data_10277 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10277 _Entry.Title ; Solution structure of the Chromo domain of chromobox homolog 2 from human ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-15 _Entry.Accession_date 2008-12-15 _Entry.Last_release_date 2009-12-14 _Entry.Original_release_date 2009-12-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 H. Li . . . 10277 2 K. Saito . . . 10277 3 S. Koshiba . . . 10277 4 M. Inoue . . . 10277 5 T. Kigawa . . . 10277 6 S. Yokoyama . . . 10277 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10277 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10277 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 308 10277 '15N chemical shifts' 70 10277 '1H chemical shifts' 492 10277 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 . . 2009-12-14 2008-12-15 original author . 10277 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D9U 'BMRB Entry Tracking System' 10277 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10277 _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 'Solution structure of the Chromo domain of chromobox homolog 2 from human' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _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 H. Li . . . 10277 1 2 K. Saito . . . 10277 1 3 S. Koshiba . . . 10277 1 4 M. Inoue . . . 10277 1 5 T. Kigawa . . . 10277 1 6 S. Yokoyama . . . 10277 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10277 _Assembly.ID 1 _Assembly.Name 'Chromobox protein homolog 2 (isoform 2)' _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 'Chromo domain' 1 $entity_1 . . yes native no no . . . 10277 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2D9U . . . . . . 10277 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10277 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Chromo domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGEQVFAAECILSKR LRKGKLEYLVKWRGWSSKHN SWEPEENILDPRLLLAFQKK EHEKEVQNSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 PDB 2D9U . "Solution Structure Of The Chromo Domain Of Chromobox Homolog 2 From Human" . . . . . 100.00 74 100.00 100.00 3.35e-44 . . . . 10277 1 2 no PDB 3H91 . "Crystal Structure Of The Complex Of Human Chromobox Homolog 2 (Cbx2) And H3k27 Peptide" . . . . . 72.97 54 100.00 100.00 8.15e-30 . . . . 10277 1 3 no DBJ BAE34242 . "unnamed protein product [Mus musculus]" . . . . . 86.49 519 98.44 98.44 8.65e-36 . . . . 10277 1 4 no DBJ BAG73012 . "chromobox homolog 2 [synthetic construct]" . . . . . 86.49 532 98.44 98.44 4.83e-36 . . . . 10277 1 5 no DBJ BAK20222 . "chromobox homolog 2 [Tokudaia osimensis]" . . . . . 86.49 517 98.44 98.44 7.05e-36 . . . . 10277 1 6 no EMBL CAA44398 . "modifier 3 (M33) [Mus musculus]" . . . . . 86.49 519 98.44 98.44 8.48e-36 . . . . 10277 1 7 no EMBL CAA73723 . "M33 polycomb-like protein [Mus musculus]" . . . . . 86.49 520 98.44 98.44 1.05e-35 . . . . 10277 1 8 no GB AAH04252 . "Chromobox homolog 2 (Pc class homolog, Drosophila) [Homo sapiens]" . . . . . 86.49 211 98.44 98.44 2.11e-35 . . . . 10277 1 9 no GB AAH35199 . "Chromobox homolog 2 (Drosophila Pc class) [Mus musculus]" . . . . . 86.49 519 98.44 98.44 8.48e-36 . . . . 10277 1 10 no GB AAI19760 . "Chromobox homolog 2 (Pc class homolog, Drosophila) [Homo sapiens]" . . . . . 86.49 211 98.44 98.44 2.11e-35 . . . . 10277 1 11 no GB AAI19761 . "Chromobox homolog 2 (Pc class homolog, Drosophila) [Homo sapiens]" . . . . . 86.49 211 98.44 98.44 2.11e-35 . . . . 10277 1 12 no GB AAI56119 . "Chromobox homolog 2 (Pc class homolog, Drosophila), partial [synthetic construct]" . . . . . 86.49 532 98.44 98.44 4.83e-36 . . . . 10277 1 13 no REF NP_001100541 . "chromobox protein homolog 2 [Rattus norvegicus]" . . . . . 86.49 523 98.44 98.44 7.80e-36 . . . . 10277 1 14 no REF NP_001192522 . "chromobox protein homolog 2 [Bos taurus]" . . . . . 86.49 530 98.44 98.44 9.65e-36 . . . . 10277 1 15 no REF NP_005180 . "chromobox protein homolog 2 isoform 1 [Homo sapiens]" . . . . . 86.49 532 98.44 98.44 4.83e-36 . . . . 10277 1 16 no REF NP_031649 . "chromobox protein homolog 2 [Mus musculus]" . . . . . 86.49 519 98.44 98.44 8.48e-36 . . . . 10277 1 17 no REF NP_116036 . "chromobox protein homolog 2 isoform 2 [Homo sapiens]" . . . . . 86.49 211 98.44 98.44 2.11e-35 . . . . 10277 1 18 no SP P30658 . "RecName: Full=Chromobox protein homolog 2; AltName: Full=M33; AltName: Full=Modifier 3 protein" . . . . . 86.49 519 98.44 98.44 8.48e-36 . . . . 10277 1 19 no SP Q14781 . "RecName: Full=Chromobox protein homolog 2" . . . . . 86.49 532 98.44 98.44 4.83e-36 . . . . 10277 1 20 no TPG DAA18115 . "TPA: chromobox homolog 2 [Bos taurus]" . . . . . 86.49 530 98.44 98.44 9.65e-36 . . . . 10277 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Chromo domain' . 10277 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 . 10277 1 2 . SER . 10277 1 3 . SER . 10277 1 4 . GLY . 10277 1 5 . SER . 10277 1 6 . SER . 10277 1 7 . GLY . 10277 1 8 . GLU . 10277 1 9 . GLN . 10277 1 10 . VAL . 10277 1 11 . PHE . 10277 1 12 . ALA . 10277 1 13 . ALA . 10277 1 14 . GLU . 10277 1 15 . CYS . 10277 1 16 . ILE . 10277 1 17 . LEU . 10277 1 18 . SER . 10277 1 19 . LYS . 10277 1 20 . ARG . 10277 1 21 . LEU . 10277 1 22 . ARG . 10277 1 23 . LYS . 10277 1 24 . GLY . 10277 1 25 . LYS . 10277 1 26 . LEU . 10277 1 27 . GLU . 10277 1 28 . TYR . 10277 1 29 . LEU . 10277 1 30 . VAL . 10277 1 31 . LYS . 10277 1 32 . TRP . 10277 1 33 . ARG . 10277 1 34 . GLY . 10277 1 35 . TRP . 10277 1 36 . SER . 10277 1 37 . SER . 10277 1 38 . LYS . 10277 1 39 . HIS . 10277 1 40 . ASN . 10277 1 41 . SER . 10277 1 42 . TRP . 10277 1 43 . GLU . 10277 1 44 . PRO . 10277 1 45 . GLU . 10277 1 46 . GLU . 10277 1 47 . ASN . 10277 1 48 . ILE . 10277 1 49 . LEU . 10277 1 50 . ASP . 10277 1 51 . PRO . 10277 1 52 . ARG . 10277 1 53 . LEU . 10277 1 54 . LEU . 10277 1 55 . LEU . 10277 1 56 . ALA . 10277 1 57 . PHE . 10277 1 58 . GLN . 10277 1 59 . LYS . 10277 1 60 . LYS . 10277 1 61 . GLU . 10277 1 62 . HIS . 10277 1 63 . GLU . 10277 1 64 . LYS . 10277 1 65 . GLU . 10277 1 66 . VAL . 10277 1 67 . GLN . 10277 1 68 . ASN . 10277 1 69 . SER . 10277 1 70 . GLY . 10277 1 71 . PRO . 10277 1 72 . SER . 10277 1 73 . SER . 10277 1 74 . GLY . 10277 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 10277 1 . SER 2 2 10277 1 . SER 3 3 10277 1 . GLY 4 4 10277 1 . SER 5 5 10277 1 . SER 6 6 10277 1 . GLY 7 7 10277 1 . GLU 8 8 10277 1 . GLN 9 9 10277 1 . VAL 10 10 10277 1 . PHE 11 11 10277 1 . ALA 12 12 10277 1 . ALA 13 13 10277 1 . GLU 14 14 10277 1 . CYS 15 15 10277 1 . ILE 16 16 10277 1 . LEU 17 17 10277 1 . SER 18 18 10277 1 . LYS 19 19 10277 1 . ARG 20 20 10277 1 . LEU 21 21 10277 1 . ARG 22 22 10277 1 . LYS 23 23 10277 1 . GLY 24 24 10277 1 . LYS 25 25 10277 1 . LEU 26 26 10277 1 . GLU 27 27 10277 1 . TYR 28 28 10277 1 . LEU 29 29 10277 1 . VAL 30 30 10277 1 . LYS 31 31 10277 1 . TRP 32 32 10277 1 . ARG 33 33 10277 1 . GLY 34 34 10277 1 . TRP 35 35 10277 1 . SER 36 36 10277 1 . SER 37 37 10277 1 . LYS 38 38 10277 1 . HIS 39 39 10277 1 . ASN 40 40 10277 1 . SER 41 41 10277 1 . TRP 42 42 10277 1 . GLU 43 43 10277 1 . PRO 44 44 10277 1 . GLU 45 45 10277 1 . GLU 46 46 10277 1 . ASN 47 47 10277 1 . ILE 48 48 10277 1 . LEU 49 49 10277 1 . ASP 50 50 10277 1 . PRO 51 51 10277 1 . ARG 52 52 10277 1 . LEU 53 53 10277 1 . LEU 54 54 10277 1 . LEU 55 55 10277 1 . ALA 56 56 10277 1 . PHE 57 57 10277 1 . GLN 58 58 10277 1 . LYS 59 59 10277 1 . LYS 60 60 10277 1 . GLU 61 61 10277 1 . HIS 62 62 10277 1 . GLU 63 63 10277 1 . LYS 64 64 10277 1 . GLU 65 65 10277 1 . VAL 66 66 10277 1 . GLN 67 67 10277 1 . ASN 68 68 10277 1 . SER 69 69 10277 1 . GLY 70 70 10277 1 . PRO 71 71 10277 1 . SER 72 72 10277 1 . SER 73 73 10277 1 . GLY 74 74 10277 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 10277 _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_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10277 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 10277 _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_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P050613-29 . . . . . . 10277 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10277 _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 'chromo domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.11 . . mM . . . . 10277 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10277 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10277 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10277 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10277 1 6 H2O . . . . . . solvent 90 . . % . . . . 10277 1 7 D2O . . . . . . solvent 10 . . % . . . . 