data_5862 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5862 _Entry.Title ; Assignments of death domain of TRADD ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-07-08 _Entry.Accession_date 2003-07-08 _Entry.Last_release_date 2004-02-13 _Entry.Original_release_date 2004-02-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Desiree Tsao . 'H. H.' . 5862 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5862 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 714 5862 '13C chemical shifts' 381 5862 '15N chemical shifts' 122 5862 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 . . 2004-02-13 2003-07-08 original author . 5862 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5862 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14872135 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of 1H, 13C and 15N resonances of the death doamin of TRADD ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 4 _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 407 _Citation.Page_last 408 _Citation.Year 2004 _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 Desiree Tsao . 'H. H.' . 5862 1 2 Wah-Tung Hum . . . 5862 1 3 Sang Hsu . . . 5862 1 4 Michelle Mcguire . . . 5862 1 5 Karl Malakian . . . 5862 1 6 Lih-Ling Lin . . . 5862 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID TNF 5862 1 TRADD 5862 1 'NMR assignments' 5862 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TRADD-DD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TRADD-DD _Assembly.Entry_ID 5862 _Assembly.ID 1 _Assembly.Name 'TRADD death domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5862 1 stop_ 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 'death domain of TRADD-DD' 1 $TRADD-DD . . . native . . . . . 5862 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'TRADD death domain' system 5862 1 TRADD-DD abbreviation 5862 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Self-association 5862 1 'binding to TNFR1-DD' 5862 1 'Rip-DD and FADD-DD' 5862 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TRADD-DD _Entity.Sf_category entity _Entity.Sf_framecode TRADD-DD _Entity.Entry_ID 5862 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'TRADD death 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 ; MPPPAQTFLFQGQPVVNRPL SLKDQQTFARSVGLKWRKVG RSLQRGCRALRDPALDSLAY EYEREGLYEQAFQLLRRFVQ AEGRRATLQRLVEALEENEL TSLAEDLLGLTDPNGGLAHH HHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 2015-01-28 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 DBJ BAG38020 . "unnamed protein product [Homo sapiens]" . . . . . 94.35 312 100.00 100.00 2.64e-74 . . . . 5862 1 2 no DBJ BAG52211 . "unnamed protein product [Homo sapiens]" . . . . . 94.35 252 100.00 100.00 8.74e-75 . . . . 5862 1 3 no DBJ BAJ20315 . "TNFRSF1A-associated via death domain [synthetic construct]" . . . . . 94.35 312 100.00 100.00 2.64e-74 . . . . 5862 1 4 no EMBL CAC38018 . "TNFRSF1A-associated via death domain, TRADD [Homo sapiens]" . . . . . 94.35 312 100.00 100.00 2.64e-74 . . . . 5862 1 5 no GB AAA98482 . "tumor necrosis factor receptor type 1 associated protein, partial [Homo sapiens]" . . . . . 94.35 328 100.00 100.00 5.68e-74 . . . . 5862 1 6 no GB AAH04491 . "TNFRSF1A-associated via death domain [Homo sapiens]" . . . . . 94.35 312 100.00 100.00 2.64e-74 . . . . 5862 1 7 no GB AAP35580 . "TNFRSF1A-associated via death domain [Homo sapiens]" . . . . . 94.35 312 100.00 100.00 2.64e-74 . . . . 5862 1 8 no GB AAP36466 . "Homo sapiens TNFRSF1A-associated via death domain [synthetic construct]" . . . . . 94.35 313 100.00 100.00 2.41e-74 . . . . 5862 1 9 no GB AAS68637 . "TNFRSF1A-associated via death domain [Homo sapiens]" . . . . . 94.35 312 100.00 100.00 2.64e-74 . . . . 5862 1 10 no REF NP_003780 . "tumor necrosis factor receptor type 1-associated DEATH domain protein [Homo sapiens]" . . . . . 94.35 312 100.00 100.00 2.64e-74 . . . . 5862 1 11 no REF XP_002802576 . "PREDICTED: tumor necrosis factor receptor type 1-associated DEATH domain protein-like [Macaca mulatta]" . . . . . 94.35 248 99.15 100.00 1.02e-74 . . . . 5862 1 12 no REF XP_003262922 . "PREDICTED: tumor necrosis factor receptor type 1-associated DEATH domain protein [Nomascus leucogenys]" . . . . . 94.35 311 99.15 100.00 7.40e-74 . . . . 5862 1 13 no REF XP_003812258 . "PREDICTED: LOW QUALITY PROTEIN: tumor necrosis factor receptor type 1-associated DEATH domain protein [Pan paniscus]" . . . . . 94.35 312 100.00 100.00 2.64e-74 . . . . 5862 1 14 no REF XP_003917062 . "PREDICTED: tumor necrosis factor receptor type 1-associated DEATH domain protein [Papio anubis]" . . . . . 94.35 308 99.15 100.00 3.90e-74 . . . . 5862 1 15 no SP Q15628 . "RecName: Full=Tumor necrosis factor receptor type 1-associated DEATH domain protein; Short=TNFR1-associated DEATH domain protei" . . . . . 94.35 312 100.00 100.00 2.64e-74 . . . . 5862 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'TRADD death domain' common 5862 1 TRADD-DD abbreviation 5862 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 . MET . 5862 1 2 . PRO . 5862 1 3 . PRO . 5862 1 4 . PRO . 5862 1 5 . ALA . 5862 1 6 . GLN . 5862 1 7 . THR . 5862 1 8 . PHE . 5862 1 9 . LEU . 5862 1 10 . PHE . 5862 1 11 . GLN . 5862 1 12 . GLY . 5862 1 13 . GLN . 5862 1 14 . PRO . 5862 1 15 . VAL . 5862 1 16 . VAL . 5862 1 17 . ASN . 5862 1 18 . ARG . 5862 1 19 . PRO . 5862 1 20 . LEU . 5862 1 21 . SER . 5862 1 22 . LEU . 5862 1 23 . LYS . 5862 1 24 . ASP . 5862 1 25 . GLN . 5862 1 26 . GLN . 5862 1 27 . THR . 5862 1 28 . PHE . 5862 1 29 . ALA . 5862 1 30 . ARG . 5862 1 31 . SER . 5862 1 32 . VAL . 5862 1 33 . GLY . 5862 1 34 . LEU . 5862 1 35 . LYS . 5862 1 36 . TRP . 5862 1 37 . ARG . 5862 1 38 . LYS . 5862 1 39 . VAL . 5862 1 40 . GLY . 5862 1 41 . ARG . 5862 1 42 . SER . 5862 1 43 . LEU . 5862 1 44 . GLN . 5862 1 45 . ARG . 5862 1 46 . GLY . 5862 1 47 . CYS . 5862 1 48 . ARG . 5862 1 49 . ALA . 5862 1 50 . LEU . 5862 1 51 . ARG . 5862 1 52 . ASP . 5862 1 53 . PRO . 5862 1 54 . ALA . 5862 1 55 . LEU . 5862 1 56 . ASP . 5862 1 57 . SER . 5862 1 58 . LEU . 5862 1 59 . ALA . 5862 1 60 . TYR . 5862 1 61 . GLU . 