data_17312
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Tah1 complexed by MEEVD
;
_BMRB_accession_number 17312
_BMRB_flat_file_name bmr17312.str
_Entry_type original
_Submission_date 2010-11-22
_Accession_date 2010-11-22
_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 Jimenez Beatriz . .
2 Ugwu Francisca . .
3 Zhao Rongmin . .
4 Orti Leticia . .
5 Houry Walid A. .
6 Pineda-Lucena Antonio . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 2
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 699
"13C chemical shifts" 535
"15N chemical shifts" 117
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2014-05-14 update BMRB 'update entry citation'
2012-01-04 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Structure of minimal tetratricopeptide repeat domain protein Tah1 reveals mechanism of its interaction with Pih1 and Hsp90.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 22179618
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Jimenez Beatriz . .
2 Ugwu Francisca . .
3 Zhao Rongmin . .
4 Orti Leticia . .
5 Makhnevych Taras . .
6 Pineda-Lucena Antonio . .
7 Houry Walid A. .
stop_
_Journal_abbreviation 'J. Biol. Chem.'
_Journal_name_full 'The Journal of biological chemistry'
_Journal_volume 287
_Journal_issue 8
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 5698
_Page_last 5709
_Year 2012
_Details .
save_
#######################################
# Cited references within the entry #
#######################################
save_citation_2
_Saveframe_category citation
_Citation_full .
_Citation_title 'NMR Assignment of Tah1 protein bound to C-terminus of Hsp90'
_Citation_status 'in preparation'
_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 Jimenez Beatriz . .
2 Pantoja-Uceda David . .
3 Hawkins Cheryl . .
4 Orti Leticia . .
5 Zhao Rongmin . .
6 Houry Walid A. .
7 Pineda-Lucena Antonio . .
stop_
_Journal_abbreviation 'Biomol. NMR Assignments'
_Journal_name_full .
_Journal_volume .
_Journal_issue .
_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 .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Tah1 complex with C-terminus of Hsp90 (MEEVD)'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'molecule 1' $Tah1
'molecule 2' $MEEVD
stop_
_System_molecular_weight 13230.7
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details 'Tah1, a tetratricopeptide repeat protein, complex with the acetilated penta-peptide MEEVD that corresponds to the C-Terminus of Hsp90'
save_
########################
# Monomeric polymers #
########################
save_Tah1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Tah1
_Molecular_mass 12567
_Mol_thiol_state 'all free'
loop_
_Biological_function
'Hsp90 Co-factor'
'Pih1 Co-factor'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 111
_Mol_residue_sequence
;
MSQFEKQKEQGNSLFKQGLY
REAVHCYDQLITAQPQNPVG
YSNKAMALIKLGEYTQAIQM
CQQGLRYTSTAEHVAIRSKL
QYRLELAQGAVGSVQIPVVE
VDELPEGYDRS
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 SER 3 GLN 4 PHE 5 GLU
6 LYS 7 GLN 8 LYS 9 GLU 10 GLN
11 GLY 12 ASN 13 SER 14 LEU 15 PHE
16 LYS 17 GLN 18 GLY 19 LEU 20 TYR
21 ARG 22 GLU 23 ALA 24 VAL 25 HIS
26 CYS 27 TYR 28 ASP 29 GLN 30 LEU
31 ILE 32 THR 33 ALA 34 GLN 35 PRO
36 GLN 37 ASN 38 PRO 39 VAL 40 GLY
41 TYR 42 SER 43 ASN 44 LYS 45 ALA
46 MET 47 ALA 48 LEU 49 ILE 50 LYS
51 LEU 52 GLY 53 GLU 54 TYR 55 THR
56 GLN 57 ALA 58 ILE 59 GLN 60 MET
61 CYS 62 GLN 63 GLN 64 GLY 65 LEU
66 ARG 67 TYR 68 THR 69 SER 70 THR
71 ALA 72 GLU 73 HIS 74 VAL 75 ALA
76 ILE 77 ARG 78 SER 79 LYS 80 LEU
81 GLN 82 TYR 83 ARG 84 LEU 85 GLU
86 LEU 87 ALA 88 GLN 89 GLY 90 ALA
91 VAL 92 GLY 93 SER 94 VAL 95 GLN
96 ILE 97 PRO 98 VAL 99 VAL 100 GLU
101 VAL 102 ASP 103 GLU 104 LEU 105 PRO
106 GLU 107 GLY 108 TYR 109 ASP 110 ARG
111 SER
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-08
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 18445 entity 99.10 110 100.00 100.00 9.39e-74
BMRB 18447 entity_1 99.10 110 100.00 100.00 9.39e-74
PDB 2L6J "Tah1 Complexed By Meevd" 100.00 111 100.00 100.00 1.06e-74
PDB 2LSU "The Nmr High Resolution Structure Of Yeast Tah1 In A Free Form" 99.10 110 100.00 100.00 9.39e-74
PDB 2LSV "The Nmr High Resolution Structure Of Yeast Tah1 In Complex With The Hsp90 C-terminal Tail" 99.10 110 100.00 100.00 9.39e-74
PDB 4CGQ "Full Length Tah1 Bound To Hsp90 Peptide Srmeevd" 99.10 111 98.18 98.18 1.40e-71
PDB 4CGU "Full Length Tah1 Bound To Yeast Pih1 And Hsp90 Peptide Srmeevd" 99.10 112 98.18 98.18 1.36e-71
DBJ GAA21965 "K7_Tah1p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 111 97.30 98.20 1.08e-72
EMBL CAA42288 "hypothetical protein [Saccharomyces cerevisiae]" 100.00 111 100.00 100.00 1.06e-74
EMBL CAY78265 "Tah1p [Saccharomyces cerevisiae EC1118]" 100.00 111 100.00 100.00 1.06e-74
GB AAS56477 "YCR060W [Saccharomyces cerevisiae]" 100.00 111 100.00 100.00 1.06e-74
GB AHN96120 "TAH1 [synthetic construct]" 100.00 111 100.00 100.00 1.06e-74
GB AHV79323 "TAH1 [synthetic construct]" 100.00 111 100.00 100.00 1.06e-74
GB AHY79733 "Tah1p [Saccharomyces cerevisiae YJM993]" 100.00 111 100.00 100.00 1.06e-74
GB AJP37484 "Tah1p [Saccharomyces cerevisiae YJM1078]" 100.00 111 100.00 100.00 1.06e-74
REF NP_009986 "Tah1p [Saccharomyces cerevisiae S288c]" 100.00 111 100.00 100.00 1.06e-74
SP P25638 "RecName: Full=TPR repeat-containing protein associated with Hsp90" 100.00 111 100.00 100.00 1.06e-74
TPG DAA07534 "TPA: Tah1p [Saccharomyces cerevisiae S288c]" 100.00 111 100.00 100.00 1.06e-74
stop_
save_
save_MEEVD
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common MEEVD
_Molecular_mass 12567
_Mol_thiol_state 'not present'
_Details .
_Residue_count 5
_Mol_residue_sequence MEEVD
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 720 MET 2 721 GLU 3 722 GLU 4 723 VAL 5 724 ASP
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Gene_mnemonic
$Tah1 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 'TAH1 YCR060W YCR60W'
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Variant
_Vector_name
$Tah1 'recombinant technology' . Escherichia coli 'BL21 (DE3)' gold pRIL
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Tah1 1 mM '[U-99% 15N]'
$MEEVD 2 mM 'natural abundance'
'sodium phosphate' 25 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Tah1 1 mM '[U-99% 13C; U-99% 15N]'
$MEEVD 2 mM 'natural abundance'
'sodium phosphate' 25 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Tah1 800 uM 'natural abundance'
$MEEVD 1.6 mM 'natural abundance'
'sodium phosphate' 25 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_sample_4
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Tah1 1 mM '[U-98% 13C; U-98% 15N]'
$MEEVD 2 mM 'natural abundance'
'sodium phosphate' 25 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
D2O 100 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CARA
_Saveframe_category software
_Name CARA
_Version 1.8.4
loop_
_Vendor
_Address
_Electronic_address
'Prof. Wuthrich Group' 'Prof. Kurt W thrich Institute of Molecular Biology and Biophysics ETH H nggerberg CH-8093 Z rich' .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version 1.3
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
processing
stop_
_Details .
save_
save_UNIO
_Saveframe_category software
_Name UNIO
_Version 1.0.4
loop_
_Vendor
_Address
_Electronic_address
'Torsten Herrmann Copyright 2002-2010'
;
Dr. Torsten Herrmann
Centre Europ en de RMN Tr s Hauts Champs
Universit de Lyon/FRE 3008 CNRS / ENS Lyon
5 rue de la Doua
69100 Villeurbanne, France
;
torsten.herrmann@ens-lyon.fr
stop_
loop_
_Task
'data analysis'
'peak picking'
'structure solution'
stop_
_Details 'UNIO integrates in the same interface MATCH, ATNOS/ASCAN and ATNOS/CANDID. Just ATNOS/CANDID has been used for this project'
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
refinement
'structure solution'
stop_
_Details .
save_
save_AMBER
_Saveframe_category software
_Name AMBER
_Version 10
loop_
_Vendor
_Address
_Electronic_address
'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm'
;
AMBER Software Administrator
CCB Graduate Program; MC 2280
University of California, San Francisco
600 16th St. Room 522
San Francisco, CA 94158-2517
Phone: (415) 502-6518
Fax: (415) 514-1546
;
;
amber-admin@biomaps.rutgers.edu
amber@ambermd.org
;
stop_
loop_
_Task
refinement
stop_
_Details 'The e-NMR GRID-enabled web portal Amber version has been used.'
save_
save_TALOS
_Saveframe_category software
_Name TALOS
_Version original
loop_
_Vendor
_Address
_Electronic_address
'Cornilescu, Delaglio and Bax'
;
Frank Delaglio, Ph.D. (CONTRACTOR)
Software Science Consultant.
Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD 20892-0520, USA
;
delaglio@nih.gov
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details 'It is equipped with a TCI cryo-probe'
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 900
_Details 'It is equipped with a TCI cryo-probe'
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_1
save_
save_2D_1H-1H_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H NOESY'
_Sample_label $sample_3
save_
save_3D_CBCA(CO)NH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_2
save_
save_3D_HNCO_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_2
save_
save_3D_HNCA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_2
save_
save_3D_HNCACB_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_2
save_
save_3D_HBHA(CO)NH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_2
save_
save_3D_H(CCO)NH_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $sample_2
save_
save_3D_HCCH-TOCSY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_4
save_
save_3D_1H-15N_NOESY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_aliphatic_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aliphatic'
_Sample_label $sample_4
save_
save_2D_15N_edited_1H-1H_NOESY_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 15N edited 1H-1H NOESY'
_Sample_label $sample_1
save_
save_2D_13C-13C_COSY_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 13C-13C COSY'
_Sample_label $sample_2
save_
save_3D_1H-13C_NOESY_aromatic_15
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aromatic'
_Sample_label $sample_4
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details
;
Ac-MEEVD in relation 2:1 to Tah1
25 mM Na2HPO4
100 mM NaCl
;
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.1375 . M
pH 8 . pH
pressure 1 . atm
temperature 293 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.00 na indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$CARA
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'2D 1H-1H NOESY'
stop_
loop_
_Sample_label
$sample_1
$sample_3
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'molecule 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 3 3 GLN HA H 4.329 0.020 1
2 3 3 GLN HB2 H 1.894 0.020 2
3 3 3 GLN HB3 H 1.827 0.020 2
4 3 3 GLN HE21 H 7.484 0.020 2
5 3 3 GLN HE22 H 6.819 0.020 2
6 3 3 GLN C C 179.476 0.300 1
7 3 3 GLN CA C 58.879 0.300 1
8 3 3 GLN CB C 30.188 0.300 1
9 3 3 GLN CD C 180.472 0.300 1
10 3 3 GLN NE2 N 112.947 0.300 1
11 4 4 PHE H H 8.019 0.020 1
12 4 4 PHE HA H 3.942 0.020 1
13 4 4 PHE HB2 H 3.073 0.020 2
14 4 4 PHE HB3 H 2.972 0.020 2
15 4 4 PHE HD1 H 6.987 0.020 3
16 4 4 PHE HD2 H 7.049 0.020 3
17 4 4 PHE HE1 H 7.321 0.020 3
18 4 4 PHE HE2 H 7.321 0.020 3
19 4 4 PHE C C 176.612 0.300 1
20 4 4 PHE CA C 61.687 0.300 1
21 4 4 PHE CB C 39.941 0.300 1
22 4 4 PHE N N 118.876 0.300 1
23 5 5 GLU H H 7.985 0.020 1
24 5 5 GLU HA H 3.834 0.020 1
25 5 5 GLU HB2 H 2.146 0.020 2
26 5 5 GLU HB3 H 2.116 0.020 2
27 5 5 GLU HG2 H 2.435 0.020 2
28 5 5 GLU HG3 H 2.407 0.020 2
29 5 5 GLU C C 179.476 0.300 1
30 5 5 GLU CA C 59.436 0.300 1
31 5 5 GLU CB C 29.380 0.300 1
32 5 5 GLU CG C 37.085 0.300 1
33 5 5 GLU CD C 183.251 0.300 1
34 5 5 GLU N N 117.554 0.300 1
35 6 6 LYS H H 8.270 0.020 1
36 6 6 LYS HA H 3.965 0.020 1
37 6 6 LYS HB2 H 1.834 0.020 2
38 6 6 LYS HB3 H 1.816 0.020 2
39 6 6 LYS HG2 H 1.469 0.020 2
40 6 6 LYS HG3 H 1.336 0.020 2
41 6 6 LYS HD2 H 1.618 0.020 2
42 6 6 LYS HD3 H 1.598 0.020 2
43 6 6 LYS HE2 H 2.885 0.020 2
44 6 6 LYS HE3 H 2.871 0.020 2
45 6 6 LYS HZ H 7.235 0.020 1
46 6 6 LYS C C 179.529 0.300 1
47 6 6 LYS CA C 59.442 0.300 1
48 6 6 LYS CB C 32.443 0.300 1
49 6 6 LYS CG C 25.232 0.300 1
50 6 6 LYS CD C 29.227 0.300 1
51 6 6 LYS CE C 41.999 0.300 1
52 6 6 LYS N N 120.424 0.300 1
53 7 7 GLN H H 8.258 0.020 1
54 7 7 GLN HA H 4.021 0.020 1
55 7 7 GLN HB2 H 2.002 0.020 2
56 7 7 GLN HB3 H 1.831 0.020 2
57 7 7 GLN HG2 H 2.229 0.020 2
58 7 7 GLN HG3 H 2.182 0.020 2
59 7 7 GLN HE21 H 7.046 0.020 2
60 7 7 GLN HE22 H 6.545 0.020 2
61 7 7 GLN C C 178.355 0.300 1
62 7 7 GLN CA C 58.879 0.300 1
63 7 7 GLN CB C 28.155 0.300 1
64 7 7 GLN CG C 34.128 0.300 1
65 7 7 GLN CD C 178.751 0.300 1
66 7 7 GLN N N 120.338 0.300 1
67 7 7 GLN NE2 N 109.426 0.300 1
68 8 8 LYS H H 8.379 0.020 1
69 8 8 LYS HA H 3.607 0.020 1
70 8 8 LYS HB2 H 1.947 0.020 2
71 8 8 LYS HB3 H 1.252 0.020 2
72 8 8 LYS HG2 H 1.455 0.020 2
73 8 8 LYS HG3 H 1.038 0.020 2
74 8 8 LYS HD2 H 1.314 0.020 2
75 8 8 LYS HD3 H 1.293 0.020 2
76 8 8 LYS HE2 H 3.147 0.020 2
77 8 8 LYS HE3 H 2.777 0.020 2
78 8 8 LYS HZ H 6.913 0.020 1
79 8 8 LYS C C 177.270 0.300 1
80 8 8 LYS CA C 60.775 0.300 1
81 8 8 LYS CB C 31.237 0.300 1
82 8 8 LYS CG C 23.723 0.300 1
83 8 8 LYS CD C 29.071 0.300 1
84 8 8 LYS CE C 40.419 0.300 1
85 8 8 LYS N N 122.171 0.300 1
86 9 9 GLU H H 8.207 0.020 1
87 9 9 GLU HA H 3.977 0.020 1
88 9 9 GLU HB2 H 2.091 0.020 2
89 9 9 GLU HB3 H 2.071 0.020 2
90 9 9 GLU HG2 H 2.315 0.020 2
91 9 9 GLU HG3 H 2.253 0.020 2
92 9 9 GLU C C 179.476 0.300 1
93 9 9 GLU CA C 59.240 0.300 1
94 9 9 GLU CB C 29.230 0.300 1
95 9 9 GLU CG C 36.366 0.300 1
96 9 9 GLU CD C 183.946 0.300 1
97 9 9 GLU N N 118.679 0.300 1
98 10 10 GLN H H 8.091 0.020 1
99 10 10 GLN HA H 4.066 0.020 1
100 10 10 GLN HB2 H 2.126 0.020 2
101 10 10 GLN HB3 H 2.093 0.020 2
102 10 10 GLN HG2 H 2.392 0.020 2
103 10 10 GLN HG3 H 2.322 0.020 2
104 10 10 GLN HE21 H 7.513 0.020 2
105 10 10 GLN HE22 H 6.887 0.020 2
106 10 10 GLN C C 178.985 0.300 1
107 10 10 GLN CA C 58.875 0.300 1
108 10 10 GLN CB C 27.932 0.300 1
109 10 10 GLN CG C 33.591 0.300 1
110 10 10 GLN CD C 179.691 0.300 1
111 10 10 GLN N N 120.855 0.300 1
112 10 10 GLN NE2 N 112.276 0.300 1
113 11 11 GLY H H 8.438 0.020 1
114 11 11 GLY HA2 H 3.512 0.020 2
115 11 11 GLY HA3 H 3.296 0.020 2
116 11 11 GLY C C 174.175 0.300 1
117 11 11 GLY CA C 47.838 0.300 1
118 11 11 GLY N N 107.935 0.300 1
119 12 12 ASN H H 8.972 0.020 1
120 12 12 ASN HA H 4.480 0.020 1
121 12 12 ASN HB2 H 2.953 0.020 2
122 12 12 ASN HB3 H 2.682 0.020 2
123 12 12 ASN C C 177.946 0.300 1
124 12 12 ASN CA C 55.512 0.300 1
125 12 12 ASN CB C 36.480 0.300 1
126 12 12 ASN CG C 175.355 0.300 1
127 12 12 ASN N N 121.077 0.300 1
128 13 13 SER H H 8.438 0.020 1
129 13 13 SER HA H 4.210 0.020 1
130 13 13 SER HB2 H 3.996 0.020 2
131 13 13 SER HB3 H 3.910 0.020 2
132 13 13 SER C C 177.519 0.300 1
133 13 13 SER CA C 61.684 0.300 1
134 13 13 SER CB C 62.809 0.300 1
135 13 13 SER N N 118.162 0.300 1
136 14 14 LEU H H 7.859 0.020 1
137 14 14 LEU HA H 3.950 0.020 1
138 14 14 LEU HB2 H 1.860 0.020 2
139 14 14 LEU HB3 H 1.555 0.020 2
140 14 14 LEU HG H 1.732 0.020 1
141 14 14 LEU HD1 H 0.712 0.020 1
142 14 14 LEU HD2 H 0.781 0.020 1
143 14 14 LEU C C 178.960 0.300 1
144 14 14 LEU CA C 58.351 0.300 1
145 14 14 LEU CB C 40.581 0.300 1
146 14 14 LEU CG C 26.817 0.300 1
147 14 14 LEU CD1 C 26.249 0.300 2
148 14 14 LEU CD2 C 23.165 0.300 2
149 14 14 LEU N N 123.460 0.300 1
150 15 15 PHE H H 8.985 0.020 1
