###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 28070
_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 $Standard
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 'HN(CO)CACB (H[N[co[{CA|ca[C]}]]])' 1 $cSH2_1 isotropic 28070 1
2 '3D HNCACB' 1 $cSH2_1 isotropic 28070 1
3 '2D 1H-15N HSQC/HMQC' 1 $cSH2_1 isotropic 28070 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 $CcpNmr_Analysis . . 28070 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 PRO CA C 13 63.246 . . 1 . . 433 . . 2 PRO CA . 28070 1
2 . 1 . 1 2 2 PRO CB C 13 32.347 . . 1 . . 434 . . 2 PRO CB . 28070 1
3 . 1 . 1 3 3 MET H H 1 8.541 0.002 . 1 . . 181 . . 3 MET H . 28070 1
4 . 1 . 1 3 3 MET CA C 13 55.466 0.003 . 1 . . 404 . . 3 MET CA . 28070 1
5 . 1 . 1 3 3 MET CB C 13 32.828 0.018 . 1 . . 403 . . 3 MET CB . 28070 1
6 . 1 . 1 3 3 MET N N 15 120.351 0.002 . 1 . . 182 . . 3 MET N . 28070 1
7 . 1 . 1 4 4 ALA H H 1 8.289 0.001 . 1 . . 195 . . 4 ALA H . 28070 1
8 . 1 . 1 4 4 ALA CA C 13 52.378 0.003 . 1 . . 402 . . 4 ALA CA . 28070 1
9 . 1 . 1 4 4 ALA CB C 13 19.366 0.0 . 1 . . 401 . . 4 ALA CB . 28070 1
10 . 1 . 1 4 4 ALA N N 15 125.456 0.006 . 1 . . 196 . . 4 ALA N . 28070 1
11 . 1 . 1 5 5 ASP H H 1 8.370 0.001 . 1 . . 33 . . 5 ASP H . 28070 1
12 . 1 . 1 5 5 ASP CA C 13 51.942 . . 1 . . 413 . . 5 ASP CA . 28070 1
13 . 1 . 1 5 5 ASP CB C 13 41.352 . . 1 . . 414 . . 5 ASP CB . 28070 1
14 . 1 . 1 5 5 ASP N N 15 121.596 0.007 . 1 . . 34 . . 5 ASP N . 28070 1
15 . 1 . 1 6 6 PRO CA C 13 63.981 . . 1 . . 435 . . 6 PRO CA . 28070 1
16 . 1 . 1 6 6 PRO CB C 13 31.587 . . 1 . . 436 . . 6 PRO CB . 28070 1
17 . 1 . 1 7 7 THR H H 1 7.642 0.001 . 1 . . 218 . . 7 THR H . 28070 1
18 . 1 . 1 7 7 THR CA C 13 62.958 0.006 . 1 . . 410 . . 7 THR CA . 28070 1
19 . 1 . 1 7 7 THR CB C 13 68.789 0.002 . 1 . . 409 . . 7 THR CB . 28070 1
20 . 1 . 1 7 7 THR N N 15 109.815 0.004 . 1 . . 217 . . 7 THR N . 28070 1
21 . 1 . 1 8 8 SER H H 1 7.881 0.001 . 1 . . 155 . . 8 SER H . 28070 1
22 . 1 . 1 8 8 SER CA C 13 58.593 0.0 . 1 . . 393 . . 8 SER CA . 28070 1
23 . 1 . 1 8 8 SER CB C 13 63.819 0.001 . 1 . . 394 . . 8 SER CB . 28070 1
24 . 1 . 1 8 8 SER N N 15 116.485 0.004 . 1 . . 156 . . 8 SER N . 28070 1
25 . 1 . 1 9 9 GLU H H 1 7.619 0.001 . 1 . . 183 . . 9 GLU H . 28070 1
26 . 1 . 1 9 9 GLU CA C 13 55.428 0.002 . 1 . . 396 . . 9 GLU CA . 28070 1
27 . 1 . 1 9 9 GLU CB C 13 28.061 0.002 . 1 . . 395 . . 9 GLU CB . 28070 1
28 . 1 . 1 9 9 GLU N N 15 121.920 0.007 . 1 . . 184 . . 9 GLU N . 28070 1
29 . 1 . 1 10 10 ARG H H 1 8.852 0.001 . 1 . . 167 . . 10 ARG H . 28070 1
30 . 1 . 1 10 10 ARG CA C 13 57.562 0.005 . 1 . . 397 . . 10 ARG CA . 28070 1
31 . 1 . 1 10 10 ARG CB C 13 29.734 0.0 . 1 . . 398 . . 10 ARG CB . 28070 1
32 . 1 . 1 10 10 ARG N N 15 120.362 0.005 . 1 . . 168 . . 10 ARG N . 28070 1
33 . 1 . 1 11 11 TRP H H 1 6.344 0.001 . 1 . . 129 . . 11 TRP H . 28070 1
34 . 1 . 1 11 11 TRP CA C 13 54.308 0.001 . 1 . . 392 . . 11 TRP CA . 28070 1
35 . 1 . 1 11 11 TRP CB C 13 29.697 0.029 . 1 . . 391 . . 11 TRP CB . 28070 1
36 . 1 . 1 11 11 TRP N N 15 109.408 0.004 . 1 . . 130 . . 11 TRP N . 28070 1
37 . 1 . 1 12 12 PHE H H 1 7.714 0.001 . 1 . . 67 . . 12 PHE H . 28070 1
38 . 1 . 1 12 12 PHE CA C 13 57.897 0.003 . 1 . . 357 . . 12 PHE CA . 28070 1
39 . 1 . 1 12 12 PHE CB C 13 39.379 0.005 . 1 . . 358 . . 12 PHE CB . 28070 1
40 . 1 . 1 12 12 PHE N N 15 124.003 0.007 . 1 . . 68 . . 12 PHE N . 28070 1
41 . 1 . 1 13 13 HIS H H 1 9.062 0.001 . 1 . . 141 . . 13 HIS H . 28070 1
42 . 1 . 1 13 13 HIS CA C 13 56.236 0.003 . 1 . . 359 . . 13 HIS CA . 28070 1
43 . 1 . 1 13 13 HIS CB C 13 33.494 0.003 . 1 . . 360 . . 13 HIS CB . 28070 1
44 . 1 . 1 13 13 HIS N N 15 126.294 0.003 . 1 . . 142 . . 13 HIS N . 28070 1
45 . 1 . 1 14 14 GLY H H 1 5.554 0.001 . 1 . . 85 . . 14 GLY H . 28070 1
46 . 1 . 1 14 14 GLY CA C 13 47.524 0.003 . 1 . . 361 . . 14 GLY CA . 28070 1
47 . 1 . 1 14 14 GLY N N 15 104.870 0.001 . 1 . . 86 . . 14 GLY N . 28070 1
48 . 1 . 1 15 15 HIS H H 1 8.789 0.002 . 1 . . 171 . . 15 HIS H . 28070 1
49 . 1 . 1 15 15 HIS CA C 13 56.380 0.002 . 1 . . 363 . . 15 HIS CA . 28070 1
50 . 1 . 1 15 15 HIS CB C 13 28.576 0.012 . 1 . . 362 . . 15 HIS CB . 28070 1
51 . 1 . 1 15 15 HIS N N 15 125.862 0.009 . 1 . . 172 . . 15 HIS N . 28070 1
52 . 1 . 1 16 16 LEU H H 1 7.526 0.001 . 1 . . 127 . . 16 LEU H . 28070 1