5862 1 62 . TYR . 5862 1 63 . GLU . 5862 1 64 . ARG . 5862 1 65 . GLU . 5862 1 66 . GLY . 5862 1 67 . LEU . 5862 1 68 . TYR . 5862 1 69 . GLU . 5862 1 70 . GLN . 5862 1 71 . ALA . 5862 1 72 . PHE . 5862 1 73 . GLN . 5862 1 74 . LEU . 5862 1 75 . LEU . 5862 1 76 . ARG . 5862 1 77 . ARG . 5862 1 78 . PHE . 5862 1 79 . VAL . 5862 1 80 . GLN . 5862 1 81 . ALA . 5862 1 82 . GLU . 5862 1 83 . GLY . 5862 1 84 . ARG . 5862 1 85 . ARG . 5862 1 86 . ALA . 5862 1 87 . THR . 5862 1 88 . LEU . 5862 1 89 . GLN . 5862 1 90 . ARG . 5862 1 91 . LEU . 5862 1 92 . VAL . 5862 1 93 . GLU . 5862 1 94 . ALA . 5862 1 95 . LEU . 5862 1 96 . GLU . 5862 1 97 . GLU . 5862 1 98 . ASN . 5862 1 99 . GLU . 5862 1 100 . LEU . 5862 1 101 . THR . 5862 1 102 . SER . 5862 1 103 . LEU . 5862 1 104 . ALA . 5862 1 105 . GLU . 5862 1 106 . ASP . 5862 1 107 . LEU . 5862 1 108 . LEU . 5862 1 109 . GLY . 5862 1 110 . LEU . 5862 1 111 . THR . 5862 1 112 . ASP . 5862 1 113 . PRO . 5862 1 114 . ASN . 5862 1 115 . GLY . 5862 1 116 . GLY . 5862 1 117 . LEU . 5862 1 118 . ALA . 5862 1 119 . HIS . 5862 1 120 . HIS . 5862 1 121 . HIS . 5862 1 122 . HIS . 5862 1 123 . HIS . 5862 1 124 . HIS . 5862 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 . MET 1 1 5862 1 . PRO 2 2 5862 1 . PRO 3 3 5862 1 . PRO 4 4 5862 1 . ALA 5 5 5862 1 . GLN 6 6 5862 1 . THR 7 7 5862 1 . PHE 8 8 5862 1 . LEU 9 9 5862 1 . PHE 10 10 5862 1 . GLN 11 11 5862 1 . GLY 12 12 5862 1 . GLN 13 13 5862 1 . PRO 14 14 5862 1 . VAL 15 15 5862 1 . VAL 16 16 5862 1 . ASN 17 17 5862 1 . ARG 18 18 5862 1 . PRO 19 19 5862 1 . LEU 20 20 5862 1 . SER 21 21 5862 1 . LEU 22 22 5862 1 . LYS 23 23 5862 1 . ASP 24 24 5862 1 . GLN 25 25 5862 1 . GLN 26 26 5862 1 . THR 27 27 5862 1 . PHE 28 28 5862 1 . ALA 29 29 5862 1 . ARG 30 30 5862 1 . SER 31 31 5862 1 . VAL 32 32 5862 1 . GLY 33 33 5862 1 . LEU 34 34 5862 1 . LYS 35 35 5862 1 . TRP 36 36 5862 1 . ARG 37 37 5862 1 . LYS 38 38 5862 1 . VAL 39 39 5862 1 . GLY 40 40 5862 1 . ARG 41 41 5862 1 . SER 42 42 5862 1 . LEU 43 43 5862 1 . GLN 44 44 5862 1 . ARG 45 45 5862 1 . GLY 46 46 5862 1 . CYS 47 47 5862 1 . ARG 48 48 5862 1 . ALA 49 49 5862 1 . LEU 50 50 5862 1 . ARG 51 51 5862 1 . ASP 52 52 5862 1 . PRO 53 53 5862 1 . ALA 54 54 5862 1 . LEU 55 55 5862 1 . ASP 56 56 5862 1 . SER 57 57 5862 1 . LEU 58 58 5862 1 . ALA 59 59 5862 1 . TYR 60 60 5862 1 . GLU 61 61 5862 1 . TYR 62 62 5862 1 . GLU 63 63 5862 1 . ARG 64 64 5862 1 . GLU 65 65 5862 1 . GLY 66 66 5862 1 . LEU 67 67 5862 1 . TYR 68 68 5862 1 . GLU 69 69 5862 1 . GLN 70 70 5862 1 . ALA 71 71 5862 1 . PHE 72 72 5862 1 . GLN 73 73 5862 1 . LEU 74 74 5862 1 . LEU 75 75 5862 1 . ARG 76 76 5862 1 . ARG 77 77 5862 1 . PHE 78 78 5862 1 . VAL 79 79 5862 1 . GLN 80 80 5862 1 . ALA 81 81 5862 1 . GLU 82 82 5862 1 . GLY 83 83 5862 1 . ARG 84 84 5862 1 . ARG 85 85 5862 1 . ALA 86 86 5862 1 . THR 87 87 5862 1 . LEU 88 88 5862 1 . GLN 89 89 5862 1 . ARG 90 90 5862 1 . LEU 91 91 5862 1 . VAL 92 92 5862 1 . GLU 93 93 5862 1 . ALA 94 94 5862 1 . LEU 95 95 5862 1 . GLU 96 96 5862 1 . GLU 97 97 5862 1 . ASN 98 98 5862 1 . GLU 99 99 5862 1 . LEU 100 100 5862 1 . THR 101 101 5862 1 . SER 102 102 5862 1 . LEU 103 103 5862 1 . ALA 104 104 5862 1 . GLU 105 105 5862 1 . ASP 106 106 5862 1 . LEU 107 107 5862 1 . LEU 108 108 5862 1 . GLY 109 109 5862 1 . LEU 110 110 5862 1 . THR 111 111 5862 1 . ASP 112 112 5862 1 . PRO 113 113 5862 1 . ASN 114 114 5862 1 . GLY 115 115 5862 1 . GLY 116 116 5862 1 . LEU 117 117 5862 1 . ALA 118 118 5862 1 . HIS 119 119 5862 1 . HIS 120 120 5862 1 . HIS 121 121 5862 1 . HIS 122 122 5862 1 . HIS 123 123 5862 1 . HIS 124 124 5862 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 5862 _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 $TRADD-DD . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5862 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 5862 _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 $TRADD-DD . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5862 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5862 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'TRADD death domain' [U-15N] . . 1 $TRADD-DD . . . 0.6 1.1 mM . . . . 5862 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5862 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'TRADD death domain' '[U-15N; U-13C]' . . 1 $TRADD-DD . . . 0.6 1.1 mM . . . . 5862 2 2 'Sodium Acetate' . . . . . . . 10 . . mM . . . . 5862 2 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 5862 _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 pH 4.2 0.15 n/a 5862 1 temperature 303 1 K 5862 1 'ionic strength' 0.010 0.0001 M 5862 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5862 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5862 _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 NMR_spectrometer BRUKER Avance . 600 . . . 5862 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 5862 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5862 1 2 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5862 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5862 1 4 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5862 1 5 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5862 1 6 CC(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5862 1 7 HCC(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5862 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5862 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5862 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5862 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5862 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5862 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5862 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CC(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5862 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCC(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5862 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5862 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5862 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5862 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5862 _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 $chemical_shift_reference _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 $sample_1 . 