###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30550
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_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 'Reproducibilty from repeated experiemnts'
_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' . . . 30550 1
2 '2D 1H-13C HSQC aliphatic' . . . 30550 1
3 '2D 1H-13C HSQC aromatic' . . . 30550 1
4 '3D HNCACB' . . . 30550 1
5 '3D CBCA(CO)NH' . . . 30550 1
6 '3D C(CO)NH' . . . 30550 1
7 '3D 13C/15N- NOESY-HSQC' . . . 30550 1
8 '3D (HACA)CO(CA)NH' . . . 30550 1
9 '3D HNCO' . . . 30550 1
10 '3D HBHA(CO)NH' . . . 30550 1
11 '2D 12C-filtered-1H-1H-NOESY' . . . 30550 1
12 '3D 12C-filtered-13C/15N-editedNOESY-HSQC' . . . 30550 1
13 '3D 13C/15N-NOESY-HSQC (AROMATIC)' . . . 30550 1
14 '3D HAHB' . . . 30550 1
15 '2D 12C-filterd-1H-1H-TOCSY' . . . 30550 1
16 '2D (HB)CB(CGCDCE)HE' . . . 30550 1
17 '2D (HB)CB(CGCD)HD' . . . 30550 1
18 '3D 1H-13C NOESY aromatic' . . . 30550 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 2 2 GLU HA H 1 4.378 0.006 . 1 . . 728 . A 2 GLU HA . 30550 1
2 . 1 . 1 2 2 GLU HB2 H 1 1.927 0.008 . 2 . . 1147 . A 2 GLU HB2 . 30550 1
3 . 1 . 1 2 2 GLU HB3 H 1 2.040 0.002 . 2 . . 1148 . A 2 GLU HB3 . 30550 1
4 . 1 . 1 2 2 GLU HG2 H 1 2.266 0.008 . 1 . . 1149 . A 2 GLU HG2 . 30550 1
5 . 1 . 1 2 2 GLU HG3 H 1 2.266 0.008 . 1 . . 1150 . A 2 GLU HG3 . 30550 1
6 . 1 . 1 2 2 GLU C C 13 175.389 0.1 . 1 . . 600 . A 2 GLU C . 30550 1
7 . 1 . 1 2 2 GLU CA C 13 56.290 0.031 . 1 . . 289 . A 2 GLU CA . 30550 1
8 . 1 . 1 2 2 GLU CB C 13 30.530 0.039 . 1 . . 290 . A 2 GLU CB . 30550 1
9 . 1 . 1 2 2 GLU CG C 13 36.092 0.009 . 1 . . 524 . A 2 GLU CG . 30550 1
10 . 1 . 1 3 3 PHE H H 1 8.653 0.014 . 1 . . 37 . A 3 PHE H . 30550 1
11 . 1 . 1 3 3 PHE HA H 1 4.283 0.008 . 1 . . 725 . A 3 PHE HA . 30550 1
12 . 1 . 1 3 3 PHE HB2 H 1 3.033 0.005 . 1 . . 726 . A 3 PHE HB2 . 30550 1
13 . 1 . 1 3 3 PHE HB3 H 1 2.611 0.008 . 1 . . 727 . A 3 PHE HB3 . 30550 1
14 . 1 . 1 3 3 PHE HD1 H 1 6.922 0.008 . 1 . . 1297 . A 3 PHE HD1 . 30550 1
15 . 1 . 1 3 3 PHE HD2 H 1 6.922 0.008 . 1 . . 1297 . A 3 PHE HD2 . 30550 1
16 . 1 . 1 3 3 PHE HE1 H 1 7.226 0.01 . 1 . . 1416 . A 3 PHE HE1 . 30550 1
17 . 1 . 1 3 3 PHE HE2 H 1 7.226 0.01 . 1 . . 1416 . A 3 PHE HE2 . 30550 1
18 . 1 . 1 3 3 PHE HZ H 1 7.390 0.008 . 1 . . 1420 . A 3 PHE HZ . 30550 1
19 . 1 . 1 3 3 PHE C C 13 174.736 0.1 . 1 . . 601 . A 3 PHE C . 30550 1
20 . 1 . 1 3 3 PHE CA C 13 59.400 0.035 . 1 . . 286 . A 3 PHE CA . 30550 1
21 . 1 . 1 3 3 PHE CB C 13 40.228 0.026 . 1 . . 285 . A 3 PHE CB . 30550 1
22 . 1 . 1 3 3 PHE CD1 C 13 131.201 0.1 . 1 . . 1308 . A 3 PHE CD1 . 30550 1
23 . 1 . 1 3 3 PHE CD2 C 13 131.201 0.1 . 1 . . 1308 . A 3 PHE CD2 . 30550 1
24 . 1 . 1 3 3 PHE CE1 C 13 131.613 0.1 . 1 . . 1417 . A 3 PHE CE1 . 30550 1
25 . 1 . 1 3 3 PHE CE2 C 13 131.613 0.1 . 1 . . 1417 . A 3 PHE CE2 . 30550 1
26 . 1 . 1 3 3 PHE CZ C 13 130.600 0.1 . 1 . . 1421 . A 3 PHE CZ . 30550 1
27 . 1 . 1 3 3 PHE N N 15 124.430 0.031 . 1 . . 38 . A 3 PHE N . 30550 1
28 . 1 . 1 4 4 THR H H 1 7.065 0.006 . 1 . . 43 . A 4 THR H . 30550 1
29 . 1 . 1 4 4 THR HA H 1 4.082 0.008 . 1 . . 730 . A 4 THR HA . 30550 1
30 . 1 . 1 4 4 THR HB H 1 3.754 0.007 . 1 . . 729 . A 4 THR HB . 30550 1
31 . 1 . 1 4 4 THR HG21 H 1 1.056 0.006 . 1 . . 1146 . A 4 THR HG21 . 30550 1
32 . 1 . 1 4 4 THR HG22 H 1 1.056 0.006 . 1 . . 1146 . A 4 THR HG22 . 30550 1
33 . 1 . 1 4 4 THR HG23 H 1 1.056 0.006 . 1 . . 1146 . A 4 THR HG23 . 30550 1
34 . 1 . 1 4 4 THR C C 13 171.773 0.1 . 1 . . 658 . A 4 THR C . 30550 1
35 . 1 . 1 4 4 THR CA C 13 59.929 0.046 . 1 . . 288 . A 4 THR CA . 30550 1
36 . 1 . 1 4 4 THR CB C 13 70.650 0.051 . 1 . . 287 . A 4 THR CB . 30550 1
37 . 1 . 1 4 4 THR CG2 C 13 21.367 0.07 . 1 . . 525 . A 4 THR CG2 . 30550 1
38 . 1 . 1 4 4 THR N N 15 121.816 0.01 . 1 . . 44 . A 4 THR N . 30550 1
39 . 1 . 1 5 5 VAL H H 1 7.967 0.007 . 1 . . 126 . A 5 VAL H . 30550 1
40 . 1 . 1 5 5 VAL HA H 1 3.756 0.004 . 1 . . 731 . A 5 VAL HA . 30550 1
41 . 1 . 1 5 5 VAL HB H 1 1.930 0.005 . 1 . . 732 . A 5 VAL HB . 30550 1
42 . 1 . 1 5 5 VAL HG11 H 1 0.967 0.008 . 2 . . 1142 . A 5 VAL HG11 . 30550 1
43 . 1 . 1 5 5 VAL HG12 H 1 0.967 0.008 . 2 . . 1142 . A 5 VAL HG12 . 30550 1
44 . 1 . 1 5 5 VAL HG13 H 1 0.967 0.008 . 2 . . 1142 . A 5 VAL HG13 . 30550 1
45 . 1 . 1 5 5 VAL HG21 H 1 0.976 0.008 . 2 . . 1144 . A 5 VAL HG21 . 30550 1
46 . 1 . 1 5 5 VAL HG22 H 1 0.976 0.008 . 2 . . 1144 . A 5 VAL HG22 . 30550 1
47 . 1 . 1 5 5 VAL HG23 H 1 0.976 0.008 . 2 . . 1144 . A 5 VAL HG23 . 30550 1
48 . 1 . 1 5 5 VAL C C 13 177.235 0.1 . 1 . . 638 . A 5 VAL C . 30550 1
49 . 1 . 1 5 5 VAL CA C 13 62.932 0.023 . 1 . . 292 . A 5 VAL CA . 30550 1
50 . 1 . 1 5 5 VAL CB C 13 32.544 0.011 . 1 . . 291 . A 5 VAL CB . 30550 1
51 . 1 . 1 5 5 VAL CG1 C 13 22.085 0.015 . 2 . . 1143 . A 5 VAL CG1 . 30550 1
52 . 1 . 1 5 5 VAL CG2 C 13 21.704 0.02 . 2 . . 1145 . A 5 VAL CG2 . 30550 1
53 . 1 . 1 5 5 VAL N N 15 122.959 0.013 . 1 . . 127 . A 5 VAL N . 30550 1
54 . 1 . 1 6 6 SER H H 1 9.654 0.008 . 1 . . 3 . A 6 SER H . 30550 1
55 . 1 . 1 6 6 SER HA H 1 4.936 0.008 . 1 . . 733 . A 6 SER HA . 30550 1
56 . 1 . 1 6 6 SER HB2 H 1 3.802 0.01 . 2 . . 734 . A 6 SER HB2 . 30550 1
57 . 1 . 1 6 6 SER HB3 H 1 3.882 0.006 . 2 . . 735 . A 6 SER HB3 . 30550 1
58 . 1 . 1 6 6 SER C C 13 174.414 0.1 . 1 . . 696 . A 6 SER C . 30550 1
59 . 1 . 1 6 6 SER CA C 13 60.340 0.051 . 1 . . 294 . A 6 SER CA . 30550 1
60 . 1 . 1 6 6 SER CB C 13 65.498 0.026 . 1 . . 293 . A 6 SER CB . 30550 1
61 . 1 . 1 6 6 SER N N 15 125.411 0.039 . 1 . . 4 . A 6 SER N . 30550 1
62 . 1 . 1 7 7 THR H H 1 9.584 0.006 . 1 . . 203 . A 7 THR H . 30550 1
63 . 1 . 1 7 7 THR HA H 1 5.013 0.008 . 1 . . 737 . A 7 THR HA . 30550 1
64 . 1 . 1 7 7 THR HB H 1 4.700 0.002 . 1 . . 736 . A 7 THR HB . 30550 1
65 . 1 . 1 7 7 THR HG21 H 1 1.302 0.005 . 1 . . 1140 . A 7 THR HG21 . 30550 1
66 . 1 . 1 7 7 THR HG22 H 1 1.302 0.005 . 1 . . 1140 . A 7 THR HG22 . 30550 1
67 . 1 . 1 7 7 THR HG23 H 1 1.302 0.005 . 1 . . 1140 . A 7 THR HG23 . 30550 1
68 . 1 . 1 7 7 THR C C 13 176.970 0.1 . 1 . . 663 . A 7 THR C . 30550 1
69 . 1 . 1 7 7 THR CA C 13 60.099 0.054 . 1 . . 519 . A 7 THR CA . 30550 1
70 . 1 . 1 7 7 THR CB C 13 72.999 0.043 . 1 . . 518 . A 7 THR CB . 30550 1
71 . 1 . 1 7 7 THR CG2 C 13 21.284 0.031 . 1 . . 1141 . A 7 THR CG2 . 30550 1
72 . 1 . 1 7 7 THR N N 15 113.904 0.026 . 1 . . 204 . A 7 THR N . 30550 1
73 . 1 . 1 8 8 THR H H 1 8.783 0.006 . 1 . . 211 . A 8 THR H . 30550 1
74 . 1 . 1 8 8 THR HA H 1 3.872 0.008 . 1 . . 739 . A 8 THR HA . 30550 1
75 . 1 . 1 8 8 THR HB H 1 4.233 0.004 . 1 . . 738 . A 8 THR HB . 30550 1
76 . 1 . 1 8 8 THR HG21 H 1 1.349 0.011 . 1 . . 1138 . A 8 THR HG21 . 30550 1
77 . 1 . 1 8 8 THR HG22 H 1 1.349 0.011 . 1 . . 1138 . A 8 THR HG22 . 30550 1
78 . 1 . 1 8 8 THR HG23 H 1 1.349 0.011 . 1 . . 1138 . A 8 THR HG23 . 30550 1
79 . 1 . 1 8 8 THR CA C 13 66.629 0.049 . 1 . . 516 . A 8 THR CA . 30550 1
80 . 1 . 1 8 8 THR CB C 13 68.761 0.029 . 1 . . 517 . A 8 THR CB . 30550 1
81 . 1 . 1 8 8 THR CG2 C 13 22.161 0.026 . 1 . . 1139 . A 8 THR CG2 . 30550 1
82 . 1 . 1 8 8 THR N N 15 115.068 0.017 . 1 . . 212 . A 8 THR N . 30550 1
83 . 1 . 1 9 9 GLU H H 1 8.312 0.004 . 1 . . 69 . A 9 GLU H . 30550 1
84 . 1 . 1 9 9 GLU HA H 1 4.021 0.003 . 1 . . 1133 . A 9 GLU HA . 30550 1
85 . 1 . 1 9 9 GLU HB2 H 1 1.921 0.006 . 1 . . 1135 . A 9 GLU HB2 . 30550 1
86 . 1 . 1 9 9 GLU HB3 H 1 1.921 0.006 . 1 . . 1134 . A 9 GLU HB3 . 30550 1
87 . 1 . 1 9 9 GLU HG2 H 1 2.267 0.013 . 1 . . 1137 . A 9 GLU HG2 . 30550 1
88 . 1 . 1 9 9 GLU HG3 H 1 2.267 0.013 . 1 . . 1136 . A 9 GLU HG3 . 30550 1
89 . 1 . 1 9 9 GLU C C 13 179.181 0.1 . 1 . . 647 . A 9 GLU C . 30550 1
90 . 1 . 1 9 9 GLU CA C 13 59.713 0.029 . 1 . . 514 . A 9 GLU CA . 30550 1
91 . 1 . 1 9 9 GLU CB C 13 29.329 0.015 . 1 . . 515 . A 9 GLU CB . 30550 1
92 . 1 . 1 9 9 GLU CG C 13 36.848 0.025 . 1 . . 599 . A 9 GLU CG . 30550 1
93 . 1 . 1 9 9 GLU N N 15 121.180 0.012 . 1 . . 70 . A 9 GLU N . 30550 1
94 . 1 . 1 10 10 ASP H H 1 7.234 0.007 . 1 . . 84 . A 10 ASP H . 30550 1
95 . 1 . 1 10 10 ASP HA H 1 4.005 0.006 . 1 . . 1130 . A 10 ASP HA . 30550 1
96 . 1 . 1 10 10 ASP HB2 H 1 2.783 0.006 . 1 . . 1132 . A 10 ASP HB2 . 30550 1
97 . 1 . 1 10 10 ASP HB3 H 1 2.481 0.009 . 1 . . 1131 . A 10 ASP HB3 . 30550 1
98 . 1 . 1 10 10 ASP C C 13 176.198 0.1 . 1 . . 634 . A 10 ASP C . 30550 1
99 . 1 . 1 10 10 ASP CA C 13 57.021 0.036 . 1 . . 512 . A 10 ASP CA . 30550 1
100 . 1 . 1 10 10 ASP CB C 13 40.977 0.029 . 1 . . 513 . A 10 ASP CB . 30550 1
101 . 1 . 1 10 10 ASP N N 15 119.868 0.017 . 1 . . 85 . A 10 ASP N . 30550 1
102 . 1 . 1 11 11 LEU H H 1 8.118 0.005 . 1 . . 141 . A 11 LEU H . 30550 1
103 . 1 . 1 11 11 LEU HA H 1 3.918 0.009 . 1 . . 1127 . A 11 LEU HA . 30550 1
104 . 1 . 1 11 11 LEU HB2 H 1 1.367 0.008 . 1 . . 1125 . A 11 LEU HB2 . 30550 1
105 . 1 . 1 11 11 LEU HB3 H 1 2.012 0.006 . 1 . . 1126 . A 11 LEU HB3 . 30550 1
106 . 1 . 1 11 11 LEU HG H 1 1.599 0.003 . 1 . . 1440 . A 11 LEU HG . 30550 1
107 . 1 . 1 11 11 LEU HD11 H 1 1.037 0.004 . 1 . . 1129 . A 11 LEU HD11 . 30550 1
108 . 1 . 1 11 11 LEU HD12 H 1 1.037 0.004 . 1 . . 1129 . A 11 LEU HD12 . 30550 1
109 . 1 . 1 11 11 LEU HD13 H 1 1.037 0.004 . 1 . . 1129 . A 11 LEU HD13 . 30550 1
110 . 1 . 1 11 11 LEU HD21 H 1 1.036 0.004 . 1 . . 1128 . A 11 LEU HD21 . 30550 1
111 . 1 . 1 11 11 LEU HD22 H 1 1.036 0.004 . 1 . . 1128 . A 11 LEU HD22 . 30550 1
112 . 1 . 1 11 11 LEU HD23 H 1 1.036 0.004 . 1 . . 1128 . A 11 LEU HD23 . 30550 1
113 . 1 . 1 11 11 LEU C C 13 177.659 0.1 . 1 . . 692 . A 11 LEU C . 30550 1
114 . 1 . 1 11 11 LEU CA C 13 58.347 0.019 . 1 . . 510 . A 11 LEU CA . 30550 1
115 . 1 . 1 11 11 LEU CB C 13 41.674 0.024 . 1 . . 511 . A 11 LEU CB . 30550 1
116 . 1 . 1 11 11 LEU CG C 13 27.790 0.013 . 1 . . 1439 . A 11 LEU CG . 30550 1
117 . 1 . 1 11 11 LEU CD1 C 13 23.905 0.042 . 1 . . 597 . A 11 LEU CD1 . 30550 1
118 . 1 . 1 11 11 LEU CD2 C 13 26.224 0.042 . 1 . . 598 . A 11 LEU CD2 . 30550 1
119 . 1 . 1 11 11 LEU N N 15 118.084 0.032 . 1 . . 142 . A 11 LEU N . 30550 1
120 . 1 . 1 12 12 GLN H H 1 7.986 0.007 . 1 . . 231 . A 12 GLN H . 30550 1
121 . 1 . 1 12 12 GLN HA H 1 3.952 0.012 . 1 . . 1120 . A 12 GLN HA . 30550 1
122 . 1 . 1 12 12 GLN HB2 H 1 2.146 0.018 . 2 . . 1121 . A 12 GLN HB2 . 30550 1
123 . 1 . 1 12 12 GLN HB3 H 1 2.179 0.017 . 2 . . 1122 . A 12 GLN HB3 . 30550 1
124 . 1 . 1 12 12 GLN HG2 H 1 2.469 0.02 . 2 . . 1123 . A 12 GLN HG2 . 30550 1
125 . 1 . 1 12 12 GLN HG3 H 1 2.503 0.019 . 2 . . 1124 . A 12 GLN HG3 . 30550 1
126 . 1 . 1 12 12 GLN HE21 H 1 7.408 0.003 . 1 . . 187 . A 12 GLN HE21 . 30550 1
127 . 1 . 1 12 12 GLN HE22 H 1 6.935 0.006 . 1 . . 213 . A 12 GLN HE22 . 30550 1
128 . 1 . 1 12 12 GLN C C 13 178.402 0.1 . 1 . . 684 . A 12 GLN C . 30550 1
129 . 1 . 1 12 12 GLN CA C 13 59.264 0.021 . 1 . . 509 . A 12 GLN CA . 30550 1
130 . 1 . 1 12 12 GLN CB C 13 28.019 0.013 . 1 . . 508 . A 12 GLN CB . 30550 1
131 . 1 . 1 12 12 GLN CG C 13 33.866 0.033 . 1 . . 596 . A 12 GLN CG . 30550 1
132 . 1 . 1 12 12 GLN N N 15 116.291 0.021 . 1 . . 232 . A 12 GLN N . 30550 1
133 . 1 . 1 12 12 GLN NE2 N 15 111.837 0.02 . 1 . . 188 . A 12 GLN NE2 . 30550 1
134 . 1 . 1 13 13 ARG H H 1 7.256 0.008 . 1 . . 13 . A 13 ARG H . 30550 1
135 . 1 . 1 13 13 ARG HA H 1 4.140 0.009 . 1 . . 1111 . A 13 ARG HA . 30550 1
136 . 1 . 1 13 13 ARG HB2 H 1 1.809 0.013 . 2 . . 1112 . A 13 ARG HB2 . 30550 1
137 . 1 . 1 13 13 ARG HB3 H 1 1.817 0.014 . 2 . . 1113 . A 13 ARG HB3 . 30550 1
138 . 1 . 1 13 13 ARG HG2 H 1 1.713 0.003 . 2 . . 1450 . A 13 ARG HG2 . 30550 1
139 . 1 . 1 13 13 ARG HG3 H 1 1.422 0.002 . 2 . . 1451 . A 13 ARG HG3 . 30550 1
140 . 1 . 1 13 13 ARG HD2 H 1 3.222 0.001 . 2 . . 1114 . A 13 ARG HD2 . 30550 1
141 . 1 . 1 13 13 ARG HD3 H 1 3.262 0.008 . 2 . . 1115 . A 13 ARG HD3 . 30550 1
142 . 1 . 1 13 13 ARG HE H 1 7.480 0.009 . 1 . . 268 . A 13 ARG HE . 30550 1
143 . 1 . 1 13 13 ARG C C 13 178.559 0.1 . 1 . . 711 . A 13 ARG C . 30550 1
144 . 1 . 1 13 13 ARG CA C 13 59.663 0.04 . 1 . . 506 . A 13 ARG CA . 30550 1
145 . 1 . 1 13 13 ARG CB C 13 29.961 0.018 . 1 . . 507 . A 13 ARG CB . 30550 1
146 . 1 . 1 13 13 ARG CG C 13 28.308 0.063 . 1 . . 1449 . A 13 ARG CG . 30550 1
147 . 1 . 1 13 13 ARG CD C 13 43.643 0.077 . 1 . . 595 . A 13 ARG CD . 30550 1
148 . 1 . 1 13 13 ARG N N 15 120.946 0.017 . 1 . . 14 . A 13 ARG N . 30550 1
149 . 1 . 1 13 13 ARG NE N 15 84.358 0.019 . 1 . . 269 . A 13 ARG NE . 30550 1
150 . 1 . 1 14 14 TYR H H 1 8.515 0.006 . 1 . . 19 . A 14 TYR H . 30550 1
151 . 1 . 1 14 14 TYR HA H 1 4.598 0.006 . 1 . . 1108 . A 14 TYR HA . 30550 1
152 . 1 . 1 14 14 TYR HB2 H 1 3.027 0.016 . 1 . . 1109 . A 14 TYR HB2 . 30550 1
153 . 1 . 1 14 14 TYR HB3 H 1 3.145 0.015 . 1 . . 1110 . A 14 TYR HB3 . 30550 1
154 . 1 . 1 14 14 TYR HD1 H 1 6.831 0.015 . 1 . . 1304 . A 14 TYR HD1 . 30550 1
155 . 1 . 1 14 14 TYR HD2 H 1 6.831 0.015 . 1 . . 1304 . A 14 TYR HD2 . 30550 1
156 . 1 . 1 14 14 TYR HE1 H 1 6.805 0.011 . 1 . . 1272 . A 14 TYR HE1 . 30550 1
157 . 1 . 1 14 14 TYR HE2 H 1 6.805 0.011 . 1 . . 1272 . A 14 TYR HE2 . 30550 1
158 . 1 . 1 14 14 TYR C C 13 178.288 0.1 . 1 . . 635 . A 14 TYR C . 30550 1
159 . 1 . 1 14 14 TYR CA C 13 57.820 0.049 . 1 . . 505 . A 14 TYR CA . 30550 1
160 . 1 . 1 14 14 TYR CB C 13 36.841 0.091 . 1 . . 504 . A 14 TYR CB . 30550 1
161 . 1 . 1 14 14 TYR CD1 C 13 131.829 0.025 . 1 . . 1305 . A 14 TYR CD1 . 30550 1
162 . 1 . 1 14 14 TYR CD2 C 13 131.829 0.025 . 1 . . 1305 . A 14 TYR CD2 . 30550 1
163 . 1 . 1 14 14 TYR CE1 C 13 117.688 0.028 . 1 . . 1273 . A 14 TYR CE1 . 30550 1
164 . 1 . 1 14 14 TYR CE2 C 13 117.688 0.028 . 1 . . 1273 . A 14 TYR CE2 . 30550 1
165 . 1 . 1 14 14 TYR N N 15 120.228 0.019 . 1 . . 20 . A 14 TYR N . 30550 1
166 . 1 . 1 15 15 ARG H H 1 9.278 0.006 . 1 . . 80 . A 15 ARG H . 30550 1
167 . 1 . 1 15 15 ARG HA H 1 4.370 0.008 . 1 . . 1103 . A 15 ARG HA . 30550 1
168 . 1 . 1 15 15 ARG HB2 H 1 1.944 0.009 . 1 . . 1101 . A 15 ARG HB2 . 30550 1
169 . 1 . 1 15 15 ARG HB3 H 1 2.154 0.005 . 1 . . 1102 . A 15 ARG HB3 . 30550 1
170 . 1 . 1 15 15 ARG HG2 H 1 2.386 0.005 . 2 . . 1104 . A 15 ARG HG2 . 30550 1
171 . 1 . 1 15 15 ARG HG3 H 1 1.590 0.015 . 2 . . 1105 . A 15 ARG HG3 . 30550 1
172 . 1 . 1 15 15 ARG HD2 H 1 3.260 0.011 . 1 . . 1107 . A 15 ARG HD2 . 30550 1
173 . 1 . 1 15 15 ARG HD3 H 1 3.260 0.011 . 1 . . 1106 . A 15 ARG HD3 . 30550 1
174 . 1 . 1 15 15 ARG HE H 1 8.891 0.01 . 1 . . 716 . A 15 ARG HE . 30550 1
175 . 1 . 1 15 15 ARG C C 13 178.305 0.1 . 1 . . 705 . A 15 ARG C . 30550 1
176 . 1 . 1 15 15 ARG CA C 13 59.921 0.03 . 1 . . 502 . A 15 ARG CA . 30550 1
177 . 1 . 1 15 15 ARG CB C 13 30.815 0.064 . 1 . . 503 . A 15 ARG CB . 30550 1
178 . 1 . 1 15 15 ARG CG C 13 25.582 0.063 . 1 . . 594 . A 15 ARG CG . 30550 1
179 . 1 . 1 15 15 ARG CD C 13 44.343 0.03 . 1 . . 593 . A 15 ARG CD . 30550 1
180 . 1 . 1 15 15 ARG N N 15 121.070 0.022 . 1 . . 81 . A 15 ARG N . 30550 1
181 . 1 . 1 15 15 ARG NE N 15 85.011 0.04 . 1 . . 717 . A 15 ARG NE . 30550 1
182 . 1 . 1 16 16 THR H H 1 7.700 0.004 . 1 . . 239 . A 16 THR H . 30550 1
183 . 1 . 1 16 16 THR HA H 1 3.898 0.005 . 1 . . 1095 . A 16 THR HA . 30550 1
184 . 1 . 1 16 16 THR HB H 1 4.473 0.004 . 1 . . 1098 . A 16 THR HB . 30550 1
185 . 1 . 1 16 16 THR HG21 H 1 1.349 0.005 . 1 . . 1100 . A 16 THR HG21 . 30550 1
186 . 1 . 1 16 16 THR HG22 H 1 1.349 0.005 . 1 . . 1100 . A 16 THR HG22 . 30550 1
187 . 1 . 1 16 16 THR HG23 H 1 1.349 0.005 . 1 . . 1100 . A 16 THR HG23 . 30550 1
188 . 1 . 1 16 16 THR C C 13 177.505 0.1 . 1 . . 645 . A 16 THR C . 30550 1
189 . 1 . 1 16 16 THR CA C 13 66.986 0.036 . 1 . . 501 . A 16 THR CA . 30550 1
190 . 1 . 1 16 16 THR CB C 13 68.981 0.022 . 1 . . 500 . A 16 THR CB . 30550 1