151 15 15 PHE HA H 3.557 0.020 1
152 15 15 PHE HB2 H 3.571 0.020 2
153 15 15 PHE HB3 H 3.237 0.020 2
154 15 15 PHE HD1 H 6.797 0.020 3
155 15 15 PHE HD2 H 6.797 0.020 3
156 15 15 PHE HE1 H 6.943 0.020 3
157 15 15 PHE HE2 H 6.943 0.020 3
158 15 15 PHE HZ H 7.157 0.020 1
159 15 15 PHE C C 179.476 0.300 1
160 15 15 PHE CA C 62.487 0.300 1
161 15 15 PHE CB C 40.120 0.300 1
162 15 15 PHE CG C 138.701 0.300 1
163 15 15 PHE CD1 C 131.920 0.300 3
164 15 15 PHE CD2 C 131.920 0.300 3
165 15 15 PHE CE1 C 129.585 0.300 3
166 15 15 PHE CZ C 128.088 0.300 1
167 15 15 PHE N N 121.843 0.300 1
168 16 16 LYS H H 8.502 0.020 1
169 16 16 LYS HA H 3.999 0.020 1
170 16 16 LYS HB2 H 2.068 0.020 2
171 16 16 LYS HB3 H 2.035 0.020 2
172 16 16 LYS HG2 H 1.762 0.020 2
173 16 16 LYS HG3 H 1.640 0.020 2
174 16 16 LYS HD2 H 1.745 0.020 2
175 16 16 LYS HD3 H 1.680 0.020 2
176 16 16 LYS HE2 H 2.957 0.020 2
177 16 16 LYS HE3 H 2.881 0.020 2
178 16 16 LYS HZ H 7.159 0.020 1
179 16 16 LYS C C 177.626 0.300 1
180 16 16 LYS CA C 59.436 0.300 1
181 16 16 LYS CB C 32.441 0.300 1
182 16 16 LYS CG C 26.252 0.300 1
183 16 16 LYS CD C 29.326 0.300 1
184 16 16 LYS CE C 42.006 0.300 1
185 16 16 LYS N N 121.295 0.300 1
186 17 17 GLN H H 7.364 0.020 1
187 17 17 GLN HA H 4.199 0.020 1
188 17 17 GLN HB2 H 1.962 0.020 2
189 17 17 GLN HB3 H 1.932 0.020 2
190 17 17 GLN HG2 H 2.181 0.020 2
191 17 17 GLN HG3 H 2.127 0.020 2
192 17 17 GLN HE21 H 6.935 0.020 2
193 17 17 GLN HE22 H 6.729 0.020 2
194 17 17 GLN C C 175.689 0.300 1
195 17 17 GLN CA C 56.063 0.300 1
196 17 17 GLN CB C 30.513 0.300 1
197 17 17 GLN CG C 36.381 0.300 1
198 17 17 GLN N N 115.857 0.300 1
199 17 17 GLN NE2 N 110.857 0.300 1
200 18 18 GLY H H 7.582 0.020 1
201 18 18 GLY HA2 H 3.715 0.020 2
202 18 18 GLY HA3 H 2.588 0.020 2
203 18 18 GLY C C 173.516 0.300 1
204 18 18 GLY CA C 44.249 0.300 1
205 18 18 GLY N N 107.534 0.300 1
206 19 19 LEU H H 7.573 0.020 1
207 19 19 LEU HA H 4.301 0.020 1
208 19 19 LEU HB2 H 1.475 0.020 2
209 19 19 LEU HB3 H 1.431 0.020 2
210 19 19 LEU HG H 1.196 0.020 1
211 19 19 LEU HD1 H 0.704 0.020 1
212 19 19 LEU HD2 H 0.644 0.020 1
213 19 19 LEU C C 176.754 0.300 1
214 19 19 LEU CA C 52.527 0.300 1
215 19 19 LEU CB C 38.627 0.300 1
216 19 19 LEU CG C 26.810 0.300 1
217 19 19 LEU CD1 C 25.688 0.300 2
218 19 19 LEU CD2 C 23.093 0.300 2
219 19 19 LEU N N 124.601 0.300 1
220 20 20 TYR H H 6.591 0.020 1
221 20 20 TYR HA H 3.983 0.020 1
222 20 20 TYR HB2 H 3.138 0.020 2
223 20 20 TYR HB3 H 2.604 0.020 2
224 20 20 TYR HD1 H 7.158 0.020 3
225 20 20 TYR HD2 H 7.158 0.020 3
226 20 20 TYR HE1 H 6.171 0.020 3
227 20 20 TYR HE2 H 6.126 0.020 3
228 20 20 TYR C C 177.857 0.300 1
229 20 20 TYR CA C 62.000 0.300 1
230 20 20 TYR CB C 38.248 0.300 1
231 20 20 TYR CG C 129.754 0.300 1
232 20 20 TYR CD1 C 131.704 0.300 3
233 20 20 TYR CD2 C 131.543 0.300 3
234 20 20 TYR CE1 C 119.571 0.300 3
235 20 20 TYR CE2 C 119.483 0.300 3
236 20 20 TYR CZ C 157.187 0.300 1
237 20 20 TYR N N 118.072 0.300 1
238 21 21 ARG H H 8.985 0.020 1
239 21 21 ARG HA H 3.782 0.020 1
240 21 21 ARG HB2 H 1.840 0.020 2
241 21 21 ARG HB3 H 1.714 0.020 2
242 21 21 ARG HG2 H 1.665 0.020 2
243 21 21 ARG HG3 H 1.640 0.020 2
244 21 21 ARG HD2 H 3.133 0.020 2
245 21 21 ARG HD3 H 3.096 0.020 2
246 21 21 ARG HE H 7.160 0.020 1
247 21 21 ARG HH11 H 6.779 0.020 1
248 21 21 ARG HH12 H 6.779 0.020 1
249 21 21 ARG HH21 H 6.833 0.020 1
250 21 21 ARG HH22 H 6.833 0.020 1
251 21 21 ARG C C 178.746 0.300 1
252 21 21 ARG CA C 59.021 0.300 1
253 21 21 ARG CB C 28.823 0.300 1
254 21 21 ARG CG C 26.819 0.300 1
255 21 21 ARG CD C 42.311 0.300 1
256 21 21 ARG N N 120.158 0.300 1
257 22 22 GLU H H 9.348 0.020 1
258 22 22 GLU HA H 3.876 0.020 1
259 22 22 GLU HB2 H 2.017 0.024 2
260 22 22 GLU HB3 H 1.959 0.020 2
261 22 22 GLU HG2 H 2.423 0.020 2
262 22 22 GLU HG3 H 2.161 0.020 2
263 22 22 GLU C C 179.814 0.300 1
264 22 22 GLU CA C 60.310 0.300 1
265 22 22 GLU CB C 28.482 0.300 1
266 22 22 GLU CG C 37.287 0.300 1
267 22 22 GLU CD C 183.078 0.300 1
268 22 22 GLU N N 121.734 0.300 1
269 23 23 ALA H H 8.264 0.020 1
270 23 23 ALA HA H 3.655 0.020 1
271 23 23 ALA HB H 1.459 0.020 1
272 23 23 ALA C C 178.444 0.300 1
273 23 23 ALA CA C 55.879 0.300 1
274 23 23 ALA CB C 17.390 0.300 1
275 23 23 ALA N N 123.058 0.300 1
276 24 24 VAL H H 8.234 0.020 1
277 24 24 VAL HA H 3.262 0.020 1
278 24 24 VAL HB H 2.324 0.020 1
279 24 24 VAL HG1 H 1.130 0.020 1
280 24 24 VAL HG2 H 0.880 0.020 1
281 24 24 VAL C C 176.345 0.300 1
282 24 24 VAL CA C 68.490 0.300 1
283 24 24 VAL CB C 30.985 0.300 1
284 24 24 VAL CG1 C 25.273 0.300 2
285 24 24 VAL CG2 C 22.313 0.300 2
286 24 24 VAL N N 117.507 0.300 1
287 25 25 HIS H H 7.294 0.020 1
288 25 25 HIS HA H 4.399 0.020 1
289 25 25 HIS HB2 H 3.198 0.020 2
290 25 25 HIS HB3 H 3.119 0.020 2
291 25 25 HIS HD1 H 9.053 0.020 1
292 25 25 HIS HD2 H 6.911 0.020 1
293 25 25 HIS HE1 H 7.650 0.020 1
294 25 25 HIS C C 178.924 0.300 1
295 25 25 HIS CA C 59.774 0.300 1
296 25 25 HIS CB C 29.991 0.300 1
297 25 25 HIS CG C 134.162 0.300 1
298 25 25 HIS CD2 C 120.329 0.300 1
299 25 25 HIS CE1 C 138.440 0.300 1
300 25 25 HIS N N 116.904 0.300 1
301 26 26 CYS H H 7.161 0.020 1
302 26 26 CYS HA H 4.026 0.020 1
303 26 26 CYS HB2 H 2.667 0.020 2
304 26 26 CYS HB3 H 2.634 0.020 2
305 26 26 CYS C C 177.643 0.300 1
306 26 26 CYS CA C 62.867 0.300 1
307 26 26 CYS CB C 26.687 0.300 1
308 26 26 CYS N N 117.282 0.300 1
309 27 27 TYR H H 8.498 0.020 1
310 27 27 TYR HA H 4.442 0.020 1
311 27 27 TYR HB2 H 3.274 0.027 2
312 27 27 TYR HB3 H 2.790 0.020 2
313 27 27 TYR HD1 H 6.826 0.020 3
314 27 27 TYR HD2 H 6.826 0.020 3
315 27 27 TYR HE1 H 6.773 0.020 3
316 27 27 TYR HE2 H 6.773 0.020 3
317 27 27 TYR C C 178.266 0.300 1
318 27 27 TYR CA C 58.078 0.300 1
319 27 27 TYR CB C 36.156 0.300 1
320 27 27 TYR CG C 129.131 0.300 1
321 27 27 TYR CD1 C 131.936 0.300 3
322 27 27 TYR CD2 C 131.847 0.300 3
323 27 27 TYR CE1 C 118.959 0.300 3
324 27 27 TYR CE2 C 118.882 0.300 3
325 27 27 TYR N N 120.415 0.300 1
326 28 28 ASP H H 9.234 0.020 1
327 28 28 ASP HA H 4.477 0.020 1
328 28 28 ASP HB2 H 2.760 0.020 2
329 28 28 ASP HB3 H 2.427 0.020 2
330 28 28 ASP C C 179.600 0.300 1
331 28 28 ASP CA C 57.763 0.300 1
332 28 28 ASP CB C 40.306 0.300 1
333 28 28 ASP CG C 178.529 0.300 1
334 28 28 ASP N N 121.296 0.300 1
335 29 29 GLN H H 7.270 0.020 1
336 29 29 GLN HA H 4.021 0.020 1
337 29 29 GLN HB2 H 2.193 0.020 2
338 29 29 GLN HB3 H 2.027 0.020 2
339 29 29 GLN HG2 H 2.343 0.020 2
340 29 29 GLN HG3 H 2.325 0.020 2
341 29 29 GLN HE21 H 6.912 0.020 2
342 29 29 GLN HE22 H 6.759 0.020 2
343 29 29 GLN C C 179.529 0.300 1
344 29 29 GLN CA C 58.311 0.300 1
345 29 29 GLN CB C 27.942 0.300 1
346 29 29 GLN CG C 34.124 0.300 1
347 29 29 GLN CD C 179.778 0.300 1
348 29 29 GLN N N 117.675 0.300 1
349 29 29 GLN NE2 N 112.832 0.300 1
350 30 30 LEU H H 7.469 0.020 1
351 30 30 LEU HA H 3.974 0.020 1
352 30 30 LEU HB2 H 2.134 0.020 2
353 30 30 LEU HB3 H 1.398 0.020 2
354 30 30 LEU HG H 1.813 0.020 1
