data_6241
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Assignment of the 1H, 13C, and 15N resonances of the josephin domain of ataxin-3
;
_BMRB_accession_number 6241
_BMRB_flat_file_name bmr6241.str
_Entry_type original
_Submission_date 2004-06-20
_Accession_date 2004-06-21
_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 Nicastro Giuseppe . .
2 Masino Laura . .
3 Frenkiel Thomas . .
4 Kelly Geoff . .
5 McCormick John . .
6 Menon Raj . .
7 Pastore Annalisa . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 1129
"13C chemical shifts" 814
"15N chemical shifts" 203
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2005-01-07 original author .
stop_
_Original_release_date 2005-01-07
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Letter to the Editor: Assignment of the 1H, 13C, and 15N resonances of the
josephin domain of human ataxin-3
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Nicastro Giuseppe . .
2 Masino Laura . .
3 Frenkiel Thomas A. .
4 Kelly Geoff . .
5 McCormick John . .
6 Menon Rajesh P. .
7 Pastore Annalisa . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 30
_Journal_issue 4
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 457
_Page_last 458
_Year 2004
_Details .
loop_
_Keyword
ataxin-3
josephin
SCA3
'polyglutamine disease'
stop_
save_
#######################################
# Cited references within the entry #
#######################################
save_ref_1
_Saveframe_category citation
_Citation_full
;
Masino L, Musi V, Menon RP, Fusi P, Kelly G, Frenkiel TA, Trottier Y, Pastore A.
Abstract Domain architecture of the polyglutamine protein ataxin-3: a globular
domain followed by a flexible tail.
FEBS Lett. 2003 Aug 14;549(1-3):21-5.
;
_Citation_title 'Domain architecture of the polyglutamine protein ataxin-3: a globular domain followed by a flexible tail.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 12914917
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Masino Laura . .
2 Musi Valeria . .
3 Menon 'Rajesh P' P. .
4 Fusi Paola . .
5 Kelly Geoff . .
6 Frenkiel 'Thomas A' A. .
7 Trottier Yvon . .
8 Pastore Annalisa . .
stop_
_Journal_abbreviation 'FEBS Lett.'
_Journal_name_full 'FEBS letters'
_Journal_volume 549
_Journal_issue 1-3
_Journal_CSD .
_Book_title .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_publisher .
_Book_publisher_city .
_Book_ISBN .
_Conference_title .
_Conference_site .
_Conference_state_province .
_Conference_country .
_Conference_start_date .
_Conference_end_date .
_Conference_abstract_number .
_Thesis_institution .
_Thesis_institution_city .
_Thesis_institution_country .
_Page_first 21
_Page_last 25
_Year 2003
_Details
;
Anomalous expansion of a polyglutamine (polyQ) tract in the protein ataxin-3
causes spinocerebellar ataxia type 3, an autosomal dominant neurodegenerative
disease. Very little is known about the structure and the function of ataxin-3,
although this information would undoubtedly help to understand why the expanded
protein forms insoluble nuclear aggregates and causes neuronal cell death. With
the aim of establishing the domain architecture of ataxin-3 and the role of the
polyQ tract within the protein context, we have studied the human and murine
orthologues using a combination of techniques, which range from limited
proteolysis to circular dichroism (CD) and nuclear magnetic resonance (NMR)
spectroscopies. The two protein sequences share a highly conserved N-terminus
and differ only in the length of the glutamine repeats and in the C-terminus.
Our data conclusively indicate that ataxin-3 is composed by a structured
N-terminal domain, followed by a flexible tail. Moreover, [(15)N]glutamine
selectively labelled samples allowed us to have a direct insight by NMR into
the structure of the polyQ region.
;
save_
save_ref_2
_Saveframe_category citation
_Citation_full
;
Masino L, Pastore A.
Abstract Glutamine repeats: structural hypotheses and neurodegeneration.
Biochem Soc Trans. 2002 Aug;30(4):548-51. Review.
;
_Citation_title 'Glutamine repeats: structural hypotheses and neurodegeneration.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 12196134
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Masino L . .
2 Pastore A . .
stop_
_Journal_abbreviation 'Biochem. Soc. Trans.'
_Journal_name_full 'Biochemical Society transactions'
_Journal_volume 30
_Journal_issue 4
_Journal_CSD .
_Book_title .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_publisher .
_Book_publisher_city .
_Book_ISBN .
_Conference_title .
_Conference_site .
_Conference_state_province .
_Conference_country .
_Conference_start_date .
_Conference_end_date .
_Conference_abstract_number .
_Thesis_institution .
_Thesis_institution_city .
_Thesis_institution_country .
_Page_first 548
_Page_last 551
_Year 2002
_Details
;
A growing number of neurodegenerative diseases are caused by expansion of CAG
trinucleotide repeats coding for polyglutamine. The presence of intranuclear
inclusions in the affected neuronal cells has suggested a mechanism for
pathogenesis based on protein misfolding and aggregation. Detailed
understanding of these phenomena is therefore crucial in order to rationalize
different phases of the diseases. In the past decade, a few studies have
focused on the structural properties of polyglutamine and on the molecular
bases of the aggregation process. Most of these studies have been performed on
polyglutamine peptides and protein models. Only one report is currently
available on the characterization of a full-length polyglutamine protein. The
structural hypotheses resulting from these studies are reviewed here.
;
save_
##################################
# Molecular system description #
##################################
save_system_josephin_domain
_Saveframe_category molecular_system
_Mol_system_name 'josephin domain of ataxin-3'
_Abbreviation_common 'josephin domain'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'josephin domain' $ataxin-3
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_ataxin-3
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common ataxin-3
_Abbreviation_common ataxin-3
_Molecular_mass 21165.3
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 182
_Mol_residue_sequence
;
MESIFHEKQEGSLCAQHCLN
NLLQGEYFSPVELSSIAHQL
DEEERMRMAEGGVTSEDYRT
FLQQPSGNMDDSGFFSIQVI
SNALKVWGLELILFNSPEYQ
RLRIDPINERSFICNYKEHW
FTVRKLGKQWFNLNSLLTGP
ELISDTYLALFLAQLQQEGY
SIFVVKGDLPDCEADQLLQM
IR
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 GLU 3 SER 4 ILE 5 PHE
6 HIS 7 GLU 8 LYS 9 GLN 10 GLU
11 GLY 12 SER 13 LEU 14 CYS 15 ALA
16 GLN 17 HIS 18 CYS 19 LEU 20 ASN
21 ASN 22 LEU 23 LEU 24 GLN 25 GLY
26 GLU 27 TYR 28 PHE 29 SER 30 PRO
31 VAL 32 GLU 33 LEU 34 SER 35 SER
36 ILE 37 ALA 38 HIS 39 GLN 40 LEU
41 ASP 42 GLU 43 GLU 44 GLU 45 ARG
46 MET 47 ARG 48 MET 49 ALA 50 GLU
51 GLY 52 GLY 53 VAL 54 THR 55 SER
56 GLU 57 ASP 58 TYR 59 ARG 60 THR
61 PHE 62 LEU 63 GLN 64 GLN 65 PRO
66 SER 67 GLY 68 ASN 69 MET 70 ASP
71 ASP 72 SER 73 GLY 74 PHE 75 PHE
76 SER 77 ILE 78 GLN 79 VAL 80 ILE
81 SER 82 ASN 83 ALA 84 LEU 85 LYS
86 VAL 87 TRP 88 GLY 89 LEU 90 GLU
91 LEU 92 ILE 93 LEU 94 PHE 95 ASN
96 SER 97 PRO 98 GLU 99 TYR 100 GLN
101 ARG 102 LEU 103 ARG 104 ILE 105 ASP
106 PRO 107 ILE 108 ASN 109 GLU 110 ARG
111 SER 112 PHE 113 ILE 114 CYS 115 ASN
116 TYR 117 LYS 118 GLU 119 HIS 120 TRP
121 PHE 122 THR 123 VAL 124 ARG 125 LYS
126 LEU 127 GLY 128 LYS 129 GLN 130 TRP
131 PHE 132 ASN 133 LEU 134 ASN 135 SER
136 LEU 137 LEU 138 THR 139 GLY 140 PRO
141 GLU 142 LEU 143 ILE 144 SER 145 ASP
146 THR 147 TYR 148 LEU 149 ALA 150 LEU
151 PHE 152 LEU 153 ALA 154 GLN 155 LEU
156 GLN 157 GLN 158 GLU 159 GLY 160 TYR
161 SER 162 ILE 163 PHE 164 VAL 165 VAL
166 LYS 167 GLY 168 ASP 169 LEU 170 PRO
171 ASP 172 CYS 173 GLU 174 ALA 175 ASP
176 GLN 177 LEU 178 LEU 179 GLN 180 MET
181 ILE 182 ARG
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
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 17333 JD 100.00 190 100.00 100.00 6.58e-131
BMRB 6742 ataxin-3_josephin_domain 100.00 190 100.00 100.00 5.35e-131
PDB 1YZB "Solution Structure Of The Josephin Domain Of Ataxin-3" 100.00 182 100.00 100.00 5.37e-131
PDB 2AGA "De-Ubiquitinating Function Of Ataxin-3: Insights From The Solution Structure Of The Josephin Domain" 100.00 190 100.00 100.00 6.58e-131
PDB 2DOS "Structural Basis For The Recognition Of Lys48-linked Polyubiquitin Chain By The Josephin Domain Of Ataxin-3, A Putative Deubiqu" 93.96 176 100.00 100.00 3.41e-122
PDB 2JRI "Solution Structure Of The Josephin Domain Of Ataxin-3 In Complex With Ubiquitin Molecule." 100.00 182 100.00 100.00 5.37e-131
DBJ BAB18798 "ataxin-3 [Homo sapiens]" 65.93 306 99.17 100.00 5.37e-82
DBJ BAB25825 "unnamed protein product [Mus musculus]" 100.00 351 98.90 100.00 2.88e-130
DBJ BAB55645 "ataxin-3 [Homo sapiens]" 100.00 361 100.00 100.00 3.79e-132
DBJ BAB55646 "ataxin-3 [Homo sapiens]" 100.00 364 100.00 100.00 1.15e-130
DBJ BAC27155 "unnamed protein product [Mus musculus]" 100.00 355 98.35 100.00 8.24e-130
EMBL CAA72986 "spinocerebellar ataxia type 3 [Rattus norvegicus]" 100.00 355 98.90 100.00 2.54e-130
GB AAB33571 "MJD1 protein [Homo sapiens]" 100.00 360 100.00 100.00 1.56e-131
GB AAB63352 "josephin MJD1 [Homo sapiens]" 100.00 361 100.00 100.00 4.00e-132
GB AAB63353 "josephin MJD1 [Homo sapiens]" 100.00 364 100.00 100.00 1.13e-130
GB AAB63354 "josephin MJD1 [Homo sapiens]" 99.45 373 100.00 100.00 1.27e-131
GB AAH33711 "ATXN3 protein [Homo sapiens]" 100.00 370 100.00 100.00 2.60e-132
REF NP_001092686 "ataxin-3 [Bos taurus]" 100.00 291 100.00 100.00 3.37e-131
REF NP_001116553 "ataxin-3 [Sus scrofa]" 100.00 353 100.00 100.00 1.54e-131
REF NP_001124408 "ataxin-3 [Ovis aries]" 100.00 291 100.00 100.00 4.47e-131
REF NP_001158250 "ataxin-3 isoform o [Homo sapiens]" 70.88 154 100.00 100.00 4.61e-91
REF NP_001161386 "ataxin-3 isoform 2 [Mus musculus]" 100.00 291 98.90 100.00 3.06e-130
SP O35815 "RecName: Full=Ataxin-3; AltName: Full=Machado-Joseph disease protein 1 homolog [Rattus norvegicus]" 100.00 355 98.90 100.00 2.54e-130
SP P54252 "RecName: Full=Ataxin-3; AltName: Full=Machado-Joseph disease protein 1; AltName: Full=Spinocerebellar ataxia type 3 protein [Ho" 100.00 364 100.00 100.00 1.15e-130
SP Q9CVD2 "RecName: Full=Ataxin-3; AltName: Full=Machado-Joseph disease protein 1 homolog [Mus musculus]" 100.00 355 98.90 100.00 1.54e-130
TPG DAA17354 "TPA: ataxin-3 [Bos taurus]" 100.00 291 100.00 100.00 3.37e-131
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$ataxin-3 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
_Vector_type
_Vector_name
$ataxin-3 'recombinant technology' 'E. coli' . . . pET .
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
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$ataxin-3 0.4 mM 0.2 0.5 '[U-95% 13C; U-95% 15N]'
stop_
save_
############################
# Computer software used #
############################
save_nmrDraw
_Saveframe_category software
_Name nmrDraw
_Version .
loop_
_Task
'peak assignments'
stop_
_Details .
save_
save_nmrPipe
_Saveframe_category software
_Name nmrPipe
_Version .
loop_
_Task
'peak assignments'
stop_
_Details .
save_
save_XEASY
_Saveframe_category software
_Name XEASY
_Version .
loop_
_Task
'peak assignments'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
save_NMR_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_15N-NOESY-HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 15N-NOESY-HSQC
_Sample_label .
save_
save_13C-NOESY-HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name 13C-NOESY-HSQC
_Sample_label .
save_
save_HNCA_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_Sample_label .
save_
save_HN(CO)CA_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CO)CA
_Sample_label .
save_
save_HNCO_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label .
save_
save_HN(CA)CB_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CA)CB
_Sample_label .
save_
save_C(CO)NH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name C(CO)NH
_Sample_label .
save_
save_H(CCO)NH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name H(CCO)NH
_Sample_label .
save_
save_HCCH-TOCSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_Sample_label .