191 . 1 . 1 16 16 THR CG2 C 13 21.770 0.033 . 1 . . 1099 . A 16 THR CG2 . 30550 1
192 . 1 . 1 16 16 THR N N 15 114.519 0.018 . 1 . . 240 . A 16 THR N . 30550 1
193 . 1 . 1 17 17 GLU H H 1 8.619 0.006 . 1 . . 31 . A 17 GLU H . 30550 1
194 . 1 . 1 17 17 GLU HA H 1 4.170 0.004 . 1 . . 1094 . A 17 GLU HA . 30550 1
195 . 1 . 1 17 17 GLU HB2 H 1 2.317 0.007 . 1 . . 1093 . A 17 GLU HB2 . 30550 1
196 . 1 . 1 17 17 GLU HB3 H 1 2.027 0.008 . 1 . . 1092 . A 17 GLU HB3 . 30550 1
197 . 1 . 1 17 17 GLU HG2 H 1 2.744 0.005 . 2 . . 1096 . A 17 GLU HG2 . 30550 1
198 . 1 . 1 17 17 GLU HG3 H 1 2.330 0.006 . 2 . . 1097 . A 17 GLU HG3 . 30550 1
199 . 1 . 1 17 17 GLU C C 13 180.212 0.1 . 1 . . 682 . A 17 GLU C . 30550 1
200 . 1 . 1 17 17 GLU CA C 13 59.568 0.042 . 1 . . 499 . A 17 GLU CA . 30550 1
201 . 1 . 1 17 17 GLU CB C 13 30.306 0.017 . 1 . . 498 . A 17 GLU CB . 30550 1
202 . 1 . 1 17 17 GLU CG C 13 36.426 0.045 . 1 . . 591 . A 17 GLU CG . 30550 1
203 . 1 . 1 17 17 GLU N N 15 121.652 0.016 . 1 . . 32 . A 17 GLU N . 30550 1
204 . 1 . 1 18 18 CYS H H 1 9.045 0.006 . 1 . . 104 . A 18 CYS H . 30550 1
205 . 1 . 1 18 18 CYS HA H 1 4.488 0.005 . 1 . . 1091 . A 18 CYS HA . 30550 1
206 . 1 . 1 18 18 CYS HB2 H 1 3.329 0.004 . 1 . . 1090 . A 18 CYS HB2 . 30550 1
207 . 1 . 1 18 18 CYS HB3 H 1 2.842 0.005 . 1 . . 1089 . A 18 CYS HB3 . 30550 1
208 . 1 . 1 18 18 CYS C C 13 176.436 0.1 . 1 . . 636 . A 18 CYS C . 30550 1
209 . 1 . 1 18 18 CYS CA C 13 59.568 0.031 . 1 . . 497 . A 18 CYS CA . 30550 1
210 . 1 . 1 18 18 CYS CB C 13 41.522 0.028 . 1 . . 496 . A 18 CYS CB . 30550 1
211 . 1 . 1 18 18 CYS N N 15 119.918 0.015 . 1 . . 105 . A 18 CYS N . 30550 1
212 . 1 . 1 19 19 VAL H H 1 9.253 0.005 . 1 . . 57 . A 19 VAL H . 30550 1
213 . 1 . 1 19 19 VAL HA H 1 3.710 0.004 . 1 . . 1086 . A 19 VAL HA . 30550 1
214 . 1 . 1 19 19 VAL HB H 1 2.357 0.003 . 1 . . 1085 . A 19 VAL HB . 30550 1
215 . 1 . 1 19 19 VAL HG11 H 1 1.039 0.007 . 1 . . 1087 . A 19 VAL HG11 . 30550 1
216 . 1 . 1 19 19 VAL HG12 H 1 1.039 0.007 . 1 . . 1087 . A 19 VAL HG12 . 30550 1
217 . 1 . 1 19 19 VAL HG13 H 1 1.039 0.007 . 1 . . 1087 . A 19 VAL HG13 . 30550 1
218 . 1 . 1 19 19 VAL HG21 H 1 1.158 0.008 . 1 . . 1088 . A 19 VAL HG21 . 30550 1
219 . 1 . 1 19 19 VAL HG22 H 1 1.158 0.008 . 1 . . 1088 . A 19 VAL HG22 . 30550 1
220 . 1 . 1 19 19 VAL HG23 H 1 1.158 0.008 . 1 . . 1088 . A 19 VAL HG23 . 30550 1
221 . 1 . 1 19 19 VAL C C 13 178.785 0.1 . 1 . . 683 . A 19 VAL C . 30550 1
222 . 1 . 1 19 19 VAL CA C 13 67.126 0.011 . 1 . . 495 . A 19 VAL CA . 30550 1
223 . 1 . 1 19 19 VAL CB C 13 31.745 0.025 . 1 . . 494 . A 19 VAL CB . 30550 1
224 . 1 . 1 19 19 VAL CG1 C 13 21.374 0.013 . 1 . . 589 . A 19 VAL CG1 . 30550 1
225 . 1 . 1 19 19 VAL CG2 C 13 24.743 0.018 . 1 . . 590 . A 19 VAL CG2 . 30550 1
226 . 1 . 1 19 19 VAL N N 15 121.165 0.014 . 1 . . 58 . A 19 VAL N . 30550 1
227 . 1 . 1 20 20 SER H H 1 7.883 0.006 . 1 . . 94 . A 20 SER H . 30550 1
228 . 1 . 1 20 20 SER HA H 1 4.420 0.006 . 1 . . 1082 . A 20 SER HA . 30550 1
229 . 1 . 1 20 20 SER HB2 H 1 4.068 0.008 . 1 . . 1084 . A 20 SER HB2 . 30550 1
230 . 1 . 1 20 20 SER HB3 H 1 4.068 0.008 . 1 . . 1083 . A 20 SER HB3 . 30550 1
231 . 1 . 1 20 20 SER C C 13 177.776 0.1 . 1 . . 700 . A 20 SER C . 30550 1
232 . 1 . 1 20 20 SER CA C 13 61.103 0.058 . 1 . . 492 . A 20 SER CA . 30550 1
233 . 1 . 1 20 20 SER CB C 13 63.063 0.035 . 1 . . 493 . A 20 SER CB . 30550 1
234 . 1 . 1 20 20 SER N N 15 112.300 0.042 . 1 . . 95 . A 20 SER N . 30550 1
235 . 1 . 1 21 21 SER H H 1 8.537 0.009 . 1 . . 222 . A 21 SER H . 30550 1
236 . 1 . 1 21 21 SER HA H 1 4.255 0.006 . 1 . . 1079 . A 21 SER HA . 30550 1
237 . 1 . 1 21 21 SER HB2 H 1 4.022 0.007 . 1 . . 1080 . A 21 SER HB2 . 30550 1
238 . 1 . 1 21 21 SER HB3 H 1 4.022 0.007 . 1 . . 1081 . A 21 SER HB3 . 30550 1
239 . 1 . 1 21 21 SER C C 13 176.482 0.1 . 1 . . 650 . A 21 SER C . 30550 1
240 . 1 . 1 21 21 SER CA C 13 61.628 0.069 . 1 . . 491 . A 21 SER CA . 30550 1
241 . 1 . 1 21 21 SER CB C 13 63.119 0.022 . 1 . . 490 . A 21 SER CB . 30550 1
242 . 1 . 1 21 21 SER N N 15 116.574 0.023 . 1 . . 223 . A 21 SER N . 30550 1
243 . 1 . 1 22 22 LEU H H 1 7.932 0.007 . 1 . . 249 . A 22 LEU H . 30550 1
244 . 1 . 1 22 22 LEU HA H 1 4.470 0.006 . 1 . . 1070 . A 22 LEU HA . 30550 1
245 . 1 . 1 22 22 LEU HB2 H 1 1.900 0.015 . 1 . . 1072 . A 22 LEU HB2 . 30550 1
246 . 1 . 1 22 22 LEU HB3 H 1 1.693 0.009 . 1 . . 1071 . A 22 LEU HB3 . 30550 1
247 . 1 . 1 22 22 LEU HG H 1 1.877 0.009 . 1 . . 1077 . A 22 LEU HG . 30550 1
248 . 1 . 1 22 22 LEU HD11 H 1 0.954 0.009 . 1 . . 1075 . A 22 LEU HD11 . 30550 1
249 . 1 . 1 22 22 LEU HD12 H 1 0.954 0.009 . 1 . . 1075 . A 22 LEU HD12 . 30550 1
250 . 1 . 1 22 22 LEU HD13 H 1 0.954 0.009 . 1 . . 1075 . A 22 LEU HD13 . 30550 1
251 . 1 . 1 22 22 LEU HD21 H 1 0.866 0.009 . 1 . . 1073 . A 22 LEU HD21 . 30550 1
252 . 1 . 1 22 22 LEU HD22 H 1 0.866 0.009 . 1 . . 1073 . A 22 LEU HD22 . 30550 1
253 . 1 . 1 22 22 LEU HD23 H 1 0.866 0.009 . 1 . . 1073 . A 22 LEU HD23 . 30550 1
254 . 1 . 1 22 22 LEU C C 13 176.476 0.1 . 1 . . 668 . A 22 LEU C . 30550 1
255 . 1 . 1 22 22 LEU CA C 13 54.603 0.043 . 1 . . 488 . A 22 LEU CA . 30550 1
256 . 1 . 1 22 22 LEU CB C 13 41.743 0.06 . 1 . . 489 . A 22 LEU CB . 30550 1
257 . 1 . 1 22 22 LEU CG C 13 27.327 0.039 . 1 . . 1078 . A 22 LEU CG . 30550 1
258 . 1 . 1 22 22 LEU CD1 C 13 25.682 0.022 . 1 . . 1076 . A 22 LEU CD1 . 30550 1
259 . 1 . 1 22 22 LEU CD2 C 13 22.258 0.07 . 1 . . 1074 . A 22 LEU CD2 . 30550 1
260 . 1 . 1 22 22 LEU N N 15 118.611 0.016 . 1 . . 248 . A 22 LEU N . 30550 1
261 . 1 . 1 23 23 ASN H H 1 7.784 0.007 . 1 . . 189 . A 23 ASN H . 30550 1
262 . 1 . 1 23 23 ASN HA H 1 4.416 0.004 . 1 . . 1069 . A 23 ASN HA . 30550 1
263 . 1 . 1 23 23 ASN HB2 H 1 2.725 0.004 . 2 . . 1067 . A 23 ASN HB2 . 30550 1
264 . 1 . 1 23 23 ASN HB3 H 1 3.044 0.005 . 2 . . 1068 . A 23 ASN HB3 . 30550 1
265 . 1 . 1 23 23 ASN HD21 H 1 6.771 0.006 . 1 . . 259 . A 23 ASN HD21 . 30550 1
266 . 1 . 1 23 23 ASN HD22 H 1 7.520 0.004 . 1 . . 721 . A 23 ASN HD22 . 30550 1
267 . 1 . 1 23 23 ASN C C 13 174.941 0.1 . 1 . . 699 . A 23 ASN C . 30550 1
268 . 1 . 1 23 23 ASN CA C 13 53.916 0.06 . 1 . . 485 . A 23 ASN CA . 30550 1
269 . 1 . 1 23 23 ASN CB C 13 36.957 0.031 . 1 . . 484 . A 23 ASN CB . 30550 1
270 . 1 . 1 23 23 ASN N N 15 118.781 0.013 . 1 . . 190 . A 23 ASN N . 30550 1
271 . 1 . 1 23 23 ASN ND2 N 15 112.268 0.034 . 1 . . 108 . A 23 ASN ND2 . 30550 1
272 . 1 . 1 24 24 ILE H H 1 8.075 0.005 . 1 . . 29 . A 24 ILE H . 30550 1
273 . 1 . 1 24 24 ILE HA H 1 4.049 0.007 . 1 . . 1061 . A 24 ILE HA . 30550 1
274 . 1 . 1 24 24 ILE HB H 1 1.935 0.006 . 1 . . 1062 . A 24 ILE HB . 30550 1
275 . 1 . 1 24 24 ILE HG12 H 1 1.432 0.009 . 2 . . 1242 . A 24 ILE HG12 . 30550 1
276 . 1 . 1 24 24 ILE HG13 H 1 1.562 0.008 . 2 . . 1244 . A 24 ILE HG13 . 30550 1
277 . 1 . 1 24 24 ILE HG21 H 1 0.837 0.011 . 1 . . 1065 . A 24 ILE HG21 . 30550 1
278 . 1 . 1 24 24 ILE HG22 H 1 0.837 0.011 . 1 . . 1065 . A 24 ILE HG22 . 30550 1
279 . 1 . 1 24 24 ILE HG23 H 1 0.837 0.011 . 1 . . 1065 . A 24 ILE HG23 . 30550 1
280 . 1 . 1 24 24 ILE HD11 H 1 0.897 0.012 . 1 . . 1063 . A 24 ILE HD11 . 30550 1
281 . 1 . 1 24 24 ILE HD12 H 1 0.897 0.012 . 1 . . 1063 . A 24 ILE HD12 . 30550 1
282 . 1 . 1 24 24 ILE HD13 H 1 0.897 0.012 . 1 . . 1063 . A 24 ILE HD13 . 30550 1
283 . 1 . 1 24 24 ILE CA C 13 58.356 0.028 . 1 . . 487 . A 24 ILE CA . 30550 1
284 . 1 . 1 24 24 ILE CB C 13 37.545 0.031 . 1 . . 486 . A 24 ILE CB . 30550 1
285 . 1 . 1 24 24 ILE CG1 C 13 28.364 0.048 . 1 . . 1243 . A 24 ILE CG1 . 30550 1
286 . 1 . 1 24 24 ILE CG2 C 13 17.143 0.018 . 1 . . 1066 . A 24 ILE CG2 . 30550 1
287 . 1 . 1 24 24 ILE CD1 C 13 12.849 0.018 . 1 . . 1064 . A 24 ILE CD1 . 30550 1
288 . 1 . 1 24 24 ILE N N 15 120.439 0.017 . 1 . . 30 . A 24 ILE N . 30550 1
289 . 1 . 1 25 25 PRO HA H 1 4.512 0.004 . 1 . . 1055 . A 25 PRO HA . 30550 1
290 . 1 . 1 25 25 PRO HB2 H 1 2.213 0.006 . 2 . . 1053 . A 25 PRO HB2 . 30550 1
291 . 1 . 1 25 25 PRO HB3 H 1 2.527 0.004 . 2 . . 1054 . A 25 PRO HB3 . 30550 1
292 . 1 . 1 25 25 PRO HG2 H 1 2.075 0.01 . 2 . . 1059 . A 25 PRO HG2 . 30550 1
293 . 1 . 1 25 25 PRO HG3 H 1 2.104 0.013 . 2 . . 1060 . A 25 PRO HG3 . 30550 1
294 . 1 . 1 25 25 PRO HD2 H 1 4.077 0.01 . 2 . . 1057 . A 25 PRO HD2 . 30550 1
295 . 1 . 1 25 25 PRO HD3 H 1 3.192 0.006 . 2 . . 1058 . A 25 PRO HD3 . 30550 1
296 . 1 . 1 25 25 PRO C C 13 177.997 0.1 . 1 . . 639 . A 25 PRO C . 30550 1
297 . 1 . 1 25 25 PRO CA C 13 62.821 0.02 . 1 . . 482 . A 25 PRO CA . 30550 1
298 . 1 . 1 25 25 PRO CB C 13 33.191 0.03 . 1 . . 483 . A 25 PRO CB . 30550 1
299 . 1 . 1 25 25 PRO CG C 13 27.789 0.058 . 1 . . 588 . A 25 PRO CG . 30550 1
300 . 1 . 1 25 25 PRO CD C 13 51.440 0.021 . 1 . . 1056 . A 25 PRO CD . 30550 1
301 . 1 . 1 26 26 ALA H H 1 8.696 0.01 . 1 . . 15 . A 26 ALA H . 30550 1
302 . 1 . 1 26 26 ALA HA H 1 3.941 0.005 . 1 . . 1051 . A 26 ALA HA . 30550 1
303 . 1 . 1 26 26 ALA HB1 H 1 1.452 0.005 . 1 . . 1052 . A 26 ALA HB1 . 30550 1
304 . 1 . 1 26 26 ALA HB2 H 1 1.452 0.005 . 1 . . 1052 . A 26 ALA HB2 . 30550 1
305 . 1 . 1 26 26 ALA HB3 H 1 1.452 0.005 . 1 . . 1052 . A 26 ALA HB3 . 30550 1
306 . 1 . 1 26 26 ALA C C 13 179.618 0.1 . 1 . . 679 . A 26 ALA C . 30550 1
307 . 1 . 1 26 26 ALA CA C 13 55.623 0.008 . 1 . . 481 . A 26 ALA CA . 30550 1
308 . 1 . 1 26 26 ALA CB C 13 18.496 0.063 . 1 . . 480 . A 26 ALA CB . 30550 1
309 . 1 . 1 26 26 ALA N N 15 124.624 0.016 . 1 . . 16 . A 26 ALA N . 30550 1
310 . 1 . 1 27 27 ASP H H 1 8.887 0.007 . 1 . . 78 . A 27 ASP H . 30550 1
311 . 1 . 1 27 27 ASP HA H 1 4.195 0.006 . 1 . . 1048 . A 27 ASP HA . 30550 1
312 . 1 . 1 27 27 ASP HB2 H 1 2.437 0.003 . 2 . . 1049 . A 27 ASP HB2 . 30550 1
313 . 1 . 1 27 27 ASP HB3 H 1 2.532 0.008 . 2 . . 1050 . A 27 ASP HB3 . 30550 1
314 . 1 . 1 27 27 ASP C C 13 179.295 0.1 . 1 . . 631 . A 27 ASP C . 30550 1
315 . 1 . 1 27 27 ASP CA C 13 56.434 0.013 . 1 . . 478 . A 27 ASP CA . 30550 1
316 . 1 . 1 27 27 ASP CB C 13 39.674 0.026 . 1 . . 479 . A 27 ASP CB . 30550 1
317 . 1 . 1 27 27 ASP N N 15 114.676 0.021 . 1 . . 79 . A 27 ASP N . 30550 1
318 . 1 . 1 28 28 TYR H H 1 7.421 0.006 . 1 . . 237 . A 28 TYR H . 30550 1
319 . 1 . 1 28 28 TYR HA H 1 3.448 0.003 . 1 . . 1047 . A 28 TYR HA . 30550 1
320 . 1 . 1 28 28 TYR HB2 H 1 2.739 0.005 . 1 . . 1046 . A 28 TYR HB2 . 30550 1
321 . 1 . 1 28 28 TYR HB3 H 1 1.963 0.006 . 1 . . 1045 . A 28 TYR HB3 . 30550 1
322 . 1 . 1 28 28 TYR HD1 H 1 6.985 0.008 . 1 . . 1295 . A 28 TYR HD1 . 30550 1
323 . 1 . 1 28 28 TYR HD2 H 1 6.985 0.008 . 1 . . 1295 . A 28 TYR HD2 . 30550 1
324 . 1 . 1 28 28 TYR HE1 H 1 7.130 0.01 . 1 . . 1254 . A 28 TYR HE1 . 30550 1
325 . 1 . 1 28 28 TYR HE2 H 1 7.130 0.01 . 1 . . 1254 . A 28 TYR HE2 . 30550 1
326 . 1 . 1 28 28 TYR C C 13 176.151 0.1 . 1 . . 655 . A 28 TYR C . 30550 1
327 . 1 . 1 28 28 TYR CA C 13 61.800 0.036 . 1 . . 476 . A 28 TYR CA . 30550 1
328 . 1 . 1 28 28 TYR CB C 13 38.002 0.038 . 1 . . 477 . A 28 TYR CB . 30550 1
329 . 1 . 1 28 28 TYR CD1 C 13 131.960 0.1 . 1 . . 1296 . A 28 TYR CD1 . 30550 1
330 . 1 . 1 28 28 TYR CD2 C 13 131.960 0.1 . 1 . . 1296 . A 28 TYR CD2 . 30550 1
331 . 1 . 1 28 28 TYR CE1 C 13 118.349 0.063 . 1 . . 1255 . A 28 TYR CE1 . 30550 1
332 . 1 . 1 28 28 TYR CE2 C 13 118.349 0.063 . 1 . . 1255 . A 28 TYR CE2 . 30550 1
333 . 1 . 1 28 28 TYR N N 15 118.776 0.015 . 1 . . 238 . A 28 TYR N . 30550 1
334 . 1 . 1 29 29 VAL H H 1 6.832 0.008 . 1 . . 137 . A 29 VAL H . 30550 1
335 . 1 . 1 29 29 VAL HA H 1 2.911 0.005 . 1 . . 1041 . A 29 VAL HA . 30550 1
336 . 1 . 1 29 29 VAL HB H 1 2.091 0.004 . 1 . . 1042 . A 29 VAL HB . 30550 1
337 . 1 . 1 29 29 VAL HG11 H 1 0.902 0.007 . 1 . . 1044 . A 29 VAL HG11 . 30550 1
338 . 1 . 1 29 29 VAL HG12 H 1 0.902 0.007 . 1 . . 1044 . A 29 VAL HG12 . 30550 1
339 . 1 . 1 29 29 VAL HG13 H 1 0.902 0.007 . 1 . . 1044 . A 29 VAL HG13 . 30550 1
340 . 1 . 1 29 29 VAL HG21 H 1 0.889 0.007 . 1 . . 1043 . A 29 VAL HG21 . 30550 1
341 . 1 . 1 29 29 VAL HG22 H 1 0.889 0.007 . 1 . . 1043 . A 29 VAL HG22 . 30550 1
342 . 1 . 1 29 29 VAL HG23 H 1 0.889 0.007 . 1 . . 1043 . A 29 VAL HG23 . 30550 1
343 . 1 . 1 29 29 VAL C C 13 177.567 0.1 . 1 . . 693 . A 29 VAL C . 30550 1
344 . 1 . 1 29 29 VAL CA C 13 66.846 0.027 . 1 . . 474 . A 29 VAL CA . 30550 1
345 . 1 . 1 29 29 VAL CB C 13 31.182 0.035 . 1 . . 475 . A 29 VAL CB . 30550 1
346 . 1 . 1 29 29 VAL CG1 C 13 21.502 0.056 . 1 . . 587 . A 29 VAL CG1 . 30550 1
347 . 1 . 1 29 29 VAL CG2 C 13 23.868 0.06 . 1 . . 586 . A 29 VAL CG2 . 30550 1
348 . 1 . 1 29 29 VAL N N 15 117.633 0.023 . 1 . . 138 . A 29 VAL N . 30550 1
349 . 1 . 1 30 30 GLU H H 1 7.272 0.005 . 1 . . 224 . A 30 GLU H . 30550 1
350 . 1 . 1 30 30 GLU HA H 1 3.830 0.018 . 1 . . 1036 . A 30 GLU HA . 30550 1
351 . 1 . 1 30 30 GLU HB2 H 1 1.878 0.011 . 2 . . 1037 . A 30 GLU HB2 . 30550 1
352 . 1 . 1 30 30 GLU HB3 H 1 1.953 0.015 . 2 . . 1038 . A 30 GLU HB3 . 30550 1
353 . 1 . 1 30 30 GLU HG2 H 1 2.239 0.019 . 2 . . 1039 . A 30 GLU HG2 . 30550 1
354 . 1 . 1 30 30 GLU HG3 H 1 2.281 0.015 . 2 . . 1040 . A 30 GLU HG3 . 30550 1
355 . 1 . 1 30 30 GLU C C 13 179.103 0.1 . 1 . . 715 . A 30 GLU C . 30550 1
356 . 1 . 1 30 30 GLU CA C 13 58.642 0.03 . 1 . . 472 . A 30 GLU CA . 30550 1
357 . 1 . 1 30 30 GLU CB C 13 29.264 0.018 . 1 . . 473 . A 30 GLU CB . 30550 1
358 . 1 . 1 30 30 GLU CG C 13 35.861 0.024 . 1 . . 585 . A 30 GLU CG . 30550 1
359 . 1 . 1 30 30 GLU N N 15 114.563 0.032 . 1 . . 225 . A 30 GLU N . 30550 1
360 . 1 . 1 31 31 LYS H H 1 6.737 0.007 . 1 . . 145 . A 31 LYS H . 30550 1
361 . 1 . 1 31 31 LYS HA H 1 3.817 0.007 . 1 . . 1033 . A 31 LYS HA . 30550 1
362 . 1 . 1 31 31 LYS HB2 H 1 1.682 0.007 . 1 . . 1034 . A 31 LYS HB2 . 30550 1
363 . 1 . 1 31 31 LYS HB3 H 1 1.939 0.008 . 1 . . 1035 . A 31 LYS HB3 . 30550 1
364 . 1 . 1 31 31 LYS HG2 H 1 1.167 0.005 . 2 . . 1236 . A 31 LYS HG2 . 30550 1
365 . 1 . 1 31 31 LYS HG3 H 1 1.396 0.005 . 2 . . 1238 . A 31 LYS HG3 . 30550 1
366 . 1 . 1 31 31 LYS HD2 H 1 1.013 0.006 . 2 . . 1239 . A 31 LYS HD2 . 30550 1
367 . 1 . 1 31 31 LYS HD3 H 1 1.289 0.002 . 2 . . 1241 . A 31 LYS HD3 . 30550 1
368 . 1 . 1 31 31 LYS HE2 H 1 2.660 0.003 . 1 . . 1430 . A 31 LYS HE2 . 30550 1
369 . 1 . 1 31 31 LYS HE3 H 1 2.660 0.003 . 1 . . 1431 . A 31 LYS HE3 . 30550 1
370 . 1 . 1 31 31 LYS CA C 13 60.087 0.058 . 1 . . 471 . A 31 LYS CA . 30550 1
371 . 1 . 1 31 31 LYS CB C 13 31.022 0.017 . 1 . . 470 . A 31 LYS CB . 30550 1
372 . 1 . 1 31 31 LYS CG C 13 25.793 0.043 . 1 . . 1237 . A 31 LYS CG . 30550 1
373 . 1 . 1 31 31 LYS CD C 13 29.876 0.027 . 1 . . 1240 . A 31 LYS CD . 30550 1
374 . 1 . 1 31 31 LYS CE C 13 42.069 0.1 . 1 . . 1432 . A 31 LYS CE . 30550 1
375 . 1 . 1 31 31 LYS N N 15 119.156 0.015 . 1 . . 146 . A 31 LYS N . 30550 1
376 . 1 . 1 32 32 PHE H H 1 8.325 0.004 . 1 . . 98 . A 32 PHE H . 30550 1
377 . 1 . 1 32 32 PHE HA H 1 3.906 0.004 . 1 . . 1030 . A 32 PHE HA . 30550 1
378 . 1 . 1 32 32 PHE HB2 H 1 3.099 0.018 . 1 . . 1031 . A 32 PHE HB2 . 30550 1
379 . 1 . 1 32 32 PHE HB3 H 1 3.344 0.005 . 1 . . 1032 . A 32 PHE HB3 . 30550 1
380 . 1 . 1 32 32 PHE HD1 H 1 6.791 0.023 . 1 . . 1311 . A 32 PHE HD1 . 30550 1
381 . 1 . 1 32 32 PHE HD2 H 1 6.791 0.023 . 1 . . 1311 . A 32 PHE HD2 . 30550 1
382 . 1 . 1 32 32 PHE HE1 H 1 6.812 0.01 . 1 . . 1312 . A 32 PHE HE1 . 30550 1
383 . 1 . 1 32 32 PHE HE2 H 1 6.812 0.01 . 1 . . 1312 . A 32 PHE HE2 . 30550 1
384 . 1 . 1 32 32 PHE HZ H 1 6.786 0.006 . 1 . . 1456 . A 32 PHE HZ . 30550 1
385 . 1 . 1 32 32 PHE C C 13 180.412 0.1 . 1 . . 678 . A 32 PHE C . 30550 1
386 . 1 . 1 32 32 PHE CA C 13 56.934 0.023 . 1 . . 469 . A 32 PHE CA . 30550 1
387 . 1 . 1 32 32 PHE CB C 13 36.791 0.048 . 1 . . 468 . A 32 PHE CB . 30550 1
388 . 1 . 1 32 32 PHE N N 15 120.870 0.024 . 1 . . 99 . A 32 PHE N . 30550 1
