###################################
# 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 26328
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Backbone assignment of the N-terminal SH2 domain of PI3K'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 26328 1
2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 26328 1
3 '3D HNCACB' 1 $sample_1 isotropic 26328 1
4 '3D HNCA' 1 $sample_1 isotropic 26328 1
5 '3D HN(CO)CA' 1 $sample_1 isotropic 26328 1
6 '3D HNCO' 1 $sample_1 isotropic 26328 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 26328 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 SER CA C 13 58.418 0.064 . 1 . . . . . 324 S CA . 26328 1
2 . 1 . 1 1 1 SER CB C 13 64.083 0.069 . 1 . . . . . 324 S CB . 26328 1
3 . 1 . 1 2 2 ASN H H 1 8.689 0.008 . 1 . . . . . 325 N HN . 26328 1
4 . 1 . 1 2 2 ASN C C 13 175.503 0.023 . 1 . . . . . 325 N C . 26328 1
5 . 1 . 1 2 2 ASN CA C 13 53.551 0.054 . 1 . . . . . 325 N CA . 26328 1
6 . 1 . 1 2 2 ASN CB C 13 38.736 0.102 . 1 . . . . . 325 N CB . 26328 1
7 . 1 . 1 2 2 ASN N N 15 121.244 0.076 . 1 . . . . . 325 N N . 26328 1
8 . 1 . 1 3 3 MET H H 1 8.406 0.004 . 1 . . . . . 326 M HN . 26328 1
9 . 1 . 1 3 3 MET C C 13 176.151 0.009 . 1 . . . . . 326 M C . 26328 1
10 . 1 . 1 3 3 MET CA C 13 55.587 0.054 . 1 . . . . . 326 M CA . 26328 1
11 . 1 . 1 3 3 MET CB C 13 32.391 0.016 . 1 . . . . . 326 M CB . 26328 1
12 . 1 . 1 3 3 MET N N 15 121.374 0.065 . 1 . . . . . 326 M N . 26328 1
13 . 1 . 1 4 4 SER H H 1 8.200 0.002 . 1 . . . . . 327 S HN . 26328 1
14 . 1 . 1 4 4 SER C C 13 175.709 0.009 . 1 . . . . . 327 S C . 26328 1
15 . 1 . 1 4 4 SER CA C 13 58.396 0.049 . 1 . . . . . 327 S CA . 26328 1
16 . 1 . 1 4 4 SER CB C 13 63.872 0.053 . 1 . . . . . 327 S CB . 26328 1
17 . 1 . 1 4 4 SER N N 15 116.565 0.044 . 1 . . . . . 327 S N . 26328 1
18 . 1 . 1 5 5 LEU H H 1 8.317 0.006 . 1 . . . . . 328 L HN . 26328 1
19 . 1 . 1 5 5 LEU C C 13 177.246 0.010 . 1 . . . . . 328 L C . 26328 1
20 . 1 . 1 5 5 LEU CA C 13 57.066 0.069 . 1 . . . . . 328 L CA . 26328 1
21 . 1 . 1 5 5 LEU CB C 13 41.221 0.074 . 1 . . . . . 328 L CB . 26328 1
22 . 1 . 1 5 5 LEU N N 15 126.502 0.089 . 1 . . . . . 328 L N . 26328 1
23 . 1 . 1 6 6 GLN H H 1 7.799 0.004 . 1 . . . . . 329 Q HN . 26328 1
24 . 1 . 1 6 6 GLN C C 13 176.678 0.005 . 1 . . . . . 329 Q C . 26328 1
25 . 1 . 1 6 6 GLN CA C 13 58.418 0.050 . 1 . . . . . 329 Q CA . 26328 1
26 . 1 . 1 6 6 GLN CB C 13 28.173 0.117 . 1 . . . . . 329 Q CB . 26328 1
27 . 1 . 1 6 6 GLN N N 15 113.734 0.054 . 1 . . . . . 329 Q N . 26328 1
28 . 1 . 1 7 7 ASN H H 1 7.367 0.002 . 1 . . . . . 330 N HN . 26328 1
29 . 1 . 1 7 7 ASN C C 13 174.414 0.001 . 1 . . . . . 330 N C . 26328 1
30 . 1 . 1 7 7 ASN CA C 13 52.621 0.047 . 1 . . . . . 330 N CA . 26328 1
31 . 1 . 1 7 7 ASN CB C 13 39.356 0.076 . 1 . . . . . 330 N CB . 26328 1
32 . 1 . 1 7 7 ASN N N 15 113.913 0.066 . 1 . . . . . 330 N N . 26328 1
33 . 1 . 1 8 8 ALA H H 1 7.429 0.002 . 1 . . . . . 331 A HN . 26328 1
34 . 1 . 1 8 8 ALA C C 13 178.962 0.008 . 1 . . . . . 331 A C . 26328 1
35 . 1 . 1 8 8 ALA CA C 13 52.047 0.044 . 1 . . . . . 331 A CA . 26328 1
36 . 1 . 1 8 8 ALA CB C 13 17.353 0.087 . 1 . . . . . 331 A CB . 26328 1
37 . 1 . 1 8 8 ALA N N 15 125.081 0.055 . 1 . . . . . 331 A N . 26328 1
38 . 1 . 1 9 9 GLU H H 1 9.351 0.005 . 1 . . . . . 332 E HN . 26328 1
39 . 1 . 1 9 9 GLU C C 13 174.282 0.003 . 1 . . . . . 332 E C . 26328 1
40 . 1 . 1 9 9 GLU CA C 13 58.916 0.064 . 1 . . . . . 332 E CA . 26328 1
41 . 1 . 1 9 9 GLU CB C 13 28.794 0.095 . 1 . . . . . 332 E CB . 26328 1
42 . 1 . 1 9 9 GLU N N 15 124.456 0.040 . 1 . . . . . 332 E N . 26328 1
43 . 1 . 1 10 10 TRP H H 1 5.836 0.002 . 1 . . . . . 333 W HN . 26328 1
44 . 1 . 1 10 10 TRP HE1 H 1 11.108 0.003 . 1 . . . . . 333 W HE1 . 26328 1
45 . 1 . 1 10 10 TRP C C 13 176.193 0.004 . 1 . . . . . 333 W C . 26328 1
46 . 1 . 1 10 10 TRP CA C 13 52.958 0.059 . 1 . . . . . 333 W CA . 26328 1
47 . 1 . 1 10 10 TRP CB C 13 30.308 0.069 . 1 . . . . . 333 W CB . 26328 1
48 . 1 . 1 10 10 TRP N N 15 109.430 0.030 . 1 . . . . . 333 W N . 26328 1
49 . 1 . 1 10 10 TRP NE1 N 15 132.903 0.000 . 1 . . . . . 333 W NE1 . 26328 1
50 . 1 . 1 11 11 TYR H H 1 7.283 0.003 . 1 . . . . . 334 Y HN . 26328 1
51 . 1 . 1 11 11 TYR C C 13 174.987 0.002 . 1 . . . . . 334 Y C . 26328 1
52 . 1 . 1 11 11 TYR CA C 13 56.410 0.057 . 1 . . . . . 334 Y CA . 26328 1
53 . 1 . 1 11 11 TYR CB C 13 38.531 0.044 . 1 . . . . . 334 Y CB . 26328 1
54 . 1 . 1 11 11 TYR N N 15 123.092 0.038 . 1 . . . . . 334 Y N . 26328 1
55 . 1 . 1 12 12 TRP H H 1 8.796 0.003 . 1 . . . . . 335 W HN . 26328 1
56 . 1 . 1 12 12 TRP HE1 H 1 10.254 0.009 . 1 . . . . . 335 W HE1 . 26328 1
57 . 1 . 1 12 12 TRP C C 13 176.055 0.000 . 1 . . . . . 335 W C . 26328 1
