data_11252 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11252 _Entry.Title ; Resonance assignments of HRDC domain from Bloom syndrome protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-05 _Entry.Accession_date 2010-08-08 _Entry.Last_release_date 2010-09-28 _Entry.Original_release_date 2010-09-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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.Entry_ID 1 Akiko Sato . . . 11252 2 Masaki Mishima . . . 11252 3 Aki Nagai . . . 11252 4 Sun-Yong Kim . . . 11252 5 Yutaka Ito . . . 11252 6 Toshio Hakoshima . . . 11252 7 Jun-Goo Jee . . . 11252 8 Ken Kitano . . . 11252 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Bloom Syndrome Protein' . 11252 'DNA Helicase' . 11252 'HRDC Domain' . 11252 'RecQ Family' . 11252 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11252 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 295 11252 '15N chemical shifts' 88 11252 '1H chemical shifts' 590 11252 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 1 . . 2010-09-28 2010-08-05 original author . 11252 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RRD 'BMRB Entry Tracking System' 11252 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11252 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Resonance assignments of HRDC domain from Bloom syndrome protein' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'J. Biochem.' _Citation.Journal_name_full 'The Journal of Biochemistry' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Akiko Sato . . . 11252 1 2 Masaki Mishima . . . 11252 1 3 Aki Nagai . . . 11252 1 4 Sun-Yong Kim . . . 11252 1 5 Yutaka Ito . . . 11252 1 6 Toshio Hakoshima . . . 11252 1 7 Jun-Goo Jee . . . 11252 1 8 Ken Kitano . . . 11252 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11252 _Assembly.ID 1 _Assembly.Name 'HRDC domain from Bloom syndrome protein' _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 'BLM HRDC domain' 1 $entity A . yes native no no . . . 11252 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11252 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'BLM HRDC domain' _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 ; GIPEFKQKALVAKVSQREEM VKKCLGELTEVCKSLGKVFG VHYFNIFNTVTLKKLAESLS SDPEVLLQIDGVTEDKLEKY GAEVISVLQKYSEWTSPAED S ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-5 represent a non-native expression 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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'BLM HRDC domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11282.033 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 no BMRB 16766 . "BLM HRDC domain" . . . . . 84.16 85 100.00 100.00 2.67e-53 . . . . 11252 1 2 no PDB 2KV2 . "Solution Structure Of The Human Blm Hrdc Domain" . . . . . 84.16 85 100.00 100.00 2.67e-53 . . . . 11252 1 3 no PDB 2RRD . "Structure Of Hrdc Domain From Human Bloom Syndrome Protein, Blm" . . . . . 100.00 101 100.00 100.00 5.08e-65 . . . . 11252 1 4 no PDB 4CDG . "Crystal Structure Of The Bloom's Syndrome Helicase Blm In Complex With Nanobody" . . . . . 95.05 673 100.00 100.00 2.12e-55 . . . . 11252 1 5 no PDB 4CGZ . "Crystal Structure Of The Bloom's Syndrome Helicase Blm In Complex With Dna" . . . . . 95.05 665 100.00 100.00 1.94e-55 . . . . 11252 1 6 no PDB 4O3M . "Ternary Complex Of Bloom's Syndrome Helicase" . . . . . 95.05 659 100.00 100.00 2.32e-55 . . . . 11252 1 7 no DBJ BAG36927 . "unnamed protein product [Homo sapiens]" . . . . . 95.05 1417 100.00 100.00 1.36e-54 . . . . 11252 1 8 no DBJ BAH12008 . "unnamed protein product [Homo sapiens]" . . . . . 95.05 1047 100.00 100.00 5.23e-54 . . . . 11252 1 9 no DBJ BAH13907 . "unnamed protein product [Homo sapiens]" . . . . . 95.05 519 100.00 100.00 2.59e-56 . . . . 11252 1 10 no GB AAA87850 . "Bloom's syndrome protein [Homo sapiens]" . . . . . 95.05 1417 100.00 100.00 1.33e-54 . . . . 11252 1 11 no GB AAH93622 . "Bloom syndrome [Homo sapiens]" . . . . . 95.05 1417 100.00 100.00 1.33e-54 . . . . 11252 1 12 no GB AAI01568 . "Bloom syndrome [Homo sapiens]" . . . . . 95.05 1417 100.00 100.00 1.33e-54 . . . . 11252 1 13 no GB AAI15031 . "Bloom syndrome [Homo sapiens]" . . . . . 95.05 1417 100.00 100.00 1.33e-54 . . . . 11252 1 14 no GB AAI15033 . "Bloom syndrome [Homo sapiens]" . . . . . 95.05 1417 100.00 100.00 1.33e-54 . . . . 11252 1 15 no REF NP_000048 . "Bloom syndrome protein isoform 1 [Homo sapiens]" . . . . . 95.05 1417 100.00 100.00 1.33e-54 . . . . 11252 1 16 no REF NP_001274175 . "Bloom syndrome protein isoform 1 [Homo sapiens]" . . . . . 95.05 1417 100.00 100.00 1.33e-54 . . . . 11252 1 17 no REF NP_001274177 . "Bloom syndrome protein isoform 3 [Homo sapiens]" . . . . . 95.05 1042 100.00 100.00 3.11e-54 . . . . 11252 1 18 no REF XP_001097543 . "PREDICTED: Bloom syndrome protein [Macaca mulatta]" . . . . . 95.05 1416 98.96 100.00 3.13e-54 . . . . 11252 1 19 no REF XP_002749167 . "PREDICTED: Bloom syndrome protein isoform X1 [Callithrix jacchus]" . . . . . 95.05 1415 97.92 98.96 3.79e-53 . . . . 11252 1 20 no SP P54132 . "RecName: Full=Bloom syndrome protein; AltName: Full=DNA helicase, RecQ-like type 2; Short=RecQ2; AltName: Full=RecQ protein-lik" . . . . . 95.05 1417 100.00 100.00 1.33e-54 . . . . 11252 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 . GLY . 11252 1 2 . ILE . 11252 1 3 . PRO . 11252 1 4 . GLU . 11252 1 5 . PHE . 11252 1 6 . LYS . 11252 1 7 . GLN . 11252 1 8 . LYS . 11252 1 9 . ALA . 11252 1 10 . LEU . 11252 1 11 . VAL . 11252 1 12 . ALA . 11252 1 13 . LYS . 11252 1 14 . VAL . 11252 1 15 . SER . 11252 1 16 . GLN . 11252 1 17 . ARG . 11252 1 18 . GLU . 11252 1 19 . GLU . 11252 1 20 . MET . 11252 1 21 . VAL . 11252 1 22 . LYS . 11252 1 23 . LYS . 11252 1 24 . CYS . 11252 1 25 . LEU . 11252 1 26 . GLY . 11252 1 27 . GLU . 11252 1 28 . LEU . 11252 1 29 . THR . 11252 1 30 . GLU . 11252 1 31 . VAL . 11252 1 32 . CYS . 11252 1 33 . LYS . 11252 1 34 . SER . 11252 1 35 . LEU . 11252 1 36 . GLY . 11252 1 37 . LYS . 11252 1 38 . VAL . 11252 1 39 . PHE . 11252 1 40 . GLY . 11252 1 41 . VAL . 11252 1 42 . HIS . 11252 1 43 . TYR . 11252 1 44 . PHE . 11252 1 45 . ASN . 11252 1 46 . ILE . 11252 1 47 . PHE . 11252 1 48 . ASN . 11252 1 49 . THR . 11252 1 50 . VAL . 11252 1 51 . THR . 11252 1 52 . LEU . 11252 1 53 . LYS . 11252 1 54 . LYS . 11252 1 55 . LEU . 11252 1 56 . ALA . 11252 1 57 . GLU . 11252 1 58 . SER . 11252 1 59 . LEU . 11252 1 60 . SER . 11252 1 61 . SER . 11252 1 62 . ASP . 11252 1 63 . PRO . 11252 1 64 . GLU . 11252 1 65 . VAL . 11252 1 66 . LEU . 11252 1 67 . LEU . 11252 1 68 . GLN . 11252 1 69 . ILE . 11252 1 70 . ASP . 11252 1 71 . GLY . 11252 1 72 . VAL . 11252 1 73 . THR . 11252 1 74 . GLU . 11252 1 75 . ASP . 11252 1 76 . LYS . 11252 1 77 . LEU . 11252 1 78 . GLU . 11252 1 79 . LYS . 11252 1 80 . TYR . 11252 1 81 . GLY . 11252 1 82 . ALA . 11252 1 83 . GLU . 11252 1 84 . VAL . 11252 1 85 . ILE . 11252 1 86 . SER . 11252 1 87 . VAL . 11252 1 88 . LEU . 11252 1 89 . GLN . 11252 1 90 . LYS . 11252 1 91 . TYR . 11252 1 92 . SER . 11252 1 93 . GLU . 11252 1 94 . TRP . 11252 1 95 . THR . 11252 1 96 . SER . 11252 1 97 . PRO . 11252 1 98 . ALA . 11252 1 99 . GLU . 11252 1 100 . ASP . 11252 1 101 . SER . 11252 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 11252 1 . ILE 2 2 11252 1 . PRO 3 3 11252 1 . GLU 4 4 11252 1 . PHE 5 5 11252 1 . LYS 6 6 11252 1 . GLN 7 7 11252 1 . LYS 8 8 11252 1 . ALA 9 9 11252 1 . LEU 10 10 11252 1 . VAL 11 11 11252 1 . ALA 12 12 11252 1 . LYS 13 13 11252 1 . VAL 14 14 11252 1 . SER 15 15 11252 1 . GLN 16 16 11252 1 . ARG 17 17 11252 1 . GLU 18 18 11252 1 . GLU 19 19 11252 1 . MET 20 20 11252 1 . VAL 21 21 11252 1 . LYS 22 22 11252 1 . LYS 23 23 11252 1 . CYS 24 24 11252 1 . LEU 25 25 11252 1 . GLY 26 26 11252 1 . GLU 27 27 11252 1 . LEU 28 28 11252 1 . THR 29 29 11252 1 . GLU 30 30 11252 1 . VAL 31 31 11252 1 . CYS 32 32 11252 1 . LYS 33 33 11252 1 . SER 34 34 11252 1 . LEU 35 35 11252 1 . GLY 36 36 11252 1 . LYS 37 37 11252 1 . VAL 38 38 11252 1 . PHE 39 39 11252 1 . GLY 40 40 11252 1 . VAL 41 41 11252 1 . HIS 42 42 11252 1 . TYR 43 43 11252 1 . PHE 44 44 11252 1 . ASN 45 45 11252 1 . ILE 46 46 11252 1 . PHE 47 47 11252 1 . ASN 48 48 11252 1 . THR 49 49 11252 1 . VAL 50 50 11252 1 . THR 51 51 11252 1 . LEU 52 52 11252 1 . LYS 53 53 11252 1 . LYS 54 54 11252 1 . LEU 55 55 11252 1 . ALA 56 56 11252 1 . GLU 57 57 11252 1 . SER 58 58 11252 1 . LEU 59 59 11252 1 . SER 60 60 11252 1 . SER 61 61 11252 1 . ASP 62 62 11252 1 . PRO 63 63 11252 1 . GLU 64 64 11252 1 . VAL 65 65 11252 1 . LEU 66 66 11252 1 . LEU 67 67 11252 1 . GLN 68 68 11252 1 . ILE 69 69 11252 1 . ASP 70 70 11252 1 . GLY 71 71 11252 1 . VAL 72 72 11252 1 . THR 73 73 11252 1 . GLU 74 74 11252 1 . ASP 75 75 11252 1 . LYS 76 76 11252 1 . LEU 77 77 11252 1 . GLU 78 78 11252 1 . LYS 79 79 11252 1 . TYR 80 80 11252 1 . GLY 81 81 11252 1 . ALA 82 82 11252 1 . GLU 83 83 11252 1 . VAL 84 84 11252 1 . ILE 85 85 11252 1 . SER 86 86 11252 1 . VAL 87 87 11252 1 . LEU 88 88 11252 1 . GLN 89 89 11252 1 . LYS 90 90 11252 1 . TYR 91 91 11252 1 . SER 92 92 11252 1 . GLU 93 93 11252 1 . TRP 94 94 11252 1 . THR 95 95 11252 1 . SER 96 96 11252 1 . PRO 97 97 11252 1 . ALA 98 98 11252 1 . GLU 99 99 11252 1 . ASP 100 100 11252 1 . SER 101 101 11252 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 11252 _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 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11252 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 11252 _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 $entity . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pGEX-5X-1 . . . . . . 11252 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11252 _Sample.ID 1 _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 'BLM HRDC domain' '[U-98% 13C; U-98% 15N]' . . 1 $entity . protein 0.5 . . mM . . . . 11252 1 2 TRIS 'natural abundance' . . . . . buffer 50 . . mM . . . . 11252 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11252 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11252 1 5 D2O 'natural abundance' . . . . . solvent 10 . . % . . . . 11252 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11252 _Sample.ID 2 _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 'BLM HRDC domain' '[U-100% 15N]' . . 1 $entity . protein 1 . . mM . . . . 