data_16136
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16136
_Entry.Title
;
NMR assignment of jerdostatin from Trimeresurus jerdonii
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2009-01-27
_Entry.Accession_date 2009-01-27
_Entry.Last_release_date 2009-01-27
_Entry.Original_release_date 2009-01-27
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.1.32
_Entry.NMR_STAR_dict_location .
_Entry.Original_NMR_STAR_version 3.0.9.13
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID .
_Entry.Generated_software_label .
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_Entry.Details .
_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.ORCID
_Entry_author.Entry_ID
1 Rodrigo Carbajo . J. . . 16136
2 Libia Sanz . . . . 16136
3 Silvia Mosulen . . . . 16136
4 'Juan Jose' Calvete . . . . 16136
5 Antonio Pineda-Lucena . . . . 16136
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 16136
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 102 16136
'15N chemical shifts' 45 16136
'1H chemical shifts' 257 16136
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 . . 2019-10-30 2009-01-27 update BMRB 'complete entry, etc.' 16136
1 . . 2011-07-18 2009-01-27 original author 'original release' 16136
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2W9O 'BMRB Entry Tracking System' 16136
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 16136
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 21656569
_Citation.Full_citation .
_Citation.Title
;
NMR structure and dynamics of recombinant wild type and mutated jerdostatin, a selective inhibitor of integrin alpha(1)beta(1).
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev Proteins
_Citation.Journal_name_full Proteins
_Citation.Journal_volume 79
_Citation.Journal_issue 8
_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 2530
_Citation.Page_last 2542
_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.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Rodrigo Carbajo . J. . . 16136 1
2 Libia Sanz . . . . 16136 1
3 Silvia Mosulen . . . . 16136 1
4 Alicia Perez . . . . 16136 1
5 Cezary Marcinkiewicz . . . . 16136 1
6 Antonio Pineda-Lucena . . . . 16136 1
7 Juan Calvete . J. . . 16136 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
disintegrins 16136 1
venom 16136 1
viper 16136 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 16136
_Assembly.ID 1
_Assembly.Name 'jerdostatin polypeptide'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds no
_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 'jerdostatin polypeptide' 1 $jerdostatin A . yes native no no . . . 16136 1
stop_
loop_
_Bond.ID
_Bond.Type
_Bond.Value_order
_Bond.Assembly_atom_ID_1
_Bond.Entity_assembly_ID_1
_Bond.Entity_assembly_name_1
_Bond.Entity_ID_1
_Bond.Comp_ID_1
_Bond.Comp_index_ID_1
_Bond.Seq_ID_1
_Bond.Atom_ID_1
_Bond.Assembly_atom_ID_2
_Bond.Entity_assembly_ID_2
_Bond.Entity_assembly_name_2
_Bond.Entity_ID_2
_Bond.Comp_ID_2
_Bond.Comp_index_ID_2
_Bond.Seq_ID_2
_Bond.Atom_ID_2
_Bond.Auth_entity_assembly_ID_1
_Bond.Auth_entity_assembly_name_1
_Bond.Auth_asym_ID_1
_Bond.Auth_seq_ID_1
_Bond.Auth_comp_ID_1
_Bond.Auth_atom_ID_1
_Bond.Auth_entity_assembly_ID_2
_Bond.Auth_entity_assembly_name_2
_Bond.Auth_asym_ID_2
_Bond.Auth_seq_ID_2
_Bond.Auth_comp_ID_2
_Bond.Auth_atom_ID_2
_Bond.Entry_ID
_Bond.Assembly_ID
1 disulfide single . 1 . 1 CYS 4 4 SG . 1 . 1 CYS 13 13 SG . . . . . . . . . . . . 16136 1
2 disulfide single . 1 . 1 CYS 9 9 SG . 1 . 1 CYS 32 32 SG . . . . . . . . . . . . 16136 1
3 disulfide single . 1 . 1 CYS 10 10 SG . 1 . 1 CYS 37 37 SG . . . . . . . . . . . . 16136 1
4 disulfide single . 1 . 1 CYS 22 22 SG . 1 . 1 CYS 39 39 SG . . . . . . . . . . . . 16136 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_jerdostatin
_Entity.Sf_category entity
_Entity.Sf_framecode jerdostatin
_Entity.Entry_ID 16136
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name jerdostatin
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
AMDCTTGPCCRQCKLKPAGT
TCWRTSVSSHYCTGRSCECP
SYPGNG
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details 'Residues 1-3 represent a non-native 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 'all disulfide bound'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_db_link.Ordinal
_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
1 yes UNP Q7ZZM2 . 'Short disintegrin jerdostatin' . . . . . . . . . . . . . . 16136 1
stop_
loop_
_Entity_biological_function.Biological_function
_Entity_biological_function.Entry_ID
_Entity_biological_function.Entity_ID
'Inhibits the adhesion of alpha-1/beta-1-K562 (ITGA1/ITGB1) cells to collagen IV.' 16136 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 1 ALA . 16136 1
2 2 MET . 16136 1
3 3 ASP . 16136 1
4 4 CYS . 16136 1
5 5 THR . 16136 1
6 6 THR . 16136 1
7 7 GLY . 16136 1
8 8 PRO . 16136 1
9 9 CYS . 16136 1
10 10 CYS . 16136 1
11 11 ARG . 16136 1
12 12 GLN . 16136 1
13 13 CYS . 16136 1
14 14 LYS . 16136 1
15 15 LEU . 16136 1
16 16 LYS . 16136 1
17 17 PRO . 16136 1
18 18 ALA . 16136 1
19 19 GLY . 16136 1
20 20 THR . 16136 1
21 21 THR . 16136 1
22 22 CYS . 16136 1
23 23 TRP . 16136 1
24 24 ARG . 16136 1
25 25 THR . 16136 1
26 26 SER . 16136 1
27 27 VAL . 16136 1
28 28 SER . 16136 1
29 29 SER . 16136 1
30 30 HIS . 16136 1
31 31 TYR . 16136 1
32 32 CYS . 16136 1
33 33 THR . 16136 1
34 34 GLY . 16136 1
35 35 ARG . 16136 1
36 36 SER . 16136 1
37 37 CYS . 16136 1
38 38 GLU . 16136 1
39 39 CYS . 16136 1
40 40 PRO . 16136 1
41 41 SER . 16136 1
42 42 TYR . 16136 1
43 43 PRO . 16136 1
44 44 GLY . 16136 1
45 45 ASN . 16136 1
46 46 GLY . 16136 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
. ALA 1 1 16136 1
. MET 2 2 16136 1
. ASP 3 3 16136 1
. CYS 4 4 16136 1
. THR 5 5 16136 1
. THR 6 6 16136 1
. GLY 7 7 16136 1
. PRO 8 8 16136 1
. CYS 9 9 16136 1
. CYS 10 10 16136 1
. ARG 11 11 16136 1
. GLN 12 12 16136 1
. CYS 13 13 16136 1
. LYS 14 14 16136 1
. LEU 15 15 16136 1
. LYS 16 16 16136 1
. PRO 17 17 16136 1
. ALA 18 18 16136 1
. GLY 19 19 16136 1
. THR 20 20 16136 1
. THR 21 21 16136 1
. CYS 22 22 16136 1
. TRP 23 23 16136 1
. ARG 24 24 16136 1
. THR 25 25 16136 1
. SER 26 26 16136 1
. VAL 27 27 16136 1
. SER 28 28 16136 1
. SER 29 29 16136 1
. HIS 30 30 16136 1
. TYR 31 31 16136 1
. CYS 32 32 16136 1
. THR 33 33 16136 1
. GLY 34 34 16136 1
. ARG 35 35 16136 1
. SER 36 36 16136 1
. CYS 37 37 16136 1
. GLU 38 38 16136 1
. CYS 39 39 16136 1
. PRO 40 40 16136 1
. SER 41 41 16136 1
. TYR 42 42 16136 1
. PRO 43 43 16136 1
. GLY 44 44 16136 1
. ASN 45 45 16136 1
. GLY 46 46 16136 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 16136
_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.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.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Details
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $jerdostatin . 135726 organism . 'Trimeresurus jerdonii' 'Trimeresurus jerdonii' . . Eukaryota Metazoa Trimeresurus jerdonii . . . . . . . . . . . . . 16136 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 16136
_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_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.Details
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $jerdostatin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET-32a . . . 16136 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 16136
_Sample.ID 1
_Sample.Name .