58 . 1 . 1 12 12 TRP CA C 13 57.383 0.075 . 1 . . . . . 335 W CA . 26328 1
59 . 1 . 1 12 12 TRP CB C 13 30.148 0.100 . 1 . . . . . 335 W CB . 26328 1
60 . 1 . 1 12 12 TRP N N 15 127.174 0.046 . 1 . . . . . 335 W N . 26328 1
61 . 1 . 1 12 12 TRP NE1 N 15 129.562 0.000 . 1 . . . . . 335 W NE1 . 26328 1
62 . 1 . 1 13 13 GLY H H 1 5.430 0.005 . 1 . . . . . 336 G HN . 26328 1
63 . 1 . 1 13 13 GLY C C 13 174.316 0.016 . 1 . . . . . 336 G C . 26328 1
64 . 1 . 1 13 13 GLY CA C 13 47.822 0.070 . 1 . . . . . 336 G CA . 26328 1
65 . 1 . 1 13 13 GLY N N 15 105.638 0.062 . 1 . . . . . 336 G N . 26328 1
66 . 1 . 1 14 14 ASP H H 1 8.528 0.004 . 1 . . . . . 337 D HN . 26328 1
67 . 1 . 1 14 14 ASP C C 13 175.695 0.006 . 1 . . . . . 337 D C . 26328 1
68 . 1 . 1 14 14 ASP CA C 13 53.744 0.049 . 1 . . . . . 337 D CA . 26328 1
69 . 1 . 1 14 14 ASP CB C 13 39.878 0.059 . 1 . . . . . 337 D CB . 26328 1
70 . 1 . 1 14 14 ASP N N 15 126.601 0.069 . 1 . . . . . 337 D N . 26328 1
71 . 1 . 1 15 15 ILE H H 1 7.221 0.003 . 1 . . . . . 338 I HN . 26328 1
72 . 1 . 1 15 15 ILE C C 13 174.131 0.006 . 1 . . . . . 338 I C . 26328 1
73 . 1 . 1 15 15 ILE CA C 13 61.074 0.056 . 1 . . . . . 338 I CA . 26328 1
74 . 1 . 1 15 15 ILE CB C 13 39.798 0.029 . 1 . . . . . 338 I CB . 26328 1
75 . 1 . 1 15 15 ILE N N 15 118.196 0.037 . 1 . . . . . 338 I N . 26328 1
76 . 1 . 1 16 16 SER H H 1 8.536 0.004 . 1 . . . . . 339 S HN . 26328 1
77 . 1 . 1 16 16 SER C C 13 175.463 0.012 . 1 . . . . . 339 S C . 26328 1
78 . 1 . 1 16 16 SER CA C 13 57.834 0.049 . 1 . . . . . 339 S CA . 26328 1
79 . 1 . 1 16 16 SER CB C 13 66.282 0.074 . 1 . . . . . 339 S CB . 26328 1
80 . 1 . 1 16 16 SER N N 15 119.781 0.041 . 1 . . . . . 339 S N . 26328 1
81 . 1 . 1 17 17 ARG H H 1 9.001 0.002 . 1 . . . . . 340 R HN . 26328 1
82 . 1 . 1 17 17 ARG C C 13 178.713 0.013 . 1 . . . . . 340 R C . 26328 1
83 . 1 . 1 17 17 ARG CA C 13 59.820 0.041 . 1 . . . . . 340 R CA . 26328 1
84 . 1 . 1 17 17 ARG CB C 13 30.255 0.078 . 1 . . . . . 340 R CB . 26328 1
85 . 1 . 1 17 17 ARG N N 15 120.217 0.044 . 1 . . . . . 340 R N . 26328 1
86 . 1 . 1 18 18 GLU H H 1 8.806 0.003 . 1 . . . . . 341 E HN . 26328 1
87 . 1 . 1 18 18 GLU C C 13 179.302 0.005 . 1 . . . . . 341 E C . 26328 1
88 . 1 . 1 18 18 GLU CA C 13 60.577 0.052 . 1 . . . . . 341 E CA . 26328 1
89 . 1 . 1 18 18 GLU CB C 13 28.666 0.052 . 1 . . . . . 341 E CB . 26328 1
90 . 1 . 1 18 18 GLU N N 15 119.139 0.038 . 1 . . . . . 341 E N . 26328 1
91 . 1 . 1 19 19 GLU H H 1 7.854 0.004 . 1 . . . . . 342 E HN . 26328 1
92 . 1 . 1 19 19 GLU C C 13 179.600 0.019 . 1 . . . . . 342 E C . 26328 1
93 . 1 . 1 19 19 GLU CA C 13 59.361 0.059 . 1 . . . . . 342 E CA . 26328 1
94 . 1 . 1 19 19 GLU CB C 13 29.611 0.109 . 1 . . . . . 342 E CB . 26328 1
95 . 1 . 1 19 19 GLU N N 15 121.654 0.048 . 1 . . . . . 342 E N . 26328 1
96 . 1 . 1 20 20 VAL H H 1 8.013 0.002 . 1 . . . . . 343 V HN . 26328 1
97 . 1 . 1 20 20 VAL C C 13 177.108 0.028 . 1 . . . . . 343 V C . 26328 1
98 . 1 . 1 20 20 VAL CA C 13 67.419 0.049 . 1 . . . . . 343 V CA . 26328 1
99 . 1 . 1 20 20 VAL CB C 13 30.956 0.051 . 1 . . . . . 343 V CB . 26328 1
100 . 1 . 1 20 20 VAL N N 15 119.978 0.030 . 1 . . . . . 343 V N . 26328 1
101 . 1 . 1 21 21 ASN H H 1 7.849 0.002 . 1 . . . . . 344 N HN . 26328 1
102 . 1 . 1 21 21 ASN C C 13 178.447 0.010 . 1 . . . . . 344 N C . 26328 1
103 . 1 . 1 21 21 ASN CA C 13 55.849 0.054 . 1 . . . . . 344 N CA . 26328 1
104 . 1 . 1 21 21 ASN CB C 13 37.417 0.067 . 1 . . . . . 344 N CB . 26328 1
105 . 1 . 1 21 21 ASN N N 15 116.620 0.055 . 1 . . . . . 344 N N . 26328 1
106 . 1 . 1 22 22 GLU H H 1 7.533 0.003 . 1 . . . . . 345 E HN . 26328 1
107 . 1 . 1 22 22 GLU C C 13 178.575 0.038 . 1 . . . . . 345 E C . 26328 1
108 . 1 . 1 22 22 GLU CA C 13 58.943 0.082 . 1 . . . . . 345 E CA . 26328 1
109 . 1 . 1 22 22 GLU CB C 13 29.223 0.074 . 1 . . . . . 345 E CB . 26328 1
110 . 1 . 1 22 22 GLU N N 15 119.140 0.039 . 1 . . . . . 345 E N . 26328 1
111 . 1 . 1 23 23 LYS H H 1 7.652 0.003 . 1 . . . . . 346 K HN . 26328 1
112 . 1 . 1 23 23 LYS C C 13 177.470 0.022 . 1 . . . . . 346 K C . 26328 1
113 . 1 . 1 23 23 LYS CA C 13 58.269 0.057 . 1 . . . . . 346 K CA . 26328 1
114 . 1 . 1 23 23 LYS CB C 13 32.415 0.057 . 1 . . . . . 346 K CB . 26328 1
115 . 1 . 1 23 23 LYS N N 15 118.079 0.031 . 1 . . . . . 346 K N . 26328 1
116 . 1 . 1 24 24 LEU H H 1 7.449 0.001 . 1 . . . . . 347 L HN . 26328 1
117 . 1 . 1 24 24 LEU C C 13 178.238 0.018 . 1 . . . . . 347 L C . 26328 1
118 . 1 . 1 24 24 LEU CA C 13 54.392 0.066 . 1 . . . . . 347 L CA . 26328 1
119 . 1 . 1 24 24 LEU CB C 13 42.114 0.047 . 1 . . . . . 347 L CB . 26328 1
120 . 1 . 1 24 24 LEU N N 15 114.773 0.031 . 1 . . . . . 347 L N . 26328 1
121 . 1 . 1 25 25 ARG H H 1 7.173 0.002 . 1 . . . . . 348 R HN . 26328 1