10277 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10277 _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' 120 0.1 mM 10277 1 pH 7.0 0.05 pH 10277 1 pressure 1 0.001 atm 10277 1 temperature 298 0.1 K 10277 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10277 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10277 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10277 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10277 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10277 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10277 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10277 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10277 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10277 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10277 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10277 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10277 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10277 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10277 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10277 5 'structure solution' 10277 5 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 10277 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 10277 _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 . 800 . . . 10277 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 10277 _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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10277 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10277 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10277 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 10277 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10277 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10277 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10277 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10277 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10277 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 6 6 SER HA H 1 4.501 0.030 . 1 . . . . 6 SER HA . 10277 1 2 . 1 1 6 6 SER HB2 H 1 3.924 0.030 . 1 . . . . 6 SER HB2 . 10277 1 3 . 1 1 6 6 SER HB3 H 1 3.924 0.030 . 1 . . . . 6 SER HB3 . 10277 1 4 . 1 1 6 6 SER C C 13 175.089 0.300 . 1 . . . . 6 SER C . 10277 1 5 . 1 1 6 6 SER CA C 13 58.675 0.300 . 1 . . . . 6 SER CA . 10277 1 6 . 1 1 6 6 SER CB C 13 63.909 0.300 . 1 . . . . 6 SER CB . 10277 1 7 . 1 1 7 7 GLY H H 1 8.374 0.030 . 1 . . . . 7 GLY H . 10277 1 8 . 1 1 7 7 GLY HA2 H 1 3.966 0.030 . 1 . . . . 7 GLY HA2 . 10277 1 9 . 1 1 7 7 GLY HA3 H 1 3.966 0.030 . 1 . . . . 7 GLY HA3 . 10277 1 10 . 1 1 7 7 GLY C C 13 174.147 0.300 . 1 . . . . 7 GLY C . 10277 1 11 . 1 1 7 7 GLY CA C 13 45.359 0.300 . 1 . . . . 7 GLY CA . 10277 1 12 . 1 1 7 7 GLY N N 15 110.638 0.300 . 1 . . . . 7 GLY N . 10277 1 13 . 1 1 8 8 GLU H H 1 8.255 0.030 . 1 . . . . 8 GLU H . 10277 1 14 . 1 1 8 8 GLU HA H 1 4.273 0.030 . 1 . . . . 8 GLU HA . 10277 1 15 . 1 1 8 8 GLU HB2 H 1 1.905 0.030 . 2 . . . . 8 GLU HB2 . 10277 1 16 . 1 1 8 8 GLU HB3 H 1 2.035 0.030 . 2 . . . . 8 GLU HB3 . 10277 1 17 . 1 1 8 8 GLU HG2 H 1 2.259 0.030 . 1 . . . . 8 GLU HG2 . 10277 1 18 . 1 1 8 8 GLU HG3 H 1 2.259 0.030 . 1 . . . . 8 GLU HG3 . 10277 1 19 . 1 1 8 8 GLU C C 13 176.471 0.300 . 1 . . . . 8 GLU C . 10277 1 20 . 1 1 8 8 GLU CA C 13 56.582 0.300 . 1 . . . . 8 GLU CA . 10277 1 21 . 1 1 8 8 GLU CB C 13 30.299 0.300 . 1 . . . . 8 GLU CB . 10277 1 22 . 1 1 8 8 GLU CG C 13 36.333 0.300 . 1 . . . . 8 GLU CG . 10277 1 23 . 1 1 8 8 GLU N N 15 120.542 0.300 . 1 . . . . 8 GLU N . 10277 1 24 . 1 1 9 9 GLN H H 1 8.397 0.030 . 1 . . . . 9 GLN H . 10277 1 25 . 1 1 9 9 GLN HA H 1 4.332 0.030 . 1 . . . . 9 GLN HA . 10277 1 26 . 1 1 9 9 GLN HB2 H 1 1.985 0.030 . 2 . . . . 9 GLN HB2 . 10277 1 27 . 1 1 9 9 GLN HB3 H 1 1.936 0.030 . 2 . . . . 9 GLN HB3 . 10277 1 28 . 1 1 9 9 GLN HE21 H 1 6.790 0.030 . 2 . . . . 9 GLN HE21 . 10277 1 29 . 1 1 9 9 GLN HE22 H 1 7.396 0.030 . 2 . . . . 9 GLN HE22 . 10277 1 30 . 1 1 9 9 GLN HG2 H 1 2.284 0.030 . 1 . . . . 9 GLN HG2 . 10277 1 31 . 1 1 9 9 GLN HG3 H 1 2.284 0.030 . 1 . . . . 9 GLN HG3 . 10277 1 32 . 1 1 9 9 GLN C C 13 175.365 0.300 . 1 . . . . 9 GLN C . 10277 1 33 . 1 1 9 9 GLN CA C 13 55.668 0.300 . 1 . . . . 9 GLN CA . 10277 1 34 . 1 1 9 9 GLN CB C 13 29.560 0.300 . 1 . . . . 9 GLN CB . 10277 1 35 . 1 1 9 9 GLN CG C 13 34.031 0.300 . 1 . . . . 9 GLN CG . 10277 1 36 . 1 1 9 9 GLN N N 15 121.410 0.300 . 1 . . . . 9 GLN N . 10277 1 37 . 1 1 9 9 GLN NE2 N 15 112.077 0.300 . 1 . . . . 9 GLN NE2 . 10277 1 38 . 1 1 10 10 VAL H H 1 8.104 0.030 . 1 . . . . 10 VAL H . 10277 1 39 . 1 1 10 10 VAL HA H 1 4.054 0.030 . 1 . . . . 10 VAL HA . 10277 1 40 . 1 1 10 10 VAL HB H 1 1.956 0.030 . 1 . . . . 10 VAL HB . 10277 1 41 . 1 1 10 10 VAL HG11 H 1 0.825 0.030 . 1 . . . . 10 VAL HG1 . 10277 1 42 . 1 1 10 10 VAL HG12 H 1 0.825 0.030 . 1 . . . . 10 VAL HG1 . 10277 1 43 . 1 1 10 10 VAL HG13 H 1 0.825 0.030 . 1 . . . . 10 VAL HG1 . 10277 1 44 . 1 1 10 10 VAL HG21 H 1 0.855 0.030 . 1 . . . . 10 VAL HG2 . 10277 1 45 . 1 1 10 10 VAL HG22 H 1 0.855 0.030 . 1 . . . . 10 VAL HG2 . 10277 1 46 . 1 1 10 10 VAL HG23 H 1 0.855 0.030 . 1 . . . . 10 VAL HG2 . 10277 1 47 . 1 1 10 10 VAL C C 13 175.736 0.300 . 1 . . . . 10 VAL C . 10277 1 48 . 1 1 10 10 VAL CA C 13 62.334 0.300 . 1 . . . . 10 VAL CA . 10277 1 49 . 1 1 10 10 VAL CB C 13 33.136 0.300 . 1 . . . . 10 VAL CB . 10277 1 50 . 1 1 10 10 VAL CG1 C 13 21.115 0.300 . 2 . . . . 10 VAL CG1 . 10277 1 51 . 1 1 10 10 VAL CG2 C 13 20.610 0.300 . 2 . . . . 10 VAL CG2 . 10277 1 52 . 1 1 10 10 VAL N N 15 121.590 0.300 . 1 . . . . 10 VAL N . 10277 1 53 . 1 1 11 11 PHE H H 1 8.491 0.030 . 1 . . . . 11 PHE H . 10277 1 54 . 1 1 11 11 PHE HA H 1 4.696 0.030 . 1 . . . . 11 PHE HA . 10277 1 55 . 1 1 11 11 PHE HB2 H 1 2.490 0.030 . 1 . . . . 11 PHE HB2 . 10277 1 56 . 1 1 11 11 PHE HB3 H 1 2.490 0.030 . 1 . . . . 11 PHE HB3 . 10277 1 57 . 1 1 11 11 PHE HD1 H 1 6.626 0.030 . 1 . . . . 11 PHE HD1 . 10277 1 58 . 1 1 11 11 PHE HD2 H 1 6.626 0.030 . 1 . . . . 11 PHE HD2 . 10277 1 59 . 1 1 11 11 PHE HE1 H 1 6.533 0.030 . 1 . . . . 11 PHE HE1 . 10277 1 60 . 1 1 11 11 PHE HE2 H 1 6.533 0.030 . 1 . . . . 11 PHE HE2 . 10277 1 61 . 1 1 11 11 PHE HZ H 1 6.459 0.030 . 1 . . . . 11 PHE HZ . 10277 1 62 . 1 1 11 11 PHE C C 13 174.477 0.300 . 1 . . . . 11 PHE C . 10277 1 63 . 1 1 11 11 PHE CA C 13 57.444 0.300 . 1 . . . . 11 PHE CA . 10277 1 64 . 1 1 11 11 PHE CB C 13 39.467 0.300 . 1 . . . . 11 PHE CB . 10277 1 65 . 1 1 11 11 PHE CD1 C 13 130.882 0.300 . 1 . . . . 11 PHE CD1 . 10277 1 66 . 1 1 11 11 PHE CD2 C 13 130.882 0.300 . 1 . . . . 11 PHE CD2 . 10277 1 67 . 1 1 11 11 PHE CE1 C 13 130.730 0.300 . 1 . . . . 11 PHE CE1 . 10277 1 68 . 1 1 11 11 PHE CE2 C 13 130.730 0.300 . 1 . . . . 11 PHE CE2 . 10277 1 69 . 1 1 11 11 PHE CZ C 13 129.070 0.300 . 1 . . . . 11 PHE CZ . 10277 1 70 . 1 1 11 11 PHE N N 15 125.302 0.300 . 1 . . . . 11 PHE N . 10277 1 71 . 1 1 12 12 ALA H H 1 9.203 0.030 . 1 . . . . 12 ALA H . 10277 1 72 . 1 1 12 12 ALA HA H 1 4.866 0.030 . 1 . . . . 12 ALA HA . 10277 1 73 . 1 1 12 12 ALA HB1 H 1 1.496 0.030 . 1 . . . . 12 ALA HB . 10277 1 74 . 1 1 12 12 ALA HB2 H 1 1.496 0.030 . 1 . . . . 12 ALA HB . 10277 1 75 . 1 1 12 12 ALA HB3 H 1 1.496 0.030 . 1 . . . . 12 ALA HB . 10277 1 76 . 1 1 12 12 ALA C C 13 176.813 0.300 . 1 . . . . 12 ALA C . 10277 1 77 . 1 1 12 12 ALA CA C 13 51.252 0.300 . 1 . . . . 12 ALA CA . 10277 1 78 . 1 1 12 12 ALA CB C 13 20.719 0.300 . 1 . . . . 12 ALA CB . 10277 1 79 . 1 1 12 12 ALA N N 15 127.219 0.300 . 1 . . . . 12 ALA N . 10277 1 80 . 1 1 13 13 ALA H H 1 8.891 0.030 . 1 . . . . 13 ALA H . 10277 1 81 . 1 1 13 13 ALA HA H 1 3.874 0.030 . 1 . . . . 13 ALA HA . 10277 1 82 . 1 1 13 13 ALA HB1 H 1 0.975 0.030 . 1 . . . . 13 ALA HB . 10277 1 83 . 1 1 13 13 ALA HB2 H 1 0.975 0.030 . 1 . . . . 13 ALA HB . 10277 1 84 . 1 1 13 13 ALA HB3 H 1 0.975 0.030 . 1 . . . . 13 ALA HB . 10277 1 85 . 1 1 13 13 ALA C C 13 176.194 0.300 . 1 . . . . 13 ALA C . 10277 1 86 . 1 1 13 13 ALA CA C 13 53.380 0.300 . 1 . . . . 13 ALA CA . 10277 1 87 . 1 1 13 13 ALA CB C 13 19.448 0.300 . 1 . . . . 13 ALA CB . 10277 1 88 . 1 1 13 13 ALA N N 15 126.618 0.300 . 1 . . . . 13 ALA N . 10277 1 89 . 1 1 14 14 GLU H H 1 9.604 0.030 . 1 . . . . 14 GLU H . 10277 1 90 . 1 1 14 14 GLU HA H 1 4.336 0.030 . 1 . . . . 14 GLU HA . 10277 1 91 . 1 1 14 14 GLU HB2 H 1 1.825 0.030 . 1 . . . . 14 GLU HB2 . 10277 1 92 . 1 1 14 14 GLU HB3 H 1 1.825 0.030 . 1 . . . . 14 GLU HB3 . 10277 1 93 . 1 1 14 14 GLU HG2 H 1 2.173 0.030 . 2 . . . . 14 GLU HG2 . 10277 1 94 . 1 1 14 14 GLU HG3 H 1 2.047 0.030 . 2 . . . . 14 GLU HG3 . 10277 1 95 . 1 1 14 14 GLU C C 13 176.093 0.300 . 1 . . . . 14 GLU C . 10277 1 96 . 1 1 14 14 GLU CA C 13 57.356 0.300 . 1 . . . . 14 GLU CA . 10277 1 97 . 1 1 14 14 GLU CB C 13 32.273 0.300 . 1 . . . . 14 GLU CB . 10277 1 98 . 1 1 14 14 GLU CG C 13 36.287 0.300 . 1 . . . . 14 GLU CG . 10277 1 99 . 1 1 14 14 GLU N N 15 123.285 0.300 . 1 . . . . 14 GLU N . 10277 1 100 . 1 1 15 15 CYS H H 1 7.655 0.030 . 1 . . . . 15 CYS H . 10277 1 101 . 1 1 15 15 CYS HA H 1 4.527 0.030 . 1 . . . . 15 CYS HA . 10277 1 102 . 1 1 15 15 CYS HB2 H 1 2.996 0.030 . 2 . . . . 15 CYS HB2 . 10277 1 103 . 1 1 15 15 CYS HB3 H 1 2.853 0.030 . 2 . . . . 15 CYS HB3 . 10277 1 104 . 1 1 15 15 CYS C C 13 171.003 0.300 . 1 . . . . 15 CYS C . 10277 1 105 . 1 1 15 15 CYS CA C 13 56.674 0.300 . 1 . . . . 15 CYS CA . 10277 1 106 . 1 1 15 15 CYS CB C 13 29.765 0.300 . 1 . . . . 15 CYS CB . 10277 1 107 . 1 1 15 15 CYS N N 15 110.806 0.300 . 1 . . . . 15 CYS N . 10277 1 108 . 1 1 16 16 ILE H H 1 8.316 0.030 . 1 . . . . 16 ILE H . 10277 1 109 . 1 1 16 16 ILE HA H 1 4.344 0.030 . 1 . . . . 16 ILE HA . 10277 1 110 . 1 1 16 16 ILE HB H 1 1.258 0.030 . 1 . . . . 16 ILE HB . 10277 1 111 . 1 1 16 16 ILE HD11 H 1 0.206 0.030 . 