53 . 1 . 1 16 16 LEU CA C 13 54.771 0.002 . 1 . . 364 . . 16 LEU CA . 28070 1
54 . 1 . 1 16 16 LEU CB C 13 45.186 0.002 . 1 . . 365 . . 16 LEU CB . 28070 1
55 . 1 . 1 16 16 LEU N N 15 126.914 0.006 . 1 . . 128 . . 16 LEU N . 28070 1
56 . 1 . 1 17 17 SER H H 1 9.040 0.001 . 1 . . 83 . . 17 SER H . 28070 1
57 . 1 . 1 17 17 SER CA C 13 57.871 0.002 . 1 . . 367 . . 17 SER CA . 28070 1
58 . 1 . 1 17 17 SER CB C 13 65.174 0.007 . 1 . . 366 . . 17 SER CB . 28070 1
59 . 1 . 1 17 17 SER N N 15 123.687 0.006 . 1 . . 84 . . 17 SER N . 28070 1
60 . 1 . 1 18 18 GLY H H 1 8.792 0.001 . 1 . . 139 . . 18 GLY H . 28070 1
61 . 1 . 1 18 18 GLY CA C 13 47.890 0.004 . 1 . . 368 . . 18 GLY CA . 28070 1
62 . 1 . 1 18 18 GLY N N 15 109.970 0.003 . 1 . . 140 . . 18 GLY N . 28070 1
63 . 1 . 1 19 19 LYS H H 1 8.306 0.002 . 1 . . 179 . . 19 LYS H . 28070 1
64 . 1 . 1 19 19 LYS CA C 13 59.001 0.0 . 1 . . 370 . . 19 LYS CA . 28070 1
65 . 1 . 1 19 19 LYS CB C 13 32.311 0.002 . 1 . . 369 . . 19 LYS CB . 28070 1
66 . 1 . 1 19 19 LYS N N 15 120.747 0.008 . 1 . . 180 . . 19 LYS N . 28070 1
67 . 1 . 1 20 20 GLU H H 1 7.781 0.001 . 1 . . 5 . . 20 GLU H . 28070 1
68 . 1 . 1 20 20 GLU CA C 13 59.045 0.032 . 1 . . 252 . . 20 GLU CA . 28070 1
69 . 1 . 1 20 20 GLU CB C 13 29.786 0.005 . 1 . . 253 . . 20 GLU CB . 28070 1
70 . 1 . 1 20 20 GLU N N 15 120.106 0.003 . 1 . . 6 . . 20 GLU N . 28070 1
71 . 1 . 1 21 21 ALA H H 1 8.607 0.001 . 1 . . 193 . . 21 ALA H . 28070 1
72 . 1 . 1 21 21 ALA CA C 13 55.319 0.007 . 1 . . 254 . . 21 ALA CA . 28070 1
73 . 1 . 1 21 21 ALA CB C 13 18.433 0.003 . 1 . . 255 . . 21 ALA CB . 28070 1
74 . 1 . 1 21 21 ALA N N 15 121.904 0.004 . 1 . . 194 . . 21 ALA N . 28070 1
75 . 1 . 1 22 22 GLU H H 1 8.483 0.001 . 1 . . 189 . . 22 GLU H . 28070 1
76 . 1 . 1 22 22 GLU CA C 13 60.133 0.004 . 1 . . 257 . . 22 GLU CA . 28070 1
77 . 1 . 1 22 22 GLU CB C 13 28.751 0.003 . 1 . . 256 . . 22 GLU CB . 28070 1
78 . 1 . 1 22 22 GLU N N 15 116.395 0.003 . 1 . . 190 . . 22 GLU N . 28070 1
79 . 1 . 1 23 23 LYS H H 1 7.931 0.0 . 1 . . 125 . . 23 LYS H . 28070 1
80 . 1 . 1 23 23 LYS CA C 13 60.013 0.034 . 1 . . 258 . . 23 LYS CA . 28070 1
81 . 1 . 1 23 23 LYS CB C 13 32.595 0.006 . 1 . . 259 . . 23 LYS CB . 28070 1
82 . 1 . 1 23 23 LYS N N 15 122.727 0.002 . 1 . . 126 . . 23 LYS N . 28070 1
83 . 1 . 1 24 24 LEU H H 1 8.032 0.001 . 1 . . 71 . . 24 LEU H . 28070 1
84 . 1 . 1 24 24 LEU CA C 13 58.264 0.002 . 1 . . 261 . . 24 LEU CA . 28070 1
85 . 1 . 1 24 24 LEU CB C 13 42.810 0.003 . 1 . . 260 . . 24 LEU CB . 28070 1
86 . 1 . 1 24 24 LEU N N 15 119.012 0.005 . 1 . . 72 . . 24 LEU N . 28070 1
87 . 1 . 1 25 25 LEU H H 1 8.259 0.001 . 1 . . 3 . . 25 LEU H . 28070 1
88 . 1 . 1 25 25 LEU CA C 13 57.926 0.034 . 1 . . 240 . . 25 LEU CA . 28070 1
89 . 1 . 1 25 25 LEU CB C 13 42.634 0.017 . 1 . . 239 . . 25 LEU CB . 28070 1
90 . 1 . 1 25 25 LEU N N 15 116.267 0.003 . 1 . . 4 . . 25 LEU N . 28070 1
91 . 1 . 1 26 26 THR H H 1 8.190 0.001 . 1 . . 69 . . 26 THR H . 28070 1
92 . 1 . 1 26 26 THR CA C 13 66.479 0.002 . 1 . . 242 . . 26 THR CA . 28070 1
93 . 1 . 1 26 26 THR CB C 13 68.807 0.0 . 1 . . 241 . . 26 THR CB . 28070 1
94 . 1 . 1 26 26 THR N N 15 115.302 0.006 . 1 . . 70 . . 26 THR N . 28070 1
95 . 1 . 1 27 27 GLU H H 1 8.330 0.001 . 1 . . 41 . . 27 GLU H . 28070 1
96 . 1 . 1 27 27 GLU CA C 13 59.083 0.004 . 1 . . 244 . . 27 GLU CA . 28070 1
97 . 1 . 1 27 27 GLU CB C 13 30.626 0.002 . 1 . . 243 . . 27 GLU CB . 28070 1
98 . 1 . 1 27 27 GLU N N 15 119.338 0.004 . 1 . . 42 . . 27 GLU N . 28070 1
99 . 1 . 1 28 28 LYS H H 1 8.298 0.001 . 1 . . 215 . . 28 LYS H . 28070 1
100 . 1 . 1 28 28 LYS CA C 13 55.558 0.001 . 1 . . 246 . . 28 LYS CA . 28070 1
101 . 1 . 1 28 28 LYS CB C 13 34.393 0.002 . 1 . . 245 . . 28 LYS CB . 28070 1
102 . 1 . 1 28 28 LYS N N 15 113.687 0.008 . 1 . . 216 . . 28 LYS N . 28070 1
103 . 1 . 1 29 29 GLY H H 1 7.204 0.001 . 1 . . 53 . . 29 GLY H . 28070 1
104 . 1 . 1 29 29 GLY CA C 13 44.027 0.001 . 1 . . 247 . . 29 GLY CA . 28070 1
105 . 1 . 1 29 29 GLY N N 15 106.683 0.01 . 1 . . 54 . . 29 GLY N . 28070 1
106 . 1 . 1 30 30 LYS H H 1 8.495 0.0 . 1 . . 199 . . 30 LYS H . 28070 1
107 . 1 . 1 30 30 LYS CA C 13 54.027 0.007 . 1 . . 249 . . 30 LYS CA . 28070 1
108 . 1 . 1 30 30 LYS CB C 13 35.631 0.004 . 1 . . 248 . . 30 LYS CB . 28070 1
109 . 1 . 1 30 30 LYS N N 15 116.309 0.003 . 1 . . 200 . . 30 LYS N . 28070 1
