data_4961
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H, 15N and 13C assignments of the N-terminal domain of Yersinia outer protein H
in its apo form and in complex with a phosphotyrosine peptide representing the
putative binding site on host protein target p130Cas
;
_BMRB_accession_number 4961
_BMRB_flat_file_name bmr4961.str
_Entry_type original
_Submission_date 2001-02-22
_Accession_date 2001-02-22
_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 Khandelwal Purnima . .
2 Keliikuli Kai . .
3 Smith Craig L. .
4 Saper Mark A. .
5 Zuiderweg Erik R.P. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 491
"13C chemical shifts" 479
"15N chemical shifts" 123
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2001-04-01 update author 'Original release.'
2001-09-27 update BMRB 'Update publication information.'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Letter to the Editor: 1H, 15N and 13C assignments of the N-terminal domain of
Yersinia outer protein H in its apo form and in complex with a phosphotyrosine
peptide
;
_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 Khandelwal Purnima . .
2 Keliikuli Kai . .
3 Smith Craig L. .
4 Saper Mark A. .
5 Zuiderweg Erik R.P. .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 21
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 69
_Page_last 70
_Year 2001
_Details .
loop_
_Keyword
'chemical shift index'
'heteronuclear NMR'
p130Cas
'peptide complex'
'sequential assignments'
YopH
stop_
save_
##################################
# Molecular system description #
##################################
save_system_YopH
_Saveframe_category molecular_system
_Mol_system_name 'YopH complex'
_Abbreviation_common YopH
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'YopH subunit 1' $YopH
'phosphotyrosine peptide' $phosphotyrosine_peptide
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state complex
_System_paramagnetic no
_System_thiol_state 'all free'
loop_
_Biological_function
'defeats the non-specific immune response of host organisms'
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_YopH
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Yersinia outer protein H'
_Abbreviation_common YopH
_Molecular_mass 15000
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 136
_Mol_residue_sequence
;
MNLSLSDLHRQVSRLVQQES
GDCTGKLRGNVAANKETTFQ
GLTIASGARESEKVFAQTVL
SHVANVVLTQEDTAKLLQST
VKHNLNNYDLRSVGNGNSVL
VSLRSDQMTLQDAKVLLEAA
LRQESGARGSHHHHHH
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 ASN 3 LEU 4 SER 5 LEU
6 SER 7 ASP 8 LEU 9 HIS 10 ARG
11 GLN 12 VAL 13 SER 14 ARG 15 LEU
16 VAL 17 GLN 18 GLN 19 GLU 20 SER
21 GLY 22 ASP 23 CYS 24 THR 25 GLY
26 LYS 27 LEU 28 ARG 29 GLY 30 ASN
31 VAL 32 ALA 33 ALA 34 ASN 35 LYS
36 GLU 37 THR 38 THR 39 PHE 40 GLN
41 GLY 42 LEU 43 THR 44 ILE 45 ALA
46 SER 47 GLY 48 ALA 49 ARG 50 GLU
51 SER 52 GLU 53 LYS 54 VAL 55 PHE
56 ALA 57 GLN 58 THR 59 VAL 60 LEU
61 SER 62 HIS 63 VAL 64 ALA 65 ASN
66 VAL 67 VAL 68 LEU 69 THR 70 GLN
71 GLU 72 ASP 73 THR 74 ALA 75 LYS
76 LEU 77 LEU 78 GLN 79 SER 80 THR
81 VAL 82 LYS 83 HIS 84 ASN 85 LEU
86 ASN 87 ASN 88 TYR 89 ASP 90 LEU
91 ARG 92 SER 93 VAL 94 GLY 95 ASN
96 GLY 97 ASN 98 SER 99 VAL 100 LEU
101 VAL 102 SER 103 LEU 104 ARG 105 SER
106 ASP 107 GLN 108 MET 109 THR 110 LEU
111 GLN 112 ASP 113 ALA 114 LYS 115 VAL
116 LEU 117 LEU 118 GLU 119 ALA 120 ALA
121 LEU 122 ARG 123 GLN 124 GLU 125 SER
126 GLY 127 ALA 128 ARG 129 GLY 130 SER
131 HIS 132 HIS 133 HIS 134 HIS 135 HIS
136 HIS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-05-12
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
PDB 1HUF "Crystal Structure Of The N-Terminal Domain Of The Tyrosine Phosphatase Yoph From Yersinia Pestis" 99.26 140 99.26 99.26 1.12e-69
PDB 1K46 "Crystal Structure Of The Type Iii Secretory Domain Of Yersinia Yoph Reveals A Domain-Swapped Dimer" 100.00 136 100.00 100.00 2.00e-71
PDB 1M0V "Nmr Structure Of The Type Iii Secretory Domain Of Yersinia Yoph Complexed With The Skap-Hom Phospho-Peptide N-Acetyl- Depyddpf-" 100.00 136 100.00 100.00 2.00e-71
stop_
save_
save_phosphotyrosine_peptide
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common DEpYDDPF
_Abbreviation_common DEpYDDPF
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
_Residue_count 7
_Mol_residue_sequence DEXDDPF
loop_
_Residue_seq_code
_Residue_label
1 ASP 2 GLU 3 PTR 4 ASP 5 ASP
6 PRO 7 PHE
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
######################
# Polymer residues #
######################
save_chem_comp_PTR
_Saveframe_category polymer_residue
_Mol_type 'L-peptide linking'
_Name_common O-PHOSPHOTYROSINE
_BMRB_code .
_PDB_code PTR
_Standard_residue_derivative .
_Molecular_mass 261.168
_Mol_paramagnetic .
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Thu Jun 16 11:19:43 2011
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
N N N . 0 . ?
CA CA C . 0 . ?
C C C . 0 . ?
O O O . 0 . ?
OXT OXT O . 0 . ?
CB CB C . 0 . ?
CG CG C . 0 . ?
CD1 CD1 C . 0 . ?
CD2 CD2 C . 0 . ?
CE1 CE1 C . 0 . ?
CE2 CE2 C . 0 . ?
CZ CZ C . 0 . ?
OH OH O . 0 . ?
P P P . 0 . ?
O1P O1P O . 0 . ?
O2P O2P O . 0 . ?
O3P O3P O . 0 . ?
H H H . 0 . ?
HN2 HN2 H . 0 . ?
HA HA H . 0 . ?
HXT HXT H . 0 . ?
HB2 HB2 H . 0 . ?
HB3 HB3 H . 0 . ?
HD1 HD1 H . 0 . ?
HD2 HD2 H . 0 . ?
HE1 HE1 H . 0 . ?
HE2 HE2 H . 0 . ?
HO2P HO2P H . 0 . ?
HO3P HO3P H . 0 . ?
stop_
loop_
_Bond_order
_Bond_atom_one_atom_name
_Bond_atom_two_atom_name
_PDB_bond_atom_one_atom_name
_PDB_bond_atom_two_atom_name
SING N CA ? ?
SING N H ? ?
SING N HN2 ? ?
SING CA C ? ?
SING CA CB ? ?
SING CA HA ? ?
DOUB C O ? ?
SING C OXT ? ?
SING OXT HXT ? ?
SING CB CG ? ?
SING CB HB2 ? ?
SING CB HB3 ? ?
DOUB CG CD1 ? ?
SING CG CD2 ? ?
SING CD1 CE1 ? ?
SING CD1 HD1 ? ?
DOUB CD2 CE2 ? ?
SING CD2 HD2 ? ?
DOUB CE1 CZ ? ?
SING CE1 HE1 ? ?
SING CE2 CZ ? ?
SING CE2 HE2 ? ?
SING CZ OH ? ?
SING OH P ? ?
DOUB P O1P ? ?
SING P O2P ? ?
SING P O3P ? ?
SING O2P HO2P ? ?
SING O3P HO3P ? ?
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$YopH 'Yersinia pestis' 632 Bacteria . Yersinia pestis
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$YopH 'recombinant technology' . . . . .
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
$YopH . mM 0.6 0.9 '[U-13C; U-15N]'
$phosphotyrosine_peptide . mM 0.6 0.9 .
stop_
save_
############################
# Computer software used #
############################
save_NMRPIPE
_Saveframe_category software
_Name NMRPipe
_Version .
_Details .
save_
save_NMRVIEW
_Saveframe_category software
_Name NMRView
_Version .
_Details .
save_
save_XEASY
_Saveframe_category software
_Name XEASY
_Version .
