###################################
# 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 34617
_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 .
_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 '3D HNCA' . . . 34617 1
2 '3D HN(CO)CA' . . . 34617 1
3 '3D HNCO' . . . 34617 1
4 '3D HN(CA)CO' . . . 34617 1
5 '3D CBCA(CO)NH' . . . 34617 1
6 '3D HNCACB' . . . 34617 1
7 '3D (H)CCONNH' . . . 34617 1
8 '3D HCCH-TOCSY' . . . 34617 1
9 '3D 1H-13C NOESY aliphatic' . . . 34617 1
10 '3D 1H-15N NOESY' . . . 34617 1
11 '2D 1H-13C HSQC' . . . 34617 1
12 '2D 1H-15N HSQC' . . . 34617 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 10 10 ALA H H 1 8.1625 0.015 . . . . . . A 452 ALA H . 34617 1
2 . 1 . 1 10 10 ALA HA H 1 4.1906 0.020 . . . . . . A 452 ALA HA . 34617 1
3 . 1 . 1 10 10 ALA HB1 H 1 1.2991 0.002 . . . . . . A 452 ALA HB1 . 34617 1
4 . 1 . 1 10 10 ALA HB2 H 1 1.2991 0.002 . . . . . . A 452 ALA HB2 . 34617 1
5 . 1 . 1 10 10 ALA HB3 H 1 1.2991 0.002 . . . . . . A 452 ALA HB3 . 34617 1
6 . 1 . 1 10 10 ALA C C 13 177.7185 0.001 . . . . . . A 452 ALA C . 34617 1
7 . 1 . 1 10 10 ALA CA C 13 52.8092 0.071 . . . . . . A 452 ALA CA . 34617 1
8 . 1 . 1 10 10 ALA CB C 13 19.0115 0.073 . . . . . . A 452 ALA CB . 34617 1
9 . 1 . 1 10 10 ALA N N 15 124.1291 0.093 . . . . . . A 452 ALA N . 34617 1
10 . 1 . 1 11 11 HIS H H 1 8.1328 0.002 . . . . . . A 453 HIS H . 34617 1
11 . 1 . 1 11 11 HIS C C 13 175.7913 0.006 . . . . . . A 453 HIS C . 34617 1
12 . 1 . 1 11 11 HIS CA C 13 55.6549 0.036 . . . . . . A 453 HIS CA . 34617 1
13 . 1 . 1 11 11 HIS CB C 13 29.3274 0.001 . . . . . . A 453 HIS CB . 34617 1
14 . 1 . 1 11 11 HIS N N 15 118.8916 0.011 . . . . . . A 453 HIS N . 34617 1
15 . 1 . 1 12 12 LEU H H 1 8.1136 0.002 . . . . . . A 454 LEU H . 34617 1
16 . 1 . 1 12 12 LEU CA C 13 55.0779 0.020 . . . . . . A 454 LEU CA . 34617 1
17 . 1 . 1 12 12 LEU CB C 13 42.2974 0.020 . . . . . . A 454 LEU CB . 34617 1
18 . 1 . 1 12 12 LEU N N 15 123.7259 0.009 . . . . . . A 454 LEU N . 34617 1
19 . 1 . 1 13 13 THR H H 1 8.5962 0.006 . . . . . . A 455 THR H . 34617 1
20 . 1 . 1 13 13 THR HG21 H 1 1.2862 0.002 . . . . . . A 455 THR HG21 . 34617 1
21 . 1 . 1 13 13 THR HG22 H 1 1.2862 0.002 . . . . . . A 455 THR HG22 . 34617 1
22 . 1 . 1 13 13 THR HG23 H 1 1.2862 0.002 . . . . . . A 455 THR HG23 . 34617 1
23 . 1 . 1 13 13 THR C C 13 175.3052 0.014 . . . . . . A 455 THR C . 34617 1
24 . 1 . 1 13 13 THR CA C 13 62.2003 0.056 . . . . . . A 455 THR CA . 34617 1
25 . 1 . 1 13 13 THR CB C 13 70.3832 0.027 . . . . . . A 455 THR CB . 34617 1
26 . 1 . 1 13 13 THR CG2 C 13 21.8254 0.010 . . . . . . A 455 THR CG2 . 34617 1
27 . 1 . 1 13 13 THR N N 15 113.8947 0.033 . . . . . . A 455 THR N . 34617 1
28 . 1 . 1 14 14 ARG H H 1 8.5262 0.004 . . . . . . A 456 ARG H . 34617 1
29 . 1 . 1 14 14 ARG C C 13 178.9294 0.006 . . . . . . A 456 ARG C . 34617 1
30 . 1 . 1 14 14 ARG CA C 13 59.4615 0.049 . . . . . . A 456 ARG CA . 34617 1
31 . 1 . 1 14 14 ARG CB C 13 29.9904 0.031 . . . . . . A 456 ARG CB . 34617 1
32 . 1 . 1 14 14 ARG N N 15 121.0394 0.047 . . . . . . A 456 ARG N . 34617 1
33 . 1 . 1 15 15 ASP H H 1 8.4387 0.005 . . . . . . A 457 ASP H . 34617 1
34 . 1 . 1 15 15 ASP HA H 1 4.4472 0.009 . . . . . . A 457 ASP HA . 34617 1
35 . 1 . 1 15 15 ASP HB2 H 1 2.5794 0.006 . . . . . . A 457 ASP HB2 . 34617 1
36 . 1 . 1 15 15 ASP HB3 H 1 2.4022 0.006 . . . . . . A 457 ASP HB3 . 34617 1
37 . 1 . 1 15 15 ASP C C 13 177.9939 0.013 . . . . . . A 457 ASP C . 34617 1
38 . 1 . 1 15 15 ASP CA C 13 57.8771 0.034 . . . . . . A 457 ASP CA . 34617 1
39 . 1 . 1 15 15 ASP CB C 13 40.4674 0.031 . . . . . . A 457 ASP CB . 34617 1
40 . 1 . 1 15 15 ASP N N 15 119.1094 0.030 . . . . . . A 457 ASP N . 34617 1
41 . 1 . 1 16 16 GLU H H 1 8.0209 0.007 . . . . . . A 458 GLU H . 34617 1
42 . 1 . 1 16 16 GLU HA H 1 3.9784 0.004 . . . . . . A 458 GLU HA . 34617 1
43 . 1 . 1 16 16 GLU HB2 H 1 2.3034 0.016 . . . . . . A 458 GLU HB2 . 34617 1
44 . 1 . 1 16 16 GLU HB3 H 1 2.3034 0.016 . . . . . . A 458 GLU HB3 . 34617 1
45 . 1 . 1 16 16 GLU C C 13 179.7131 0.005 . . . . . . A 458 GLU C . 34617 1
46 . 1 . 1 16 16 GLU CA C 13 59.5090 0.039 . . . . . . A 458 GLU CA . 34617 1
47 . 1 . 1 16 16 GLU CB C 13 30.1337 0.050 . . . . . . A 458 GLU CB . 34617 1
48 . 1 . 1 16 16 GLU N N 15 119.9416 0.027 . . . . . . A 458 GLU N . 34617 1
49 . 1 . 1 17 17 LEU H H 1 8.2271 0.003 . . . . . . A 459 LEU H . 34617 1
50 . 1 . 1 17 17 LEU HA H 1 4.0105 0.005 . . . . . . A 459 LEU HA . 34617 1
51 . 1 . 1 17 17 LEU HB2 H 1 1.8886 0.006 . . . . . . A 459 LEU HB2 . 34617 1
52 . 1 . 1 17 17 LEU HB3 H 1 1.8886 0.006 . . . . . . A 459 LEU HB3 . 34617 1
53 . 1 . 1 17 17 LEU CA C 13 58.0391 0.040 . . . . . . A 459 LEU CA . 34617 1
54 . 1 . 1 17 17 LEU CB C 13 41.6931 0.040 . . . . . . A 459 LEU CB . 34617 1
55 . 1 . 1 17 17 LEU N N 15 120.6784 0.054 . . . . . . A 459 LEU N . 34617 1
56 . 1 . 1 18 18 ARG C C 13 178.2752 0.050 . . . . . . A 460 ARG C . 34617 1
57 . 1 . 1 18 18 ARG CA C 13 58.9762 0.050 . . . . . . A 460 ARG CA . 34617 1
58 . 1 . 1 18 18 ARG CB C 13 30.6160 0.050 . . . . . . A 460 ARG CB . 34617 1
59 . 1 . 1 19 19 ALA H H 1 8.3556 0.003 . . . . . . A 461 ALA H . 34617 1
60 . 1 . 1 19 19 ALA HA H 1 3.8266 0.003 . . . . . . A 461 ALA HA . 34617 1