355 30 30 LEU HD1 H 0.587 0.020 1
356 30 30 LEU HD2 H -0.110 0.020 1
357 30 30 LEU C C 178.995 0.300 1
358 30 30 LEU CA C 57.380 0.300 1
359 30 30 LEU CB C 39.513 0.300 1
360 30 30 LEU CG C 26.324 0.300 1
361 30 30 LEU CD1 C 25.957 0.300 2
362 30 30 LEU CD2 C 21.190 0.300 2
363 30 30 LEU N N 119.697 0.300 1
364 31 31 ILE H H 7.446 0.020 1
365 31 31 ILE HA H 3.267 0.020 1
366 31 31 ILE HB H 1.560 0.020 1
367 31 31 ILE HG12 H 1.163 0.020 2
368 31 31 ILE HG13 H -0.406 0.020 2
369 31 31 ILE HG2 H 0.610 0.020 1
370 31 31 ILE HD1 H 0.426 0.020 1
371 31 31 ILE C C 176.950 0.300 1
372 31 31 ILE CA C 64.788 0.300 1
373 31 31 ILE CB C 38.920 0.300 1
374 31 31 ILE CG1 C 29.152 0.300 1
375 31 31 ILE CG2 C 16.889 0.300 1
376 31 31 ILE CD1 C 15.711 0.300 1
377 31 31 ILE N N 121.516 0.300 1
378 32 32 THR H H 7.676 0.020 1
379 32 32 THR HA H 3.782 0.020 1
380 32 32 THR HB H 4.017 0.020 1
381 32 32 THR HG2 H 1.155 0.020 1
382 32 32 THR C C 176.238 0.300 1
383 32 32 THR CA C 65.698 0.300 1
384 32 32 THR CB C 68.850 0.300 1
385 32 32 THR CG2 C 21.856 0.300 1
386 32 32 THR N N 112.282 0.300 1
387 33 33 ALA H H 7.646 0.020 1
388 33 33 ALA HA H 4.178 0.020 1
389 33 33 ALA HB H 1.694 0.020 1
390 33 33 ALA C C 178.871 0.300 1
391 33 33 ALA CA C 54.883 0.300 1
392 33 33 ALA CB C 20.057 0.300 1
393 33 33 ALA N N 121.426 0.300 1
394 34 34 GLN H H 8.048 0.020 1
395 34 34 GLN HA H 4.744 0.020 1
396 34 34 GLN HB2 H 2.054 0.020 2
397 34 34 GLN HB3 H 1.865 0.046 2
398 34 34 GLN HG2 H 2.283 0.020 2
399 34 34 GLN HG3 H 1.990 0.020 2
400 34 34 GLN HE21 H 7.061 0.020 2
401 34 34 GLN HE22 H 6.153 0.020 2
402 34 34 GLN CA C 53.486 0.300 1
403 34 34 GLN CB C 27.066 0.300 1
404 34 34 GLN CG C 34.123 0.300 1
405 34 34 GLN CD C 179.768 0.300 1
406 34 34 GLN N N 114.926 0.300 1
407 34 34 GLN NE2 N 110.995 0.300 1
408 35 35 PRO HA H 4.723 0.020 1
409 35 35 PRO HB2 H 2.417 0.020 2
410 35 35 PRO HB3 H 1.874 0.020 2
411 35 35 PRO HG2 H 2.051 0.020 2
412 35 35 PRO HG3 H 1.815 0.020 2
413 35 35 PRO HD2 H 3.510 0.020 2
414 35 35 PRO HD3 H 3.370 0.020 2
415 35 35 PRO C C 177.981 0.300 1
416 35 35 PRO CA C 64.335 0.300 1
417 35 35 PRO CB C 31.994 0.300 1
418 35 35 PRO CG C 26.971 0.300 1
419 35 35 PRO CD C 50.005 0.300 1
420 36 36 GLN H H 8.272 0.020 1
421 36 36 GLN HA H 3.217 0.020 1
422 36 36 GLN HB2 H 1.904 0.020 2
423 36 36 GLN HB3 H 1.663 0.020 2
424 36 36 GLN HG2 H 1.989 0.020 2
425 36 36 GLN HG3 H 1.989 0.020 2
426 36 36 GLN HE21 H 7.403 0.020 2
427 36 36 GLN HE22 H 6.883 0.020 2
428 36 36 GLN C C 173.890 0.300 1
429 36 36 GLN CA C 53.960 0.300 1
430 36 36 GLN CB C 27.369 0.300 1
431 36 36 GLN CG C 34.128 0.300 1
432 36 36 GLN CD C 180.952 0.300 1
433 36 36 GLN N N 114.348 0.300 1
434 36 36 GLN NE2 N 111.846 0.300 1
435 37 37 ASN H H 7.734 0.020 1
436 37 37 ASN HA H 5.040 0.020 1
437 37 37 ASN HB2 H 3.540 0.020 2
438 37 37 ASN HB3 H 2.655 0.020 2
439 37 37 ASN HD21 H 7.194 0.020 2
440 37 37 ASN HD22 H 6.959 0.020 2
441 37 37 ASN CA C 49.313 0.300 1
442 37 37 ASN CB C 39.733 0.300 1
443 37 37 ASN CG C 177.576 0.300 1
444 37 37 ASN N N 120.336 0.300 1
445 37 37 ASN ND2 N 112.723 0.300 1
446 38 38 PRO HA H 4.510 0.020 1
447 38 38 PRO HB2 H 2.207 0.020 2
448 38 38 PRO HB3 H 1.670 0.020 2
449 38 38 PRO HG2 H 1.536 0.020 2
450 38 38 PRO HG3 H 1.380 0.020 2
451 38 38 PRO HD2 H 3.844 0.020 2
452 38 38 PRO HD3 H 3.746 0.020 2
453 38 38 PRO C C 177.323 0.300 1
454 38 38 PRO CA C 64.596 0.300 1
455 38 38 PRO CB C 32.984 0.300 1
456 38 38 PRO CG C 26.811 0.300 1
457 38 38 PRO CD C 50.445 0.300 1
458 39 39 VAL H H 8.202 0.020 1
459 39 39 VAL HA H 3.569 0.020 1
460 39 39 VAL HB H 1.971 0.020 1
461 39 39 VAL HG1 H 0.949 0.020 1
462 39 39 VAL HG2 H 0.786 0.020 1
463 39 39 VAL C C 176.871 0.300 1
464 39 39 VAL CA C 66.630 0.300 1
465 39 39 VAL CB C 31.687 0.300 1
466 39 39 VAL CG1 C 23.673 0.300 2
467 39 39 VAL CG2 C 20.715 0.300 2
468 39 39 VAL N N 119.228 0.300 1
469 40 40 GLY H H 7.175 0.020 1
470 40 40 GLY HA2 H 3.879 0.020 2
471 40 40 GLY HA3 H 3.238 0.020 2
472 40 40 GLY C C 174.495 0.300 1
473 40 40 GLY CA C 48.480 0.300 1
474 40 40 GLY N N 106.132 0.300 1
475 41 41 TYR H H 6.328 0.020 1
476 41 41 TYR HA H 3.837 0.020 1
477 41 41 TYR HB2 H 3.404 0.020 2
478 41 41 TYR HB3 H 2.676 0.020 2
479 41 41 TYR HD1 H 7.417 0.020 3
480 41 41 TYR HD2 H 7.417 0.020 3
481 41 41 TYR HE1 H 6.810 0.020 3
482 41 41 TYR HE2 H 6.810 0.020 3
483 41 41 TYR C C 177.498 0.300 1
484 41 41 TYR CA C 61.337 0.300 1
485 41 41 TYR CB C 38.178 0.300 1
486 41 41 TYR CG C 130.077 0.300 1
487 41 41 TYR CD1 C 133.302 0.300 3
488 41 41 TYR CD2 C 133.232 0.300 3
489 41 41 TYR CE1 C 119.251 0.300 3
490 41 41 TYR CE2 C 119.123 0.300 3
491 41 41 TYR CZ C 157.462 0.300 1
492 41 41 TYR N N 117.122 0.300 1
493 42 42 SER H H 8.023 0.020 1
494 42 42 SER HA H 3.829 0.020 1
495 42 42 SER HB2 H 3.858 0.020 2
496 42 42 SER HB3 H 3.463 0.020 2
497 42 42 SER C C 178.515 0.300 1
498 42 42 SER CA C 61.704 0.300 1
499 42 42 SER CB C 63.520 0.300 1
500 42 42 SER N N 111.460 0.300 1
501 43 43 ASN H H 8.359 0.020 1
502 43 43 ASN HA H 3.791 0.020 1
503 43 43 ASN HB2 H 1.669 0.020 2
504 43 43 ASN HB3 H 0.932 0.020 2
505 43 43 ASN C C 176.131 0.300 1
506 43 43 ASN CA C 55.222 0.300 1
507 43 43 ASN CB C 33.001 0.300 1
508 43 43 ASN CG C 175.811 0.300 1
509 43 43 ASN N N 120.253 0.300 1
510 44 44 LYS H H 7.835 0.020 1
511 44 44 LYS HA H 3.839 0.020 1
512 44 44 LYS HB2 H 1.911 0.020 2
513 44 44 LYS HB3 H 1.869 0.020 2
514 44 44 LYS HG2 H 1.471 0.020 2
515 44 44 LYS HG3 H 1.437 0.020 2
516 44 44 LYS HD2 H 1.877 0.020 2
517 44 44 LYS HD3 H 1.690 0.020 2
518 44 44 LYS HE2 H 2.856 0.020 2
519 44 44 LYS HE3 H 2.826 0.020 2
520 44 44 LYS HZ H 8.201 0.020 1
521 44 44 LYS C C 177.626 0.300 1
522 44 44 LYS CA C 61.127 0.300 1
523 44 44 LYS CB C 33.568 0.300 1
524 44 44 LYS CG C 26.819 0.300 1
525 44 44 LYS CD C 30.338 0.300 1
526 44 44 LYS CE C 42.562 0.300 1
527 44 44 LYS N N 119.155 0.300 1
528 45 45 ALA H H 8.640 0.020 1
529 45 45 ALA HA H 3.838 0.020 1
530 45 45 ALA HB H 1.489 0.020 1
531 45 45 ALA C C 178.800 0.300 1
532 45 45 ALA CA C 56.072 0.300 1
533 45 45 ALA CB C 19.765 0.300 1
534 45 45 ALA N N 118.454 0.300 1
535 46 46 MET H H 7.343 0.020 1
536 46 46 MET HA H 4.622 0.050 1
537 46 46 MET HB2 H 2.764 0.020 2
538 46 46 MET HB3 H 2.453 0.020 2
539 46 46 MET HG2 H 2.113 0.020 2
540 46 46 MET HG3 H 2.005 0.020 2
541 46 46 MET HE H 2.222 0.020 1
542 46 46 MET C C 177.893 0.300 1
543 46 46 MET CA C 56.836 0.300 1
544 46 46 MET CB C 33.782 0.300 1
545 46 46 MET CG C 28.250 0.300 1
546 46 46 MET CE C 20.689 0.300 1
547 46 46 MET N N 115.197 0.300 1
548 47 47 ALA H H 7.861 0.020 1
549 47 47 ALA HA H 4.057 0.020 1
550 47 47 ALA HB H 1.816 0.020 1
551 47 47 ALA C C 178.124 0.300 1
552 47 47 ALA CA C 55.954 0.300 1
553 47 47 ALA CB C 18.900 0.300 1
554 47 47 ALA N N 120.633 0.300 1
555 48 48 LEU H H 8.540 0.020 1
556 48 48 LEU HA H 3.883 0.020 1
557 48 48 LEU HB2 H 1.872 0.020 2
558 48 48 LEU HB3 H 1.631 0.020 2
559 48 48 LEU HG H 1.830 0.020 1