save_
save_CBCA(CO)NH_10
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)NH
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 15N-NOESY-HSQC
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name 13C-NOESY-HSQC
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CO)CA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CA)CB
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_7
_Saveframe_category NMR_applied_experiment
_Experiment_name C(CO)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_8
_Saveframe_category NMR_applied_experiment
_Experiment_name H(CCO)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_10
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_sample_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.5 0.2 n/a
temperature 298 0.5 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
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_chemical_shift_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_condition_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'josephin 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 . 1 MET H H 8.649 0.002 1
2 . 1 MET N N 116.968 0.070 1
3 . 1 MET CA C 56.880 0.080 1
4 . 1 MET HA H 4.205 0.001 1
5 . 1 MET C C 177.630 0.080 1
6 . 1 MET CB C 31.986 0.080 1
7 . 1 MET HB2 H 2.036 0.020 1
8 . 1 MET HB3 H 2.036 0.020 1
9 . 1 MET CG C 32.630 0.080 1
10 . 1 MET HG2 H 2.676 0.001 1
11 . 1 MET HG3 H 2.540 0.003 1
12 . 1 MET CE C 17.170 0.000 1
13 . 1 MET HE H 2.119 0.000 1
14 . 2 GLU H H 8.252 0.002 1
15 . 2 GLU N N 119.156 0.070 1
16 . 2 GLU CA C 58.570 0.080 1
17 . 2 GLU HA H 4.142 0.001 1
18 . 2 GLU C C 176.730 0.080 1
19 . 2 GLU CB C 29.250 0.080 1
20 . 2 GLU HB2 H 2.063 0.020 1
21 . 2 GLU HB3 H 2.063 0.020 1
22 . 2 GLU CG C 37.136 0.080 1
23 . 2 GLU HG2 H 2.400 0.001 1
24 . 2 GLU HG3 H 2.245 0.002 1
25 . 3 SER H H 7.858 0.004 1
26 . 3 SER N N 113.687 0.070 1
27 . 3 SER CA C 59.300 0.080 1
28 . 3 SER HA H 4.338 0.003 1
29 . 3 SER C C 173.830 0.080 1
30 . 3 SER CB C 63.820 0.080 1
31 . 3 SER HB2 H 3.829 0.001 1
32 . 3 SER HB3 H 3.779 0.001 1
33 . 4 ILE H H 7.299 0.007 1
34 . 4 ILE N N 122.593 0.070 1
35 . 4 ILE CA C 62.680 0.080 1
36 . 4 ILE HA H 3.585 0.003 1
37 . 4 ILE C C 174.840 0.080 1
38 . 4 ILE CB C 39.068 0.080 1
39 . 4 ILE HB H 1.537 0.002 1
40 . 4 ILE CG2 C 17.178 0.080 1
41 . 4 ILE HG2 H 0.498 0.001 1
42 . 4 ILE CG1 C 27.962 0.080 1
43 . 4 ILE HG12 H 1.418 0.020 1
44 . 4 ILE HG13 H 0.424 0.001 1
45 . 4 ILE CD1 C 12.993 0.080 1
46 . 4 ILE HD1 H -0.023 0.001 1
47 . 5 PHE H H 8.955 0.002 1
48 . 5 PHE N N 132.437 0.070 1
49 . 5 PHE CA C 58.330 0.080 1
50 . 5 PHE HA H 4.273 0.004 1
51 . 5 PHE C C 173.850 0.080 1
52 . 5 PHE CB C 38.746 0.080 1
53 . 5 PHE HB2 H 2.784 0.020 1
54 . 5 PHE HB3 H 2.810 0.020 1
55 . 5 PHE CD1 C 131.710 0.000 1
56 . 5 PHE HD1 H 7.200 0.000 1
57 . 5 PHE CD2 C 131.710 0.000 1
58 . 5 PHE HD2 H 7.200 0.000 1
59 . 5 PHE CZ C 129.470 0.000 1
60 . 5 PHE HZ H 7.205 0.000 1
61 . 6 HIS H H 8.067 0.013 1
62 . 6 HIS N N 128.375 0.070 1
63 . 6 HIS CA C 56.220 0.080 1
64 . 6 HIS HA H 4.456 0.001 1
65 . 6 HIS C C 172.470 0.080 1
66 . 6 HIS CB C 32.790 0.080 1
67 . 6 HIS HB2 H 2.776 0.003 1
68 . 6 HIS HB3 H 2.562 0.002 1
69 . 6 HIS CD2 C 115.084 0.080 1
70 . 6 HIS HD2 H 6.643 0.001 1
71 . 6 HIS CE1 C 137.258 0.080 1
72 . 6 HIS HE1 H 7.187 0.003 1
73 . 7 GLU H H 9.726 0.020 1
74 . 7 GLU N N 129.781 0.070 1
75 . 7 GLU CA C 56.260 0.080 1
76 . 7 GLU HA H 3.925 0.003 1
77 . 7 GLU C C 175.520 0.080 1
78 . 7 GLU CB C 31.503 0.080 1
79 . 7 GLU HB2 H 1.965 0.003 1
80 . 7 GLU HB3 H 1.783 0.001 1
81 . 7 GLU CG C 37.458 0.080 1
82 . 7 GLU HG2 H 2.342 0.004 1
83 . 7 GLU HG3 H 2.106 0.002 1
84 . 8 LYS H H 7.736 0.001 1
85 . 8 LYS N N 121.343 0.070 1
86 . 8 LYS CA C 54.580 0.080 1
87 . 8 LYS HA H 4.301 0.010 1
88 . 8 LYS C C 175.360 0.080 1
89 . 8 LYS CB C 33.756 0.080 1
90 . 8 LYS HB2 H 1.737 0.003 1
91 . 8 LYS HB3 H 1.428 0.002 1
92 . 8 LYS CG C 24.904 0.080 1
93 . 8 LYS HG2 H 1.329 0.002 1
94 . 8 LYS HG3 H 1.088 0.004 1
95 . 8 LYS CD C 29.089 0.080 1
96 . 8 LYS HD2 H 1.571 0.020 1
97 . 8 LYS HD3 H 1.571 0.020 1
98 . 8 LYS CE C 41.965 0.080 1
99 . 8 LYS HE2 H 2.954 0.020 1
100 . 8 LYS HE3 H 2.954 0.020 1
101 . 9 GLN H H 7.730 0.002 1
102 . 9 GLN N N 117.906 0.070 1
103 . 9 GLN CA C 54.280 0.080 1
104 . 9 GLN HA H 4.353 0.002 1
105 . 9 GLN C C 174.720 0.080 1
106 . 9 GLN CB C 32.147 0.080 1
107 . 9 GLN HB2 H 2.241 0.005 1
108 . 9 GLN HB3 H 1.843 0.002 1
109 . 9 GLN CG C 33.595 0.080 1
110 . 9 GLN HG2 H 2.322 0.020 1
111 . 9 GLN HG3 H 2.171 0.020 1
112 . 9 GLN NE2 N 112.437 0.070 1
113 . 9 GLN HE21 H 7.927 0.002 1
114 . 9 GLN HE22 H 7.138 0.020 1
115 . 10 GLU H H 8.974 0.020 1
116 . 10 GLU N N 124.625 0.070 1
117 . 10 GLU CA C 56.010 0.080 1
118 . 10 GLU HA H 4.496 0.003 1
119 . 10 GLU C C 176.300 0.080 1
120 . 10 GLU CB C 30.859 0.080 1
121 . 10 GLU HB2 H 2.110 0.001 1
122 . 10 GLU HB3 H 1.984 0.002 1
123 . 10 GLU CG C 36.010 0.080 1
124 . 10 GLU HG2 H 2.246 0.020 1
125 . 10 GLU HG3 H 2.246 0.020 1
126 . 11 GLY H H 8.558 0.020 1
127 . 11 GLY N N 112.124 0.070 1
128 . 11 GLY CA C 45.506 0.080 1
129 . 11 GLY HA2 H 4.135 0.001 1
130 . 11 GLY HA3 H 4.066 0.001 1
131 . 11 GLY C C 174.530 0.080 1
132 . 12 SER H H 8.638 0.002 1
133 . 12 SER N N 117.281 0.070 1
134 . 12 SER CA C 59.460 0.080 1
135 . 12 SER HA H 4.489 0.005 1
136 . 12 SER C C 174.720 0.080 1
137 . 12 SER CB C 64.080 0.080 1
138 . 12 SER HB2 H 4.030 0.020 1
139 . 12 SER HB3 H 3.952 0.020 1
140 . 13 LEU H H 8.071 0.003 1
141 . 13 LEU N N 123.218 0.070 1
142 . 13 LEU CA C 55.800 0.080 1
143 . 13 LEU HA H 4.697 0.005 1
144 . 13 LEU C C 176.440 0.080 1
145 . 13 LEU CB C 41.160 0.080 1
146 . 13 LEU HB2 H 1.863 0.020 1
147 . 13 LEU HB3 H 1.863 0.020 1
148 . 13 LEU CG C 27.479 0.080 1
149 . 13 LEU CD1 C 25.226 0.080 1
150 . 13 LEU HD1 H 1.128 0.002 1
151 . 13 LEU CD2 C 24.582 0.080 1
152 . 13 LEU HD2 H 1.014 0.002 1
153 . 13 LEU HG H 1.886 0.001 1
154 . 14 CYS H H 9.280 0.003 1
155 . 14 CYS N N 119.312 0.070 1
156 . 14 CYS CA C 58.830 0.080 1
157 . 14 CYS HA H 4.742 0.020 1
158 . 14 CYS C C 173.940 0.080 1
159 . 14 CYS CB C 30.537 0.080 1
160 . 14 CYS HB2 H 3.460 0.000 1
161 . 14 CYS HB3 H 3.373 0.020 1
162 . 15 ALA H H 8.876 0.003 1
163 . 15 ALA N N 126.812 0.070 1
164 . 15 ALA CA C 56.400 0.080 1
165 . 15 ALA HA H 3.682 0.002 1
166 . 15 ALA C C 177.730 0.080 1
167 . 15 ALA CB C 19.109 0.080 1
168 . 15 ALA HB H 1.005 0.020 1
169 . 16 GLN H H 8.913 0.020 1
170 . 16 GLN N N 116.031 0.070 1
171 . 16 GLN CA C 58.680 0.080 1
172 . 16 GLN HA H 3.574 0.002 1
173 . 16 GLN C C 175.760 0.080 1
174 . 16 GLN CB C 26.352 0.080 1
175 . 16 GLN HB2 H 1.748 0.003 1
176 . 16 GLN HB3 H 1.395 0.001 1
177 . 16 GLN CG C 32.469 0.080 1
178 . 16 GLN HG2 H 2.217 0.002 1
179 . 16 GLN HG3 H 1.788 0.001 1
180 . 16 GLN NE2 N 110.090 0.070 1
181 . 16 GLN HE21 H 7.656 0.020 1
182 . 16 GLN HE22 H 6.091 0.020 1
183 . 17 HIS H H 6.926 0.003 1
184 . 17 HIS N N 118.531 0.070 1
185 . 17 HIS CA C 57.410 0.080 1
186 . 17 HIS HA H 4.847 0.020 1
187 . 17 HIS C C 176.300 0.080 1
188 . 17 HIS CB C 27.801 0.080 1
189 . 17 HIS HB2 H 3.423 0.002 1
190 . 17 HIS HB3 H 3.181 0.004 1
191 . 18 CYS H H 8.297 0.020 1
192 . 18 CYS N N 119.625 0.070 1
193 . 18 CYS CA C 61.400 0.080 1
194 . 18 CYS HA H 4.504 0.002 1
195 . 18 CYS C C 173.870 0.080 1
196 . 18 CYS CB C 26.352 0.080 1
197 . 18 CYS HB2 H 3.072 0.001 1
198 . 18 CYS HB3 H 2.936 0.002 1
199 . 19 LEU H H 7.401 0.004 1
200 . 19 LEU N N 118.218 0.070 1
201 . 19 LEU CA C 57.830 0.080 1
202 . 19 LEU HA H 3.815 0.005 1
203 . 19 LEU C C 177.830 0.080 1
204 . 19 LEU CB C 41.965 0.080 1
205 . 19 LEU HB2 H 1.404 0.001 1
206 . 19 LEU HB3 H 0.951 0.001 1
207 . 19 LEU CG C 25.869 0.080 1
208 . 19 LEU CD1 C 22.007 0.080 1
209 . 19 LEU HD1 H 0.323 0.020 1
210 . 19 LEU CD2 C 25.226 0.080 1
211 . 19 LEU HD2 H -0.273 0.001 1
212 . 19 LEU HG H 1.423 0.001 1
213 . 20 ASN H H 8.514 0.020 1
214 . 20 ASN N N 120.093 0.070 1
215 . 20 ASN CA C 55.880 0.080 1
216 . 20 ASN HA H 5.013 0.020 1
217 . 20 ASN C C 178.200 0.080 1
218 . 20 ASN CB C 36.975 0.080 1
219 . 20 ASN HB2 H 3.317 0.002 1
220 . 20 ASN HB3 H 2.990 0.004 1
221 . 20 ASN ND2 N 111.500 0.070 1
222 . 20 ASN HD21 H 9.094 0.002 1
223 . 20 ASN HD22 H 7.266 0.020 1
224 . 21 ASN H H 9.074 0.020 1
225 . 21 ASN N N 120.093 0.070 1
226 . 21 ASN CA C 56.010 0.080 1
227 . 21 ASN HA H 4.922 0.020 1
228 . 21 ASN CB C 36.975 0.080 1
229 . 21 ASN HB2 H 3.356 0.003 1
230 . 21 ASN HB3 H 2.872 0.002 1
231 . 21 ASN ND2 N 104.781 0.070 1
232 . 21 ASN HD21 H 7.012 0.003 1
233 . 21 ASN HD22 H 7.012 0.020 1
234 . 22 LEU H H 8.092 0.003 1
235 . 22 LEU N N 121.500 0.070 1
236 . 22 LEU CA C 59.320 0.080 1
237 . 22 LEU HA H 4.045 0.002 1
238 . 22 LEU C C 176.600 0.080 1
239 . 22 LEU CB C 40.999 0.080 1
240 . 22 LEU HB2 H 2.249 0.001 1
241 . 22 LEU HB3 H 1.811 0.002 1
242 . 22 LEU CG C 27.157 0.080 1
243 . 22 LEU CD1 C 23.455 0.080 1
244 . 22 LEU HD1 H 1.268 0.020 1
245 . 22 LEU CD2 C 24.421 0.080 1
246 . 22 LEU HD2 H 0.981 0.001 1
247 . 22 LEU HG H 0.730 0.020 1
248 . 23 LEU H H 7.896 0.003 1
249 . 23 LEU N N 115.250 0.070 1
250 . 23 LEU CA C 55.700 0.080 1
251 . 23 LEU HA H 3.838 0.004 1
252 . 23 LEU C C 176.520 0.080 1
253 . 23 LEU CB C 41.965 0.080 1
254 . 23 LEU HB2 H 1.506 0.002 1
255 . 23 LEU HB3 H 0.882 0.003 1
256 . 23 LEU CG C 27.157 0.080 1
257 . 23 LEU CD1 C 24.260 0.080 1
258 . 23 LEU HD1 H -0.261 0.020 1
259 . 23 LEU CD2 C 21.041 0.080 1
260 . 23 LEU HD2 H -0.033 0.020 1
261 . 23 LEU HG H 1.369 0.003 1
262 . 24 GLN H H 8.438 0.020 1
263 . 24 GLN N N 116.187 0.070 1
264 . 24 GLN CA C 56.010 0.080 1
265 . 24 GLN HA H 3.496 0.001 1
266 . 24 GLN C C 173.660 0.080 1
267 . 24 GLN CB C 26.513 0.080 1
268 . 24 GLN HB2 H 2.511 0.003 1
269 . 24 GLN HB3 H 2.271 0.020 1
270 . 24 GLN CG C 34.883 0.080 1
271 . 24 GLN HG2 H 2.641 0.002 1
272 . 24 GLN HG3 H 2.185 0.002 1
273 . 25 GLY H H 7.593 0.020 1
274 . 25 GLY N N 106.187 0.070 1
275 . 25 GLY CA C 45.506 0.080 1
276 . 25 GLY HA2 H 2.978 0.002 1
277 . 25 GLY HA3 H 2.588 0.005 1
278 . 25 GLY C C 170.410 0.080 1
279 . 26 GLU H H 7.759 0.020 1
280 . 26 GLU N N 119.000 0.070 1
281 . 26 GLU CA C 54.900 0.080 1
282 . 26 GLU HA H 4.093 0.003 1
283 . 26 GLU C C 175.450 0.080 1
284 . 26 GLU CB C 28.123 0.080 1
285 . 26 GLU HB2 H 1.968 0.001 1
286 . 26 GLU HB3 H 1.777 0.001 1
287 . 26 GLU CG C 36.331 0.080 1
288 . 26 GLU HG2 H 2.400 0.008 1
289 . 26 GLU HG3 H 2.220 0.002 1
290 . 27 TYR H H 7.634 0.005 1
291 . 27 TYR N N 124.468 0.070 1
292 . 27 TYR CA C 59.570 0.080 1
293 . 27 TYR HA H 4.412 0.002 1
294 . 27 TYR C C 176.130 0.080 1