110 . 1 . 1 31 31 HIS H H 1 9.042 0.002 . 1 . . 107 . . 31 HIS H . 28070 1
111 . 1 . 1 31 31 HIS CA C 13 60.571 0.002 . 1 . . 250 . . 31 HIS CA . 28070 1
112 . 1 . 1 31 31 HIS CB C 13 30.682 0.0 . 1 . . 251 . . 31 HIS CB . 28070 1
113 . 1 . 1 31 31 HIS N N 15 121.363 0.005 . 1 . . 108 . . 31 HIS N . 28070 1
114 . 1 . 1 32 32 GLY H H 1 8.730 0.001 . 1 . . 209 . . 32 GLY H . 28070 1
115 . 1 . 1 32 32 GLY CA C 13 45.309 0.007 . 1 . . 290 . . 32 GLY CA . 28070 1
116 . 1 . 1 32 32 GLY N N 15 116.242 0.005 . 1 . . 210 . . 32 GLY N . 28070 1
117 . 1 . 1 33 33 SER H H 1 8.813 0.001 . 1 . . 173 . . 33 SER H . 28070 1
118 . 1 . 1 33 33 SER CA C 13 60.305 0.004 . 1 . . 291 . . 33 SER CA . 28070 1
119 . 1 . 1 33 33 SER CB C 13 63.381 0.002 . 1 . . 292 . . 33 SER CB . 28070 1
120 . 1 . 1 33 33 SER N N 15 120.832 0.004 . 1 . . 174 . . 33 SER N . 28070 1
121 . 1 . 1 34 34 PHE H H 1 7.571 0.001 . 1 . . 165 . . 34 PHE H . 28070 1
122 . 1 . 1 34 34 PHE CA C 13 55.151 0.008 . 1 . . 294 . . 34 PHE CA . 28070 1
123 . 1 . 1 34 34 PHE CB C 13 44.592 0.01 . 1 . . 293 . . 34 PHE CB . 28070 1
124 . 1 . 1 34 34 PHE N N 15 116.467 0.009 . 1 . . 166 . . 34 PHE N . 28070 1
125 . 1 . 1 35 35 LEU H H 1 9.078 0.0 . 1 . . 95 . . 35 LEU H . 28070 1
126 . 1 . 1 35 35 LEU CA C 13 54.241 0.009 . 1 . . 296 . . 35 LEU CA . 28070 1
127 . 1 . 1 35 35 LEU CB C 13 44.673 0.073 . 1 . . 295 . . 35 LEU CB . 28070 1
128 . 1 . 1 35 35 LEU N N 15 114.980 0.002 . 1 . . 96 . . 35 LEU N . 28070 1
129 . 1 . 1 36 36 VAL H H 1 9.386 0.001 . 1 . . 201 . . 36 VAL H . 28070 1
130 . 1 . 1 36 36 VAL CA C 13 60.824 0.003 . 1 . . 297 . . 36 VAL CA . 28070 1
131 . 1 . 1 36 36 VAL CB C 13 34.719 0.007 . 1 . . 298 . . 36 VAL CB . 28070 1
132 . 1 . 1 36 36 VAL N N 15 120.282 0.006 . 1 . . 202 . . 36 VAL N . 28070 1
133 . 1 . 1 37 37 ARG H H 1 9.458 0.0 . 1 . . 75 . . 37 ARG H . 28070 1
134 . 1 . 1 37 37 ARG CA C 13 53.086 0.005 . 1 . . 299 . . 37 ARG CA . 28070 1
135 . 1 . 1 37 37 ARG CB C 13 33.980 0.003 . 1 . . 300 . . 37 ARG CB . 28070 1
136 . 1 . 1 37 37 ARG N N 15 123.717 0.004 . 1 . . 76 . . 37 ARG N . 28070 1
137 . 1 . 1 38 38 GLU H H 1 8.762 0.001 . 1 . . 147 . . 38 GLU H . 28070 1
138 . 1 . 1 38 38 GLU CA C 13 56.731 0.01 . 1 . . 302 . . 38 GLU CA . 28070 1
139 . 1 . 1 38 38 GLU CB C 13 31.155 0.003 . 1 . . 301 . . 38 GLU CB . 28070 1
140 . 1 . 1 38 38 GLU N N 15 121.281 0.005 . 1 . . 148 . . 38 GLU N . 28070 1
141 . 1 . 1 39 39 SER H H 1 8.044 0.001 . 1 . . 55 . . 39 SER H . 28070 1
142 . 1 . 1 39 39 SER CA C 13 57.925 . . 1 . . 416 . . 39 SER CA . 28070 1
143 . 1 . 1 39 39 SER CB C 13 63.460 . . 1 . . 415 . . 39 SER CB . 28070 1
144 . 1 . 1 39 39 SER N N 15 115.375 0.008 . 1 . . 56 . . 39 SER N . 28070 1
145 . 1 . 1 41 41 SER CA C 13 59.439 . . 1 . . 427 . . 41 SER CA . 28070 1
146 . 1 . 1 41 41 SER CB C 13 63.679 . . 1 . . 428 . . 41 SER CB . 28070 1
147 . 1 . 1 42 42 HIS H H 1 7.810 0.001 . 1 . . 169 . . 42 HIS H . 28070 1
148 . 1 . 1 42 42 HIS CA C 13 53.568 . . 1 . . 429 . . 42 HIS CA . 28070 1
149 . 1 . 1 42 42 HIS CB C 13 29.953 . . 1 . . 430 . . 42 HIS CB . 28070 1
150 . 1 . 1 42 42 HIS N N 15 122.121 0.007 . 1 . . 170 . . 42 HIS N . 28070 1
151 . 1 . 1 43 43 PRO CA C 13 64.129 . . 1 . . 437 . . 43 PRO CA . 28070 1
152 . 1 . 1 43 43 PRO CB C 13 31.584 . . 1 . . 438 . . 43 PRO CB . 28070 1
153 . 1 . 1 44 44 GLY H H 1 9.050 0.001 . 1 . . 87 . . 44 GLY H . 28070 1
154 . 1 . 1 44 44 GLY CA C 13 45.250 0.003 . 1 . . 412 . . 44 GLY CA . 28070 1
155 . 1 . 1 44 44 GLY N N 15 115.168 0.007 . 1 . . 88 . . 44 GLY N . 28070 1
156 . 1 . 1 45 45 ASP H H 1 7.785 0.001 . 1 . . 81 . . 45 ASP H . 28070 1
157 . 1 . 1 45 45 ASP CA C 13 53.325 0.002 . 1 . . 374 . . 45 ASP CA . 28070 1
158 . 1 . 1 45 45 ASP CB C 13 41.826 0.003 . 1 . . 375 . . 45 ASP CB . 28070 1
159 . 1 . 1 45 45 ASP N N 15 119.012 0.004 . 1 . . 82 . . 45 ASP N . 28070 1
160 . 1 . 1 46 46 PHE H H 1 9.187 0.001 . 1 . . 109 . . 46 PHE H . 28070 1
161 . 1 . 1 46 46 PHE CA C 13 57.169 0.0 . 1 . . 376 . . 46 PHE CA . 28070 1
162 . 1 . 1 46 46 PHE CB C 13 43.923 0.002 . 1 . . 377 . . 46 PHE CB . 28070 1
163 . 1 . 1 46 46 PHE N N 15 117.566 0.004 . 1 . . 110 . . 46 PHE N . 28070 1
164 . 1 . 1 47 47 VAL H H 1 9.586 0.001 . 1 . . 113 . . 47 VAL H . 28070 1
165 . 1 . 1 47 47 VAL CA C 13 61.537 0.002 . 1 . . 378 . . 47 VAL CA . 28070 1
