data_17241
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 17241
_Entry.Title
;
YAP WW2
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-10-07
_Entry.Accession_date 2010-10-07
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.13
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Details 'Solution structure of the second WW domain of YAP from medaka fish.'
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Claire Webb . . . 17241
2 Abhishek Upadhyay . . . 17241
3 Makoto Furutani-Seiki . . . 17241
4 Stefan Bagby . . . 17241
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
. 'not applicable' 'not applicable' . 17241
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
Medaka . 17241
'WW domain' . 17241
YAP . 17241
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 17241
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 193 17241
'15N chemical shifts' 46 17241
'1H chemical shifts' 264 17241
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
2 . . 2011-04-21 2010-10-07 update BMRB 'update entry citation' 17241
1 . . 2011-03-30 2010-10-07 original author 'original release' 17241
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2L4J 'BMRB Entry Tracking System' 17241
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 17241
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 21417403
_Citation.Full_citation .
_Citation.Title 'Structural Features and Ligand Binding Properties of Tandem WW Domains from YAP and TAZ, Nuclear Effectors of the Hippo Pathway.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev Biochemistry
_Citation.Journal_name_full Biochemistry
_Citation.Journal_volume 50
_Citation.Journal_issue 16
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first 3300
_Citation.Page_last 3309
_Citation.Year 2011
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Claire Webb . . . 17241 1
2 Abhishek Upadhyay . . . 17241 1
3 Francesca Giuntini . . . 17241 1
4 Ian Eggleston . . . 17241 1
5 Makoto Furutani-Seiki . . . 17241 1
6 Rieko Ishima . . . 17241 1
7 Stefan Bagby . . . 17241 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 17241
_Assembly.ID 1
_Assembly.Name YAP
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 YAP 1 $YAP A . yes native no no . . . 17241 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_YAP
_Entity.Sf_category entity
_Entity.Sf_framecode YAP
_Entity.Entry_ID 17241
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name entity
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GSPNSSPASGPLPEGWEQAI
TPEGEIYYINHKNKTTSWLD
PRLETR
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details 'The first 5 residues (residues 177-181) are remains of a non-native affinity tag.'
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 46
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment 'Second WW domain of the Yes-associated protein (YAP)'
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 5130.625
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2014-05-12
loop_
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
no PDB 2L4J . "Yap Ww2" . . . . . 100.00 46 100.00 100.00 3.04e-24 . . . . 17241 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 177 GLY . 17241 1
2 178 SER . 17241 1
3 179 PRO . 17241 1
4 180 ASN . 17241 1
5 181 SER . 17241 1
6 182 SER . 17241 1
7 183 PRO . 17241 1
8 184 ALA . 17241 1
9 185 SER . 17241 1
10 186 GLY . 17241 1
11 187 PRO . 17241 1
12 188 LEU . 17241 1
13 189 PRO . 17241 1
14 190 GLU . 17241 1
15 191 GLY . 17241 1
16 192 TRP . 17241 1
17 193 GLU . 17241 1
18 194 GLN . 17241 1
19 195 ALA . 17241 1
20 196 ILE . 17241 1
21 197 THR . 17241 1
22 198 PRO . 17241 1
23 199 GLU . 17241 1
24 200 GLY . 17241 1
25 201 GLU . 17241 1
26 202 ILE . 17241 1
27 203 TYR . 17241 1
28 204 TYR . 17241 1
29 205 ILE . 17241 1
30 206 ASN . 17241 1
31 207 HIS . 17241 1
32 208 LYS . 17241 1
33 209 ASN . 17241 1
34 210 LYS . 17241 1
35 211 THR . 17241 1
36 212 THR . 17241 1
37 213 SER . 17241 1
38 214 TRP . 17241 1
39 215 LEU . 17241 1
40 216 ASP . 17241 1
41 217 PRO . 17241 1
42 218 ARG . 17241 1
43 219 LEU . 17241 1
44 220 GLU . 17241 1
45 221 THR . 17241 1
46 222 ARG . 17241 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 17241 1
. SER 2 2 17241 1
. PRO 3 3 17241 1
. ASN 4 4 17241 1
. SER 5 5 17241 1
. SER 6 6 17241 1
. PRO 7 7 17241 1
. ALA 8 8 17241 1
. SER 9 9 17241 1
. GLY 10 10 17241 1
. PRO 11 11 17241 1
. LEU 12 12 17241 1
. PRO 13 13 17241 1
. GLU 14 14 17241 1
. GLY 15 15 17241 1
. TRP 16 16 17241 1
. GLU 17 17 17241 1
. GLN 18 18 17241 1
. ALA 19 19 17241 1
. ILE 20 20 17241 1
. THR 21 21 17241 1
. PRO 22 22 17241 1
. GLU 23 23 17241 1
. GLY 24 24 17241 1
. GLU 25 25 17241 1
. ILE 26 26 17241 1
. TYR 27 27 17241 1
. TYR 28 28 17241 1
. ILE 29 29 17241 1
. ASN 30 30 17241 1
. HIS 31 31 17241 1
. LYS 32 32 17241 1
. ASN 33 33 17241 1
. LYS 34 34 17241 1
. THR 35 35 17241 1
. THR 36 36 17241 1
. SER 37 37 17241 1
. TRP 38 38 17241 1
. LEU 39 39 17241 1
. ASP 40 40 17241 1
. PRO 41 41 17241 1
. ARG 42 42 17241 1
. LEU 43 43 17241 1
. GLU 44 44 17241 1
. THR 45 45 17241 1
. ARG 46 46 17241 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 17241
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $YAP . 8090 organism . 'Oryzias latipes' 'Japanese medaka' . . Eukaryota Metazoa Oryzias latipes . . . . . . . . . . . . . . . . . . . . . 17241 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source
_Entity_experimental_src_list.Entry_ID 17241
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $YAP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pSV281 . . . . . . 17241 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 17241
