data_17934
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
AIDA1 PTB domain
;
_BMRB_accession_number 17934
_BMRB_flat_file_name bmr17934.str
_Entry_type original
_Submission_date 2011-09-12
_Accession_date 2011-09-12
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Donaldson Logan . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 672
"13C chemical shifts" 561
"15N chemical shifts" 134
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2014-02-26 update BMRB 'update entry citation'
2012-09-17 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure and peptide binding of the PTB domain from the AIDA1 postsynaptic signaling scaffolding protein.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 23799029
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Smirnova Ekaterina . .
2 Shanbhag Riya . .
3 Kurabi Arwa . .
4 Mobli Mehdi . .
5 Kwan Jamie J. .
6 Donaldson Logan W. .
stop_
_Journal_abbreviation 'PLoS ONE'
_Journal_name_full 'PloS one'
_Journal_volume 8
_Journal_issue 6
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first e65605
_Page_last e65605
_Year 2013
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'AIDA1 PTB domain'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'AIDA1 PTB domain' $AIDA1_PTB
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_AIDA1_PTB
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'AIDA1 PTB domain'
_Molecular_mass 15011.303
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 153
_Mol_residue_sequence
;
STPVQAWQHHPEKLIAQSCD
YKAAYLGSMLIKELRGTEST
QDACAKMRANCQKSTEQMKK
VPTIILSVSAKGVKFIDATN
KNIIAEHEIRNISCAAQDPE
DLSTFAYITKDLKSNHHYCH
VFTAFDVNLAAEIILTLGQA
FEVAYQLALQARK
;
loop_
_Residue_seq_code
_Residue_label
1 SER 2 THR 3 PRO 4 VAL 5 GLN
6 ALA 7 TRP 8 GLN 9 HIS 10 HIS
11 PRO 12 GLU 13 LYS 14 LEU 15 ILE
16 ALA 17 GLN 18 SER 19 CYS 20 ASP
21 TYR 22 LYS 23 ALA 24 ALA 25 TYR
26 LEU 27 GLY 28 SER 29 MET 30 LEU
31 ILE 32 LYS 33 GLU 34 LEU 35 ARG
36 GLY 37 THR 38 GLU 39 SER 40 THR
41 GLN 42 ASP 43 ALA 44 CYS 45 ALA
46 LYS 47 MET 48 ARG 49 ALA 50 ASN
51 CYS 52 GLN 53 LYS 54 SER 55 THR
56 GLU 57 GLN 58 MET 59 LYS 60 LYS
61 VAL 62 PRO 63 THR 64 ILE 65 ILE
66 LEU 67 SER 68 VAL 69 SER 70 ALA
71 LYS 72 GLY 73 VAL 74 LYS 75 PHE
76 ILE 77 ASP 78 ALA 79 THR 80 ASN
81 LYS 82 ASN 83 ILE 84 ILE 85 ALA
86 GLU 87 HIS 88 GLU 89 ILE 90 ARG
91 ASN 92 ILE 93 SER 94 CYS 95 ALA
96 ALA 97 GLN 98 ASP 99 PRO 100 GLU
101 ASP 102 LEU 103 SER 104 THR 105 PHE
106 ALA 107 TYR 108 ILE 109 THR 110 LYS
111 ASP 112 LEU 113 LYS 114 SER 115 ASN
116 HIS 117 HIS 118 TYR 119 CYS 120 HIS
121 VAL 122 PHE 123 THR 124 ALA 125 PHE
126 ASP 127 VAL 128 ASN 129 LEU 130 ALA
131 ALA 132 GLU 133 ILE 134 ILE 135 LEU
136 THR 137 LEU 138 GLY 139 GLN 140 ALA
141 PHE 142 GLU 143 VAL 144 ALA 145 TYR
146 GLN 147 LEU 148 ALA 149 LEU 150 GLN
151 ALA 152 ARG 153 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-09-30
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
BMRB 17428 AIDA1 99.35 189 100.00 100.00 3.17e-107
PDB 2M38 "Ptb Domain Of Aida1" 100.00 153 100.00 100.00 6.38e-109
DBJ BAE87950 "unnamed protein product [Macaca fascicularis]" 81.70 191 98.40 98.40 1.13e-82
GB EDL21516 "mCG122584, isoform CRA_b [Mus musculus]" 81.70 163 97.60 97.60 2.25e-82
GB EDL21517 "mCG122584, isoform CRA_b [Mus musculus]" 81.70 163 97.60 97.60 2.25e-82
GB EDL21518 "mCG122584, isoform CRA_b [Mus musculus]" 81.70 163 97.60 97.60 2.25e-82
GB EDM16964 "rCG48876, isoform CRA_d [Rattus norvegicus]" 81.70 163 97.60 97.60 1.75e-82
GB EDM16965 "rCG48876, isoform CRA_d [Rattus norvegicus]" 81.70 163 97.60 97.60 1.75e-82
REF XP_003126745 "PREDICTED: ankyrin repeat and sterile alpha motif domain-containing protein 1B-like isoform X1 [Sus scrofa]" 69.28 203 97.17 98.11 4.84e-66
REF XP_005658157 "PREDICTED: ankyrin repeat and sterile alpha motif domain-containing protein 1B-like isoform X2 [Sus scrofa]" 69.28 202 97.17 98.11 5.00e-66
REF XP_006077488 "PREDICTED: ankyrin repeat and sterile alpha motif domain-containing protein 1B-like isoform X5 [Bubalus bubalis]" 85.62 541 97.71 97.71 5.69e-82
REF XP_013846696 "PREDICTED: ankyrin repeat and sterile alpha motif domain-containing protein 1B-like isoform X3 [Sus scrofa]" 69.28 177 97.17 98.11 4.63e-66
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$AIDA1_PTB Human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Variant
_Vector_name
$AIDA1_PTB 'recombinant technology' . Escherichia coli BL21 DE3 pET28
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$AIDA1_PTB 0.8 mM 'natural abundance'
'sodium azide' 0.05 % 'natural abundance'
'sodium chloride' 150 mM 'natural abundance'
'sodium phosphate' 20 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 3
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model 'Uniform NMR System'
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 900
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_1H-13C_NOESY_aliphatic_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aliphatic'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_aromatic_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aromatic'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_H(CCO)NH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $sample_1
save_
save_3D_C(CO)NH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $sample_1
save_
save_2D_1H-15N_HSQC_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.15 . M
pH 7.4 . pH
pressure 1 . atm
temperature 273 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D 1H-13C NOESY aliphatic'
'3D 1H-13C NOESY aromatic'
'3D 1H-15N NOESY'
'2D 1H-15N HSQC'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'AIDA1 PTB domain'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 3 3 PRO HA H 4.4070 0.0000 1
2 3 3 PRO HB2 H 1.8380 0.0000 2
3 3 3 PRO HB3 H 2.2580 0.0000 2
4 3 3 PRO HG2 H 1.9760 0.0000 2
5 3 3 PRO HG3 H 1.9760 0.0000 2
6 3 3 PRO HD2 H 3.8950 0.0000 2
7 3 3 PRO HD3 H 3.7240 0.0000 2
8 3 3 PRO C C 176.7640 0.0000 1
9 3 3 PRO CA C 63.2890 0.0000 1
10 3 3 PRO CB C 31.8830 0.0000 1
11 3 3 PRO CG C 27.3710 0.0000 1
12 3 3 PRO CD C 51.2680 0.0000 1
13 4 4 VAL H H 8.0930 0.0000 1
14 4 4 VAL HA H 3.9700 0.0000 1
15 4 4 VAL HB H 1.9200 0.0000 1
16 4 4 VAL HG1 H 0.8200 0.0000 2
17 4 4 VAL HG2 H 0.8700 0.0000 2
18 4 4 VAL C C 176.1730 0.0000 1
19 4 4 VAL CA C 63.2890 0.0000 1
20 4 4 VAL CB C 32.8200 0.0000 1
21 4 4 VAL CG1 C 21.0700 0.0000 1
22 4 4 VAL CG2 C 20.6740 0.0000 1
23 4 4 VAL N N 120.4870 0.0000 1
24 5 5 GLN H H 8.2170 0.0000 1
25 5 5 GLN HA H 4.1870 0.0000 1
26 5 5 GLN HB2 H 1.7000 0.0000 2
27 5 5 GLN HB3 H 1.7820 0.0000 2
28 5 5 GLN HG2 H 2.1900 0.0000 2
29 5 5 GLN HG3 H 2.1900 0.0000 2
30 5 5 GLN C C 176.2320 0.0000 1
31 5 5 GLN CA C 55.3200 0.0000 1
32 5 5 GLN CB C 29.0700 0.0000 1
33 5 5 GLN CG C 33.6860 0.0000 1
34 5 5 GLN N N 123.7190 0.0000 1
35 6 6 ALA H H 8.1470 0.0000 1
36 6 6 ALA HA H 4.2020 0.0000 1
37 6 6 ALA HB H 1.2500 0.0000 1
38 6 6 ALA C C 177.2700 0.0000 1
39 6 6 ALA CA C 52.5080 0.0000 1
40 6 6 ALA CB C 19.0810 0.0000 1