5862 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 4 4 PRO CA C 13 62.9800 0.3 . 1 . . . . . . . . 5862 1 2 . 1 1 4 4 PRO HA H 1 4.4400 0.01 . 1 . . . . . . . . 5862 1 3 . 1 1 4 4 PRO CB C 13 32.1100 0.3 . 1 . . . . . . . . 5862 1 4 . 1 1 4 4 PRO HB2 H 1 2.3500 0.01 . 1 . . . . . . . . 5862 1 5 . 1 1 4 4 PRO HB3 H 1 1.9400 0.01 . 1 . . . . . . . . 5862 1 6 . 1 1 4 4 PRO CG C 13 27.0500 0.3 . 1 . . . . . . . . 5862 1 7 . 1 1 4 4 PRO CD C 13 50.6900 0.3 . 1 . . . . . . . . 5862 1 8 . 1 1 4 4 PRO HD2 H 1 3.8600 0.01 . 1 . . . . . . . . 5862 1 9 . 1 1 5 5 ALA H H 1 8.4100 0.01 . 1 . . . . . . . . 5862 1 10 . 1 1 5 5 ALA N N 15 124.4200 0.25 . 1 . . . . . . . . 5862 1 11 . 1 1 5 5 ALA CA C 13 52.4000 0.3 . 1 . . . . . . . . 5862 1 12 . 1 1 5 5 ALA HA H 1 4.3700 0.01 . 1 . . . . . . . . 5862 1 13 . 1 1 5 5 ALA CB C 13 19.6600 0.3 . 1 . . . . . . . . 5862 1 14 . 1 1 5 5 ALA HB1 H 1 1.4700 0.01 . 1 . . . . . . . . 5862 1 15 . 1 1 5 5 ALA HB2 H 1 1.4700 0.01 . 1 . . . . . . . . 5862 1 16 . 1 1 5 5 ALA HB3 H 1 1.4700 0.01 . 1 . . . . . . . . 5862 1 17 . 1 1 6 6 GLN H H 1 8.6500 0.01 . 1 . . . . . . . . 5862 1 18 . 1 1 6 6 GLN N N 15 120.7100 0.25 . 1 . . . . . . . . 5862 1 19 . 1 1 6 6 GLN CA C 13 56.4600 0.3 . 1 . . . . . . . . 5862 1 20 . 1 1 6 6 GLN HA H 1 4.5000 0.01 . 1 . . . . . . . . 5862 1 21 . 1 1 6 6 GLN CB C 13 29.7600 0.3 . 1 . . . . . . . . 5862 1 22 . 1 1 6 6 GLN HB2 H 1 2.3100 0.01 . 1 . . . . . . . . 5862 1 23 . 1 1 6 6 GLN HB3 H 1 2.1200 0.01 . 1 . . . . . . . . 5862 1 24 . 1 1 6 6 GLN CG C 13 34.1300 0.3 . 1 . . . . . . . . 5862 1 25 . 1 1 6 6 GLN HG2 H 1 2.5000 0.01 . 1 . . . . . . . . 5862 1 26 . 1 1 6 6 GLN NE2 N 15 112.4000 0.25 . 1 . . . . . . . . 5862 1 27 . 1 1 6 6 GLN HE21 H 1 6.9100 0.01 . 2 . . . . . . . . 5862 1 28 . 1 1 6 6 GLN HE22 H 1 7.5400 0.01 . 2 . . . . . . . . 5862 1 29 . 1 1 7 7 THR H H 1 8.0800 0.01 . 1 . . . . . . . . 5862 1 30 . 1 1 7 7 THR N N 15 112.7000 0.25 . 1 . . . . . . . . 5862 1 31 . 1 1 7 7 THR CA C 13 59.8800 0.3 . 1 . . . . . . . . 5862 1 32 . 1 1 7 7 THR HA H 1 5.4400 0.01 . 1 . . . . . . . . 5862 1 33 . 1 1 7 7 THR CB C 13 63.8100 0.3 . 1 . . . . . . . . 5862 1 34 . 1 1 7 7 THR HB H 1 3.9900 0.01 . 1 . . . . . . . . 5862 1 35 . 1 1 7 7 THR CG2 C 13 21.6400 0.3 . 1 . . . . . . . . 5862 1 36 . 1 1 7 7 THR HG21 H 1 1.0500 0.01 . 1 . . . . . . . . 5862 1 37 . 1 1 7 7 THR HG22 H 1 1.0500 0.01 . 1 . . . . . . . . 5862 1 38 . 1 1 7 7 THR HG23 H 1 1.0500 0.01 . 1 . . . . . . . . 5862 1 39 . 1 1 8 8 PHE H H 1 9.0600 0.01 . 1 . . . . . . . . 5862 1 40 . 1 1 8 8 PHE N N 15 119.2000 0.25 . 1 . . . . . . . . 5862 1 41 . 1 1 8 8 PHE CA C 13 55.3500 0.3 . 1 . . . . . . . . 5862 1 42 . 1 1 8 8 PHE HA H 1 4.9800 0.01 . 1 . . . . . . . . 5862 1 43 . 1 1 8 8 PHE CB C 13 41.2600 0.3 . 1 . . . . . . . . 5862 1 44 . 1 1 8 8 PHE HB2 H 1 3.1800 0.01 . 1 . . . . . . . . 5862 1 45 . 1 1 8 8 PHE HB3 H 1 2.9300 0.01 . 1 . . . . . . . . 5862 1 46 . 1 1 8 8 PHE CD1 C 13 133.4700 0.3 . 1 . . . . . . . . 5862 1 47 . 1 1 8 8 PHE HD1 H 1 7.0700 0.01 . 1 . . . . . . . . 5862 1 48 . 1 1 8 8 PHE CD2 C 13 133.4700 0.3 . 1 . . . . . . . . 5862 1 49 . 1 1 8 8 PHE HD2 H 1 7.0700 0.01 . 1 . . . . . . . . 5862 1 50 . 1 1 8 8 PHE CE1 C 13 130.3000 0.3 . 1 . . . . . . . . 5862 1 51 . 1 1 8 8 PHE HE1 H 1 7.0500 0.01 . 1 . . . . . . . . 5862 1 52 . 1 1 8 8 PHE CE2 C 13 130.3000 0.3 . 1 . . . . . . . . 5862 1 53 . 1 1 8 8 PHE HE2 H 1 7.0500 0.01 . 1 . . . . . . . . 5862 1 54 . 1 1 8 8 PHE CZ C 13 128.3000 0.3 . 1 . . . . . . . . 5862 1 55 . 1 1 8 8 PHE HZ H 1 6.8300 0.01 . 1 . . . . . . . . 5862 1 56 . 1 1 9 9 LEU H H 1 8.5700 0.01 . 1 . . . . . . . . 5862 1 57 . 1 1 9 9 LEU N N 15 120.0700 0.25 . 1 . . . . . . . . 5862 1 58 . 1 1 9 9 LEU CA C 13 54.1100 0.3 . 1 . . . . . . . . 5862 1 59 . 1 1 9 9 LEU HA H 1 4.7500 0.01 . 1 . . . . . . . . 5862 1 60 . 1 1 9 9 LEU CB C 13 44.1900 0.3 . 1 . . . . . . . . 5862 1 61 . 1 1 9 9 LEU HB2 H 1 1.7800 0.01 . 1 . . . . . . . . 5862 1 62 . 1 1 9 9 LEU HB3 H 1 1.1000 0.01 . 1 . . . . . . . . 5862 1 63 . 1 1 9 9 LEU CG C 13 27.2500 0.3 . 1 . . . . . . . . 5862 1 64 . 1 1 9 9 LEU CD1 C 13 25.0000 0.3 . 2 . . . . . . . . 5862 1 65 . 1 1 9 9 LEU HD11 H 1 0.8000 0.01 . 2 . . . . . . . . 5862 1 66 . 1 1 9 9 LEU HD12 H 1 0.8000 0.01 . 2 . . . . . . . . 5862 1 67 . 1 1 9 9 LEU HD13 H 1 0.8000 0.01 . 2 . . . . . . . . 5862 1 68 . 1 1 9 9 LEU CD2 C 13 23.0800 0.3 . 2 . . . . . . . . 5862 1 69 . 1 1 9 9 LEU HD21 H 1 0.5500 0.01 . 2 . . . . . . . . 5862 1 70 . 1 1 9 9 LEU HD22 H 1 0.5500 0.01 . 2 . . . . . . . . 5862 1 71 . 1 1 9 9 LEU HD23 H 1 0.5500 0.01 . 2 . . . . . . . . 5862 1 72 . 1 1 9 9 LEU HG H 1 1.5300 0.01 . 1 . . . . . . . . 5862 1 73 . 1 1 10 10 PHE H H 1 8.9900 0.01 . 1 . . . . . . . . 5862 1 74 . 1 1 10 10 PHE N N 15 123.6500 0.25 . 1 . . . . . . . . 5862 1 75 . 1 1 10 10 PHE CA C 13 57.4300 0.3 . 1 . . . . . . . . 5862 1 76 . 1 1 10 10 PHE HA H 1 4.7400 0.01 . 1 . . . . . . . . 5862 1 77 . 1 1 10 10 PHE CB C 13 42.0200 0.3 . 1 . . . . . . . . 5862 1 78 . 1 1 10 10 PHE HB2 H 1 2.7900 0.01 . 1 . . . . . . . . 5862 1 79 . 1 1 10 10 PHE HB3 H 1 2.7100 0.01 . 1 . . . . . . . . 5862 1 80 . 1 1 10 10 PHE CD1 C 13 132.5000 0.3 . 1 . . . . . . . . 5862 1 81 . 1 1 10 10 PHE HD1 H 1 7.1900 0.01 . 1 . . . . . . . . 5862 1 82 . 1 1 10 10 PHE CD2 C 13 132.5000 0.3 . 1 . . . . . . . . 5862 1 83 . 1 1 10 10 PHE HD2 H 1 7.1900 0.01 . 1 . . . . . . . . 5862 1 84 . 1 1 10 10 PHE CE1 C 13 131.1000 0.3 . 1 . . . . . . . . 5862 1 85 . 1 1 10 10 PHE HE1 H 1 7.1000 0.01 . 1 . . . . . . . . 5862 1 86 . 1 1 10 10 PHE CE2 C 13 131.1000 0.3 . 1 . . . . . . . . 5862 1 87 . 1 1 10 10 PHE HE2 H 1 7.1000 0.01 . 1 . . . . . . . . 5862 1 88 . 1 1 10 10 PHE CZ C 13 129.2000 0.3 . 1 . . . . . . . . 5862 1 89 . 1 1 10 10 PHE HZ H 1 7.0100 0.01 . 1 . . . . . . . . 5862 1 90 . 1 1 11 11 GLN H H 1 9.1400 0.01 . 1 . . . . . . . . 5862 1 91 . 1 1 11 11 GLN N N 15 126.4400 0.25 . 1 . . . . . . . . 5862 1 92 . 1 1 11 11 GLN CA C 13 56.4700 0.3 . 