###################################
# 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 16879
_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 .
_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
3 '3D HNCA' . . . 16879 1
4 '3D CBCA(CO)NH' . . . 16879 1
5 '3D HNCO' . . . 16879 1
6 '3D HNHA' . . . 16879 1
7 '3D HNHB' . . . 16879 1
8 '3D HCCH-TOCSY' . . . 16879 1
9 '3D HCCH-COSY' . . . 16879 1
10 '3D 1H-15N NOESY' . . . 16879 1
11 '3D 1H-13C NOESY' . . . 16879 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 3 3 HIS HA H 1 4.603 0.02 . 1 . . . . 3 H HA . 16879 1
2 . 1 1 3 3 HIS HB2 H 1 3.066 0.02 . 2 . . . . 3 H HB1 . 16879 1
3 . 1 1 3 3 HIS HD2 H 1 7.036 0.02 . 1 . . . . 3 H HD1 . 16879 1
4 . 1 1 3 3 HIS CA C 13 55.682 0.04 . 1 . . . . 3 H CA . 16879 1
5 . 1 1 3 3 HIS CB C 13 30.486 0.04 . 1 . . . . 3 H CB . 16879 1
6 . 1 1 4 4 VAL HA H 1 4.034 0.02 . 1 . . . . 4 V HA . 16879 1
7 . 1 1 4 4 VAL HB H 1 1.971 0.02 . 1 . . . . 4 V HB . 16879 1
8 . 1 1 4 4 VAL HG11 H 1 0.856 0.02 . 1 . . . . 4 V HG11 . 16879 1
9 . 1 1 4 4 VAL HG12 H 1 0.856 0.02 . 1 . . . . 4 V HG11 . 16879 1
10 . 1 1 4 4 VAL HG13 H 1 0.856 0.02 . 1 . . . . 4 V HG11 . 16879 1
11 . 1 1 4 4 VAL CA C 13 61.541 0.04 . 1 . . . . 4 V CA . 16879 1
12 . 1 1 4 4 VAL CB C 13 32.361 0.04 . 1 . . . . 4 V CB . 16879 1
13 . 1 1 4 4 VAL CG1 C 13 20.642 0.04 . 2 . . . . 4 V CG1 . 16879 1
14 . 1 1 8 8 SER HB2 H 1 4.087 0.02 . 2 . . . . 8 S HB1 . 16879 1
15 . 1 1 8 8 SER C C 13 174.156 0.04 . 1 . . . . 8 S C . 16879 1
16 . 1 1 8 8 SER CA C 13 60.560 0.04 . 1 . . . . 8 S CA . 16879 1
17 . 1 1 8 8 SER CB C 13 62.338 0.04 . 1 . . . . 8 S CB . 16879 1
18 . 1 1 9 9 PHE H H 1 6.301 0.02 . 1 . . . . 9 F HN . 16879 1
19 . 1 1 9 9 PHE HA H 1 4.770 0.02 . 1 . . . . 9 F HA . 16879 1
20 . 1 1 9 9 PHE HB2 H 1 2.968 0.02 . 2 . . . . 9 F HB1 . 16879 1
21 . 1 1 9 9 PHE HB3 H 1 3.589 0.02 . 2 . . . . 9 F HB2 . 16879 1
22 . 1 1 9 9 PHE C C 13 174.785 0.04 . 1 . . . . 9 F C . 16879 1
23 . 1 1 9 9 PHE CA C 13 55.096 0.04 . 1 . . . . 9 F CA . 16879 1
24 . 1 1 9 9 PHE CB C 13 38.103 0.04 . 1 . . . . 9 F CB . 16879 1
25 . 1 1 9 9 PHE N N 15 112.795 0.05 . 1 . . . . 9 F N . 16879 1
26 . 1 1 10 10 VAL H H 1 7.170 0.02 . 1 . . . . 10 V HN . 16879 1
27 . 1 1 10 10 VAL HA H 1 4.157 0.02 . 1 . . . . 10 V HA . 16879 1
28 . 1 1 10 10 VAL HB H 1 2.390 0.02 . 1 . . . . 10 V HB . 16879 1
29 . 1 1 10 10 VAL HG11 H 1 1.045 0.02 . 1 . . . . 10 V HG11 . 16879 1
30 . 1 1 10 10 VAL HG12 H 1 1.045 0.02 . 1 . . . . 10 V HG11 . 16879 1
31 . 1 1 10 10 VAL HG13 H 1 1.045 0.02 . 1 . . . . 10 V HG11 . 16879 1
32 . 1 1 10 10 VAL C C 13 174.748 0.04 . 1 . . . . 10 V C . 16879 1
33 . 1 1 10 10 VAL CA C 13 63.182 0.04 . 1 . . . . 10 V CA . 16879 1
34 . 1 1 10 10 VAL CB C 13 32.338 0.04 . 1 . . . . 10 V CB . 16879 1
35 . 1 1 10 10 VAL CG1 C 13 21.580 0.04 . 2 . . . . 10 V CG1 . 16879 1
36 . 1 1 10 10 VAL N N 15 126.857 0.05 . 1 . . . . 10 V N . 16879 1
37 . 1 1 11 11 THR H H 1 9.325 0.02 . 1 . . . . 11 T HN . 16879 1
38 . 1 1 11 11 THR HA H 1 4.855 0.02 . 1 . . . . 11 T HA . 16879 1
39 . 1 1 11 11 THR HB H 1 4.669 0.02 . 1 . . . . 11 T HB . 16879 1
40 . 1 1 11 11 THR HG21 H 1 1.223 0.02 . 1 . . . . 11 T HG21 . 16879 1
41 . 1 1 11 11 THR HG22 H 1 1.223 0.02 . 1 . . . . 11 T HG21 . 16879 1
42 . 1 1 11 11 THR HG23 H 1 1.223 0.02 . 1 . . . . 11 T HG21 . 16879 1
43 . 1 1 11 11 THR C C 13 174.304 0.04 . 1 . . . . 11 T C . 16879 1
44 . 1 1 11 11 THR CA C 13 58.963 0.04 . 1 . . . . 11 T CA . 16879 1
45 . 1 1 11 11 THR CB C 13 71.971 0.04 . 1 . . . . 11 T CB . 16879 1
46 . 1 1 11 11 THR CG2 C 13 20.759 0.04 . 1 . . . . 11 T CG2 . 16879 1
47 . 1 1 11 11 THR N N 15 121.118 0.05 . 1 . . . . 11 T N . 16879 1
48 . 1 1 12 12 GLU H H 1 8.906 0.02 . 1 . . . . 12 E HN . 16879 1
49 . 1 1 12 12 GLU HA H 1 4.154 0.02 . 1 . . . . 12 E HA . 16879 1
50 . 1 1 12 12 GLU HB2 H 1 2.109 0.02 . 2 . . . . 12 E HB1 . 16879 1
51 . 1 1 12 12 GLU HB3 H 1 2.142 0.02 . 2 . . . . 12 E HB2 . 16879 1
52 . 1 1 12 12 GLU HG2 H 1 2.359 0.02 . 2 . . . . 12 E HG1 . 16879 1
53 . 1 1 12 12 GLU C C 13 177.135 0.04 . 1 . . . . 12 E C . 16879 1
54 . 1 1 12 12 GLU CA C 13 58.377 0.04 . 1 . . . . 12 E CA . 16879 1
55 . 1 1 12 12 GLU CB C 13 29.080 0.04 . 1 . . . . 12 E CB . 16879 1
56 . 1 1 12 12 GLU CG C 13 36.111 0.04 . 1 . . . . 12 E CG . 16879 1
57 . 1 1 12 12 GLU N N 15 118.352 0.05 . 1 . . . . 12 E N . 16879 1
58 . 1 1 13 13 ASP H H 1 8.054 0.02 . 1 . . . . 13 D HN . 16879 1
59 . 1 1 13 13 ASP HA H 1 4.897 0.02 . 1 . . . . 13 D HA . 16879 1
60 . 1 1 13 13 ASP HB2 H 1 2.691 0.02 . 2 . . . . 13 D HB1 . 16879 1
61 . 1 1 13 13 ASP HB3 H 1 2.742 0.02 . 2 . . . . 13 D HB2 . 16879 1
62 . 1 1 13 13 ASP C C 13 176.617 0.04 . 1 . . . . 13 D C . 16879 1
63 . 1 1 13 13 ASP CA C 13 54.276 0.04 . 1 . . . . 13 D CA . 16879 1
64 . 1 1 13 13 ASP CB C 13 41.853 0.04 . 1 . . . . 13 D CB . 16879 1
65 . 1 1 13 13 ASP N N 15 114.485 0.05 . 1 . . . . 13 D N . 16879 1
66 . 1 1 14 14 ASN H H 1 7.644 0.02 . 1 . . . . 14 N HN . 16879 1
67 . 1 1 14 14 ASN HA H 1 5.094 0.02 . 1 . . . . 14 N HA . 16879 1
68 . 1 1 14 14 ASN HB2 H 1 2.650 0.02 . 2 . . . . 14 N HB1 . 16879 1
69 . 1 1 14 14 ASN HB3 H 1 3.751 0.02 . 2 . . . . 14 N HB2 . 16879 1
70 . 1 1 14 14 ASN HD21 H 1 7.157 0.02 . 2 . . . . 14 N HD21 . 16879 1
71 . 1 1 14 14 ASN HD22 H 1 7.393 0.02 . 2 . . . . 14 N HD22 . 16879 1
72 . 1 1 14 14 ASN C C 13 174.470 0.04 . 1 . . . . 14 N C . 16879 1
73 . 1 1 14 14 ASN CA C 13 51.346 0.04 . 1 . . . . 14 N CA . 16879 1
74 . 1 1 14 14 ASN CB C 13 37.869 0.04 . 1 . . . . 14 N CB . 16879 1
75 . 1 1 14 14 ASN N N 15 118.244 0.05 . 1 . . . . 14 N N . 16879 1
76 . 1 1 14 14 ASN ND2 N 15 107.614 0.05 . 1 . . . . 14 N ND2 . 16879 1
77 . 1 1 15 15 THR H H 1 7.395 0.02 . 1 . . . . 15 T HN . 16879 1
78 . 1 1 15 15 THR HA H 1 5.715 0.02 . 1 . . . . 15 T HA . 16879 1
79 . 1 1 15 15 THR HB H 1 4.073 0.02 . 1 . . . . 15 T HB . 16879 1
80 . 1 1 15 15 THR HG21 H 1 1.275 0.02 . 1 . . . . 15 T HG21 . 16879 1
81 . 1 1 15 15 THR HG22 H 1 1.275 0.02 . 1 . . . . 15 T HG21 . 16879 1
82 . 1 1 15 15 THR HG23 H 1 1.275 0.02 . 1 . . . . 15 T HG21 . 16879 1
83 . 1 1 15 15 THR C C 13 174.296 0.04 . 1 . . . . 15 T C . 16879 1
84 . 1 1 15 15 THR CA C 13 60.135 0.04 . 1 . . . . 15 T CA . 16879 1
85 . 1 1 15 15 THR CB C 13 71.268 0.04 . 1 . . . . 15 T CB . 16879 1
86 . 1 1 15 15 THR CG2 C 13 21.329 0.04 . 1 . . . . 15 T CG2 . 16879 1
87 . 1 1 15 15 THR N N 15 111.687 0.05 . 1 . . . . 15 T N . 16879 1
88 . 1 1 16 16 PHE H H 1 8.825 0.02 . 1 . . . . 16 F HN . 16879 1
89 . 1 1 16 16 PHE HA H 1 4.945 0.02 . 1 . . . . 16 F HA . 16879 1
90 . 1 1 16 16 PHE HB2 H 1 2.916 0.02 . 2 . . . . 16 F HB1 . 16879 1
91 . 1 1 16 16 PHE HB3 H 1 3.328 0.02 . 2 . . . . 16 F HB2 . 16879 1
92 . 1 1 16 16 PHE HD1 H 1 6.868 0.02 . 3 . . . . 16 F HD1 . 16879 1
93 . 1 1 16 16 PHE HE1 H 1 7.107 0.02 . 3 . . . . 16 F HE1 . 16879 1
94 . 1 1 16 16 PHE C C 13 171.211 0.04 . 1 . . . . 16 F C . 16879 1
95 . 1 1 16 16 PHE CA C 13 55.799 0.04 . 1 . . . . 16 F CA . 16879 1
96 . 1 1 16 16 PHE CB C 13 39.275 0.04 . 1 . . . . 16 F CB . 16879 1
97 . 1 1 16 16 PHE N N 15 121.408 0.05 . 1 . . . . 16 F N . 16879 1
98 . 1 1 17 17 GLU H H 1 8.763 0.02 . 1 . . . . 17 E HN . 16879 1
99 . 1 1 17 17 GLU HA H 1 5.454 0.02 . 1 . . . . 17 E HA . 16879 1
100 . 1 1 17 17 GLU HB2 H 1 1.882 0.02 . 2 . . . . 17 E HB1 . 16879 1
101 . 1 1 17 17 GLU HB3 H 1 2.013 0.02 . 2 . . . . 17 E HB2 . 16879 1
102 . 1 1 17 17 GLU HG2 H 1 2.013 0.02 . 2 . . . . 17 E HG1 . 16879 1
103 . 1 1 17 17 GLU HG3 H 1 2.134 0.02 . 2 . . . . 17 E HG2 . 16879 1
104 . 1 1 17 17 GLU C C 13 175.928 0.04 . 1 . . . . 17 E C . 16879 1
105 . 1 1 17 17 GLU CA C 13 53.807 0.04 . 1 . . . . 17 E CA . 16879 1
106 . 1 1 17 17 GLU CB C 13 32.478 0.04 . 1 . . . . 17 E CB . 16879 1
107 . 1 1 17 17 GLU CG C 13 36.697 0.04 . 1 . . . . 17 E CG . 16879 1
108 . 1 1 17 17 GLU N N 15 122.411 0.05 . 1 . . . . 17 E N . 16879 1
109 . 1 1 18 18 VAL H H 1 9.085 0.02 . 1 . . . . 18 V HN . 16879 1
110 . 1 1 18 18 VAL HA H 1 4.408 0.02 . 1 . . . . 18 V HA . 16879 1
111 . 1 1 18 18 VAL HB H 1 1.864 0.02 . 1 . . . . 18 V HB . 16879 1
112 . 1 1 18 18 VAL HG11 H 1 1.002 0.02 . 1 . . . . 18 V HG11 . 16879 1
113 . 1 1 18 18 VAL HG12 H 1 1.002 0.02 . 1 . . . . 18 V HG11 . 16879 1
114 . 1 1 18 18 VAL HG13 H 1 1.002 0.02 . 1 . . . . 18 V HG11 . 16879 1
115 . 1 1 18 18 VAL HG21 H 1 1.055 0.02 . 1 . . . . 18 V HG21 . 16879 1
116 . 1 1 18 18 VAL HG22 H 1 1.055 0.02 . 1 . . . . 18 V HG21 . 16879 1
117 . 1 1 18 18 VAL HG23 H 1 1.055 0.02 . 1 . . . . 18 V HG21 . 16879 1
118 . 1 1 18 18 VAL C C 13 173.027 0.04 . 1 . . . . 18 V C . 16879 1
119 . 1 1 18 18 VAL CA C 13 61.073 0.04 . 1 . . . . 18 V CA . 16879 1
120 . 1 1 18 18 VAL CB C 13 35.525 0.04 . 1 . . . . 18 V CB . 16879 1
121 . 1 1 18 18 VAL CG1 C 13 20.877 0.04 . 2 . . . . 18 V CG1 . 16879 1
122 . 1 1 18 18 VAL CG2 C 13 22.400 0.04 . 2 . . . . 18 V CG2 . 16879 1
123 . 1 1 18 18 VAL N N 15 125.275 0.05 . 1 . . . . 18 V N . 16879 1
124 . 1 1 19 19 LYS H H 1 8.648 0.02 . 1 . . . . 19 K HN . 16879 1
125 . 1 1 19 19 LYS HA H 1 5.227 0.02 . 1 . . . . 19 K HA . 16879 1
126 . 1 1 19 19 LYS HB2 H 1 1.637 0.02 . 2 . . . . 19 K HB1 . 16879 1
127 . 1 1 19 19 LYS HB3 H 1 1.709 0.02 . 2 . . . . 19 K HB2 . 16879 1
128 . 1 1 19 19 LYS HG2 H 1 1.178 0.02 . 2 . . . . 19 K HG1 . 16879 1
129 . 1 1 19 19 LYS HG3 H 1 1.312 0.02 . 2 . . . . 19 K HG2 . 16879 1
130 . 1 1 19 19 LYS C C 13 175.017 0.04 . 1 . . . . 19 K C . 16879 1
131 . 1 1 19 19 LYS CA C 13 54.744 0.04 . 1 . . . . 19 K CA . 16879 1
132 . 1 1 19 19 LYS CB C 13 33.057 0.04 . 1 . . . . 19 K CB . 16879 1
133 . 1 1 19 19 LYS CG C 13 24.509 0.04 . 1 . . . . 19 K CG . 16879 1
134 . 1 1 19 19 LYS N N 15 128.088 0.05 . 1 . . . . 19 K N . 16879 1
135 . 1 1 20 20 LEU H H 1 8.890 0.02 . 1 . . . . 20 L HN . 16879 1