295 . 27 TYR CB C 41.321 0.080 1
296 . 27 TYR HB2 H 2.670 0.003 1
297 . 27 TYR HB3 H 2.258 0.001 1
298 . 27 TYR CD1 C 133.430 0.080 1
299 . 27 TYR HD1 H 6.777 0.020 1
300 . 27 TYR CD2 C 133.430 0.080 1
301 . 27 TYR HD2 H 6.777 0.020 1
302 . 27 TYR CE1 C 117.064 0.080 1
303 . 27 TYR HE1 H 6.357 0.020 1
304 . 27 TYR CE2 C 117.064 0.080 1
305 . 27 TYR HE2 H 6.357 0.020 1
306 . 28 PHE H H 10.207 0.001 1
307 . 28 PHE N N 119.156 0.070 1
308 . 28 PHE CA C 58.690 0.080 1
309 . 28 PHE HA H 4.754 0.002 1
310 . 28 PHE C C 174.500 0.080 1
311 . 28 PHE CB C 42.770 0.080 1
312 . 28 PHE HB2 H 2.886 0.020 1
313 . 28 PHE HB3 H 2.651 0.004 1
314 . 28 PHE CD1 C 131.978 0.080 1
315 . 28 PHE HD1 H 7.075 0.020 1
316 . 28 PHE CD2 C 131.978 0.080 1
317 . 28 PHE HD2 H 7.075 0.020 1
318 . 28 PHE CE1 C 131.186 0.080 1
319 . 28 PHE HE1 H 7.093 0.020 1
320 . 28 PHE CE2 C 131.186 0.080 1
321 . 28 PHE HE2 H 7.093 0.020 1
322 . 28 PHE CZ C 129.998 0.080 1
323 . 28 PHE HZ H 7.322 0.002 1
324 . 29 SER H H 8.489 0.006 1
325 . 29 SER N N 119.625 0.070 1
326 . 29 SER CA C 55.700 0.080 1
327 . 29 SER HA H 5.024 0.008 1
328 . 29 SER CB C 65.540 0.080 1
329 . 29 SER HB2 H 4.418 0.020 1
330 . 29 SER HB3 H 3.953 0.002 1
331 . 30 PRO CA C 65.710 0.080 1
332 . 30 PRO HA H 4.153 0.002 1
333 . 30 PRO C C 178.320 0.080 1
334 . 30 PRO CB C 31.986 0.080 1
335 . 30 PRO HB2 H 2.529 0.002 1
336 . 30 PRO HB3 H 2.112 0.002 1
337 . 30 PRO CG C 28.767 0.080 1
338 . 30 PRO HG2 H 2.306 0.002 1
339 . 30 PRO HG3 H 1.942 0.001 1
340 . 30 PRO CD C 51.000 0.080 1
341 . 30 PRO HD2 H 3.968 0.020 1
342 . 30 PRO HD3 H 3.968 0.020 1
343 . 31 VAL H H 7.705 0.002 1
344 . 31 VAL N N 117.437 0.070 1
345 . 31 VAL CA C 65.750 0.080 1
346 . 31 VAL HA H 3.801 0.002 1
347 . 31 VAL CB C 31.986 0.080 1
348 . 31 VAL HB H 1.920 0.001 1
349 . 31 VAL CG1 C 22.007 0.080 1
350 . 31 VAL HG1 H 1.034 0.001 1
351 . 31 VAL CG2 C 20.719 0.080 1
352 . 31 VAL HG2 H 0.935 0.001 1
353 . 32 GLU H H 7.953 0.003 1
354 . 32 GLU N N 121.187 0.070 1
355 . 32 GLU CA C 60.360 0.080 1
356 . 32 GLU HA H 4.208 0.001 1
357 . 32 GLU C C 179.500 0.080 1
358 . 32 GLU CB C 30.215 0.080 1
359 . 32 GLU HB2 H 2.445 0.020 1
360 . 32 GLU HB3 H 2.204 0.002 1
361 . 32 GLU CG C 37.136 0.080 1
362 . 32 GLU HG2 H 2.592 0.001 1
363 . 32 GLU HG3 H 2.335 0.001 1
364 . 33 LEU H H 7.283 0.008 1
365 . 33 LEU N N 116.812 0.070 1
366 . 33 LEU CA C 57.630 0.080 1
367 . 33 LEU HA H 3.829 0.003 1
368 . 33 LEU C C 178.150 0.080 1
369 . 33 LEU CB C 40.516 0.080 1
370 . 33 LEU HB2 H 1.293 0.002 1
371 . 33 LEU HB3 H 0.382 0.004 1
372 . 33 LEU CG C 26.674 0.080 1
373 . 33 LEU CD1 C 25.548 0.080 1
374 . 33 LEU HD1 H 0.136 0.020 1
375 . 33 LEU CD2 C 22.007 0.080 1
376 . 33 LEU HD2 H 0.091 0.001 1
377 . 33 LEU HG H 1.452 0.001 1
378 . 34 SER H H 8.376 0.001 1
379 . 34 SER N N 114.937 0.070 1
380 . 34 SER CA C 61.890 0.080 1
381 . 34 SER HA H 4.489 0.004 1
382 . 34 SER C C 176.770 0.080 1
383 . 34 SER CB C 62.870 0.080 1
384 . 34 SER HB2 H 4.070 0.020 1
385 . 34 SER HB3 H 3.987 0.001 1
386 . 35 SER H H 8.015 0.004 1
387 . 35 SER N N 118.218 0.070 1
388 . 35 SER CA C 61.960 0.080 1
389 . 35 SER HA H 4.353 0.002 1
390 . 35 SER C C 177.420 0.080 1
391 . 35 SER CB C 62.650 0.080 1
392 . 35 SER HB2 H 4.114 0.001 1
393 . 35 SER HB3 H 4.074 0.020 1
394 . 36 ILE H H 7.729 0.004 1
395 . 36 ILE N N 122.906 0.070 1
396 . 36 ILE CA C 65.310 0.080 1
397 . 36 ILE HA H 3.790 0.001 1
398 . 36 ILE C C 178.070 0.080 1
399 . 36 ILE CB C 38.263 0.080 1
400 . 36 ILE HB H 1.941 0.020 1
401 . 36 ILE CG2 C 21.041 0.080 1
402 . 36 ILE HG2 H 0.653 0.001 1
403 . 36 ILE CG1 C 28.767 0.080 1
404 . 36 ILE HG12 H 1.980 0.000 1
405 . 36 ILE HG13 H 1.077 0.020 1
406 . 36 ILE CD1 C 13.315 0.080 1
407 . 36 ILE HD1 H 0.857 0.001 1
408 . 37 ALA H H 8.261 0.005 1
409 . 37 ALA N N 121.500 0.070 1
410 . 37 ALA CA C 55.920 0.080 1
411 . 37 ALA HA H 3.851 0.002 1
412 . 37 ALA C C 178.800 0.080 1
413 . 37 ALA CB C 18.627 0.080 1
414 . 37 ALA HB H 1.562 0.020 1
415 . 38 HIS H H 8.586 0.003 1
416 . 38 HIS N N 114.937 0.070 1
417 . 38 HIS CA C 58.830 0.080 1
418 . 38 HIS HA H 4.524 0.003 1
419 . 38 HIS C C 177.440 0.080 1
420 . 38 HIS CB C 28.606 0.080 1
421 . 38 HIS HB2 H 3.409 0.020 1
422 . 38 HIS HB3 H 3.409 0.020 1
423 . 38 HIS CD2 C 119.968 0.080 1
424 . 38 HIS HD2 H 7.342 0.020 1
425 . 38 HIS CE1 C 136.730 0.000 1
426 . 38 HIS HE1 H 8.460 0.000 1
427 . 39 GLN H H 8.122 0.003 1
428 . 39 GLN N N 120.875 0.070 1
429 . 39 GLN CA C 57.940 0.080 1
430 . 39 GLN HA H 4.087 0.020 1
431 . 39 GLN C C 178.650 0.080 1
432 . 39 GLN CB C 28.123 0.080 1
433 . 39 GLN HB2 H 2.269 0.020 1
434 . 39 GLN HB3 H 2.269 0.020 1
435 . 39 GLN CG C 33.595 0.080 1
436 . 39 GLN HG2 H 2.527 0.004 1
437 . 39 GLN HG3 H 2.390 0.006 1
438 . 39 GLN NE2 N 112.124 0.070 1
439 . 39 GLN HE21 H 7.592 0.020 1
440 . 39 GLN HE22 H 6.813 0.020 1
441 . 40 LEU H H 8.219 0.003 1
442 . 40 LEU N N 120.562 0.070 1
443 . 40 LEU CA C 57.900 0.080 1
444 . 40 LEU HA H 4.089 0.002 1
445 . 40 LEU C C 180.130 0.080 1
446 . 40 LEU CB C 42.126 0.080 1
447 . 40 LEU HB2 H 1.881 0.002 1
448 . 40 LEU HB3 H 1.440 0.001 1
449 . 40 LEU CG C 26.674 0.080 1
450 . 40 LEU CD1 C 22.811 0.080 1
451 . 40 LEU HD1 H 0.802 0.003 1
452 . 40 LEU CD2 C 26.835 0.080 1
453 . 40 LEU HD2 H 0.656 0.001 1
454 . 40 LEU HG H 1.783 0.001 1
455 . 41 ASP H H 8.461 0.002 1
456 . 41 ASP N N 121.343 0.070 1
457 . 41 ASP CA C 57.500 0.080 1
458 . 41 ASP HA H 4.469 0.001 1
459 . 41 ASP C C 178.940 0.080 1
460 . 41 ASP CB C 40.194 0.080 1
461 . 41 ASP HB2 H 2.980 0.003 1
462 . 41 ASP HB3 H 2.790 0.003 1
463 . 42 GLU H H 8.216 0.008 1
464 . 42 GLU N N 121.343 0.070 1
465 . 42 GLU CA C 59.100 0.080 1
466 . 42 GLU HA H 4.100 0.001 1
467 . 42 GLU C C 178.700 0.080 1
468 . 42 GLU CB C 29.571 0.080 1
469 . 42 GLU HB2 H 2.211 0.020 1
470 . 42 GLU HB3 H 2.107 0.020 1
471 . 42 GLU CG C 36.492 0.080 1
472 . 42 GLU HG2 H 2.536 0.002 1
473 . 42 GLU HG3 H 2.277 0.001 1
474 . 43 GLU H H 8.218 0.002 1
475 . 43 GLU N N 120.250 0.070 1
476 . 43 GLU CA C 59.550 0.080 1
477 . 43 GLU HA H 4.039 0.001 1
478 . 43 GLU C C 179.510 0.080 1
479 . 43 GLU CB C 29.410 0.080 1
480 . 43 GLU HB2 H 2.210 0.001 1
481 . 43 GLU HB3 H 2.109 0.002 1
482 . 43 GLU CG C 36.500 0.080 1
483 . 43 GLU HG2 H 2.536 0.020 1
484 . 43 GLU HG3 H 2.536 0.020 1
485 . 44 GLU H H 8.099 0.005 1
486 . 44 GLU N N 120.250 0.070 1
487 . 44 GLU CA C 59.260 0.080 1
488 . 44 GLU HA H 4.129 0.003 1
489 . 44 GLU CB C 29.250 0.080 1
490 . 44 GLU HB2 H 2.219 0.020 1
491 . 44 GLU HB3 H 2.114 0.001 1
492 . 44 GLU CG C 36.010 0.080 1
493 . 44 GLU HG2 H 2.353 0.020 1
494 . 44 GLU HG3 H 2.353 0.020 1
495 . 45 ARG CA C 59.900 0.080 1
496 . 45 ARG HA H 3.939 0.002 1
497 . 45 ARG C C 179.190 0.080 1
498 . 45 ARG CB C 29.732 0.080 1
499 . 45 ARG HB2 H 2.011 0.020 1
500 . 45 ARG HB3 H 2.011 0.020 1
501 . 45 ARG CG C 27.962 0.080 1
502 . 45 ARG HG2 H 1.803 0.003 1
503 . 45 ARG HG3 H 1.679 0.001 1
504 . 45 ARG HD2 H 3.270 0.000 1
505 . 45 ARG HD3 H 3.216 0.020 1
506 . 45 ARG NE N 83.840 0.000 1
507 . 45 ARG HE H 7.770 0.000 1
508 . 46 MET H H 8.219 0.001 1
509 . 46 MET N N 117.910 0.070 1
510 . 46 MET CA C 58.140 0.080 1
511 . 46 MET HA H 4.201 0.002 1
512 . 46 MET C C 178.560 0.080 1
513 . 46 MET CB C 32.308 0.080 1
514 . 46 MET HB2 H 2.208 0.018 1
515 . 46 MET HB3 H 2.149 0.020 1
516 . 46 MET CG C 32.308 0.080 1
517 . 46 MET HG2 H 2.755 0.001 1
518 . 46 MET HG3 H 2.587 0.001 1
519 . 46 MET CE C 16.850 0.000 1
520 . 46 MET HE H 2.093 0.000 1
521 . 47 ARG H H 7.883 0.001 1
522 . 47 ARG N N 120.070 0.070 1
523 . 47 ARG CA C 59.000 0.080 1
524 . 47 ARG HA H 4.141 0.020 1
525 . 47 ARG C C 179.260 0.080 1
526 . 47 ARG CB C 30.376 0.080 1
527 . 47 ARG HB2 H 1.966 0.020 1
528 . 47 ARG HB3 H 1.913 0.001 1
529 . 47 ARG CG C 27.962 0.080 1
530 . 47 ARG HG2 H 1.778 0.002 1
531 . 47 ARG HG3 H 1.609 0.001 1
532 . 47 ARG CD C 43.413 0.080 1
533 . 47 ARG HD2 H 3.232 0.020 1
534 . 47 ARG HD3 H 3.232 0.020 1
535 . 48 MET H H 8.062 0.008 1
536 . 48 MET N N 118.530 0.070 1
537 . 48 MET CA C 56.990 0.080 1
538 . 48 MET HA H 4.282 0.002 1
539 . 48 MET C C 175.890 0.080 1
540 . 48 MET CB C 30.215 0.080 1
541 . 48 MET HB2 H 2.068 0.002 1
542 . 48 MET HB3 H 1.973 0.002 1
543 . 48 MET CG C 32.147 0.080 1
544 . 48 MET HG2 H 2.440 0.020 1
545 . 48 MET HG3 H 2.361 0.003 1
546 . 48 MET CE C 16.856 0.000 1
547 . 48 MET HE H 1.977 0.000 1
548 . 49 ALA H H 8.019 0.002 1
549 . 49 ALA N N 122.437 0.070 1
550 . 49 ALA CA C 53.540 0.080 1
551 . 49 ALA HA H 4.026 0.002 1
552 . 49 ALA C C 179.090 0.080 1
553 . 49 ALA CB C 18.627 0.080 1
554 . 49 ALA HB H 1.421 0.020 1
555 . 50 GLU H H 7.883 0.003 1
556 . 50 GLU N N 119.000 0.070 1
557 . 50 GLU CA C 57.650 0.080 1
558 . 50 GLU HA H 4.179 0.006 1
559 . 50 GLU C C 177.630 0.080 1
560 . 50 GLU CB C 29.893 0.080 1
561 . 50 GLU HB2 H 2.090 0.020 1
562 . 50 GLU HB3 H 2.090 0.020 1
563 . 50 GLU CG C 36.170 0.080 1
564 . 50 GLU HG2 H 2.437 0.020 1
565 . 50 GLU HG3 H 2.297 0.020 1
566 . 51 GLY H H 8.025 0.001 1
567 . 51 GLY N N 107.437 0.070 1
568 . 51 GLY CA C 45.506 0.080 1
569 . 51 GLY HA2 H 4.065 0.002 1
570 . 51 GLY HA3 H 3.979 0.002 1
571 . 51 GLY C C 174.740 0.080 1
572 . 52 GLY H H 8.024 0.020 1
573 . 52 GLY N N 108.687 0.070 1
574 . 52 GLY CA C 45.184 0.080 1
575 . 52 GLY HA2 H 4.133 0.002 1
576 . 52 GLY HA3 H 3.920 0.001 1
577 . 52 GLY C C 174.510 0.080 1
578 . 53 VAL H H 8.050 0.003 1
579 . 53 VAL N N 118.687 0.070 1
580 . 53 VAL CA C 62.300 0.080 1
581 . 53 VAL HA H 4.127 0.001 1
582 . 53 VAL C C 176.400 0.080 1
583 . 53 VAL CB C 32.469 0.080 1
584 . 53 VAL HB H 2.141 0.003 1
585 . 53 VAL CG1 C 20.075 0.080 1
586 . 53 VAL HG1 H 0.930 0.020 1
587 . 53 VAL CG2 C 21.360 0.080 1
588 . 53 VAL HG2 H 0.880 0.020 1
589 . 54 THR H H 8.253 0.005 1
590 . 54 THR N N 114.937 0.070 1
591 . 54 THR CA C 61.300 0.080 1
592 . 54 THR HA H 4.466 0.001 1
593 . 54 THR C C 174.850 0.080 1
594 . 54 THR CB C 69.860 0.080 1
595 . 54 THR HB H 4.425 0.002 1
596 . 54 THR CG2 C 21.363 0.080 1
597 . 54 THR HG2 H 1.228 0.002 1
598 . 55 SER H H 8.234 0.001 1
599 . 55 SER N N 117.906 0.070 1
600 . 55 SER CA C 58.720 0.080 1
601 . 55 SER HA H 4.419 0.002 1
602 . 55 SER C C 175.330 0.080 1
603 . 55 SER CB C 63.830 0.080 1
604 . 55 SER HB2 H 4.054 0.001 1
605 . 55 SER HB3 H 3.928 0.001 1
606 . 56 GLU H H 8.707 0.002 1
607 . 56 GLU N N 122.906 0.070 1
608 . 56 GLU CA C 58.400 0.080 1
609 . 56 GLU HA H 4.183 0.001 1
610 . 56 GLU C C 177.460 0.080 1
611 . 56 GLU CB C 29.732 0.080 1
612 . 56 GLU HB2 H 2.043 0.020 1
613 . 56 GLU HB3 H 1.975 0.020 1
614 . 56 GLU CG C 36.170 0.080 1
615 . 56 GLU HG2 H 2.296 0.020 1