61 . 1 . 1 19 19 ALA HB1 H 1 1.3359 0.008 . . . . . . A 461 ALA HB1 . 34617 1
62 . 1 . 1 19 19 ALA HB2 H 1 1.3359 0.008 . . . . . . A 461 ALA HB2 . 34617 1
63 . 1 . 1 19 19 ALA HB3 H 1 1.3359 0.008 . . . . . . A 461 ALA HB3 . 34617 1
64 . 1 . 1 19 19 ALA C C 13 179.3739 0.002 . . . . . . A 461 ALA C . 34617 1
65 . 1 . 1 19 19 ALA CA C 13 55.0663 0.017 . . . . . . A 461 ALA CA . 34617 1
66 . 1 . 1 19 19 ALA CB C 13 17.4349 0.041 . . . . . . A 461 ALA CB . 34617 1
67 . 1 . 1 19 19 ALA N N 15 121.2484 0.023 . . . . . . A 461 ALA N . 34617 1
68 . 1 . 1 20 20 LYS H H 1 7.8720 0.008 . . . . . . A 462 LYS H . 34617 1
69 . 1 . 1 20 20 LYS HA H 1 4.0913 0.003 . . . . . . A 462 LYS HA . 34617 1
70 . 1 . 1 20 20 LYS HB2 H 1 1.8629 0.003 . . . . . . A 462 LYS HB2 . 34617 1
71 . 1 . 1 20 20 LYS HB3 H 1 1.8629 0.003 . . . . . . A 462 LYS HB3 . 34617 1
72 . 1 . 1 20 20 LYS HG2 H 1 1.5297 0.003 . . . . . . A 462 LYS HG2 . 34617 1
73 . 1 . 1 20 20 LYS HG3 H 1 1.3862 0.003 . . . . . . A 462 LYS HG3 . 34617 1
74 . 1 . 1 20 20 LYS C C 13 180.6946 0.030 . . . . . . A 462 LYS C . 34617 1
75 . 1 . 1 20 20 LYS CA C 13 58.9107 0.021 . . . . . . A 462 LYS CA . 34617 1
76 . 1 . 1 20 20 LYS CB C 13 32.4041 0.011 . . . . . . A 462 LYS CB . 34617 1
77 . 1 . 1 20 20 LYS CG C 13 25.0153 0.024 . . . . . . A 462 LYS CG . 34617 1
78 . 1 . 1 20 20 LYS N N 15 118.3291 0.054 . . . . . . A 462 LYS N . 34617 1
79 . 1 . 1 21 21 ALA H H 1 7.9250 0.009 . . . . . . A 463 ALA H . 34617 1
80 . 1 . 1 21 21 ALA HA H 1 4.0160 0.005 . . . . . . A 463 ALA HA . 34617 1
81 . 1 . 1 21 21 ALA HB1 H 1 1.4638 0.020 . . . . . . A 463 ALA HB1 . 34617 1
82 . 1 . 1 21 21 ALA HB2 H 1 1.4638 0.020 . . . . . . A 463 ALA HB2 . 34617 1
83 . 1 . 1 21 21 ALA HB3 H 1 1.4638 0.020 . . . . . . A 463 ALA HB3 . 34617 1
84 . 1 . 1 21 21 ALA C C 13 178.7801 0.050 . . . . . . A 463 ALA C . 34617 1
85 . 1 . 1 21 21 ALA CA C 13 54.5461 0.068 . . . . . . A 463 ALA CA . 34617 1
86 . 1 . 1 21 21 ALA CB C 13 17.9008 0.055 . . . . . . A 463 ALA CB . 34617 1
87 . 1 . 1 21 21 ALA N N 15 123.3049 0.070 . . . . . . A 463 ALA N . 34617 1
88 . 1 . 1 22 22 LEU H H 1 7.3234 0.012 . . . . . . A 464 LEU H . 34617 1
89 . 1 . 1 22 22 LEU HA H 1 4.3052 0.009 . . . . . . A 464 LEU HA . 34617 1
90 . 1 . 1 22 22 LEU HB2 H 1 1.7266 0.009 . . . . . . A 464 LEU HB2 . 34617 1
91 . 1 . 1 22 22 LEU HB3 H 1 1.7266 0.009 . . . . . . A 464 LEU HB3 . 34617 1
92 . 1 . 1 22 22 LEU HD11 H 1 0.7793 0.005 . . . . . . A 464 LEU HD11 . 34617 1
93 . 1 . 1 22 22 LEU HD12 H 1 0.7793 0.005 . . . . . . A 464 LEU HD12 . 34617 1
94 . 1 . 1 22 22 LEU HD13 H 1 0.7793 0.005 . . . . . . A 464 LEU HD13 . 34617 1
95 . 1 . 1 22 22 LEU HD21 H 1 0.7765 0.002 . . . . . . A 464 LEU HD21 . 34617 1
96 . 1 . 1 22 22 LEU HD22 H 1 0.7765 0.002 . . . . . . A 464 LEU HD22 . 34617 1
97 . 1 . 1 22 22 LEU HD23 H 1 0.7765 0.002 . . . . . . A 464 LEU HD23 . 34617 1
98 . 1 . 1 22 22 LEU C C 13 176.1620 0.021 . . . . . . A 464 LEU C . 34617 1
99 . 1 . 1 22 22 LEU CA C 13 54.0867 0.054 . . . . . . A 464 LEU CA . 34617 1
100 . 1 . 1 22 22 LEU CB C 13 42.0127 0.090 . . . . . . A 464 LEU CB . 34617 1
101 . 1 . 1 22 22 LEU CD1 C 13 26.0482 0.020 . . . . . . A 464 LEU CD1 . 34617 1
102 . 1 . 1 22 22 LEU CD2 C 13 23.4176 0.020 . . . . . . A 464 LEU CD2 . 34617 1
103 . 1 . 1 22 22 LEU N N 15 115.0308 0.016 . . . . . . A 464 LEU N . 34617 1
104 . 1 . 1 23 23 HIS H H 1 7.8713 0.008 . . . . . . A 465 HIS H . 34617 1
105 . 1 . 1 23 23 HIS C C 13 174.3403 0.002 . . . . . . A 465 HIS C . 34617 1
106 . 1 . 1 23 23 HIS CA C 13 56.0189 0.035 . . . . . . A 465 HIS CA . 34617 1
107 . 1 . 1 23 23 HIS CB C 13 26.0146 0.047 . . . . . . A 465 HIS CB . 34617 1
108 . 1 . 1 23 23 HIS N N 15 115.6351 0.030 . . . . . . A 465 HIS N . 34617 1
109 . 1 . 1 24 24 ILE H H 1 8.0715 0.005 . . . . . . A 466 ILE H . 34617 1
110 . 1 . 1 24 24 ILE HA H 1 4.1380 0.009 . . . . . . A 466 ILE HA . 34617 1
111 . 1 . 1 24 24 ILE HB H 1 1.8614 0.004 . . . . . . A 466 ILE HB . 34617 1
112 . 1 . 1 24 24 ILE HD11 H 1 0.7451 0.007 . . . . . . A 466 ILE HD11 . 34617 1
113 . 1 . 1 24 24 ILE HD12 H 1 0.7451 0.007 . . . . . . A 466 ILE HD12 . 34617 1
114 . 1 . 1 24 24 ILE HD13 H 1 0.7451 0.007 . . . . . . A 466 ILE HD13 . 34617 1
115 . 1 . 1 24 24 ILE CA C 13 57.9624 0.035 . . . . . . A 466 ILE CA . 34617 1
116 . 1 . 1 24 24 ILE CB C 13 37.0710 0.047 . . . . . . A 466 ILE CB . 34617 1
117 . 1 . 1 24 24 ILE CD1 C 13 12.4018 0.099 . . . . . . A 466 ILE CD1 . 34617 1
118 . 1 . 1 24 24 ILE N N 15 119.8653 0.023 . . . . . . A 466 ILE N . 34617 1
119 . 1 . 1 25 25 PRO C C 13 175.1869 0.050 . . . . . . A 467 PRO C . 34617 1
120 . 1 . 1 25 25 PRO CA C 13 64.2678 0.050 . . . . . . A 467 PRO CA . 34617 1
121 . 1 . 1 25 25 PRO CB C 13 31.3599 0.050 . . . . . . A 467 PRO CB . 34617 1
122 . 1 . 1 26 26 PHE H H 1 6.2691 0.007 . . . . . . A 468 PHE H . 34617 1
123 . 1 . 1 26 26 PHE HA H 1 5.1722 0.005 . . . . . . A 468 PHE HA . 34617 1
124 . 1 . 1 26 26 PHE HB2 H 1 3.1855 0.005 . . . . . . A 468 PHE HB2 . 34617 1
125 . 1 . 1 26 26 PHE HB3 H 1 2.6309 0.005 . . . . . . A 468 PHE HB3 . 34617 1
126 . 1 . 1 26 26 PHE CA C 13 52.8894 0.058 . . . . . . A 468 PHE CA . 34617 1
127 . 1 . 1 26 26 PHE CB C 13 39.5848 0.050 . . . . . . A 468 PHE CB . 34617 1