136 . 1 1 20 20 LEU HA H 1 4.864 0.02 . 1 . . . . 20 L HA . 16879 1
137 . 1 1 20 20 LEU HB2 H 1 1.323 0.02 . 2 . . . . 20 L HB1 . 16879 1
138 . 1 1 20 20 LEU HB3 H 1 1.700 0.02 . 2 . . . . 20 L HB2 . 16879 1
139 . 1 1 20 20 LEU HD11 H 1 1.017 0.02 . 1 . . . . 20 L HD11 . 16879 1
140 . 1 1 20 20 LEU HD12 H 1 1.017 0.02 . 1 . . . . 20 L HD11 . 16879 1
141 . 1 1 20 20 LEU HD13 H 1 1.017 0.02 . 1 . . . . 20 L HD11 . 16879 1
142 . 1 1 20 20 LEU HG H 1 1.461 0.02 . 1 . . . . 20 L HG . 16879 1
143 . 1 1 20 20 LEU C C 13 174.297 0.04 . 1 . . . . 20 L C . 16879 1
144 . 1 1 20 20 LEU CA C 13 52.309 0.04 . 1 . . . . 20 L CA . 16879 1
145 . 1 1 20 20 LEU CB C 13 46.072 0.04 . 1 . . . . 20 L CB . 16879 1
146 . 1 1 20 20 LEU CD1 C 13 23.455 0.04 . 2 . . . . 20 L CD1 . 16879 1
147 . 1 1 20 20 LEU CG C 13 26.619 0.04 . 1 . . . . 20 L CG . 16879 1
148 . 1 1 20 20 LEU N N 15 124.108 0.05 . 1 . . . . 20 L N . 16879 1
149 . 1 1 21 21 PHE H H 1 8.690 0.02 . 1 . . . . 21 F HN . 16879 1
150 . 1 1 21 21 PHE HA H 1 5.123 0.02 . 1 . . . . 21 F HA . 16879 1
151 . 1 1 21 21 PHE HB2 H 1 2.945 0.02 . 2 . . . . 21 F HB1 . 16879 1
152 . 1 1 21 21 PHE HB3 H 1 3.088 0.02 . 2 . . . . 21 F HB2 . 16879 1
153 . 1 1 21 21 PHE HD1 H 1 7.307 0.02 . 3 . . . . 21 F HD1 . 16879 1
154 . 1 1 21 21 PHE C C 13 177.018 0.04 . 1 . . . . 21 F C . 16879 1
155 . 1 1 21 21 PHE CA C 13 56.385 0.04 . 1 . . . . 21 F CA . 16879 1
156 . 1 1 21 21 PHE CB C 13 39.393 0.04 . 1 . . . . 21 F CB . 16879 1
157 . 1 1 21 21 PHE N N 15 122.111 0.05 . 1 . . . . 21 F N . 16879 1
158 . 1 1 22 22 LYS H H 1 8.356 0.02 . 1 . . . . 22 K HN . 16879 1
159 . 1 1 22 22 LYS HA H 1 4.200 0.02 . 1 . . . . 22 K HA . 16879 1
160 . 1 1 22 22 LYS HB2 H 1 1.825 0.02 . 2 . . . . 22 K HB1 . 16879 1
161 . 1 1 22 22 LYS HE2 H 1 2.934 0.02 . 2 . . . . 22 K HE1 . 16879 1
162 . 1 1 22 22 LYS HG2 H 1 1.445 0.02 . 2 . . . . 22 K HG1 . 16879 1
163 . 1 1 22 22 LYS C C 13 176.233 0.04 . 1 . . . . 22 K C . 16879 1
164 . 1 1 22 22 LYS CA C 13 56.502 0.04 . 1 . . . . 22 K CA . 16879 1
165 . 1 1 22 22 LYS CB C 13 33.416 0.04 . 1 . . . . 22 K CB . 16879 1
166 . 1 1 22 22 LYS CG C 13 24.392 0.04 . 1 . . . . 22 K CG . 16879 1
167 . 1 1 22 22 LYS N N 15 122.927 0.05 . 1 . . . . 22 K N . 16879 1
168 . 1 1 23 23 ASN H H 1 8.373 0.02 . 1 . . . . 23 N HN . 16879 1
169 . 1 1 23 23 ASN HA H 1 5.105 0.02 . 1 . . . . 23 N HA . 16879 1
170 . 1 1 23 23 ASN HB2 H 1 3.069 0.02 . 2 . . . . 23 N HB1 . 16879 1
171 . 1 1 23 23 ASN HB3 H 1 3.495 0.02 . 2 . . . . 23 N HB2 . 16879 1
172 . 1 1 23 23 ASN HD21 H 1 7.388 0.02 . 2 . . . . 23 N HD21 . 16879 1
173 . 1 1 23 23 ASN HD22 H 1 7.867 0.02 . 2 . . . . 23 N HD22 . 16879 1
174 . 1 1 23 23 ASN CA C 13 50.994 0.04 . 1 . . . . 23 N CA . 16879 1
175 . 1 1 23 23 ASN CB C 13 38.924 0.04 . 1 . . . . 23 N CB . 16879 1
176 . 1 1 23 23 ASN N N 15 121.232 0.05 . 1 . . . . 23 N N . 16879 1
177 . 1 1 23 23 ASN ND2 N 15 112.188 0.05 . 1 . . . . 23 N ND2 . 16879 1
178 . 1 1 24 24 SER C C 13 172.900 0.04 . 1 . . . . 24 S C . 16879 1
179 . 1 1 24 24 SER CA C 13 61.520 0.04 . 1 . . . . 24 S CA . 16879 1
180 . 1 1 24 24 SER CB C 13 69.398 0.04 . 1 . . . . 24 S CB . 16879 1
181 . 1 1 25 25 SER H H 1 7.812 0.02 . 1 . . . . 25 S HN . 16879 1
182 . 1 1 25 25 SER HA H 1 4.821 0.02 . 1 . . . . 25 S HA . 16879 1
183 . 1 1 25 25 SER HB2 H 1 4.022 0.02 . 2 . . . . 25 S HB1 . 16879 1
184 . 1 1 25 25 SER C C 13 173.675 0.04 . 1 . . . . 25 S C . 16879 1
185 . 1 1 25 25 SER CA C 13 58.643 0.04 . 1 . . . . 25 S CA . 16879 1
186 . 1 1 25 25 SER CB C 13 62.245 0.04 . 1 . . . . 25 S CB . 16879 1
187 . 1 1 25 25 SER N N 15 127.736 0.05 . 1 . . . . 25 S N . 16879 1
188 . 1 1 26 26 GLY H H 1 8.085 0.02 . 1 . . . . 26 G HN . 16879 1
189 . 1 1 26 26 GLY HA2 H 1 3.752 0.02 . 2 . . . . 26 G HA1 . 16879 1
190 . 1 1 26 26 GLY HA3 H 1 4.615 0.02 . 2 . . . . 26 G HA2 . 16879 1
191 . 1 1 26 26 GLY CA C 13 44.900 0.04 . 1 . . . . 26 G CA . 16879 1
192 . 1 1 26 26 GLY N N 15 111.145 0.05 . 1 . . . . 26 G N . 16879 1
193 . 1 1 27 27 LEU HA H 1 4.831 0.02 . 1 . . . . 27 L HA . 16879 1
194 . 1 1 27 27 LEU HB2 H 1 1.519 0.02 . 2 . . . . 27 L HB1 . 16879 1
195 . 1 1 27 27 LEU HD11 H 1 0.991 0.02 . 1 . . . . 27 L HD11 . 16879 1
196 . 1 1 27 27 LEU HD12 H 1 0.991 0.02 . 1 . . . . 27 L HD11 . 16879 1
197 . 1 1 27 27 LEU HD13 H 1 0.991 0.02 . 1 . . . . 27 L HD11 . 16879 1
198 . 1 1 27 27 LEU C C 13 177.355 0.04 . 1 . . . . 27 L C . 16879 1
199 . 1 1 27 27 LEU CA C 13 55.054 0.04 . 1 . . . . 27 L CA . 16879 1
200 . 1 1 27 27 LEU CB C 13 43.372 0.04 . 1 . . . . 27 L CB . 16879 1
201 . 1 1 28 28 GLY H H 1 8.810 0.02 . 1 . . . . 28 G HN . 16879 1
202 . 1 1 28 28 GLY HA2 H 1 4.176 0.02 . 2 . . . . 28 G HA1 . 16879 1
203 . 1 1 28 28 GLY HA3 H 1 4.609 0.02 . 2 . . . . 28 G HA2 . 16879 1
204 . 1 1 28 28 GLY C C 13 174.757 0.04 . 1 . . . . 28 G C . 16879 1
205 . 1 1 28 28 GLY CA C 13 45.955 0.04 . 1 . . . . 28 G CA . 16879 1
206 . 1 1 28 28 GLY N N 15 105.521 0.05 . 1 . . . . 28 G N . 16879 1
207 . 1 1 29 29 PHE H H 1 7.470 0.02 . 1 . . . . 29 F HN . 16879 1
208 . 1 1 29 29 PHE HA H 1 5.097 0.02 . 1 . . . . 29 F HA . 16879 1
209 . 1 1 29 29 PHE HB2 H 1 2.919 0.02 . 2 . . . . 29 F HB1 . 16879 1
210 . 1 1 29 29 PHE HB3 H 1 3.440 0.02 . 2 . . . . 29 F HB2 . 16879 1
211 . 1 1 29 29 PHE HD1 H 1 6.937 0.02 . 3 . . . . 29 F HD1 . 16879 1
212 . 1 1 29 29 PHE HE1 H 1 7.167 0.02 . 3 . . . . 29 F HE1 . 16879 1
213 . 1 1 29 29 PHE C C 13 172.749 0.04 . 1 . . . . 29 F C . 16879 1
214 . 1 1 29 29 PHE CA C 13 55.448 0.04 . 1 . . . . 29 F CA . 16879 1
215 . 1 1 29 29 PHE CB C 13 41.150 0.04 . 1 . . . . 29 F CB . 16879 1
216 . 1 1 29 29 PHE N N 15 117.190 0.05 . 1 . . . . 29 F N . 16879 1
217 . 1 1 30 30 SER H H 1 8.776 0.02 . 1 . . . . 30 S HN . 16879 1
218 . 1 1 30 30 SER HA H 1 5.164 0.02 . 1 . . . . 30 S HA . 16879 1
219 . 1 1 30 30 SER HB2 H 1 3.980 0.02 . 2 . . . . 30 S HB1 . 16879 1
220 . 1 1 30 30 SER C C 13 174.213 0.04 . 1 . . . . 30 S C . 16879 1
221 . 1 1 30 30 SER CA C 13 55.213 0.04 . 1 . . . . 30 S CA . 16879 1
222 . 1 1 30 30 SER CB C 13 65.174 0.04 . 1 . . . . 30 S CB . 16879 1
223 . 1 1 30 30 SER N N 15 116.314 0.05 . 1 . . . . 30 S N . 16879 1
224 . 1 1 31 31 PHE H H 1 8.636 0.02 . 1 . . . . 31 F HN . 16879 1
225 . 1 1 31 31 PHE HA H 1 5.995 0.02 . 1 . . . . 31 F HA . 16879 1
226 . 1 1 31 31 PHE HB2 H 1 2.778 0.02 . 2 . . . . 31 F HB1 . 16879 1
227 . 1 1 31 31 PHE HB3 H 1 3.298 0.02 . 2 . . . . 31 F HB2 . 16879 1
228 . 1 1 31 31 PHE HD1 H 1 7.007 0.02 . 3 . . . . 31 F HD1 . 16879 1
229 . 1 1 31 31 PHE HE1 H 1 7.286 0.02 . 3 . . . . 31 F HE1 . 16879 1
230 . 1 1 31 31 PHE C C 13 172.749 0.04 . 1 . . . . 31 F C . 16879 1
231 . 1 1 31 31 PHE CA C 13 54.979 0.04 . 1 . . . . 31 F CA . 16879 1
232 . 1 1 31 31 PHE CB C 13 42.557 0.04 . 1 . . . . 31 F CB . 16879 1
233 . 1 1 31 31 PHE N N 15 120.000 0.05 . 1 . . . . 31 F N . 16879 1
234 . 1 1 32 32 SER H H 1 9.524 0.02 . 1 . . . . 32 S HN . 16879 1
235 . 1 1 32 32 SER HA H 1 4.833 0.02 . 1 . . . . 32 S HA . 16879 1
236 . 1 1 32 32 SER HB2 H 1 3.662 0.02 . 2 . . . . 32 S HB1 . 16879 1
237 . 1 1 32 32 SER HB3 H 1 3.780 0.02 . 2 . . . . 32 S HB2 . 16879 1
238 . 1 1 32 32 SER C C 13 172.694 0.04 . 1 . . . . 32 S C . 16879 1
239 . 1 1 32 32 SER CA C 13 55.983 0.04 . 1 . . . . 32 S CA . 16879 1
240 . 1 1 32 32 SER CB C 13 65.526 0.04 . 1 . . . . 32 S CB . 16879 1
241 . 1 1 32 32 SER N N 15 116.775 0.05 . 1 . . . . 32 S N . 16879 1
242 . 1 1 33 33 ARG H H 1 9.060 0.02 . 1 . . . . 33 R HN . 16879 1
243 . 1 1 33 33 ARG HA H 1 5.254 0.02 . 1 . . . . 33 R HA . 16879 1
244 . 1 1 33 33 ARG HB2 H 1 2.131 0.02 . 2 . . . . 33 R HB1 . 16879 1
245 . 1 1 33 33 ARG HG2 H 1 1.684 0.02 . 2 . . . . 33 R HG1 . 16879 1
246 . 1 1 33 33 ARG CA C 13 55.096 0.04 . 1 . . . . 33 R CA . 16879 1
247 . 1 1 33 33 ARG N N 15 127.209 0.05 . 1 . . . . 33 R N . 16879 1
248 . 1 1 34 34 GLU H H 1 9.074 0.02 . 1 . . . . 34 E HN . 16879 1
249 . 1 1 34 34 GLU HA H 1 4.899 0.02 . 1 . . . . 34 E HA . 16879 1
250 . 1 1 34 34 GLU HB2 H 1 1.929 0.02 . 2 . . . . 34 E HB1 . 16879 1
251 . 1 1 34 34 GLU HB3 H 1 2.163 0.02 . 2 . . . . 34 E HB2 . 16879 1
252 . 1 1 34 34 GLU HG2 H 1 2.202 0.02 . 2 . . . . 34 E HG1 . 16879 1
253 . 1 1 34 34 GLU C C 13 175.140 0.04 . 1 . . . . 34 E C . 16879 1
254 . 1 1 34 34 GLU CA C 13 54.922 0.04 . 1 . . . . 34 E CA . 16879 1
255 . 1 1 34 34 GLU CB C 13 34.002 0.04 . 1 . . . . 34 E CB . 16879 1
256 . 1 1 35 35 ASP H H 1 8.916 0.02 . 1 . . . . 35 D HN . 16879 1
257 . 1 1 35 35 ASP HA H 1 4.854 0.02 . 1 . . . . 35 D HA . 16879 1
258 . 1 1 35 35 ASP HB2 H 1 3.088 0.02 . 2 . . . . 35 D HB1 . 16879 1
259 . 1 1 35 35 ASP C C 13 175.044 0.04 . 1 . . . . 35 D C . 16879 1
260 . 1 1 35 35 ASP CA C 13 53.104 0.04 . 1 . . . . 35 D CA . 16879 1
261 . 1 1 35 35 ASP CB C 13 42.439 0.04 . 1 . . . . 35 D CB . 16879 1
262 . 1 1 35 35 ASP N N 15 124.170 0.05 . 1 . . . . 35 D N . 16879 1
263 . 1 1 36 36 ASN H H 1 8.735 0.02 . 1 . . . . 36 N HN . 16879 1
264 . 1 1 36 36 ASN HA H 1 4.689 0.02 . 1 . . . . 36 N HA . 16879 1
265 . 1 1 36 36 ASN HB2 H 1 2.775 0.02 . 2 . . . . 36 N HB1 . 16879 1
266 . 1 1 36 36 ASN HB3 H 1 2.949 0.02 . 2 . . . . 36 N HB2 . 16879 1
267 . 1 1 36 36 ASN C C 13 174.655 0.04 . 1 . . . . 36 N C . 16879 1
268 . 1 1 36 36 ASN CA C 13 53.338 0.04 . 1 . . . . 36 N CA . 16879 1
269 . 1 1 36 36 ASN CB C 13 37.752 0.04 . 1 . . . . 36 N CB . 16879 1
270 . 1 1 36 36 ASN N N 15 117.014 0.05 . 1 . . . . 36 N N . 16879 1
271 . 1 1 37 37 LEU H H 1 8.592 0.02 . 1 . . . . 37 L HN . 16879 1
272 . 1 1 37 37 LEU HA H 1 4.216 0.02 . 1 . . . . 37 L HA . 16879 1
273 . 1 1 37 37 LEU HB2 H 1 1.466 0.02 . 2 . . . . 37 L HB1 . 16879 1
274 . 1 1 37 37 LEU HB3 H 1 1.750 0.02 . 2 . . . . 37 L HB2 . 16879 1
275 . 1 1 37 37 LEU HD11 H 1 0.846 0.02 . 1 . . . . 37 L HD11 . 16879 1