1 . . . . 16 ILE HD1 . 10277 1 112 . 1 1 16 16 ILE HD12 H 1 0.206 0.030 . 1 . . . . 16 ILE HD1 . 10277 1 113 . 1 1 16 16 ILE HD13 H 1 0.206 0.030 . 1 . . . . 16 ILE HD1 . 10277 1 114 . 1 1 16 16 ILE HG12 H 1 0.583 0.030 . 2 . . . . 16 ILE HG12 . 10277 1 115 . 1 1 16 16 ILE HG13 H 1 1.134 0.030 . 2 . . . . 16 ILE HG13 . 10277 1 116 . 1 1 16 16 ILE HG21 H 1 0.116 0.030 . 1 . . . . 16 ILE HG2 . 10277 1 117 . 1 1 16 16 ILE HG22 H 1 0.116 0.030 . 1 . . . . 16 ILE HG2 . 10277 1 118 . 1 1 16 16 ILE HG23 H 1 0.116 0.030 . 1 . . . . 16 ILE HG2 . 10277 1 119 . 1 1 16 16 ILE C C 13 175.432 0.300 . 1 . . . . 16 ILE C . 10277 1 120 . 1 1 16 16 ILE CA C 13 60.047 0.300 . 1 . . . . 16 ILE CA . 10277 1 121 . 1 1 16 16 ILE CB C 13 39.308 0.300 . 1 . . . . 16 ILE CB . 10277 1 122 . 1 1 16 16 ILE CD1 C 13 13.090 0.300 . 1 . . . . 16 ILE CD1 . 10277 1 123 . 1 1 16 16 ILE CG1 C 13 27.877 0.300 . 1 . . . . 16 ILE CG1 . 10277 1 124 . 1 1 16 16 ILE CG2 C 13 17.974 0.300 . 1 . . . . 16 ILE CG2 . 10277 1 125 . 1 1 16 16 ILE N N 15 121.665 0.300 . 1 . . . . 16 ILE N . 10277 1 126 . 1 1 17 17 LEU H H 1 9.207 0.030 . 1 . . . . 17 LEU H . 10277 1 127 . 1 1 17 17 LEU HA H 1 4.425 0.030 . 1 . . . . 17 LEU HA . 10277 1 128 . 1 1 17 17 LEU HB2 H 1 1.495 0.030 . 2 . . . . 17 LEU HB2 . 10277 1 129 . 1 1 17 17 LEU HB3 H 1 1.217 0.030 . 2 . . . . 17 LEU HB3 . 10277 1 130 . 1 1 17 17 LEU HD11 H 1 0.665 0.030 . 1 . . . . 17 LEU HD1 . 10277 1 131 . 1 1 17 17 LEU HD12 H 1 0.665 0.030 . 1 . . . . 17 LEU HD1 . 10277 1 132 . 1 1 17 17 LEU HD13 H 1 0.665 0.030 . 1 . . . . 17 LEU HD1 . 10277 1 133 . 1 1 17 17 LEU HD21 H 1 0.742 0.030 . 1 . . . . 17 LEU HD2 . 10277 1 134 . 1 1 17 17 LEU HD22 H 1 0.742 0.030 . 1 . . . . 17 LEU HD2 . 10277 1 135 . 1 1 17 17 LEU HD23 H 1 0.742 0.030 . 1 . . . . 17 LEU HD2 . 10277 1 136 . 1 1 17 17 LEU HG H 1 1.388 0.030 . 1 . . . . 17 LEU HG . 10277 1 137 . 1 1 17 17 LEU C C 13 177.573 0.300 . 1 . . . . 17 LEU C . 10277 1 138 . 1 1 17 17 LEU CA C 13 55.825 0.300 . 1 . . . . 17 LEU CA . 10277 1 139 . 1 1 17 17 LEU CB C 13 44.400 0.300 . 1 . . . . 17 LEU CB . 10277 1 140 . 1 1 17 17 LEU CD1 C 13 25.892 0.300 . 2 . . . . 17 LEU CD1 . 10277 1 141 . 1 1 17 17 LEU CD2 C 13 23.468 0.300 . 2 . . . . 17 LEU CD2 . 10277 1 142 . 1 1 17 17 LEU CG C 13 27.380 0.300 . 1 . . . . 17 LEU CG . 10277 1 143 . 1 1 17 17 LEU N N 15 124.728 0.300 . 1 . . . . 17 LEU N . 10277 1 144 . 1 1 18 18 SER H H 1 7.082 0.030 . 1 . . . . 18 SER H . 10277 1 145 . 1 1 18 18 SER HA H 1 4.778 0.030 . 1 . . . . 18 SER HA . 10277 1 146 . 1 1 18 18 SER HB2 H 1 3.882 0.030 . 2 . . . . 18 SER HB2 . 10277 1 147 . 1 1 18 18 SER HB3 H 1 3.654 0.030 . 2 . . . . 18 SER HB3 . 10277 1 148 . 1 1 18 18 SER C C 13 171.685 0.300 . 1 . . . . 18 SER C . 10277 1 149 . 1 1 18 18 SER CA C 13 57.075 0.300 . 1 . . . . 18 SER CA . 10277 1 150 . 1 1 18 18 SER CB C 13 64.550 0.300 . 1 . . . . 18 SER CB . 10277 1 151 . 1 1 18 18 SER N N 15 110.441 0.300 . 1 . . . . 18 SER N . 10277 1 152 . 1 1 19 19 LYS H H 1 8.745 0.030 . 1 . . . . 19 LYS H . 10277 1 153 . 1 1 19 19 LYS HA H 1 5.836 0.030 . 1 . . . . 19 LYS HA . 10277 1 154 . 1 1 19 19 LYS HB2 H 1 1.874 0.030 . 2 . . . . 19 LYS HB2 . 10277 1 155 . 1 1 19 19 LYS HB3 H 1 1.765 0.030 . 2 . . . . 19 LYS HB3 . 10277 1 156 . 1 1 19 19 LYS HD2 H 1 1.865 0.030 . 2 . . . . 19 LYS HD2 . 10277 1 157 . 1 1 19 19 LYS HD3 H 1 1.770 0.030 . 2 . . . . 19 LYS HD3 . 10277 1 158 . 1 1 19 19 LYS HE2 H 1 3.053 0.030 . 1 . . . . 19 LYS HE2 . 10277 1 159 . 1 1 19 19 LYS HE3 H 1 3.053 0.030 . 1 . . . . 19 LYS HE3 . 10277 1 160 . 1 1 19 19 LYS HG2 H 1 1.235 0.030 . 2 . . . . 19 LYS HG2 . 10277 1 161 . 1 1 19 19 LYS HG3 H 1 1.565 0.030 . 2 . . . . 19 LYS HG3 . 10277 1 162 . 1 1 19 19 LYS C C 13 174.068 0.300 . 1 . . . . 19 LYS C . 10277 1 163 . 1 1 19 19 LYS CA C 13 54.770 0.300 . 1 . . . . 19 LYS CA . 10277 1 164 . 1 1 19 19 LYS CB C 13 37.493 0.300 . 1 . . . . 19 LYS CB . 10277 1 165 . 1 1 19 19 LYS CD C 13 30.249 0.300 . 1 . . . . 19 LYS CD . 10277 1 166 . 1 1 19 19 LYS CE C 13 42.335 0.300 . 1 . . . . 19 LYS CE . 10277 1 167 . 1 1 19 19 LYS CG C 13 23.665 0.300 . 1 . . . . 19 LYS CG . 10277 1 168 . 1 1 19 19 LYS N N 15 120.354 0.300 . 1 . . . . 19 LYS N . 10277 1 169 . 1 1 20 20 ARG H H 1 9.264 0.030 . 1 . . . . 20 ARG H . 10277 1 170 . 1 1 20 20 ARG HA H 1 4.703 0.030 . 1 . . . . 20 ARG HA . 10277 1 171 . 1 1 20 20 ARG HB2 H 1 1.381 0.030 . 2 . . . . 20 ARG HB2 . 10277 1 172 . 1 1 20 20 ARG HB3 H 1 1.554 0.030 . 2 . . . . 20 ARG HB3 . 10277 1 173 . 1 1 20 20 ARG HD2 H 1 0.655 0.030 . 2 . . . . 20 ARG HD2 . 10277 1 174 . 1 1 20 20 ARG HD3 H 1 2.077 0.030 . 2 . . . . 20 ARG HD3 . 10277 1 175 . 1 1 20 20 ARG HE H 1 6.535 0.030 . 1 . . . . 20 ARG HE . 10277 1 176 . 1 1 20 20 ARG HG2 H 1 1.124 0.030 . 2 . . . . 20 ARG HG2 . 10277 1 177 . 1 1 20 20 ARG HG3 H 1 0.665 0.030 . 2 . . . . 20 ARG HG3 . 10277 1 178 . 1 1 20 20 ARG C C 13 171.618 0.300 . 1 . . . . 20 ARG C . 10277 1 179 . 1 1 20 20 ARG CA C 13 54.471 0.300 . 1 . . . . 20 ARG CA . 10277 1 180 . 1 1 20 20 ARG CB C 13 32.578 0.300 . 1 . . . . 20 ARG CB . 10277 1 181 . 1 1 20 20 ARG CD C 13 42.458 0.300 . 1 . . . . 20 ARG CD . 10277 1 182 . 1 1 20 20 ARG CG C 13 25.234 0.300 . 1 . . . . 20 ARG CG . 10277 1 183 . 1 1 20 20 ARG N N 15 119.809 0.300 . 1 . . . . 20 ARG N . 10277 1 184 . 1 1 20 20 ARG NE N 15 83.925 0.300 . 1 . . . . 20 ARG NE . 10277 1 185 . 1 1 21 21 LEU H H 1 8.286 0.030 . 1 . . . . 21 LEU H . 10277 1 186 . 1 1 21 21 LEU HA H 1 4.927 0.030 . 1 . . . . 21 LEU HA . 10277 1 187 . 1 1 21 21 LEU HB2 H 1 1.442 0.030 . 2 . . . . 21 LEU HB2 . 10277 1 188 . 1 1 21 21 LEU HB3 H 1 1.384 0.030 . 2 . . . . 21 LEU HB3 . 10277 1 189 . 1 1 21 21 LEU HD11 H 1 0.715 0.030 . 1 . . . . 21 LEU HD1 . 10277 1 190 . 1 1 21 21 LEU HD12 H 1 0.715 0.030 . 1 . . . . 21 LEU HD1 . 10277 1 191 . 1 1 21 21 LEU HD13 H 1 0.715 0.030 . 1 . . . . 21 LEU HD1 . 10277 1 192 . 1 1 21 21 LEU HD21 H 1 0.734 0.030 . 1 . . . . 21 LEU HD2 . 10277 1 193 . 1 1 21 21 LEU HD22 H 1 0.734 0.030 . 1 . . . . 21 LEU HD2 . 10277 1 194 . 1 1 21 21 LEU HD23 H 1 0.734 0.030 . 1 . . . . 21 LEU HD2 . 10277 1 195 . 1 1 21 21 LEU HG H 1 1.346 0.030 . 1 . . . . 21 LEU HG . 10277 1 196 . 1 1 21 21 LEU C C 13 176.880 0.300 . 1 . . . . 21 LEU C . 10277 1 197 . 1 1 21 21 LEU CA C 13 53.433 0.300 . 1 . . . . 21 LEU CA . 10277 1 198 . 1 1 21 21 LEU CB C 13 43.905 0.300 . 1 . . . . 21 LEU CB . 10277 1 199 . 1 1 21 21 LEU CD1 C 13 24.271 0.300 . 2 . . . . 21 LEU CD1 . 10277 1 200 . 1 1 21 21 LEU CD2 C 13 24.748 0.300 . 2 . . . . 21 LEU CD2 . 10277 1 201 . 1 1 21 21 LEU CG C 13 27.356 0.300 . 1 . . . . 21 LEU CG . 10277 1 202 . 1 1 21 21 LEU N N 15 121.552 0.300 . 1 . . . . 21 LEU N . 10277 1 203 . 1 1 22 22 ARG H H 1 9.146 0.030 . 1 . . . . 22 ARG H . 10277 1 204 . 1 1 22 22 ARG HA H 1 4.434 0.030 . 1 . . . . 22 ARG HA . 10277 1 205 . 1 1 22 22 ARG HB2 H 1 1.183 0.030 . 2 . . . . 22 ARG HB2 . 10277 1 206 . 1 1 22 22 ARG HB3 H 1 1.548 0.030 . 2 . . . . 22 ARG HB3 . 10277 1 207 . 1 1 22 22 ARG HD2 H 1 2.825 0.030 . 2 . . . . 22 ARG HD2 . 10277 1 208 . 1 1 22 22 ARG HD3 H 1 3.097 0.030 . 2 . . . . 22 ARG HD3 . 10277 1 209 . 1 1 22 22 ARG HG2 H 1 1.384 0.030 . 2 . . . . 22 ARG HG2 . 10277 1 210 . 1 1 22 22 ARG HG3 H 1 1.175 0.030 . 2 . . . . 22 ARG HG3 . 10277 1 211 . 1 1 22 22 ARG C C 13 175.379 0.300 . 1 . . . . 22 ARG C . 10277 1 212 . 1 1 22 22 ARG CA C 13 55.468 0.300 . 1 . . . . 22 ARG CA . 10277 1 213 . 1 1 22 22 ARG CB C 13 33.049 0.300 . 1 . . . . 22 ARG CB . 10277 1 214 . 1 1 22 22 ARG CD C 13 42.982 0.300 . 1 . . . . 22 ARG CD . 10277 1 215 . 1 1 22 22 ARG CG C 13 27.522 0.300 . 1 . . . . 22 ARG CG . 10277 1 216 . 1 1 22 22 ARG N N 15 126.472 0.300 . 1 . . . . 22 ARG N . 10277 1 217 . 1 1 23 23 LYS H H 1 9.505 0.030 . 1 . . . . 23 LYS H . 10277 1 218 . 1 1 23 23 LYS HA H 1 3.839 0.030 . 1 . . . . 23 LYS HA . 10277 1 219 . 1 1 23 23 LYS HB2 H 1 1.981 0.030 . 2 . . . . 23 LYS HB2 . 10277 1 220 . 1 1 23 23 LYS HB3 H 1 1.774 0.030 . 2 . . . . 23 LYS HB3 . 10277 1 221 . 1 1 23 23 LYS HD2 H 1 1.677 0.030 . 1 . . . . 23 LYS HD2 . 10277 1 222 . 1 1 23 23 LYS HD3 H 1 1.677 0.030 . 1 . . . . 23 LYS HD3 . 10277 1 223 . 1 1 23 23 LYS HE2 H 1 2.981 0.030 . 1 . . . . 23 LYS HE2 . 10277 1 224 . 1 1 23 23 LYS HE3 H 1 2.981 0.030 . 1 . . . . 23 LYS HE3 . 10277 1 225 . 1 1 23 23 LYS HG2 H 1 1.364 0.030 . 1 . . . . 23 LYS HG2 . 10277 1 226 . 1 1 23 23 LYS HG3 H 1 1.364 0.030 . 1 . . . . 23 LYS HG3 . 10277 1 227 . 1 1 23 23 LYS C C 13 176.521 0.300 . 1 . . . . 23 LYS C . 10277 1 228 . 1 1 23 23 LYS CA C 13 57.127 0.300 . 1 . . . . 23 LYS CA . 10277 1 229 . 1 1 23 23 LYS CB C 13 29.988 0.300 . 1 . . . . 23 LYS CB . 10277 1 230 . 1 1 23 23 LYS CD C 13 29.345 0.300 . 1 . . . . 23 LYS CD . 10277 1 231 . 1 1 23 23 LYS CE C 13 42.171 0.300 . 1 . . . . 23 LYS CE . 10277 1 232 . 1 1 23 23 LYS CG C 13 25.316 0.300 . 1 . . . . 23 LYS CG . 10277 1 233 . 1 1 24 24 GLY H H 1 8.438 0.030 . 1 . . . . 24 GLY H . 10277 1 234 . 1 1 24 24 GLY HA2 H 1 4.124 0.030 . 2 . . . . 24 GLY HA2 . 10277 1 235 . 1 1 24 24 GLY HA3 H 1 3.517 0.030 . 2 . . . . 24 GLY HA3 . 10277 1 236 . 1 1 24 24 GLY C C 13 173.338 0.300 . 1 . . . . 24 GLY C . 10277 1 237 . 1 1 24 24 GLY CA C 13 45.481 0.300 . 1 . . . . 24 GLY CA . 10277 1 238 . 