560 48 48 LEU HD1 H 0.696 0.020 1
561 48 48 LEU HD2 H 0.831 0.020 1
562 48 48 LEU C C 179.867 0.300 1
563 48 48 LEU CA C 57.917 0.300 1
564 48 48 LEU CB C 40.930 0.300 1
565 48 48 LEU CG C 26.250 0.300 1
566 48 48 LEU CD1 C 27.379 0.300 2
567 48 48 LEU CD2 C 21.914 0.300 2
568 48 48 LEU N N 116.244 0.300 1
569 49 49 ILE H H 8.306 0.020 1
570 49 49 ILE HA H 3.209 0.020 1
571 49 49 ILE HB H 2.105 0.020 1
572 49 49 ILE HG12 H 1.865 0.020 2
573 49 49 ILE HG13 H 0.783 0.020 2
574 49 49 ILE HG2 H 0.919 0.020 1
575 49 49 ILE HD1 H 0.972 0.020 1
576 49 49 ILE C C 179.582 0.300 1
577 49 49 ILE CA C 66.689 0.300 1
578 49 49 ILE CB C 37.622 0.300 1
579 49 49 ILE CG1 C 31.696 0.300 1
580 49 49 ILE CG2 C 17.668 0.300 1
581 49 49 ILE CD1 C 14.181 0.300 1
582 49 49 ILE N N 121.730 0.300 1
583 50 50 LYS H H 7.474 0.020 1
584 50 50 LYS HA H 3.759 0.020 1
585 50 50 LYS HB2 H 1.153 0.020 2
586 50 50 LYS HB3 H 0.532 0.020 2
587 50 50 LYS HG2 H 1.481 0.020 2
588 50 50 LYS HG3 H 1.138 0.020 2
589 50 50 LYS HD2 H 1.301 0.020 2
590 50 50 LYS HD3 H 1.301 0.020 2
591 50 50 LYS HE2 H 2.866 0.020 2
592 50 50 LYS HE3 H 2.721 0.020 2
593 50 50 LYS HZ H 7.098 0.020 1
594 50 50 LYS C C 178.391 0.300 1
595 50 50 LYS CA C 56.681 0.300 1
596 50 50 LYS CB C 28.936 0.300 1
597 50 50 LYS CG C 24.566 0.300 1
598 50 50 LYS CD C 27.006 0.300 1
599 50 50 LYS CE C 41.802 0.300 1
600 50 50 LYS N N 119.765 0.300 1
601 51 51 LEU H H 7.082 0.020 1
602 51 51 LEU HA H 4.171 0.020 1
603 51 51 LEU HB2 H 1.763 0.020 2
604 51 51 LEU HB3 H 1.615 0.020 2
605 51 51 LEU HG H 1.599 0.020 1
606 51 51 LEU HD1 H 0.657 0.020 1
607 51 51 LEU HD2 H 1.035 0.020 1
608 51 51 LEU C C 176.818 0.300 1
609 51 51 LEU CA C 54.927 0.300 1
610 51 51 LEU CB C 43.895 0.300 1
611 51 51 LEU CG C 26.593 0.300 1
612 51 51 LEU CD1 C 25.211 0.300 2
613 51 51 LEU CD2 C 23.407 0.300 2
614 51 51 LEU N N 117.367 0.300 1
615 52 52 GLY H H 7.652 0.020 1
616 52 52 GLY HA2 H 3.826 0.020 2
617 52 52 GLY HA3 H 2.778 0.020 2
618 52 52 GLY C C 174.281 0.300 1
619 52 52 GLY CA C 44.817 0.300 1
620 52 52 GLY N N 108.877 0.300 1
621 53 53 GLU H H 7.791 0.020 1
622 53 53 GLU HA H 4.453 0.020 1
623 53 53 GLU HB2 H 2.022 0.020 2
624 53 53 GLU HB3 H 1.566 0.020 2
625 53 53 GLU HG2 H 2.062 0.020 2
626 53 53 GLU HG3 H 1.928 0.020 2
627 53 53 GLU C C 177.039 0.300 1
628 53 53 GLU CA C 53.257 0.300 1
629 53 53 GLU CB C 27.381 0.300 1
630 53 53 GLU CG C 34.330 0.300 1
631 53 53 GLU CD C 183.158 0.300 1
632 53 53 GLU N N 122.628 0.300 1
633 54 54 TYR H H 6.984 0.020 1
634 54 54 TYR HA H 3.931 0.020 1
635 54 54 TYR HB2 H 3.205 0.020 2
636 54 54 TYR HB3 H 2.760 0.020 2
637 54 54 TYR HD1 H 6.942 0.020 3
638 54 54 TYR HD2 H 6.942 0.020 3
639 54 54 TYR HE1 H 6.832 0.020 3
640 54 54 TYR HE2 H 6.832 0.020 3
641 54 54 TYR C C 177.893 0.300 1
642 54 54 TYR CA C 61.966 0.300 1
643 54 54 TYR CB C 38.239 0.300 1
644 54 54 TYR CG C 129.780 0.300 1
645 54 54 TYR CD1 C 131.866 0.300 3
646 54 54 TYR CD2 C 131.998 0.300 3
647 54 54 TYR CE1 C 119.559 0.300 3
648 54 54 TYR CE2 C 119.680 0.300 3
649 54 54 TYR CZ C 157.725 0.300 1
650 54 54 TYR N N 118.990 0.300 1
651 55 55 THR H H 8.602 0.020 1
652 55 55 THR HA H 3.889 0.020 1
653 55 55 THR HB H 4.152 0.020 1
654 55 55 THR HG2 H 1.242 0.020 1
655 55 55 THR C C 177.768 0.300 1
656 55 55 THR CA C 67.139 0.300 1
657 55 55 THR CB C 67.875 0.300 1
658 55 55 THR CG2 C 22.204 0.300 1
659 55 55 THR N N 114.598 0.300 1
660 56 56 GLN H H 8.351 0.020 1
661 56 56 GLN HA H 4.150 0.023 1
662 56 56 GLN HB2 H 2.121 0.025 2
663 56 56 GLN HB3 H 1.998 0.020 2
664 56 56 GLN HG2 H 2.541 0.020 2
665 56 56 GLN HG3 H 2.337 0.020 2
666 56 56 GLN HE21 H 7.319 0.020 2
667 56 56 GLN HE22 H 6.818 0.020 2
668 56 56 GLN C C 178.622 0.300 1
669 56 56 GLN CA C 59.001 0.300 1
670 56 56 GLN CB C 29.619 0.300 1
671 56 56 GLN CG C 34.935 0.300 1
672 56 56 GLN CD C 179.566 0.300 1
673 56 56 GLN N N 121.732 0.300 1
674 56 56 GLN NE2 N 111.404 0.300 1
675 57 57 ALA H H 8.315 0.020 1
676 57 57 ALA HA H 3.840 0.020 1
677 57 57 ALA HB H 1.519 0.020 1
678 57 57 ALA C C 179.582 0.300 1
679 57 57 ALA CA C 56.272 0.300 1
680 57 57 ALA CB C 18.493 0.300 1
681 57 57 ALA N N 122.609 0.300 1
682 58 58 ILE H H 8.391 0.020 1
683 58 58 ILE HA H 3.363 0.020 1
684 58 58 ILE HB H 1.975 0.020 1
685 58 58 ILE HG12 H 2.030 0.020 2
686 58 58 ILE HG13 H 0.835 0.020 2
687 58 58 ILE HG2 H 0.780 0.020 1
688 58 58 ILE HD1 H 0.765 0.020 1
689 58 58 ILE C C 177.483 0.300 1
690 58 58 ILE CA C 66.744 0.300 1
691 58 58 ILE CB C 38.739 0.300 1
692 58 58 ILE CG1 C 30.822 0.300 1
693 58 58 ILE CG2 C 16.227 0.300 1
694 58 58 ILE CD1 C 14.446 0.300 1
695 58 58 ILE N N 119.779 0.300 1
696 59 59 GLN H H 7.208 0.020 1
697 59 59 GLN HA H 4.057 0.020 1
698 59 59 GLN HB2 H 2.250 0.020 2
699 59 59 GLN HB3 H 2.120 0.020 2
700 59 59 GLN HG2 H 2.514 0.020 2
701 59 59 GLN HG3 H 2.365 0.026 2
702 59 59 GLN HE21 H 7.416 0.020 2
703 59 59 GLN HE22 H 6.819 0.020 2
704 59 59 GLN C C 179.227 0.300 1
705 59 59 GLN CA C 59.079 0.300 1
706 59 59 GLN CB C 28.172 0.300 1
707 59 59 GLN CG C 33.952 0.300 1
708 59 59 GLN CD C 179.671 0.300 1
709 59 59 GLN N N 117.443 0.300 1
710 59 59 GLN NE2 N 111.847 0.300 1
711 60 60 MET H H 8.187 0.020 1
712 60 60 MET HA H 4.627 0.020 1
713 60 60 MET HB2 H 2.427 0.020 2
714 60 60 MET HB3 H 2.394 0.020 2
715 60 60 MET HG2 H 2.763 0.020 2
716 60 60 MET HG3 H 2.444 0.020 2
717 60 60 MET HE H 2.275 0.020 1
718 60 60 MET C C 178.889 0.300 1
719 60 60 MET CA C 56.636 0.300 1
720 60 60 MET CB C 35.250 0.300 1
721 60 60 MET CG C 33.601 0.300 1
722 60 60 MET CE C 20.677 0.300 1
723 60 60 MET N N 116.571 0.300 1
724 61 61 CYS H H 8.547 0.020 1
725 61 61 CYS HA H 4.137 0.020 1
726 61 61 CYS HB2 H 3.149 0.020 2
727 61 61 CYS HB3 H 2.491 0.020 2
728 61 61 CYS C C 176.630 0.300 1
729 61 61 CYS CA C 63.877 0.300 1
730 61 61 CYS CB C 27.944 0.300 1
731 61 61 CYS N N 118.502 0.300 1
732 62 62 GLN H H 8.387 0.020 1
733 62 62 GLN HA H 3.876 0.020 1
734 62 62 GLN HB2 H 2.113 0.020 2
735 62 62 GLN HB3 H 1.821 0.020 2
736 62 62 GLN HG2 H 2.299 0.020 2
737 62 62 GLN HG3 H 2.261 0.020 2
738 62 62 GLN HE21 H 7.123 0.020 2
739 62 62 GLN HE22 H 6.655 0.020 2
740 62 62 GLN C C 179.156 0.300 1
741 62 62 GLN CA C 59.076 0.300 1
742 62 62 GLN CB C 27.665 0.300 1
743 62 62 GLN CG C 34.328 0.300 1
744 62 62 GLN CD C 179.587 0.300 1
745 62 62 GLN N N 116.785 0.300 1
746 62 62 GLN NE2 N 110.292 0.300 1
747 63 63 GLN H H 7.867 0.020 1
748 63 63 GLN HA H 3.670 0.020 1
749 63 63 GLN HB2 H 1.932 0.020 2
750 63 63 GLN HB3 H 1.918 0.020 2
751 63 63 GLN HG2 H 2.385 0.020 2
752 63 63 GLN HG3 H 2.288 0.020 2
753 63 63 GLN HE21 H 7.231 0.020 2
754 63 63 GLN HE22 H 6.837 0.020 2
755 63 63 GLN C C 177.687 0.300 1
756 63 63 GLN CA C 58.626 0.300 1
757 63 63 GLN CB C 27.577 0.300 1
758 63 63 GLN CG C 34.128 0.300 1
759 63 63 GLN CD C 179.494 0.300 1
760 63 63 GLN N N 117.337 0.300 1
761 63 63 GLN NE2 N 111.304 0.300 1
762 64 64 GLY H H 8.208 0.020 1
763 64 64 GLY HA2 H 3.300 0.020 2