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% 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 jerdostatin '[U-100% 15N]' . . 1 $jerdostatin . . 0.5 . . mM . . . . 16136 1
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 16136
_Sample_condition_list.ID 1
_Sample_condition_list.Name .
_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 . M 16136 1
pH 4.5 . pH 16136 1
pressure 1 . atm 16136 1
temperature 300 . K 16136 1
stop_
save_
############################
# Computer software used #
############################
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID 16136
_Software.ID 1
_Software.Type .
_Software.Name SPARKY
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . 16136 1
stop_
loop_
_Task.Software_module
_Task.Task
_Task.Entry_ID
_Task.Software_ID
. 'chemical shift assignment' 16136 1
stop_
save_
save_TOPSPIN
_Software.Sf_category software
_Software.Sf_framecode TOPSPIN
_Software.Entry_ID 16136
_Software.ID 2
_Software.Type .
_Software.Name TOPSPIN
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bruker Biospin' . . 16136 2
stop_
loop_
_Task.Software_module
_Task.Task
_Task.Entry_ID
_Task.Software_ID
. collection 16136 2
. processing 16136 2
stop_
save_
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 16136
_Software.ID 3
_Software.Type .
_Software.Name CNS
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16136 3
stop_
loop_
_Task.Software_module
_Task.Task
_Task.Entry_ID
_Task.Software_ID
. 'structure solution' 16136 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 16136
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name .
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 16136
_NMR_spectrometer.ID 2
_NMR_spectrometer.Name .
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 700
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 16136
_NMR_spectrometer_list.ID 1
_NMR_spectrometer_list.Name .
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 Bruker Avance . 600 . . . 16136 1
2 spectrometer_2 Bruker Avance . 700 . . . 16136 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 16136
_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 . . . . . . . . . . . . . . . . . . . . . 16136 1
2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16136 1
3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16136 1
4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16136 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 16136
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name .
_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.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 16136 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 16136 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 16136 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 16136
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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' . . . 16136 1
2 '2D 1H-13C HSQC' . . . 16136 1
3 '2D 1H-1H NOESY' . . . 16136 1
4 '2D 1H-1H TOCSY' . . . 16136 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.Ambiguity_set_ID
_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 3 3 ASP HA H 1 4.26 0.01 . 1 . . . . . 3 ASP HA . 16136 1
2 . 1 1 3 3 ASP HB2 H 1 2.67 0.01 . 2 . . . . . 3 ASP HB2 . 16136 1
3 . 1 1 3 3 ASP HB3 H 1 2.81 0.01 . 2 . . . . . 3 ASP HB3 . 16136 1
4 . 1 1 3 3 ASP CA C 13 53.3 0.1 . 1 . . . . . 3 ASP CA . 16136 1
5 . 1 1 3 3 ASP CB C 13 39.7 0.1 . 1 . . . . . 3 ASP CB . 16136 1
6 . 1 1 4 4 CYS H H 1 8.29 0.01 . 1 . . . . . 4 CYS H . 16136 1
7 . 1 1 4 4 CYS HA H 1 4.81 0.01 . 1 . . . . . 4 CYS HA . 16136 1
8 . 1 1 4 4 CYS HB2 H 1 3.24 0.01 . 2 . . . . . 4 CYS HB2 . 16136 1
9 . 1 1 4 4 CYS HB3 H 1 3.32 0.01 . 2 . . . . . 4 CYS HB3 . 16136 1
10 . 1 1 4 4 CYS CB C 13 44.5 0.1 . 1 . . . . . 4 CYS CB . 16136 1
11 . 1 1 4 4 CYS N N 15 117.5 0.1 . 1 . . . . . 4 CYS N . 16136 1
12 . 1 1 5 5 THR H H 1 8.44 0.01 . 1 . . . . . 5 THR H . 16136 1
13 . 1 1 5 5 THR HA H 1 4.25 0.01 . 1 . . . . . 5 THR HA . 16136 1
14 . 1 1 5 5 THR HB H 1 4.04 0.01 . 1 . . . . . 5 THR HB . 16136 1
15 . 1 1 5 5 THR HG21 H 1 1.22 0.01 . 1 . . . . . 5 THR MG . 16136 1
16 . 1 1 5 5 THR HG22 H 1 1.22 0.01 . 1 . . . . . 5 THR MG . 16136 1
17 . 1 1 5 5 THR HG23 H 1 1.22 0.01 . 1 . . . . . 5 THR MG . 16136 1
18 . 1 1 5 5 THR CA C 13 62.9 0.1 . 1 . . . . . 5 THR CA . 16136 1
19 . 1 1 5 5 THR CB C 13 69.1 0.1 . 1 . . . . . 5 THR CB . 16136 1
20 . 1 1 5 5 THR CG2 C 13 22.2 0.1 . 1 . . . . . 5 THR CG2 . 16136 1
21 . 1 1 5 5 THR N N 15 120.3 0.1 . 1 . . . . . 5 THR N . 16136 1