1 1 24 24 GLY N N 15 103.048 0.300 . 1 . . . . 24 GLY N . 10277 1 239 . 1 1 25 25 LYS H H 1 7.785 0.030 . 1 . . . . 25 LYS H . 10277 1 240 . 1 1 25 25 LYS HA H 1 4.635 0.030 . 1 . . . . 25 LYS HA . 10277 1 241 . 1 1 25 25 LYS HB2 H 1 2.005 0.030 . 2 . . . . 25 LYS HB2 . 10277 1 242 . 1 1 25 25 LYS HB3 H 1 1.781 0.030 . 2 . . . . 25 LYS HB3 . 10277 1 243 . 1 1 25 25 LYS HD2 H 1 1.785 0.030 . 1 . . . . 25 LYS HD2 . 10277 1 244 . 1 1 25 25 LYS HD3 H 1 1.785 0.030 . 1 . . . . 25 LYS HD3 . 10277 1 245 . 1 1 25 25 LYS HE2 H 1 3.103 0.030 . 1 . . . . 25 LYS HE2 . 10277 1 246 . 1 1 25 25 LYS HE3 H 1 3.103 0.030 . 1 . . . . 25 LYS HE3 . 10277 1 247 . 1 1 25 25 LYS HG2 H 1 1.486 0.030 . 2 . . . . 25 LYS HG2 . 10277 1 248 . 1 1 25 25 LYS HG3 H 1 1.459 0.030 . 2 . . . . 25 LYS HG3 . 10277 1 249 . 1 1 25 25 LYS C C 13 174.733 0.300 . 1 . . . . 25 LYS C . 10277 1 250 . 1 1 25 25 LYS CA C 13 54.365 0.300 . 1 . . . . 25 LYS CA . 10277 1 251 . 1 1 25 25 LYS CB C 13 34.616 0.300 . 1 . . . . 25 LYS CB . 10277 1 252 . 1 1 25 25 LYS CD C 13 28.908 0.300 . 1 . . . . 25 LYS CD . 10277 1 253 . 1 1 25 25 LYS CE C 13 42.086 0.300 . 1 . . . . 25 LYS CE . 10277 1 254 . 1 1 25 25 LYS CG C 13 24.329 0.300 . 1 . . . . 25 LYS CG . 10277 1 255 . 1 1 25 25 LYS N N 15 121.463 0.300 . 1 . . . . 25 LYS N . 10277 1 256 . 1 1 26 26 LEU H H 1 8.555 0.030 . 1 . . . . 26 LEU H . 10277 1 257 . 1 1 26 26 LEU HA H 1 4.763 0.030 . 1 . . . . 26 LEU HA . 10277 1 258 . 1 1 26 26 LEU HB2 H 1 1.565 0.030 . 2 . . . . 26 LEU HB2 . 10277 1 259 . 1 1 26 26 LEU HB3 H 1 1.253 0.030 . 2 . . . . 26 LEU HB3 . 10277 1 260 . 1 1 26 26 LEU HD11 H 1 0.749 0.030 . 1 . . . . 26 LEU HD1 . 10277 1 261 . 1 1 26 26 LEU HD12 H 1 0.749 0.030 . 1 . . . . 26 LEU HD1 . 10277 1 262 . 1 1 26 26 LEU HD13 H 1 0.749 0.030 . 1 . . . . 26 LEU HD1 . 10277 1 263 . 1 1 26 26 LEU HD21 H 1 0.867 0.030 . 1 . . . . 26 LEU HD2 . 10277 1 264 . 1 1 26 26 LEU HD22 H 1 0.867 0.030 . 1 . . . . 26 LEU HD2 . 10277 1 265 . 1 1 26 26 LEU HD23 H 1 0.867 0.030 . 1 . . . . 26 LEU HD2 . 10277 1 266 . 1 1 26 26 LEU HG H 1 1.377 0.030 . 1 . . . . 26 LEU HG . 10277 1 267 . 1 1 26 26 LEU C C 13 176.596 0.300 . 1 . . . . 26 LEU C . 10277 1 268 . 1 1 26 26 LEU CA C 13 54.999 0.300 . 1 . . . . 26 LEU CA . 10277 1 269 . 1 1 26 26 LEU CB C 13 43.167 0.300 . 1 . . . . 26 LEU CB . 10277 1 270 . 1 1 26 26 LEU CD1 C 13 24.788 0.300 . 2 . . . . 26 LEU CD1 . 10277 1 271 . 1 1 26 26 LEU CD2 C 13 24.886 0.300 . 2 . . . . 26 LEU CD2 . 10277 1 272 . 1 1 26 26 LEU CG C 13 27.298 0.300 . 1 . . . . 26 LEU CG . 10277 1 273 . 1 1 26 26 LEU N N 15 124.731 0.300 . 1 . . . . 26 LEU N . 10277 1 274 . 1 1 27 27 GLU H H 1 8.944 0.030 . 1 . . . . 27 GLU H . 10277 1 275 . 1 1 27 27 GLU HA H 1 4.923 0.030 . 1 . . . . 27 GLU HA . 10277 1 276 . 1 1 27 27 GLU HB2 H 1 1.898 0.030 . 2 . . . . 27 GLU HB2 . 10277 1 277 . 1 1 27 27 GLU HB3 H 1 1.760 0.030 . 2 . . . . 27 GLU HB3 . 10277 1 278 . 1 1 27 27 GLU HG2 H 1 2.167 0.030 . 2 . . . . 27 GLU HG2 . 10277 1 279 . 1 1 27 27 GLU HG3 H 1 1.955 0.030 . 2 . . . . 27 GLU HG3 . 10277 1 280 . 1 1 27 27 GLU C C 13 174.422 0.300 . 1 . . . . 27 GLU C . 10277 1 281 . 1 1 27 27 GLU CA C 13 53.874 0.300 . 1 . . . . 27 GLU CA . 10277 1 282 . 1 1 27 27 GLU CB C 13 35.191 0.300 . 1 . . . . 27 GLU CB . 10277 1 283 . 1 1 27 27 GLU CG C 13 36.269 0.300 . 1 . . . . 27 GLU CG . 10277 1 284 . 1 1 27 27 GLU N N 15 122.189 0.300 . 1 . . . . 27 GLU N . 10277 1 285 . 1 1 28 28 TYR H H 1 9.423 0.030 . 1 . . . . 28 TYR H . 10277 1 286 . 1 1 28 28 TYR HA H 1 5.265 0.030 . 1 . . . . 28 TYR HA . 10277 1 287 . 1 1 28 28 TYR HB2 H 1 2.717 0.030 . 2 . . . . 28 TYR HB2 . 10277 1 288 . 1 1 28 28 TYR HB3 H 1 2.391 0.030 . 2 . . . . 28 TYR HB3 . 10277 1 289 . 1 1 28 28 TYR HD1 H 1 6.817 0.030 . 1 . . . . 28 TYR HD1 . 10277 1 290 . 1 1 28 28 TYR HD2 H 1 6.817 0.030 . 1 . . . . 28 TYR HD2 . 10277 1 291 . 1 1 28 28 TYR HE1 H 1 6.664 0.030 . 1 . . . . 28 TYR HE1 . 10277 1 292 . 1 1 28 28 TYR HE2 H 1 6.664 0.030 . 1 . . . . 28 TYR HE2 . 10277 1 293 . 1 1 28 28 TYR C C 13 174.020 0.300 . 1 . . . . 28 TYR C . 10277 1 294 . 1 1 28 28 TYR CA C 13 56.511 0.300 . 1 . . . . 28 TYR CA . 10277 1 295 . 1 1 28 28 TYR CB C 13 41.646 0.300 . 1 . . . . 28 TYR CB . 10277 1 296 . 1 1 28 28 TYR CD1 C 13 132.873 0.300 . 1 . . . . 28 TYR CD1 . 10277 1 297 . 1 1 28 28 TYR CD2 C 13 132.873 0.300 . 1 . . . . 28 TYR CD2 . 10277 1 298 . 1 1 28 28 TYR CE1 C 13 117.237 0.300 . 1 . . . . 28 TYR CE1 . 10277 1 299 . 1 1 28 28 TYR CE2 C 13 117.237 0.300 . 1 . . . . 28 TYR CE2 . 10277 1 300 . 1 1 28 28 TYR N N 15 118.361 0.300 . 1 . . . . 28 TYR N . 10277 1 301 . 1 1 29 29 LEU H H 1 7.779 0.030 . 1 . . . . 29 LEU H . 10277 1 302 . 1 1 29 29 LEU HA H 1 3.634 0.030 . 1 . . . . 29 LEU HA . 10277 1 303 . 1 1 29 29 LEU HB2 H 1 0.799 0.030 . 2 . . . . 29 LEU HB2 . 10277 1 304 . 1 1 29 29 LEU HB3 H 1 -1.413 0.030 . 2 . . . . 29 LEU HB3 . 10277 1 305 . 1 1 29 29 LEU HD11 H 1 -0.448 0.030 . 1 . . . . 29 LEU HD1 . 10277 1 306 . 1 1 29 29 LEU HD12 H 1 -0.448 0.030 . 1 . . . . 29 LEU HD1 . 10277 1 307 . 1 1 29 29 LEU HD13 H 1 -0.448 0.030 . 1 . . . . 29 LEU HD1 . 10277 1 308 . 1 1 29 29 LEU HD21 H 1 0.445 0.030 . 1 . . . . 29 LEU HD2 . 10277 1 309 . 1 1 29 29 LEU HD22 H 1 0.445 0.030 . 1 . . . . 29 LEU HD2 . 10277 1 310 . 1 1 29 29 LEU HD23 H 1 0.445 0.030 . 1 . . . . 29 LEU HD2 . 10277 1 311 . 1 1 29 29 LEU HG H 1 0.664 0.030 . 1 . . . . 29 LEU HG . 10277 1 312 . 1 1 29 29 LEU C C 13 173.992 0.300 . 1 . . . . 29 LEU C . 10277 1 313 . 1 1 29 29 LEU CA C 13 53.680 0.300 . 1 . . . . 29 LEU CA . 10277 1 314 . 1 1 29 29 LEU CB C 13 40.115 0.300 . 1 . . . . 29 LEU CB . 10277 1 315 . 1 1 29 29 LEU CD1 C 13 20.018 0.300 . 2 . . . . 29 LEU CD1 . 10277 1 316 . 1 1 29 29 LEU CD2 C 13 25.448 0.300 . 2 . . . . 29 LEU CD2 . 10277 1 317 . 1 1 29 29 LEU CG C 13 26.091 0.300 . 1 . . . . 29 LEU CG . 10277 1 318 . 1 1 29 29 LEU N N 15 127.541 0.300 . 1 . . . . 29 LEU N . 10277 1 319 . 1 1 30 30 VAL H H 1 8.936 0.030 . 1 . . . . 30 VAL H . 10277 1 320 . 1 1 30 30 VAL HA H 1 3.915 0.030 . 1 . . . . 30 VAL HA . 10277 1 321 . 1 1 30 30 VAL HB H 1 1.375 0.030 . 1 . . . . 30 VAL HB . 10277 1 322 . 1 1 30 30 VAL HG11 H 1 -0.702 0.030 . 1 . . . . 30 VAL HG1 . 10277 1 323 . 1 1 30 30 VAL HG12 H 1 -0.702 0.030 . 1 . . . . 30 VAL HG1 . 10277 1 324 . 1 1 30 30 VAL HG13 H 1 -0.702 0.030 . 1 . . . . 30 VAL HG1 . 10277 1 325 . 1 1 30 30 VAL HG21 H 1 0.387 0.030 . 1 . . . . 30 VAL HG2 . 10277 1 326 . 1 1 30 30 VAL HG22 H 1 0.387 0.030 . 1 . . . . 30 VAL HG2 . 10277 1 327 . 1 1 30 30 VAL HG23 H 1 0.387 0.030 . 1 . . . . 30 VAL HG2 . 10277 1 328 . 1 1 30 30 VAL C C 13 173.840 0.300 . 1 . . . . 30 VAL C . 10277 1 329 . 1 1 30 30 VAL CA C 13 62.106 0.300 . 1 . . . . 30 VAL CA . 10277 1 330 . 1 1 30 30 VAL CB C 13 34.458 0.300 . 1 . . . . 30 VAL CB . 10277 1 331 . 1 1 30 30 VAL CG1 C 13 20.177 0.300 . 2 . . . . 30 VAL CG1 . 10277 1 332 . 1 1 30 30 VAL CG2 C 13 22.058 0.300 . 2 . . . . 30 VAL CG2 . 10277 1 333 . 1 1 30 30 VAL N N 15 130.095 0.300 . 1 . . . . 30 VAL N . 10277 1 334 . 1 1 31 31 LYS H H 1 7.596 0.030 . 1 . . . . 31 LYS H . 10277 1 335 . 1 1 31 31 LYS HA H 1 4.525 0.030 . 1 . . . . 31 LYS HA . 10277 1 336 . 1 1 31 31 LYS HB2 H 1 1.824 0.030 . 2 . . . . 31 LYS HB2 . 10277 1 337 . 1 1 31 31 LYS HB3 H 1 1.426 0.030 . 2 . . . . 31 LYS HB3 . 10277 1 338 . 1 1 31 31 LYS HD2 H 1 1.677 0.030 . 2 . . . . 31 LYS HD2 . 10277 1 339 . 1 1 31 31 LYS HD3 H 1 1.925 0.030 . 2 . . . . 31 LYS HD3 . 10277 1 340 . 1 1 31 31 LYS HE2 H 1 3.175 0.030 . 2 . . . . 31 LYS HE2 . 10277 1 341 . 1 1 31 31 LYS HE3 H 1 3.014 0.030 . 2 . . . . 31 LYS HE3 . 10277 1 342 . 1 1 31 31 LYS HG2 H 1 1.352 0.030 . 2 . . . . 31 LYS HG2 . 10277 1 343 . 1 1 31 31 LYS HG3 H 1 1.420 0.030 . 2 . . . . 31 LYS HG3 . 10277 1 344 . 1 1 31 31 LYS C C 13 175.379 0.300 . 1 . . . . 31 LYS C . 10277 1 345 . 1 1 31 31 LYS CA C 13 53.574 0.300 . 1 . . . . 31 LYS CA . 10277 1 346 . 1 1 31 31 LYS CB C 13 34.848 0.300 . 1 . . . . 31 LYS CB . 10277 1 347 . 1 1 31 31 LYS CD C 13 29.263 0.300 . 1 . . . . 31 LYS CD . 10277 1 348 . 1 1 31 31 LYS CE C 13 43.287 0.300 . 1 . . . . 31 LYS CE . 10277 1 349 . 1 1 31 31 LYS CG C 13 24.905 0.300 . 1 . . . . 31 LYS CG . 10277 1 350 . 1 1 31 31 LYS N N 15 123.992 0.300 . 1 . . . . 31 LYS N . 10277 1 351 . 1 1 32 32 TRP H H 1 9.368 0.030 . 1 . . . . 32 TRP H . 10277 1 352 . 1 1 32 32 TRP HA H 1 4.816 0.030 . 1 . . . . 32 TRP HA . 10277 1 353 . 1 1 32 32 TRP HB2 H 1 3.113 0.030 . 2 . . . . 32 TRP HB2 . 10277 1 354 . 1 1 32 32 TRP HB3 H 1 3.292 0.030 . 2 . . . . 32 TRP HB3 . 10277 1 355 . 1 1 32 32 TRP HD1 H 1 7.425 0.030 . 1 . . . . 32 TRP HD1 . 10277 1 356 . 1 1 32 32 TRP HE1 H 1 10.145 0.030 . 1 . . . . 32 TRP HE1 . 10277 1 357 . 1 1 32 32 TRP HE3 H 1 7.184 0.030 . 1 . . . . 32 TRP HE3 . 10277 1 358 . 1 1 32 32 TRP HH2 H 1 7.054 0.030 . 1 . . . . 32 TRP HH2 . 10277 1 359 . 1 1 32 32 TRP HZ2 H 1 7.355 0.030 . 1 . . . . 32 TRP HZ2 . 10277 1 360 . 1 1 32 32 TRP HZ3 H 1 6.948 0.030 . 1 . . . . 32 TRP HZ3 . 10277 1 361 . 1 1 32 32 TRP C C 13 176.830 0.300 . 1 . . . . 32 TRP C . 10277 1 362 . 1 1 32 32 TRP CA C 13 56.002 0.300 . 1 . . . . 32 TRP CA . 10277 1 363 . 1 1 32 32 TRP CB C 13 31.163 0.300 . 1 . . . . 32 TRP CB . 10277 1 364 . 1 1 32 32 TRP CD1 C 13 130.184 0.300 . 