122 . 1 . 1 25 25 ARG C C 13 176.195 0.005 . 1 . . . . . 348 R C . 26328 1
123 . 1 . 1 25 25 ARG CA C 13 58.718 0.091 . 1 . . . . . 348 R CA . 26328 1
124 . 1 . 1 25 25 ARG CB C 13 30.007 0.087 . 1 . . . . . 348 R CB . 26328 1
125 . 1 . 1 25 25 ARG N N 15 124.368 0.044 . 1 . . . . . 348 R N . 26328 1
126 . 1 . 1 26 26 ASP H H 1 8.057 0.004 . 1 . . . . . 349 D HN . 26328 1
127 . 1 . 1 26 26 ASP C C 13 175.449 0.034 . 1 . . . . . 349 D C . 26328 1
128 . 1 . 1 26 26 ASP CA C 13 56.386 0.090 . 1 . . . . . 349 D CA . 26328 1
129 . 1 . 1 26 26 ASP CB C 13 39.477 0.049 . 1 . . . . . 349 D CB . 26328 1
130 . 1 . 1 26 26 ASP N N 15 119.285 0.038 . 1 . . . . . 349 D N . 26328 1
131 . 1 . 1 27 27 THR H H 1 7.425 0.002 . 1 . . . . . 350 T HN . 26328 1
132 . 1 . 1 27 27 THR C C 13 176.206 0.004 . 1 . . . . . 350 T C . 26328 1
133 . 1 . 1 27 27 THR CA C 13 61.710 0.022 . 1 . . . . . 350 T CA . 26328 1
134 . 1 . 1 27 27 THR CB C 13 72.223 0.076 . 1 . . . . . 350 T CB . 26328 1
135 . 1 . 1 27 27 THR N N 15 108.135 0.047 . 1 . . . . . 350 T N . 26328 1
136 . 1 . 1 28 28 ALA H H 1 8.297 0.004 . 1 . . . . . 351 A HN . 26328 1
137 . 1 . 1 28 28 ALA C C 13 178.763 0.010 . 1 . . . . . 351 A C . 26328 1
138 . 1 . 1 28 28 ALA CA C 13 51.636 0.078 . 1 . . . . . 351 A CA . 26328 1
139 . 1 . 1 28 28 ALA CB C 13 20.258 0.098 . 1 . . . . . 351 A CB . 26328 1
140 . 1 . 1 28 28 ALA N N 15 122.138 0.048 . 1 . . . . . 351 A N . 26328 1
141 . 1 . 1 29 29 ASP H H 1 9.034 0.003 . 1 . . . . . 352 D HN . 26328 1
142 . 1 . 1 29 29 ASP C C 13 177.267 0.011 . 1 . . . . . 352 D C . 26328 1
143 . 1 . 1 29 29 ASP CA C 13 55.582 0.058 . 1 . . . . . 352 D CA . 26328 1
144 . 1 . 1 29 29 ASP CB C 13 40.160 0.066 . 1 . . . . . 352 D CB . 26328 1
145 . 1 . 1 29 29 ASP N N 15 122.620 0.042 . 1 . . . . . 352 D N . 26328 1
146 . 1 . 1 30 30 GLY H H 1 9.229 0.002 . 1 . . . . . 353 G HN . 26328 1
147 . 1 . 1 30 30 GLY C C 13 175.262 0.045 . 1 . . . . . 353 G C . 26328 1
148 . 1 . 1 30 30 GLY CA C 13 45.225 0.047 . 1 . . . . . 353 G CA . 26328 1
149 . 1 . 1 30 30 GLY N N 15 107.525 0.038 . 1 . . . . . 353 G N . 26328 1
150 . 1 . 1 31 31 THR H H 1 8.104 0.004 . 1 . . . . . 354 T HN . 26328 1
151 . 1 . 1 31 31 THR C C 13 174.456 0.006 . 1 . . . . . 354 T C . 26328 1
152 . 1 . 1 31 31 THR CA C 13 63.791 0.050 . 1 . . . . . 354 T CA . 26328 1
153 . 1 . 1 31 31 THR CB C 13 68.756 0.057 . 1 . . . . . 354 T CB . 26328 1
154 . 1 . 1 31 31 THR N N 15 122.556 0.045 . 1 . . . . . 354 T N . 26328 1
155 . 1 . 1 32 32 PHE H H 1 8.534 0.002 . 1 . . . . . 355 F HN . 26328 1
156 . 1 . 1 32 32 PHE C C 13 171.593 0.012 . 1 . . . . . 355 F C . 26328 1
157 . 1 . 1 32 32 PHE CA C 13 56.457 0.038 . 1 . . . . . 355 F CA . 26328 1
158 . 1 . 1 32 32 PHE CB C 13 44.180 0.056 . 1 . . . . . 355 F CB . 26328 1
159 . 1 . 1 32 32 PHE N N 15 122.106 0.044 . 1 . . . . . 355 F N . 26328 1
160 . 1 . 1 33 33 LEU H H 1 8.603 0.002 . 1 . . . . . 356 L HN . 26328 1
161 . 1 . 1 33 33 LEU C C 13 175.415 0.020 . 1 . . . . . 356 L C . 26328 1
162 . 1 . 1 33 33 LEU CA C 13 55.666 0.044 . 1 . . . . . 356 L CA . 26328 1
163 . 1 . 1 33 33 LEU CB C 13 44.658 0.097 . 1 . . . . . 356 L CB . 26328 1
164 . 1 . 1 33 33 LEU N N 15 113.046 0.036 . 1 . . . . . 356 L N . 26328 1
165 . 1 . 1 34 34 VAL H H 1 9.606 0.003 . 1 . . . . . 357 V HN . 26328 1
166 . 1 . 1 34 34 VAL C C 13 172.817 0.002 . 1 . . . . . 357 V C . 26328 1
167 . 1 . 1 34 34 VAL CA C 13 61.863 0.050 . 1 . . . . . 357 V CA . 26328 1
168 . 1 . 1 34 34 VAL CB C 13 35.321 0.071 . 1 . . . . . 357 V CB . 26328 1
169 . 1 . 1 34 34 VAL N N 15 122.138 0.047 . 1 . . . . . 357 V N . 26328 1
170 . 1 . 1 35 35 ARG H H 1 8.865 0.003 . 1 . . . . . 358 R HN . 26328 1
171 . 1 . 1 35 35 ARG C C 13 174.465 0.007 . 1 . . . . . 358 R C . 26328 1
172 . 1 . 1 35 35 ARG CA C 13 53.354 0.073 . 1 . . . . . 358 R CA . 26328 1
173 . 1 . 1 35 35 ARG CB C 13 34.512 0.040 . 1 . . . . . 358 R CB . 26328 1
174 . 1 . 1 35 35 ARG N N 15 123.647 0.042 . 1 . . . . . 358 R N . 26328 1
175 . 1 . 1 36 36 ASP H H 1 8.967 0.002 . 1 . . . . . 359 D HN . 26328 1
176 . 1 . 1 36 36 ASP C C 13 176.596 0.008 . 1 . . . . . 359 D C . 26328 1
177 . 1 . 1 36 36 ASP CA C 13 55.725 0.052 . 1 . . . . . 359 D CA . 26328 1
178 . 1 . 1 36 36 ASP CB C 13 40.494 0.067 . 1 . . . . . 359 D CB . 26328 1
179 . 1 . 1 36 36 ASP N N 15 123.525 0.034 . 1 . . . . . 359 D N . 26328 1
180 . 1 . 1 37 37 ALA H H 1 7.827 0.014 . 1 . . . . . 360 A HN . 26328 1
181 . 1 . 1 37 37 ALA C C 13 178.865 0.000 . 1 . . . . . 360 A C . 26328 1
182 . 1 . 1 37 37 ALA CA C 13 52.131 0.036 . 1 . . . . . 360 A CA . 26328 1
183 . 1 . 1 37 37 ALA CB C 13 20.389 0.000 . 1 . . . . . 360 A CB . 26328 1
184 . 1 . 1 37 37 ALA N N 15 124.450 0.063 . 1 . . . . . 360 A N . 26328 1
185 . 1 . 1 38 38 SER C C 13 175.371 0.038 . 1 . . . . . 361 S C . 26328 1