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '93% H2O/7% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17241 1
2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17241 1
3 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 17241 1
4 'YAP WW2 protein' [U-15N] . . 1 $YAP . . . 400 600 mM . . . . 17241 1
5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17241 1
6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17241 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 17241
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '93% H2O/7% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17241 2
2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17241 2
3 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 17241 2
4 'YAP WW2 protein' '[U-13C; U-15N]' . . 1 $YAP . . . 400 600 mM . . . . 17241 2
5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17241 2
6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17241 2
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 17241
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0.2 . M 17241 1
pH 5.5 . pH 17241 1
pressure 1 . atm 17241 1
temperature 273 . K 17241 1
stop_
save_
############################
# Computer software used #
############################
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 17241
_Software.ID 1
_Software.Name NMRPipe
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17241 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 17241 1
stop_
save_
save_CCPN_Analysis
_Software.Sf_category software
_Software.Sf_framecode CCPN_Analysis
_Software.Entry_ID 17241
_Software.ID 2
_Software.Name CCPN_Analysis
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
CCPN . . 17241 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 17241 2
'data analysis' 17241 2
'peak picking' 17241 2
stop_
save_
save_X-PLOR_NIH
_Software.Sf_category software
_Software.Sf_framecode X-PLOR_NIH
_Software.Entry_ID 17241
_Software.ID 3
_Software.Name 'X-PLOR NIH'
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Schwieters, Kuszewski, Tjandra and Clore' . . 17241 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 17241 3
'structure solution' 17241 3
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 17241
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model 'Unity INOVA'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 17241
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Varian 'Unity INOVA' . 600 . . . 17241 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 17241
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17241 1
2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17241 1
3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17241 1
4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17241 1
5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17241 1
6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17241 1
7 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17241 1
8 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17241 1
9 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17241 1
10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17241 1
11 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17241 1
12 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17241 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 17241
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17241 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17241 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17241 1
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
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 17241
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 17241 1
5 '3D HNCO' . . . 17241 1
6 '3D HNCACB' . . . 17241 1
9 '3D HCCH-COSY' . . . 17241 1
10 '3D HCCH-TOCSY' . . . 17241 1
11 '3D HNHA' . . . 17241 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY H H 1 7.882 0.02 . 1 . . . . 177 G H . 17241 1
2 . 1 1 1 1 GLY HA2 H 1 3.854 0.02 . 1 . . . . 177 G HA2 . 17241 1
3 . 1 1 1 1 GLY C C 13 173.598 0.05 . 1 . . . . 177 G C . 17241 1
4 . 1 1 1 1 GLY CA C 13 45.322 0.05 . 1 . . . . 177 G CA . 17241 1
5 . 1 1 1 1 GLY N N 15 109.844 0.05 . 1 . . . . 177 G N . 17241 1
6 . 1 1 2 2 SER H H 1 8.116 0.02 . 1 . . . . 178 S H . 17241 1
7 . 1 1 2 2 SER HA H 1 4.687 0.02 . 1 . . . . 178 S HA . 17241 1
8 . 1 1 2 2 SER HB2 H 1 3.788 0.02 . 2 . . . . 178 S HB2 . 17241 1
9 . 1 1 2 2 SER C C 13 173.625 0.05 . 1 . . . . 178 S C . 17241 1
10 . 1 1 2 2 SER CA C 13 56.378 0.05 . 1 . . . . 178 S CA . 17241 1
11 . 1 1 2 2 SER CB C 13 63.626 0.05 . 1 . . . . 178 S CB . 17241 1
12 . 1 1 2 2 SER N N 15 116.883 0.05 . 1 . . . . 178 S N . 17241 1
13 . 1 1 3 3 PRO HA H 1 4.370 0.02 . 1 . . . . 179 P HA . 17241 1
14 . 1 1 3 3 PRO HB2 H 1 1.879 0.02 . 2 . . . . 179 P HB2 . 17241 1
15 . 1 1 3 3 PRO HB3 H 1 2.171 0.02 . 2 . . . . 179 P HB3 . 17241 1
16 . 1 1 3 3 PRO HD2 H 1 3.677 0.02 . 2 . . . . 179 P HD2 . 17241 1
17 . 1 1 3 3 PRO C C 13 176.740 0.05 . 1 . . . . 179 P C . 17241 1
18 . 1 1 3 3 PRO CA C 13 63.760 0.05 . 1 . . . . 179 P CA . 17241 1
19 . 1 1 3 3 PRO CB C 13 32.262 0.05 . 1 . . . . 179 P CB . 17241 1
20 . 1 1 4 4 ASN H H 1 8.344 0.02 . 1 . . . . 180 N H . 17241 1
21 . 1 1 4 4 ASN HA H 1 4.633 0.02 . 1 . . . . 180 N HA . 17241 1
22 . 1 1 4 4 ASN HB2 H 1 2.710 0.02 . 2 . . . . 180 N HB2 . 17241 1
23 . 1 1 4 4 ASN HB3 H 1 2.812 0.02 . 2 . . . . 180 N HB3 . 17241 1
24 . 1 1 4 4 ASN HD21 H 1 6.900 0.02 . 2 . . . . 180 N HD21 . 17241 1
25 . 1 1 4 4 ASN HD22 H 1 7.549 0.02 . 2 . . . . 180 N HD22 . 17241 1
26 . 1 1 4 4 ASN C C 13 175.065 0.05 . 1 . . . . 180 N C . 17241 1