11252 2 2 d11-TRIS 'natural abundance' . . . . . buffer 50 . . mM . . . . 11252 2 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11252 2 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11252 2 5 D2O 'natural abundance' . . . . . solvent 10 . . % . . . . 11252 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 11252 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'BLM HRDC domain' '[U-98% 13C; U-98% 15N]' . . 1 $entity . protein 1 . . mM . . . . 11252 3 2 d11-TRIS 'natural abundance' . . . . . buffer 50 . . mM . . . . 11252 3 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11252 3 4 D2O 'natural abundance' . . . . . solvent 100 . . % . . . . 11252 3 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 11252 _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' 100 . mM 11252 1 pH 7.5 . pH 11252 1 pressure 1 . atm 11252 1 temperature 303 . K 11252 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11252 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11252 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11252 1 'peak picking' 11252 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11252 _Software.ID 2 _Software.Name NMRPipe _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11252 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11252 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11252 _Software.ID 3 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11252 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11252 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11252 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11252 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11252 4 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 11252 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 11252 _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 Bruker Avance . 600 . . . 11252 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 11252 _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 . . . . . . . . . . . . . . . . 11252 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11252 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11252 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11252 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11252 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11252 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11252 1 8 '4D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11252 1 9 '3D HNHB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11252 1 10 '3D HN(CO)HB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11252 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11252 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11252 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 11252 _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 . . . . . . . . . 11252 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11252 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11252 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 11252 _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' 1 $sample_1 isotropic 11252 1 2 '3D HNCACB' 1 $sample_1 isotropic 11252 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11252 1 4 '3D HNCA' 1 $sample_1 isotropic 11252 1 5 '3D HN(CO)CA' 1 $sample_1 isotropic 11252 1 6 '3D C(CO)NH' 1 $sample_1 isotropic 11252 1 7 '3D H(CCO)NH' 1 $sample_1 isotropic 11252 1 8 '4D H(CCO)NH' 1 $sample_1 isotropic 11252 1 11 '3D 1H-15N NOESY' 2 $sample_2 isotropic 11252 1 12 '3D 1H-13C NOESY' 3 $sample_3 isotropic 11252 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 9 9 ALA H H 1 8.120 0.000 . 1 . . . . 9 A H . 11252 1 2 . 1 1 9 9 ALA CA C 13 52.713 0.000 . 1 . . . . 9 A CA . 11252 1 3 . 1 1 9 9 ALA CB C 13 19.015 0.000 . 1 . . . . 9 A CB . 11252 1 4 . 1 1 9 9 ALA N N 15 124.615 0.000 . 1 . . . . 9 A N . 11252 1 5 . 1 1 10 10 LEU H H 1 8.067 0.000 . 1 . . . . 10 L H . 11252 1 6 . 1 1 10 10 LEU CA C 13 55.636 0.000 . 1 . . . . 10 L CA . 11252 1 7 . 1 1 10 10 LEU CB C 13 42.034 0.000 . 1 . . . . 10 L CB . 11252 1 8 . 1 1 10 10 LEU N N 15 121.398 0.000 . 1 . . . . 10 L N . 11252 1 9 . 1 1 11 11 VAL H H 1 7.910 0.000 . 1 . . . . 11 V H . 11252 1 10 . 1 1 11 11 VAL CA C 13 62.538 0.000 . 1 . . . . 11 V CA . 11252 1 11 . 1 1 11 11 VAL CB C 13 32.543 0.000 . 1 . . . . 11 V CB . 11252 1 12 . 1 1 11 11 VAL N N 15 120.687 0.000 . 1 . . . . 11 V N . 11252 1 13 . 1 1 12 12 ALA H H 1 8.229 0.000 . 1 . . . . 12 A H . 11252 1 14 . 1 1 12 12 ALA CA C 13 52.943 0.000 . 1 . . . . 12 A CA . 11252 1 15 . 1 1 12 12 ALA CB C 13 18.864 0.000 . 1 . . . . 12 A CB . 11252 1 16 . 1 1 12 12 ALA N N 15 127.521 0.000 . 1 . . . . 12 A N . 11252 1 17 . 1 1 16 16 GLN H H 1 8.678 0.000 . 1 . . . . 16 Q H . 11252 1 18 . 1 1 16 16 GLN HA H 1 4.167 0.000 . 1 . . . . 16 Q HA . 11252 1 19 . 1 1 16 16 GLN HB2 H 1 2.074 0.000 . 2 . . . . 16 Q HB2 . 11252 1 20 . 1 1 16 16 GLN HB3 H 1 2.074 0.000 . 2 . . . . 16 Q HB3 . 11252 1 21 . 1 1 16 16 GLN HG2 H 1 2.325 0.000 . 2 . . . . 16 Q HG2 . 11252 1 22 . 1 1 16 16 GLN HG3 H 1 2.325 0.000 . 2 . . . . 16 Q HG3 . 11252 1 23 . 1 1 16 16 GLN CA C 13 57.793 0.000 . 1 . . . . 16 Q CA . 11252 1 24 . 1 1 16 16 GLN CB C 13 28.650 0.000 . 1 . . . . 16 Q CB . 11252 1 25 . 1 1 16 16 GLN CG C 13 34.236 0.000 . 1 . . . . 16 Q CG . 11252 1 26 . 1 1 16 16 GLN N N 15 113.249 0.000 . 1 . . . . 16 Q N . 11252 1 27 . 1 1 17 17 ARG H H 1 8.481 0.000 . 1 . . . . 17 R H . 11252 1 28 . 1 1 17 17 ARG CA C 13 60.692 0.000 . 1 . . . . 17 R CA . 11252 1 29 . 1 1 17 17 ARG CB C 13 29.737 0.000 . 1 . . . . 17 R CB . 11252 1 30 . 1 1 17 17 ARG N N 15 120.950 0.000 . 1 . . . . 17 R N . 11252 1 31 . 1 1 18 18 GLU H H 1 8.012 0.000 . 1 . . . . 18 E H . 11252 1 32 . 1 1 18 18 GLU HA H 1 3.833 0.000 . 1 . . . . 18 E HA . 11252 1 33 . 1 1 18 18 GLU HB2 H 1 1.925 0.000 . 2 . . . . 18 E HB2 . 11252 1 34 . 1 1 18 18 GLU HB3 H 1 2.164 0.000 . 2 . . . . 18 E HB3 . 11252 1 35 . 1 1 18 18 GLU HG2 H 1 2.232 0.000 . 2 . . . . 18 E HG2 . 11252 1 36 . 1 1 18 18 GLU HG3 H 1 2.302 0.000 . 2 . . . . 18 E HG3 . 11252 1 37 . 1 1 18 18 GLU CA C 13 59.660 0.000 . 1 . . . . 18 E CA . 11252 1 38 . 1 1 18 18 GLU CB C 13 29.274 0.000 . 1 . . . . 18 E CB . 11252 1 39 . 1 1 18 18 GLU CG C 13 36.818 0.000 . 1 . . . . 18 E CG . 11252 1 40 . 1 1 18 18 GLU N N 15 117.102 0.000 . 1 . . . . 18 E N . 11252 1 41 . 1 1 19 19 GLU H H 1 7.615 0.000 . 1 . . . . 19 E H . 11252 1 42 . 1 1 19 19 GLU HA H 1 3.964 0.000 . 1 . . . . 19 E HA . 11252 1 43 . 1 1 19 19 GLU HB2 H 1 1.667 0.000 . 2 . . . . 19 E HB2 . 11252 1 44 . 1 1 19 19 GLU HB3 H 1 1.950 0.000 . 2 . . . . 19 E HB3 . 11252 1 45 . 1 1 19 19 GLU HG2 H 1 2.245 0.000 . 2 . . . . 19 E HG2 . 11252 1 46 . 1 1 19 19 GLU HG3 H 1 2.168 0.000 . 2 . . . . 19 E HG3 . 11252 1 47 . 1 1 19 19 GLU CA C 13 58.997 0.000 . 1 . . . . 19 E CA . 11252 1 48 . 1 1 19 19 GLU CB C 13 29.162 0.000 . 1 . . . . 19 E CB . 11252 1 49 . 1 1 19 19 GLU CG C 13 35.980 0.000 . 1 . . . . 19 E CG . 11252 1 50 . 1 1 19 19 GLU N N 15 119.013 0.000 . 1 . . . . 19 E N . 11252 1 51 . 1 1 20 20 MET H H 1 7.641 0.000 . 1 . . . . 20 M H . 11252 1 52 . 1 1 20 20 MET HA H 1 4.209 0.000 . 1 . . . . 20 M HA . 11252 1 53 . 1 1 20 20 MET HB2 H 1 2.037 0.000 . 2 . . . . 20 M HB2 . 11252 1 54 . 1 1 20 20 MET HB3 H 1 1.330 0.000 . 2 . . . . 20 M HB3 . 11252 1 55 . 1 1 20 20 MET HE1 H 1 1.761 0.000 . 1 . . . . 20 M QE . 11252 1 56 . 1 1 20 20 MET HE2 H 1 1.761 0.000 . 1 . . . . 20 M QE . 11252 1 57 . 1 1 20 20 MET HE3 H 1 1.761 0.000 . 1 . . . . 20 M QE . 11252 1 58 . 1 1 20 20 MET HG2 H 1 2.223 0.000 . 2 . . . . 20 M HG2 . 11252 1 59 . 1 1 20 20 MET HG3 H 1 2.228 0.000 . 2 . . . . 20 M HG3 . 11252 1 60 . 1 1 20 20 MET CA C 13 57.154 0.000 . 1 . . . . 20 M CA . 11252 1 61 . 1 1 20 20 MET CB C 13 31.747 0.000 . 1 . . . . 20 M CB . 11252 1 62 . 1 1 20 20 MET CE C 13 18.122 0.000 . 1 . . . . 20 M CE . 11252 1 63 . 1 1 20 20 MET N N 15 119.809 0.000 . 1 . . . . 20 M N . 11252 1 64 . 1 1 21 21 VAL H H 1 8.364 0.000 . 1 . . . . 21 V H . 11252 1 65 . 1 1 21 21 VAL HA H 1 3.212 0.000 . 1 . . . . 21 V HA . 11252 1 66 . 1 1 21 21 VAL HB H 1 2.024 0.000 . 1 . . . . 21 V HB . 11252 1 67 . 1 1 21 21 VAL HG11 H 1 0.666 0.000 . 2 . . . . 21 V QG1 . 11252 1 68 . 1 1 21 21 VAL HG12 H 1 0.666 0.000 . 2 . . . . 21 V QG1 . 11252 1 69 . 1 1 21 21 VAL HG13 H 1 0.666 0.000 . 2 . . . . 21 V QG1 . 11252 1 70 . 1 1 21 21 VAL HG21 H 1 1.040 0.000 . 2 . . . . 21 V QG2 . 11252 1 71 . 1 1 21 21 VAL HG22 H 1 1.040 0.000 . 2 . . . . 21 V QG2 . 11252 1 72 . 1 1 21 21 VAL HG23 H 1 1.040 0.000 . 2 . . . . 21 V QG2 . 11252 1 73 . 1 1 21 21 VAL CA C 13 66.946 0.000 . 1 . . . . 21 V CA . 11252 1 74 . 1 1 21 21 VAL CB C 13 31.838 0.000 . 1 . . . . 21 V CB . 11252 1 75 . 1 1 21 21 VAL CG1 C 13 20.609 0.000 . 2 . . . . 21 V CG1 . 11252 1 76 . 1 1 21 21 VAL CG2 C 13 22.719 0.000 . 2 . . . . 21 V CG2 . 11252 1 77 . 1 1 21 21 VAL N N 15 121.412 0.000 . 1 . . . . 21 V N . 11252 1 78 . 1 1 22 22 LYS H H 1 7.350 0.000 . 1 . . . . 22 K H . 11252 1 79 . 1 1 22 22 LYS HA H 1 3.775 0.000 . 1 . . . . 22 K HA . 11252 1 80 . 1 1 22 22 LYS HB2 H 1 1.789 0.000 . 2 . . . . 22 K HB2 . 11252 1 81 . 1 1 22 22 LYS HB3 H 1 1.790 0.000 . 2 . . . . 22 K HB3 . 11252 1 82 . 1 1 22 22 LYS HD2 H 1 1.600 0.000 . 2 . . . . 22 K HD2 . 11252 1 83 . 1 1 22 22 LYS HD3 H 1 1.601 0.000 . 2 . . . . 22 K HD3 . 11252 1 84 . 1 1 22 22 LYS HE2 H 1 2.851 0.000 . 2 . . . . 22 K HE2 . 11252 1 85 . 1 1 22 22 LYS HE3 H 1 2.850 0.000 . 2 . . . . 22 K HE3 . 11252 1 86 . 1 1 22 22 LYS HG2 H 1 1.307 0.000 . 2 . . . . 22 K HG2 . 11252 1 87 . 1 1 22 22 LYS HG3 H 1 1.500 0.000 . 2 . . . . 22 K HG3 . 11252 1 88 . 1 1 22 22 LYS CA C 13 59.770 0.000 . 1 . . . . 22 K CA . 11252 1 89 . 1 1 22 22 LYS CB C 13 32.244 0.000 . 1 . . . . 22 K CB . 11252 1 90 . 1 1 22 22 LYS CD C 13 29.334 0.000 . 1 . . . . 22 K CD . 11252 1 91 . 1 1 22 22 LYS CE C 13 41.900 0.000 . 1 . . . . 22 K CE . 11252 1 92 . 1 1 22 22 LYS CG C 13 25.169 0.000 . 1 . . . . 22 K CG . 11252 1 93 . 1 1 22 22 LYS N N 15 117.785 0.000 . 1 . . . . 22 K N . 11252 1 94 . 1 1 23 23 LYS H H 1 7.825 0.000 . 1 . . . . 23 K H . 11252 1 95 . 1 1 23 23 LYS HA H 1 3.919 0.000 . 1 . . . . 23 K HA . 11252 1 96 . 1 1 23 23 LYS HB2 H 1 1.985 0.000 . 2 . . . . 23 K HB2 . 11252 1 97 . 1 1 23 23 LYS HB3 H 1 1.842 0.000 . 2 . . . . 23 K HB3 . 11252 1 98 . 1 1 23 23 LYS HD2 H 1 1.712 0.000 . 