1 . . . . 32 TRP CD1 . 10277 1 365 . 1 1 32 32 TRP CE3 C 13 119.494 0.300 . 1 . . . . 32 TRP CE3 . 10277 1 366 . 1 1 32 32 TRP CH2 C 13 123.352 0.300 . 1 . . . . 32 TRP CH2 . 10277 1 367 . 1 1 32 32 TRP CZ2 C 13 114.387 0.300 . 1 . . . . 32 TRP CZ2 . 10277 1 368 . 1 1 32 32 TRP CZ3 C 13 121.395 0.300 . 1 . . . . 32 TRP CZ3 . 10277 1 369 . 1 1 32 32 TRP N N 15 131.754 0.300 . 1 . . . . 32 TRP N . 10277 1 370 . 1 1 32 32 TRP NE1 N 15 129.961 0.300 . 1 . . . . 32 TRP NE1 . 10277 1 371 . 1 1 33 33 ARG H H 1 9.455 0.030 . 1 . . . . 33 ARG H . 10277 1 372 . 1 1 33 33 ARG HA H 1 4.345 0.030 . 1 . . . . 33 ARG HA . 10277 1 373 . 1 1 33 33 ARG HB2 H 1 1.905 0.030 . 2 . . . . 33 ARG HB2 . 10277 1 374 . 1 1 33 33 ARG HB3 H 1 1.675 0.030 . 2 . . . . 33 ARG HB3 . 10277 1 375 . 1 1 33 33 ARG HD2 H 1 3.212 0.030 . 2 . . . . 33 ARG HD2 . 10277 1 376 . 1 1 33 33 ARG HD3 H 1 3.271 0.030 . 2 . . . . 33 ARG HD3 . 10277 1 377 . 1 1 33 33 ARG HG2 H 1 1.575 0.030 . 2 . . . . 33 ARG HG2 . 10277 1 378 . 1 1 33 33 ARG HG3 H 1 1.655 0.030 . 2 . . . . 33 ARG HG3 . 10277 1 379 . 1 1 33 33 ARG C C 13 178.092 0.300 . 1 . . . . 33 ARG C . 10277 1 380 . 1 1 33 33 ARG CA C 13 57.590 0.300 . 1 . . . . 33 ARG CA . 10277 1 381 . 1 1 33 33 ARG CB C 13 30.400 0.300 . 1 . . . . 33 ARG CB . 10277 1 382 . 1 1 33 33 ARG CD C 13 43.478 0.300 . 1 . . . . 33 ARG CD . 10277 1 383 . 1 1 33 33 ARG CG C 13 27.480 0.300 . 1 . . . . 33 ARG CG . 10277 1 384 . 1 1 33 33 ARG N N 15 124.374 0.300 . 1 . . . . 33 ARG N . 10277 1 385 . 1 1 34 34 GLY H H 1 9.319 0.030 . 1 . . . . 34 GLY H . 10277 1 386 . 1 1 34 34 GLY HA2 H 1 3.642 0.030 . 2 . . . . 34 GLY HA2 . 10277 1 387 . 1 1 34 34 GLY HA3 H 1 3.976 0.030 . 2 . . . . 34 GLY HA3 . 10277 1 388 . 1 1 34 34 GLY CA C 13 45.636 0.300 . 1 . . . . 34 GLY CA . 10277 1 389 . 1 1 34 34 GLY N N 15 114.254 0.300 . 1 . . . . 34 GLY N . 10277 1 390 . 1 1 35 35 TRP H H 1 7.725 0.030 . 1 . . . . 35 TRP H . 10277 1 391 . 1 1 35 35 TRP HA H 1 4.785 0.030 . 1 . . . . 35 TRP HA . 10277 1 392 . 1 1 35 35 TRP HB2 H 1 3.094 0.030 . 2 . . . . 35 TRP HB2 . 10277 1 393 . 1 1 35 35 TRP HB3 H 1 3.332 0.030 . 2 . . . . 35 TRP HB3 . 10277 1 394 . 1 1 35 35 TRP HD1 H 1 7.054 0.030 . 1 . . . . 35 TRP HD1 . 10277 1 395 . 1 1 35 35 TRP HE1 H 1 9.275 0.030 . 1 . . . . 35 TRP HE1 . 10277 1 396 . 1 1 35 35 TRP HE3 H 1 6.862 0.030 . 1 . . . . 35 TRP HE3 . 10277 1 397 . 1 1 35 35 TRP HH2 H 1 6.983 0.030 . 1 . . . . 35 TRP HH2 . 10277 1 398 . 1 1 35 35 TRP HZ2 H 1 6.985 0.030 . 1 . . . . 35 TRP HZ2 . 10277 1 399 . 1 1 35 35 TRP HZ3 H 1 6.797 0.030 . 1 . . . . 35 TRP HZ3 . 10277 1 400 . 1 1 35 35 TRP CA C 13 55.641 0.300 . 1 . . . . 35 TRP CA . 10277 1 401 . 1 1 35 35 TRP CB C 13 31.352 0.300 . 1 . . . . 35 TRP CB . 10277 1 402 . 1 1 35 35 TRP CD1 C 13 127.520 0.300 . 1 . . . . 35 TRP CD1 . 10277 1 403 . 1 1 35 35 TRP CE3 C 13 120.175 0.300 . 1 . . . . 35 TRP CE3 . 10277 1 404 . 1 1 35 35 TRP CH2 C 13 123.891 0.300 . 1 . . . . 35 TRP CH2 . 10277 1 405 . 1 1 35 35 TRP CZ2 C 13 114.415 0.300 . 1 . . . . 35 TRP CZ2 . 10277 1 406 . 1 1 35 35 TRP CZ3 C 13 121.338 0.300 . 1 . . . . 35 TRP CZ3 . 10277 1 407 . 1 1 35 35 TRP N N 15 120.008 0.300 . 1 . . . . 35 TRP N . 10277 1 408 . 1 1 35 35 TRP NE1 N 15 128.185 0.300 . 1 . . . . 35 TRP NE1 . 10277 1 409 . 1 1 36 36 SER H H 1 8.785 0.030 . 1 . . . . 36 SER H . 10277 1 410 . 1 1 36 36 SER HA H 1 4.587 0.030 . 1 . . . . 36 SER HA . 10277 1 411 . 1 1 36 36 SER HB2 H 1 4.084 0.030 . 2 . . . . 36 SER HB2 . 10277 1 412 . 1 1 36 36 SER HB3 H 1 4.348 0.030 . 2 . . . . 36 SER HB3 . 10277 1 413 . 1 1 36 36 SER CA C 13 58.364 0.300 . 1 . . . . 36 SER CA . 10277 1 414 . 1 1 36 36 SER CB C 13 64.741 0.300 . 1 . . . . 36 SER CB . 10277 1 415 . 1 1 36 36 SER N N 15 117.243 0.300 . 1 . . . . 36 SER N . 10277 1 416 . 1 1 37 37 SER HA H 1 4.491 0.030 . 1 . . . . 37 SER HA . 10277 1 417 . 1 1 37 37 SER HB2 H 1 3.989 0.030 . 1 . . . . 37 SER HB2 . 10277 1 418 . 1 1 37 37 SER HB3 H 1 3.989 0.030 . 1 . . . . 37 SER HB3 . 10277 1 419 . 1 1 37 37 SER CA C 13 60.248 0.300 . 1 . . . . 37 SER CA . 10277 1 420 . 1 1 37 37 SER CB C 13 63.340 0.300 . 1 . . . . 37 SER CB . 10277 1 421 . 1 1 38 38 LYS HA H 1 4.155 0.030 . 1 . . . . 38 LYS HA . 10277 1 422 . 1 1 38 38 LYS HB2 H 1 1.615 0.030 . 2 . . . . 38 LYS HB2 . 10277 1 423 . 1 1 38 38 LYS HB3 H 1 1.551 0.030 . 2 . . . . 38 LYS HB3 . 10277 1 424 . 1 1 38 38 LYS HD2 H 1 1.405 0.030 . 2 . . . . 38 LYS HD2 . 10277 1 425 . 1 1 38 38 LYS HD3 H 1 1.487 0.030 . 2 . . . . 38 LYS HD3 . 10277 1 426 . 1 1 38 38 LYS HE2 H 1 2.783 0.030 . 1 . . . . 38 LYS HE2 . 10277 1 427 . 1 1 38 38 LYS HE3 H 1 2.783 0.030 . 1 . . . . 38 LYS HE3 . 10277 1 428 . 1 1 38 38 LYS HG2 H 1 1.134 0.030 . 2 . . . . 38 LYS HG2 . 10277 1 429 . 1 1 38 38 LYS HG3 H 1 1.208 0.030 . 2 . . . . 38 LYS HG3 . 10277 1 430 . 1 1 38 38 LYS CA C 13 58.001 0.300 . 1 . . . . 38 LYS CA . 10277 1 431 . 1 1 38 38 LYS CB C 13 32.378 0.300 . 1 . . . . 38 LYS CB . 10277 1 432 . 1 1 38 38 LYS CD C 13 28.851 0.300 . 1 . . . . 38 LYS CD . 10277 1 433 . 1 1 38 38 LYS CE C 13 41.848 0.300 . 1 . . . . 38 LYS CE . 10277 1 434 . 1 1 38 38 LYS CG C 13 24.466 0.300 . 1 . . . . 38 LYS CG . 10277 1 435 . 1 1 39 39 HIS H H 1 8.245 0.030 . 1 . . . . 39 HIS H . 10277 1 436 . 1 1 39 39 HIS HA H 1 4.460 0.030 . 1 . . . . 39 HIS HA . 10277 1 437 . 1 1 39 39 HIS HB2 H 1 3.385 0.030 . 2 . . . . 39 HIS HB2 . 10277 1 438 . 1 1 39 39 HIS HB3 H 1 3.266 0.030 . 2 . . . . 39 HIS HB3 . 10277 1 439 . 1 1 39 39 HIS HD2 H 1 7.312 0.030 . 1 . . . . 39 HIS HD2 . 10277 1 440 . 1 1 39 39 HIS HE1 H 1 7.835 0.030 . 1 . . . . 39 HIS HE1 . 10277 1 441 . 1 1 39 39 HIS CA C 13 56.031 0.300 . 1 . . . . 39 HIS CA . 10277 1 442 . 1 1 39 39 HIS CB C 13 30.068 0.300 . 1 . . . . 39 HIS CB . 10277 1 443 . 1 1 39 39 HIS CD2 C 13 122.930 0.300 . 1 . . . . 39 HIS CD2 . 10277 1 444 . 1 1 39 39 HIS CE1 C 13 138.500 0.300 . 1 . . . . 39 HIS CE1 . 10277 1 445 . 1 1 39 39 HIS N N 15 117.908 0.300 . 1 . . . . 39 HIS N . 10277 1 446 . 1 1 40 40 ASN H H 1 7.746 0.030 . 1 . . . . 40 ASN H . 10277 1 447 . 1 1 40 40 ASN HA H 1 5.176 0.030 . 1 . . . . 40 ASN HA . 10277 1 448 . 1 1 40 40 ASN HB2 H 1 2.665 0.030 . 2 . . . . 40 ASN HB2 . 10277 1 449 . 1 1 40 40 ASN HB3 H 1 2.305 0.030 . 2 . . . . 40 ASN HB3 . 10277 1 450 . 1 1 40 40 ASN HD21 H 1 6.578 0.030 . 2 . . . . 40 ASN HD21 . 10277 1 451 . 1 1 40 40 ASN HD22 H 1 7.005 0.030 . 2 . . . . 40 ASN HD22 . 10277 1 452 . 1 1 40 40 ASN C C 13 176.114 0.300 . 1 . . . . 40 ASN C . 10277 1 453 . 1 1 40 40 ASN CA C 13 54.102 0.300 . 1 . . . . 40 ASN CA . 10277 1 454 . 1 1 40 40 ASN CB C 13 37.123 0.300 . 1 . . . . 40 ASN CB . 10277 1 455 . 1 1 40 40 ASN N N 15 121.018 0.300 . 1 . . . . 40 ASN N . 10277 1 456 . 1 1 40 40 ASN ND2 N 15 106.920 0.300 . 1 . . . . 40 ASN ND2 . 10277 1 457 . 1 1 41 41 SER H H 1 8.492 0.030 . 1 . . . . 41 SER H . 10277 1 458 . 1 1 41 41 SER HA H 1 4.866 0.030 . 1 . . . . 41 SER HA . 10277 1 459 . 1 1 41 41 SER HB2 H 1 4.164 0.030 . 2 . . . . 41 SER HB2 . 10277 1 460 . 1 1 41 41 SER HB3 H 1 3.933 0.030 . 2 . . . . 41 SER HB3 . 10277 1 461 . 1 1 41 41 SER C C 13 172.479 0.300 . 1 . . . . 41 SER C . 10277 1 462 . 1 1 41 41 SER CA C 13 57.145 0.300 . 1 . . . . 41 SER CA . 10277 1 463 . 1 1 41 41 SER CB C 13 66.057 0.300 . 1 . . . . 41 SER CB . 10277 1 464 . 1 1 41 41 SER N N 15 115.675 0.300 . 1 . . . . 41 SER N . 10277 1 465 . 1 1 42 42 TRP H H 1 8.604 0.030 . 1 . . . . 42 TRP H . 10277 1 466 . 1 1 42 42 TRP HA H 1 4.980 0.030 . 1 . . . . 42 TRP HA . 10277 1 467 . 1 1 42 42 TRP HB2 H 1 2.805 0.030 . 2 . . . . 42 TRP HB2 . 10277 1 468 . 1 1 42 42 TRP HB3 H 1 2.955 0.030 . 2 . . . . 42 TRP HB3 . 10277 1 469 . 1 1 42 42 TRP HD1 H 1 7.212 0.030 . 1 . . . . 42 TRP HD1 . 10277 1 470 . 1 1 42 42 TRP HE1 H 1 10.066 0.030 . 1 . . . . 42 TRP HE1 . 10277 1 471 . 1 1 42 42 TRP HE3 H 1 6.952 0.030 . 1 . . . . 42 TRP HE3 . 10277 1 472 . 1 1 42 42 TRP HH2 H 1 6.913 0.030 . 1 . . . . 42 TRP HH2 . 10277 1 473 . 1 1 42 42 TRP HZ2 H 1 7.405 0.030 . 1 . . . . 42 TRP HZ2 . 10277 1 474 . 1 1 42 42 TRP HZ3 H 1 6.622 0.030 . 1 . . . . 42 TRP HZ3 . 10277 1 475 . 1 1 42 42 TRP C C 13 177.025 0.300 . 1 . . . . 42 TRP C . 10277 1 476 . 1 1 42 42 TRP CA C 13 56.477 0.300 . 1 . . . . 42 TRP CA . 10277 1 477 . 1 1 42 42 TRP CB C 13 29.625 0.300 . 1 . . . . 42 TRP CB . 10277 1 478 . 1 1 42 42 TRP CD1 C 13 127.624 0.300 . 1 . . . . 42 TRP CD1 . 10277 1 479 . 1 1 42 42 TRP CE3 C 13 120.033 0.300 . 1 . . . . 42 TRP CE3 . 10277 1 480 . 1 1 42 42 TRP CH2 C 13 123.012 0.300 . 1 . . . . 42 TRP CH2 . 10277 1 481 . 1 1 42 42 TRP CZ2 C 13 115.025 0.300 . 1 . . . . 42 TRP CZ2 . 10277 1 482 . 1 1 42 42 TRP CZ3 C 13 121.948 0.300 . 1 . . . . 42 TRP CZ3 . 10277 1 483 . 1 1 42 42 TRP N N 15 123.109 0.300 . 1 . . . . 42 TRP N . 10277 1 484 . 1 1 42 42 TRP NE1 N 15 129.586 0.300 . 1 . . . . 42 TRP NE1 . 10277 1 485 . 1 1 43 43 GLU H H 1 9.916 0.030 . 1 . . . . 43 GLU H . 10277 1 486 . 1 1 43 43 GLU HA H 1 5.225 0.030 . 1 . . . . 43 GLU HA . 10277 1 487 . 1 1 43 43 GLU HB2 H 1 1.755 0.030 . 2 . . . . 43 GLU HB2 . 10277 1 488 . 1 1 43 43 GLU HB3 H 1 2.306 0.030 . 2 . . . . 43 GLU HB3 . 10277 1 489 . 1 1 43 43 GLU HG2 H 1 2.496 0.030 . 2 . . . . 43 GLU HG2 . 10277 1 490 . 1 1 43 43 GLU HG3 H 1 2.375 0.030 . 2 . . . . 43 GLU HG3 . 