128 . 1 . 1 26 26 PHE N N 15 118.1707 0.039 . . . . . . A 468 PHE N . 34617 1
129 . 1 . 1 27 27 PRO C C 13 178.4177 0.050 . . . . . . A 469 PRO C . 34617 1
130 . 1 . 1 27 27 PRO CA C 13 62.2282 0.050 . . . . . . A 469 PRO CA . 34617 1
131 . 1 . 1 27 27 PRO CB C 13 32.4334 0.050 . . . . . . A 469 PRO CB . 34617 1
132 . 1 . 1 28 28 VAL H H 1 9.0384 0.005 . . . . . . A 470 VAL H . 34617 1
133 . 1 . 1 28 28 VAL HA H 1 3.5160 0.002 . . . . . . A 470 VAL HA . 34617 1
134 . 1 . 1 28 28 VAL HB H 1 2.0499 0.002 . . . . . . A 470 VAL HB . 34617 1
135 . 1 . 1 28 28 VAL HG11 H 1 0.9280 0.016 . . . . . . A 470 VAL HG11 . 34617 1
136 . 1 . 1 28 28 VAL HG12 H 1 0.9280 0.016 . . . . . . A 470 VAL HG12 . 34617 1
137 . 1 . 1 28 28 VAL HG13 H 1 0.9280 0.016 . . . . . . A 470 VAL HG13 . 34617 1
138 . 1 . 1 28 28 VAL HG21 H 1 0.9145 0.009 . . . . . . A 470 VAL HG21 . 34617 1
139 . 1 . 1 28 28 VAL HG22 H 1 0.9145 0.009 . . . . . . A 470 VAL HG22 . 34617 1
140 . 1 . 1 28 28 VAL HG23 H 1 0.9145 0.009 . . . . . . A 470 VAL HG23 . 34617 1
141 . 1 . 1 28 28 VAL C C 13 177.3357 0.050 . . . . . . A 470 VAL C . 34617 1
142 . 1 . 1 28 28 VAL CA C 13 66.8987 0.058 . . . . . . A 470 VAL CA . 34617 1
143 . 1 . 1 28 28 VAL CB C 13 31.4093 0.024 . . . . . . A 470 VAL CB . 34617 1
144 . 1 . 1 28 28 VAL CG1 C 13 22.7763 0.010 . . . . . . A 470 VAL CG1 . 34617 1
145 . 1 . 1 28 28 VAL CG2 C 13 22.0556 0.010 . . . . . . A 470 VAL CG2 . 34617 1
146 . 1 . 1 28 28 VAL N N 15 124.5545 0.016 . . . . . . A 470 VAL N . 34617 1
147 . 1 . 1 29 29 GLU H H 1 9.0406 0.004 . . . . . . A 471 GLU H . 34617 1
148 . 1 . 1 29 29 GLU HA H 1 3.8977 0.001 . . . . . . A 471 GLU HA . 34617 1
149 . 1 . 1 29 29 GLU HG2 H 1 2.2139 0.020 . . . . . . A 471 GLU HG2 . 34617 1
150 . 1 . 1 29 29 GLU HG3 H 1 2.2139 0.020 . . . . . . A 471 GLU HG3 . 34617 1
151 . 1 . 1 29 29 GLU C C 13 178.3236 0.009 . . . . . . A 471 GLU C . 34617 1
152 . 1 . 1 29 29 GLU CA C 13 59.7081 0.002 . . . . . . A 471 GLU CA . 34617 1
153 . 1 . 1 29 29 GLU CB C 13 28.9928 0.002 . . . . . . A 471 GLU CB . 34617 1
154 . 1 . 1 29 29 GLU CG C 13 36.2390 0.020 . . . . . . A 471 GLU CG . 34617 1
155 . 1 . 1 29 29 GLU N N 15 117.5551 0.106 . . . . . . A 471 GLU N . 34617 1
156 . 1 . 1 30 30 LYS H H 1 7.0672 0.005 . . . . . . A 472 LYS H . 34617 1
157 . 1 . 1 30 30 LYS HA H 1 4.1460 0.007 . . . . . . A 472 LYS HA . 34617 1
158 . 1 . 1 30 30 LYS HG2 H 1 1.5272 0.005 . . . . . . A 472 LYS HG2 . 34617 1
159 . 1 . 1 30 30 LYS HG3 H 1 1.3188 0.005 . . . . . . A 472 LYS HG3 . 34617 1
160 . 1 . 1 30 30 LYS C C 13 177.7672 0.007 . . . . . . A 472 LYS C . 34617 1
161 . 1 . 1 30 30 LYS CA C 13 58.3961 0.042 . . . . . . A 472 LYS CA . 34617 1
162 . 1 . 1 30 30 LYS CB C 13 32.7177 0.002 . . . . . . A 472 LYS CB . 34617 1
163 . 1 . 1 30 30 LYS CG C 13 25.6780 0.003 . . . . . . A 472 LYS CG . 34617 1
164 . 1 . 1 30 30 LYS N N 15 117.0631 0.026 . . . . . . A 472 LYS N . 34617 1
165 . 1 . 1 31 31 ILE H H 1 7.3571 0.006 . . . . . . A 473 ILE H . 34617 1
166 . 1 . 1 31 31 ILE HA H 1 3.4652 0.017 . . . . . . A 473 ILE HA . 34617 1
167 . 1 . 1 31 31 ILE HD11 H 1 0.7063 0.015 . . . . . . A 473 ILE HD11 . 34617 1
168 . 1 . 1 31 31 ILE HD12 H 1 0.7063 0.015 . . . . . . A 473 ILE HD12 . 34617 1
169 . 1 . 1 31 31 ILE HD13 H 1 0.7063 0.015 . . . . . . A 473 ILE HD13 . 34617 1
170 . 1 . 1 31 31 ILE C C 13 176.7869 0.040 . . . . . . A 473 ILE C . 34617 1
171 . 1 . 1 31 31 ILE CA C 13 65.3039 0.053 . . . . . . A 473 ILE CA . 34617 1
172 . 1 . 1 31 31 ILE CD1 C 13 14.2019 0.030 . . . . . . A 473 ILE CD1 . 34617 1
173 . 1 . 1 31 31 ILE N N 15 116.9992 0.024 . . . . . . A 473 ILE N . 34617 1
174 . 1 . 1 32 32 ILE H H 1 7.7577 0.005 . . . . . . A 474 ILE H . 34617 1
175 . 1 . 1 32 32 ILE HA H 1 3.4787 0.007 . . . . . . A 474 ILE HA . 34617 1
176 . 1 . 1 32 32 ILE C C 13 176.7401 0.040 . . . . . . A 474 ILE C . 34617 1
177 . 1 . 1 32 32 ILE CA C 13 65.3750 0.033 . . . . . . A 474 ILE CA . 34617 1
178 . 1 . 1 32 32 ILE N N 15 114.8523 0.080 . . . . . . A 474 ILE N . 34617 1
179 . 1 . 1 33 33 ASN H H 1 7.6049 0.003 . . . . . . A 475 ASN H . 34617 1
180 . 1 . 1 33 33 ASN HA H 1 4.6001 0.006 . . . . . . A 475 ASN HA . 34617 1
181 . 1 . 1 33 33 ASN HB2 H 1 2.7106 0.020 . . . . . . A 475 ASN HB2 . 34617 1
182 . 1 . 1 33 33 ASN HB3 H 1 2.7869 0.020 . . . . . . A 475 ASN HB3 . 34617 1
183 . 1 . 1 33 33 ASN C C 13 176.8280 0.040 . . . . . . A 475 ASN C . 34617 1
184 . 1 . 1 33 33 ASN CA C 13 54.5228 0.040 . . . . . . A 475 ASN CA . 34617 1
185 . 1 . 1 33 33 ASN CB C 13 40.1103 0.040 . . . . . . A 475 ASN CB . 34617 1
186 . 1 . 1 33 33 ASN N N 15 113.0083 0.065 . . . . . . A 475 ASN N . 34617 1
187 . 1 . 1 34 34 LEU H H 1 7.7354 0.004 . . . . . . A 476 LEU H . 34617 1
188 . 1 . 1 34 34 LEU HA H 1 4.4937 0.017 . . . . . . A 476 LEU HA . 34617 1
189 . 1 . 1 34 34 LEU HG H 1 2.0154 0.015 . . . . . . A 476 LEU HG . 34617 1
190 . 1 . 1 34 34 LEU HD11 H 1 0.8130 0.010 . . . . . . A 476 LEU HD11 . 34617 1
191 . 1 . 1 34 34 LEU HD12 H 1 0.8130 0.010 . . . . . . A 476 LEU HD12 . 34617 1
192 . 1 . 1 34 34 LEU HD13 H 1 0.8130 0.010 . . . . . . A 476 LEU HD13 . 34617 1
193 . 1 . 1 34 34 LEU C C 13 175.7913 0.040 . . . . . . A 476 LEU C . 34617 1
194 . 1 . 1 34 34 LEU CA C 13 54.5166 0.015 . . . . . . A 476 LEU CA . 34617 1