41 6 6 ALA N N 125.1280 0.0000 1
42 7 7 TRP H H 7.8100 0.0000 1
43 7 7 TRP HA H 4.6800 0.0000 1
44 7 7 TRP HB2 H 3.2200 0.0000 2
45 7 7 TRP HB3 H 3.1600 0.0000 2
46 7 7 TRP HD1 H 7.1760 0.0000 1
47 7 7 TRP HE1 H 10.1900 0.0000 1
48 7 7 TRP HE3 H 7.5370 0.0000 1
49 7 7 TRP HZ2 H 7.4090 0.0000 1
50 7 7 TRP HZ3 H 7.0800 0.0000 1
51 7 7 TRP HH2 H 7.1220 0.0000 1
52 7 7 TRP C C 176.4680 0.0000 1
53 7 7 TRP CA C 56.3500 0.0000 1
54 7 7 TRP CB C 29.8500 0.0000 1
55 7 7 TRP CD1 C 126.9370 0.0000 1
56 7 7 TRP CE3 C 120.9390 0.0000 1
57 7 7 TRP CZ2 C 114.4410 0.0000 1
58 7 7 TRP CZ3 C 121.9390 0.0000 1
59 7 7 TRP CH2 C 124.4380 0.0000 1
60 7 7 TRP N N 119.1570 0.0000 1
61 7 7 TRP NE1 N 129.4920 0.0000 1
62 11 11 PRO HA H 4.1140 0.0000 1
63 11 11 PRO HB2 H 1.9320 0.0000 2
64 11 11 PRO HB3 H 2.2470 0.0000 2
65 11 11 PRO HD2 H 2.6400 0.0000 2
66 11 11 PRO HD3 H 2.8600 0.0000 2
67 11 11 PRO C C 177.5750 0.0000 1
68 11 11 PRO CA C 65.1640 0.0000 1
69 11 11 PRO CB C 31.8830 0.0000 1
70 11 11 PRO CG C 27.6440 0.0000 1
71 12 12 GLU H H 9.5600 0.0000 1
72 12 12 GLU HA H 4.1170 0.0000 1
73 12 12 GLU HB2 H 2.0590 0.0000 2
74 12 12 GLU HB3 H 2.0590 0.0000 2
75 12 12 GLU HG2 H 2.3020 0.0000 2
76 12 12 GLU HG3 H 2.3020 0.0000 2
77 12 12 GLU C C 178.1680 0.0000 1
78 12 12 GLU CA C 59.0700 0.0000 1
79 12 12 GLU CB C 29.5390 0.0000 1
80 12 12 GLU CG C 36.4960 0.0000 1
81 12 12 GLU N N 118.7160 0.0000 1
82 13 13 LYS H H 7.9840 0.0000 1
83 13 13 LYS C C 176.4760 0.0000 1
84 13 13 LYS CA C 58.6010 0.0000 1
85 13 13 LYS CB C 32.8200 0.0000 1
86 13 13 LYS N N 120.7780 0.0000 1
87 14 14 LEU HD1 H 0.6900 0.0000 2
88 14 14 LEU HD2 H 0.7000 0.0000 2
89 14 14 LEU CD1 C 24.6500 0.0000 1
90 14 14 LEU CD2 C 25.5500 0.0000 1
91 15 15 ILE HA H 3.8200 0.0000 1
92 15 15 ILE HB H 1.6900 0.0000 1
93 15 15 ILE HG2 H 0.8500 0.0000 1
94 15 15 ILE HD1 H 0.7900 0.0000 1
95 15 15 ILE C C 176.3760 0.0000 1
96 15 15 ILE CA C 63.5700 0.0000 1
97 15 15 ILE CB C 39.3800 0.0000 1
98 15 15 ILE CG2 C 17.1800 0.0000 1
99 15 15 ILE CD1 C 13.2700 0.0000 1
100 16 16 ALA H H 8.0810 0.0000 1
101 16 16 ALA HA H 4.4380 0.0000 1
102 16 16 ALA HB H 1.4380 0.0000 1
103 16 16 ALA C C 177.4940 0.0000 1
104 16 16 ALA CA C 52.9760 0.0000 1
105 16 16 ALA CB C 20.3330 0.0000 1
106 16 16 ALA N N 121.3640 0.0000 1
107 17 17 GLN H H 7.5500 0.0000 1
108 17 17 GLN HA H 4.5730 0.0000 1
109 17 17 GLN HB2 H 2.1010 0.0000 2
110 17 17 GLN HB3 H 2.1010 0.0000 2
111 17 17 GLN HG2 H 2.3570 0.0000 2
112 17 17 GLN HG3 H 2.2580 0.0000 2
113 17 17 GLN C C 173.6320 0.0000 1
114 17 17 GLN CA C 54.8510 0.0000 1
115 17 17 GLN CB C 30.4770 0.0000 1
116 17 17 GLN CG C 33.7540 0.0000 1
117 17 17 GLN N N 118.1090 0.0000 1
118 18 18 SER H H 7.6660 0.0000 1
119 18 18 SER HA H 4.3880 0.0000 1
120 18 18 SER HB2 H 3.7100 0.0000 2
121 18 18 SER HB3 H 3.6600 0.0000 2
122 18 18 SER C C 173.7800 0.0000 1
123 18 18 SER CA C 57.6640 0.0000 1
124 18 18 SER CB C 65.1640 0.0000 1
125 18 18 SER N N 112.3840 0.0000 1
126 19 19 CYS H H 8.8350 0.0000 1
127 19 19 CYS HA H 4.3300 0.0000 1
128 19 19 CYS HB2 H 2.5300 0.0000 2
129 19 19 CYS HB3 H 2.6700 0.0000 2
130 19 19 CYS C C 180.3870 0.0000 1
131 19 19 CYS CA C 58.6010 0.0000 1
132 19 19 CYS CB C 30.0080 0.0000 1
133 19 19 CYS N N 120.1160 0.0000 1
134 20 20 ASP H H 7.8470 0.0000 1
135 20 20 ASP HB2 H 2.1900 0.0000 2
136 20 20 ASP HB3 H 2.4000 0.0000 2
137 20 20 ASP CA C 52.9760 0.0000 1
138 20 20 ASP CB C 42.1950 0.0000 1
139 20 20 ASP N N 124.4160 0.0000 1
140 21 21 TYR H H 9.0700 0.0000 1
141 21 21 TYR HA H 4.7300 0.0000 1
142 21 21 TYR HB2 H 2.9900 0.0000 2
143 21 21 TYR HB3 H 2.5100 0.0000 2
144 21 21 TYR HD2 H 6.9700 0.0000 3
145 21 21 TYR HE2 H 6.5300 0.0000 3
146 21 21 TYR C C 175.7930 0.0000 1
147 21 21 TYR CA C 57.2000 0.0000 1
148 21 21 TYR CB C 43.2400 0.0000 1
149 21 21 TYR CD1 C 133.9300 0.0000 3
150 21 21 TYR CE1 C 117.4400 0.0000 3
151 21 21 TYR N N 121.2960 0.0000 1
152 22 22 LYS H H 8.7110 0.0000 1
153 22 22 LYS HA H 5.1920 0.0000 1
154 22 22 LYS HB2 H 1.7950 0.0000 2
155 22 22 LYS HB3 H 1.7950 0.0000 2
156 22 22 LYS HG2 H 1.3810 0.0000 2
157 22 22 LYS HG3 H 1.3810 0.0000 2
158 22 22 LYS C C 175.7930 0.0000 1
159 22 22 LYS CA C 56.2580 0.0000 1
160 22 22 LYS CB C 33.7580 0.0000 1
161 22 22 LYS CG C 25.5900 0.0000 1
162 22 22 LYS CD C 29.4690 0.0000 1
163 22 22 LYS N N 122.8200 0.0000 1
164 23 23 ALA H H 8.7270 0.0000 1
165 23 23 ALA HA H 4.7300 0.0000 1
166 23 23 ALA HB H 1.2820 0.0000 1
167 23 23 ALA C C 174.5150 0.0000 1
168 23 23 ALA CA C 51.5700 0.0000 1
169 23 23 ALA CB C 21.6280 0.0000 1
170 23 23 ALA N N 123.0730 0.0000 1
171 24 24 ALA H H 8.6750 0.0000 1
172 24 24 ALA HA H 5.1810 0.0000 1
173 24 24 ALA HB H 1.3400 0.0000 1
174 24 24 ALA C C 176.8350 0.0000 1
175 24 24 ALA CA C 51.5700 0.0000 1
176 24 24 ALA CB C 20.1200 0.0000 1
177 24 24 ALA N N 122.4860 0.0000 1
178 25 25 TYR H H 8.2700 0.0000 1
179 25 25 TYR HA H 5.0100 0.0000 1
180 25 25 TYR HD1 H 6.6500 0.0000 3
181 25 25 TYR HE1 H 6.5900 0.0000 3
182 25 25 TYR CA C 54.3400 0.0000 1
183 25 25 TYR CB C 39.8500 0.0000 1
184 25 25 TYR CD1 C 132.4300 0.0000 3
185 25 25 TYR CE1 C 117.9400 0.0000 3
186 25 25 TYR N N 122.6980 0.0000 1
187 26 26 LEU H H 8.7000 0.0000 1
188 26 26 LEU HA H 3.9200 0.0000 1
189 26 26 LEU HB2 H 1.2800 0.0000 2
190 26 26 LEU HB3 H 1.0800 0.0000 2
191 26 26 LEU HD1 H 0.6600 0.0000 2
192 26 26 LEU HD2 H 0.6500 0.0000 2
193 26 26 LEU C C 175.9830 0.0000 1
194 26 26 LEU CA C 56.7260 0.0000 1
195 26 26 LEU CB C 41.0700 0.0000 1
196 26 26 LEU CG C 28.7400 0.0000 1
197 26 26 LEU CD1 C 22.9500 0.0000 1
198 26 26 LEU CD2 C 25.0100 0.0000 1
199 26 26 LEU N N 127.9970 0.0000 1
200 27 27 GLY H H 5.8910 0.0000 1
201 27 27 GLY HA2 H 4.1870 0.0000 2
202 27 27 GLY HA3 H 2.6500 0.0000 2
203 27 27 GLY C C 176.2190 0.0000 1
204 27 27 GLY CA C 43.6010 0.0000 1
205 27 27 GLY N N 102.9010 0.0000 1
206 28 28 SER H H 7.9810 0.0000 1
207 28 28 SER HA H 5.7850 0.0000 1
208 28 28 SER HB2 H 3.5150 0.0000 2
209 28 28 SER HB3 H 3.3100 0.0000 2
210 28 28 SER CA C 56.2580 0.0000 1
211 28 28 SER CB C 65.6320 0.0000 1
212 28 28 SER N N 111.5510 0.0000 1
213 29 29 MET H H 8.7040 0.0000 1
214 29 29 MET HA H 4.7250 0.0000 1
215 29 29 MET HB2 H 2.3300 0.0000 2
216 29 29 MET HB3 H 1.9100 0.0000 2
217 29 29 MET HG2 H 2.3000 0.0000 2
218 29 29 MET HG3 H 2.3400 0.0000 2
219 29 29 MET HE H 1.6700 0.0000 1
220 29 29 MET C C 174.1430 0.0000 1
221 29 29 MET CA C 54.0360 0.0000 1
222 29 29 MET CB C 37.2680 0.0000 1
223 29 29 MET CG C 31.2650 0.0000 1
224 29 29 MET CE C 16.9760 0.0000 1
225 29 29 MET N N 119.4930 0.0000 1
226 30 30 LEU H H 8.6300 0.0000 1
227 30 30 LEU HA H 3.7850 0.0000 1
228 30 30 LEU HB2 H 1.2900 0.0000 2
229 30 30 LEU HB3 H 1.4700 0.0000 2
230 30 30 LEU HG H 1.0000 0.0000 1
231 30 30 LEU HD1 H 0.5400 0.0000 2
232 30 30 LEU HD2 H 0.3500 0.0000 2
233 30 30 LEU C C 175.8570 0.0000 1
234 30 30 LEU CA C 56.2500 0.0000 1
235 30 30 LEU CB C 42.6600 0.0000 1
236 30 30 LEU CG C 27.2300 0.0000 1
237 30 30 LEU CD1 C 25.4600 0.0000 1