186 . 1 . 1 38 38 SER CA C 13 60.435 0.061 . 1 . . . . . 361 S CA . 26328 1
187 . 1 . 1 38 38 SER CB C 13 63.105 0.072 . 1 . . . . . 361 S CB . 26328 1
188 . 1 . 1 39 39 THR H H 1 7.443 0.007 . 1 . . . . . 362 T HN . 26328 1
189 . 1 . 1 39 39 THR C C 13 175.139 0.000 . 1 . . . . . 362 T C . 26328 1
190 . 1 . 1 39 39 THR CA C 13 61.347 0.045 . 1 . . . . . 362 T CA . 26328 1
191 . 1 . 1 39 39 THR CB C 13 68.601 0.082 . 1 . . . . . 362 T CB . 26328 1
192 . 1 . 1 39 39 THR N N 15 112.345 0.071 . 1 . . . . . 362 T N . 26328 1
193 . 1 . 1 40 40 LYS H H 1 8.076 0.007 . 1 . . . . . 363 K HN . 26328 1
194 . 1 . 1 40 40 LYS C C 13 177.456 0.014 . 1 . . . . . 363 K C . 26328 1
195 . 1 . 1 40 40 LYS CA C 13 57.636 0.064 . 1 . . . . . 363 K CA . 26328 1
196 . 1 . 1 40 40 LYS CB C 13 31.631 0.061 . 1 . . . . . 363 K CB . 26328 1
197 . 1 . 1 40 40 LYS N N 15 120.763 0.048 . 1 . . . . . 363 K N . 26328 1
198 . 1 . 1 41 41 MET H H 1 8.115 0.006 . 1 . . . . . 364 M HN . 26328 1
199 . 1 . 1 41 41 MET C C 13 176.423 0.015 . 1 . . . . . 364 M C . 26328 1
200 . 1 . 1 41 41 MET CA C 13 56.474 0.033 . 1 . . . . . 364 M CA . 26328 1
201 . 1 . 1 41 41 MET CB C 13 32.209 0.005 . 1 . . . . . 364 M CB . 26328 1
202 . 1 . 1 41 41 MET N N 15 118.571 0.033 . 1 . . . . . 364 M N . 26328 1
203 . 1 . 1 42 42 HIS H H 1 8.368 0.011 . 1 . . . . . 365 H HN . 26328 1
204 . 1 . 1 42 42 HIS C C 13 175.263 0.021 . 1 . . . . . 365 H C . 26328 1
205 . 1 . 1 42 42 HIS CA C 13 55.829 0.041 . 1 . . . . . 365 H CA . 26328 1
206 . 1 . 1 42 42 HIS CB C 13 29.834 0.095 . 1 . . . . . 365 H CB . 26328 1
207 . 1 . 1 42 42 HIS N N 15 119.501 0.037 . 1 . . . . . 365 H N . 26328 1
208 . 1 . 1 43 43 GLY H H 1 8.171 0.016 . 1 . . . . . 366 G HN . 26328 1
209 . 1 . 1 43 43 GLY C C 13 172.020 0.010 . 1 . . . . . 366 G C . 26328 1
210 . 1 . 1 43 43 GLY CA C 13 45.537 0.049 . 1 . . . . . 366 G CA . 26328 1
211 . 1 . 1 43 43 GLY N N 15 110.196 0.080 . 1 . . . . . 366 G N . 26328 1
212 . 1 . 1 44 44 ASP H H 1 7.407 0.016 . 1 . . . . . 367 D HN . 26328 1
213 . 1 . 1 44 44 ASP C C 13 175.830 0.007 . 1 . . . . . 367 D C . 26328 1
214 . 1 . 1 44 44 ASP CA C 13 53.889 0.057 . 1 . . . . . 367 D CA . 26328 1
215 . 1 . 1 44 44 ASP CB C 13 42.469 0.026 . 1 . . . . . 367 D CB . 26328 1
216 . 1 . 1 44 44 ASP N N 15 117.954 0.065 . 1 . . . . . 367 D N . 26328 1
217 . 1 . 1 45 45 TYR H H 1 8.641 0.003 . 1 . . . . . 368 Y HN . 26328 1
218 . 1 . 1 45 45 TYR C C 13 174.089 0.004 . 1 . . . . . 368 Y C . 26328 1
219 . 1 . 1 45 45 TYR CA C 13 57.322 0.062 . 1 . . . . . 368 Y CA . 26328 1
220 . 1 . 1 45 45 TYR CB C 13 43.299 0.035 . 1 . . . . . 368 Y CB . 26328 1
221 . 1 . 1 45 45 TYR N N 15 118.388 0.074 . 1 . . . . . 368 Y N . 26328 1
222 . 1 . 1 46 46 THR H H 1 9.446 0.002 . 1 . . . . . 369 T HN . 26328 1
223 . 1 . 1 46 46 THR C C 13 173.963 0.033 . 1 . . . . . 369 T C . 26328 1
224 . 1 . 1 46 46 THR CA C 13 62.602 0.052 . 1 . . . . . 369 T CA . 26328 1
225 . 1 . 1 46 46 THR CB C 13 71.470 0.036 . 1 . . . . . 369 T CB . 26328 1
226 . 1 . 1 46 46 THR N N 15 116.744 0.039 . 1 . . . . . 369 T N . 26328 1
227 . 1 . 1 47 47 LEU H H 1 9.412 0.003 . 1 . . . . . 370 L HN . 26328 1
228 . 1 . 1 47 47 LEU C C 13 174.562 0.013 . 1 . . . . . 370 L C . 26328 1
229 . 1 . 1 47 47 LEU CA C 13 54.279 0.048 . 1 . . . . . 370 L CA . 26328 1
230 . 1 . 1 47 47 LEU CB C 13 43.534 0.042 . 1 . . . . . 370 L CB . 26328 1
231 . 1 . 1 47 47 LEU N N 15 132.401 0.038 . 1 . . . . . 370 L N . 26328 1
232 . 1 . 1 48 48 THR H H 1 9.034 0.003 . 1 . . . . . 371 T HN . 26328 1
233 . 1 . 1 48 48 THR C C 13 171.617 0.023 . 1 . . . . . 371 T C . 26328 1
234 . 1 . 1 48 48 THR CA C 13 61.813 0.057 . 1 . . . . . 371 T CA . 26328 1
235 . 1 . 1 48 48 THR CB C 13 69.409 0.015 . 1 . . . . . 371 T CB . 26328 1
236 . 1 . 1 48 48 THR N N 15 123.018 0.049 . 1 . . . . . 371 T N . 26328 1
237 . 1 . 1 49 49 LEU H H 1 9.078 0.002 . 1 . . . . . 372 L HN . 26328 1
238 . 1 . 1 49 49 LEU C C 13 174.123 0.019 . 1 . . . . . 372 L C . 26328 1
239 . 1 . 1 49 49 LEU CA C 13 52.509 0.043 . 1 . . . . . 372 L CA . 26328 1
240 . 1 . 1 49 49 LEU CB C 13 47.468 0.064 . 1 . . . . . 372 L CB . 26328 1
241 . 1 . 1 49 49 LEU N N 15 126.687 0.063 . 1 . . . . . 372 L N . 26328 1
242 . 1 . 1 50 50 ARG H H 1 8.943 0.003 . 1 . . . . . 373 R HN . 26328 1
243 . 1 . 1 50 50 ARG C C 13 175.626 0.012 . 1 . . . . . 373 R C . 26328 1
244 . 1 . 1 50 50 ARG CA C 13 53.942 0.041 . 1 . . . . . 373 R CA . 26328 1
245 . 1 . 1 50 50 ARG CB C 13 33.310 0.068 . 1 . . . . . 373 R CB . 26328 1
246 . 1 . 1 50 50 ARG N N 15 126.593 0.071 . 1 . . . . . 373 R N . 26328 1
247 . 1 . 1 51 51 LYS H H 1 9.027 0.002 . 1 . . . . . 374 K HN . 26328 1
248 . 1 . 1 51 51 LYS C C 13 176.652 0.008 . 1 . . . . . 374 K C . 26328 1
249 . 1 . 1 51 51 LYS CA C 13 56.149 0.044 . 1 . . . . . 374 K CA . 26328 1