195 . 1 . 1 34 34 LEU CB C 13 42.7848 0.020 . . . . . . A 476 LEU CB . 34617 1
196 . 1 . 1 34 34 LEU CD1 C 13 26.8352 0.020 . . . . . . A 476 LEU CD1 . 34617 1
197 . 1 . 1 34 34 LEU N N 15 121.9056 0.032 . . . . . . A 476 LEU N . 34617 1
198 . 1 . 1 35 35 PRO C C 13 176.5480 0.030 . . . . . . A 477 PRO C . 34617 1
199 . 1 . 1 35 35 PRO CA C 13 62.6087 0.060 . . . . . . A 477 PRO CA . 34617 1
200 . 1 . 1 35 35 PRO CB C 13 32.8184 0.030 . . . . . . A 477 PRO CB . 34617 1
201 . 1 . 1 36 36 VAL H H 1 8.5921 0.004 . . . . . . A 478 VAL H . 34617 1
202 . 1 . 1 36 36 VAL HA H 1 3.6080 0.009 . . . . . . A 478 VAL HA . 34617 1
203 . 1 . 1 36 36 VAL HB H 1 2.0554 0.003 . . . . . . A 478 VAL HB . 34617 1
204 . 1 . 1 36 36 VAL HG11 H 1 0.9800 0.020 . . . . . . A 478 VAL HG11 . 34617 1
205 . 1 . 1 36 36 VAL HG12 H 1 0.9800 0.020 . . . . . . A 478 VAL HG12 . 34617 1
206 . 1 . 1 36 36 VAL HG13 H 1 0.9800 0.020 . . . . . . A 478 VAL HG13 . 34617 1
207 . 1 . 1 36 36 VAL HG21 H 1 1.0670 0.030 . . . . . . A 478 VAL HG21 . 34617 1
208 . 1 . 1 36 36 VAL HG22 H 1 1.0670 0.030 . . . . . . A 478 VAL HG22 . 34617 1
209 . 1 . 1 36 36 VAL HG23 H 1 1.0670 0.030 . . . . . . A 478 VAL HG23 . 34617 1
210 . 1 . 1 36 36 VAL C C 13 176.8486 0.040 . . . . . . A 478 VAL C . 34617 1
211 . 1 . 1 36 36 VAL CA C 13 67.4128 0.054 . . . . . . A 478 VAL CA . 34617 1
212 . 1 . 1 36 36 VAL CB C 13 31.9450 0.040 . . . . . . A 478 VAL CB . 34617 1
213 . 1 . 1 36 36 VAL CG1 C 13 20.4664 0.050 . . . . . . A 478 VAL CG1 . 34617 1
214 . 1 . 1 36 36 VAL CG2 C 13 22.7849 0.050 . . . . . . A 478 VAL CG2 . 34617 1
215 . 1 . 1 36 36 VAL N N 15 122.9330 0.039 . . . . . . A 478 VAL N . 34617 1
216 . 1 . 1 37 37 VAL H H 1 8.4258 0.004 . . . . . . A 479 VAL H . 34617 1
217 . 1 . 1 37 37 VAL HA H 1 3.8702 0.017 . . . . . . A 479 VAL HA . 34617 1
218 . 1 . 1 37 37 VAL HB H 1 2.0141 0.009 . . . . . . A 479 VAL HB . 34617 1
219 . 1 . 1 37 37 VAL HG11 H 1 1.0262 0.005 . . . . . . A 479 VAL HG11 . 34617 1
220 . 1 . 1 37 37 VAL HG12 H 1 1.0262 0.005 . . . . . . A 479 VAL HG12 . 34617 1
221 . 1 . 1 37 37 VAL HG13 H 1 1.0262 0.005 . . . . . . A 479 VAL HG13 . 34617 1
222 . 1 . 1 37 37 VAL HG21 H 1 0.9313 0.005 . . . . . . A 479 VAL HG21 . 34617 1
223 . 1 . 1 37 37 VAL HG22 H 1 0.9313 0.005 . . . . . . A 479 VAL HG22 . 34617 1
224 . 1 . 1 37 37 VAL HG23 H 1 0.9313 0.005 . . . . . . A 479 VAL HG23 . 34617 1
225 . 1 . 1 37 37 VAL C C 13 178.0242 0.004 . . . . . . A 479 VAL C . 34617 1
226 . 1 . 1 37 37 VAL CA C 13 66.3708 0.052 . . . . . . A 479 VAL CA . 34617 1
227 . 1 . 1 37 37 VAL CB C 13 31.4656 0.045 . . . . . . A 479 VAL CB . 34617 1
228 . 1 . 1 37 37 VAL CG1 C 13 21.9699 0.057 . . . . . . A 479 VAL CG1 . 34617 1
229 . 1 . 1 37 37 VAL CG2 C 13 20.7089 0.029 . . . . . . A 479 VAL CG2 . 34617 1
230 . 1 . 1 37 37 VAL N N 15 118.2649 0.037 . . . . . . A 479 VAL N . 34617 1
231 . 1 . 1 38 38 ASP H H 1 7.0373 0.004 . . . . . . A 480 ASP H . 34617 1
232 . 1 . 1 38 38 ASP HA H 1 4.4226 0.010 . . . . . . A 480 ASP HA . 34617 1
233 . 1 . 1 38 38 ASP CA C 13 56.8085 0.055 . . . . . . A 480 ASP CA . 34617 1
234 . 1 . 1 38 38 ASP CB C 13 41.5844 0.050 . . . . . . A 480 ASP CB . 34617 1
235 . 1 . 1 38 38 ASP N N 15 119.8663 0.021 . . . . . . A 480 ASP N . 34617 1
236 . 1 . 1 39 39 PHE H H 1 8.9995 0.014 . . . . . . A 481 PHE H . 34617 1
237 . 1 . 1 39 39 PHE HA H 1 3.9507 0.009 . . . . . . A 481 PHE HA . 34617 1
238 . 1 . 1 39 39 PHE HB2 H 1 2.8872 0.016 . . . . . . A 481 PHE HB2 . 34617 1
239 . 1 . 1 39 39 PHE HB3 H 1 3.0811 0.018 . . . . . . A 481 PHE HB3 . 34617 1
240 . 1 . 1 39 39 PHE HD1 H 1 7.0596 0.024 . . . . . . A 481 PHE HD1 . 34617 1
241 . 1 . 1 39 39 PHE HD2 H 1 7.0596 0.024 . . . . . . A 481 PHE HD2 . 34617 1
242 . 1 . 1 39 39 PHE C C 13 176.0753 0.002 . . . . . . A 481 PHE C . 34617 1
243 . 1 . 1 39 39 PHE CA C 13 61.6353 0.068 . . . . . . A 481 PHE CA . 34617 1
244 . 1 . 1 39 39 PHE CB C 13 39.0982 0.060 . . . . . . A 481 PHE CB . 34617 1
245 . 1 . 1 39 39 PHE N N 15 123.5309 0.028 . . . . . . A 481 PHE N . 34617 1
246 . 1 . 1 40 40 ASN H H 1 8.8984 0.006 . . . . . . A 482 ASN H . 34617 1
247 . 1 . 1 40 40 ASN HA H 1 4.0911 0.020 . . . . . . A 482 ASN HA . 34617 1
248 . 1 . 1 40 40 ASN HB2 H 1 2.7412 0.016 . . . . . . A 482 ASN HB2 . 34617 1
249 . 1 . 1 40 40 ASN HB3 H 1 2.8944 0.016 . . . . . . A 482 ASN HB3 . 34617 1
250 . 1 . 1 40 40 ASN HD21 H 1 6.8295 0.002 . . . . . . A 482 ASN HD21 . 34617 1
251 . 1 . 1 40 40 ASN HD22 H 1 7.6800 0.002 . . . . . . A 482 ASN HD22 . 34617 1
252 . 1 . 1 40 40 ASN C C 13 178.7193 0.009 . . . . . . A 482 ASN C . 34617 1
253 . 1 . 1 40 40 ASN CA C 13 55.6713 0.028 . . . . . . A 482 ASN CA . 34617 1
254 . 1 . 1 40 40 ASN CB C 13 36.9861 0.031 . . . . . . A 482 ASN CB . 34617 1
255 . 1 . 1 40 40 ASN N N 15 118.4245 0.029 . . . . . . A 482 ASN N . 34617 1
256 . 1 . 1 40 40 ASN ND2 N 15 111.2755 0.002 . . . . . . A 482 ASN ND2 . 34617 1
257 . 1 . 1 41 41 GLU H H 1 7.8135 0.018 . . . . . . A 483 GLU H . 34617 1
258 . 1 . 1 41 41 GLU C C 13 178.7978 0.040 . . . . . . A 483 GLU C . 34617 1
259 . 1 . 1 41 41 GLU CA C 13 59.4140 0.040 . . . . . . A 483 GLU CA . 34617 1
260 . 1 . 1 41 41 GLU CB C 13 29.3167 0.058 . . . . . . A 483 GLU CB . 34617 1
261 . 1 . 1 41 41 GLU N N 15 121.1485 0.018 . . . . . . A 483 GLU N . 34617 1