166 . 1 . 1 47 47 VAL CB C 13 35.884 0.001 . 1 . . 379 . . 47 VAL CB . 28070 1
167 . 1 . 1 47 47 VAL N N 15 120.557 0.004 . 1 . . 114 . . 47 VAL N . 28070 1
168 . 1 . 1 48 48 LEU H H 1 9.479 0.0 . 1 . . 61 . . 48 LEU H . 28070 1
169 . 1 . 1 48 48 LEU CA C 13 53.361 0.0 . 1 . . 341 . . 48 LEU CA . 28070 1
170 . 1 . 1 48 48 LEU CB C 13 44.537 0.014 . 1 . . 342 . . 48 LEU CB . 28070 1
171 . 1 . 1 48 48 LEU N N 15 130.175 0.003 . 1 . . 62 . . 48 LEU N . 28070 1
172 . 1 . 1 49 49 SER H H 1 9.227 0.001 . 1 . . 211 . . 49 SER H . 28070 1
173 . 1 . 1 49 49 SER CA C 13 58.998 0.002 . 1 . . 344 . . 49 SER CA . 28070 1
174 . 1 . 1 49 49 SER CB C 13 65.010 0.0 . 1 . . 343 . . 49 SER CB . 28070 1
175 . 1 . 1 49 49 SER N N 15 125.255 0.006 . 1 . . 212 . . 49 SER N . 28070 1
176 . 1 . 1 50 50 VAL H H 1 8.883 0.001 . 1 . . 115 . . 50 VAL H . 28070 1
177 . 1 . 1 50 50 VAL CA C 13 59.827 0.002 . 1 . . 346 . . 50 VAL CA . 28070 1
178 . 1 . 1 50 50 VAL CB C 13 36.062 0.006 . 1 . . 345 . . 50 VAL CB . 28070 1
179 . 1 . 1 50 50 VAL N N 15 122.875 0.002 . 1 . . 116 . . 50 VAL N . 28070 1
180 . 1 . 1 51 51 ARG H H 1 9.070 0.001 . 1 . . 145 . . 51 ARG H . 28070 1
181 . 1 . 1 51 51 ARG CA C 13 55.085 0.002 . 1 . . 347 . . 51 ARG CA . 28070 1
182 . 1 . 1 51 51 ARG CB C 13 31.598 0.003 . 1 . . 348 . . 51 ARG CB . 28070 1
183 . 1 . 1 51 51 ARG N N 15 128.734 0.004 . 1 . . 146 . . 51 ARG N . 28070 1
184 . 1 . 1 52 52 THR H H 1 8.812 0.001 . 1 . . 177 . . 52 THR H . 28070 1
185 . 1 . 1 52 52 THR CA C 13 61.029 0.004 . 1 . . 418 . . 52 THR CA . 28070 1
186 . 1 . 1 52 52 THR CB C 13 70.252 0.025 . 1 . . 417 . . 52 THR CB . 28070 1
187 . 1 . 1 52 52 THR N N 15 121.924 0.008 . 1 . . 178 . . 52 THR N . 28070 1
188 . 1 . 1 53 53 GLY H H 1 9.752 0.003 . 1 . . 219 . . 53 GLY H . 28070 1
189 . 1 . 1 53 53 GLY CA C 13 45.098 0.014 . 1 . . 411 . . 53 GLY CA . 28070 1
190 . 1 . 1 53 53 GLY N N 15 112.735 0.01 . 1 . . 220 . . 53 GLY N . 28070 1
191 . 1 . 1 54 54 ASP H H 1 8.414 0.001 . 1 . . 213 . . 54 ASP H . 28070 1
192 . 1 . 1 54 54 ASP CA C 13 54.039 0.004 . 1 . . 407 . . 54 ASP CA . 28070 1
193 . 1 . 1 54 54 ASP CB C 13 42.314 0.003 . 1 . . 408 . . 54 ASP CB . 28070 1
194 . 1 . 1 54 54 ASP N N 15 120.638 0.004 . 1 . . 214 . . 54 ASP N . 28070 1
195 . 1 . 1 55 55 ASP H H 1 8.559 0.001 . 1 . . 197 . . 55 ASP H . 28070 1
196 . 1 . 1 55 55 ASP CA C 13 54.964 0.002 . 1 . . 405 . . 55 ASP CA . 28070 1
197 . 1 . 1 55 55 ASP CB C 13 41.117 0.0 . 1 . . 406 . . 55 ASP CB . 28070 1
198 . 1 . 1 55 55 ASP N N 15 120.665 0.005 . 1 . . 198 . . 55 ASP N . 28070 1
199 . 1 . 1 56 56 LYS H H 1 8.370 0.001 . 1 . . 175 . . 56 LYS H . 28070 1
200 . 1 . 1 56 56 LYS CA C 13 56.362 0.003 . 1 . . 400 . . 56 LYS CA . 28070 1
201 . 1 . 1 56 56 LYS CB C 13 32.722 0.001 . 1 . . 399 . . 56 LYS CB . 28070 1
202 . 1 . 1 56 56 LYS N N 15 120.380 0.002 . 1 . . 176 . . 56 LYS N . 28070 1
203 . 1 . 1 57 57 GLY H H 1 8.300 0.001 . 1 . . 73 . . 57 GLY H . 28070 1
204 . 1 . 1 57 57 GLY CA C 13 45.566 0.002 . 1 . . 371 . . 57 GLY CA . 28070 1
205 . 1 . 1 57 57 GLY N N 15 109.310 0.002 . 1 . . 74 . . 57 GLY N . 28070 1
206 . 1 . 1 58 58 GLU H H 1 8.479 0.002 . 1 . . 207 . . 58 GLU H . 28070 1
207 . 1 . 1 58 58 GLU CA C 13 56.850 0.003 . 1 . . 372 . . 58 GLU CA . 28070 1
208 . 1 . 1 58 58 GLU CB C 13 30.256 0.001 . 1 . . 373 . . 58 GLU CB . 28070 1
209 . 1 . 1 58 58 GLU N N 15 120.656 0.006 . 1 . . 208 . . 58 GLU N . 28070 1
210 . 1 . 1 59 59 SER H H 1 8.403 0.001 . 1 . . 29 . . 59 SER H . 28070 1
211 . 1 . 1 59 59 SER CA C 13 58.433 . . 1 . . 420 . . 59 SER CA . 28070 1
212 . 1 . 1 59 59 SER CB C 13 63.887 . . 1 . . 419 . . 59 SER CB . 28070 1
213 . 1 . 1 59 59 SER N N 15 115.849 0.004 . 1 . . 30 . . 59 SER N . 28070 1
214 . 1 . 1 60 60 ASN CA C 13 53.719 . . 1 . . 431 . . 60 ASN CA . 28070 1
215 . 1 . 1 60 60 ASN CB C 13 38.738 . . 1 . . 432 . . 60 ASN CB . 28070 1
216 . 1 . 1 61 61 ASP H H 1 8.260 0.001 . 1 . . 57 . . 61 ASP H . 28070 1
217 . 1 . 1 61 61 ASP CA C 13 54.507 0.0 . 1 . . 323 . . 61 ASP CA . 28070 1
218 . 1 . 1 61 61 ASP CB C 13 41.016 0.0 . 1 . . 322 . . 61 ASP CB . 28070 1
219 . 1 . 1 61 61 ASP N N 15 119.302 0.001 . 1 . . 58 . . 61 ASP N . 28070 1
220 . 1 . 1 62 62 GLY H H 1 8.310 0.001 . 1 . . 13 . . 62 GLY H . 28070 1
221 . 1 . 1 62 62 GLY CA C 13 45.690 0.003 . 1 . . 324 . . 62 GLY CA . 28070 1