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AMX
_Field_strength 500
_Details .
save_
save_NMR_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model Inova
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_HNCA_1
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_Sample_label $sample_1
save_
save_HN(CO)CA_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CO)CA
_Sample_label $sample_1
save_
save_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label $sample_1
save_
save_HN(CA)CO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CA)CO
_Sample_label $sample_1
save_
save_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label $sample_1
save_
save_HN(CA)HA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CA)HA
_Sample_label $sample_1
save_
save_(H)CCH_TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '(H)CCH TOCSY'
_Sample_label $sample_1
save_
save_HCCH_TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name 'HCCH TOCSY'
_Sample_label $sample_1
save_
save_13C_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '13C NOESY'
_Sample_label $sample_1
save_
save_15N_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N NOESY'
_Sample_label $sample_1
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CO)CA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CA)CO
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CA)HA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '(H)CCH TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_8
_Saveframe_category NMR_applied_experiment
_Experiment_name 'HCCH TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '13C NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_cond_set_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 1 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
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation
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_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $cond_set_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'YopH subunit 1'
_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 . 2 ASN CA C 52.825 0.059 1
2 . 2 ASN HA H 4.886 0.005 1
3 . 2 ASN CB C 39.382 0.017 1
4 . 2 ASN HB2 H 2.790 0.005 2
5 . 2 ASN HB3 H 2.718 0.005 2
6 . 2 ASN C C 173.853 0.000 1
7 . 3 LEU N N 124.523 0.038 1
8 . 3 LEU H H 8.537 0.013 1
9 . 3 LEU CA C 54.579 0.036 1
10 . 3 LEU HA H 4.610 0.020 1
11 . 3 LEU CB C 43.435 0.012 1
12 . 3 LEU HB2 H 1.752 0.004 2
13 . 3 LEU HB3 H 1.511 0.004 2
14 . 3 LEU CG C 26.926 0.000 1
15 . 3 LEU HG H 1.877 0.004 1
16 . 3 LEU CD1 C 26.521 0.000 2
17 . 3 LEU CD2 C 23.581 0.000 2
18 . 3 LEU HD1 H 0.972 0.000 1
19 . 3 LEU HD2 H 0.972 0.000 1
20 . 3 LEU C C 177.301 0.000 1
21 . 4 SER N N 121.636 0.162 1
22 . 4 SER H H 9.351 0.013 1
23 . 4 SER CA C 56.995 0.052 1
24 . 4 SER HA H 4.428 0.025 1
25 . 4 SER CB C 65.003 0.000 1
26 . 4 SER C C 173.215 0.000 1
27 . 5 LEU N N 123.087 0.179 1
28 . 5 LEU H H 8.937 0.011 1
29 . 5 LEU CA C 58.668 0.048 1
30 . 5 LEU HA H 3.452 0.013 1
31 . 5 LEU CB C 40.678 0.032 1
32 . 5 LEU HB2 H 1.779 0.004 2
33 . 5 LEU HB3 H 1.421 0.004 2
34 . 5 LEU CG C 27.433 0.000 1
35 . 5 LEU HG H 1.261 0.004 1
36 . 5 LEU HD1 H 0.785 0.000 2
37 . 5 LEU HD2 H 0.660 0.000 2
38 . 5 LEU CD1 C 25.507 0.000 2
39 . 5 LEU CD2 C 23.581 0.000 2
40 . 5 LEU C C 177.407 0.000 1
41 . 6 SER N N 111.981 0.167 1
42 . 6 SER H H 8.499 0.012 1
43 . 6 SER CA C 62.051 0.046 1
44 . 6 SER HA H 4.059 0.009 1
45 . 6 SER CB C 62.051 0.000 1
46 . 6 SER HB2 H 4.060 0.000 2
47 . 6 SER HB3 H 3.812 0.000 2
48 . 6 SER C C 176.960 0.000 1
49 . 7 ASP N N 124.174 0.120 1
50 . 7 ASP H H 8.120 0.005 1
51 . 7 ASP CA C 57.633 0.040 1
52 . 7 ASP HA H 4.613 0.010 1
53 . 7 ASP CB C 40.785 0.075 1
54 . 7 ASP HB2 H 2.873 0.005 2
55 . 7 ASP HB3 H 2.683 0.010 2
56 . 7 ASP C C 177.748 0.000 1
57 . 8 LEU N N 123.574 0.210 1
58 . 8 LEU H H 8.993 0.013 1
59 . 8 LEU CA C 58.358 0.048 1
60 . 8 LEU HA H 4.014 0.014 1
61 . 8 LEU CB C 41.404 0.117 1
62 . 8 LEU HB2 H 1.832 0.004 2
63 . 8 LEU HB3 H 1.502 0.004 2
64 . 8 LEU CG C 26.926 0.000 1
65 . 8 LEU HG H 1.573 0.004 1
66 . 8 LEU CD1 C 24.291 0.000 2
67 . 8 LEU HD1 H 0.830 0.000 1
68 . 8 LEU HD2 H 0.830 0.000 1
69 . 8 LEU C C 177.897 0.000 1
70 . 9 HIS N N 117.757 0.157 1
71 . 9 HIS H H 8.584 0.015 1
72 . 9 HIS CA C 61.358 0.043 1
73 . 9 HIS HA H 3.906 0.024 1
74 . 9 HIS CB C 30.848 0.031 1
75 . 9 HIS HB2 H 3.254 0.021 2
76 . 9 HIS HB3 H 2.922 0.004 2
77 . 9 HIS C C 177.152 0.000 1
78 . 10 ARG N N 124.410 0.120 1
79 . 10 ARG H H 8.769 0.015 1
80 . 10 ARG CA C 60.295 0.057 1
81 . 10 ARG HA H 3.909 0.008 1
82 . 10 ARG CB C 30.274 0.098 1
83 . 10 ARG HB2 H 2.222 0.000 2
84 . 10 ARG HB3 H 2.126 0.000 2
85 . 10 ARG CG C 28.244 0.000 1
86 . 10 ARG CD C 43.346 0.000 1
87 . 10 ARG C C 179.024 0.000 1
88 . 11 GLN N N 120.136 0.071 1
89 . 11 GLN H H 8.381 0.016 1
90 . 11 GLN CA C 61.381 0.045 1
91 . 11 GLN HA H 3.902 0.021 1
92 . 11 GLN CB C 27.729 0.000 1
93 . 11 GLN CG C 34.730 0.000 1
94 . 11 GLN C C 177.556 0.000 1
95 . 12 VAL N N 118.981 0.164 1
96 . 12 VAL H H 8.457 0.013 1
97 . 12 VAL CA C 67.232 0.043 1
98 . 12 VAL HA H 3.433 0.013 1
99 . 12 VAL CB C 32.148 0.049 1
100 . 12 VAL HB H 2.103 0.004 1
101 . 12 VAL HG1 H 1.246 0.004 2
102 . 12 VAL HG2 H 1.005 0.004 2
103 . 12 VAL CG1 C 24.189 0.000 2
104 . 12 VAL CG2 C 22.365 0.000 2
105 . 12 VAL C C 176.811 0.000 1
106 . 13 SER N N 114.391 0.162 1
107 . 13 SER H H 8.651 0.014 1
108 . 13 SER CA C 62.872 0.053 1