389 . 1 . 1 33 33 LYS H H 1 7.849 0.006 . 1 . . 21 . A 33 LYS H . 30550 1
390 . 1 . 1 33 33 LYS HA H 1 4.009 0.007 . 1 . . 1027 . A 33 LYS HA . 30550 1
391 . 1 . 1 33 33 LYS HB2 H 1 1.920 0.011 . 1 . . 1029 . A 33 LYS HB2 . 30550 1
392 . 1 . 1 33 33 LYS HB3 H 1 1.770 0.017 . 1 . . 1028 . A 33 LYS HB3 . 30550 1
393 . 1 . 1 33 33 LYS HG2 H 1 1.718 0.005 . 2 . . 1234 . A 33 LYS HG2 . 30550 1
394 . 1 . 1 33 33 LYS HG3 H 1 1.431 0.003 . 2 . . 1235 . A 33 LYS HG3 . 30550 1
395 . 1 . 1 33 33 LYS C C 13 177.927 0.1 . 1 . . 676 . A 33 LYS C . 30550 1
396 . 1 . 1 33 33 LYS CA C 13 59.258 0.046 . 1 . . 466 . A 33 LYS CA . 30550 1
397 . 1 . 1 33 33 LYS CB C 13 33.053 0.014 . 1 . . 467 . A 33 LYS CB . 30550 1
398 . 1 . 1 33 33 LYS CG C 13 26.041 0.03 . 1 . . 583 . A 33 LYS CG . 30550 1
399 . 1 . 1 33 33 LYS CD C 13 29.957 0.1 . 1 . . 584 . A 33 LYS CD . 30550 1
400 . 1 . 1 33 33 LYS N N 15 116.178 0.017 . 1 . . 22 . A 33 LYS N . 30550 1
401 . 1 . 1 34 34 LYS H H 1 7.502 0.008 . 1 . . 9 . A 34 LYS H . 30550 1
402 . 1 . 1 34 34 LYS HA H 1 4.549 0.005 . 1 . . 1024 . A 34 LYS HA . 30550 1
403 . 1 . 1 34 34 LYS HB2 H 1 1.889 0.008 . 1 . . 1025 . A 34 LYS HB2 . 30550 1
404 . 1 . 1 34 34 LYS HB3 H 1 1.998 0.019 . 1 . . 1026 . A 34 LYS HB3 . 30550 1
405 . 1 . 1 34 34 LYS C C 13 175.338 0.1 . 1 . . 652 . A 34 LYS C . 30550 1
406 . 1 . 1 34 34 LYS CA C 13 55.474 0.037 . 1 . . 464 . A 34 LYS CA . 30550 1
407 . 1 . 1 34 34 LYS CB C 13 32.233 0.032 . 1 . . 465 . A 34 LYS CB . 30550 1
408 . 1 . 1 34 34 LYS CG C 13 24.788 0.1 . 1 . . 580 . A 34 LYS CG . 30550 1
409 . 1 . 1 34 34 LYS CD C 13 29.395 0.1 . 1 . . 581 . A 34 LYS CD . 30550 1
410 . 1 . 1 34 34 LYS CE C 13 42.712 0.1 . 1 . . 582 . A 34 LYS CE . 30550 1
411 . 1 . 1 34 34 LYS N N 15 117.787 0.014 . 1 . . 10 . A 34 LYS N . 30550 1
412 . 1 . 1 35 35 TRP H H 1 8.283 0.007 . 1 . . 253 . A 35 TRP H . 30550 1
413 . 1 . 1 35 35 TRP HA H 1 3.694 0.004 . 1 . . 1021 . A 35 TRP HA . 30550 1
414 . 1 . 1 35 35 TRP HB2 H 1 3.319 0.009 . 2 . . 1022 . A 35 TRP HB2 . 30550 1
415 . 1 . 1 35 35 TRP HB3 H 1 3.863 0.012 . 2 . . 1023 . A 35 TRP HB3 . 30550 1
416 . 1 . 1 35 35 TRP HD1 H 1 7.417 0.006 . 1 . . 1262 . A 35 TRP HD1 . 30550 1
417 . 1 . 1 35 35 TRP HE1 H 1 10.294 0.003 . 1 . . 177 . A 35 TRP HE1 . 30550 1
418 . 1 . 1 35 35 TRP HE3 H 1 7.967 0.011 . 1 . . 1256 . A 35 TRP HE3 . 30550 1
419 . 1 . 1 35 35 TRP HZ2 H 1 7.442 0.009 . 1 . . 1250 . A 35 TRP HZ2 . 30550 1
420 . 1 . 1 35 35 TRP HZ3 H 1 7.195 0.005 . 1 . . 1258 . A 35 TRP HZ3 . 30550 1
421 . 1 . 1 35 35 TRP HH2 H 1 7.107 0.009 . 1 . . 1260 . A 35 TRP HH2 . 30550 1
422 . 1 . 1 35 35 TRP C C 13 173.828 0.1 . 1 . . 707 . A 35 TRP C . 30550 1
423 . 1 . 1 35 35 TRP CA C 13 58.686 0.017 . 1 . . 462 . A 35 TRP CA . 30550 1
424 . 1 . 1 35 35 TRP CB C 13 25.474 0.031 . 1 . . 463 . A 35 TRP CB . 30550 1
425 . 1 . 1 35 35 TRP CD1 C 13 127.459 0.052 . 1 . . 1263 . A 35 TRP CD1 . 30550 1
426 . 1 . 1 35 35 TRP CE3 C 13 120.488 0.105 . 1 . . 1257 . A 35 TRP CE3 . 30550 1
427 . 1 . 1 35 35 TRP CZ2 C 13 114.227 0.068 . 1 . . 1251 . A 35 TRP CZ2 . 30550 1
428 . 1 . 1 35 35 TRP CZ3 C 13 121.585 0.057 . 1 . . 1259 . A 35 TRP CZ3 . 30550 1
429 . 1 . 1 35 35 TRP CH2 C 13 123.670 0.03 . 1 . . 1261 . A 35 TRP CH2 . 30550 1
430 . 1 . 1 35 35 TRP N N 15 119.245 0.016 . 1 . . 252 . A 35 TRP N . 30550 1
431 . 1 . 1 35 35 TRP NE1 N 15 129.564 0.019 . 1 . . 178 . A 35 TRP NE1 . 30550 1
432 . 1 . 1 36 36 GLU H H 1 7.577 0.006 . 1 . . 35 . A 36 GLU H . 30550 1
433 . 1 . 1 36 36 GLU HA H 1 4.348 0.004 . 1 . . 1016 . A 36 GLU HA . 30550 1
434 . 1 . 1 36 36 GLU HB2 H 1 1.685 0.012 . 2 . . 1017 . A 36 GLU HB2 . 30550 1
435 . 1 . 1 36 36 GLU HB3 H 1 1.704 0.01 . 2 . . 1018 . A 36 GLU HB3 . 30550 1
436 . 1 . 1 36 36 GLU HG2 H 1 1.928 0.006 . 2 . . 1019 . A 36 GLU HG2 . 30550 1
437 . 1 . 1 36 36 GLU HG3 H 1 2.143 0.007 . 2 . . 1020 . A 36 GLU HG3 . 30550 1
438 . 1 . 1 36 36 GLU C C 13 173.187 0.1 . 1 . . 677 . A 36 GLU C . 30550 1
439 . 1 . 1 36 36 GLU CA C 13 54.974 0.027 . 1 . . 458 . A 36 GLU CA . 30550 1
440 . 1 . 1 36 36 GLU CB C 13 30.616 0.018 . 1 . . 459 . A 36 GLU CB . 30550 1
441 . 1 . 1 36 36 GLU CG C 13 35.823 0.034 . 1 . . 579 . A 36 GLU CG . 30550 1
442 . 1 . 1 36 36 GLU N N 15 121.285 0.016 . 1 . . 36 . A 36 GLU N . 30550 1
443 . 1 . 1 37 37 PHE H H 1 8.102 0.008 . 1 . . 130 . A 37 PHE H . 30550 1
444 . 1 . 1 37 37 PHE HA H 1 5.188 0.008 . 1 . . 1015 . A 37 PHE HA . 30550 1
445 . 1 . 1 37 37 PHE HB2 H 1 3.104 0.011 . 1 . . 1287 . A 37 PHE HB2 . 30550 1
446 . 1 . 1 37 37 PHE HB3 H 1 3.104 0.011 . 1 . . 1286 . A 37 PHE HB3 . 30550 1
447 . 1 . 1 37 37 PHE HD1 H 1 7.127 0.016 . 1 . . 1310 . A 37 PHE HD1 . 30550 1
448 . 1 . 1 37 37 PHE HD2 H 1 7.127 0.016 . 1 . . 1310 . A 37 PHE HD2 . 30550 1
449 . 1 . 1 37 37 PHE HE1 H 1 6.581 0.023 . 1 . . 1414 . A 37 PHE HE1 . 30550 1
450 . 1 . 1 37 37 PHE HE2 H 1 6.581 0.023 . 1 . . 1414 . A 37 PHE HE2 . 30550 1
451 . 1 . 1 37 37 PHE HZ H 1 6.650 0.004 . 1 . . 1454 . A 37 PHE HZ . 30550 1
452 . 1 . 1 37 37 PHE CA C 13 54.479 0.086 . 1 . . 461 . A 37 PHE CA . 30550 1
453 . 1 . 1 37 37 PHE CB C 13 40.067 0.079 . 1 . . 460 . A 37 PHE CB . 30550 1
454 . 1 . 1 37 37 PHE CD1 C 13 132.700 0.045 . 1 . . 1412 . A 37 PHE CD1 . 30550 1
455 . 1 . 1 37 37 PHE CD2 C 13 132.700 0.045 . 1 . . 1412 . A 37 PHE CD2 . 30550 1
456 . 1 . 1 37 37 PHE CE1 C 13 130.460 0.036 . 1 . . 1415 . A 37 PHE CE1 . 30550 1
457 . 1 . 1 37 37 PHE CE2 C 13 130.460 0.036 . 1 . . 1415 . A 37 PHE CE2 . 30550 1
458 . 1 . 1 37 37 PHE N N 15 119.303 0.014 . 1 . . 131 . A 37 PHE N . 30550 1
459 . 1 . 1 38 38 PRO HA H 1 4.350 0.004 . 1 . . 1007 . A 38 PRO HA . 30550 1
460 . 1 . 1 38 38 PRO HB2 H 1 1.942 0.009 . 2 . . 1008 . A 38 PRO HB2 . 30550 1
461 . 1 . 1 38 38 PRO HB3 H 1 2.290 0.005 . 2 . . 1009 . A 38 PRO HB3 . 30550 1
462 . 1 . 1 38 38 PRO HG2 H 1 1.703 0.014 . 2 . . 1013 . A 38 PRO HG2 . 30550 1
463 . 1 . 1 38 38 PRO HG3 H 1 1.755 0.018 . 2 . . 1014 . A 38 PRO HG3 . 30550 1
464 . 1 . 1 38 38 PRO HD2 H 1 3.829 0.005 . 2 . . 1011 . A 38 PRO HD2 . 30550 1
465 . 1 . 1 38 38 PRO HD3 H 1 4.156 0.007 . 2 . . 1012 . A 38 PRO HD3 . 30550 1
466 . 1 . 1 38 38 PRO C C 13 175.735 0.1 . 1 . . 712 . A 38 PRO C . 30550 1
467 . 1 . 1 38 38 PRO CA C 13 62.565 0.022 . 1 . . 456 . A 38 PRO CA . 30550 1
468 . 1 . 1 38 38 PRO CB C 13 32.169 0.028 . 1 . . 457 . A 38 PRO CB . 30550 1
469 . 1 . 1 38 38 PRO CG C 13 27.866 0.051 . 1 . . 578 . A 38 PRO CG . 30550 1
470 . 1 . 1 38 38 PRO CD C 13 50.481 0.011 . 1 . . 1010 . A 38 PRO CD . 30550 1
471 . 1 . 1 39 39 GLU H H 1 8.485 0.009 . 1 . . 45 . A 39 GLU H . 30550 1
472 . 1 . 1 39 39 GLU HA H 1 3.973 0.005 . 1 . . 1002 . A 39 GLU HA . 30550 1
473 . 1 . 1 39 39 GLU HB2 H 1 1.952 0.004 . 2 . . 1003 . A 39 GLU HB2 . 30550 1
474 . 1 . 1 39 39 GLU HB3 H 1 1.998 0.025 . 2 . . 1004 . A 39 GLU HB3 . 30550 1
475 . 1 . 1 39 39 GLU HG2 H 1 2.257 0.016 . 2 . . 1005 . A 39 GLU HG2 . 30550 1
476 . 1 . 1 39 39 GLU HG3 H 1 2.286 0.02 . 2 . . 1006 . A 39 GLU HG3 . 30550 1
477 . 1 . 1 39 39 GLU C C 13 174.688 0.1 . 1 . . 703 . A 39 GLU C . 30550 1
478 . 1 . 1 39 39 GLU CA C 13 55.303 0.022 . 1 . . 454 . A 39 GLU CA . 30550 1
479 . 1 . 1 39 39 GLU CB C 13 27.481 0.042 . 1 . . 455 . A 39 GLU CB . 30550 1
480 . 1 . 1 39 39 GLU CG C 13 36.890 0.046 . 1 . . 577 . A 39 GLU CG . 30550 1
481 . 1 . 1 39 39 GLU N N 15 122.594 0.025 . 1 . . 46 . A 39 GLU N . 30550 1
482 . 1 . 1 40 40 ASP H H 1 7.950 0.004 . 1 . . 247 . A 40 ASP H . 30550 1
483 . 1 . 1 40 40 ASP HA H 1 4.705 0.005 . 1 . . 999 . A 40 ASP HA . 30550 1
484 . 1 . 1 40 40 ASP HB2 H 1 2.711 0.005 . 2 . . 1000 . A 40 ASP HB2 . 30550 1
485 . 1 . 1 40 40 ASP HB3 H 1 3.162 0.007 . 2 . . 1001 . A 40 ASP HB3 . 30550 1
486 . 1 . 1 40 40 ASP C C 13 175.521 0.1 . 1 . . 649 . A 40 ASP C . 30550 1
487 . 1 . 1 40 40 ASP CA C 13 51.475 0.021 . 1 . . 453 . A 40 ASP CA . 30550 1
488 . 1 . 1 40 40 ASP CB C 13 42.602 0.05 . 1 . . 452 . A 40 ASP CB . 30550 1
489 . 1 . 1 40 40 ASP N N 15 122.172 0.026 . 1 . . 246 . A 40 ASP N . 30550 1
490 . 1 . 1 41 41 ASP H H 1 8.821 0.009 . 1 . . 109 . A 41 ASP H . 30550 1
491 . 1 . 1 41 41 ASP HA H 1 4.413 0.004 . 1 . . 996 . A 41 ASP HA . 30550 1
492 . 1 . 1 41 41 ASP HB2 H 1 2.654 0.012 . 1 . . 997 . A 41 ASP HB2 . 30550 1
493 . 1 . 1 41 41 ASP HB3 H 1 2.741 0.029 . 1 . . 998 . A 41 ASP HB3 . 30550 1
494 . 1 . 1 41 41 ASP C C 13 178.493 0.1 . 1 . . 714 . A 41 ASP C . 30550 1
495 . 1 . 1 41 41 ASP CA C 13 58.706 0.036 . 1 . . 450 . A 41 ASP CA . 30550 1
496 . 1 . 1 41 41 ASP CB C 13 40.551 0.045 . 1 . . 451 . A 41 ASP CB . 30550 1
497 . 1 . 1 41 41 ASP N N 15 120.190 0.024 . 1 . . 110 . A 41 ASP N . 30550 1
498 . 1 . 1 42 42 THR H H 1 8.113 0.009 . 1 . . 33 . A 42 THR H . 30550 1
499 . 1 . 1 42 42 THR HA H 1 3.867 0.008 . 1 . . 992 . A 42 THR HA . 30550 1
500 . 1 . 1 42 42 THR HB H 1 4.014 0.011 . 1 . . 993 . A 42 THR HB . 30550 1
501 . 1 . 1 42 42 THR HG21 H 1 0.614 0.008 . 1 . . 994 . A 42 THR HG21 . 30550 1
502 . 1 . 1 42 42 THR HG22 H 1 0.614 0.008 . 1 . . 994 . A 42 THR HG22 . 30550 1
503 . 1 . 1 42 42 THR HG23 H 1 0.614 0.008 . 1 . . 994 . A 42 THR HG23 . 30550 1
504 . 1 . 1 42 42 THR C C 13 176.121 0.1 . 1 . . 662 . A 42 THR C . 30550 1
505 . 1 . 1 42 42 THR CA C 13 66.528 0.026 . 1 . . 449 . A 42 THR CA . 30550 1
506 . 1 . 1 42 42 THR CB C 13 68.715 0.018 . 1 . . 448 . A 42 THR CB . 30550 1
507 . 1 . 1 42 42 THR CG2 C 13 21.041 0.019 . 1 . . 995 . A 42 THR CG2 . 30550 1
508 . 1 . 1 42 42 THR N N 15 118.030 0.029 . 1 . . 34 . A 42 THR N . 30550 1
509 . 1 . 1 43 43 THR H H 1 8.219 0.009 . 1 . . 59 . A 43 THR H . 30550 1
510 . 1 . 1 43 43 THR HA H 1 3.943 0.005 . 1 . . 988 . A 43 THR HA . 30550 1
511 . 1 . 1 43 43 THR HB H 1 4.436 0.006 . 1 . . 989 . A 43 THR HB . 30550 1
512 . 1 . 1 43 43 THR HG1 H 1 5.231 0.004 . 1 . . 1339 . A 43 THR HG1 . 30550 1
513 . 1 . 1 43 43 THR HG21 H 1 1.459 0.006 . 1 . . 991 . A 43 THR HG21 . 30550 1
514 . 1 . 1 43 43 THR HG22 H 1 1.459 0.006 . 1 . . 991 . A 43 THR HG22 . 30550 1
515 . 1 . 1 43 43 THR HG23 H 1 1.459 0.006 . 1 . . 991 . A 43 THR HG23 . 30550 1
516 . 1 . 1 43 43 THR C C 13 177.160 0.1 . 1 . . 674 . A 43 THR C . 30550 1
517 . 1 . 1 43 43 THR CA C 13 66.897 0.026 . 1 . . 447 . A 43 THR CA . 30550 1
518 . 1 . 1 43 43 THR CB C 13 68.722 0.023 . 1 . . 446 . A 43 THR CB . 30550 1
519 . 1 . 1 43 43 THR CG2 C 13 23.654 0.033 . 1 . . 990 . A 43 THR CG2 . 30550 1
520 . 1 . 1 43 43 THR N N 15 119.806 0.019 . 1 . . 60 . A 43 THR N . 30550 1
521 . 1 . 1 44 44 MET H H 1 8.711 0.007 . 1 . . 167 . A 44 MET H . 30550 1
522 . 1 . 1 44 44 MET HA H 1 3.635 0.004 . 1 . . 985 . A 44 MET HA . 30550 1
523 . 1 . 1 44 44 MET HB2 H 1 1.970 0.01 . 1 . . 987 . A 44 MET HB2 . 30550 1
524 . 1 . 1 44 44 MET HB3 H 1 1.707 0.01 . 1 . . 986 . A 44 MET HB3 . 30550 1
525 . 1 . 1 44 44 MET HG2 H 1 1.317 0.005 . 2 . . 1335 . A 44 MET HG2 . 30550 1
526 . 1 . 1 44 44 MET HG3 H 1 2.482 0.004 . 2 . . 1336 . A 44 MET HG3 . 30550 1
527 . 1 . 1 44 44 MET HE1 H 1 1.539 0.008 . 1 . . 1211 . A 44 MET HE1 . 30550 1
528 . 1 . 1 44 44 MET HE2 H 1 1.539 0.008 . 1 . . 1211 . A 44 MET HE2 . 30550 1
529 . 1 . 1 44 44 MET HE3 H 1 1.539 0.008 . 1 . . 1211 . A 44 MET HE3 . 30550 1
530 . 1 . 1 44 44 MET C C 13 177.646 0.1 . 1 . . 637 . A 44 MET C . 30550 1
531 . 1 . 1 44 44 MET CA C 13 61.264 0.026 . 1 . . 445 . A 44 MET CA . 30550 1
532 . 1 . 1 44 44 MET CB C 13 32.045 0.072 . 1 . . 444 . A 44 MET CB . 30550 1
533 . 1 . 1 44 44 MET CG C 13 31.334 0.032 . 1 . . 576 . A 44 MET CG . 30550 1
534 . 1 . 1 44 44 MET CE C 13 18.083 0.015 . 1 . . 1212 . A 44 MET CE . 30550 1
535 . 1 . 1 44 44 MET N N 15 119.235 0.013 . 1 . . 168 . A 44 MET N . 30550 1
536 . 1 . 1 45 45 CYS H H 1 8.289 0.011 . 1 . . 197 . A 45 CYS H . 30550 1
537 . 1 . 1 45 45 CYS HA H 1 4.763 0.009 . 1 . . 982 . A 45 CYS HA . 30550 1
538 . 1 . 1 45 45 CYS HB2 H 1 3.144 0.002 . 2 . . 983 . A 45 CYS HB2 . 30550 1
539 . 1 . 1 45 45 CYS HB3 H 1 3.045 0.005 . 2 . . 984 . A 45 CYS HB3 . 30550 1
540 . 1 . 1 45 45 CYS C C 13 177.512 0.1 . 1 . . 675 . A 45 CYS C . 30550 1
541 . 1 . 1 45 45 CYS CA C 13 54.733 0.013 . 1 . . 442 . A 45 CYS CA . 30550 1
542 . 1 . 1 45 45 CYS CB C 13 37.011 0.057 . 1 . . 443 . A 45 CYS CB . 30550 1
543 . 1 . 1 45 45 CYS N N 15 113.581 0.023 . 1 . . 198 . A 45 CYS N . 30550 1
544 . 1 . 1 46 46 TYR H H 1 7.832 0.005 . 1 . . 228 . A 46 TYR H . 30550 1
545 . 1 . 1 46 46 TYR HA H 1 3.955 0.006 . 1 . . 979 . A 46 TYR HA . 30550 1
546 . 1 . 1 46 46 TYR HB2 H 1 3.058 0.01 . 1 . . 980 . A 46 TYR HB2 . 30550 1
547 . 1 . 1 46 46 TYR HB3 H 1 3.267 0.006 . 1 . . 981 . A 46 TYR HB3 . 30550 1
548 . 1 . 1 46 46 TYR HD1 H 1 6.356 0.025 . 1 . . 1279 . A 46 TYR HD1 . 30550 1
549 . 1 . 1 46 46 TYR HD2 H 1 6.356 0.025 . 1 . . 1279 . A 46 TYR HD2 . 30550 1
550 . 1 . 1 46 46 TYR HE1 H 1 6.445 0.017 . 1 . . 1274 . A 46 TYR HE1 . 30550 1
551 . 1 . 1 46 46 TYR HE2 H 1 6.445 0.017 . 1 . . 1274 . A 46 TYR HE2 . 30550 1
552 . 1 . 1 46 46 TYR C C 13 175.377 0.1 . 1 . . 709 . A 46 TYR C . 30550 1
553 . 1 . 1 46 46 TYR CA C 13 62.436 0.029 . 1 . . 440 . A 46 TYR CA . 30550 1
554 . 1 . 1 46 46 TYR CB C 13 37.196 0.018 . 1 . . 441 . A 46 TYR CB . 30550 1
555 . 1 . 1 46 46 TYR CD1 C 13 132.259 0.1 . 1 . . 1278 . A 46 TYR CD1 . 30550 1
556 . 1 . 1 46 46 TYR CD2 C 13 132.259 0.1 . 1 . . 1278 . A 46 TYR CD2 . 30550 1
557 . 1 . 1 46 46 TYR CE1 C 13 118.173 0.1 . 1 . . 1275 . A 46 TYR CE1 . 30550 1
558 . 1 . 1 46 46 TYR CE2 C 13 118.173 0.1 . 1 . . 1275 . A 46 TYR CE2 . 30550 1
559 . 1 . 1 46 46 TYR N N 15 126.093 0.018 . 1 . . 229 . A 46 TYR N . 30550 1
560 . 1 . 1 47 47 ILE H H 1 7.979 0.008 . 1 . . 27 . A 47 ILE H . 30550 1
561 . 1 . 1 47 47 ILE HA H 1 2.773 0.016 . 1 . . 972 . A 47 ILE HA . 30550 1
562 . 1 . 1 47 47 ILE HB H 1 1.811 0.005 . 1 . . 973 . A 47 ILE HB . 30550 1
563 . 1 . 1 47 47 ILE HG12 H 1 0.794 0.005 . 2 . . 974 . A 47 ILE HG12 . 30550 1
564 . 1 . 1 47 47 ILE HG13 H 1 1.337 0.003 . 2 . . 975 . A 47 ILE HG13 . 30550 1
565 . 1 . 1 47 47 ILE HG21 H 1 -0.617 0.009 . 1 . . 978 . A 47 ILE HG21 . 30550 1
566 . 1 . 1 47 47 ILE HG22 H 1 -0.617 0.009 . 1 . . 978 . A 47 ILE HG22 . 30550 1
567 . 1 . 1 47 47 ILE HG23 H 1 -0.617 0.009 . 1 . . 978 . A 47 ILE HG23 . 30550 1
568 . 1 . 1 47 47 ILE HD11 H 1 -0.466 0.01 . 1 . . 977 . A 47 ILE HD11 . 30550 1
569 . 1 . 1 47 47 ILE HD12 H 1 -0.466 0.01 . 1 . . 977 . A 47 ILE HD12 . 30550 1
570 . 1 . 1 47 47 ILE HD13 H 1 -0.466 0.01 . 1 . . 977 . A 47 ILE HD13 . 30550 1
571 . 1 . 1 47 47 ILE C C 13 176.728 0.1 . 1 . . 685 . A 47 ILE C . 30550 1
572 . 1 . 1 47 47 ILE CA C 13 60.915 0.031 . 1 . . 439 . A 47 ILE CA . 30550 1
573 . 1 . 1 47 47 ILE CB C 13 34.635 0.024 . 1 . . 438 . A 47 ILE CB . 30550 1
574 . 1 . 1 47 47 ILE CG1 C 13 27.196 0.04 . 1 . . 574 . A 47 ILE CG1 . 30550 1
575 . 1 . 1 47 47 ILE CG2 C 13 15.444 0.024 . 1 . . 575 . A 47 ILE CG2 . 30550 1
576 . 1 . 1 47 47 ILE CD1 C 13 7.839 0.058 . 1 . . 976 . A 47 ILE CD1 . 30550 1
577 . 1 . 1 47 47 ILE N N 15 119.923 0.012 . 1 . . 28 . A 47 ILE N . 30550 1
578 . 1 . 1 48 48 LYS H H 1 7.534 0.005 . 1 . . 209 . A 48 LYS H . 30550 1
579 . 1 . 1 48 48 LYS HA H 1 2.946 0.008 . 1 . . 969 . A 48 LYS HA . 30550 1
580 . 1 . 1 48 48 LYS HB2 H 1 1.519 0.015 . 1 . . 970 . A 48 LYS HB2 . 30550 1
581 . 1 . 1 48 48 LYS HB3 H 1 1.930 0.009 . 1 . . 971 . A 48 LYS HB3 . 30550 1
582 . 1 . 1 48 48 LYS HG2 H 1 1.265 0.004 . 1 . . 1315 . A 48 LYS HG2 . 30550 1
583 . 1 . 1 48 48 LYS HG3 H 1 1.265 0.004 . 1 . . 1314 . A 48 LYS HG3 . 30550 1
584 . 1 . 1 48 48 LYS HE2 H 1 3.103 0.009 . 1 . . 1435 . A 48 LYS HE2 . 30550 1
585 . 1 . 1 48 48 LYS HE3 H 1 3.103 0.009 . 1 . . 1436 . A 48 LYS HE3 . 30550 1
586 . 1 . 1 48 48 LYS C C 13 175.977 0.1 . 1 . . 657 . A 48 LYS C . 30550 1