1 . . . . . . . . 5862 1 93 . 1 1 11 11 GLN HA H 1 3.5500 0.01 . 1 . . . . . . . . 5862 1 94 . 1 1 11 11 GLN CB C 13 25.8500 0.3 . 1 . . . . . . . . 5862 1 95 . 1 1 11 11 GLN HB2 H 1 1.9100 0.01 . 1 . . . . . . . . 5862 1 96 . 1 1 11 11 GLN HB3 H 1 1.6600 0.01 . 1 . . . . . . . . 5862 1 97 . 1 1 11 11 GLN CG C 13 33.4000 0.3 . 1 . . . . . . . . 5862 1 98 . 1 1 11 11 GLN HG2 H 1 1.4900 0.01 . 1 . . . . . . . . 5862 1 99 . 1 1 11 11 GLN HG3 H 1 1.1600 0.01 . 1 . . . . . . . . 5862 1 100 . 1 1 11 11 GLN NE2 N 15 110.8000 0.25 . 1 . . . . . . . . 5862 1 101 . 1 1 11 11 GLN HE21 H 1 6.7600 0.01 . 2 . . . . . . . . 5862 1 102 . 1 1 11 11 GLN HE22 H 1 6.9800 0.01 . 2 . . . . . . . . 5862 1 103 . 1 1 12 12 GLY H H 1 8.3700 0.01 . 1 . . . . . . . . 5862 1 104 . 1 1 12 12 GLY N N 15 102.3100 0.25 . 1 . . . . . . . . 5862 1 105 . 1 1 12 12 GLY CA C 13 45.5000 0.3 . 1 . . . . . . . . 5862 1 106 . 1 1 12 12 GLY HA2 H 1 4.1500 0.01 . 1 . . . . . . . . 5862 1 107 . 1 1 12 12 GLY HA3 H 1 3.5000 0.01 . 1 . . . . . . . . 5862 1 108 . 1 1 13 13 GLN H H 1 7.9200 0.01 . 1 . . . . . . . . 5862 1 109 . 1 1 13 13 GLN N N 15 120.5100 0.25 . 1 . . . . . . . . 5862 1 110 . 1 1 13 13 GLN CA C 13 52.1300 0.3 . 1 . . . . . . . . 5862 1 111 . 1 1 13 13 GLN HA H 1 4.9400 0.01 . 1 . . . . . . . . 5862 1 112 . 1 1 13 13 GLN CB C 13 30.6800 0.3 . 1 . . . . . . . . 5862 1 113 . 1 1 13 13 GLN HB2 H 1 2.1300 0.01 . 1 . . . . . . . . 5862 1 114 . 1 1 13 13 GLN CG C 13 33.3000 0.3 . 1 . . . . . . . . 5862 1 115 . 1 1 13 13 GLN HG2 H 1 2.3400 0.01 . 1 . . . . . . . . 5862 1 116 . 1 1 13 13 GLN NE2 N 15 111.9000 0.25 . 1 . . . . . . . . 5862 1 117 . 1 1 13 13 GLN HE21 H 1 6.8900 0.01 . 2 . . . . . . . . 5862 1 118 . 1 1 13 13 GLN HE22 H 1 7.4700 0.01 . 2 . . . . . . . . 5862 1 119 . 1 1 14 14 PRO CA C 13 62.6100 0.3 . 1 . . . . . . . . 5862 1 120 . 1 1 14 14 PRO HA H 1 4.6600 0.01 . 1 . . . . . . . . 5862 1 121 . 1 1 14 14 PRO CB C 13 31.6900 0.3 . 1 . . . . . . . . 5862 1 122 . 1 1 14 14 PRO HB2 H 1 2.0300 0.01 . 1 . . . . . . . . 5862 1 123 . 1 1 14 14 PRO HB3 H 1 1.7900 0.01 . 1 . . . . . . . . 5862 1 124 . 1 1 14 14 PRO HG2 H 1 2.1800 0.01 . 1 . . . . . . . . 5862 1 125 . 1 1 14 14 PRO HG3 H 1 2.3500 0.01 . 1 . . . . . . . . 5862 1 126 . 1 1 14 14 PRO CD C 13 51.0900 0.3 . 1 . . . . . . . . 5862 1 127 . 1 1 14 14 PRO HD2 H 1 3.7500 0.01 . 1 . . . . . . . . 5862 1 128 . 1 1 15 15 VAL H H 1 9.0100 0.01 . 1 . . . . . . . . 5862 1 129 . 1 1 15 15 VAL N N 15 124.2800 0.25 . 1 . . . . . . . . 5862 1 130 . 1 1 15 15 VAL CA C 13 60.2900 0.3 . 1 . . . . . . . . 5862 1 131 . 1 1 15 15 VAL HA H 1 4.1700 0.01 . 1 . . . . . . . . 5862 1 132 . 1 1 15 15 VAL CB C 13 34.4700 0.3 . 1 . . . . . . . . 5862 1 133 . 1 1 15 15 VAL HB H 1 0.9800 0.01 . 1 . . . . . . . . 5862 1 134 . 1 1 15 15 VAL CG1 C 13 22.8100 0.3 . 1 . . . . . . . . 5862 1 135 . 1 1 15 15 VAL HG11 H 1 0.7600 0.01 . 1 . . . . . . . . 5862 1 136 . 1 1 15 15 VAL HG12 H 1 0.7600 0.01 . 1 . . . . . . . . 5862 1 137 . 1 1 15 15 VAL HG13 H 1 0.7600 0.01 . 1 . . . . . . . . 5862 1 138 . 1 1 15 15 VAL CG2 C 13 20.6600 0.3 . 1 . . . . . . . . 5862 1 139 . 1 1 15 15 VAL HG21 H 1 0.3800 0.01 . 1 . . . . . . . . 5862 1 140 . 1 1 15 15 VAL HG22 H 1 0.3800 0.01 . 1 . . . . . . . . 5862 1 141 . 1 1 15 15 VAL HG23 H 1 0.3800 0.01 . 1 . . . . . . . . 5862 1 142 . 1 1 16 16 VAL H H 1 8.1900 0.01 . 1 . . . . . . . . 5862 1 143 . 1 1 16 16 VAL N N 15 123.9200 0.25 . 1 . . . . . . . . 5862 1 144 . 1 1 16 16 VAL CA C 13 63.9000 0.3 . 1 . . . . . . . . 5862 1 145 . 1 1 16 16 VAL HA H 1 3.9600 0.01 . 1 . . . . . . . . 5862 1 146 . 1 1 16 16 VAL CB C 13 32.2200 0.3 . 1 . . . . . . . . 5862 1 147 . 1 1 16 16 VAL HB H 1 1.9800 0.01 . 1 . . . . . . . . 5862 1 148 . 1 1 16 16 VAL CG1 C 13 22.3000 0.3 . 2 . . . . . . . . 5862 1 149 . 1 1 16 16 VAL HG11 H 1 1.0000 0.01 . 2 . . . . . . . . 5862 1 150 . 1 1 16 16 VAL HG12 H 1 1.0000 0.01 . 2 . . . . . . . . 5862 1 151 . 1 1 16 16 VAL HG13 H 1 1.0000 0.01 . 2 . . . . . . . . 5862 1 152 . 1 1 16 16 VAL CG2 C 13 21.5000 0.3 . 2 . . . . . . . . 5862 1 153 . 1 1 16 16 VAL HG21 H 1 1.0500 0.01 . 2 . . . . . . . . 5862 1 154 . 1 1 16 16 VAL HG22 H 1 1.0500 0.01 . 2 . . . . . . . . 5862 1 155 . 1 1 16 16 VAL HG23 H 1 1.0500 0.01 . 2 . . . . . . . . 5862 1 156 . 1 1 17 17 ASN H H 1 8.6900 0.01 . 1 . . . . . . . . 5862 1 157 . 1 1 17 17 ASN N N 15 125.0100 0.25 . 1 . . . . . . . . 5862 1 158 . 1 1 17 17 ASN CA C 13 51.5200 0.3 . 1 . . . . . . . . 5862 1 159 . 1 1 17 17 ASN HA H 1 5.1200 0.01 . 1 . . . . . . . . 5862 1 160 . 1 1 17 17 ASN CB C 13 39.7700 0.3 . 1 . . . . . . . . 5862 1 161 . 1 1 17 17 ASN HB2 H 1 2.6600 0.01 . 1 . . . . . . . . 5862 1 162 . 1 1 17 17 ASN HB3 H 1 3.0700 0.01 . 1 . . . . . . . . 5862 1 163 . 1 1 17 17 ASN ND2 N 15 110.1000 0.25 . 1 . . . . . . . . 5862 1 164 . 1 1 17 17 ASN HD21 H 1 6.3700 0.01 . 2 . . . . . . . . 5862 1 165 . 1 1 17 17 ASN HD22 H 1 7.8500 0.01 . 2 . . . . . . . . 5862 1 166 . 1 1 18 18 ARG H H 1 7.6300 0.01 . 1 . . . . . . . . 5862 1 167 . 1 1 18 18 ARG N N 15 116.2000 0.25 . 1 . . . . . . . . 5862 1 168 . 1 1 18 18 ARG CA C 13 54.0400 0.3 . 1 . . . . . . . . 5862 1 169 . 1 1 18 18 ARG HA H 1 4.9400 0.01 . 1 . . . . . . . . 5862 1 170 . 1 1 18 18 ARG CB C 13 28.7200 0.3 . 1 . . . . . . . . 5862 1 171 . 1 1 18 18 ARG HB2 H 1 1.6300 0.01 . 1 . . . . . . . . 5862 1 172 . 1 1 18 18 ARG HB3 H 1 2.1800 0.01 . 1 . . . . . . . . 5862 1 173 . 1 1 18 18 ARG HD2 H 1 3.6500 0.01 . 1 . . . . . . . . 5862 1 174 . 1 1 19 19 PRO CA C 13 62.7100 0.3 . 1 . . . . . . . . 5862 1 175 . 1 1 19 19 PRO HA H 1 4.5000 0.01 . 1 . . . . . . . . 5862 1 176 . 1 1 19 19 PRO HB2 H 1 2.0300 0.01 . 1 . . . . . . . . 5862 1 177 . 1 1 19 19 PRO CG C 13 32.5000 0.3 . 1 . . . . . . . . 5862 1 178 . 1 1 19 19 PRO HG2 H 1 1.8300 0.01 . 1 . . . . . . . . 5862 1 179 . 1 1 19 19 PRO HG3 H 1 2.4100 0.01 . 1 . . . . . . . . 5862 1 180 . 1 1 19 19 PRO CD C 13 49.0100 0.3 . 1 . . . . . . . . 5862 1 181 . 1 1 19 19 PRO HD2 H 1 3.8300 0.01 . 1 . . . . . . . . 5862 1 182 . 1 1 19 19 PRO HD3 H 1 3.6300 0.01 . 1 . . . . . . . . 5862 1 183 . 1 1 20 20 LEU H H 1 8.0500 0.01 . 