10277 1 491 . 1 1 43 43 GLU C C 13 174.192 0.300 . 1 . . . . 43 GLU C . 10277 1 492 . 1 1 43 43 GLU CA C 13 52.230 0.300 . 1 . . . . 43 GLU CA . 10277 1 493 . 1 1 43 43 GLU CB C 13 32.537 0.300 . 1 . . . . 43 GLU CB . 10277 1 494 . 1 1 43 43 GLU CG C 13 35.465 0.300 . 1 . . . . 43 GLU CG . 10277 1 495 . 1 1 43 43 GLU N N 15 125.182 0.300 . 1 . . . . 43 GLU N . 10277 1 496 . 1 1 44 44 PRO HA H 1 4.934 0.030 . 1 . . . . 44 PRO HA . 10277 1 497 . 1 1 44 44 PRO HB2 H 1 2.522 0.030 . 2 . . . . 44 PRO HB2 . 10277 1 498 . 1 1 44 44 PRO HB3 H 1 2.368 0.030 . 2 . . . . 44 PRO HB3 . 10277 1 499 . 1 1 44 44 PRO HD2 H 1 4.074 0.030 . 2 . . . . 44 PRO HD2 . 10277 1 500 . 1 1 44 44 PRO HD3 H 1 3.946 0.030 . 2 . . . . 44 PRO HD3 . 10277 1 501 . 1 1 44 44 PRO HG2 H 1 1.942 0.030 . 2 . . . . 44 PRO HG2 . 10277 1 502 . 1 1 44 44 PRO HG3 H 1 2.185 0.030 . 2 . . . . 44 PRO HG3 . 10277 1 503 . 1 1 44 44 PRO C C 13 177.782 0.300 . 1 . . . . 44 PRO C . 10277 1 504 . 1 1 44 44 PRO CA C 13 62.525 0.300 . 1 . . . . 44 PRO CA . 10277 1 505 . 1 1 44 44 PRO CB C 13 32.730 0.300 . 1 . . . . 44 PRO CB . 10277 1 506 . 1 1 44 44 PRO CD C 13 50.567 0.300 . 1 . . . . 44 PRO CD . 10277 1 507 . 1 1 44 44 PRO CG C 13 27.468 0.300 . 1 . . . . 44 PRO CG . 10277 1 508 . 1 1 45 45 GLU H H 1 8.637 0.030 . 1 . . . . 45 GLU H . 10277 1 509 . 1 1 45 45 GLU HA H 1 3.965 0.030 . 1 . . . . 45 GLU HA . 10277 1 510 . 1 1 45 45 GLU HB2 H 1 2.356 0.030 . 2 . . . . 45 GLU HB2 . 10277 1 511 . 1 1 45 45 GLU HB3 H 1 2.073 0.030 . 2 . . . . 45 GLU HB3 . 10277 1 512 . 1 1 45 45 GLU HG2 H 1 2.311 0.030 . 2 . . . . 45 GLU HG2 . 10277 1 513 . 1 1 45 45 GLU HG3 H 1 2.394 0.030 . 2 . . . . 45 GLU HG3 . 10277 1 514 . 1 1 45 45 GLU C C 13 177.990 0.300 . 1 . . . . 45 GLU C . 10277 1 515 . 1 1 45 45 GLU CA C 13 60.293 0.300 . 1 . . . . 45 GLU CA . 10277 1 516 . 1 1 45 45 GLU CB C 13 30.235 0.300 . 1 . . . . 45 GLU CB . 10277 1 517 . 1 1 45 45 GLU CG C 13 36.087 0.300 . 1 . . . . 45 GLU CG . 10277 1 518 . 1 1 45 45 GLU N N 15 120.441 0.300 . 1 . . . . 45 GLU N . 10277 1 519 . 1 1 46 46 GLU H H 1 9.698 0.030 . 1 . . . . 46 GLU H . 10277 1 520 . 1 1 46 46 GLU HA H 1 4.243 0.030 . 1 . . . . 46 GLU HA . 10277 1 521 . 1 1 46 46 GLU HB2 H 1 2.130 0.030 . 1 . . . . 46 GLU HB2 . 10277 1 522 . 1 1 46 46 GLU HB3 H 1 2.130 0.030 . 1 . . . . 46 GLU HB3 . 10277 1 523 . 1 1 46 46 GLU HG2 H 1 2.392 0.030 . 1 . . . . 46 GLU HG2 . 10277 1 524 . 1 1 46 46 GLU HG3 H 1 2.392 0.030 . 1 . . . . 46 GLU HG3 . 10277 1 525 . 1 1 46 46 GLU C C 13 176.547 0.300 . 1 . . . . 46 GLU C . 10277 1 526 . 1 1 46 46 GLU CA C 13 58.693 0.300 . 1 . . . . 46 GLU CA . 10277 1 527 . 1 1 46 46 GLU CB C 13 28.448 0.300 . 1 . . . . 46 GLU CB . 10277 1 528 . 1 1 46 46 GLU CG C 13 35.819 0.300 . 1 . . . . 46 GLU CG . 10277 1 529 . 1 1 46 46 GLU N N 15 117.193 0.300 . 1 . . . . 46 GLU N . 10277 1 530 . 1 1 47 47 ASN H H 1 8.119 0.030 . 1 . . . . 47 ASN H . 10277 1 531 . 1 1 47 47 ASN HA H 1 4.922 0.030 . 1 . . . . 47 ASN HA . 10277 1 532 . 1 1 47 47 ASN HB2 H 1 3.255 0.030 . 2 . . . . 47 ASN HB2 . 10277 1 533 . 1 1 47 47 ASN HB3 H 1 3.005 0.030 . 2 . . . . 47 ASN HB3 . 10277 1 534 . 1 1 47 47 ASN HD21 H 1 6.945 0.030 . 2 . . . . 47 ASN HD21 . 10277 1 535 . 1 1 47 47 ASN HD22 H 1 8.084 0.030 . 2 . . . . 47 ASN HD22 . 10277 1 536 . 1 1 47 47 ASN C C 13 175.293 0.300 . 1 . . . . 47 ASN C . 10277 1 537 . 1 1 47 47 ASN CA C 13 52.430 0.300 . 1 . . . . 47 ASN CA . 10277 1 538 . 1 1 47 47 ASN CB C 13 38.439 0.300 . 1 . . . . 47 ASN CB . 10277 1 539 . 1 1 47 47 ASN N N 15 118.023 0.300 . 1 . . . . 47 ASN N . 10277 1 540 . 1 1 47 47 ASN ND2 N 15 109.786 0.300 . 1 . . . . 47 ASN ND2 . 10277 1 541 . 1 1 48 48 ILE H H 1 7.695 0.030 . 1 . . . . 48 ILE H . 10277 1 542 . 1 1 48 48 ILE HA H 1 4.075 0.030 . 1 . . . . 48 ILE HA . 10277 1 543 . 1 1 48 48 ILE HB H 1 2.195 0.030 . 1 . . . . 48 ILE HB . 10277 1 544 . 1 1 48 48 ILE HD11 H 1 0.506 0.030 . 1 . . . . 48 ILE HD1 . 10277 1 545 . 1 1 48 48 ILE HD12 H 1 0.506 0.030 . 1 . . . . 48 ILE HD1 . 10277 1 546 . 1 1 48 48 ILE HD13 H 1 0.506 0.030 . 1 . . . . 48 ILE HD1 . 10277 1 547 . 1 1 48 48 ILE HG12 H 1 1.210 0.030 . 2 . . . . 48 ILE HG12 . 10277 1 548 . 1 1 48 48 ILE HG13 H 1 1.360 0.030 . 2 . . . . 48 ILE HG13 . 10277 1 549 . 1 1 48 48 ILE HG21 H 1 0.658 0.030 . 1 . . . . 48 ILE HG2 . 10277 1 550 . 1 1 48 48 ILE HG22 H 1 0.658 0.030 . 1 . . . . 48 ILE HG2 . 10277 1 551 . 1 1 48 48 ILE HG23 H 1 0.658 0.030 . 1 . . . . 48 ILE HG2 . 10277 1 552 . 1 1 48 48 ILE C C 13 175.029 0.300 . 1 . . . . 48 ILE C . 10277 1 553 . 1 1 48 48 ILE CA C 13 59.749 0.300 . 1 . . . . 48 ILE CA . 10277 1 554 . 1 1 48 48 ILE CB C 13 35.109 0.300 . 1 . . . . 48 ILE CB . 10277 1 555 . 1 1 48 48 ILE CD1 C 13 10.988 0.300 . 1 . . . . 48 ILE CD1 . 10277 1 556 . 1 1 48 48 ILE CG1 C 13 26.668 0.300 . 1 . . . . 48 ILE CG1 . 10277 1 557 . 1 1 48 48 ILE CG2 C 13 17.958 0.300 . 1 . . . . 48 ILE CG2 . 10277 1 558 . 1 1 48 48 ILE N N 15 121.906 0.300 . 1 . . . . 48 ILE N . 10277 1 559 . 1 1 49 49 LEU H H 1 8.137 0.030 . 1 . . . . 49 LEU H . 10277 1 560 . 1 1 49 49 LEU HA H 1 4.286 0.030 . 1 . . . . 49 LEU HA . 10277 1 561 . 1 1 49 49 LEU HB2 H 1 1.705 0.030 . 2 . . . . 49 LEU HB2 . 10277 1 562 . 1 1 49 49 LEU HB3 H 1 1.676 0.030 . 2 . . . . 49 LEU HB3 . 10277 1 563 . 1 1 49 49 LEU HD11 H 1 1.014 0.030 . 1 . . . . 49 LEU HD1 . 10277 1 564 . 1 1 49 49 LEU HD12 H 1 1.014 0.030 . 1 . . . . 49 LEU HD1 . 10277 1 565 . 1 1 49 49 LEU HD13 H 1 1.014 0.030 . 1 . . . . 49 LEU HD1 . 10277 1 566 . 1 1 49 49 LEU HD21 H 1 0.886 0.030 . 1 . . . . 49 LEU HD2 . 10277 1 567 . 1 1 49 49 LEU HD22 H 1 0.886 0.030 . 1 . . . . 49 LEU HD2 . 10277 1 568 . 1 1 49 49 LEU HD23 H 1 0.886 0.030 . 1 . . . . 49 LEU HD2 . 10277 1 569 . 1 1 49 49 LEU HG H 1 1.660 0.030 . 1 . . . . 49 LEU HG . 10277 1 570 . 1 1 49 49 LEU C C 13 176.808 0.300 . 1 . . . . 49 LEU C . 10277 1 571 . 1 1 49 49 LEU CA C 13 55.748 0.300 . 1 . . . . 49 LEU CA . 10277 1 572 . 1 1 49 49 LEU CB C 13 42.088 0.300 . 1 . . . . 49 LEU CB . 10277 1 573 . 1 1 49 49 LEU CD1 C 13 25.328 0.300 . 2 . . . . 49 LEU CD1 . 10277 1 574 . 1 1 49 49 LEU CD2 C 13 22.695 0.300 . 2 . . . . 49 LEU CD2 . 10277 1 575 . 1 1 49 49 LEU CG C 13 27.068 0.300 . 1 . . . . 49 LEU CG . 10277 1 576 . 1 1 49 49 LEU N N 15 125.062 0.300 . 1 . . . . 49 LEU N . 10277 1 577 . 1 1 50 50 ASP H H 1 7.284 0.030 . 1 . . . . 50 ASP H . 10277 1 578 . 1 1 50 50 ASP HA H 1 5.077 0.030 . 1 . . . . 50 ASP HA . 10277 1 579 . 1 1 50 50 ASP HB2 H 1 2.596 0.030 . 2 . . . . 50 ASP HB2 . 10277 1 580 . 1 1 50 50 ASP HB3 H 1 2.893 0.030 . 2 . . . . 50 ASP HB3 . 10277 1 581 . 1 1 50 50 ASP C C 13 174.968 0.300 . 1 . . . . 50 ASP C . 10277 1 582 . 1 1 50 50 ASP CA C 13 50.443 0.300 . 1 . . . . 50 ASP CA . 10277 1 583 . 1 1 50 50 ASP CB C 13 41.822 0.300 . 1 . . . . 50 ASP CB . 10277 1 584 . 1 1 50 50 ASP N N 15 118.019 0.300 . 1 . . . . 50 ASP N . 10277 1 585 . 1 1 51 51 PRO HA H 1 4.258 0.030 . 1 . . . . 51 PRO HA . 10277 1 586 . 1 1 51 51 PRO HB2 H 1 2.430 0.030 . 2 . . . . 51 PRO HB2 . 10277 1 587 . 1 1 51 51 PRO HB3 H 1 2.024 0.030 . 2 . . . . 51 PRO HB3 . 10277 1 588 . 1 1 51 51 PRO HD2 H 1 4.073 0.030 . 1 . . . . 51 PRO HD2 . 10277 1 589 . 1 1 51 51 PRO HD3 H 1 4.073 0.030 . 1 . . . . 51 PRO HD3 . 10277 1 590 . 1 1 51 51 PRO HG2 H 1 2.085 0.030 . 1 . . . . 51 PRO HG2 . 10277 1 591 . 1 1 51 51 PRO HG3 H 1 2.085 0.030 . 1 . . . . 51 PRO HG3 . 10277 1 592 . 1 1 51 51 PRO C C 13 179.037 0.300 . 1 . . . . 51 PRO C . 10277 1 593 . 1 1 51 51 PRO CA C 13 64.372 0.300 . 1 . . . . 51 PRO CA . 10277 1 594 . 1 1 51 51 PRO CB C 13 32.382 0.300 . 1 . . . . 51 PRO CB . 10277 1 595 . 1 1 51 51 PRO CD C 13 51.396 0.300 . 1 . . . . 51 PRO CD . 10277 1 596 . 1 1 51 51 PRO CG C 13 27.125 0.300 . 1 . . . . 51 PRO CG . 10277 1 597 . 1 1 52 52 ARG H H 1 8.253 0.030 . 1 . . . . 52 ARG H . 10277 1 598 . 1 1 52 52 ARG HA H 1 3.995 0.030 . 1 . . . . 52 ARG HA . 10277 1 599 . 1 1 52 52 ARG HB2 H 1 1.953 0.030 . 2 . . . . 52 ARG HB2 . 10277 1 600 . 1 1 52 52 ARG HB3 H 1 1.893 0.030 . 2 . . . . 52 ARG HB3 . 10277 1 601 . 1 1 52 52 ARG HD2 H 1 3.312 0.030 . 2 . . . . 52 ARG HD2 . 10277 1 602 . 1 1 52 52 ARG HD3 H 1 3.242 0.030 . 2 . . . . 52 ARG HD3 . 10277 1 603 . 1 1 52 52 ARG HG2 H 1 1.785 0.030 . 2 . . . . 52 ARG HG2 . 10277 1 604 . 1 1 52 52 ARG HG3 H 1 1.735 0.030 . 2 . . . . 52 ARG HG3 . 10277 1 605 . 1 1 52 52 ARG C C 13 179.774 0.300 . 1 . . . . 52 ARG C . 10277 1 606 . 1 1 52 52 ARG CA C 13 59.255 0.300 . 1 . . . . 52 ARG CA . 10277 1 607 . 1 1 52 52 ARG CB C 13 29.608 0.300 . 1 . . . . 52 ARG CB . 10277 1 608 . 1 1 52 52 ARG CD C 13 43.322 0.300 . 1 . . . . 52 ARG CD . 10277 1 609 . 1 1 52 52 ARG CG C 13 27.289 0.300 . 1 . . . . 52 ARG CG . 10277 1 610 . 1 1 52 52 ARG N N 15 117.657 0.300 . 1 . . . . 52 ARG N . 10277 1 611 . 1 1 53 53 LEU H H 1 7.576 0.030 . 1 . . . . 53 LEU H . 10277 1 612 . 1 1 53 53 LEU HA H 1 4.043 0.030 . 1 . . . . 53 LEU HA . 10277 1 613 . 1 1 53 53 LEU HB2 H 1 1.685 0.030 . 2 . . . . 53 LEU HB2 . 10277 1 614 . 1 1 53 53 LEU HB3 H 1 1.316 0.030 . 2 . . . . 53 LEU HB3 . 10277 1 615 . 1 1 53 53 LEU HD11 H 1 0.787 0.030 . 1 . . . . 53 LEU HD1 . 10277 1 616 . 1 1 53 53 LEU HD12 H 1 0.787 0.030 . 1 . . . . 53 LEU HD1 . 10277 1 617 . 1 1 53 53 LEU HD13 H 1 0.787 0.030 . 