587 . 1 . 1 48 48 LYS CA C 13 60.750 0.03 . 1 . . 437 . A 48 LYS CA . 30550 1
588 . 1 . 1 48 48 LYS CB C 13 31.904 0.033 . 1 . . 436 . A 48 LYS CB . 30550 1
589 . 1 . 1 48 48 LYS CG C 13 22.679 0.023 . 1 . . 1313 . A 48 LYS CG . 30550 1
590 . 1 . 1 48 48 LYS N N 15 117.224 0.028 . 1 . . 210 . A 48 LYS N . 30550 1
591 . 1 . 1 49 49 CYS H H 1 7.658 0.011 . 1 . . 153 . A 49 CYS H . 30550 1
592 . 1 . 1 49 49 CYS HA H 1 4.127 0.004 . 1 . . 966 . A 49 CYS HA . 30550 1
593 . 1 . 1 49 49 CYS HB2 H 1 3.288 0.01 . 1 . . 967 . A 49 CYS HB2 . 30550 1
594 . 1 . 1 49 49 CYS HB3 H 1 3.408 0.005 . 1 . . 968 . A 49 CYS HB3 . 30550 1
595 . 1 . 1 49 49 CYS C C 13 176.000 0.1 . 1 . . 695 . A 49 CYS C . 30550 1
596 . 1 . 1 49 49 CYS CA C 13 60.365 0.031 . 1 . . 435 . A 49 CYS CA . 30550 1
597 . 1 . 1 49 49 CYS CB C 13 40.788 0.031 . 1 . . 434 . A 49 CYS CB . 30550 1
598 . 1 . 1 49 49 CYS N N 15 117.831 0.023 . 1 . . 154 . A 49 CYS N . 30550 1
599 . 1 . 1 50 50 VAL H H 1 8.021 0.007 . 1 . . 82 . A 50 VAL H . 30550 1
600 . 1 . 1 50 50 VAL HA H 1 3.197 0.006 . 1 . . 962 . A 50 VAL HA . 30550 1
601 . 1 . 1 50 50 VAL HB H 1 1.565 0.006 . 1 . . 961 . A 50 VAL HB . 30550 1
602 . 1 . 1 50 50 VAL HG11 H 1 0.894 0.003 . 1 . . 965 . A 50 VAL HG11 . 30550 1
603 . 1 . 1 50 50 VAL HG12 H 1 0.894 0.003 . 1 . . 965 . A 50 VAL HG12 . 30550 1
604 . 1 . 1 50 50 VAL HG13 H 1 0.894 0.003 . 1 . . 965 . A 50 VAL HG13 . 30550 1
605 . 1 . 1 50 50 VAL HG21 H 1 0.395 0.004 . 1 . . 964 . A 50 VAL HG21 . 30550 1
606 . 1 . 1 50 50 VAL HG22 H 1 0.395 0.004 . 1 . . 964 . A 50 VAL HG22 . 30550 1
607 . 1 . 1 50 50 VAL HG23 H 1 0.395 0.004 . 1 . . 964 . A 50 VAL HG23 . 30550 1
608 . 1 . 1 50 50 VAL C C 13 178.163 0.1 . 1 . . 633 . A 50 VAL C . 30550 1
609 . 1 . 1 50 50 VAL CA C 13 67.390 0.023 . 1 . . 432 . A 50 VAL CA . 30550 1
610 . 1 . 1 50 50 VAL CB C 13 31.643 0.013 . 1 . . 433 . A 50 VAL CB . 30550 1
611 . 1 . 1 50 50 VAL CG1 C 13 22.636 0.055 . 1 . . 963 . A 50 VAL CG1 . 30550 1
612 . 1 . 1 50 50 VAL CG2 C 13 22.658 0.04 . 1 . . 1227 . A 50 VAL CG2 . 30550 1
613 . 1 . 1 50 50 VAL N N 15 121.402 0.013 . 1 . . 83 . A 50 VAL N . 30550 1
614 . 1 . 1 51 51 PHE H H 1 8.635 0.007 . 1 . . 255 . A 51 PHE H . 30550 1
615 . 1 . 1 51 51 PHE HA H 1 4.224 0.006 . 1 . . 958 . A 51 PHE HA . 30550 1
616 . 1 . 1 51 51 PHE HB2 H 1 3.087 0.021 . 1 . . 959 . A 51 PHE HB2 . 30550 1
617 . 1 . 1 51 51 PHE HB3 H 1 3.022 0.01 . 1 . . 960 . A 51 PHE HB3 . 30550 1
618 . 1 . 1 51 51 PHE HD1 H 1 6.734 0.025 . 1 . . 1298 . A 51 PHE HD1 . 30550 1
619 . 1 . 1 51 51 PHE HD2 H 1 6.734 0.025 . 1 . . 1298 . A 51 PHE HD2 . 30550 1
620 . 1 . 1 51 51 PHE HE1 H 1 6.833 0.012 . 1 . . 1300 . A 51 PHE HE1 . 30550 1
621 . 1 . 1 51 51 PHE HE2 H 1 6.833 0.012 . 1 . . 1300 . A 51 PHE HE2 . 30550 1
622 . 1 . 1 51 51 PHE C C 13 179.705 0.1 . 1 . . 653 . A 51 PHE C . 30550 1
623 . 1 . 1 51 51 PHE CA C 13 58.452 0.048 . 1 . . 431 . A 51 PHE CA . 30550 1
624 . 1 . 1 51 51 PHE CB C 13 37.270 0.047 . 1 . . 430 . A 51 PHE CB . 30550 1
625 . 1 . 1 51 51 PHE CD1 C 13 128.515 0.019 . 1 . . 1307 . A 51 PHE CD1 . 30550 1
626 . 1 . 1 51 51 PHE CD2 C 13 128.515 0.019 . 1 . . 1307 . A 51 PHE CD2 . 30550 1
627 . 1 . 1 51 51 PHE CE1 C 13 130.450 0.033 . 1 . . 1411 . A 51 PHE CE1 . 30550 1
628 . 1 . 1 51 51 PHE CE2 C 13 130.450 0.033 . 1 . . 1411 . A 51 PHE CE2 . 30550 1
629 . 1 . 1 51 51 PHE N N 15 118.862 0.014 . 1 . . 254 . A 51 PHE N . 30550 1
630 . 1 . 1 52 52 ASN H H 1 9.533 0.006 . 1 . . 132 . A 52 ASN H . 30550 1
631 . 1 . 1 52 52 ASN HA H 1 4.763 0.007 . 1 . . 955 . A 52 ASN HA . 30550 1
632 . 1 . 1 52 52 ASN HB2 H 1 3.002 0.01 . 2 . . 956 . A 52 ASN HB2 . 30550 1
633 . 1 . 1 52 52 ASN HB3 H 1 3.250 0.006 . 2 . . 957 . A 52 ASN HB3 . 30550 1
634 . 1 . 1 52 52 ASN HD21 H 1 7.163 0.002 . 1 . . 134 . A 52 ASN HD21 . 30550 1
635 . 1 . 1 52 52 ASN HD22 H 1 7.916 0.003 . 1 . . 143 . A 52 ASN HD22 . 30550 1
636 . 1 . 1 52 52 ASN C C 13 179.258 0.1 . 1 . . 664 . A 52 ASN C . 30550 1
637 . 1 . 1 52 52 ASN CA C 13 56.715 0.014 . 1 . . 428 . A 52 ASN CA . 30550 1
638 . 1 . 1 52 52 ASN CB C 13 39.860 0.019 . 1 . . 429 . A 52 ASN CB . 30550 1
639 . 1 . 1 52 52 ASN N N 15 121.013 0.019 . 1 . . 133 . A 52 ASN N . 30550 1
640 . 1 . 1 52 52 ASN ND2 N 15 107.617 0.026 . 1 . . 135 . A 52 ASN ND2 . 30550 1
641 . 1 . 1 53 53 LYS H H 1 7.905 0.009 . 1 . . 53 . A 53 LYS H . 30550 1
642 . 1 . 1 53 53 LYS HA H 1 3.717 0.009 . 1 . . 954 . A 53 LYS HA . 30550 1
643 . 1 . 1 53 53 LYS HB2 H 1 1.315 0.006 . 1 . . 953 . A 53 LYS HB2 . 30550 1
644 . 1 . 1 53 53 LYS HB3 H 1 0.412 0.007 . 1 . . 952 . A 53 LYS HB3 . 30550 1
645 . 1 . 1 53 53 LYS HG2 H 1 1.460 0.006 . 1 . . 1326 . A 53 LYS HG2 . 30550 1
646 . 1 . 1 53 53 LYS HG3 H 1 1.460 0.006 . 1 . . 1325 . A 53 LYS HG3 . 30550 1
647 . 1 . 1 53 53 LYS HD2 H 1 1.630 0.008 . 1 . . 1329 . A 53 LYS HD2 . 30550 1
648 . 1 . 1 53 53 LYS HD3 H 1 1.630 0.008 . 1 . . 1328 . A 53 LYS HD3 . 30550 1
649 . 1 . 1 53 53 LYS HE2 H 1 3.013 0.01 . 1 . . 1438 . A 53 LYS HE2 . 30550 1
650 . 1 . 1 53 53 LYS HE3 H 1 3.013 0.01 . 1 . . 1437 . A 53 LYS HE3 . 30550 1
651 . 1 . 1 53 53 LYS C C 13 177.923 0.1 . 1 . . 665 . A 53 LYS C . 30550 1
652 . 1 . 1 53 53 LYS CA C 13 59.444 0.032 . 1 . . 427 . A 53 LYS CA . 30550 1
653 . 1 . 1 53 53 LYS CB C 13 31.307 0.027 . 1 . . 426 . A 53 LYS CB . 30550 1
654 . 1 . 1 53 53 LYS CG C 13 26.765 0.041 . 1 . . 1324 . A 53 LYS CG . 30550 1
655 . 1 . 1 53 53 LYS CD C 13 28.676 0.044 . 1 . . 1327 . A 53 LYS CD . 30550 1
656 . 1 . 1 53 53 LYS N N 15 121.952 0.015 . 1 . . 54 . A 53 LYS N . 30550 1
657 . 1 . 1 54 54 MET H H 1 7.831 0.008 . 1 . . 163 . A 54 MET H . 30550 1
658 . 1 . 1 54 54 MET HA H 1 3.961 0.008 . 1 . . 949 . A 54 MET HA . 30550 1
659 . 1 . 1 54 54 MET HB2 H 1 1.712 0.011 . 1 . . 950 . A 54 MET HB2 . 30550 1
660 . 1 . 1 54 54 MET HB3 H 1 2.426 0.015 . 1 . . 951 . A 54 MET HB3 . 30550 1
661 . 1 . 1 54 54 MET HG2 H 1 2.607 0.002 . 2 . . 1441 . A 54 MET HG2 . 30550 1
662 . 1 . 1 54 54 MET HG3 H 1 3.009 0.003 . 2 . . 1442 . A 54 MET HG3 . 30550 1
663 . 1 . 1 54 54 MET HE1 H 1 1.997 0.004 . 1 . . 1209 . A 54 MET HE1 . 30550 1
664 . 1 . 1 54 54 MET HE2 H 1 1.997 0.004 . 1 . . 1209 . A 54 MET HE2 . 30550 1
665 . 1 . 1 54 54 MET HE3 H 1 1.997 0.004 . 1 . . 1209 . A 54 MET HE3 . 30550 1
666 . 1 . 1 54 54 MET C C 13 174.638 0.1 . 1 . . 689 . A 54 MET C . 30550 1
667 . 1 . 1 54 54 MET CA C 13 57.084 0.028 . 1 . . 425 . A 54 MET CA . 30550 1
668 . 1 . 1 54 54 MET CB C 13 35.617 0.033 . 1 . . 424 . A 54 MET CB . 30550 1
669 . 1 . 1 54 54 MET CG C 13 34.567 0.042 . 1 . . 573 . A 54 MET CG . 30550 1
670 . 1 . 1 54 54 MET CE C 13 18.446 0.084 . 1 . . 1210 . A 54 MET CE . 30550 1
671 . 1 . 1 54 54 MET N N 15 114.285 0.038 . 1 . . 164 . A 54 MET N . 30550 1
672 . 1 . 1 55 55 GLN H H 1 7.852 0.004 . 1 . . 102 . A 55 GLN H . 30550 1
673 . 1 . 1 55 55 GLN HA H 1 4.021 0.004 . 1 . . 944 . A 55 GLN HA . 30550 1
674 . 1 . 1 55 55 GLN HB2 H 1 2.664 0.01 . 1 . . 945 . A 55 GLN HB2 . 30550 1
675 . 1 . 1 55 55 GLN HB3 H 1 2.353 0.009 . 1 . . 946 . A 55 GLN HB3 . 30550 1
676 . 1 . 1 55 55 GLN HG2 H 1 2.179 0.005 . 2 . . 947 . A 55 GLN HG2 . 30550 1
677 . 1 . 1 55 55 GLN HG3 H 1 2.328 0.006 . 2 . . 948 . A 55 GLN HG3 . 30550 1
678 . 1 . 1 55 55 GLN HE21 H 1 7.560 0.006 . 1 . . 11 . A 55 GLN HE21 . 30550 1
679 . 1 . 1 55 55 GLN HE22 H 1 6.671 0.003 . 1 . . 73 . A 55 GLN HE22 . 30550 1
680 . 1 . 1 55 55 GLN C C 13 173.946 0.1 . 1 . . 646 . A 55 GLN C . 30550 1
681 . 1 . 1 55 55 GLN CA C 13 57.177 0.035 . 1 . . 423 . A 55 GLN CA . 30550 1
682 . 1 . 1 55 55 GLN CB C 13 26.555 0.021 . 1 . . 422 . A 55 GLN CB . 30550 1
683 . 1 . 1 55 55 GLN CG C 13 34.724 0.021 . 1 . . 572 . A 55 GLN CG . 30550 1
684 . 1 . 1 55 55 GLN N N 15 112.952 0.028 . 1 . . 103 . A 55 GLN N . 30550 1
685 . 1 . 1 55 55 GLN NE2 N 15 111.544 0.044 . 1 . . 12 . A 55 GLN NE2 . 30550 1
686 . 1 . 1 56 56 LEU H H 1 8.323 0.007 . 1 . . 243 . A 56 LEU H . 30550 1
687 . 1 . 1 56 56 LEU HA H 1 4.507 0.006 . 1 . . 939 . A 56 LEU HA . 30550 1
688 . 1 . 1 56 56 LEU HB2 H 1 1.070 0.005 . 1 . . 940 . A 56 LEU HB2 . 30550 1
689 . 1 . 1 56 56 LEU HB3 H 1 1.278 0.016 . 1 . . 941 . A 56 LEU HB3 . 30550 1
690 . 1 . 1 56 56 LEU HG H 1 1.584 0.005 . 1 . . 1445 . A 56 LEU HG . 30550 1
691 . 1 . 1 56 56 LEU HD11 H 1 0.515 0.004 . 1 . . 942 . A 56 LEU HD11 . 30550 1
692 . 1 . 1 56 56 LEU HD12 H 1 0.515 0.004 . 1 . . 942 . A 56 LEU HD12 . 30550 1
693 . 1 . 1 56 56 LEU HD13 H 1 0.515 0.004 . 1 . . 942 . A 56 LEU HD13 . 30550 1
694 . 1 . 1 56 56 LEU HD21 H 1 0.615 0.014 . 1 . . 943 . A 56 LEU HD21 . 30550 1
695 . 1 . 1 56 56 LEU HD22 H 1 0.615 0.014 . 1 . . 943 . A 56 LEU HD22 . 30550 1
696 . 1 . 1 56 56 LEU HD23 H 1 0.615 0.014 . 1 . . 943 . A 56 LEU HD23 . 30550 1
697 . 1 . 1 56 56 LEU C C 13 176.236 0.1 . 1 . . 681 . A 56 LEU C . 30550 1
698 . 1 . 1 56 56 LEU CA C 13 54.315 0.067 . 1 . . 421 . A 56 LEU CA . 30550 1
699 . 1 . 1 56 56 LEU CB C 13 42.340 0.063 . 1 . . 420 . A 56 LEU CB . 30550 1
700 . 1 . 1 56 56 LEU CD1 C 13 25.396 0.053 . 1 . . 571 . A 56 LEU CD1 . 30550 1
701 . 1 . 1 56 56 LEU CD2 C 13 21.717 0.054 . 1 . . 570 . A 56 LEU CD2 . 30550 1
702 . 1 . 1 56 56 LEU N N 15 111.354 0.031 . 1 . . 244 . A 56 LEU N . 30550 1
703 . 1 . 1 57 57 PHE H H 1 7.034 0.004 . 1 . . 149 . A 57 PHE H . 30550 1
704 . 1 . 1 57 57 PHE HA H 1 4.412 0.006 . 1 . . 936 . A 57 PHE HA . 30550 1
705 . 1 . 1 57 57 PHE HB2 H 1 2.948 0.009 . 1 . . 938 . A 57 PHE HB2 . 30550 1
706 . 1 . 1 57 57 PHE HB3 H 1 2.539 0.009 . 1 . . 937 . A 57 PHE HB3 . 30550 1
707 . 1 . 1 57 57 PHE HD1 H 1 6.722 0.007 . 1 . . 1299 . A 57 PHE HD1 . 30550 1
708 . 1 . 1 57 57 PHE HD2 H 1 6.722 0.007 . 1 . . 1299 . A 57 PHE HD2 . 30550 1
709 . 1 . 1 57 57 PHE HE1 H 1 7.052 .01 . 1 . . 1302 . A 57 PHE HE1 . 30550 1
710 . 1 . 1 57 57 PHE HE2 H 1 7.052 .01 . 1 . . 1302 . A 57 PHE HE2 . 30550 1
711 . 1 . 1 57 57 PHE HZ H 1 7.248 0.014 . 1 . . 1455 . A 57 PHE HZ . 30550 1
712 . 1 . 1 57 57 PHE C C 13 172.110 0.1 . 1 . . 670 . A 57 PHE C . 30550 1
713 . 1 . 1 57 57 PHE CA C 13 57.637 0.034 . 1 . . 419 . A 57 PHE CA . 30550 1
714 . 1 . 1 57 57 PHE CB C 13 45.054 0.059 . 1 . . 418 . A 57 PHE CB . 30550 1
715 . 1 . 1 57 57 PHE N N 15 118.384 0.019 . 1 . . 150 . A 57 PHE N . 30550 1
716 . 1 . 1 58 58 ASP H H 1 7.888 0.006 . 1 . . 161 . A 58 ASP H . 30550 1
717 . 1 . 1 58 58 ASP HA H 1 4.792 .01 . 1 . . 935 . A 58 ASP HA . 30550 1
718 . 1 . 1 58 58 ASP HB2 H 1 2.286 0.01 . 2 . . 933 . A 58 ASP HB2 . 30550 1
719 . 1 . 1 58 58 ASP HB3 H 1 2.407 0.005 . 2 . . 934 . A 58 ASP HB3 . 30550 1
720 . 1 . 1 58 58 ASP C C 13 173.949 0.1 . 1 . . 673 . A 58 ASP C . 30550 1
721 . 1 . 1 58 58 ASP CA C 13 52.115 0.029 . 1 . . 417 . A 58 ASP CA . 30550 1
722 . 1 . 1 58 58 ASP CB C 13 47.224 0.017 . 1 . . 416 . A 58 ASP CB . 30550 1
723 . 1 . 1 58 58 ASP N N 15 132.851 0.027 . 1 . . 162 . A 58 ASP N . 30550 1
724 . 1 . 1 59 59 ASP H H 1 8.643 0.007 . 1 . . 1 . A 59 ASP H . 30550 1
725 . 1 . 1 59 59 ASP HA H 1 4.238 0.004 . 1 . . 930 . A 59 ASP HA . 30550 1
726 . 1 . 1 59 59 ASP HB2 H 1 2.670 0.007 . 1 . . 932 . A 59 ASP HB2 . 30550 1
727 . 1 . 1 59 59 ASP HB3 H 1 2.670 0.007 . 1 . . 931 . A 59 ASP HB3 . 30550 1
728 . 1 . 1 59 59 ASP C C 13 175.648 0.1 . 1 . . 651 . A 59 ASP C . 30550 1
729 . 1 . 1 59 59 ASP CA C 13 57.468 0.027 . 1 . . 415 . A 59 ASP CA . 30550 1
730 . 1 . 1 59 59 ASP CB C 13 39.534 0.025 . 1 . . 414 . A 59 ASP CB . 30550 1
731 . 1 . 1 59 59 ASP N N 15 124.990 0.046 . 1 . . 2 . A 59 ASP N . 30550 1
732 . 1 . 1 60 60 THR H H 1 8.151 0.004 . 1 . . 92 . A 60 THR H . 30550 1
733 . 1 . 1 60 60 THR HA H 1 4.480 0.009 . 1 . . 927 . A 60 THR HA . 30550 1
734 . 1 . 1 60 60 THR HB H 1 4.169 0.008 . 1 . . 928 . A 60 THR HB . 30550 1
735 . 1 . 1 60 60 THR HG21 H 1 1.221 0.006 . 1 . . 929 . A 60 THR HG21 . 30550 1
736 . 1 . 1 60 60 THR HG22 H 1 1.221 0.006 . 1 . . 929 . A 60 THR HG22 . 30550 1
737 . 1 . 1 60 60 THR HG23 H 1 1.221 0.006 . 1 . . 929 . A 60 THR HG23 . 30550 1
738 . 1 . 1 60 60 THR C C 13 175.708 0.1 . 1 . . 672 . A 60 THR C . 30550 1
739 . 1 . 1 60 60 THR CA C 13 64.648 0.04 . 1 . . 412 . A 60 THR CA . 30550 1
740 . 1 . 1 60 60 THR CB C 13 69.204 0.029 . 1 . . 413 . A 60 THR CB . 30550 1
741 . 1 . 1 60 60 THR CG2 C 13 21.758 0.034 . 1 . . 569 . A 60 THR CG2 . 30550 1
742 . 1 . 1 60 60 THR N N 15 112.253 0.016 . 1 . . 93 . A 60 THR N . 30550 1
743 . 1 . 1 61 61 GLU H H 1 9.140 0.008 . 1 . . 47 . A 61 GLU H . 30550 1
744 . 1 . 1 61 61 GLU HA H 1 4.228 0.009 . 1 . . 922 . A 61 GLU HA . 30550 1
745 . 1 . 1 61 61 GLU HB2 H 1 1.591 0.005 . 2 . . 923 . A 61 GLU HB2 . 30550 1
746 . 1 . 1 61 61 GLU HB3 H 1 1.931 0.011 . 2 . . 924 . A 61 GLU HB3 . 30550 1
747 . 1 . 1 61 61 GLU HG2 H 1 2.094 0.007 . 2 . . 925 . A 61 GLU HG2 . 30550 1
748 . 1 . 1 61 61 GLU HG3 H 1 2.215 0.011 . 2 . . 926 . A 61 GLU HG3 . 30550 1
749 . 1 . 1 61 61 GLU C C 13 176.605 0.1 . 1 . . 686 . A 61 GLU C . 30550 1
750 . 1 . 1 61 61 GLU CA C 13 57.051 0.055 . 1 . . 410 . A 61 GLU CA . 30550 1
751 . 1 . 1 61 61 GLU CB C 13 30.602 0.027 . 1 . . 409 . A 61 GLU CB . 30550 1
752 . 1 . 1 61 61 GLU CG C 13 36.047 0.035 . 1 . . 568 . A 61 GLU CG . 30550 1
753 . 1 . 1 61 61 GLU N N 15 120.924 0.016 . 1 . . 48 . A 61 GLU N . 30550 1
754 . 1 . 1 62 62 GLY H H 1 8.238 0.012 . 1 . . 157 . A 62 GLY H . 30550 1
755 . 1 . 1 62 62 GLY HA2 H 1 1.194 0.014 . 2 . . 920 . A 62 GLY HA2 . 30550 1
756 . 1 . 1 62 62 GLY HA3 H 1 3.203 0.014 . 2 . . 921 . A 62 GLY HA3 . 30550 1
757 . 1 . 1 62 62 GLY CA C 13 42.894 0.025 . 1 . . 411 . A 62 GLY CA . 30550 1
758 . 1 . 1 62 62 GLY N N 15 112.358 0.016 . 1 . . 158 . A 62 GLY N . 30550 1
759 . 1 . 1 63 63 PRO HA H 1 4.259 0.005 . 1 . . 914 . A 63 PRO HA . 30550 1
760 . 1 . 1 63 63 PRO HB2 H 1 1.517 0.005 . 2 . . 915 . A 63 PRO HB2 . 30550 1
761 . 1 . 1 63 63 PRO HB3 H 1 2.111 0.006 . 2 . . 916 . A 63 PRO HB3 . 30550 1
762 . 1 . 1 63 63 PRO HG2 H 1 2.071 0.004 . 2 . . 1232 . A 63 PRO HG2 . 30550 1
763 . 1 . 1 63 63 PRO HG3 H 1 2.136 0.01 . 2 . . 1233 . A 63 PRO HG3 . 30550 1
764 . 1 . 1 63 63 PRO HD2 H 1 2.790 0.004 . 2 . . 918 . A 63 PRO HD2 . 30550 1
765 . 1 . 1 63 63 PRO HD3 H 1 3.579 0.004 . 2 . . 919 . A 63 PRO HD3 . 30550 1
766 . 1 . 1 63 63 PRO C C 13 176.108 0.1 . 1 . . 656 . A 63 PRO C . 30550 1
767 . 1 . 1 63 63 PRO CA C 13 62.832 0.011 . 1 . . 407 . A 63 PRO CA . 30550 1
768 . 1 . 1 63 63 PRO CB C 13 32.053 0.04 . 1 . . 408 . A 63 PRO CB . 30550 1
769 . 1 . 1 63 63 PRO CG C 13 28.262 0.059 . 1 . . 1231 . A 63 PRO CG . 30550 1
770 . 1 . 1 63 63 PRO CD C 13 49.394 0.063 . 1 . . 917 . A 63 PRO CD . 30550 1
771 . 1 . 1 64 64 LEU H H 1 7.738 0.008 . 1 . . 220 . A 64 LEU H . 30550 1
772 . 1 . 1 64 64 LEU HA H 1 4.335 0.007 . 1 . . 909 . A 64 LEU HA . 30550 1
773 . 1 . 1 64 64 LEU HB2 H 1 1.518 0.009 . 1 . . 908 . A 64 LEU HB2 . 30550 1
774 . 1 . 1 64 64 LEU HB3 H 1 1.388 0.006 . 1 . . 907 . A 64 LEU HB3 . 30550 1
775 . 1 . 1 64 64 LEU HG H 1 1.229 0.006 . 1 . . 912 . A 64 LEU HG . 30550 1
776 . 1 . 1 64 64 LEU HD11 H 1 0.559 0.007 . 1 . . 911 . A 64 LEU HD11 . 30550 1
777 . 1 . 1 64 64 LEU HD12 H 1 0.559 0.007 . 1 . . 911 . A 64 LEU HD12 . 30550 1
778 . 1 . 1 64 64 LEU HD13 H 1 0.559 0.007 . 1 . . 911 . A 64 LEU HD13 . 30550 1
779 . 1 . 1 64 64 LEU HD21 H 1 0.554 0.005 . 1 . . 910 . A 64 LEU HD21 . 30550 1
780 . 1 . 1 64 64 LEU HD22 H 1 0.554 0.005 . 1 . . 910 . A 64 LEU HD22 . 30550 1
781 . 1 . 1 64 64 LEU HD23 H 1 0.554 0.005 . 1 . . 910 . A 64 LEU HD23 . 30550 1
782 . 1 . 1 64 64 LEU C C 13 175.977 0.1 . 1 . . 698 . A 64 LEU C . 30550 1
783 . 1 . 1 64 64 LEU CA C 13 52.865 0.024 . 1 . . 405 . A 64 LEU CA . 30550 1
784 . 1 . 1 64 64 LEU CB C 13 38.646 0.034 . 1 . . 406 . A 64 LEU CB . 30550 1
785 . 1 . 1 64 64 LEU CG C 13 25.794 0.018 . 1 . . 913 . A 64 LEU CG . 30550 1