1 . . . . . . . . 5862 1 184 . 1 1 20 20 LEU N N 15 121.4000 0.25 . 1 . . . . . . . . 5862 1 185 . 1 1 20 20 LEU CA C 13 55.1400 0.3 . 1 . . . . . . . . 5862 1 186 . 1 1 20 20 LEU HA H 1 4.5000 0.01 . 1 . . . . . . . . 5862 1 187 . 1 1 20 20 LEU CB C 13 43.2900 0.3 . 1 . . . . . . . . 5862 1 188 . 1 1 20 20 LEU HB2 H 1 1.6200 0.01 . 1 . . . . . . . . 5862 1 189 . 1 1 20 20 LEU HB3 H 1 1.2100 0.01 . 1 . . . . . . . . 5862 1 190 . 1 1 20 20 LEU CG C 13 27.4000 0.3 . 1 . . . . . . . . 5862 1 191 . 1 1 20 20 LEU CD1 C 13 24.2500 0.3 . 2 . . . . . . . . 5862 1 192 . 1 1 20 20 LEU HD11 H 1 0.8500 0.01 . 2 . . . . . . . . 5862 1 193 . 1 1 20 20 LEU HD12 H 1 0.8500 0.01 . 2 . . . . . . . . 5862 1 194 . 1 1 20 20 LEU HD13 H 1 0.8500 0.01 . 2 . . . . . . . . 5862 1 195 . 1 1 20 20 LEU CD2 C 13 26.9200 0.3 . 2 . . . . . . . . 5862 1 196 . 1 1 20 20 LEU HD21 H 1 0.7900 0.01 . 2 . . . . . . . . 5862 1 197 . 1 1 20 20 LEU HD22 H 1 0.7900 0.01 . 2 . . . . . . . . 5862 1 198 . 1 1 20 20 LEU HD23 H 1 0.7900 0.01 . 2 . . . . . . . . 5862 1 199 . 1 1 20 20 LEU HG H 1 1.5500 0.01 . 1 . . . . . . . . 5862 1 200 . 1 1 21 21 SER H H 1 9.8700 0.01 . 1 . . . . . . . . 5862 1 201 . 1 1 21 21 SER N N 15 121.3400 0.25 . 1 . . . . . . . . 5862 1 202 . 1 1 21 21 SER CA C 13 55.8800 0.3 . 1 . . . . . . . . 5862 1 203 . 1 1 21 21 SER HA H 1 4.7900 0.01 . 1 . . . . . . . . 5862 1 204 . 1 1 21 21 SER CB C 13 67.6200 0.3 . 1 . . . . . . . . 5862 1 205 . 1 1 21 21 SER HB2 H 1 4.3900 0.01 . 1 . . . . . . . . 5862 1 206 . 1 1 21 21 SER HB3 H 1 3.9300 0.01 . 1 . . . . . . . . 5862 1 207 . 1 1 22 22 LEU H H 1 8.8000 0.01 . 1 . . . . . . . . 5862 1 208 . 1 1 22 22 LEU N N 15 123.2400 0.25 . 1 . . . . . . . . 5862 1 209 . 1 1 22 22 LEU CA C 13 58.4200 0.3 . 1 . . . . . . . . 5862 1 210 . 1 1 22 22 LEU HA H 1 4.2400 0.01 . 1 . . . . . . . . 5862 1 211 . 1 1 22 22 LEU CB C 13 41.4000 0.3 . 1 . . . . . . . . 5862 1 212 . 1 1 22 22 LEU HB2 H 1 1.7400 0.01 . 1 . . . . . . . . 5862 1 213 . 1 1 22 22 LEU CG C 13 27.5700 0.3 . 1 . . . . . . . . 5862 1 214 . 1 1 22 22 LEU CD1 C 13 24.9400 0.3 . 2 . . . . . . . . 5862 1 215 . 1 1 22 22 LEU HD11 H 1 0.9700 0.01 . 2 . . . . . . . . 5862 1 216 . 1 1 22 22 LEU HD12 H 1 0.9700 0.01 . 2 . . . . . . . . 5862 1 217 . 1 1 22 22 LEU HD13 H 1 0.9700 0.01 . 2 . . . . . . . . 5862 1 218 . 1 1 22 22 LEU CD2 C 13 23.6200 0.3 . 2 . . . . . . . . 5862 1 219 . 1 1 22 22 LEU HD21 H 1 1.1500 0.01 . 2 . . . . . . . . 5862 1 220 . 1 1 22 22 LEU HD22 H 1 1.1500 0.01 . 2 . . . . . . . . 5862 1 221 . 1 1 22 22 LEU HD23 H 1 1.1500 0.01 . 2 . . . . . . . . 5862 1 222 . 1 1 22 22 LEU HG H 1 1.6300 0.01 . 1 . . . . . . . . 5862 1 223 . 1 1 23 23 LYS H H 1 8.1400 0.01 . 1 . . . . . . . . 5862 1 224 . 1 1 23 23 LYS N N 15 119.3900 0.25 . 1 . . . . . . . . 5862 1 225 . 1 1 23 23 LYS CA C 13 59.6000 0.3 . 1 . . . . . . . . 5862 1 226 . 1 1 23 23 LYS HA H 1 4.2000 0.01 . 1 . . . . . . . . 5862 1 227 . 1 1 23 23 LYS CB C 13 32.1900 0.3 . 1 . . . . . . . . 5862 1 228 . 1 1 23 23 LYS HB2 H 1 1.8700 0.01 . 1 . . . . . . . . 5862 1 229 . 1 1 23 23 LYS HB3 H 1 1.7900 0.01 . 1 . . . . . . . . 5862 1 230 . 1 1 23 23 LYS CG C 13 24.6800 0.3 . 1 . . . . . . . . 5862 1 231 . 1 1 23 23 LYS HG2 H 1 1.5000 0.01 . 1 . . . . . . . . 5862 1 232 . 1 1 23 23 LYS CD C 13 30.2900 0.3 . 1 . . . . . . . . 5862 1 233 . 1 1 23 23 LYS CE C 13 42.5900 0.3 . 1 . . . . . . . . 5862 1 234 . 1 1 23 23 LYS HE2 H 1 3.0200 0.01 . 1 . . . . . . . . 5862 1 235 . 1 1 24 24 ASP H H 1 7.9800 0.01 . 1 . . . . . . . . 5862 1 236 . 1 1 24 24 ASP N N 15 120.5600 0.25 . 1 . . . . . . . . 5862 1 237 . 1 1 24 24 ASP CA C 13 57.7700 0.3 . 1 . . . . . . . . 5862 1 238 . 1 1 24 24 ASP HA H 1 4.1800 0.01 . 1 . . . . . . . . 5862 1 239 . 1 1 24 24 ASP CB C 13 41.9100 0.3 . 1 . . . . . . . . 5862 1 240 . 1 1 24 24 ASP HB2 H 1 3.0600 0.01 . 1 . . . . . . . . 5862 1 241 . 1 1 24 24 ASP HB3 H 1 2.3600 0.01 . 1 . . . . . . . . 5862 1 242 . 1 1 25 25 GLN H H 1 7.7800 0.01 . 1 . . . . . . . . 5862 1 243 . 1 1 25 25 GLN N N 15 116.9200 0.25 . 1 . . . . . . . . 5862 1 244 . 1 1 25 25 GLN CA C 13 59.3200 0.3 . 1 . . . . . . . . 5862 1 245 . 1 1 25 25 GLN HA H 1 3.8700 0.01 . 1 . . . . . . . . 5862 1 246 . 1 1 25 25 GLN CB C 13 29.4100 0.3 . 1 . . . . . . . . 5862 1 247 . 1 1 25 25 GLN HB2 H 1 1.9200 0.01 . 1 . . . . . . . . 5862 1 248 . 1 1 25 25 GLN HB3 H 1 2.4300 0.01 . 1 . . . . . . . . 5862 1 249 . 1 1 26 26 GLN H H 1 8.6000 0.01 . 1 . . . . . . . . 5862 1 250 . 1 1 26 26 GLN N N 15 118.0300 0.25 . 1 . . . . . . . . 5862 1 251 . 1 1 26 26 GLN CA C 13 59.4000 0.3 . 1 . . . . . . . . 5862 1 252 . 1 1 26 26 GLN HA H 1 4.2600 0.01 . 1 . . . . . . . . 5862 1 253 . 1 1 26 26 GLN CB C 13 28.9100 0.3 . 1 . . . . . . . . 5862 1 254 . 1 1 26 26 GLN HB2 H 1 2.4200 0.01 . 1 . . . . . . . . 5862 1 255 . 1 1 26 26 GLN HB3 H 1 2.0900 0.01 . 1 . . . . . . . . 5862 1 256 . 1 1 26 26 GLN CG C 13 34.1700 0.3 . 1 . . . . . . . . 5862 1 257 . 1 1 26 26 GLN HG2 H 1 2.3900 0.01 . 1 . . . . . . . . 5862 1 258 . 1 1 26 26 GLN HG3 H 1 2.8000 0.01 . 1 . . . . . . . . 5862 1 259 . 1 1 26 26 GLN NE2 N 15 110.4200 0.25 . 1 . . . . . . . . 5862 1 260 . 1 1 26 26 GLN HE21 H 1 6.8100 0.01 . 2 . . . . . . . . 5862 1 261 . 1 1 26 26 GLN HE22 H 1 7.1600 0.01 . 2 . . . . . . . . 5862 1 262 . 1 1 27 27 THR H H 1 8.6200 0.01 . 1 . . . . . . . . 5862 1 263 . 1 1 27 27 THR N N 15 117.5300 0.25 . 1 . . . . . . . . 5862 1 264 . 1 1 27 27 THR CA C 13 67.1300 0.3 . 1 . . . . . . . . 5862 1 265 . 1 1 27 27 THR HA H 1 3.8900 0.01 . 1 . . . . . . . . 5862 1 266 . 1 1 27 27 THR CB C 13 68.4500 0.3 . 1 . . . . . . . . 5862 1 267 . 1 1 27 27 THR HB H 1 4.2800 0.01 . 1 . . . . . . . . 5862 1 268 . 1 1 27 27 THR CG2 C 13 21.8000 0.3 . 1 . . . . . . . . 5862 1 269 . 1 1 27 27 THR HG21 H 1 1.1500 0.01 . 1 . . . . . . . . 5862 1 270 . 1 1 27 27 THR HG22 H 1 1.1500 0.01 . 1 . . . . . . . . 5862 1 271 . 1 1 27 27 THR HG23 H 1 1.1500 0.01 . 1 . . . . . . . . 5862 1 272 . 1 1 28 28 PHE H H 1 8.4000 0.01 . 1 . . . . . . . . 5862 1 273 . 1 1 28 28 PHE N N 15 120.4000 0.25 . 1 . . . . . . . . 5862 1 274 . 1 1 28 28 PHE CA C 13 61.4100 0.3 . 1 . . . . . . . . 