1 . . . . 53 LEU HD1 . 10277 1 618 . 1 1 53 53 LEU HD21 H 1 0.656 0.030 . 1 . . . . 53 LEU HD2 . 10277 1 619 . 1 1 53 53 LEU HD22 H 1 0.656 0.030 . 1 . . . . 53 LEU HD2 . 10277 1 620 . 1 1 53 53 LEU HD23 H 1 0.656 0.030 . 1 . . . . 53 LEU HD2 . 10277 1 621 . 1 1 53 53 LEU HG H 1 1.625 0.030 . 1 . . . . 53 LEU HG . 10277 1 622 . 1 1 53 53 LEU C C 13 180.197 0.300 . 1 . . . . 53 LEU C . 10277 1 623 . 1 1 53 53 LEU CA C 13 57.620 0.300 . 1 . . . . 53 LEU CA . 10277 1 624 . 1 1 53 53 LEU CB C 13 42.080 0.300 . 1 . . . . 53 LEU CB . 10277 1 625 . 1 1 53 53 LEU CD1 C 13 25.820 0.300 . 2 . . . . 53 LEU CD1 . 10277 1 626 . 1 1 53 53 LEU CD2 C 13 24.048 0.300 . 2 . . . . 53 LEU CD2 . 10277 1 627 . 1 1 53 53 LEU CG C 13 27.865 0.300 . 1 . . . . 53 LEU CG . 10277 1 628 . 1 1 53 53 LEU N N 15 118.887 0.300 . 1 . . . . 53 LEU N . 10277 1 629 . 1 1 54 54 LEU H H 1 7.185 0.030 . 1 . . . . 54 LEU H . 10277 1 630 . 1 1 54 54 LEU HA H 1 3.966 0.030 . 1 . . . . 54 LEU HA . 10277 1 631 . 1 1 54 54 LEU HB2 H 1 1.604 0.030 . 1 . . . . 54 LEU HB2 . 10277 1 632 . 1 1 54 54 LEU HB3 H 1 1.604 0.030 . 1 . . . . 54 LEU HB3 . 10277 1 633 . 1 1 54 54 LEU HD11 H 1 0.750 0.030 . 1 . . . . 54 LEU HD1 . 10277 1 634 . 1 1 54 54 LEU HD12 H 1 0.750 0.030 . 1 . . . . 54 LEU HD1 . 10277 1 635 . 1 1 54 54 LEU HD13 H 1 0.750 0.030 . 1 . . . . 54 LEU HD1 . 10277 1 636 . 1 1 54 54 LEU HD21 H 1 0.494 0.030 . 1 . . . . 54 LEU HD2 . 10277 1 637 . 1 1 54 54 LEU HD22 H 1 0.494 0.030 . 1 . . . . 54 LEU HD2 . 10277 1 638 . 1 1 54 54 LEU HD23 H 1 0.494 0.030 . 1 . . . . 54 LEU HD2 . 10277 1 639 . 1 1 54 54 LEU HG H 1 1.351 0.030 . 1 . . . . 54 LEU HG . 10277 1 640 . 1 1 54 54 LEU C C 13 178.631 0.300 . 1 . . . . 54 LEU C . 10277 1 641 . 1 1 54 54 LEU CA C 13 57.549 0.300 . 1 . . . . 54 LEU CA . 10277 1 642 . 1 1 54 54 LEU CB C 13 41.646 0.300 . 1 . . . . 54 LEU CB . 10277 1 643 . 1 1 54 54 LEU CD1 C 13 24.518 0.300 . 2 . . . . 54 LEU CD1 . 10277 1 644 . 1 1 54 54 LEU CD2 C 13 23.468 0.300 . 2 . . . . 54 LEU CD2 . 10277 1 645 . 1 1 54 54 LEU CG C 13 27.125 0.300 . 1 . . . . 54 LEU CG . 10277 1 646 . 1 1 54 54 LEU N N 15 119.814 0.300 . 1 . . . . 54 LEU N . 10277 1 647 . 1 1 55 55 LEU H H 1 7.791 0.030 . 1 . . . . 55 LEU H . 10277 1 648 . 1 1 55 55 LEU HA H 1 4.132 0.030 . 1 . . . . 55 LEU HA . 10277 1 649 . 1 1 55 55 LEU HB2 H 1 1.746 0.030 . 2 . . . . 55 LEU HB2 . 10277 1 650 . 1 1 55 55 LEU HB3 H 1 1.616 0.030 . 2 . . . . 55 LEU HB3 . 10277 1 651 . 1 1 55 55 LEU HD11 H 1 0.935 0.030 . 1 . . . . 55 LEU HD1 . 10277 1 652 . 1 1 55 55 LEU HD12 H 1 0.935 0.030 . 1 . . . . 55 LEU HD1 . 10277 1 653 . 1 1 55 55 LEU HD13 H 1 0.935 0.030 . 1 . . . . 55 LEU HD1 . 10277 1 654 . 1 1 55 55 LEU HD21 H 1 0.914 0.030 . 1 . . . . 55 LEU HD2 . 10277 1 655 . 1 1 55 55 LEU HD22 H 1 0.914 0.030 . 1 . . . . 55 LEU HD2 . 10277 1 656 . 1 1 55 55 LEU HD23 H 1 0.914 0.030 . 1 . . . . 55 LEU HD2 . 10277 1 657 . 1 1 55 55 LEU HG H 1 1.705 0.030 . 1 . . . . 55 LEU HG . 10277 1 658 . 1 1 55 55 LEU C C 13 179.501 0.300 . 1 . . . . 55 LEU C . 10277 1 659 . 1 1 55 55 LEU CA C 13 58.007 0.300 . 1 . . . . 55 LEU CA . 10277 1 660 . 1 1 55 55 LEU CB C 13 41.523 0.300 . 1 . . . . 55 LEU CB . 10277 1 661 . 1 1 55 55 LEU CD1 C 13 24.558 0.300 . 2 . . . . 55 LEU CD1 . 10277 1 662 . 1 1 55 55 LEU CD2 C 13 23.717 0.300 . 2 . . . . 55 LEU CD2 . 10277 1 663 . 1 1 55 55 LEU CG C 13 26.960 0.300 . 1 . . . . 55 LEU CG . 10277 1 664 . 1 1 55 55 LEU N N 15 120.290 0.300 . 1 . . . . 55 LEU N . 10277 1 665 . 1 1 56 56 ALA H H 1 7.771 0.030 . 1 . . . . 56 ALA H . 10277 1 666 . 1 1 56 56 ALA HA H 1 4.145 0.030 . 1 . . . . 56 ALA HA . 10277 1 667 . 1 1 56 56 ALA HB1 H 1 1.525 0.030 . 1 . . . . 56 ALA HB . 10277 1 668 . 1 1 56 56 ALA HB2 H 1 1.525 0.030 . 1 . . . . 56 ALA HB . 10277 1 669 . 1 1 56 56 ALA HB3 H 1 1.525 0.030 . 1 . . . . 56 ALA HB . 10277 1 670 . 1 1 56 56 ALA C C 13 180.157 0.300 . 1 . . . . 56 ALA C . 10277 1 671 . 1 1 56 56 ALA CA C 13 54.963 0.300 . 1 . . . . 56 ALA CA . 10277 1 672 . 1 1 56 56 ALA CB C 13 18.232 0.300 . 1 . . . . 56 ALA CB . 10277 1 673 . 1 1 56 56 ALA N N 15 119.874 0.300 . 1 . . . . 56 ALA N . 10277 1 674 . 1 1 57 57 PHE H H 1 7.526 0.030 . 1 . . . . 57 PHE H . 10277 1 675 . 1 1 57 57 PHE HA H 1 4.451 0.030 . 1 . . . . 57 PHE HA . 10277 1 676 . 1 1 57 57 PHE HB2 H 1 3.286 0.030 . 2 . . . . 57 PHE HB2 . 10277 1 677 . 1 1 57 57 PHE HB3 H 1 3.069 0.030 . 2 . . . . 57 PHE HB3 . 10277 1 678 . 1 1 57 57 PHE HD1 H 1 7.213 0.030 . 1 . . . . 57 PHE HD1 . 10277 1 679 . 1 1 57 57 PHE HD2 H 1 7.213 0.030 . 1 . . . . 57 PHE HD2 . 10277 1 680 . 1 1 57 57 PHE HE1 H 1 7.196 0.030 . 1 . . . . 57 PHE HE1 . 10277 1 681 . 1 1 57 57 PHE HE2 H 1 7.196 0.030 . 1 . . . . 57 PHE HE2 . 10277 1 682 . 1 1 57 57 PHE HZ H 1 7.215 0.030 . 1 . . . . 57 PHE HZ . 10277 1 683 . 1 1 57 57 PHE C C 13 176.838 0.300 . 1 . . . . 57 PHE C . 10277 1 684 . 1 1 57 57 PHE CA C 13 60.822 0.300 . 1 . . . . 57 PHE CA . 10277 1 685 . 1 1 57 57 PHE CB C 13 39.878 0.300 . 1 . . . . 57 PHE CB . 10277 1 686 . 1 1 57 57 PHE CD1 C 13 132.150 0.300 . 1 . . . . 57 PHE CD1 . 10277 1 687 . 1 1 57 57 PHE CD2 C 13 132.150 0.300 . 1 . . . . 57 PHE CD2 . 10277 1 688 . 1 1 57 57 PHE CE1 C 13 130.978 0.300 . 1 . . . . 57 PHE CE1 . 10277 1 689 . 1 1 57 57 PHE CE2 C 13 130.978 0.300 . 1 . . . . 57 PHE CE2 . 10277 1 690 . 1 1 57 57 PHE CZ C 13 129.276 0.300 . 1 . . . . 57 PHE CZ . 10277 1 691 . 1 1 57 57 PHE N N 15 119.210 0.300 . 1 . . . . 57 PHE N . 10277 1 692 . 1 1 58 58 GLN H H 1 8.415 0.030 . 1 . . . . 58 GLN H . 10277 1 693 . 1 1 58 58 GLN HA H 1 3.874 0.030 . 1 . . . . 58 GLN HA . 10277 1 694 . 1 1 58 58 GLN HB2 H 1 2.255 0.030 . 2 . . . . 58 GLN HB2 . 10277 1 695 . 1 1 58 58 GLN HB3 H 1 2.086 0.030 . 2 . . . . 58 GLN HB3 . 10277 1 696 . 1 1 58 58 GLN HE21 H 1 6.855 0.030 . 2 . . . . 58 GLN HE21 . 10277 1 697 . 1 1 58 58 GLN HE22 H 1 7.372 0.030 . 2 . . . . 58 GLN HE22 . 10277 1 698 . 1 1 58 58 GLN HG2 H 1 2.636 0.030 . 2 . . . . 58 GLN HG2 . 10277 1 699 . 1 1 58 58 GLN HG3 H 1 2.499 0.030 . 2 . . . . 58 GLN HG3 . 10277 1 700 . 1 1 58 58 GLN C C 13 178.639 0.300 . 1 . . . . 58 GLN C . 10277 1 701 . 1 1 58 58 GLN CA C 13 58.499 0.300 . 1 . . . . 58 GLN CA . 10277 1 702 . 1 1 58 58 GLN CB C 13 28.325 0.300 . 1 . . . . 58 GLN CB . 10277 1 703 . 1 1 58 58 GLN CG C 13 34.228 0.300 . 1 . . . . 58 GLN CG . 10277 1 704 . 1 1 58 58 GLN N N 15 118.702 0.300 . 1 . . . . 58 GLN N . 10277 1 705 . 1 1 58 58 GLN NE2 N 15 110.334 0.300 . 1 . . . . 58 GLN NE2 . 10277 1 706 . 1 1 59 59 LYS H H 1 7.918 0.030 . 1 . . . . 59 LYS H . 10277 1 707 . 1 1 59 59 LYS HA H 1 4.121 0.030 . 1 . . . . 59 LYS HA . 10277 1 708 . 1 1 59 59 LYS HB2 H 1 1.900 0.030 . 1 . . . . 59 LYS HB2 . 10277 1 709 . 1 1 59 59 LYS HB3 H 1 1.900 0.030 . 1 . . . . 59 LYS HB3 . 10277 1 710 . 1 1 59 59 LYS HD2 H 1 1.699 0.030 . 1 . . . . 59 LYS HD2 . 10277 1 711 . 1 1 59 59 LYS HD3 H 1 1.699 0.030 . 1 . . . . 59 LYS HD3 . 10277 1 712 . 1 1 59 59 LYS HE2 H 1 2.993 0.030 . 1 . . . . 59 LYS HE2 . 10277 1 713 . 1 1 59 59 LYS HE3 H 1 2.993 0.030 . 1 . . . . 59 LYS HE3 . 10277 1 714 . 1 1 59 59 LYS HG2 H 1 1.455 0.030 . 2 . . . . 59 LYS HG2 . 10277 1 715 . 1 1 59 59 LYS HG3 H 1 1.575 0.030 . 2 . . . . 59 LYS HG3 . 10277 1 716 . 1 1 59 59 LYS C C 13 178.269 0.300 . 1 . . . . 59 LYS C . 10277 1 717 . 1 1 59 59 LYS CA C 13 58.921 0.300 . 1 . . . . 59 LYS CA . 10277 1 718 . 1 1 59 59 LYS CB C 13 32.437 0.300 . 1 . . . . 59 LYS CB . 10277 1 719 . 1 1 59 59 LYS CD C 13 29.295 0.300 . 1 . . . . 59 LYS CD . 10277 1 720 . 1 1 59 59 LYS CE C 13 42.253 0.300 . 1 . . . . 59 LYS CE . 10277 1 721 . 1 1 59 59 LYS CG C 13 25.316 0.300 . 1 . . . . 59 LYS CG . 10277 1 722 . 1 1 59 59 LYS N N 15 119.131 0.300 . 1 . . . . 59 LYS N . 10277 1 723 . 1 1 60 60 LYS H H 1 7.595 0.030 . 1 . . . . 60 LYS H . 10277 1 724 . 1 1 60 60 LYS HA H 1 4.133 0.030 . 1 . . . . 60 LYS HA . 10277 1 725 . 1 1 60 60 LYS HB2 H 1 1.884 0.030 . 1 . . . . 60 LYS HB2 . 10277 1 726 . 1 1 60 60 LYS HB3 H 1 1.884 0.030 . 1 . . . . 60 LYS HB3 . 10277 1 727 . 1 1 60 60 LYS HD2 H 1 1.745 0.030 . 1 . . . . 60 LYS HD2 . 10277 1 728 . 1 1 60 60 LYS HD3 H 1 1.745 0.030 . 1 . . . . 60 LYS HD3 . 10277 1 729 . 1 1 60 60 LYS HE2 H 1 3.039 0.030 . 1 . . . . 60 LYS HE2 . 10277 1 730 . 1 1 60 60 LYS HE3 H 1 3.039 0.030 . 1 . . . . 60 LYS HE3 . 10277 1 731 . 1 1 60 60 LYS HG2 H 1 1.555 0.030 . 2 . . . . 60 LYS HG2 . 10277 1 732 . 1 1 60 60 LYS HG3 H 1 1.465 0.030 . 2 . . . . 60 LYS HG3 . 10277 1 733 . 1 1 60 60 LYS C C 13 178.836 0.300 . 1 . . . . 60 LYS C . 10277 1 734 . 1 1 60 60 LYS CA C 13 58.323 0.300 . 1 . . . . 60 LYS CA . 10277 1 735 . 1 1 60 60 LYS CB C 13 32.150 0.300 . 1 . . . . 60 LYS CB . 10277 1 736 . 1 1 60 60 LYS CD C 13 29.098 0.300 . 1 . . . . 60 LYS CD . 10277 1 737 . 1 1 60 60 LYS CE C 13 42.171 0.300 . 1 . . . . 60 LYS CE . 10277 1 738 . 1 1 60 60 LYS CG C 13 24.740 0.300 . 1 . . . . 60 LYS CG . 10277 1 739 . 1 1 60 60 LYS N N 15 120.016 0.300 . 1 . . . . 60 LYS N . 10277 1 740 . 1 1 61 61 GLU H H 1 8.095 0.030 . 1 . . . . 61 GLU H . 10277 1 741 . 1 1 61 61 GLU HA H 1 3.936 0.030 . 1 . . . . 61 GLU HA . 10277 1 742 . 1 1 61 61 GLU HB2 H 1 1.803 0.030 . 1 . . . . 61 GLU HB2 . 10277 1 743 . 1 1 61 61 GLU HB3 H 1 1.803 0.030 . 1 . . . . 61 GLU HB3 . 10277 1 744 . 