238 30 30 LEU CD2 C 23.6100 0.0000 1
239 30 30 LEU N N 128.1500 0.0000 1
240 31 31 ILE H H 8.5600 0.0000 1
241 31 31 ILE HA H 4.1900 0.0000 1
242 31 31 ILE HB H 1.7900 0.0000 1
243 31 31 ILE HG12 H 1.0300 0.0000 1
244 31 31 ILE HG13 H 1.3900 0.0000 1
245 31 31 ILE HG2 H 0.6800 0.0000 1
246 31 31 ILE HD1 H 0.6100 0.0000 1
247 31 31 ILE C C 174.8810 0.0000 1
248 31 31 ILE CA C 57.6600 0.0000 1
249 31 31 ILE CB C 37.1100 0.0000 1
250 31 31 ILE CG1 C 26.0900 0.0000 1
251 31 31 ILE CG2 C 17.2500 0.0000 1
252 31 31 ILE CD1 C 10.5200 0.0000 1
253 31 31 ILE N N 127.7230 0.0000 1
254 32 32 LYS HA H 4.0550 0.0000 1
255 32 32 LYS HB2 H 1.6910 0.0000 2
256 32 32 LYS HB3 H 1.7960 0.0000 2
257 32 32 LYS HG2 H 1.3570 0.0000 2
258 32 32 LYS HG3 H 1.3570 0.0000 2
259 32 32 LYS HD2 H 1.1610 0.0000 2
260 32 32 LYS HD3 H 1.1610 0.0000 2
261 32 32 LYS C C 176.2720 0.0000 1
262 32 32 LYS CA C 58.6010 0.0000 1
263 32 32 LYS CB C 32.8200 0.0000 1
264 33 33 GLU H H 7.7230 0.0000 1
265 33 33 GLU HA H 4.3880 0.0000 1
266 33 33 GLU HB2 H 1.8300 0.0000 2
267 33 33 GLU HB3 H 1.7880 0.0000 2
268 33 33 GLU HG2 H 2.0700 0.0000 2
269 33 33 GLU HG3 H 2.1310 0.0000 2
270 33 33 GLU C C 173.9620 0.0000 1
271 33 33 GLU CA C 54.8510 0.0000 1
272 33 33 GLU CB C 30.9450 0.0000 1
273 33 33 GLU CG C 36.1030 0.0000 1
274 33 33 GLU N N 118.6380 0.0000 1
275 34 34 LEU H H 8.4460 0.0000 1
276 34 34 LEU HA H 3.9450 0.0000 1
277 34 34 LEU HB2 H 1.5700 0.0000 2
278 34 34 LEU HB3 H 0.8700 0.0000 2
279 34 34 LEU HD1 H 0.2800 0.0000 2
280 34 34 LEU HD2 H 0.5990 0.0000 2
281 34 34 LEU C C 176.8700 0.0000 1
282 34 34 LEU CA C 54.8500 0.0000 1
283 34 34 LEU CB C 41.7200 0.0000 1
284 34 34 LEU CG C 27.0500 0.0000 1
285 34 34 LEU CD1 C 24.3400 0.0000 1
286 34 34 LEU CD2 C 24.0500 0.0000 1
287 34 34 LEU N N 126.5350 0.0000 1
288 35 35 ARG H H 8.6800 0.0000 1
289 35 35 ARG HA H 4.5550 0.0000 1
290 35 35 ARG HB2 H 1.9780 0.0000 2
291 35 35 ARG HB3 H 1.4930 0.0000 2
292 35 35 ARG HG2 H 1.4240 0.0000 2
293 35 35 ARG HG3 H 1.4240 0.0000 2
294 35 35 ARG HD2 H 3.1060 0.0000 2
295 35 35 ARG HD3 H 3.1060 0.0000 2
296 35 35 ARG C C 176.1100 0.0000 1
297 35 35 ARG CA C 54.8510 0.0000 1
298 35 35 ARG CB C 30.4770 0.0000 1
299 35 35 ARG N N 128.4470 0.0000 1
300 36 36 GLY H H 7.1820 0.0000 1
301 36 36 GLY CA C 45.9060 0.0000 1
302 36 36 GLY N N 107.4060 0.0000 1
303 37 37 THR HA H 4.0600 0.0000 1
304 37 37 THR HB H 4.1890 0.0000 1
305 37 37 THR HG2 H 1.2680 0.0000 1
306 37 37 THR C C 176.6340 0.0000 1
307 37 37 THR CA C 65.6320 0.0000 1
308 37 37 THR CB C 68.4450 0.0000 1
309 37 37 THR CG2 C 22.5570 0.0000 1
310 38 38 GLU H H 8.4500 0.0000 1
311 38 38 GLU HA H 4.1260 0.0000 1
312 38 38 GLU HB2 H 2.1370 0.0000 2
313 38 38 GLU HB3 H 2.1370 0.0000 2
314 38 38 GLU HG2 H 2.2220 0.0000 2
315 38 38 GLU HG3 H 2.3570 0.0000 2
316 38 38 GLU C C 179.9810 0.0000 1
317 38 38 GLU CA C 60.0080 0.0000 1
318 38 38 GLU CB C 29.5390 0.0000 1
319 38 38 GLU CG C 36.8330 0.0000 1
320 38 38 GLU N N 122.2510 0.0000 1
321 39 39 SER H H 7.5220 0.0000 1
322 39 39 SER C C 175.9910 0.0000 1
323 39 39 SER CA C 62.8200 0.0000 1
324 39 39 SER N N 115.9660 0.0000 1
325 40 40 THR HA H 4.0490 0.0000 1
326 40 40 THR HB H 4.1910 0.0000 1
327 40 40 THR HG2 H 1.2080 0.0000 1
328 40 40 THR C C 175.9720 0.0000 1
329 40 40 THR CA C 66.1010 0.0000 1
330 40 40 THR CB C 67.9760 0.0000 1
331 41 41 GLN H H 8.2710 0.0000 1
332 41 41 GLN HA H 3.7590 0.0000 1
333 41 41 GLN C C 178.4830 0.0000 1
334 41 41 GLN CA C 60.4760 0.0000 1
335 41 41 GLN CB C 28.1330 0.0000 1
336 41 41 GLN CG C 34.7950 0.0000 1
337 41 41 GLN N N 120.3540 0.0000 1
338 42 42 ASP H H 7.9540 0.0000 1
339 42 42 ASP HA H 4.3590 0.0000 1
340 42 42 ASP HB2 H 2.6410 0.0000 2
341 42 42 ASP HB3 H 2.8240 0.0000 2
342 42 42 ASP C C 177.4800 0.0000 1
343 42 42 ASP CA C 57.6640 0.0000 1
344 42 42 ASP CB C 42.1950 0.0000 1
345 42 42 ASP N N 120.7570 0.0000 1
346 43 43 ALA H H 7.8420 0.0000 1
347 43 43 ALA HA H 3.9900 0.0000 1
348 43 43 ALA HB H 1.4200 0.0000 1
349 43 43 ALA C C 179.7670 0.0000 1
350 43 43 ALA CA C 55.3200 0.0000 1
351 43 43 ALA CB C 19.2300 0.0000 1
352 43 43 ALA N N 120.5870 0.0000 1
353 44 44 CYS H H 7.9000 0.0000 1
354 44 44 CYS HA H 3.8950 0.0000 1
355 44 44 CYS HB2 H 3.0060 0.0000 2
356 44 44 CYS HB3 H 3.1650 0.0000 2
357 44 44 CYS C C 176.0760 0.0000 1
358 44 44 CYS CA C 64.6950 0.0000 1
359 44 44 CYS CB C 27.6640 0.0000 1
360 44 44 CYS N N 115.4280 0.0000 1
361 45 45 ALA H H 7.2500 0.0000 1
362 45 45 ALA HA H 4.0000 0.0000 1
363 45 45 ALA HB H 1.5100 0.0000 1
364 45 45 ALA C C 173.5060 0.0000 1
365 45 45 ALA CA C 55.3200 0.0000 1
366 45 45 ALA CB C 17.9400 0.0000 1
367 45 45 ALA N N 120.4870 0.0000 1
368 46 46 LYS H H 8.1020 0.0000 1
369 46 46 LYS HA H 3.9470 0.0000 1
370 46 46 LYS HB2 H 1.7280 0.0000 2
371 46 46 LYS HB3 H 1.7970 0.0000 2
372 46 46 LYS HG2 H 1.4880 0.0000 2
373 46 46 LYS HG3 H 1.4880 0.0000 2
374 46 46 LYS C C 179.5610 0.0000 1
375 46 46 LYS CG C 26.2780 0.0000 1
376 46 46 LYS N N 119.2670 0.0000 1
377 47 47 MET H H 8.5850 0.0000 1
378 47 47 MET HA H 4.2140 0.0000 1
379 47 47 MET HB2 H 1.8470 0.0000 2
380 47 47 MET HB3 H 1.7930 0.0000 2
381 47 47 MET HG2 H 2.4600 0.0000 2
382 47 47 MET HG3 H 2.3900 0.0000 2
383 47 47 MET HE H 1.9900 0.0000 1
384 47 47 MET C C 179.5260 0.0000 1
385 47 47 MET CA C 57.1950 0.0000 1
386 47 47 MET CB C 30.9450 0.0000 1
387 47 47 MET CG C 33.8520 0.0000 1
388 47 47 MET CE C 17.6140 0.0000 1
389 47 47 MET N N 118.0090 0.0000 1
390 48 48 ARG H H 8.1900 0.0000 1
391 48 48 ARG HA H 3.8560 0.0000 1
392 48 48 ARG HB2 H 1.8130 0.0000 2
393 48 48 ARG HB3 H 1.8130 0.0000 2
394 48 48 ARG C C 178.8750 0.0000 1
395 48 48 ARG CA C 60.9450 0.0000 1
396 48 48 ARG CB C 30.4770 0.0000 1
397 48 48 ARG CG C 29.4910 0.0000 1
398 48 48 ARG N N 119.9620 0.0000 1
399 49 49 ALA H H 7.6710 0.0000 1
400 49 49 ALA HA H 3.7430 0.0000 1
401 49 49 ALA HB H 1.2690 0.0000 1
402 49 49 ALA C C 180.1690 0.0000 1
403 49 49 ALA CA C 54.8510 0.0000 1
404 49 49 ALA CB C 17.8210 0.0000 1
405 49 49 ALA N N 120.6400 0.0000 1
406 50 50 ASN H H 7.8930 0.0000 1
407 50 50 ASN HA H 4.4740 0.0000 1
408 50 50 ASN HB2 H 2.8700 0.0000 2
409 50 50 ASN HB3 H 2.8700 0.0000 2
410 50 50 ASN C C 177.0840 0.0000 1
411 50 50 ASN CA C 55.7890 0.0000 1
412 50 50 ASN CB C 38.9140 0.0000 1
413 50 50 ASN N N 116.0630 0.0000 1
414 51 51 CYS H H 7.7700 0.0000 1
415 51 51 CYS HA H 4.3060 0.0000 1
416 51 51 CYS HB2 H 2.9460 0.0000 2
417 51 51 CYS HB3 H 2.9460 0.0000 2
418 51 51 CYS C C 175.0020 0.0000 1
419 51 51 CYS CA C 61.4140 0.0000 1
420 51 51 CYS CB C 27.6640 0.0000 1
421 51 51 CYS N N 116.8840 0.0000 1
422 52 52 GLN H H 7.7960 0.0000 1
423 52 52 GLN HA H 4.2280 0.0000 1
424 52 52 GLN HB2 H 2.0290 0.0000 2
425 52 52 GLN HB3 H 2.1830 0.0000 2
426 52 52 GLN HG2 H 2.4730 0.0000 2
427 52 52 GLN HG3 H 2.3990 0.0000 2
428 52 52 GLN CA C 56.7260 0.0000 1
429 52 52 GLN CB C 29.0700 0.0000 1
430 52 52 GLN CG C 34.0560 0.0000 1
431 52 52 GLN N N 117.8310 0.0000 1
432 53 53 LYS H H 7.6860 0.0000 1