764 64 64 GLY HA3 H 3.221 0.020 2
765 64 64 GLY C C 175.420 0.300 1
766 64 64 GLY CA C 47.792 0.300 1
767 64 64 GLY N N 104.595 0.300 1
768 65 65 LEU H H 8.021 0.020 1
769 65 65 LEU HA H 4.068 0.020 1
770 65 65 LEU HB2 H 1.724 0.020 2
771 65 65 LEU HB3 H 1.299 0.020 2
772 65 65 LEU HG H 1.676 0.020 1
773 65 65 LEU HD1 H 0.652 0.020 1
774 65 65 LEU HD2 H 0.940 0.020 1
775 65 65 LEU C C 179.476 0.300 1
776 65 65 LEU CA C 56.789 0.300 1
777 65 65 LEU CB C 42.001 0.300 1
778 65 65 LEU CG C 28.305 0.300 1
779 65 65 LEU CD1 C 25.421 0.300 2
780 65 65 LEU CD2 C 24.990 0.300 2
781 65 65 LEU N N 119.041 0.300 1
782 66 66 ARG H H 7.091 0.020 1
783 66 66 ARG HA H 3.791 0.020 1
784 66 66 ARG HB2 H 1.188 0.020 2
785 66 66 ARG HB3 H 0.999 0.020 2
786 66 66 ARG HG2 H 1.580 0.020 2
787 66 66 ARG HG3 H 1.260 0.020 2
788 66 66 ARG HD2 H 2.899 0.020 2
789 66 66 ARG HD3 H 2.758 0.020 2
790 66 66 ARG C C 177.555 0.300 1
791 66 66 ARG CA C 58.313 0.300 1
792 66 66 ARG CB C 29.392 0.300 1
793 66 66 ARG CG C 26.816 0.300 1
794 66 66 ARG CD C 43.176 0.300 1
795 66 66 ARG N N 118.434 0.300 1
796 67 67 TYR H H 7.219 0.020 1
797 67 67 TYR HA H 4.855 0.020 1
798 67 67 TYR HB2 H 3.601 0.020 2
799 67 67 TYR HB3 H 2.268 0.020 2
800 67 67 TYR HD1 H 6.837 0.020 3
801 67 67 TYR HD2 H 6.837 0.020 3
802 67 67 TYR HE1 H 6.531 0.020 3
803 67 67 TYR HE2 H 6.531 0.020 3
804 67 67 TYR C C 175.635 0.300 1
805 67 67 TYR CA C 57.187 0.300 1
806 67 67 TYR CB C 39.373 0.300 1
807 67 67 TYR CG C 129.450 0.300 1
808 67 67 TYR CD1 C 132.520 0.300 3
809 67 67 TYR CD2 C 132.434 0.300 3
810 67 67 TYR CE1 C 118.729 0.300 3
811 67 67 TYR CE2 C 118.591 0.300 3
812 67 67 TYR CZ C 158.050 0.300 1
813 67 67 TYR N N 116.565 0.300 1
814 68 68 THR H H 7.163 0.020 1
815 68 68 THR HA H 4.555 0.020 1
816 68 68 THR HB H 4.531 0.020 1
817 68 68 THR HG2 H 0.985 0.020 1
818 68 68 THR CA C 59.995 0.300 1
819 68 68 THR CB C 69.590 0.300 1
820 68 68 THR CG2 C 21.990 0.300 1
821 68 68 THR N N 106.405 0.300 1
822 69 69 SER HA H 4.466 0.020 1
823 69 69 SER HB2 H 4.013 0.020 2
824 69 69 SER HB3 H 3.879 0.020 2
825 69 69 SER C C 174.525 0.300 1
826 69 69 SER CA C 59.428 0.300 1
827 69 69 SER CB C 63.937 0.300 1
828 70 70 THR H H 7.954 0.020 1
829 70 70 THR HA H 4.477 0.020 1
830 70 70 THR HB H 4.470 0.020 1
831 70 70 THR HG2 H 1.212 0.020 1
832 70 70 THR CA C 61.211 0.300 1
833 70 70 THR CB C 70.262 0.300 1
834 70 70 THR CG2 C 21.966 0.300 1
835 70 70 THR N N 111.406 0.300 1
836 71 71 ALA HA H 4.162 0.020 1
837 71 71 ALA HB H 1.374 0.020 1
838 71 71 ALA C C 178.995 0.300 1
839 71 71 ALA CA C 54.373 0.300 1
840 71 71 ALA CB C 19.072 0.300 1
841 72 72 GLU H H 8.324 0.020 1
842 72 72 GLU HA H 4.119 0.020 1
843 72 72 GLU HB2 H 1.696 0.020 2
844 72 72 GLU HB3 H 1.634 0.020 2
845 72 72 GLU HG2 H 1.848 0.020 2
846 72 72 GLU HG3 H 1.771 0.020 2
847 72 72 GLU C C 176.736 0.300 1
848 72 72 GLU CA C 57.758 0.300 1
849 72 72 GLU CB C 29.630 0.300 1
850 72 72 GLU CG C 35.696 0.300 1
851 72 72 GLU CD C 184.117 0.300 1
852 72 72 GLU N N 117.465 0.300 1
853 73 73 HIS H H 7.674 0.020 1
854 73 73 HIS HA H 4.965 0.020 1
855 73 73 HIS HB2 H 3.301 0.020 2
856 73 73 HIS HB3 H 2.935 0.020 2
857 73 73 HIS HD1 H 10.618 0.020 1
858 73 73 HIS HD2 H 6.941 0.020 1
859 73 73 HIS HE1 H 7.688 0.020 1
860 73 73 HIS C C 175.491 0.300 1
861 73 73 HIS CA C 55.709 0.300 1
862 73 73 HIS CB C 31.628 0.300 1
863 73 73 HIS CG C 135.190 0.300 1
864 73 73 HIS CD2 C 119.662 0.300 1
865 73 73 HIS CE1 C 138.657 0.300 1
866 73 73 HIS N N 116.692 0.300 1
867 74 74 VAL H H 7.334 0.020 1
868 74 74 VAL HA H 3.622 0.020 1
869 74 74 VAL HB H 2.056 0.020 1
870 74 74 VAL HG1 H 1.024 0.020 1
871 74 74 VAL HG2 H 0.957 0.020 1
872 74 74 VAL C C 177.626 0.300 1
873 74 74 VAL CA C 66.748 0.300 1
874 74 74 VAL CB C 31.874 0.300 1
875 74 74 VAL CG1 C 22.206 0.300 2
876 74 74 VAL CG2 C 20.652 0.300 2
877 74 74 VAL N N 119.451 0.300 1
878 75 75 ALA H H 8.571 0.020 1
879 75 75 ALA HA H 4.207 0.020 1
880 75 75 ALA HB H 1.404 0.020 1
881 75 75 ALA C C 181.041 0.300 1
882 75 75 ALA CA C 55.512 0.300 1
883 75 75 ALA CB C 17.816 0.300 1
884 75 75 ALA N N 123.247 0.300 1
885 76 76 ILE H H 8.097 0.020 1
886 76 76 ILE HA H 3.898 0.020 1
887 76 76 ILE HB H 1.893 0.020 1
888 76 76 ILE HG12 H 1.502 0.020 2
889 76 76 ILE HG13 H 1.306 0.020 2
890 76 76 ILE HG2 H 0.929 0.020 1
891 76 76 ILE HD1 H 0.767 0.020 1
892 76 76 ILE C C 177.501 0.300 1
893 76 76 ILE CA C 63.166 0.300 1
894 76 76 ILE CB C 37.500 0.300 1
895 76 76 ILE CG1 C 29.456 0.300 1
896 76 76 ILE CG2 C 18.324 0.300 1
897 76 76 ILE CD1 C 12.909 0.300 1
898 76 76 ILE N N 119.817 0.300 1
899 77 77 ARG H H 8.769 0.020 1
900 77 77 ARG HA H 3.874 0.020 1
901 77 77 ARG HB2 H 2.093 0.020 2
902 77 77 ARG HB3 H 1.940 0.020 2
903 77 77 ARG HG2 H 1.648 0.020 2
904 77 77 ARG HG3 H 1.452 0.020 2
905 77 77 ARG HD2 H 3.122 0.020 2
906 77 77 ARG HD3 H 3.116 0.020 2
907 77 77 ARG C C 177.946 0.300 1
908 77 77 ARG CA C 60.030 0.300 1
909 77 77 ARG CB C 30.204 0.300 1
910 77 77 ARG CG C 27.020 0.300 1
911 77 77 ARG CD C 43.839 0.300 1
912 77 77 ARG N N 123.707 0.300 1
913 78 78 SER H H 7.826 0.020 1
914 78 78 SER HA H 4.269 0.020 1
915 78 78 SER HB2 H 3.998 0.020 2
916 78 78 SER HB3 H 3.917 0.020 2
917 78 78 SER C C 177.483 0.300 1
918 78 78 SER CA C 61.802 0.300 1
919 78 78 SER CB C 62.458 0.300 1
920 78 78 SER N N 113.043 0.300 1
921 79 79 LYS H H 7.463 0.020 1
922 79 79 LYS HA H 4.295 0.020 1
923 79 79 LYS HB2 H 2.034 0.020 2
924 79 79 LYS HB3 H 1.403 0.020 2
925 79 79 LYS HG2 H 1.276 0.020 2
926 79 79 LYS HG3 H 1.196 0.020 2
927 79 79 LYS HD2 H 1.676 0.020 2
928 79 79 LYS HD3 H 1.484 0.020 2
929 79 79 LYS HE2 H 2.838 0.020 2
930 79 79 LYS HE3 H 2.648 0.020 2
931 79 79 LYS HZ H 7.036 0.020 1
932 79 79 LYS C C 179.102 0.300 1
933 79 79 LYS CA C 60.450 0.300 1
934 79 79 LYS CB C 33.081 0.300 1
935 79 79 LYS CG C 26.469 0.300 1
936 79 79 LYS CD C 30.379 0.300 1
937 79 79 LYS CE C 41.776 0.300 1
938 79 79 LYS N N 122.342 0.300 1
939 80 80 LEU H H 8.713 0.020 1
940 80 80 LEU HA H 3.828 0.020 1
941 80 80 LEU HB2 H 2.228 0.020 2
942 80 80 LEU HB3 H 1.200 0.020 2
943 80 80 LEU HG H 1.728 0.020 1
944 80 80 LEU HD1 H 0.716 0.020 1
945 80 80 LEU HD2 H 1.005 0.020 1
946 80 80 LEU C C 178.693 0.300 1
947 80 80 LEU CA C 59.006 0.300 1
948 80 80 LEU CB C 42.697 0.300 1
949 80 80 LEU CG C 27.936 0.300 1
950 80 80 LEU CD1 C 26.908 0.300 2
951 80 80 LEU CD2 C 25.179 0.300 2
952 80 80 LEU N N 121.396 0.300 1
953 81 81 GLN H H 8.519 0.020 1
954 81 81 GLN HA H 3.876 0.020 1
955 81 81 GLN HB2 H 2.245 0.020 2
956 81 81 GLN HB3 H 2.004 0.020 2
957 81 81 GLN HG2 H 2.512 0.020 2
958 81 81 GLN HG3 H 2.376 0.020 2
959 81 81 GLN HE21 H 7.797 0.020 2
960 81 81 GLN HE22 H 6.606 0.020 2
961 81 81 GLN C C 177.875 0.300 1
962 81 81 GLN CA C 58.920 0.300 1
963 81 81 GLN CB C 28.496 0.300 1
964 81 81 GLN CG C 33.817 0.300 1
965 81 81 GLN CD C 180.512 0.300 1
966 81 81 GLN N N 118.209 0.300 1
967 81 81 GLN NE2 N 111.845 0.300 1