616 . 56 GLU HG3 H 2.296 0.020 1
617 . 57 ASP H H 8.244 0.001 1
618 . 57 ASP N N 119.781 0.070 1
619 . 57 ASP CA C 55.610 0.080 1
620 . 57 ASP HA H 4.489 0.002 1
621 . 57 ASP C C 177.470 0.080 1
622 . 57 ASP CB C 40.677 0.080 1
623 . 57 ASP HB2 H 2.652 0.020 1
624 . 57 ASP HB3 H 2.652 0.020 1
625 . 58 TYR H H 8.066 0.003 1
626 . 58 TYR N N 121.656 0.070 1
627 . 58 TYR CA C 59.980 0.080 1
628 . 58 TYR HA H 4.330 0.002 1
629 . 58 TYR CB C 38.424 0.080 1
630 . 58 TYR HB2 H 3.061 0.020 1
631 . 58 TYR HB3 H 3.061 0.020 1
632 . 58 TYR CD1 C 133.034 0.080 1
633 . 58 TYR HD1 H 7.062 0.020 1
634 . 58 TYR CD2 C 133.034 0.080 1
635 . 58 TYR HD2 H 7.062 0.020 1
636 . 58 TYR CE1 C 118.120 0.080 1
637 . 58 TYR HE1 H 6.832 0.020 1
638 . 58 TYR CE2 C 118.120 0.080 1
639 . 58 TYR HE2 H 6.832 0.020 1
640 . 59 ARG H H 8.027 0.020 1
641 . 59 ARG N N 119.625 0.070 1
642 . 59 ARG CA C 58.370 0.080 1
643 . 59 ARG HA H 4.009 0.003 1
644 . 59 ARG C C 178.120 0.080 1
645 . 59 ARG CB C 30.376 0.080 1
646 . 59 ARG HB2 H 1.823 0.020 1
647 . 59 ARG HB3 H 1.823 0.020 1
648 . 59 ARG CG C 27.479 0.080 1
649 . 59 ARG HG2 H 1.563 0.020 1
650 . 59 ARG HG3 H 1.563 0.020 1
651 . 59 ARG CD C 43.252 0.080 1
652 . 59 ARG HD2 H 3.171 0.020 1
653 . 59 ARG HD3 H 3.171 0.020 1
654 . 60 THR H H 8.075 0.002 1
655 . 60 THR N N 114.156 0.070 1
656 . 60 THR CA C 64.230 0.080 1
657 . 60 THR HA H 4.066 0.002 1
658 . 60 THR C C 175.620 0.080 1
659 . 60 THR CB C 69.080 0.080 1
660 . 60 THR HB H 4.184 0.020 1
661 . 60 THR CG2 C 21.685 0.080 1
662 . 60 THR HG2 H 1.153 0.001 1
663 . 61 PHE H H 7.938 0.001 1
664 . 61 PHE N N 122.593 0.070 1
665 . 61 PHE CA C 59.530 0.080 1
666 . 61 PHE HA H 4.443 0.002 1
667 . 61 PHE C C 176.710 0.080 1
668 . 61 PHE CB C 39.068 0.080 1
669 . 61 PHE HB2 H 3.197 0.020 1
670 . 61 PHE HB3 H 3.137 0.020 1
671 . 61 PHE CD1 C 131.714 0.080 1
672 . 61 PHE HD1 H 7.175 0.020 1
673 . 61 PHE CD2 C 131.714 0.080 1
674 . 61 PHE HD2 H 7.175 0.020 1
675 . 61 PHE CE1 C 131.582 0.080 1
676 . 61 PHE HE1 H 7.306 0.020 1
677 . 61 PHE CE2 C 131.582 0.080 1
678 . 61 PHE HE2 H 7.306 0.020 1
679 . 61 PHE CZ C 129.870 0.000 1
680 . 61 PHE HZ H 7.280 0.000 1
681 . 62 LEU H H 7.945 0.004 1
682 . 62 LEU N N 120.406 0.070 1
683 . 62 LEU CA C 55.930 0.080 1
684 . 62 LEU HA H 4.034 0.002 1
685 . 62 LEU C C 177.420 0.080 1
686 . 62 LEU CB C 42.287 0.080 1
687 . 62 LEU HB2 H 1.642 0.001 1
688 . 62 LEU HB3 H 1.492 0.001 1
689 . 62 LEU CG C 26.513 0.080 1
690 . 62 LEU CD1 C 24.904 0.080 1
691 . 62 LEU HD1 H 0.836 0.004 1
692 . 62 LEU CD2 C 22.972 0.080 1
693 . 62 LEU HD2 H 0.820 0.001 1
694 . 62 LEU HG H 1.501 0.020 1
695 . 63 GLN H H 7.783 0.002 1
696 . 63 GLN N N 117.593 0.070 1
697 . 63 GLN CA C 55.720 0.080 1
698 . 63 GLN HA H 4.244 0.004 1
699 . 63 GLN C C 175.810 0.080 1
700 . 63 GLN CB C 29.089 0.080 1
701 . 63 GLN HB2 H 2.148 0.001 1
702 . 63 GLN HB3 H 2.019 0.002 1
703 . 63 GLN CG C 33.917 0.080 1
704 . 63 GLN HG2 H 2.353 0.020 1
705 . 63 GLN HG3 H 2.353 0.020 1
706 . 63 GLN NE2 N 111.970 0.000 1
707 . 63 GLN HE21 H 7.460 0.000 1
708 . 63 GLN HE22 H 6.824 0.000 1
709 . 64 GLN H H 7.912 0.006 1
710 . 64 GLN N N 121.187 0.070 1
711 . 64 GLN CA C 53.610 0.080 1
712 . 64 GLN HA H 4.553 0.002 1
713 . 64 GLN CB C 28.606 0.080 1
714 . 64 GLN HB2 H 2.070 0.001 1
715 . 64 GLN HB3 H 1.910 0.020 1
716 . 64 GLN CG C 33.434 0.080 1
717 . 64 GLN HG2 H 2.413 0.020 1
718 . 64 GLN HG3 H 2.413 0.020 1
719 . 64 GLN NE2 N 112.437 0.000 1
720 . 64 GLN HE21 H 7.444 0.000 1
721 . 64 GLN HE22 H 6.870 0.000 1
722 . 65 PRO CA C 63.020 0.080 1
723 . 65 PRO HA H 4.418 0.001 1
724 . 65 PRO C C 176.620 0.080 1
725 . 65 PRO CB C 32.147 0.080 1
726 . 65 PRO HB2 H 2.285 0.002 1
727 . 65 PRO HB3 H 1.919 0.001 1
728 . 65 PRO CG C 27.479 0.080 1
729 . 65 PRO HG2 H 1.970 0.020 1
730 . 65 PRO HG3 H 1.970 0.020 1
731 . 65 PRO CD C 50.600 0.080 1
732 . 65 PRO HD2 H 3.741 0.020 1
733 . 65 PRO HD3 H 3.603 0.020 1
734 . 66 SER H H 8.411 0.020 1
735 . 66 SER N N 115.406 0.070 1
736 . 66 SER CA C 58.620 0.080 1
737 . 66 SER HA H 4.344 0.001 1
738 . 66 SER C C 175.840 0.080 1
739 . 66 SER CB C 63.860 0.080 1
740 . 66 SER HB2 H 3.962 0.020 1
741 . 66 SER HB3 H 3.962 0.020 1
742 . 67 GLY H H 8.720 0.020 1
743 . 67 GLY N N 112.437 0.070 1
744 . 67 GLY CA C 45.184 0.080 1
745 . 67 GLY HA2 H 4.230 0.020 1
746 . 67 GLY HA3 H 3.972 0.020 1
747 . 67 GLY C C 174.340 0.080 1
748 . 68 ASN H H 9.038 0.020 1
749 . 68 ASN N N 118.531 0.070 1
750 . 68 ASN CA C 54.650 0.080 1
751 . 68 ASN HA H 4.785 0.020 1
752 . 68 ASN C C 173.830 0.080 1
753 . 68 ASN CB C 40.838 0.080 1
754 . 68 ASN HB2 H 2.657 0.020 1
755 . 68 ASN HB3 H 2.657 0.020 1
756 . 68 ASN ND2 N 117.440 0.070 1
757 . 68 ASN HD21 H 8.280 0.020 1
758 . 68 ASN HD22 H 7.300 0.020 1
759 . 69 MET H H 8.000 0.001 1
760 . 69 MET N N 117.281 0.070 1
761 . 69 MET CA C 55.510 0.080 1
762 . 69 MET HA H 4.849 0.006 1
763 . 69 MET C C 174.700 0.080 1
764 . 69 MET CB C 34.883 0.080 1
765 . 69 MET HB2 H 1.951 0.004 1
766 . 69 MET HB3 H 1.862 0.002 1
767 . 69 MET CG C 31.020 0.080 1
768 . 69 MET HG2 H 2.366 0.001 1
769 . 69 MET HG3 H 2.239 0.002 1
770 . 69 MET CE C 17.178 0.000 1
771 . 69 MET HE H 2.041 0.000 1
772 . 70 ASP H H 7.980 0.020 1
773 . 70 ASP N N 119.625 0.070 1
774 . 70 ASP CA C 53.680 0.080 1
775 . 70 ASP HA H 4.772 0.020 1
776 . 70 ASP C C 176.380 0.080 1
777 . 70 ASP CB C 42.609 0.080 1
778 . 70 ASP HB2 H 3.041 0.020 1
779 . 70 ASP HB3 H 2.745 0.003 1
780 . 71 ASP H H 8.314 0.003 1
781 . 71 ASP N N 118.218 0.070 1
782 . 71 ASP CA C 55.290 0.080 1
783 . 71 ASP HA H 4.614 0.002 1
784 . 71 ASP C C 177.050 0.080 1
785 . 71 ASP CB C 40.677 0.080 1
786 . 71 ASP HB2 H 2.782 0.002 1
787 . 71 ASP HB3 H 2.714 0.004 1
788 . 72 SER H H 8.634 0.001 1
789 . 72 SER N N 116.343 0.070 1
790 . 72 SER CA C 59.100 0.080 1
791 . 72 SER HA H 4.488 0.002 1
792 . 72 SER C C 174.560 0.080 1
793 . 72 SER CB C 64.390 0.080 1
794 . 72 SER HB2 H 3.945 0.020 1
795 . 72 SER HB3 H 3.945 0.020 1
796 . 73 GLY H H 7.912 0.002 1
797 . 73 GLY N N 108.687 0.070 1
798 . 73 GLY CA C 45.184 0.080 1
799 . 73 GLY HA2 H 4.343 0.004 1
800 . 73 GLY HA3 H 3.691 0.001 1
801 . 73 GLY C C 173.610 0.080 1
802 . 74 PHE H H 7.923 0.008 1
803 . 74 PHE N N 121.343 0.070 1
804 . 74 PHE CA C 58.660 0.080 1
805 . 74 PHE HA H 4.505 0.001 1
806 . 74 PHE C C 174.650 0.080 1
807 . 74 PHE CB C 39.711 0.080 1
808 . 74 PHE HB2 H 3.013 0.002 1
809 . 74 PHE HB3 H 2.753 0.002 1
810 . 74 PHE CD1 C 131.582 0.080 1
811 . 74 PHE HD1 H 6.898 0.020 1
812 . 74 PHE CD2 C 131.582 0.080 1
813 . 74 PHE HD2 H 6.898 0.020 1
814 . 74 PHE CE1 C 131.582 0.080 1
815 . 74 PHE HE1 H 7.231 0.020 1
816 . 74 PHE CE2 C 131.582 0.080 1
817 . 74 PHE HE2 H 7.231 0.020 1
818 . 75 PHE H H 7.634 0.020 1
819 . 75 PHE N N 122.593 0.070 1
820 . 75 PHE CA C 57.450 0.080 1
821 . 75 PHE HA H 4.769 0.020 1
822 . 75 PHE C C 174.480 0.080 1
823 . 75 PHE CB C 42.770 0.080 1
824 . 75 PHE HB2 H 2.724 0.020 1
825 . 75 PHE HB3 H 2.724 0.020 1
826 . 75 PHE CD1 C 131.846 0.080 1
827 . 75 PHE HD1 H 7.148 0.020 1
828 . 75 PHE CD2 C 131.846 0.080 1
829 . 75 PHE HD2 H 7.148 0.020 1
830 . 75 PHE CE1 C 131.840 0.000 1
831 . 75 PHE HE1 H 7.180 0.000 1
832 . 75 PHE CE2 C 131.840 0.000 1
833 . 75 PHE HE2 H 7.180 0.000 1
834 . 75 PHE CZ C 129.600 0.000 1
835 . 75 PHE HZ H 7.210 0.000 1
836 . 76 SER H H 7.924 0.020 1
837 . 76 SER N N 115.560 0.070 1
838 . 76 SER CA C 57.180 0.080 1
839 . 76 SER HA H 4.486 0.003 1
840 . 76 SER C C 175.380 0.080 1
841 . 76 SER CB C 65.980 0.080 1
842 . 76 SER HB2 H 4.622 0.001 1
843 . 76 SER HB3 H 4.295 0.020 1
844 . 77 ILE H H 8.996 0.020 1
845 . 77 ILE N N 119.312 0.070 1
846 . 77 ILE CA C 62.810 0.080 1
847 . 77 ILE HA H 3.894 0.020 1
848 . 77 ILE C C 177.050 0.080 1
849 . 77 ILE CB C 37.941 0.080 1
850 . 77 ILE HB H 2.009 0.001 1
851 . 77 ILE CG2 C 17.822 0.080 1
852 . 77 ILE HG2 H 0.975 0.020 1
853 . 77 ILE CG1 C 29.410 0.080 1
854 . 77 ILE HG12 H 1.429 0.003 1
855 . 77 ILE HG13 H 1.295 0.003 1
856 . 77 ILE CD1 C 14.120 0.080 1
857 . 77 ILE HD1 H 0.681 0.001 1
858 . 78 GLN H H 8.094 0.020 1
859 . 78 GLN N N 120.562 0.070 1
860 . 78 GLN CA C 59.580 0.080 1
861 . 78 GLN HA H 3.992 0.004 1
862 . 78 GLN C C 178.660 0.080 1
863 . 78 GLN CB C 28.284 0.080 1
864 . 78 GLN HB2 H 2.089 0.002 1
865 . 78 GLN HB3 H 1.936 0.001 1
866 . 78 GLN CG C 34.883 0.080 1
867 . 78 GLN HG2 H 2.499 0.004 1
868 . 78 GLN HG3 H 2.414 0.004 1
869 . 78 GLN NE2 N 112.437 0.070 1
870 . 78 GLN HE21 H 7.526 0.002 1
871 . 78 GLN HE22 H 6.945 0.001 1
872 . 79 VAL H H 7.507 0.003 1
873 . 79 VAL N N 121.187 0.070 1
874 . 79 VAL CA C 66.210 0.080 1
875 . 79 VAL HA H 3.370 0.001 1
876 . 79 VAL C C 176.620 0.080 1
877 . 79 VAL CB C 31.181 0.080 1
878 . 79 VAL HB H 2.309 0.002 1
879 . 79 VAL CG1 C 23.616 0.080 1
880 . 79 VAL HG1 H 1.138 0.002 1
881 . 79 VAL CG2 C 21.202 0.080 1
882 . 79 VAL HG2 H 0.649 0.001 1
883 . 80 ILE H H 7.071 0.001 1
884 . 80 ILE N N 119.312 0.070 1
885 . 80 ILE CA C 63.270 0.080 1
886 . 80 ILE HA H 3.005 0.001 1
887 . 80 ILE C C 177.580 0.080 1
888 . 80 ILE CB C 35.849 0.080 1
889 . 80 ILE HB H 1.326 0.001 1
890 . 80 ILE CG2 C 17.339 0.080 1
891 . 80 ILE HG2 H 0.170 0.002 1
892 . 80 ILE CG1 C 27.640 0.080 1
893 . 80 ILE HG12 H 0.334 0.001 1
894 . 80 ILE HG13 H -0.282 0.001 1
895 . 80 ILE CD1 C 9.452 0.080 1
896 . 80 ILE HD1 H -0.434 0.001 1
897 . 81 SER H H 8.731 0.001 1
898 . 81 SER N N 113.374 0.070 1
899 . 81 SER CA C 61.900 0.080 1
900 . 81 SER HA H 3.834 0.020 1
901 . 81 SER C C 177.760 0.080 1
902 . 81 SER CB C 62.800 0.080 1
903 . 81 SER HB2 H 3.845 0.020 1
904 . 81 SER HB3 H 3.796 0.001 1
905 . 82 ASN H H 8.048 0.020 1
906 . 82 ASN N N 121.500 0.070 1
907 . 82 ASN CA C 56.700 0.080 1
908 . 82 ASN HA H 4.327 0.002 1
909 . 82 ASN C C 177.730 0.080 1
910 . 82 ASN CB C 38.263 0.080 1
911 . 82 ASN HB2 H 2.893 0.020 1
912 . 82 ASN HB3 H 2.638 0.020 1
913 . 82 ASN ND2 N 111.968 0.070 1
914 . 82 ASN HD21 H 7.474 0.001 1
915 . 82 ASN HD22 H 7.210 0.020 1
916 . 83 ALA H H 8.365 0.001 1
917 . 83 ALA N N 123.843 0.070 1
918 . 83 ALA CA C 55.070 0.080 1
919 . 83 ALA HA H 4.088 0.001 1
920 . 83 ALA C C 179.240 0.080 1
921 . 83 ALA CB C 17.822 0.080 1
922 . 83 ALA HB H 1.032 0.001 1
923 . 84 LEU H H 7.636 0.004 1
924 . 84 LEU N N 113.218 0.070 1
925 . 84 LEU CA C 56.370 0.080 1
926 . 84 LEU HA H 4.286 0.001 1
927 . 84 LEU C C 179.530 0.080 1
928 . 84 LEU CB C 41.160 0.080 1
929 . 84 LEU HB2 H 1.687 0.001 1
930 . 84 LEU HB3 H 1.464 0.001 1
931 . 84 LEU CG C 26.513 0.080 1
932 . 84 LEU CD1 C 22.650 0.080 1
933 . 84 LEU HD1 H 0.584 0.020 1
934 . 84 LEU CD2 C 26.191 0.080 1
935 . 84 LEU HD2 H 0.475 0.020 1