433 53 53 LYS CA C 57.1950 0.0000 1
434 53 53 LYS CB C 33.2890 0.0000 1
435 53 53 LYS N N 118.8410 0.0000 1
436 55 55 THR HA H 4.3040 0.0000 1
437 55 55 THR HB H 4.1990 0.0000 1
438 55 55 THR HG2 H 1.2700 0.0000 1
439 55 55 THR CA C 63.7570 0.0000 1
440 55 55 THR CB C 68.9140 0.0000 1
441 55 55 THR CG2 C 22.0110 0.0000 1
442 56 56 GLU H H 8.3110 0.0000 1
443 56 56 GLU HA H 4.1470 0.0000 1
444 56 56 GLU HB2 H 2.0200 0.0000 2
445 56 56 GLU HB3 H 2.2700 0.0000 2
446 56 56 GLU HG2 H 2.2920 0.0000 2
447 56 56 GLU HG3 H 2.2920 0.0000 2
448 56 56 GLU C C 177.6560 0.0000 1
449 56 56 GLU CA C 58.1330 0.0000 1
450 56 56 GLU CB C 30.0080 0.0000 1
451 56 56 GLU N N 120.8610 0.0000 1
452 57 57 GLN H H 7.8990 0.0000 1
453 57 57 GLN HA H 4.1420 0.0000 1
454 57 57 GLN HB2 H 2.0850 0.0000 2
455 57 57 GLN HB3 H 2.1570 0.0000 2
456 57 57 GLN HG2 H 2.4040 0.0000 2
457 57 57 GLN HG3 H 2.4040 0.0000 2
458 57 57 GLN C C 177.2750 0.0000 1
459 57 57 GLN CA C 57.6640 0.0000 1
460 57 57 GLN CB C 29.0700 0.0000 1
461 57 57 GLN CG C 34.0310 0.0000 1
462 57 57 GLN N N 118.3970 0.0000 1
463 58 58 MET H H 8.0360 0.0000 1
464 58 58 MET HA H 4.3500 0.0000 1
465 58 58 MET HB2 H 2.6040 0.0000 2
466 58 58 MET HB3 H 2.6340 0.0000 2
467 58 58 MET HG2 H 2.2100 0.0000 2
468 58 58 MET HG3 H 2.2100 0.0000 2
469 58 58 MET HE H 2.0600 0.0000 1
470 58 58 MET C C 177.1720 0.0000 1
471 58 58 MET CA C 56.7260 0.0000 1
472 58 58 MET CB C 32.1960 0.0000 1
473 58 58 MET CE C 16.9480 0.0000 1
474 58 58 MET N N 118.8970 0.0000 1
475 59 59 LYS H H 7.9010 0.0000 1
476 59 59 LYS HA H 4.2310 0.0000 1
477 59 59 LYS HB2 H 1.8630 0.0000 2
478 59 59 LYS HB3 H 1.8630 0.0000 2
479 59 59 LYS HG2 H 1.6880 0.0000 2
480 59 59 LYS HG3 H 1.6880 0.0000 2
481 59 59 LYS HD2 H 1.4300 0.0000 2
482 59 59 LYS HD3 H 1.5210 0.0000 2
483 59 59 LYS C C 176.6760 0.0000 1
484 59 59 LYS CA C 57.1950 0.0000 1
485 59 59 LYS CB C 32.8200 0.0000 1
486 59 59 LYS CG C 25.2140 0.0000 1
487 59 59 LYS CD C 29.1620 0.0000 1
488 59 59 LYS N N 119.7790 0.0000 1
489 60 60 LYS H H 7.8770 0.0000 1
490 60 60 LYS HA H 4.3350 0.0000 1
491 60 60 LYS HB2 H 1.7710 0.0000 2
492 60 60 LYS HB3 H 1.9020 0.0000 2
493 60 60 LYS HG2 H 1.6740 0.0000 2
494 60 60 LYS HG3 H 1.6740 0.0000 2
495 60 60 LYS HD2 H 1.3930 0.0000 2
496 60 60 LYS HD3 H 1.4910 0.0000 2
497 60 60 LYS C C 176.3360 0.0000 1
498 60 60 LYS CA C 56.2580 0.0000 1
499 60 60 LYS CB C 32.8200 0.0000 1
500 60 60 LYS CG C 24.8860 0.0000 1
501 60 60 LYS CD C 29.0990 0.0000 1
502 60 60 LYS N N 119.9930 0.0000 1
503 61 61 VAL H H 7.7080 0.0000 1
504 61 61 VAL HA H 4.3800 0.0000 1
505 61 61 VAL HB H 2.1900 0.0000 1
506 61 61 VAL HG1 H 0.9900 0.0000 2
507 61 61 VAL HG2 H 0.9300 0.0000 2
508 61 61 VAL C C 174.2100 0.0000 1
509 61 61 VAL CA C 60.0000 0.0000 1
510 61 61 VAL CB C 32.3500 0.0000 1
511 61 61 VAL CG1 C 21.0300 0.0000 1
512 61 61 VAL CG2 C 21.9200 0.0000 1
513 61 61 VAL N N 122.6490 0.0000 1
514 62 62 PRO HA H 4.6630 0.0000 1
515 62 62 PRO HB2 H 2.0040 0.0000 2
516 62 62 PRO HB3 H 2.3690 0.0000 2
517 62 62 PRO C C 176.6560 0.0000 1
518 62 62 PRO CA C 62.8200 0.0000 1
519 62 62 PRO CB C 31.8830 0.0000 1
520 62 62 PRO CG C 27.3290 0.0000 1
521 63 63 THR H H 8.3030 0.0000 1
522 63 63 THR HA H 4.8300 0.0000 1
523 63 63 THR HB H 4.1360 0.0000 1
524 63 63 THR HG2 H 1.2700 0.0000 1
525 63 63 THR C C 174.6820 0.0000 1
526 63 63 THR CA C 62.8200 0.0000 1
527 63 63 THR CB C 69.3820 0.0000 1
528 63 63 THR CG2 C 22.2800 0.0000 1
529 63 63 THR N N 117.1550 0.0000 1
530 64 64 ILE H H 9.3480 0.0000 1
531 64 64 ILE HB H 1.9800 0.0000 1
532 64 64 ILE HG12 H 0.9800 0.0000 1
533 64 64 ILE HG13 H 1.3400 0.0000 1
534 64 64 ILE HG2 H 0.9200 0.0000 1
535 64 64 ILE HD1 H 0.5480 0.0000 1
536 64 64 ILE CA C 58.6000 0.0000 1
537 64 64 ILE CB C 42.6900 0.0000 1
538 64 64 ILE CG1 C 26.3200 0.0000 1
539 64 64 ILE CG2 C 19.4650 0.0000 1
540 64 64 ILE CD1 C 15.7100 0.0000 1
541 64 64 ILE N N 121.0040 0.0000 1
542 65 65 ILE HA H 4.7400 0.0000 1
543 65 65 ILE HB H 1.7300 0.0000 1
544 65 65 ILE HG12 H 1.0700 0.0000 1
545 65 65 ILE HG13 H 1.4300 0.0000 1
546 65 65 ILE HG2 H 0.7100 0.0000 1
547 65 65 ILE HD1 H 0.8100 0.0000 1
548 65 65 ILE C C 175.3780 0.0000 1
549 65 65 ILE CA C 60.0800 0.0000 1
550 65 65 ILE CB C 38.7500 0.0000 1
551 65 65 ILE CG1 C 27.7300 0.0000 1
552 65 65 ILE CG2 C 17.1500 0.0000 1
553 65 65 ILE CD1 C 12.6800 0.0000 1
554 66 66 LEU H H 9.6100 0.0000 1
555 66 66 LEU HA H 4.8500 0.0000 1
556 66 66 LEU HB2 H 1.1900 0.0000 2
557 66 66 LEU HB3 H 1.6300 0.0000 2
558 66 66 LEU HD1 H 0.3980 0.0000 2
559 66 66 LEU HD2 H 0.3330 0.0000 2
560 66 66 LEU C C 174.9820 0.0000 1
561 66 66 LEU CA C 53.9100 0.0000 1
562 66 66 LEU CB C 44.2300 0.0000 1
563 66 66 LEU CG C 27.4100 0.0000 1
564 66 66 LEU CD1 C 25.9200 0.0000 1
565 66 66 LEU CD2 C 25.5900 0.0000 1
566 66 66 LEU N N 131.4000 0.0000 1
567 67 67 SER H H 9.2600 0.0000 1
568 67 67 SER HA H 5.4050 0.0000 1
569 67 67 SER HB2 H 3.4400 0.0000 2
570 67 67 SER HB3 H 3.7290 0.0000 2
571 67 67 SER C C 174.4050 0.0000 1
572 67 67 SER CA C 57.1950 0.0000 1
573 67 67 SER CB C 64.6950 0.0000 1
574 67 67 SER N N 120.9900 0.0000 1
575 68 68 VAL H H 9.2250 0.0000 1
576 68 68 VAL HA H 4.4930 0.0000 1
577 68 68 VAL HB H 2.0800 0.0000 1
578 68 68 VAL HG1 H 0.9300 0.0000 2
579 68 68 VAL HG2 H 0.7910 0.0000 2
580 68 68 VAL C C 173.8910 0.0000 1
581 68 68 VAL CA C 62.3500 0.0000 1
582 68 68 VAL CB C 33.7500 0.0000 1
583 68 68 VAL CG1 C 20.6600 0.0000 1
584 68 68 VAL CG2 C 22.1800 0.0000 1
585 68 68 VAL N N 128.1760 0.0000 1
586 69 69 SER H H 8.8690 0.0000 1
587 69 69 SER HA H 4.8370 0.0000 1
588 69 69 SER HB2 H 3.8650 0.0000 2
589 69 69 SER HB3 H 3.8650 0.0000 2
590 69 69 SER C C 173.1880 0.0000 1
591 69 69 SER CA C 57.1950 0.0000 1
592 69 69 SER CB C 67.9760 0.0000 1
593 69 69 SER N N 121.6970 0.0000 1
594 70 70 ALA H H 8.8100 0.0000 1
595 70 70 ALA HA H 4.1500 0.0000 1
596 70 70 ALA HB H 1.3000 0.0000 1
597 70 70 ALA C C 176.7140 0.0000 1
598 70 70 ALA CA C 53.9100 0.0000 1
599 70 70 ALA CB C 18.6000 0.0000 1
600 70 70 ALA N N 118.6890 0.0000 1
601 71 71 LYS H H 7.8300 0.0000 1
602 71 71 LYS HA H 4.2750 0.0000 1
603 71 71 LYS HB2 H 1.8640 0.0000 2
604 71 71 LYS HB3 H 1.6050 0.0000 2
605 71 71 LYS HG2 H 1.4370 0.0000 2
606 71 71 LYS HG3 H 1.4370 0.0000 2
607 71 71 LYS C C 177.0330 0.0000 1
608 71 71 LYS CA C 57.1950 0.0000 1
609 71 71 LYS CB C 33.2890 0.0000 1
610 71 71 LYS N N 112.6330 0.0000 1
611 72 72 GLY H H 7.6850 0.0000 1
612 72 72 GLY HA2 H 3.5020 0.0000 2
613 72 72 GLY HA3 H 4.9720 0.0000 2
614 72 72 GLY CA C 45.4760 0.0000 1
615 72 72 GLY N N 108.4320 0.0000 1
616 73 73 VAL H H 8.6200 0.0000 1
617 73 73 VAL HA H 5.0000 0.0000 1
618 73 73 VAL HB H 1.9400 0.0000 1
619 73 73 VAL HG1 H 0.7300 0.0000 2
620 73 73 VAL HG2 H 0.9600 0.0000 2
621 73 73 VAL CA C 60.4700 0.0000 1
622 73 73 VAL CB C 35.6300 0.0000 1
623 73 73 VAL CG1 C 22.8700 0.0000 1
624 73 73 VAL CG2 C 22.6800 0.0000 1
625 73 73 VAL N N 120.4140 0.0000 1
626 74 74 LYS H H 8.7830 0.0000 1
627 74 74 LYS HA H 5.0160 0.0000 1