250 . 1 . 1 51 51 LYS CB C 13 34.725 0.083 . 1 . . . . . 374 K CB . 26328 1
251 . 1 . 1 51 51 LYS N N 15 127.019 0.045 . 1 . . . . . 374 K N . 26328 1
252 . 1 . 1 52 52 GLY H H 1 10.456 0.004 . 1 . . . . . 375 G HN . 26328 1
253 . 1 . 1 52 52 GLY C C 13 176.302 0.025 . 1 . . . . . 375 G C . 26328 1
254 . 1 . 1 52 52 GLY CA C 13 46.995 0.044 . 1 . . . . . 375 G CA . 26328 1
255 . 1 . 1 52 52 GLY N N 15 121.200 0.046 . 1 . . . . . 375 G N . 26328 1
256 . 1 . 1 53 53 GLY H H 1 8.866 0.003 . 1 . . . . . 376 G HN . 26328 1
257 . 1 . 1 53 53 GLY C C 13 172.288 0.024 . 1 . . . . . 376 G C . 26328 1
258 . 1 . 1 53 53 GLY CA C 13 45.295 0.044 . 1 . . . . . 376 G CA . 26328 1
259 . 1 . 1 53 53 GLY N N 15 105.605 0.034 . 1 . . . . . 376 G N . 26328 1
260 . 1 . 1 54 54 ASN H H 1 7.433 0.002 . 1 . . . . . 377 N HN . 26328 1
261 . 1 . 1 54 54 ASN C C 13 172.465 0.048 . 1 . . . . . 377 N C . 26328 1
262 . 1 . 1 54 54 ASN CA C 13 51.437 0.061 . 1 . . . . . 377 N CA . 26328 1
263 . 1 . 1 54 54 ASN CB C 13 42.941 0.070 . 1 . . . . . 377 N CB . 26328 1
264 . 1 . 1 54 54 ASN N N 15 115.793 0.032 . 1 . . . . . 377 N N . 26328 1
265 . 1 . 1 55 55 ASN H H 1 8.691 0.004 . 1 . . . . . 378 N HN . 26328 1
266 . 1 . 1 55 55 ASN C C 13 174.622 0.006 . 1 . . . . . 378 N C . 26328 1
267 . 1 . 1 55 55 ASN CA C 13 52.059 0.065 . 1 . . . . . 378 N CA . 26328 1
268 . 1 . 1 55 55 ASN CB C 13 37.964 0.046 . 1 . . . . . 378 N CB . 26328 1
269 . 1 . 1 55 55 ASN N N 15 119.417 0.035 . 1 . . . . . 378 N N . 26328 1
270 . 1 . 1 56 56 LYS H H 1 9.569 0.002 . 1 . . . . . 379 K HN . 26328 1
271 . 1 . 1 56 56 LYS C C 13 174.445 0.039 . 1 . . . . . 379 K C . 26328 1
272 . 1 . 1 56 56 LYS CA C 13 53.728 0.064 . 1 . . . . . 379 K CA . 26328 1
273 . 1 . 1 56 56 LYS CB C 13 32.357 0.062 . 1 . . . . . 379 K CB . 26328 1
274 . 1 . 1 56 56 LYS N N 15 125.395 0.071 . 1 . . . . . 379 K N . 26328 1
275 . 1 . 1 57 57 LEU H H 1 8.553 0.003 . 1 . . . . . 380 L HN . 26328 1
276 . 1 . 1 57 57 LEU C C 13 176.671 0.013 . 1 . . . . . 380 L C . 26328 1
277 . 1 . 1 57 57 LEU CA C 13 55.443 0.066 . 1 . . . . . 380 L CA . 26328 1
278 . 1 . 1 57 57 LEU CB C 13 42.533 0.087 . 1 . . . . . 380 L CB . 26328 1
279 . 1 . 1 57 57 LEU N N 15 125.836 0.052 . 1 . . . . . 380 L N . 26328 1
280 . 1 . 1 58 58 ILE H H 1 9.412 0.004 . 1 . . . . . 381 I HN . 26328 1
281 . 1 . 1 58 58 ILE C C 13 174.693 0.017 . 1 . . . . . 381 I C . 26328 1
282 . 1 . 1 58 58 ILE CA C 13 60.751 0.053 . 1 . . . . . 381 I CA . 26328 1
283 . 1 . 1 58 58 ILE CB C 13 40.719 0.036 . 1 . . . . . 381 I CB . 26328 1
284 . 1 . 1 58 58 ILE N N 15 126.204 0.069 . 1 . . . . . 381 I N . 26328 1
285 . 1 . 1 59 59 LYS H H 1 8.445 0.003 . 1 . . . . . 382 K HN . 26328 1
286 . 1 . 1 59 59 LYS C C 13 175.356 0.017 . 1 . . . . . 382 K C . 26328 1
287 . 1 . 1 59 59 LYS CA C 13 57.541 0.055 . 1 . . . . . 382 K CA . 26328 1
288 . 1 . 1 59 59 LYS CB C 13 32.637 0.055 . 1 . . . . . 382 K CB . 26328 1
289 . 1 . 1 59 59 LYS N N 15 128.666 0.039 . 1 . . . . . 382 K N . 26328 1
290 . 1 . 1 60 60 ILE H H 1 8.425 0.008 . 1 . . . . . 383 I HN . 26328 1
291 . 1 . 1 60 60 ILE C C 13 175.313 0.018 . 1 . . . . . 383 I C . 26328 1
292 . 1 . 1 60 60 ILE CA C 13 61.104 0.052 . 1 . . . . . 383 I CA . 26328 1
293 . 1 . 1 60 60 ILE CB C 13 39.117 0.053 . 1 . . . . . 383 I CB . 26328 1
294 . 1 . 1 60 60 ILE N N 15 122.443 0.060 . 1 . . . . . 383 I N . 26328 1
295 . 1 . 1 61 61 PHE H H 1 8.903 0.003 . 1 . . . . . 384 F HN . 26328 1
296 . 1 . 1 61 61 PHE C C 13 174.419 0.005 . 1 . . . . . 384 F C . 26328 1
297 . 1 . 1 61 61 PHE CA C 13 58.373 0.060 . 1 . . . . . 384 F CA . 26328 1
298 . 1 . 1 61 61 PHE CB C 13 41.896 0.043 . 1 . . . . . 384 F CB . 26328 1
299 . 1 . 1 61 61 PHE N N 15 126.928 0.072 . 1 . . . . . 384 F N . 26328 1
300 . 1 . 1 62 62 HIS H H 1 8.504 0.007 . 1 . . . . . 385 H HN . 26328 1
301 . 1 . 1 62 62 HIS C C 13 174.889 0.016 . 1 . . . . . 385 H C . 26328 1
302 . 1 . 1 62 62 HIS CA C 13 53.398 0.068 . 1 . . . . . 385 H CA . 26328 1
303 . 1 . 1 62 62 HIS CB C 13 32.545 0.089 . 1 . . . . . 385 H CB . 26328 1
304 . 1 . 1 62 62 HIS N N 15 117.933 0.049 . 1 . . . . . 385 H N . 26328 1
305 . 1 . 1 63 63 ARG H H 1 8.211 0.004 . 1 . . . . . 386 R HN . 26328 1
306 . 1 . 1 63 63 ARG C C 13 175.491 0.007 . 1 . . . . . 386 R C . 26328 1
307 . 1 . 1 63 63 ARG CA C 13 56.670 0.049 . 1 . . . . . 386 R CA . 26328 1
308 . 1 . 1 63 63 ARG CB C 13 33.549 0.074 . 1 . . . . . 386 R CB . 26328 1
309 . 1 . 1 63 63 ARG N N 15 126.329 0.073 . 1 . . . . . 386 R N . 26328 1
310 . 1 . 1 64 64 ASP H H 1 9.193 0.006 . 1 . . . . . 387 D HN . 26328 1
311 . 1 . 1 64 64 ASP C C 13 175.304 0.013 . 1 . . . . . 387 D C . 26328 1
312 . 1 . 1 64 64 ASP CA C 13 55.401 0.081 . 1 . . . . . 387 D CA . 26328 1