936 . 84 LEU HG H 1.602 0.002 1
937 . 85 LYS H H 7.968 0.002 1
938 . 85 LYS N N 122.593 0.070 1
939 . 85 LYS CA C 59.680 0.080 1
940 . 85 LYS HA H 4.234 0.002 1
941 . 85 LYS C C 180.520 0.080 1
942 . 85 LYS CB C 32.147 0.080 1
943 . 85 LYS HB2 H 2.078 0.001 1
944 . 85 LYS HB3 H 1.989 0.002 1
945 . 85 LYS CG C 25.065 0.080 1
946 . 85 LYS HG2 H 1.633 0.004 1
947 . 85 LYS HG3 H 1.542 0.001 1
948 . 85 LYS CD C 29.410 0.080 1
949 . 85 LYS HD2 H 1.700 0.020 1
950 . 85 LYS HD3 H 1.700 0.020 1
951 . 85 LYS CE C 42.287 0.080 1
952 . 85 LYS HE2 H 2.965 0.020 1
953 . 85 LYS HE3 H 2.965 0.020 1
954 . 86 VAL H H 7.316 0.003 1
955 . 86 VAL N N 117.906 0.070 1
956 . 86 VAL CA C 64.880 0.080 1
957 . 86 VAL HA H 3.753 0.002 1
958 . 86 VAL C C 176.590 0.080 1
959 . 86 VAL CB C 31.825 0.080 1
960 . 86 VAL HB H 2.221 0.001 1
961 . 86 VAL CG1 C 21.685 0.080 1
962 . 86 VAL HG1 H 1.021 0.001 1
963 . 86 VAL CG2 C 20.719 0.080 1
964 . 86 VAL HG2 H 0.619 0.001 1
965 . 87 TRP H H 7.298 0.020 1
966 . 87 TRP N N 119.468 0.070 1
967 . 87 TRP CA C 57.550 0.080 1
968 . 87 TRP HA H 4.267 0.001 1
969 . 87 TRP C C 175.620 0.080 1
970 . 87 TRP CB C 29.571 0.080 1
971 . 87 TRP HB2 H 3.634 0.003 1
972 . 87 TRP HB3 H 2.940 0.002 1
973 . 87 TRP CD1 C 125.643 0.080 1
974 . 87 TRP HD1 H 7.397 0.020 1
975 . 87 TRP NE1 N 127.906 0.070 1
976 . 87 TRP HE1 H 9.679 0.020 1
977 . 87 TRP CE3 C 119.970 0.000 1
978 . 87 TRP HE3 H 7.570 0.000 1
979 . 87 TRP CZ2 C 114.160 0.080 1
980 . 87 TRP HZ2 H 6.797 0.003 1
981 . 87 TRP CZ3 C 121.420 0.000 1
982 . 87 TRP HZ3 H 6.888 0.000 1
983 . 87 TRP CH2 C 124.455 0.000 1
984 . 87 TRP HH2 H 6.480 0.000 1
985 . 88 GLY H H 8.069 0.020 1
986 . 88 GLY N N 108.531 0.070 1
987 . 88 GLY CA C 46.150 0.080 1
988 . 88 GLY HA2 H 4.069 0.004 1
989 . 88 GLY HA3 H 3.870 0.002 1
990 . 88 GLY C C 174.160 0.080 1
991 . 89 LEU H H 7.262 0.004 1
992 . 89 LEU N N 118.843 0.070 1
993 . 89 LEU CA C 52.880 0.080 1
994 . 89 LEU HA H 5.160 0.001 1
995 . 89 LEU C C 175.870 0.080 1
996 . 89 LEU CB C 43.735 0.080 1
997 . 89 LEU HB2 H 1.636 0.020 1
998 . 89 LEU HB3 H 1.087 0.001 1
999 . 89 LEU CG C 26.674 0.080 1
1000 . 89 LEU CD1 C 22.329 0.080 1
1001 . 89 LEU HD1 H 0.517 0.020 1
1002 . 89 LEU HD2 H 0.517 0.020 1
1003 . 89 LEU HG H 0.718 0.003 1
1004 . 90 GLU H H 8.731 0.001 1
1005 . 90 GLU N N 121.187 0.070 1
1006 . 90 GLU CA C 54.360 0.080 1
1007 . 90 GLU HA H 4.522 0.001 1
1008 . 90 GLU C C 173.800 0.080 1
1009 . 90 GLU CB C 34.078 0.080 1
1010 . 90 GLU HB2 H 1.944 0.020 1
1011 . 90 GLU HB3 H 1.810 0.001 1
1012 . 90 GLU CG C 36.010 0.080 1
1013 . 90 GLU HG2 H 2.118 0.020 1
1014 . 90 GLU HG3 H 2.118 0.020 1
1015 . 91 LEU H H 8.623 0.002 1
1016 . 91 LEU N N 121.656 0.070 1
1017 . 91 LEU CA C 53.670 0.080 1
1018 . 91 LEU HA H 5.246 0.001 1
1019 . 91 LEU C C 176.900 0.080 1
1020 . 91 LEU CB C 43.574 0.080 1
1021 . 91 LEU HB2 H 1.637 0.001 1
1022 . 91 LEU HB3 H 1.269 0.020 1
1023 . 91 LEU CG C 27.157 0.080 1
1024 . 91 LEU CD1 C 24.582 0.080 1
1025 . 91 LEU HD1 H 0.524 0.001 1
1026 . 91 LEU CD2 C 24.904 0.080 1
1027 . 91 LEU HD2 H 0.404 0.020 1
1028 . 91 LEU HG H 1.437 0.020 1
1029 . 92 ILE H H 8.988 0.002 1
1030 . 92 ILE N N 123.687 0.070 1
1031 . 92 ILE CA C 59.320 0.080 1
1032 . 92 ILE HA H 4.539 0.002 1
1033 . 92 ILE C C 175.670 0.080 1
1034 . 92 ILE CB C 41.321 0.080 1
1035 . 92 ILE HB H 1.678 0.002 1
1036 . 92 ILE CG2 C 17.500 0.080 1
1037 . 92 ILE HG2 H 0.895 0.001 1
1038 . 92 ILE CG1 C 27.801 0.080 1
1039 . 92 ILE HG12 H 1.444 0.020 1
1040 . 92 ILE HG13 H 1.192 0.020 1
1041 . 92 ILE CD1 C 13.476 0.080 1
1042 . 92 ILE HD1 H 0.843 0.001 1
1043 . 93 LEU H H 9.162 0.002 1
1044 . 93 LEU N N 129.937 0.070 1
1045 . 93 LEU CA C 56.730 0.080 1
1046 . 93 LEU HA H 4.249 0.020 1
1047 . 93 LEU C C 177.730 0.080 1
1048 . 93 LEU CB C 41.965 0.080 1
1049 . 93 LEU HB2 H 1.790 0.002 1
1050 . 93 LEU HB3 H 1.685 0.001 1
1051 . 93 LEU CG C 27.479 0.080 1
1052 . 93 LEU CD1 C 25.387 0.080 1
1053 . 93 LEU HD1 H 0.836 0.020 1
1054 . 93 LEU CD2 C 23.616 0.080 1
1055 . 93 LEU HD2 H 0.814 0.020 1
1056 . 93 LEU HG H 1.663 0.001 1
1057 . 94 PHE H H 9.050 0.020 1
1058 . 94 PHE N N 130.093 0.070 1
1059 . 94 PHE CA C 59.400 0.080 1
1060 . 94 PHE HA H 3.966 0.005 1
1061 . 94 PHE CB C 40.999 0.080 1
1062 . 94 PHE HB2 H 2.886 0.001 1
1063 . 94 PHE HB3 H 2.799 0.001 1
1064 . 94 PHE CD1 C 131.318 0.080 1
1065 . 94 PHE HD1 H 7.021 0.020 1
1066 . 94 PHE CD2 C 131.318 0.080 1
1067 . 94 PHE HD2 H 7.021 0.020 1
1068 . 94 PHE CE1 C 131.450 0.080 1
1069 . 94 PHE HE1 H 7.346 0.020 1
1070 . 94 PHE CE2 C 131.450 0.080 1
1071 . 94 PHE HE2 H 7.346 0.020 1
1072 . 94 PHE CZ C 130.260 0.000 1
1073 . 94 PHE HZ H 7.150 0.000 1
1074 . 95 ASN H H 7.859 0.004 1
1075 . 95 ASN CA C 52.170 0.080 1
1076 . 95 ASN HA H 4.579 0.001 1
1077 . 95 ASN C C 175.110 0.080 1
1078 . 95 ASN CB C 37.297 0.080 1
1079 . 95 ASN HB2 H 2.865 0.001 1
1080 . 95 ASN HB3 H 2.763 0.001 1
1081 . 95 ASN ND2 N 111.656 0.070 1
1082 . 95 ASN HD21 H 7.497 0.020 1
1083 . 95 ASN HD22 H 6.803 0.002 1
1084 . 96 SER H H 7.740 0.020 1
1085 . 96 SER N N 116.187 0.070 1
1086 . 96 SER CA C 56.650 0.080 1
1087 . 96 SER HA H 4.713 0.020 1
1088 . 96 SER CB C 63.860 0.080 1
1089 . 96 SER HB2 H 4.439 0.001 1
1090 . 96 SER HB3 H 4.137 0.001 1
1091 . 97 PRO CA C 65.400 0.080 1
1092 . 97 PRO HA H 4.300 0.002 1
1093 . 97 PRO C C 179.190 0.080 1
1094 . 97 PRO CB C 31.986 0.080 1
1095 . 97 PRO HB2 H 2.383 0.020 1
1096 . 97 PRO HB3 H 1.949 0.003 1
1097 . 97 PRO CG C 27.801 0.080 1
1098 . 97 PRO HG2 H 2.240 0.001 1
1099 . 97 PRO HG3 H 2.085 0.002 1
1100 . 97 PRO CD C 51.200 0.080 1
1101 . 97 PRO HD2 H 3.966 0.020 1
1102 . 97 PRO HD3 H 3.966 0.020 1
1103 . 98 GLU H H 8.933 0.002 1
1104 . 98 GLU N N 116.031 0.070 1
1105 . 98 GLU CA C 59.760 0.080 1
1106 . 98 GLU HA H 3.951 0.004 1
1107 . 98 GLU C C 177.830 0.080 1
1108 . 98 GLU CB C 28.928 0.080 1
1109 . 98 GLU HB2 H 2.102 0.002 1
1110 . 98 GLU HB3 H 1.993 0.020 1
1111 . 98 GLU CG C 36.814 0.080 1
1112 . 98 GLU HG2 H 2.504 0.005 1
1113 . 98 GLU HG3 H 2.297 0.001 1
1114 . 99 TYR H H 7.530 0.020 1
1115 . 99 TYR N N 119.312 0.070 1
1116 . 99 TYR CA C 61.040 0.080 1
1117 . 99 TYR HA H 4.306 0.003 1
1118 . 99 TYR C C 179.240 0.080 1
1119 . 99 TYR CB C 39.390 0.080 1
1120 . 99 TYR HB2 H 3.067 0.001 1
1121 . 99 TYR HB3 H 2.956 0.002 1
1122 . 99 TYR CD1 C 133.298 0.080 1
1123 . 99 TYR HD1 H 7.146 0.020 1
1124 . 99 TYR CD2 C 133.298 0.080 1
1125 . 99 TYR HD2 H 7.146 0.020 1
1126 . 99 TYR CE1 C 118.384 0.080 1
1127 . 99 TYR HE1 H 6.812 0.020 1
1128 . 99 TYR HE2 H 6.812 0.020 1
1129 . 100 GLN H H 8.646 0.004 1
1130 . 100 GLN N N 119.468 0.070 1
1131 . 100 GLN CA C 58.830 0.080 1
1132 . 100 GLN HA H 3.744 0.003 1
1133 . 100 GLN CB C 28.445 0.080 1
1134 . 100 GLN HB2 H 2.079 0.003 1
1135 . 100 GLN HB3 H 1.991 0.005 1
1136 . 100 GLN CG C 33.917 0.080 1
1137 . 100 GLN HG2 H 2.489 0.001 1
1138 . 100 GLN HG3 H 2.400 0.001 1
1139 . 100 GLN NE2 N 112.590 0.000 1
1140 . 100 GLN HE21 H 7.323 0.000 1
1141 . 100 GLN HE22 H 6.342 0.000 1
1142 . 101 ARG H H 7.918 0.002 1
1143 . 101 ARG N N 117.125 0.070 1
1144 . 101 ARG CA C 58.120 0.080 1
1145 . 101 ARG HA H 4.067 0.001 1
1146 . 101 ARG CB C 29.893 0.080 1
1147 . 101 ARG HB2 H 1.920 0.020 1
1148 . 101 ARG HB3 H 1.824 0.001 1
1149 . 101 ARG CG C 27.157 0.080 1
1150 . 101 ARG HG2 H 1.691 0.003 1
1151 . 101 ARG HG3 H 1.569 0.004 1
1152 . 101 ARG CD C 43.574 0.080 1
1153 . 101 ARG HD2 H 3.168 0.020 1
1154 . 101 ARG HD3 H 3.168 0.020 1
1155 . 102 LEU H H 7.306 0.009 1
1156 . 102 LEU N N 117.906 0.070 1
1157 . 102 LEU CA C 55.790 0.080 1
1158 . 102 LEU HA H 3.989 0.003 1
1159 . 102 LEU C C 176.900 0.080 1
1160 . 102 LEU CB C 41.482 0.080 1
1161 . 102 LEU HB2 H 1.640 0.001 1
1162 . 102 LEU HB3 H 1.333 0.003 1
1163 . 102 LEU CG C 26.513 0.080 1
1164 . 102 LEU CD1 C 25.869 0.080 1
1165 . 102 LEU HD1 H 0.927 0.002 1
1166 . 102 LEU CD2 C 21.524 0.080 1
1167 . 102 LEU HD2 H 0.798 0.002 1
1168 . 102 LEU HG H 1.763 0.004 1
1169 . 103 ARG H H 7.485 0.001 1
1170 . 103 ARG N N 114.312 0.070 1
1171 . 103 ARG CA C 56.600 0.080 1
1172 . 103 ARG HA H 3.733 0.001 1
1173 . 103 ARG C C 175.330 0.080 1
1174 . 103 ARG CB C 27.318 0.080 1
1175 . 103 ARG HB2 H 1.844 0.020 1
1176 . 103 ARG HB3 H 1.844 0.020 1
1177 . 103 ARG CG C 27.157 0.080 1
1178 . 103 ARG HG2 H 1.557 0.020 1
1179 . 103 ARG HG3 H 1.518 0.020 1
1180 . 103 ARG CD C 43.413 0.080 1
1181 . 103 ARG HD2 H 3.172 0.020 1
1182 . 103 ARG HD3 H 3.430 0.020 1
1183 . 104 ILE H H 8.241 0.002 1
1184 . 104 ILE N N 121.500 0.070 1
1185 . 104 ILE CA C 60.700 0.080 1
1186 . 104 ILE HA H 3.902 0.004 1
1187 . 104 ILE C C 177.290 0.080 1
1188 . 104 ILE CB C 39.068 0.080 1
1189 . 104 ILE HB H 1.470 0.001 1
1190 . 104 ILE CG2 C 17.017 0.080 1
1191 . 104 ILE HG2 H 0.895 0.001 1
1192 . 104 ILE CG1 C 27.962 0.080 1
1193 . 104 ILE HG12 H 1.301 0.002 1
1194 . 104 ILE HG13 H 0.917 0.020 1
1195 . 104 ILE CD1 C 13.315 0.080 1
1196 . 104 ILE HD1 H 0.772 0.001 1
1197 . 105 ASP H H 8.974 0.020 1
1198 . 105 ASP N N 132.593 0.070 1
1199 . 105 ASP CA C 51.920 0.080 1
1200 . 105 ASP HA H 4.799 0.005 1
1201 . 105 ASP CB C 41.965 0.080 1
1202 . 105 ASP HB2 H 2.897 0.002 1
1203 . 105 ASP HB3 H 2.574 0.003 1
1204 . 106 PRO CA C 65.840 0.080 1
1205 . 106 PRO HA H 4.535 0.020 1
1206 . 106 PRO C C 176.770 0.080 1
1207 . 106 PRO CB C 32.308 0.080 1
1208 . 106 PRO HB2 H 2.247 0.001 1
1209 . 106 PRO HB3 H 1.598 0.020 1
1210 . 106 PRO CG C 27.318 0.080 1
1211 . 106 PRO HG2 H 2.240 0.020 1
1212 . 106 PRO HG3 H 1.927 0.002 1
1213 . 106 PRO CD C 51.200 0.080 1
1214 . 106 PRO HD2 H 4.151 0.002 1
1215 . 106 PRO HD3 H 4.049 0.002 1
1216 . 107 ILE H H 7.721 0.003 1
1217 . 107 ILE N N 109.624 0.070 1
1218 . 107 ILE CA C 63.520 0.080 1
1219 . 107 ILE HA H 4.068 0.004 1
1220 . 107 ILE CB C 38.585 0.080 1
1221 . 107 ILE HB H 2.061 0.002 1
1222 . 107 ILE CG2 C 18.466 0.080 1
1223 . 107 ILE HG2 H 1.021 0.001 1
1224 . 107 ILE CG1 C 26.674 0.080 1
1225 . 107 ILE HG12 H 1.369 0.002 1
1226 . 107 ILE HG13 H 1.285 0.002 1
1227 . 107 ILE CD1 C 14.603 0.080 1
1228 . 107 ILE HD1 H 0.947 0.001 1
1229 . 108 ASN H H 8.659 0.020 1
1230 . 108 ASN N N 117.125 0.070 1
1231 . 108 ASN CA C 53.800 0.080 1
1232 . 108 ASN HA H 4.984 0.004 1
1233 . 108 ASN C C 177.320 0.080 1
1234 . 108 ASN CB C 39.068 0.080 1
1235 . 108 ASN HB2 H 3.164 0.002 1
1236 . 108 ASN HB3 H 2.905 0.001 1
1237 . 108 ASN ND2 N 113.531 0.070 1
1238 . 108 ASN HD21 H 7.896 0.001 1
1239 . 108 ASN HD22 H 7.121 0.001 1
1240 . 109 GLU H H 7.673 0.005 1
1241 . 109 GLU N N 120.875 0.070 1
1242 . 109 GLU CA C 56.460 0.080 1
1243 . 109 GLU HA H 4.838 0.020 1
