . . 60 VAL CG1 . 15817 1
617 . 1 1 61 61 VAL CG2 C 13 22.100 0.3 . 2 . . . . 60 VAL CG2 . 15817 1
618 . 1 1 61 61 VAL N N 15 117.400 0.3 . 1 . . . . 60 VAL N . 15817 1
619 . 1 1 62 62 LYS H H 1 9.080 0.02 . 1 . . . . 61 LYS H . 15817 1
620 . 1 1 62 62 LYS HA H 1 4.160 0.02 . 1 . . . . 61 LYS HA . 15817 1
621 . 1 1 62 62 LYS HD2 H 1 1.460 0.02 . 2 . . . . 61 LYS HD2 . 15817 1
622 . 1 1 62 62 LYS HD3 H 1 1.318 0.02 . 2 . . . . 61 LYS HD3 . 15817 1
623 . 1 1 62 62 LYS HE2 H 1 2.890 0.02 . 2 . . . . 61 LYS HE2 . 15817 1
624 . 1 1 62 62 LYS HE3 H 1 2.976 0.02 . 2 . . . . 61 LYS HE3 . 15817 1
625 . 1 1 62 62 LYS HG2 H 1 1.619 0.02 . 2 . . . . 61 LYS HG2 . 15817 1
626 . 1 1 62 62 LYS HG3 H 1 1.725 0.02 . 2 . . . . 61 LYS HG3 . 15817 1
627 . 1 1 62 62 LYS C C 13 177.600 0.3 . 1 . . . . 61 LYS C . 15817 1
628 . 1 1 62 62 LYS CA C 13 58.200 0.3 . 1 . . . . 61 LYS CA . 15817 1
629 . 1 1 62 62 LYS CB C 13 32.300 0.3 . 1 . . . . 61 LYS CB . 15817 1
630 . 1 1 62 62 LYS CD C 13 25.556 0.3 . 1 . . . . 61 LYS CD . 15817 1
631 . 1 1 62 62 LYS CE C 13 42.216 0.3 . 1 . . . . 61 LYS CE . 15817 1
632 . 1 1 62 62 LYS CG C 13 29.846 0.3 . 1 . . . . 61 LYS CG . 15817 1
633 . 1 1 62 62 LYS N N 15 129.700 0.3 . 1 . . . . 61 LYS N . 15817 1
634 . 1 1 63 63 GLY H H 1 8.950 0.02 . 1 . . . . 62 GLY H . 15817 1
635 . 1 1 63 63 GLY HA2 H 1 4.180 0.02 . 1 . . . . 62 GLY HA2 . 15817 1
636 . 1 1 63 63 GLY HA3 H 1 4.180 0.02 . 1 . . . . 62 GLY HA3 . 15817 1
637 . 1 1 63 63 GLY C C 13 175.800 0.3 . 1 . . . . 62 GLY C . 15817 1
638 . 1 1 63 63 GLY CA C 13 45.600 0.3 . 1 . . . . 62 GLY CA . 15817 1
639 . 1 1 63 63 GLY N N 15 113.200 0.3 . 1 . . . . 62 GLY N . 15817 1
640 . 1 1 64 64 TYR H H 1 7.740 0.02 . 1 . . . . 63 TYR H . 15817 1
641 . 1 1 64 64 TYR HA H 1 3.870 0.02 . 1 . . . . 63 TYR HA . 15817 1
642 . 1 1 64 64 TYR HB2 H 1 2.870 0.02 . 2 . . . . 63 TYR HB2 . 15817 1
643 . 1 1 64 64 TYR HB3 H 1 3.140 0.02 . 2 . . . . 63 TYR HB3 . 15817 1
644 . 1 1 64 64 TYR C C 13 176.300 0.3 . 1 . . . . 63 TYR C . 15817 1
645 . 1 1 64 64 TYR CA C 13 61.858 0.3 . 1 . . . . 63 TYR CA . 15817 1
646 . 1 1 64 64 TYR CB C 13 39.000 0.3 . 1 . . . . 63 TYR CB . 15817 1
647 . 1 1 64 64 TYR N N 15 121.700 0.3 . 1 . . . . 63 TYR N . 15817 1
648 . 1 1 65 65 ALA H H 1 8.270 0.02 . 1 . . . . 64 ALA H . 15817 1
649 . 1 1 65 65 ALA HA H 1 4.070 0.02 . 1 . . . . 64 ALA HA . 15817 1
650 . 1 1 65 65 ALA HB1 H 1 1.400 0.02 . 1 . . . . 64 ALA HB1 . 15817 1
651 . 1 1 65 65 ALA HB2 H 1 1.400 0.02 . 1 . . . . 64 ALA HB2 . 15817 1
652 . 1 1 65 65 ALA HB3 H 1 1.400 0.02 . 1 . . . . 64 ALA HB3 . 15817 1
653 . 1 1 65 65 ALA C C 13 177.300 0.3 . 1 . . . . 64 ALA C . 15817 1
654 . 1 1 65 65 ALA CA C 13 53.280 0.3 . 1 . . . . 64 ALA CA . 15817 1