109 . 13 SER HA H 4.120 0.521 1
110 . 13 SER C C 175.556 0.000 1
111 . 14 ARG N N 123.829 0.178 1
112 . 14 ARG H H 7.746 0.015 1
113 . 14 ARG CA C 57.678 0.105 1
114 . 14 ARG HA H 4.202 0.074 1
115 . 14 ARG CB C 29.322 0.000 1
116 . 14 ARG C C 176.960 0.000 1
117 . 15 LEU N N 120.003 0.192 1
118 . 15 LEU H H 7.626 0.012 1
119 . 15 LEU CA C 57.845 0.085 1
120 . 15 LEU HA H 4.010 0.013 1
121 . 15 LEU CB C 42.625 0.113 1
122 . 15 LEU CG C 26.723 0.000 1
123 . 15 LEU HG H 1.663 0.004 1
124 . 15 LEU CD1 C 22.973 0.000 2
125 . 15 LEU HD1 H 1.401 0.000 1
126 . 15 LEU HD2 H 1.401 0.000 1
127 . 15 LEU C C 177.686 0.000 1
128 . 16 VAL N N 120.178 0.156 1
129 . 16 VAL H H 8.270 0.014 1
130 . 16 VAL CA C 66.385 0.124 1
131 . 16 VAL HA H 3.420 0.006 1
132 . 16 VAL CB C 31.096 0.000 1
133 . 16 VAL HB H 2.121 0.000 1
134 . 16 VAL HG1 H 0.869 0.000 1
135 . 16 VAL HG2 H 0.869 0.000 1
136 . 16 VAL C C 177.641 0.000 1
137 . 17 GLN N N 120.448 0.151 1
138 . 17 GLN H H 7.764 0.010 1
139 . 17 GLN CA C 58.157 0.059 1
140 . 17 GLN HA H 4.131 0.010 1
141 . 17 GLN CB C 28.559 0.090 1
142 . 17 GLN CG C 34.021 0.000 1
143 . 17 GLN HG2 H 2.568 0.004 1
144 . 17 GLN HG3 H 2.452 0.004 1
145 . 17 GLN C C 176.811 0.000 1
146 . 18 GLN N N 117.847 0.173 1
147 . 18 GLN H H 7.687 0.016 1
148 . 18 GLN CA C 56.068 0.047 1
149 . 18 GLN HA H 4.355 0.011 1
150 . 18 GLN CB C 29.132 0.024 1
151 . 18 GLN CG C 33.920 0.000 1
152 . 18 GLN HG2 H 2.496 0.004 1
153 . 18 GLN HG3 H 2.362 0.004 1
154 . 18 GLN C C 174.790 0.000 1
155 . 19 GLU N N 115.357 0.170 1
156 . 19 GLU H H 7.929 0.016 1
157 . 19 GLU CA C 56.205 0.070 1
158 . 19 GLU HA H 4.520 0.025 1
159 . 19 GLU CB C 27.432 0.102 1
160 . 19 GLU HB2 H 2.291 0.004 2
161 . 19 GLU HB3 H 2.137 0.050 2
162 . 19 GLU CG C 35.541 0.000 1
163 . 19 GLU C C 175.577 0.000 1
164 . 20 SER N N 114.235 0.125 1
165 . 20 SER H H 7.766 0.014 1
166 . 20 SER CA C 57.712 0.067 1
167 . 20 SER HA H 4.812 0.006 1
168 . 20 SER CB C 63.507 0.000 1
169 . 20 SER HB2 H 4.044 0.006 2
170 . 20 SER HB3 H 3.818 0.012 2
171 . 20 SER C C 174.960 0.000 1
172 . 21 GLY N N 110.546 0.194 1
173 . 21 GLY H H 9.032 0.011 1
174 . 21 GLY CA C 47.381 0.038 1
175 . 21 GLY C C 172.704 0.000 1
176 . 22 ASP N N 117.566 0.146 1
177 . 22 ASP H H 8.408 0.007 1
178 . 22 ASP CA C 54.535 0.043 1
179 . 22 ASP HA H 4.834 0.015 1
180 . 22 ASP CB C 41.044 0.029 1
181 . 22 ASP HB2 H 2.916 0.004 2
182 . 22 ASP HB3 H 2.669 0.004 2
183 . 22 ASP C C 175.939 0.000 1
184 . 23 CYS N N 118.671 0.082 1
185 . 23 CYS H H 7.551 0.015 1
186 . 23 CYS CA C 58.967 0.041 1
187 . 23 CYS HA H 4.744 0.013 1
188 . 23 CYS CB C 28.456 0.010 1
189 . 23 CYS HB2 H 3.046 0.009 2
190 . 23 CYS HB3 H 2.894 0.009 2
191 . 23 CYS C C 174.790 0.000 1
192 . 24 THR N N 115.052 0.277 1
193 . 24 THR H H 9.227 0.010 1
194 . 24 THR CA C 61.014 0.048 1
195 . 24 THR HA H 4.666 0.012 1
196 . 24 THR CB C 68.422 0.000 1
197 . 24 THR HB H 4.484 0.012 1
198 . 24 THR HG2 H 1.305 0.000 1
199 . 24 THR CG2 C 25.102 0.000 1
200 . 24 THR C C 174.215 0.000 1
201 . 25 GLY N N 106.397 0.191 1
202 . 25 GLY H H 7.969 0.014 1
203 . 25 GLY CA C 43.430 0.041 1
204 . 25 GLY C C 170.853 0.000 1
205 . 26 LYS N N 119.241 0.051 1
206 . 26 LYS H H 8.157 0.020 1
207 . 26 LYS CA C 54.161 0.043 1
208 . 26 LYS HA H 4.509 0.012 1
209 . 26 LYS CB C 34.450 0.000 1
210 . 26 LYS C C 174.236 0.000 1
211 . 27 LEU N N 124.986 0.169 1
212 . 27 LEU H H 8.412 0.012 1
213 . 27 LEU CA C 54.403 0.108 1
214 . 27 LEU HA H 5.279 0.006 1
215 . 27 LEU CB C 46.344 0.143 1
216 . 27 LEU CG C 27.027 0.000 1
217 . 27 LEU HG H 1.612 0.004 1
218 . 27 LEU HD1 H 0.868 0.000 2
219 . 27 LEU HD2 H 1.020 0.000 2
220 . 27 LEU CD1 C 23.683 0.000 2
221 . 27 LEU C C 173.257 0.000 1
222 . 28 ARG N N 128.128 0.061 1
223 . 28 ARG H H 7.952 0.014 1
224 . 28 ARG CA C 58.124 0.068 1
225 . 28 ARG HA H 4.152 0.006 1
226 . 28 ARG CB C 29.207 0.000 1
227 . 28 ARG CG C 28.649 0.000 1
228 . 28 ARG CD C 42.839 0.000 1
229 . 28 ARG C C 174.683 0.000 1
230 . 29 GLY N N 120.435 0.172 1
231 . 29 GLY H H 9.274 0.011 1
232 . 29 GLY CA C 47.184 0.034 1
233 . 29 GLY C C 172.726 0.000 1
234 . 30 ASN N N 120.621 0.069 1
235 . 30 ASN H H 7.635 0.011 1
236 . 30 ASN CA C 52.087 0.039 1
237 . 30 ASN HA H 5.272 0.007 1
238 . 30 ASN CB C 42.355 0.000 1
239 . 30 ASN HB2 H 2.914 0.000 2
240 . 30 ASN HB3 H 2.271 0.000 2
241 . 30 ASN C C 173.151 0.000 1
242 . 31 VAL N N 121.874 0.174 1
243 . 31 VAL H H 9.125 0.013 1
244 . 31 VAL CA C 61.286 0.040 1
245 . 31 VAL HA H 4.827 0.012 1
246 . 31 VAL CB C 32.772 0.032 1
247 . 31 VAL HB H 2.014 0.004 1
248 . 31 VAL HG1 H 1.148 0.004 2
249 . 31 VAL HG2 H 0.773 0.004 2
250 . 31 VAL CG1 C 24.493 0.000 2
251 . 31 VAL CG2 C 23.480 0.000 2
252 . 31 VAL C C 173.853 0.000 1
253 . 32 ALA N N 126.952 0.175 1
254 . 32 ALA H H 8.836 0.015 1
255 . 32 ALA CA C 49.984 0.090 1
256 . 32 ALA HA H 4.381 0.008 1
257 . 32 ALA HB H 0.684 0.004 1
258 . 32 ALA CB C 22.785 0.087 1
259 . 32 ALA C C 174.300 0.000 1
260 . 33 ALA N N 121.723 0.176 1
261 . 33 ALA H H 8.610 0.013 1
262 . 33 ALA CA C 50.509 0.100 1
263 . 33 ALA HA H 4.515 0.012 1
264 . 33 ALA HB H 1.145 0.004 1
265 . 33 ALA CB C 20.028 0.107 1
266 . 33 ALA C C 176.449 0.000 1
267 . 34 ASN N N 120.667 0.165 1
268 . 34 ASN H H 8.933 0.014 1
269 . 34 ASN CA C 52.300 0.043 1
270 . 34 ASN HA H 4.193 0.420 1
271 . 34 ASN CB C 37.190 0.176 1
272 . 34 ASN HB2 H 2.983 0.332 2
273 . 34 ASN HB3 H 2.806 0.384 2
274 . 34 ASN C C 174.361 0.000 1