222 . 1 . 1 62 62 GLY N N 15 108.654 0.004 . 1 . . 14 . . 62 GLY N . 28070 1
223 . 1 . 1 63 63 LYS H H 1 8.003 0.001 . 1 . . 157 . . 63 LYS H . 28070 1
224 . 1 . 1 63 63 LYS CA C 13 56.099 0.002 . 1 . . 326 . . 63 LYS CA . 28070 1
225 . 1 . 1 63 63 LYS CB C 13 33.240 0.002 . 1 . . 325 . . 63 LYS CB . 28070 1
226 . 1 . 1 63 63 LYS N N 15 120.434 0.006 . 1 . . 158 . . 63 LYS N . 28070 1
227 . 1 . 1 64 64 SER H H 1 8.329 0.001 . 1 . . 133 . . 64 SER H . 28070 1
228 . 1 . 1 64 64 SER CA C 13 58.445 0.001 . 1 . . 327 . . 64 SER CA . 28070 1
229 . 1 . 1 64 64 SER CB C 13 64.151 0.002 . 1 . . 328 . . 64 SER CB . 28070 1
230 . 1 . 1 64 64 SER N N 15 117.062 0.005 . 1 . . 134 . . 64 SER N . 28070 1
231 . 1 . 1 65 65 LYS H H 1 8.668 0.001 . 1 . . 99 . . 65 LYS H . 28070 1
232 . 1 . 1 65 65 LYS CA C 13 56.128 0.0 . 1 . . 329 . . 65 LYS CA . 28070 1
233 . 1 . 1 65 65 LYS CB C 13 34.326 0.001 . 1 . . 330 . . 65 LYS CB . 28070 1
234 . 1 . 1 65 65 LYS N N 15 123.018 0.008 . 1 . . 100 . . 65 LYS N . 28070 1
235 . 1 . 1 66 66 VAL H H 1 8.128 0.001 . 1 . . 143 . . 66 VAL H . 28070 1
236 . 1 . 1 66 66 VAL CA C 13 60.645 0.0 . 1 . . 332 . . 66 VAL CA . 28070 1
237 . 1 . 1 66 66 VAL CB C 13 34.712 0.043 . 1 . . 331 . . 66 VAL CB . 28070 1
238 . 1 . 1 66 66 VAL N N 15 121.263 0.005 . 1 . . 144 . . 66 VAL N . 28070 1
239 . 1 . 1 67 67 THR H H 1 8.823 0.001 . 1 . . 59 . . 67 THR H . 28070 1
240 . 1 . 1 67 67 THR CA C 13 61.567 0.0 . 1 . . 334 . . 67 THR CA . 28070 1
241 . 1 . 1 67 67 THR CB C 13 70.668 0.003 . 1 . . 333 . . 67 THR CB . 28070 1
242 . 1 . 1 67 67 THR N N 15 124.453 0.004 . 1 . . 60 . . 67 THR N . 28070 1
243 . 1 . 1 68 68 HIS H H 1 8.759 0.001 . 1 . . 151 . . 68 HIS H . 28070 1
244 . 1 . 1 68 68 HIS CA C 13 54.592 0.001 . 1 . . 335 . . 68 HIS CA . 28070 1
245 . 1 . 1 68 68 HIS CB C 13 31.730 0.001 . 1 . . 336 . . 68 HIS CB . 28070 1
246 . 1 . 1 68 68 HIS N N 15 126.279 0.004 . 1 . . 152 . . 68 HIS N . 28070 1
247 . 1 . 1 69 69 VAL H H 1 9.734 0.001 . 1 . . 105 . . 69 VAL H . 28070 1
248 . 1 . 1 69 69 VAL CA C 13 61.540 0.002 . 1 . . 337 . . 69 VAL CA . 28070 1
249 . 1 . 1 69 69 VAL CB C 13 34.010 0.01 . 1 . . 338 . . 69 VAL CB . 28070 1
250 . 1 . 1 69 69 VAL N N 15 127.337 0.005 . 1 . . 106 . . 69 VAL N . 28070 1
251 . 1 . 1 70 70 MET H H 1 8.815 0.001 . 1 . . 117 . . 70 MET H . 28070 1
252 . 1 . 1 70 70 MET CA C 13 56.563 0.0 . 1 . . 340 . . 70 MET CA . 28070 1
253 . 1 . 1 70 70 MET CB C 13 31.961 0.003 . 1 . . 339 . . 70 MET CB . 28070 1
254 . 1 . 1 70 70 MET N N 15 127.256 0.003 . 1 . . 118 . . 70 MET N . 28070 1
255 . 1 . 1 71 71 ILE H H 1 8.772 0.001 . 1 . . 9 . . 71 ILE H . 28070 1
256 . 1 . 1 71 71 ILE CA C 13 60.061 0.008 . 1 . . 271 . . 71 ILE CA . 28070 1
257 . 1 . 1 71 71 ILE CB C 13 39.307 0.005 . 1 . . 270 . . 71 ILE CB . 28070 1
258 . 1 . 1 71 71 ILE N N 15 125.029 0.003 . 1 . . 10 . . 71 ILE N . 28070 1
259 . 1 . 1 72 72 ARG H H 1 8.811 0.001 . 1 . . 185 . . 72 ARG H . 28070 1
260 . 1 . 1 72 72 ARG CA C 13 55.399 0.006 . 1 . . 273 . . 72 ARG CA . 28070 1
261 . 1 . 1 72 72 ARG CB C 13 31.832 0.008 . 1 . . 272 . . 72 ARG CB . 28070 1
262 . 1 . 1 72 72 ARG N N 15 128.330 0.006 . 1 . . 186 . . 72 ARG N . 28070 1
263 . 1 . 1 73 73 CYS H H 1 8.796 0.001 . 1 . . 35 . . 73 CYS H . 28070 1
264 . 1 . 1 73 73 CYS CA C 13 57.168 0.003 . 1 . . 274 . . 73 CYS CA . 28070 1
265 . 1 . 1 73 73 CYS CB C 13 28.376 0.004 . 1 . . 275 . . 73 CYS CB . 28070 1
266 . 1 . 1 73 73 CYS N N 15 124.727 0.007 . 1 . . 36 . . 73 CYS N . 28070 1
267 . 1 . 1 74 74 GLN H H 1 8.767 0.001 . 1 . . 11 . . 74 GLN H . 28070 1
268 . 1 . 1 74 74 GLN CA C 13 55.105 0.008 . 1 . . 276 . . 74 GLN CA . 28070 1
269 . 1 . 1 74 74 GLN CB C 13 31.501 0.005 . 1 . . 277 . . 74 GLN CB . 28070 1
270 . 1 . 1 74 74 GLN N N 15 128.152 0.009 . 1 . . 12 . . 74 GLN N . 28070 1
271 . 1 . 1 75 75 GLU H H 1 9.357 0.001 . 1 . . 205 . . 75 GLU H . 28070 1
272 . 1 . 1 75 75 GLU CA C 13 57.396 0.005 . 1 . . 279 . . 75 GLU CA . 28070 1
273 . 1 . 1 75 75 GLU CB C 13 27.576 0.003 . 1 . . 278 . . 75 GLU CB . 28070 1
274 . 1 . 1 75 75 GLU N N 15 125.378 0.009 . 1 . . 206 . . 75 GLU N . 28070 1
275 . 1 . 1 76 76 LEU H H 1 8.354 0.001 . 1 . . 111 . . 76 LEU H . 28070 1
276 . 1 . 1 76 76 LEU CA C 13 56.729 0.014 . 1 . . 280 . . 76 LEU CA . 28070 1
277 . 1 . 1 76 76 LEU CB C 13 39.446 0.003 . 1 . . 281 . . 76 LEU CB . 28070 1