276 . 1 1 37 37 LEU HD12 H 1 0.846 0.02 . 1 . . . . 37 L HD11 . 16879 1
277 . 1 1 37 37 LEU HD13 H 1 0.846 0.02 . 1 . . . . 37 L HD11 . 16879 1
278 . 1 1 37 37 LEU HG H 1 1.056 0.02 . 1 . . . . 37 L HG . 16879 1
279 . 1 1 37 37 LEU C C 13 176.728 0.04 . 1 . . . . 37 L C . 16879 1
280 . 1 1 37 37 LEU CA C 13 56.268 0.04 . 1 . . . . 37 L CA . 16879 1
281 . 1 1 37 37 LEU CB C 13 42.791 0.04 . 1 . . . . 37 L CB . 16879 1
282 . 1 1 37 37 LEU CD1 C 13 23.103 0.04 . 2 . . . . 37 L CD1 . 16879 1
283 . 1 1 37 37 LEU N N 15 119.656 0.05 . 1 . . . . 37 L N . 16879 1
284 . 1 1 38 38 ILE H H 1 7.809 0.02 . 1 . . . . 38 I HN . 16879 1
285 . 1 1 38 38 ILE HA H 1 4.643 0.02 . 1 . . . . 38 I HA . 16879 1
286 . 1 1 38 38 ILE HB H 1 2.078 0.02 . 1 . . . . 38 I HB . 16879 1
287 . 1 1 38 38 ILE HD11 H 1 0.996 0.02 . 1 . . . . 38 I HD11 . 16879 1
288 . 1 1 38 38 ILE HD12 H 1 0.996 0.02 . 1 . . . . 38 I HD11 . 16879 1
289 . 1 1 38 38 ILE HD13 H 1 0.996 0.02 . 1 . . . . 38 I HD11 . 16879 1
290 . 1 1 38 38 ILE HG12 H 1 1.522 0.02 . 2 . . . . 38 I HG11 . 16879 1
291 . 1 1 38 38 ILE HG21 H 1 1.025 0.02 . 1 . . . . 38 I HG21 . 16879 1
292 . 1 1 38 38 ILE HG22 H 1 1.025 0.02 . 1 . . . . 38 I HG21 . 16879 1
293 . 1 1 38 38 ILE HG23 H 1 1.025 0.02 . 1 . . . . 38 I HG21 . 16879 1
294 . 1 1 38 38 ILE CA C 13 57.909 0.04 . 1 . . . . 38 I CA . 16879 1
295 . 1 1 38 38 ILE CB C 13 38.692 0.04 . 1 . . . . 38 I CB . 16879 1
296 . 1 1 38 38 ILE CD1 C 13 13.025 0.04 . 1 . . . . 38 I CD1 . 16879 1
297 . 1 1 38 38 ILE CG1 C 13 25.798 0.04 . 1 . . . . 38 I CG1 . 16879 1
298 . 1 1 38 38 ILE CG2 C 13 18.181 0.04 . 1 . . . . 38 I CG2 . 16879 1
299 . 1 1 38 38 ILE N N 15 115.085 0.05 . 1 . . . . 38 I N . 16879 1
300 . 1 1 39 39 PRO HA H 1 4.352 0.02 . 1 . . . . 39 P HA . 16879 1
301 . 1 1 39 39 PRO HB2 H 1 2.388 0.02 . 2 . . . . 39 P HB1 . 16879 1
302 . 1 1 39 39 PRO HD2 H 1 3.790 0.02 . 2 . . . . 39 P HD1 . 16879 1
303 . 1 1 39 39 PRO HD3 H 1 3.860 0.02 . 2 . . . . 39 P HD2 . 16879 1
304 . 1 1 39 39 PRO HG2 H 1 2.001 0.02 . 2 . . . . 39 P HG1 . 16879 1
305 . 1 1 39 39 PRO C C 13 177.005 0.04 . 1 . . . . 39 P C . 16879 1
306 . 1 1 39 39 PRO CA C 13 64.387 0.04 . 1 . . . . 39 P CA . 16879 1
307 . 1 1 39 39 PRO CB C 13 31.311 0.04 . 1 . . . . 39 P CB . 16879 1
308 . 1 1 39 39 PRO CD C 13 50.701 0.04 . 1 . . . . 39 P CD . 16879 1
309 . 1 1 40 40 GLU H H 1 8.654 0.02 . 1 . . . . 40 E HN . 16879 1
310 . 1 1 40 40 GLU HA H 1 4.203 0.02 . 1 . . . . 40 E HA . 16879 1
311 . 1 1 40 40 GLU HB2 H 1 2.184 0.02 . 2 . . . . 40 E HB1 . 16879 1
312 . 1 1 40 40 GLU HG2 H 1 2.313 0.02 . 2 . . . . 40 E HG1 . 16879 1
313 . 1 1 40 40 GLU C C 13 175.821 0.04 . 1 . . . . 40 E C . 16879 1
314 . 1 1 40 40 GLU CA C 13 56.710 0.04 . 1 . . . . 40 E CA . 16879 1
315 . 1 1 40 40 GLU CB C 13 28.494 0.04 . 1 . . . . 40 E CB . 16879 1
316 . 1 1 40 40 GLU CG C 13 36.199 0.04 . 1 . . . . 40 E CG . 16879 1
317 . 1 1 40 40 GLU N N 15 116.078 0.05 . 1 . . . . 40 E N . 16879 1
318 . 1 1 41 41 GLN H H 1 8.077 0.02 . 1 . . . . 41 Q HN . 16879 1
319 . 1 1 41 41 GLN HA H 1 4.532 0.02 . 1 . . . . 41 Q HA . 16879 1
320 . 1 1 41 41 GLN HB2 H 1 1.988 0.02 . 2 . . . . 41 Q HB1 . 16879 1
321 . 1 1 41 41 GLN HB3 H 1 2.272 0.02 . 2 . . . . 41 Q HB2 . 16879 1
322 . 1 1 41 41 GLN HE21 H 1 7.749 0.02 . 2 . . . . 41 Q HE21 . 16879 1
323 . 1 1 41 41 GLN HE22 H 1 7.351 0.02 . 2 . . . . 41 Q HE22 . 16879 1
324 . 1 1 41 41 GLN HG2 H 1 2.408 0.02 . 2 . . . . 41 Q HG1 . 16879 1
325 . 1 1 41 41 GLN C C 13 175.581 0.04 . 1 . . . . 41 Q C . 16879 1
326 . 1 1 41 41 GLN CA C 13 55.448 0.04 . 1 . . . . 41 Q CA . 16879 1
327 . 1 1 41 41 GLN CB C 13 28.884 0.04 . 1 . . . . 41 Q CB . 16879 1
328 . 1 1 41 41 GLN CG C 13 33.416 0.04 . 1 . . . . 41 Q CG . 16879 1
329 . 1 1 41 41 GLN N N 15 120.253 0.05 . 1 . . . . 41 Q N . 16879 1
330 . 1 1 42 42 ILE H H 1 8.296 0.02 . 1 . . . . 42 I HN . 16879 1
331 . 1 1 42 42 ILE HA H 1 4.324 0.02 . 1 . . . . 42 I HA . 16879 1
332 . 1 1 42 42 ILE HB H 1 1.980 0.02 . 1 . . . . 42 I HB . 16879 1
333 . 1 1 42 42 ILE HD11 H 1 0.925 0.02 . 1 . . . . 42 I HD11 . 16879 1
334 . 1 1 42 42 ILE HD12 H 1 0.925 0.02 . 1 . . . . 42 I HD11 . 16879 1
335 . 1 1 42 42 ILE HD13 H 1 0.925 0.02 . 1 . . . . 42 I HD11 . 16879 1
336 . 1 1 42 42 ILE HG12 H 1 1.261 0.02 . 1 . . . . 42 I HG11 . 16879 1
337 . 1 1 42 42 ILE HG13 H 1 1.538 0.02 . 1 . . . . 42 I HG12 . 16879 1
338 . 1 1 42 42 ILE HG21 H 1 0.980 0.02 . 1 . . . . 42 I HG21 . 16879 1
339 . 1 1 42 42 ILE HG22 H 1 0.980 0.02 . 1 . . . . 42 I HG21 . 16879 1
340 . 1 1 42 42 ILE HG23 H 1 0.980 0.02 . 1 . . . . 42 I HG21 . 16879 1
341 . 1 1 42 42 ILE CA C 13 61.073 0.04 . 1 . . . . 42 I CA . 16879 1
342 . 1 1 42 42 ILE CB C 13 38.221 0.04 . 1 . . . . 42 I CB . 16879 1
343 . 1 1 42 42 ILE CD1 C 13 12.908 0.04 . 1 . . . . 42 I CD1 . 16879 1
344 . 1 1 42 42 ILE CG1 C 13 26.853 0.04 . 1 . . . . 42 I CG1 . 16879 1
345 . 1 1 42 42 ILE N N 15 122.044 0.05 . 1 . . . . 42 I N . 16879 1
346 . 1 1 43 43 ASN HA H 1 4.910 0.02 . 1 . . . . 43 N HA . 16879 1
347 . 1 1 43 43 ASN HB2 H 1 2.867 0.02 . 2 . . . . 43 N HB1 . 16879 1
348 . 1 1 43 43 ASN HB3 H 1 2.973 0.02 . 2 . . . . 43 N HB2 . 16879 1
349 . 1 1 43 43 ASN C C 13 174.729 0.04 . 1 . . . . 43 N C . 16879 1
350 . 1 1 43 43 ASN CA C 13 52.987 0.04 . 1 . . . . 43 N CA . 16879 1
351 . 1 1 43 43 ASN CB C 13 38.807 0.04 . 1 . . . . 43 N CB . 16879 1
352 . 1 1 44 44 GLY H H 1 8.324 0.02 . 1 . . . . 44 G HN . 16879 1
353 . 1 1 44 44 GLY HA2 H 1 4.100 0.02 . 2 . . . . 44 G HA1 . 16879 1
354 . 1 1 44 44 GLY HA3 H 1 4.149 0.02 . 2 . . . . 44 G HA2 . 16879 1
355 . 1 1 44 44 GLY C C 13 173.305 0.04 . 1 . . . . 44 G C . 16879 1
356 . 1 1 44 44 GLY CA C 13 44.900 0.04 . 1 . . . . 44 G CA . 16879 1
357 . 1 1 44 44 GLY N N 15 108.509 0.05 . 1 . . . . 44 G N . 16879 1
358 . 1 1 45 45 SER H H 1 8.303 0.02 . 1 . . . . 45 S HN . 16879 1
359 . 1 1 45 45 SER HA H 1 4.638 0.02 . 1 . . . . 45 S HA . 16879 1
360 . 1 1 45 45 SER HB2 H 1 3.757 0.02 . 2 . . . . 45 S HB1 . 16879 1
361 . 1 1 45 45 SER HB3 H 1 3.941 0.02 . 2 . . . . 45 S HB2 . 16879 1
362 . 1 1 45 45 SER C C 13 173.454 0.04 . 1 . . . . 45 S C . 16879 1
363 . 1 1 45 45 SER CA C 13 58.612 0.04 . 1 . . . . 45 S CA . 16879 1
364 . 1 1 45 45 SER CB C 13 63.885 0.04 . 1 . . . . 45 S CB . 16879 1
365 . 1 1 45 45 SER N N 15 116.419 0.05 . 1 . . . . 45 S N . 16879 1
366 . 1 1 46 46 ILE H H 1 8.663 0.02 . 1 . . . . 46 I HN . 16879 1
367 . 1 1 46 46 ILE HA H 1 4.362 0.02 . 1 . . . . 46 I HA . 16879 1
368 . 1 1 46 46 ILE HB H 1 1.666 0.02 . 1 . . . . 46 I HB . 16879 1
369 . 1 1 46 46 ILE HD11 H 1 0.815 0.02 . 1 . . . . 46 I HD11 . 16879 1
370 . 1 1 46 46 ILE HD12 H 1 0.815 0.02 . 1 . . . . 46 I HD11 . 16879 1
371 . 1 1 46 46 ILE HD13 H 1 0.815 0.02 . 1 . . . . 46 I HD11 . 16879 1
372 . 1 1 46 46 ILE HG12 H 1 1.680 0.02 . 2 . . . . 46 I HG11 . 16879 1
373 . 1 1 46 46 ILE HG21 H 1 0.795 0.02 . 1 . . . . 46 I HG21 . 16879 1
374 . 1 1 46 46 ILE HG22 H 1 0.795 0.02 . 1 . . . . 46 I HG21 . 16879 1
375 . 1 1 46 46 ILE HG23 H 1 0.795 0.02 . 1 . . . . 46 I HG21 . 16879 1
376 . 1 1 46 46 ILE C C 13 173.564 0.04 . 1 . . . . 46 I C . 16879 1
377 . 1 1 46 46 ILE CA C 13 60.428 0.04 . 1 . . . . 46 I CA . 16879 1
378 . 1 1 46 46 ILE CB C 13 41.033 0.04 . 1 . . . . 46 I CB . 16879 1
379 . 1 1 46 46 ILE N N 15 122.111 0.05 . 1 . . . . 46 I N . 16879 1
380 . 1 1 47 47 VAL H H 1 9.611 0.02 . 1 . . . . 47 V HN . 16879 1
381 . 1 1 47 47 VAL HA H 1 5.171 0.02 . 1 . . . . 47 V HA . 16879 1
382 . 1 1 47 47 VAL HB H 1 2.145 0.02 . 1 . . . . 47 V HB . 16879 1
383 . 1 1 47 47 VAL HG11 H 1 0.783 0.02 . 1 . . . . 47 V HG11 . 16879 1
384 . 1 1 47 47 VAL HG12 H 1 0.783 0.02 . 1 . . . . 47 V HG11 . 16879 1
385 . 1 1 47 47 VAL HG13 H 1 0.783 0.02 . 1 . . . . 47 V HG11 . 16879 1
386 . 1 1 47 47 VAL HG21 H 1 0.980 0.02 . 1 . . . . 47 V HG21 . 16879 1
387 . 1 1 47 47 VAL HG22 H 1 0.980 0.02 . 1 . . . . 47 V HG21 . 16879 1
388 . 1 1 47 47 VAL HG23 H 1 0.980 0.02 . 1 . . . . 47 V HG21 . 16879 1
389 . 1 1 47 47 VAL C C 13 174.627 0.04 . 1 . . . . 47 V C . 16879 1
390 . 1 1 47 47 VAL CA C 13 60.604 0.04 . 1 . . . . 47 V CA . 16879 1
391 . 1 1 47 47 VAL CB C 13 32.010 0.04 . 1 . . . . 47 V CB . 16879 1
392 . 1 1 47 47 VAL CG1 C 13 21.345 0.04 . 2 . . . . 47 V CG1 . 16879 1
393 . 1 1 47 47 VAL CG2 C 13 21.931 0.04 . 2 . . . . 47 V CG2 . 16879 1
394 . 1 1 47 47 VAL N N 15 131.120 0.05 . 1 . . . . 47 V N . 16879 1
395 . 1 1 48 48 ARG H H 1 8.666 0.02 . 1 . . . . 48 R HN . 16879 1
396 . 1 1 48 48 ARG HA H 1 5.618 0.02 . 1 . . . . 48 R HA . 16879 1
397 . 1 1 48 48 ARG HB2 H 1 1.405 0.02 . 2 . . . . 48 R HB1 . 16879 1
398 . 1 1 48 48 ARG HB3 H 1 1.771 0.02 . 2 . . . . 48 R HB2 . 16879 1
399 . 1 1 48 48 ARG HG2 H 1 1.693 0.02 . 2 . . . . 48 R HG1 . 16879 1
400 . 1 1 48 48 ARG C C 13 175.766 0.04 . 1 . . . . 48 R C . 16879 1
401 . 1 1 48 48 ARG CA C 13 53.104 0.04 . 1 . . . . 48 R CA . 16879 1
402 . 1 1 48 48 ARG CB C 13 36.228 0.04 . 1 . . . . 48 R CB . 16879 1
403 . 1 1 48 48 ARG N N 15 123.797 0.05 . 1 . . . . 48 R N . 16879 1
404 . 1 1 49 49 VAL H H 1 8.705 0.02 . 1 . . . . 49 V HN . 16879 1
405 . 1 1 49 49 VAL HA H 1 3.675 0.02 . 1 . . . . 49 V HA . 16879 1
406 . 1 1 49 49 VAL HB H 1 2.069 0.02 . 1 . . . . 49 V HB . 16879 1
407 . 1 1 49 49 VAL HG11 H 1 0.362 0.02 . 1 . . . . 49 V HG11 . 16879 1
408 . 1 1 49 49 VAL HG12 H 1 0.362 0.02 . 1 . . . . 49 V HG11 . 16879 1
409 . 1 1 49 49 VAL HG13 H 1 0.362 0.02 . 1 . . . . 49 V HG11 . 16879 1
410 . 1 1 49 49 VAL HG21 H 1 0.567 0.02 . 1 . . . . 49 V HG21 . 16879 1
411 . 1 1 49 49 VAL HG22 H 1 0.567 0.02 . 1 . . . . 49 V HG21 . 16879 1
412 . 1 1 49 49 VAL HG23 H 1 0.567 0.02 . 1 . . . . 49 V HG21 . 16879 1
413 . 1 1 49 49 VAL C C 13 174.378 0.04 . 1 . . . . 49 V C . 16879 1
414 . 1 1 49 49 VAL CA C 13 64.002 0.04 . 1 . . . . 49 V CA . 16879 1