1244 . 109 GLU C C 173.580 0.080 1
1245 . 109 GLU CB C 29.410 0.080 1
1246 . 109 GLU HB2 H 2.078 0.020 1
1247 . 109 GLU HB3 H 2.078 0.020 1
1248 . 109 GLU CG C 36.010 0.080 1
1249 . 109 GLU HG2 H 2.459 0.002 1
1250 . 109 GLU HG3 H 2.284 0.020 1
1251 . 110 ARG H H 8.728 0.001 1
1252 . 110 ARG N N 113.374 0.070 1
1253 . 110 ARG CA C 57.220 0.080 1
1254 . 110 ARG HA H 4.457 0.001 1
1255 . 110 ARG C C 177.010 0.080 1
1256 . 110 ARG CB C 33.273 0.080 1
1257 . 110 ARG HB2 H 1.925 0.020 1
1258 . 110 ARG HB3 H 1.925 0.020 1
1259 . 110 ARG CG C 27.640 0.080 1
1260 . 110 ARG HG2 H 1.789 0.002 1
1261 . 110 ARG HG3 H 1.639 0.001 1
1262 . 110 ARG CD C 43.574 0.080 1
1263 . 110 ARG HD2 H 3.249 0.020 1
1264 . 110 ARG HD3 H 3.249 0.020 1
1265 . 110 ARG NE N 85.250 0.070 1
1266 . 110 ARG HE H 7.381 0.020 1
1267 . 111 SER H H 7.895 0.020 1
1268 . 111 SER N N 110.249 0.070 1
1269 . 111 SER CA C 59.070 0.080 1
1270 . 111 SER HA H 5.230 0.002 1
1271 . 111 SER C C 171.160 0.080 1
1272 . 111 SER CB C 65.790 0.080 1
1273 . 111 SER HB2 H 3.755 0.001 1
1274 . 111 SER HB3 H 3.670 0.001 1
1275 . 112 PHE H H 9.369 0.020 1
1276 . 112 PHE N N 119.468 0.070 1
1277 . 112 PHE CA C 56.010 0.080 1
1278 . 112 PHE HA H 5.629 0.005 1
1279 . 112 PHE C C 175.530 0.080 1
1280 . 112 PHE CB C 42.930 0.080 1
1281 . 112 PHE HB2 H 2.839 0.003 1
1282 . 112 PHE HB3 H 2.443 0.002 1
1283 . 112 PHE CD1 C 131.450 0.080 1
1284 . 112 PHE HD1 H 6.810 0.020 1
1285 . 112 PHE CD2 C 131.450 0.080 1
1286 . 112 PHE HD2 H 6.810 0.020 1
1287 . 112 PHE CE1 C 131.450 0.080 1
1288 . 112 PHE HE1 H 6.840 0.020 1
1289 . 112 PHE CE2 C 131.450 0.080 1
1290 . 112 PHE HE2 H 6.840 0.020 1
1291 . 112 PHE CZ C 129.075 0.000 1
1292 . 112 PHE HZ H 7.050 0.000 1
1293 . 113 ILE H H 9.458 0.003 1
1294 . 113 ILE N N 119.156 0.070 1
1295 . 113 ILE CA C 60.160 0.080 1
1296 . 113 ILE HA H 5.133 0.004 1
1297 . 113 ILE C C 174.670 0.080 1
1298 . 113 ILE CB C 42.126 0.080 1
1299 . 113 ILE HB H 1.686 0.001 1
1300 . 113 ILE CG2 C 18.788 0.080 1
1301 . 113 ILE HG2 H 1.057 0.001 1
1302 . 113 ILE CG1 C 27.157 0.080 1
1303 . 113 ILE HG12 H 1.613 0.002 1
1304 . 113 ILE HG13 H 1.043 0.003 1
1305 . 113 ILE CD1 C 14.281 0.080 1
1306 . 113 ILE HD1 H 0.606 0.002 1
1307 . 114 CYS H H 9.030 0.009 1
1308 . 114 CYS N N 123.375 0.070 1
1309 . 114 CYS CA C 55.900 0.080 1
1310 . 114 CYS HA H 5.304 0.001 1
1311 . 114 CYS C C 174.000 0.080 1
1312 . 114 CYS CB C 30.376 0.080 1
1313 . 114 CYS HB2 H 2.058 0.001 1
1314 . 114 CYS HB3 H 1.661 0.002 1
1315 . 115 ASN H H 9.137 0.006 1
1316 . 115 ASN N N 120.562 0.070 1
1317 . 115 ASN CA C 51.720 0.080 1
1318 . 115 ASN HA H 5.499 0.003 1
1319 . 115 ASN C C 172.640 0.080 1
1320 . 115 ASN CB C 44.057 0.080 1
1321 . 115 ASN HB2 H 1.655 0.002 1
1322 . 115 ASN HB3 H 1.072 0.003 1
1323 . 115 ASN ND2 N 109.310 0.070 1
1324 . 115 ASN HD21 H 6.450 0.020 1
1325 . 115 ASN HD22 H 4.660 0.020 1
1326 . 116 TYR H H 8.293 0.001 1
1327 . 116 TYR N N 128.218 0.070 1
1328 . 116 TYR CA C 57.560 0.080 1
1329 . 116 TYR HA H 4.216 0.002 1
1330 . 116 TYR C C 176.810 0.080 1
1331 . 116 TYR CB C 38.424 0.080 1
1332 . 116 TYR HB2 H 1.927 0.020 1
1333 . 116 TYR HB3 H 1.110 0.001 1
1334 . 116 TYR CD1 C 132.638 0.080 1
1335 . 116 TYR HD1 H 6.768 0.020 1
1336 . 116 TYR CD2 C 132.638 0.080 1
1337 . 116 TYR HD2 H 6.768 0.020 1
1338 . 116 TYR CE1 C 118.120 0.080 1
1339 . 116 TYR HE1 H 6.773 0.020 1
1340 . 116 TYR CE2 C 118.120 0.080 1
1341 . 116 TYR HE2 H 6.773 0.020 1
1342 . 117 LYS H H 8.881 0.002 1
1343 . 117 LYS N N 126.656 0.070 1
1344 . 117 LYS CA C 58.580 0.080 1
1345 . 117 LYS HA H 3.437 0.003 1
1346 . 117 LYS C C 175.700 0.080 1
1347 . 117 LYS CB C 29.410 0.080 1
1348 . 117 LYS HB2 H 1.687 0.001 1
1349 . 117 LYS HB3 H 1.555 0.020 1
1350 . 117 LYS CG C 24.743 0.080 1
1351 . 117 LYS HG2 H 0.697 0.004 1
1352 . 117 LYS HG3 H 0.361 0.004 1
1353 . 117 LYS CD C 28.928 0.080 1
1354 . 117 LYS HD2 H 1.423 0.001 1
1355 . 117 LYS HD3 H 1.373 0.001 1
1356 . 117 LYS CE C 41.965 0.080 1
1357 . 117 LYS HE2 H 2.794 0.005 1
1358 . 117 LYS HE3 H 2.735 0.001 1
1359 . 118 GLU H H 9.220 0.020 1
1360 . 118 GLU N N 123.843 0.070 1
1361 . 118 GLU CA C 57.830 0.080 1
1362 . 118 GLU HA H 4.407 0.002 1
1363 . 118 GLU C C 175.300 0.080 1
1364 . 118 GLU CB C 28.767 0.080 1
1365 . 118 GLU HB2 H 2.163 0.020 1
1366 . 118 GLU HB3 H 2.163 0.020 1
1367 . 118 GLU CG C 36.170 0.080 1
1368 . 118 GLU HG2 H 2.326 0.020 1
1369 . 118 GLU HG3 H 2.326 0.020 1
1370 . 119 HIS H H 8.538 0.020 1
1371 . 119 HIS N N 121.656 0.070 1
1372 . 119 HIS CA C 56.650 0.080 1
1373 . 119 HIS HA H 5.189 0.020 1
1374 . 119 HIS C C 174.840 0.080 1
1375 . 119 HIS CB C 33.112 0.080 1
1376 . 119 HIS HB2 H 3.494 0.001 1
1377 . 119 HIS HB3 H 3.187 0.006 1
1378 . 119 HIS CD2 C 117.196 0.080 1
1379 . 119 HIS HD2 H 7.519 0.020 1
1380 . 119 HIS HE1 H 7.714 0.001 1
1381 . 120 TRP H H 7.613 0.020 1
1382 . 120 TRP N N 129.937 0.070 1
1383 . 120 TRP CA C 55.870 0.080 1
1384 . 120 TRP HA H 5.710 0.007 1
1385 . 120 TRP C C 176.130 0.080 1
1386 . 120 TRP CB C 32.308 0.080 1
1387 . 120 TRP HB2 H 3.619 0.002 1
1388 . 120 TRP HB3 H 2.801 0.003 1
1389 . 120 TRP CD1 C 126.831 0.080 1
1390 . 120 TRP HD1 H 7.383 0.020 1
1391 . 120 TRP NE1 N 131.031 0.070 1
1392 . 120 TRP HE1 H 10.310 0.004 1
1393 . 120 TRP CE3 C 120.100 0.080 1
1394 . 120 TRP HE3 H 7.363 0.001 1
1395 . 120 TRP CZ2 C 115.612 0.080 1
1396 . 120 TRP HZ2 H 7.199 0.020 1
1397 . 120 TRP CZ3 C 120.760 0.080 1
1398 . 120 TRP HZ3 H 6.577 0.004 1
1399 . 120 TRP CH2 C 123.927 0.080 1
1400 . 120 TRP HH2 H 6.707 0.001 1
1401 . 121 PHE H H 9.290 0.020 1
1402 . 121 PHE N N 116.500 0.070 1
1403 . 121 PHE CA C 57.260 0.080 1
1404 . 121 PHE HA H 4.974 0.002 1
1405 . 121 PHE C C 171.760 0.080 1
1406 . 121 PHE CB C 43.260 0.080 1
1407 . 121 PHE HB2 H 3.326 0.020 1
1408 . 121 PHE HB3 H 3.326 0.020 1
1409 . 121 PHE CD1 C 132.506 0.080 1
1410 . 121 PHE HD1 H 6.967 0.020 1
1411 . 121 PHE CD2 C 132.506 0.080 1
1412 . 121 PHE HD2 H 6.967 0.020 1
1413 . 122 THR H H 8.820 0.001 1
1414 . 122 THR N N 119.468 0.070 1
1415 . 122 THR CA C 62.010 0.080 1
1416 . 122 THR HA H 4.483 0.002 1
1417 . 122 THR C C 172.470 0.080 1
1418 . 122 THR CB C 71.340 0.080 1
1419 . 122 THR HB H 4.119 0.001 1
1420 . 122 THR CG2 C 23.294 0.080 1
1421 . 122 THR HG2 H 1.266 0.001 1
1422 . 123 VAL H H 8.814 0.007 1
1423 . 123 VAL N N 128.531 0.070 1
1424 . 123 VAL CA C 61.280 0.080 1
1425 . 123 VAL HA H 5.141 0.006 1
1426 . 123 VAL CB C 34.722 0.080 1
1427 . 123 VAL HB H 2.153 0.002 1
1428 . 123 VAL CG1 C 21.363 0.080 1
1429 . 123 VAL HG1 H 1.055 0.002 1
1430 . 123 VAL CG2 C 22.329 0.080 1
1431 . 123 VAL HG2 H 1.048 0.003 1
1432 . 124 ARG H H 9.435 0.020 1
1433 . 124 ARG N N 124.781 0.070 1
1434 . 124 ARG CA C 55.110 0.080 1
1435 . 124 ARG HA H 5.416 0.003 1
1436 . 124 ARG C C 172.510 0.080 1
1437 . 124 ARG CB C 34.078 0.080 1
1438 . 124 ARG HB2 H 1.940 0.020 1
1439 . 124 ARG HB3 H 1.805 0.004 1
1440 . 124 ARG HG2 H 1.612 0.020 1
1441 . 124 ARG HG3 H 1.612 0.020 1
1442 . 124 ARG HD2 H 3.234 0.020 1
1443 . 124 ARG HD3 H 3.234 0.020 1
1444 . 124 ARG NE N 84.156 0.070 1
1445 . 124 ARG HE H 7.550 0.001 1
1446 . 125 LYS H H 8.076 0.020 1
1447 . 125 LYS N N 128.062 0.070 1
1448 . 125 LYS CA C 55.210 0.080 1
1449 . 125 LYS HA H 4.335 0.002 1
1450 . 125 LYS C C 176.910 0.080 1
1451 . 125 LYS CB C 31.986 0.080 1
1452 . 125 LYS HB2 H 1.125 0.001 1
1453 . 125 LYS HB3 H -0.584 0.006 1
1454 . 125 LYS CG C 24.420 0.080 1
1455 . 125 LYS HG2 H 0.610 0.020 1
1456 . 125 LYS HG3 H -0.184 0.020 1
1457 . 125 LYS CD C 29.732 0.080 1
1458 . 125 LYS HD2 H 1.410 0.001 1
1459 . 125 LYS HD3 H 1.342 0.001 1
1460 . 125 LYS CE C 41.965 0.080 1
1461 . 125 LYS HE2 H 2.821 0.001 1
1462 . 125 LYS HE3 H 2.746 0.005 1
1463 . 126 LEU H H 9.386 0.002 1
1464 . 126 LEU N N 132.750 0.070 1
1465 . 126 LEU CA C 53.940 0.080 1
1466 . 126 LEU HA H 4.650 0.006 1
1467 . 126 LEU C C 176.010 0.080 1
1468 . 126 LEU CB C 43.413 0.080 1
1469 . 126 LEU HB2 H 1.893 0.004 1
1470 . 126 LEU HB3 H 1.075 0.003 1
1471 . 126 LEU CG C 26.835 0.080 1
1472 . 126 LEU CD1 C 24.904 0.080 1
1473 . 126 LEU HD1 H 0.811 0.002 1
1474 . 126 LEU CD2 C 24.904 0.080 1
1475 . 126 LEU HD2 H 0.811 0.020 1
1476 . 126 LEU HG H 1.403 0.004 1
1477 . 127 GLY H H 9.536 0.020 1
1478 . 127 GLY N N 114.312 0.070 1
1479 . 127 GLY CA C 47.276 0.080 1
1480 . 127 GLY HA2 H 3.926 0.003 1
1481 . 127 GLY HA3 H 3.606 0.001 1
1482 . 127 GLY C C 174.550 0.080 1
1483 . 128 LYS H H 8.780 0.001 1
1484 . 128 LYS N N 124.625 0.070 1
1485 . 128 LYS CA C 55.950 0.080 1
1486 . 128 LYS HA H 4.333 0.001 1
1487 . 128 LYS C C 175.910 0.080 1
1488 . 128 LYS CB C 33.112 0.080 1
1489 . 128 LYS HB2 H 2.102 0.001 1
1490 . 128 LYS HB3 H 1.779 0.002 1
1491 . 128 LYS CG C 24.904 0.080 1
1492 . 128 LYS HG2 H 1.463 0.020 1
1493 . 128 LYS HG3 H 1.463 0.020 1
1494 . 128 LYS CD C 28.928 0.080 1
1495 . 128 LYS HD2 H 1.725 0.020 1
1496 . 128 LYS HD3 H 1.725 0.020 1
1497 . 128 LYS CE C 41.965 0.080 1
1498 . 128 LYS HE2 H 3.041 0.020 1
1499 . 128 LYS HE3 H 3.041 0.020 1
1500 . 128 LYS NZ N 43.687 0.070 1
1501 . 128 LYS HZ H 7.985 0.020 1
1502 . 129 GLN H H 7.853 0.004 1
1503 . 129 GLN N N 119.781 0.070 1
1504 . 129 GLN CA C 54.840 0.080 1
1505 . 129 GLN HA H 4.681 0.003 1
1506 . 129 GLN C C 173.030 0.080 1
1507 . 129 GLN CB C 33.434 0.080 1
1508 . 129 GLN HB2 H 2.084 0.001 1
1509 . 129 GLN HB3 H 1.796 0.001 1
1510 . 129 GLN CG C 35.205 0.080 1
1511 . 129 GLN HG2 H 2.182 0.020 1
1512 . 129 GLN HG3 H 2.060 0.020 1
1513 . 129 GLN NE2 N 112.749 0.070 1
1514 . 129 GLN HE21 H 7.659 0.001 1
1515 . 129 GLN HE22 H 6.798 0.020 1
1516 . 130 TRP H H 8.853 0.020 1
1517 . 130 TRP N N 123.062 0.070 1
1518 . 130 TRP CA C 58.300 0.080 1
1519 . 130 TRP HA H 4.436 0.003 1
1520 . 130 TRP C C 175.300 0.080 1
1521 . 130 TRP CB C 30.537 0.080 1
1522 . 130 TRP HB2 H 3.470 0.020 1
1523 . 130 TRP HB3 H 2.667 0.001 1
1524 . 130 TRP CD1 C 126.171 0.080 1
1525 . 130 TRP HD1 H 7.568 0.020 1
1526 . 130 TRP NE1 N 126.968 0.070 1
1527 . 130 TRP HE1 H 9.557 0.001 1
1528 . 130 TRP CE3 C 118.384 0.080 1
1529 . 130 TRP HE3 H 7.123 0.001 1
1530 . 130 TRP CZ2 C 117.592 0.080 1
1531 . 130 TRP HZ2 H 7.490 0.001 1
1532 . 130 TRP CZ3 C 121.551 0.080 1
1533 . 130 TRP HZ3 H 6.951 0.020 1
1534 . 130 TRP CH2 C 124.323 0.080 1
1535 . 130 TRP HH2 H 6.541 0.001 1
1536 . 131 PHE H H 8.999 0.003 1
1537 . 131 PHE N N 116.812 0.070 1
1538 . 131 PHE CA C 57.150 0.080 1
1539 . 131 PHE HA H 5.205 0.001 1
1540 . 131 PHE C C 174.870 0.080 1
1541 . 131 PHE CB C 43.091 0.080 1
1542 . 131 PHE HB2 H 2.795 0.003 1
1543 . 131 PHE HB3 H 2.593 0.020 1
1544 . 131 PHE CD1 C 131.714 0.080 1