262 . 1 . 1 42 42 MET H H 1 7.7932 0.005 . . . . . . A 484 MET H . 34617 1
263 . 1 . 1 42 42 MET HA H 1 3.9359 0.023 . . . . . . A 484 MET HA . 34617 1
264 . 1 . 1 42 42 MET HE1 H 1 1.4012 0.012 . . . . . . A 484 MET HE1 . 34617 1
265 . 1 . 1 42 42 MET HE2 H 1 1.4012 0.012 . . . . . . A 484 MET HE2 . 34617 1
266 . 1 . 1 42 42 MET HE3 H 1 1.4012 0.012 . . . . . . A 484 MET HE3 . 34617 1
267 . 1 . 1 42 42 MET C C 13 178.3670 0.004 . . . . . . A 484 MET C . 34617 1
268 . 1 . 1 42 42 MET CA C 13 59.1886 0.060 . . . . . . A 484 MET CA . 34617 1
269 . 1 . 1 42 42 MET CB C 13 32.5492 0.017 . . . . . . A 484 MET CB . 34617 1
270 . 1 . 1 42 42 MET CE C 13 16.7249 0.040 . . . . . . A 484 MET CE . 34617 1
271 . 1 . 1 42 42 MET N N 15 121.0840 0.056 . . . . . . A 484 MET N . 34617 1
272 . 1 . 1 43 43 MET H H 1 7.8783 0.005 . . . . . . A 485 MET H . 34617 1
273 . 1 . 1 43 43 MET HA H 1 4.2285 0.009 . . . . . . A 485 MET HA . 34617 1
274 . 1 . 1 43 43 MET HE1 H 1 1.8389 0.004 . . . . . . A 485 MET HE1 . 34617 1
275 . 1 . 1 43 43 MET HE2 H 1 1.8389 0.004 . . . . . . A 485 MET HE2 . 34617 1
276 . 1 . 1 43 43 MET HE3 H 1 1.8389 0.004 . . . . . . A 485 MET HE3 . 34617 1
277 . 1 . 1 43 43 MET C C 13 178.6214 0.004 . . . . . . A 485 MET C . 34617 1
278 . 1 . 1 43 43 MET CA C 13 56.4686 0.057 . . . . . . A 485 MET CA . 34617 1
279 . 1 . 1 43 43 MET CB C 13 31.4084 0.028 . . . . . . A 485 MET CB . 34617 1
280 . 1 . 1 43 43 MET CE C 13 17.3124 0.023 . . . . . . A 485 MET CE . 34617 1
281 . 1 . 1 43 43 MET N N 15 115.8578 0.005 . . . . . . A 485 MET N . 34617 1
282 . 1 . 1 44 44 SER H H 1 7.6380 0.013 . . . . . . A 486 SER H . 34617 1
283 . 1 . 1 44 44 SER HA H 1 4.2942 0.006 . . . . . . A 486 SER HA . 34617 1
284 . 1 . 1 44 44 SER HB2 H 1 3.9728 0.009 . . . . . . A 486 SER HB2 . 34617 1
285 . 1 . 1 44 44 SER HB3 H 1 3.9728 0.009 . . . . . . A 486 SER HB3 . 34617 1
286 . 1 . 1 44 44 SER C C 13 175.1695 0.040 . . . . . . A 486 SER C . 34617 1
287 . 1 . 1 44 44 SER CA C 13 60.4963 0.077 . . . . . . A 486 SER CA . 34617 1
288 . 1 . 1 44 44 SER CB C 13 63.5939 0.083 . . . . . . A 486 SER CB . 34617 1
289 . 1 . 1 44 44 SER N N 15 113.1615 0.023 . . . . . . A 486 SER N . 34617 1
290 . 1 . 1 45 45 LYS H H 1 7.3452 0.007 . . . . . . A 487 LYS H . 34617 1
291 . 1 . 1 45 45 LYS C C 13 176.4754 0.007 . . . . . . A 487 LYS C . 34617 1
292 . 1 . 1 45 45 LYS CA C 13 56.8303 0.036 . . . . . . A 487 LYS CA . 34617 1
293 . 1 . 1 45 45 LYS CB C 13 33.1961 0.040 . . . . . . A 487 LYS CB . 34617 1
294 . 1 . 1 45 45 LYS CG C 13 25.1084 0.040 . . . . . . A 487 LYS CG . 34617 1
295 . 1 . 1 45 45 LYS N N 15 119.6837 0.033 . . . . . . A 487 LYS N . 34617 1
296 . 1 . 1 46 46 GLU H H 1 7.4201 0.011 . . . . . . A 488 GLU H . 34617 1
297 . 1 . 1 46 46 GLU HA H 1 4.2443 0.014 . . . . . . A 488 GLU HA . 34617 1
298 . 1 . 1 46 46 GLU CA C 13 54.6685 0.030 . . . . . . A 488 GLU CA . 34617 1
299 . 1 . 1 46 46 GLU N N 15 117.4607 0.016 . . . . . . A 488 GLU N . 34617 1
300 . 1 . 1 47 47 GLN H H 1 8.1894 0.004 . . . . . . A 489 GLN H . 34617 1
301 . 1 . 1 47 47 GLN C C 13 174.9964 0.015 . . . . . . A 489 GLN C . 34617 1
302 . 1 . 1 47 47 GLN CA C 13 54.7061 0.040 . . . . . . A 489 GLN CA . 34617 1
303 . 1 . 1 47 47 GLN CB C 13 28.8496 0.040 . . . . . . A 489 GLN CB . 34617 1
304 . 1 . 1 47 47 GLN N N 15 119.6703 0.067 . . . . . . A 489 GLN N . 34617 1
305 . 1 . 1 48 48 PHE H H 1 8.1870 0.003 . . . . . . A 490 PHE H . 34617 1
306 . 1 . 1 48 48 PHE HA H 1 5.1226 0.005 . . . . . . A 490 PHE HA . 34617 1
307 . 1 . 1 48 48 PHE HB2 H 1 3.2761 0.008 . . . . . . A 490 PHE HB2 . 34617 1
308 . 1 . 1 48 48 PHE HB3 H 1 2.6890 0.008 . . . . . . A 490 PHE HB3 . 34617 1
309 . 1 . 1 48 48 PHE HD1 H 1 7.2342 0.010 . . . . . . A 490 PHE HD1 . 34617 1
310 . 1 . 1 48 48 PHE HD2 H 1 7.2342 0.010 . . . . . . A 490 PHE HD2 . 34617 1
311 . 1 . 1 48 48 PHE C C 13 176.1951 0.045 . . . . . . A 490 PHE C . 34617 1
312 . 1 . 1 48 48 PHE CA C 13 56.2876 0.080 . . . . . . A 490 PHE CA . 34617 1
313 . 1 . 1 48 48 PHE CB C 13 41.6034 0.074 . . . . . . A 490 PHE CB . 34617 1
314 . 1 . 1 48 48 PHE N N 15 121.9059 0.036 . . . . . . A 490 PHE N . 34617 1
315 . 1 . 1 49 49 ASN H H 1 9.0840 0.006 . . . . . . A 491 ASN H . 34617 1
316 . 1 . 1 49 49 ASN C C 13 175.5357 0.001 . . . . . . A 491 ASN C . 34617 1
317 . 1 . 1 49 49 ASN CA C 13 51.3394 0.002 . . . . . . A 491 ASN CA . 34617 1
318 . 1 . 1 49 49 ASN CB C 13 38.9170 0.052 . . . . . . A 491 ASN CB . 34617 1
319 . 1 . 1 49 49 ASN N N 15 118.7365 0.030 . . . . . . A 491 ASN N . 34617 1
320 . 1 . 1 50 50 GLU H H 1 8.6321 0.007 . . . . . . A 492 GLU H . 34617 1
321 . 1 . 1 50 50 GLU HA H 1 3.9660 0.005 . . . . . . A 492 GLU HA . 34617 1
322 . 1 . 1 50 50 GLU HB2 H 1 2.0370 0.003 . . . . . . A 492 GLU HB2 . 34617 1
323 . 1 . 1 50 50 GLU HB3 H 1 2.0370 0.003 . . . . . . A 492 GLU HB3 . 34617 1
324 . 1 . 1 50 50 GLU HG2 H 1 2.3688 0.006 . . . . . . A 492 GLU HG2 . 34617 1
325 . 1 . 1 50 50 GLU HG3 H 1 2.3449 0.006 . . . . . . A 492 GLU HG3 . 34617 1
326 . 1 . 1 50 50 GLU C C 13 178.7149 0.007 . . . . . . A 492 GLU C . 34617 1
327 . 1 . 1 50 50 GLU CA C 13 60.2536 0.054 . . . . . . A 492 GLU CA . 34617 1
328 . 1 . 1 50 50 GLU CB C 13 29.4088 0.099 . . . . . . A 492 GLU CB . 34617 1