415 . 1 1 49 49 VAL CB C 13 31.072 0.04 . 1 . . . . 49 V CB . 16879 1
416 . 1 1 49 49 VAL CG1 C 13 19.587 0.04 . 2 . . . . 49 V CG1 . 16879 1
417 . 1 1 49 49 VAL CG2 C 13 20.759 0.04 . 2 . . . . 49 V CG2 . 16879 1
418 . 1 1 49 49 VAL N N 15 121.415 0.05 . 1 . . . . 49 V N . 16879 1
419 . 1 1 50 50 LYS H H 1 9.208 0.02 . 1 . . . . 50 K HN . 16879 1
420 . 1 1 50 50 LYS HA H 1 4.514 0.02 . 1 . . . . 50 K HA . 16879 1
421 . 1 1 50 50 LYS HB2 H 1 1.562 0.02 . 2 . . . . 50 K HB1 . 16879 1
422 . 1 1 50 50 LYS HB3 H 1 1.725 0.02 . 2 . . . . 50 K HB2 . 16879 1
423 . 1 1 50 50 LYS HD2 H 1 1.680 0.02 . 2 . . . . 50 K HD1 . 16879 1
424 . 1 1 50 50 LYS HE2 H 1 2.930 0.02 . 2 . . . . 50 K HE1 . 16879 1
425 . 1 1 50 50 LYS HG2 H 1 1.287 0.02 . 2 . . . . 50 K HG1 . 16879 1
426 . 1 1 50 50 LYS HG3 H 1 1.319 0.02 . 2 . . . . 50 K HG2 . 16879 1
427 . 1 1 50 50 LYS C C 13 173.841 0.04 . 1 . . . . 50 K C . 16879 1
428 . 1 1 50 50 LYS CA C 13 56.737 0.04 . 1 . . . . 50 K CA . 16879 1
429 . 1 1 50 50 LYS CB C 13 33.885 0.04 . 1 . . . . 50 K CB . 16879 1
430 . 1 1 50 50 LYS CD C 13 28.962 0.04 . 1 . . . . 50 K CD . 16879 1
431 . 1 1 50 50 LYS CE C 13 41.736 0.04 . 1 . . . . 50 K CE . 16879 1
432 . 1 1 50 50 LYS CG C 13 24.158 0.04 . 1 . . . . 50 K CG . 16879 1
433 . 1 1 50 50 LYS N N 15 131.853 0.05 . 1 . . . . 50 K N . 16879 1
434 . 1 1 51 51 LYS H H 1 7.242 0.02 . 1 . . . . 51 K HN . 16879 1
435 . 1 1 51 51 LYS HA H 1 4.329 0.02 . 1 . . . . 51 K HA . 16879 1
436 . 1 1 51 51 LYS HB2 H 1 1.664 0.02 . 2 . . . . 51 K HB1 . 16879 1
437 . 1 1 51 51 LYS HD2 H 1 2.022 0.02 . 2 . . . . 51 K HD1 . 16879 1
438 . 1 1 51 51 LYS HG2 H 1 1.070 0.02 . 2 . . . . 51 K HG1 . 16879 1
439 . 1 1 51 51 LYS HG3 H 1 1.320 0.02 . 2 . . . . 51 K HG2 . 16879 1
440 . 1 1 51 51 LYS C C 13 173.638 0.04 . 1 . . . . 51 K C . 16879 1
441 . 1 1 51 51 LYS CA C 13 55.565 0.04 . 1 . . . . 51 K CA . 16879 1
442 . 1 1 51 51 LYS CB C 13 35.642 0.04 . 1 . . . . 51 K CB . 16879 1
443 . 1 1 51 51 LYS CG C 13 24.627 0.04 . 1 . . . . 51 K CG . 16879 1
444 . 1 1 51 51 LYS N N 15 117.541 0.05 . 1 . . . . 51 K N . 16879 1
445 . 1 1 52 52 LEU H H 1 8.676 0.02 . 1 . . . . 52 L HN . 16879 1
446 . 1 1 52 52 LEU HA H 1 4.632 0.02 . 1 . . . . 52 L HA . 16879 1
447 . 1 1 52 52 LEU HB2 H 1 1.287 0.02 . 2 . . . . 52 L HB1 . 16879 1
448 . 1 1 52 52 LEU HB3 H 1 1.772 0.02 . 2 . . . . 52 L HB2 . 16879 1
449 . 1 1 52 52 LEU HD11 H 1 0.705 0.02 . 1 . . . . 52 L HD11 . 16879 1
450 . 1 1 52 52 LEU HD12 H 1 0.705 0.02 . 1 . . . . 52 L HD11 . 16879 1
451 . 1 1 52 52 LEU HD13 H 1 0.705 0.02 . 1 . . . . 52 L HD11 . 16879 1
452 . 1 1 52 52 LEU HD21 H 1 0.921 0.02 . 1 . . . . 52 L HD21 . 16879 1
453 . 1 1 52 52 LEU HD22 H 1 0.921 0.02 . 1 . . . . 52 L HD21 . 16879 1
454 . 1 1 52 52 LEU HD23 H 1 0.921 0.02 . 1 . . . . 52 L HD21 . 16879 1
455 . 1 1 52 52 LEU HG H 1 0.708 0.02 . 1 . . . . 52 L HG . 16879 1
456 . 1 1 52 52 LEU C C 13 175.655 0.04 . 1 . . . . 52 L C . 16879 1
457 . 1 1 52 52 LEU CA C 13 52.844 0.04 . 1 . . . . 52 L CA . 16879 1
458 . 1 1 52 52 LEU CB C 13 43.846 0.04 . 1 . . . . 52 L CB . 16879 1
459 . 1 1 52 52 LEU CD1 C 13 24.627 0.04 . 2 . . . . 52 L CD1 . 16879 1
460 . 1 1 52 52 LEU CD2 C 13 26.033 0.04 . 2 . . . . 52 L CD2 . 16879 1
461 . 1 1 52 52 LEU N N 15 124.855 0.05 . 1 . . . . 52 L N . 16879 1
462 . 1 1 53 53 PHE H H 1 7.575 0.02 . 1 . . . . 53 F HN . 16879 1
463 . 1 1 53 53 PHE HA H 1 5.150 0.02 . 1 . . . . 53 F HA . 16879 1
464 . 1 1 53 53 PHE HB2 H 1 2.631 0.02 . 2 . . . . 53 F HB1 . 16879 1
465 . 1 1 53 53 PHE HB3 H 1 3.384 0.02 . 2 . . . . 53 F HB2 . 16879 1
466 . 1 1 53 53 PHE CA C 13 53.338 0.04 . 1 . . . . 53 F CA . 16879 1
467 . 1 1 53 53 PHE CB C 13 37.049 0.04 . 1 . . . . 53 F CB . 16879 1
468 . 1 1 53 53 PHE N N 15 122.994 0.05 . 1 . . . . 53 F N . 16879 1
469 . 1 1 54 54 PRO HA H 1 4.824 0.02 . 1 . . . . 54 P HA . 16879 1
470 . 1 1 54 54 PRO HB2 H 1 2.401 0.02 . 2 . . . . 54 P HB1 . 16879 1
471 . 1 1 54 54 PRO HD2 H 1 3.952 0.02 . 2 . . . . 54 P HD1 . 16879 1
472 . 1 1 54 54 PRO HD3 H 1 4.204 0.02 . 2 . . . . 54 P HD2 . 16879 1
473 . 1 1 54 54 PRO HG2 H 1 2.068 0.02 . 2 . . . . 54 P HG1 . 16879 1
474 . 1 1 54 54 PRO HG3 H 1 2.239 0.02 . 2 . . . . 54 P HG2 . 16879 1
475 . 1 1 54 54 PRO C C 13 177.616 0.04 . 1 . . . . 54 P C . 16879 1
476 . 1 1 54 54 PRO CA C 13 63.671 0.04 . 1 . . . . 54 P CA . 16879 1
477 . 1 1 54 54 PRO CB C 13 31.421 0.04 . 1 . . . . 54 P CB . 16879 1
478 . 1 1 54 54 PRO CD C 13 50.887 0.04 . 1 . . . . 54 P CD . 16879 1
479 . 1 1 54 54 PRO CG C 13 27.322 0.04 . 1 . . . . 54 P CG . 16879 1
480 . 1 1 55 55 GLY H H 1 9.414 0.02 . 1 . . . . 55 G HN . 16879 1
481 . 1 1 55 55 GLY HA2 H 1 3.900 0.02 . 2 . . . . 55 G HA1 . 16879 1
482 . 1 1 55 55 GLY HA3 H 1 4.170 0.02 . 2 . . . . 55 G HA2 . 16879 1
483 . 1 1 55 55 GLY C C 13 173.120 0.04 . 1 . . . . 55 G C . 16879 1
484 . 1 1 55 55 GLY CA C 13 45.128 0.04 . 1 . . . . 55 G CA . 16879 1
485 . 1 1 55 55 GLY N N 15 111.421 0.05 . 1 . . . . 55 G N . 16879 1
486 . 1 1 56 56 GLN H H 1 7.282 0.02 . 1 . . . . 56 Q HN . 16879 1
487 . 1 1 56 56 GLN HA H 1 4.838 0.02 . 1 . . . . 56 Q HA . 16879 1
488 . 1 1 56 56 GLN HB2 H 1 2.557 0.02 . 2 . . . . 56 Q HB1 . 16879 1
489 . 1 1 56 56 GLN CA C 13 53.707 0.04 . 1 . . . . 56 Q CA . 16879 1
490 . 1 1 56 56 GLN N N 15 119.240 0.05 . 1 . . . . 56 Q N . 16879 1
491 . 1 1 57 57 PRO HA H 1 4.324 0.02 . 1 . . . . 57 P HA . 16879 1
492 . 1 1 57 57 PRO HB2 H 1 2.136 0.02 . 2 . . . . 57 P HB1 . 16879 1
493 . 1 1 57 57 PRO HB3 H 1 2.651 0.02 . 2 . . . . 57 P HB2 . 16879 1
494 . 1 1 57 57 PRO C C 13 179.080 0.04 . 1 . . . . 57 P C . 16879 1
495 . 1 1 57 57 PRO CA C 13 67.284 0.04 . 1 . . . . 57 P CA . 16879 1
496 . 1 1 57 57 PRO CB C 13 32.010 0.04 . 1 . . . . 57 P CB . 16879 1
497 . 1 1 58 58 ALA H H 1 8.446 0.02 . 1 . . . . 58 A HN . 16879 1
498 . 1 1 58 58 ALA HA H 1 4.112 0.02 . 1 . . . . 58 A HA . 16879 1
499 . 1 1 58 58 ALA HB1 H 1 1.471 0.02 . 1 . . . . 58 A HB1 . 16879 1
500 . 1 1 58 58 ALA HB2 H 1 1.471 0.02 . 1 . . . . 58 A HB1 . 16879 1
501 . 1 1 58 58 ALA HB3 H 1 1.471 0.02 . 1 . . . . 58 A HB1 . 16879 1
502 . 1 1 58 58 ALA C C 13 180.124 0.04 . 1 . . . . 58 A C . 16879 1
503 . 1 1 58 58 ALA CA C 13 55.682 0.04 . 1 . . . . 58 A CA . 16879 1
504 . 1 1 58 58 ALA CB C 13 18.650 0.04 . 1 . . . . 58 A CB . 16879 1
505 . 1 1 58 58 ALA N N 15 119.299 0.05 . 1 . . . . 58 A N . 16879 1
506 . 1 1 59 59 ALA H H 1 10.300 0.02 . 1 . . . . 59 A HN . 16879 1
507 . 1 1 59 59 ALA HA H 1 4.174 0.02 . 1 . . . . 59 A HA . 16879 1
508 . 1 1 59 59 ALA HB1 H 1 1.622 0.02 . 1 . . . . 59 A HB1 . 16879 1
509 . 1 1 59 59 ALA HB2 H 1 1.622 0.02 . 1 . . . . 59 A HB1 . 16879 1
510 . 1 1 59 59 ALA HB3 H 1 1.622 0.02 . 1 . . . . 59 A HB1 . 16879 1
511 . 1 1 59 59 ALA C C 13 179.874 0.04 . 1 . . . . 59 A C . 16879 1
512 . 1 1 59 59 ALA CA C 13 54.862 0.04 . 1 . . . . 59 A CA . 16879 1
513 . 1 1 59 59 ALA CB C 13 18.884 0.04 . 1 . . . . 59 A CB . 16879 1
514 . 1 1 59 59 ALA N N 15 127.332 0.05 . 1 . . . . 59 A N . 16879 1
515 . 1 1 60 60 GLU H H 1 8.428 0.02 . 1 . . . . 60 E HN . 16879 1
516 . 1 1 60 60 GLU HA H 1 4.095 0.02 . 1 . . . . 60 E HA . 16879 1
517 . 1 1 60 60 GLU HB2 H 1 2.030 0.02 . 2 . . . . 60 E HB1 . 16879 1
518 . 1 1 60 60 GLU HB3 H 1 2.144 0.02 . 2 . . . . 60 E HB2 . 16879 1
519 . 1 1 60 60 GLU HG2 H 1 2.214 0.02 . 2 . . . . 60 E HG1 . 16879 1
520 . 1 1 60 60 GLU HG3 H 1 2.303 0.02 . 2 . . . . 60 E HG2 . 16879 1
521 . 1 1 60 60 GLU C C 13 177.986 0.04 . 1 . . . . 60 E C . 16879 1
522 . 1 1 60 60 GLU CA C 13 57.909 0.04 . 1 . . . . 60 E CA . 16879 1
523 . 1 1 60 60 GLU CB C 13 29.549 0.04 . 1 . . . . 60 E CB . 16879 1
524 . 1 1 60 60 GLU CG C 13 36.697 0.04 . 1 . . . . 60 E CG . 16879 1
525 . 1 1 60 60 GLU N N 15 117.303 0.05 . 1 . . . . 60 E N . 16879 1
526 . 1 1 61 61 SER H H 1 7.836 0.02 . 1 . . . . 61 S HN . 16879 1
527 . 1 1 61 61 SER HA H 1 4.288 0.02 . 1 . . . . 61 S HA . 16879 1
528 . 1 1 61 61 SER HB2 H 1 4.115 0.02 . 2 . . . . 61 S HB1 . 16879 1
529 . 1 1 61 61 SER C C 13 175.433 0.04 . 1 . . . . 61 S C . 16879 1
530 . 1 1 61 61 SER CA C 13 60.838 0.04 . 1 . . . . 61 S CA . 16879 1
531 . 1 1 61 61 SER CB C 13 63.885 0.04 . 1 . . . . 61 S CB . 16879 1
532 . 1 1 61 61 SER N N 15 113.796 0.05 . 1 . . . . 61 S N . 16879 1
533 . 1 1 62 62 GLY H H 1 7.364 0.02 . 1 . . . . 62 G HN . 16879 1
534 . 1 1 62 62 GLY HA2 H 1 4.005 0.02 . 2 . . . . 62 G HA1 . 16879 1
535 . 1 1 62 62 GLY HA3 H 1 4.190 0.02 . 2 . . . . 62 G HA2 . 16879 1
536 . 1 1 62 62 GLY C C 13 174.378 0.04 . 1 . . . . 62 G C . 16879 1
537 . 1 1 62 62 GLY CA C 13 46.424 0.04 . 1 . . . . 62 G CA . 16879 1
538 . 1 1 62 62 GLY N N 15 109.462 0.05 . 1 . . . . 62 G N . 16879 1
539 . 1 1 63 63 LYS H H 1 7.855 0.02 . 1 . . . . 63 K HN . 16879 1
540 . 1 1 63 63 LYS HA H 1 4.362 0.02 . 1 . . . . 63 K HA . 16879 1
541 . 1 1 63 63 LYS HB2 H 1 1.541 0.02 . 2 . . . . 63 K HB1 . 16879 1
542 . 1 1 63 63 LYS HB3 H 1 2.049 0.02 . 2 . . . . 63 K HB2 . 16879 1
543 . 1 1 63 63 LYS HD2 H 1 1.783 0.02 . 2 . . . . 63 K HD1 . 16879 1
544 . 1 1 63 63 LYS HE2 H 1 3.111 0.02 . 2 . . . . 63 K HE1 . 16879 1
545 . 1 1 63 63 LYS HG2 H 1 1.028 0.02 . 2 . . . . 63 K HG1 . 16879 1
546 . 1 1 63 63 LYS C C 13 174.378 0.04 . 1 . . . . 63 K C . 16879 1
547 . 1 1 63 63 LYS CA C 13 55.682 0.04 . 1 . . . . 63 K CA . 16879 1
548 . 1 1 63 63 LYS CB C 13 35.760 0.04 . 1 . . . . 63 K CB . 16879 1
549 . 1 1 63 63 LYS CD C 13 28.611 0.04 . 1 . . . . 63 K CD . 16879 1
550 . 1 1 63 63 LYS CE C 13 41.853 0.04 . 1 . . . . 63 K CE . 16879 1
551 . 1 1 63 63 LYS CG C 13 26.384 0.04 . 1 . . . . 63 K CG . 16879 1
552 . 1 1 63 63 LYS N N 15 118.190 0.05 . 1 . . . . 63 K N . 16879 1
553 . 1 1 64 64 ILE H H 1 7.815 0.02 . 1 . . . . 64 I HN . 16879 1
554 . 1 1 64 64 ILE HA H 1 4.316 0.02 . 1 . . . . 64 I HA . 16879 1