2 . . . . 23 K HD2 . 11252 1 99 . 1 1 23 23 LYS HD3 H 1 1.705 0.000 . 2 . . . . 23 K HD3 . 11252 1 100 . 1 1 23 23 LYS HE2 H 1 2.978 0.000 . 2 . . . . 23 K HE2 . 11252 1 101 . 1 1 23 23 LYS HE3 H 1 2.982 0.000 . 2 . . . . 23 K HE3 . 11252 1 102 . 1 1 23 23 LYS HG2 H 1 1.499 0.000 . 2 . . . . 23 K HG2 . 11252 1 103 . 1 1 23 23 LYS HG3 H 1 1.499 0.000 . 2 . . . . 23 K HG3 . 11252 1 104 . 1 1 23 23 LYS CA C 13 59.630 0.000 . 1 . . . . 23 K CA . 11252 1 105 . 1 1 23 23 LYS CB C 13 32.777 0.000 . 1 . . . . 23 K CB . 11252 1 106 . 1 1 23 23 LYS CD C 13 29.703 0.000 . 1 . . . . 23 K CD . 11252 1 107 . 1 1 23 23 LYS CE C 13 42.187 0.000 . 1 . . . . 23 K CE . 11252 1 108 . 1 1 23 23 LYS CG C 13 25.138 0.000 . 1 . . . . 23 K CG . 11252 1 109 . 1 1 23 23 LYS N N 15 122.212 0.000 . 1 . . . . 23 K N . 11252 1 110 . 1 1 24 24 CYS H H 1 8.608 0.000 . 1 . . . . 24 C H . 11252 1 111 . 1 1 24 24 CYS HA H 1 3.548 0.000 . 1 . . . . 24 C HA . 11252 1 112 . 1 1 24 24 CYS HB2 H 1 2.534 0.000 . 2 . . . . 24 C HB2 . 11252 1 113 . 1 1 24 24 CYS HB3 H 1 1.516 0.000 . 2 . . . . 24 C HB3 . 11252 1 114 . 1 1 24 24 CYS CA C 13 61.875 0.000 . 1 . . . . 24 C CA . 11252 1 115 . 1 1 24 24 CYS CB C 13 26.032 0.000 . 1 . . . . 24 C CB . 11252 1 116 . 1 1 24 24 CYS N N 15 121.893 0.000 . 1 . . . . 24 C N . 11252 1 117 . 1 1 25 25 LEU H H 1 8.725 0.000 . 1 . . . . 25 L H . 11252 1 118 . 1 1 25 25 LEU HA H 1 3.855 0.000 . 1 . . . . 25 L HA . 11252 1 119 . 1 1 25 25 LEU HB2 H 1 1.929 0.000 . 2 . . . . 25 L HB2 . 11252 1 120 . 1 1 25 25 LEU HB3 H 1 1.244 0.000 . 2 . . . . 25 L HB3 . 11252 1 121 . 1 1 25 25 LEU HD11 H 1 0.803 0.000 . 2 . . . . 25 L QD1 . 11252 1 122 . 1 1 25 25 LEU HD12 H 1 0.803 0.000 . 2 . . . . 25 L QD1 . 11252 1 123 . 1 1 25 25 LEU HD13 H 1 0.803 0.000 . 2 . . . . 25 L QD1 . 11252 1 124 . 1 1 25 25 LEU HD21 H 1 0.791 0.000 . 2 . . . . 25 L QD2 . 11252 1 125 . 1 1 25 25 LEU HD22 H 1 0.791 0.000 . 2 . . . . 25 L QD2 . 11252 1 126 . 1 1 25 25 LEU HD23 H 1 0.791 0.000 . 2 . . . . 25 L QD2 . 11252 1 127 . 1 1 25 25 LEU HG H 1 1.440 0.000 . 1 . . . . 25 L HG . 11252 1 128 . 1 1 25 25 LEU CA C 13 58.357 0.000 . 1 . . . . 25 L CA . 11252 1 129 . 1 1 25 25 LEU CB C 13 41.230 0.000 . 1 . . . . 25 L CB . 11252 1 130 . 1 1 25 25 LEU CD1 C 13 23.628 0.000 . 2 . . . . 25 L CD1 . 11252 1 131 . 1 1 25 25 LEU CD2 C 13 22.702 0.000 . 2 . . . . 25 L CD2 . 11252 1 132 . 1 1 25 25 LEU CG C 13 26.048 0.000 . 1 . . . . 25 L CG . 11252 1 133 . 1 1 25 25 LEU N N 15 119.750 0.000 . 1 . . . . 25 L N . 11252 1 134 . 1 1 26 26 GLY H H 1 7.897 0.000 . 1 . . . . 26 G H . 11252 1 135 . 1 1 26 26 GLY HA2 H 1 3.966 0.000 . 2 . . . . 26 G HA2 . 11252 1 136 . 1 1 26 26 GLY HA3 H 1 3.807 0.000 . 2 . . . . 26 G HA3 . 11252 1 137 . 1 1 26 26 GLY CA C 13 47.499 0.000 . 1 . . . . 26 G CA . 11252 1 138 . 1 1 26 26 GLY N N 15 108.420 0.000 . 1 . . . . 26 G N . 11252 1 139 . 1 1 27 27 GLU H H 1 7.816 0.000 . 1 . . . . 27 E H . 11252 1 140 . 1 1 27 27 GLU HA H 1 4.095 0.000 . 1 . . . . 27 E HA . 11252 1 141 . 1 1 27 27 GLU HB2 H 1 2.311 0.000 . 2 . . . . 27 E HB2 . 11252 1 142 . 1 1 27 27 GLU HB3 H 1 2.075 0.000 . 2 . . . . 27 E HB3 . 11252 1 143 . 1 1 27 27 GLU HG2 H 1 2.486 0.000 . 2 . . . . 27 E HG2 . 11252 1 144 . 1 1 27 27 GLU HG3 H 1 2.205 0.000 . 2 . . . . 27 E HG3 . 11252 1 145 . 1 1 27 27 GLU CA C 13 59.953 0.000 . 1 . . . . 27 E CA . 11252 1 146 . 1 1 27 27 GLU CB C 13 30.602 0.000 . 1 . . . . 27 E CB . 11252 1 147 . 1 1 27 27 GLU CG C 13 37.355 0.000 . 1 . . . . 27 E CG . 11252 1 148 . 1 1 27 27 GLU N N 15 122.680 0.000 . 1 . . . . 27 E N . 11252 1 149 . 1 1 28 28 LEU H H 1 9.404 0.000 . 1 . . . . 28 L H . 11252 1 150 . 1 1 28 28 LEU HA H 1 4.020 0.000 . 1 . . . . 28 L HA . 11252 1 151 . 1 1 28 28 LEU HB2 H 1 2.003 0.000 . 2 . . . . 28 L HB2 . 11252 1 152 . 1 1 28 28 LEU HB3 H 1 1.316 0.000 . 2 . . . . 28 L HB3 . 11252 1 153 . 1 1 28 28 LEU HD11 H 1 0.686 0.000 . 2 . . . . 28 L QD1 . 11252 1 154 . 1 1 28 28 LEU HD12 H 1 0.686 0.000 . 2 . . . . 28 L QD1 . 11252 1 155 . 1 1 28 28 LEU HD13 H 1 0.686 0.000 . 2 . . . . 28 L QD1 . 11252 1 156 . 1 1 28 28 LEU HD21 H 1 0.793 0.000 . 2 . . . . 28 L QD2 . 11252 1 157 . 1 1 28 28 LEU HD22 H 1 0.793 0.000 . 2 . . . . 28 L QD2 . 11252 1 158 . 1 1 28 28 LEU HD23 H 1 0.793 0.000 . 2 . . . . 28 L QD2 . 11252 1 159 . 1 1 28 28 LEU HG H 1 1.593 0.000 . 1 . . . . 28 L HG . 11252 1 160 . 1 1 28 28 LEU CA C 13 57.561 0.000 . 1 . . . . 28 L CA . 11252 1 161 . 1 1 28 28 LEU CB C 13 40.088 0.000 . 1 . . . . 28 L CB . 11252 1 162 . 1 1 28 28 LEU CD1 C 13 24.350 0.000 . 2 . . . . 28 L CD1 . 11252 1 163 . 1 1 28 28 LEU CD2 C 13 24.240 0.000 . 2 . . . . 28 L CD2 . 11252 1 164 . 1 1 28 28 LEU CG C 13 26.638 0.000 . 1 . . . . 28 L CG . 11252 1 165 . 1 1 28 28 LEU N N 15 119.963 0.000 . 1 . . . . 28 L N . 11252 1 166 . 1 1 29 29 THR H H 1 8.352 0.000 . 1 . . . . 29 T H . 11252 1 167 . 1 1 29 29 THR HA H 1 4.128 0.000 . 1 . . . . 29 T HA . 11252 1 168 . 1 1 29 29 THR HB H 1 4.008 0.000 . 1 . . . . 29 T HB . 11252 1 169 . 1 1 29 29 THR HG21 H 1 1.027 0.000 . 1 . . . . 29 T QG2 . 11252 1 170 . 1 1 29 29 THR HG22 H 1 1.027 0.000 . 1 . . . . 29 T QG2 . 11252 1 171 . 1 1 29 29 THR HG23 H 1 1.027 0.000 . 1 . . . . 29 T QG2 . 11252 1 172 . 1 1 29 29 THR CA C 13 68.181 0.000 . 1 . . . . 29 T CA . 11252 1 173 . 1 1 29 29 THR CB C 13 71.564 0.000 . 1 . . . . 29 T CB . 11252 1 174 . 1 1 29 29 THR CG2 C 13 20.475 0.000 . 1 . . . . 29 T CG2 . 11252 1 175 . 1 1 29 29 THR N N 15 117.094 0.000 . 1 . . . . 29 T N . 11252 1 176 . 1 1 30 30 GLU H H 1 7.576 0.000 . 1 . . . . 30 E H . 11252 1 177 . 1 1 30 30 GLU HA H 1 3.890 0.000 . 1 . . . . 30 E HA . 11252 1 178 . 1 1 30 30 GLU HB2 H 1 2.099 0.000 . 2 . . . . 30 E HB2 . 11252 1 179 . 1 1 30 30 GLU HB3 H 1 2.099 0.000 . 2 . . . . 30 E HB3 . 11252 1 180 . 1 1 30 30 GLU HG2 H 1 2.308 0.000 . 2 . . . . 30 E HG2 . 11252 1 181 . 1 1 30 30 GLU HG3 H 1 2.308 0.000 . 2 . . . . 30 E HG3 . 11252 1 182 . 1 1 30 30 GLU CA C 13 59.427 0.000 . 1 . . . . 30 E CA . 11252 1 183 . 1 1 30 30 GLU CB C 13 29.021 0.000 . 1 . . . . 30 E CB . 11252 1 184 . 1 1 30 30 GLU CG C 13 35.716 0.000 . 1 . . . . 30 E CG . 11252 1 185 . 1 1 30 30 GLU N N 15 120.359 0.000 . 1 . . . . 30 E N . 11252 1 186 . 1 1 31 31 VAL H H 1 8.202 0.000 . 1 . . . . 31 V H . 11252 1 187 . 1 1 31 31 VAL HA H 1 3.871 0.000 . 1 . . . . 31 V HA . 11252 1 188 . 1 1 31 31 VAL HB H 1 2.293 0.000 . 1 . . . . 31 V HB . 11252 1 189 . 1 1 31 31 VAL HG11 H 1 1.130 0.000 . 2 . . . . 31 V QG1 . 11252 1 190 . 1 1 31 31 VAL HG12 H 1 1.130 0.000 . 2 . . . . 31 V QG1 . 11252 1 191 . 1 1 31 31 VAL HG13 H 1 1.130 0.000 . 2 . . . . 31 V QG1 . 11252 1 192 . 1 1 31 31 VAL HG21 H 1 0.979 0.000 . 2 . . . . 31 V QG2 . 11252 1 193 . 1 1 31 31 VAL HG22 H 1 0.979 0.000 . 2 . . . . 31 V QG2 . 11252 1 194 . 1 1 31 31 VAL HG23 H 1 0.979 0.000 . 2 . . . . 31 V QG2 . 11252 1 195 . 1 1 31 31 VAL CA C 13 66.389 0.000 . 1 . . . . 31 V CA . 11252 1 196 . 1 1 31 31 VAL CB C 13 31.591 0.000 . 1 . . . . 31 V CB . 11252 1 197 . 1 1 31 31 VAL CG1 C 13 23.920 0.000 . 2 . . . . 31 V CG1 . 11252 1 198 . 1 1 31 31 VAL CG2 C 13 21.565 0.000 . 2 . . . . 31 V CG2 . 11252 1 199 . 1 1 31 31 VAL N N 15 120.921 0.000 . 1 . . . . 31 V N . 11252 1 200 . 1 1 32 32 CYS H H 1 8.313 0.000 . 1 . . . . 32 C H . 11252 1 201 . 1 1 32 32 CYS HA H 1 4.124 0.000 . 1 . . . . 32 C HA . 11252 1 202 . 1 1 32 32 CYS HB2 H 1 3.022 0.000 . 2 . . . . 32 C HB2 . 11252 1 203 . 1 1 32 32 CYS HB3 H 1 3.196 0.000 . 2 . . . . 32 C HB3 . 11252 1 204 . 1 1 32 32 CYS CA C 13 65.170 0.000 . 1 . . . . 32 C CA . 11252 1 205 . 1 1 32 32 CYS CB C 13 26.405 0.000 . 1 . . . . 32 C CB . 11252 1 206 . 1 1 32 32 CYS N N 15 118.981 0.000 . 1 . . . . 32 C N . 11252 1 207 . 1 1 33 33 LYS H H 1 8.140 0.000 . 1 . . . . 33 K H . 11252 1 208 . 1 1 33 33 LYS HA H 1 3.833 0.000 . 1 . . . . 33 K HA . 11252 1 209 . 1 1 33 33 LYS HB2 H 1 1.718 0.000 . 2 . . . . 33 K HB2 . 11252 1 210 . 1 1 33 33 LYS HB3 H 1 1.644 0.000 . 2 . . . . 33 K HB3 . 11252 1 211 . 1 1 33 33 LYS HD2 H 1 1.308 0.000 . 2 . . . . 33 K HD2 . 11252 1 212 . 1 1 33 33 LYS HD3 H 1 1.307 0.000 . 2 . . . . 33 K HD3 . 11252 1 213 . 1 1 33 33 LYS HE2 H 1 2.458 0.000 . 2 . . . . 33 K HE2 . 11252 1 214 . 1 1 33 33 LYS HE3 H 1 2.257 0.000 . 2 . . . . 33 K HE3 . 11252 1 215 . 1 1 33 33 LYS HG2 H 1 0.964 0.000 . 2 . . . . 33 K HG2 . 11252 1 216 . 1 1 33 33 LYS HG3 H 1 0.624 0.000 . 2 . . . . 33 K HG3 . 11252 1 217 . 1 1 33 33 LYS CA C 13 60.434 0.000 . 1 . . . . 33 K CA . 11252 1 218 . 1 1 33 33 LYS CB C 13 32.076 0.000 . 1 . . . . 33 K CB . 11252 1 219 . 1 1 33 33 LYS CD C 13 29.660 0.000 . 1 . . . . 33 K CD . 11252 1 220 . 1 1 33 33 LYS CE C 13 41.780 0.000 . 1 . . . . 33 K CE . 11252 1 221 . 1 1 33 33 LYS CG C 13 26.065 0.000 . 1 . . . . 33 K CG . 11252 1 222 . 1 1 33 33 LYS N N 15 120.384 0.000 . 1 . . . . 33 K N . 11252 1 223 . 1 1 34 34 SER H H 1 8.072 0.000 . 1 . . . . 34 S H . 11252 1 224 . 1 1 34 34 SER HA H 1 4.174 0.000 . 1 . . . . 34 S HA . 11252 1 225 . 1 1 34 34 SER HB2 H 1 4.041 0.000 . 2 . . . . 34 S HB2 . 11252 1 226 . 1 1 34 34 SER HB3 H 1 4.041 0.000 . 2 . . . . 34 S HB3 . 11252 1 227 . 1 1 34 34 SER CA C 13 62.199 0.000 . 1 . . . . 34 S CA . 11252 1 228 . 1 1 34 34 SER CB C 13 62.238 0.000 . 1 . . . . 34 S CB . 11252 1 229 . 1 1 34 34 SER N N 15 117.628 0.000 . 1 . . . . 34 S N . 11252 1 230 . 1 1 35 35 LEU H H 1 8.588 0.000 . 1 . . . . 35 L H . 11252 1 231 . 1 1 35 35 LEU HA H 1 4.173 0.000 . 1 . . . . 35 L HA . 11252 1 232 . 1 1 35 35 LEU HB2 H 1 1.981 0.000 . 2 . . . . 35 L HB2 . 11252 1 233 . 1 1 35 35 LEU HB3 H 1 1.300 0.000 . 2 . . . . 35 L HB3 . 11252 1 234 . 1 1 35 35 LEU HD11 H 1 1.179 0.000 . 2 . . . . 35 L QD1 . 11252 1 235 . 1 1 35 35 LEU HD12 H 1 1.179 0.000 . 2 . . . . 35 L QD1 . 11252 1 236 . 1 1 35 35 LEU HD13 H 1 1.179 0.000 . 2 . . . . 35 L QD1 . 11252 1 237 . 1 1 35 35 LEU HD21 H 1 1.119 0.000 . 2 . . . . 35 L QD2 . 11252 1 238 . 1 1 35 35 LEU HD22 H 1 1.119 0.000 . 2 . . . . 35 L QD2 . 11252 1 239 . 1 1 35 35 LEU HD23 H 1 1.119 0.000 . 2 . . . . 35 L QD2 . 11252 1 240 . 1 1 35 35 LEU HG H 1 1.951 0.000 . 1 . . . . 35 L HG . 11252 1 241 . 1 1 35 35 LEU CA C 13 57.611 0.000 . 1 . . . . 35 L CA . 11252 1 242 . 1 1 35 35 LEU CB C 13 42.367 0.000 . 1 . . . . 35 L CB . 11252 1 243 . 1 1 35 35 LEU CD1 C 13 24.643 0.000 . 2 . . . . 35 L CD1 . 11252 1 244 . 1 1 35 35 LEU CD2 C 13 23.119 0.000 . 