22 . 1 1 6 6 THR H H 1 8.28 0.01 . 1 . . . . . 6 THR H . 16136 1
23 . 1 1 6 6 THR HA H 1 4.63 0.01 . 1 . . . . . 6 THR HA . 16136 1
24 . 1 1 6 6 THR HB H 1 4.17 0.01 . 1 . . . . . 6 THR HB . 16136 1
25 . 1 1 6 6 THR HG21 H 1 1.16 0.01 . 1 . . . . . 6 THR MG . 16136 1
26 . 1 1 6 6 THR HG22 H 1 1.16 0.01 . 1 . . . . . 6 THR MG . 16136 1
27 . 1 1 6 6 THR HG23 H 1 1.16 0.01 . 1 . . . . . 6 THR MG . 16136 1
28 . 1 1 6 6 THR CA C 13 64.6 0.1 . 1 . . . . . 6 THR CA . 16136 1
29 . 1 1 6 6 THR CB C 13 71.1 0.1 . 1 . . . . . 6 THR CB . 16136 1
30 . 1 1 6 6 THR CG2 C 13 21.0 0.1 . 1 . . . . . 6 THR CG2 . 16136 1
31 . 1 1 6 6 THR N N 15 116.4 0.1 . 1 . . . . . 6 THR N . 16136 1
32 . 1 1 7 7 GLY H H 1 8.25 0.01 . 1 . . . . . 7 GLY H . 16136 1
33 . 1 1 7 7 GLY HA2 H 1 4.08 0.01 . 2 . . . . . 7 GLY HA2 . 16136 1
34 . 1 1 7 7 GLY HA3 H 1 4.22 0.01 . 2 . . . . . 7 GLY HA3 . 16136 1
35 . 1 1 7 7 GLY CA C 13 45.5 0.1 . 1 . . . . . 7 GLY CA . 16136 1
36 . 1 1 7 7 GLY N N 15 108.8 0.1 . 1 . . . . . 7 GLY N . 16136 1
37 . 1 1 8 8 PRO HA H 1 4.58 0.01 . 1 . . . . . 8 PRO HA . 16136 1
38 . 1 1 8 8 PRO HB2 H 1 1.92 0.01 . 2 . . . . . 8 PRO HB2 . 16136 1
39 . 1 1 8 8 PRO HB3 H 1 2.59 0.01 . 2 . . . . . 8 PRO HB3 . 16136 1
40 . 1 1 8 8 PRO HD2 H 1 3.67 0.01 . 2 . . . . . 8 PRO HD2 . 16136 1
41 . 1 1 8 8 PRO HD3 H 1 3.80 0.01 . 2 . . . . . 8 PRO HD3 . 16136 1
42 . 1 1 8 8 PRO HG2 H 1 2.02 0.01 . 2 . . . . . 8 PRO HG2 . 16136 1
43 . 1 1 8 8 PRO HG3 H 1 2.17 0.01 . 2 . . . . . 8 PRO HG3 . 16136 1
44 . 1 1 8 8 PRO CB C 13 33.3 0.1 . 1 . . . . . 8 PRO CB . 16136 1
45 . 1 1 8 8 PRO CD C 13 49.7 0.1 . 1 . . . . . 8 PRO CD . 16136 1
46 . 1 1 8 8 PRO CG C 13 28.2 0.1 . 1 . . . . . 8 PRO CG . 16136 1
47 . 1 1 9 9 CYS H H 1 8.66 0.01 . 1 . . . . . 9 CYS H . 16136 1
48 . 1 1 9 9 CYS HA H 1 4.82 0.01 . 1 . . . . . 9 CYS HA . 16136 1
49 . 1 1 9 9 CYS HB2 H 1 2.53 0.01 . 2 . . . . . 9 CYS HB2 . 16136 1
50 . 1 1 9 9 CYS HB3 H 1 3.85 0.01 . 2 . . . . . 9 CYS HB3 . 16136 1
51 . 1 1 9 9 CYS CA C 13 56.0 0.1 . 1 . . . . . 9 CYS CA . 16136 1
52 . 1 1 9 9 CYS CB C 13 40.7 0.1 . 1 . . . . . 9 CYS CB . 16136 1
53 . 1 1 9 9 CYS N N 15 112.7 0.1 . 1 . . . . . 9 CYS N . 16136 1
54 . 1 1 10 10 CYS H H 1 8.29 0.01 . 1 . . . . . 10 CYS H . 16136 1
55 . 1 1 10 10 CYS HA H 1 5.09 0.01 . 1 . . . . . 10 CYS HA . 16136 1
56 . 1 1 10 10 CYS HB2 H 1 2.43 0.01 . 2 . . . . . 10 CYS HB2 . 16136 1
57 . 1 1 10 10 CYS HB3 H 1 3.44 0.01 . 2 . . . . . 10 CYS HB3 . 16136 1
58 . 1 1 10 10 CYS CA C 13 54.5 0.1 . 1 . . . . . 10 CYS CA . 16136 1
59 . 1 1 10 10 CYS N N 15 118.4 0.1 . 1 . . . . . 10 CYS N . 16136 1
60 . 1 1 11 11 ARG H H 1 8.99 0.01 . 1 . . . . . 11 ARG H . 16136 1
61 . 1 1 11 11 ARG HA H 1 4.55 0.01 . 1 . . . . . 11 ARG HA . 16136 1
62 . 1 1 11 11 ARG HB2 H 1 1.73 0.01 . 2 . . . . . 11 ARG HB2 . 16136 1
63 . 1 1 11 11 ARG HD2 H 1 3.21 0.01 . 1 . . . . . 11 ARG HD2 . 16136 1
64 . 1 1 11 11 ARG HD3 H 1 3.21 0.01 . 1 . . . . . 11 ARG HD3 . 16136 1
65 . 1 1 11 11 ARG HE H 1 7.29 0.01 . 1 . . . . . 11 ARG HE . 16136 1
66 . 1 1 11 11 ARG HG2 H 1 1.42 0.01 . 2 . . . . . 11 ARG HG2 . 16136 1
67 . 1 1 11 11 ARG HG3 H 1 1.61 0.01 . 2 . . . . . 11 ARG HG3 . 16136 1
68 . 1 1 11 11 ARG CA C 13 55.5 0.1 . 1 . . . . . 11 ARG CA . 16136 1
69 . 1 1 11 11 ARG CD C 13 43.3 0.1 . 1 . . . . . 11 ARG CD . 16136 1
70 . 1 1 11 11 ARG CG C 13 27.2 0.1 . 1 . . . . . 11 ARG CG . 16136 1
71 . 1 1 11 11 ARG N N 15 122.1 0.1 . 1 . . . . . 11 ARG N . 16136 1
72 . 1 1 11 11 ARG NE N 15 109.3 0.1 . 1 . . . . . 11 ARG NE . 16136 1
73 . 1 1 12 12 GLN H H 1 9.64 0.01 . 1 . . . . . 12 GLN H . 16136 1
74 . 1 1 12 12 GLN HA H 1 3.87 0.01 . 1 . . . . . 12 GLN HA . 16136 1
75 . 1 1 12 12 GLN HB2 H 1 2.06 0.01 . 2 . . . . . 12 GLN HB2 . 16136 1
76 . 1 1 12 12 GLN HB3 H 1 2.22 0.01 . 2 . . . . . 12 GLN HB3 . 16136 1
77 . 1 1 12 12 GLN HE21 H 1 6.84 0.01 . 2 . . . . . 12 GLN HE21 . 16136 1
78 . 1 1 12 12 GLN HE22 H 1 7.51 0.01 . 2 . . . . . 12 GLN HE22 . 16136 1
79 . 1 1 12 12 GLN HG2 H 1 2.30 0.01 . 2 . . . . . 12 GLN HG2 . 16136 1
80 . 1 1 12 12 GLN HG3 H 1 2.37 0.01 . 2 . . . . . 12 GLN HG3 . 16136 1
81 . 1 1 12 12 GLN CA C 13 57.6 0.1 . 1 . . . . . 12 GLN CA . 16136 1
82 . 1 1 12 12 GLN CB C 13 26.6 0.1 . 1 . . . . . 12 GLN CB . 16136 1
83 . 1 1 12 12 GLN CG C 13 34.4 0.1 . 1 . . . . . 12 GLN CG . 16136 1
84 . 1 1 12 12 GLN N N 15 127.1 0.1 . 1 . . . . . 12 GLN N . 16136 1
85 . 1 1 12 12 GLN NE2 N 15 112.2 0.1 . 1 . . . . . 12 GLN NE2 . 16136 1
86 . 1 1 13 13 CYS H H 1 8.71 0.01 . 1 . . . . . 13 CYS H . 16136 1
87 . 1 1 13 13 CYS HA H 1 3.53 0.01 . 1 . . . . . 13 CYS HA . 16136 1