278 . 1 . 1 76 76 LEU N N 15 108.974 0.003 . 1 . . 112 . . 76 LEU N . 28070 1
279 . 1 . 1 77 77 LYS H H 1 7.562 0.001 . 1 . . 43 . . 77 LYS H . 28070 1
280 . 1 . 1 77 77 LYS CA C 13 53.994 0.006 . 1 . . 283 . . 77 LYS CA . 28070 1
281 . 1 . 1 77 77 LYS CB C 13 36.257 0.001 . 1 . . 282 . . 77 LYS CB . 28070 1
282 . 1 . 1 77 77 LYS N N 15 118.038 0.007 . 1 . . 44 . . 77 LYS N . 28070 1
283 . 1 . 1 78 78 TYR H H 1 9.434 0.001 . 1 . . 191 . . 78 TYR H . 28070 1
284 . 1 . 1 78 78 TYR CA C 13 57.134 0.002 . 1 . . 284 . . 78 TYR CA . 28070 1
285 . 1 . 1 78 78 TYR CB C 13 42.021 0.004 . 1 . . 285 . . 78 TYR CB . 28070 1
286 . 1 . 1 78 78 TYR N N 15 120.327 0.007 . 1 . . 192 . . 78 TYR N . 28070 1
287 . 1 . 1 79 79 ASP H H 1 9.227 0.001 . 1 . . 49 . . 79 ASP H . 28070 1
288 . 1 . 1 79 79 ASP CA C 13 54.290 0.004 . 1 . . 287 . . 79 ASP CA . 28070 1
289 . 1 . 1 79 79 ASP CB C 13 45.683 0.0 . 1 . . 286 . . 79 ASP CB . 28070 1
290 . 1 . 1 79 79 ASP N N 15 119.317 0.004 . 1 . . 50 . . 79 ASP N . 28070 1
291 . 1 . 1 80 80 VAL H H 1 8.655 0.001 . 1 . . 79 . . 80 VAL H . 28070 1
292 . 1 . 1 80 80 VAL CA C 13 60.191 0.0 . 1 . . 289 . . 80 VAL CA . 28070 1
293 . 1 . 1 80 80 VAL CB C 13 31.417 0.005 . 1 . . 288 . . 80 VAL CB . 28070 1
294 . 1 . 1 80 80 VAL N N 15 113.064 0.005 . 1 . . 80 . . 80 VAL N . 28070 1
295 . 1 . 1 81 81 GLY H H 1 9.476 0.001 . 1 . . 135 . . 81 GLY H . 28070 1
296 . 1 . 1 81 81 GLY CA C 13 45.663 0.005 . 1 . . 317 . . 81 GLY CA . 28070 1
297 . 1 . 1 81 81 GLY N N 15 112.807 0.009 . 1 . . 136 . . 81 GLY N . 28070 1
298 . 1 . 1 82 82 GLY H H 1 8.114 0.001 . 1 . . 45 . . 82 GLY H . 28070 1
299 . 1 . 1 82 82 GLY CA C 13 44.760 0.008 . 1 . . 315 . . 82 GLY CA . 28070 1
300 . 1 . 1 82 82 GLY N N 15 107.695 0.001 . 1 . . 46 . . 82 GLY N . 28070 1
301 . 1 . 1 83 83 GLY H H 1 8.522 0.001 . 1 . . 27 . . 83 GLY H . 28070 1
302 . 1 . 1 83 83 GLY CA C 13 45.260 0.003 . 1 . . 316 . . 83 GLY CA . 28070 1
303 . 1 . 1 83 83 GLY N N 15 108.379 0.008 . 1 . . 28 . . 83 GLY N . 28070 1
304 . 1 . 1 84 84 GLU H H 1 8.016 0.002 . 1 . . 17 . . 84 GLU H . 28070 1
305 . 1 . 1 84 84 GLU CA C 13 56.476 0.007 . 1 . . 303 . . 84 GLU CA . 28070 1
306 . 1 . 1 84 84 GLU CB C 13 30.328 0.003 . 1 . . 304 . . 84 GLU CB . 28070 1
307 . 1 . 1 84 84 GLU N N 15 120.729 0.005 . 1 . . 18 . . 84 GLU N . 28070 1
308 . 1 . 1 85 85 ARG H H 1 7.890 0.001 . 1 . . 31 . . 85 ARG H . 28070 1
309 . 1 . 1 85 85 ARG CA C 13 54.373 0.002 . 1 . . 305 . . 85 ARG CA . 28070 1
310 . 1 . 1 85 85 ARG CB C 13 33.028 0.002 . 1 . . 306 . . 85 ARG CB . 28070 1
311 . 1 . 1 85 85 ARG N N 15 119.552 0.004 . 1 . . 32 . . 85 ARG N . 28070 1
312 . 1 . 1 86 86 PHE H H 1 9.416 0.001 . 1 . . 23 . . 86 PHE H . 28070 1
313 . 1 . 1 86 86 PHE CA C 13 57.616 0.003 . 1 . . 308 . . 86 PHE CA . 28070 1
314 . 1 . 1 86 86 PHE CB C 13 43.939 0.006 . 1 . . 307 . . 86 PHE CB . 28070 1
315 . 1 . 1 86 86 PHE N N 15 119.539 0.006 . 1 . . 24 . . 86 PHE N . 28070 1
316 . 1 . 1 87 87 ASP H H 1 10.021 0.001 . 1 . . 163 . . 87 ASP H . 28070 1
317 . 1 . 1 87 87 ASP CA C 13 56.193 0.003 . 1 . . 310 . . 87 ASP CA . 28070 1
318 . 1 . 1 87 87 ASP CB C 13 41.782 0.007 . 1 . . 309 . . 87 ASP CB . 28070 1
319 . 1 . 1 87 87 ASP N N 15 120.877 0.006 . 1 . . 164 . . 87 ASP N . 28070 1
320 . 1 . 1 88 88 SER H H 1 7.604 0.001 . 1 . . 21 . . 88 SER H . 28070 1
321 . 1 . 1 88 88 SER CA C 13 56.440 0.004 . 1 . . 312 . . 88 SER CA . 28070 1
322 . 1 . 1 88 88 SER CB C 13 66.673 0.0 . 1 . . 311 . . 88 SER CB . 28070 1
323 . 1 . 1 88 88 SER N N 15 108.554 0.003 . 1 . . 22 . . 88 SER N . 28070 1
324 . 1 . 1 89 89 LEU H H 1 8.771 0.001 . 1 . . 159 . . 89 LEU H . 28070 1
325 . 1 . 1 89 89 LEU CA C 13 57.153 0.004 . 1 . . 313 . . 89 LEU CA . 28070 1
326 . 1 . 1 89 89 LEU CB C 13 42.166 0.01 . 1 . . 314 . . 89 LEU CB . 28070 1
327 . 1 . 1 89 89 LEU N N 15 122.193 0.004 . 1 . . 160 . . 89 LEU N . 28070 1
328 . 1 . 1 90 90 THR H H 1 7.980 0.001 . 1 . . 1 . . 90 THR H . 28070 1
329 . 1 . 1 90 90 THR CA C 13 67.141 0.011 . 1 . . 222 . . 90 THR CA . 28070 1
330 . 1 . 1 90 90 THR CB C 13 68.725 0.009 . 1 . . 221 . . 90 THR CB . 28070 1
331 . 1 . 1 90 90 THR N N 15 114.637 0.008 . 1 . . 2 . . 90 THR N . 28070 1
332 . 1 . 1 91 91 ASP H H 1 7.781 0.001 . 1 . . 153 . . 91 ASP H . 28070 1
333 . 1 . 1 91 91 ASP CA C 13 57.342 0.001 . 1 . . 224 . . 91 ASP CA . 28070 1