27 . 1 1 4 4 ASN CA C 13 53.527 0.05 . 1 . . . . 180 N CA . 17241 1
28 . 1 1 4 4 ASN CB C 13 39.036 0.05 . 1 . . . . 180 N CB . 17241 1
29 . 1 1 4 4 ASN N N 15 118.206 0.05 . 1 . . . . 180 N N . 17241 1
30 . 1 1 4 4 ASN ND2 N 15 113.236 0.05 . 1 . . . . 180 N ND2 . 17241 1
31 . 1 1 5 5 SER H H 1 8.073 0.02 . 1 . . . . 181 S H . 17241 1
32 . 1 1 5 5 SER HA H 1 4.424 0.02 . 1 . . . . 181 S HA . 17241 1
33 . 1 1 5 5 SER HB2 H 1 3.828 0.02 . 2 . . . . 181 S HB2 . 17241 1
34 . 1 1 5 5 SER C C 13 174.090 0.05 . 1 . . . . 181 S C . 17241 1
35 . 1 1 5 5 SER CA C 13 58.340 0.05 . 1 . . . . 181 S CA . 17241 1
36 . 1 1 5 5 SER CB C 13 64.046 0.05 . 1 . . . . 181 S CB . 17241 1
37 . 1 1 5 5 SER N N 15 116.074 0.05 . 1 . . . . 181 S N . 17241 1
38 . 1 1 6 6 SER H H 1 8.248 0.02 . 1 . . . . 182 S H . 17241 1
39 . 1 1 6 6 SER HA H 1 4.710 0.02 . 1 . . . . 182 S HA . 17241 1
40 . 1 1 6 6 SER HB2 H 1 3.794 0.02 . 2 . . . . 182 S HB2 . 17241 1
41 . 1 1 6 6 SER CA C 13 56.437 0.05 . 1 . . . . 182 S CA . 17241 1
42 . 1 1 6 6 SER CB C 13 63.585 0.05 . 1 . . . . 182 S CB . 17241 1
43 . 1 1 6 6 SER N N 15 118.893 0.05 . 1 . . . . 182 S N . 17241 1
44 . 1 1 7 7 PRO HA H 1 4.366 0.02 . 1 . . . . 183 P HA . 17241 1
45 . 1 1 7 7 PRO HB2 H 1 1.875 0.02 . 2 . . . . 183 P HB2 . 17241 1
46 . 1 1 7 7 PRO HB3 H 1 2.197 0.02 . 2 . . . . 183 P HB3 . 17241 1
47 . 1 1 7 7 PRO HD2 H 1 3.635 0.02 . 2 . . . . 183 P HD2 . 17241 1
48 . 1 1 7 7 PRO HD3 H 1 3.781 0.02 . 2 . . . . 183 P HD3 . 17241 1
49 . 1 1 7 7 PRO C C 13 176.756 0.05 . 1 . . . . 183 P C . 17241 1
50 . 1 1 7 7 PRO CA C 13 63.595 0.05 . 1 . . . . 183 P CA . 17241 1
51 . 1 1 7 7 PRO CB C 13 32.314 0.05 . 1 . . . . 183 P CB . 17241 1
52 . 1 1 7 7 PRO CD C 13 50.695 0.05 . 1 . . . . 183 P CD . 17241 1
53 . 1 1 7 7 PRO CG C 13 27.317 0.05 . 1 . . . . 183 P CG . 17241 1
54 . 1 1 8 8 ALA H H 1 8.230 0.02 . 1 . . . . 184 A H . 17241 1
55 . 1 1 8 8 ALA HA H 1 4.226 0.02 . 1 . . . . 184 A HA . 17241 1
56 . 1 1 8 8 ALA HB1 H 1 1.257 0.02 . 1 . . . . 184 A HB1 . 17241 1
57 . 1 1 8 8 ALA HB2 H 1 1.257 0.02 . 1 . . . . 184 A HB2 . 17241 1
58 . 1 1 8 8 ALA HB3 H 1 1.257 0.02 . 1 . . . . 184 A HB3 . 17241 1
59 . 1 1 8 8 ALA C C 13 177.228 0.05 . 1 . . . . 184 A C . 17241 1
60 . 1 1 8 8 ALA CA C 13 52.582 0.05 . 1 . . . . 184 A CA . 17241 1
61 . 1 1 8 8 ALA CB C 13 19.353 0.05 . 1 . . . . 184 A CB . 17241 1
62 . 1 1 8 8 ALA N N 15 124.061 0.05 . 1 . . . . 184 A N . 17241 1
63 . 1 1 9 9 SER H H 1 8.093 0.02 . 1 . . . . 185 S H . 17241 1
64 . 1 1 9 9 SER HA H 1 4.463 0.02 . 1 . . . . 185 S HA . 17241 1
65 . 1 1 9 9 SER HB2 H 1 3.788 0.02 . 2 . . . . 185 S HB2 . 17241 1
66 . 1 1 9 9 SER C C 13 174.505 0.05 . 1 . . . . 185 S C . 17241 1
67 . 1 1 9 9 SER CA C 13 58.205 0.05 . 1 . . . . 185 S CA . 17241 1
68 . 1 1 9 9 SER CB C 13 64.590 0.05 . 1 . . . . 185 S CB . 17241 1
69 . 1 1 9 9 SER N N 15 114.384 0.05 . 1 . . . . 185 S N . 17241 1
70 . 1 1 10 10 GLY H H 1 8.125 0.02 . 1 . . . . 186 G H . 17241 1
71 . 1 1 10 10 GLY HA2 H 1 4.024 0.02 . 2 . . . . 186 G HA2 . 17241 1
72 . 1 1 10 10 GLY HA3 H 1 4.099 0.02 . 2 . . . . 186 G HA3 . 17241 1
73 . 1 1 10 10 GLY C C 13 171.346 0.05 . 1 . . . . 186 G C . 17241 1
74 . 1 1 10 10 GLY CA C 13 44.727 0.05 . 1 . . . . 186 G CA . 17241 1
75 . 1 1 10 10 GLY N N 15 110.370 0.05 . 1 . . . . 186 G N . 17241 1
76 . 1 1 11 11 PRO HA H 1 4.424 0.02 . 1 . . . . 187 P HA . 17241 1
77 . 1 1 11 11 PRO HB2 H 1 1.877 0.02 . 2 . . . . 187 P HB2 . 17241 1
78 . 1 1 11 11 PRO HB3 H 1 2.217 0.02 . 2 . . . . 187 P HB3 . 17241 1
79 . 1 1 11 11 PRO HD3 H 1 3.383 0.02 . 2 . . . . 187 P HD3 . 17241 1
80 . 1 1 11 11 PRO CA C 13 62.717 0.05 . 1 . . . . 187 P CA . 17241 1
81 . 1 1 11 11 PRO CB C 13 32.272 0.05 . 1 . . . . 187 P CB . 17241 1
82 . 1 1 11 11 PRO CD C 13 49.816 0.05 . 1 . . . . 187 P CD . 17241 1
83 . 1 1 11 11 PRO CG C 13 26.895 0.05 . 1 . . . . 187 P CG . 17241 1
84 . 1 1 12 12 LEU H H 1 8.566 0.02 . 1 . . . . 188 L H . 17241 1
85 . 1 1 12 12 LEU HA H 1 4.163 0.02 . 1 . . . . 188 L HA . 17241 1
86 . 1 1 12 12 LEU HB2 H 1 1.354 0.02 . 2 . . . . 188 L HB2 . 17241 1
87 . 1 1 12 12 LEU HB3 H 1 1.740 0.02 . 2 . . . . 188 L HB3 . 17241 1
88 . 1 1 12 12 LEU HD11 H 1 0.735 0.02 . 2 . . . . 188 L HD11 . 17241 1
89 . 1 1 12 12 LEU HD12 H 1 0.735 0.02 . 2 . . . . 188 L HD12 . 17241 1
90 . 1 1 12 12 LEU HD13 H 1 0.735 0.02 . 2 . . . . 188 L HD13 . 17241 1
91 . 1 1 12 12 LEU HG H 1 1.006 0.02 . 1 . . . . 188 L HG . 17241 1
92 . 1 1 12 12 LEU CA C 13 53.572 0.05 . 1 . . . . 188 L CA . 17241 1
93 . 1 1 12 12 LEU CB C 13 41.443 0.05 . 1 . . . . 188 L CB . 17241 1
94 . 1 1 12 12 LEU CD1 C 13 24.144 0.05 . 2 . . . . 188 L CD1 . 17241 1
95 . 1 1 12 12 LEU CG C 13 26.800 0.05 . 1 . . . . 188 L CG . 17241 1
96 . 1 1 12 12 LEU N N 15 122.659 0.05 . 1 . . . . 188 L N . 17241 1
97 . 1 1 13 13 PRO HA H 1 4.428 0.02 . 1 . . . . 189 P HA . 17241 1
98 . 1 1 13 13 PRO HB2 H 1 1.956 0.02 . 2 . . . . 189 P HB2 . 17241 1
99 . 1 1 13 13 PRO HB3 H 1 2.421 0.02 . 2 . . . . 189 P HB3 . 17241 1
100 . 1 1 13 13 PRO HD2 H 1 2.923 0.02 . 2 . . . . 189 P HD2 . 17241 1
101 . 1 1 13 13 PRO HD3 H 1 3.400 0.02 . 2 . . . . 189 P HD3 . 17241 1
102 . 1 1 13 13 PRO HG2 H 1 1.535 0.02 . 2 . . . . 189 P HG2 . 17241 1
103 . 1 1 13 13 PRO HG3 H 1 1.722 0.02 . 2 . . . . 189 P HG3 . 17241 1
104 . 1 1 13 13 PRO C C 13 175.569 0.05 . 1 . . . . 189 P C . 17241 1
105 . 1 1 13 13 PRO CA C 13 62.323 0.05 . 1 . . . . 189 P CA . 17241 1
106 . 1 1 13 13 PRO CB C 13 31.670 0.05 . 1 . . . . 189 P CB . 17241 1
107 . 1 1 13 13 PRO CD C 13 50.292 0.05 . 1 . . . . 189 P CD . 17241 1