88 . 1 1 13 13 CYS HB2 H 1 3.29 0.01 . 1 . . . . . 13 CYS HB2 . 16136 1
89 . 1 1 13 13 CYS HB3 H 1 3.29 0.01 . 1 . . . . . 13 CYS HB3 . 16136 1
90 . 1 1 13 13 CYS N N 15 108.6 0.1 . 1 . . . . . 13 CYS N . 16136 1
91 . 1 1 14 14 LYS H H 1 7.99 0.01 . 1 . . . . . 14 LYS H . 16136 1
92 . 1 1 14 14 LYS HA H 1 4.59 0.01 . 1 . . . . . 14 LYS HA . 16136 1
93 . 1 1 14 14 LYS HB2 H 1 1.82 0.01 . 1 . . . . . 14 LYS HB2 . 16136 1
94 . 1 1 14 14 LYS HB3 H 1 1.82 0.01 . 1 . . . . . 14 LYS HB3 . 16136 1
95 . 1 1 14 14 LYS HD2 H 1 1.67 0.01 . 1 . . . . . 14 LYS HD2 . 16136 1
96 . 1 1 14 14 LYS HD3 H 1 1.67 0.01 . 1 . . . . . 14 LYS HD3 . 16136 1
97 . 1 1 14 14 LYS HE2 H 1 3.00 0.01 . 1 . . . . . 14 LYS HE2 . 16136 1
98 . 1 1 14 14 LYS HE3 H 1 3.00 0.01 . 1 . . . . . 14 LYS HE3 . 16136 1
99 . 1 1 14 14 LYS HG2 H 1 1.41 0.01 . 2 . . . . . 14 LYS HG2 . 16136 1
100 . 1 1 14 14 LYS HG3 H 1 1.45 0.01 . 2 . . . . . 14 LYS HG3 . 16136 1
101 . 1 1 14 14 LYS CA C 13 54.5 0.1 . 1 . . . . . 14 LYS CA . 16136 1
102 . 1 1 14 14 LYS CB C 13 34.0 0.1 . 1 . . . . . 14 LYS CB . 16136 1
103 . 1 1 14 14 LYS CD C 13 28.7 0.1 . 1 . . . . . 14 LYS CD . 16136 1
104 . 1 1 14 14 LYS CE C 13 42.0 0.1 . 1 . . . . . 14 LYS CE . 16136 1
105 . 1 1 14 14 LYS CG C 13 24.7 0.1 . 1 . . . . . 14 LYS CG . 16136 1
106 . 1 1 14 14 LYS N N 15 121.1 0.1 . 1 . . . . . 14 LYS N . 16136 1
107 . 1 1 15 15 LEU H H 1 8.55 0.01 . 1 . . . . . 15 LEU H . 16136 1
108 . 1 1 15 15 LEU HA H 1 4.21 0.01 . 1 . . . . . 15 LEU HA . 16136 1
109 . 1 1 15 15 LEU HB2 H 1 1.10 0.01 . 2 . . . . . 15 LEU HB2 . 16136 1
110 . 1 1 15 15 LEU HB3 H 1 1.56 0.01 . 2 . . . . . 15 LEU HB3 . 16136 1
111 . 1 1 15 15 LEU HD11 H 1 0.51 0.01 . 2 . . . . . 15 LEU MD1 . 16136 1
112 . 1 1 15 15 LEU HD12 H 1 0.51 0.01 . 2 . . . . . 15 LEU MD1 . 16136 1
113 . 1 1 15 15 LEU HD13 H 1 0.51 0.01 . 2 . . . . . 15 LEU MD1 . 16136 1
114 . 1 1 15 15 LEU HD21 H 1 0.82 0.01 . 2 . . . . . 15 LEU MD2 . 16136 1
115 . 1 1 15 15 LEU HD22 H 1 0.82 0.01 . 2 . . . . . 15 LEU MD2 . 16136 1
116 . 1 1 15 15 LEU HD23 H 1 0.82 0.01 . 2 . . . . . 15 LEU MD2 . 16136 1
117 . 1 1 15 15 LEU HG H 1 1.56 0.01 . 1 . . . . . 15 LEU HG . 16136 1
118 . 1 1 15 15 LEU CA C 13 56.1 0.1 . 1 . . . . . 15 LEU CA . 16136 1
119 . 1 1 15 15 LEU CB C 13 42.5 0.1 . 1 . . . . . 15 LEU CB . 16136 1
120 . 1 1 15 15 LEU CD1 C 13 24.4 0.1 . 2 . . . . . 15 LEU CD1 . 16136 1
121 . 1 1 15 15 LEU CD2 C 13 25.2 0.1 . 2 . . . . . 15 LEU CD2 . 16136 1
122 . 1 1 15 15 LEU CG C 13 27.2 0.1 . 1 . . . . . 15 LEU CG . 16136 1
123 . 1 1 15 15 LEU N N 15 125.0 0.1 . 1 . . . . . 15 LEU N . 16136 1
124 . 1 1 16 16 LYS H H 1 8.67 0.01 . 1 . . . . . 16 LYS H . 16136 1
125 . 1 1 16 16 LYS HA H 1 4.44 0.01 . 1 . . . . . 16 LYS HA . 16136 1
126 . 1 1 16 16 LYS HB2 H 1 1.68 0.01 . 2 . . . . . 16 LYS HB2 . 16136 1
127 . 1 1 16 16 LYS HB3 H 1 1.76 0.01 . 2 . . . . . 16 LYS HB3 . 16136 1
128 . 1 1 16 16 LYS HD2 H 1 1.69 0.01 . 2 . . . . . 16 LYS HD2 . 16136 1
129 . 1 1 16 16 LYS HD3 H 1 1.83 0.01 . 2 . . . . . 16 LYS HD3 . 16136 1
130 . 1 1 16 16 LYS HE2 H 1 2.69 0.01 . 2 . . . . . 16 LYS HE2 . 16136 1
131 . 1 1 16 16 LYS HE3 H 1 2.84 0.01 . 2 . . . . . 16 LYS HE3 . 16136 1
132 . 1 1 16 16 LYS HG2 H 1 1.03 0.01 . 2 . . . . . 16 LYS HG2 . 16136 1
133 . 1 1 16 16 LYS HG3 H 1 1.42 0.01 . 2 . . . . . 16 LYS HG3 . 16136 1
134 . 1 1 16 16 LYS CA C 13 55.2 0.1 . 1 . . . . . 16 LYS CA . 16136 1
135 . 1 1 16 16 LYS CB C 13 31.6 0.1 . 1 . . . . . 16 LYS CB . 16136 1
136 . 1 1 16 16 LYS CD C 13 30.4 0.1 . 1 . . . . . 16 LYS CD . 16136 1
137 . 1 1 16 16 LYS CE C 13 42.2 0.1 . 1 . . . . . 16 LYS CE . 16136 1
138 . 1 1 16 16 LYS CG C 13 26.8 0.1 . 1 . . . . . 16 LYS CG . 16136 1
139 . 1 1 16 16 LYS N N 15 123.8 0.1 . 1 . . . . . 16 LYS N . 16136 1
140 . 1 1 17 17 PRO HA H 1 4.38 0.01 . 1 . . . . . 17 PRO HA . 16136 1
141 . 1 1 17 17 PRO HB2 H 1 1.77 0.01 . 2 . . . . . 17 PRO HB2 . 16136 1
142 . 1 1 17 17 PRO HB3 H 1 2.33 0.01 . 2 . . . . . 17 PRO HB3 . 16136 1
143 . 1 1 17 17 PRO HD2 H 1 3.52 0.01 . 2 . . . . . 17 PRO HD2 . 16136 1
144 . 1 1 17 17 PRO HD3 H 1 3.78 0.01 . 2 . . . . . 17 PRO HD3 . 16136 1
145 . 1 1 17 17 PRO HG2 H 1 1.92 0.01 . 2 . . . . . 17 PRO HG2 . 16136 1
146 . 1 1 17 17 PRO HG3 H 1 2.01 0.01 . 2 . . . . . 17 PRO HG3 . 16136 1
147 . 1 1 17 17 PRO CA C 13 62.2 0.1 . 1 . . . . . 17 PRO CA . 16136 1
148 . 1 1 17 17 PRO CB C 13 32.6 0.1 . 1 . . . . . 17 PRO CB . 16136 1
149 . 1 1 17 17 PRO CD C 13 50.4 0.1 . 1 . . . . . 17 PRO CD . 16136 1
150 . 1 1 17 17 PRO CG C 13 27.5 0.1 . 1 . . . . . 17 PRO CG . 16136 1