1 1 61 61 GLU HG2 H 1 1.795 0.030 . 2 . . . . 61 GLU HG2 . 10277 1 745 . 1 1 61 61 GLU HG3 H 1 1.694 0.030 . 2 . . . . 61 GLU HG3 . 10277 1 746 . 1 1 61 61 GLU C C 13 178.233 0.300 . 1 . . . . 61 GLU C . 10277 1 747 . 1 1 61 61 GLU CA C 13 58.605 0.300 . 1 . . . . 61 GLU CA . 10277 1 748 . 1 1 61 61 GLU CB C 13 29.806 0.300 . 1 . . . . 61 GLU CB . 10277 1 749 . 1 1 61 61 GLU CG C 13 36.745 0.300 . 1 . . . . 61 GLU CG . 10277 1 750 . 1 1 61 61 GLU N N 15 119.560 0.300 . 1 . . . . 61 GLU N . 10277 1 751 . 1 1 62 62 HIS H H 1 8.037 0.030 . 1 . . . . 62 HIS H . 10277 1 752 . 1 1 62 62 HIS HA H 1 4.517 0.030 . 1 . . . . 62 HIS HA . 10277 1 753 . 1 1 62 62 HIS HB2 H 1 3.186 0.030 . 2 . . . . 62 HIS HB2 . 10277 1 754 . 1 1 62 62 HIS HB3 H 1 3.285 0.030 . 2 . . . . 62 HIS HB3 . 10277 1 755 . 1 1 62 62 HIS HD2 H 1 7.114 0.030 . 1 . . . . 62 HIS HD2 . 10277 1 756 . 1 1 62 62 HIS HE1 H 1 8.018 0.030 . 1 . . . . 62 HIS HE1 . 10277 1 757 . 1 1 62 62 HIS C C 13 176.449 0.300 . 1 . . . . 62 HIS C . 10277 1 758 . 1 1 62 62 HIS CA C 13 57.740 0.300 . 1 . . . . 62 HIS CA . 10277 1 759 . 1 1 62 62 HIS CB C 13 29.928 0.300 . 1 . . . . 62 HIS CB . 10277 1 760 . 1 1 62 62 HIS CD2 C 13 120.338 0.300 . 1 . . . . 62 HIS CD2 . 10277 1 761 . 1 1 62 62 HIS CE1 C 13 137.918 0.300 . 1 . . . . 62 HIS CE1 . 10277 1 762 . 1 1 62 62 HIS N N 15 118.437 0.300 . 1 . . . . 62 HIS N . 10277 1 763 . 1 1 63 63 GLU H H 1 8.010 0.030 . 1 . . . . 63 GLU H . 10277 1 764 . 1 1 63 63 GLU HA H 1 4.096 0.030 . 1 . . . . 63 GLU HA . 10277 1 765 . 1 1 63 63 GLU HB2 H 1 2.078 0.030 . 1 . . . . 63 GLU HB2 . 10277 1 766 . 1 1 63 63 GLU HB3 H 1 2.078 0.030 . 1 . . . . 63 GLU HB3 . 10277 1 767 . 1 1 63 63 GLU HG2 H 1 2.425 0.030 . 2 . . . . 63 GLU HG2 . 10277 1 768 . 1 1 63 63 GLU HG3 H 1 2.273 0.030 . 2 . . . . 63 GLU HG3 . 10277 1 769 . 1 1 63 63 GLU C C 13 177.485 0.300 . 1 . . . . 63 GLU C . 10277 1 770 . 1 1 63 63 GLU CA C 13 57.954 0.300 . 1 . . . . 63 GLU CA . 10277 1 771 . 1 1 63 63 GLU CB C 13 29.783 0.300 . 1 . . . . 63 GLU CB . 10277 1 772 . 1 1 63 63 GLU CG C 13 36.562 0.300 . 1 . . . . 63 GLU CG . 10277 1 773 . 1 1 63 63 GLU N N 15 119.622 0.300 . 1 . . . . 63 GLU N . 10277 1 774 . 1 1 64 64 LYS H H 1 7.874 0.030 . 1 . . . . 64 LYS H . 10277 1 775 . 1 1 64 64 LYS HA H 1 4.213 0.030 . 1 . . . . 64 LYS HA . 10277 1 776 . 1 1 64 64 LYS HB2 H 1 1.865 0.030 . 1 . . . . 64 LYS HB2 . 10277 1 777 . 1 1 64 64 LYS HB3 H 1 1.865 0.030 . 1 . . . . 64 LYS HB3 . 10277 1 778 . 1 1 64 64 LYS HD2 H 1 1.708 0.030 . 1 . . . . 64 LYS HD2 . 10277 1 779 . 1 1 64 64 LYS HD3 H 1 1.708 0.030 . 1 . . . . 64 LYS HD3 . 10277 1 780 . 1 1 64 64 LYS HE2 H 1 3.010 0.030 . 1 . . . . 64 LYS HE2 . 10277 1 781 . 1 1 64 64 LYS HE3 H 1 3.010 0.030 . 1 . . . . 64 LYS HE3 . 10277 1 782 . 1 1 64 64 LYS HG2 H 1 1.465 0.030 . 2 . . . . 64 LYS HG2 . 10277 1 783 . 1 1 64 64 LYS HG3 H 1 1.546 0.030 . 2 . . . . 64 LYS HG3 . 10277 1 784 . 1 1 64 64 LYS C C 13 177.341 0.300 . 1 . . . . 64 LYS C . 10277 1 785 . 1 1 64 64 LYS CA C 13 57.479 0.300 . 1 . . . . 64 LYS CA . 10277 1 786 . 1 1 64 64 LYS CB C 13 32.684 0.300 . 1 . . . . 64 LYS CB . 10277 1 787 . 1 1 64 64 LYS CD C 13 29.345 0.300 . 1 . . . . 64 LYS CD . 10277 1 788 . 1 1 64 64 LYS CE C 13 42.089 0.300 . 1 . . . . 64 LYS CE . 10277 1 789 . 1 1 64 64 LYS CG C 13 24.823 0.300 . 1 . . . . 64 LYS CG . 10277 1 790 . 1 1 64 64 LYS N N 15 119.617 0.300 . 1 . . . . 64 LYS N . 10277 1 791 . 1 1 65 65 GLU H H 1 8.044 0.030 . 1 . . . . 65 GLU H . 10277 1 792 . 1 1 65 65 GLU HA H 1 4.236 0.030 . 1 . . . . 65 GLU HA . 10277 1 793 . 1 1 65 65 GLU HB2 H 1 2.064 0.030 . 1 . . . . 65 GLU HB2 . 10277 1 794 . 1 1 65 65 GLU HB3 H 1 2.064 0.030 . 1 . . . . 65 GLU HB3 . 10277 1 795 . 1 1 65 65 GLU HG2 H 1 2.266 0.030 . 2 . . . . 65 GLU HG2 . 10277 1 796 . 1 1 65 65 GLU HG3 H 1 2.356 0.030 . 2 . . . . 65 GLU HG3 . 10277 1 797 . 1 1 65 65 GLU C C 13 177.451 0.300 . 1 . . . . 65 GLU C . 10277 1 798 . 1 1 65 65 GLU CA C 13 57.426 0.300 . 1 . . . . 65 GLU CA . 10277 1 799 . 1 1 65 65 GLU CB C 13 29.971 0.300 . 1 . . . . 65 GLU CB . 10277 1 800 . 1 1 65 65 GLU CG C 13 36.308 0.300 . 1 . . . . 65 GLU CG . 10277 1 801 . 1 1 65 65 GLU N N 15 120.606 0.300 . 1 . . . . 65 GLU N . 10277 1 802 . 1 1 66 66 VAL H H 1 8.028 0.030 . 1 . . . . 66 VAL H . 10277 1 803 . 1 1 66 66 VAL HA H 1 4.035 0.030 . 1 . . . . 66 VAL HA . 10277 1 804 . 1 1 66 66 VAL HB H 1 2.082 0.030 . 1 . . . . 66 VAL HB . 10277 1 805 . 1 1 66 66 VAL HG11 H 1 0.907 0.030 . 1 . . . . 66 VAL HG1 . 10277 1 806 . 1 1 66 66 VAL HG12 H 1 0.907 0.030 . 1 . . . . 66 VAL HG1 . 10277 1 807 . 1 1 66 66 VAL HG13 H 1 0.907 0.030 . 1 . . . . 66 VAL HG1 . 10277 1 808 . 1 1 66 66 VAL HG21 H 1 0.907 0.030 . 1 . . . . 66 VAL HG2 . 10277 1 809 . 1 1 66 66 VAL HG22 H 1 0.907 0.030 . 1 . . . . 66 VAL HG2 . 10277 1 810 . 1 1 66 66 VAL HG23 H 1 0.907 0.030 . 1 . . . . 66 VAL HG2 . 10277 1 811 . 1 1 66 66 VAL C C 13 176.848 0.300 . 1 . . . . 66 VAL C . 10277 1 812 . 1 1 66 66 VAL CA C 13 63.160 0.300 . 1 . . . . 66 VAL CA . 10277 1 813 . 1 1 66 66 VAL CB C 13 32.396 0.300 . 1 . . . . 66 VAL CB . 10277 1 814 . 1 1 66 66 VAL CG1 C 13 20.873 0.300 . 2 . . . . 66 VAL CG1 . 10277 1 815 . 1 1 66 66 VAL CG2 C 13 21.165 0.300 . 2 . . . . 66 VAL CG2 . 10277 1 816 . 1 1 66 66 VAL N N 15 119.834 0.300 . 1 . . . . 66 VAL N . 10277 1 817 . 1 1 67 67 GLN H H 1 8.265 0.030 . 1 . . . . 67 GLN H . 10277 1 818 . 1 1 67 67 GLN HA H 1 4.313 0.030 . 1 . . . . 67 GLN HA . 10277 1 819 . 1 1 67 67 GLN HB2 H 1 2.046 0.030 . 2 . . . . 67 GLN HB2 . 10277 1 820 . 1 1 67 67 GLN HB3 H 1 2.131 0.030 . 2 . . . . 67 GLN HB3 . 10277 1 821 . 1 1 67 67 GLN HE21 H 1 6.850 0.030 . 2 . . . . 67 GLN HE21 . 10277 1 822 . 1 1 67 67 GLN HE22 H 1 7.525 0.030 . 2 . . . . 67 GLN HE22 . 10277 1 823 . 1 1 67 67 GLN HG2 H 1 2.406 0.030 . 1 . . . . 67 GLN HG2 . 10277 1 824 . 1 1 67 67 GLN HG3 H 1 2.406 0.030 . 1 . . . . 67 GLN HG3 . 10277 1 825 . 1 1 67 67 GLN C C 13 176.073 0.300 . 1 . . . . 67 GLN C . 10277 1 826 . 1 1 67 67 GLN CA C 13 56.283 0.300 . 1 . . . . 67 GLN CA . 10277 1 827 . 1 1 67 67 GLN CB C 13 29.216 0.300 . 1 . . . . 67 GLN CB . 10277 1 828 . 1 1 67 67 GLN CG C 13 33.815 0.300 . 1 . . . . 67 GLN CG . 10277 1 829 . 1 1 67 67 GLN N N 15 122.698 0.300 . 1 . . . . 67 GLN N . 10277 1 830 . 1 1 67 67 GLN NE2 N 15 112.340 0.300 . 1 . . . . 67 GLN NE2 . 10277 1 831 . 1 1 68 68 ASN H H 1 8.391 0.030 . 1 . . . . 68 ASN H . 10277 1 832 . 1 1 68 68 ASN HA H 1 4.782 0.030 . 1 . . . . 68 ASN HA . 10277 1 833 . 1 1 68 68 ASN HB2 H 1 2.814 0.030 . 2 . . . . 68 ASN HB2 . 10277 1 834 . 1 1 68 68 ASN HB3 H 1 2.898 0.030 . 2 . . . . 68 ASN HB3 . 10277 1 835 . 1 1 68 68 ASN HD21 H 1 6.909 0.030 . 2 . . . . 68 ASN HD21 . 10277 1 836 . 1 1 68 68 ASN HD22 H 1 7.646 0.030 . 2 . . . . 68 ASN HD22 . 10277 1 837 . 1 1 68 68 ASN C C 13 175.242 0.300 . 1 . . . . 68 ASN C . 10277 1 838 . 1 1 68 68 ASN CA C 13 53.487 0.300 . 1 . . . . 68 ASN CA . 10277 1 839 . 1 1 68 68 ASN CB C 13 39.138 0.300 . 1 . . . . 68 ASN CB . 10277 1 840 . 1 1 68 68 ASN N N 15 119.609 0.300 . 1 . . . . 68 ASN N . 10277 1 841 . 1 1 68 68 ASN ND2 N 15 112.991 0.300 . 1 . . . . 68 ASN ND2 . 10277 1 842 . 1 1 69 69 SER H H 1 8.272 0.030 . 1 . . . . 69 SER H . 10277 1 843 . 1 1 69 69 SER HA H 1 4.501 0.030 . 1 . . . . 69 SER HA . 10277 1 844 . 1 1 69 69 SER HB2 H 1 3.924 0.030 . 1 . . . . 69 SER HB2 . 10277 1 845 . 1 1 69 69 SER HB3 H 1 3.924 0.030 . 1 . . . . 69 SER HB3 . 10277 1 846 . 1 1 69 69 SER C C 13 174.630 0.300 . 1 . . . . 69 SER C . 10277 1 847 . 1 1 69 69 SER CA C 13 58.587 0.300 . 1 . . . . 69 SER CA . 10277 1 848 . 1 1 69 69 SER CB C 13 64.174 0.300 . 1 . . . . 69 SER CB . 10277 1 849 . 1 1 69 69 SER N N 15 116.106 0.300 . 1 . . . . 69 SER N . 10277 1 850 . 1 1 70 70 GLY H H 1 8.251 0.030 . 1 . . . . 70 GLY H . 10277 1 851 . 1 1 70 70 GLY HA2 H 1 4.175 0.030 . 2 . . . . 70 GLY HA2 . 10277 1 852 . 1 1 70 70 GLY HA3 H 1 4.144 0.030 . 2 . . . . 70 GLY HA3 . 10277 1 853 . 1 1 70 70 GLY C C 13 171.843 0.300 . 1 . . . . 70 GLY C . 10277 1 854 . 1 1 70 70 GLY CA C 13 44.709 0.300 . 1 . . . . 70 GLY CA . 10277 1 855 . 1 1 70 70 GLY N N 15 110.658 0.300 . 1 . . . . 70 GLY N . 10277 1 856 . 1 1 71 71 PRO HA H 1 4.501 0.030 . 1 . . . . 71 PRO HA . 10277 1 857 . 1 1 71 71 PRO HB2 H 1 2.322 0.030 . 2 . . . . 71 PRO HB2 . 10277 1 858 . 1 1 71 71 PRO HB3 H 1 1.999 0.030 . 2 . . . . 71 PRO HB3 . 10277 1 859 . 1 1 71 71 PRO HD2 H 1 3.659 0.030 . 1 . . . . 71 PRO HD2 . 10277 1 860 . 1 1 71 71 PRO HD3 H 1 3.659 0.030 . 1 . . . . 71 PRO HD3 . 10277 1 861 . 1 1 71 71 PRO HG2 H 1 2.042 0.030 . 1 . . . . 71 PRO HG2 . 10277 1 862 . 1 1 71 71 PRO HG3 H 1 2.042 0.030 . 1 . . . . 71 PRO HG3 . 10277 1 863 . 1 1 71 71 PRO C C 13 177.457 0.300 . 1 . . . . 71 PRO C . 10277 1 864 . 1 1 71 71 PRO CA C 13 63.300 0.300 . 1 . . . . 71 PRO CA . 10277 1 865 . 1 1 71 71 PRO CB C 13 32.008 0.300 . 1 . . . . 71 PRO CB . 10277 1 866 . 1 1 71 71 PRO CD C 13 49.856 0.300 . 1 . . . . 71 PRO CD . 10277 1 867 . 1 1 71 71 PRO CG C 13 27.207 0.300 . 1 . . . . 71 PRO CG . 10277 1 868 . 1 1 72 72 SER H H 1 8.536 0.030 . 1 . . . . 72 SER H . 10277 1 869 . 1 1 72 72 SER CA C 13 58.429 0.300 . 1 . . . . 72 SER CA . 10277 1 870 . 1 1 72 72 SER N N 15 116.458 0.300 . 1 . . . . 72 SER N . 10277 1 stop_ save_