108 . 1 1 13 13 PRO CG C 13 27.322 0.05 . 1 . . . . 189 P CG . 17241 1
109 . 1 1 14 14 GLU H H 1 8.417 0.02 . 1 . . . . 190 E H . 17241 1
110 . 1 1 14 14 GLU HA H 1 4.060 0.02 . 1 . . . . 190 E HA . 17241 1
111 . 1 1 14 14 GLU HB2 H 1 1.950 0.02 . 2 . . . . 190 E HB2 . 17241 1
112 . 1 1 14 14 GLU HB3 H 1 2.067 0.02 . 2 . . . . 190 E HB3 . 17241 1
113 . 1 1 14 14 GLU HG2 H 1 2.238 0.02 . 2 . . . . 190 E HG2 . 17241 1
114 . 1 1 14 14 GLU HG3 H 1 2.313 0.02 . 2 . . . . 190 E HG3 . 17241 1
115 . 1 1 14 14 GLU C C 13 177.197 0.05 . 1 . . . . 190 E C . 17241 1
116 . 1 1 14 14 GLU CA C 13 58.539 0.05 . 1 . . . . 190 E CA . 17241 1
117 . 1 1 14 14 GLU CB C 13 30.026 0.05 . 1 . . . . 190 E CB . 17241 1
118 . 1 1 14 14 GLU CG C 13 36.219 0.05 . 1 . . . . 190 E CG . 17241 1
119 . 1 1 14 14 GLU N N 15 121.570 0.05 . 1 . . . . 190 E N . 17241 1
120 . 1 1 15 15 GLY H H 1 8.826 0.02 . 1 . . . . 191 G H . 17241 1
121 . 1 1 15 15 GLY HA2 H 1 3.648 0.02 . 2 . . . . 191 G HA2 . 17241 1
122 . 1 1 15 15 GLY HA3 H 1 4.190 0.02 . 2 . . . . 191 G HA3 . 17241 1
123 . 1 1 15 15 GLY C C 13 173.377 0.05 . 1 . . . . 191 G C . 17241 1
124 . 1 1 15 15 GLY CA C 13 45.242 0.05 . 1 . . . . 191 G CA . 17241 1
125 . 1 1 15 15 GLY N N 15 113.873 0.05 . 1 . . . . 191 G N . 17241 1
126 . 1 1 16 16 TRP H H 1 7.872 0.02 . 1 . . . . 192 W H . 17241 1
127 . 1 1 16 16 TRP HA H 1 5.563 0.02 . 1 . . . . 192 W HA . 17241 1
128 . 1 1 16 16 TRP HB2 H 1 2.929 0.02 . 2 . . . . 192 W HB2 . 17241 1
129 . 1 1 16 16 TRP HB3 H 1 3.232 0.02 . 2 . . . . 192 W HB3 . 17241 1
130 . 1 1 16 16 TRP HD1 H 1 7.006 0.02 . 1 . . . . 192 W HD1 . 17241 1
131 . 1 1 16 16 TRP HE1 H 1 10.337 0.02 . 1 . . . . 192 W HE1 . 17241 1
132 . 1 1 16 16 TRP HE3 H 1 7.332 0.02 . 1 . . . . 192 W HE3 . 17241 1
133 . 1 1 16 16 TRP HH2 H 1 7.078 0.02 . 1 . . . . 192 W HH2 . 17241 1
134 . 1 1 16 16 TRP HZ2 H 1 7.495 0.02 . 3 . . . . 192 W HZ2 . 17241 1
135 . 1 1 16 16 TRP HZ3 H 1 6.771 0.02 . 3 . . . . 192 W HZ3 . 17241 1
136 . 1 1 16 16 TRP C C 13 176.355 0.05 . 1 . . . . 192 W C . 17241 1
137 . 1 1 16 16 TRP CA C 13 56.852 0.05 . 1 . . . . 192 W CA . 17241 1
138 . 1 1 16 16 TRP CB C 13 32.170 0.05 . 1 . . . . 192 W CB . 17241 1
139 . 1 1 16 16 TRP CD1 C 13 126.16 0.05 . 1 . . . . 192 W CD1 . 17241 1
140 . 1 1 16 16 TRP CE3 C 13 120.38 0.05 . 1 . . . . 192 W CE3 . 17241 1
141 . 1 1 16 16 TRP CH2 C 13 123.75 0.05 . 1 . . . . 192 W CH2 . 17241 1
142 . 1 1 16 16 TRP CZ2 C 13 114.19 0.05 . 2 . . . . 192 W CZ2 . 17241 1
143 . 1 1 16 16 TRP CZ3 C 13 121.57 0.05 . 2 . . . . 192 W CZ3 . 17241 1
144 . 1 1 16 16 TRP N N 15 119.088 0.05 . 1 . . . . 192 W N . 17241 1
145 . 1 1 16 16 TRP NE1 N 15 130.172 0.05 . 1 . . . . 192 W NE1 . 17241 1
146 . 1 1 17 17 GLU H H 1 9.315 0.02 . 1 . . . . 193 E H . 17241 1
147 . 1 1 17 17 GLU HA H 1 4.697 0.02 . 1 . . . . 193 E HA . 17241 1
148 . 1 1 17 17 GLU HB2 H 1 1.996 0.02 . 2 . . . . 193 E HB2 . 17241 1
149 . 1 1 17 17 GLU HG2 H 1 2.266 0.02 . 2 . . . . 193 E HG2 . 17241 1
150 . 1 1 17 17 GLU C C 13 174.189 0.05 . 1 . . . . 193 E C . 17241 1
151 . 1 1 17 17 GLU CA C 13 54.946 0.05 . 1 . . . . 193 E CA . 17241 1
152 . 1 1 17 17 GLU CB C 13 34.746 0.05 . 1 . . . . 193 E CB . 17241 1
153 . 1 1 17 17 GLU CG C 13 36.179 0.05 . 1 . . . . 193 E CG . 17241 1
154 . 1 1 17 17 GLU N N 15 121.155 0.05 . 1 . . . . 193 E N . 17241 1
155 . 1 1 18 18 GLN H H 1 8.868 0.02 . 1 . . . . 194 Q H . 17241 1
156 . 1 1 18 18 GLN HA H 1 4.453 0.02 . 1 . . . . 194 Q HA . 17241 1
157 . 1 1 18 18 GLN HB2 H 1 1.912 0.02 . 2 . . . . 194 Q HB2 . 17241 1
158 . 1 1 18 18 GLN HE21 H 1 6.966 0.02 . 2 . . . . 194 Q HE21 . 17241 1
159 . 1 1 18 18 GLN HE22 H 1 7.074 0.02 . 2 . . . . 194 Q HE22 . 17241 1
160 . 1 1 18 18 GLN HG2 H 1 2.014 0.02 . 2 . . . . 194 Q HG2 . 17241 1
161 . 1 1 18 18 GLN C C 13 173.530 0.05 . 1 . . . . 194 Q C . 17241 1
162 . 1 1 18 18 GLN CA C 13 55.599 0.05 . 1 . . . . 194 Q CA . 17241 1
163 . 1 1 18 18 GLN CB C 13 31.294 0.05 . 1 . . . . 194 Q CB . 17241 1
164 . 1 1 18 18 GLN CG C 13 34.813 0.05 . 1 . . . . 194 Q CG . 17241 1
165 . 1 1 18 18 GLN N N 15 125.086 0.05 . 1 . . . . 194 Q N . 17241 1
166 . 1 1 18 18 GLN NE2 N 15 112.387 0.05 . 1 . . . . 194 Q NE2 . 17241 1
167 . 1 1 19 19 ALA H H 1 8.710 0.02 . 1 . . . . 195 A H . 17241 1
168 . 1 1 19 19 ALA HA H 1 4.386 0.02 . 1 . . . . 195 A HA . 17241 1
169 . 1 1 19 19 ALA HB1 H 1 0.450 0.02 . 1 . . . . 195 A HB1 . 17241 1
170 . 1 1 19 19 ALA HB2 H 1 0.450 0.02 . 1 . . . . 195 A HB2 . 17241 1
171 . 1 1 19 19 ALA HB3 H 1 0.450 0.02 . 1 . . . . 195 A HB3 . 17241 1
172 . 1 1 19 19 ALA C C 13 173.778 0.05 . 1 . . . . 195 A C . 17241 1
173 . 1 1 19 19 ALA CA C 13 50.826 0.05 . 1 . . . . 195 A CA . 17241 1
174 . 1 1 19 19 ALA CB C 13 22.004 0.05 . 1 . . . . 195 A CB . 17241 1
175 . 1 1 19 19 ALA N N 15 131.851 0.05 . 1 . . . . 195 A N . 17241 1
176 . 1 1 20 20 ILE H H 1 7.758 0.02 . 1 . . . . 196 I H . 17241 1
177 . 1 1 20 20 ILE HA H 1 5.232 0.02 . 1 . . . . 196 I HA . 17241 1
178 . 1 1 20 20 ILE HB H 1 1.517 0.02 . 1 . . . . 196 I HB . 17241 1
179 . 1 1 20 20 ILE HD11 H 1 0.738 0.02 . 2 . . . . 196 I HD11 . 17241 1
180 . 1 1 20 20 ILE HD12 H 1 0.738 0.02 . 2 . . . . 196 I HD12 . 17241 1
181 . 1 1 20 20 ILE HD13 H 1 0.738 0.02 . 2 . . . . 196 I HD13 . 17241 1
182 . 1 1 20 20 ILE HG12 H 1 1.060 0.02 . 2 . . . . 196 I HG12 . 17241 1
183 . 1 1 20 20 ILE HG13 H 1 1.306 0.02 . 2 . . . . 196 I HG13 . 17241 1
184 . 1 1 20 20 ILE HG21 H 1 0.834 0.02 . 2 . . . . 196 I HG21 . 17241 1
185 . 1 1 20 20 ILE HG22 H 1 0.834 0.02 . 2 . . . . 196 I HG22 . 17241 1
186 . 1 1 20 20 ILE HG23 H 1 0.834 0.02 . 2 . . . . 196 I HG23 . 17241 1
187 . 1 1 20 20 ILE C C 13 176.970 0.05 . 1 . . . . 196 I C . 17241 1