1545 . 131 PHE HD1 H 6.932 0.020 1
1546 . 131 PHE CD2 C 131.714 0.080 1
1547 . 131 PHE HD2 H 6.932 0.020 1
1548 . 131 PHE CE1 C 131.582 0.080 1
1549 . 131 PHE HE1 H 7.244 0.020 1
1550 . 131 PHE HE2 H 7.244 0.020 1
1551 . 131 PHE CZ C 130.000 0.000 1
1552 . 131 PHE HZ H 7.125 0.000 1
1553 . 132 ASN H H 9.752 0.020 1
1554 . 132 ASN N N 120.562 0.070 1
1555 . 132 ASN CA C 53.040 0.080 1
1556 . 132 ASN HA H 4.897 0.001 1
1557 . 132 ASN C C 175.550 0.080 1
1558 . 132 ASN CB C 38.585 0.080 1
1559 . 132 ASN HB2 H 3.245 0.004 1
1560 . 132 ASN HB3 H 2.617 0.003 1
1561 . 132 ASN ND2 N 109.312 0.070 1
1562 . 132 ASN HD21 H 7.820 0.002 1
1563 . 132 ASN HD22 H 7.458 0.020 1
1564 . 133 LEU H H 8.680 0.005 1
1565 . 133 LEU N N 122.593 0.070 1
1566 . 133 LEU CA C 52.510 0.080 1
1567 . 133 LEU HA H 4.758 0.020 1
1568 . 133 LEU C C 178.880 0.080 1
1569 . 133 LEU CB C 41.482 0.080 1
1570 . 133 LEU HB2 H 1.979 0.020 1
1571 . 133 LEU HB3 H 1.979 0.020 1
1572 . 133 LEU CG C 26.835 0.080 1
1573 . 133 LEU CD1 C 28.445 0.080 1
1574 . 133 LEU HD1 H 1.012 0.001 1
1575 . 133 LEU CD2 C 23.616 0.080 1
1576 . 133 LEU HD2 H 0.796 0.001 1
1577 . 133 LEU HG H 1.772 0.002 1
1578 . 134 ASN H H 8.841 0.020 1
1579 . 134 ASN N N 121.968 0.070 1
1580 . 134 ASN CA C 55.580 0.080 1
1581 . 134 ASN HA H 4.760 0.020 1
1582 . 134 ASN C C 178.290 0.080 1
1583 . 134 ASN CB C 37.136 0.080 1
1584 . 134 ASN HB2 H 3.230 0.003 1
1585 . 134 ASN HB3 H 2.706 0.002 1
1586 . 134 ASN ND2 N 112.906 0.070 1
1587 . 134 ASN HD21 H 7.732 0.004 1
1588 . 134 ASN HD22 H 6.889 0.001 1
1589 . 135 SER H H 8.416 0.020 1
1590 . 135 SER N N 124.625 0.070 1
1591 . 135 SER CA C 60.250 0.080 1
1592 . 135 SER HA H 4.769 0.020 1
1593 . 135 SER C C 174.750 0.080 1
1594 . 135 SER CB C 63.100 0.080 1
1595 . 135 SER HB2 H 4.421 0.020 1
1596 . 135 SER HB3 H 4.421 0.020 1
1597 . 136 LEU H H 7.703 0.002 1
1598 . 136 LEU N N 121.343 0.070 1
1599 . 136 LEU CA C 55.260 0.080 1
1600 . 136 LEU HA H 4.453 0.001 1
1601 . 136 LEU C C 177.510 0.080 1
1602 . 136 LEU CB C 42.448 0.080 1
1603 . 136 LEU HB2 H 1.598 0.002 1
1604 . 136 LEU HB3 H 1.369 0.002 1
1605 . 136 LEU CG C 27.157 0.080 1
1606 . 136 LEU CD1 C 22.972 0.080 1
1607 . 136 LEU HD1 H 0.806 0.001 1
1608 . 136 LEU CD2 C 24.904 0.080 1
1609 . 136 LEU HD2 H 0.581 0.004 1
1610 . 136 LEU HG H 1.597 0.002 1
1611 . 137 LEU H H 7.135 0.005 1
1612 . 137 LEU N N 118.218 0.070 1
1613 . 137 LEU CA C 53.580 0.080 1
1614 . 137 LEU HA H 4.552 0.003 1
1615 . 137 LEU C C 177.680 0.080 1
1616 . 137 LEU CB C 43.735 0.080 1
1617 . 137 LEU HB2 H 1.846 0.020 1
1618 . 137 LEU HB3 H 1.846 0.020 1
1619 . 137 LEU CG C 27.479 0.080 1
1620 . 137 LEU CD1 C 25.060 0.080 1
1621 . 137 LEU HD1 H 0.902 0.020 1
1622 . 137 LEU CD2 C 21.524 0.080 1
1623 . 137 LEU HD2 H 0.852 0.020 1
1624 . 137 LEU HG H 1.448 0.008 1
1625 . 138 THR H H 8.563 0.020 1
1626 . 138 THR N N 110.406 0.070 1
1627 . 138 THR CA C 63.710 0.080 1
1628 . 138 THR HA H 4.047 0.001 1
1629 . 138 THR C C 174.820 0.080 1
1630 . 138 THR CB C 69.000 0.080 1
1631 . 138 THR HB H 4.325 0.002 1
1632 . 138 THR CG2 C 22.007 0.080 1
1633 . 138 THR HG2 H 1.289 0.004 1
1634 . 139 GLY H H 7.322 0.020 1
1635 . 139 GLY N N 107.749 0.070 1
1636 . 139 GLY CA C 44.379 0.080 1
1637 . 139 GLY HA2 H 4.008 0.001 1
1638 . 139 GLY HA3 H 3.776 0.020 1
1639 . 140 PRO CA C 62.560 0.080 1
1640 . 140 PRO HA H 4.132 0.020 1
1641 . 140 PRO C C 176.100 0.080 1
1642 . 140 PRO CB C 32.951 0.080 1
1643 . 140 PRO HB2 H 1.729 0.002 1
1644 . 140 PRO HB3 H 1.652 0.001 1
1645 . 140 PRO CG C 27.640 0.080 1
1646 . 140 PRO HG2 H 1.833 0.001 1
1647 . 140 PRO HG3 H 1.351 0.020 1
1648 . 140 PRO CD C 49.000 0.080 1
1649 . 140 PRO HD2 H 3.292 0.001 1
1650 . 140 PRO HD3 H 3.245 0.020 1
1651 . 141 GLU H H 8.125 0.002 1
1652 . 141 GLU N N 121.656 0.070 1
1653 . 141 GLU CA C 54.610 0.080 1
1654 . 141 GLU HA H 4.848 0.002 1
1655 . 141 GLU C C 175.000 0.080 1
1656 . 141 GLU CB C 33.273 0.080 1
1657 . 141 GLU HB2 H 2.030 0.001 1
1658 . 141 GLU HB3 H 1.908 0.020 1
1659 . 141 GLU CG C 36.492 0.080 1
1660 . 141 GLU HG2 H 2.386 0.001 1
1661 . 141 GLU HG3 H 2.150 0.001 1
1662 . 142 LEU H H 8.659 0.001 1
1663 . 142 LEU N N 129.000 0.070 1
1664 . 142 LEU CA C 55.940 0.080 1
1665 . 142 LEU HA H 3.980 0.002 1
1666 . 142 LEU C C 176.560 0.080 1
1667 . 142 LEU CB C 42.770 0.080 1
1668 . 142 LEU HB2 H 1.506 0.002 1
1669 . 142 LEU HB3 H 1.374 0.001 1
1670 . 142 LEU CG C 27.479 0.080 1
1671 . 142 LEU CD1 C 25.869 0.080 1
1672 . 142 LEU HD1 H 0.700 0.020 1
1673 . 142 LEU CD2 C 24.260 0.080 1
1674 . 142 LEU HD2 H 0.641 0.001 1
1675 . 142 LEU HG H 1.204 0.001 1
1676 . 143 ILE H H 8.586 0.001 1
1677 . 143 ILE N N 128.375 0.070 1
1678 . 143 ILE CA C 59.410 0.080 1
1679 . 143 ILE HA H 4.145 0.005 1
1680 . 143 ILE C C 174.680 0.080 1
1681 . 143 ILE CB C 39.872 0.080 1
1682 . 143 ILE HB H 1.441 0.001 1
1683 . 143 ILE CG2 C 16.856 0.080 1
1684 . 143 ILE HG2 H 0.673 0.001 1
1685 . 143 ILE CG1 C 26.352 0.080 1
1686 . 143 ILE HG12 H 1.280 0.020 1
1687 . 143 ILE HG13 H 0.727 0.001 1
1688 . 143 ILE CD1 C 13.959 0.080 1
1689 . 143 ILE HD1 H 0.226 0.001 1
1690 . 144 SER H H 8.813 0.006 1
1691 . 144 SER N N 122.125 0.070 1
1692 . 144 SER CA C 58.650 0.080 1
1693 . 144 SER HA H 4.361 0.001 1
1694 . 144 SER C C 175.860 0.080 1
1695 . 144 SER CB C 63.520 0.080 1
1696 . 144 SER HB2 H 4.083 0.020 1
1697 . 144 SER HB3 H 3.883 0.020 1
1698 . 145 ASP H H 9.160 0.003 1
1699 . 145 ASP N N 126.343 0.070 1
1700 . 145 ASP CA C 58.280 0.080 1
1701 . 145 ASP HA H 4.360 0.003 1
1702 . 145 ASP C C 178.440 0.080 1
1703 . 145 ASP CB C 40.194 0.080 1
1704 . 145 ASP HB2 H 2.820 0.020 1
1705 . 145 ASP HB3 H 2.820 0.020 1
1706 . 146 THR H H 7.823 0.003 1
1707 . 146 THR N N 107.124 0.070 1
1708 . 146 THR CA C 63.160 0.080 1
1709 . 146 THR HA H 4.153 0.003 1
1710 . 146 THR C C 174.800 0.080 1
1711 . 146 THR CB C 68.970 0.080 1
1712 . 146 THR HB H 4.325 0.002 1
1713 . 146 THR CG2 C 22.168 0.080 1
1714 . 146 THR HG2 H 1.273 0.002 1
1715 . 147 TYR H H 7.899 0.020 1
1716 . 147 TYR N N 122.125 0.070 1
1717 . 147 TYR CA C 56.830 0.080 1
1718 . 147 TYR HA H 4.815 0.020 1
1719 . 147 TYR C C 175.310 0.080 1
1720 . 147 TYR CB C 40.999 0.080 1
1721 . 147 TYR HB2 H 3.048 0.002 1
1722 . 147 TYR HB3 H 2.941 0.003 1
1723 . 147 TYR CD1 C 133.298 0.080 1
1724 . 147 TYR HD1 H 7.108 0.020 1
1725 . 147 TYR CD2 C 133.298 0.080 1
1726 . 147 TYR HD2 H 7.108 0.020 1
1727 . 147 TYR CE1 C 117.724 0.080 1
1728 . 147 TYR HE1 H 6.758 0.020 1
1729 . 147 TYR CE2 C 117.724 0.080 1
1730 . 147 TYR HE2 H 6.758 0.020 1
1731 . 148 LEU H H 7.031 0.003 1
1732 . 148 LEU N N 120.406 0.070 1
1733 . 148 LEU CA C 59.270 0.080 1
1734 . 148 LEU HA H 3.506 0.001 1
1735 . 148 LEU C C 176.620 0.080 1
1736 . 148 LEU CB C 41.160 0.080 1
1737 . 148 LEU HB2 H 1.414 0.001 1
1738 . 148 LEU HB3 H 0.863 0.001 1
1739 . 148 LEU CG C 26.352 0.080 1
1740 . 148 LEU CD1 C 21.685 0.080 1
1741 . 148 LEU HD1 H 0.045 0.002 1
1742 . 148 LEU CD2 C 23.938 0.080 1
1743 . 148 LEU HD2 H -0.653 0.001 1
1744 . 148 LEU HG H 0.670 0.001 1
1745 . 149 ALA H H 8.867 0.001 1
1746 . 149 ALA N N 117.593 0.070 1
1747 . 149 ALA CA C 55.650 0.080 1
1748 . 149 ALA HA H 3.669 0.002 1
1749 . 149 ALA C C 180.330 0.080 1
1750 . 149 ALA CB C 17.500 0.080 1
1751 . 149 ALA HB H 1.356 0.020 1
1752 . 150 LEU H H 7.335 0.002 1
1753 . 150 LEU N N 120.406 0.070 1
1754 . 150 LEU CA C 57.380 0.080 1
1755 . 150 LEU HA H 4.008 0.001 1
1756 . 150 LEU C C 178.490 0.080 1
1757 . 150 LEU CB C 41.321 0.080 1
1758 . 150 LEU HB2 H 1.579 0.002 1
1759 . 150 LEU HB3 H 1.510 0.001 1
1760 . 150 LEU CG C 27.157 0.080 1
1761 . 150 LEU CD1 C 24.582 0.080 1
1762 . 150 LEU HD1 H 1.002 0.001 1
1763 . 150 LEU CD2 C 23.938 0.080 1
1764 . 150 LEU HD2 H 0.917 0.020 1
1765 . 150 LEU HG H 1.645 0.001 1
1766 . 151 PHE H H 8.341 0.004 1
1767 . 151 PHE N N 122.750 0.070 1
1768 . 151 PHE CA C 60.170 0.080 1
1769 . 151 PHE HA H 3.956 0.002 1
1770 . 151 PHE C C 177.460 0.080 1
1771 . 151 PHE CB C 38.424 0.080 1
1772 . 151 PHE HB2 H 2.910 0.002 1
1773 . 151 PHE HB3 H 2.402 0.001 1
1774 . 151 PHE CD1 C 131.450 0.080 1
1775 . 151 PHE HD1 H 6.980 0.020 1
1776 . 151 PHE CD2 C 131.450 0.080 1
1777 . 151 PHE HD2 H 6.980 0.020 1
1778 . 151 PHE CE1 C 131.186 0.080 1
1779 . 151 PHE HE1 H 7.188 0.020 1
1780 . 151 PHE CE2 C 131.186 0.080 1
1781 . 151 PHE HE2 H 7.188 0.020 1
1782 . 151 PHE CZ C 129.470 0.000 1
1783 . 151 PHE HZ H 7.242 0.000 1
1784 . 152 LEU H H 7.929 0.001 1
1785 . 152 LEU N N 116.812 0.070 1
1786 . 152 LEU CA C 57.450 0.080 1
1787 . 152 LEU HA H 3.387 0.002 1
1788 . 152 LEU C C 178.870 0.080 1
1789 . 152 LEU CB C 40.838 0.080 1
1790 . 152 LEU HB2 H 1.477 0.001 1
1791 . 152 LEU HB3 H 0.590 0.001 1
1792 . 152 LEU CG C 25.709 0.080 1
1793 . 152 LEU CD1 C 20.075 0.080 1
1794 . 152 LEU HD1 H -0.164 0.001 1
1795 . 152 LEU CD2 C 24.743 0.080 1
1796 . 152 LEU HD2 H -0.550 0.002 1
1797 . 152 LEU HG H 1.385 0.020 1
1798 . 153 ALA H H 7.665 0.004 1
1799 . 153 ALA N N 120.718 0.070 1
1800 . 153 ALA CA C 55.100 0.080 1
1801 . 153 ALA HA H 4.093 0.002 1
1802 . 153 ALA C C 180.910 0.080 1
1803 . 153 ALA CB C 18.144 0.080 1
1804 . 153 ALA HB H 1.476 0.003 1
1805 . 154 GLN H H 8.353 0.003 1
1806 . 154 GLN N N 120.562 0.070 1
1807 . 154 GLN CA C 58.810 0.080 1
1808 . 154 GLN HA H 3.911 0.003 1
1809 . 154 GLN C C 178.770 0.080 1
1810 . 154 GLN CB C 27.640 0.080 1
1811 . 154 GLN HB2 H 2.176 0.002 1
1812 . 154 GLN HB3 H 2.033 0.003 1
1813 . 154 GLN CG C 33.917 0.080 1
1814 . 154 GLN HG2 H 2.445 0.001 1
1815 . 154 GLN HG3 H 2.298 0.002 1
1816 . 154 GLN NE2 N 111.343 0.070 1
1817 . 154 GLN HE21 H 7.616 0.001 1
1818 . 154 GLN HE22 H 6.833 0.020 1
1819 . 155 LEU H H 7.665 0.003 1
1820 . 155 LEU N N 119.468 0.070 1
1821 . 155 LEU CA C 57.380 0.080 1
1822 . 155 LEU HA H 3.771 0.001 1
1823 . 155 LEU C C 180.310 0.080 1
1824 . 155 LEU CB C 40.999 0.080 1
1825 . 155 LEU HB2 H 1.569 0.001 1
1826 . 155 LEU HB3 H 0.668 0.020 1
1827 . 155 LEU CG C 26.835 0.080 1
1828 . 155 LEU CD1 C 25.709 0.080 1
1829 . 155 LEU HD1 H 0.976 0.001 1
1830 . 155 LEU CD2 C 21.685 0.080 1
1831 . 155 LEU HD2 H 0.085 0.020 1
1832 . 155 LEU HG H 0.104 0.001 1
1833 . 156 GLN H H 7.905 0.001 1
1834 . 156 GLN N N 119.312 0.070 1
1835 . 156 GLN CA C 59.360 0.080 1
1836 . 156 GLN HA H 4.416 0.001 1
1837 . 156 GLN CB C 29.410 0.080 1
1838 . 156 GLN HB2 H 2.175 0.020 1
1839 . 156 GLN HB3 H 2.175 0.020 1
1840 . 156 GLN CG C 35.205 0.080 1
1841 . 156 GLN HG2 H 2.493 0.020 1
1842 . 156 GLN HG3 H 2.264 0.003 1
1843 . 156 GLN NE2 N 109.624 0.070 1
1844 . 156 GLN HE21 H 7.149 0.001 1
1845 . 156 GLN HE22 H 6.841 0.020 1
1846 . 157 GLN H H 8.055 0.001 1