2 . . . . 35 L CD2 . 11252 1 245 . 1 1 35 35 LEU CG C 13 26.254 0.000 . 1 . . . . 35 L CG . 11252 1 246 . 1 1 35 35 LEU N N 15 122.901 0.000 . 1 . . . . 35 L N . 11252 1 247 . 1 1 36 36 GLY H H 1 8.569 0.000 . 1 . . . . 36 G H . 11252 1 248 . 1 1 36 36 GLY HA2 H 1 3.816 0.000 . 2 . . . . 36 G HA2 . 11252 1 249 . 1 1 36 36 GLY HA3 H 1 3.671 0.000 . 2 . . . . 36 G HA3 . 11252 1 250 . 1 1 36 36 GLY CA C 13 47.778 0.000 . 1 . . . . 36 G CA . 11252 1 251 . 1 1 36 36 GLY N N 15 107.855 0.000 . 1 . . . . 36 G N . 11252 1 252 . 1 1 37 37 LYS H H 1 7.418 0.000 . 1 . . . . 37 K H . 11252 1 253 . 1 1 37 37 LYS HA H 1 4.095 0.000 . 1 . . . . 37 K HA . 11252 1 254 . 1 1 37 37 LYS HB2 H 1 1.945 0.000 . 2 . . . . 37 K HB2 . 11252 1 255 . 1 1 37 37 LYS HB3 H 1 1.975 0.000 . 2 . . . . 37 K HB3 . 11252 1 256 . 1 1 37 37 LYS HD2 H 1 1.658 0.000 . 2 . . . . 37 K HD2 . 11252 1 257 . 1 1 37 37 LYS HD3 H 1 1.632 0.000 . 2 . . . . 37 K HD3 . 11252 1 258 . 1 1 37 37 LYS HE2 H 1 2.912 0.000 . 2 . . . . 37 K HE2 . 11252 1 259 . 1 1 37 37 LYS HE3 H 1 2.913 0.000 . 2 . . . . 37 K HE3 . 11252 1 260 . 1 1 37 37 LYS HG2 H 1 1.410 0.000 . 2 . . . . 37 K HG2 . 11252 1 261 . 1 1 37 37 LYS HG3 H 1 1.535 0.000 . 2 . . . . 37 K HG3 . 11252 1 262 . 1 1 37 37 LYS CA C 13 59.084 0.000 . 1 . . . . 37 K CA . 11252 1 263 . 1 1 37 37 LYS CB C 13 32.092 0.000 . 1 . . . . 37 K CB . 11252 1 264 . 1 1 37 37 LYS CD C 13 29.117 0.000 . 1 . . . . 37 K CD . 11252 1 265 . 1 1 37 37 LYS CE C 13 41.997 0.000 . 1 . . . . 37 K CE . 11252 1 266 . 1 1 37 37 LYS CG C 13 25.037 0.000 . 1 . . . . 37 K CG . 11252 1 267 . 1 1 37 37 LYS N N 15 120.436 0.000 . 1 . . . . 37 K N . 11252 1 268 . 1 1 38 38 VAL H H 1 7.656 0.000 . 1 . . . . 38 V H . 11252 1 269 . 1 1 38 38 VAL HA H 1 3.555 0.000 . 1 . . . . 38 V HA . 11252 1 270 . 1 1 38 38 VAL HB H 1 2.016 0.000 . 1 . . . . 38 V HB . 11252 1 271 . 1 1 38 38 VAL HG11 H 1 0.966 0.000 . 2 . . . . 38 V QG1 . 11252 1 272 . 1 1 38 38 VAL HG12 H 1 0.966 0.000 . 2 . . . . 38 V QG1 . 11252 1 273 . 1 1 38 38 VAL HG13 H 1 0.966 0.000 . 2 . . . . 38 V QG1 . 11252 1 274 . 1 1 38 38 VAL HG21 H 1 0.356 0.000 . 2 . . . . 38 V QG2 . 11252 1 275 . 1 1 38 38 VAL HG22 H 1 0.356 0.000 . 2 . . . . 38 V QG2 . 11252 1 276 . 1 1 38 38 VAL HG23 H 1 0.356 0.000 . 2 . . . . 38 V QG2 . 11252 1 277 . 1 1 38 38 VAL CA C 13 66.134 0.000 . 1 . . . . 38 V CA . 11252 1 278 . 1 1 38 38 VAL CB C 13 31.879 0.000 . 1 . . . . 38 V CB . 11252 1 279 . 1 1 38 38 VAL CG1 C 13 22.144 0.000 . 2 . . . . 38 V CG1 . 11252 1 280 . 1 1 38 38 VAL CG2 C 13 20.487 0.000 . 2 . . . . 38 V CG2 . 11252 1 281 . 1 1 38 38 VAL N N 15 119.915 0.000 . 1 . . . . 38 V N . 11252 1 282 . 1 1 39 39 PHE H H 1 8.257 0.000 . 1 . . . . 39 F H . 11252 1 283 . 1 1 39 39 PHE HA H 1 4.447 0.000 . 1 . . . . 39 F HA . 11252 1 284 . 1 1 39 39 PHE HB2 H 1 2.746 0.000 . 2 . . . . 39 F HB2 . 11252 1 285 . 1 1 39 39 PHE HB3 H 1 3.368 0.000 . 2 . . . . 39 F HB3 . 11252 1 286 . 1 1 39 39 PHE HD1 H 1 7.497 0.000 . 3 . . . . 39 F HD1 . 11252 1 287 . 1 1 39 39 PHE CA C 13 59.560 0.000 . 1 . . . . 39 F CA . 11252 1 288 . 1 1 39 39 PHE CB C 13 39.375 0.000 . 1 . . . . 39 F CB . 11252 1 289 . 1 1 39 39 PHE CD1 C 13 131.529 0.000 . 3 . . . . 39 F CD1 . 11252 1 290 . 1 1 39 39 PHE N N 15 115.252 0.000 . 1 . . . . 39 F N . 11252 1 291 . 1 1 40 40 GLY H H 1 7.944 0.000 . 1 . . . . 40 G H . 11252 1 292 . 1 1 40 40 GLY HA2 H 1 3.902 0.000 . 2 . . . . 40 G HA2 . 11252 1 293 . 1 1 40 40 GLY HA3 H 1 3.903 0.000 . 2 . . . . 40 G HA3 . 11252 1 294 . 1 1 40 40 GLY CA C 13 47.062 0.000 . 1 . . . . 40 G CA . 11252 1 295 . 1 1 40 40 GLY N N 15 111.494 0.000 . 1 . . . . 40 G N . 11252 1 296 . 1 1 41 41 VAL H H 1 8.277 0.000 . 1 . . . . 41 V H . 11252 1 297 . 1 1 41 41 VAL HA H 1 4.576 0.000 . 1 . . . . 41 V HA . 11252 1 298 . 1 1 41 41 VAL HB H 1 2.043 0.000 . 1 . . . . 41 V HB . 11252 1 299 . 1 1 41 41 VAL HG11 H 1 0.625 0.000 . 2 . . . . 41 V QG1 . 11252 1 300 . 1 1 41 41 VAL HG12 H 1 0.625 0.000 . 2 . . . . 41 V QG1 . 11252 1 301 . 1 1 41 41 VAL HG13 H 1 0.625 0.000 . 2 . . . . 41 V QG1 . 11252 1 302 . 1 1 41 41 VAL HG21 H 1 0.807 0.000 . 2 . . . . 41 V QG2 . 11252 1 303 . 1 1 41 41 VAL HG22 H 1 0.807 0.000 . 2 . . . . 41 V QG2 . 11252 1 304 . 1 1 41 41 VAL HG23 H 1 0.807 0.000 . 2 . . . . 41 V QG2 . 11252 1 305 . 1 1 41 41 VAL CA C 13 58.508 0.000 . 1 . . . . 41 V CA . 11252 1 306 . 1 1 41 41 VAL CB C 13 36.048 0.000 . 1 . . . . 41 V CB . 11252 1 307 . 1 1 41 41 VAL CG1 C 13 18.737 0.000 . 2 . . . . 41 V CG1 . 11252 1 308 . 1 1 41 41 VAL CG2 C 13 21.303 0.000 . 2 . . . . 41 V CG2 . 11252 1 309 . 1 1 41 41 VAL N N 15 112.405 0.000 . 1 . . . . 41 V N . 11252 1 310 . 1 1 42 42 HIS H H 1 8.368 0.000 . 1 . . . . 42 H H . 11252 1 311 . 1 1 42 42 HIS HA H 1 4.352 0.000 . 1 . . . . 42 H HA . 11252 1 312 . 1 1 42 42 HIS HB2 H 1 2.569 0.000 . 2 . . . . 42 H HB2 . 11252 1 313 . 1 1 42 42 HIS HB3 H 1 2.294 0.000 . 2 . . . . 42 H HB3 . 11252 1 314 . 1 1 42 42 HIS CA C 13 57.675 0.000 . 1 . . . . 42 H CA . 11252 1 315 . 1 1 42 42 HIS CB C 13 30.698 0.000 . 1 . . . . 42 H CB . 11252 1 316 . 1 1 42 42 HIS N N 15 121.775 0.000 . 1 . . . . 42 H N . 11252 1 317 . 1 1 43 43 TYR H H 1 8.217 0.000 . 1 . . . . 43 Y H . 11252 1 318 . 1 1 43 43 TYR HA H 1 3.941 0.000 . 1 . . . . 43 Y HA . 11252 1 319 . 1 1 43 43 TYR HB2 H 1 2.835 0.000 . 2 . . . . 43 Y HB2 . 11252 1 320 . 1 1 43 43 TYR HB3 H 1 2.836 0.000 . 2 . . . . 43 Y HB3 . 11252 1 321 . 1 1 43 43 TYR HD1 H 1 6.959 0.000 . 3 . . . . 43 Y HD1 . 11252 1 322 . 1 1 43 43 TYR HE1 H 1 6.704 0.000 . 3 . . . . 43 Y HE1 . 11252 1 323 . 1 1 43 43 TYR CA C 13 60.647 0.000 . 1 . . . . 43 Y CA . 11252 1 324 . 1 1 43 43 TYR CB C 13 37.265 0.000 . 1 . . . . 43 Y CB . 11252 1 325 . 1 1 43 43 TYR CD1 C 13 133.329 0.000 . 3 . . . . 43 Y CD1 . 11252 1 326 . 1 1 43 43 TYR CE1 C 13 118.000 0.000 . 3 . . . . 43 Y CE1 . 11252 1 327 . 1 1 43 43 TYR N N 15 124.256 0.000 . 1 . . . . 43 Y N . 11252 1 328 . 1 1 44 44 PHE H H 1 7.744 0.000 . 1 . . . . 44 F H . 11252 1 329 . 1 1 44 44 PHE HA H 1 4.659 0.000 . 1 . . . . 44 F HA . 11252 1 330 . 1 1 44 44 PHE HB2 H 1 3.064 0.000 . 2 . . . . 44 F HB2 . 11252 1 331 . 1 1 44 44 PHE HB3 H 1 2.787 0.000 . 2 . . . . 44 F HB3 . 11252 1 332 . 1 1 44 44 PHE HD1 H 1 6.767 0.000 . 3 . . . . 44 F HD1 . 11252 1 333 . 1 1 44 44 PHE HE1 H 1 7.228 0.000 . 3 . . . . 44 F HE1 . 11252 1 334 . 1 1 44 44 PHE CA C 13 56.152 0.000 . 1 . . . . 44 F CA . 11252 1 335 . 1 1 44 44 PHE CB C 13 36.790 0.000 . 1 . . . . 44 F CB . 11252 1 336 . 1 1 44 44 PHE CD1 C 13 130.207 0.000 . 3 . . . . 44 F CD1 . 11252 1 337 . 1 1 44 44 PHE CE1 C 13 131.812 0.000 . 3 . . . . 44 F CE1 . 11252 1 338 . 1 1 44 44 PHE N N 15 120.301 0.000 . 1 . . . . 44 F N . 11252 1 339 . 1 1 45 45 ASN H H 1 8.002 0.000 . 1 . . . . 45 N H . 11252 1 340 . 1 1 45 45 ASN HA H 1 4.498 0.000 . 1 . . . . 45 N HA . 11252 1 341 . 1 1 45 45 ASN HB2 H 1 2.608 0.000 . 2 . . . . 45 N HB2 . 11252 1 342 . 1 1 45 45 ASN HB3 H 1 2.798 0.000 . 2 . . . . 45 N HB3 . 11252 1 343 . 1 1 45 45 ASN CA C 13 54.182 0.000 . 1 . . . . 45 N CA . 11252 1 344 . 1 1 45 45 ASN CB C 13 38.465 0.000 . 1 . . . . 45 N CB . 11252 1 345 . 1 1 45 45 ASN N N 15 116.334 0.000 . 1 . . . . 45 N N . 11252 1 346 . 1 1 46 46 ILE H H 1 7.410 0.000 . 1 . . . . 46 I H . 11252 1 347 . 1 1 46 46 ILE HA H 1 3.310 0.000 . 1 . . . . 46 I HA . 11252 1 348 . 1 1 46 46 ILE HB H 1 1.960 0.000 . 1 . . . . 46 I HB . 11252 1 349 . 1 1 46 46 ILE HD11 H 1 0.150 0.000 . 1 . . . . 46 I QD1 . 11252 1 350 . 1 1 46 46 ILE HD12 H 1 0.150 0.000 . 1 . . . . 46 I QD1 . 11252 1 351 . 1 1 46 46 ILE HD13 H 1 0.150 0.000 . 1 . . . . 46 I QD1 . 11252 1 352 . 1 1 46 46 ILE HG12 H 1 1.119 0.000 . 2 . . . . 46 I HG12 . 11252 1 353 . 1 1 46 46 ILE HG13 H 1 0.616 0.000 . 2 . . . . 46 I HG13 . 11252 1 354 . 1 1 46 46 ILE HG21 H 1 -0.097 0.000 . 1 . . . . 46 I QG2 . 11252 1 355 . 1 1 46 46 ILE HG22 H 1 -0.097 0.000 . 1 . . . . 46 I QG2 . 11252 1 356 . 1 1 46 46 ILE HG23 H 1 -0.097 0.000 . 1 . . . . 46 I QG2 . 11252 1 357 . 1 1 46 46 ILE CA C 13 62.593 0.000 . 1 . . . . 46 I CA . 11252 1 358 . 1 1 46 46 ILE CB C 13 34.843 0.000 . 1 . . . . 46 I CB . 11252 1 359 . 1 1 46 46 ILE CD1 C 13 11.006 0.000 . 1 . . . . 46 I CD1 . 11252 1 360 . 1 1 46 46 ILE CG1 C 13 25.990 0.000 . 1 . . . . 46 I CG1 . 11252 1 361 . 1 1 46 46 ILE CG2 C 13 16.230 0.000 . 1 . . . . 46 I CG2 . 11252 1 362 . 1 1 46 46 ILE N N 15 122.686 0.000 . 1 . . . . 46 I N . 11252 1 363 . 1 1 47 47 PHE H H 1 7.011 0.000 . 1 . . . . 47 F H . 11252 1 364 . 1 1 47 47 PHE HA H 1 4.911 0.000 . 1 . . . . 47 F HA . 11252 1 365 . 1 1 47 47 PHE HB2 H 1 2.684 0.000 . 2 . . . . 47 F HB2 . 11252 1 366 . 1 1 47 47 PHE HB3 H 1 2.850 0.000 . 2 . . . . 47 F HB3 . 11252 1 367 . 1 1 47 47 PHE HD1 H 1 7.261 0.000 . 3 . . . . 47 F HD1 . 11252 1 368 . 1 1 47 47 PHE HE1 H 1 7.066 0.000 . 3 . . . . 47 F HE1 . 11252 1 369 . 1 1 47 47 PHE CA C 13 56.533 0.000 . 1 . . . . 47 F CA . 11252 1 370 . 1 1 47 47 PHE CB C 13 43.597 0.000 . 1 . . . . 47 F CB . 11252 1 371 . 1 1 47 47 PHE CD1 C 13 132.699 0.000 . 3 . . . . 47 F CD1 . 11252 1 372 . 1 1 47 47 PHE CE1 C 13 130.103 0.000 . 3 . . . . 47 F CE1 . 11252 1 373 . 1 1 47 47 PHE N N 15 111.735 0.000 . 1 . . . . 47 F N . 11252 1 374 . 1 1 48 48 ASN H H 1 8.554 0.000 . 1 . . . . 48 N H . 11252 1 375 . 1 1 48 48 ASN HA H 1 4.554 0.000 . 1 . . . . 48 N HA . 11252 1 376 . 1 1 48 48 ASN HB2 H 1 2.830 0.000 . 2 . . . . 48 N HB2 . 11252 1 377 . 1 1 48 48 ASN HB3 H 1 3.134 0.000 . 2 . . . . 48 N HB3 . 11252 1 378 . 1 1 48 48 ASN CA C 13 51.635 0.000 . 1 . . . . 48 N CA . 11252 1 379 . 1 1 48 48 ASN CB C 13 38.092 0.000 . 1 . . . . 48 N CB . 11252 1 380 . 1 1 48 48 ASN N N 15 116.682 0.000 . 1 . . . . 48 N N . 11252 1 381 . 1 1 49 49 THR H H 1 7.795 0.000 . 1 . . . . 49 T H . 11252 1 382 . 1 1 49 49 THR HA H 1 3.793 0.000 . 1 . . . . 49 T HA . 11252 1 383 . 1 1 49 49 THR HB H 1 3.786 0.000 . 1 . . . . 49 T HB . 11252 1 384 . 1 1 49 49 THR HG21 H 1 1.226 0.000 . 1 . . . . 49 T QG2 . 11252 1 385 . 1 1 49 49 THR HG22 H 1 1.226 0.000 . 1 . . . . 49 T QG2 . 11252 1 386 . 1 1 49 49 THR HG23 H 1 1.226 0.000 . 1 . . . . 49 T QG2 . 11252 1 387 . 1 1 49 49 THR CA C 13 66.744 0.000 . 1 . . . . 49 T CA . 11252 1 388 . 1 1 49 49 THR CB C 13 68.622 0.000 . 1 . . . . 49 T CB . 11252 1 389 . 1 1 49 49 THR CG2 C 13 22.253 0.000 . 1 . . . . 49 T CG2 . 11252 1 390 . 1 1 49 49 THR N N 15 111.534 0.000 . 