275 . 35 LYS N N 126.437 0.058 1
276 . 35 LYS H H 8.509 0.012 1
277 . 35 LYS CA C 55.421 0.045 1
278 . 35 LYS HA H 4.568 0.019 1
279 . 35 LYS CB C 31.672 0.000 1
280 . 35 LYS CG C 25.112 0.000 1
281 . 35 LYS CD C 28.501 0.000 1
282 . 36 GLU N N 120.072 0.000 1
283 . 36 GLU H H 8.171 0.004 1
284 . 36 GLU CA C 58.063 0.037 1
285 . 36 GLU HA H 4.299 0.035 1
286 . 36 GLU CB C 31.479 0.211 1
287 . 36 GLU CG C 36.960 0.000 1
288 . 36 GLU C C 175.726 0.000 1
289 . 37 THR N N 112.018 0.184 1
290 . 37 THR H H 7.422 0.015 1
291 . 37 THR CA C 59.521 0.042 1
292 . 37 THR HA H 4.697 0.017 1
293 . 37 THR CB C 70.849 0.137 1
294 . 37 THR HB H 4.614 0.048 1
295 . 37 THR HG2 H 1.198 0.004 1
296 . 37 THR CG2 C 22.061 0.000 1
297 . 37 THR C C 172.896 0.000 1
298 . 38 THR N N 112.676 0.024 1
299 . 38 THR H H 8.089 0.020 1
300 . 38 THR CA C 60.263 0.050 1
301 . 38 THR HA H 4.574 0.024 1
302 . 38 THR CB C 71.422 0.000 1
303 . 38 THR HB H 4.420 0.096 1
304 . 38 THR HG2 H 1.206 0.000 1
305 . 38 THR CG2 C 22.061 0.000 1
306 . 38 THR C C 174.449 0.000 1
307 . 39 PHE N N 120.929 0.173 1
308 . 39 PHE H H 9.034 0.014 1
309 . 39 PHE CA C 59.964 0.059 1
310 . 39 PHE HA H 3.921 0.011 1
311 . 39 PHE CB C 38.250 0.073 1
312 . 39 PHE HB2 H 2.822 0.005 2
313 . 39 PHE HB3 H 2.740 0.004 2
314 . 39 PHE C C 174.598 0.000 1
315 . 40 GLN N N 128.390 0.171 1
316 . 40 GLN H H 8.071 0.014 1
317 . 40 GLN CA C 54.064 0.141 1
318 . 40 GLN HA H 4.212 0.018 1
319 . 40 GLN CB C 32.099 0.000 1
320 . 40 GLN HG2 H 2.286 0.000 1
321 . 40 GLN HG3 H 2.171 0.000 1
322 . 41 GLY N N 118.340 0.193 1
323 . 41 GLY H H 7.931 0.014 1
324 . 41 GLY CA C 46.885 0.147 1
325 . 41 GLY HA2 H 3.579 0.000 1
326 . 41 GLY HA3 H 3.413 0.000 1
327 . 41 GLY C C 174.109 0.000 1
328 . 42 LEU N N 118.307 0.192 1
329 . 42 LEU H H 7.912 0.009 1
330 . 42 LEU CA C 54.147 0.054 1
331 . 42 LEU HA H 5.105 1.641 1
332 . 42 LEU CB C 42.186 0.045 1
333 . 42 LEU HB2 H 1.386 0.004 2
334 . 42 LEU HB3 H 1.305 0.004 2
335 . 42 LEU CG C 26.622 0.000 1
336 . 42 LEU HG H 1.139 0.004 1
337 . 42 LEU CD1 C 25.102 0.000 2
338 . 42 LEU CD2 C 20.338 0.000 2
339 . 42 LEU HD1 H 0.779 0.000 1
340 . 42 LEU HD2 H 0.779 0.000 1
341 . 42 LEU C C 177.003 0.000 1
342 . 43 THR N N 111.478 0.143 1
343 . 43 THR H H 8.060 0.013 1
344 . 43 THR CA C 59.513 0.046 1
345 . 43 THR HA H 4.829 0.013 1
346 . 43 THR CB C 72.435 0.000 1
347 . 43 THR HB H 4.536 0.000 1
348 . 43 THR HG2 H 1.181 0.000 1
349 . 43 THR CG2 C 21.012 0.000 1
350 . 43 THR C C 178.046 0.000 1
351 . 44 ILE N N 125.935 0.108 1
352 . 44 ILE H H 9.860 0.015 1
353 . 44 ILE CA C 63.690 0.054 1
354 . 44 ILE HA H 4.184 0.021 1
355 . 44 ILE CB C 36.520 0.066 1
356 . 44 ILE HB H 2.103 0.004 1
357 . 44 ILE HG2 H 0.938 0.004 1
358 . 44 ILE CG2 C 17.500 0.000 1
359 . 44 ILE CG1 C 27.129 0.000 1
360 . 44 ILE HG12 H 1.470 0.000 2
361 . 44 ILE HG13 H 1.519 0.000 2
362 . 44 ILE HD1 H 0.733 0.000 1
363 . 44 ILE CD1 C 11.317 0.000 2
364 . 44 ILE C C 178.173 0.000 1
365 . 45 ALA N N 122.314 0.066 1
366 . 45 ALA H H 8.203 0.010 1
367 . 45 ALA CA C 54.310 0.042 1
368 . 45 ALA HA H 4.289 0.009 1
369 . 45 ALA HB H 1.443 0.004 1
370 . 45 ALA CB C 18.413 0.202 1
371 . 45 ALA C C 177.939 0.000 1
372 . 46 SER N N 112.217 0.154 1
373 . 46 SER H H 7.965 0.015 1
374 . 46 SER CA C 56.274 0.050 1
375 . 46 SER HA H 4.775 0.025 1
376 . 46 SER CB C 63.935 0.000 1
377 . 46 SER C C 173.108 0.000 1
378 . 47 GLY N N 107.370 0.141 1
379 . 47 GLY H H 7.594 0.013 1
380 . 47 GLY CA C 45.628 0.040 1
381 . 47 GLY HA2 H 4.608 0.000 1
382 . 47 GLY HA3 H 3.728 0.000 1
383 . 47 GLY C C 175.088 0.000 1
384 . 48 ALA N N 126.973 0.189 1
385 . 48 ALA H H 8.363 0.011 1
386 . 48 ALA CA C 52.277 0.037 1
387 . 48 ALA HA H 4.249 0.015 1
388 . 48 ALA HB H 0.934 0.004 1
389 . 48 ALA CB C 17.479 0.122 1
390 . 48 ALA C C 175.620 0.000 1
391 . 49 ARG N N 122.132 0.169 1
392 . 49 ARG H H 9.783 0.014 1
393 . 49 ARG CA C 55.404 0.048 1
394 . 49 ARG HA H 4.440 0.009 1
395 . 49 ARG CB C 33.139 0.029 1
396 . 49 ARG CG C 28.244 0.000 1
397 . 49 ARG CD C 43.853 0.000 1
398 . 49 ARG C C 178.216 0.000 1
399 . 50 GLU N N 126.406 0.081 1
400 . 50 GLU H H 9.196 0.011 1
401 . 50 GLU CA C 60.233 0.043 1
402 . 50 GLU HA H 4.094 0.014 1
403 . 50 GLU CB C 28.817 0.136 1
404 . 50 GLU HB2 H 2.177 0.000 2
405 . 50 GLU HB3 H 2.108 0.000 2
406 . 50 GLU CG C 35.643 0.000 1
407 . 50 GLU HG2 H 2.461 0.004 1
408 . 50 GLU HG3 H 2.398 0.004 1
409 . 50 GLU C C 178.173 0.000 1
410 . 51 SER N N 113.671 0.165 1
411 . 51 SER H H 8.855 0.014 1
412 . 51 SER CA C 60.659 0.198 1
413 . 51 SER HA H 4.334 0.023 1
414 . 51 SER CB C 61.401 0.000 1
415 . 51 SER C C 178.918 0.000 1
416 . 52 GLU N N 128.087 0.085 1
417 . 52 GLU H H 7.493 0.014 1
418 . 52 GLU CA C 58.871 0.052 1
419 . 52 GLU HA H 5.150 0.013 1
420 . 52 GLU CB C 29.782 0.000 1
421 . 52 GLU CG C 38.683 0.000 1
422 . 52 GLU C C 178.514 0.000 1
423 . 53 LYS N N 124.699 0.073 1
424 . 53 LYS H H 7.757 0.015 1
425 . 53 LYS CA C 59.906 0.048 1
426 . 53 LYS HA H 4.282 0.008 1
427 . 53 LYS CB C 32.772 0.032 1
428 . 53 LYS CG C 25.203 0.000 1
429 . 53 LYS CD C 29.967 0.000 1
430 . 53 LYS CE C 42.129 0.000 1
431 . 53 LYS C C 177.875 0.000 1
432 . 54 VAL N N 119.250 0.173 1
433 . 54 VAL H H 8.798 0.015 1
434 . 54 VAL CA C 66.694 0.040 1
435 . 54 VAL HA H 3.809 0.012 1
436 . 54 VAL CB C 31.732 0.059 1
437 . 54 VAL HB H 2.380 0.004 1
438 . 54 VAL HG1 H 1.264 0.004 2
439 . 54 VAL HG2 H 1.050 0.004 2
440 . 54 VAL CG1 C 22.973 0.000 2