151 . 1 1 18 18 ALA H H 1 8.86 0.01 . 1 . . . . . 18 ALA H . 16136 1
152 . 1 1 18 18 ALA HA H 1 3.84 0.01 . 1 . . . . . 18 ALA HA . 16136 1
153 . 1 1 18 18 ALA HB1 H 1 1.26 0.01 . 1 . . . . . 18 ALA MB . 16136 1
154 . 1 1 18 18 ALA HB2 H 1 1.26 0.01 . 1 . . . . . 18 ALA MB . 16136 1
155 . 1 1 18 18 ALA HB3 H 1 1.26 0.01 . 1 . . . . . 18 ALA MB . 16136 1
156 . 1 1 18 18 ALA CA C 13 52.8 0.1 . 1 . . . . . 18 ALA CA . 16136 1
157 . 1 1 18 18 ALA CB C 13 18.0 0.1 . 1 . . . . . 18 ALA CB . 16136 1
158 . 1 1 18 18 ALA N N 15 125.1 0.1 . 1 . . . . . 18 ALA N . 16136 1
159 . 1 1 19 19 GLY H H 1 8.40 0.01 . 1 . . . . . 19 GLY H . 16136 1
160 . 1 1 19 19 GLY HA2 H 1 3.42 0.01 . 2 . . . . . 19 GLY HA2 . 16136 1
161 . 1 1 19 19 GLY HA3 H 1 4.29 0.01 . 2 . . . . . 19 GLY HA3 . 16136 1
162 . 1 1 19 19 GLY CA C 13 45.0 0.1 . 1 . . . . . 19 GLY CA . 16136 1
163 . 1 1 19 19 GLY N N 15 109.5 0.1 . 1 . . . . . 19 GLY N . 16136 1
164 . 1 1 20 20 THR H H 1 7.49 0.01 . 1 . . . . . 20 THR H . 16136 1
165 . 1 1 20 20 THR HA H 1 4.18 0.01 . 1 . . . . . 20 THR HA . 16136 1
166 . 1 1 20 20 THR HB H 1 3.73 0.01 . 1 . . . . . 20 THR HB . 16136 1
167 . 1 1 20 20 THR HG21 H 1 1.33 0.01 . 1 . . . . . 20 THR MG . 16136 1
168 . 1 1 20 20 THR HG22 H 1 1.33 0.01 . 1 . . . . . 20 THR MG . 16136 1
169 . 1 1 20 20 THR HG23 H 1 1.33 0.01 . 1 . . . . . 20 THR MG . 16136 1
170 . 1 1 20 20 THR CA C 13 63.7 0.1 . 1 . . . . . 20 THR CA . 16136 1
171 . 1 1 20 20 THR CB C 13 69.8 0.1 . 1 . . . . . 20 THR CB . 16136 1
172 . 1 1 20 20 THR CG2 C 13 21.7 0.1 . 1 . . . . . 20 THR CG2 . 16136 1
173 . 1 1 20 20 THR N N 15 117.0 0.1 . 1 . . . . . 20 THR N . 16136 1
174 . 1 1 21 21 THR H H 1 9.14 0.01 . 1 . . . . . 21 THR H . 16136 1
175 . 1 1 21 21 THR HA H 1 4.31 0.01 . 1 . . . . . 21 THR HA . 16136 1
176 . 1 1 21 21 THR HB H 1 4.07 0.01 . 1 . . . . . 21 THR HB . 16136 1
177 . 1 1 21 21 THR HG21 H 1 1.12 0.01 . 1 . . . . . 21 THR MG . 16136 1
178 . 1 1 21 21 THR HG22 H 1 1.12 0.01 . 1 . . . . . 21 THR MG . 16136 1
179 . 1 1 21 21 THR HG23 H 1 1.12 0.01 . 1 . . . . . 21 THR MG . 16136 1
180 . 1 1 21 21 THR CA C 13 64.7 0.1 . 1 . . . . . 21 THR CA . 16136 1
181 . 1 1 21 21 THR CB C 13 69.0 0.1 . 1 . . . . . 21 THR CB . 16136 1
182 . 1 1 21 21 THR CG2 C 13 22.0 0.1 . 1 . . . . . 21 THR CG2 . 16136 1
183 . 1 1 21 21 THR N N 15 125.2 0.1 . 1 . . . . . 21 THR N . 16136 1
184 . 1 1 22 22 CYS H H 1 8.98 0.01 . 1 . . . . . 22 CYS H . 16136 1
185 . 1 1 22 22 CYS HA H 1 4.94 0.01 . 1 . . . . . 22 CYS HA . 16136 1
186 . 1 1 22 22 CYS HB2 H 1 2.88 0.01 . 2 . . . . . 22 CYS HB2 . 16136 1
187 . 1 1 22 22 CYS HB3 H 1 3.06 0.01 . 2 . . . . . 22 CYS HB3 . 16136 1
188 . 1 1 22 22 CYS CA C 13 54.7 0.1 . 1 . . . . . 22 CYS CA . 16136 1
189 . 1 1 22 22 CYS CB C 13 43.9 0.1 . 1 . . . . . 22 CYS CB . 16136 1
190 . 1 1 22 22 CYS N N 15 121.1 0.1 . 1 . . . . . 22 CYS N . 16136 1
191 . 1 1 23 23 TRP H H 1 8.03 0.01 . 1 . . . . . 23 TRP H . 16136 1
192 . 1 1 23 23 TRP HA H 1 4.71 0.01 . 1 . . . . . 23 TRP HA . 16136 1
193 . 1 1 23 23 TRP HB2 H 1 2.76 0.01 . 2 . . . . . 23 TRP HB2 . 16136 1
194 . 1 1 23 23 TRP HB3 H 1 3.32 0.01 . 2 . . . . . 23 TRP HB3 . 16136 1
195 . 1 1 23 23 TRP HD1 H 1 6.91 0.01 . 1 . . . . . 23 TRP HD1 . 16136 1
196 . 1 1 23 23 TRP HE1 H 1 9.99 0.01 . 1 . . . . . 23 TRP HE1 . 16136 1
197 . 1 1 23 23 TRP HH2 H 1 7.11 0.01 . 1 . . . . . 23 TRP HH2 . 16136 1
198 . 1 1 23 23 TRP HZ2 H 1 7.36 0.01 . 1 . . . . . 23 TRP HZ2 . 16136 1
199 . 1 1 23 23 TRP HZ3 H 1 6.81 0.01 . 1 . . . . . 23 TRP HZ3 . 16136 1
200 . 1 1 23 23 TRP CA C 13 57.5 0.1 . 1 . . . . . 23 TRP CA . 16136 1
201 . 1 1 23 23 TRP N N 15 123.1 0.1 . 1 . . . . . 23 TRP N . 16136 1
202 . 1 1 23 23 TRP NE1 N 15 129.3 0.1 . 1 . . . . . 23 TRP NE1 . 16136 1
203 . 1 1 24 24 ARG H H 1 8.08 0.01 . 1 . . . . . 24 ARG H . 16136 1
204 . 1 1 24 24 ARG HA H 1 4.62 0.01 . 1 . . . . . 24 ARG HA . 16136 1
205 . 1 1 24 24 ARG HB2 H 1 1.55 0.01 . 2 . . . . . 24 ARG HB2 . 16136 1
206 . 1 1 24 24 ARG HB3 H 1 1.66 0.01 . 2 . . . . . 24 ARG HB3 . 16136 1
207 . 1 1 24 24 ARG HD2 H 1 3.01 0.01 . 2 . . . . . 24 ARG HD2 . 16136 1
208 . 1 1 24 24 ARG HD3 H 1 3.05 0.01 . 2 . . . . . 24 ARG HD3 . 16136 1
209 . 1 1 24 24 ARG HE H 1 7.04 0.01 . 1 . . . . . 24 ARG HE . 16136 1
210 . 1 1 24 24 ARG HG2 H 1 1.41 0.01 . 2 . . . . . 24 ARG HG2 . 16136 1
211 . 1 1 24 24 ARG HG3 H 1 1.44 0.01 . 2 . . . . . 24 ARG HG3 . 16136 1
212 . 1 1 24 24 ARG CB C 13 32.4 0.1 . 1 . . . . . 24 ARG CB . 16136 1
213 . 1 1 24 24 ARG CD C 13 43.3 0.1 . 1 . . . . . 24 ARG CD . 16136 1
214 . 1 1 24 24 ARG CG C 13 26.8 0.1 . 1 . . . . . 24 ARG CG . 16136 1