655 . 1 1 65 65 ALA CB C 13 18.900 0.3 . 1 . . . . 64 ALA CB . 15817 1
656 . 1 1 65 65 ALA N N 15 122.500 0.3 . 1 . . . . 64 ALA N . 15817 1
657 . 1 1 66 66 ALA H H 1 7.500 0.02 . 1 . . . . 65 ALA H . 15817 1
658 . 1 1 66 66 ALA HA H 1 4.170 0.02 . 1 . . . . 65 ALA HA . 15817 1
659 . 1 1 66 66 ALA HB1 H 1 1.360 0.02 . 1 . . . . 65 ALA HB1 . 15817 1
660 . 1 1 66 66 ALA HB2 H 1 1.360 0.02 . 1 . . . . 65 ALA HB2 . 15817 1
661 . 1 1 66 66 ALA HB3 H 1 1.360 0.02 . 1 . . . . 65 ALA HB3 . 15817 1
662 . 1 1 66 66 ALA C C 13 178.200 0.3 . 1 . . . . 65 ALA C . 15817 1
663 . 1 1 66 66 ALA CA C 13 52.400 0.3 . 1 . . . . 65 ALA CA . 15817 1
664 . 1 1 66 66 ALA CB C 13 19.000 0.3 . 1 . . . . 65 ALA CB . 15817 1
665 . 1 1 66 66 ALA N N 15 119.500 0.3 . 1 . . . . 65 ALA N . 15817 1
666 . 1 1 67 67 LEU H H 1 7.650 0.02 . 1 . . . . 66 LEU H . 15817 1
667 . 1 1 67 67 LEU HA H 1 4.080 0.02 . 1 . . . . 66 LEU HA . 15817 1
668 . 1 1 67 67 LEU HB2 H 1 1.350 0.02 . 2 . . . . 66 LEU HB2 . 15817 1
669 . 1 1 67 67 LEU HB3 H 1 1.220 0.02 . 2 . . . . 66 LEU HB3 . 15817 1
670 . 1 1 67 67 LEU HD11 H 1 0.910 0.02 . 2 . . . . 66 LEU HD11 . 15817 1
671 . 1 1 67 67 LEU HD12 H 1 0.910 0.02 . 2 . . . . 66 LEU HD12 . 15817 1
672 . 1 1 67 67 LEU HD13 H 1 0.910 0.02 . 2 . . . . 66 LEU HD13 . 15817 1
673 . 1 1 67 67 LEU HD21 H 1 0.750 0.02 . 2 . . . . 66 LEU HD21 . 15817 1
674 . 1 1 67 67 LEU HD22 H 1 0.750 0.02 . 2 . . . . 66 LEU HD22 . 15817 1
675 . 1 1 67 67 LEU HD23 H 1 0.750 0.02 . 2 . . . . 66 LEU HD23 . 15817 1
676 . 1 1 67 67 LEU HG H 1 1.580 0.02 . 1 . . . . 66 LEU HG . 15817 1
677 . 1 1 67 67 LEU C C 13 177.300 0.3 . 1 . . . . 66 LEU C . 15817 1
678 . 1 1 67 67 LEU CA C 13 55.300 0.3 . 1 . . . . 66 LEU CA . 15817 1
679 . 1 1 67 67 LEU CB C 13 41.900 0.3 . 1 . . . . 66 LEU CB . 15817 1
680 . 1 1 67 67 LEU CD1 C 13 24.800 0.3 . 2 . . . . 66 LEU CD1 . 15817 1
681 . 1 1 67 67 LEU CD2 C 13 23.200 0.3 . 2 . . . . 66 LEU CD2 . 15817 1
682 . 1 1 67 67 LEU CG C 13 26.900 0.3 . 1 . . . . 66 LEU CG . 15817 1
683 . 1 1 67 67 LEU N N 15 120.000 0.3 . 1 . . . . 66 LEU N . 15817 1
684 . 1 1 68 68 GLU H H 1 8.150 0.02 . 1 . . . . 67 GLU H . 15817 1
685 . 1 1 68 68 GLU HA H 1 4.050 0.02 . 1 . . . . 67 GLU HA . 15817 1
686 . 1 1 68 68 GLU HG2 H 1 2.090 0.02 . 2 . . . . 67 GLU HG2 . 15817 1
687 . 1 1 68 68 GLU HG3 H 1 2.190 0.02 . 2 . . . . 67 GLU HG3 . 15817 1
688 . 1 1 68 68 GLU CA C 13 56.700 0.3 . 1 . . . . 67 GLU CA . 15817 1
689 . 1 1 68 68 GLU CB C 13 30.200 0.3 . 1 . . . . 67 GLU CB . 15817 1
690 . 1 1 68 68 GLU CG C 13 36.200 0.3 . 1 . . . . 67 GLU CG . 15817 1
691 . 1 1 68 68 GLU N N 15 121.100 0.3 . 1 . . . . 67 GLU N . 15817 1
stop_
save_