313 . 1 . 1 64 64 ASP CB C 13 39.973 0.057 . 1 . . . . . 387 D CB . 26328 1
314 . 1 . 1 64 64 ASP N N 15 126.236 0.060 . 1 . . . . . 387 D N . 26328 1
315 . 1 . 1 65 65 GLY H H 1 8.550 0.001 . 1 . . . . . 388 G HN . 26328 1
316 . 1 . 1 65 65 GLY C C 13 173.387 0.007 . 1 . . . . . 388 G C . 26328 1
317 . 1 . 1 65 65 GLY CA C 13 45.604 0.053 . 1 . . . . . 388 G CA . 26328 1
318 . 1 . 1 65 65 GLY N N 15 104.557 0.043 . 1 . . . . . 388 G N . 26328 1
319 . 1 . 1 66 66 LYS H H 1 7.490 0.006 . 1 . . . . . 389 K HN . 26328 1
320 . 1 . 1 66 66 LYS C C 13 174.894 0.002 . 1 . . . . . 389 K C . 26328 1
321 . 1 . 1 66 66 LYS CA C 13 53.338 0.068 . 1 . . . . . 389 K CA . 26328 1
322 . 1 . 1 66 66 LYS CB C 13 36.488 0.052 . 1 . . . . . 389 K CB . 26328 1
323 . 1 . 1 66 66 LYS N N 15 118.753 0.061 . 1 . . . . . 389 K N . 26328 1
324 . 1 . 1 67 67 TYR H H 1 9.214 0.007 . 1 . . . . . 390 Y HN . 26328 1
325 . 1 . 1 67 67 TYR C C 13 176.227 0.005 . 1 . . . . . 390 Y C . 26328 1
326 . 1 . 1 67 67 TYR CA C 13 56.347 0.059 . 1 . . . . . 390 Y CA . 26328 1
327 . 1 . 1 67 67 TYR CB C 13 43.403 0.041 . 1 . . . . . 390 Y CB . 26328 1
328 . 1 . 1 67 67 TYR N N 15 116.038 0.051 . 1 . . . . . 390 Y N . 26328 1
329 . 1 . 1 68 68 GLY H H 1 8.300 0.002 . 1 . . . . . 391 G HN . 26328 1
330 . 1 . 1 68 68 GLY C C 13 171.251 0.007 . 1 . . . . . 391 G C . 26328 1
331 . 1 . 1 68 68 GLY CA C 13 45.837 0.057 . 1 . . . . . 391 G CA . 26328 1
332 . 1 . 1 68 68 GLY N N 15 104.212 0.031 . 1 . . . . . 391 G N . 26328 1
333 . 1 . 1 69 69 PHE H H 1 9.257 0.006 . 1 . . . . . 392 F HN . 26328 1
334 . 1 . 1 69 69 PHE C C 13 176.468 0.008 . 1 . . . . . 392 F C . 26328 1
335 . 1 . 1 69 69 PHE CA C 13 56.613 0.082 . 1 . . . . . 392 F CA . 26328 1
336 . 1 . 1 69 69 PHE CB C 13 39.914 0.054 . 1 . . . . . 392 F CB . 26328 1
337 . 1 . 1 69 69 PHE N N 15 118.543 0.031 . 1 . . . . . 392 F N . 26328 1
338 . 1 . 1 70 70 SER H H 1 7.712 0.002 . 1 . . . . . 393 S HN . 26328 1
339 . 1 . 1 70 70 SER C C 13 171.716 0.003 . 1 . . . . . 393 S C . 26328 1
340 . 1 . 1 70 70 SER CA C 13 56.793 0.110 . 1 . . . . . 393 S CA . 26328 1
341 . 1 . 1 70 70 SER CB C 13 64.564 0.072 . 1 . . . . . 393 S CB . 26328 1
342 . 1 . 1 70 70 SER N N 15 109.382 0.041 . 1 . . . . . 393 S N . 26328 1
343 . 1 . 1 71 71 ASP H H 1 8.249 0.003 . 1 . . . . . 394 D HN . 26328 1
344 . 1 . 1 71 71 ASP C C 13 175.214 0.000 . 1 . . . . . 394 D C . 26328 1
345 . 1 . 1 71 71 ASP CA C 13 53.876 0.042 . 1 . . . . . 394 D CA . 26328 1
346 . 1 . 1 71 71 ASP CB C 13 40.798 0.000 . 1 . . . . . 394 D CB . 26328 1
347 . 1 . 1 71 71 ASP N N 15 120.025 0.029 . 1 . . . . . 394 D N . 26328 1
348 . 1 . 1 72 72 PRO C C 13 175.156 0.005 . 1 . . . . . 395 P C . 26328 1
349 . 1 . 1 72 72 PRO CA C 13 61.820 0.047 . 1 . . . . . 395 P CA . 26328 1
350 . 1 . 1 72 72 PRO CB C 13 33.853 0.085 . 1 . . . . . 395 P CB . 26328 1
351 . 1 . 1 73 73 LEU H H 1 8.786 0.007 . 1 . . . . . 396 L HN . 26328 1
352 . 1 . 1 73 73 LEU C C 13 177.921 0.005 . 1 . . . . . 396 L C . 26328 1
353 . 1 . 1 73 73 LEU CA C 13 54.958 0.062 . 1 . . . . . 396 L CA . 26328 1
354 . 1 . 1 73 73 LEU CB C 13 40.308 0.049 . 1 . . . . . 396 L CB . 26328 1
355 . 1 . 1 73 73 LEU N N 15 124.258 0.042 . 1 . . . . . 396 L N . 26328 1
356 . 1 . 1 74 74 THR H H 1 7.914 0.002 . 1 . . . . . 397 T HN . 26328 1
357 . 1 . 1 74 74 THR C C 13 175.002 0.010 . 1 . . . . . 397 T C . 26328 1
358 . 1 . 1 74 74 THR CA C 13 62.196 0.061 . 1 . . . . . 397 T CA . 26328 1
359 . 1 . 1 74 74 THR CB C 13 70.542 0.080 . 1 . . . . . 397 T CB . 26328 1
360 . 1 . 1 74 74 THR N N 15 111.237 0.071 . 1 . . . . . 397 T N . 26328 1
361 . 1 . 1 75 75 PHE H H 1 8.755 0.003 . 1 . . . . . 398 F HN . 26328 1
362 . 1 . 1 75 75 PHE C C 13 177.091 0.017 . 1 . . . . . 398 F C . 26328 1
363 . 1 . 1 75 75 PHE CA C 13 58.824 0.049 . 1 . . . . . 398 F CA . 26328 1
364 . 1 . 1 75 75 PHE CB C 13 40.597 0.064 . 1 . . . . . 398 F CB . 26328 1
365 . 1 . 1 75 75 PHE N N 15 121.487 0.039 . 1 . . . . . 398 F N . 26328 1
366 . 1 . 1 76 76 SER H H 1 9.677 0.003 . 1 . . . . . 399 S HN . 26328 1
367 . 1 . 1 76 76 SER C C 13 172.996 0.000 . 1 . . . . . 399 S C . 26328 1
368 . 1 . 1 76 76 SER CA C 13 60.258 0.051 . 1 . . . . . 399 S CA . 26328 1
369 . 1 . 1 76 76 SER CB C 13 64.108 0.031 . 1 . . . . . 399 S CB . 26328 1
370 . 1 . 1 76 76 SER N N 15 117.461 0.043 . 1 . . . . . 399 S N . 26328 1
371 . 1 . 1 77 77 SER H H 1 7.545 0.002 . 1 . . . . . 400 S HN . 26328 1
372 . 1 . 1 77 77 SER C C 13 173.522 0.014 . 1 . . . . . 400 S C . 26328 1
373 . 1 . 1 77 77 SER CA C 13 57.220 0.059 . 1 . . . . . 400 S CA . 26328 1
374 . 1 . 1 77 77 SER CB C 13 65.543 0.087 . 1 . . . . . 400 S CB . 26328 1
375 . 1 . 1 77 77 SER N N 15 110.450 0.037 . 1 . . . . . 400 S N . 26328 1
376 . 1 . 1 78 78 VAL H H 1 8.169 0.002 . 1 . . . . . 401 V HN . 26328 1