329 . 1 . 1 50 50 GLU CG C 13 36.4452 0.081 . . . . . . A 492 GLU CG . 34617 1
330 . 1 . 1 50 50 GLU N N 15 117.0986 0.033 . . . . . . A 492 GLU N . 34617 1
331 . 1 . 1 51 51 ALA H H 1 8.2430 0.005 . . . . . . A 493 ALA H . 34617 1
332 . 1 . 1 51 51 ALA HA H 1 4.1660 0.006 . . . . . . A 493 ALA HA . 34617 1
333 . 1 . 1 51 51 ALA HB1 H 1 1.4290 0.004 . . . . . . A 493 ALA HB1 . 34617 1
334 . 1 . 1 51 51 ALA HB2 H 1 1.4290 0.004 . . . . . . A 493 ALA HB2 . 34617 1
335 . 1 . 1 51 51 ALA HB3 H 1 1.4290 0.004 . . . . . . A 493 ALA HB3 . 34617 1
336 . 1 . 1 51 51 ALA C C 13 181.2584 0.012 . . . . . . A 493 ALA C . 34617 1
337 . 1 . 1 51 51 ALA CA C 13 55.1165 0.057 . . . . . . A 493 ALA CA . 34617 1
338 . 1 . 1 51 51 ALA CB C 13 18.1540 0.046 . . . . . . A 493 ALA CB . 34617 1
339 . 1 . 1 51 51 ALA N N 15 123.4747 0.034 . . . . . . A 493 ALA N . 34617 1
340 . 1 . 1 52 52 GLN H H 1 8.6350 0.005 . . . . . . A 494 GLN H . 34617 1
341 . 1 . 1 52 52 GLN HA H 1 3.7648 0.014 . . . . . . A 494 GLN HA . 34617 1
342 . 1 . 1 52 52 GLN HB2 H 1 1.4213 0.010 . . . . . . A 494 GLN HB2 . 34617 1
343 . 1 . 1 52 52 GLN HB3 H 1 2.5943 0.010 . . . . . . A 494 GLN HB3 . 34617 1
344 . 1 . 1 52 52 GLN HG2 H 1 2.2229 0.004 . . . . . . A 494 GLN HG2 . 34617 1
345 . 1 . 1 52 52 GLN HG3 H 1 2.9251 0.004 . . . . . . A 494 GLN HG3 . 34617 1
346 . 1 . 1 52 52 GLN C C 13 177.8459 0.007 . . . . . . A 494 GLN C . 34617 1
347 . 1 . 1 52 52 GLN CA C 13 59.3686 0.029 . . . . . . A 494 GLN CA . 34617 1
348 . 1 . 1 52 52 GLN CB C 13 29.5447 0.042 . . . . . . A 494 GLN CB . 34617 1
349 . 1 . 1 52 52 GLN CG C 13 35.1503 0.006 . . . . . . A 494 GLN CG . 34617 1
350 . 1 . 1 52 52 GLN N N 15 118.4072 0.029 . . . . . . A 494 GLN N . 34617 1
351 . 1 . 1 53 53 LEU H H 1 8.5114 0.004 . . . . . . A 495 LEU H . 34617 1
352 . 1 . 1 53 53 LEU HB2 H 1 1.7663 0.003 . . . . . . A 495 LEU HB2 . 34617 1
353 . 1 . 1 53 53 LEU HB3 H 1 1.4112 0.004 . . . . . . A 495 LEU HB3 . 34617 1
354 . 1 . 1 53 53 LEU HD11 H 1 0.8938 0.002 . . . . . . A 495 LEU HD11 . 34617 1
355 . 1 . 1 53 53 LEU HD12 H 1 0.8938 0.002 . . . . . . A 495 LEU HD12 . 34617 1
356 . 1 . 1 53 53 LEU HD13 H 1 0.8938 0.002 . . . . . . A 495 LEU HD13 . 34617 1
357 . 1 . 1 53 53 LEU HD21 H 1 0.8938 0.002 . . . . . . A 495 LEU HD21 . 34617 1
358 . 1 . 1 53 53 LEU HD22 H 1 0.8938 0.002 . . . . . . A 495 LEU HD22 . 34617 1
359 . 1 . 1 53 53 LEU HD23 H 1 0.8938 0.002 . . . . . . A 495 LEU HD23 . 34617 1
360 . 1 . 1 53 53 LEU C C 13 178.7231 0.002 . . . . . . A 495 LEU C . 34617 1
361 . 1 . 1 53 53 LEU CA C 13 58.0814 0.015 . . . . . . A 495 LEU CA . 34617 1
362 . 1 . 1 53 53 LEU CB C 13 42.0514 0.047 . . . . . . A 495 LEU CB . 34617 1
363 . 1 . 1 53 53 LEU CD1 C 13 24.0492 0.040 . . . . . . A 495 LEU CD1 . 34617 1
364 . 1 . 1 53 53 LEU CD2 C 13 25.0236 0.040 . . . . . . A 495 LEU CD2 . 34617 1
365 . 1 . 1 53 53 LEU N N 15 118.1691 0.033 . . . . . . A 495 LEU N . 34617 1
366 . 1 . 1 54 54 ALA H H 1 8.1112 0.011 . . . . . . A 496 ALA H . 34617 1
367 . 1 . 1 54 54 ALA C C 13 180.3523 0.002 . . . . . . A 496 ALA C . 34617 1
368 . 1 . 1 54 54 ALA CA C 13 55.0664 0.034 . . . . . . A 496 ALA CA . 34617 1
369 . 1 . 1 54 54 ALA CB C 13 17.8875 0.036 . . . . . . A 496 ALA CB . 34617 1
370 . 1 . 1 54 54 ALA N N 15 120.1176 0.036 . . . . . . A 496 ALA N . 34617 1
371 . 1 . 1 55 55 LEU H H 1 7.4207 0.007 . . . . . . A 497 LEU H . 34617 1
372 . 1 . 1 55 55 LEU HA H 1 4.1997 0.005 . . . . . . A 497 LEU HA . 34617 1
373 . 1 . 1 55 55 LEU HB2 H 1 1.5201 0.002 . . . . . . A 497 LEU HB2 . 34617 1
374 . 1 . 1 55 55 LEU HB3 H 1 1.7883 0.002 . . . . . . A 497 LEU HB3 . 34617 1
375 . 1 . 1 55 55 LEU HD11 H 1 0.7662 0.005 . . . . . . A 497 LEU HD11 . 34617 1
376 . 1 . 1 55 55 LEU HD12 H 1 0.7662 0.005 . . . . . . A 497 LEU HD12 . 34617 1
377 . 1 . 1 55 55 LEU HD13 H 1 0.7662 0.005 . . . . . . A 497 LEU HD13 . 34617 1
378 . 1 . 1 55 55 LEU C C 13 178.2878 0.002 . . . . . . A 497 LEU C . 34617 1
379 . 1 . 1 55 55 LEU CA C 13 57.8097 0.034 . . . . . . A 497 LEU CA . 34617 1
380 . 1 . 1 55 55 LEU CB C 13 40.9261 0.065 . . . . . . A 497 LEU CB . 34617 1
381 . 1 . 1 55 55 LEU CD1 C 13 26.5717 0.030 . . . . . . A 497 LEU CD1 . 34617 1
382 . 1 . 1 55 55 LEU N N 15 118.9990 0.045 . . . . . . A 497 LEU N . 34617 1
383 . 1 . 1 56 56 ILE H H 1 8.2074 0.011 . . . . . . A 498 ILE H . 34617 1
384 . 1 . 1 56 56 ILE HA H 1 3.3365 0.012 . . . . . . A 498 ILE HA . 34617 1
385 . 1 . 1 56 56 ILE HB H 1 1.7987 0.021 . . . . . . A 498 ILE HB . 34617 1
386 . 1 . 1 56 56 ILE HG12 H 1 0.7175 0.002 . . . . . . A 498 ILE HG12 . 34617 1
387 . 1 . 1 56 56 ILE HG13 H 1 1.7866 0.002 . . . . . . A 498 ILE HG13 . 34617 1
388 . 1 . 1 56 56 ILE HG21 H 1 1.0919 0.002 . . . . . . A 498 ILE HG21 . 34617 1
389 . 1 . 1 56 56 ILE HG22 H 1 1.0919 0.002 . . . . . . A 498 ILE HG22 . 34617 1
390 . 1 . 1 56 56 ILE HG23 H 1 1.0919 0.002 . . . . . . A 498 ILE HG23 . 34617 1
391 . 1 . 1 56 56 ILE HD11 H 1 0.2404 0.009 . . . . . . A 498 ILE HD11 . 34617 1
392 . 1 . 1 56 56 ILE HD12 H 1 0.2404 0.009 . . . . . . A 498 ILE HD12 . 34617 1
393 . 1 . 1 56 56 ILE HD13 H 1 0.2404 0.009 . . . . . . A 498 ILE HD13 . 34617 1
394 . 1 . 1 56 56 ILE C C 13 177.2936 0.030 . . . . . . A 498 ILE C . 34617 1