441 . 54 VAL CG2 C 21.554 0.000 2
442 . 54 VAL C C 179.876 0.000 1
443 . 55 PHE N N 123.565 0.170 1
444 . 55 PHE H H 8.097 0.014 1
445 . 55 PHE CA C 62.941 0.043 1
446 . 55 PHE HA H 3.994 0.005 1
447 . 55 PHE CB C 38.389 0.092 1
448 . 55 PHE HB2 H 3.425 0.004 2
449 . 55 PHE HB3 H 3.104 0.004 2
450 . 55 PHE C C 174.449 0.000 1
451 . 56 ALA N N 122.830 0.161 1
452 . 56 ALA H H 8.542 0.014 1
453 . 56 ALA CA C 55.503 0.040 1
454 . 56 ALA HA H 3.847 0.012 1
455 . 56 ALA HB H 1.505 0.004 1
456 . 56 ALA CB C 17.946 0.162 1
457 . 56 ALA C C 178.897 0.000 1
458 . 57 GLN N N 114.659 0.197 1
459 . 57 GLN H H 9.105 0.014 1
460 . 57 GLN CA C 58.151 0.040 1
461 . 57 GLN HA H 3.882 0.011 1
462 . 57 GLN CB C 28.091 0.051 1
463 . 57 GLN CG C 34.528 0.000 1
464 . 57 GLN HG2 H 2.540 0.000 1
465 . 57 GLN HG3 H 2.481 0.000 1
466 . 57 GLN C C 178.939 0.000 1
467 . 58 THR N N 120.909 0.021 1
468 . 58 THR H H 8.318 0.013 1
469 . 58 THR CA C 67.259 0.043 1
470 . 58 THR HA H 3.921 0.037 1
471 . 58 THR CB C 68.054 0.000 1
472 . 58 THR HB H 4.277 0.095 1
473 . 58 THR HG2 H 1.170 0.000 1
474 . 58 THR CG2 C 20.845 0.000 1
475 . 58 THR C C 176.299 0.000 1
476 . 59 VAL N N 124.520 0.157 1
477 . 59 VAL H H 8.083 0.011 1
478 . 59 VAL CA C 68.296 0.043 1
479 . 59 VAL HA H 3.344 0.013 1
480 . 59 VAL CB C 34.021 0.000 1
481 . 59 VAL HB H 1.886 0.008 1
482 . 59 VAL CG1 C 28.345 0.000 2
483 . 59 VAL CG2 C 26.926 0.000 2
484 . 59 VAL HG1 H 1.042 0.014 1
485 . 59 VAL HG2 H 1.042 0.014 1
486 . 59 VAL C C 177.726 0.000 1
487 . 60 LEU N N 119.159 0.111 1
488 . 60 LEU H H 8.121 0.014 1
489 . 60 LEU CA C 57.986 0.044 1
490 . 60 LEU HA H 3.935 0.016 1
491 . 60 LEU CB C 41.662 0.163 1
492 . 60 LEU HB2 H 2.023 0.004 2
493 . 60 LEU HB3 H 1.430 0.004 2
494 . 60 LEU CG C 26.318 0.000 1
495 . 60 LEU HG H 1.614 0.004 1
496 . 60 LEU HD1 H 1.029 0.000 2
497 . 60 LEU HD2 H 0.734 0.000 2
498 . 60 LEU CD1 C 23.378 0.000 2
499 . 60 LEU C C 178.237 0.000 1
500 . 61 SER N N 114.667 0.204 1
501 . 61 SER H H 8.042 0.015 1
502 . 61 SER CA C 61.606 0.040 1
503 . 61 SER HA H 4.184 0.017 1
504 . 61 SER CB C 62.439 0.000 1
505 . 61 SER C C 176.237 0.000 1
506 . 62 HIS N N 119.737 0.175 1
507 . 62 HIS H H 7.584 0.014 1
508 . 62 HIS CA C 58.842 0.040 1
509 . 62 HIS HA H 4.607 0.014 1
510 . 62 HIS CB C 31.316 0.070 1
511 . 62 HIS HB2 H 3.148 0.004 2
512 . 62 HIS HB3 H 3.014 0.004 2
513 . 62 HIS C C 175.939 0.000 1
514 . 63 VAL N N 111.956 0.161 1
515 . 63 VAL H H 7.718 0.015 1
516 . 63 VAL CA C 60.104 0.046 1
517 . 63 VAL HA H 4.704 0.012 1
518 . 63 VAL CB C 31.782 0.110 1
519 . 63 VAL HB H 2.470 0.004 1
520 . 63 VAL HG1 H 1.148 0.004 2
521 . 63 VAL HG2 H 0.969 0.004 2
522 . 63 VAL CG1 C 22.365 0.000 2
523 . 63 VAL CG2 C 21.149 0.000 2
524 . 63 VAL C C 175.258 0.000 1
525 . 64 ALA N N 128.523 0.124 1
526 . 64 ALA H H 7.509 0.017 1
527 . 64 ALA CA C 54.376 0.046 1
528 . 64 ALA HA H 4.364 0.007 1
529 . 64 ALA HB H 1.469 0.004 1
530 . 64 ALA CB C 18.002 0.005 1
531 . 64 ALA C C 177.897 0.000 1
532 . 65 ASN N N 115.604 0.161 1
533 . 65 ASN H H 8.948 0.013 1
534 . 65 ASN CA C 53.911 0.048 1
535 . 65 ASN HA H 4.475 0.014 1
536 . 65 ASN CB C 38.236 0.060 1
537 . 65 ASN HB2 H 2.916 0.004 2
538 . 65 ASN HB3 H 2.988 0.004 2
539 . 65 ASN C C 173.577 0.000 1
540 . 66 VAL N N 122.169 0.183 1
541 . 66 VAL H H 7.613 0.016 1
542 . 66 VAL CA C 61.767 0.042 1
543 . 66 VAL HA H 4.106 0.011 1
544 . 66 VAL CB C 32.666 0.139 1
545 . 66 VAL HB H 2.095 0.004 1
546 . 66 VAL HG1 H 1.032 0.004 2
547 . 66 VAL HG2 H 0.782 0.004 2
548 . 66 VAL CG1 C 22.669 0.000 2
549 . 66 VAL CG2 C 20.845 0.000 2
550 . 66 VAL C C 174.023 0.000 1
551 . 67 VAL N N 127.845 0.119 1
552 . 67 VAL H H 8.298 0.014 1
553 . 67 VAL CA C 63.523 0.042 1
554 . 67 VAL HA H 3.936 0.016 1
555 . 67 VAL CB C 31.732 0.059 1
556 . 67 VAL HB H 1.978 0.004 1
557 . 67 VAL HG1 H 0.934 0.004 2
558 . 67 VAL HG2 H 0.809 0.004 2
559 . 67 VAL CG1 C 21.757 0.000 2
560 . 67 VAL CG2 C 19.610 0.000 2
561 . 67 VAL C C 174.236 0.000 1
562 . 68 LEU N N 130.018 0.081 1
563 . 68 LEU H H 9.367 0.015 1
564 . 68 LEU CA C 52.750 0.043 1
565 . 68 LEU HA H 4.835 0.017 1
566 . 68 LEU CB C 42.084 0.056 1
567 . 68 LEU HB2 H 1.931 0.000 2
568 . 68 LEU HB3 H 1.007 0.000 2
569 . 68 LEU CG C 26.521 0.000 1
570 . 68 LEU CD1 C 22.872 0.000 2
571 . 68 LEU HD1 H 0.627 0.000 1
572 . 68 LEU HD2 H 0.627 0.000 1
573 . 68 LEU C C 176.811 0.000 1
574 . 69 THR N N 115.616 0.166 1
575 . 69 THR H H 9.323 0.013 1
576 . 69 THR CA C 60.347 0.042 1
577 . 69 THR HA H 4.981 0.013 1
578 . 69 THR CB C 71.928 0.000 1
579 . 69 THR HB H 4.847 0.000 1
580 . 69 THR CG2 C 21.554 0.000 1
581 . 69 THR C C 175.875 0.000 1
582 . 70 GLN N N 121.617 0.059 1
583 . 70 GLN H H 8.964 0.012 1
584 . 70 GLN CA C 58.951 0.050 1
585 . 70 GLN HA H 4.129 0.024 1
586 . 70 GLN CB C 28.193 0.152 1
587 . 70 GLN CG C 33.920 0.000 1
588 . 70 GLN C C 177.833 0.000 1
589 . 71 GLU N N 119.924 0.051 1
590 . 71 GLU H H 8.121 0.016 1
591 . 71 GLU CA C 59.524 0.041 1
592 . 71 GLU HA H 4.088 0.012 1
593 . 71 GLU CB C 29.493 0.170 1
594 . 71 GLU HB2 H 2.000 0.000 2
595 . 71 GLU HB3 H 1.931 0.000 2
596 . 71 GLU CG C 36.859 0.000 1
597 . 71 GLU C C 178.280 0.000 1
598 . 72 ASP N N 121.220 0.199 1
599 . 72 ASP H H 7.637 0.017 1
600 . 72 ASP CA C 57.719 0.040 1
601 . 72 ASP HA H 4.234 0.010 1
602 . 72 ASP CB C 42.023 0.004 1
603 . 72 ASP HB2 H 3.104 0.004 2
604 . 72 ASP HB3 H 2.282 0.004 2
605 . 72 ASP C C 178.003 0.000 1
606 . 73 THR N N 111.730 0.159 1
607 . 73 THR H H 8.652 0.013 1