215 . 1 1 24 24 ARG N N 15 125.6 0.1 . 1 . . . . . 24 ARG N . 16136 1
216 . 1 1 24 24 ARG NE N 15 109.6 0.1 . 1 . . . . . 24 ARG NE . 16136 1
217 . 1 1 25 25 THR H H 1 8.28 0.01 . 1 . . . . . 25 THR H . 16136 1
218 . 1 1 25 25 THR HA H 1 4.47 0.01 . 1 . . . . . 25 THR HA . 16136 1
219 . 1 1 25 25 THR HB H 1 4.49 0.01 . 1 . . . . . 25 THR HB . 16136 1
220 . 1 1 25 25 THR HG21 H 1 0.93 0.01 . 1 . . . . . 25 THR MG . 16136 1
221 . 1 1 25 25 THR HG22 H 1 0.93 0.01 . 1 . . . . . 25 THR MG . 16136 1
222 . 1 1 25 25 THR HG23 H 1 0.93 0.01 . 1 . . . . . 25 THR MG . 16136 1
223 . 1 1 25 25 THR CA C 13 59.9 0.1 . 1 . . . . . 25 THR CA . 16136 1
224 . 1 1 25 25 THR CG2 C 13 21.4 0.1 . 1 . . . . . 25 THR CG2 . 16136 1
225 . 1 1 25 25 THR N N 15 114.5 0.1 . 1 . . . . . 25 THR N . 16136 1
226 . 1 1 26 26 SER H H 1 8.57 0.01 . 1 . . . . . 26 SER H . 16136 1
227 . 1 1 26 26 SER HA H 1 4.18 0.01 . 1 . . . . . 26 SER HA . 16136 1
228 . 1 1 26 26 SER HB2 H 1 3.92 0.01 . 1 . . . . . 26 SER HB2 . 16136 1
229 . 1 1 26 26 SER HB3 H 1 3.92 0.01 . 1 . . . . . 26 SER HB3 . 16136 1
230 . 1 1 26 26 SER CA C 13 60.4 0.1 . 1 . . . . . 26 SER CA . 16136 1
231 . 1 1 26 26 SER CB C 13 62.9 0.1 . 1 . . . . . 26 SER CB . 16136 1
232 . 1 1 26 26 SER N N 15 114.2 0.1 . 1 . . . . . 26 SER N . 16136 1
233 . 1 1 27 27 VAL H H 1 7.68 0.01 . 1 . . . . . 27 VAL H . 16136 1
234 . 1 1 27 27 VAL HA H 1 4.32 0.01 . 1 . . . . . 27 VAL HA . 16136 1
235 . 1 1 27 27 VAL HB H 1 2.17 0.01 . 1 . . . . . 27 VAL HB . 16136 1
236 . 1 1 27 27 VAL HG11 H 1 0.85 0.01 . 2 . . . . . 27 VAL MG1 . 16136 1
237 . 1 1 27 27 VAL HG12 H 1 0.85 0.01 . 2 . . . . . 27 VAL MG1 . 16136 1
238 . 1 1 27 27 VAL HG13 H 1 0.85 0.01 . 2 . . . . . 27 VAL MG1 . 16136 1
239 . 1 1 27 27 VAL HG21 H 1 0.88 0.01 . 2 . . . . . 27 VAL MG2 . 16136 1
240 . 1 1 27 27 VAL HG22 H 1 0.88 0.01 . 2 . . . . . 27 VAL MG2 . 16136 1
241 . 1 1 27 27 VAL HG23 H 1 0.88 0.01 . 2 . . . . . 27 VAL MG2 . 16136 1
242 . 1 1 27 27 VAL CA C 13 62.6 0.1 . 1 . . . . . 27 VAL CA . 16136 1
243 . 1 1 27 27 VAL CB C 13 33.3 0.1 . 1 . . . . . 27 VAL CB . 16136 1
244 . 1 1 27 27 VAL CG1 C 13 19.5 0.1 . 2 . . . . . 27 VAL CG1 . 16136 1
245 . 1 1 27 27 VAL CG2 C 13 21.2 0.1 . 2 . . . . . 27 VAL CG2 . 16136 1
246 . 1 1 27 27 VAL N N 15 114.2 0.1 . 1 . . . . . 27 VAL N . 16136 1
247 . 1 1 28 28 SER H H 1 7.54 0.01 . 1 . . . . . 28 SER H . 16136 1
248 . 1 1 28 28 SER HA H 1 4.71 0.01 . 1 . . . . . 28 SER HA . 16136 1
249 . 1 1 28 28 SER HB2 H 1 3.75 0.01 . 2 . . . . . 28 SER HB2 . 16136 1
250 . 1 1 28 28 SER HB3 H 1 3.78 0.01 . 2 . . . . . 28 SER HB3 . 16136 1
251 . 1 1 28 28 SER CA C 13 57.5 0.1 . 1 . . . . . 28 SER CA . 16136 1
252 . 1 1 28 28 SER CB C 13 65.1 0.1 . 1 . . . . . 28 SER CB . 16136 1
253 . 1 1 28 28 SER N N 15 115.5 0.1 . 1 . . . . . 28 SER N . 16136 1
254 . 1 1 29 29 SER H H 1 8.33 0.01 . 1 . . . . . 29 SER H . 16136 1
255 . 1 1 29 29 SER HA H 1 4.91 0.01 . 1 . . . . . 29 SER HA . 16136 1
256 . 1 1 29 29 SER HB2 H 1 3.31 0.01 . 2 . . . . . 29 SER HB2 . 16136 1
257 . 1 1 29 29 SER HB3 H 1 3.49 0.01 . 2 . . . . . 29 SER HB3 . 16136 1
258 . 1 1 29 29 SER N N 15 117.2 0.1 . 1 . . . . . 29 SER N . 16136 1
259 . 1 1 30 30 HIS H H 1 8.73 0.01 . 1 . . . . . 30 HIS H . 16136 1
260 . 1 1 30 30 HIS HA H 1 4.85 0.01 . 1 . . . . . 30 HIS HA . 16136 1
261 . 1 1 30 30 HIS HB2 H 1 2.97 0.01 . 2 . . . . . 30 HIS HB2 . 16136 1
262 . 1 1 30 30 HIS HB3 H 1 3.12 0.01 . 2 . . . . . 30 HIS HB3 . 16136 1
263 . 1 1 30 30 HIS HD2 H 1 6.95 0.01 . 1 . . . . . 30 HIS HD2 . 16136 1
264 . 1 1 30 30 HIS HE1 H 1 8.11 0.01 . 1 . . . . . 30 HIS HE1 . 16136 1
265 . 1 1 30 30 HIS CB C 13 32.4 0.1 . 1 . . . . . 30 HIS CB . 16136 1
266 . 1 1 30 30 HIS N N 15 119.8 0.1 . 1 . . . . . 30 HIS N . 16136 1
267 . 1 1 31 31 TYR H H 1 8.61 0.01 . 1 . . . . . 31 TYR H . 16136 1
268 . 1 1 31 31 TYR HA H 1 5.30 0.01 . 1 . . . . . 31 TYR HA . 16136 1
269 . 1 1 31 31 TYR HB2 H 1 2.64 0.01 . 2 . . . . . 31 TYR HB2 . 16136 1
270 . 1 1 31 31 TYR HB3 H 1 2.70 0.01 . 2 . . . . . 31 TYR HB3 . 16136 1
271 . 1 1 31 31 TYR HD1 H 1 6.93 0.01 . 1 . . . . . 31 TYR HD1 . 16136 1
272 . 1 1 31 31 TYR HD2 H 1 6.93 0.01 . 1 . . . . . 31 TYR HD2 . 16136 1
273 . 1 1 31 31 TYR HE1 H 1 6.74 0.01 . 1 . . . . . 31 TYR HE1 . 16136 1
274 . 1 1 31 31 TYR HE2 H 1 6.74 0.01 . 1 . . . . . 31 TYR HE2 . 16136 1
275 . 1 1 31 31 TYR CA C 13 56.5 0.1 . 1 . . . . . 31 TYR CA . 16136 1
276 . 1 1 31 31 TYR CB C 13 42.2 0.1 . 1 . . . . . 31 TYR CB . 16136 1
277 . 1 1 31 31 TYR N N 15 120.0 0.1 . 1 . . . . . 31 TYR N . 16136 1