395 . 1 . 1 56 56 ILE CA C 13 66.7002 0.063 . . . . . . A 498 ILE CA . 34617 1
396 . 1 . 1 56 56 ILE CB C 13 38.2617 0.069 . . . . . . A 498 ILE CB . 34617 1
397 . 1 . 1 56 56 ILE CG1 C 13 30.5923 0.025 . . . . . . A 498 ILE CG1 . 34617 1
398 . 1 . 1 56 56 ILE CG2 C 13 17.9375 0.047 . . . . . . A 498 ILE CG2 . 34617 1
399 . 1 . 1 56 56 ILE CD1 C 13 13.7965 0.066 . . . . . . A 498 ILE CD1 . 34617 1
400 . 1 . 1 56 56 ILE N N 15 119.0678 0.032 . . . . . . A 498 ILE N . 34617 1
401 . 1 . 1 57 57 ARG H H 1 8.3234 0.005 . . . . . . A 499 ARG H . 34617 1
402 . 1 . 1 57 57 ARG HA H 1 3.8608 0.003 . . . . . . A 499 ARG HA . 34617 1
403 . 1 . 1 57 57 ARG HG2 H 1 1.8672 0.006 . . . . . . A 499 ARG HG2 . 34617 1
404 . 1 . 1 57 57 ARG HG3 H 1 1.5900 0.006 . . . . . . A 499 ARG HG3 . 34617 1
405 . 1 . 1 57 57 ARG C C 13 178.7994 0.040 . . . . . . A 499 ARG C . 34617 1
406 . 1 . 1 57 57 ARG CA C 13 59.9710 0.040 . . . . . . A 499 ARG CA . 34617 1
407 . 1 . 1 57 57 ARG CB C 13 30.1060 0.033 . . . . . . A 499 ARG CB . 34617 1
408 . 1 . 1 57 57 ARG CG C 13 28.3530 0.068 . . . . . . A 499 ARG CG . 34617 1
409 . 1 . 1 57 57 ARG CD C 13 43.7529 0.030 . . . . . . A 499 ARG CD . 34617 1
410 . 1 . 1 57 57 ARG N N 15 116.7825 0.023 . . . . . . A 499 ARG N . 34617 1
411 . 1 . 1 58 58 ASP H H 1 7.8083 0.006 . . . . . . A 500 ASP H . 34617 1
412 . 1 . 1 58 58 ASP HA H 1 4.3871 0.005 . . . . . . A 500 ASP HA . 34617 1
413 . 1 . 1 58 58 ASP HB2 H 1 2.7883 0.005 . . . . . . A 500 ASP HB2 . 34617 1
414 . 1 . 1 58 58 ASP HB3 H 1 2.7883 0.005 . . . . . . A 500 ASP HB3 . 34617 1
415 . 1 . 1 58 58 ASP C C 13 178.0095 0.021 . . . . . . A 500 ASP C . 34617 1
416 . 1 . 1 58 58 ASP CA C 13 57.7301 0.060 . . . . . . A 500 ASP CA . 34617 1
417 . 1 . 1 58 58 ASP CB C 13 42.0297 0.044 . . . . . . A 500 ASP CB . 34617 1
418 . 1 . 1 58 58 ASP N N 15 120.6195 0.041 . . . . . . A 500 ASP N . 34617 1
419 . 1 . 1 59 59 ILE H H 1 8.5100 0.017 . . . . . . A 501 ILE H . 34617 1
420 . 1 . 1 59 59 ILE HA H 1 3.4583 0.003 . . . . . . A 501 ILE HA . 34617 1
421 . 1 . 1 59 59 ILE HD11 H 1 0.8989 0.005 . . . . . . A 501 ILE HD11 . 34617 1
422 . 1 . 1 59 59 ILE HD12 H 1 0.8989 0.005 . . . . . . A 501 ILE HD12 . 34617 1
423 . 1 . 1 59 59 ILE HD13 H 1 0.8989 0.005 . . . . . . A 501 ILE HD13 . 34617 1
424 . 1 . 1 59 59 ILE C C 13 178.6746 0.019 . . . . . . A 501 ILE C . 34617 1
425 . 1 . 1 59 59 ILE CA C 13 65.3840 0.060 . . . . . . A 501 ILE CA . 34617 1
426 . 1 . 1 59 59 ILE CB C 13 38.2700 0.040 . . . . . . A 501 ILE CB . 34617 1
427 . 1 . 1 59 59 ILE CD1 C 13 13.8577 0.040 . . . . . . A 501 ILE CD1 . 34617 1
428 . 1 . 1 59 59 ILE N N 15 119.2399 0.059 . . . . . . A 501 ILE N . 34617 1
429 . 1 . 1 60 60 ARG H H 1 8.1864 0.004 . . . . . . A 502 ARG H . 34617 1
430 . 1 . 1 60 60 ARG HA H 1 3.6346 0.006 . . . . . . A 502 ARG HA . 34617 1
431 . 1 . 1 60 60 ARG C C 13 177.7410 0.009 . . . . . . A 502 ARG C . 34617 1
432 . 1 . 1 60 60 ARG CA C 13 58.9211 0.048 . . . . . . A 502 ARG CA . 34617 1
433 . 1 . 1 60 60 ARG N N 15 118.8759 0.057 . . . . . . A 502 ARG N . 34617 1
434 . 1 . 1 61 61 ARG H H 1 7.8731 0.007 . . . . . . A 503 ARG H . 34617 1
435 . 1 . 1 61 61 ARG C C 13 178.3037 0.040 . . . . . . A 503 ARG C . 34617 1
436 . 1 . 1 61 61 ARG N N 15 117.8032 0.042 . . . . . . A 503 ARG N . 34617 1
437 . 1 . 1 62 62 ARG HA H 1 4.0197 0.002 . . . . . . A 504 ARG HA . 34617 1
438 . 1 . 1 62 62 ARG HB2 H 1 1.8814 0.007 . . . . . . A 504 ARG HB2 . 34617 1
439 . 1 . 1 62 62 ARG HB3 H 1 1.8814 0.007 . . . . . . A 504 ARG HB3 . 34617 1
440 . 1 . 1 62 62 ARG CA C 13 58.9187 0.085 . . . . . . A 504 ARG CA . 34617 1
441 . 1 . 1 62 62 ARG CB C 13 30.0458 0.075 . . . . . . A 504 ARG CB . 34617 1
442 . 1 . 1 63 63 GLY H H 1 8.0695 0.013 . . . . . . A 505 GLY H . 34617 1
443 . 1 . 1 63 63 GLY HA2 H 1 3.6901 0.008 . . . . . . A 505 GLY HA2 . 34617 1
444 . 1 . 1 63 63 GLY HA3 H 1 3.9320 0.008 . . . . . . A 505 GLY HA3 . 34617 1
445 . 1 . 1 63 63 GLY CA C 13 46.2236 0.055 . . . . . . A 505 GLY CA . 34617 1
446 . 1 . 1 63 63 GLY N N 15 106.9671 0.037 . . . . . . A 505 GLY N . 34617 1
447 . 1 . 1 64 64 LYS H H 1 7.9800 0.008 . . . . . . A 506 LYS H . 34617 1
448 . 1 . 1 64 64 LYS N N 15 120.6400 0.096 . . . . . . A 506 LYS N . 34617 1
449 . 1 . 1 66 66 LYS C C 13 177.0943 0.040 . . . . . . A 508 LYS C . 34617 1
450 . 1 . 1 66 66 LYS CB C 13 32.7266 0.040 . . . . . . A 508 LYS CB . 34617 1
451 . 1 . 1 67 67 VAL H H 1 7.9623 0.009 . . . . . . A 509 VAL H . 34617 1
452 . 1 . 1 67 67 VAL HA H 1 3.9633 0.010 . . . . . . A 509 VAL HA . 34617 1
453 . 1 . 1 67 67 VAL HG11 H 1 0.9104 0.008 . . . . . . A 509 VAL HG11 . 34617 1
454 . 1 . 1 67 67 VAL HG12 H 1 0.9104 0.008 . . . . . . A 509 VAL HG12 . 34617 1
455 . 1 . 1 67 67 VAL HG13 H 1 0.9104 0.008 . . . . . . A 509 VAL HG13 . 34617 1
456 . 1 . 1 67 67 VAL C C 13 176.4613 0.005 . . . . . . A 509 VAL C . 34617 1
457 . 1 . 1 67 67 VAL CA C 13 63.1729 0.071 . . . . . . A 509 VAL CA . 34617 1
458 . 1 . 1 67 67 VAL CB C 13 32.5164 0.070 . . . . . . A 509 VAL CB . 34617 1
459 . 1 . 1 67 67 VAL CG1 C 13 21.0934 0.002 . . . . . . A 509 VAL CG1 . 34617 1
460 . 1 . 1 67 67 VAL N N 15 120.6891 0.036 . . . . . . A 509 VAL N . 34617 1
461 . 1 . 1 68 68 ALA H H 1 8.2267 0.005 . . . . . . A 510 ALA H . 34617 1