555 . 1 1 64 64 ILE HB H 1 1.314 0.02 . 1 . . . . 64 I HB . 16879 1
556 . 1 1 64 64 ILE HD11 H 1 0.769 0.02 . 1 . . . . 64 I HD11 . 16879 1
557 . 1 1 64 64 ILE HD12 H 1 0.769 0.02 . 1 . . . . 64 I HD11 . 16879 1
558 . 1 1 64 64 ILE HD13 H 1 0.769 0.02 . 1 . . . . 64 I HD11 . 16879 1
559 . 1 1 64 64 ILE HG12 H 1 1.700 0.02 . 2 . . . . 64 I HG11 . 16879 1
560 . 1 1 64 64 ILE HG21 H 1 0.688 0.02 . 1 . . . . 64 I HG21 . 16879 1
561 . 1 1 64 64 ILE HG22 H 1 0.688 0.02 . 1 . . . . 64 I HG21 . 16879 1
562 . 1 1 64 64 ILE HG23 H 1 0.688 0.02 . 1 . . . . 64 I HG21 . 16879 1
563 . 1 1 64 64 ILE C C 13 172.823 0.04 . 1 . . . . 64 I C . 16879 1
564 . 1 1 64 64 ILE CA C 13 59.784 0.04 . 1 . . . . 64 I CA . 16879 1
565 . 1 1 64 64 ILE CB C 13 40.564 0.04 . 1 . . . . 64 I CB . 16879 1
566 . 1 1 64 64 ILE CD1 C 13 13.962 0.04 . 1 . . . . 64 I CD1 . 16879 1
567 . 1 1 64 64 ILE CG2 C 13 17.478 0.04 . 1 . . . . 64 I CG2 . 16879 1
568 . 1 1 64 64 ILE N N 15 117.541 0.05 . 1 . . . . 64 I N . 16879 1
569 . 1 1 65 65 ASP H H 1 9.124 0.02 . 1 . . . . 65 D HN . 16879 1
570 . 1 1 65 65 ASP HA H 1 5.005 0.02 . 1 . . . . 65 D HA . 16879 1
571 . 1 1 65 65 ASP HB2 H 1 2.559 0.02 . 2 . . . . 65 D HB1 . 16879 1
572 . 1 1 65 65 ASP C C 13 175.858 0.04 . 1 . . . . 65 D C . 16879 1
573 . 1 1 65 65 ASP CA C 13 51.229 0.04 . 1 . . . . 65 D CA . 16879 1
574 . 1 1 65 65 ASP CB C 13 42.557 0.04 . 1 . . . . 65 D CB . 16879 1
575 . 1 1 65 65 ASP N N 15 129.494 0.05 . 1 . . . . 65 D N . 16879 1
576 . 1 1 66 66 VAL H H 1 8.505 0.02 . 1 . . . . 66 V HN . 16879 1
577 . 1 1 66 66 VAL HA H 1 3.213 0.02 . 1 . . . . 66 V HA . 16879 1
578 . 1 1 66 66 VAL HB H 1 1.846 0.02 . 1 . . . . 66 V HB . 16879 1
579 . 1 1 66 66 VAL HG11 H 1 0.955 0.02 . 1 . . . . 66 V HG11 . 16879 1
580 . 1 1 66 66 VAL HG12 H 1 0.955 0.02 . 1 . . . . 66 V HG11 . 16879 1
581 . 1 1 66 66 VAL HG13 H 1 0.955 0.02 . 1 . . . . 66 V HG11 . 16879 1
582 . 1 1 66 66 VAL C C 13 177.603 0.04 . 1 . . . . 66 V C . 16879 1
583 . 1 1 66 66 VAL CA C 13 64.823 0.04 . 1 . . . . 66 V CA . 16879 1
584 . 1 1 66 66 VAL CB C 13 31.189 0.04 . 1 . . . . 66 V CB . 16879 1
585 . 1 1 66 66 VAL CG1 C 13 22.166 0.04 . 2 . . . . 66 V CG1 . 16879 1
586 . 1 1 66 66 VAL N N 15 120.462 0.05 . 1 . . . . 66 V N . 16879 1
587 . 1 1 67 67 GLY H H 1 9.493 0.02 . 1 . . . . 67 G HN . 16879 1
588 . 1 1 67 67 GLY HA2 H 1 3.351 0.02 . 2 . . . . 67 G HA1 . 16879 1
589 . 1 1 67 67 GLY HA3 H 1 4.564 0.02 . 2 . . . . 67 G HA2 . 16879 1
590 . 1 1 67 67 GLY C C 13 173.508 0.04 . 1 . . . . 67 G C . 16879 1
591 . 1 1 67 67 GLY CA C 13 43.963 0.04 . 1 . . . . 67 G CA . 16879 1
592 . 1 1 67 67 GLY N N 15 117.825 0.05 . 1 . . . . 67 G N . 16879 1
593 . 1 1 68 68 ASP H H 1 7.855 0.02 . 1 . . . . 68 D HN . 16879 1
594 . 1 1 68 68 ASP HA H 1 4.721 0.02 . 1 . . . . 68 D HA . 16879 1
595 . 1 1 68 68 ASP HB2 H 1 2.451 0.02 . 2 . . . . 68 D HB1 . 16879 1
596 . 1 1 68 68 ASP HB3 H 1 2.553 0.02 . 2 . . . . 68 D HB2 . 16879 1
597 . 1 1 68 68 ASP C C 13 174.851 0.04 . 1 . . . . 68 D C . 16879 1
598 . 1 1 68 68 ASP CA C 13 67.166 0.04 . 1 . . . . 68 D CA . 16879 1
599 . 1 1 68 68 ASP CB C 13 40.447 0.04 . 1 . . . . 68 D CB . 16879 1
600 . 1 1 68 68 ASP N N 15 122.639 0.05 . 1 . . . . 68 D N . 16879 1
601 . 1 1 69 69 VAL H H 1 9.071 0.02 . 1 . . . . 69 V HN . 16879 1
602 . 1 1 69 69 VAL HA H 1 4.470 0.02 . 1 . . . . 69 V HA . 16879 1
603 . 1 1 69 69 VAL HB H 1 2.168 0.02 . 1 . . . . 69 V HB . 16879 1
604 . 1 1 69 69 VAL HG11 H 1 0.776 0.02 . 1 . . . . 69 V HG11 . 16879 1
605 . 1 1 69 69 VAL HG12 H 1 0.776 0.02 . 1 . . . . 69 V HG11 . 16879 1
606 . 1 1 69 69 VAL HG13 H 1 0.776 0.02 . 1 . . . . 69 V HG11 . 16879 1
607 . 1 1 69 69 VAL HG21 H 1 0.973 0.02 . 1 . . . . 69 V HG21 . 16879 1
608 . 1 1 69 69 VAL HG22 H 1 0.973 0.02 . 1 . . . . 69 V HG21 . 16879 1
609 . 1 1 69 69 VAL HG23 H 1 0.973 0.02 . 1 . . . . 69 V HG21 . 16879 1
610 . 1 1 69 69 VAL C C 13 175.544 0.04 . 1 . . . . 69 V C . 16879 1
611 . 1 1 69 69 VAL CA C 13 60.838 0.04 . 1 . . . . 69 V CA . 16879 1
612 . 1 1 69 69 VAL CB C 13 33.416 0.04 . 1 . . . . 69 V CB . 16879 1
613 . 1 1 69 69 VAL CG1 C 13 21.228 0.04 . 2 . . . . 69 V CG1 . 16879 1
614 . 1 1 69 69 VAL CG2 C 13 21.228 0.04 . 2 . . . . 69 V CG2 . 16879 1
615 . 1 1 69 69 VAL N N 15 122.411 0.05 . 1 . . . . 69 V N . 16879 1
616 . 1 1 70 70 ILE H H 1 8.844 0.02 . 1 . . . . 70 I HN . 16879 1
617 . 1 1 70 70 ILE HA H 1 4.137 0.02 . 1 . . . . 70 I HA . 16879 1
618 . 1 1 70 70 ILE HB H 1 1.634 0.02 . 1 . . . . 70 I HB . 16879 1
619 . 1 1 70 70 ILE HD11 H 1 0.589 0.02 . 1 . . . . 70 I HD11 . 16879 1
620 . 1 1 70 70 ILE HD12 H 1 0.589 0.02 . 1 . . . . 70 I HD11 . 16879 1
621 . 1 1 70 70 ILE HD13 H 1 0.589 0.02 . 1 . . . . 70 I HD11 . 16879 1
622 . 1 1 70 70 ILE HG12 H 1 1.452 0.02 . 2 . . . . 70 I HG11 . 16879 1
623 . 1 1 70 70 ILE HG21 H 1 0.618 0.02 . 1 . . . . 70 I HG21 . 16879 1
624 . 1 1 70 70 ILE HG22 H 1 0.618 0.02 . 1 . . . . 70 I HG21 . 16879 1
625 . 1 1 70 70 ILE HG23 H 1 0.618 0.02 . 1 . . . . 70 I HG21 . 16879 1
626 . 1 1 70 70 ILE C C 13 174.008 0.04 . 1 . . . . 70 I C . 16879 1
627 . 1 1 70 70 ILE CA C 13 60.955 0.04 . 1 . . . . 70 I CA . 16879 1
628 . 1 1 70 70 ILE CB C 13 36.463 0.04 . 1 . . . . 70 I CB . 16879 1
629 . 1 1 70 70 ILE CD1 C 13 13.494 0.04 . 1 . . . . 70 I CD1 . 16879 1
630 . 1 1 70 70 ILE CG1 C 13 26.267 0.04 . 1 . . . . 70 I CG1 . 16879 1
631 . 1 1 70 70 ILE CG2 C 13 19.353 0.04 . 1 . . . . 70 I CG2 . 16879 1
632 . 1 1 70 70 ILE N N 15 126.154 0.05 . 1 . . . . 70 I N . 16879 1
633 . 1 1 71 71 LEU H H 1 9.198 0.02 . 1 . . . . 71 L HN . 16879 1
634 . 1 1 71 71 LEU HA H 1 4.511 0.02 . 1 . . . . 71 L HA . 16879 1
635 . 1 1 71 71 LEU HB2 H 1 1.622 0.02 . 2 . . . . 71 L HB1 . 16879 1
636 . 1 1 71 71 LEU HD11 H 1 0.960 0.02 . 1 . . . . 71 L HD11 . 16879 1
637 . 1 1 71 71 LEU HD12 H 1 0.960 0.02 . 1 . . . . 71 L HD11 . 16879 1
638 . 1 1 71 71 LEU HD13 H 1 0.960 0.02 . 1 . . . . 71 L HD11 . 16879 1
639 . 1 1 71 71 LEU C C 13 178.930 0.04 . 1 . . . . 71 L C . 16879 1
640 . 1 1 71 71 LEU CA C 13 56.385 0.04 . 1 . . . . 71 L CA . 16879 1
641 . 1 1 71 71 LEU CB C 13 43.025 0.04 . 1 . . . . 71 L CB . 16879 1
642 . 1 1 71 71 LEU N N 15 126.554 0.05 . 1 . . . . 71 L N . 16879 1
643 . 1 1 72 72 LYS H H 1 7.847 0.02 . 1 . . . . 72 K HN . 16879 1
644 . 1 1 72 72 LYS HA H 1 5.304 0.02 . 1 . . . . 72 K HA . 16879 1
645 . 1 1 72 72 LYS HB2 H 1 1.234 0.02 . 2 . . . . 72 K HB1 . 16879 1
646 . 1 1 72 72 LYS HG2 H 1 0.863 0.02 . 2 . . . . 72 K HG1 . 16879 1
647 . 1 1 72 72 LYS C C 13 174.267 0.04 . 1 . . . . 72 K C . 16879 1
648 . 1 1 72 72 LYS CA C 13 54.510 0.04 . 1 . . . . 72 K CA . 16879 1
649 . 1 1 72 72 LYS CB C 13 38.807 0.04 . 1 . . . . 72 K CB . 16879 1
650 . 1 1 72 72 LYS N N 15 115.025 0.05 . 1 . . . . 72 K N . 16879 1
651 . 1 1 73 73 VAL H H 1 8.385 0.02 . 1 . . . . 73 V HN . 16879 1
652 . 1 1 73 73 VAL HA H 1 4.577 0.02 . 1 . . . . 73 V HA . 16879 1
653 . 1 1 73 73 VAL HB H 1 1.792 0.02 . 1 . . . . 73 V HB . 16879 1
654 . 1 1 73 73 VAL HG11 H 1 0.830 0.02 . 1 . . . . 73 V HG11 . 16879 1
655 . 1 1 73 73 VAL HG12 H 1 0.830 0.02 . 1 . . . . 73 V HG11 . 16879 1
656 . 1 1 73 73 VAL HG13 H 1 0.830 0.02 . 1 . . . . 73 V HG11 . 16879 1
657 . 1 1 73 73 VAL C C 13 175.639 0.04 . 1 . . . . 73 V C . 16879 1
658 . 1 1 73 73 VAL CA C 13 60.369 0.04 . 1 . . . . 73 V CA . 16879 1
659 . 1 1 73 73 VAL CB C 13 33.181 0.04 . 1 . . . . 73 V CB . 16879 1
660 . 1 1 73 73 VAL CG1 C 13 20.525 0.04 . 2 . . . . 73 V CG1 . 16879 1
661 . 1 1 73 73 VAL N N 15 118.983 0.05 . 1 . . . . 73 V N . 16879 1
662 . 1 1 74 74 ASN H H 1 10.165 0.02 . 1 . . . . 74 N HN . 16879 1
663 . 1 1 74 74 ASN HA H 1 4.584 0.02 . 1 . . . . 74 N HA . 16879 1
664 . 1 1 74 74 ASN HB2 H 1 2.980 0.02 . 2 . . . . 74 N HB1 . 16879 1
665 . 1 1 74 74 ASN HB3 H 1 3.252 0.02 . 2 . . . . 74 N HB2 . 16879 1
666 . 1 1 74 74 ASN HD21 H 1 6.947 0.02 . 2 . . . . 74 N HD21 . 16879 1
667 . 1 1 74 74 ASN HD22 H 1 8.078 0.02 . 2 . . . . 74 N HD22 . 16879 1
668 . 1 1 74 74 ASN C C 13 175.192 0.04 . 1 . . . . 74 N C . 16879 1
669 . 1 1 74 74 ASN CA C 13 54.041 0.04 . 1 . . . . 74 N CA . 16879 1
670 . 1 1 74 74 ASN CB C 13 36.580 0.04 . 1 . . . . 74 N CB . 16879 1
671 . 1 1 74 74 ASN N N 15 129.953 0.05 . 1 . . . . 74 N N . 16879 1
672 . 1 1 74 74 ASN ND2 N 15 113.576 0.05 . 1 . . . . 74 N ND2 . 16879 1
673 . 1 1 75 75 GLY H H 1 9.089 0.02 . 1 . . . . 75 G HN . 16879 1
674 . 1 1 75 75 GLY HA2 H 1 3.452 0.02 . 2 . . . . 75 G HA1 . 16879 1
675 . 1 1 75 75 GLY HA3 H 1 4.261 0.02 . 2 . . . . 75 G HA2 . 16879 1
676 . 1 1 75 75 GLY C C 13 172.362 0.04 . 1 . . . . 75 G C . 16879 1
677 . 1 1 75 75 GLY CA C 13 44.901 0.04 . 1 . . . . 75 G CA . 16879 1
678 . 1 1 75 75 GLY N N 15 103.834 0.05 . 1 . . . . 75 G N . 16879 1
679 . 1 1 76 76 ALA H H 1 8.079 0.02 . 1 . . . . 76 A HN . 16879 1
680 . 1 1 76 76 ALA HA H 1 5.025 0.02 . 1 . . . . 76 A HA . 16879 1
681 . 1 1 76 76 ALA HB1 H 1 1.457 0.02 . 1 . . . . 76 A HB1 . 16879 1
682 . 1 1 76 76 ALA HB2 H 1 1.967 0.02 . 1 . . . . 76 A HB2 . 16879 1
683 . 1 1 76 76 ALA HB3 H 1 1.967 0.02 . 1 . . . . 76 A HB2 . 16879 1
684 . 1 1 76 76 ALA CA C 13 48.416 0.04 . 1 . . . . 76 A CA . 16879 1
685 . 1 1 76 76 ALA CB C 13 18.650 0.04 . 1 . . . . 76 A CB . 16879 1
686 . 1 1 76 76 ALA N N 15 127.152 0.05 . 1 . . . . 76 A N . 16879 1
687 . 1 1 77 77 PRO HA H 1 5.024 0.02 . 1 . . . . 77 P HA . 16879 1
688 . 1 1 77 77 PRO HB2 H 1 2.358 0.02 . 2 . . . . 77 P HB1 . 16879 1
689 . 1 1 77 77 PRO HD2 H 1 3.933 0.02 . 2 . . . . 77 P HD1 . 16879 1
690 . 1 1 77 77 PRO HD3 H 1 4.024 0.02 . 2 . . . . 77 P HD2 . 16879 1
691 . 1 1 77 77 PRO C C 13 177.255 0.04 . 1 . . . . 77 P C . 16879 1
692 . 1 1 77 77 PRO CA C 13 61.541 0.04 . 1 . . . . 77 P CA . 16879 1
693 . 1 1 77 77 PRO CB C 13 32.010 0.04 . 1 . . . . 77 P CB . 16879 1