786 . 1 . 1 64 64 LEU CD1 C 13 25.305 0.055 . 1 . . 566 . A 64 LEU CD1 . 30550 1
787 . 1 . 1 64 64 LEU CD2 C 13 22.675 0.044 . 1 . . 567 . A 64 LEU CD2 . 30550 1
788 . 1 . 1 64 64 LEU N N 15 126.293 0.028 . 1 . . 221 . A 64 LEU N . 30550 1
789 . 1 . 1 65 65 VAL H H 1 7.636 0.005 . 1 . . 100 . A 65 VAL H . 30550 1
790 . 1 . 1 65 65 VAL HA H 1 3.148 0.005 . 1 . . 903 . A 65 VAL HA . 30550 1
791 . 1 . 1 65 65 VAL HB H 1 1.903 0.006 . 1 . . 904 . A 65 VAL HB . 30550 1
792 . 1 . 1 65 65 VAL HG11 H 1 0.775 0.002 . 1 . . 905 . A 65 VAL HG11 . 30550 1
793 . 1 . 1 65 65 VAL HG12 H 1 0.775 0.002 . 1 . . 905 . A 65 VAL HG12 . 30550 1
794 . 1 . 1 65 65 VAL HG13 H 1 0.775 0.002 . 1 . . 905 . A 65 VAL HG13 . 30550 1
795 . 1 . 1 65 65 VAL HG21 H 1 0.882 0.008 . 1 . . 906 . A 65 VAL HG21 . 30550 1
796 . 1 . 1 65 65 VAL HG22 H 1 0.882 0.008 . 1 . . 906 . A 65 VAL HG22 . 30550 1
797 . 1 . 1 65 65 VAL HG23 H 1 0.882 0.008 . 1 . . 906 . A 65 VAL HG23 . 30550 1
798 . 1 . 1 65 65 VAL C C 13 176.418 0.1 . 1 . . 694 . A 65 VAL C . 30550 1
799 . 1 . 1 65 65 VAL CA C 13 68.078 0.039 . 1 . . 404 . A 65 VAL CA . 30550 1
800 . 1 . 1 65 65 VAL CB C 13 31.882 0.016 . 1 . . 403 . A 65 VAL CB . 30550 1
801 . 1 . 1 65 65 VAL CG1 C 13 20.723 0.06 . 1 . . 565 . A 65 VAL CG1 . 30550 1
802 . 1 . 1 65 65 VAL CG2 C 13 23.026 0.081 . 1 . . 1228 . A 65 VAL CG2 . 30550 1
803 . 1 . 1 65 65 VAL N N 15 123.197 0.017 . 1 . . 101 . A 65 VAL N . 30550 1
804 . 1 . 1 66 66 ASP H H 1 8.405 0.01 . 1 . . 181 . A 66 ASP H . 30550 1
805 . 1 . 1 66 66 ASP HA H 1 4.116 0.003 . 1 . . 900 . A 66 ASP HA . 30550 1
806 . 1 . 1 66 66 ASP HB2 H 1 2.497 0.021 . 2 . . 901 . A 66 ASP HB2 . 30550 1
807 . 1 . 1 66 66 ASP HB3 H 1 2.524 0.014 . 2 . . 902 . A 66 ASP HB3 . 30550 1
808 . 1 . 1 66 66 ASP C C 13 178.495 0.1 . 1 . . 706 . A 66 ASP C . 30550 1
809 . 1 . 1 66 66 ASP CA C 13 58.037 0.013 . 1 . . 401 . A 66 ASP CA . 30550 1
810 . 1 . 1 66 66 ASP CB C 13 39.524 0.021 . 1 . . 402 . A 66 ASP CB . 30550 1
811 . 1 . 1 66 66 ASP N N 15 117.841 0.032 . 1 . . 182 . A 66 ASP N . 30550 1
812 . 1 . 1 67 67 ASN H H 1 7.359 0.01 . 1 . . 121 . A 67 ASN H . 30550 1
813 . 1 . 1 67 67 ASN HA H 1 3.437 0.012 . 1 . . 897 . A 67 ASN HA . 30550 1
814 . 1 . 1 67 67 ASN HB2 H 1 2.614 0.008 . 1 . . 899 . A 67 ASN HB2 . 30550 1
815 . 1 . 1 67 67 ASN HB3 H 1 1.976 0.01 . 1 . . 898 . A 67 ASN HB3 . 30550 1
816 . 1 . 1 67 67 ASN HD21 H 1 7.065 0.015 . 1 . . 123 . A 67 ASN HD21 . 30550 1
817 . 1 . 1 67 67 ASN HD22 H 1 8.181 0.006 . 1 . . 263 . A 67 ASN HD22 . 30550 1
818 . 1 . 1 67 67 ASN CA C 13 55.076 0.017 . 1 . . 399 . A 67 ASN CA . 30550 1
819 . 1 . 1 67 67 ASN CB C 13 36.387 0.02 . 1 . . 400 . A 67 ASN CB . 30550 1
820 . 1 . 1 67 67 ASN N N 15 121.139 0.031 . 1 . . 122 . A 67 ASN N . 30550 1
821 . 1 . 1 67 67 ASN ND2 N 15 110.014 0.021 . 1 . . 262 . A 67 ASN ND2 . 30550 1
822 . 1 . 1 68 68 LEU H H 1 8.335 0.011 . 1 . . 90 . A 68 LEU H . 30550 1
823 . 1 . 1 68 68 LEU HA H 1 3.573 0.004 . 1 . . 892 . A 68 LEU HA . 30550 1
824 . 1 . 1 68 68 LEU HB2 H 1 2.068 0.013 . 1 . . 893 . A 68 LEU HB2 . 30550 1
825 . 1 . 1 68 68 LEU HB3 H 1 0.846 0.008 . 1 . . 894 . A 68 LEU HB3 . 30550 1
826 . 1 . 1 68 68 LEU HG H 1 1.533 0.006 . 1 . . 1225 . A 68 LEU HG . 30550 1
827 . 1 . 1 68 68 LEU HD11 H 1 0.657 0.008 . 1 . . 1229 . A 68 LEU HD11 . 30550 1
828 . 1 . 1 68 68 LEU HD12 H 1 0.657 0.008 . 1 . . 1229 . A 68 LEU HD12 . 30550 1
829 . 1 . 1 68 68 LEU HD13 H 1 0.657 0.008 . 1 . . 1229 . A 68 LEU HD13 . 30550 1
830 . 1 . 1 68 68 LEU HD21 H 1 0.653 0.007 . 1 . . 896 . A 68 LEU HD21 . 30550 1
831 . 1 . 1 68 68 LEU HD22 H 1 0.653 0.007 . 1 . . 896 . A 68 LEU HD22 . 30550 1
832 . 1 . 1 68 68 LEU HD23 H 1 0.653 0.007 . 1 . . 896 . A 68 LEU HD23 . 30550 1
833 . 1 . 1 68 68 LEU C C 13 178.284 0.1 . 1 . . 687 . A 68 LEU C . 30550 1
834 . 1 . 1 68 68 LEU CA C 13 58.636 0.037 . 1 . . 397 . A 68 LEU CA . 30550 1
835 . 1 . 1 68 68 LEU CB C 13 42.644 0.041 . 1 . . 398 . A 68 LEU CB . 30550 1
836 . 1 . 1 68 68 LEU CG C 13 27.496 0.042 . 1 . . 1226 . A 68 LEU CG . 30550 1
837 . 1 . 1 68 68 LEU CD1 C 13 26.533 0.039 . 1 . . 895 . A 68 LEU CD1 . 30550 1
838 . 1 . 1 68 68 LEU CD2 C 13 26.484 0.039 . 1 . . 1230 . A 68 LEU CD2 . 30550 1
839 . 1 . 1 68 68 LEU N N 15 121.183 0.019 . 1 . . 91 . A 68 LEU N . 30550 1
840 . 1 . 1 69 69 VAL H H 1 8.347 0.008 . 1 . . 191 . A 69 VAL H . 30550 1
841 . 1 . 1 69 69 VAL HA H 1 3.265 0.008 . 1 . . 890 . A 69 VAL HA . 30550 1
842 . 1 . 1 69 69 VAL HB H 1 2.032 0.007 . 1 . . 891 . A 69 VAL HB . 30550 1
843 . 1 . 1 69 69 VAL HG11 H 1 0.885 0.009 . 1 . . 1219 . A 69 VAL HG11 . 30550 1
844 . 1 . 1 69 69 VAL HG12 H 1 0.885 0.009 . 1 . . 1219 . A 69 VAL HG12 . 30550 1
845 . 1 . 1 69 69 VAL HG13 H 1 0.885 0.009 . 1 . . 1219 . A 69 VAL HG13 . 30550 1
846 . 1 . 1 69 69 VAL HG21 H 1 0.847 0.011 . 1 . . 1217 . A 69 VAL HG21 . 30550 1
847 . 1 . 1 69 69 VAL HG22 H 1 0.847 0.011 . 1 . . 1217 . A 69 VAL HG22 . 30550 1
848 . 1 . 1 69 69 VAL HG23 H 1 0.847 0.011 . 1 . . 1217 . A 69 VAL HG23 . 30550 1
849 . 1 . 1 69 69 VAL C C 13 177.272 0.1 . 1 . . 708 . A 69 VAL C . 30550 1
850 . 1 . 1 69 69 VAL CA C 13 67.281 0.011 . 1 . . 395 . A 69 VAL CA . 30550 1
851 . 1 . 1 69 69 VAL CB C 13 31.249 0.019 . 1 . . 396 . A 69 VAL CB . 30550 1
852 . 1 . 1 69 69 VAL CG1 C 13 21.918 0.015 . 1 . . 1220 . A 69 VAL CG1 . 30550 1
853 . 1 . 1 69 69 VAL CG2 C 13 23.309 0.016 . 1 . . 1218 . A 69 VAL CG2 . 30550 1
854 . 1 . 1 69 69 VAL N N 15 117.927 0.012 . 1 . . 192 . A 69 VAL N . 30550 1
855 . 1 . 1 70 70 HIS H H 1 7.736 0.007 . 1 . . 151 . A 70 HIS H . 30550 1
856 . 1 . 1 70 70 HIS HA H 1 4.390 0.008 . 1 . . 887 . A 70 HIS HA . 30550 1
857 . 1 . 1 70 70 HIS HB2 H 1 3.118 0.017 . 2 . . 888 . A 70 HIS HB2 . 30550 1
858 . 1 . 1 70 70 HIS HB3 H 1 3.146 0.011 . 2 . . 889 . A 70 HIS HB3 . 30550 1
859 . 1 . 1 70 70 HIS HD2 H 1 7.050 0.007 . 1 . . 1288 . A 70 HIS HD2 . 30550 1
860 . 1 . 1 70 70 HIS HE1 H 1 8.235 .01 . 1 . . 1334 . A 70 HIS HE1 . 30550 1
861 . 1 . 1 70 70 HIS C C 13 177.773 0.1 . 1 . . 688 . A 70 HIS C . 30550 1
862 . 1 . 1 70 70 HIS CA C 13 58.742 0.121 . 1 . . 394 . A 70 HIS CA . 30550 1
863 . 1 . 1 70 70 HIS CB C 13 29.829 0.03 . 1 . . 393 . A 70 HIS CB . 30550 1
864 . 1 . 1 70 70 HIS CD2 C 13 119.431 0.143 . 1 . . 1289 . A 70 HIS CD2 . 30550 1
865 . 1 . 1 70 70 HIS N N 15 117.924 0.141 . 1 . . 152 . A 70 HIS N . 30550 1
866 . 1 . 1 71 71 GLN H H 1 8.636 0.009 . 1 . . 96 . A 71 GLN H . 30550 1
867 . 1 . 1 71 71 GLN HA H 1 4.212 0.014 . 1 . . 886 . A 71 GLN HA . 30550 1
868 . 1 . 1 71 71 GLN HB2 H 1 2.675 0.011 . 1 . . 884 . A 71 GLN HB2 . 30550 1
869 . 1 . 1 71 71 GLN HB3 H 1 2.131 0.006 . 1 . . 885 . A 71 GLN HB3 . 30550 1
870 . 1 . 1 71 71 GLN HG2 H 1 2.303 0.005 . 2 . . 1215 . A 71 GLN HG2 . 30550 1
871 . 1 . 1 71 71 GLN HG3 H 1 2.131 0.009 . 2 . . 1216 . A 71 GLN HG3 . 30550 1
872 . 1 . 1 71 71 GLN HE21 H 1 6.484 0.005 . 1 . . 722 . A 71 GLN HE21 . 30550 1
873 . 1 . 1 71 71 GLN HE22 H 1 7.496 0.009 . 1 . . 724 . A 71 GLN HE22 . 30550 1
874 . 1 . 1 71 71 GLN C C 13 177.068 0.1 . 1 . . 691 . A 71 GLN C . 30550 1
875 . 1 . 1 71 71 GLN CA C 13 58.555 0.063 . 1 . . 392 . A 71 GLN CA . 30550 1
876 . 1 . 1 71 71 GLN CB C 13 28.482 0.043 . 1 . . 391 . A 71 GLN CB . 30550 1
877 . 1 . 1 71 71 GLN CG C 13 32.958 0.056 . 1 . . 564 . A 71 GLN CG . 30550 1
878 . 1 . 1 71 71 GLN N N 15 118.119 0.062 . 1 . . 97 . A 71 GLN N . 30550 1
879 . 1 . 1 71 71 GLN NE2 N 15 109.784 0.03 . 1 . . 723 . A 71 GLN NE2 . 30550 1
880 . 1 . 1 72 72 LEU H H 1 8.179 0.007 . 1 . . 218 . A 72 LEU H . 30550 1
881 . 1 . 1 72 72 LEU HA H 1 4.251 0.007 . 1 . . 881 . A 72 LEU HA . 30550 1
882 . 1 . 1 72 72 LEU HB2 H 1 1.833 0.006 . 1 . . 879 . A 72 LEU HB2 . 30550 1
883 . 1 . 1 72 72 LEU HB3 H 1 1.299 0.009 . 1 . . 880 . A 72 LEU HB3 . 30550 1
884 . 1 . 1 72 72 LEU HG H 1 1.643 0.005 . 1 . . 1214 . A 72 LEU HG . 30550 1
885 . 1 . 1 72 72 LEU HD11 H 1 0.418 0.004 . 1 . . 882 . A 72 LEU HD11 . 30550 1
886 . 1 . 1 72 72 LEU HD12 H 1 0.418 0.004 . 1 . . 882 . A 72 LEU HD12 . 30550 1
887 . 1 . 1 72 72 LEU HD13 H 1 0.418 0.004 . 1 . . 882 . A 72 LEU HD13 . 30550 1
888 . 1 . 1 72 72 LEU HD21 H 1 0.993 0.007 . 1 . . 883 . A 72 LEU HD21 . 30550 1
889 . 1 . 1 72 72 LEU HD22 H 1 0.993 0.007 . 1 . . 883 . A 72 LEU HD22 . 30550 1
890 . 1 . 1 72 72 LEU HD23 H 1 0.993 0.007 . 1 . . 883 . A 72 LEU HD23 . 30550 1
891 . 1 . 1 72 72 LEU C C 13 178.105 0.1 . 1 . . 659 . A 72 LEU C . 30550 1
892 . 1 . 1 72 72 LEU CA C 13 56.727 0.046 . 1 . . 389 . A 72 LEU CA . 30550 1
893 . 1 . 1 72 72 LEU CB C 13 45.188 0.034 . 1 . . 390 . A 72 LEU CB . 30550 1
894 . 1 . 1 72 72 LEU CG C 13 27.694 0.067 . 1 . . 1213 . A 72 LEU CG . 30550 1
895 . 1 . 1 72 72 LEU CD1 C 13 26.809 0.05 . 1 . . 562 . A 72 LEU CD1 . 30550 1
896 . 1 . 1 72 72 LEU CD2 C 13 23.707 0.04 . 1 . . 563 . A 72 LEU CD2 . 30550 1
897 . 1 . 1 72 72 LEU N N 15 114.666 0.036 . 1 . . 219 . A 72 LEU N . 30550 1
898 . 1 . 1 73 73 ALA H H 1 8.628 0.006 . 1 . . 41 . A 73 ALA H . 30550 1
899 . 1 . 1 73 73 ALA HA H 1 4.406 0.022 . 1 . . 877 . A 73 ALA HA . 30550 1
900 . 1 . 1 73 73 ALA HB1 H 1 1.401 0.013 . 1 . . 878 . A 73 ALA HB1 . 30550 1
901 . 1 . 1 73 73 ALA HB2 H 1 1.401 0.013 . 1 . . 878 . A 73 ALA HB2 . 30550 1
902 . 1 . 1 73 73 ALA HB3 H 1 1.401 0.013 . 1 . . 878 . A 73 ALA HB3 . 30550 1
903 . 1 . 1 73 73 ALA C C 13 177.240 0.1 . 1 . . 648 . A 73 ALA C . 30550 1
904 . 1 . 1 73 73 ALA CA C 13 52.963 0.052 . 1 . . 387 . A 73 ALA CA . 30550 1
905 . 1 . 1 73 73 ALA CB C 13 18.590 0.085 . 1 . . 388 . A 73 ALA CB . 30550 1
906 . 1 . 1 73 73 ALA N N 15 119.668 0.015 . 1 . . 42 . A 73 ALA N . 30550 1
907 . 1 . 1 74 74 HIS H H 1 8.257 0.012 . 1 . . 169 . A 74 HIS H . 30550 1
908 . 1 . 1 74 74 HIS HA H 1 4.497 0.012 . 1 . . 876 . A 74 HIS HA . 30550 1
909 . 1 . 1 74 74 HIS HB2 H 1 3.222 0.009 . 2 . . 874 . A 74 HIS HB2 . 30550 1
910 . 1 . 1 74 74 HIS HB3 H 1 3.429 0.017 . 2 . . 875 . A 74 HIS HB3 . 30550 1
911 . 1 . 1 74 74 HIS HD2 H 1 7.337 0.008 . 1 . . 1290 . A 74 HIS HD2 . 30550 1
912 . 1 . 1 74 74 HIS C C 13 175.701 0.1 . 1 . . 713 . A 74 HIS C . 30550 1
913 . 1 . 1 74 74 HIS CA C 13 56.215 0.19 . 1 . . 385 . A 74 HIS CA . 30550 1
914 . 1 . 1 74 74 HIS CB C 13 28.131 0.025 . 1 . . 386 . A 74 HIS CB . 30550 1
915 . 1 . 1 74 74 HIS CD2 C 13 120.138 0.103 . 1 . . 1291 . A 74 HIS CD2 . 30550 1
916 . 1 . 1 74 74 HIS N N 15 118.240 0.039 . 1 . . 170 . A 74 HIS N . 30550 1
917 . 1 . 1 75 75 GLY H H 1 8.842 0.007 . 1 . . 179 . A 75 GLY H . 30550 1
918 . 1 . 1 75 75 GLY HA2 H 1 3.684 0.004 . 2 . . 872 . A 75 GLY HA2 . 30550 1
919 . 1 . 1 75 75 GLY HA3 H 1 4.125 0.004 . 2 . . 873 . A 75 GLY HA3 . 30550 1
920 . 1 . 1 75 75 GLY C C 13 174.092 0.1 . 1 . . 697 . A 75 GLY C . 30550 1
921 . 1 . 1 75 75 GLY CA C 13 45.692 0.02 . 1 . . 384 . A 75 GLY CA . 30550 1
922 . 1 . 1 75 75 GLY N N 15 109.590 0.164 . 1 . . 180 . A 75 GLY N . 30550 1
923 . 1 . 1 76 76 ARG H H 1 7.790 0.006 . 1 . . 65 . A 76 ARG H . 30550 1
924 . 1 . 1 76 76 ARG HA H 1 4.487 0.01 . 1 . . 871 . A 76 ARG HA . 30550 1
925 . 1 . 1 76 76 ARG HB2 H 1 1.671 0.012 . 1 . . 869 . A 76 ARG HB2 . 30550 1
926 . 1 . 1 76 76 ARG HB3 H 1 1.868 0.008 . 1 . . 870 . A 76 ARG HB3 . 30550 1
927 . 1 . 1 76 76 ARG HG2 H 1 1.573 0.011 . 2 . . 1205 . A 76 ARG HG2 . 30550 1
928 . 1 . 1 76 76 ARG HG3 H 1 1.595 0.005 . 2 . . 1206 . A 76 ARG HG3 . 30550 1
929 . 1 . 1 76 76 ARG HD2 H 1 3.200 0.003 . 1 . . 1208 . A 76 ARG HD2 . 30550 1
930 . 1 . 1 76 76 ARG HD3 H 1 3.200 0.003 . 1 . . 1207 . A 76 ARG HD3 . 30550 1
931 . 1 . 1 76 76 ARG HE H 1 7.356 0.003 . 1 . . 265 . A 76 ARG HE . 30550 1
932 . 1 . 1 76 76 ARG C C 13 174.745 0.1 . 1 . . 632 . A 76 ARG C . 30550 1
933 . 1 . 1 76 76 ARG CA C 13 54.914 0.049 . 1 . . 383 . A 76 ARG CA . 30550 1
934 . 1 . 1 76 76 ARG CB C 13 31.849 0.035 . 1 . . 382 . A 76 ARG CB . 30550 1
935 . 1 . 1 76 76 ARG CG C 13 27.036 0.034 . 1 . . 561 . A 76 ARG CG . 30550 1
936 . 1 . 1 76 76 ARG CD C 13 43.164 0.027 . 1 . . 560 . A 76 ARG CD . 30550 1
937 . 1 . 1 76 76 ARG N N 15 120.149 0.116 . 1 . . 66 . A 76 ARG N . 30550 1
938 . 1 . 1 76 76 ARG NE N 15 84.694 0.037 . 1 . . 264 . A 76 ARG NE . 30550 1
939 . 1 . 1 77 77 ASP H H 1 8.423 0.008 . 1 . . 124 . A 77 ASP H . 30550 1
940 . 1 . 1 77 77 ASP HA H 1 4.520 0.007 . 1 . . 866 . A 77 ASP HA . 30550 1
941 . 1 . 1 77 77 ASP HB2 H 1 2.682 0.014 . 2 . . 867 . A 77 ASP HB2 . 30550 1
942 . 1 . 1 77 77 ASP HB3 H 1 2.773 0.027 . 2 . . 868 . A 77 ASP HB3 . 30550 1
943 . 1 . 1 77 77 ASP C C 13 176.588 0.1 . 1 . . 642 . A 77 ASP C . 30550 1
944 . 1 . 1 77 77 ASP CA C 13 54.567 0.038 . 1 . . 380 . A 77 ASP CA . 30550 1
945 . 1 . 1 77 77 ASP CB C 13 41.211 0.018 . 1 . . 381 . A 77 ASP CB . 30550 1
946 . 1 . 1 77 77 ASP N N 15 120.309 0.023 . 1 . . 125 . A 77 ASP N . 30550 1
947 . 1 . 1 78 78 ALA H H 1 8.266 0.007 . 1 . . 159 . A 78 ALA H . 30550 1
948 . 1 . 1 78 78 ALA HA H 1 3.931 0.005 . 1 . . 865 . A 78 ALA HA . 30550 1
949 . 1 . 1 78 78 ALA HB1 H 1 1.321 0.007 . 1 . . 864 . A 78 ALA HB1 . 30550 1
950 . 1 . 1 78 78 ALA HB2 H 1 1.321 0.007 . 1 . . 864 . A 78 ALA HB2 . 30550 1
951 . 1 . 1 78 78 ALA HB3 H 1 1.321 0.007 . 1 . . 864 . A 78 ALA HB3 . 30550 1
952 . 1 . 1 78 78 ALA C C 13 178.949 0.1 . 1 . . 667 . A 78 ALA C . 30550 1
953 . 1 . 1 78 78 ALA CA C 13 54.695 0.038 . 1 . . 379 . A 78 ALA CA . 30550 1
954 . 1 . 1 78 78 ALA CB C 13 18.967 0.022 . 1 . . 378 . A 78 ALA CB . 30550 1
955 . 1 . 1 78 78 ALA N N 15 126.337 0.019 . 1 . . 160 . A 78 ALA N . 30550 1
956 . 1 . 1 79 79 GLU H H 1 8.505 0.005 . 1 . . 147 . A 79 GLU H . 30550 1
957 . 1 . 1 79 79 GLU HA H 1 4.068 0.006 . 1 . . 861 . A 79 GLU HA . 30550 1
958 . 1 . 1 79 79 GLU HB2 H 1 2.084 0.008 . 1 . . 863 . A 79 GLU HB2 . 30550 1
959 . 1 . 1 79 79 GLU HB3 H 1 2.084 0.008 . 1 . . 862 . A 79 GLU HB3 . 30550 1
960 . 1 . 1 79 79 GLU HG2 H 1 2.316 0.004 . 2 . . 1203 . A 79 GLU HG2 . 30550 1
961 . 1 . 1 79 79 GLU HG3 H 1 2.334 0.011 . 2 . . 1204 . A 79 GLU HG3 . 30550 1
962 . 1 . 1 79 79 GLU C C 13 178.976 0.1 . 1 . . 680 . A 79 GLU C . 30550 1
963 . 1 . 1 79 79 GLU CA C 13 59.352 0.043 . 1 . . 376 . A 79 GLU CA . 30550 1
964 . 1 . 1 79 79 GLU CB C 13 28.932 0.033 . 1 . . 377 . A 79 GLU CB . 30550 1
965 . 1 . 1 79 79 GLU CG C 13 36.131 0.044 . 1 . . 559 . A 79 GLU CG . 30550 1
966 . 1 . 1 79 79 GLU N N 15 119.478 0.062 . 1 . . 148 . A 79 GLU N . 30550 1
967 . 1 . 1 80 80 GLU H H 1 8.327 0.006 . 1 . . 23 . A 80 GLU H . 30550 1
968 . 1 . 1 80 80 GLU HA H 1 4.138 0.007 . 1 . . 860 . A 80 GLU HA . 30550 1
969 . 1 . 1 80 80 GLU HB2 H 1 2.133 0.007 . 1 . . 858 . A 80 GLU HB2 . 30550 1
970 . 1 . 1 80 80 GLU HB3 H 1 2.133 0.007 . 1 . . 859 . A 80 GLU HB3 . 30550 1
971 . 1 . 1 80 80 GLU HG2 H 1 2.394 0.006 . 2 . . 1201 . A 80 GLU HG2 . 30550 1
972 . 1 . 1 80 80 GLU HG3 H 1 2.277 0.011 . 2 . . 1202 . A 80 GLU HG3 . 30550 1
973 . 1 . 1 80 80 GLU C C 13 179.322 0.1 . 1 . . 660 . A 80 GLU C . 30550 1
974 . 1 . 1 80 80 GLU CA C 13 59.309 0.044 . 1 . . 374 . A 80 GLU CA . 30550 1
975 . 1 . 1 80 80 GLU CB C 13 29.301 0.013 . 1 . . 375 . A 80 GLU CB . 30550 1
976 . 1 . 1 80 80 GLU CG C 13 36.387 0.025 . 1 . . 558 . A 80 GLU CG . 30550 1
977 . 1 . 1 80 80 GLU N N 15 120.759 0.037 . 1 . . 24 . A 80 GLU N . 30550 1
978 . 1 . 1 81 81 VAL H H 1 7.630 0.007 . 1 . . 155 . A 81 VAL H . 30550 1
979 . 1 . 1 81 81 VAL HA H 1 3.614 0.005 . 1 . . 856 . A 81 VAL HA . 30550 1
980 . 1 . 1 81 81 VAL HB H 1 2.124 0.006 . 1 . . 857 . A 81 VAL HB . 30550 1
981 . 1 . 1 81 81 VAL HG11 H 1 0.928 0.011 . 1 . . 1198 . A 81 VAL HG11 . 30550 1
982 . 1 . 1 81 81 VAL HG12 H 1 0.928 0.011 . 1 . . 1198 . A 81 VAL HG12 . 30550 1
983 . 1 . 1 81 81 VAL HG13 H 1 0.928 0.011 . 1 . . 1198 . A 81 VAL HG13 . 30550 1
984 . 1 . 1 81 81 VAL HG21 H 1 1.022 0.006 . 1 . . 1199 . A 81 VAL HG21 . 30550 1