278 . 1 1 32 32 CYS H H 1 9.43 0.01 . 1 . . . . . 32 CYS H . 16136 1
279 . 1 1 32 32 CYS HA H 1 4.87 0.01 . 1 . . . . . 32 CYS HA . 16136 1
280 . 1 1 32 32 CYS HB2 H 1 2.61 0.01 . 2 . . . . . 32 CYS HB2 . 16136 1
281 . 1 1 32 32 CYS HB3 H 1 3.90 0.01 . 2 . . . . . 32 CYS HB3 . 16136 1
282 . 1 1 32 32 CYS CA C 13 53.7 0.1 . 1 . . . . . 32 CYS CA . 16136 1
283 . 1 1 32 32 CYS CB C 13 37.6 0.1 . 1 . . . . . 32 CYS CB . 16136 1
284 . 1 1 32 32 CYS N N 15 120.0 0.1 . 1 . . . . . 32 CYS N . 16136 1
285 . 1 1 33 33 THR H H 1 10.00 0.01 . 1 . . . . . 33 THR H . 16136 1
286 . 1 1 33 33 THR HA H 1 4.47 0.01 . 1 . . . . . 33 THR HA . 16136 1
287 . 1 1 33 33 THR HB H 1 4.51 0.01 . 1 . . . . . 33 THR HB . 16136 1
288 . 1 1 33 33 THR HG1 H 1 5.77 0.01 . 1 . . . . . 33 THR HG1 . 16136 1
289 . 1 1 33 33 THR HG21 H 1 1.44 0.01 . 1 . . . . . 33 THR MG . 16136 1
290 . 1 1 33 33 THR HG22 H 1 1.44 0.01 . 1 . . . . . 33 THR MG . 16136 1
291 . 1 1 33 33 THR HG23 H 1 1.44 0.01 . 1 . . . . . 33 THR MG . 16136 1
292 . 1 1 33 33 THR CA C 13 62.4 0.1 . 1 . . . . . 33 THR CA . 16136 1
293 . 1 1 33 33 THR CB C 13 71.5 0.1 . 1 . . . . . 33 THR CB . 16136 1
294 . 1 1 33 33 THR CG2 C 13 21.4 0.1 . 1 . . . . . 33 THR CG2 . 16136 1
295 . 1 1 33 33 THR N N 15 112.6 0.1 . 1 . . . . . 33 THR N . 16136 1
296 . 1 1 34 34 GLY H H 1 8.34 0.01 . 1 . . . . . 34 GLY H . 16136 1
297 . 1 1 34 34 GLY HA2 H 1 4.17 0.01 . 2 . . . . . 34 GLY HA2 . 16136 1
298 . 1 1 34 34 GLY HA3 H 1 4.38 0.01 . 2 . . . . . 34 GLY HA3 . 16136 1
299 . 1 1 34 34 GLY CA C 13 45.6 0.1 . 1 . . . . . 34 GLY CA . 16136 1
300 . 1 1 34 34 GLY N N 15 110.7 0.1 . 1 . . . . . 34 GLY N . 16136 1
301 . 1 1 35 35 ARG H H 1 8.15 0.01 . 1 . . . . . 35 ARG H . 16136 1
302 . 1 1 35 35 ARG HA H 1 4.58 0.01 . 1 . . . . . 35 ARG HA . 16136 1
303 . 1 1 35 35 ARG HB2 H 1 1.63 0.01 . 2 . . . . . 35 ARG HB2 . 16136 1
304 . 1 1 35 35 ARG HB3 H 1 1.98 0.01 . 2 . . . . . 35 ARG HB3 . 16136 1
305 . 1 1 35 35 ARG HD2 H 1 3.17 0.01 . 2 . . . . . 35 ARG HD2 . 16136 1
306 . 1 1 35 35 ARG HD3 H 1 3.21 0.01 . 2 . . . . . 35 ARG HD3 . 16136 1
307 . 1 1 35 35 ARG HE H 1 7.21 0.01 . 1 . . . . . 35 ARG HE . 16136 1
308 . 1 1 35 35 ARG HG2 H 1 1.51 0.01 . 1 . . . . . 35 ARG HG2 . 16136 1
309 . 1 1 35 35 ARG HG3 H 1 1.51 0.01 . 1 . . . . . 35 ARG HG3 . 16136 1
310 . 1 1 35 35 ARG CA C 13 55.5 0.1 . 1 . . . . . 35 ARG CA . 16136 1
311 . 1 1 35 35 ARG CB C 13 32.3 0.1 . 1 . . . . . 35 ARG CB . 16136 1
312 . 1 1 35 35 ARG CD C 13 43.0 0.1 . 1 . . . . . 35 ARG CD . 16136 1
313 . 1 1 35 35 ARG CG C 13 27.1 0.1 . 1 . . . . . 35 ARG CG . 16136 1
314 . 1 1 35 35 ARG N N 15 114.6 0.1 . 1 . . . . . 35 ARG N . 16136 1
315 . 1 1 35 35 ARG NE N 15 109.9 0.1 . 1 . . . . . 35 ARG NE . 16136 1
316 . 1 1 36 36 SER H H 1 7.16 0.01 . 1 . . . . . 36 SER H . 16136 1
317 . 1 1 36 36 SER HA H 1 4.63 0.01 . 1 . . . . . 36 SER HA . 16136 1
318 . 1 1 36 36 SER HB2 H 1 3.69 0.01 . 2 . . . . . 36 SER HB2 . 16136 1
319 . 1 1 36 36 SER HB3 H 1 4.06 0.01 . 2 . . . . . 36 SER HB3 . 16136 1
320 . 1 1 36 36 SER CA C 13 56.3 0.1 . 1 . . . . . 36 SER CA . 16136 1
321 . 1 1 36 36 SER CB C 13 64.8 0.1 . 1 . . . . . 36 SER CB . 16136 1
322 . 1 1 36 36 SER N N 15 112.6 0.1 . 1 . . . . . 36 SER N . 16136 1
323 . 1 1 37 37 CYS H H 1 9.12 0.01 . 1 . . . . . 37 CYS H . 16136 1
324 . 1 1 37 37 CYS HA H 1 4.43 0.01 . 1 . . . . . 37 CYS HA . 16136 1
325 . 1 1 37 37 CYS HB2 H 1 2.64 0.01 . 2 . . . . . 37 CYS HB2 . 16136 1
326 . 1 1 37 37 CYS HB3 H 1 2.82 0.01 . 2 . . . . . 37 CYS HB3 . 16136 1
327 . 1 1 37 37 CYS N N 15 118.8 0.1 . 1 . . . . . 37 CYS N . 16136 1
328 . 1 1 38 38 GLU H H 1 8.46 0.01 . 1 . . . . . 38 GLU H . 16136 1
329 . 1 1 38 38 GLU HA H 1 4.24 0.01 . 1 . . . . . 38 GLU HA . 16136 1
330 . 1 1 38 38 GLU HB2 H 1 1.83 0.01 . 2 . . . . . 38 GLU HB2 . 16136 1
331 . 1 1 38 38 GLU HB3 H 1 1.87 0.01 . 2 . . . . . 38 GLU HB3 . 16136 1
332 . 1 1 38 38 GLU HG2 H 1 2.09 0.01 . 2 . . . . . 38 GLU HG2 . 16136 1
333 . 1 1 38 38 GLU HG3 H 1 2.18 0.01 . 2 . . . . . 38 GLU HG3 . 16136 1
334 . 1 1 38 38 GLU CA C 13 56.2 0.1 . 1 . . . . . 38 GLU CA . 16136 1
335 . 1 1 38 38 GLU CB C 13 30.2 0.1 . 1 . . . . . 38 GLU CB . 16136 1
336 . 1 1 38 38 GLU CG C 13 36.0 0.1 . 1 . . . . . 38 GLU CG . 16136 1
337 . 1 1 38 38 GLU N N 15 122.4 0.1 . 1 . . . . . 38 GLU N . 16136 1
338 . 1 1 39 39 CYS H H 1 9.09 0.01 . 1 . . . . . 39 CYS H . 16136 1
339 . 1 1 39 39 CYS HA H 1 5.34 0.01 . 1 . . . . . 39 CYS HA . 16136 1
340 . 1 1 39 39 CYS HB2 H 1 2.65 0.01 . 2 . . . . . 39 CYS HB2 . 16136 1
341 . 1 1 39 39 CYS HB3 H 1 2.86 0.01 . 2 . . . . . 39 CYS HB3 . 16136 1