188 . 1 1 20 20 ILE CA C 13 59.375 0.05 . 1 . . . . 196 I CA . 17241 1
189 . 1 1 20 20 ILE CB C 13 41.690 0.05 . 1 . . . . 196 I CB . 17241 1
190 . 1 1 20 20 ILE CD1 C 13 13.689 0.05 . 1 . . . . 196 I CD1 . 17241 1
191 . 1 1 20 20 ILE CG1 C 13 27.521 0.05 . 2 . . . . 196 I CG1 . 17241 1
192 . 1 1 20 20 ILE CG2 C 13 16.641 0.05 . 2 . . . . 196 I CG2 . 17241 1
193 . 1 1 20 20 ILE N N 15 116.628 0.05 . 1 . . . . 196 I N . 17241 1
194 . 1 1 21 21 THR H H 1 9.362 0.02 . 1 . . . . 197 T H . 17241 1
195 . 1 1 21 21 THR HB H 1 4.866 0.02 . 1 . . . . 197 T HB . 17241 1
196 . 1 1 21 21 THR CA C 13 60.685 0.05 . 1 . . . . 197 T CA . 17241 1
197 . 1 1 21 21 THR CB C 13 69.240 0.05 . 1 . . . . 197 T CB . 17241 1
198 . 1 1 21 21 THR N N 15 119.292 0.05 . 1 . . . . 197 T N . 17241 1
199 . 1 1 22 22 PRO HA H 1 4.336 0.02 . 1 . . . . 198 P HA . 17241 1
200 . 1 1 22 22 PRO C C 13 177.224 0.05 . 1 . . . . 198 P C . 17241 1
201 . 1 1 22 22 PRO CA C 13 65.461 0.05 . 1 . . . . 198 P CA . 17241 1
202 . 1 1 22 22 PRO CB C 13 31.783 0.05 . 1 . . . . 198 P CB . 17241 1
203 . 1 1 22 22 PRO CG C 13 27.874 0.05 . 1 . . . . 198 P CG . 17241 1
204 . 1 1 23 23 GLU H H 1 7.496 0.02 . 1 . . . . 199 E H . 17241 1
205 . 1 1 23 23 GLU HA H 1 4.314 0.02 . 1 . . . . 199 E HA . 17241 1
206 . 1 1 23 23 GLU HB2 H 1 1.931 0.02 . 2 . . . . 199 E HB2 . 17241 1
207 . 1 1 23 23 GLU HB3 H 1 2.220 0.02 . 2 . . . . 199 E HB3 . 17241 1
208 . 1 1 23 23 GLU HG2 H 1 2.214 0.02 . 2 . . . . 199 E HG2 . 17241 1
209 . 1 1 23 23 GLU HG3 H 1 2.392 0.02 . 2 . . . . 199 E HG3 . 17241 1
210 . 1 1 23 23 GLU C C 13 176.675 0.05 . 1 . . . . 199 E C . 17241 1
211 . 1 1 23 23 GLU CA C 13 56.835 0.05 . 1 . . . . 199 E CA . 17241 1
212 . 1 1 23 23 GLU CB C 13 29.458 0.05 . 1 . . . . 199 E CB . 17241 1
213 . 1 1 23 23 GLU CG C 13 37.099 0.05 . 1 . . . . 199 E CG . 17241 1
214 . 1 1 23 23 GLU N N 15 112.803 0.05 . 1 . . . . 199 E N . 17241 1
215 . 1 1 24 24 GLY H H 1 8.296 0.02 . 1 . . . . 200 G H . 17241 1
216 . 1 1 24 24 GLY HA2 H 1 3.512 0.02 . 2 . . . . 200 G HA2 . 17241 1
217 . 1 1 24 24 GLY HA3 H 1 4.206 0.02 . 2 . . . . 200 G HA3 . 17241 1
218 . 1 1 24 24 GLY C C 13 174.209 0.05 . 1 . . . . 200 G C . 17241 1
219 . 1 1 24 24 GLY CA C 13 45.724 0.05 . 1 . . . . 200 G CA . 17241 1
220 . 1 1 24 24 GLY N N 15 108.843 0.05 . 1 . . . . 200 G N . 17241 1
221 . 1 1 25 25 GLU H H 1 7.567 0.02 . 1 . . . . 201 E H . 17241 1
222 . 1 1 25 25 GLU HA H 1 4.517 0.02 . 1 . . . . 201 E HA . 17241 1
223 . 1 1 25 25 GLU HB2 H 1 2.179 0.02 . 2 . . . . 201 E HB2 . 17241 1
224 . 1 1 25 25 GLU HB3 H 1 2.256 0.02 . 2 . . . . 201 E HB3 . 17241 1
225 . 1 1 25 25 GLU HG2 H 1 2.183 0.02 . 2 . . . . 201 E HG2 . 17241 1
226 . 1 1 25 25 GLU C C 13 175.435 0.05 . 1 . . . . 201 E C . 17241 1
227 . 1 1 25 25 GLU CA C 13 55.865 0.05 . 1 . . . . 201 E CA . 17241 1
228 . 1 1 25 25 GLU CB C 13 31.005 0.05 . 1 . . . . 201 E CB . 17241 1
229 . 1 1 25 25 GLU CG C 13 36.321 0.05 . 1 . . . . 201 E CG . 17241 1
230 . 1 1 25 25 GLU N N 15 119.995 0.05 . 1 . . . . 201 E N . 17241 1
231 . 1 1 26 26 ILE H H 1 8.558 0.02 . 1 . . . . 202 I H . 17241 1
232 . 1 1 26 26 ILE HA H 1 4.608 0.02 . 1 . . . . 202 I HA . 17241 1
233 . 1 1 26 26 ILE HB H 1 1.701 0.02 . 1 . . . . 202 I HB . 17241 1
234 . 1 1 26 26 ILE HD11 H 1 0.805 0.02 . 2 . . . . 202 I HD11 . 17241 1
235 . 1 1 26 26 ILE HD12 H 1 0.805 0.02 . 2 . . . . 202 I HD12 . 17241 1
236 . 1 1 26 26 ILE HD13 H 1 0.805 0.02 . 2 . . . . 202 I HD13 . 17241 1
237 . 1 1 26 26 ILE HG12 H 1 1.039 0.02 . 2 . . . . 202 I HG12 . 17241 1
238 . 1 1 26 26 ILE HG13 H 1 1.605 0.02 . 2 . . . . 202 I HG13 . 17241 1
239 . 1 1 26 26 ILE HG21 H 1 0.644 0.02 . 2 . . . . 202 I HG21 . 17241 1
240 . 1 1 26 26 ILE HG22 H 1 0.644 0.02 . 2 . . . . 202 I HG22 . 17241 1
241 . 1 1 26 26 ILE HG23 H 1 0.644 0.02 . 2 . . . . 202 I HG23 . 17241 1
242 . 1 1 26 26 ILE C C 13 175.468 0.05 . 1 . . . . 202 I C . 17241 1
243 . 1 1 26 26 ILE CA C 13 61.424 0.05 . 1 . . . . 202 I CA . 17241 1
244 . 1 1 26 26 ILE CB C 13 38.955 0.05 . 1 . . . . 202 I CB . 17241 1
245 . 1 1 26 26 ILE CD1 C 13 13.137 0.05 . 1 . . . . 202 I CD1 . 17241 1
246 . 1 1 26 26 ILE CG1 C 13 28.787 0.05 . 2 . . . . 202 I CG1 . 17241 1
247 . 1 1 26 26 ILE CG2 C 13 17.818 0.05 . 2 . . . . 202 I CG2 . 17241 1
248 . 1 1 26 26 ILE N N 15 125.921 0.05 . 1 . . . . 202 I N . 17241 1
249 . 1 1 27 27 TYR H H 1 8.519 0.02 . 1 . . . . 203 Y H . 17241 1
250 . 1 1 27 27 TYR HA H 1 4.574 0.02 . 1 . . . . 203 Y HA . 17241 1
251 . 1 1 27 27 TYR HB2 H 1 2.290 0.02 . 2 . . . . 203 Y HB2 . 17241 1
252 . 1 1 27 27 TYR HD1 H 1 6.683 0.02 . 3 . . . . 203 Y HD* . 17241 1
253 . 1 1 27 27 TYR HD2 H 1 6.683 0.02 . 3 . . . . 203 Y HD* . 17241 1
254 . 1 1 27 27 TYR HE1 H 1 6.289 0.02 . 3 . . . . 203 Y HE* . 17241 1
255 . 1 1 27 27 TYR HE2 H 1 6.289 0.02 . 3 . . . . 203 Y HE* . 17241 1
256 . 1 1 27 27 TYR C C 13 170.800 0.05 . 1 . . . . 203 Y C . 17241 1
257 . 1 1 27 27 TYR CA C 13 55.566 0.05 . 1 . . . . 203 Y CA . 17241 1
258 . 1 1 27 27 TYR CB C 13 39.105 0.05 . 1 . . . . 203 Y CB . 17241 1
259 . 1 1 27 27 TYR CD1 C 13 132.54 0.05 . 3 . . . . 203 Y CD* . 17241 1
260 . 1 1 27 27 TYR CD2 C 13 132.26 0.05 . 3 . . . . 203 Y CD* . 17241 1
261 . 1 1 27 27 TYR CE1 C 13 117.81 0.05 . 3 . . . . 203 Y CE* . 17241 1
262 . 1 1 27 27 TYR CE2 C 13 117.91 0.05 . 3 . . . . 203 Y CE* . 17241 1
263 . 1 1 27 27 TYR N N 15 124.383 0.05 . 1 . . . . 203 Y N . 17241 1
264 . 1 1 28 28 TYR H H 1 8.720 0.02 . 1 . . . . 204 Y H . 17241 1
265 . 1 1 28 28 TYR HA H 1 5.219 0.02 . 1 . . . . 204 Y HA . 17241 1
266 . 1 1 28 28 TYR HB2 H 1 2.793 0.02 . 2 . . . . 204 Y HB2 . 17241 1