608 . 73 THR CA C 66.140 0.042 1
609 . 73 THR HA H 3.670 0.014 1
610 . 73 THR CB C 67.077 0.004 1
611 . 73 THR HB H 4.221 0.000 1
612 . 73 THR HG2 H 1.115 0.000 1
613 . 73 THR CG2 C 22.973 0.000 1
614 . 73 THR C C 176.535 0.000 1
615 . 74 ALA N N 126.411 0.089 1
616 . 74 ALA H H 8.275 0.014 1
617 . 74 ALA CA C 55.265 0.045 1
618 . 74 ALA HA H 4.167 0.012 1
619 . 74 ALA HB H 1.550 0.004 1
620 . 74 ALA CB C 17.688 0.117 1
621 . 74 ALA C C 180.365 0.000 1
622 . 75 LYS N N 119.210 0.147 1
623 . 75 LYS H H 7.540 0.014 1
624 . 75 LYS CA C 59.527 0.069 1
625 . 75 LYS HA H 4.026 0.068 1
626 . 75 LYS CB C 32.831 0.074 1
627 . 75 LYS CG C 26.115 0.000 1
628 . 75 LYS CD C 30.068 0.000 1
629 . 75 LYS CE C 42.332 0.000 1
630 . 75 LYS C C 179.493 0.000 1
631 . 76 LEU N N 121.541 0.187 1
632 . 76 LEU H H 7.757 0.012 1
633 . 76 LEU CA C 57.485 0.055 1
634 . 76 LEU HA H 4.190 0.025 1
635 . 76 LEU CB C 41.116 0.000 1
636 . 76 LEU HB2 H 1.793 0.000 2
637 . 76 LEU HB3 H 1.577 0.000 2
638 . 76 LEU CG C 24.088 0.000 1
639 . 76 LEU HG H 1.540 0.000 1
640 . 76 LEU HD1 H 0.895 0.000 2
641 . 76 LEU CD1 C 21.757 0.000 2
642 . 76 LEU C C 178.344 0.000 1
643 . 77 LEU N N 120.301 0.205 1
644 . 77 LEU H H 8.424 0.020 1
645 . 77 LEU CA C 57.225 0.052 1
646 . 77 LEU HA H 4.174 0.042 1
647 . 77 LEU CB C 41.095 0.021 1
648 . 77 LEU CG C 27.027 0.000 1
649 . 77 LEU HG H 1.746 0.004 1
650 . 77 LEU CD1 C 23.987 0.000 2
651 . 77 LEU HD1 H 0.920 0.000 1
652 . 77 LEU HD2 H 0.920 0.000 1
653 . 77 LEU C C 178.705 0.000 1
654 . 78 GLN N N 119.469 0.168 1
655 . 78 GLN H H 7.833 0.016 1
656 . 78 GLN CA C 58.552 0.040 1
657 . 78 GLN HA H 4.157 0.014 1
658 . 78 GLN CB C 28.091 0.051 1
659 . 78 GLN HB2 H 2.284 0.000 2
660 . 78 GLN HB3 H 2.178 0.000 2
661 . 78 GLN CG C 33.920 0.000 1
662 . 78 GLN HG2 H 2.621 0.004 1
663 . 78 GLN HG3 H 2.505 0.004 1
664 . 78 GLN C C 177.854 0.000 1
665 . 79 SER N N 116.309 0.155 1
666 . 79 SER H H 7.748 0.017 1
667 . 79 SER CA C 60.427 0.045 1
668 . 79 SER HA H 4.332 0.007 1
669 . 79 SER CB C 62.880 0.000 1
670 . 80 THR N N 122.253 0.000 1
671 . 80 THR H H 7.953 0.006 1
672 . 80 THR CA C 64.652 0.061 1
673 . 80 THR HA H 4.439 0.005 1
674 . 80 THR HB H 4.570 0.000 1
675 . 80 THR C C 176.152 0.000 1
676 . 81 VAL N N 122.358 0.027 1
677 . 81 VAL H H 7.963 0.008 1
678 . 81 VAL CA C 65.228 0.002 1
679 . 81 VAL HA H 3.859 0.010 1
680 . 81 VAL CB C 31.638 0.000 1
681 . 81 VAL HB H 2.154 0.000 1
682 . 81 VAL HG1 H 1.067 0.000 2
683 . 81 VAL HG2 H 0.967 0.000 2
684 . 81 VAL CG1 C 21.910 0.000 2
685 . 82 LYS CA C 55.688 0.062 1
686 . 82 LYS HA H 4.645 0.001 1
687 . 82 LYS CB C 29.618 0.045 1
688 . 82 LYS CG C 26.014 0.000 1
689 . 82 LYS CD C 27.129 0.000 1
690 . 82 LYS C C 173.257 0.000 1
691 . 83 HIS N N 126.511 0.106 1
692 . 83 HIS H H 8.305 0.009 1
693 . 83 HIS CA C 57.080 0.063 1
694 . 83 HIS HA H 4.454 0.008 1
695 . 83 HIS CB C 29.311 0.000 1
696 . 83 HIS HB2 H 3.258 0.000 2
697 . 83 HIS HB3 H 3.120 0.000 2
698 . 87 ASN CA C 52.371 0.036 1
699 . 87 ASN HA H 4.844 0.004 1
700 . 87 ASN CB C 36.645 0.000 1
701 . 87 ASN HB2 H 3.012 0.000 2
702 . 87 ASN HB3 H 2.815 0.000 2
703 . 87 ASN C C 174.492 0.000 1
704 . 88 TYR N N 117.054 0.163 1
705 . 88 TYR H H 7.771 0.012 1
706 . 88 TYR CA C 57.986 0.044 1
707 . 88 TYR HA H 4.804 0.008 1
708 . 88 TYR CB C 40.628 0.018 1
709 . 88 TYR C C 173.002 0.000 1
710 . 89 ASP N N 124.704 0.075 1
711 . 89 ASP H H 8.214 0.015 1
712 . 89 ASP CA C 53.432 0.061 1
713 . 89 ASP HA H 4.915 0.012 1
714 . 89 ASP CB C 40.285 0.104 1
715 . 89 ASP HB2 H 2.880 0.004 2
716 . 89 ASP HB3 H 2.362 0.004 2
717 . 89 ASP C C 173.513 0.000 1
718 . 90 LEU N N 125.960 0.116 1
719 . 90 LEU H H 8.123 0.012 1
720 . 90 LEU CA C 53.323 0.101 1
721 . 90 LEU HA H 5.176 0.004 1
722 . 90 LEU CB C 44.420 0.142 1
723 . 90 LEU HB2 H 1.859 0.000 2
724 . 90 LEU HB3 H 1.270 0.000 2
725 . 90 LEU CG C 27.129 0.000 1
726 . 90 LEU HG H 1.583 0.004 1
727 . 90 LEU HD1 H 0.922 0.000 2
728 . 90 LEU HD2 H 0.690 0.000 2
729 . 90 LEU CD1 C 25.912 0.000 2
730 . 90 LEU CD2 C 24.696 0.000 2
731 . 90 LEU C C 176.109 0.000 1
732 . 91 ARG N N 123.831 0.174 1
733 . 91 ARG H H 9.303 0.014 1
734 . 91 ARG CA C 53.638 0.049 1
735 . 91 ARG HA H 4.768 0.037 1
736 . 91 ARG CB C 32.458 0.145 1
737 . 91 ARG CG C 27.027 0.000 1
738 . 91 ARG CD C 43.042 0.000 1
739 . 91 ARG C C 175.002 0.000 1
740 . 92 SER N N 121.017 0.177 1
741 . 92 SER H H 8.858 0.012 1
742 . 92 SER CA C 58.756 0.040 1
743 . 92 SER HA H 4.719 0.018 1
744 . 92 SER CB C 63.507 0.000 1
745 . 92 SER C C 178.982 0.000 1
746 . 93 VAL N N 120.457 0.079 1
747 . 93 VAL H H 8.282 0.014 1
748 . 93 VAL CA C 60.466 0.044 1
749 . 93 VAL HA H 4.681 0.023 1
750 . 93 VAL CB C 31.598 0.092 1
751 . 93 VAL HB H 2.514 0.004 1
752 . 93 VAL HG1 H 0.916 0.004 2
753 . 93 VAL HG2 H 0.728 0.004 2
754 . 93 VAL CG1 C 21.858 0.000 2
755 . 93 VAL CG2 C 19.121 0.000 2
756 . 93 VAL C C 175.215 0.000 1
757 . 94 GLY N N 111.267 0.163 1
758 . 94 GLY H H 7.846 0.018 1
759 . 94 GLY CA C 44.539 0.045 1
760 . 94 GLY HA2 H 4.443 0.000 1
761 . 94 GLY HA3 H 3.742 0.000 1
762 . 94 GLY C C 173.470 0.000 1
763 . 95 ASN N N 116.850 0.179 1
764 . 95 ASN H H 8.949 0.008 1
765 . 95 ASN CA C 54.316 0.050 1
766 . 95 ASN HA H 4.391 0.012 1
767 . 95 ASN CB C 37.510 0.144 1
768 . 95 ASN HB2 H 3.045 0.005 2
769 . 95 ASN HB3 H 2.855 0.004 2
770 . 95 ASN C C 173.896 0.000 1
771 . 96 GLY N N 105.926 0.149 1
772 . 96 GLY H H 8.420 0.014 1
773 . 96 GLY CA C 45.334 0.050 1