985 . 1 . 1 81 81 VAL HG22 H 1 1.022 0.006 . 1 . . 1199 . A 81 VAL HG22 . 30550 1
986 . 1 . 1 81 81 VAL HG23 H 1 1.022 0.006 . 1 . . 1199 . A 81 VAL HG23 . 30550 1
987 . 1 . 1 81 81 VAL C C 13 177.399 0.1 . 1 . . 643 . A 81 VAL C . 30550 1
988 . 1 . 1 81 81 VAL CA C 13 66.541 0.047 . 1 . . 373 . A 81 VAL CA . 30550 1
989 . 1 . 1 81 81 VAL CB C 13 31.692 0.034 . 1 . . 372 . A 81 VAL CB . 30550 1
990 . 1 . 1 81 81 VAL CG1 C 13 23.310 0.012 . 1 . . 1197 . A 81 VAL CG1 . 30550 1
991 . 1 . 1 81 81 VAL CG2 C 13 23.335 0.007 . 1 . . 1200 . A 81 VAL CG2 . 30550 1
992 . 1 . 1 81 81 VAL N N 15 119.028 0.013 . 1 . . 156 . A 81 VAL N . 30550 1
993 . 1 . 1 82 82 ARG H H 1 8.579 0.008 . 1 . . 17 . A 82 ARG H . 30550 1
994 . 1 . 1 82 82 ARG HA H 1 3.478 0.005 . 1 . . 855 . A 82 ARG HA . 30550 1
995 . 1 . 1 82 82 ARG HB2 H 1 1.830 0.014 . 1 . . 854 . A 82 ARG HB2 . 30550 1
996 . 1 . 1 82 82 ARG HB3 H 1 1.991 0.013 . 1 . . 853 . A 82 ARG HB3 . 30550 1
997 . 1 . 1 82 82 ARG HG2 H 1 1.215 0.004 . 2 . . 1317 . A 82 ARG HG2 . 30550 1
998 . 1 . 1 82 82 ARG HG3 H 1 1.510 0.004 . 2 . . 1318 . A 82 ARG HG3 . 30550 1
999 . 1 . 1 82 82 ARG HD2 H 1 3.346 0.004 . 2 . . 1118 . A 82 ARG HD2 . 30550 1
1000 . 1 . 1 82 82 ARG HD3 H 1 3.142 0.004 . 2 . . 1119 . A 82 ARG HD3 . 30550 1
1001 . 1 . 1 82 82 ARG HE H 1 7.772 0.007 . 1 . . 271 . A 82 ARG HE . 30550 1
1002 . 1 . 1 82 82 ARG C C 13 177.582 0.1 . 1 . . 702 . A 82 ARG C . 30550 1
1003 . 1 . 1 82 82 ARG CA C 13 60.774 0.023 . 1 . . 370 . A 82 ARG CA . 30550 1
1004 . 1 . 1 82 82 ARG CB C 13 29.995 0.026 . 1 . . 371 . A 82 ARG CB . 30550 1
1005 . 1 . 1 82 82 ARG CG C 13 27.537 0.03 . 1 . . 556 . A 82 ARG CG . 30550 1
1006 . 1 . 1 82 82 ARG CD C 13 42.596 0.031 . 1 . . 557 . A 82 ARG CD . 30550 1
1007 . 1 . 1 82 82 ARG N N 15 120.986 0.015 . 1 . . 18 . A 82 ARG N . 30550 1
1008 . 1 . 1 82 82 ARG NE N 15 83.666 0.02 . 1 . . 270 . A 82 ARG NE . 30550 1
1009 . 1 . 1 83 83 THR H H 1 8.104 0.006 . 1 . . 201 . A 83 THR H . 30550 1
1010 . 1 . 1 83 83 THR HA H 1 3.806 0.008 . 1 . . 850 . A 83 THR HA . 30550 1
1011 . 1 . 1 83 83 THR HB H 1 4.362 0.008 . 1 . . 849 . A 83 THR HB . 30550 1
1012 . 1 . 1 83 83 THR HG21 H 1 1.253 0.004 . 1 . . 851 . A 83 THR HG21 . 30550 1
1013 . 1 . 1 83 83 THR HG22 H 1 1.253 0.004 . 1 . . 851 . A 83 THR HG22 . 30550 1
1014 . 1 . 1 83 83 THR HG23 H 1 1.253 0.004 . 1 . . 851 . A 83 THR HG23 . 30550 1
1015 . 1 . 1 83 83 THR C C 13 176.644 0.1 . 1 . . 644 . A 83 THR C . 30550 1
1016 . 1 . 1 83 83 THR CA C 13 67.009 0.049 . 1 . . 368 . A 83 THR CA . 30550 1
1017 . 1 . 1 83 83 THR CB C 13 68.838 0.026 . 1 . . 369 . A 83 THR CB . 30550 1
1018 . 1 . 1 83 83 THR CG2 C 13 21.953 0.025 . 1 . . 852 . A 83 THR CG2 . 30550 1
1019 . 1 . 1 83 83 THR N N 15 114.082 0.016 . 1 . . 202 . A 83 THR N . 30550 1
1020 . 1 . 1 84 84 GLU H H 1 7.536 0.004 . 1 . . 67 . A 84 GLU H . 30550 1
1021 . 1 . 1 84 84 GLU HA H 1 4.026 0.004 . 1 . . 848 . A 84 GLU HA . 30550 1
1022 . 1 . 1 84 84 GLU HB2 H 1 2.255 0.005 . 1 . . 846 . A 84 GLU HB2 . 30550 1
1023 . 1 . 1 84 84 GLU HB3 H 1 2.255 0.005 . 1 . . 847 . A 84 GLU HB3 . 30550 1
1024 . 1 . 1 84 84 GLU HG2 H 1 2.446 0.01 . 2 . . 1195 . A 84 GLU HG2 . 30550 1
1025 . 1 . 1 84 84 GLU HG3 H 1 2.483 0.011 . 2 . . 1196 . A 84 GLU HG3 . 30550 1
1026 . 1 . 1 84 84 GLU C C 13 179.542 0.1 . 1 . . 661 . A 84 GLU C . 30550 1
1027 . 1 . 1 84 84 GLU CA C 13 58.959 0.048 . 1 . . 367 . A 84 GLU CA . 30550 1
1028 . 1 . 1 84 84 GLU CB C 13 29.541 0.028 . 1 . . 366 . A 84 GLU CB . 30550 1
1029 . 1 . 1 84 84 GLU CG C 13 35.893 0.021 . 1 . . 555 . A 84 GLU CG . 30550 1
1030 . 1 . 1 84 84 GLU N N 15 119.575 0.024 . 1 . . 68 . A 84 GLU N . 30550 1
1031 . 1 . 1 85 85 VAL H H 1 8.657 0.007 . 1 . . 106 . A 85 VAL H . 30550 1
1032 . 1 . 1 85 85 VAL HA H 1 3.404 0.008 . 1 . . 844 . A 85 VAL HA . 30550 1
1033 . 1 . 1 85 85 VAL HB H 1 2.105 0.008 . 1 . . 845 . A 85 VAL HB . 30550 1
1034 . 1 . 1 85 85 VAL HG11 H 1 0.667 0.012 . 1 . . 1193 . A 85 VAL HG11 . 30550 1
1035 . 1 . 1 85 85 VAL HG12 H 1 0.667 0.012 . 1 . . 1193 . A 85 VAL HG12 . 30550 1
1036 . 1 . 1 85 85 VAL HG13 H 1 0.667 0.012 . 1 . . 1193 . A 85 VAL HG13 . 30550 1
1037 . 1 . 1 85 85 VAL HG21 H 1 0.571 0.014 . 1 . . 1192 . A 85 VAL HG21 . 30550 1
1038 . 1 . 1 85 85 VAL HG22 H 1 0.571 0.014 . 1 . . 1192 . A 85 VAL HG22 . 30550 1
1039 . 1 . 1 85 85 VAL HG23 H 1 0.571 0.014 . 1 . . 1192 . A 85 VAL HG23 . 30550 1
1040 . 1 . 1 85 85 VAL C C 13 178.614 0.1 . 1 . . 640 . A 85 VAL C . 30550 1
1041 . 1 . 1 85 85 VAL CA C 13 67.002 0.015 . 1 . . 365 . A 85 VAL CA . 30550 1
1042 . 1 . 1 85 85 VAL CB C 13 31.964 0.063 . 1 . . 364 . A 85 VAL CB . 30550 1
1043 . 1 . 1 85 85 VAL CG1 C 13 22.694 0.016 . 1 . . 1194 . A 85 VAL CG1 . 30550 1
1044 . 1 . 1 85 85 VAL CG2 C 13 23.859 0.048 . 1 . . 1191 . A 85 VAL CG2 . 30550 1
1045 . 1 . 1 85 85 VAL N N 15 121.430 0.023 . 1 . . 107 . A 85 VAL N . 30550 1
1046 . 1 . 1 86 86 LEU H H 1 8.535 0.009 . 1 . . 235 . A 86 LEU H . 30550 1
1047 . 1 . 1 86 86 LEU HA H 1 3.946 0.008 . 1 . . 843 . A 86 LEU HA . 30550 1
1048 . 1 . 1 86 86 LEU HB2 H 1 1.926 0.009 . 1 . . 842 . A 86 LEU HB2 . 30550 1
1049 . 1 . 1 86 86 LEU HB3 H 1 1.497 0.005 . 1 . . 841 . A 86 LEU HB3 . 30550 1
1050 . 1 . 1 86 86 LEU HG H 1 1.774 0.007 . 1 . . 1185 . A 86 LEU HG . 30550 1
1051 . 1 . 1 86 86 LEU HD11 H 1 0.886 0.011 . 1 . . 1187 . A 86 LEU HD11 . 30550 1
1052 . 1 . 1 86 86 LEU HD12 H 1 0.886 0.011 . 1 . . 1187 . A 86 LEU HD12 . 30550 1
1053 . 1 . 1 86 86 LEU HD13 H 1 0.886 0.011 . 1 . . 1187 . A 86 LEU HD13 . 30550 1
1054 . 1 . 1 86 86 LEU HD21 H 1 0.914 0.009 . 1 . . 1190 . A 86 LEU HD21 . 30550 1
1055 . 1 . 1 86 86 LEU HD22 H 1 0.914 0.009 . 1 . . 1190 . A 86 LEU HD22 . 30550 1
1056 . 1 . 1 86 86 LEU HD23 H 1 0.914 0.009 . 1 . . 1190 . A 86 LEU HD23 . 30550 1
1057 . 1 . 1 86 86 LEU C C 13 179.930 0.1 . 1 . . 690 . A 86 LEU C . 30550 1
1058 . 1 . 1 86 86 LEU CA C 13 58.087 0.024 . 1 . . 362 . A 86 LEU CA . 30550 1
1059 . 1 . 1 86 86 LEU CB C 13 41.675 0.013 . 1 . . 363 . A 86 LEU CB . 30550 1
1060 . 1 . 1 86 86 LEU CG C 13 27.284 0.015 . 1 . . 1186 . A 86 LEU CG . 30550 1
1061 . 1 . 1 86 86 LEU CD1 C 13 25.828 0.016 . 1 . . 1188 . A 86 LEU CD1 . 30550 1
1062 . 1 . 1 86 86 LEU CD2 C 13 22.932 0.057 . 1 . . 1189 . A 86 LEU CD2 . 30550 1
1063 . 1 . 1 86 86 LEU N N 15 117.733 0.026 . 1 . . 236 . A 86 LEU N . 30550 1
1064 . 1 . 1 87 87 LYS H H 1 7.361 0.007 . 1 . . 214 . A 87 LYS H . 30550 1
1065 . 1 . 1 87 87 LYS HA H 1 4.167 0.005 . 1 . . 838 . A 87 LYS HA . 30550 1
1066 . 1 . 1 87 87 LYS HB2 H 1 1.986 0.007 . 1 . . 840 . A 87 LYS HB2 . 30550 1
1067 . 1 . 1 87 87 LYS HB3 H 1 1.986 0.007 . 1 . . 839 . A 87 LYS HB3 . 30550 1
1068 . 1 . 1 87 87 LYS HG2 H 1 1.864 0.004 . 2 . . 1183 . A 87 LYS HG2 . 30550 1
1069 . 1 . 1 87 87 LYS HG3 H 1 1.488 0.003 . 2 . . 1184 . A 87 LYS HG3 . 30550 1
1070 . 1 . 1 87 87 LYS HD2 H 1 1.724 0.011 . 1 . . 1444 . A 87 LYS HD2 . 30550 1
1071 . 1 . 1 87 87 LYS HD3 H 1 1.724 0.011 . 1 . . 1443 . A 87 LYS HD3 . 30550 1
1072 . 1 . 1 87 87 LYS C C 13 178.275 0.1 . 1 . . 704 . A 87 LYS C . 30550 1
1073 . 1 . 1 87 87 LYS CA C 13 59.380 0.028 . 1 . . 360 . A 87 LYS CA . 30550 1
1074 . 1 . 1 87 87 LYS CB C 13 33.275 0.038 . 1 . . 361 . A 87 LYS CB . 30550 1
1075 . 1 . 1 87 87 LYS CG C 13 25.970 0.061 . 1 . . 552 . A 87 LYS CG . 30550 1
1076 . 1 . 1 87 87 LYS CD C 13 29.736 0.1 . 1 . . 553 . A 87 LYS CD . 30550 1
1077 . 1 . 1 87 87 LYS CE C 13 42.209 0.1 . 1 . . 554 . A 87 LYS CE . 30550 1
1078 . 1 . 1 87 87 LYS N N 15 117.215 0.029 . 1 . . 215 . A 87 LYS N . 30550 1
1079 . 1 . 1 88 88 CYS H H 1 8.038 0.006 . 1 . . 241 . A 88 CYS H . 30550 1
1080 . 1 . 1 88 88 CYS HA H 1 5.197 0.006 . 1 . . 837 . A 88 CYS HA . 30550 1
1081 . 1 . 1 88 88 CYS HB2 H 1 2.803 0.005 . 1 . . 836 . A 88 CYS HB2 . 30550 1
1082 . 1 . 1 88 88 CYS HB3 H 1 3.716 0.006 . 1 . . 835 . A 88 CYS HB3 . 30550 1
1083 . 1 . 1 88 88 CYS C C 13 175.140 0.1 . 1 . . 654 . A 88 CYS C . 30550 1
1084 . 1 . 1 88 88 CYS CA C 13 52.684 0.055 . 1 . . 359 . A 88 CYS CA . 30550 1
1085 . 1 . 1 88 88 CYS CB C 13 40.339 0.044 . 1 . . 358 . A 88 CYS CB . 30550 1
1086 . 1 . 1 88 88 CYS N N 15 114.268 0.035 . 1 . . 242 . A 88 CYS N . 30550 1
1087 . 1 . 1 89 89 VAL H H 1 7.505 0.006 . 1 . . 86 . A 89 VAL H . 30550 1
1088 . 1 . 1 89 89 VAL HA H 1 3.900 0.01 . 1 . . 833 . A 89 VAL HA . 30550 1
1089 . 1 . 1 89 89 VAL HB H 1 2.222 0.006 . 1 . . 834 . A 89 VAL HB . 30550 1
1090 . 1 . 1 89 89 VAL HG11 H 1 0.992 0.011 . 1 . . 1182 . A 89 VAL HG11 . 30550 1
1091 . 1 . 1 89 89 VAL HG12 H 1 0.992 0.011 . 1 . . 1182 . A 89 VAL HG12 . 30550 1
1092 . 1 . 1 89 89 VAL HG13 H 1 0.992 0.011 . 1 . . 1182 . A 89 VAL HG13 . 30550 1
1093 . 1 . 1 89 89 VAL HG21 H 1 0.964 0.008 . 1 . . 1179 . A 89 VAL HG21 . 30550 1
1094 . 1 . 1 89 89 VAL HG22 H 1 0.964 0.008 . 1 . . 1179 . A 89 VAL HG22 . 30550 1
1095 . 1 . 1 89 89 VAL HG23 H 1 0.964 0.008 . 1 . . 1179 . A 89 VAL HG23 . 30550 1
1096 . 1 . 1 89 89 VAL C C 13 173.654 0.1 . 1 . . 669 . A 89 VAL C . 30550 1
1097 . 1 . 1 89 89 VAL CA C 13 64.493 0.059 . 1 . . 356 . A 89 VAL CA . 30550 1
1098 . 1 . 1 89 89 VAL CB C 13 31.851 0.021 . 1 . . 357 . A 89 VAL CB . 30550 1
1099 . 1 . 1 89 89 VAL CG1 C 13 21.855 0.044 . 1 . . 1181 . A 89 VAL CG1 . 30550 1
1100 . 1 . 1 89 89 VAL CG2 C 13 22.766 0.057 . 1 . . 1180 . A 89 VAL CG2 . 30550 1
1101 . 1 . 1 89 89 VAL N N 15 125.093 0.044 . 1 . . 87 . A 89 VAL N . 30550 1
1102 . 1 . 1 90 90 ASP H H 1 8.374 0.016 . 1 . . 171 . A 90 ASP H . 30550 1
1103 . 1 . 1 90 90 ASP HA H 1 4.901 0.003 . 1 . . 832 . A 90 ASP HA . 30550 1
1104 . 1 . 1 90 90 ASP HB2 H 1 3.213 0.011 . 1 . . 831 . A 90 ASP HB2 . 30550 1
1105 . 1 . 1 90 90 ASP HB3 H 1 2.911 0.007 . 1 . . 830 . A 90 ASP HB3 . 30550 1
1106 . 1 . 1 90 90 ASP C C 13 176.595 0.1 . 1 . . 641 . A 90 ASP C . 30550 1
1107 . 1 . 1 90 90 ASP CA C 13 51.838 0.049 . 1 . . 354 . A 90 ASP CA . 30550 1
1108 . 1 . 1 90 90 ASP CB C 13 42.730 0.019 . 1 . . 355 . A 90 ASP CB . 30550 1
1109 . 1 . 1 90 90 ASP N N 15 129.266 0.025 . 1 . . 172 . A 90 ASP N . 30550 1
1110 . 1 . 1 91 91 LYS H H 1 8.325 0.006 . 1 . . 88 . A 91 LYS H . 30550 1
1111 . 1 . 1 91 91 LYS HA H 1 4.561 0.005 . 1 . . 827 . A 91 LYS HA . 30550 1
1112 . 1 . 1 91 91 LYS HB2 H 1 1.597 0.021 . 2 . . 828 . A 91 LYS HB2 . 30550 1
1113 . 1 . 1 91 91 LYS HB3 H 1 1.671 0.017 . 2 . . 829 . A 91 LYS HB3 . 30550 1
1114 . 1 . 1 91 91 LYS HG2 H 1 1.439 0.011 . 2 . . 1175 . A 91 LYS HG2 . 30550 1
1115 . 1 . 1 91 91 LYS HG3 H 1 1.472 0.01 . 2 . . 1176 . A 91 LYS HG3 . 30550 1
1116 . 1 . 1 91 91 LYS HE2 H 1 2.993 0.007 . 1 . . 1178 . A 91 LYS HE2 . 30550 1
1117 . 1 . 1 91 91 LYS HE3 H 1 2.993 0.007 . 1 . . 1177 . A 91 LYS HE3 . 30550 1
1118 . 1 . 1 91 91 LYS C C 13 175.258 0.1 . 1 . . 701 . A 91 LYS C . 30550 1
1119 . 1 . 1 91 91 LYS CA C 13 55.182 0.06 . 1 . . 353 . A 91 LYS CA . 30550 1
1120 . 1 . 1 91 91 LYS CB C 13 33.481 0.019 . 1 . . 352 . A 91 LYS CB . 30550 1
1121 . 1 . 1 91 91 LYS CG C 13 25.312 0.03 . 1 . . 549 . A 91 LYS CG . 30550 1
1122 . 1 . 1 91 91 LYS CD C 13 28.502 0.1 . 1 . . 550 . A 91 LYS CD . 30550 1
1123 . 1 . 1 91 91 LYS CE C 13 42.025 0.1 . 1 . . 551 . A 91 LYS CE . 30550 1
1124 . 1 . 1 91 91 LYS N N 15 119.285 0.016 . 1 . . 89 . A 91 LYS N . 30550 1
1125 . 1 . 1 92 92 ASN H H 1 7.783 0.007 . 1 . . 199 . A 92 ASN H . 30550 1
1126 . 1 . 1 92 92 ASN HA H 1 3.141 0.01 . 1 . . 826 . A 92 ASN HA . 30550 1
1127 . 1 . 1 92 92 ASN HB2 H 1 0.064 0.038 . 1 . . 824 . A 92 ASN HB2 . 30550 1
1128 . 1 . 1 92 92 ASN HB3 H 1 2.340 0.005 . 1 . . 825 . A 92 ASN HB3 . 30550 1
1129 . 1 . 1 92 92 ASN HD21 H 1 6.230 0.005 . 1 . . 39 . A 92 ASN HD21 . 30550 1
1130 . 1 . 1 92 92 ASN HD22 H 1 7.408 0.004 . 1 . . 230 . A 92 ASN HD22 . 30550 1
1131 . 1 . 1 92 92 ASN C C 13 177.622 0.1 . 1 . . 710 . A 92 ASN C . 30550 1
1132 . 1 . 1 92 92 ASN CA C 13 50.707 0.058 . 1 . . 351 . A 92 ASN CA . 30550 1
1133 . 1 . 1 92 92 ASN CB C 13 34.719 0.027 . 1 . . 350 . A 92 ASN CB . 30550 1
1134 . 1 . 1 92 92 ASN N N 15 117.305 0.031 . 1 . . 200 . A 92 ASN N . 30550 1
1135 . 1 . 1 92 92 ASN ND2 N 15 107.437 0.077 . 1 . . 40 . A 92 ASN ND2 . 30550 1
1136 . 1 . 1 93 93 THR H H 1 7.885 0.006 . 1 . . 185 . A 93 THR H . 30550 1
1137 . 1 . 1 93 93 THR HA H 1 3.715 0.006 . 1 . . 820 . A 93 THR HA . 30550 1
1138 . 1 . 1 93 93 THR HB H 1 4.080 0.009 . 1 . . 821 . A 93 THR HB . 30550 1
1139 . 1 . 1 93 93 THR HG21 H 1 1.136 0.003 . 1 . . 822 . A 93 THR HG21 . 30550 1
1140 . 1 . 1 93 93 THR HG22 H 1 1.136 0.003 . 1 . . 822 . A 93 THR HG22 . 30550 1
1141 . 1 . 1 93 93 THR HG23 H 1 1.136 0.003 . 1 . . 822 . A 93 THR HG23 . 30550 1
1142 . 1 . 1 93 93 THR C C 13 175.593 0.1 . 1 . . 666 . A 93 THR C . 30550 1
1143 . 1 . 1 93 93 THR CA C 13 65.000 0.017 . 1 . . 349 . A 93 THR CA . 30550 1
1144 . 1 . 1 93 93 THR CB C 13 68.783 0.019 . 1 . . 348 . A 93 THR CB . 30550 1
1145 . 1 . 1 93 93 THR CG2 C 13 22.337 0.019 . 1 . . 823 . A 93 THR CG2 . 30550 1
1146 . 1 . 1 93 93 THR N N 15 116.106 0.019 . 1 . . 186 . A 93 THR N . 30550 1
1147 . 1 . 1 94 94 ASP H H 1 8.077 0.006 . 1 . . 207 . A 94 ASP H . 30550 1
1148 . 1 . 1 94 94 ASP HA H 1 4.845 .01 . 1 . . 819 . A 94 ASP HA . 30550 1
1149 . 1 . 1 94 94 ASP HB2 H 1 2.544 0.003 . 2 . . 817 . A 94 ASP HB2 . 30550 1
1150 . 1 . 1 94 94 ASP HB3 H 1 3.118 0.007 . 2 . . 818 . A 94 ASP HB3 . 30550 1
1151 . 1 . 1 94 94 ASP C C 13 175.373 0.1 . 1 . . 630 . A 94 ASP C . 30550 1
1152 . 1 . 1 94 94 ASP CA C 13 51.770 0.031 . 1 . . 346 . A 94 ASP CA . 30550 1
1153 . 1 . 1 94 94 ASP CB C 13 40.306 0.035 . 1 . . 347 . A 94 ASP CB . 30550 1
1154 . 1 . 1 94 94 ASP N N 15 118.396 0.02 . 1 . . 208 . A 94 ASP N . 30550 1
1155 . 1 . 1 95 95 ASN H H 1 7.439 0.015 . 1 . . 233 . A 95 ASN H . 30550 1
1156 . 1 . 1 95 95 ASN HA H 1 4.006 0.005 . 1 . . 814 . A 95 ASN HA . 30550 1
1157 . 1 . 1 95 95 ASN HB2 H 1 2.607 0.004 . 2 . . 815 . A 95 ASN HB2 . 30550 1
1158 . 1 . 1 95 95 ASN HB3 H 1 2.979 0.005 . 2 . . 816 . A 95 ASN HB3 . 30550 1
1159 . 1 . 1 95 95 ASN HD21 H 1 7.523 0.024 . 1 . . 71 . A 95 ASN HD21 . 30550 1
1160 . 1 . 1 95 95 ASN HD22 H 1 6.773 0.008 . 1 . . 258 . A 95 ASN HD22 . 30550 1
1161 . 1 . 1 95 95 ASN C C 13 173.361 0.1 . 1 . . 629 . A 95 ASN C . 30550 1
1162 . 1 . 1 95 95 ASN CA C 13 54.465 0.032 . 1 . . 345 . A 95 ASN CA . 30550 1
1163 . 1 . 1 95 95 ASN CB C 13 37.255 0.011 . 1 . . 344 . A 95 ASN CB . 30550 1
1164 . 1 . 1 95 95 ASN N N 15 114.606 0.069 . 1 . . 234 . A 95 ASN N . 30550 1
1165 . 1 . 1 95 95 ASN ND2 N 15 112.627 0.14 . 1 . . 72 . A 95 ASN ND2 . 30550 1
1166 . 1 . 1 96 96 ASN H H 1 7.740 0.006 . 1 . . 165 . A 96 ASN H . 30550 1
1167 . 1 . 1 96 96 ASN HA H 1 4.693 0.007 . 1 . . 813 . A 96 ASN HA . 30550 1
1168 . 1 . 1 96 96 ASN HB2 H 1 2.237 0.009 . 1 . . 811 . A 96 ASN HB2 . 30550 1
1169 . 1 . 1 96 96 ASN HB3 H 1 2.742 0.006 . 1 . . 812 . A 96 ASN HB3 . 30550 1
1170 . 1 . 1 96 96 ASN HD21 H 1 7.457 0.004 . 1 . . 136 . A 96 ASN HD21 . 30550 1
1171 . 1 . 1 96 96 ASN HD22 H 1 6.941 0.007 . 1 . . 260 . A 96 ASN HD22 . 30550 1
1172 . 1 . 1 96 96 ASN C C 13 174.878 0.1 . 1 . . 628 . A 96 ASN C . 30550 1
1173 . 1 . 1 96 96 ASN CA C 13 52.929 0.058 . 1 . . 343 . A 96 ASN CA . 30550 1
1174 . 1 . 1 96 96 ASN CB C 13 38.826 0.029 . 1 . . 342 . A 96 ASN CB . 30550 1
1175 . 1 . 1 96 96 ASN N N 15 116.148 0.023 . 1 . . 166 . A 96 ASN N . 30550 1
1176 . 1 . 1 96 96 ASN ND2 N 15 114.448 0.019 . 1 . . 261 . A 96 ASN ND2 . 30550 1
1177 . 1 . 1 97 97 ALA H H 1 9.269 0.004 . 1 . . 115 . A 97 ALA H . 30550 1
1178 . 1 . 1 97 97 ALA HA H 1 4.681 0.006 . 1 . . 809 . A 97 ALA HA . 30550 1
1179 . 1 . 1 97 97 ALA HB1 H 1 1.856 0.005 . 1 . . 810 . A 97 ALA HB1 . 30550 1
1180 . 1 . 1 97 97 ALA HB2 H 1 1.856 0.005 . 1 . . 810 . A 97 ALA HB2 . 30550 1