5862 1 275 . 1 1 28 28 PHE HA H 1 4.1700 0.01 . 1 . . . . . . . . 5862 1 276 . 1 1 28 28 PHE CB C 13 39.8900 0.3 . 1 . . . . . . . . 5862 1 277 . 1 1 28 28 PHE HB2 H 1 3.3400 0.01 . 1 . . . . . . . . 5862 1 278 . 1 1 28 28 PHE HB3 H 1 3.0000 0.01 . 1 . . . . . . . . 5862 1 279 . 1 1 28 28 PHE CD1 C 13 132.8000 0.3 . 1 . . . . . . . . 5862 1 280 . 1 1 28 28 PHE HD1 H 1 7.0400 0.01 . 1 . . . . . . . . 5862 1 281 . 1 1 28 28 PHE CD2 C 13 132.8000 0.3 . 1 . . . . . . . . 5862 1 282 . 1 1 28 28 PHE CE1 C 13 131.5000 0.3 . 1 . . . . . . . . 5862 1 283 . 1 1 28 28 PHE HE2 H 1 7.4200 0.01 . 1 . . . . . . . . 5862 1 284 . 1 1 28 28 PHE CZ C 13 128.4000 0.3 . 1 . . . . . . . . 5862 1 285 . 1 1 28 28 PHE HZ H 1 7.0500 0.01 . 1 . . . . . . . . 5862 1 286 . 1 1 29 29 ALA H H 1 8.3000 0.01 . 1 . . . . . . . . 5862 1 287 . 1 1 29 29 ALA N N 15 120.7700 0.25 . 1 . . . . . . . . 5862 1 288 . 1 1 29 29 ALA CA C 13 54.7800 0.3 . 1 . . . . . . . . 5862 1 289 . 1 1 29 29 ALA HA H 1 3.6700 0.01 . 1 . . . . . . . . 5862 1 290 . 1 1 29 29 ALA CB C 13 18.5000 0.3 . 1 . . . . . . . . 5862 1 291 . 1 1 29 29 ALA HB1 H 1 1.1500 0.01 . 1 . . . . . . . . 5862 1 292 . 1 1 29 29 ALA HB2 H 1 1.1500 0.01 . 1 . . . . . . . . 5862 1 293 . 1 1 29 29 ALA HB3 H 1 1.1500 0.01 . 1 . . . . . . . . 5862 1 294 . 1 1 30 30 ARG H H 1 8.1500 0.01 . 1 . . . . . . . . 5862 1 295 . 1 1 30 30 ARG N N 15 114.4600 0.25 . 1 . . . . . . . . 5862 1 296 . 1 1 30 30 ARG CA C 13 58.6000 0.3 . 1 . . . . . . . . 5862 1 297 . 1 1 30 30 ARG HA H 1 4.4100 0.01 . 1 . . . . . . . . 5862 1 298 . 1 1 30 30 ARG CB C 13 31.0700 0.3 . 1 . . . . . . . . 5862 1 299 . 1 1 30 30 ARG HB2 H 1 2.1300 0.01 . 1 . . . . . . . . 5862 1 300 . 1 1 30 30 ARG HB3 H 1 2.0200 0.01 . 1 . . . . . . . . 5862 1 301 . 1 1 30 30 ARG CG C 13 28.2600 0.3 . 1 . . . . . . . . 5862 1 302 . 1 1 30 30 ARG HG2 H 1 1.8400 0.01 . 1 . . . . . . . . 5862 1 303 . 1 1 30 30 ARG CD C 13 43.2700 0.3 . 1 . . . . . . . . 5862 1 304 . 1 1 30 30 ARG HD2 H 1 3.2800 0.01 . 1 . . . . . . . . 5862 1 305 . 1 1 31 31 SER H H 1 7.1400 0.01 . 1 . . . . . . . . 5862 1 306 . 1 1 31 31 SER N N 15 110.2200 0.25 . 1 . . . . . . . . 5862 1 307 . 1 1 31 31 SER CA C 13 59.8000 0.3 . 1 . . . . . . . . 5862 1 308 . 1 1 31 31 SER HA H 1 4.7400 0.01 . 1 . . . . . . . . 5862 1 309 . 1 1 31 31 SER CB C 13 66.0000 0.3 . 1 . . . . . . . . 5862 1 310 . 1 1 31 31 SER HB2 H 1 3.8800 0.01 . 1 . . . . . . . . 5862 1 311 . 1 1 31 31 SER HB3 H 1 3.7400 0.01 . 1 . . . . . . . . 5862 1 312 . 1 1 32 32 VAL H H 1 7.9500 0.01 . 1 . . . . . . . . 5862 1 313 . 1 1 32 32 VAL N N 15 121.0000 0.25 . 1 . . . . . . . . 5862 1 314 . 1 1 32 32 VAL CA C 13 64.4500 0.3 . 1 . . . . . . . . 5862 1 315 . 1 1 32 32 VAL HA H 1 3.6900 0.01 . 1 . . . . . . . . 5862 1 316 . 1 1 32 32 VAL CB C 13 31.0900 0.3 . 1 . . . . . . . . 5862 1 317 . 1 1 32 32 VAL HB H 1 1.2400 0.01 . 1 . . . . . . . . 5862 1 318 . 1 1 32 32 VAL CG1 C 13 21.7000 0.3 . 2 . . . . . . . . 5862 1 319 . 1 1 32 32 VAL HG11 H 1 0.4600 0.01 . 2 . . . . . . . . 5862 1 320 . 1 1 32 32 VAL HG12 H 1 0.4600 0.01 . 2 . . . . . . . . 5862 1 321 . 1 1 32 32 VAL HG13 H 1 0.4600 0.01 . 2 . . . . . . . . 5862 1 322 . 1 1 32 32 VAL CG2 C 13 22.3000 0.3 . 2 . . . . . . . . 5862 1 323 . 1 1 32 32 VAL HG21 H 1 0.6100 0.01 . 2 . . . . . . . . 5862 1 324 . 1 1 32 32 VAL HG22 H 1 0.6100 0.01 . 2 . . . . . . . . 5862 1 325 . 1 1 32 32 VAL HG23 H 1 0.6100 0.01 . 2 . . . . . . . . 5862 1 326 . 1 1 33 33 GLY H H 1 8.0100 0.01 . 1 . . . . . . . . 5862 1 327 . 1 1 33 33 GLY N N 15 111.3700 0.25 . 1 . . . . . . . . 5862 1 328 . 1 1 33 33 GLY CA C 13 46.9300 0.3 . 1 . . . . . . . . 5862 1 329 . 1 1 33 33 GLY HA2 H 1 3.7000 0.01 . 1 . . . . . . . . 5862 1 330 . 1 1 33 33 GLY HA3 H 1 4.0200 0.01 . 1 . . . . . . . . 5862 1 331 . 1 1 34 34 LEU H H 1 9.1100 0.01 . 1 . . . . . . . . 5862 1 332 . 1 1 34 34 LEU N N 15 124.9800 0.25 . 1 . . . . . . . . 5862 1 333 . 1 1 34 34 LEU CA C 13 57.5400 0.3 . 1 . . . . . . . . 5862 1 334 . 1 1 34 34 LEU HA H 1 4.2300 0.01 . 1 . . . . . . . . 5862 1 335 . 1 1 34 34 LEU CB C 13 42.4200 0.3 . 1 . . . . . . . . 5862 1 336 . 1 1 34 34 LEU HB2 H 1 1.7900 0.01 . 1 . . . . . . . . 5862 1 337 . 1 1 34 34 LEU HB3 H 1 1.8600 0.01 . 1 . . . . . . . . 5862 1 338 . 1 1 34 34 LEU CD1 C 13 24.5000 0.3 . 2 . . . . . . . . 5862 1 339 . 1 1 34 34 LEU HD11 H 1 1.0500 0.01 . 2 . . . . . . . . 5862 1 340 . 1 1 34 34 LEU HD12 H 1 1.0500 0.01 . 2 . . . . . . . . 5862 1 341 . 1 1 34 34 LEU HD13 H 1 1.0500 0.01 . 2 . . . . . . . . 5862 1 342 . 1 1 35 35 LYS H H 1 7.6600 0.01 . 1 . . . . . . . . 5862 1 343 . 1 1 35 35 LYS N N 15 116.1600 0.25 . 1 . . . . . . . . 5862 1 344 . 1 1 35 35 LYS CA C 13 57.6900 0.3 . 1 . . . . . . . . 5862 1 345 . 1 1 35 35 LYS HA H 1 4.2900 0.01 . 1 . . . . . . . . 5862 1 346 . 1 1 35 35 LYS CB C 13 32.6400 0.3 . 1 . . . . . . . . 5862 1 347 . 1 1 35 35 LYS HB2 H 1 2.0300 0.01 . 1 . . . . . . . . 5862 1 348 . 1 1 35 35 LYS CG C 13 27.2000 0.3 . 1 . . . . . . . . 5862 1 349 . 1 1 35 35 LYS HG2 H 1 1.7700 0.01 . 1 . . . . . . . . 5862 1 350 . 1 1 35 35 LYS HG3 H 1 1.4800 0.01 . 1 . . . . . . . . 5862 1 351 . 1 1 35 35 LYS HE2 H 1 3.1000 0.01 . 1 . . . . . . . . 5862 1 352 . 1 1 36 36 TRP H H 1 8.0600 0.01 . 1 . . . . . . . . 5862 1 353 . 1 1 36 36 TRP N N 15 121.1200 0.25 . 1 . . . . . . . . 5862 1 354 . 1 1 36 36 TRP CA C 13 61.1000 0.3 . 1 . . . . . . . . 5862 1 355 . 1 1 36 36 TRP HA H 1 3.9800 0.01 . 1 . . . . . . . . 5862 1 356 . 1 1 36 36 TRP CB C 13 27.3600 0.3 . 1 . . . . . . . . 5862 1 357 . 1 1 36 36 TRP HB2 H 1 3.3900 0.01 . 1 . . . . . . . . 5862 1 358 . 1 1 36 36 TRP HB3 H 1 3.3100 0.01 . 1 . . . . . . . . 5862 1 359 . 1 1 36 36 TRP CD1 C 13 127.4000 0.3 . 1 . . . . . . . . 5862 1 360 . 1 1 36 36 TRP HD1 H 1 7.6800 0.01 . 1 . . . . . . . . 5862 1 361 . 1 1 36 36 TRP NE1 N 15 129.7300 0.25 . 1 . . . . . . . . 5862 1 362 . 1 1 36 36 TRP HE1 H 1 9.9500 0.01 . 1 . . . . . . . . 5862 1 363 . 1 1 36 36 TRP CE3 C 13 119.5000 0.3 . 1 . . . . . . . . 5862 1 364 . 1 1 36 36 TRP HE3 H 1 7.3600 0.01 . 1 . . . . . . . . 5862 1 365 . 1 1 36 36 TRP CZ2 C 13 114.4700 0.3 . 1 . . . . . . . . 