267 . 1 1 28 28 TYR HB3 H 1 3.062 0.02 . 2 . . . . 204 Y HB3 . 17241 1
268 . 1 1 28 28 TYR HD1 H 1 6.755 0.02 . 3 . . . . 204 Y HD* . 17241 1
269 . 1 1 28 28 TYR HD2 H 1 6.755 0.02 . 3 . . . . 204 Y HD* . 17241 1
270 . 1 1 28 28 TYR HE1 H 1 6.635 0.02 . 3 . . . . 204 Y HE* . 17241 1
271 . 1 1 28 28 TYR HE2 H 1 6.635 0.02 . 3 . . . . 204 Y HE* . 17241 1
272 . 1 1 28 28 TYR C C 13 174.752 0.05 . 1 . . . . 204 Y C . 17241 1
273 . 1 1 28 28 TYR CA C 13 56.891 0.05 . 1 . . . . 204 Y CA . 17241 1
274 . 1 1 28 28 TYR CB C 13 42.173 0.05 . 1 . . . . 204 Y CB . 17241 1
275 . 1 1 28 28 TYR CD1 C 13 132.54 0.05 . 3 . . . . 204 Y CD* . 17241 1
276 . 1 1 28 28 TYR CD2 C 13 132.26 0.05 . 3 . . . . 204 Y CD* . 17241 1
277 . 1 1 28 28 TYR CE1 C 13 117.81 0.05 . 3 . . . . 204 Y CE* . 17241 1
278 . 1 1 28 28 TYR CE2 C 13 117.91 0.05 . 3 . . . . 204 Y CE* . 17241 1
279 . 1 1 28 28 TYR N N 15 116.263 0.05 . 1 . . . . 204 Y N . 17241 1
280 . 1 1 29 29 ILE H H 1 9.295 0.02 . 1 . . . . 205 I H . 17241 1
281 . 1 1 29 29 ILE HA H 1 4.471 0.02 . 1 . . . . 205 I HA . 17241 1
282 . 1 1 29 29 ILE HB H 1 1.346 0.02 . 1 . . . . 205 I HB . 17241 1
283 . 1 1 29 29 ILE HD11 H 1 0.627 0.02 . 2 . . . . 205 I HD11 . 17241 1
284 . 1 1 29 29 ILE HD12 H 1 0.627 0.02 . 2 . . . . 205 I HD12 . 17241 1
285 . 1 1 29 29 ILE HD13 H 1 0.627 0.02 . 2 . . . . 205 I HD13 . 17241 1
286 . 1 1 29 29 ILE HG12 H 1 0.691 0.02 . 2 . . . . 205 I HG12 . 17241 1
287 . 1 1 29 29 ILE HG13 H 1 1.201 0.02 . 2 . . . . 205 I HG13 . 17241 1
288 . 1 1 29 29 ILE HG21 H 1 0.352 0.02 . 2 . . . . 205 I HG21 . 17241 1
289 . 1 1 29 29 ILE HG22 H 1 0.352 0.02 . 2 . . . . 205 I HG22 . 17241 1
290 . 1 1 29 29 ILE HG23 H 1 0.352 0.02 . 2 . . . . 205 I HG23 . 17241 1
291 . 1 1 29 29 ILE C C 13 173.814 0.05 . 1 . . . . 205 I C . 17241 1
292 . 1 1 29 29 ILE CA C 13 60.273 0.05 . 1 . . . . 205 I CA . 17241 1
293 . 1 1 29 29 ILE CB C 13 42.412 0.05 . 1 . . . . 205 I CB . 17241 1
294 . 1 1 29 29 ILE CD1 C 13 14.572 0.05 . 1 . . . . 205 I CD1 . 17241 1
295 . 1 1 29 29 ILE CG1 C 13 28.064 0.05 . 2 . . . . 205 I CG1 . 17241 1
296 . 1 1 29 29 ILE CG2 C 13 16.485 0.05 . 2 . . . . 205 I CG2 . 17241 1
297 . 1 1 29 29 ILE N N 15 122.356 0.05 . 1 . . . . 205 I N . 17241 1
298 . 1 1 30 30 ASN H H 1 8.364 0.02 . 1 . . . . 206 N H . 17241 1
299 . 1 1 30 30 ASN HA H 1 4.103 0.02 . 1 . . . . 206 N HA . 17241 1
300 . 1 1 30 30 ASN HB2 H 1 2.381 0.02 . 2 . . . . 206 N HB2 . 17241 1
301 . 1 1 30 30 ASN HD21 H 1 7.27 0.02 . 2 . . . . 206 N HD21 . 17241 1
302 . 1 1 30 30 ASN HD22 H 1 6.583 0.02 . 2 . . . . 206 N HD22 . 17241 1
303 . 1 1 30 30 ASN C C 13 176.131 0.05 . 1 . . . . 206 N C . 17241 1
304 . 1 1 30 30 ASN CA C 13 51.045 0.05 . 1 . . . . 206 N CA . 17241 1
305 . 1 1 30 30 ASN CB C 13 36.912 0.05 . 1 . . . . 206 N CB . 17241 1
306 . 1 1 30 30 ASN N N 15 125.650 0.05 . 1 . . . . 206 N N . 17241 1
307 . 1 1 30 30 ASN ND2 N 15 109.905 0.05 . 1 . . . . 206 N ND2 . 17241 1
308 . 1 1 31 31 HIS H H 1 8.749 0.02 . 1 . . . . 207 H H . 17241 1
309 . 1 1 31 31 HIS HA H 1 4.236 0.02 . 1 . . . . 207 H HA . 17241 1
310 . 1 1 31 31 HIS HB2 H 1 3.121 0.02 . 2 . . . . 207 H HB2 . 17241 1
311 . 1 1 31 31 HIS C C 13 176.309 0.05 . 1 . . . . 207 H C . 17241 1
312 . 1 1 31 31 HIS CA C 13 58.242 0.05 . 1 . . . . 207 H CA . 17241 1
313 . 1 1 31 31 HIS CB C 13 29.216 0.05 . 1 . . . . 207 H CB . 17241 1
314 . 1 1 31 31 HIS N N 15 122.096 0.05 . 1 . . . . 207 H N . 17241 1
315 . 1 1 32 32 LYS H H 1 8.247 0.02 . 1 . . . . 208 K H . 17241 1
316 . 1 1 32 32 LYS HA H 1 4.055 0.02 . 1 . . . . 208 K HA . 17241 1
317 . 1 1 32 32 LYS HB2 H 1 1.720 0.02 . 2 . . . . 208 K HB2 . 17241 1
318 . 1 1 32 32 LYS HB3 H 1 1.785 0.02 . 2 . . . . 208 K HB3 . 17241 1
319 . 1 1 32 32 LYS HD2 H 1 1.627 0.02 . 2 . . . . 208 K HD2 . 17241 1
320 . 1 1 32 32 LYS HE2 H 1 2.912 0.02 . 2 . . . . 208 K HE2 . 17241 1
321 . 1 1 32 32 LYS HG2 H 1 1.325 0.02 . 2 . . . . 208 K HG2 . 17241 1
322 . 1 1 32 32 LYS HG3 H 1 1.385 0.02 . 2 . . . . 208 K HG3 . 17241 1
323 . 1 1 32 32 LYS C C 13 177.610 0.05 . 1 . . . . 208 K C . 17241 1
324 . 1 1 32 32 LYS CA C 13 58.835 0.05 . 1 . . . . 208 K CA . 17241 1
325 . 1 1 32 32 LYS CB C 13 31.899 0.05 . 1 . . . . 208 K CB . 17241 1
326 . 1 1 32 32 LYS CD C 13 29.047 0.05 . 1 . . . . 208 K CD . 17241 1
327 . 1 1 32 32 LYS CE C 13 42.097 0.05 . 1 . . . . 208 K CE . 17241 1
328 . 1 1 32 32 LYS CG C 13 24.995 0.05 . 1 . . . . 208 K CG . 17241 1
329 . 1 1 32 32 LYS N N 15 119.796 0.05 . 1 . . . . 208 K N . 17241 1
330 . 1 1 33 33 ASN H H 1 7.058 0.02 . 1 . . . . 209 N H . 17241 1
331 . 1 1 33 33 ASN HA H 1 4.658 0.02 . 1 . . . . 209 N HA . 17241 1
332 . 1 1 33 33 ASN HB2 H 1 2.637 0.02 . 2 . . . . 209 N HB2 . 17241 1
333 . 1 1 33 33 ASN HD21 H 1 6.691 0.02 . 2 . . . . 209 N HD21 . 17241 1
334 . 1 1 33 33 ASN HD22 H 1 7.357 0.02 . 2 . . . . 209 N HD22 . 17241 1
335 . 1 1 33 33 ASN C C 13 174.532 0.05 . 1 . . . . 209 N C . 17241 1
336 . 1 1 33 33 ASN CA C 13 51.977 0.05 . 1 . . . . 209 N CA . 17241 1
337 . 1 1 33 33 ASN CB C 13 38.926 0.05 . 1 . . . . 209 N CB . 17241 1
338 . 1 1 33 33 ASN N N 15 113.809 0.05 . 1 . . . . 209 N N . 17241 1
339 . 1 1 33 33 ASN ND2 N 15 110.823 0.05 . 1 . . . . 209 N ND2 . 17241 1
340 . 1 1 34 34 LYS H H 1 7.725 0.02 . 1 . . . . 210 K H . 17241 1
341 . 1 1 34 34 LYS HA H 1 3.825 0.02 . 1 . . . . 210 K HA . 17241 1
342 . 1 1 34 34 LYS HB2 H 1 1.799 0.02 . 2 . . . . 210 K HB2 . 17241 1
343 . 1 1 34 34 LYS HB3 H 1 1.973 0.02 . 2 . . . . 210 K HB3 . 17241 1
344 . 1 1 34 34 LYS HD2 H 1 1.596 0.02 . 2 . . . . 210 K HD2 . 17241 1
345 . 1 1 34 34 LYS HE2 H 1 2.964 0.02 . 2 . . . . 210 K HE2 . 17241 1