694 . 1 1 77 77 PRO CD C 13 50.643 0.04 . 1 . . . . 77 P CD . 16879 1
695 . 1 1 78 78 LEU H H 1 7.610 0.02 . 1 . . . . 78 L HN . 16879 1
696 . 1 1 78 78 LEU HA H 1 4.421 0.02 . 1 . . . . 78 L HA . 16879 1
697 . 1 1 78 78 LEU HB2 H 1 1.484 0.02 . 2 . . . . 78 L HB1 . 16879 1
698 . 1 1 78 78 LEU HB3 H 1 1.807 0.02 . 2 . . . . 78 L HB2 . 16879 1
699 . 1 1 78 78 LEU HD11 H 1 0.720 0.02 . 1 . . . . 78 L HD11 . 16879 1
700 . 1 1 78 78 LEU HD12 H 1 0.720 0.02 . 1 . . . . 78 L HD11 . 16879 1
701 . 1 1 78 78 LEU HD13 H 1 0.720 0.02 . 1 . . . . 78 L HD11 . 16879 1
702 . 1 1 78 78 LEU C C 13 177.820 0.04 . 1 . . . . 78 L C . 16879 1
703 . 1 1 78 78 LEU CA C 13 54.510 0.04 . 1 . . . . 78 L CA . 16879 1
704 . 1 1 78 78 LEU CB C 13 41.502 0.04 . 1 . . . . 78 L CB . 16879 1
705 . 1 1 78 78 LEU CD1 C 13 22.166 0.04 . 2 . . . . 78 L CD1 . 16879 1
706 . 1 1 78 78 LEU N N 15 119.231 0.05 . 1 . . . . 78 L N . 16879 1
707 . 1 1 79 79 LYS H H 1 8.352 0.02 . 1 . . . . 79 K HN . 16879 1
708 . 1 1 79 79 LYS HA H 1 4.186 0.02 . 1 . . . . 79 K HA . 16879 1
709 . 1 1 79 79 LYS HB2 H 1 1.862 0.02 . 2 . . . . 79 K HB1 . 16879 1
710 . 1 1 79 79 LYS C C 13 177.074 0.04 . 1 . . . . 79 K C . 16879 1
711 . 1 1 79 79 LYS CA C 13 58.686 0.04 . 1 . . . . 79 K CA . 16879 1
712 . 1 1 79 79 LYS CB C 13 31.728 0.04 . 1 . . . . 79 K CB . 16879 1
713 . 1 1 79 79 LYS N N 15 123.342 0.05 . 1 . . . . 79 K N . 16879 1
714 . 1 1 80 80 GLY H H 1 8.449 0.02 . 1 . . . . 80 G HN . 16879 1
715 . 1 1 80 80 GLY HA2 H 1 3.930 0.02 . 2 . . . . 80 G HA1 . 16879 1
716 . 1 1 80 80 GLY HA3 H 1 4.175 0.02 . 2 . . . . 80 G HA2 . 16879 1
717 . 1 1 80 80 GLY C C 13 174.285 0.04 . 1 . . . . 80 G C . 16879 1
718 . 1 1 80 80 GLY CA C 13 45.252 0.04 . 1 . . . . 80 G CA . 16879 1
719 . 1 1 80 80 GLY N N 15 114.134 0.05 . 1 . . . . 80 G N . 16879 1
720 . 1 1 81 81 LEU H H 1 7.616 0.02 . 1 . . . . 81 L HN . 16879 1
721 . 1 1 81 81 LEU HA H 1 4.581 0.02 . 1 . . . . 81 L HA . 16879 1
722 . 1 1 81 81 LEU HB2 H 1 1.620 0.02 . 2 . . . . 81 L HB1 . 16879 1
723 . 1 1 81 81 LEU HB3 H 1 1.835 0.02 . 2 . . . . 81 L HB2 . 16879 1
724 . 1 1 81 81 LEU HD11 H 1 0.895 0.02 . 1 . . . . 81 L HD11 . 16879 1
725 . 1 1 81 81 LEU HD12 H 1 0.895 0.02 . 1 . . . . 81 L HD11 . 16879 1
726 . 1 1 81 81 LEU HD13 H 1 0.895 0.02 . 1 . . . . 81 L HD11 . 16879 1
727 . 1 1 81 81 LEU C C 13 178.412 0.04 . 1 . . . . 81 L C . 16879 1
728 . 1 1 81 81 LEU CA C 13 54.510 0.04 . 1 . . . . 81 L CA . 16879 1
729 . 1 1 81 81 LEU CB C 13 42.088 0.04 . 1 . . . . 81 L CB . 16879 1
730 . 1 1 81 81 LEU CD1 C 13 22.166 0.04 . 2 . . . . 81 L CD1 . 16879 1
731 . 1 1 81 81 LEU N N 15 121.697 0.05 . 1 . . . . 81 L N . 16879 1
732 . 1 1 82 82 SER H H 1 9.495 0.02 . 1 . . . . 82 S HN . 16879 1
733 . 1 1 82 82 SER HA H 1 4.359 0.02 . 1 . . . . 82 S HA . 16879 1
734 . 1 1 82 82 SER HB2 H 1 4.164 0.02 . 2 . . . . 82 S HB1 . 16879 1
735 . 1 1 82 82 SER C C 13 173.379 0.04 . 1 . . . . 82 S C . 16879 1
736 . 1 1 82 82 SER CA C 13 57.088 0.04 . 1 . . . . 82 S CA . 16879 1
737 . 1 1 82 82 SER CB C 13 64.471 0.04 . 1 . . . . 82 S CB . 16879 1
738 . 1 1 82 82 SER N N 15 120.291 0.05 . 1 . . . . 82 S N . 16879 1
739 . 1 1 83 83 GLN H H 1 9.317 0.02 . 1 . . . . 83 Q HN . 16879 1
740 . 1 1 83 83 GLN HA H 1 3.934 0.02 . 1 . . . . 83 Q HA . 16879 1
741 . 1 1 83 83 GLN HB2 H 1 2.155 0.02 . 2 . . . . 83 Q HB1 . 16879 1
742 . 1 1 83 83 GLN HB3 H 1 2.358 0.02 . 2 . . . . 83 Q HB2 . 16879 1
743 . 1 1 83 83 GLN HG2 H 1 2.425 0.02 . 2 . . . . 83 Q HG1 . 16879 1
744 . 1 1 83 83 GLN HG3 H 1 2.596 0.02 . 2 . . . . 83 Q HG2 . 16879 1
745 . 1 1 83 83 GLN C C 13 177.301 0.04 . 1 . . . . 83 Q C . 16879 1
746 . 1 1 83 83 GLN CA C 13 59.637 0.04 . 1 . . . . 83 Q CA . 16879 1
747 . 1 1 83 83 GLN CB C 13 27.791 0.04 . 1 . . . . 83 Q CB . 16879 1
748 . 1 1 83 83 GLN CG C 13 32.595 0.04 . 1 . . . . 83 Q CG . 16879 1
749 . 1 1 83 83 GLN N N 15 121.706 0.05 . 1 . . . . 83 Q N . 16879 1
750 . 1 1 84 84 GLN H H 1 8.667 0.02 . 1 . . . . 84 Q HN . 16879 1
751 . 1 1 84 84 GLN HA H 1 4.091 0.02 . 1 . . . . 84 Q HA . 16879 1
752 . 1 1 84 84 GLN HB2 H 1 2.068 0.02 . 2 . . . . 84 Q HB1 . 16879 1
753 . 1 1 84 84 GLN HB3 H 1 2.154 0.02 . 2 . . . . 84 Q HB2 . 16879 1
754 . 1 1 84 84 GLN HG2 H 1 2.493 0.02 . 2 . . . . 84 Q HG1 . 16879 1
755 . 1 1 84 84 GLN HG3 H 1 2.548 0.02 . 2 . . . . 84 Q HG2 . 16879 1
756 . 1 1 84 84 GLN C C 13 177.746 0.04 . 1 . . . . 84 Q C . 16879 1
757 . 1 1 84 84 GLN CA C 13 58.612 0.04 . 1 . . . . 84 Q CA . 16879 1
758 . 1 1 84 84 GLN CB C 13 27.556 0.04 . 1 . . . . 84 Q CB . 16879 1
759 . 1 1 84 84 GLN CG C 13 33.416 0.04 . 1 . . . . 84 Q CG . 16879 1
760 . 1 1 84 84 GLN N N 15 116.789 0.05 . 1 . . . . 84 Q N . 16879 1
761 . 1 1 85 85 ASP H H 1 7.869 0.02 . 1 . . . . 85 D HN . 16879 1
762 . 1 1 85 85 ASP HA H 1 4.582 0.02 . 1 . . . . 85 D HA . 16879 1
763 . 1 1 85 85 ASP HB2 H 1 2.662 0.02 . 2 . . . . 85 D HB1 . 16879 1
764 . 1 1 85 85 ASP HB3 H 1 2.924 0.02 . 2 . . . . 85 D HB2 . 16879 1
765 . 1 1 85 85 ASP C C 13 178.893 0.04 . 1 . . . . 85 D C . 16879 1
766 . 1 1 85 85 ASP CA C 13 56.737 0.04 . 1 . . . . 85 D CA . 16879 1
767 . 1 1 85 85 ASP CB C 13 39.978 0.04 . 1 . . . . 85 D CB . 16879 1
768 . 1 1 85 85 ASP N N 15 121.760 0.05 . 1 . . . . 85 D N . 16879 1
769 . 1 1 86 86 VAL H H 1 8.511 0.02 . 1 . . . . 86 V HN . 16879 1
770 . 1 1 86 86 VAL HA H 1 3.423 0.02 . 1 . . . . 86 V HA . 16879 1
771 . 1 1 86 86 VAL HB H 1 2.216 0.02 . 1 . . . . 86 V HB . 16879 1
772 . 1 1 86 86 VAL HG11 H 1 0.396 0.02 . 1 . . . . 86 V HG11 . 16879 1
773 . 1 1 86 86 VAL HG12 H 1 0.396 0.02 . 1 . . . . 86 V HG11 . 16879 1
774 . 1 1 86 86 VAL HG13 H 1 0.396 0.02 . 1 . . . . 86 V HG11 . 16879 1
775 . 1 1 86 86 VAL HG21 H 1 0.998 0.02 . 1 . . . . 86 V HG21 . 16879 1
776 . 1 1 86 86 VAL HG22 H 1 0.998 0.02 . 1 . . . . 86 V HG21 . 16879 1
777 . 1 1 86 86 VAL HG23 H 1 0.998 0.02 . 1 . . . . 86 V HG21 . 16879 1
778 . 1 1 86 86 VAL C C 13 176.669 0.04 . 1 . . . . 86 V C . 16879 1
779 . 1 1 86 86 VAL CA C 13 67.166 0.04 . 1 . . . . 86 V CA . 16879 1
780 . 1 1 86 86 VAL CB C 13 30.955 0.04 . 1 . . . . 86 V CB . 16879 1
781 . 1 1 86 86 VAL CG1 C 13 21.814 0.04 . 2 . . . . 86 V CG1 . 16879 1
782 . 1 1 86 86 VAL CG2 C 13 24.041 0.04 . 2 . . . . 86 V CG2 . 16879 1
783 . 1 1 86 86 VAL N N 15 124.929 0.05 . 1 . . . . 86 V N . 16879 1
784 . 1 1 87 87 ILE H H 1 8.086 0.02 . 1 . . . . 87 I HN . 16879 1
785 . 1 1 87 87 ILE HA H 1 3.658 0.02 . 1 . . . . 87 I HA . 16879 1
786 . 1 1 87 87 ILE HB H 1 2.098 0.02 . 1 . . . . 87 I HB . 16879 1
787 . 1 1 87 87 ILE HD11 H 1 1.054 0.02 . 1 . . . . 87 I HD11 . 16879 1
788 . 1 1 87 87 ILE HD12 H 1 1.054 0.02 . 1 . . . . 87 I HD11 . 16879 1
789 . 1 1 87 87 ILE HD13 H 1 1.054 0.02 . 1 . . . . 87 I HD11 . 16879 1
790 . 1 1 87 87 ILE HG12 H 1 1.404 0.02 . 2 . . . . 87 I HG11 . 16879 1
791 . 1 1 87 87 ILE HG21 H 1 1.024 0.02 . 1 . . . . 87 I HG21 . 16879 1
792 . 1 1 87 87 ILE HG22 H 1 1.024 0.02 . 1 . . . . 87 I HG21 . 16879 1
793 . 1 1 87 87 ILE HG23 H 1 1.024 0.02 . 1 . . . . 87 I HG21 . 16879 1
794 . 1 1 87 87 ILE C C 13 178.560 0.04 . 1 . . . . 87 I C . 16879 1
795 . 1 1 87 87 ILE CA C 13 65.620 0.04 . 1 . . . . 87 I CA . 16879 1
796 . 1 1 87 87 ILE CB C 13 37.517 0.04 . 1 . . . . 87 I CB . 16879 1
797 . 1 1 87 87 ILE CD1 C 13 13.259 0.04 . 1 . . . . 87 I CD1 . 16879 1
798 . 1 1 87 87 ILE CG1 C 13 29.431 0.04 . 1 . . . . 87 I CG1 . 16879 1
799 . 1 1 87 87 ILE CG2 C 13 16.277 0.04 . 1 . . . . 87 I CG2 . 16879 1
800 . 1 1 87 87 ILE N N 15 119.938 0.05 . 1 . . . . 87 I N . 16879 1
801 . 1 1 88 88 SER H H 1 8.144 0.02 . 1 . . . . 88 S HN . 16879 1
802 . 1 1 88 88 SER HA H 1 4.164 0.02 . 1 . . . . 88 S HA . 16879 1
803 . 1 1 88 88 SER HB2 H 1 3.980 0.02 . 2 . . . . 88 S HB1 . 16879 1
804 . 1 1 88 88 SER HB3 H 1 4.032 0.02 . 2 . . . . 88 S HB2 . 16879 1
805 . 1 1 88 88 SER C C 13 174.600 0.04 . 1 . . . . 88 S C . 16879 1
806 . 1 1 88 88 SER CA C 13 61.307 0.04 . 1 . . . . 88 S CA . 16879 1
807 . 1 1 88 88 SER CB C 13 62.479 0.04 . 1 . . . . 88 S CB . 16879 1
808 . 1 1 88 88 SER N N 15 113.860 0.05 . 1 . . . . 88 S N . 16879 1
809 . 1 1 89 89 ALA H H 1 7.958 0.02 . 1 . . . . 89 A HN . 16879 1
810 . 1 1 89 89 ALA HA H 1 4.127 0.02 . 1 . . . . 89 A HA . 16879 1
811 . 1 1 89 89 ALA HB1 H 1 1.395 0.02 . 1 . . . . 89 A HB1 . 16879 1
812 . 1 1 89 89 ALA HB2 H 1 1.395 0.02 . 1 . . . . 89 A HB1 . 16879 1
813 . 1 1 89 89 ALA HB3 H 1 1.395 0.02 . 1 . . . . 89 A HB1 . 16879 1
814 . 1 1 89 89 ALA C C 13 179.337 0.04 . 1 . . . . 89 A C . 16879 1
815 . 1 1 89 89 ALA CA C 13 54.276 0.04 . 1 . . . . 89 A CA . 16879 1
816 . 1 1 89 89 ALA CB C 13 16.892 0.04 . 1 . . . . 89 A CB . 16879 1
817 . 1 1 89 89 ALA N N 15 124.577 0.05 . 1 . . . . 89 A N . 16879 1
818 . 1 1 90 90 LEU H H 1 7.853 0.02 . 1 . . . . 90 L HN . 16879 1
819 . 1 1 90 90 LEU HA H 1 4.079 0.02 . 1 . . . . 90 L HA . 16879 1
820 . 1 1 90 90 LEU HB2 H 1 1.457 0.02 . 2 . . . . 90 L HB1 . 16879 1
821 . 1 1 90 90 LEU HB3 H 1 1.786 0.02 . 2 . . . . 90 L HB2 . 16879 1
822 . 1 1 90 90 LEU HD11 H 1 0.420 0.02 . 1 . . . . 90 L HD11 . 16879 1
823 . 1 1 90 90 LEU HD12 H 1 0.420 0.02 . 1 . . . . 90 L HD11 . 16879 1
824 . 1 1 90 90 LEU HD13 H 1 0.420 0.02 . 1 . . . . 90 L HD11 . 16879 1
825 . 1 1 90 90 LEU HD21 H 1 0.783 0.02 . 1 . . . . 90 L HD21 . 16879 1
826 . 1 1 90 90 LEU HD22 H 1 0.783 0.02 . 1 . . . . 90 L HD21 . 16879 1
827 . 1 1 90 90 LEU HD23 H 1 0.783 0.02 . 1 . . . . 90 L HD21 . 16879 1
828 . 1 1 90 90 LEU HG H 1 1.610 0.02 . 1 . . . . 90 L HG . 16879 1
829 . 1 1 90 90 LEU C C 13 176.885 0.04 . 1 . . . . 90 L C . 16879 1
830 . 1 1 90 90 LEU CA C 13 55.916 0.04 . 1 . . . . 90 L CA . 16879 1
831 . 1 1 90 90 LEU CB C 13 41.502 0.04 . 1 . . . . 90 L CB . 16879 1
832 . 1 1 90 90 LEU CD1 C 13 25.798 0.04 . 2 . . . . 90 L CD1 . 16879 1