377 . 1 . 1 78 78 VAL C C 13 176.951 0.070 . 1 . . . . . 401 V C . 26328 1
378 . 1 . 1 78 78 VAL CA C 13 66.067 0.067 . 1 . . . . . 401 V CA . 26328 1
379 . 1 . 1 78 78 VAL CB C 13 31.419 0.085 . 1 . . . . . 401 V CB . 26328 1
380 . 1 . 1 78 78 VAL N N 15 121.631 0.036 . 1 . . . . . 401 V N . 26328 1
381 . 1 . 1 79 79 VAL H H 1 7.947 0.006 . 1 . . . . . 402 V HN . 26328 1
382 . 1 . 1 79 79 VAL C C 13 176.827 0.000 . 1 . . . . . 402 V C . 26328 1
383 . 1 . 1 79 79 VAL CA C 13 67.215 0.034 . 1 . . . . . 402 V CA . 26328 1
384 . 1 . 1 79 79 VAL CB C 13 32.036 0.094 . 1 . . . . . 402 V CB . 26328 1
385 . 1 . 1 79 79 VAL N N 15 118.961 0.045 . 1 . . . . . 402 V N . 26328 1
386 . 1 . 1 80 80 GLU H H 1 7.859 0.003 . 1 . . . . . 403 E HN . 26328 1
387 . 1 . 1 80 80 GLU C C 13 178.613 0.004 . 1 . . . . . 403 E C . 26328 1
388 . 1 . 1 80 80 GLU CA C 13 59.732 0.028 . 1 . . . . . 403 E CA . 26328 1
389 . 1 . 1 80 80 GLU CB C 13 30.901 0.079 . 1 . . . . . 403 E CB . 26328 1
390 . 1 . 1 80 80 GLU N N 15 118.594 0.036 . 1 . . . . . 403 E N . 26328 1
391 . 1 . 1 81 81 LEU H H 1 7.010 0.003 . 1 . . . . . 404 L HN . 26328 1
392 . 1 . 1 81 81 LEU C C 13 176.717 0.007 . 1 . . . . . 404 L C . 26328 1
393 . 1 . 1 81 81 LEU CA C 13 58.291 0.062 . 1 . . . . . 404 L CA . 26328 1
394 . 1 . 1 81 81 LEU CB C 13 42.142 0.042 . 1 . . . . . 404 L CB . 26328 1
395 . 1 . 1 81 81 LEU N N 15 121.448 0.045 . 1 . . . . . 404 L N . 26328 1
396 . 1 . 1 82 82 ILE H H 1 8.064 0.003 . 1 . . . . . 405 I HN . 26328 1
397 . 1 . 1 82 82 ILE C C 13 178.280 0.008 . 1 . . . . . 405 I C . 26328 1
398 . 1 . 1 82 82 ILE CA C 13 61.070 0.059 . 1 . . . . . 405 I CA . 26328 1
399 . 1 . 1 82 82 ILE CB C 13 34.667 0.054 . 1 . . . . . 405 I CB . 26328 1
400 . 1 . 1 82 82 ILE N N 15 119.126 0.061 . 1 . . . . . 405 I N . 26328 1
401 . 1 . 1 83 83 ASN H H 1 8.610 0.006 . 1 . . . . . 406 N HN . 26328 1
402 . 1 . 1 83 83 ASN C C 13 178.816 0.054 . 1 . . . . . 406 N C . 26328 1
403 . 1 . 1 83 83 ASN CA C 13 55.768 0.054 . 1 . . . . . 406 N CA . 26328 1
404 . 1 . 1 83 83 ASN CB C 13 37.145 0.081 . 1 . . . . . 406 N CB . 26328 1
405 . 1 . 1 83 83 ASN N N 15 116.245 0.049 . 1 . . . . . 406 N N . 26328 1
406 . 1 . 1 84 84 HIS H H 1 7.922 0.002 . 1 . . . . . 407 H HN . 26328 1
407 . 1 . 1 84 84 HIS C C 13 177.469 0.014 . 1 . . . . . 407 H C . 26328 1
408 . 1 . 1 84 84 HIS CA C 13 60.186 0.063 . 1 . . . . . 407 H CA . 26328 1
409 . 1 . 1 84 84 HIS CB C 13 29.388 0.126 . 1 . . . . . 407 H CB . 26328 1
410 . 1 . 1 84 84 HIS N N 15 119.793 0.073 . 1 . . . . . 407 H N . 26328 1
411 . 1 . 1 85 85 TYR H H 1 7.289 0.003 . 1 . . . . . 408 Y HN . 26328 1
412 . 1 . 1 85 85 TYR C C 13 174.667 0.007 . 1 . . . . . 408 Y C . 26328 1
413 . 1 . 1 85 85 TYR CA C 13 60.901 0.039 . 1 . . . . . 408 Y CA . 26328 1
414 . 1 . 1 85 85 TYR CB C 13 37.354 0.000 . 1 . . . . . 408 Y CB . 26328 1
415 . 1 . 1 85 85 TYR N N 15 115.940 0.037 . 1 . . . . . 408 Y N . 26328 1
416 . 1 . 1 86 86 ARG H H 1 7.568 0.008 . 1 . . . . . 409 R HN . 26328 1
417 . 1 . 1 86 86 ARG C C 13 177.187 0.053 . 1 . . . . . 409 R C . 26328 1
418 . 1 . 1 86 86 ARG CA C 13 57.825 0.054 . 1 . . . . . 409 R CA . 26328 1
419 . 1 . 1 86 86 ARG CB C 13 30.058 0.084 . 1 . . . . . 409 R CB . 26328 1
420 . 1 . 1 86 86 ARG N N 15 117.687 0.038 . 1 . . . . . 409 R N . 26328 1
421 . 1 . 1 87 87 ASN H H 1 7.109 0.004 . 1 . . . . . 410 N HN . 26328 1
422 . 1 . 1 87 87 ASN C C 13 174.238 0.034 . 1 . . . . . 410 N C . 26328 1
423 . 1 . 1 87 87 ASN CA C 13 53.509 0.012 . 1 . . . . . 410 N CA . 26328 1
424 . 1 . 1 87 87 ASN CB C 13 40.956 0.089 . 1 . . . . . 410 N CB . 26328 1
425 . 1 . 1 87 87 ASN N N 15 113.175 0.027 . 1 . . . . . 410 N N . 26328 1
426 . 1 . 1 88 88 GLU H H 1 7.583 0.007 . 1 . . . . . 411 E HN . 26328 1
427 . 1 . 1 88 88 GLU C C 13 173.500 0.009 . 1 . . . . . 411 E C . 26328 1
428 . 1 . 1 88 88 GLU CA C 13 54.904 0.093 . 1 . . . . . 411 E CA . 26328 1
429 . 1 . 1 88 88 GLU CB C 13 31.852 0.138 . 1 . . . . . 411 E CB . 26328 1
430 . 1 . 1 88 88 GLU N N 15 120.868 0.052 . 1 . . . . . 411 E N . 26328 1
431 . 1 . 1 89 89 SER H H 1 8.412 0.006 . 1 . . . . . 412 S HN . 26328 1
432 . 1 . 1 89 89 SER C C 13 176.331 0.009 . 1 . . . . . 412 S C . 26328 1
433 . 1 . 1 89 89 SER CA C 13 57.935 0.056 . 1 . . . . . 412 S CA . 26328 1
434 . 1 . 1 89 89 SER CB C 13 63.582 0.000 . 1 . . . . . 412 S CB . 26328 1
435 . 1 . 1 89 89 SER N N 15 113.441 0.095 . 1 . . . . . 412 S N . 26328 1
436 . 1 . 1 90 90 LEU CA C 13 57.870 0.065 . 1 . . . . . 413 L CA . 26328 1
437 . 1 . 1 91 91 ALA H H 1 8.453 0.004 . 1 . . . . . 414 A HN . 26328 1
438 . 1 . 1 91 91 ALA C C 13 178.741 0.023 . 1 . . . . . 414 A C . 26328 1
439 . 1 . 1 91 91 ALA CA C 13 53.694 0.061 . 1 . . . . . 414 A CA . 26328 1