1 . . . . 49 T N . 11252 1 391 . 1 1 50 50 VAL H H 1 7.679 0.000 . 1 . . . . 50 V H . 11252 1 392 . 1 1 50 50 VAL HA H 1 3.604 0.000 . 1 . . . . 50 V HA . 11252 1 393 . 1 1 50 50 VAL HB H 1 2.025 0.000 . 1 . . . . 50 V HB . 11252 1 394 . 1 1 50 50 VAL HG11 H 1 0.889 0.000 . 2 . . . . 50 V QG1 . 11252 1 395 . 1 1 50 50 VAL HG12 H 1 0.889 0.000 . 2 . . . . 50 V QG1 . 11252 1 396 . 1 1 50 50 VAL HG13 H 1 0.889 0.000 . 2 . . . . 50 V QG1 . 11252 1 397 . 1 1 50 50 VAL HG21 H 1 0.904 0.000 . 2 . . . . 50 V QG2 . 11252 1 398 . 1 1 50 50 VAL HG22 H 1 0.904 0.000 . 2 . . . . 50 V QG2 . 11252 1 399 . 1 1 50 50 VAL HG23 H 1 0.904 0.000 . 2 . . . . 50 V QG2 . 11252 1 400 . 1 1 50 50 VAL CA C 13 66.258 0.000 . 1 . . . . 50 V CA . 11252 1 401 . 1 1 50 50 VAL CB C 13 31.260 0.000 . 1 . . . . 50 V CB . 11252 1 402 . 1 1 50 50 VAL CG1 C 13 20.874 0.000 . 2 . . . . 50 V CG1 . 11252 1 403 . 1 1 50 50 VAL CG2 C 13 22.255 0.000 . 2 . . . . 50 V CG2 . 11252 1 404 . 1 1 50 50 VAL N N 15 121.534 0.000 . 1 . . . . 50 V N . 11252 1 405 . 1 1 51 51 THR H H 1 8.089 0.000 . 1 . . . . 51 T H . 11252 1 406 . 1 1 51 51 THR HA H 1 3.706 0.000 . 1 . . . . 51 T HA . 11252 1 407 . 1 1 51 51 THR HB H 1 4.125 0.000 . 1 . . . . 51 T HB . 11252 1 408 . 1 1 51 51 THR HG21 H 1 1.041 0.000 . 1 . . . . 51 T QG2 . 11252 1 409 . 1 1 51 51 THR HG22 H 1 1.041 0.000 . 1 . . . . 51 T QG2 . 11252 1 410 . 1 1 51 51 THR HG23 H 1 1.041 0.000 . 1 . . . . 51 T QG2 . 11252 1 411 . 1 1 51 51 THR CA C 13 67.564 0.000 . 1 . . . . 51 T CA . 11252 1 412 . 1 1 51 51 THR CB C 13 68.863 0.000 . 1 . . . . 51 T CB . 11252 1 413 . 1 1 51 51 THR CG2 C 13 20.830 0.000 . 1 . . . . 51 T CG2 . 11252 1 414 . 1 1 51 51 THR N N 15 118.441 0.000 . 1 . . . . 51 T N . 11252 1 415 . 1 1 52 52 LEU H H 1 8.643 0.000 . 1 . . . . 52 L H . 11252 1 416 . 1 1 52 52 LEU HA H 1 3.684 0.000 . 1 . . . . 52 L HA . 11252 1 417 . 1 1 52 52 LEU HB2 H 1 1.150 0.000 . 2 . . . . 52 L HB2 . 11252 1 418 . 1 1 52 52 LEU HB3 H 1 1.863 0.000 . 2 . . . . 52 L HB3 . 11252 1 419 . 1 1 52 52 LEU HD11 H 1 0.829 0.000 . 2 . . . . 52 L QD1 . 11252 1 420 . 1 1 52 52 LEU HD12 H 1 0.829 0.000 . 2 . . . . 52 L QD1 . 11252 1 421 . 1 1 52 52 LEU HD13 H 1 0.829 0.000 . 2 . . . . 52 L QD1 . 11252 1 422 . 1 1 52 52 LEU HD21 H 1 0.934 0.000 . 2 . . . . 52 L QD2 . 11252 1 423 . 1 1 52 52 LEU HD22 H 1 0.934 0.000 . 2 . . . . 52 L QD2 . 11252 1 424 . 1 1 52 52 LEU HD23 H 1 0.934 0.000 . 2 . . . . 52 L QD2 . 11252 1 425 . 1 1 52 52 LEU HG H 1 1.684 0.000 . 1 . . . . 52 L HG . 11252 1 426 . 1 1 52 52 LEU CA C 13 58.665 0.000 . 1 . . . . 52 L CA . 11252 1 427 . 1 1 52 52 LEU CB C 13 42.196 0.000 . 1 . . . . 52 L CB . 11252 1 428 . 1 1 52 52 LEU CD1 C 13 25.666 0.000 . 2 . . . . 52 L CD1 . 11252 1 429 . 1 1 52 52 LEU CD2 C 13 24.400 0.000 . 2 . . . . 52 L CD2 . 11252 1 430 . 1 1 52 52 LEU CG C 13 26.664 0.000 . 1 . . . . 52 L CG . 11252 1 431 . 1 1 52 52 LEU N N 15 120.674 0.000 . 1 . . . . 52 L N . 11252 1 432 . 1 1 53 53 LYS H H 1 7.710 0.000 . 1 . . . . 53 K H . 11252 1 433 . 1 1 53 53 LYS HA H 1 3.797 0.000 . 1 . . . . 53 K HA . 11252 1 434 . 1 1 53 53 LYS HB2 H 1 1.842 0.000 . 2 . . . . 53 K HB2 . 11252 1 435 . 1 1 53 53 LYS HB3 H 1 1.903 0.000 . 2 . . . . 53 K HB3 . 11252 1 436 . 1 1 53 53 LYS HD2 H 1 1.587 0.000 . 2 . . . . 53 K HD2 . 11252 1 437 . 1 1 53 53 LYS HD3 H 1 1.586 0.000 . 2 . . . . 53 K HD3 . 11252 1 438 . 1 1 53 53 LYS HE2 H 1 2.851 0.000 . 2 . . . . 53 K HE2 . 11252 1 439 . 1 1 53 53 LYS HE3 H 1 2.851 0.000 . 2 . . . . 53 K HE3 . 11252 1 440 . 1 1 53 53 LYS HG2 H 1 1.386 0.000 . 2 . . . . 53 K HG2 . 11252 1 441 . 1 1 53 53 LYS HG3 H 1 1.452 0.000 . 2 . . . . 53 K HG3 . 11252 1 442 . 1 1 53 53 LYS CA C 13 60.262 0.000 . 1 . . . . 53 K CA . 11252 1 443 . 1 1 53 53 LYS CB C 13 31.962 0.000 . 1 . . . . 53 K CB . 11252 1 444 . 1 1 53 53 LYS CD C 13 29.343 0.000 . 1 . . . . 53 K CD . 11252 1 445 . 1 1 53 53 LYS CE C 13 41.878 0.000 . 1 . . . . 53 K CE . 11252 1 446 . 1 1 53 53 LYS CG C 13 25.478 0.000 . 1 . . . . 53 K CG . 11252 1 447 . 1 1 53 53 LYS N N 15 117.525 0.000 . 1 . . . . 53 K N . 11252 1 448 . 1 1 54 54 LYS H H 1 7.588 0.000 . 1 . . . . 54 K H . 11252 1 449 . 1 1 54 54 LYS HA H 1 3.983 0.000 . 1 . . . . 54 K HA . 11252 1 450 . 1 1 54 54 LYS HB2 H 1 1.915 0.000 . 2 . . . . 54 K HB2 . 11252 1 451 . 1 1 54 54 LYS HB3 H 1 1.756 0.000 . 2 . . . . 54 K HB3 . 11252 1 452 . 1 1 54 54 LYS HD2 H 1 1.639 0.000 . 2 . . . . 54 K HD2 . 11252 1 453 . 1 1 54 54 LYS HD3 H 1 1.710 0.000 . 2 . . . . 54 K HD3 . 11252 1 454 . 1 1 54 54 LYS HE2 H 1 2.881 0.000 . 2 . . . . 54 K HE2 . 11252 1 455 . 1 1 54 54 LYS HE3 H 1 2.880 0.000 . 2 . . . . 54 K HE3 . 11252 1 456 . 1 1 54 54 LYS HG2 H 1 1.447 0.000 . 2 . . . . 54 K HG2 . 11252 1 457 . 1 1 54 54 LYS HG3 H 1 1.587 0.000 . 2 . . . . 54 K HG3 . 11252 1 458 . 1 1 54 54 LYS CA C 13 59.187 0.000 . 1 . . . . 54 K CA . 11252 1 459 . 1 1 54 54 LYS CB C 13 33.093 0.000 . 1 . . . . 54 K CB . 11252 1 460 . 1 1 54 54 LYS CD C 13 29.121 0.000 . 1 . . . . 54 K CD . 11252 1 461 . 1 1 54 54 LYS CE C 13 42.279 0.000 . 1 . . . . 54 K CE . 11252 1 462 . 1 1 54 54 LYS CG C 13 25.702 0.000 . 1 . . . . 54 K CG . 11252 1 463 . 1 1 54 54 LYS N N 15 118.116 0.000 . 1 . . . . 54 K N . 11252 1 464 . 1 1 55 55 LEU H H 1 8.652 0.000 . 1 . . . . 55 L H . 11252 1 465 . 1 1 55 55 LEU HA H 1 3.702 0.000 . 1 . . . . 55 L HA . 11252 1 466 . 1 1 55 55 LEU HB2 H 1 1.942 0.000 . 2 . . . . 55 L HB2 . 11252 1 467 . 1 1 55 55 LEU HB3 H 1 0.914 0.000 . 2 . . . . 55 L HB3 . 11252 1 468 . 1 1 55 55 LEU HD11 H 1 0.515 0.000 . 2 . . . . 55 L QD1 . 11252 1 469 . 1 1 55 55 LEU HD12 H 1 0.515 0.000 . 2 . . . . 55 L QD1 . 11252 1 470 . 1 1 55 55 LEU HD13 H 1 0.515 0.000 . 2 . . . . 55 L QD1 . 11252 1 471 . 1 1 55 55 LEU HD21 H 1 0.033 0.000 . 2 . . . . 55 L QD2 . 11252 1 472 . 1 1 55 55 LEU HD22 H 1 0.033 0.000 . 2 . . . . 55 L QD2 . 11252 1 473 . 1 1 55 55 LEU HD23 H 1 0.033 0.000 . 2 . . . . 55 L QD2 . 11252 1 474 . 1 1 55 55 LEU HG H 1 1.410 0.000 . 1 . . . . 55 L HG . 11252 1 475 . 1 1 55 55 LEU CA C 13 58.053 0.000 . 1 . . . . 55 L CA . 11252 1 476 . 1 1 55 55 LEU CB C 13 42.832 0.000 . 1 . . . . 55 L CB . 11252 1 477 . 1 1 55 55 LEU CD1 C 13 24.877 0.000 . 2 . . . . 55 L CD1 . 11252 1 478 . 1 1 55 55 LEU CD2 C 13 25.042 0.000 . 2 . . . . 55 L CD2 . 11252 1 479 . 1 1 55 55 LEU CG C 13 26.391 0.000 . 1 . . . . 55 L CG . 11252 1 480 . 1 1 55 55 LEU N N 15 121.855 0.000 . 1 . . . . 55 L N . 11252 1 481 . 1 1 56 56 ALA H H 1 8.110 0.000 . 1 . . . . 56 A H . 11252 1 482 . 1 1 56 56 ALA HA H 1 3.893 0.000 . 1 . . . . 56 A HA . 11252 1 483 . 1 1 56 56 ALA HB1 H 1 1.344 0.000 . 1 . . . . 56 A QB . 11252 1 484 . 1 1 56 56 ALA HB2 H 1 1.344 0.000 . 1 . . . . 56 A QB . 11252 1 485 . 1 1 56 56 ALA HB3 H 1 1.344 0.000 . 1 . . . . 56 A QB . 11252 1 486 . 1 1 56 56 ALA CA C 13 54.928 0.000 . 1 . . . . 56 A CA . 11252 1 487 . 1 1 56 56 ALA CB C 13 18.310 0.000 . 1 . . . . 56 A CB . 11252 1 488 . 1 1 56 56 ALA N N 15 121.676 0.000 . 1 . . . . 56 A N . 11252 1 489 . 1 1 57 57 GLU H H 1 8.055 0.000 . 1 . . . . 57 E H . 11252 1 490 . 1 1 57 57 GLU HA H 1 3.869 0.000 . 1 . . . . 57 E HA . 11252 1 491 . 1 1 57 57 GLU HB2 H 1 1.883 0.000 . 2 . . . . 57 E HB2 . 11252 1 492 . 1 1 57 57 GLU HB3 H 1 1.989 0.000 . 2 . . . . 57 E HB3 . 11252 1 493 . 1 1 57 57 GLU HG2 H 1 2.218 0.000 . 2 . . . . 57 E HG2 . 11252 1 494 . 1 1 57 57 GLU HG3 H 1 2.353 0.000 . 2 . . . . 57 E HG3 . 11252 1 495 . 1 1 57 57 GLU CA C 13 58.230 0.000 . 1 . . . . 57 E CA . 11252 1 496 . 1 1 57 57 GLU CB C 13 29.718 0.000 . 1 . . . . 57 E CB . 11252 1 497 . 1 1 57 57 GLU CG C 13 36.594 0.000 . 1 . . . . 57 E CG . 11252 1 498 . 1 1 57 57 GLU N N 15 112.666 0.000 . 1 . . . . 57 E N . 11252 1 499 . 1 1 58 58 SER H H 1 7.496 0.000 . 1 . . . . 58 S H . 11252 1 500 . 1 1 58 58 SER HA H 1 3.997 0.000 . 1 . . . . 58 S HA . 11252 1 501 . 1 1 58 58 SER HB2 H 1 3.830 0.000 . 2 . . . . 58 S HB2 . 11252 1 502 . 1 1 58 58 SER HB3 H 1 3.833 0.000 . 2 . . . . 58 S HB3 . 11252 1 503 . 1 1 58 58 SER CA C 13 61.144 0.000 . 1 . . . . 58 S CA . 11252 1 504 . 1 1 58 58 SER CB C 13 63.220 0.000 . 1 . . . . 58 S CB . 11252 1 505 . 1 1 58 58 SER N N 15 113.742 0.000 . 1 . . . . 58 S N . 11252 1 506 . 1 1 59 59 LEU H H 1 7.294 0.000 . 1 . . . . 59 L H . 11252 1 507 . 1 1 59 59 LEU HA H 1 3.568 0.000 . 1 . . . . 59 L HA . 11252 1 508 . 1 1 59 59 LEU HB2 H 1 1.648 0.000 . 2 . . . . 59 L HB2 . 11252 1 509 . 1 1 59 59 LEU HB3 H 1 1.820 0.000 . 2 . . . . 59 L HB3 . 11252 1 510 . 1 1 59 59 LEU HD11 H 1 0.763 0.000 . 2 . . . . 59 L QD1 . 11252 1 511 . 1 1 59 59 LEU HD12 H 1 0.763 0.000 . 2 . . . . 59 L QD1 . 11252 1 512 . 1 1 59 59 LEU HD13 H 1 0.763 0.000 . 2 . . . . 59 L QD1 . 11252 1 513 . 1 1 59 59 LEU HD21 H 1 0.638 0.000 . 2 . . . . 59 L QD2 . 11252 1 514 . 1 1 59 59 LEU HD22 H 1 0.638 0.000 . 2 . . . . 59 L QD2 . 11252 1 515 . 1 1 59 59 LEU HD23 H 1 0.638 0.000 . 2 . . . . 59 L QD2 . 11252 1 516 . 1 1 59 59 LEU HG H 1 1.773 0.000 . 1 . . . . 59 L HG . 11252 1 517 . 1 1 59 59 LEU CA C 13 56.128 0.000 . 1 . . . . 59 L CA . 11252 1 518 . 1 1 59 59 LEU CB C 13 39.925 0.000 . 1 . . . . 59 L CB . 11252 1 519 . 1 1 59 59 LEU CD1 C 13 26.786 0.000 . 2 . . . . 59 L CD1 . 11252 1 520 . 1 1 59 59 LEU CD2 C 13 23.369 0.000 . 2 . . . . 59 L CD2 . 11252 1 521 . 1 1 59 59 LEU CG C 13 25.463 0.000 . 1 . . . . 59 L CG . 11252 1 522 . 1 1 59 59 LEU N N 15 114.801 0.000 . 1 . . . . 59 L N . 11252 1 523 . 1 1 60 60 SER H H 1 7.984 0.000 . 1 . . . . 60 S H . 11252 1 524 . 1 1 60 60 SER HA H 1 4.525 0.000 . 1 . . . . 60 S HA . 11252 1 525 . 1 1 60 60 SER HB2 H 1 3.395 0.000 . 2 . . . . 60 S HB2 . 11252 1 526 . 1 1 60 60 SER HB3 H 1 3.547 0.000 . 2 . . . . 60 S HB3 . 11252 1 527 . 1 1 60 60 SER CA C 13 57.088 0.000 . 1 . . . . 60 S CA . 11252 1 528 . 1 1 60 60 SER CB C 13 58.611 0.000 . 1 . . . . 60 S CB . 11252 1 529 . 1 1 60 60 SER N N 15 113.747 0.000 . 1 . . . . 60 S N . 11252 1 530 . 1 1 61 61 SER H H 1 8.238 0.000 . 1 . . . . 61 S H . 11252 1 531 . 1 1 61 61 SER HA H 1 4.446 0.000 . 1 . . . . 61 S HA . 11252 1 532 . 1 1 61 61 SER HB2 H 1 3.258 0.000 . 2 . . . . 61 S HB2 . 11252 1 533 . 1 1 61 61 SER HB3 H 1 4.172 0.000 . 2 . . . . 61 S HB3 . 11252 1 534 . 1 1 61 61 SER CA C 13 56.012 0.000 . 1 . . . . 61 S CA . 11252 1 535 . 1 1 61 61 SER CB C 13 64.157 0.000 . 1 . . . . 61 S CB . 11252 1 536 . 1 1 61 61 SER N N 15 115.515 0.000 . 