833 . 1 1 90 90 LEU CD2 C 13 23.455 0.04 . 2 . . . . 90 L CD2 . 16879 1
834 . 1 1 90 90 LEU CG C 13 26.619 0.04 . 1 . . . . 90 L CG . 16879 1
835 . 1 1 90 90 LEU N N 15 116.078 0.05 . 1 . . . . 90 L N . 16879 1
836 . 1 1 91 91 ARG H H 1 7.816 0.02 . 1 . . . . 91 R HN . 16879 1
837 . 1 1 91 91 ARG HA H 1 4.398 0.02 . 1 . . . . 91 R HA . 16879 1
838 . 1 1 91 91 ARG HB2 H 1 1.925 0.02 . 2 . . . . 91 R HB1 . 16879 1
839 . 1 1 91 91 ARG HB3 H 1 2.040 0.02 . 2 . . . . 91 R HB2 . 16879 1
840 . 1 1 91 91 ARG HD2 H 1 3.259 0.02 . 2 . . . . 91 R HD1 . 16879 1
841 . 1 1 91 91 ARG HG2 H 1 1.739 0.02 . 2 . . . . 91 R HG1 . 16879 1
842 . 1 1 91 91 ARG HG3 H 1 1.890 0.02 . 2 . . . . 91 R HG2 . 16879 1
843 . 1 1 91 91 ARG C C 13 176.897 0.04 . 1 . . . . 91 R C . 16879 1
844 . 1 1 91 91 ARG CA C 13 56.619 0.04 . 1 . . . . 91 R CA . 16879 1
845 . 1 1 91 91 ARG CB C 13 29.783 0.04 . 1 . . . . 91 R CB . 16879 1
846 . 1 1 91 91 ARG CD C 13 43.260 0.04 . 1 . . . . 91 R CD . 16879 1
847 . 1 1 91 91 ARG CG C 13 27.205 0.04 . 1 . . . . 91 R CG . 16879 1
848 . 1 1 91 91 ARG N N 15 119.435 0.05 . 1 . . . . 91 R N . 16879 1
849 . 1 1 92 92 GLY H H 1 7.726 0.02 . 1 . . . . 92 G HN . 16879 1
850 . 1 1 92 92 GLY HA2 H 1 4.071 0.02 . 2 . . . . 92 G HA1 . 16879 1
851 . 1 1 92 92 GLY C C 13 173.580 0.04 . 1 . . . . 92 G C . 16879 1
852 . 1 1 92 92 GLY CA C 13 44.666 0.04 . 1 . . . . 92 G CA . 16879 1
853 . 1 1 92 92 GLY N N 15 106.399 0.05 . 1 . . . . 92 G N . 16879 1
854 . 1 1 93 93 THR H H 1 8.203 0.02 . 1 . . . . 93 T HN . 16879 1
855 . 1 1 93 93 THR HA H 1 4.317 0.02 . 1 . . . . 93 T HA . 16879 1
856 . 1 1 93 93 THR HB H 1 4.424 0.02 . 1 . . . . 93 T HB . 16879 1
857 . 1 1 93 93 THR HG21 H 1 1.246 0.02 . 1 . . . . 93 T HG21 . 16879 1
858 . 1 1 93 93 THR HG22 H 1 1.246 0.02 . 1 . . . . 93 T HG21 . 16879 1
859 . 1 1 93 93 THR HG23 H 1 1.246 0.02 . 1 . . . . 93 T HG21 . 16879 1
860 . 1 1 93 93 THR C C 13 174.097 0.04 . 1 . . . . 93 T C . 16879 1
861 . 1 1 93 93 THR CA C 13 61.776 0.04 . 1 . . . . 93 T CA . 16879 1
862 . 1 1 93 93 THR CB C 13 69.276 0.04 . 1 . . . . 93 T CB . 16879 1
863 . 1 1 93 93 THR CG2 C 13 21.570 0.04 . 1 . . . . 93 T CG2 . 16879 1
864 . 1 1 93 93 THR N N 15 111.389 0.05 . 1 . . . . 93 T N . 16879 1
865 . 1 1 94 94 ALA H H 1 8.074 0.02 . 1 . . . . 94 A HN . 16879 1
866 . 1 1 94 94 ALA HA H 1 4.698 0.02 . 1 . . . . 94 A HA . 16879 1
867 . 1 1 94 94 ALA HB1 H 1 1.414 0.02 . 1 . . . . 94 A HB1 . 16879 1
868 . 1 1 94 94 ALA HB2 H 1 1.414 0.02 . 1 . . . . 94 A HB1 . 16879 1
869 . 1 1 94 94 ALA HB3 H 1 1.414 0.02 . 1 . . . . 94 A HB1 . 16879 1
870 . 1 1 94 94 ALA CA C 13 50.291 0.04 . 1 . . . . 94 A CA . 16879 1
871 . 1 1 94 94 ALA CB C 13 17.478 0.04 . 1 . . . . 94 A CB . 16879 1
872 . 1 1 94 94 ALA N N 15 127.141 0.05 . 1 . . . . 94 A N . 16879 1
873 . 1 1 95 95 PRO HA H 1 4.265 0.02 . 1 . . . . 95 P HA . 16879 1
874 . 1 1 95 95 PRO HB2 H 1 2.420 0.02 . 2 . . . . 95 P HB1 . 16879 1
875 . 1 1 95 95 PRO HD2 H 1 3.907 0.02 . 2 . . . . 95 P HD1 . 16879 1
876 . 1 1 95 95 PRO HG2 H 1 1.965 0.02 . 2 . . . . 95 P HG1 . 16879 1
877 . 1 1 95 95 PRO HG3 H 1 2.167 0.02 . 2 . . . . 95 P HG2 . 16879 1
878 . 1 1 95 95 PRO C C 13 175.433 0.04 . 1 . . . . 95 P C . 16879 1
879 . 1 1 95 95 PRO CA C 13 64.588 0.04 . 1 . . . . 95 P CA . 16879 1
880 . 1 1 95 95 PRO CB C 13 31.892 0.04 . 1 . . . . 95 P CB . 16879 1
881 . 1 1 96 96 GLU H H 1 7.254 0.02 . 1 . . . . 96 E HN . 16879 1
882 . 1 1 96 96 GLU HA H 1 4.706 0.02 . 1 . . . . 96 E HA . 16879 1
883 . 1 1 96 96 GLU HB2 H 1 1.669 0.02 . 2 . . . . 96 E HB1 . 16879 1
884 . 1 1 96 96 GLU HB3 H 1 1.791 0.02 . 2 . . . . 96 E HB2 . 16879 1
885 . 1 1 96 96 GLU HG2 H 1 1.698 0.02 . 2 . . . . 96 E HG1 . 16879 1
886 . 1 1 96 96 GLU HG3 H 1 1.813 0.02 . 2 . . . . 96 E HG2 . 16879 1
887 . 1 1 96 96 GLU C C 13 174.822 0.04 . 1 . . . . 96 E C . 16879 1
888 . 1 1 96 96 GLU CA C 13 54.276 0.04 . 1 . . . . 96 E CA . 16879 1
889 . 1 1 96 96 GLU CB C 13 31.072 0.04 . 1 . . . . 96 E CB . 16879 1
890 . 1 1 96 96 GLU CG C 13 35.994 0.04 . 1 . . . . 96 E CG . 16879 1
891 . 1 1 96 96 GLU N N 15 115.608 0.05 . 1 . . . . 96 E N . 16879 1
892 . 1 1 97 97 VAL H H 1 9.058 0.02 . 1 . . . . 97 V HN . 16879 1
893 . 1 1 97 97 VAL HA H 1 4.568 0.02 . 1 . . . . 97 V HA . 16879 1
894 . 1 1 97 97 VAL HB H 1 1.904 0.02 . 1 . . . . 97 V HB . 16879 1
895 . 1 1 97 97 VAL HG11 H 1 0.907 0.02 . 1 . . . . 97 V HG11 . 16879 1
896 . 1 1 97 97 VAL HG12 H 1 0.907 0.02 . 1 . . . . 97 V HG11 . 16879 1
897 . 1 1 97 97 VAL HG13 H 1 0.907 0.02 . 1 . . . . 97 V HG11 . 16879 1
898 . 1 1 97 97 VAL HG21 H 1 0.973 0.02 . 1 . . . . 97 V HG21 . 16879 1
899 . 1 1 97 97 VAL HG22 H 1 0.973 0.02 . 1 . . . . 97 V HG21 . 16879 1
900 . 1 1 97 97 VAL HG23 H 1 0.973 0.02 . 1 . . . . 97 V HG21 . 16879 1
901 . 1 1 97 97 VAL C C 13 173.860 0.04 . 1 . . . . 97 V C . 16879 1
902 . 1 1 97 97 VAL CA C 13 60.838 0.04 . 1 . . . . 97 V CA . 16879 1
903 . 1 1 97 97 VAL CB C 13 34.588 0.04 . 1 . . . . 97 V CB . 16879 1
904 . 1 1 97 97 VAL CG1 C 13 21.462 0.04 . 2 . . . . 97 V CG1 . 16879 1
905 . 1 1 97 97 VAL CG2 C 13 21.462 0.04 . 2 . . . . 97 V CG2 . 16879 1
906 . 1 1 97 97 VAL N N 15 126.510 0.05 . 1 . . . . 97 V N . 16879 1
907 . 1 1 98 98 SER H H 1 8.566 0.02 . 1 . . . . 98 S HN . 16879 1
908 . 1 1 98 98 SER HA H 1 5.043 0.02 . 1 . . . . 98 S HA . 16879 1
909 . 1 1 98 98 SER HB2 H 1 3.806 0.02 . 2 . . . . 98 S HB1 . 16879 1
910 . 1 1 98 98 SER C C 13 173.744 0.04 . 1 . . . . 98 S C . 16879 1
911 . 1 1 98 98 SER CA C 13 56.737 0.04 . 1 . . . . 98 S CA . 16879 1
912 . 1 1 98 98 SER CB C 13 63.182 0.04 . 1 . . . . 98 S CB . 16879 1
913 . 1 1 98 98 SER N N 15 121.589 0.05 . 1 . . . . 98 S N . 16879 1
914 . 1 1 99 99 LEU H H 1 9.335 0.02 . 1 . . . . 99 L HN . 16879 1
915 . 1 1 99 99 LEU HA H 1 5.090 0.02 . 1 . . . . 99 L HA . 16879 1
916 . 1 1 99 99 LEU HB2 H 1 1.182 0.02 . 2 . . . . 99 L HB1 . 16879 1
917 . 1 1 99 99 LEU HB3 H 1 1.910 0.02 . 2 . . . . 99 L HB2 . 16879 1
918 . 1 1 99 99 LEU HD11 H 1 0.875 0.02 . 1 . . . . 99 L HD11 . 16879 1
919 . 1 1 99 99 LEU HD12 H 1 0.875 0.02 . 1 . . . . 99 L HD11 . 16879 1
920 . 1 1 99 99 LEU HD13 H 1 0.875 0.02 . 1 . . . . 99 L HD11 . 16879 1
921 . 1 1 99 99 LEU HG H 1 1.704 0.02 . 1 . . . . 99 L HG . 16879 1
922 . 1 1 99 99 LEU C C 13 174.119 0.04 . 1 . . . . 99 L C . 16879 1
923 . 1 1 99 99 LEU CA C 13 52.869 0.04 . 1 . . . . 99 L CA . 16879 1
924 . 1 1 99 99 LEU CB C 13 43.846 0.04 . 1 . . . . 99 L CB . 16879 1
925 . 1 1 99 99 LEU CD1 C 13 25.418 0.04 . 2 . . . . 99 L CD1 . 16879 1
926 . 1 1 99 99 LEU CG C 13 26.384 0.04 . 1 . . . . 99 L CG . 16879 1
927 . 1 1 99 99 LEU N N 15 128.383 0.05 . 1 . . . . 99 L N . 16879 1
928 . 1 1 100 100 LEU H H 1 8.478 0.02 . 1 . . . . 100 L HN . 16879 1
929 . 1 1 100 100 LEU HA H 1 4.894 0.02 . 1 . . . . 100 L HA . 16879 1
930 . 1 1 100 100 LEU HB2 H 1 1.341 0.02 . 2 . . . . 100 L HB1 . 16879 1
931 . 1 1 100 100 LEU HB3 H 1 1.742 0.02 . 2 . . . . 100 L HB2 . 16879 1
932 . 1 1 100 100 LEU HD11 H 1 0.849 0.02 . 1 . . . . 100 L HD11 . 16879 1
933 . 1 1 100 100 LEU HD12 H 1 0.849 0.02 . 1 . . . . 100 L HD11 . 16879 1
934 . 1 1 100 100 LEU HD13 H 1 0.849 0.02 . 1 . . . . 100 L HD11 . 16879 1
935 . 1 1 100 100 LEU HD21 H 1 0.848 0.02 . 1 . . . . 100 L HD21 . 16879 1
936 . 1 1 100 100 LEU HD22 H 1 0.848 0.02 . 1 . . . . 100 L HD21 . 16879 1
937 . 1 1 100 100 LEU HD23 H 1 0.848 0.02 . 1 . . . . 100 L HD21 . 16879 1
938 . 1 1 100 100 LEU HG H 1 1.341 0.02 . 1 . . . . 100 L HG . 16879 1
939 . 1 1 100 100 LEU C C 13 174.462 0.04 . 1 . . . . 100 L C . 16879 1
940 . 1 1 100 100 LEU CA C 13 53.811 0.04 . 1 . . . . 100 L CA . 16879 1
941 . 1 1 100 100 LEU CB C 13 43.494 0.04 . 1 . . . . 100 L CB . 16879 1
942 . 1 1 100 100 LEU CD1 C 13 25.564 0.04 . 2 . . . . 100 L CD1 . 16879 1
943 . 1 1 100 100 LEU CD2 C 13 22.634 0.04 . 2 . . . . 100 L CD2 . 16879 1
944 . 1 1 100 100 LEU CG C 13 27.088 0.04 . 1 . . . . 100 L CG . 16879 1
945 . 1 1 100 100 LEU N N 15 125.578 0.05 . 1 . . . . 100 L N . 16879 1
946 . 1 1 101 101 LEU H H 1 9.051 0.02 . 1 . . . . 101 L HN . 16879 1
947 . 1 1 101 101 LEU HA H 1 5.345 0.02 . 1 . . . . 101 L HA . 16879 1
948 . 1 1 101 101 LEU HB2 H 1 0.483 0.02 . 2 . . . . 101 L HB1 . 16879 1
949 . 1 1 101 101 LEU HB3 H 1 0.936 0.02 . 2 . . . . 101 L HB2 . 16879 1
950 . 1 1 101 101 LEU HD11 H 1 0.682 0.02 . 1 . . . . 101 L HD11 . 16879 1
951 . 1 1 101 101 LEU HD12 H 1 0.682 0.02 . 1 . . . . 101 L HD11 . 16879 1
952 . 1 1 101 101 LEU HD13 H 1 0.682 0.02 . 1 . . . . 101 L HD11 . 16879 1
953 . 1 1 101 101 LEU HD21 H 1 0.727 0.02 . 1 . . . . 101 L HD21 . 16879 1
954 . 1 1 101 101 LEU HD22 H 1 0.727 0.02 . 1 . . . . 101 L HD21 . 16879 1
955 . 1 1 101 101 LEU HD23 H 1 0.727 0.02 . 1 . . . . 101 L HD21 . 16879 1
956 . 1 1 101 101 LEU HG H 1 1.261 0.02 . 1 . . . . 101 L HG . 16879 1
957 . 1 1 101 101 LEU C C 13 174.045 0.04 . 1 . . . . 101 L C . 16879 1
958 . 1 1 101 101 LEU CA C 13 52.987 0.04 . 1 . . . . 101 L CA . 16879 1
959 . 1 1 101 101 LEU CB C 13 44.783 0.04 . 1 . . . . 101 L CB . 16879 1
960 . 1 1 101 101 LEU CD1 C 13 25.989 0.04 . 2 . . . . 101 L CD1 . 16879 1
961 . 1 1 101 101 LEU CD2 C 13 27.205 0.04 . 2 . . . . 101 L CD2 . 16879 1
962 . 1 1 101 101 LEU CG C 13 27.361 0.04 . 1 . . . . 101 L CG . 16879 1
963 . 1 1 101 101 LEU N N 15 128.921 0.05 . 1 . . . . 101 L N . 16879 1
964 . 1 1 102 102 CYS H H 1 9.162 0.02 . 1 . . . . 102 C HN . 16879 1
965 . 1 1 102 102 CYS HA H 1 5.377 0.02 . 1 . . . . 102 C HA . 16879 1
966 . 1 1 102 102 CYS HB2 H 1 2.351 0.02 . 2 . . . . 102 C HB1 . 16879 1
967 . 1 1 102 102 CYS HB3 H 1 3.053 0.02 . 2 . . . . 102 C HB2 . 16879 1
968 . 1 1 102 102 CYS C C 13 172.453 0.04 . 1 . . . . 102 C C . 16879 1
969 . 1 1 102 102 CYS CA C 13 55.916 0.04 . 1 . . . . 102 C CA . 16879 1
970 . 1 1 102 102 CYS CB C 13 29.783 0.04 . 1 . . . . 102 C CB . 16879 1