628 74 74 LYS HB2 H 1.6960 0.0000 2
629 74 74 LYS HB3 H 1.6960 0.0000 2
630 74 74 LYS HG2 H 1.5530 0.0000 2
631 74 74 LYS HG3 H 1.5530 0.0000 2
632 74 74 LYS HD2 H 1.2400 0.0000 2
633 74 74 LYS HD3 H 1.4070 0.0000 2
634 74 74 LYS CA C 54.3830 0.0000 1
635 74 74 LYS CB C 36.5700 0.0000 1
636 74 74 LYS CG C 25.1200 0.0000 1
637 74 74 LYS N N 125.2570 0.0000 1
638 75 75 PHE H H 8.4320 0.0000 1
639 75 75 PHE HA H 5.7000 0.0000 1
640 75 75 PHE HB2 H 2.9500 0.0000 2
641 75 75 PHE HB3 H 2.9200 0.0000 2
642 75 75 PHE HD2 H 6.5900 0.0000 3
643 75 75 PHE HE2 H 6.7100 0.0000 3
644 75 75 PHE CA C 53.9200 0.0000 1
645 75 75 PHE CB C 40.6100 0.0000 1
646 75 75 PHE CD1 C 130.4600 0.0000 3
647 75 75 PHE CE1 C 131.4600 0.0000 3
648 75 75 PHE N N 119.4140 0.0000 1
649 76 76 ILE H H 8.9600 0.0000 1
650 76 76 ILE HA H 4.8400 0.0000 1
651 76 76 ILE HB H 1.6610 0.0000 1
652 76 76 ILE HG12 H 1.0700 0.0000 1
653 76 76 ILE HG13 H 1.5900 0.0000 1
654 76 76 ILE HG2 H 0.7000 0.0000 1
655 76 76 ILE HD1 H 0.7300 0.0000 1
656 76 76 ILE C C 175.2490 0.0000 1
657 76 76 ILE CA C 59.0700 0.0000 1
658 76 76 ILE CB C 41.2200 0.0000 1
659 76 76 ILE CG1 C 27.6400 0.0000 1
660 76 76 ILE CG2 C 17.1000 0.0000 1
661 76 76 ILE CD1 C 13.5900 0.0000 1
662 76 76 ILE N N 121.4300 0.0000 1
663 77 77 ASP H H 8.7500 0.0000 1
664 77 77 ASP HA H 4.5630 0.0000 1
665 77 77 ASP HB2 H 3.1980 0.0000 2
666 77 77 ASP HB3 H 2.5840 0.0000 2
667 77 77 ASP C C 177.5690 0.0000 1
668 77 77 ASP CA C 55.7890 0.0000 1
669 77 77 ASP CB C 43.6010 0.0000 1
670 77 77 ASP N N 125.7440 0.0000 1
671 78 78 ALA H H 8.7000 0.0000 1
672 78 78 ALA HA H 3.9700 0.0000 1
673 78 78 ALA HB H 1.3300 0.0000 1
674 78 78 ALA C C 178.0520 0.0000 1
675 78 78 ALA CA C 54.8300 0.0000 1
676 78 78 ALA CB C 18.7930 0.0000 1
677 78 78 ALA N N 128.6320 0.0000 1
678 79 79 THR H H 8.7790 0.0000 1
679 79 79 THR HA H 4.1940 0.0000 1
680 79 79 THR HB H 3.9490 0.0000 1
681 79 79 THR HG2 H 1.2900 0.0000 1
682 79 79 THR C C 175.5870 0.0000 1
683 79 79 THR CA C 64.6950 0.0000 1
684 79 79 THR CB C 69.3820 0.0000 1
685 79 79 THR CG2 C 21.6600 0.0000 1
686 79 79 THR N N 113.0870 0.0000 1
687 80 80 ASN H H 8.5840 0.0000 1
688 80 80 ASN HA H 4.7370 0.0000 1
689 80 80 ASN HB2 H 2.7100 0.0000 2
690 80 80 ASN HB3 H 2.9680 0.0000 2
691 80 80 ASN CA C 53.4450 0.0000 1
692 80 80 ASN CB C 39.3830 0.0000 1
693 80 80 ASN N N 118.4340 0.0000 1
694 81 81 LYS H H 7.9660 0.0000 1
695 81 81 LYS C C 174.9090 0.0000 1
696 81 81 LYS CA C 57.6640 0.0000 1
697 81 81 LYS CG C 25.0670 0.0000 1
698 81 81 LYS N N 112.4290 0.0000 1
699 82 82 ASN H H 8.4550 0.0000 1
700 82 82 ASN HA H 4.5900 0.0000 1
701 82 82 ASN HB2 H 2.5850 0.0000 2
702 82 82 ASN HB3 H 2.7200 0.0000 2
703 82 82 ASN C C 174.9990 0.0000 1
704 82 82 ASN CA C 52.9760 0.0000 1
705 82 82 ASN CB C 38.4450 0.0000 1
706 82 82 ASN N N 116.8060 0.0000 1
707 83 83 ILE H H 8.6500 0.0000 1
708 83 83 ILE HA H 4.0300 0.0000 1
709 83 83 ILE HB H 1.7360 0.0000 1
710 83 83 ILE HG12 H 0.9500 0.0000 1
711 83 83 ILE HG13 H 1.6200 0.0000 1
712 83 83 ILE HG2 H 0.6700 0.0000 1
713 83 83 ILE HD1 H 0.8100 0.0000 1
714 83 83 ILE C C 176.5720 0.0000 1
715 83 83 ILE CA C 62.3500 0.0000 1
716 83 83 ILE CB C 37.9700 0.0000 1
717 83 83 ILE CG1 C 28.4500 0.0000 1
718 83 83 ILE CG2 C 17.7900 0.0000 1
719 83 83 ILE CD1 C 13.3800 0.0000 1
720 83 83 ILE N N 122.4470 0.0000 1
721 84 84 ILE H H 8.9300 0.0000 1
722 84 84 ILE HA H 3.9200 0.0000 1
723 84 84 ILE HB H 1.4700 0.0000 1
724 84 84 ILE HG12 H 1.0700 0.0000 1
725 84 84 ILE HG13 H 1.0700 0.0000 1
726 84 84 ILE HG2 H 0.8500 0.0000 1
727 84 84 ILE HD1 H 0.9100 0.0000 1
728 84 84 ILE C C 175.8730 0.0000 1
729 84 84 ILE CA C 62.8100 0.0000 1
730 84 84 ILE CB C 38.8400 0.0000 1
731 84 84 ILE CG1 C 28.0000 0.0000 1
732 84 84 ILE CG2 C 17.3400 0.0000 1
733 84 84 ILE CD1 C 14.0000 0.0000 1
734 84 84 ILE N N 129.3390 0.0000 1
735 85 85 ALA H H 7.0480 0.0000 1
736 85 85 ALA C C 174.1000 0.0000 1
737 85 85 ALA CA C 51.5700 0.0000 1
738 85 85 ALA N N 118.8670 0.0000 1
739 87 87 HIS HA H 5.1540 0.0000 1
740 87 87 HIS HB2 H 3.0300 0.0000 2
741 87 87 HIS HB3 H 2.9000 0.0000 2
742 87 87 HIS C C 174.9860 0.0000 1
743 87 87 HIS CB C 34.3500 0.0000 1
744 88 88 GLU H H 9.1060 0.0000 1
745 88 88 GLU HA H 4.5210 0.0000 1
746 88 88 GLU HB2 H 2.3300 0.0000 2
747 88 88 GLU HB3 H 2.3300 0.0000 2
748 88 88 GLU HG2 H 2.4340 0.0000 2
749 88 88 GLU HG3 H 2.4340 0.0000 2
750 88 88 GLU C C 179.0470 0.0000 1
751 88 88 GLU CA C 56.7260 0.0000 1
752 88 88 GLU CB C 30.4770 0.0000 1
753 88 88 GLU CG C 37.1050 0.0000 1
754 88 88 GLU N N 125.3720 0.0000 1
755 89 89 ILE H H 8.0550 0.0000 1
756 89 89 ILE HA H 4.0190 0.0000 1
757 89 89 ILE HB H 1.3700 0.0000 1
758 89 89 ILE HG12 H 0.9700 0.0000 1
759 89 89 ILE HG13 H 1.2900 0.0000 1
760 89 89 ILE HG2 H 0.9560 0.0000 1
761 89 89 ILE HD1 H 0.7300 0.0000 1
762 89 89 ILE C C 176.0950 0.0000 1
763 89 89 ILE CA C 62.3510 0.0000 1
764 89 89 ILE CB C 38.9140 0.0000 1
765 89 89 ILE CG2 C 18.6100 0.0000 1
766 89 89 ILE CD1 C 13.7800 0.0000 1
767 89 89 ILE N N 124.1320 0.0000 1
768 90 90 ARG H H 8.0450 0.0000 1
769 90 90 ARG HA H 4.3380 0.0000 1
770 90 90 ARG HB2 H 1.7590 0.0000 2
771 90 90 ARG HB3 H 1.7590 0.0000 2
772 90 90 ARG C C 176.5780 0.0000 1
773 90 90 ARG CA C 57.6640 0.0000 1
774 90 90 ARG CB C 29.0700 0.0000 1
775 90 90 ARG CG C 27.3050 0.0000 1
776 90 90 ARG N N 116.9490 0.0000 1
777 91 91 ASN H H 8.0670 0.0000 1
778 91 91 ASN HA H 5.1530 0.0000 1
779 91 91 ASN HB2 H 2.8880 0.0000 2
780 91 91 ASN HB3 H 3.3810 0.0000 2
781 91 91 ASN C C 174.5950 0.0000 1
782 91 91 ASN CA C 52.5080 0.0000 1
783 91 91 ASN CB C 39.8520 0.0000 1
784 91 91 ASN N N 116.3200 0.0000 1
785 92 92 ILE H H 7.4830 0.0000 1
786 92 92 ILE HA H 5.0730 0.0000 1
787 92 92 ILE HB H 1.9200 0.0000 1
788 92 92 ILE HG2 H 0.7200 0.0000 1
789 92 92 ILE HD1 H 0.5300 0.0000 1
790 92 92 ILE C C 175.2290 0.0000 1
791 92 92 ILE CA C 61.8800 0.0000 1
792 92 92 ILE CB C 39.8500 0.0000 1
793 92 92 ILE CG1 C 27.1400 0.0000 1
794 92 92 ILE CG2 C 16.3000 0.0000 1
795 92 92 ILE CD1 C 14.2700 0.0000 1
796 92 92 ILE N N 122.4410 0.0000 1
797 93 93 SER H H 9.5450 0.0000 1
798 93 93 SER HA H 4.6840 0.0000 1
799 93 93 SER HB2 H 3.9620 0.0000 2
800 93 93 SER HB3 H 3.8790 0.0000 2
801 93 93 SER CA C 57.6640 0.0000 1
802 93 93 SER CB C 66.5700 0.0000 1
803 93 93 SER N N 120.3290 0.0000 1
804 94 94 CYS H H 8.8580 0.0000 1
805 94 94 CYS HA H 3.8120 0.0000 1
806 94 94 CYS HB2 H 2.8740 0.0000 2
807 94 94 CYS HB3 H 2.6370 0.0000 2
808 94 94 CYS C C 173.9730 0.0000 1
809 94 94 CYS CA C 59.5390 0.0000 1
810 94 94 CYS CB C 26.2580 0.0000 1
811 94 94 CYS N N 110.9000 0.0000 1
812 95 95 ALA H H 8.3600 0.0000 1
813 95 95 ALA HA H 4.4300 0.0000 1
814 95 95 ALA HB H 1.4400 0.0000 1
815 95 95 ALA C C 178.0980 0.0000 1
816 95 95 ALA CA C 52.6500 0.0000 1
817 95 95 ALA CB C 19.3000 0.0000 1
818 95 95 ALA N N 121.3790 0.0000 1
819 96 96 ALA H H 9.0800 0.0000 1
820 96 96 ALA HA H 4.6800 0.0000 1
821 96 96 ALA HB H 1.4360 0.0000 1
822 96 96 ALA C C 175.7160 0.0000 1