462 . 1 . 1 68 68 ALA HB1 H 1 1.3727 0.002 . . . . . . A 510 ALA HB1 . 34617 1
463 . 1 . 1 68 68 ALA HB2 H 1 1.3727 0.002 . . . . . . A 510 ALA HB2 . 34617 1
464 . 1 . 1 68 68 ALA HB3 H 1 1.3727 0.002 . . . . . . A 510 ALA HB3 . 34617 1
465 . 1 . 1 68 68 ALA CA C 13 53.0504 0.051 . . . . . . A 510 ALA CA . 34617 1
466 . 1 . 1 68 68 ALA CB C 13 18.9071 0.002 . . . . . . A 510 ALA CB . 34617 1
467 . 1 . 1 68 68 ALA N N 15 126.6575 0.084 . . . . . . A 510 ALA N . 34617 1
468 . 1 . 1 69 69 ALA H H 1 8.1537 0.005 . . . . . . A 511 ALA H . 34617 1
469 . 1 . 1 69 69 ALA HA H 1 4.2364 0.002 . . . . . . A 511 ALA HA . 34617 1
470 . 1 . 1 69 69 ALA CA C 13 52.8539 0.052 . . . . . . A 511 ALA CA . 34617 1
471 . 1 . 1 69 69 ALA CB C 13 19.0117 0.078 . . . . . . A 511 ALA CB . 34617 1
472 . 1 . 1 69 69 ALA N N 15 122.6850 0.084 . . . . . . A 511 ALA N . 34617 1
473 . 1 . 1 70 70 GLN H H 1 8.2417 0.003 . . . . . . A 512 GLN H . 34617 1
474 . 1 . 1 70 70 GLN N N 15 118.8995 0.043 . . . . . . A 512 GLN N . 34617 1
475 . 1 . 1 76 76 LYS H H 1 8.2998 0.004 . . . . . . A 518 LYS H . 34617 1
476 . 1 . 1 76 76 LYS C C 13 176.4013 0.044 . . . . . . A 518 LYS C . 34617 1
477 . 1 . 1 76 76 LYS CA C 13 56.5207 0.040 . . . . . . A 518 LYS CA . 34617 1
478 . 1 . 1 76 76 LYS CB C 13 32.9793 0.040 . . . . . . A 518 LYS CB . 34617 1
479 . 1 . 1 76 76 LYS N N 15 123.1675 0.024 . . . . . . A 518 LYS N . 34617 1
480 . 1 . 1 77 77 LEU H H 1 8.2751 0.006 . . . . . . A 519 LEU H . 34617 1
481 . 1 . 1 77 77 LEU HA H 1 4.2281 0.005 . . . . . . A 519 LEU HA . 34617 1
482 . 1 . 1 77 77 LEU HB2 H 1 1.5511 0.005 . . . . . . A 519 LEU HB2 . 34617 1
483 . 1 . 1 77 77 LEU HB3 H 1 1.5511 0.005 . . . . . . A 519 LEU HB3 . 34617 1
484 . 1 . 1 77 77 LEU HD11 H 1 0.8050 0.006 . . . . . . A 519 LEU HD11 . 34617 1
485 . 1 . 1 77 77 LEU HD12 H 1 0.8050 0.006 . . . . . . A 519 LEU HD12 . 34617 1
486 . 1 . 1 77 77 LEU HD13 H 1 0.8050 0.006 . . . . . . A 519 LEU HD13 . 34617 1
487 . 1 . 1 77 77 LEU HD21 H 1 0.8050 0.006 . . . . . . A 519 LEU HD21 . 34617 1
488 . 1 . 1 77 77 LEU HD22 H 1 0.8050 0.006 . . . . . . A 519 LEU HD22 . 34617 1
489 . 1 . 1 77 77 LEU HD23 H 1 0.8050 0.006 . . . . . . A 519 LEU HD23 . 34617 1
490 . 1 . 1 77 77 LEU C C 13 177.1793 0.010 . . . . . . A 519 LEU C . 34617 1
491 . 1 . 1 77 77 LEU CA C 13 55.1621 0.051 . . . . . . A 519 LEU CA . 34617 1
492 . 1 . 1 77 77 LEU CB C 13 42.2006 0.069 . . . . . . A 519 LEU CB . 34617 1
493 . 1 . 1 77 77 LEU CD1 C 13 23.4347 0.070 . . . . . . A 519 LEU CD1 . 34617 1
494 . 1 . 1 77 77 LEU CD2 C 13 24.9795 0.070 . . . . . . A 519 LEU CD2 . 34617 1
495 . 1 . 1 77 77 LEU N N 15 123.7386 0.071 . . . . . . A 519 LEU N . 34617 1
496 . 1 . 1 78 78 GLU H H 1 8.3472 0.003 . . . . . . A 520 GLU H . 34617 1
497 . 1 . 1 78 78 GLU C C 13 175.8911 0.002 . . . . . . A 520 GLU C . 34617 1
498 . 1 . 1 78 78 GLU CA C 13 56.4408 0.006 . . . . . . A 520 GLU CA . 34617 1
499 . 1 . 1 78 78 GLU CB C 13 30.4327 0.013 . . . . . . A 520 GLU CB . 34617 1
500 . 1 . 1 78 78 GLU N N 15 121.0205 0.024 . . . . . . A 520 GLU N . 34617 1
501 . 1 . 1 79 79 ASN H H 1 8.4024 0.005 . . . . . . A 521 ASN H . 34617 1
502 . 1 . 1 79 79 ASN HA H 1 4.6592 0.005 . . . . . . A 521 ASN HA . 34617 1
503 . 1 . 1 79 79 ASN C C 13 174.5637 0.003 . . . . . . A 521 ASN C . 34617 1
504 . 1 . 1 79 79 ASN CA C 13 53.2733 0.029 . . . . . . A 521 ASN CA . 34617 1
505 . 1 . 1 79 79 ASN CB C 13 38.8473 0.003 . . . . . . A 521 ASN CB . 34617 1
506 . 1 . 1 79 79 ASN N N 15 119.2593 0.040 . . . . . . A 521 ASN N . 34617 1
507 . 1 . 1 80 80 ILE H H 1 8.0567 0.005 . . . . . . A 522 ILE H . 34617 1
508 . 1 . 1 80 80 ILE HA H 1 4.1475 0.005 . . . . . . A 522 ILE HA . 34617 1
509 . 1 . 1 80 80 ILE HB H 1 1.8312 0.008 . . . . . . A 522 ILE HB . 34617 1
510 . 1 . 1 80 80 ILE HG12 H 1 1.4064 0.010 . . . . . . A 522 ILE HG12 . 34617 1
511 . 1 . 1 80 80 ILE HG21 H 1 1.4064 0.010 . . . . . . A 522 ILE HG21 . 34617 1
512 . 1 . 1 80 80 ILE HG22 H 1 1.4064 0.010 . . . . . . A 522 ILE HG22 . 34617 1
513 . 1 . 1 80 80 ILE HG23 H 1 1.4064 0.010 . . . . . . A 522 ILE HG23 . 34617 1
514 . 1 . 1 80 80 ILE HD11 H 1 0.8140 0.012 . . . . . . A 522 ILE HD11 . 34617 1
515 . 1 . 1 80 80 ILE HD12 H 1 0.8140 0.012 . . . . . . A 522 ILE HD12 . 34617 1
516 . 1 . 1 80 80 ILE HD13 H 1 0.8140 0.012 . . . . . . A 522 ILE HD13 . 34617 1
517 . 1 . 1 80 80 ILE C C 13 175.3150 0.004 . . . . . . A 522 ILE C . 34617 1
518 . 1 . 1 80 80 ILE CA C 13 61.3428 0.016 . . . . . . A 522 ILE CA . 34617 1
519 . 1 . 1 80 80 ILE CB C 13 38.6588 0.092 . . . . . . A 522 ILE CB . 34617 1
520 . 1 . 1 80 80 ILE CG1 C 13 27.0192 0.030 . . . . . . A 522 ILE CG1 . 34617 1
521 . 1 . 1 80 80 ILE CG2 C 13 17.5275 0.030 . . . . . . A 522 ILE CG2 . 34617 1
522 . 1 . 1 80 80 ILE CD1 C 13 12.7433 0.029 . . . . . . A 522 ILE CD1 . 34617 1
523 . 1 . 1 80 80 ILE N N 15 121.6150 0.003 . . . . . . A 522 ILE N . 34617 1
524 . 1 . 1 81 81 VAL H H 1 7.7067 0.003 . . . . . . A 523 VAL H . 34617 1
525 . 1 . 1 81 81 VAL C C 13 180.8808 0.030 . . . . . . A 523 VAL C . 34617 1
526 . 1 . 1 81 81 VAL CA C 13 63.6797 0.030 . . . . . . A 523 VAL CA . 34617 1
527 . 1 . 1 81 81 VAL CB C 13 33.2729 0.030 . . . . . . A 523 VAL CB . 34617 1
528 . 1 . 1 81 81 VAL N N 15 128.3416 0.005 . . . . . . A 523 VAL N . 34617 1
stop_
save_