1181 . 1 . 1 97 97 ALA HB3 H 1 1.856 0.005 . 1 . . 810 . A 97 ALA HB3 . 30550 1
1182 . 1 . 1 97 97 ALA C C 13 179.269 0.1 . 1 . . 627 . A 97 ALA C . 30550 1
1183 . 1 . 1 97 97 ALA CA C 13 55.563 0.026 . 1 . . 340 . A 97 ALA CA . 30550 1
1184 . 1 . 1 97 97 ALA CB C 13 18.612 0.028 . 1 . . 341 . A 97 ALA CB . 30550 1
1185 . 1 . 1 97 97 ALA N N 15 128.430 0.02 . 1 . . 116 . A 97 ALA N . 30550 1
1186 . 1 . 1 98 98 CYS H H 1 8.197 0.005 . 1 . . 119 . A 98 CYS H . 30550 1
1187 . 1 . 1 98 98 CYS HA H 1 4.138 0.004 . 1 . . 806 . A 98 CYS HA . 30550 1
1188 . 1 . 1 98 98 CYS HB2 H 1 3.825 0.007 . 1 . . 808 . A 98 CYS HB2 . 30550 1
1189 . 1 . 1 98 98 CYS HB3 H 1 2.376 0.005 . 1 . . 807 . A 98 CYS HB3 . 30550 1
1190 . 1 . 1 98 98 CYS C C 13 175.507 0.1 . 1 . . 626 . A 98 CYS C . 30550 1
1191 . 1 . 1 98 98 CYS CA C 13 60.136 0.061 . 1 . . 339 . A 98 CYS CA . 30550 1
1192 . 1 . 1 98 98 CYS CB C 13 41.509 0.015 . 1 . . 338 . A 98 CYS CB . 30550 1
1193 . 1 . 1 98 98 CYS N N 15 113.881 0.02 . 1 . . 120 . A 98 CYS N . 30550 1
1194 . 1 . 1 99 99 HIS H H 1 7.865 0.009 . 1 . . 195 . A 99 HIS H . 30550 1
1195 . 1 . 1 99 99 HIS HA H 1 4.774 0.01 . 1 . . 805 . A 99 HIS HA . 30550 1
1196 . 1 . 1 99 99 HIS HB2 H 1 3.346 0.004 . 2 . . 803 . A 99 HIS HB2 . 30550 1
1197 . 1 . 1 99 99 HIS HB3 H 1 3.896 0.015 . 2 . . 804 . A 99 HIS HB3 . 30550 1
1198 . 1 . 1 99 99 HIS HD2 H 1 6.909 0.004 . 1 . . 1276 . A 99 HIS HD2 . 30550 1
1199 . 1 . 1 99 99 HIS HE1 H 1 8.458 0.002 . 1 . . 1447 . A 99 HIS HE1 . 30550 1
1200 . 1 . 1 99 99 HIS C C 13 177.169 0.1 . 1 . . 625 . A 99 HIS C . 30550 1
1201 . 1 . 1 99 99 HIS CA C 13 56.742 0.021 . 1 . . 337 . A 99 HIS CA . 30550 1
1202 . 1 . 1 99 99 HIS CB C 13 28.435 0.028 . 1 . . 336 . A 99 HIS CB . 30550 1
1203 . 1 . 1 99 99 HIS CD2 C 13 119.630 0.189 . 1 . . 1277 . A 99 HIS CD2 . 30550 1
1204 . 1 . 1 99 99 HIS CE1 C 13 136.476 0.1 . 1 . . 1448 . A 99 HIS CE1 . 30550 1
1205 . 1 . 1 99 99 HIS N N 15 118.575 0.052 . 1 . . 196 . A 99 HIS N . 30550 1
1206 . 1 . 1 100 100 TRP H H 1 8.730 0.011 . 1 . . 117 . A 100 TRP H . 30550 1
1207 . 1 . 1 100 100 TRP HA H 1 4.707 0.006 . 1 . . 1174 . A 100 TRP HA . 30550 1
1208 . 1 . 1 100 100 TRP HB2 H 1 3.450 0.006 . 1 . . 801 . A 100 TRP HB2 . 30550 1
1209 . 1 . 1 100 100 TRP HB3 H 1 3.854 0.009 . 1 . . 802 . A 100 TRP HB3 . 30550 1
1210 . 1 . 1 100 100 TRP HD1 H 1 7.473 0.013 . 1 . . 1264 . A 100 TRP HD1 . 30550 1
1211 . 1 . 1 100 100 TRP HE1 H 1 9.709 0.007 . 1 . . 51 . A 100 TRP HE1 . 30550 1
1212 . 1 . 1 100 100 TRP HE3 H 1 7.459 0.021 . 1 . . 1267 . A 100 TRP HE3 . 30550 1
1213 . 1 . 1 100 100 TRP HZ2 H 1 7.713 0.006 . 1 . . 1253 . A 100 TRP HZ2 . 30550 1
1214 . 1 . 1 100 100 TRP HZ3 H 1 6.954 0.006 . 1 . . 1268 . A 100 TRP HZ3 . 30550 1
1215 . 1 . 1 100 100 TRP HH2 H 1 6.972 0.011 . 1 . . 1270 . A 100 TRP HH2 . 30550 1
1216 . 1 . 1 100 100 TRP C C 13 179.120 0.1 . 1 . . 624 . A 100 TRP C . 30550 1
1217 . 1 . 1 100 100 TRP CA C 13 57.808 0.034 . 1 . . 334 . A 100 TRP CA . 30550 1
1218 . 1 . 1 100 100 TRP CB C 13 31.557 0.032 . 1 . . 335 . A 100 TRP CB . 30550 1
1219 . 1 . 1 100 100 TRP CD1 C 13 126.156 0.016 . 1 . . 1265 . A 100 TRP CD1 . 30550 1
1220 . 1 . 1 100 100 TRP CE3 C 13 121.180 0.056 . 1 . . 1266 . A 100 TRP CE3 . 30550 1
1221 . 1 . 1 100 100 TRP CZ2 C 13 114.165 0.059 . 1 . . 1252 . A 100 TRP CZ2 . 30550 1
1222 . 1 . 1 100 100 TRP CZ3 C 13 122.507 0.002 . 1 . . 1269 . A 100 TRP CZ3 . 30550 1
1223 . 1 . 1 100 100 TRP CH2 C 13 125.733 0.053 . 1 . . 1271 . A 100 TRP CH2 . 30550 1
1224 . 1 . 1 100 100 TRP N N 15 121.118 0.026 . 1 . . 118 . A 100 TRP N . 30550 1
1225 . 1 . 1 100 100 TRP NE1 N 15 128.998 0.018 . 1 . . 52 . A 100 TRP NE1 . 30550 1
1226 . 1 . 1 101 101 ALA H H 1 7.924 0.008 . 1 . . 74 . A 101 ALA H . 30550 1
1227 . 1 . 1 101 101 ALA HA H 1 3.302 0.005 . 1 . . 799 . A 101 ALA HA . 30550 1
1228 . 1 . 1 101 101 ALA HB1 H 1 0.150 0.005 . 1 . . 800 . A 101 ALA HB1 . 30550 1
1229 . 1 . 1 101 101 ALA HB2 H 1 0.150 0.005 . 1 . . 800 . A 101 ALA HB2 . 30550 1
1230 . 1 . 1 101 101 ALA HB3 H 1 0.150 0.005 . 1 . . 800 . A 101 ALA HB3 . 30550 1
1231 . 1 . 1 101 101 ALA C C 13 179.706 0.1 . 1 . . 623 . A 101 ALA C . 30550 1
1232 . 1 . 1 101 101 ALA CA C 13 54.704 0.023 . 1 . . 332 . A 101 ALA CA . 30550 1
1233 . 1 . 1 101 101 ALA CB C 13 15.807 0.019 . 1 . . 333 . A 101 ALA CB . 30550 1
1234 . 1 . 1 101 101 ALA N N 15 120.858 0.035 . 1 . . 75 . A 101 ALA N . 30550 1
1235 . 1 . 1 102 102 PHE H H 1 7.912 0.005 . 1 . . 193 . A 102 PHE H . 30550 1
1236 . 1 . 1 102 102 PHE HA H 1 3.906 0.006 . 1 . . 798 . A 102 PHE HA . 30550 1
1237 . 1 . 1 102 102 PHE HB2 H 1 2.925 0.01 . 1 . . 796 . A 102 PHE HB2 . 30550 1
1238 . 1 . 1 102 102 PHE HB3 H 1 3.144 0.013 . 1 . . 797 . A 102 PHE HB3 . 30550 1
1239 . 1 . 1 102 102 PHE HD1 H 1 7.085 0.016 . 1 . . 1309 . A 102 PHE HD1 . 30550 1
1240 . 1 . 1 102 102 PHE HD2 H 1 7.085 0.016 . 1 . . 1309 . A 102 PHE HD2 . 30550 1
1241 . 1 . 1 102 102 PHE HE1 H 1 7.208 0.005 . 1 . . 1419 . A 102 PHE HE1 . 30550 1
1242 . 1 . 1 102 102 PHE HE2 H 1 7.208 0.005 . 1 . . 1419 . A 102 PHE HE2 . 30550 1
1243 . 1 . 1 102 102 PHE HZ H 1 7.478 0.008 . 1 . . 1423 . A 102 PHE HZ . 30550 1
1244 . 1 . 1 102 102 PHE C C 13 176.044 0.1 . 1 . . 622 . A 102 PHE C . 30550 1
1245 . 1 . 1 102 102 PHE CA C 13 62.095 0.025 . 1 . . 331 . A 102 PHE CA . 30550 1
1246 . 1 . 1 102 102 PHE CB C 13 40.164 0.016 . 1 . . 330 . A 102 PHE CB . 30550 1
1247 . 1 . 1 102 102 PHE CD1 C 13 131.986 0.1 . 1 . . 1413 . A 102 PHE CD1 . 30550 1
1248 . 1 . 1 102 102 PHE CD2 C 13 131.986 0.1 . 1 . . 1413 . A 102 PHE CD2 . 30550 1
1249 . 1 . 1 102 102 PHE CE1 C 13 131.314 0.1 . 1 . . 1418 . A 102 PHE CE1 . 30550 1
1250 . 1 . 1 102 102 PHE CE2 C 13 131.314 0.1 . 1 . . 1418 . A 102 PHE CE2 . 30550 1
1251 . 1 . 1 102 102 PHE CZ C 13 130.236 0.073 . 1 . . 1422 . A 102 PHE CZ . 30550 1
1252 . 1 . 1 102 102 PHE N N 15 116.450 0.021 . 1 . . 194 . A 102 PHE N . 30550 1
1253 . 1 . 1 103 103 ARG H H 1 8.844 0.005 . 1 . . 113 . A 103 ARG H . 30550 1
1254 . 1 . 1 103 103 ARG HA H 1 4.033 0.005 . 1 . . 795 . A 103 ARG HA . 30550 1
1255 . 1 . 1 103 103 ARG HB2 H 1 2.162 0.024 . 2 . . 1170 . A 103 ARG HB2 . 30550 1
1256 . 1 . 1 103 103 ARG HB3 H 1 2.196 0.016 . 2 . . 1171 . A 103 ARG HB3 . 30550 1
1257 . 1 . 1 103 103 ARG HG2 H 1 2.008 0.038 . 2 . . 1172 . A 103 ARG HG2 . 30550 1
1258 . 1 . 1 103 103 ARG HG3 H 1 1.648 0.005 . 2 . . 1173 . A 103 ARG HG3 . 30550 1
1259 . 1 . 1 103 103 ARG HD2 H 1 3.356 0.012 . 2 . . 1116 . A 103 ARG HD2 . 30550 1
1260 . 1 . 1 103 103 ARG HD3 H 1 3.402 0.008 . 2 . . 1117 . A 103 ARG HD3 . 30550 1
1261 . 1 . 1 103 103 ARG HE H 1 9.414 0.025 . 1 . . 266 . A 103 ARG HE . 30550 1
1262 . 1 . 1 103 103 ARG HH12 H 1 6.591 .01 . 1 . . 1462 . A 103 ARG HH12 . 30550 1
1263 . 1 . 1 103 103 ARG HH21 H 1 6.591 .01 . 1 . . 1461 . A 103 ARG HH21 . 30550 1
1264 . 1 . 1 103 103 ARG C C 13 180.216 0.1 . 1 . . 621 . A 103 ARG C . 30550 1
1265 . 1 . 1 103 103 ARG CA C 13 60.817 0.02 . 1 . . 329 . A 103 ARG CA . 30550 1
1266 . 1 . 1 103 103 ARG CB C 13 30.650 0.07 . 1 . . 328 . A 103 ARG CB . 30550 1
1267 . 1 . 1 103 103 ARG CG C 13 28.788 0.07 . 1 . . 547 . A 103 ARG CG . 30550 1
1268 . 1 . 1 103 103 ARG CD C 13 43.513 0.031 . 1 . . 548 . A 103 ARG CD . 30550 1
1269 . 1 . 1 103 103 ARG N N 15 119.732 0.031 . 1 . . 114 . A 103 ARG N . 30550 1
1270 . 1 . 1 103 103 ARG NE N 15 87.035 0.05 . 1 . . 267 . A 103 ARG NE . 30550 1
1271 . 1 . 1 104 104 GLY H H 1 7.571 0.004 . 1 . . 216 . A 104 GLY H . 30550 1
1272 . 1 . 1 104 104 GLY HA2 H 1 3.973 0.01 . 2 . . 793 . A 104 GLY HA2 . 30550 1
1273 . 1 . 1 104 104 GLY HA3 H 1 4.334 0.005 . 2 . . 794 . A 104 GLY HA3 . 30550 1
1274 . 1 . 1 104 104 GLY C C 13 175.325 0.1 . 1 . . 620 . A 104 GLY C . 30550 1
1275 . 1 . 1 104 104 GLY CA C 13 48.040 0.094 . 1 . . 327 . A 104 GLY CA . 30550 1
1276 . 1 . 1 104 104 GLY N N 15 105.715 0.034 . 1 . . 217 . A 104 GLY N . 30550 1
1277 . 1 . 1 105 105 PHE H H 1 7.416 0.005 . 1 . . 61 . A 105 PHE H . 30550 1
1278 . 1 . 1 105 105 PHE HA H 1 4.378 0.006 . 1 . . 790 . A 105 PHE HA . 30550 1
1279 . 1 . 1 105 105 PHE HB2 H 1 3.065 0.009 . 1 . . 792 . A 105 PHE HB2 . 30550 1
1280 . 1 . 1 105 105 PHE HB3 H 1 2.888 0.009 . 1 . . 791 . A 105 PHE HB3 . 30550 1
1281 . 1 . 1 105 105 PHE HD1 H 1 6.823 0.019 . 1 . . 1294 . A 105 PHE HD1 . 30550 1
1282 . 1 . 1 105 105 PHE HD2 H 1 6.823 0.019 . 1 . . 1294 . A 105 PHE HD2 . 30550 1
1283 . 1 . 1 105 105 PHE HE1 H 1 6.701 0.009 . 1 . . 1301 . A 105 PHE HE1 . 30550 1
1284 . 1 . 1 105 105 PHE HE2 H 1 6.701 0.009 . 1 . . 1301 . A 105 PHE HE2 . 30550 1
1285 . 1 . 1 105 105 PHE C C 13 176.283 0.1 . 1 . . 619 . A 105 PHE C . 30550 1
1286 . 1 . 1 105 105 PHE CA C 13 60.580 0.082 . 1 . . 326 . A 105 PHE CA . 30550 1
1287 . 1 . 1 105 105 PHE CB C 13 39.023 0.033 . 1 . . 325 . A 105 PHE CB . 30550 1
1288 . 1 . 1 105 105 PHE CD1 C 13 131.254 0.1 . 1 . . 1459 . A 105 PHE CD1 . 30550 1
1289 . 1 . 1 105 105 PHE CD2 C 13 131.254 0.1 . 1 . . 1459 . A 105 PHE CD2 . 30550 1
1290 . 1 . 1 105 105 PHE CE1 C 13 130.241 0.1 . 1 . . 1457 . A 105 PHE CE1 . 30550 1
1291 . 1 . 1 105 105 PHE CE2 C 13 130.241 0.1 . 1 . . 1457 . A 105 PHE CE2 . 30550 1
1292 . 1 . 1 105 105 PHE N N 15 121.868 0.022 . 1 . . 62 . A 105 PHE N . 30550 1
1293 . 1 . 1 106 106 LYS H H 1 8.846 0.005 . 1 . . 5 . A 106 LYS H . 30550 1
1294 . 1 . 1 106 106 LYS HA H 1 3.382 0.004 . 1 . . 787 . A 106 LYS HA . 30550 1
1295 . 1 . 1 106 106 LYS HB2 H 1 1.421 0.007 . 2 . . 788 . A 106 LYS HB2 . 30550 1
1296 . 1 . 1 106 106 LYS HB3 H 1 1.644 0.004 . 2 . . 789 . A 106 LYS HB3 . 30550 1
1297 . 1 . 1 106 106 LYS HG2 H 1 1.090 0.004 . 2 . . 1166 . A 106 LYS HG2 . 30550 1
1298 . 1 . 1 106 106 LYS HG3 H 1 1.263 0.007 . 2 . . 1167 . A 106 LYS HG3 . 30550 1
1299 . 1 . 1 106 106 LYS HD2 H 1 1.642 0.006 . 1 . . 1169 . A 106 LYS HD2 . 30550 1
1300 . 1 . 1 106 106 LYS HD3 H 1 1.642 0.005 . 1 . . 1168 . A 106 LYS HD3 . 30550 1
1301 . 1 . 1 106 106 LYS HE2 H 1 2.995 0.005 . 1 . . 1425 . A 106 LYS HE2 . 30550 1
1302 . 1 . 1 106 106 LYS HE3 H 1 2.995 0.005 . 1 . . 1424 . A 106 LYS HE3 . 30550 1
1303 . 1 . 1 106 106 LYS C C 13 178.687 0.1 . 1 . . 618 . A 106 LYS C . 30550 1
1304 . 1 . 1 106 106 LYS CA C 13 58.878 0.029 . 1 . . 323 . A 106 LYS CA . 30550 1
1305 . 1 . 1 106 106 LYS CB C 13 31.874 0.029 . 1 . . 324 . A 106 LYS CB . 30550 1
1306 . 1 . 1 106 106 LYS CG C 13 24.542 0.013 . 1 . . 546 . A 106 LYS CG . 30550 1
1307 . 1 . 1 106 106 LYS CD C 13 28.963 0.065 . 1 . . 545 . A 106 LYS CD . 30550 1
1308 . 1 . 1 106 106 LYS N N 15 120.136 0.026 . 1 . . 6 . A 106 LYS N . 30550 1
1309 . 1 . 1 107 107 CYS H H 1 8.015 0.005 . 1 . . 283 . A 107 CYS H . 30550 1
1310 . 1 . 1 107 107 CYS HA H 1 4.241 0.004 . 1 . . 786 . A 107 CYS HA . 30550 1
1311 . 1 . 1 107 107 CYS HB2 H 1 3.369 0.006 . 1 . . 784 . A 107 CYS HB2 . 30550 1
1312 . 1 . 1 107 107 CYS HB3 H 1 3.613 0.018 . 1 . . 785 . A 107 CYS HB3 . 30550 1
1313 . 1 . 1 107 107 CYS C C 13 176.486 0.1 . 1 . . 617 . A 107 CYS C . 30550 1
1314 . 1 . 1 107 107 CYS CA C 13 59.427 0.023 . 1 . . 321 . A 107 CYS CA . 30550 1
1315 . 1 . 1 107 107 CYS CB C 13 36.552 0.011 . 1 . . 322 . A 107 CYS CB . 30550 1
1316 . 1 . 1 107 107 CYS N N 15 117.495 0.031 . 1 . . 284 . A 107 CYS N . 30550 1
1317 . 1 . 1 108 108 PHE H H 1 8.606 0.011 . 1 . . 281 . A 108 PHE H . 30550 1
1318 . 1 . 1 108 108 PHE HA H 1 4.240 0.004 . 1 . . 781 . A 108 PHE HA . 30550 1
1319 . 1 . 1 108 108 PHE HB2 H 1 3.264 0.011 . 1 . . 782 . A 108 PHE HB2 . 30550 1
1320 . 1 . 1 108 108 PHE HB3 H 1 2.948 0.003 . 1 . . 783 . A 108 PHE HB3 . 30550 1
1321 . 1 . 1 108 108 PHE HD1 H 1 7.020 0.019 . 1 . . 1292 . A 108 PHE HD1 . 30550 1
1322 . 1 . 1 108 108 PHE HD2 H 1 7.020 0.019 . 1 . . 1292 . A 108 PHE HD2 . 30550 1
1323 . 1 . 1 108 108 PHE HE1 H 1 7.037 0.019 . 1 . . 1303 . A 108 PHE HE1 . 30550 1
1324 . 1 . 1 108 108 PHE HE2 H 1 7.037 0.019 . 1 . . 1303 . A 108 PHE HE2 . 30550 1
1325 . 1 . 1 108 108 PHE HZ H 1 6.978 0.015 . 1 . . 1330 . A 108 PHE HZ . 30550 1
1326 . 1 . 1 108 108 PHE C C 13 177.451 0.1 . 1 . . 616 . A 108 PHE C . 30550 1
1327 . 1 . 1 108 108 PHE CA C 13 62.245 0.027 . 1 . . 319 . A 108 PHE CA . 30550 1
1328 . 1 . 1 108 108 PHE CB C 13 41.804 0.053 . 1 . . 320 . A 108 PHE CB . 30550 1
1329 . 1 . 1 108 108 PHE CD1 C 13 131.579 0.063 . 1 . . 1293 . A 108 PHE CD1 . 30550 1
1330 . 1 . 1 108 108 PHE CD2 C 13 131.579 0.063 . 1 . . 1293 . A 108 PHE CD2 . 30550 1
1331 . 1 . 1 108 108 PHE CE1 C 13 132.042 0.1 . 1 . . 1306 . A 108 PHE CE1 . 30550 1
1332 . 1 . 1 108 108 PHE CE2 C 13 132.042 0.1 . 1 . . 1306 . A 108 PHE CE2 . 30550 1
1333 . 1 . 1 108 108 PHE CZ C 13 129.015 0.017 . 1 . . 1446 . A 108 PHE CZ . 30550 1
1334 . 1 . 1 108 108 PHE N N 15 123.179 0.046 . 1 . . 282 . A 108 PHE N . 30550 1
1335 . 1 . 1 109 109 GLN H H 1 8.668 0.006 . 1 . . 55 . A 109 GLN H . 30550 1
1336 . 1 . 1 109 109 GLN HA H 1 3.610 0.005 . 1 . . 1321 . A 109 GLN HA . 30550 1
1337 . 1 . 1 109 109 GLN HB2 H 1 2.058 0.007 . 2 . . 779 . A 109 GLN HB2 . 30550 1
1338 . 1 . 1 109 109 GLN HB3 H 1 1.635 0.007 . 2 . . 780 . A 109 GLN HB3 . 30550 1
1339 . 1 . 1 109 109 GLN HG2 H 1 2.218 0.005 . 2 . . 1164 . A 109 GLN HG2 . 30550 1
1340 . 1 . 1 109 109 GLN HG3 H 1 1.815 0.004 . 2 . . 1165 . A 109 GLN HG3 . 30550 1
1341 . 1 . 1 109 109 GLN HE21 H 1 6.479 0.005 . 1 . . 719 . A 109 GLN HE21 . 30550 1
1342 . 1 . 1 109 109 GLN HE22 H 1 6.075 0.005 . 1 . . 720 . A 109 GLN HE22 . 30550 1
1343 . 1 . 1 109 109 GLN C C 13 175.569 0.1 . 1 . . 615 . A 109 GLN C . 30550 1
1344 . 1 . 1 109 109 GLN CA C 13 57.965 0.018 . 1 . . 318 . A 109 GLN CA . 30550 1
1345 . 1 . 1 109 109 GLN CB C 13 28.616 0.025 . 1 . . 317 . A 109 GLN CB . 30550 1
1346 . 1 . 1 109 109 GLN CG C 13 33.697 0.023 . 1 . . 544 . A 109 GLN CG . 30550 1
1347 . 1 . 1 109 109 GLN N N 15 116.099 0.024 . 1 . . 56 . A 109 GLN N . 30550 1
1348 . 1 . 1 109 109 GLN NE2 N 15 108.312 0.024 . 1 . . 718 . A 109 GLN NE2 . 30550 1
1349 . 1 . 1 110 110 LYS H H 1 6.972 0.007 . 1 . . 226 . A 110 LYS H . 30550 1
1350 . 1 . 1 110 110 LYS HA H 1 3.890 0.005 . 1 . . 776 . A 110 LYS HA . 30550 1
1351 . 1 . 1 110 110 LYS HB2 H 1 1.848 0.018 . 2 . . 777 . A 110 LYS HB2 . 30550 1
1352 . 1 . 1 110 110 LYS HB3 H 1 1.891 0.028 . 2 . . 778 . A 110 LYS HB3 . 30550 1
1353 . 1 . 1 110 110 LYS HG2 H 1 1.404 0.008 . 2 . . 1245 . A 110 LYS HG2 . 30550 1
1354 . 1 . 1 110 110 LYS HG3 H 1 1.522 0.005 . 2 . . 1246 . A 110 LYS HG3 . 30550 1
1355 . 1 . 1 110 110 LYS HE2 H 1 3.005 0.004 . 1 . . 1434 . A 110 LYS HE2 . 30550 1
1356 . 1 . 1 110 110 LYS HE3 H 1 3.005 0.004 . 1 . . 1433 . A 110 LYS HE3 . 30550 1
1357 . 1 . 1 110 110 LYS C C 13 177.405 0.1 . 1 . . 614 . A 110 LYS C . 30550 1
1358 . 1 . 1 110 110 LYS CA C 13 59.918 0.042 . 1 . . 315 . A 110 LYS CA . 30550 1
1359 . 1 . 1 110 110 LYS CB C 13 32.081 0.042 . 1 . . 316 . A 110 LYS CB . 30550 1
1360 . 1 . 1 110 110 LYS CG C 13 24.510 0.026 . 1 . . 543 . A 110 LYS CG . 30550 1
1361 . 1 . 1 110 110 LYS CD C 13 28.897 0.1 . 1 . . 542 . A 110 LYS CD . 30550 1
1362 . 1 . 1 110 110 LYS N N 15 118.717 0.018 . 1 . . 227 . A 110 LYS N . 30550 1
1363 . 1 . 1 111 111 ASN H H 1 7.395 0.011 . 1 . . 139 . A 111 ASN H . 30550 1
1364 . 1 . 1 111 111 ASN HA H 1 5.077 0.005 . 1 . . 775 . A 111 ASN HA . 30550 1
1365 . 1 . 1 111 111 ASN HB2 H 1 2.527 0.005 . 1 . . 773 . A 111 ASN HB2 . 30550 1
1366 . 1 . 1 111 111 ASN HB3 H 1 2.765 0.009 . 1 . . 774 . A 111 ASN HB3 . 30550 1
1367 . 1 . 1 111 111 ASN HD21 H 1 6.921 0.006 . 1 . . 183 . A 111 ASN HD21 . 30550 1
1368 . 1 . 1 111 111 ASN HD22 H 1 7.822 0.005 . 1 . . 245 . A 111 ASN HD22 . 30550 1
1369 . 1 . 1 111 111 ASN C C 13 176.147 0.1 . 1 . . 613 . A 111 ASN C . 30550 1
1370 . 1 . 1 111 111 ASN CA C 13 52.917 0.032 . 1 . . 313 . A 111 ASN CA . 30550 1