342 . 1 1 39 39 CYS CA C 13 51.6 0.1 . 1 . . . . . 39 CYS CA . 16136 1
343 . 1 1 39 39 CYS CB C 13 39.1 0.1 . 1 . . . . . 39 CYS CB . 16136 1
344 . 1 1 39 39 CYS N N 15 124.2 0.1 . 1 . . . . . 39 CYS N . 16136 1
345 . 1 1 40 40 PRO HA H 1 4.24 0.01 . 1 . . . . . 40 PRO HA . 16136 1
346 . 1 1 40 40 PRO HB2 H 1 1.67 0.01 . 2 . . . . . 40 PRO HB2 . 16136 1
347 . 1 1 40 40 PRO HB3 H 1 2.07 0.01 . 2 . . . . . 40 PRO HB3 . 16136 1
348 . 1 1 40 40 PRO HD2 H 1 3.52 0.01 . 2 . . . . . 40 PRO HD2 . 16136 1
349 . 1 1 40 40 PRO HD3 H 1 4.01 0.01 . 2 . . . . . 40 PRO HD3 . 16136 1
350 . 1 1 40 40 PRO HG2 H 1 2.01 0.01 . 2 . . . . . 40 PRO HG2 . 16136 1
351 . 1 1 40 40 PRO HG3 H 1 2.21 0.01 . 2 . . . . . 40 PRO HG3 . 16136 1
352 . 1 1 40 40 PRO CA C 13 63.7 0.1 . 1 . . . . . 40 PRO CA . 16136 1
353 . 1 1 40 40 PRO CB C 13 32.2 0.1 . 1 . . . . . 40 PRO CB . 16136 1
354 . 1 1 40 40 PRO CD C 13 52.2 0.1 . 1 . . . . . 40 PRO CD . 16136 1
355 . 1 1 40 40 PRO CG C 13 28.1 0.1 . 1 . . . . . 40 PRO CG . 16136 1
356 . 1 1 41 41 SER H H 1 8.35 0.01 . 1 . . . . . 41 SER H . 16136 1
357 . 1 1 41 41 SER HA H 1 3.86 0.01 . 1 . . . . . 41 SER HA . 16136 1
358 . 1 1 41 41 SER HB2 H 1 3.60 0.01 . 2 . . . . . 41 SER HB2 . 16136 1
359 . 1 1 41 41 SER HB3 H 1 3.65 0.01 . 2 . . . . . 41 SER HB3 . 16136 1
360 . 1 1 41 41 SER CA C 13 58.5 0.1 . 1 . . . . . 41 SER CA . 16136 1
361 . 1 1 41 41 SER CB C 13 63.4 0.1 . 1 . . . . . 41 SER CB . 16136 1
362 . 1 1 41 41 SER N N 15 115.4 0.1 . 1 . . . . . 41 SER N . 16136 1
363 . 1 1 42 42 TYR H H 1 7.46 0.01 . 1 . . . . . 42 TYR H . 16136 1
364 . 1 1 42 42 TYR HA H 1 4.69 0.01 . 1 . . . . . 42 TYR HA . 16136 1
365 . 1 1 42 42 TYR HB2 H 1 2.77 0.01 . 2 . . . . . 42 TYR HB2 . 16136 1
366 . 1 1 42 42 TYR HB3 H 1 2.94 0.01 . 2 . . . . . 42 TYR HB3 . 16136 1
367 . 1 1 42 42 TYR HD1 H 1 6.96 0.01 . 1 . . . . . 42 TYR HD1 . 16136 1
368 . 1 1 42 42 TYR HD2 H 1 6.96 0.01 . 1 . . . . . 42 TYR HD2 . 16136 1
369 . 1 1 42 42 TYR HE1 H 1 6.73 0.01 . 1 . . . . . 42 TYR HE1 . 16136 1
370 . 1 1 42 42 TYR HE2 H 1 6.73 0.01 . 1 . . . . . 42 TYR HE2 . 16136 1
371 . 1 1 42 42 TYR CA C 13 54.3 0.1 . 1 . . . . . 42 TYR CA . 16136 1
372 . 1 1 42 42 TYR CB C 13 38.4 0.1 . 1 . . . . . 42 TYR CB . 16136 1
373 . 1 1 42 42 TYR N N 15 121.1 0.1 . 1 . . . . . 42 TYR N . 16136 1
374 . 1 1 43 43 PRO HA H 1 4.30 0.01 . 1 . . . . . 43 PRO HA . 16136 1
375 . 1 1 43 43 PRO HB2 H 1 1.92 0.01 . 2 . . . . . 43 PRO HB2 . 16136 1
376 . 1 1 43 43 PRO HB3 H 1 2.13 0.01 . 2 . . . . . 43 PRO HB3 . 16136 1
377 . 1 1 43 43 PRO HD2 H 1 3.38 0.01 . 2 . . . . . 43 PRO HD2 . 16136 1
378 . 1 1 43 43 PRO HD3 H 1 3.59 0.01 . 2 . . . . . 43 PRO HD3 . 16136 1
379 . 1 1 43 43 PRO HG2 H 1 1.93 0.01 . 1 . . . . . 43 PRO HG2 . 16136 1
380 . 1 1 43 43 PRO HG3 H 1 1.93 0.01 . 1 . . . . . 43 PRO HG3 . 16136 1
381 . 1 1 43 43 PRO CA C 13 63.1 0.1 . 1 . . . . . 43 PRO CA . 16136 1
382 . 1 1 43 43 PRO CB C 13 32.1 0.1 . 1 . . . . . 43 PRO CB . 16136 1
383 . 1 1 43 43 PRO CD C 13 50.4 0.1 . 1 . . . . . 43 PRO CD . 16136 1
384 . 1 1 43 43 PRO CG C 13 27.0 0.1 . 1 . . . . . 43 PRO CG . 16136 1
385 . 1 1 44 44 GLY H H 1 7.95 0.01 . 1 . . . . . 44 GLY H . 16136 1
386 . 1 1 44 44 GLY HA2 H 1 3.93 0.01 . 2 . . . . . 44 GLY HA2 . 16136 1
387 . 1 1 44 44 GLY HA3 H 1 3.98 0.01 . 2 . . . . . 44 GLY HA3 . 16136 1
388 . 1 1 44 44 GLY CA C 13 45.2 0.1 . 1 . . . . . 44 GLY CA . 16136 1
389 . 1 1 44 44 GLY N N 15 108.1 0.1 . 1 . . . . . 44 GLY N . 16136 1
390 . 1 1 45 45 ASN H H 1 8.33 0.01 . 1 . . . . . 45 ASN H . 16136 1
391 . 1 1 45 45 ASN HA H 1 4.79 0.01 . 1 . . . . . 45 ASN HA . 16136 1
392 . 1 1 45 45 ASN HB2 H 1 2.67 0.01 . 2 . . . . . 45 ASN HB2 . 16136 1
393 . 1 1 45 45 ASN HB3 H 1 2.80 0.01 . 2 . . . . . 45 ASN HB3 . 16136 1
394 . 1 1 45 45 ASN HD21 H 1 6.83 0.01 . 2 . . . . . 45 ASN HD21 . 16136 1
395 . 1 1 45 45 ASN HD22 H 1 7.53 0.01 . 2 . . . . . 45 ASN HD22 . 16136 1
396 . 1 1 45 45 ASN CA C 13 53.1 0.1 . 1 . . . . . 45 ASN CA . 16136 1
397 . 1 1 45 45 ASN CB C 13 39.4 0.1 . 1 . . . . . 45 ASN CB . 16136 1
398 . 1 1 45 45 ASN N N 15 118.9 0.1 . 1 . . . . . 45 ASN N . 16136 1
399 . 1 1 45 45 ASN ND2 N 15 112.7 0.1 . 1 . . . . . 45 ASN ND2 . 16136 1
400 . 1 1 46 46 GLY H H 1 8.03 0.01 . 1 . . . . . 46 GLY H . 16136 1
401 . 1 1 46 46 GLY HA2 H 1 3.66 0.01 . 2 . . . . . 46 GLY HA2 . 16136 1
402 . 1 1 46 46 GLY HA3 H 1 3.71 0.01 . 2 . . . . . 46 GLY HA3 . 16136 1
403 . 1 1 46 46 GLY CA C 13 46.1 0.1 . 1 . . . . . 46 GLY CA . 16136 1
404 . 1 1 46 46 GLY N N 15 115.4 0.1 . 1 . . . . . 46 GLY N . 16136 1
stop_
save_