1847 . 157 GLN N N 121.343 0.070 1
1848 . 157 GLN CA C 58.610 0.080 1
1849 . 157 GLN HA H 4.047 0.002 1
1850 . 157 GLN C C 177.730 0.080 1
1851 . 157 GLN CB C 28.123 0.080 1
1852 . 157 GLN HB2 H 2.246 0.020 1
1853 . 157 GLN HB3 H 2.246 0.020 1
1854 . 157 GLN CG C 34.078 0.080 1
1855 . 157 GLN HG2 H 2.470 0.020 1
1856 . 157 GLN HG3 H 2.470 0.020 1
1857 . 157 GLN NE2 N 111.656 0.070 1
1858 . 157 GLN HE21 H 7.436 0.020 1
1859 . 157 GLN HE22 H 6.794 0.001 1
1860 . 158 GLU H H 7.655 0.001 1
1861 . 158 GLU N N 117.906 0.070 1
1862 . 158 GLU CA C 56.880 0.080 1
1863 . 158 GLU HA H 4.197 0.003 1
1864 . 158 GLU C C 175.860 0.080 1
1865 . 158 GLU CB C 29.893 0.080 1
1866 . 158 GLU HB2 H 2.264 0.001 1
1867 . 158 GLU HB3 H 2.167 0.002 1
1868 . 158 GLU CG C 36.331 0.080 1
1869 . 158 GLU HG2 H 2.455 0.002 1
1870 . 158 GLU HG3 H 2.282 0.020 1
1871 . 159 GLY H H 7.516 0.020 1
1872 . 159 GLY N N 104.156 0.070 1
1873 . 159 GLY CA C 44.540 0.080 1
1874 . 159 GLY HA2 H 4.184 0.002 1
1875 . 159 GLY HA3 H 3.584 0.002 1
1876 . 159 GLY C C 177.990 0.080 1
1877 . 160 TYR H H 8.156 0.005 1
1878 . 160 TYR N N 119.625 0.070 1
1879 . 160 TYR CA C 59.570 0.080 1
1880 . 160 TYR HA H 4.437 0.002 1
1881 . 160 TYR C C 177.390 0.080 1
1882 . 160 TYR CB C 38.424 0.080 1
1883 . 160 TYR HB2 H 2.525 0.004 1
1884 . 160 TYR HB3 H 2.223 0.003 1
1885 . 160 TYR CD1 C 133.430 0.080 1
1886 . 160 TYR HD1 H 6.848 0.020 1
1887 . 160 TYR CD2 C 133.430 0.080 1
1888 . 160 TYR HD2 H 6.848 0.020 1
1889 . 160 TYR CE1 C 118.648 0.080 1
1890 . 160 TYR HE1 H 6.757 0.020 1
1891 . 160 TYR CE2 C 118.648 0.080 1
1892 . 160 TYR HE2 H 6.757 0.020 1
1893 . 161 SER H H 9.240 0.002 1
1894 . 161 SER N N 117.593 0.070 1
1895 . 161 SER CA C 58.170 0.080 1
1896 . 161 SER HA H 4.596 0.001 1
1897 . 161 SER C C 172.470 0.080 1
1898 . 161 SER CB C 64.350 0.080 1
1899 . 161 SER HB2 H 3.732 0.020 1
1900 . 161 SER HB3 H 3.477 0.020 1
1901 . 162 ILE H H 8.302 0.002 1
1902 . 162 ILE N N 124.781 0.070 1
1903 . 162 ILE CA C 59.820 0.080 1
1904 . 162 ILE HA H 4.491 0.001 1
1905 . 162 ILE C C 173.410 0.080 1
1906 . 162 ILE CB C 38.585 0.080 1
1907 . 162 ILE HB H 1.566 0.003 1
1908 . 162 ILE CG2 C 17.661 0.080 1
1909 . 162 ILE HG2 H 0.409 0.001 1
1910 . 162 ILE CG1 C 26.835 0.080 1
1911 . 162 ILE HG12 H 1.085 0.002 1
1912 . 162 ILE HG13 H 0.894 0.002 1
1913 . 162 ILE CD1 C 13.798 0.080 1
1914 . 162 ILE HD1 H 0.450 0.001 1
1915 . 163 PHE H H 9.823 0.020 1
1916 . 163 PHE N N 126.031 0.070 1
1917 . 163 PHE CA C 55.770 0.080 1
1918 . 163 PHE HA H 5.274 0.004 1
1919 . 163 PHE C C 175.550 0.080 1
1920 . 163 PHE CB C 41.643 0.080 1
1921 . 163 PHE HB2 H 2.988 0.020 1
1922 . 163 PHE HB3 H 2.771 0.001 1
1923 . 163 PHE CD1 C 131.714 0.080 1
1924 . 163 PHE HD1 H 7.020 0.020 1
1925 . 163 PHE CD2 C 131.714 0.080 1
1926 . 163 PHE HD2 H 7.020 0.020 1
1927 . 163 PHE CE1 C 131.714 0.080 1
1928 . 163 PHE HE1 H 7.249 0.020 1
1929 . 163 PHE CE2 C 131.714 0.080 1
1930 . 163 PHE HE2 H 7.249 0.020 1
1931 . 163 PHE CZ C 129.998 0.080 1
1932 . 163 PHE HZ H 7.387 0.020 1
1933 . 164 VAL H H 9.830 0.002 1
1934 . 164 VAL N N 124.781 0.070 1
1935 . 164 VAL CA C 62.170 0.080 1
1936 . 164 VAL HA H 4.130 0.002 1
1937 . 164 VAL C C 175.400 0.080 1
1938 . 164 VAL CB C 33.273 0.080 1
1939 . 164 VAL HB H 1.831 0.004 1
1940 . 164 VAL CG1 C 21.202 0.080 1
1941 . 164 VAL HG1 H 0.781 0.020 1
1942 . 164 VAL CG2 C 21.041 0.080 1
1943 . 164 VAL HG2 H 0.748 0.001 1
1944 . 165 VAL H H 7.885 0.001 1
1945 . 165 VAL N N 126.656 0.070 1
1946 . 165 VAL CA C 61.960 0.080 1
1947 . 165 VAL HA H 4.547 0.001 1
1948 . 165 VAL C C 175.860 0.080 1
1949 . 165 VAL CB C 31.020 0.080 1
1950 . 165 VAL HB H 2.091 0.001 1
1951 . 165 VAL CG1 C 22.650 0.080 1
1952 . 165 VAL HG1 H 0.755 0.001 1
1953 . 165 VAL CG2 C 20.880 0.080 1
1954 . 165 VAL HG2 H 0.747 0.001 1
1955 . 166 LYS H H 9.415 0.002 1
1956 . 166 LYS N N 130.406 0.070 1
1957 . 166 LYS CA C 54.010 0.080 1
1958 . 166 LYS HA H 4.774 0.003 1
1959 . 166 LYS C C 175.250 0.080 1
1960 . 166 LYS CB C 34.400 0.080 1
1961 . 166 LYS HB2 H 1.827 0.020 1
1962 . 166 LYS HB3 H 1.705 0.003 1
1963 . 166 LYS CG C 24.260 0.080 1
1964 . 166 LYS HG2 H 1.506 0.020 1
1965 . 166 LYS HG3 H 1.303 0.020 1
1966 . 166 LYS CD C 29.089 0.080 1
1967 . 166 LYS HD2 H 1.722 0.020 1
1968 . 166 LYS HD3 H 1.722 0.020 1
1969 . 166 LYS CE C 41.643 0.080 1
1970 . 166 LYS HE2 H 3.038 0.001 1
1971 . 166 LYS HE3 H 2.952 0.001 1
1972 . 167 GLY H H 8.293 0.020 1
1973 . 167 GLY N N 111.656 0.070 1
1974 . 167 GLY CA C 43.413 0.080 1
1975 . 167 GLY HA2 H 4.724 0.020 1
1976 . 167 GLY HA3 H 3.724 0.020 1
1977 . 167 GLY C C 172.710 0.080 1
1978 . 168 ASP H H 8.392 0.001 1
1979 . 168 ASP N N 119.468 0.070 1
1980 . 168 ASP CA C 54.390 0.080 1
1981 . 168 ASP HA H 4.624 0.003 1
1982 . 168 ASP C C 175.200 0.080 1
1983 . 168 ASP CB C 40.516 0.080 1
1984 . 168 ASP HB2 H 2.615 0.001 1
1985 . 168 ASP HB3 H 2.543 0.001 1
1986 . 169 LEU H H 7.833 0.004 1
1987 . 169 LEU N N 126.031 0.070 1
1988 . 169 LEU CA C 52.970 0.080 1
1989 . 169 LEU HA H 4.360 0.001 1
1990 . 169 LEU CB C 40.999 0.080 1
1991 . 169 LEU HB2 H 1.521 0.020 1
1992 . 169 LEU HB3 H 1.521 0.020 1
1993 . 169 LEU CG C 26.996 0.080 1
1994 . 169 LEU CD1 C 24.743 0.080 1
1995 . 169 LEU HD1 H 0.816 0.001 1
1996 . 169 LEU CD2 C 24.260 0.080 1
1997 . 169 LEU HD2 H 0.742 0.020 1
1998 . 169 LEU HG H 1.645 0.020 1
1999 . 170 PRO CA C 62.850 0.080 1
2000 . 170 PRO HA H 4.519 0.002 1
2001 . 170 PRO C C 177.110 0.080 1
2002 . 170 PRO CB C 31.986 0.080 1
2003 . 170 PRO HB2 H 2.477 0.020 1
2004 . 170 PRO HB3 H 1.960 0.003 1
2005 . 170 PRO CG C 27.801 0.080 1
2006 . 170 PRO HG2 H 1.960 0.020 1
2007 . 170 PRO HG3 H 1.847 0.020 1
2008 . 170 PRO CD C 50.200 0.080 1
2009 . 170 PRO HD2 H 3.858 0.001 1
2010 . 170 PRO HD3 H 3.436 0.002 1
2011 . 171 ASP H H 8.759 0.007 1
2012 . 171 ASP N N 123.531 0.070 1
2013 . 171 ASP CA C 55.150 0.080 1
2014 . 171 ASP HA H 4.652 0.003 1
2015 . 171 ASP C C 175.740 0.080 1
2016 . 171 ASP CB C 41.160 0.080 1
2017 . 171 ASP HB2 H 2.662 0.020 1
2018 . 171 ASP HB3 H 2.587 0.020 1
2019 . 172 CYS H H 8.462 0.001 1
2020 . 172 CYS N N 115.406 0.070 1
2021 . 172 CYS CA C 56.040 0.080 1
2022 . 172 CYS HA H 5.098 0.020 1
2023 . 172 CYS C C 174.680 0.080 1
2024 . 172 CYS CB C 31.986 0.080 1
2025 . 172 CYS HB2 H 3.300 0.008 1
2026 . 172 CYS HB3 H 3.194 0.001 1
2027 . 173 GLU H H 8.994 0.002 1
2028 . 173 GLU N N 123.062 0.070 1
2029 . 173 GLU CA C 59.660 0.080 1
2030 . 173 GLU HA H 4.080 0.003 1
2031 . 173 GLU C C 178.580 0.080 1
2032 . 173 GLU CB C 30.054 0.080 1
2033 . 173 GLU HB2 H 2.130 0.001 1
2034 . 173 GLU HB3 H 2.055 0.020 1
2035 . 173 GLU CG C 36.653 0.080 1
2036 . 173 GLU HG2 H 2.379 0.020 1
2037 . 173 GLU HG3 H 2.285 0.020 1
2038 . 174 ALA H H 8.586 0.002 1
2039 . 174 ALA N N 119.781 0.070 1
2040 . 174 ALA CA C 54.680 0.080 1
2041 . 174 ALA HA H 4.114 0.003 1
2042 . 174 ALA C C 178.170 0.080 1
2043 . 174 ALA CB C 19.592 0.080 1
2044 . 174 ALA HB H 1.353 0.001 1
2045 . 175 ASP H H 7.540 0.001 1
2046 . 175 ASP N N 116.500 0.070 1
2047 . 175 ASP CA C 56.650 0.080 1
2048 . 175 ASP HA H 4.437 0.004 1
2049 . 175 ASP C C 177.300 0.080 1
2050 . 175 ASP CB C 41.804 0.080 1
2051 . 175 ASP HB2 H 2.831 0.001 1
2052 . 175 ASP HB3 H 2.758 0.001 1
2053 . 176 GLN H H 7.577 0.009 1
2054 . 176 GLN N N 116.500 0.070 1
2055 . 176 GLN CA C 57.200 0.080 1
2056 . 176 GLN HA H 4.231 0.020 1
2057 . 176 GLN CB C 28.928 0.080 1
2058 . 176 GLN HB2 H 2.172 0.002 1
2059 . 176 GLN HB3 H 2.172 0.003 1
2060 . 176 GLN CG C 33.756 0.080 1
2061 . 176 GLN HG2 H 2.512 0.020 1
2062 . 176 GLN HG3 H 2.512 0.020 1
2063 . 176 GLN NE2 N 112.437 0.070 1
2064 . 176 GLN HE21 H 7.604 0.001 1
2065 . 176 GLN HE22 H 6.805 0.002 1
2066 . 177 LEU H H 8.147 0.002 1
2067 . 177 LEU N N 120.093 0.070 1
2068 . 177 LEU CA C 56.960 0.080 1
2069 . 177 LEU HA H 4.231 0.001 1
2070 . 177 LEU C C 174.580 0.080 1
2071 . 177 LEU CB C 42.287 0.080 1
2072 . 177 LEU HB2 H 1.754 0.020 1
2073 . 177 LEU HB3 H 1.543 0.001 1
2074 . 177 LEU CG C 26.996 0.080 1
2075 . 177 LEU CD1 C 25.226 0.080 1
2076 . 177 LEU HD1 H 0.918 0.001 1
2077 . 177 LEU CD2 C 23.294 0.080 1
2078 . 177 LEU HD2 H 0.887 0.020 1
2079 . 177 LEU HG H 1.772 0.003 1
2080 . 178 LEU H H 8.128 0.003 1
2081 . 178 LEU N N 119.780 0.070 1
2082 . 178 LEU CA C 56.200 0.080 1
2083 . 178 LEU HA H 4.290 0.007 1
2084 . 178 LEU CB C 41.482 0.080 1
2085 . 178 LEU HB2 H 1.730 0.020 1
2086 . 178 LEU HB3 H 1.695 0.003 1
2087 . 178 LEU CG C 27.640 0.080 1
2088 . 178 LEU CD1 C 23.616 0.080 1
2089 . 178 LEU HD1 H 0.876 0.001 1
2090 . 178 LEU CD2 C 25.548 0.080 1
2091 . 178 LEU HD2 H 0.850 0.020 1
2092 . 178 LEU HG H 1.676 0.001 1
2093 . 179 GLN H H 7.846 0.002 1
2094 . 179 GLN N N 118.840 0.070 1
2095 . 179 GLN CA C 56.600 0.080 1
2096 . 179 GLN HA H 4.290 0.005 1
2097 . 179 GLN C C 175.930 0.080 1
2098 . 179 GLN CB C 34.078 0.080 1
2099 . 179 GLN HB2 H 2.439 0.020 1
2100 . 179 GLN HB3 H 2.439 0.020 1
2101 . 179 GLN CG C 29.089 0.080 1
2102 . 179 GLN HG2 H 2.168 0.002 1
2103 . 179 GLN HG3 H 2.063 0.001 1
2104 . 179 GLN NE2 N 112.200 0.070 1
2105 . 179 GLN HE21 H 7.490 0.020 1
2106 . 179 GLN HE22 H 6.830 0.020 1
2107 . 180 MET H H 7.937 0.003 1
2108 . 180 MET N N 119.312 0.070 1
2109 . 180 MET CA C 55.650 0.080 1
2110 . 180 MET HA H 4.459 0.004 1
2111 . 180 MET C C 177.730 0.080 1
2112 . 180 MET CB C 33.112 0.080 1
2113 . 180 MET HB2 H 2.123 0.020 1
2114 . 180 MET HB3 H 2.055 0.001 1
2115 . 180 MET CG C 32.147 0.080 1
2116 . 180 MET HG2 H 2.656 0.003 1
2117 . 180 MET HG3 H 2.559 0.001 1
2118 . 180 MET CE C 16.850 0.000 1
2119 . 180 MET HE H 1.975 0.000 1
2120 . 181 ILE H H 8.022 0.002 1
2121 . 181 ILE N N 122.430 0.070 1
2122 . 181 ILE CA C 61.420 0.080 1
2123 . 181 ILE HA H 4.177 0.002 1
2124 . 181 ILE C C 175.160 0.080 1
2125 . 181 ILE CB C 38.585 0.080 1
2126 . 181 ILE HB H 1.922 0.020 1
2127 . 181 ILE CG2 C 17.500 0.080 1
2128 . 181 ILE HG2 H 0.936 0.001 1
2129 . 181 ILE CG1 C 27.318 0.080 1
2130 . 181 ILE HG12 H 1.538 0.001 1
2131 . 181 ILE HG13 H 1.248 0.020 1
2132 . 181 ILE CD1 C 12.832 0.080 1
2133 . 181 ILE HD1 H 0.888 0.001 1
2134 . 182 ARG H H 7.952 0.001 1
2135 . 182 ARG N N 130.400 0.070 1
2136 . 182 ARG CA C 57.580 0.080 1
2137 . 182 ARG HA H 4.213 0.001 1
2138 . 182 ARG CB C 31.825 0.080 1
2139 . 182 ARG HB2 H 1.850 0.001 1
2140 . 182 ARG HB3 H 1.721 0.020 1
2141 . 182 ARG CG C 27.318 0.080 1
2142 . 182 ARG HG2 H 1.589 0.020 1
2143 . 182 ARG HG3 H 1.589 0.020 1
2144 . 182 ARG CD C 43.574 0.080 1
2145 . 182 ARG HD2 H 3.195 0.020 1
2146 . 182 ARG HD3 H 3.195 0.020 1
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