1371 . 1 . 1 111 111 ASN CB C 13 40.847 0.017 . 1 . . 314 . A 111 ASN CB . 30550 1
1372 . 1 . 1 111 111 ASN N N 15 109.757 0.041 . 1 . . 140 . A 111 ASN N . 30550 1
1373 . 1 . 1 111 111 ASN ND2 N 15 114.375 0.035 . 1 . . 184 . A 111 ASN ND2 . 30550 1
1374 . 1 . 1 112 112 ASN H H 1 7.321 0.007 . 1 . . 173 . A 112 ASN H . 30550 1
1375 . 1 . 1 112 112 ASN HA H 1 5.159 0.005 . 1 . . 770 . A 112 ASN HA . 30550 1
1376 . 1 . 1 112 112 ASN HB2 H 1 1.445 0.014 . 1 . . 772 . A 112 ASN HB2 . 30550 1
1377 . 1 . 1 112 112 ASN HB3 H 1 2.301 0.014 . 1 . . 771 . A 112 ASN HB3 . 30550 1
1378 . 1 . 1 112 112 ASN HD21 H 1 7.205 0.004 . 1 . . 272 . A 112 ASN HD21 . 30550 1
1379 . 1 . 1 112 112 ASN HD22 H 1 6.167 0.005 . 1 . . 273 . A 112 ASN HD22 . 30550 1
1380 . 1 . 1 112 112 ASN C C 13 175.141 0.1 . 1 . . 612 . A 112 ASN C . 30550 1
1381 . 1 . 1 112 112 ASN CA C 13 52.908 0.033 . 1 . . 311 . A 112 ASN CA . 30550 1
1382 . 1 . 1 112 112 ASN CB C 13 40.508 0.034 . 1 . . 312 . A 112 ASN CB . 30550 1
1383 . 1 . 1 112 112 ASN N N 15 115.375 0.03 . 1 . . 174 . A 112 ASN N . 30550 1
1384 . 1 . 1 112 112 ASN ND2 N 15 117.080 0.017 . 1 . . 144 . A 112 ASN ND2 . 30550 1
1385 . 1 . 1 113 113 LEU H H 1 7.922 0.013 . 1 . . 7 . A 113 LEU H . 30550 1
1386 . 1 . 1 113 113 LEU HA H 1 3.959 0.006 . 1 . . 767 . A 113 LEU HA . 30550 1
1387 . 1 . 1 113 113 LEU HB2 H 1 1.981 0.009 . 1 . . 769 . A 113 LEU HB2 . 30550 1
1388 . 1 . 1 113 113 LEU HB3 H 1 1.807 0.005 . 1 . . 768 . A 113 LEU HB3 . 30550 1
1389 . 1 . 1 113 113 LEU HG H 1 1.377 0.004 . 1 . . 1221 . A 113 LEU HG . 30550 1
1390 . 1 . 1 113 113 LEU HD11 H 1 0.908 0.007 . 1 . . 1223 . A 113 LEU HD11 . 30550 1
1391 . 1 . 1 113 113 LEU HD12 H 1 0.908 0.007 . 1 . . 1223 . A 113 LEU HD12 . 30550 1
1392 . 1 . 1 113 113 LEU HD13 H 1 0.908 0.007 . 1 . . 1223 . A 113 LEU HD13 . 30550 1
1393 . 1 . 1 113 113 LEU HD21 H 1 0.914 0.009 . 1 . . 1224 . A 113 LEU HD21 . 30550 1
1394 . 1 . 1 113 113 LEU HD22 H 1 0.914 0.009 . 1 . . 1224 . A 113 LEU HD22 . 30550 1
1395 . 1 . 1 113 113 LEU HD23 H 1 0.914 0.009 . 1 . . 1224 . A 113 LEU HD23 . 30550 1
1396 . 1 . 1 113 113 LEU C C 13 178.358 0.1 . 1 . . 611 . A 113 LEU C . 30550 1
1397 . 1 . 1 113 113 LEU CA C 13 59.328 0.055 . 1 . . 310 . A 113 LEU CA . 30550 1
1398 . 1 . 1 113 113 LEU CB C 13 40.948 0.025 . 1 . . 309 . A 113 LEU CB . 30550 1
1399 . 1 . 1 113 113 LEU CG C 13 26.748 0.057 . 1 . . 1222 . A 113 LEU CG . 30550 1
1400 . 1 . 1 113 113 LEU CD1 C 13 23.365 0.035 . 1 . . 541 . A 113 LEU CD1 . 30550 1
1401 . 1 . 1 113 113 LEU CD2 C 13 25.643 0.032 . 1 . . 540 . A 113 LEU CD2 . 30550 1
1402 . 1 . 1 113 113 LEU N N 15 122.931 0.04 . 1 . . 8 . A 113 LEU N . 30550 1
1403 . 1 . 1 114 114 SER H H 1 8.844 0.007 . 1 . . 63 . A 114 SER H . 30550 1
1404 . 1 . 1 114 114 SER HA H 1 3.962 0.005 . 1 . . 763 . A 114 SER HA . 30550 1
1405 . 1 . 1 114 114 SER HB2 H 1 3.849 0.005 . 1 . . 766 . A 114 SER HB2 . 30550 1
1406 . 1 . 1 114 114 SER HB3 H 1 3.849 0.005 . 1 . . 765 . A 114 SER HB3 . 30550 1
1407 . 1 . 1 114 114 SER C C 13 176.868 0.1 . 1 . . 610 . A 114 SER C . 30550 1
1408 . 1 . 1 114 114 SER CA C 13 61.968 0.032 . 1 . . 279 . A 114 SER CA . 30550 1
1409 . 1 . 1 114 114 SER CB C 13 61.936 0.011 . 1 . . 764 . A 114 SER CB . 30550 1
1410 . 1 . 1 114 114 SER N N 15 112.274 0.017 . 1 . . 64 . A 114 SER N . 30550 1
1411 . 1 . 1 115 115 LEU H H 1 7.288 0.006 . 1 . . 111 . A 115 LEU H . 30550 1
1412 . 1 . 1 115 115 LEU HA H 1 4.206 0.004 . 1 . . 760 . A 115 LEU HA . 30550 1
1413 . 1 . 1 115 115 LEU HB2 H 1 1.863 0.017 . 2 . . 761 . A 115 LEU HB2 . 30550 1
1414 . 1 . 1 115 115 LEU HB3 H 1 1.877 0.019 . 2 . . 762 . A 115 LEU HB3 . 30550 1
1415 . 1 . 1 115 115 LEU HD11 H 1 1.025 0.004 . 1 . . 1161 . A 115 LEU HD11 . 30550 1
1416 . 1 . 1 115 115 LEU HD12 H 1 1.025 0.004 . 1 . . 1161 . A 115 LEU HD12 . 30550 1
1417 . 1 . 1 115 115 LEU HD13 H 1 1.025 0.004 . 1 . . 1161 . A 115 LEU HD13 . 30550 1
1418 . 1 . 1 115 115 LEU HD21 H 1 1.037 0.008 . 1 . . 1163 . A 115 LEU HD21 . 30550 1
1419 . 1 . 1 115 115 LEU HD22 H 1 1.037 0.008 . 1 . . 1163 . A 115 LEU HD22 . 30550 1
1420 . 1 . 1 115 115 LEU HD23 H 1 1.037 0.008 . 1 . . 1163 . A 115 LEU HD23 . 30550 1
1421 . 1 . 1 115 115 LEU C C 13 179.646 0.1 . 1 . . 609 . A 115 LEU C . 30550 1
1422 . 1 . 1 115 115 LEU CA C 13 57.756 0.016 . 1 . . 307 . A 115 LEU CA . 30550 1
1423 . 1 . 1 115 115 LEU CB C 13 42.802 0.04 . 1 . . 308 . A 115 LEU CB . 30550 1
1424 . 1 . 1 115 115 LEU CD1 C 13 24.093 0.042 . 1 . . 1162 . A 115 LEU CD1 . 30550 1
1425 . 1 . 1 115 115 LEU CD2 C 13 25.782 0.035 . 1 . . 539 . A 115 LEU CD2 . 30550 1
1426 . 1 . 1 115 115 LEU N N 15 123.548 0.024 . 1 . . 112 . A 115 LEU N . 30550 1
1427 . 1 . 1 116 116 ILE H H 1 7.717 0.006 . 1 . . 175 . A 116 ILE H . 30550 1
1428 . 1 . 1 116 116 ILE HA H 1 3.497 0.005 . 1 . . 759 . A 116 ILE HA . 30550 1
1429 . 1 . 1 116 116 ILE HB H 1 2.224 0.004 . 1 . . 758 . A 116 ILE HB . 30550 1
1430 . 1 . 1 116 116 ILE HG12 H 1 1.146 0.004 . 2 . . 1331 . A 116 ILE HG12 . 30550 1
1431 . 1 . 1 116 116 ILE HG13 H 1 2.099 0.01 . 2 . . 1333 . A 116 ILE HG13 . 30550 1
1432 . 1 . 1 116 116 ILE HG21 H 1 1.151 0.004 . 1 . . 1160 . A 116 ILE HG21 . 30550 1
1433 . 1 . 1 116 116 ILE HG22 H 1 1.151 0.004 . 1 . . 1160 . A 116 ILE HG22 . 30550 1
1434 . 1 . 1 116 116 ILE HG23 H 1 1.151 0.004 . 1 . . 1160 . A 116 ILE HG23 . 30550 1
1435 . 1 . 1 116 116 ILE HD11 H 1 1.149 0.004 . 1 . . 1153 . A 116 ILE HD11 . 30550 1
1436 . 1 . 1 116 116 ILE HD12 H 1 1.149 0.004 . 1 . . 1153 . A 116 ILE HD12 . 30550 1
1437 . 1 . 1 116 116 ILE HD13 H 1 1.149 0.004 . 1 . . 1153 . A 116 ILE HD13 . 30550 1
1438 . 1 . 1 116 116 ILE C C 13 179.314 0.1 . 1 . . 608 . A 116 ILE C . 30550 1
1439 . 1 . 1 116 116 ILE CA C 13 66.063 0.032 . 1 . . 306 . A 116 ILE CA . 30550 1
1440 . 1 . 1 116 116 ILE CB C 13 39.019 0.035 . 1 . . 305 . A 116 ILE CB . 30550 1
1441 . 1 . 1 116 116 ILE CG1 C 13 27.658 0.026 . 1 . . 1332 . A 116 ILE CG1 . 30550 1
1442 . 1 . 1 116 116 ILE CG2 C 13 18.571 0.034 . 1 . . 538 . A 116 ILE CG2 . 30550 1
1443 . 1 . 1 116 116 ILE CD1 C 13 15.219 0.05 . 1 . . 1152 . A 116 ILE CD1 . 30550 1
1444 . 1 . 1 116 116 ILE N N 15 118.889 0.015 . 1 . . 176 . A 116 ILE N . 30550 1
1445 . 1 . 1 117 117 LYS H H 1 8.044 0.009 . 1 . . 277 . A 117 LYS H . 30550 1
1446 . 1 . 1 117 117 LYS HA H 1 3.786 0.007 . 1 . . 755 . A 117 LYS HA . 30550 1
1447 . 1 . 1 117 117 LYS HB2 H 1 1.652 0.012 . 2 . . 756 . A 117 LYS HB2 . 30550 1
1448 . 1 . 1 117 117 LYS HB3 H 1 1.699 0.03 . 2 . . 757 . A 117 LYS HB3 . 30550 1
1449 . 1 . 1 117 117 LYS HG2 H 1 0.635 0.005 . 2 . . 1156 . A 117 LYS HG2 . 30550 1
1450 . 1 . 1 117 117 LYS HG3 H 1 1.113 0.006 . 2 . . 1157 . A 117 LYS HG3 . 30550 1
1451 . 1 . 1 117 117 LYS HD2 H 1 1.216 0.007 . 1 . . 1158 . A 117 LYS HD2 . 30550 1
1452 . 1 . 1 117 117 LYS HD3 H 1 1.216 0.007 . 1 . . 1159 . A 117 LYS HD3 . 30550 1
1453 . 1 . 1 117 117 LYS HE2 H 1 1.944 0.004 . 2 . . 1247 . A 117 LYS HE2 . 30550 1
1454 . 1 . 1 117 117 LYS HE3 H 1 2.110 0.006 . 2 . . 1249 . A 117 LYS HE3 . 30550 1
1455 . 1 . 1 117 117 LYS C C 13 178.805 0.1 . 1 . . 607 . A 117 LYS C . 30550 1
1456 . 1 . 1 117 117 LYS CA C 13 60.099 0.028 . 1 . . 303 . A 117 LYS CA . 30550 1
1457 . 1 . 1 117 117 LYS CB C 13 32.506 0.037 . 1 . . 304 . A 117 LYS CB . 30550 1
1458 . 1 . 1 117 117 LYS CG C 13 25.579 0.052 . 1 . . 536 . A 117 LYS CG . 30550 1
1459 . 1 . 1 117 117 LYS CD C 13 29.451 0.032 . 1 . . 537 . A 117 LYS CD . 30550 1
1460 . 1 . 1 117 117 LYS CE C 13 41.136 0.023 . 1 . . 1248 . A 117 LYS CE . 30550 1
1461 . 1 . 1 117 117 LYS N N 15 117.321 0.017 . 1 . . 280 . A 117 LYS N . 30550 1
1462 . 1 . 1 118 118 ALA H H 1 7.971 0.009 . 1 . . 49 . A 118 ALA H . 30550 1
1463 . 1 . 1 118 118 ALA HA H 1 4.179 0.006 . 1 . . 753 . A 118 ALA HA . 30550 1
1464 . 1 . 1 118 118 ALA HB1 H 1 1.501 0.004 . 1 . . 754 . A 118 ALA HB1 . 30550 1
1465 . 1 . 1 118 118 ALA HB2 H 1 1.501 0.004 . 1 . . 754 . A 118 ALA HB2 . 30550 1
1466 . 1 . 1 118 118 ALA HB3 H 1 1.501 0.004 . 1 . . 754 . A 118 ALA HB3 . 30550 1
1467 . 1 . 1 118 118 ALA C C 13 180.107 0.1 . 1 . . 606 . A 118 ALA C . 30550 1
1468 . 1 . 1 118 118 ALA CA C 13 54.060 0.013 . 1 . . 301 . A 118 ALA CA . 30550 1
1469 . 1 . 1 118 118 ALA CB C 13 18.466 0.068 . 1 . . 302 . A 118 ALA CB . 30550 1
1470 . 1 . 1 118 118 ALA N N 15 118.861 0.109 . 1 . . 50 . A 118 ALA N . 30550 1
1471 . 1 . 1 119 119 SER H H 1 7.812 0.009 . 1 . . 128 . A 119 SER H . 30550 1
1472 . 1 . 1 119 119 SER HA H 1 4.268 0.011 . 1 . . 750 . A 119 SER HA . 30550 1
1473 . 1 . 1 119 119 SER HB2 H 1 4.404 0.003 . 2 . . 751 . A 119 SER HB2 . 30550 1
1474 . 1 . 1 119 119 SER HB3 H 1 4.678 .01 . 2 . . 752 . A 119 SER HB3 . 30550 1
1475 . 1 . 1 119 119 SER HG H 1 5.259 0.001 . 1 . . 1320 . A 119 SER HG . 30550 1
1476 . 1 . 1 119 119 SER C C 13 175.183 0.1 . 1 . . 605 . A 119 SER C . 30550 1
1477 . 1 . 1 119 119 SER CA C 13 61.741 0.025 . 1 . . 299 . A 119 SER CA . 30550 1
1478 . 1 . 1 119 119 SER CB C 13 64.296 0.041 . 1 . . 300 . A 119 SER CB . 30550 1
1479 . 1 . 1 119 119 SER N N 15 114.087 0.019 . 1 . . 129 . A 119 SER N . 30550 1
1480 . 1 . 1 120 120 ILE H H 1 6.869 0.004 . 1 . . 257 . A 120 ILE H . 30550 1
1481 . 1 . 1 120 120 ILE HA H 1 4.835 0.002 . 1 . . 749 . A 120 ILE HA . 30550 1
1482 . 1 . 1 120 120 ILE HB H 1 2.040 0.005 . 1 . . 748 . A 120 ILE HB . 30550 1
1483 . 1 . 1 120 120 ILE HG12 H 1 1.456 0.009 . 1 . . 1337 . A 120 ILE HG12 . 30550 1
1484 . 1 . 1 120 120 ILE HG13 H 1 1.456 0.009 . 1 . . 1338 . A 120 ILE HG13 . 30550 1
1485 . 1 . 1 120 120 ILE HG21 H 1 0.909 0.009 . 1 . . 1155 . A 120 ILE HG21 . 30550 1
1486 . 1 . 1 120 120 ILE HG22 H 1 0.909 0.009 . 1 . . 1155 . A 120 ILE HG22 . 30550 1
1487 . 1 . 1 120 120 ILE HG23 H 1 0.909 0.009 . 1 . . 1155 . A 120 ILE HG23 . 30550 1
1488 . 1 . 1 120 120 ILE HD11 H 1 1.030 0.011 . 1 . . 1154 . A 120 ILE HD11 . 30550 1
1489 . 1 . 1 120 120 ILE HD12 H 1 1.030 0.011 . 1 . . 1154 . A 120 ILE HD12 . 30550 1
1490 . 1 . 1 120 120 ILE HD13 H 1 1.030 0.011 . 1 . . 1154 . A 120 ILE HD13 . 30550 1
1491 . 1 . 1 120 120 ILE C C 13 175.155 0.1 . 1 . . 604 . A 120 ILE C . 30550 1
1492 . 1 . 1 120 120 ILE CA C 13 60.308 0.01 . 1 . . 297 . A 120 ILE CA . 30550 1
1493 . 1 . 1 120 120 ILE CB C 13 38.453 0.03 . 1 . . 298 . A 120 ILE CB . 30550 1
1494 . 1 . 1 120 120 ILE CG1 C 13 25.872 0.078 . 1 . . 533 . A 120 ILE CG1 . 30550 1
1495 . 1 . 1 120 120 ILE CG2 C 13 17.699 0.026 . 1 . . 534 . A 120 ILE CG2 . 30550 1
1496 . 1 . 1 120 120 ILE CD1 C 13 14.645 0.051 . 1 . . 535 . A 120 ILE CD1 . 30550 1
1497 . 1 . 1 120 120 ILE N N 15 112.678 0.038 . 1 . . 256 . A 120 ILE N . 30550 1
1498 . 1 . 1 121 121 LYS H H 1 7.497 0.005 . 1 . . 76 . A 121 LYS H . 30550 1
1499 . 1 . 1 121 121 LYS HA H 1 4.383 0.004 . 1 . . 1151 . A 121 LYS HA . 30550 1
1500 . 1 . 1 121 121 LYS HB2 H 1 1.870 0.007 . 2 . . 746 . A 121 LYS HB2 . 30550 1
1501 . 1 . 1 121 121 LYS HB3 H 1 1.923 0.02 . 2 . . 747 . A 121 LYS HB3 . 30550 1
1502 . 1 . 1 121 121 LYS HG2 H 1 1.506 0.006 . 1 . . 1428 . A 121 LYS HG2 . 30550 1
1503 . 1 . 1 121 121 LYS HG3 H 1 1.506 0.006 . 1 . . 1429 . A 121 LYS HG3 . 30550 1
1504 . 1 . 1 121 121 LYS C C 13 176.253 0.1 . 1 . . 603 . A 121 LYS C . 30550 1
1505 . 1 . 1 121 121 LYS CA C 13 56.579 0.032 . 1 . . 296 . A 121 LYS CA . 30550 1
1506 . 1 . 1 121 121 LYS CB C 13 33.241 0.035 . 1 . . 295 . A 121 LYS CB . 30550 1
1507 . 1 . 1 121 121 LYS CG C 13 24.700 0.1 . 1 . . 530 . A 121 LYS CG . 30550 1
1508 . 1 . 1 121 121 LYS CD C 13 29.086 0.1 . 1 . . 531 . A 121 LYS CD . 30550 1
1509 . 1 . 1 121 121 LYS CE C 13 41.867 0.1 . 1 . . 532 . A 121 LYS CE . 30550 1
1510 . 1 . 1 121 121 LYS N N 15 123.268 0.014 . 1 . . 77 . A 121 LYS N . 30550 1
1511 . 1 . 1 122 122 LYS H H 1 8.648 0.013 . 1 . . 25 . A 122 LYS H . 30550 1
1512 . 1 . 1 122 122 LYS HA H 1 4.425 0.007 . 1 . . 743 . A 122 LYS HA . 30550 1
1513 . 1 . 1 122 122 LYS HB2 H 1 1.780 0.011 . 2 . . 744 . A 122 LYS HB2 . 30550 1
1514 . 1 . 1 122 122 LYS HB3 H 1 1.908 0.007 . 2 . . 745 . A 122 LYS HB3 . 30550 1
1515 . 1 . 1 122 122 LYS C C 13 175.386 0.1 . 1 . . 602 . A 122 LYS C . 30550 1
1516 . 1 . 1 122 122 LYS CA C 13 56.437 0.02 . 1 . . 521 . A 122 LYS CA . 30550 1
1517 . 1 . 1 122 122 LYS CB C 13 33.548 0.022 . 1 . . 520 . A 122 LYS CB . 30550 1
1518 . 1 . 1 122 122 LYS CG C 13 24.709 0.1 . 1 . . 527 . A 122 LYS CG . 30550 1
1519 . 1 . 1 122 122 LYS CD C 13 29.114 0.1 . 1 . . 528 . A 122 LYS CD . 30550 1
1520 . 1 . 1 122 122 LYS CE C 13 42.247 0.1 . 1 . . 529 . A 122 LYS CE . 30550 1
1521 . 1 . 1 122 122 LYS N N 15 125.113 0.05 . 1 . . 26 . A 122 LYS N . 30550 1
1522 . 1 . 1 123 123 ASP H H 1 8.143 0.008 . 1 . . 205 . A 123 ASP H . 30550 1
1523 . 1 . 1 123 123 ASP HA H 1 4.401 0.008 . 1 . . 742 . A 123 ASP HA . 30550 1
1524 . 1 . 1 123 123 ASP HB2 H 1 2.688 0.013 . 2 . . 740 . A 123 ASP HB2 . 30550 1
1525 . 1 . 1 123 123 ASP HB3 H 1 2.611 0.019 . 2 . . 741 . A 123 ASP HB3 . 30550 1
1526 . 1 . 1 123 123 ASP CA C 13 55.873 0.029 . 1 . . 523 . A 123 ASP CA . 30550 1
1527 . 1 . 1 123 123 ASP CB C 13 42.213 0.012 . 1 . . 522 . A 123 ASP CB . 30550 1
1528 . 1 . 1 123 123 ASP N N 15 128.208 0.019 . 1 . . 206 . A 123 ASP N . 30550 1
1529 . 2 . 2 1 1 ACD H5 H 1 4.998 0.016 . 1 . . 1394 . A 201 ACD H5 . 30550 1
1530 . 2 . 2 1 1 ACD H6 H 1 5.120 0.006 . 1 . . 1395 . A 201 ACD H6 . 30550 1
1531 . 2 . 2 1 1 ACD H8 H 1 5.380 0.006 . 1 . . 1393 . A 201 ACD H8 . 30550 1
1532 . 2 . 2 1 1 ACD H9 H 1 5.544 0.008 . 1 . . 1392 . A 201 ACD H9 . 30550 1
1533 . 2 . 2 1 1 ACD H11 H 1 5.585 0.015 . 1 . . 1391 . A 201 ACD H11 . 30550 1
1534 . 2 . 2 1 1 ACD H12 H 1 4.923 0.007 . 1 . . 1390 . A 201 ACD H12 . 30550 1
1535 . 2 . 2 1 1 ACD H14 H 1 5.365 0.005 . 1 . . 1389 . A 201 ACD H14 . 30550 1
1536 . 2 . 2 1 1 ACD H15 H 1 5.667 0.013 . 1 . . 1387 . A 201 ACD H15 . 30550 1
1537 . 2 . 2 1 1 ACD H21 H 1 2.052 0.006 . 1 . . 1410 . A 201 ACD H21 . 30550 1
1538 . 2 . 2 1 1 ACD H22 H 1 2.052 0.006 . 1 . . 1409 . A 201 ACD H22 . 30550 1
1539 . 2 . 2 1 1 ACD H31 H 1 1.198 0.016 . 2 . . 1404 . A 201 ACD H31 . 30550 1
1540 . 2 . 2 1 1 ACD H32 H 1 1.379 0.011 . 2 . . 1405 . A 201 ACD H32 . 30550 1
1541 . 2 . 2 1 1 ACD H41 H 1 1.811 0.005 . 2 . . 1402 . A 201 ACD H41 . 30550 1
1542 . 2 . 2 1 1 ACD H42 H 1 1.364 0.011 . 2 . . 1403 . A 201 ACD H42 . 30550 1
1543 . 2 . 2 1 1 ACD H71 H 1 2.761 0.003 . 2 . . 1400 . A 201 ACD H71 . 30550 1
1544 . 2 . 2 1 1 ACD H72 H 1 2.896 0.008 . 2 . . 1401 . A 201 ACD H72 . 30550 1
1545 . 2 . 2 1 1 ACD H101 H 1 2.173 0.013 . 2 . . 1398 . A 201 ACD H101 . 30550 1
1546 . 2 . 2 1 1 ACD H102 H 1 3.126 0.006 . 2 . . 1399 . A 201 ACD H102 . 30550 1
1547 . 2 . 2 1 1 ACD H131 H 1 2.098 0.022 . 2 . . 1396 . A 201 ACD H131 . 30550 1
1548 . 2 . 2 1 1 ACD H132 H 1 2.318 0.009 . 2 . . 1397 . A 201 ACD H132 . 30550 1
1549 . 2 . 2 1 1 ACD H161 H 1 1.342 0.006 . 2 . . 1406 . A 201 ACD H161 . 30550 1
1550 . 2 . 2 1 1 ACD H162 H 1 1.787 0.008 . 2 . . 1407 . A 201 ACD H162 . 30550 1
1551 . 2 . 2 1 1 ACD H171 H 1 0.946 0.016 . 2 . . 1388 . A 201 ACD H171 . 30550 1
1552 . 2 . 2 1 1 ACD H172 H 1 1.212 0.012 . 2 . . 1408 . A 201 ACD H172 . 30550 1
1553 . 2 . 2 1 1 ACD H181 H 1 0.885 0.01 . 2 . . 1383 . A 201 ACD H181 . 30550 1
1554 . 2 . 2 1 1 ACD H182 H 1 1.161 0.01 . 2 . . 1386 . A 201 ACD H182 . 30550 1
1555 . 2 . 2 1 1 ACD H191 H 1 0.977 0.008 . 2 . . 1384 . A 201 ACD H191 . 30550 1
1556 . 2 . 2 1 1 ACD H192 H 1 1.177 0.012 . 2 . . 1385 . A 201 ACD H192 . 30550 1
1557 . 2 . 2 1 1 ACD H201 H 1 0.683 0.008 . 1 . . 1340 . A 201 ACD H201 . 30550 1
1558 . 2 . 2 1 1 ACD H202 H 1 0.683 0.008 . 1 . . 1340 . A 201 ACD H202 . 30550 1
1559 . 2 . 2 1 1 ACD H203 H 1 0.683 0.008 . 1 . . 1340 . A 201 ACD H203 . 30550 1
stop_
save_