774 . 96 GLY HA2 H 4.221 0.000 1
775 . 96 GLY HA3 H 3.637 0.000 1
776 . 96 GLY C C 173.321 0.000 1
777 . 97 ASN N N 119.711 0.180 1
778 . 97 ASN H H 7.850 0.008 1
779 . 97 ASN CA C 52.351 0.043 1
780 . 97 ASN HA H 5.334 0.015 1
781 . 97 ASN CB C 40.470 0.038 1
782 . 97 ASN HB2 H 2.866 0.004 2
783 . 97 ASN HB3 H 2.619 0.007 2
784 . 97 ASN C C 176.258 0.000 1
785 . 98 SER N N 118.259 0.193 1
786 . 98 SER H H 9.344 0.016 1
787 . 98 SER CA C 58.177 0.049 1
788 . 98 SER HA H 5.680 0.010 1
789 . 98 SER CB C 67.781 0.000 1
790 . 98 SER HB2 H 3.730 0.000 2
791 . 98 SER HB3 H 3.376 0.000 2
792 . 98 SER C C 170.342 0.000 1
793 . 99 VAL N N 116.681 0.298 1
794 . 99 VAL H H 8.868 0.009 1
795 . 99 VAL CA C 60.056 0.040 1
796 . 99 VAL HA H 4.624 0.014 1
797 . 99 VAL CB C 35.581 0.062 1
798 . 99 VAL HB H 2.007 0.013 1
799 . 99 VAL HG1 H 1.051 0.016 2
800 . 99 VAL HG2 H 0.877 0.009 2
801 . 99 VAL CG1 C 21.554 0.000 2
802 . 99 VAL CG2 C 19.932 0.000 2
803 . 99 VAL C C 173.811 0.000 1
804 . 100 LEU N N 128.479 0.192 1
805 . 100 LEU H H 9.954 0.010 1
806 . 100 LEU CA C 54.496 0.040 1
807 . 100 LEU HA H 4.631 0.023 1
808 . 100 LEU CB C 42.029 0.101 1
809 . 100 LEU CG C 27.331 0.000 1
810 . 100 LEU HG H 1.327 0.004 1
811 . 100 LEU HD1 H 1.091 0.000 2
812 . 100 LEU HD2 H 0.824 0.000 2
813 . 100 LEU CD1 C 25.608 0.000 2
814 . 100 LEU C C 174.768 0.000 1
815 . 101 VAL N N 125.211 0.055 1
816 . 101 VAL H H 8.705 0.014 1
817 . 101 VAL CA C 63.353 0.041 1
818 . 101 VAL HA H 4.188 0.010 1
819 . 101 VAL CB C 33.032 0.078 1
820 . 101 VAL HB H 2.139 0.004 1
821 . 101 VAL CG1 C 21.047 0.000 2
822 . 101 VAL HG1 H 0.952 0.004 1
823 . 101 VAL HG2 H 0.952 0.004 1
824 . 101 VAL C C 175.939 0.000 1
825 . 102 SER N N 111.263 0.198 1
826 . 102 SER H H 7.593 0.014 1
827 . 102 SER CA C 57.727 0.061 1
828 . 102 SER HA H 4.551 0.009 1
829 . 102 SER CB C 64.604 0.028 1
830 . 102 SER C C 171.193 0.000 1
831 . 103 LEU N N 120.179 0.051 1
832 . 103 LEU H H 8.670 0.011 1
833 . 103 LEU CA C 52.569 0.043 1
834 . 103 LEU HA H 5.271 0.009 1
835 . 103 LEU CB C 45.101 0.032 1
836 . 103 LEU HB2 H 1.919 0.000 2
837 . 103 LEU HB3 H 1.821 0.000 2
838 . 103 LEU CG C 27.230 0.000 1
839 . 103 LEU HG H 1.851 0.004 1
840 . 103 LEU CD1 C 24.695 0.000 2
841 . 103 LEU CD2 C 21.757 0.000 1
842 . 103 LEU HD1 H 0.996 0.000 1
843 . 103 LEU HD2 H 0.996 0.000 1
844 . 103 LEU C C 176.939 0.000 1
845 . 104 ARG N N 118.744 0.167 1
846 . 104 ARG H H 8.118 0.015 1
847 . 104 ARG CA C 55.529 0.043 1
848 . 104 ARG HA H 4.411 0.008 1
849 . 104 ARG CB C 29.732 0.032 1
850 . 104 ARG CG C 28.345 0.000 1
851 . 104 ARG HG2 H 1.410 0.000 1
852 . 104 ARG HG3 H 1.292 0.000 1
853 . 104 ARG CD C 42.940 0.000 1
854 . 104 ARG HD2 H 3.217 0.000 1
855 . 104 ARG HD3 H 3.074 0.000 1
856 . 104 ARG C C 174.236 0.000 1
857 . 105 SER N N 115.666 0.169 1
858 . 105 SER H H 7.664 0.015 1
859 . 105 SER CA C 58.086 0.040 1
860 . 105 SER HA H 4.278 0.013 1
861 . 105 SER CB C 65.228 0.011 1
862 . 105 SER HB2 H 3.745 0.000 2
863 . 105 SER HB3 H 3.624 0.000 2
864 . 105 SER C C 171.470 0.000 1
865 . 106 ASP N N 117.584 0.172 1
866 . 106 ASP H H 8.343 0.013 1
867 . 106 ASP CA C 53.900 0.061 1
868 . 106 ASP HA H 5.141 0.007 1
869 . 106 ASP CB C 42.445 0.090 1
870 . 106 ASP HB2 H 3.023 0.004 2
871 . 106 ASP HB3 H 2.237 0.004 2
872 . 106 ASP C C 170.831 0.000 1
873 . 107 GLN N N 111.712 0.148 1
874 . 107 GLN H H 8.113 0.011 1
875 . 107 GLN CA C 54.135 0.081 1
876 . 107 GLN HA H 5.004 0.005 1
877 . 107 GLN CB C 36.159 0.000 1
878 . 107 GLN HB2 H 2.416 0.004 2
879 . 107 GLN HB3 H 2.327 0.004 2
880 . 107 GLN CG C 34.629 0.000 1
881 . 107 GLN HG2 H 2.148 0.004 1
882 . 107 GLN HG3 H 2.068 0.004 1
883 . 107 GLN C C 174.407 0.000 1
884 . 108 MET N N 121.842 0.187 1
885 . 108 MET H H 9.524 0.012 1
886 . 108 MET CA C 54.803 0.041 1
887 . 108 MET HA H 4.771 0.020 1
888 . 108 MET CB C 38.177 0.000 1
889 . 108 MET HB2 H 2.186 0.000 2
890 . 108 MET HB3 H 1.941 0.000 2
891 . 108 MET CG C 30.879 0.000 1
892 . 108 MET HG2 H 3.104 0.004 1
893 . 108 MET HG3 H 2.818 0.004 1
894 . 108 MET C C 175.024 0.000 1
895 . 109 THR N N 118.024 0.174 1
896 . 109 THR H H 8.666 0.014 1
897 . 109 THR CA C 61.417 0.043 1
898 . 109 THR HA H 4.500 0.010 1
899 . 109 THR CB C 69.286 0.000 1
900 . 109 THR HB H 4.480 0.000 1
901 . 109 THR C C 175.151 0.000 1
902 . 110 LEU N N 123.953 0.112 1
903 . 110 LEU H H 8.689 0.013 1
904 . 110 LEU CA C 58.335 0.040 1
905 . 110 LEU HA H 3.976 0.026 1
906 . 110 LEU CB C 42.122 0.007 1
907 . 110 LEU CG C 27.129 0.000 1
908 . 110 LEU HG H 1.461 0.004 1
909 . 110 LEU CD1 C 25.304 0.000 2
910 . 110 LEU HD1 H 0.716 0.000 1
911 . 110 LEU HD2 H 0.716 0.000 1
912 . 110 LEU C C 177.811 0.000 1
913 . 111 GLN N N 118.710 0.049 1
914 . 111 GLN H H 9.337 0.012 1
915 . 111 GLN CA C 58.794 0.045 1
916 . 111 GLN HA H 3.963 0.011 1
917 . 111 GLN CB C 28.142 0.102 1
918 . 111 GLN HB2 H 2.108 0.000 2
919 . 111 GLN HB3 H 1.960 0.000 2
920 . 111 GLN CG C 33.311 0.000 1
921 . 111 GLN HG2 H 2.330 0.000 1
922 . 111 GLN HG3 H 2.470 0.000 1
923 . 111 GLN C C 177.045 0.000 1
924 . 112 ASP N N 122.347 0.161 1
925 . 112 ASP H H 7.464 0.016 1
926 . 112 ASP CA C 56.922 0.063 1
927 . 112 ASP HA H 4.148 0.016 1
928 . 112 ASP CB C 38.647 0.138 1
929 . 112 ASP HB2 H 2.788 0.004 2
930 . 112 ASP HB3 H 2.689 0.004 2
931 . 112 ASP C C 177.620 0.000 1
932 . 113 ALA N N 121.461 0.162 1
933 . 113 ALA H H 8.314 0.015 1
934 . 113 ALA CA C 55.013 0.054 1
935 . 113 ALA HA H 4.111 0.012 1