968 82 82 TYR H H 7.950 0.020 1
969 82 82 TYR HA H 4.176 0.030 1
970 82 82 TYR HB2 H 3.270 0.020 2
971 82 82 TYR HB3 H 3.212 0.020 2
972 82 82 TYR HD1 H 6.986 0.020 3
973 82 82 TYR HD2 H 6.986 0.020 3
974 82 82 TYR HE1 H 6.697 0.020 3
975 82 82 TYR HE2 H 6.697 0.020 3
976 82 82 TYR C C 178.426 0.300 1
977 82 82 TYR CA C 61.132 0.300 1
978 82 82 TYR CB C 39.197 0.300 1
979 82 82 TYR CG C 130.399 0.300 1
980 82 82 TYR CD1 C 133.618 0.300 3
981 82 82 TYR CD2 C 133.502 0.300 3
982 82 82 TYR CE1 C 118.055 0.300 3
983 82 82 TYR CE2 C 117.978 0.300 3
984 82 82 TYR CZ C 157.565 0.300 1
985 82 82 TYR N N 120.408 0.300 1
986 83 83 ARG H H 8.687 0.020 1
987 83 83 ARG HA H 3.683 0.020 1
988 83 83 ARG HB2 H 2.162 0.020 2
989 83 83 ARG HB3 H 1.957 0.020 2
990 83 83 ARG HG2 H 1.812 0.020 2
991 83 83 ARG HG3 H 1.640 0.020 2
992 83 83 ARG HD2 H 2.915 0.020 2
993 83 83 ARG HD3 H 2.854 0.020 2
994 83 83 ARG C C 175.971 0.300 1
995 83 83 ARG CA C 58.872 0.300 1
996 83 83 ARG CB C 30.690 0.300 1
997 83 83 ARG CG C 29.838 0.300 1
998 83 83 ARG CD C 43.580 0.300 1
999 83 83 ARG N N 120.197 0.300 1
1000 84 84 LEU H H 8.396 0.020 1
1001 84 84 LEU HA H 3.889 0.020 1
1002 84 84 LEU HB2 H 2.068 0.020 2
1003 84 84 LEU HB3 H 1.336 0.020 2
1004 84 84 LEU HG H 1.439 0.020 1
1005 84 84 LEU HD1 H 0.770 0.020 1
1006 84 84 LEU HD2 H 0.923 0.020 1
1007 84 84 LEU C C 177.999 0.300 1
1008 84 84 LEU CA C 58.568 0.300 1
1009 84 84 LEU CB C 42.067 0.300 1
1010 84 84 LEU CG C 27.211 0.300 1
1011 84 84 LEU CD1 C 26.252 0.300 2
1012 84 84 LEU CD2 C 25.409 0.300 2
1013 84 84 LEU N N 123.715 0.300 1
1014 85 85 GLU H H 7.716 0.020 1
1015 85 85 GLU HA H 3.891 0.020 1
1016 85 85 GLU HB2 H 1.947 0.020 2
1017 85 85 GLU HB3 H 1.897 0.020 2
1018 85 85 GLU HG2 H 2.435 0.020 2
1019 85 85 GLU HG3 H 2.397 0.020 2
1020 85 85 GLU C C 180.081 0.300 1
1021 85 85 GLU CA C 59.325 0.300 1
1022 85 85 GLU CB C 28.698 0.300 1
1023 85 85 GLU CG C 34.324 0.300 1
1024 85 85 GLU CD C 180.390 0.300 1
1025 85 85 GLU N N 118.170 0.300 1
1026 86 86 LEU H H 8.120 0.020 1
1027 86 86 LEU HA H 3.783 0.020 1
1028 86 86 LEU HB2 H 1.570 0.020 2
1029 86 86 LEU HB3 H 1.357 0.020 2
1030 86 86 LEU HG H 1.447 0.020 1
1031 86 86 LEU HD1 H 0.799 0.020 1
1032 86 86 LEU HD2 H 0.803 0.020 1
1033 86 86 LEU C C 179.849 0.300 1
1034 86 86 LEU CA C 57.974 0.300 1
1035 86 86 LEU CB C 42.860 0.300 1
1036 86 86 LEU CG C 26.928 0.300 1
1037 86 86 LEU CD1 C 25.420 0.300 2
1038 86 86 LEU CD2 C 24.710 0.300 2
1039 86 86 LEU N N 122.996 0.300 1
1040 87 87 ALA H H 8.408 0.020 1
1041 87 87 ALA HA H 3.849 0.020 1
1042 87 87 ALA HB H 1.560 0.020 1
1043 87 87 ALA C C 179.067 0.300 1
1044 87 87 ALA CA C 55.503 0.300 1
1045 87 87 ALA CB C 19.148 0.300 1
1046 87 87 ALA N N 122.174 0.300 1
1047 88 88 GLN H H 8.712 0.020 1
1048 88 88 GLN HA H 3.903 0.020 1
1049 88 88 GLN HB2 H 2.133 0.020 2
1050 88 88 GLN HB3 H 1.849 0.020 2
1051 88 88 GLN HG2 H 2.550 0.020 2
1052 88 88 GLN HG3 H 2.233 0.020 2
1053 88 88 GLN HE21 H 7.116 0.020 2
1054 88 88 GLN HE22 H 6.660 0.020 2
1055 88 88 GLN C C 179.253 0.300 1
1056 88 88 GLN CA C 58.893 0.300 1
1057 88 88 GLN CB C 28.423 0.300 1
1058 88 88 GLN CG C 34.676 0.300 1
1059 88 88 GLN CD C 180.377 0.300 1
1060 88 88 GLN N N 115.885 0.300 1
1061 88 88 GLN NE2 N 110.146 0.300 1
1062 89 89 GLY H H 7.940 0.020 1
1063 89 89 GLY HA2 H 3.803 0.020 2
1064 89 89 GLY HA3 H 3.699 0.020 2
1065 89 89 GLY C C 175.011 0.300 1
1066 89 89 GLY CA C 46.040 0.300 1
1067 89 89 GLY N N 106.570 0.300 1
1068 90 90 ALA H H 7.312 0.020 1
1069 90 90 ALA HA H 3.889 0.020 1
1070 90 90 ALA HB H 0.482 0.020 1
1071 90 90 ALA C C 178.995 0.300 1
1072 90 90 ALA CA C 53.244 0.300 1
1073 90 90 ALA CB C 17.196 0.300 1
1074 90 90 ALA N N 122.911 0.300 1
1075 91 91 VAL H H 7.303 0.020 1
1076 91 91 VAL HA H 3.974 0.020 1
1077 91 91 VAL HB H 2.089 0.020 1
1078 91 91 VAL HG1 H 0.974 0.020 1
1079 91 91 VAL HG2 H 0.909 0.020 1
1080 91 91 VAL C C 176.746 0.300 1
1081 91 91 VAL CA C 63.374 0.300 1
1082 91 91 VAL CB C 32.389 0.300 1
1083 91 91 VAL CG1 C 21.586 0.300 2
1084 91 91 VAL CG2 C 21.013 0.300 2
1085 91 91 VAL N N 115.669 0.300 1
1086 92 92 GLY H H 7.938 0.020 1
1087 92 92 GLY HA2 H 3.927 0.020 2
1088 92 92 GLY HA3 H 3.768 0.020 2
1089 92 92 GLY C C 174.264 0.300 1
1090 92 92 GLY CA C 45.246 0.300 1
1091 92 92 GLY N N 109.651 0.300 1
1092 93 93 SER H H 7.987 0.020 1
1093 93 93 SER HA H 4.424 0.020 1
1094 93 93 SER HB2 H 3.810 0.020 2
1095 93 93 SER HB3 H 3.786 0.020 2
1096 93 93 SER C C 174.459 0.300 1
1097 93 93 SER CA C 58.317 0.300 1
1098 93 93 SER CB C 63.831 0.300 1
1099 93 93 SER N N 115.531 0.300 1
1100 94 94 VAL H H 8.007 0.020 1
1101 94 94 VAL HA H 4.099 0.020 1
1102 94 94 VAL HB H 2.038 0.020 1
1103 94 94 VAL HG1 H 0.878 0.020 1
1104 94 94 VAL HG2 H 0.908 0.020 1
1105 94 94 VAL C C 175.882 0.300 1
1106 94 94 VAL CA C 62.067 0.300 1
1107 94 94 VAL CB C 32.740 0.300 1
1108 94 94 VAL CG1 C 21.065 0.300 2
1109 94 94 VAL CG2 C 20.582 0.300 2
1110 94 94 VAL N N 121.513 0.300 1
1111 95 95 GLN H H 8.403 0.020 1
1112 95 95 GLN HA H 4.300 0.020 1
1113 95 95 GLN HB2 H 1.979 0.020 2
1114 95 95 GLN HB3 H 1.881 0.020 2
1115 95 95 GLN HG2 H 2.322 0.020 2
1116 95 95 GLN HG3 H 2.275 0.020 2
1117 95 95 GLN HE21 H 7.117 0.020 2
1118 95 95 GLN HE22 H 6.766 0.020 2
1119 95 95 GLN C C 175.509 0.300 1
1120 95 95 GLN CA C 55.434 0.300 1
1121 95 95 GLN CB C 29.467 0.300 1
1122 95 95 GLN CG C 33.759 0.300 1
1123 95 95 GLN CD C 179.732 0.300 1
1124 95 95 GLN N N 124.557 0.300 1
1125 95 95 GLN NE2 N 110.708 0.300 1
1126 96 96 ILE H H 8.276 0.020 1
1127 96 96 ILE HA H 4.392 0.020 1
1128 96 96 ILE HB H 1.808 0.020 1
1129 96 96 ILE HG12 H 1.454 0.020 2
1130 96 96 ILE HG13 H 1.121 0.020 2
1131 96 96 ILE HG2 H 0.894 0.020 1
1132 96 96 ILE HD1 H 0.799 0.020 1
1133 96 96 ILE CA C 58.645 0.300 1
1134 96 96 ILE CB C 38.611 0.300 1
1135 96 96 ILE CG1 C 27.060 0.300 1
1136 96 96 ILE CG2 C 17.039 0.300 1
1137 96 96 ILE CD1 C 12.648 0.300 1
1138 96 96 ILE N N 125.035 0.300 1
1139 97 97 PRO HA H 4.360 0.020 1
1140 97 97 PRO HB2 H 2.224 0.020 2
1141 97 97 PRO HB3 H 1.815 0.020 2
1142 97 97 PRO HG2 H 1.928 0.020 2
1143 97 97 PRO HG3 H 1.913 0.020 2
1144 97 97 PRO HD2 H 3.735 0.020 2
1145 97 97 PRO HD3 H 3.428 0.020 2
1146 97 97 PRO C C 176.541 0.300 1
1147 97 97 PRO CA C 62.877 0.300 1
1148 97 97 PRO CB C 32.155 0.300 1
1149 97 97 PRO CG C 27.299 0.300 1
1150 97 97 PRO CD C 50.580 0.300 1
1151 98 98 VAL H H 8.259 0.020 1
1152 98 98 VAL HA H 4.009 0.020 1
1153 98 98 VAL HB H 1.961 0.020 1
1154 98 98 VAL HG1 H 0.913 0.020 1
1155 98 98 VAL HG2 H 0.887 0.020 1
1156 98 98 VAL C C 176.114 0.300 1
1157 98 98 VAL CA C 62.250 0.300 1
1158 98 98 VAL CB C 32.744 0.300 1
1159 98 98 VAL CG1 C 21.366 0.300 2
1160 98 98 VAL CG2 C 20.668 0.300 2
1161 98 98 VAL N N 121.752 0.300 1
1162 99 99 VAL H H 8.209 0.020 1
1163 99 99 VAL HA H 4.054 0.020 1
1164 99 99 VAL HB H 1.949 0.020 1
1165 99 99 VAL HG1 H 0.858 0.020 1
1166 99 99 VAL HG2 H 0.853 0.020 1
1167 99 99 VAL C C 175.758 0.300 1