1 . . . . 61 S N . 11252 1 537 . 1 1 62 62 ASP H H 1 8.098 0.000 . 1 . . . . 62 D H . 11252 1 538 . 1 1 62 62 ASP HA H 1 4.846 0.000 . 1 . . . . 62 D HA . 11252 1 539 . 1 1 62 62 ASP HB2 H 1 2.500 0.000 . 2 . . . . 62 D HB2 . 11252 1 540 . 1 1 62 62 ASP HB3 H 1 2.808 0.000 . 2 . . . . 62 D HB3 . 11252 1 541 . 1 1 62 62 ASP CA C 13 50.687 0.000 . 1 . . . . 62 D CA . 11252 1 542 . 1 1 62 62 ASP CB C 13 41.956 0.000 . 1 . . . . 62 D CB . 11252 1 543 . 1 1 62 62 ASP N N 15 123.524 0.000 . 1 . . . . 62 D N . 11252 1 544 . 1 1 63 63 PRO HA H 1 3.861 0.000 . 1 . . . . 63 P HA . 11252 1 545 . 1 1 63 63 PRO HB2 H 1 1.958 0.000 . 2 . . . . 63 P HB2 . 11252 1 546 . 1 1 63 63 PRO HB3 H 1 2.185 0.000 . 2 . . . . 63 P HB3 . 11252 1 547 . 1 1 63 63 PRO HD2 H 1 3.935 0.000 . 2 . . . . 63 P HD2 . 11252 1 548 . 1 1 63 63 PRO HD3 H 1 4.243 0.000 . 2 . . . . 63 P HD3 . 11252 1 549 . 1 1 63 63 PRO HG2 H 1 1.840 0.000 . 2 . . . . 63 P HG2 . 11252 1 550 . 1 1 63 63 PRO HG3 H 1 2.108 0.000 . 2 . . . . 63 P HG3 . 11252 1 551 . 1 1 63 63 PRO CA C 13 65.631 0.000 . 1 . . . . 63 P CA . 11252 1 552 . 1 1 63 63 PRO CB C 13 32.234 0.000 . 1 . . . . 63 P CB . 11252 1 553 . 1 1 63 63 PRO CD C 13 51.090 0.000 . 1 . . . . 63 P CD . 11252 1 554 . 1 1 63 63 PRO CG C 13 27.686 0.000 . 1 . . . . 63 P CG . 11252 1 555 . 1 1 64 64 GLU H H 1 8.092 0.000 . 1 . . . . 64 E H . 11252 1 556 . 1 1 64 64 GLU HA H 1 3.857 0.000 . 1 . . . . 64 E HA . 11252 1 557 . 1 1 64 64 GLU HB2 H 1 1.899 0.000 . 2 . . . . 64 E HB2 . 11252 1 558 . 1 1 64 64 GLU HB3 H 1 1.900 0.000 . 2 . . . . 64 E HB3 . 11252 1 559 . 1 1 64 64 GLU HG2 H 1 2.269 0.000 . 2 . . . . 64 E HG2 . 11252 1 560 . 1 1 64 64 GLU HG3 H 1 2.116 0.000 . 2 . . . . 64 E HG3 . 11252 1 561 . 1 1 64 64 GLU CA C 13 59.175 0.000 . 1 . . . . 64 E CA . 11252 1 562 . 1 1 64 64 GLU CB C 13 29.383 0.000 . 1 . . . . 64 E CB . 11252 1 563 . 1 1 64 64 GLU CG C 13 36.716 0.000 . 1 . . . . 64 E CG . 11252 1 564 . 1 1 64 64 GLU N N 15 113.645 0.000 . 1 . . . . 64 E N . 11252 1 565 . 1 1 65 65 VAL H H 1 7.176 0.000 . 1 . . . . 65 V H . 11252 1 566 . 1 1 65 65 VAL HA H 1 3.578 0.000 . 1 . . . . 65 V HA . 11252 1 567 . 1 1 65 65 VAL HB H 1 2.329 0.000 . 1 . . . . 65 V HB . 11252 1 568 . 1 1 65 65 VAL HG11 H 1 0.823 0.000 . 2 . . . . 65 V QG1 . 11252 1 569 . 1 1 65 65 VAL HG12 H 1 0.823 0.000 . 2 . . . . 65 V QG1 . 11252 1 570 . 1 1 65 65 VAL HG13 H 1 0.823 0.000 . 2 . . . . 65 V QG1 . 11252 1 571 . 1 1 65 65 VAL HG21 H 1 0.894 0.000 . 2 . . . . 65 V QG2 . 11252 1 572 . 1 1 65 65 VAL HG22 H 1 0.894 0.000 . 2 . . . . 65 V QG2 . 11252 1 573 . 1 1 65 65 VAL HG23 H 1 0.894 0.000 . 2 . . . . 65 V QG2 . 11252 1 574 . 1 1 65 65 VAL CA C 13 65.236 0.000 . 1 . . . . 65 V CA . 11252 1 575 . 1 1 65 65 VAL CB C 13 32.180 0.000 . 1 . . . . 65 V CB . 11252 1 576 . 1 1 65 65 VAL CG1 C 13 20.842 0.000 . 2 . . . . 65 V CG1 . 11252 1 577 . 1 1 65 65 VAL CG2 C 13 22.260 0.000 . 2 . . . . 65 V CG2 . 11252 1 578 . 1 1 65 65 VAL N N 15 119.784 0.000 . 1 . . . . 65 V N . 11252 1 579 . 1 1 66 66 LEU H H 1 7.906 0.000 . 1 . . . . 66 L H . 11252 1 580 . 1 1 66 66 LEU HA H 1 3.798 0.000 . 1 . . . . 66 L HA . 11252 1 581 . 1 1 66 66 LEU HB2 H 1 1.625 0.000 . 2 . . . . 66 L HB2 . 11252 1 582 . 1 1 66 66 LEU HB3 H 1 1.078 0.000 . 2 . . . . 66 L HB3 . 11252 1 583 . 1 1 66 66 LEU HD11 H 1 0.491 0.000 . 2 . . . . 66 L QD1 . 11252 1 584 . 1 1 66 66 LEU HD12 H 1 0.491 0.000 . 2 . . . . 66 L QD1 . 11252 1 585 . 1 1 66 66 LEU HD13 H 1 0.491 0.000 . 2 . . . . 66 L QD1 . 11252 1 586 . 1 1 66 66 LEU HD21 H 1 0.667 0.000 . 2 . . . . 66 L QD2 . 11252 1 587 . 1 1 66 66 LEU HD22 H 1 0.667 0.000 . 2 . . . . 66 L QD2 . 11252 1 588 . 1 1 66 66 LEU HD23 H 1 0.667 0.000 . 2 . . . . 66 L QD2 . 11252 1 589 . 1 1 66 66 LEU HG H 1 1.602 0.000 . 1 . . . . 66 L HG . 11252 1 590 . 1 1 66 66 LEU CA C 13 57.821 0.000 . 1 . . . . 66 L CA . 11252 1 591 . 1 1 66 66 LEU CB C 13 41.255 0.000 . 1 . . . . 66 L CB . 11252 1 592 . 1 1 66 66 LEU CD1 C 13 24.681 0.000 . 2 . . . . 66 L CD1 . 11252 1 593 . 1 1 66 66 LEU CD2 C 13 21.706 0.000 . 2 . . . . 66 L CD2 . 11252 1 594 . 1 1 66 66 LEU CG C 13 26.221 0.000 . 1 . . . . 66 L CG . 11252 1 595 . 1 1 66 66 LEU N N 15 119.583 0.000 . 1 . . . . 66 L N . 11252 1 596 . 1 1 67 67 LEU H H 1 7.973 0.000 . 1 . . . . 67 L H . 11252 1 597 . 1 1 67 67 LEU HA H 1 3.901 0.000 . 1 . . . . 67 L HA . 11252 1 598 . 1 1 67 67 LEU HB2 H 1 1.486 0.000 . 2 . . . . 67 L HB2 . 11252 1 599 . 1 1 67 67 LEU HB3 H 1 1.578 0.000 . 2 . . . . 67 L HB3 . 11252 1 600 . 1 1 67 67 LEU HD11 H 1 0.761 0.000 . 2 . . . . 67 L QD1 . 11252 1 601 . 1 1 67 67 LEU HD12 H 1 0.761 0.000 . 2 . . . . 67 L QD1 . 11252 1 602 . 1 1 67 67 LEU HD13 H 1 0.761 0.000 . 2 . . . . 67 L QD1 . 11252 1 603 . 1 1 67 67 LEU HD21 H 1 0.694 0.000 . 2 . . . . 67 L QD2 . 11252 1 604 . 1 1 67 67 LEU HD22 H 1 0.694 0.000 . 2 . . . . 67 L QD2 . 11252 1 605 . 1 1 67 67 LEU HD23 H 1 0.694 0.000 . 2 . . . . 67 L QD2 . 11252 1 606 . 1 1 67 67 LEU HG H 1 1.625 0.000 . 1 . . . . 67 L HG . 11252 1 607 . 1 1 67 67 LEU CA C 13 56.285 0.000 . 1 . . . . 67 L CA . 11252 1 608 . 1 1 67 67 LEU CB C 13 41.721 0.000 . 1 . . . . 67 L CB . 11252 1 609 . 1 1 67 67 LEU CD1 C 13 25.071 0.000 . 2 . . . . 67 L CD1 . 11252 1 610 . 1 1 67 67 LEU CD2 C 13 23.501 0.000 . 2 . . . . 67 L CD2 . 11252 1 611 . 1 1 67 67 LEU CG C 13 27.396 0.000 . 1 . . . . 67 L CG . 11252 1 612 . 1 1 67 67 LEU N N 15 113.505 0.000 . 1 . . . . 67 L N . 11252 1 613 . 1 1 68 68 GLN H H 1 7.189 0.000 . 1 . . . . 68 Q H . 11252 1 614 . 1 1 68 68 GLN HA H 1 4.255 0.000 . 1 . . . . 68 Q HA . 11252 1 615 . 1 1 68 68 GLN HB2 H 1 1.951 0.000 . 2 . . . . 68 Q HB2 . 11252 1 616 . 1 1 68 68 GLN HB3 H 1 2.285 0.000 . 2 . . . . 68 Q HB3 . 11252 1 617 . 1 1 68 68 GLN HG2 H 1 2.291 0.000 . 2 . . . . 68 Q HG2 . 11252 1 618 . 1 1 68 68 GLN HG3 H 1 2.470 0.000 . 2 . . . . 68 Q HG3 . 11252 1 619 . 1 1 68 68 GLN CA C 13 55.314 0.000 . 1 . . . . 68 Q CA . 11252 1 620 . 1 1 68 68 GLN CB C 13 28.710 0.000 . 1 . . . . 68 Q CB . 11252 1 621 . 1 1 68 68 GLN CG C 13 33.821 0.000 . 1 . . . . 68 Q CG . 11252 1 622 . 1 1 68 68 GLN N N 15 114.976 0.000 . 1 . . . . 68 Q N . 11252 1 623 . 1 1 69 69 ILE H H 1 7.718 0.000 . 1 . . . . 69 I H . 11252 1 624 . 1 1 69 69 ILE HA H 1 3.788 0.000 . 1 . . . . 69 I HA . 11252 1 625 . 1 1 69 69 ILE HB H 1 2.063 0.000 . 1 . . . . 69 I HB . 11252 1 626 . 1 1 69 69 ILE HD11 H 1 0.735 0.000 . 1 . . . . 69 I QD1 . 11252 1 627 . 1 1 69 69 ILE HD12 H 1 0.735 0.000 . 1 . . . . 69 I QD1 . 11252 1 628 . 1 1 69 69 ILE HD13 H 1 0.735 0.000 . 1 . . . . 69 I QD1 . 11252 1 629 . 1 1 69 69 ILE HG12 H 1 1.722 0.000 . 2 . . . . 69 I HG12 . 11252 1 630 . 1 1 69 69 ILE HG13 H 1 0.855 0.000 . 2 . . . . 69 I HG13 . 11252 1 631 . 1 1 69 69 ILE HG21 H 1 0.834 0.000 . 1 . . . . 69 I QG2 . 11252 1 632 . 1 1 69 69 ILE HG22 H 1 0.834 0.000 . 1 . . . . 69 I QG2 . 11252 1 633 . 1 1 69 69 ILE HG23 H 1 0.834 0.000 . 1 . . . . 69 I QG2 . 11252 1 634 . 1 1 69 69 ILE CA C 13 61.596 0.000 . 1 . . . . 69 I CA . 11252 1 635 . 1 1 69 69 ILE CB C 13 37.510 0.000 . 1 . . . . 69 I CB . 11252 1 636 . 1 1 69 69 ILE CD1 C 13 13.920 0.000 . 1 . . . . 69 I CD1 . 11252 1 637 . 1 1 69 69 ILE CG1 C 13 30.325 0.000 . 1 . . . . 69 I CG1 . 11252 1 638 . 1 1 69 69 ILE CG2 C 13 17.870 0.000 . 1 . . . . 69 I CG2 . 11252 1 639 . 1 1 69 69 ILE N N 15 123.498 0.000 . 1 . . . . 69 I N . 11252 1 640 . 1 1 70 70 ASP H H 1 8.425 0.000 . 1 . . . . 70 D H . 11252 1 641 . 1 1 70 70 ASP HA H 1 4.246 0.000 . 1 . . . . 70 D HA . 11252 1 642 . 1 1 70 70 ASP HB2 H 1 2.511 0.000 . 2 . . . . 70 D HB2 . 11252 1 643 . 1 1 70 70 ASP HB3 H 1 2.512 0.000 . 2 . . . . 70 D HB3 . 11252 1 644 . 1 1 70 70 ASP CA C 13 56.281 0.000 . 1 . . . . 70 D CA . 11252 1 645 . 1 1 70 70 ASP CB C 13 41.045 0.000 . 1 . . . . 70 D CB . 11252 1 646 . 1 1 70 70 ASP N N 15 128.612 0.000 . 1 . . . . 70 D N . 11252 1 647 . 1 1 71 71 GLY H H 1 8.656 0.000 . 1 . . . . 71 G H . 11252 1 648 . 1 1 71 71 GLY HA2 H 1 3.649 0.000 . 2 . . . . 71 G HA2 . 11252 1 649 . 1 1 71 71 GLY HA3 H 1 4.444 0.000 . 2 . . . . 71 G HA3 . 11252 1 650 . 1 1 71 71 GLY CA C 13 45.053 0.000 . 1 . . . . 71 G CA . 11252 1 651 . 1 1 71 71 GLY N N 15 113.661 0.000 . 1 . . . . 71 G N . 11252 1 652 . 1 1 72 72 VAL H H 1 8.259 0.000 . 1 . . . . 72 V H . 11252 1 653 . 1 1 72 72 VAL HA H 1 4.054 0.000 . 1 . . . . 72 V HA . 11252 1 654 . 1 1 72 72 VAL HB H 1 2.631 0.000 . 1 . . . . 72 V HB . 11252 1 655 . 1 1 72 72 VAL HG11 H 1 0.677 0.000 . 2 . . . . 72 V QG1 . 11252 1 656 . 1 1 72 72 VAL HG12 H 1 0.677 0.000 . 2 . . . . 72 V QG1 . 11252 1 657 . 1 1 72 72 VAL HG13 H 1 0.677 0.000 . 2 . . . . 72 V QG1 . 11252 1 658 . 1 1 72 72 VAL HG21 H 1 0.554 0.000 . 2 . . . . 72 V QG2 . 11252 1 659 . 1 1 72 72 VAL HG22 H 1 0.554 0.000 . 2 . . . . 72 V QG2 . 11252 1 660 . 1 1 72 72 VAL HG23 H 1 0.554 0.000 . 2 . . . . 72 V QG2 . 11252 1 661 . 1 1 72 72 VAL CA C 13 63.636 0.000 . 1 . . . . 72 V CA . 11252 1 662 . 1 1 72 72 VAL CB C 13 30.136 0.000 . 1 . . . . 72 V CB . 11252 1 663 . 1 1 72 72 VAL CG1 C 13 22.161 0.000 . 2 . . . . 72 V CG1 . 11252 1 664 . 1 1 72 72 VAL CG2 C 13 22.161 0.000 . 2 . . . . 72 V CG2 . 11252 1 665 . 1 1 72 72 VAL N N 15 122.528 0.000 . 1 . . . . 72 V N . 11252 1 666 . 1 1 73 73 THR H H 1 6.398 0.000 . 1 . . . . 73 T H . 11252 1 667 . 1 1 73 73 THR HA H 1 4.729 0.000 . 1 . . . . 73 T HA . 11252 1 668 . 1 1 73 73 THR HB H 1 4.612 0.000 . 1 . . . . 73 T HB . 11252 1 669 . 1 1 73 73 THR HG21 H 1 1.162 0.000 . 1 . . . . 73 T QG2 . 11252 1 670 . 1 1 73 73 THR HG22 H 1 1.162 0.000 . 1 . . . . 73 T QG2 . 11252 1 671 . 1 1 73 73 THR HG23 H 1 1.162 0.000 . 1 . . . . 73 T QG2 . 11252 1 672 . 1 1 73 73 THR CA C 13 58.456 0.000 . 1 . . . . 73 T CA . 11252 1 673 . 1 1 73 73 THR CB C 13 72.047 0.000 . 1 . . . . 73 T CB . 11252 1 674 . 1 1 73 73 THR CG2 C 13 21.925 0.000 . 1 . . . . 73 T CG2 . 11252 1 675 . 1 1 73 73 THR N N 15 112.577 0.000 . 1 . . . . 73 T N . 11252 1 676 . 1 1 74 74 GLU H H 1 9.446 0.000 . 1 . . . . 74 E H . 11252 1 677 . 1 1 74 74 GLU HA H 1 3.830 0.000 . 1 . . . . 74 E HA . 11252 1 678 . 1 1 74 74 GLU HB2 H 1 2.012 0.000 . 2 . . . . 74 E HB2 . 11252 1 679 . 1 1 74 74 GLU HB3 H 1 2.337 0.000 . 2 . . . . 74 E HB3 . 11252 1 680 . 1 1 74 74 GLU HG2 H 1 2.344 0.000 . 2 . . . . 74 E HG2 . 11252 1 681 . 1 1 74 74 GLU HG3 H 1 2.295 0.000 . 2 . . . . 74 E HG3 . 11252 1 682 . 