334 . 1 . 1 91 91 ASP CB C 13 40.676 0.003 . 1 . . 223 . . 91 ASP CB . 28070 1
335 . 1 . 1 91 91 ASP N N 15 121.044 0.006 . 1 . . 154 . . 91 ASP N . 28070 1
336 . 1 . 1 92 92 LEU H H 1 6.998 0.001 . 1 . . 137 . . 92 LEU H . 28070 1
337 . 1 . 1 92 92 LEU CA C 13 58.975 0.003 . 1 . . 225 . . 92 LEU CA . 28070 1
338 . 1 . 1 92 92 LEU CB C 13 42.156 0.003 . 1 . . 226 . . 92 LEU CB . 28070 1
339 . 1 . 1 92 92 LEU N N 15 122.590 0.009 . 1 . . 138 . . 92 LEU N . 28070 1
340 . 1 . 1 93 93 VAL H H 1 7.996 0.001 . 1 . . 15 . . 93 VAL H . 28070 1
341 . 1 . 1 93 93 VAL CA C 13 67.177 0.001 . 1 . . 227 . . 93 VAL CA . 28070 1
342 . 1 . 1 93 93 VAL CB C 13 31.433 0.006 . 1 . . 228 . . 93 VAL CB . 28070 1
343 . 1 . 1 93 93 VAL N N 15 120.031 0.009 . 1 . . 16 . . 93 VAL N . 28070 1
344 . 1 . 1 94 94 GLU H H 1 8.281 0.002 . 1 . . 39 . . 94 GLU H . 28070 1
345 . 1 . 1 94 94 GLU CA C 13 59.002 0.001 . 1 . . 230 . . 94 GLU CA . 28070 1
346 . 1 . 1 94 94 GLU CB C 13 29.053 0.003 . 1 . . 229 . . 94 GLU CB . 28070 1
347 . 1 . 1 94 94 GLU N N 15 115.846 0.004 . 1 . . 40 . . 94 GLU N . 28070 1
348 . 1 . 1 95 95 HIS H H 1 7.738 0.001 . 1 . . 89 . . 95 HIS H . 28070 1
349 . 1 . 1 95 95 HIS CA C 13 60.875 0.001 . 1 . . 231 . . 95 HIS CA . 28070 1
350 . 1 . 1 95 95 HIS CB C 13 31.280 0.002 . 1 . . 232 . . 95 HIS CB . 28070 1
351 . 1 . 1 95 95 HIS N N 15 118.826 0.009 . 1 . . 90 . . 95 HIS N . 28070 1
352 . 1 . 1 96 96 TYR H H 1 7.744 0.001 . 1 . . 121 . . 96 TYR H . 28070 1
353 . 1 . 1 96 96 TYR CA C 13 61.191 0.023 . 1 . . 233 . . 96 TYR CA . 28070 1
354 . 1 . 1 96 96 TYR CB C 13 36.964 0.002 . 1 . . 234 . . 96 TYR CB . 28070 1
355 . 1 . 1 96 96 TYR N N 15 117.276 0.004 . 1 . . 122 . . 96 TYR N . 28070 1
356 . 1 . 1 97 97 LYS H H 1 7.756 0.001 . 1 . . 65 . . 97 LYS H . 28070 1
357 . 1 . 1 97 97 LYS CA C 13 58.809 0.002 . 1 . . 236 . . 97 LYS CA . 28070 1
358 . 1 . 1 97 97 LYS CB C 13 33.204 0.002 . 1 . . 235 . . 97 LYS CB . 28070 1
359 . 1 . 1 97 97 LYS N N 15 119.141 0.006 . 1 . . 66 . . 97 LYS N . 28070 1
360 . 1 . 1 98 98 LYS H H 1 7.000 0.001 . 1 . . 25 . . 98 LYS H . 28070 1
361 . 1 . 1 98 98 LYS CA C 13 56.608 0.007 . 1 . . 238 . . 98 LYS CA . 28070 1
362 . 1 . 1 98 98 LYS CB C 13 34.412 0.003 . 1 . . 237 . . 98 LYS CB . 28070 1
363 . 1 . 1 98 98 LYS N N 15 116.153 0.004 . 1 . . 26 . . 98 LYS N . 28070 1
364 . 1 . 1 99 99 ASN H H 1 7.624 0.0 . 1 . . 97 . . 99 ASN H . 28070 1
365 . 1 . 1 99 99 ASN CA C 13 50.638 . . 1 . . 421 . . 99 ASN CA . 28070 1
366 . 1 . 1 99 99 ASN CB C 13 40.902 . . 1 . . 422 . . 99 ASN CB . 28070 1
367 . 1 . 1 99 99 ASN N N 15 118.341 0.004 . 1 . . 98 . . 99 ASN N . 28070 1
368 . 1 . 1 100 100 PRO CA C 13 62.932 . . 1 . . 439 . . 100 PRO CA . 28070 1
369 . 1 . 1 100 100 PRO CB C 13 32.544 . . 1 . . 440 . . 100 PRO CB . 28070 1
370 . 1 . 1 101 101 MET H H 1 8.713 0.001 . 1 . . 119 . . 101 MET H . 28070 1
371 . 1 . 1 101 101 MET CA C 13 55.231 0.002 . 1 . . 389 . . 101 MET CA . 28070 1
372 . 1 . 1 101 101 MET CB C 13 35.062 0.001 . 1 . . 390 . . 101 MET CB . 28070 1
373 . 1 . 1 101 101 MET N N 15 121.307 0.004 . 1 . . 120 . . 101 MET N . 28070 1
374 . 1 . 1 102 102 VAL H H 1 8.249 0.001 . 1 . . 91 . . 102 VAL H . 28070 1
375 . 1 . 1 102 102 VAL CA C 13 62.069 0.0 . 1 . . 380 . . 102 VAL CA . 28070 1
376 . 1 . 1 102 102 VAL CB C 13 32.663 0.002 . 1 . . 381 . . 102 VAL CB . 28070 1
377 . 1 . 1 102 102 VAL N N 15 123.194 0.007 . 1 . . 92 . . 102 VAL N . 28070 1
378 . 1 . 1 103 103 GLU H H 1 8.696 0.002 . 1 . . 161 . . 103 GLU H . 28070 1
379 . 1 . 1 103 103 GLU CA C 13 56.676 0.009 . 1 . . 383 . . 103 GLU CA . 28070 1
380 . 1 . 1 103 103 GLU CB C 13 30.612 0.003 . 1 . . 382 . . 103 GLU CB . 28070 1
381 . 1 . 1 103 103 GLU N N 15 126.174 0.004 . 1 . . 162 . . 103 GLU N . 28070 1
382 . 1 . 1 104 104 THR H H 1 8.298 0.002 . 1 . . 101 . . 104 THR H . 28070 1
383 . 1 . 1 104 104 THR CA C 13 64.454 0.001 . 1 . . 385 . . 104 THR CA . 28070 1
384 . 1 . 1 104 104 THR CB C 13 69.504 0.004 . 1 . . 384 . . 104 THR CB . 28070 1
385 . 1 . 1 104 104 THR N N 15 115.772 0.015 . 1 . . 102 . . 104 THR N . 28070 1
386 . 1 . 1 105 105 LEU H H 1 8.356 0.003 . 1 . . 123 . . 105 LEU H . 28070 1
387 . 1 . 1 105 105 LEU CA C 13 55.899 0.003 . 1 . . 386 . . 105 LEU CA . 28070 1
388 . 1 . 1 105 105 LEU CB C 13 41.184 0.006 . 1 . . 387 . . 105 LEU CB . 28070 1