346 . 1 1 34 34 LYS HG2 H 1 1.271 0.02 . 2 . . . . 210 K HG2 . 17241 1
347 . 1 1 34 34 LYS C C 13 175.652 0.05 . 1 . . . . 210 K C . 17241 1
348 . 1 1 34 34 LYS CA C 13 57.256 0.05 . 1 . . . . 210 K CA . 17241 1
349 . 1 1 34 34 LYS CB C 13 29.284 0.05 . 1 . . . . 210 K CB . 17241 1
350 . 1 1 34 34 LYS CD C 13 29.390 0.05 . 1 . . . . 210 K CD . 17241 1
351 . 1 1 34 34 LYS CE C 13 42.525 0.05 . 1 . . . . 210 K CE . 17241 1
352 . 1 1 34 34 LYS CG C 13 25.097 0.05 . 1 . . . . 210 K CG . 17241 1
353 . 1 1 34 34 LYS N N 15 116.609 0.05 . 1 . . . . 210 K N . 17241 1
354 . 1 1 35 35 THR H H 1 7.630 0.02 . 1 . . . . 211 T H . 17241 1
355 . 1 1 35 35 THR HA H 1 4.681 0.02 . 1 . . . . 211 T HA . 17241 1
356 . 1 1 35 35 THR HB H 1 4.139 0.02 . 1 . . . . 211 T HB . 17241 1
357 . 1 1 35 35 THR HG21 H 1 1.084 0.02 . 1 . . . . 211 T HG21 . 17241 1
358 . 1 1 35 35 THR HG22 H 1 1.084 0.02 . 1 . . . . 211 T HG22 . 17241 1
359 . 1 1 35 35 THR HG23 H 1 1.084 0.02 . 1 . . . . 211 T HG23 . 17241 1
360 . 1 1 35 35 THR C C 13 173.794 0.05 . 1 . . . . 211 T C . 17241 1
361 . 1 1 35 35 THR CA C 13 60.713 0.05 . 1 . . . . 211 T CA . 17241 1
362 . 1 1 35 35 THR CB C 13 72.178 0.05 . 1 . . . . 211 T CB . 17241 1
363 . 1 1 35 35 THR CG2 C 13 21.488 0.05 . 1 . . . . 211 T CG2 . 17241 1
364 . 1 1 35 35 THR N N 15 110.570 0.05 . 1 . . . . 211 T N . 17241 1
365 . 1 1 36 36 THR H H 1 8.245 0.02 . 1 . . . . 212 T H . 17241 1
366 . 1 1 36 36 THR HA H 1 5.325 0.02 . 1 . . . . 212 T HA . 17241 1
367 . 1 1 36 36 THR HB H 1 4.088 0.02 . 1 . . . . 212 T HB . 17241 1
368 . 1 1 36 36 THR HG21 H 1 1.083 0.02 . 1 . . . . 212 T HG21 . 17241 1
369 . 1 1 36 36 THR HG22 H 1 1.083 0.02 . 1 . . . . 212 T HG22 . 17241 1
370 . 1 1 36 36 THR HG23 H 1 1.083 0.02 . 1 . . . . 212 T HG23 . 17241 1
371 . 1 1 36 36 THR C C 13 174.264 0.05 . 1 . . . . 212 T C . 17241 1
372 . 1 1 36 36 THR CA C 13 60.191 0.05 . 1 . . . . 212 T CA . 17241 1
373 . 1 1 36 36 THR CB C 13 72.176 0.05 . 1 . . . . 212 T CB . 17241 1
374 . 1 1 36 36 THR CG2 C 13 22.402 0.05 . 1 . . . . 212 T CG2 . 17241 1
375 . 1 1 36 36 THR N N 15 112.409 0.05 . 1 . . . . 212 T N . 17241 1
376 . 1 1 37 37 SER H H 1 9.322 0.02 . 1 . . . . 213 S H . 17241 1
377 . 1 1 37 37 SER HA H 1 4.798 0.02 . 1 . . . . 213 S HA . 17241 1
378 . 1 1 37 37 SER HB2 H 1 4.025 0.02 . 2 . . . . 213 S HB2 . 17241 1
379 . 1 1 37 37 SER HB3 H 1 4.021 0.02 . 2 . . . . 213 S HB3 . 17241 1
380 . 1 1 37 37 SER C C 13 174.424 0.05 . 1 . . . . 213 S C . 17241 1
381 . 1 1 37 37 SER CA C 13 57.299 0.05 . 1 . . . . 213 S CA . 17241 1
382 . 1 1 37 37 SER CB C 13 65.978 0.05 . 1 . . . . 213 S CB . 17241 1
383 . 1 1 37 37 SER N N 15 114.724 0.05 . 1 . . . . 213 S N . 17241 1
384 . 1 1 38 38 TRP H H 1 8.978 0.02 . 1 . . . . 214 W H . 17241 1
385 . 1 1 38 38 TRP HA H 1 4.945 0.02 . 1 . . . . 214 W HA . 17241 1
386 . 1 1 38 38 TRP HB2 H 1 3.076 0.02 . 2 . . . . 214 W HB2 . 17241 1
387 . 1 1 38 38 TRP HB3 H 1 3.604 0.02 . 2 . . . . 214 W HB3 . 17241 1
388 . 1 1 38 38 TRP HD1 H 1 7.305 0.02 . 1 . . . . 214 W HD1 . 17241 1
389 . 1 1 38 38 TRP HE1 H 1 10.211 0.02 . 1 . . . . 214 W HE1 . 17241 1
390 . 1 1 38 38 TRP HE3 H 1 7.926 0.02 . 1 . . . . 214 W HE3 . 17241 1
391 . 1 1 38 38 TRP HH2 H 1 6.933 0.02 . 1 . . . . 214 W HH2 . 17241 1
392 . 1 1 38 38 TRP HZ2 H 1 7.209 0.02 . 3 . . . . 214 W HZ2 . 17241 1
393 . 1 1 38 38 TRP HZ3 H 1 6.884 0.02 . 3 . . . . 214 W HZ3 . 17241 1
394 . 1 1 38 38 TRP C C 13 175.916 0.05 . 1 . . . . 214 W C . 17241 1
395 . 1 1 38 38 TRP CA C 13 58.488 0.05 . 1 . . . . 214 W CA . 17241 1
396 . 1 1 38 38 TRP CB C 13 30.174 0.05 . 1 . . . . 214 W CB . 17241 1
397 . 1 1 38 38 TRP CD1 C 13 126.16 0.05 . 1 . . . . 214 W CD1 . 17241 1
398 . 1 1 38 38 TRP CE3 C 13 120.38 0.05 . 1 . . . . 214 W CE3 . 17241 1
399 . 1 1 38 38 TRP CH2 C 13 123.75 0.05 . 1 . . . . 214 W CH2 . 17241 1
400 . 1 1 38 38 TRP CZ2 C 13 114.19 0.05 . 3 . . . . 214 W CZ2 . 17241 1
401 . 1 1 38 38 TRP CZ3 C 13 121.57 0.05 . 3 . . . . 214 W CZ3 . 17241 1
402 . 1 1 38 38 TRP N N 15 126.173 0.05 . 1 . . . . 214 W N . 17241 1
403 . 1 1 38 38 TRP NE1 N 15 129.422 0.05 . 1 . . . . 214 W NE1 . 17241 1
404 . 1 1 39 39 LEU H H 1 8.235 0.02 . 1 . . . . 215 L H . 17241 1
405 . 1 1 39 39 LEU HA H 1 4.426 0.02 . 1 . . . . 215 L HA . 17241 1
406 . 1 1 39 39 LEU HB2 H 1 1.374 0.02 . 2 . . . . 215 L HB2 . 17241 1
407 . 1 1 39 39 LEU HD11 H 1 0.792 0.02 . 2 . . . . 215 L HD11 . 17241 1
408 . 1 1 39 39 LEU HD12 H 1 0.792 0.02 . 2 . . . . 215 L HD12 . 17241 1
409 . 1 1 39 39 LEU HD13 H 1 0.792 0.02 . 2 . . . . 215 L HD13 . 17241 1
410 . 1 1 39 39 LEU HD21 H 1 0.850 0.02 . 2 . . . . 215 L HD21 . 17241 1
411 . 1 1 39 39 LEU HD22 H 1 0.850 0.02 . 2 . . . . 215 L HD22 . 17241 1
412 . 1 1 39 39 LEU HD23 H 1 0.850 0.02 . 2 . . . . 215 L HD23 . 17241 1
413 . 1 1 39 39 LEU HG H 1 1.498 0.02 . 1 . . . . 215 L HG . 17241 1
414 . 1 1 39 39 LEU C C 13 175.510 0.05 . 1 . . . . 215 L C . 17241 1
415 . 1 1 39 39 LEU CA C 13 53.950 0.05 . 1 . . . . 215 L CA . 17241 1
416 . 1 1 39 39 LEU CB C 13 43.128 0.05 . 1 . . . . 215 L CB . 17241 1
417 . 1 1 39 39 LEU CD1 C 13 23.908 0.05 . 2 . . . . 215 L CD1 . 17241 1
418 . 1 1 39 39 LEU CD2 C 13 24.772 0.05 . 2 . . . . 215 L CD2 . 17241 1
419 . 1 1 39 39 LEU CG C 13 26.913 0.05 . 1 . . . . 215 L CG . 17241 1
420 . 1 1 39 39 LEU N N 15 121.391 0.05 . 1 . . . . 215 L N . 17241 1
421 . 1 1 40 40 ASP H H 1 8.133 0.02 . 1 . . . . 216 D H . 17241 1
422 . 1 1 40 40 ASP HA H 1 3.140 0.02 . 1 . . . . 216 D HA . 17241 1
423 . 1 1 40 40 ASP HB2 H 1 2.412 0.02 . 2 . . . . 216 D HB2 . 17241 1
424 . 1 1 40 40 ASP HB3 H 1 2.538 0.02 . 2 . . . . 216 D HB3 . 17241 1