440 . 1 . 1 91 91 ALA CB C 13 17.979 0.063 . 1 . . . . . 414 A CB . 26328 1
441 . 1 . 1 91 91 ALA N N 15 123.143 0.069 . 1 . . . . . 414 A N . 26328 1
442 . 1 . 1 92 92 GLN H H 1 7.838 0.004 . 1 . . . . . 415 Q HN . 26328 1
443 . 1 . 1 92 92 GLN C C 13 176.880 0.030 . 1 . . . . . 415 Q C . 26328 1
444 . 1 . 1 92 92 GLN CA C 13 57.817 0.073 . 1 . . . . . 415 Q CA . 26328 1
445 . 1 . 1 92 92 GLN CB C 13 29.033 0.074 . 1 . . . . . 415 Q CB . 26328 1
446 . 1 . 1 92 92 GLN N N 15 114.409 0.033 . 1 . . . . . 415 Q N . 26328 1
447 . 1 . 1 93 93 TYR H H 1 7.902 0.002 . 1 . . . . . 416 Y HN . 26328 1
448 . 1 . 1 93 93 TYR C C 13 175.343 0.006 . 1 . . . . . 416 Y C . 26328 1
449 . 1 . 1 93 93 TYR CA C 13 58.441 0.050 . 1 . . . . . 416 Y CA . 26328 1
450 . 1 . 1 93 93 TYR CB C 13 38.597 0.049 . 1 . . . . . 416 Y CB . 26328 1
451 . 1 . 1 93 93 TYR N N 15 119.986 0.069 . 1 . . . . . 416 Y N . 26328 1
452 . 1 . 1 94 94 ASN H H 1 7.911 0.003 . 1 . . . . . 417 N HN . 26328 1
453 . 1 . 1 94 94 ASN C C 13 173.489 0.000 . 1 . . . . . 417 N C . 26328 1
454 . 1 . 1 94 94 ASN CA C 13 50.328 0.024 . 1 . . . . . 417 N CA . 26328 1
455 . 1 . 1 94 94 ASN CB C 13 40.494 0.000 . 1 . . . . . 417 N CB . 26328 1
456 . 1 . 1 94 94 ASN N N 15 117.287 0.057 . 1 . . . . . 417 N N . 26328 1
457 . 1 . 1 98 98 ASP C C 13 174.530 0.000 . 1 . . . . . 421 D C . 26328 1
458 . 1 . 1 98 98 ASP CA C 13 52.987 0.027 . 1 . . . . . 421 D CA . 26328 1
459 . 1 . 1 98 98 ASP CB C 13 38.578 0.013 . 1 . . . . . 421 D CB . 26328 1
460 . 1 . 1 99 99 VAL H H 1 8.123 0.005 . 1 . . . . . 422 V HN . 26328 1
461 . 1 . 1 99 99 VAL C C 13 171.860 0.005 . 1 . . . . . 422 V C . 26328 1
462 . 1 . 1 99 99 VAL CA C 13 60.071 0.052 . 1 . . . . . 422 V CA . 26328 1
463 . 1 . 1 99 99 VAL CB C 13 34.617 0.050 . 1 . . . . . 422 V CB . 26328 1
464 . 1 . 1 99 99 VAL N N 15 123.333 0.087 . 1 . . . . . 422 V N . 26328 1
465 . 1 . 1 100 100 LYS H H 1 7.636 0.004 . 1 . . . . . 423 K HN . 26328 1
466 . 1 . 1 100 100 LYS C C 13 174.777 0.015 . 1 . . . . . 423 K C . 26328 1
467 . 1 . 1 100 100 LYS CA C 13 55.138 0.082 . 1 . . . . . 423 K CA . 26328 1
468 . 1 . 1 100 100 LYS CB C 13 35.129 0.109 . 1 . . . . . 423 K CB . 26328 1
469 . 1 . 1 100 100 LYS N N 15 124.017 0.054 . 1 . . . . . 423 K N . 26328 1
470 . 1 . 1 101 101 LEU H H 1 8.051 0.002 . 1 . . . . . 424 L HN . 26328 1
471 . 1 . 1 101 101 LEU C C 13 178.781 0.000 . 1 . . . . . 424 L C . 26328 1
472 . 1 . 1 101 101 LEU CA C 13 53.174 0.074 . 1 . . . . . 424 L CA . 26328 1
473 . 1 . 1 101 101 LEU CB C 13 37.448 0.108 . 1 . . . . . 424 L CB . 26328 1
474 . 1 . 1 101 101 LEU N N 15 116.859 0.094 . 1 . . . . . 424 L N . 26328 1
475 . 1 . 1 102 102 LEU H H 1 7.874 0.002 . 1 . . . . . 425 L HN . 26328 1
476 . 1 . 1 102 102 LEU C C 13 178.111 0.013 . 1 . . . . . 425 L C . 26328 1
477 . 1 . 1 102 102 LEU CA C 13 56.856 0.054 . 1 . . . . . 425 L CA . 26328 1
478 . 1 . 1 102 102 LEU CB C 13 44.759 0.068 . 1 . . . . . 425 L CB . 26328 1
479 . 1 . 1 102 102 LEU N N 15 124.663 0.028 . 1 . . . . . 425 L N . 26328 1
480 . 1 . 1 103 103 TYR H H 1 7.755 0.002 . 1 . . . . . 426 Y HN . 26328 1
481 . 1 . 1 103 103 TYR C C 13 171.765 0.000 . 1 . . . . . 426 Y C . 26328 1
482 . 1 . 1 103 103 TYR CA C 13 53.092 0.067 . 1 . . . . . 426 Y CA . 26328 1
483 . 1 . 1 103 103 TYR CB C 13 39.695 0.000 . 1 . . . . . 426 Y CB . 26328 1
484 . 1 . 1 103 103 TYR N N 15 116.926 0.044 . 1 . . . . . 426 Y N . 26328 1
485 . 1 . 1 104 104 PRO C C 13 177.874 0.009 . 1 . . . . . 427 P C . 26328 1
486 . 1 . 1 104 104 PRO CA C 13 61.931 0.044 . 1 . . . . . 427 P CA . 26328 1
487 . 1 . 1 104 104 PRO CB C 13 32.687 0.090 . 1 . . . . . 427 P CB . 26328 1
488 . 1 . 1 105 105 VAL H H 1 7.981 0.002 . 1 . . . . . 428 V HN . 26328 1
489 . 1 . 1 105 105 VAL C C 13 175.685 0.010 . 1 . . . . . 428 V C . 26328 1
490 . 1 . 1 105 105 VAL CA C 13 63.020 0.065 . 1 . . . . . 428 V CA . 26328 1
491 . 1 . 1 105 105 VAL CB C 13 30.956 0.054 . 1 . . . . . 428 V CB . 26328 1
492 . 1 . 1 105 105 VAL N N 15 125.509 0.052 . 1 . . . . . 428 V N . 26328 1
493 . 1 . 1 106 106 SER H H 1 8.358 0.004 . 1 . . . . . 429 S HN . 26328 1
494 . 1 . 1 106 106 SER C C 13 174.543 0.017 . 1 . . . . . 429 S C . 26328 1
495 . 1 . 1 106 106 SER CA C 13 58.563 0.046 . 1 . . . . . 429 S CA . 26328 1
496 . 1 . 1 106 106 SER CB C 13 64.750 0.080 . 1 . . . . . 429 S CB . 26328 1
497 . 1 . 1 106 106 SER N N 15 123.521 0.041 . 1 . . . . . 429 S N . 26328 1
498 . 1 . 1 107 107 LYS H H 1 8.169 0.003 . 1 . . . . . 430 K HN . 26328 1
499 . 1 . 1 107 107 LYS CA C 13 58.498 0.031 . 1 . . . . . 430 K CA . 26328 1
500 . 1 . 1 107 107 LYS CB C 13 32.630 0.000 . 1 . . . . . 430 K CB . 26328 1
501 . 1 . 1 107 107 LYS N N 15 130.661 0.090 . 1 . . . . . 430 K N . 26328 1
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