389 . 1 . 1 105 105 LEU N N 15 120.589 0.01 . 1 . . 124 . . 105 LEU N . 28070 1
390 . 1 . 1 106 106 GLY H H 1 8.308 0.001 . 1 . . 37 . . 106 GLY H . 28070 1
391 . 1 . 1 106 106 GLY CA C 13 45.558 0.002 . 1 . . 388 . . 106 GLY CA . 28070 1
392 . 1 . 1 106 106 GLY N N 15 107.918 0.003 . 1 . . 38 . . 106 GLY N . 28070 1
393 . 1 . 1 107 107 THR H H 1 7.848 0.001 . 1 . . 63 . . 107 THR H . 28070 1
394 . 1 . 1 107 107 THR CA C 13 62.079 0.0 . 1 . . 349 . . 107 THR CA . 28070 1
395 . 1 . 1 107 107 THR CB C 13 69.913 0.0 . 1 . . 350 . . 107 THR CB . 28070 1
396 . 1 . 1 107 107 THR N N 15 115.365 0.003 . 1 . . 64 . . 107 THR N . 28070 1
397 . 1 . 1 108 108 VAL H H 1 8.369 0.001 . 1 . . 103 . . 108 VAL H . 28070 1
398 . 1 . 1 108 108 VAL CA C 13 61.820 0.033 . 1 . . 352 . . 108 VAL CA . 28070 1
399 . 1 . 1 108 108 VAL CB C 13 33.131 0.005 . 1 . . 351 . . 108 VAL CB . 28070 1
400 . 1 . 1 108 108 VAL N N 15 123.018 0.007 . 1 . . 104 . . 108 VAL N . 28070 1
401 . 1 . 1 109 109 LEU H H 1 8.917 0.001 . 1 . . 131 . . 109 LEU H . 28070 1
402 . 1 . 1 109 109 LEU CA C 13 53.824 0.004 . 1 . . 354 . . 109 LEU CA . 28070 1
403 . 1 . 1 109 109 LEU CB C 13 43.739 0.003 . 1 . . 353 . . 109 LEU CB . 28070 1
404 . 1 . 1 109 109 LEU N N 15 128.092 0.002 . 1 . . 132 . . 109 LEU N . 28070 1
405 . 1 . 1 110 110 GLN H H 1 7.979 0.001 . 1 . . 149 . . 110 GLN H . 28070 1
406 . 1 . 1 110 110 GLN CA C 13 54.671 0.003 . 1 . . 356 . . 110 GLN CA . 28070 1
407 . 1 . 1 110 110 GLN CB C 13 31.110 0.003 . 1 . . 355 . . 110 GLN CB . 28070 1
408 . 1 . 1 110 110 GLN N N 15 122.393 0.005 . 1 . . 150 . . 110 GLN N . 28070 1
409 . 1 . 1 111 111 LEU H H 1 8.463 0.002 . 1 . . 51 . . 111 LEU H . 28070 1
410 . 1 . 1 111 111 LEU CA C 13 54.759 0.069 . 1 . . 318 . . 111 LEU CA . 28070 1
411 . 1 . 1 111 111 LEU CB C 13 40.439 0.003 . 1 . . 319 . . 111 LEU CB . 28070 1
412 . 1 . 1 111 111 LEU N N 15 124.557 0.007 . 1 . . 52 . . 111 LEU N . 28070 1
413 . 1 . 1 112 112 LYS H H 1 9.119 0.001 . 1 . . 203 . . 112 LYS H . 28070 1
414 . 1 . 1 112 112 LYS CA C 13 57.113 0.002 . 1 . . 320 . . 112 LYS CA . 28070 1
415 . 1 . 1 112 112 LYS CB C 13 33.290 0.003 . 1 . . 321 . . 112 LYS CB . 28070 1
416 . 1 . 1 112 112 LYS N N 15 121.881 0.003 . 1 . . 204 . . 112 LYS N . 28070 1
417 . 1 . 1 113 113 GLN H H 1 7.543 0.001 . 1 . . 47 . . 113 GLN H . 28070 1
418 . 1 . 1 113 113 GLN CA C 13 53.349 . . 1 . . 423 . . 113 GLN CA . 28070 1
419 . 1 . 1 113 113 GLN CB C 13 29.207 . . 1 . . 424 . . 113 GLN CB . 28070 1
420 . 1 . 1 113 113 GLN N N 15 115.813 0.006 . 1 . . 48 . . 113 GLN N . 28070 1
421 . 1 . 1 114 114 PRO CA C 13 61.619 . . 1 . . 441 . . 114 PRO CA . 28070 1
422 . 1 . 1 114 114 PRO CB C 13 32.824 . . 1 . . 442 . . 114 PRO CB . 28070 1
423 . 1 . 1 115 115 LEU H H 1 8.609 0.001 . 1 . . 7 . . 115 LEU H . 28070 1
424 . 1 . 1 115 115 LEU CA C 13 54.034 0.004 . 1 . . 263 . . 115 LEU CA . 28070 1
425 . 1 . 1 115 115 LEU CB C 13 41.662 0.002 . 1 . . 262 . . 115 LEU CB . 28070 1
426 . 1 . 1 115 115 LEU N N 15 125.758 0.003 . 1 . . 8 . . 115 LEU N . 28070 1
427 . 1 . 1 116 116 ASN H H 1 8.511 0.002 . 1 . . 19 . . 116 ASN H . 28070 1
428 . 1 . 1 116 116 ASN CA C 13 52.955 0.002 . 1 . . 265 . . 116 ASN CA . 28070 1
429 . 1 . 1 116 116 ASN CB C 13 39.649 0.007 . 1 . . 264 . . 116 ASN CB . 28070 1
430 . 1 . 1 116 116 ASN N N 15 124.925 0.011 . 1 . . 20 . . 116 ASN N . 28070 1
431 . 1 . 1 117 117 THR H H 1 8.561 0.002 . 1 . . 93 . . 117 THR H . 28070 1
432 . 1 . 1 117 117 THR CA C 13 61.552 0.005 . 1 . . 266 . . 117 THR CA . 28070 1
433 . 1 . 1 117 117 THR CB C 13 69.763 0.001 . 1 . . 267 . . 117 THR CB . 28070 1
434 . 1 . 1 117 117 THR N N 15 113.737 0.006 . 1 . . 94 . . 117 THR N . 28070 1
435 . 1 . 1 118 118 THR H H 1 8.246 0.001 . 1 . . 77 . . 118 THR H . 28070 1
436 . 1 . 1 118 118 THR CA C 13 61.839 0.024 . 1 . . 269 . . 118 THR CA . 28070 1
437 . 1 . 1 118 118 THR CB C 13 69.751 0.012 . 1 . . 268 . . 118 THR CB . 28070 1
438 . 1 . 1 118 118 THR N N 15 115.197 0.003 . 1 . . 78 . . 118 THR N . 28070 1
439 . 1 . 1 119 119 ARG H H 1 7.890 0.001 . 1 . . 187 . . 119 ARG H . 28070 1
440 . 1 . 1 119 119 ARG CA C 13 57.601 . . 1 . . 425 . . 119 ARG CA . 28070 1
441 . 1 . 1 119 119 ARG CB C 13 31.504 . . 1 . . 426 . . 119 ARG CB . 28070 1
442 . 1 . 1 119 119 ARG N N 15 128.214 0.003 . 1 . . 188 . . 119 ARG N . 28070 1
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