823 96 96 ALA CA C 52.4400 0.0000 1
824 96 96 ALA CB C 22.7000 0.0000 1
825 96 96 ALA N N 122.5760 0.0000 1
826 97 97 GLN H H 8.3690 0.0000 1
827 97 97 GLN HA H 4.9300 0.0000 1
828 97 97 GLN HB2 H 1.7690 0.0000 2
829 97 97 GLN HB3 H 2.2280 0.0000 2
830 97 97 GLN HG2 H 2.1210 0.0000 2
831 97 97 GLN HG3 H 2.1210 0.0000 2
832 97 97 GLN C C 175.2700 0.0000 1
833 97 97 GLN CA C 54.8510 0.0000 1
834 97 97 GLN CB C 33.7580 0.0000 1
835 97 97 GLN CG C 36.4600 0.0000 1
836 97 97 GLN N N 116.9030 0.0000 1
837 98 98 ASP H H 8.3950 0.0000 1
838 98 98 ASP C C 175.2170 0.0000 1
839 98 98 ASP CA C 52.0390 0.0000 1
840 98 98 ASP CB C 42.1950 0.0000 1
841 98 98 ASP N N 124.9710 0.0000 1
842 99 99 PRO HA H 4.2340 0.0000 1
843 99 99 PRO HB2 H 1.9410 0.0000 2
844 99 99 PRO HB3 H 2.2920 0.0000 2
845 99 99 PRO C C 178.4330 0.0000 1
846 99 99 PRO CA C 64.6950 0.0000 1
847 99 99 PRO CB C 32.3520 0.0000 1
848 99 99 PRO CG C 27.3540 0.0000 1
849 100 100 GLU H H 8.6430 0.0000 1
850 100 100 GLU HA H 4.2200 0.0000 1
851 100 100 GLU HB2 H 1.8010 0.0000 2
852 100 100 GLU HB3 H 2.1060 0.0000 2
853 100 100 GLU HG2 H 2.2640 0.0000 2
854 100 100 GLU HG3 H 2.2640 0.0000 2
855 100 100 GLU C C 176.6780 0.0000 1
856 100 100 GLU CA C 56.7260 0.0000 1
857 100 100 GLU CB C 30.9450 0.0000 1
858 100 100 GLU CG C 36.8350 0.0000 1
859 100 100 GLU N N 116.2230 0.0000 1
860 101 101 ASP H H 7.5970 0.0000 1
861 101 101 ASP HA H 4.5430 0.0000 1
862 101 101 ASP HB2 H 2.4380 0.0000 2
863 101 101 ASP HB3 H 2.5030 0.0000 2
864 101 101 ASP C C 174.7710 0.0000 1
865 101 101 ASP CA C 53.9140 0.0000 1
866 101 101 ASP CB C 40.7890 0.0000 1
867 101 101 ASP N N 119.0530 0.0000 1
868 102 102 LEU H H 8.5340 0.0000 1
869 102 102 LEU HA H 4.3900 0.0000 1
870 102 102 LEU HB2 H 1.6270 0.0000 2
871 102 102 LEU HB3 H 1.6270 0.0000 2
872 102 102 LEU HD1 H 0.8240 0.0000 2
873 102 102 LEU HD2 H 0.9200 0.0000 2
874 102 102 LEU C C 177.1410 0.0000 1
875 102 102 LEU CA C 57.6600 0.0000 1
876 102 102 LEU CB C 42.6600 0.0000 1
877 102 102 LEU CG C 28.1400 0.0000 1
878 102 102 LEU CD1 C 23.7600 0.0000 1
879 102 102 LEU CD2 C 25.6900 0.0000 1
880 102 102 LEU N N 123.9860 0.0000 1
881 103 103 SER H H 7.8670 0.0000 1
882 103 103 SER HA H 4.2900 0.0000 1
883 103 103 SER HB2 H 3.7370 0.0000 2
884 103 103 SER HB3 H 3.9450 0.0000 2
885 103 103 SER C C 174.1060 0.0000 1
886 103 103 SER CA C 60.9450 0.0000 1
887 103 103 SER CB C 63.7570 0.0000 1
888 103 103 SER N N 112.3390 0.0000 1
889 104 104 THR H H 8.8300 0.0000 1
890 104 104 THR HA H 5.3730 0.0000 1
891 104 104 THR HB H 4.4130 0.0000 1
892 104 104 THR HG2 H 1.2490 0.0000 1
893 104 104 THR CA C 63.2890 0.0000 1
894 104 104 THR CB C 69.3820 0.0000 1
895 104 104 THR CG2 C 21.2900 0.0000 1
896 104 104 THR N N 123.0700 0.0000 1
897 105 105 PHE H H 9.1700 0.0000 1
898 105 105 PHE HA H 5.4700 0.0000 1
899 105 105 PHE HB2 H 3.0200 0.0000 2
900 105 105 PHE HB3 H 2.8100 0.0000 2
901 105 105 PHE HD2 H 7.0500 0.0000 3
902 105 105 PHE HE2 H 6.6900 0.0000 3
903 105 105 PHE C C 179.2110 0.0000 1
904 105 105 PHE CA C 55.3200 0.0000 1
905 105 105 PHE CB C 41.7900 0.0000 1
906 105 105 PHE CD1 C 131.9400 0.0000 3
907 105 105 PHE CE1 C 129.4300 0.0000 3
908 105 105 PHE N N 122.5820 0.0000 1
909 106 106 ALA H H 8.7700 0.0000 1
910 106 106 ALA HB H 1.2300 0.0000 1
911 106 106 ALA C C 175.6030 0.0000 1
912 106 106 ALA N N 119.5670 0.0000 1
913 107 107 TYR H H 7.9500 0.0000 1
914 107 107 TYR HA H 4.9200 0.0000 1
915 107 107 TYR HB2 H 3.1700 0.0000 2
916 107 107 TYR HB3 H 2.9800 0.0000 2
917 107 107 TYR HD2 H 6.8900 0.0000 3
918 107 107 TYR HE2 H 6.6700 0.0000 3
919 107 107 TYR CA C 57.0800 0.0000 1
920 107 107 TYR CB C 40.7890 0.0000 1
921 107 107 TYR CD1 C 132.9600 0.0000 3
922 107 107 TYR CE1 C 117.4400 0.0000 3
923 107 107 TYR N N 131.0400 0.0000 1
924 108 108 ILE H H 8.8690 0.0000 1
925 108 108 ILE HA H 5.3700 0.0000 1
926 108 108 ILE HB H 1.8200 0.0000 1
927 108 108 ILE HG12 H 0.9500 0.0000 1
928 108 108 ILE HG13 H 0.8000 0.0000 1
929 108 108 ILE HG2 H 0.8900 0.0000 1
930 108 108 ILE HD1 H 0.6500 0.0000 1
931 108 108 ILE C C 176.2120 0.0000 1
932 108 108 ILE CA C 59.5400 0.0000 1
933 108 108 ILE CB C 39.3800 0.0000 1
934 108 108 ILE CG1 C 28.7700 0.0000 1
935 108 108 ILE CG2 C 18.3100 0.0000 1
936 108 108 ILE CD1 C 13.3800 0.0000 1
937 108 108 ILE N N 120.6130 0.0000 1
938 109 109 THR H H 9.4890 0.0000 1
939 109 109 THR HA H 5.6690 0.0000 1
940 109 109 THR HB H 4.0870 0.0000 1
941 109 109 THR HG2 H 0.8440 0.0000 1
942 109 109 THR C C 173.5050 0.0000 1
943 109 109 THR CA C 59.0700 0.0000 1
944 109 109 THR CG2 C 21.0610 0.0000 1
945 109 109 THR N N 116.5050 0.0000 1
946 110 110 LYS H H 7.8310 0.0000 1
947 110 110 LYS HA H 4.4600 0.0000 1
948 110 110 LYS HB2 H 1.5970 0.0000 2
949 110 110 LYS HB3 H 1.7690 0.0000 2
950 110 110 LYS HG2 H 1.5970 0.0000 2
951 110 110 LYS HG3 H 1.5970 0.0000 2
952 110 110 LYS HD3 H 1.0520 0.0000 2
953 110 110 LYS C C 175.9370 0.0000 1
954 110 110 LYS CA C 55.7890 0.0000 1
955 110 110 LYS CB C 34.2270 0.0000 1
956 110 110 LYS CG C 24.8920 0.0000 1
957 110 110 LYS CD C 29.0700 0.0000 1
958 110 110 LYS N N 122.9600 0.0000 1
959 111 111 ASP H H 8.7690 0.0000 1
960 111 111 ASP HA H 4.7810 0.0000 1
961 111 111 ASP HB2 H 2.6220 0.0000 2
962 111 111 ASP HB3 H 3.0280 0.0000 2
963 111 111 ASP C C 176.3960 0.0000 1
964 111 111 ASP CA C 53.9140 0.0000 1
965 111 111 ASP CB C 43.1330 0.0000 1
966 111 111 ASP N N 127.4090 0.0000 1
967 112 112 LEU H H 8.5930 0.0000 1
968 112 112 LEU HA H 4.1500 0.0000 1
969 112 112 LEU HB2 H 1.8200 0.0000 2
970 112 112 LEU HB3 H 1.6800 0.0000 2
971 112 112 LEU HD1 H 1.0000 0.0000 2
972 112 112 LEU HD2 H 0.8700 0.0000 2
973 112 112 LEU C C 178.5530 0.0000 1
974 112 112 LEU CA C 57.1900 0.0000 1
975 112 112 LEU CB C 41.7900 0.0000 1
976 112 112 LEU CG C 27.6300 0.0000 1
977 112 112 LEU CD1 C 25.0000 0.0000 1
978 112 112 LEU CD2 C 22.9800 0.0000 1
979 112 112 LEU N N 125.9130 0.0000 1
980 113 113 LYS H H 8.2070 0.0000 1
981 113 113 LYS HA H 4.2620 0.0000 1
982 113 113 LYS HB2 H 1.9390 0.0000 2
983 113 113 LYS HB3 H 1.9390 0.0000 2
984 113 113 LYS HD2 H 1.3850 0.0000 2
985 113 113 LYS HD3 H 1.4840 0.0000 2
986 113 113 LYS C C 177.1800 0.0000 1
987 113 113 LYS CA C 58.1330 0.0000 1
988 113 113 LYS CB C 32.8200 0.0000 1
989 113 113 LYS CG C 24.9570 0.0000 1
990 113 113 LYS N N 117.1890 0.0000 1
991 114 114 SER H H 7.7550 0.0000 1
992 114 114 SER CA C 58.6010 0.0000 1
993 114 114 SER CB C 65.1640 0.0000 1
994 114 114 SER N N 112.4920 0.0000 1
995 115 115 ASN HA H 4.3890 0.0000 1
996 115 115 ASN HB2 H 3.0010 0.0000 2
997 115 115 ASN HB3 H 2.7360 0.0000 2
998 115 115 ASN C C 174.2030 0.0000 1
999 115 115 ASN CA C 54.3830 0.0000 1
1000 115 115 ASN CB C 37.9770 0.0000 1
1001 116 116 HIS H H 7.6900 0.0000 1
1002 116 116 HIS HA H 4.9300 0.0000 1
1003 116 116 HIS HB2 H 2.9000 0.0000 2
1004 116 116 HIS HB3 H 2.7800 0.0000 2
1005 116 116 HIS C C 173.8980 0.0000 1
1006 116 116 HIS CA C 54.9100 0.0000 1
1007 116 116 HIS CB C 32.6500 0.0000 1
1008 116 116 HIS N N 116.8220 0.0000 1