5862 1 366 . 1 1 36 36 TRP HZ2 H 1 7.3500 0.01 . 1 . . . . . . . . 5862 1 367 . 1 1 36 36 TRP CZ3 C 13 121.2000 0.3 . 1 . . . . . . . . 5862 1 368 . 1 1 36 36 TRP HZ3 H 1 6.9300 0.01 . 1 . . . . . . . . 5862 1 369 . 1 1 36 36 TRP CH2 C 13 124.0000 0.3 . 1 . . . . . . . . 5862 1 370 . 1 1 36 36 TRP HH2 H 1 7.3300 0.01 . 1 . . . . . . . . 5862 1 371 . 1 1 37 37 ARG H H 1 6.0100 0.01 . 1 . . . . . . . . 5862 1 372 . 1 1 37 37 ARG N N 15 121.3100 0.25 . 1 . . . . . . . . 5862 1 373 . 1 1 37 37 ARG CA C 13 59.7500 0.3 . 1 . . . . . . . . 5862 1 374 . 1 1 37 37 ARG HA H 1 3.0700 0.01 . 1 . . . . . . . . 5862 1 375 . 1 1 37 37 ARG CB C 13 29.5400 0.3 . 1 . . . . . . . . 5862 1 376 . 1 1 37 37 ARG HB2 H 1 1.2500 0.01 . 1 . . . . . . . . 5862 1 377 . 1 1 37 37 ARG HB3 H 1 0.6900 0.01 . 1 . . . . . . . . 5862 1 378 . 1 1 37 37 ARG CG C 13 27.7000 0.3 . 1 . . . . . . . . 5862 1 379 . 1 1 37 37 ARG HG2 H 1 0.4900 0.01 . 1 . . . . . . . . 5862 1 380 . 1 1 37 37 ARG CD C 13 42.7500 0.3 . 1 . . . . . . . . 5862 1 381 . 1 1 37 37 ARG HD2 H 1 2.7200 0.01 . 1 . . . . . . . . 5862 1 382 . 1 1 38 38 LYS H H 1 7.2000 0.01 . 1 . . . . . . . . 5862 1 383 . 1 1 38 38 LYS N N 15 119.4700 0.25 . 1 . . . . . . . . 5862 1 384 . 1 1 38 38 LYS CA C 13 59.3700 0.3 . 1 . . . . . . . . 5862 1 385 . 1 1 38 38 LYS HA H 1 3.9100 0.01 . 1 . . . . . . . . 5862 1 386 . 1 1 38 38 LYS CB C 13 31.7500 0.3 . 1 . . . . . . . . 5862 1 387 . 1 1 38 38 LYS HB2 H 1 2.0200 0.01 . 1 . . . . . . . . 5862 1 388 . 1 1 38 38 LYS HB3 H 1 1.7200 0.01 . 1 . . . . . . . . 5862 1 389 . 1 1 38 38 LYS CG C 13 25.3800 0.3 . 1 . . . . . . . . 5862 1 390 . 1 1 38 38 LYS HG2 H 1 1.5500 0.01 . 1 . . . . . . . . 5862 1 391 . 1 1 38 38 LYS HG3 H 1 1.4100 0.01 . 1 . . . . . . . . 5862 1 392 . 1 1 38 38 LYS HE2 H 1 3.0200 0.01 . 1 . . . . . . . . 5862 1 393 . 1 1 39 39 VAL H H 1 7.6500 0.01 . 1 . . . . . . . . 5862 1 394 . 1 1 39 39 VAL N N 15 119.1100 0.25 . 1 . . . . . . . . 5862 1 395 . 1 1 39 39 VAL CA C 13 66.9900 0.3 . 1 . . . . . . . . 5862 1 396 . 1 1 39 39 VAL HA H 1 3.5500 0.01 . 1 . . . . . . . . 5862 1 397 . 1 1 39 39 VAL CB C 13 31.5800 0.3 . 1 . . . . . . . . 5862 1 398 . 1 1 39 39 VAL HB H 1 2.2500 0.01 . 1 . . . . . . . . 5862 1 399 . 1 1 39 39 VAL CG1 C 13 21.3000 0.3 . 1 . . . . . . . . 5862 1 400 . 1 1 39 39 VAL HG11 H 1 0.8500 0.01 . 1 . . . . . . . . 5862 1 401 . 1 1 39 39 VAL HG12 H 1 0.8500 0.01 . 1 . . . . . . . . 5862 1 402 . 1 1 39 39 VAL HG13 H 1 0.8500 0.01 . 1 . . . . . . . . 5862 1 403 . 1 1 39 39 VAL CG2 C 13 24.2000 0.3 . 1 . . . . . . . . 5862 1 404 . 1 1 39 39 VAL HG21 H 1 1.0100 0.01 . 1 . . . . . . . . 5862 1 405 . 1 1 39 39 VAL HG22 H 1 1.0100 0.01 . 1 . . . . . . . . 5862 1 406 . 1 1 39 39 VAL HG23 H 1 1.0100 0.01 . 1 . . . . . . . . 5862 1 407 . 1 1 40 40 GLY H H 1 8.6900 0.01 . 1 . . . . . . . . 5862 1 408 . 1 1 40 40 GLY N N 15 106.8700 0.25 . 1 . . . . . . . . 5862 1 409 . 1 1 40 40 GLY CA C 13 49.0000 0.3 . 1 . . . . . . . . 5862 1 410 . 1 1 40 40 GLY HA2 H 1 3.6400 0.01 . 1 . . . . . . . . 5862 1 411 . 1 1 41 41 ARG H H 1 8.1100 0.01 . 1 . . . . . . . . 5862 1 412 . 1 1 41 41 ARG N N 15 120.7900 0.25 . 1 . . . . . . . . 5862 1 413 . 1 1 41 41 ARG CA C 13 59.6200 0.3 . 1 . . . . . . . . 5862 1 414 . 1 1 41 41 ARG HA H 1 4.0400 0.01 . 1 . . . . . . . . 5862 1 415 . 1 1 41 41 ARG CB C 13 29.5600 0.3 . 1 . . . . . . . . 5862 1 416 . 1 1 41 41 ARG HB2 H 1 1.9200 0.01 . 1 . . . . . . . . 5862 1 417 . 1 1 41 41 ARG CD C 13 43.2700 0.3 . 1 . . . . . . . . 5862 1 418 . 1 1 41 41 ARG HD2 H 1 3.5600 0.01 . 1 . . . . . . . . 5862 1 419 . 1 1 42 42 SER H H 1 7.7300 0.01 . 1 . . . . . . . . 5862 1 420 . 1 1 42 42 SER N N 15 117.1100 0.25 . 1 . . . . . . . . 5862 1 421 . 1 1 42 42 SER CA C 13 63.6400 0.3 . 1 . . . . . . . . 5862 1 422 . 1 1 42 42 SER HA H 1 4.3100 0.01 . 1 . . . . . . . . 5862 1 423 . 1 1 42 42 SER CB C 13 62.7500 0.3 . 1 . . . . . . . . 5862 1 424 . 1 1 42 42 SER HB2 H 1 3.9900 0.01 . 1 . . . . . . . . 5862 1 425 . 1 1 43 43 LEU H H 1 8.0200 0.01 . 1 . . . . . . . . 5862 1 426 . 1 1 43 43 LEU N N 15 120.2700 0.25 . 1 . . . . . . . . 5862 1 427 . 1 1 43 43 LEU CA C 13 56.3300 0.3 . 1 . . . . . . . . 5862 1 428 . 1 1 43 43 LEU HA H 1 4.0100 0.01 . 1 . . . . . . . . 5862 1 429 . 1 1 43 43 LEU CB C 13 41.6700 0.3 . 1 . . . . . . . . 5862 1 430 . 1 1 43 43 LEU HB2 H 1 1.6300 0.01 . 1 . . . . . . . . 5862 1 431 . 1 1 43 43 LEU HB3 H 1 0.8800 0.01 . 1 . . . . . . . . 5862 1 432 . 1 1 43 43 LEU CG C 13 25.9000 0.3 . 1 . . . . . . . . 5862 1 433 . 1 1 43 43 LEU CD1 C 13 24.1800 0.3 . 1 . . . . . . . . 5862 1 434 . 1 1 43 43 LEU HD11 H 1 -0.1500 0.01 . 1 . . . . . . . . 5862 1 435 . 1 1 43 43 LEU HD12 H 1 -0.1500 0.01 . 1 . . . . . . . . 5862 1 436 . 1 1 43 43 LEU HD13 H 1 -0.1500 0.01 . 1 . . . . . . . . 5862 1 437 . 1 1 43 43 LEU CD2 C 13 21.3300 0.3 . 1 . . . . . . . . 5862 1 438 . 1 1 43 43 LEU HD21 H 1 0.1000 0.01 . 1 . . . . . . . . 5862 1 439 . 1 1 43 43 LEU HD22 H 1 0.1000 0.01 . 1 . . . . . . . . 5862 1 440 . 1 1 43 43 LEU HD23 H 1 0.1000 0.01 . 1 . . . . . . . . 5862 1 441 . 1 1 43 43 LEU HG H 1 1.4400 0.01 . 1 . . . . . . . . 5862 1 442 . 1 1 44 44 GLN H H 1 8.0500 0.01 . 1 . . . . . . . . 5862 1 443 . 1 1 44 44 GLN N N 15 117.7200 0.25 . 1 . . . . . . . . 5862 1 444 . 1 1 44 44 GLN CA C 13 58.3600 0.3 . 1 . . . . . . . . 5862 1 445 . 1 1 44 44 GLN HA H 1 4.0300 0.01 . 1 . . . . . . . . 5862 1 446 . 1 1 44 44 GLN CB C 13 28.9700 0.3 . 1 . . . . . . . . 5862 1 447 . 1 1 44 44 GLN HB2 H 1 2.2900 0.01 . 1 . . . . . . . . 5862 1 448 . 1 1 44 44 GLN HB3 H 1 2.0100 0.01 . 1 . . . . . . . . 5862 1 449 . 1 1 44 44 GLN CG C 13 34.6100 0.3 . 1 . . . . . . . . 5862 1 450 . 1 1 44 44 GLN HG2 H 1 2.6100 0.01 . 1 . . . . . . . . 5862 1 451 . 1 1 44 44 GLN HG3 H 1 2.7900 0.01 . 1 . . . . . . . . 5862 1 452 . 1 1 45 45 ARG H H 1 7.2300 0.01 . 1 . . . . . . . . 5862 1 453 . 1 1 45 45 ARG N N 15 117.9400 0.25 . 1 . . . . . . . . 5862 1 454 . 1 1 45 45 ARG CA C 13 59.4700 0.3 . 1 . . . . . . . . 5862 1 455 . 1 1 45 45 ARG HA H 1 4.0600 0.01 . 1 . . . . . . . . 5862 1 456 . 1 1 45 45 ARG CB C 13 29.8200 0.3 . 1 . . . . . . . . 5862 1 457 . 