971 . 1 1 102 102 CYS N N 15 117.753 0.05 . 1 . . . . 102 C N . 16879 1
972 . 1 1 103 103 ARG H H 1 8.783 0.02 . 1 . . . . 103 R HN . 16879 1
973 . 1 1 103 103 ARG HA H 1 5.200 0.02 . 1 . . . . 103 R HA . 16879 1
974 . 1 1 103 103 ARG HB2 H 1 2.029 0.02 . 2 . . . . 103 R HB1 . 16879 1
975 . 1 1 103 103 ARG HD2 H 1 3.022 0.02 . 2 . . . . 103 R HD1 . 16879 1
976 . 1 1 103 103 ARG HE H 1 7.389 0.02 . 1 . . . . 103 R HE . 16879 1
977 . 1 1 103 103 ARG HG2 H 1 1.606 0.02 . 2 . . . . 103 R HG1 . 16879 1
978 . 1 1 103 103 ARG CA C 13 52.049 0.04 . 1 . . . . 103 R CA . 16879 1
979 . 1 1 103 103 ARG N N 15 132.130 0.05 . 1 . . . . 103 R N . 16879 1
980 . 1 1 103 103 ARG NH1 N 15 76.029 0.05 . 2 . . . . 103 R NH1 . 16879 1
981 . 1 1 104 104 PRO HB2 H 1 1.907 0.02 . 2 . . . . 104 P HB1 . 16879 1
982 . 1 1 105 105 ALA H H 1 8.428 0.02 . 1 . . . . 105 A HN . 16879 1
983 . 1 1 105 105 ALA HA H 1 4.486 0.02 . 1 . . . . 105 A HA . 16879 1
984 . 1 1 105 105 ALA HB1 H 1 1.441 0.02 . 1 . . . . 105 A HB1 . 16879 1
985 . 1 1 105 105 ALA HB2 H 1 1.441 0.02 . 1 . . . . 105 A HB1 . 16879 1
986 . 1 1 105 105 ALA HB3 H 1 1.441 0.02 . 1 . . . . 105 A HB1 . 16879 1
987 . 1 1 105 105 ALA CA C 13 50.408 0.04 . 1 . . . . 105 A CA . 16879 1
988 . 1 1 105 105 ALA CB C 13 16.306 0.04 . 1 . . . . 105 A CB . 16879 1
989 . 1 1 105 105 ALA N N 15 125.032 0.05 . 1 . . . . 105 A N . 16879 1
990 . 1 1 106 106 PRO HA H 1 4.340 0.02 . 1 . . . . 106 P HA . 16879 1
991 . 1 1 106 106 PRO HB2 H 1 2.347 0.02 . 2 . . . . 106 P HB1 . 16879 1
992 . 1 1 106 106 PRO HD2 H 1 3.631 0.02 . 2 . . . . 106 P HD1 . 16879 1
993 . 1 1 106 106 PRO HD3 H 1 3.949 0.02 . 2 . . . . 106 P HD2 . 16879 1
994 . 1 1 106 106 PRO HG2 H 1 1.895 0.02 . 2 . . . . 106 P HG1 . 16879 1
995 . 1 1 106 106 PRO C C 13 177.598 0.04 . 1 . . . . 106 P C . 16879 1
996 . 1 1 106 106 PRO CA C 13 63.651 0.04 . 1 . . . . 106 P CA . 16879 1
997 . 1 1 106 106 PRO CB C 13 31.067 0.04 . 1 . . . . 106 P CB . 16879 1
998 . 1 1 106 106 PRO CD C 13 49.940 0.04 . 1 . . . . 106 P CD . 16879 1
999 . 1 1 107 107 GLY H H 1 8.901 0.02 . 1 . . . . 107 G HN . 16879 1
1000 . 1 1 107 107 GLY HA2 H 1 3.716 0.02 . 2 . . . . 107 G HA1 . 16879 1
1001 . 1 1 107 107 GLY HA3 H 1 4.213 0.02 . 2 . . . . 107 G HA2 . 16879 1
1002 . 1 1 107 107 GLY C C 13 174.285 0.04 . 1 . . . . 107 G C . 16879 1
1003 . 1 1 107 107 GLY CA C 13 44.666 0.04 . 1 . . . . 107 G CA . 16879 1
1004 . 1 1 107 107 GLY N N 15 112.736 0.05 . 1 . . . . 107 G N . 16879 1
1005 . 1 1 108 108 VAL H H 1 7.604 0.02 . 1 . . . . 108 V HN . 16879 1
1006 . 1 1 108 108 VAL HA H 1 3.772 0.02 . 1 . . . . 108 V HA . 16879 1
1007 . 1 1 108 108 VAL HB H 1 1.976 0.02 . 1 . . . . 108 V HB . 16879 1
1008 . 1 1 108 108 VAL HG11 H 1 0.836 0.02 . 1 . . . . 108 V HG11 . 16879 1
1009 . 1 1 108 108 VAL HG12 H 1 0.836 0.02 . 1 . . . . 108 V HG11 . 16879 1
1010 . 1 1 108 108 VAL HG13 H 1 0.836 0.02 . 1 . . . . 108 V HG11 . 16879 1
1011 . 1 1 108 108 VAL HG21 H 1 0.995 0.02 . 1 . . . . 108 V HG21 . 16879 1
1012 . 1 1 108 108 VAL HG22 H 1 0.995 0.02 . 1 . . . . 108 V HG21 . 16879 1
1013 . 1 1 108 108 VAL HG23 H 1 0.995 0.02 . 1 . . . . 108 V HG21 . 16879 1
1014 . 1 1 108 108 VAL C C 13 175.673 0.04 . 1 . . . . 108 V C . 16879 1
1015 . 1 1 108 108 VAL CA C 13 65.174 0.04 . 1 . . . . 108 V CA . 16879 1
1016 . 1 1 108 108 VAL CB C 13 31.775 0.04 . 1 . . . . 108 V CB . 16879 1
1017 . 1 1 108 108 VAL CG2 C 13 22.869 0.04 . 2 . . . . 108 V CG2 . 16879 1
1018 . 1 1 108 108 VAL N N 15 121.760 0.05 . 1 . . . . 108 V N . 16879 1
1019 . 1 1 109 109 LEU H H 1 8.378 0.02 . 1 . . . . 109 L HN . 16879 1
1020 . 1 1 109 109 LEU HA H 1 4.794 0.02 . 1 . . . . 109 L HA . 16879 1
1021 . 1 1 109 109 LEU HB2 H 1 1.083 0.02 . 2 . . . . 109 L HB1 . 16879 1
1022 . 1 1 109 109 LEU HB3 H 1 1.426 0.02 . 2 . . . . 109 L HB2 . 16879 1
1023 . 1 1 109 109 LEU HD11 H 1 0.282 0.02 . 1 . . . . 109 L HD11 . 16879 1
1024 . 1 1 109 109 LEU HD12 H 1 0.282 0.02 . 1 . . . . 109 L HD11 . 16879 1
1025 . 1 1 109 109 LEU HD13 H 1 0.282 0.02 . 1 . . . . 109 L HD11 . 16879 1
1026 . 1 1 109 109 LEU HD21 H 1 0.545 0.02 . 1 . . . . 109 L HD21 . 16879 1
1027 . 1 1 109 109 LEU HD22 H 1 0.545 0.02 . 1 . . . . 109 L HD21 . 16879 1
1028 . 1 1 109 109 LEU HD23 H 1 0.545 0.02 . 1 . . . . 109 L HD21 . 16879 1
1029 . 1 1 109 109 LEU HG H 1 0.280 0.02 . 1 . . . . 109 L HG . 16879 1
1030 . 1 1 109 109 LEU C C 13 176.377 0.04 . 1 . . . . 109 L C . 16879 1
1031 . 1 1 109 109 LEU CA C 13 50.512 0.04 . 1 . . . . 109 L CA . 16879 1
1032 . 1 1 109 109 LEU CB C 13 41.971 0.04 . 1 . . . . 109 L CB . 16879 1
1033 . 1 1 109 109 LEU CD1 C 13 24.978 0.04 . 2 . . . . 109 L CD1 . 16879 1
1034 . 1 1 109 109 LEU CD2 C 13 22.400 0.04 . 2 . . . . 109 L CD2 . 16879 1
1035 . 1 1 109 109 LEU CG C 13 24.978 0.04 . 1 . . . . 109 L CG . 16879 1
1036 . 1 1 109 109 LEU N N 15 118.596 0.05 . 1 . . . . 109 L N . 16879 1
1037 . 1 1 110 110 PRO HA H 1 4.443 0.02 . 1 . . . . 110 P HA . 16879 1
1038 . 1 1 110 110 PRO HB2 H 1 2.341 0.02 . 2 . . . . 110 P HB1 . 16879 1
1039 . 1 1 110 110 PRO HG2 H 1 1.983 0.02 . 2 . . . . 110 P HG1 . 16879 1
1040 . 1 1 110 110 PRO CA C 13 62.700 0.04 . 1 . . . . 110 P CA . 16879 1
1041 . 1 1 110 110 PRO CB C 13 31.595 0.04 . 1 . . . . 110 P CB . 16879 1
1042 . 1 1 111 111 GLU H H 1 8.511 0.02 . 1 . . . . 111 E HN . 16879 1
1043 . 1 1 111 111 GLU HA H 1 4.297 0.02 . 1 . . . . 111 E HA . 16879 1
1044 . 1 1 111 111 GLU HB2 H 1 2.085 0.02 . 2 . . . . 111 E HB1 . 16879 1
1045 . 1 1 111 111 GLU C C 13 176.783 0.04 . 1 . . . . 111 E C . 16879 1
1046 . 1 1 111 111 GLU CA C 13 56.205 0.04 . 1 . . . . 111 E CA . 16879 1
1047 . 1 1 111 111 GLU CB C 13 29.492 0.04 . 1 . . . . 111 E CB . 16879 1
1048 . 1 1 111 111 GLU N N 15 121.639 0.05 . 1 . . . . 111 E N . 16879 1
1049 . 1 1 112 112 ILE H H 1 8.689 0.02 . 1 . . . . 112 I HN . 16879 1
1050 . 1 1 112 112 ILE HA H 1 3.982 0.02 . 1 . . . . 112 I HA . 16879 1
1051 . 1 1 112 112 ILE HB H 1 1.687 0.02 . 1 . . . . 112 I HB . 16879 1
1052 . 1 1 112 112 ILE HD11 H 1 0.804 0.02 . 1 . . . . 112 I HD11 . 16879 1
1053 . 1 1 112 112 ILE HD12 H 1 0.804 0.02 . 1 . . . . 112 I HD11 . 16879 1
1054 . 1 1 112 112 ILE HD13 H 1 0.804 0.02 . 1 . . . . 112 I HD11 . 16879 1
1055 . 1 1 112 112 ILE HG12 H 1 1.155 0.02 . 1 . . . . 112 I HG11 . 16879 1
1056 . 1 1 112 112 ILE HG13 H 1 1.533 0.02 . 1 . . . . 112 I HG12 . 16879 1
1057 . 1 1 112 112 ILE HG21 H 1 0.841 0.02 . 1 . . . . 112 I HG21 . 16879 1
1058 . 1 1 112 112 ILE HG22 H 1 0.841 0.02 . 1 . . . . 112 I HG21 . 16879 1
1059 . 1 1 112 112 ILE HG23 H 1 0.841 0.02 . 1 . . . . 112 I HG21 . 16879 1
1060 . 1 1 112 112 ILE C C 13 175.227 0.04 . 1 . . . . 112 I C . 16879 1
1061 . 1 1 112 112 ILE CA C 13 61.424 0.04 . 1 . . . . 112 I CA . 16879 1
1062 . 1 1 112 112 ILE CB C 13 38.572 0.04 . 1 . . . . 112 I CB . 16879 1
1063 . 1 1 112 112 ILE CD1 C 13 13.611 0.04 . 1 . . . . 112 I CD1 . 16879 1
1064 . 1 1 112 112 ILE CG1 C 13 27.439 0.04 . 1 . . . . 112 I CG1 . 16879 1
1065 . 1 1 112 112 ILE CG2 C 13 17.478 0.04 . 1 . . . . 112 I CG2 . 16879 1
1066 . 1 1 112 112 ILE N N 15 124.890 0.05 . 1 . . . . 112 I N . 16879 1
1067 . 1 1 113 113 ASP H H 1 8.534 0.02 . 1 . . . . 113 D HN . 16879 1
1068 . 1 1 113 113 ASP HA H 1 4.702 0.02 . 1 . . . . 113 D HA . 16879 1
1069 . 1 1 113 113 ASP HB2 H 1 2.597 0.02 . 2 . . . . 113 D HB1 . 16879 1
1070 . 1 1 113 113 ASP HB3 H 1 2.715 0.02 . 2 . . . . 113 D HB2 . 16879 1
1071 . 1 1 113 113 ASP C C 13 174.974 0.04 . 1 . . . . 113 D C . 16879 1
1072 . 1 1 113 113 ASP CA C 13 53.807 0.04 . 1 . . . . 113 D CA . 16879 1
1073 . 1 1 113 113 ASP CB C 13 40.799 0.04 . 1 . . . . 113 D CB . 16879 1
1074 . 1 1 113 113 ASP N N 15 125.627 0.05 . 1 . . . . 113 D N . 16879 1
1075 . 1 1 114 114 THR H H 1 7.921 0.02 . 1 . . . . 114 T HN . 16879 1
1076 . 1 1 114 114 THR HA H 1 4.655 0.02 . 1 . . . . 114 T HA . 16879 1
1077 . 1 1 114 114 THR HB H 1 4.180 0.02 . 1 . . . . 114 T HB . 16879 1
1078 . 1 1 114 114 THR HG21 H 1 1.243 0.02 . 1 . . . . 114 T HG21 . 16879 1
1079 . 1 1 114 114 THR HG22 H 1 1.243 0.02 . 1 . . . . 114 T HG21 . 16879 1
1080 . 1 1 114 114 THR HG23 H 1 1.243 0.02 . 1 . . . . 114 T HG21 . 16879 1
1081 . 1 1 114 114 THR CA C 13 59.198 0.04 . 1 . . . . 114 T CA . 16879 1
1082 . 1 1 114 114 THR CB C 13 69.393 0.04 . 1 . . . . 114 T CB . 16879 1
1083 . 1 1 114 114 THR CG2 C 13 20.877 0.04 . 1 . . . . 114 T CG2 . 16879 1
1084 . 1 1 114 114 THR N N 15 116.946 0.05 . 1 . . . . 114 T N . 16879 1
1085 . 1 1 115 115 PRO HA H 1 4.460 0.02 . 1 . . . . 115 P HA . 16879 1
1086 . 1 1 115 115 PRO HB2 H 1 2.374 0.02 . 2 . . . . 115 P HB1 . 16879 1
1087 . 1 1 115 115 PRO HG2 H 1 2.015 0.02 . 2 . . . . 115 P HG1 . 16879 1
1088 . 1 1 115 115 PRO C C 13 177.190 0.04 . 1 . . . . 115 P C . 16879 1
1089 . 1 1 115 115 PRO CA C 13 63.219 0.04 . 1 . . . . 115 P CA . 16879 1
1090 . 1 1 115 115 PRO CB C 13 31.613 0.04 . 1 . . . . 115 P CB . 16879 1
1091 . 1 1 116 116 GLY H H 1 8.506 0.02 . 1 . . . . 116 G HN . 16879 1
1092 . 1 1 116 116 GLY HA2 H 1 3.908 0.02 . 2 . . . . 116 G HA1 . 16879 1
1093 . 1 1 116 116 GLY HA3 H 1 4.049 0.02 . 2 . . . . 116 G HA2 . 16879 1
1094 . 1 1 116 116 GLY C C 13 173.527 0.04 . 1 . . . . 116 G C . 16879 1
1095 . 1 1 116 116 GLY CA C 13 44.979 0.04 . 1 . . . . 116 G CA . 16879 1
1096 . 1 1 116 116 GLY N N 15 109.614 0.05 . 1 . . . . 116 G N . 16879 1
1097 . 1 1 117 117 ASN H H 1 8.331 0.02 . 1 . . . . 117 N HN . 16879 1
1098 . 1 1 117 117 ASN HA H 1 4.903 0.02 . 1 . . . . 117 N HA . 16879 1
1099 . 1 1 117 117 ASN HB2 H 1 2.584 0.02 . 2 . . . . 117 N HB1 . 16879 1
1100 . 1 1 117 117 ASN CA C 13 53.807 0.04 . 1 . . . . 117 N CA . 16879 1
1101 . 1 1 117 117 ASN N N 15 119.231 0.05 . 1 . . . . 117 N N . 16879 1
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