1009 117 117 HIS H H 8.3400 0.0000 1
1010 117 117 HIS HA H 5.3200 0.0000 1
1011 117 117 HIS C C 173.6950 0.0000 1
1012 117 117 HIS CA C 56.3500 0.0000 1
1013 117 117 HIS CB C 32.3500 0.0000 1
1014 117 117 HIS N N 118.2530 0.0000 1
1015 118 118 TYR H H 9.0800 0.0000 1
1016 118 118 TYR HA H 5.0100 0.0000 1
1017 118 118 TYR HB2 H 2.6400 0.0000 2
1018 118 118 TYR HB3 H 2.2500 0.0000 2
1019 118 118 TYR HD1 H 6.7500 0.0000 3
1020 118 118 TYR HE1 H 6.7000 0.0000 3
1021 118 118 TYR C C 173.5300 0.0000 1
1022 118 118 TYR CA C 56.7300 0.0000 1
1023 118 118 TYR CB C 43.2400 0.0000 1
1024 118 118 TYR CD1 C 132.4300 0.0000 3
1025 118 118 TYR CE1 C 118.4400 0.0000 3
1026 118 118 TYR N N 118.3010 0.0000 1
1027 119 119 CYS H H 9.1200 0.0000 1
1028 119 119 CYS HA H 5.0630 0.0000 1
1029 119 119 CYS HB2 H 2.3870 0.0000 2
1030 119 119 CYS HB3 H 2.3870 0.0000 2
1031 119 119 CYS C C 180.6640 0.0000 1
1032 119 119 CYS CA C 56.7260 0.0000 1
1033 119 119 CYS CB C 29.5390 0.0000 1
1034 119 119 CYS N N 121.0150 0.0000 1
1035 120 120 HIS H H 8.4820 0.0000 1
1036 120 120 HIS HA H 4.6990 0.0000 1
1037 120 120 HIS CA C 55.3200 0.0000 1
1038 120 120 HIS CB C 32.3520 0.0000 1
1039 120 120 HIS N N 131.2000 0.0000 1
1040 121 121 VAL H H 7.9290 0.0000 1
1041 121 121 VAL HA H 4.3500 0.0000 1
1042 121 121 VAL HB H 1.5200 0.0000 1
1043 121 121 VAL HG1 H 0.6900 0.0000 2
1044 121 121 VAL HG2 H 0.9400 0.0000 2
1045 121 121 VAL C C 173.4190 0.0000 1
1046 121 121 VAL CA C 61.4100 0.0000 1
1047 121 121 VAL CB C 33.2800 0.0000 1
1048 121 121 VAL CG1 C 20.9800 0.0000 1
1049 121 121 VAL CG2 C 23.4700 0.0000 1
1050 121 121 VAL N N 120.8550 0.0000 1
1051 122 122 PHE H H 8.9100 0.0000 1
1052 122 122 PHE HA H 5.4200 0.0000 1
1053 122 122 PHE HB2 H 2.4600 0.0000 2
1054 122 122 PHE HB3 H 1.0900 0.0000 2
1055 122 122 PHE HD1 H 6.5400 0.0000 3
1056 122 122 PHE HE1 H 6.9000 0.0000 3
1057 122 122 PHE C C 174.8760 0.0000 1
1058 122 122 PHE CA C 55.3200 0.0000 1
1059 122 122 PHE CB C 44.5400 0.0000 1
1060 122 122 PHE CD1 C 131.9400 0.0000 3
1061 122 122 PHE N N 124.3840 0.0000 1
1062 123 123 THR H H 8.6680 0.0000 1
1063 123 123 THR HA H 5.1470 0.0000 1
1064 123 123 THR HB H 3.7130 0.0000 1
1065 123 123 THR HG2 H 0.9550 0.0000 1
1066 123 123 THR C C 174.0960 0.0000 1
1067 123 123 THR CA C 61.8430 0.0000 1
1068 123 123 THR CB C 71.2180 0.0000 1
1069 123 123 THR N N 112.4510 0.0000 1
1070 124 124 ALA H H 9.1800 0.0000 1
1071 124 124 ALA HA H 4.7200 0.0000 1
1072 124 124 ALA HB H 1.7000 0.0000 1
1073 124 124 ALA C C 177.1680 0.0000 1
1074 124 124 ALA CA C 50.8900 0.0000 1
1075 124 124 ALA CB C 21.1000 0.0000 1
1076 124 124 ALA N N 128.9220 0.0000 1
1077 125 125 PHE H H 8.5600 0.0000 1
1078 125 125 PHE HA H 4.2900 0.0000 1
1079 125 125 PHE HB2 H 3.3000 0.0000 2
1080 125 125 PHE HB3 H 3.2400 0.0000 2
1081 125 125 PHE HD2 H 7.2800 0.0000 3
1082 125 125 PHE HE2 H 7.2800 0.0000 3
1083 125 125 PHE C C 174.7030 0.0000 1
1084 125 125 PHE CA C 60.4700 0.0000 1
1085 125 125 PHE CB C 38.0600 0.0000 1
1086 125 125 PHE CD1 C 131.4900 0.0000 3
1087 125 125 PHE CE1 C 131.4900 0.0000 3
1088 125 125 PHE N N 115.4270 0.0000 1
1089 126 126 ASP H H 7.4170 0.0000 1
1090 126 126 ASP HA H 4.8430 0.0000 1
1091 126 126 ASP HB2 H 2.8970 0.0000 2
1092 126 126 ASP HB3 H 2.7050 0.0000 2
1093 126 126 ASP C C 176.5320 0.0000 1
1094 126 126 ASP CA C 53.4450 0.0000 1
1095 126 126 ASP CB C 44.0700 0.0000 1
1096 126 126 ASP N N 115.7450 0.0000 1
1097 127 127 VAL H H 8.5080 0.0000 1
1098 127 127 VAL HA H 3.5900 0.0000 1
1099 127 127 VAL HB H 2.0500 0.0000 1
1100 127 127 VAL HG1 H 0.9900 0.0000 2
1101 127 127 VAL HG2 H 0.9600 0.0000 2
1102 127 127 VAL C C 176.8630 0.0000 1
1103 127 127 VAL CA C 65.6300 0.0000 1
1104 127 127 VAL CB C 31.8300 0.0000 1
1105 127 127 VAL CG1 C 21.0200 0.0000 1
1106 127 127 VAL CG2 C 21.2000 0.0000 1
1107 127 127 VAL N N 121.9230 0.0000 1
1108 128 128 ASN H H 8.2070 0.0000 1
1109 128 128 ASN HA H 4.4760 0.0000 1
1110 128 128 ASN HB2 H 2.7560 0.0000 2
1111 128 128 ASN HB3 H 2.9580 0.0000 2
1112 128 128 ASN C C 178.2510 0.0000 1
1113 128 128 ASN CA C 56.2580 0.0000 1
1114 128 128 ASN CB C 37.9770 0.0000 1
1115 128 128 ASN N N 118.8510 0.0000 1
1116 129 129 LEU H H 8.2230 0.0000 1
1117 129 129 LEU HA H 4.2100 0.0000 1
1118 129 129 LEU HB2 H 1.8500 0.0000 2
1119 129 129 LEU HB3 H 1.6900 0.0000 2
1120 129 129 LEU HD1 H 1.2210 0.0000 2
1121 129 129 LEU HD2 H 1.1900 0.0000 2
1122 129 129 LEU C C 178.0030 0.0000 1
1123 129 129 LEU CA C 57.1900 0.0000 1
1124 129 129 LEU CB C 41.7900 0.0000 1
1125 129 129 LEU CG C 27.3200 0.0000 1
1126 129 129 LEU CD1 C 24.8900 0.0000 1
1127 129 129 LEU CD2 C 24.8000 0.0000 1
1128 129 129 LEU N N 122.5490 0.0000 1
1129 130 130 ALA H H 7.3600 0.0000 1
1130 130 130 ALA HA H 3.3100 0.0000 1
1131 130 130 ALA HB H 1.5900 0.0000 1
1132 130 130 ALA C C 178.1720 0.0000 1
1133 130 130 ALA CA C 55.7800 0.0000 1
1134 130 130 ALA CB C 19.0700 0.0000 1
1135 130 130 ALA N N 120.0360 0.0000 1
1136 131 131 ALA H H 7.3600 0.0000 1
1137 131 131 ALA HA H 3.7100 0.0000 1
1138 131 131 ALA HB H 1.4870 0.0000 1
1139 131 131 ALA C C 180.1630 0.0000 1
1140 131 131 ALA CA C 55.7800 0.0000 1
1141 131 131 ALA CB C 17.8300 0.0000 1
1142 131 131 ALA N N 116.9890 0.0000 1
1143 132 132 GLU H H 7.6730 0.0000 1
1144 132 132 GLU HA H 3.8880 0.0000 1
1145 132 132 GLU HB2 H 2.1600 0.0000 2
1146 132 132 GLU HB3 H 1.4930 0.0000 2
1147 132 132 GLU C C 179.2430 0.0000 1
1148 132 132 GLU CA C 59.5390 0.0000 1
1149 132 132 GLU CB C 29.5390 0.0000 1
1150 132 132 GLU CG C 36.3250 0.0000 1
1151 132 132 GLU N N 119.4620 0.0000 1
1152 133 133 ILE H H 8.1540 0.0000 1
1153 133 133 ILE HA H 2.7800 0.0000 1
1154 133 133 ILE HB H 0.8200 0.0000 1
1155 133 133 ILE HG12 H 0.8800 0.0000 1
1156 133 133 ILE HG13 H 0.8800 0.0000 1
1157 133 133 ILE HG2 H 0.0600 0.0000 1
1158 133 133 ILE HD1 H 0.1700 0.0000 1
1159 133 133 ILE C C 177.4210 0.0000 1
1160 133 133 ILE CA C 66.4900 0.0000 1
1161 133 133 ILE CB C 36.6500 0.0000 1
1162 133 133 ILE CG1 C 27.7260 0.0000 1
1163 133 133 ILE CG2 C 16.7400 0.0000 1
1164 133 133 ILE CD1 C 14.1200 0.0000 1
1165 133 133 ILE N N 123.2180 0.0000 1
1166 134 134 ILE H H 7.3760 0.0000 1
1167 134 134 ILE HA H 3.5400 0.0000 1
1168 134 134 ILE HB H 1.9100 0.0000 1
1169 134 134 ILE HG12 H 1.3700 0.0000 1
1170 134 134 ILE HG13 H 1.2500 0.0000 1
1171 134 134 ILE HG2 H 0.8500 0.0000 1
1172 134 134 ILE HD1 H 0.7300 0.0000 1
1173 134 134 ILE C C 179.3850 0.0000 1
1174 134 134 ILE CA C 63.2800 0.0000 1
1175 134 134 ILE CB C 36.1000 0.0000 1
1176 134 134 ILE CG1 C 27.1800 0.0000 1
1177 134 134 ILE CG2 C 17.3900 0.0000 1
1178 134 134 ILE CD1 C 10.6500 0.0000 1
1179 134 134 ILE N N 118.2440 0.0000 1
1180 135 135 LEU H H 8.0360 0.0000 1
1181 135 135 LEU HA H 4.1900 0.0000 1
1182 135 135 LEU HB2 H 1.7800 0.0000 2
1183 135 135 LEU HB3 H 1.7200 0.0000 2
1184 135 135 LEU HD1 H 0.8900 0.0000 2
1185 135 135 LEU HD2 H 0.9330 0.0000 2
1186 135 135 LEU C C 179.8580 0.0000 1
1187 135 135 LEU CA C 58.1900 0.0000 1