425 . 1 1 40 40 ASP C C 13 175.823 0.05 . 1 . . . . 216 D C . 17241 1
426 . 1 1 40 40 ASP CA C 13 51.301 0.05 . 1 . . . . 216 D CA . 17241 1
427 . 1 1 40 40 ASP CB C 13 41.444 0.05 . 1 . . . . 216 D CB . 17241 1
428 . 1 1 40 40 ASP N N 15 125.050 0.05 . 1 . . . . 216 D N . 17241 1
429 . 1 1 41 41 PRO HA H 1 3.769 0.02 . 1 . . . . 217 P HA . 17241 1
430 . 1 1 41 41 PRO HB2 H 1 2.05 0.02 . 2 . . . . 217 P HB2 . 17241 1
431 . 1 1 41 41 PRO HB3 H 1 2.05 0.02 . 2 . . . . 217 P HB3 . 17241 1
432 . 1 1 41 41 PRO HG2 H 1 2.529 0.02 . 2 . . . . 217 P HG2 . 17241 1
433 . 1 1 41 41 PRO HG3 H 1 2.590 0.02 . 2 . . . . 217 P HG3 . 17241 1
434 . 1 1 41 41 PRO C C 13 177.781 0.05 . 1 . . . . 217 P C . 17241 1
435 . 1 1 41 41 PRO CA C 13 63.190 0.05 . 1 . . . . 217 P CA . 17241 1
436 . 1 1 41 41 PRO CB C 13 30.872 0.05 . 1 . . . . 217 P CB . 17241 1
437 . 1 1 41 41 PRO CD C 13 49.808 0.05 . 1 . . . . 217 P CD . 17241 1
438 . 1 1 41 41 PRO CG C 13 26.403 0.05 . 1 . . . . 217 P CG . 17241 1
439 . 1 1 42 42 ARG H H 1 8.393 0.02 . 1 . . . . 218 R H . 17241 1
440 . 1 1 42 42 ARG HA H 1 3.839 0.02 . 1 . . . . 218 R HA . 17241 1
441 . 1 1 42 42 ARG HB2 H 1 1.506 0.02 . 2 . . . . 218 R HB2 . 17241 1
442 . 1 1 42 42 ARG HB3 H 1 1.756 0.02 . 2 . . . . 218 R HB3 . 17241 1
443 . 1 1 42 42 ARG HD2 H 1 2.827 0.02 . 2 . . . . 218 R HD2 . 17241 1
444 . 1 1 42 42 ARG HD3 H 1 2.912 0.02 . 2 . . . . 218 R HD3 . 17241 1
445 . 1 1 42 42 ARG HG2 H 1 1.221 0.02 . 2 . . . . 218 R HG2 . 17241 1
446 . 1 1 42 42 ARG C C 13 177.056 0.05 . 1 . . . . 218 R C . 17241 1
447 . 1 1 42 42 ARG CA C 13 57.496 0.05 . 1 . . . . 218 R CA . 17241 1
448 . 1 1 42 42 ARG CB C 13 30.361 0.05 . 1 . . . . 218 R CB . 17241 1
449 . 1 1 42 42 ARG CD C 13 43.143 0.05 . 1 . . . . 218 R CD . 17241 1
450 . 1 1 42 42 ARG CG C 13 27.372 0.05 . 1 . . . . 218 R CG . 17241 1
451 . 1 1 42 42 ARG N N 15 118.634 0.05 . 1 . . . . 218 R N . 17241 1
452 . 1 1 43 43 LEU H H 1 7.389 0.02 . 1 . . . . 219 L H . 17241 1
453 . 1 1 43 43 LEU HA H 1 4.162 0.02 . 1 . . . . 219 L HA . 17241 1
454 . 1 1 43 43 LEU HB2 H 1 1.487 0.02 . 2 . . . . 219 L HB2 . 17241 1
455 . 1 1 43 43 LEU HB3 H 1 1.646 0.02 . 2 . . . . 219 L HB3 . 17241 1
456 . 1 1 43 43 LEU HD11 H 1 0.736 0.02 . 2 . . . . 219 L HD11 . 17241 1
457 . 1 1 43 43 LEU HD12 H 1 0.736 0.02 . 2 . . . . 219 L HD12 . 17241 1
458 . 1 1 43 43 LEU HD13 H 1 0.736 0.02 . 2 . . . . 219 L HD13 . 17241 1
459 . 1 1 43 43 LEU HD21 H 1 0.880 0.02 . 2 . . . . 219 L HD21 . 17241 1
460 . 1 1 43 43 LEU HD22 H 1 0.880 0.02 . 2 . . . . 219 L HD22 . 17241 1
461 . 1 1 43 43 LEU HD23 H 1 0.880 0.02 . 2 . . . . 219 L HD23 . 17241 1
462 . 1 1 43 43 LEU HG H 1 1.397 0.02 . 1 . . . . 219 L HG . 17241 1
463 . 1 1 43 43 LEU C C 13 177.101 0.05 . 1 . . . . 219 L C . 17241 1
464 . 1 1 43 43 LEU CA C 13 55.045 0.05 . 1 . . . . 219 L CA . 17241 1
465 . 1 1 43 43 LEU CB C 13 42.017 0.05 . 1 . . . . 219 L CB . 17241 1
466 . 1 1 43 43 LEU CD1 C 13 22.798 0.05 . 2 . . . . 219 L CD1 . 17241 1
467 . 1 1 43 43 LEU CD2 C 13 25.513 0.05 . 2 . . . . 219 L CD2 . 17241 1
468 . 1 1 43 43 LEU CG C 13 26.933 0.05 . 1 . . . . 219 L CG . 17241 1
469 . 1 1 43 43 LEU N N 15 118.227 0.05 . 1 . . . . 219 L N . 17241 1
470 . 1 1 44 44 GLU H H 1 7.603 0.02 . 1 . . . . 220 E H . 17241 1
471 . 1 1 44 44 GLU HA H 1 4.228 0.02 . 1 . . . . 220 E HA . 17241 1
472 . 1 1 44 44 GLU HB2 H 1 1.835 0.02 . 2 . . . . 220 E HB2 . 17241 1
473 . 1 1 44 44 GLU HB3 H 1 1.974 0.02 . 2 . . . . 220 E HB3 . 17241 1
474 . 1 1 44 44 GLU HG2 H 1 2.122 0.02 . 2 . . . . 220 E HG2 . 17241 1
475 . 1 1 44 44 GLU HG3 H 1 2.188 0.02 . 2 . . . . 220 E HG3 . 17241 1
476 . 1 1 44 44 GLU C C 13 176.257 0.05 . 1 . . . . 220 E C . 17241 1
477 . 1 1 44 44 GLU CA C 13 56.564 0.05 . 1 . . . . 220 E CA . 17241 1
478 . 1 1 44 44 GLU CB C 13 30.628 0.05 . 1 . . . . 220 E CB . 17241 1
479 . 1 1 44 44 GLU CG C 13 35.971 0.05 . 1 . . . . 220 E CG . 17241 1
480 . 1 1 44 44 GLU N N 15 120.350 0.05 . 1 . . . . 220 E N . 17241 1
481 . 1 1 45 45 THR H H 1 8.010 0.02 . 1 . . . . 221 T H . 17241 1
482 . 1 1 45 45 THR HA H 1 4.281 0.02 . 1 . . . . 221 T HA . 17241 1
483 . 1 1 45 45 THR HB H 1 4.167 0.02 . 1 . . . . 221 T HB . 17241 1
484 . 1 1 45 45 THR HG21 H 1 1.120 0.02 . 1 . . . . 221 T HG21 . 17241 1
485 . 1 1 45 45 THR HG22 H 1 1.120 0.02 . 1 . . . . 221 T HG22 . 17241 1
486 . 1 1 45 45 THR HG23 H 1 1.120 0.02 . 1 . . . . 221 T HG23 . 17241 1
487 . 1 1 45 45 THR C C 13 173.653 0.05 . 1 . . . . 221 T C . 17241 1
488 . 1 1 45 45 THR CA C 13 61.748 0.05 . 1 . . . . 221 T CA . 17241 1
489 . 1 1 45 45 THR CB C 13 69.926 0.05 . 1 . . . . 221 T CB . 17241 1
490 . 1 1 45 45 THR CG2 C 13 21.588 0.05 . 1 . . . . 221 T CG2 . 17241 1
491 . 1 1 45 45 THR N N 15 116.071 0.05 . 1 . . . . 221 T N . 17241 1
492 . 1 1 46 46 ARG H H 1 7.916 0.02 . 1 . . . . 222 R H . 17241 1
493 . 1 1 46 46 ARG HA H 1 4.121 0.02 . 1 . . . . 222 R HA . 17241 1
494 . 1 1 46 46 ARG HB2 H 1 1.663 0.02 . 2 . . . . 222 R HB2 . 17241 1
495 . 1 1 46 46 ARG HB3 H 1 1.814 0.02 . 2 . . . . 222 R HB3 . 17241 1
496 . 1 1 46 46 ARG HD2 H 1 3.152 0.02 . 2 . . . . 222 R HD2 . 17241 1
497 . 1 1 46 46 ARG HG2 H 1 1.548 0.02 . 2 . . . . 222 R HG2 . 17241 1
498 . 1 1 46 46 ARG C C 13 180.888 0.05 . 1 . . . . 222 R C . 17241 1
499 . 1 1 46 46 ARG CA C 13 57.514 0.05 . 1 . . . . 222 R CA . 17241 1
500 . 1 1 46 46 ARG CB C 13 31.840 0.05 . 1 . . . . 222 R CB . 17241 1
501 . 1 1 46 46 ARG CD C 13 43.600 0.05 . 1 . . . . 222 R CD . 17241 1
502 . 1 1 46 46 ARG CG C 13 31.664 0.05 . 1 . . . . 222 R CG . 17241 1
503 . 1 1 46 46 ARG N N 15 129.099 0.05 . 1 . . . . 222 R N . 17241 1
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