1 1 74 74 GLU CA C 13 60.654 0.000 . 1 . . . . 74 E CA . 11252 1 683 . 1 1 74 74 GLU CB C 13 29.178 0.000 . 1 . . . . 74 E CB . 11252 1 684 . 1 1 74 74 GLU CG C 13 37.238 0.000 . 1 . . . . 74 E CG . 11252 1 685 . 1 1 74 74 GLU N N 15 122.358 0.000 . 1 . . . . 74 E N . 11252 1 686 . 1 1 75 75 ASP H H 1 8.477 0.000 . 1 . . . . 75 D H . 11252 1 687 . 1 1 75 75 ASP HA H 1 4.308 0.000 . 1 . . . . 75 D HA . 11252 1 688 . 1 1 75 75 ASP HB2 H 1 2.534 0.000 . 2 . . . . 75 D HB2 . 11252 1 689 . 1 1 75 75 ASP HB3 H 1 2.468 0.000 . 2 . . . . 75 D HB3 . 11252 1 690 . 1 1 75 75 ASP CA C 13 57.090 0.000 . 1 . . . . 75 D CA . 11252 1 691 . 1 1 75 75 ASP CB C 13 40.961 0.000 . 1 . . . . 75 D CB . 11252 1 692 . 1 1 75 75 ASP N N 15 117.828 0.000 . 1 . . . . 75 D N . 11252 1 693 . 1 1 76 76 LYS H H 1 7.513 0.000 . 1 . . . . 76 K H . 11252 1 694 . 1 1 76 76 LYS HA H 1 3.820 0.000 . 1 . . . . 76 K HA . 11252 1 695 . 1 1 76 76 LYS HB2 H 1 1.803 0.000 . 2 . . . . 76 K HB2 . 11252 1 696 . 1 1 76 76 LYS HB3 H 1 1.954 0.000 . 2 . . . . 76 K HB3 . 11252 1 697 . 1 1 76 76 LYS HD2 H 1 1.717 0.000 . 2 . . . . 76 K HD2 . 11252 1 698 . 1 1 76 76 LYS HD3 H 1 1.689 0.000 . 2 . . . . 76 K HD3 . 11252 1 699 . 1 1 76 76 LYS HE2 H 1 2.974 0.000 . 2 . . . . 76 K HE2 . 11252 1 700 . 1 1 76 76 LYS HE3 H 1 2.974 0.000 . 2 . . . . 76 K HE3 . 11252 1 701 . 1 1 76 76 LYS HG2 H 1 1.310 0.000 . 2 . . . . 76 K HG2 . 11252 1 702 . 1 1 76 76 LYS HG3 H 1 1.669 0.000 . 2 . . . . 76 K HG3 . 11252 1 703 . 1 1 76 76 LYS CA C 13 59.624 0.000 . 1 . . . . 76 K CA . 11252 1 704 . 1 1 76 76 LYS CB C 13 33.991 0.000 . 1 . . . . 76 K CB . 11252 1 705 . 1 1 76 76 LYS CD C 13 29.813 0.000 . 1 . . . . 76 K CD . 11252 1 706 . 1 1 76 76 LYS CE C 13 42.535 0.000 . 1 . . . . 76 K CE . 11252 1 707 . 1 1 76 76 LYS CG C 13 26.918 0.000 . 1 . . . . 76 K CG . 11252 1 708 . 1 1 76 76 LYS N N 15 117.743 0.000 . 1 . . . . 76 K N . 11252 1 709 . 1 1 77 77 LEU H H 1 8.212 0.000 . 1 . . . . 77 L H . 11252 1 710 . 1 1 77 77 LEU HA H 1 3.988 0.000 . 1 . . . . 77 L HA . 11252 1 711 . 1 1 77 77 LEU HB2 H 1 1.776 0.000 . 2 . . . . 77 L HB2 . 11252 1 712 . 1 1 77 77 LEU HB3 H 1 1.535 0.000 . 2 . . . . 77 L HB3 . 11252 1 713 . 1 1 77 77 LEU HD11 H 1 0.751 0.000 . 2 . . . . 77 L QD1 . 11252 1 714 . 1 1 77 77 LEU HD12 H 1 0.751 0.000 . 2 . . . . 77 L QD1 . 11252 1 715 . 1 1 77 77 LEU HD13 H 1 0.751 0.000 . 2 . . . . 77 L QD1 . 11252 1 716 . 1 1 77 77 LEU HD21 H 1 0.730 0.000 . 2 . . . . 77 L QD2 . 11252 1 717 . 1 1 77 77 LEU HD22 H 1 0.730 0.000 . 2 . . . . 77 L QD2 . 11252 1 718 . 1 1 77 77 LEU HD23 H 1 0.730 0.000 . 2 . . . . 77 L QD2 . 11252 1 719 . 1 1 77 77 LEU HG H 1 1.687 0.000 . 1 . . . . 77 L HG . 11252 1 720 . 1 1 77 77 LEU CA C 13 57.349 0.000 . 1 . . . . 77 L CA . 11252 1 721 . 1 1 77 77 LEU CB C 13 40.506 0.000 . 1 . . . . 77 L CB . 11252 1 722 . 1 1 77 77 LEU CD1 C 13 24.908 0.000 . 2 . . . . 77 L CD1 . 11252 1 723 . 1 1 77 77 LEU CD2 C 13 22.304 0.000 . 2 . . . . 77 L CD2 . 11252 1 724 . 1 1 77 77 LEU CG C 13 26.644 0.000 . 1 . . . . 77 L CG . 11252 1 725 . 1 1 77 77 LEU N N 15 118.197 0.000 . 1 . . . . 77 L N . 11252 1 726 . 1 1 78 78 GLU H H 1 8.172 0.000 . 1 . . . . 78 E H . 11252 1 727 . 1 1 78 78 GLU HA H 1 4.129 0.000 . 1 . . . . 78 E HA . 11252 1 728 . 1 1 78 78 GLU HB2 H 1 2.114 0.000 . 2 . . . . 78 E HB2 . 11252 1 729 . 1 1 78 78 GLU HB3 H 1 2.123 0.000 . 2 . . . . 78 E HB3 . 11252 1 730 . 1 1 78 78 GLU HG2 H 1 2.482 0.000 . 2 . . . . 78 E HG2 . 11252 1 731 . 1 1 78 78 GLU HG3 H 1 2.320 0.000 . 2 . . . . 78 E HG3 . 11252 1 732 . 1 1 78 78 GLU CA C 13 59.651 0.000 . 1 . . . . 78 E CA . 11252 1 733 . 1 1 78 78 GLU CB C 13 30.203 0.000 . 1 . . . . 78 E CB . 11252 1 734 . 1 1 78 78 GLU CG C 13 37.203 0.000 . 1 . . . . 78 E CG . 11252 1 735 . 1 1 78 78 GLU N N 15 121.206 0.000 . 1 . . . . 78 E N . 11252 1 736 . 1 1 79 79 LYS H H 1 7.580 0.000 . 1 . . . . 79 K H . 11252 1 737 . 1 1 79 79 LYS HA H 1 3.842 0.000 . 1 . . . . 79 K HA . 11252 1 738 . 1 1 79 79 LYS HB2 H 1 0.581 0.000 . 2 . . . . 79 K HB2 . 11252 1 739 . 1 1 79 79 LYS HB3 H 1 0.751 0.000 . 2 . . . . 79 K HB3 . 11252 1 740 . 1 1 79 79 LYS HD2 H 1 1.097 0.000 . 2 . . . . 79 K HD2 . 11252 1 741 . 1 1 79 79 LYS HD3 H 1 1.099 0.000 . 2 . . . . 79 K HD3 . 11252 1 742 . 1 1 79 79 LYS HE2 H 1 2.591 0.000 . 2 . . . . 79 K HE2 . 11252 1 743 . 1 1 79 79 LYS HE3 H 1 2.591 0.000 . 2 . . . . 79 K HE3 . 11252 1 744 . 1 1 79 79 LYS HG2 H 1 1.097 0.000 . 2 . . . . 79 K HG2 . 11252 1 745 . 1 1 79 79 LYS HG3 H 1 0.751 0.000 . 2 . . . . 79 K HG3 . 11252 1 746 . 1 1 79 79 LYS CA C 13 58.937 0.000 . 1 . . . . 79 K CA . 11252 1 747 . 1 1 79 79 LYS CB C 13 32.936 0.000 . 1 . . . . 79 K CB . 11252 1 748 . 1 1 79 79 LYS CD C 13 28.989 0.000 . 1 . . . . 79 K CD . 11252 1 749 . 1 1 79 79 LYS CE C 13 41.834 0.000 . 1 . . . . 79 K CE . 11252 1 750 . 1 1 79 79 LYS CG C 13 25.265 0.000 . 1 . . . . 79 K CG . 11252 1 751 . 1 1 79 79 LYS N N 15 117.792 0.000 . 1 . . . . 79 K N . 11252 1 752 . 1 1 80 80 TYR H H 1 8.059 0.000 . 1 . . . . 80 Y H . 11252 1 753 . 1 1 80 80 TYR HA H 1 5.035 0.000 . 1 . . . . 80 Y HA . 11252 1 754 . 1 1 80 80 TYR HB2 H 1 2.580 0.000 . 2 . . . . 80 Y HB2 . 11252 1 755 . 1 1 80 80 TYR HB3 H 1 3.328 0.000 . 2 . . . . 80 Y HB3 . 11252 1 756 . 1 1 80 80 TYR HD1 H 1 6.660 0.000 . 3 . . . . 80 Y HD1 . 11252 1 757 . 1 1 80 80 TYR HE1 H 1 6.019 0.000 . 3 . . . . 80 Y HE1 . 11252 1 758 . 1 1 80 80 TYR CA C 13 55.217 0.000 . 1 . . . . 80 Y CA . 11252 1 759 . 1 1 80 80 TYR CB C 13 39.953 0.000 . 1 . . . . 80 Y CB . 11252 1 760 . 1 1 80 80 TYR CD1 C 13 132.787 0.000 . 3 . . . . 80 Y CD1 . 11252 1 761 . 1 1 80 80 TYR CE1 C 13 117.613 0.000 . 3 . . . . 80 Y CE1 . 11252 1 762 . 1 1 80 80 TYR N N 15 114.541 0.000 . 1 . . . . 80 Y N . 11252 1 763 . 1 1 81 81 GLY H H 1 7.824 0.000 . 1 . . . . 81 G H . 11252 1 764 . 1 1 81 81 GLY HA2 H 1 3.615 0.000 . 2 . . . . 81 G HA2 . 11252 1 765 . 1 1 81 81 GLY HA3 H 1 4.339 0.000 . 2 . . . . 81 G HA3 . 11252 1 766 . 1 1 81 81 GLY CA C 13 48.111 0.000 . 1 . . . . 81 G CA . 11252 1 767 . 1 1 81 81 GLY N N 15 111.405 0.000 . 1 . . . . 81 G N . 11252 1 768 . 1 1 82 82 ALA H H 1 8.633 0.000 . 1 . . . . 82 A H . 11252 1 769 . 1 1 82 82 ALA HA H 1 4.000 0.000 . 1 . . . . 82 A HA . 11252 1 770 . 1 1 82 82 ALA HB1 H 1 1.408 0.000 . 1 . . . . 82 A QB . 11252 1 771 . 1 1 82 82 ALA HB2 H 1 1.408 0.000 . 1 . . . . 82 A QB . 11252 1 772 . 1 1 82 82 ALA HB3 H 1 1.408 0.000 . 1 . . . . 82 A QB . 11252 1 773 . 1 1 82 82 ALA CA C 13 56.110 0.000 . 1 . . . . 82 A CA . 11252 1 774 . 1 1 82 82 ALA CB C 13 17.581 0.000 . 1 . . . . 82 A CB . 11252 1 775 . 1 1 82 82 ALA N N 15 123.153 0.000 . 1 . . . . 82 A N . 11252 1 776 . 1 1 83 83 GLU H H 1 8.794 0.000 . 1 . . . . 83 E H . 11252 1 777 . 1 1 83 83 GLU HA H 1 3.970 0.000 . 1 . . . . 83 E HA . 11252 1 778 . 1 1 83 83 GLU HB2 H 1 2.073 0.000 . 2 . . . . 83 E HB2 . 11252 1 779 . 1 1 83 83 GLU HB3 H 1 2.090 0.000 . 2 . . . . 83 E HB3 . 11252 1 780 . 1 1 83 83 GLU HG2 H 1 2.266 0.000 . 2 . . . . 83 E HG2 . 11252 1 781 . 1 1 83 83 GLU HG3 H 1 2.107 0.000 . 2 . . . . 83 E HG3 . 11252 1 782 . 1 1 83 83 GLU CA C 13 59.707 0.000 . 1 . . . . 83 E CA . 11252 1 783 . 1 1 83 83 GLU CB C 13 29.321 0.000 . 1 . . . . 83 E CB . 11252 1 784 . 1 1 83 83 GLU CG C 13 36.060 0.000 . 1 . . . . 83 E CG . 11252 1 785 . 1 1 83 83 GLU N N 15 116.984 0.000 . 1 . . . . 83 E N . 11252 1 786 . 1 1 84 84 VAL H H 1 7.401 0.000 . 1 . . . . 84 V H . 11252 1 787 . 1 1 84 84 VAL HA H 1 3.681 0.000 . 1 . . . . 84 V HA . 11252 1 788 . 1 1 84 84 VAL HB H 1 2.078 0.000 . 1 . . . . 84 V HB . 11252 1 789 . 1 1 84 84 VAL HG11 H 1 1.027 0.000 . 2 . . . . 84 V QG1 . 11252 1 790 . 1 1 84 84 VAL HG12 H 1 1.027 0.000 . 2 . . . . 84 V QG1 . 11252 1 791 . 1 1 84 84 VAL HG13 H 1 1.027 0.000 . 2 . . . . 84 V QG1 . 11252 1 792 . 1 1 84 84 VAL HG21 H 1 0.774 0.000 . 2 . . . . 84 V QG2 . 11252 1 793 . 1 1 84 84 VAL HG22 H 1 0.774 0.000 . 2 . . . . 84 V QG2 . 11252 1 794 . 1 1 84 84 VAL HG23 H 1 0.774 0.000 . 2 . . . . 84 V QG2 . 11252 1 795 . 1 1 84 84 VAL CA C 13 66.156 0.000 . 1 . . . . 84 V CA . 11252 1 796 . 1 1 84 84 VAL CB C 13 32.508 0.000 . 1 . . . . 84 V CB . 11252 1 797 . 1 1 84 84 VAL CG1 C 13 21.782 0.000 . 2 . . . . 84 V CG1 . 11252 1 798 . 1 1 84 84 VAL CG2 C 13 20.804 0.000 . 2 . . . . 84 V CG2 . 11252 1 799 . 1 1 84 84 VAL N N 15 117.031 0.000 . 1 . . . . 84 V N . 11252 1 800 . 1 1 85 85 ILE H H 1 9.223 0.000 . 1 . . . . 85 I H . 11252 1 801 . 1 1 85 85 ILE HA H 1 3.556 0.000 . 1 . . . . 85 I HA . 11252 1 802 . 1 1 85 85 ILE HB H 1 1.960 0.000 . 1 . . . . 85 I HB . 11252 1 803 . 1 1 85 85 ILE HD11 H 1 0.708 0.000 . 1 . . . . 85 I QD1 . 11252 1 804 . 1 1 85 85 ILE HD12 H 1 0.708 0.000 . 1 . . . . 85 I QD1 . 11252 1 805 . 1 1 85 85 ILE HD13 H 1 0.708 0.000 . 1 . . . . 85 I QD1 . 11252 1 806 . 1 1 85 85 ILE HG12 H 1 0.914 0.000 . 2 . . . . 85 I HG12 . 11252 1 807 . 1 1 85 85 ILE HG13 H 1 1.570 0.000 . 2 . . . . 85 I HG13 . 11252 1 808 . 1 1 85 85 ILE HG21 H 1 0.896 0.000 . 1 . . . . 85 I QG2 . 11252 1 809 . 1 1 85 85 ILE HG22 H 1 0.896 0.000 . 1 . . . . 85 I QG2 . 11252 1 810 . 1 1 85 85 ILE HG23 H 1 0.896 0.000 . 1 . . . . 85 I QG2 . 11252 1 811 . 1 1 85 85 ILE CA C 13 65.588 0.000 . 1 . . . . 85 I CA . 11252 1 812 . 1 1 85 85 ILE CB C 13 36.752 0.000 . 1 . . . . 85 I CB . 11252 1 813 . 1 1 85 85 ILE CD1 C 13 12.488 0.000 . 1 . . . . 85 I CD1 . 11252 1 814 . 1 1 85 85 ILE CG1 C 13 30.746 0.000 . 1 . . . . 85 I CG1 . 11252 1 815 . 1 1 85 85 ILE CG2 C 13 17.595 0.000 . 1 . . . . 85 I CG2 . 11252 1 816 . 1 1 85 85 ILE N N 15 121.355 0.000 . 1 . . . . 85 I N . 11252 1 817 . 1 1 86 86 SER H H 1 7.563 0.000 . 1 . . . . 86 S H . 11252 1 818 . 1 1 86 86 SER HA H 1 4.187 0.000 . 1 . . . . 86 S HA . 11252 1 819 . 1 1 86 86 SER HB2 H 1 4.183 0.000 . 2 . . . . 86 S HB2 . 11252 1 820 . 1 1 86 86 SER HB3 H 1 4.180 0.000 . 2 . . . . 86 S HB3 . 11252 1 821 . 1 1 86 86 SER CA C 13 61.847 0.000 . 1 . . . . 86 S CA . 11252 1 822 . 1 1 86 86 SER CB C 13 62.784 0.000 . 1 . . . . 86 S CB . 11252 1 823 . 1 1 86 86 SER N N 15 113.678 0.000 . 1 . . . . 86 S N . 11252 1 824 . 1 1 87 87 VAL H H 1 6.994 0.000 . 1 . . . . 87 V H . 11252 1 825 . 1 1 87 87 VAL HA H 1 3.740 0.000 . 1 . . . . 87 V HA . 11252 1 826 . 1 1 87 87 VAL HB H 1 2.295 0.000 . 1 . . . . 87 V HB . 11252 1 827 . 1 1 87 87 VAL HG11 H 1 1.082 0.000 . 2 . . . . 87 V QG1 . 11252 1 828 . 1 1 87 87 VAL HG12 H 1 1.082 0.000 . 