1168 99 99 VAL CA C 62.000 0.300 1
1169 99 99 VAL CB C 33.036 0.300 1
1170 99 99 VAL CG1 C 21.091 0.300 2
1171 99 99 VAL CG2 C 20.469 0.300 2
1172 99 99 VAL N N 125.247 0.300 1
1173 100 100 GLU H H 8.513 0.020 1
1174 100 100 GLU HA H 4.269 0.020 1
1175 100 100 GLU HB2 H 1.963 0.020 2
1176 100 100 GLU HB3 H 1.823 0.020 2
1177 100 100 GLU HG2 H 2.208 0.020 2
1178 100 100 GLU HG3 H 2.134 0.020 2
1179 100 100 GLU C C 176.256 0.300 1
1180 100 100 GLU CA C 56.192 0.300 1
1181 100 100 GLU CB C 30.370 0.300 1
1182 100 100 GLU CG C 36.303 0.300 1
1183 100 100 GLU CD C 183.791 0.300 1
1184 100 100 GLU N N 125.990 0.300 1
1185 101 101 VAL H H 8.218 0.020 1
1186 101 101 VAL HA H 4.056 0.020 1
1187 101 101 VAL HB H 2.004 0.020 1
1188 101 101 VAL HG1 H 0.863 0.020 1
1189 101 101 VAL HG2 H 0.832 0.020 1
1190 101 101 VAL C C 175.633 0.300 1
1191 101 101 VAL CA C 61.772 0.300 1
1192 101 101 VAL CB C 33.005 0.300 1
1193 101 101 VAL CG1 C 21.077 0.300 2
1194 101 101 VAL CG2 C 20.294 0.300 2
1195 101 101 VAL N N 121.213 0.300 1
1196 102 102 ASP H H 8.356 0.020 1
1197 102 102 ASP HA H 4.527 0.020 1
1198 102 102 ASP HB2 H 2.600 0.020 2
1199 102 102 ASP HB3 H 2.482 0.020 2
1200 102 102 ASP C C 175.829 0.300 1
1201 102 102 ASP CA C 54.311 0.300 1
1202 102 102 ASP CB C 41.216 0.300 1
1203 102 102 ASP CG C 180.123 0.300 1
1204 102 102 ASP N N 124.071 0.300 1
1205 103 103 GLU H H 8.210 0.020 1
1206 103 103 GLU HA H 4.456 0.020 1
1207 103 103 GLU HB2 H 2.495 0.020 2
1208 103 103 GLU HB3 H 2.439 0.020 2
1209 103 103 GLU HG2 H 1.993 0.020 2
1210 103 103 GLU HG3 H 1.914 0.020 2
1211 103 103 GLU C C 176.007 0.300 1
1212 103 103 GLU CA C 55.755 0.300 1
1213 103 103 GLU CB C 32.076 0.300 1
1214 103 103 GLU CG C 33.870 0.300 1
1215 103 103 GLU CD C 179.914 0.300 1
1216 103 103 GLU N N 121.314 0.300 1
1217 104 104 LEU H H 8.299 0.020 1
1218 104 104 LEU HA H 4.474 0.020 1
1219 104 104 LEU HB2 H 1.503 0.020 2
1220 104 104 LEU HB3 H 1.311 0.020 2
1221 104 104 LEU HG H 1.524 0.020 1
1222 104 104 LEU HD1 H 0.756 0.020 1
1223 104 104 LEU HD2 H 0.706 0.020 1
1224 104 104 LEU CA C 52.896 0.300 1
1225 104 104 LEU CB C 41.565 0.300 1
1226 104 104 LEU CG C 26.994 0.300 1
1227 104 104 LEU CD1 C 25.137 0.300 2
1228 104 104 LEU CD2 C 23.127 0.300 2
1229 104 104 LEU N N 125.180 0.300 1
1230 105 105 PRO HA H 4.339 0.030 1
1231 105 105 PRO HB2 H 2.219 0.020 2
1232 105 105 PRO HB3 H 1.778 0.020 2
1233 105 105 PRO HG2 H 1.982 0.020 2
1234 105 105 PRO HG3 H 1.908 0.020 2
1235 105 105 PRO HD2 H 3.847 0.020 2
1236 105 105 PRO HD3 H 3.623 0.020 2
1237 105 105 PRO C C 176.861 0.300 1
1238 105 105 PRO CA C 63.381 0.300 1
1239 105 105 PRO CB C 32.271 0.300 1
1240 105 105 PRO CG C 27.455 0.300 1
1241 105 105 PRO CD C 51.142 0.300 1
1242 106 106 GLU H H 8.518 0.020 1
1243 106 106 GLU HA H 4.125 0.020 1
1244 106 106 GLU HB2 H 1.939 0.020 2
1245 106 106 GLU HB3 H 1.912 0.020 2
1246 106 106 GLU HG2 H 2.230 0.020 2
1247 106 106 GLU HG3 H 2.191 0.020 2
1248 106 106 GLU C C 177.373 0.300 1
1249 106 106 GLU CA C 57.236 0.300 1
1250 106 106 GLU CB C 29.917 0.300 1
1251 106 106 GLU CG C 36.077 0.300 1
1252 106 106 GLU CD C 183.462 0.300 1
1253 106 106 GLU N N 121.345 0.300 1
1254 107 107 GLY H H 8.549 0.020 1
1255 107 107 GLY HA2 H 3.937 0.020 2
1256 107 107 GLY HA3 H 3.761 0.020 2
1257 107 107 GLY C C 174.139 0.300 1
1258 107 107 GLY CA C 45.405 0.300 1
1259 107 107 GLY N N 110.807 0.300 1
1260 108 108 TYR H H 7.861 0.020 1
1261 108 108 TYR HA H 4.402 0.020 1
1262 108 108 TYR HB2 H 2.987 0.020 2
1263 108 108 TYR HB3 H 2.940 0.020 2
1264 108 108 TYR HD1 H 7.035 0.020 3
1265 108 108 TYR HD2 H 7.035 0.020 3
1266 108 108 TYR HE1 H 6.771 0.020 3
1267 108 108 TYR HE2 H 6.771 0.020 3
1268 108 108 TYR C C 175.331 0.300 1
1269 108 108 TYR CA C 58.311 0.300 1
1270 108 108 TYR CB C 38.758 0.300 1
1271 108 108 TYR CG C 130.905 0.300 1
1272 108 108 TYR CD1 C 133.442 0.300 3
1273 108 108 TYR CD2 C 132.986 0.300 3
1274 108 108 TYR CE1 C 118.383 0.300 3
1275 108 108 TYR CE2 C 117.933 0.300 3
1276 108 108 TYR CZ C 156.647 0.300 1
1277 108 108 TYR N N 120.156 0.300 1
1278 109 109 ASP H H 8.307 0.020 1
1279 109 109 ASP HA H 4.474 0.020 1
1280 109 109 ASP HB2 H 2.538 0.020 2
1281 109 109 ASP HB3 H 2.503 0.020 2
1282 109 109 ASP C C 175.740 0.300 1
1283 109 109 ASP CA C 53.948 0.300 1
1284 109 109 ASP CB C 40.895 0.300 1
1285 109 109 ASP CG C 180.476 0.300 1
1286 109 109 ASP N N 122.036 0.300 1
1287 110 110 ARG H H 8.053 0.020 1
1288 110 110 ARG HA H 4.328 0.020 1
1289 110 110 ARG HB2 H 1.865 0.020 2
1290 110 110 ARG HB3 H 1.672 0.020 2
1291 110 110 ARG HG2 H 1.581 0.020 2
1292 110 110 ARG HG3 H 1.556 0.020 2
1293 110 110 ARG HD2 H 3.136 0.020 2
1294 110 110 ARG HD3 H 3.118 0.020 2
1295 110 110 ARG C C 175.509 0.300 1
1296 110 110 ARG CA C 55.810 0.300 1
1297 110 110 ARG CB C 30.634 0.300 1
1298 110 110 ARG CG C 27.186 0.300 1
1299 110 110 ARG CD C 43.203 0.300 1
1300 110 110 ARG N N 122.177 0.300 1
1301 111 111 SER H H 8.001 0.020 1
1302 111 111 SER HA H 4.160 0.020 1
1303 111 111 SER HB2 H 3.801 0.020 2
1304 111 111 SER HB3 H 3.781 0.020 2
1305 111 111 SER CA C 60.187 0.300 1
1306 111 111 SER CB C 64.548 0.300 1
1307 111 111 SER N N 122.942 0.300 1
stop_
save_
save_assigned_chem_shift_list_1_2
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$CARA
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'2D 1H-1H NOESY'
stop_
loop_
_Sample_label
$sample_1
$sample_3
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'molecule 2'
_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
1 720 1 MET H H 7.238 0.020 1
2 720 1 MET HA H 4.600 0.020 1
3 720 1 MET HB2 H 1.730 0.020 2
4 720 1 MET HB3 H 1.712 0.020 2
5 720 1 MET HG2 H 2.258 0.020 2
6 720 1 MET HG3 H 2.164 0.020 2
7 720 1 MET HE H 1.950 0.020 1
8 720 1 MET CA C 52.793 0.300 1
9 720 1 MET CB C 30.241 0.300 1
10 720 1 MET CG C 29.176 0.300 1
11 720 1 MET CE C 21.691 0.300 1
12 721 2 GLU H H 8.706 0.020 1
13 721 2 GLU HA H 3.911 0.020 1
14 721 2 GLU HB2 H 1.947 0.020 2
15 721 2 GLU HB3 H 1.741 0.020 2
16 721 2 GLU HG2 H 2.413 0.020 2
17 721 2 GLU HG3 H 2.178 0.020 2
18 721 2 GLU CA C 53.711 0.300 1
19 721 2 GLU CB C 27.505 0.300 1
20 721 2 GLU CG C 33.443 0.300 1
21 722 3 GLU H H 8.448 0.020 1
22 722 3 GLU HA H 3.911 0.020 1
23 722 3 GLU HB2 H 1.947 0.020 2
24 722 3 GLU HB3 H 1.878 0.020 2
25 722 3 GLU HG2 H 2.287 0.020 2
26 722 3 GLU HG3 H 2.106 0.020 2
27 722 3 GLU CA C 53.574 0.300 1
28 722 3 GLU CB C 27.432 0.300 1
29 722 3 GLU CG C 33.549 0.300 1
30 723 4 VAL H H 8.061 0.020 1
31 723 4 VAL HA H 3.893 0.020 1
32 723 4 VAL HB H 1.679 0.020 1
33 723 4 VAL HG1 H 0.963 0.020 2
34 723 4 VAL HG2 H 0.789 0.020 2
35 723 4 VAL CA C 59.019 0.300 1
36 723 4 VAL CB C 30.488 0.300 1
37 723 4 VAL CG1 C 18.475 0.300 2
38 723 4 VAL CG2 C 17.102 0.300 2
39 724 5 ASP H H 7.827 0.020 1
40 724 5 ASP HA H 4.598 0.020 1
41 724 5 ASP HB2 H 2.258 0.020 2
42 724 5 ASP HB3 H 2.160 0.020 2
43 724 5 ASP CA C 53.193 0.300 1
44 724 5 ASP CB C 39.455 0.300 1
stop_
save_