1188 135 135 LEU CB C 41.8600 0.0000 1
1189 135 135 LEU CG C 26.9500 0.0000 1
1190 135 135 LEU CD1 C 24.5600 0.0000 1
1191 135 135 LEU CD2 C 24.4000 0.0000 1
1192 135 135 LEU N N 123.0610 0.0000 1
1193 136 136 THR H H 8.5080 0.0000 1
1194 136 136 THR HA H 3.7250 0.0000 1
1195 136 136 THR HG2 H 1.2860 0.0000 1
1196 136 136 THR C C 176.0880 0.0000 1
1197 136 136 THR CA C 58.6010 0.0000 1
1198 136 136 THR CB C 67.9760 0.0000 1
1199 136 136 THR N N 119.6470 0.0000 1
1200 137 137 LEU H H 8.5200 0.0000 1
1201 137 137 LEU HA H 3.7400 0.0000 1
1202 137 137 LEU HB2 H 1.6400 0.0000 2
1203 137 137 LEU HB3 H 1.3700 0.0000 2
1204 137 137 LEU HG H 1.5100 0.0000 1
1205 137 137 LEU HD1 H 0.6000 0.0000 2
1206 137 137 LEU HD2 H 0.5400 0.0000 2
1207 137 137 LEU C C 178.3410 0.0000 1
1208 137 137 LEU CA C 58.2600 0.0000 1
1209 137 137 LEU CB C 41.5500 0.0000 1
1210 137 137 LEU CG C 26.9500 0.0000 1
1211 137 137 LEU CD1 C 24.9600 0.0000 1
1212 137 137 LEU CD2 C 24.4800 0.0000 1
1213 137 137 LEU N N 123.1820 0.0000 1
1214 138 138 GLY H H 7.8580 0.0000 1
1215 138 138 GLY HA2 H 4.0110 0.0000 2
1216 138 138 GLY HA3 H 3.8790 0.0000 2
1217 138 138 GLY C C 176.9730 0.0000 1
1218 138 138 GLY CA C 47.3510 0.0000 1
1219 138 138 GLY N N 105.2660 0.0000 1
1220 139 139 GLN H H 8.1950 0.0000 1
1221 139 139 GLN C C 177.8910 0.0000 1
1222 139 139 GLN CA C 58.6010 0.0000 1
1223 139 139 GLN CB C 28.1330 0.0000 1
1224 139 139 GLN CG C 33.6880 0.0000 1
1225 139 139 GLN N N 123.4850 0.0000 1
1226 140 140 ALA H H 8.5300 0.0000 1
1227 140 140 ALA HA H 3.7090 0.0000 1
1228 140 140 ALA HB H 1.2700 0.0000 1
1229 140 140 ALA C C 178.9870 0.0000 1
1230 140 140 ALA CA C 55.7800 0.0000 1
1231 140 140 ALA CB C 17.4100 0.0000 1
1232 140 140 ALA N N 122.7540 0.0000 1
1233 141 141 PHE H H 7.9200 0.0000 1
1234 141 141 PHE HA H 4.0900 0.0000 1
1235 141 141 PHE HB2 H 3.3000 0.0000 2
1236 141 141 PHE HB3 H 3.1800 0.0000 2
1237 141 141 PHE HD2 H 7.3200 0.0000 3
1238 141 141 PHE C C 178.1290 0.0000 1
1239 141 141 PHE CA C 61.2400 0.0000 1
1240 141 141 PHE CB C 39.3830 0.0000 1
1241 141 141 PHE CD1 C 131.9400 0.0000 3
1242 141 141 PHE N N 116.2750 0.0000 1
1243 142 142 GLU H H 7.7130 0.0000 1
1244 142 142 GLU HA H 4.2270 0.0000 1
1245 142 142 GLU HB2 H 2.2360 0.0000 2
1246 142 142 GLU HB3 H 2.2920 0.0000 2
1247 142 142 GLU HG2 H 2.5100 0.0000 2
1248 142 142 GLU HG3 H 2.4370 0.0000 2
1249 142 142 GLU C C 179.2500 0.0000 1
1250 142 142 GLU CA C 59.5390 0.0000 1
1251 142 142 GLU CB C 29.5390 0.0000 1
1252 142 142 GLU CG C 36.4070 0.0000 1
1253 142 142 GLU N N 119.9670 0.0000 1
1254 143 143 VAL H H 8.6080 0.0000 1
1255 143 143 VAL HA H 3.6830 0.0000 1
1256 143 143 VAL HB H 2.0310 0.0000 1
1257 143 143 VAL HG1 H 0.9800 0.0000 2
1258 143 143 VAL HG2 H 0.8820 0.0000 2
1259 143 143 VAL C C 178.0660 0.0000 1
1260 143 143 VAL CA C 66.5700 0.0000 1
1261 143 143 VAL CB C 31.8830 0.0000 1
1262 143 143 VAL CG1 C 23.3280 0.0000 1
1263 143 143 VAL CG2 C 21.9850 0.0000 2
1264 143 143 VAL N N 120.1890 0.0000 1
1265 144 144 ALA H H 8.3990 0.0000 1
1266 144 144 ALA HA H 4.0000 0.0000 1
1267 144 144 ALA HB H 1.6000 0.0000 1
1268 144 144 ALA C C 180.7760 0.0000 1
1269 144 144 ALA CA C 55.7800 0.0000 1
1270 144 144 ALA CB C 18.7700 0.0000 1
1271 144 144 ALA N N 121.7530 0.0000 1
1272 145 145 TYR H H 8.1900 0.0000 1
1273 145 145 TYR HA H 4.1900 0.0000 1
1274 145 145 TYR HB2 H 3.2100 0.0000 2
1275 145 145 TYR HB3 H 3.0100 0.0000 2
1276 145 145 TYR HD2 H 7.1300 0.0000 3
1277 145 145 TYR HE2 H 6.8300 0.0000 3
1278 145 145 TYR C C 177.6450 0.0000 1
1279 145 145 TYR CA C 60.8800 0.0000 1
1280 145 145 TYR CB C 37.9800 0.0000 1
1281 145 145 TYR CD1 C 133.4500 0.0000 3
1282 145 145 TYR CE1 C 117.9400 0.0000 3
1283 145 145 TYR N N 119.9620 0.0000 1
1284 146 146 GLN H H 8.1010 0.0000 1
1285 146 146 GLN HA H 3.9130 0.0000 1
1286 146 146 GLN HB2 H 2.2010 0.0000 2
1287 146 146 GLN HB3 H 2.2010 0.0000 2
1288 146 146 GLN HG2 H 2.6040 0.0000 2
1289 146 146 GLN HG3 H 2.6040 0.0000 2
1290 146 146 GLN C C 179.3920 0.0000 1
1291 146 146 GLN CA C 58.6010 0.0000 1
1292 146 146 GLN CB C 28.1330 0.0000 1
1293 146 146 GLN CG C 33.6800 0.0000 1
1294 146 146 GLN N N 118.5570 0.0000 1
1295 147 147 LEU H H 8.3750 0.0000 1
1296 147 147 LEU HA H 4.1000 0.0000 1
1297 147 147 LEU HB2 H 1.8900 0.0000 2
1298 147 147 LEU HB3 H 1.5400 0.0000 2
1299 147 147 LEU HD1 H 0.8200 0.0000 2
1300 147 147 LEU HD2 H 0.8200 0.0000 2
1301 147 147 LEU C C 179.6000 0.0000 1
1302 147 147 LEU CA C 57.6600 0.0000 1
1303 147 147 LEU CB C 42.1900 0.0000 1
1304 147 147 LEU CG C 26.7000 0.0000 1
1305 147 147 LEU CD1 C 22.8200 0.0000 1
1306 147 147 LEU CD2 C 25.5800 0.0000 1
1307 147 147 LEU N N 119.8110 0.0000 1
1308 148 148 ALA H H 7.7300 0.0000 1
1309 148 148 ALA HA H 4.1400 0.0000 1
1310 148 148 ALA HB H 1.4200 0.0000 1
1311 148 148 ALA C C 179.8730 0.0000 1
1312 148 148 ALA CA C 54.1000 0.0000 1
1313 148 148 ALA CB C 17.8600 0.0000 1
1314 148 148 ALA N N 121.9190 0.0000 1
1315 149 149 LEU H H 7.7000 0.0000 1
1316 149 149 LEU HA H 4.0800 0.0000 1
1317 149 149 LEU HB2 H 1.7200 0.0000 2
1318 149 149 LEU HB3 H 1.5700 0.0000 2
1319 149 149 LEU HD1 H 0.7700 0.0000 2
1320 149 149 LEU HD2 H 0.7600 0.0000 2
1321 149 149 LEU C C 179.1730 0.0000 1
1322 149 149 LEU CA C 56.9000 0.0000 1
1323 149 149 LEU CB C 42.0900 0.0000 1
1324 149 149 LEU CG C 26.6300 0.0000 1
1325 149 149 LEU CD1 C 24.8900 0.0000 1
1326 149 149 LEU CD2 C 23.1700 0.0000 1
1327 149 149 LEU N N 119.1420 0.0000 1
1328 150 150 GLN H H 7.7480 0.0000 1
1329 150 150 GLN HA H 4.1490 0.0000 1
1330 150 150 GLN HB2 H 2.0710 0.0000 2
1331 150 150 GLN HB3 H 2.1600 0.0000 2
1332 150 150 GLN HG2 H 2.5050 0.0000 2
1333 150 150 GLN HG3 H 2.4280 0.0000 2
1334 150 150 GLN C C 176.5880 0.0000 1
1335 150 150 GLN CA C 57.1950 0.0000 1
1336 150 150 GLN CB C 29.0700 0.0000 1
1337 150 150 GLN CG C 34.0170 0.0000 1
1338 150 150 GLN N N 117.6730 0.0000 1
1339 151 151 ALA H H 7.7200 0.0000 1
1340 151 151 ALA HA H 4.2500 0.0000 1
1341 151 151 ALA HB H 1.4200 0.0000 1
1342 151 151 ALA C C 177.8550 0.0000 1
1343 151 151 ALA CA C 52.8600 0.0000 1
1344 151 151 ALA CB C 18.6600 0.0000 1
1345 151 151 ALA N N 122.0820 0.0000 1
1346 152 152 ARG H H 7.7860 0.0000 1
1347 152 152 ARG HA H 4.2630 0.0000 1
1348 152 152 ARG HB2 H 1.8730 0.0000 2
1349 152 152 ARG HB3 H 1.8730 0.0000 2
1350 152 152 ARG HG2 H 1.6320 0.0000 2
1351 152 152 ARG HG3 H 1.6900 0.0000 2
1352 152 152 ARG HD2 H 3.1740 0.0000 2
1353 152 152 ARG HD3 H 3.1740 0.0000 2
1354 152 152 ARG C C 176.1330 0.0000 1
1355 152 152 ARG CA C 56.2580 0.0000 1
1356 152 152 ARG CB C 30.9450 0.0000 1
1357 152 152 ARG CG C 27.0200 0.0000 1
1358 152 152 ARG CD C 43.5530 0.0000 1
1359 152 152 ARG N N 118.7520 0.0000 1
1360 153 153 LYS H H 8.0910 0.0000 1
1361 153 153 LYS C C 176.2300 0.0000 1
1362 153 153 LYS CA C 56.2580 0.0000 1
1363 153 153 LYS CB C 33.2890 0.0000 1
1364 153 153 LYS CG C 24.8370 0.0000 1
1365 153 153 LYS CD C 29.1310 0.0000 1
1366 153 153 LYS CE C 42.1970 0.0000 1
1367 153 153 LYS N N 122.0470 0.0000 1
stop_
save_