936 . 113 ALA HB H 1.755 0.004 1
937 . 113 ALA CB C 19.978 0.057 1
938 . 113 ALA C C 178.322 0.000 1
939 . 114 LYS N N 119.756 0.174 1
940 . 114 LYS H H 8.392 0.014 1
941 . 114 LYS CA C 61.463 0.040 1
942 . 114 LYS HA H 3.698 0.013 1
943 . 114 LYS CB C 33.240 0.072 1
944 . 114 LYS HB2 H 2.243 0.000 2
945 . 114 LYS HB3 H 1.712 0.000 2
946 . 114 LYS CG C 25.406 0.000 1
947 . 114 LYS HG2 H 1.200 0.000 2
948 . 114 LYS HG3 H 0.900 0.000 2
949 . 114 LYS CD C 31.082 0.000 1
950 . 114 LYS HD2 H 1.783 0.000 2
951 . 114 LYS HD3 H 1.526 0.000 2
952 . 114 LYS CE C 41.521 0.000 1
953 . 114 LYS HE2 H 3.235 0.000 2
954 . 114 LYS HE3 H 3.119 0.000 2
955 . 114 LYS C C 176.755 0.000 1
956 . 115 VAL N N 118.253 0.154 1
957 . 115 VAL H H 7.324 0.017 1
958 . 115 VAL CA C 66.002 0.091 1
959 . 115 VAL HA H 3.671 0.011 1
960 . 115 VAL CB C 32.097 0.002 1
961 . 115 VAL HB H 2.345 0.004 1
962 . 115 VAL CG1 C 23.074 0.000 2
963 . 115 VAL CG2 C 21.047 0.000 2
964 . 115 VAL HG1 H 1.184 0.004 1
965 . 115 VAL HG2 H 1.184 0.004 1
966 . 115 VAL C C 178.854 0.000 1
967 . 116 LEU N N 121.148 0.158 1
968 . 116 LEU H H 7.941 0.016 1
969 . 116 LEU CA C 57.823 0.046 1
970 . 116 LEU HA H 3.855 0.023 1
971 . 116 LEU CB C 41.404 0.117 1
972 . 116 LEU HB2 H 1.907 0.004 2
973 . 116 LEU HB3 H 1.818 0.004 2
974 . 116 LEU CG C 26.825 0.000 1
975 . 116 LEU HG H 1.282 0.004 1
976 . 116 LEU CD1 C 25.304 0.000 2
977 . 116 LEU CD2 C 23.581 0.000 2
978 . 116 LEU HD1 H 0.761 0.000 1
979 . 116 LEU HD2 H 0.761 0.000 1
980 . 116 LEU C C 177.599 0.000 1
981 . 117 LEU N N 117.764 0.021 1
982 . 117 LEU H H 9.148 0.015 1
983 . 117 LEU CA C 57.183 0.043 1
984 . 117 LEU HA H 3.939 0.013 1
985 . 117 LEU CB C 41.612 0.112 1
986 . 117 LEU CG C 26.419 0.000 1
987 . 117 LEU HG H 2.041 0.004 1
988 . 117 LEU HD1 H 1.306 0.000 2
989 . 117 LEU HD2 H 0.779 0.000 2
990 . 117 LEU CD1 C 25.811 0.000 2
991 . 117 LEU CD2 C 22.365 0.000 2
992 . 117 LEU C C 178.727 0.000 1
993 . 118 GLU N N 119.072 0.175 1
994 . 118 GLU H H 8.364 0.018 1
995 . 118 GLU CA C 59.930 0.050 1
996 . 118 GLU HA H 3.708 0.009 1
997 . 118 GLU CB C 27.826 0.000 1
998 . 118 GLU CG C 38.683 0.000 1
999 . 118 GLU C C 178.684 0.000 1
1000 . 119 ALA N N 125.443 0.073 1
1001 . 119 ALA H H 7.710 0.016 1
1002 . 119 ALA CA C 55.182 0.058 1
1003 . 119 ALA HA H 4.176 0.009 1
1004 . 119 ALA HB H 1.496 0.004 1
1005 . 119 ALA CB C 17.637 0.066 1
1006 . 119 ALA C C 179.471 0.000 1
1007 . 120 ALA N N 122.247 0.130 1
1008 . 120 ALA H H 7.760 0.016 1
1009 . 120 ALA CA C 55.025 0.068 1
1010 . 120 ALA HA H 4.152 0.018 1
1011 . 120 ALA HB H 1.630 0.004 1
1012 . 120 ALA CB C 18.469 0.044 1
1013 . 120 ALA C C 179.748 0.000 1
1014 . 121 LEU N N 121.684 0.174 1
1015 . 121 LEU H H 8.486 0.014 1
1016 . 121 LEU CA C 57.587 0.043 1
1017 . 121 LEU HA H 3.927 0.009 1
1018 . 121 LEU CB C 42.029 0.101 1
1019 . 121 LEU HB2 H 1.657 0.000 2
1020 . 121 LEU HB3 H 1.390 0.000 2
1021 . 121 LEU CG C 27.027 0.000 1
1022 . 121 LEU HG H 1.407 0.004 1
1023 . 121 LEU HD1 H 0.752 0.000 2
1024 . 121 LEU HD2 H 0.350 0.000 2
1025 . 121 LEU CD1 C 25.102 0.000 2
1026 . 121 LEU CD2 C 23.480 0.000 2
1027 . 121 LEU C C 178.535 0.000 1
1028 . 122 ARG N N 121.579 0.057 1
1029 . 122 ARG H H 7.879 0.015 1
1030 . 122 ARG CA C 58.876 0.048 1
1031 . 122 ARG HA H 4.076 0.012 1
1032 . 122 ARG CB C 30.015 0.053 1
1033 . 122 ARG CG C 27.534 0.000 1
1034 . 122 ARG HG2 H 1.784 0.000 1
1035 . 122 ARG HG3 H 1.557 0.000 1
1036 . 122 ARG CD C 43.548 0.000 1
1037 . 122 ARG C C 177.854 0.000 1
1038 . 123 GLN N N 119.223 0.166 1
1039 . 123 GLN H H 7.737 0.015 1
1040 . 123 GLN CA C 57.653 0.041 1
1041 . 123 GLN HA H 4.256 0.013 1
1042 . 123 GLN CB C 29.025 0.131 1
1043 . 123 GLN CG C 34.426 0.000 1
1044 . 123 GLN HG2 H 2.523 0.000 1
1045 . 123 GLN HG3 H 2.452 0.000 1
1046 . 123 GLN C C 176.769 0.000 1
1047 . 124 GLU N N 120.721 0.180 1
1048 . 124 GLU H H 8.031 0.014 1
1049 . 124 GLU CA C 57.884 0.086 1
1050 . 124 GLU HA H 4.272 0.009 1
1051 . 124 GLU CB C 29.858 0.109 1
1052 . 124 GLU HB2 H 2.203 0.000 2
1053 . 124 GLU HB3 H 2.108 0.000 2
1054 . 124 GLU CG C 35.632 0.000 1
1055 . 124 GLU HG2 H 2.364 0.000 1
1056 . 124 GLU HG3 H 2.304 0.000 1
1057 . 124 GLU C C 177.002 0.000 1
1058 . 125 SER N N 115.917 0.165 1
1059 . 125 SER H H 8.168 0.014 1
1060 . 125 SER CA C 59.550 0.042 1
1061 . 125 SER HA H 4.390 0.008 1
1062 . 125 SER CB C 63.511 0.004 1
1063 . 125 SER HB2 H 4.810 0.008 2
1064 . 125 SER HB3 H 4.675 0.005 2
1065 . 125 SER C C 175.258 0.000 1
1066 . 126 GLY N N 111.032 0.163 1
1067 . 126 GLY H H 8.184 0.019 1
1068 . 126 GLY CA C 45.616 0.042 1
1069 . 126 GLY C C 173.874 0.000 1
1070 . 127 ALA N N 124.055 1.237 1
1071 . 127 ALA H H 8.079 0.059 1
1072 . 127 ALA CA C 52.829 0.040 1
1073 . 127 ALA HA H 4.355 0.017 1
1074 . 127 ALA HB H 1.462 0.004 1
1075 . 127 ALA CB C 18.864 0.016 1
1076 . 127 ALA C C 177.556 0.000 1
1077 . 128 ARG N N 120.483 0.179 1
1078 . 128 ARG H H 8.250 0.017 1
1079 . 128 ARG CA C 56.533 0.040 1
1080 . 128 ARG HA H 4.321 0.017 1
1081 . 128 ARG CB C 30.533 0.143 1
1082 . 128 ARG CG C 27.230 0.000 1
1083 . 128 ARG CD C 43.548 0.000 1
1084 . 128 ARG C C 176.577 0.000 1
1085 . 129 GLY N N 110.290 0.157 1
1086 . 129 GLY H H 8.374 0.013 1
1087 . 129 GLY CA C 45.303 0.038 1
1088 . 129 GLY C C 173.683 0.000 1
1089 . 130 SER N N 116.388 0.181 1
1090 . 130 SER H H 8.185 0.013 1
1091 . 130 SER CA C 58.323 0.053 1
1092 . 130 SER HA H 4.391 0.004 1
1093 . 130 SER CB C 63.701 0.000 1
stop_
save_