2 . . . . 87 V QG1 . 11252 1 829 . 1 1 87 87 VAL HG13 H 1 1.082 0.000 . 2 . . . . 87 V QG1 . 11252 1 830 . 1 1 87 87 VAL HG21 H 1 1.087 0.000 . 2 . . . . 87 V QG2 . 11252 1 831 . 1 1 87 87 VAL HG22 H 1 1.087 0.000 . 2 . . . . 87 V QG2 . 11252 1 832 . 1 1 87 87 VAL HG23 H 1 1.087 0.000 . 2 . . . . 87 V QG2 . 11252 1 833 . 1 1 87 87 VAL CA C 13 66.221 0.000 . 1 . . . . 87 V CA . 11252 1 834 . 1 1 87 87 VAL CB C 13 32.039 0.000 . 1 . . . . 87 V CB . 11252 1 835 . 1 1 87 87 VAL CG1 C 13 23.163 0.000 . 2 . . . . 87 V CG1 . 11252 1 836 . 1 1 87 87 VAL CG2 C 13 23.596 0.000 . 2 . . . . 87 V CG2 . 11252 1 837 . 1 1 87 87 VAL N N 15 119.715 0.000 . 1 . . . . 87 V N . 11252 1 838 . 1 1 88 88 LEU H H 1 7.710 0.000 . 1 . . . . 88 L H . 11252 1 839 . 1 1 88 88 LEU HA H 1 3.825 0.000 . 1 . . . . 88 L HA . 11252 1 840 . 1 1 88 88 LEU HB2 H 1 1.229 0.000 . 2 . . . . 88 L HB2 . 11252 1 841 . 1 1 88 88 LEU HB3 H 1 1.605 0.000 . 2 . . . . 88 L HB3 . 11252 1 842 . 1 1 88 88 LEU HD11 H 1 0.663 0.000 . 2 . . . . 88 L QD1 . 11252 1 843 . 1 1 88 88 LEU HD12 H 1 0.663 0.000 . 2 . . . . 88 L QD1 . 11252 1 844 . 1 1 88 88 LEU HD13 H 1 0.663 0.000 . 2 . . . . 88 L QD1 . 11252 1 845 . 1 1 88 88 LEU HD21 H 1 0.828 0.000 . 2 . . . . 88 L QD2 . 11252 1 846 . 1 1 88 88 LEU HD22 H 1 0.828 0.000 . 2 . . . . 88 L QD2 . 11252 1 847 . 1 1 88 88 LEU HD23 H 1 0.828 0.000 . 2 . . . . 88 L QD2 . 11252 1 848 . 1 1 88 88 LEU HG H 1 1.443 0.000 . 1 . . . . 88 L HG . 11252 1 849 . 1 1 88 88 LEU CA C 13 58.998 0.000 . 1 . . . . 88 L CA . 11252 1 850 . 1 1 88 88 LEU CB C 13 41.821 0.000 . 1 . . . . 88 L CB . 11252 1 851 . 1 1 88 88 LEU CD1 C 13 23.825 0.000 . 2 . . . . 88 L CD1 . 11252 1 852 . 1 1 88 88 LEU CD2 C 13 25.451 0.000 . 2 . . . . 88 L CD2 . 11252 1 853 . 1 1 88 88 LEU CG C 13 28.311 0.000 . 1 . . . . 88 L CG . 11252 1 854 . 1 1 88 88 LEU N N 15 119.003 0.000 . 1 . . . . 88 L N . 11252 1 855 . 1 1 89 89 GLN H H 1 8.964 0.000 . 1 . . . . 89 Q H . 11252 1 856 . 1 1 89 89 GLN HA H 1 3.963 0.000 . 1 . . . . 89 Q HA . 11252 1 857 . 1 1 89 89 GLN HB2 H 1 2.232 0.000 . 2 . . . . 89 Q HB2 . 11252 1 858 . 1 1 89 89 GLN HB3 H 1 2.013 0.000 . 2 . . . . 89 Q HB3 . 11252 1 859 . 1 1 89 89 GLN HG2 H 1 2.460 0.000 . 2 . . . . 89 Q HG2 . 11252 1 860 . 1 1 89 89 GLN HG3 H 1 2.460 0.000 . 2 . . . . 89 Q HG3 . 11252 1 861 . 1 1 89 89 GLN CA C 13 58.546 0.000 . 1 . . . . 89 Q CA . 11252 1 862 . 1 1 89 89 GLN CB C 13 28.223 0.000 . 1 . . . . 89 Q CB . 11252 1 863 . 1 1 89 89 GLN CG C 13 33.759 0.000 . 1 . . . . 89 Q CG . 11252 1 864 . 1 1 89 89 GLN N N 15 118.818 0.000 . 1 . . . . 89 Q N . 11252 1 865 . 1 1 90 90 LYS H H 1 7.434 0.000 . 1 . . . . 90 K H . 11252 1 866 . 1 1 90 90 LYS HA H 1 4.008 0.000 . 1 . . . . 90 K HA . 11252 1 867 . 1 1 90 90 LYS HB2 H 1 1.534 0.000 . 2 . . . . 90 K HB2 . 11252 1 868 . 1 1 90 90 LYS HB3 H 1 1.668 0.000 . 2 . . . . 90 K HB3 . 11252 1 869 . 1 1 90 90 LYS HD2 H 1 1.657 0.000 . 2 . . . . 90 K HD2 . 11252 1 870 . 1 1 90 90 LYS HD3 H 1 1.683 0.000 . 2 . . . . 90 K HD3 . 11252 1 871 . 1 1 90 90 LYS HE2 H 1 2.892 0.000 . 2 . . . . 90 K HE2 . 11252 1 872 . 1 1 90 90 LYS HE3 H 1 2.892 0.000 . 2 . . . . 90 K HE3 . 11252 1 873 . 1 1 90 90 LYS HG2 H 1 1.535 0.000 . 2 . . . . 90 K HG2 . 11252 1 874 . 1 1 90 90 LYS HG3 H 1 1.183 0.000 . 2 . . . . 90 K HG3 . 11252 1 875 . 1 1 90 90 LYS CA C 13 58.263 0.000 . 1 . . . . 90 K CA . 11252 1 876 . 1 1 90 90 LYS CB C 13 31.408 0.000 . 1 . . . . 90 K CB . 11252 1 877 . 1 1 90 90 LYS CD C 13 29.480 0.000 . 1 . . . . 90 K CD . 11252 1 878 . 1 1 90 90 LYS CE C 13 41.810 0.000 . 1 . . . . 90 K CE . 11252 1 879 . 1 1 90 90 LYS CG C 13 24.648 0.000 . 1 . . . . 90 K CG . 11252 1 880 . 1 1 90 90 LYS N N 15 116.966 0.000 . 1 . . . . 90 K N . 11252 1 881 . 1 1 91 91 TYR H H 1 7.651 0.000 . 1 . . . . 91 Y H . 11252 1 882 . 1 1 91 91 TYR HA H 1 4.647 0.000 . 1 . . . . 91 Y HA . 11252 1 883 . 1 1 91 91 TYR HB2 H 1 3.546 0.000 . 2 . . . . 91 Y HB2 . 11252 1 884 . 1 1 91 91 TYR HB3 H 1 2.691 0.000 . 2 . . . . 91 Y HB3 . 11252 1 885 . 1 1 91 91 TYR HD1 H 1 7.205 0.000 . 3 . . . . 91 Y HD1 . 11252 1 886 . 1 1 91 91 TYR HE1 H 1 6.751 0.000 . 3 . . . . 91 Y HE1 . 11252 1 887 . 1 1 91 91 TYR CA C 13 58.879 0.000 . 1 . . . . 91 Y CA . 11252 1 888 . 1 1 91 91 TYR CB C 13 39.821 0.000 . 1 . . . . 91 Y CB . 11252 1 889 . 1 1 91 91 TYR CD1 C 13 133.727 0.000 . 3 . . . . 91 Y CD1 . 11252 1 890 . 1 1 91 91 TYR CE1 C 13 117.697 0.000 . 3 . . . . 91 Y CE1 . 11252 1 891 . 1 1 91 91 TYR N N 15 116.666 0.000 . 1 . . . . 91 Y N . 11252 1 892 . 1 1 92 92 SER H H 1 7.361 0.000 . 1 . . . . 92 S H . 11252 1 893 . 1 1 92 92 SER HA H 1 4.486 0.000 . 1 . . . . 92 S HA . 11252 1 894 . 1 1 92 92 SER HB2 H 1 3.953 0.000 . 2 . . . . 92 S HB2 . 11252 1 895 . 1 1 92 92 SER HB3 H 1 3.953 0.000 . 2 . . . . 92 S HB3 . 11252 1 896 . 1 1 92 92 SER CA C 13 61.005 0.000 . 1 . . . . 92 S CA . 11252 1 897 . 1 1 92 92 SER CB C 13 63.458 0.000 . 1 . . . . 92 S CB . 11252 1 898 . 1 1 92 92 SER N N 15 115.255 0.000 . 1 . . . . 92 S N . 11252 1 899 . 1 1 93 93 GLU H H 1 8.454 0.000 . 1 . . . . 93 E H . 11252 1 900 . 1 1 93 93 GLU HA H 1 4.028 0.000 . 1 . . . . 93 E HA . 11252 1 901 . 1 1 93 93 GLU HB2 H 1 1.314 0.000 . 2 . . . . 93 E HB2 . 11252 1 902 . 1 1 93 93 GLU HB3 H 1 1.438 0.000 . 2 . . . . 93 E HB3 . 11252 1 903 . 1 1 93 93 GLU HG2 H 1 1.696 0.000 . 2 . . . . 93 E HG2 . 11252 1 904 . 1 1 93 93 GLU HG3 H 1 1.836 0.000 . 2 . . . . 93 E HG3 . 11252 1 905 . 1 1 93 93 GLU CA C 13 57.633 0.000 . 1 . . . . 93 E CA . 11252 1 906 . 1 1 93 93 GLU CB C 13 28.794 0.000 . 1 . . . . 93 E CB . 11252 1 907 . 1 1 93 93 GLU CG C 13 36.097 0.000 . 1 . . . . 93 E CG . 11252 1 908 . 1 1 93 93 GLU N N 15 121.025 0.000 . 1 . . . . 93 E N . 11252 1 909 . 1 1 94 94 TRP H H 1 8.062 0.000 . 1 . . . . 94 W H . 11252 1 910 . 1 1 94 94 TRP HA H 1 4.623 0.000 . 1 . . . . 94 W HA . 11252 1 911 . 1 1 94 94 TRP HB2 H 1 3.463 0.000 . 2 . . . . 94 W HB2 . 11252 1 912 . 1 1 94 94 TRP HB3 H 1 3.208 0.000 . 2 . . . . 94 W HB3 . 11252 1 913 . 1 1 94 94 TRP HD1 H 1 7.252 0.000 . 1 . . . . 94 W HD1 . 11252 1 914 . 1 1 94 94 TRP CA C 13 57.711 0.000 . 1 . . . . 94 W CA . 11252 1 915 . 1 1 94 94 TRP CB C 13 29.925 0.000 . 1 . . . . 94 W CB . 11252 1 916 . 1 1 94 94 TRP CD1 C 13 125.880 0.000 . 1 . . . . 94 W CD1 . 11252 1 917 . 1 1 94 94 TRP N N 15 118.136 0.000 . 1 . . . . 94 W N . 11252 1 918 . 1 1 95 95 THR H H 1 7.549 0.000 . 1 . . . . 95 T H . 11252 1 919 . 1 1 95 95 THR HA H 1 3.942 0.000 . 1 . . . . 95 T HA . 11252 1 920 . 1 1 95 95 THR HG21 H 1 1.219 0.000 . 1 . . . . 95 T QG2 . 11252 1 921 . 1 1 95 95 THR HG22 H 1 1.219 0.000 . 1 . . . . 95 T QG2 . 11252 1 922 . 1 1 95 95 THR HG23 H 1 1.219 0.000 . 1 . . . . 95 T QG2 . 11252 1 923 . 1 1 95 95 THR CA C 13 65.434 0.000 . 1 . . . . 95 T CA . 11252 1 924 . 1 1 95 95 THR CB C 13 69.914 0.000 . 1 . . . . 95 T CB . 11252 1 925 . 1 1 95 95 THR CG2 C 13 21.406 0.000 . 1 . . . . 95 T CG2 . 11252 1 926 . 1 1 95 95 THR N N 15 116.256 0.000 . 1 . . . . 95 T N . 11252 1 927 . 1 1 96 96 SER H H 1 8.333 0.000 . 1 . . . . 96 S H . 11252 1 928 . 1 1 96 96 SER HA H 1 4.644 0.000 . 1 . . . . 96 S HA . 11252 1 929 . 1 1 96 96 SER HB2 H 1 3.810 0.000 . 2 . . . . 96 S HB2 . 11252 1 930 . 1 1 96 96 SER HB3 H 1 3.688 0.000 . 2 . . . . 96 S HB3 . 11252 1 931 . 1 1 96 96 SER CA C 13 56.045 0.000 . 1 . . . . 96 S CA . 11252 1 932 . 1 1 96 96 SER CB C 13 63.182 0.000 . 1 . . . . 96 S CB . 11252 1 933 . 1 1 96 96 SER N N 15 116.875 0.000 . 1 . . . . 96 S N . 11252 1 934 . 1 1 97 97 PRO HA H 1 4.354 0.000 . 1 . . . . 97 P HA . 11252 1 935 . 1 1 97 97 PRO HB2 H 1 1.930 0.000 . 2 . . . . 97 P HB2 . 11252 1 936 . 1 1 97 97 PRO HB3 H 1 2.232 0.000 . 2 . . . . 97 P HB3 . 11252 1 937 . 1 1 97 97 PRO HD2 H 1 3.669 0.000 . 2 . . . . 97 P HD2 . 11252 1 938 . 1 1 97 97 PRO HD3 H 1 3.785 0.000 . 2 . . . . 97 P HD3 . 11252 1 939 . 1 1 97 97 PRO HG2 H 1 1.990 0.000 . 2 . . . . 97 P HG2 . 11252 1 940 . 1 1 97 97 PRO HG3 H 1 2.031 0.000 . 2 . . . . 97 P HG3 . 11252 1 941 . 1 1 97 97 PRO CA C 13 62.971 0.000 . 1 . . . . 97 P CA . 11252 1 942 . 1 1 97 97 PRO CB C 13 32.077 0.000 . 1 . . . . 97 P CB . 11252 1 943 . 1 1 97 97 PRO CD C 13 50.425 0.000 . 1 . . . . 97 P CD . 11252 1 944 . 1 1 97 97 PRO CG C 13 27.304 0.000 . 1 . . . . 97 P CG . 11252 1 945 . 1 1 98 98 ALA H H 1 8.367 0.000 . 1 . . . . 98 A H . 11252 1 946 . 1 1 98 98 ALA HA H 1 4.255 0.000 . 1 . . . . 98 A HA . 11252 1 947 . 1 1 98 98 ALA HB1 H 1 1.348 0.000 . 1 . . . . 98 A QB . 11252 1 948 . 1 1 98 98 ALA HB2 H 1 1.348 0.000 . 1 . . . . 98 A QB . 11252 1 949 . 1 1 98 98 ALA HB3 H 1 1.348 0.000 . 1 . . . . 98 A QB . 11252 1 950 . 1 1 98 98 ALA CA C 13 52.305 0.000 . 1 . . . . 98 A CA . 11252 1 951 . 1 1 98 98 ALA CB C 13 19.331 0.000 . 1 . . . . 98 A CB . 11252 1 952 . 1 1 98 98 ALA N N 15 124.722 0.000 . 1 . . . . 98 A N . 11252 1 953 . 1 1 99 99 GLU H H 1 8.395 0.000 . 1 . . . . 99 E H . 11252 1 954 . 1 1 99 99 GLU HA H 1 4.245 0.000 . 1 . . . . 99 E HA . 11252 1 955 . 1 1 99 99 GLU HB2 H 1 2.040 0.000 . 2 . . . . 99 E HB2 . 11252 1 956 . 1 1 99 99 GLU HB3 H 1 1.953 0.000 . 2 . . . . 99 E HB3 . 11252 1 957 . 1 1 99 99 GLU HG2 H 1 2.220 0.000 . 2 . . . . 99 E HG2 . 11252 1 958 . 1 1 99 99 GLU HG3 H 1 2.220 0.000 . 2 . . . . 99 E HG3 . 11252 1 959 . 1 1 99 99 GLU CA C 13 56.423 0.000 . 1 . . . . 99 E CA . 11252 1 960 . 1 1 99 99 GLU CB C 13 30.475 0.000 . 1 . . . . 99 E CB . 11252 1 961 . 1 1 99 99 GLU CG C 13 36.232 0.000 . 1 . . . . 99 E CG . 11252 1 962 . 1 1 99 99 GLU N N 15 120.200 0.000 . 1 . . . . 99 E N . 11252 1 963 . 1 1 100 100 ASP H H 1 8.330 0.000 . 1 . . . . 100 D H . 11252 1 964 . 1 1 100 100 ASP HA H 1 4.593 0.000 . 1 . . . . 100 D HA . 11252 1 965 . 1 1 100 100 ASP HB2 H 1 2.570 0.000 . 2 . . . . 100 D HB2 . 11252 1 966 . 1 1 100 100 ASP HB3 H 1 2.679 0.000 . 2 . . . . 100 D HB3 . 11252 1 967 . 1 1 100 100 ASP CA C 13 54.224 0.000 . 1 . . . . 100 D CA . 11252 1 968 . 1 1 100 100 ASP CB C 13 41.182 0.000 . 1 . . . . 100 D CB . 11252 1 969 . 1 1 100 100 ASP N N 15 121.616 0.000 . 1 . . . . 100 D N . 11252 1 970 . 1 1 101 101 SER H H 1 7.789 0.000 . 1 . . . . 101 S H . 11252 1 971 . 1 1 101 101 SER CA C 13 59.950 0.000 . 1 . . . . 101 S CA . 11252 1 972 . 1 1 101 101 SER CB C 13 64.854 0.000 . 1 . . . . 101 S CB . 11252 1 973 . 1 1 101 101 SER N N 15 121.085 0.000 . 1 . . . . 101 S N . 11252 1 stop_ save_