1 1 45 45 ARG HB2 H 1 1.9000 0.01 . 1 . . . . . . . . 5862 1 458 . 1 1 45 45 ARG CD C 13 43.7700 0.3 . 1 . . . . . . . . 5862 1 459 . 1 1 45 45 ARG HD2 H 1 3.2700 0.01 . 1 . . . . . . . . 5862 1 460 . 1 1 46 46 GLY H H 1 7.6000 0.01 . 1 . . . . . . . . 5862 1 461 . 1 1 46 46 GLY N N 15 105.2100 0.25 . 1 . . . . . . . . 5862 1 462 . 1 1 46 46 GLY CA C 13 45.1200 0.3 . 1 . . . . . . . . 5862 1 463 . 1 1 46 46 GLY HA2 H 1 4.4400 0.01 . 1 . . . . . . . . 5862 1 464 . 1 1 46 46 GLY HA3 H 1 3.7500 0.01 . 1 . . . . . . . . 5862 1 465 . 1 1 47 47 CYS H H 1 7.3600 0.01 . 1 . . . . . . . . 5862 1 466 . 1 1 47 47 CYS N N 15 121.0500 0.25 . 1 . . . . . . . . 5862 1 467 . 1 1 47 47 CYS CA C 13 57.1500 0.3 . 1 . . . . . . . . 5862 1 468 . 1 1 47 47 CYS HA H 1 4.9000 0.01 . 1 . . . . . . . . 5862 1 469 . 1 1 47 47 CYS CB C 13 27.9100 0.3 . 1 . . . . . . . . 5862 1 470 . 1 1 47 47 CYS HB2 H 1 2.7700 0.01 . 1 . . . . . . . . 5862 1 471 . 1 1 48 48 ARG H H 1 9.1000 0.01 . 1 . . . . . . . . 5862 1 472 . 1 1 48 48 ARG N N 15 130.7700 0.25 . 1 . . . . . . . . 5862 1 473 . 1 1 48 48 ARG CA C 13 59.5300 0.3 . 1 . . . . . . . . 5862 1 474 . 1 1 48 48 ARG HA H 1 4.0600 0.01 . 1 . . . . . . . . 5862 1 475 . 1 1 48 48 ARG CB C 13 29.7700 0.3 . 1 . . . . . . . . 5862 1 476 . 1 1 48 48 ARG HB2 H 1 1.9200 0.01 . 1 . . . . . . . . 5862 1 477 . 1 1 48 48 ARG CD C 13 43.4800 0.3 . 1 . . . . . . . . 5862 1 478 . 1 1 48 48 ARG HD2 H 1 3.2600 0.01 . 1 . . . . . . . . 5862 1 479 . 1 1 49 49 ALA H H 1 8.3700 0.01 . 1 . . . . . . . . 5862 1 480 . 1 1 49 49 ALA N N 15 120.7900 0.25 . 1 . . . . . . . . 5862 1 481 . 1 1 49 49 ALA CA C 13 54.1900 0.3 . 1 . . . . . . . . 5862 1 482 . 1 1 49 49 ALA HA H 1 4.2600 0.01 . 1 . . . . . . . . 5862 1 483 . 1 1 49 49 ALA CB C 13 19.3300 0.3 . 1 . . . . . . . . 5862 1 484 . 1 1 49 49 ALA HB1 H 1 1.4000 0.01 . 1 . . . . . . . . 5862 1 485 . 1 1 49 49 ALA HB2 H 1 1.4000 0.01 . 1 . . . . . . . . 5862 1 486 . 1 1 49 49 ALA HB3 H 1 1.4000 0.01 . 1 . . . . . . . . 5862 1 487 . 1 1 50 50 LEU H H 1 7.4700 0.01 . 1 . . . . . . . . 5862 1 488 . 1 1 50 50 LEU N N 15 114.7100 0.25 . 1 . . . . . . . . 5862 1 489 . 1 1 50 50 LEU CA C 13 53.6400 0.3 . 1 . . . . . . . . 5862 1 490 . 1 1 50 50 LEU HA H 1 4.4400 0.01 . 1 . . . . . . . . 5862 1 491 . 1 1 50 50 LEU CB C 13 42.9600 0.3 . 1 . . . . . . . . 5862 1 492 . 1 1 50 50 LEU HB2 H 1 1.5400 0.01 . 1 . . . . . . . . 5862 1 493 . 1 1 50 50 LEU HB3 H 1 1.8200 0.01 . 1 . . . . . . . . 5862 1 494 . 1 1 50 50 LEU CG C 13 27.7000 0.3 . 1 . . . . . . . . 5862 1 495 . 1 1 50 50 LEU CD1 C 13 26.6200 0.3 . 1 . . . . . . . . 5862 1 496 . 1 1 50 50 LEU HD11 H 1 0.8500 0.01 . 1 . . . . . . . . 5862 1 497 . 1 1 50 50 LEU HD12 H 1 0.8500 0.01 . 1 . . . . . . . . 5862 1 498 . 1 1 50 50 LEU HD13 H 1 0.8500 0.01 . 1 . . . . . . . . 5862 1 499 . 1 1 50 50 LEU CD2 C 13 22.6900 0.3 . 1 . . . . . . . . 5862 1 500 . 1 1 50 50 LEU HD21 H 1 0.8200 0.01 . 1 . . . . . . . . 5862 1 501 . 1 1 50 50 LEU HD22 H 1 0.8200 0.01 . 1 . . . . . . . . 5862 1 502 . 1 1 50 50 LEU HD23 H 1 0.8200 0.01 . 1 . . . . . . . . 5862 1 503 . 1 1 50 50 LEU HG H 1 1.6800 0.01 . 1 . . . . . . . . 5862 1 504 . 1 1 51 51 ARG H H 1 7.4700 0.01 . 1 . . . . . . . . 5862 1 505 . 1 1 51 51 ARG N N 15 120.2400 0.25 . 1 . . . . . . . . 5862 1 506 . 1 1 51 51 ARG CA C 13 57.3600 0.3 . 1 . . . . . . . . 5862 1 507 . 1 1 51 51 ARG HA H 1 4.0600 0.01 . 1 . . . . . . . . 5862 1 508 . 1 1 51 51 ARG CB C 13 30.5000 0.3 . 1 . . . . . . . . 5862 1 509 . 1 1 51 51 ARG HB3 H 1 2.0000 0.01 . 1 . . . . . . . . 5862 1 510 . 1 1 51 51 ARG CG C 13 30.9100 0.3 . 1 . . . . . . . . 5862 1 511 . 1 1 51 51 ARG CD C 13 44.3400 0.3 . 1 . . . . . . . . 5862 1 512 . 1 1 51 51 ARG HD2 H 1 3.2600 0.01 . 1 . . . . . . . . 5862 1 513 . 1 1 52 52 ASP H H 1 8.8600 0.01 . 1 . . . . . . . . 5862 1 514 . 1 1 52 52 ASP N N 15 124.6700 0.25 . 1 . . . . . . . . 5862 1 515 . 1 1 52 52 ASP CA C 13 54.5900 0.3 . 1 . . . . . . . . 5862 1 516 . 1 1 52 52 ASP HA H 1 4.8600 0.01 . 1 . . . . . . . . 5862 1 517 . 1 1 52 52 ASP CB C 13 39.1600 0.3 . 1 . . . . . . . . 5862 1 518 . 1 1 52 52 ASP HB2 H 1 2.5300 0.01 . 1 . . . . . . . . 5862 1 519 . 1 1 52 52 ASP HB3 H 1 2.8100 0.01 . 1 . . . . . . . . 5862 1 520 . 1 1 53 53 PRO CA C 13 64.6100 0.3 . 1 . . . . . . . . 5862 1 521 . 1 1 53 53 PRO HA H 1 5.0500 0.01 . 1 . . . . . . . . 5862 1 522 . 1 1 53 53 PRO CB C 13 32.6700 0.3 . 1 . . . . . . . . 5862 1 523 . 1 1 53 53 PRO HB2 H 1 2.1100 0.01 . 1 . . . . . . . . 5862 1 524 . 1 1 53 53 PRO HB3 H 1 2.7300 0.01 . 1 . . . . . . . . 5862 1 525 . 1 1 53 53 PRO CG C 13 24.8000 0.3 . 1 . . . . . . . . 5862 1 526 . 1 1 53 53 PRO HG2 H 1 1.7000 0.01 . 1 . . . . . . . . 5862 1 527 . 1 1 53 53 PRO HG3 H 1 2.0200 0.01 . 1 . . . . . . . . 5862 1 528 . 1 1 53 53 PRO CD C 13 49.9000 0.3 . 1 . . . . . . . . 5862 1 529 . 1 1 53 53 PRO HD2 H 1 3.5800 0.01 . 1 . . . . . . . . 5862 1 530 . 1 1 53 53 PRO HD3 H 1 3.5000 0.01 . 1 . . . . . . . . 5862 1 531 . 1 1 54 54 ALA H H 1 9.2900 0.01 . 1 . . . . . . . . 5862 1 532 . 1 1 54 54 ALA N N 15 126.6200 0.25 . 1 . . . . . . . . 5862 1 533 . 1 1 54 54 ALA CA C 13 56.4400 0.3 . 1 . . . . . . . . 5862 1 534 . 1 1 54 54 ALA HA H 1 4.1700 0.01 . 1 . . . . . . . . 5862 1 535 . 1 1 54 54 ALA CB C 13 19.6900 0.3 . 1 . . . . . . . . 5862 1 536 . 1 1 54 54 ALA HB1 H 1 1.5000 0.01 . 1 . . . . . . . . 5862 1 537 . 1 1 54 54 ALA HB2 H 1 1.5000 0.01 . 1 . . . . . . . . 5862 1 538 . 1 1 54 54 ALA HB3 H 1 1.5000 0.01 . 1 . . . . . . . . 5862 1 539 . 1 1 55 55 LEU H H 1 7.9400 0.01 . 1 . . . . . . . . 5862 1 540 . 1 1 55 55 LEU N N 15 114.6200 0.25 . 1 . . . . . . . . 5862 1 541 . 1 1 55 55 LEU CA C 13 58.2300 0.3 . 1 . . . . . . . . 5862 1 542 . 1 1 55 55 LEU HA H 1 4.3000 0.01 . 1 . . . . . . . . 5862 1 543 . 1 1 55 55 LEU CB C 13 40.4700 0.3 . 1 . . . . . . . . 5862 1 544 . 1 1 55 55 LEU HB2 H 1 2.0600 0.01 . 1 . . . . . . . . 5862 1 545 . 1 1 55 55 LEU HB3 H 1 1.4100 0.01 . 1 . . . . . . . . 5862 1 546 . 1 1 55 55 LEU CG C 13 27.1000 0.3 . 1 . . . . . . . . 5862 1 547 . 1 1 55 55 LEU CD1 C 13 25.9000 0.3 . 1 . . . . . . . . 5862 1 548 . 1 1 55 55 LEU HD11 H 1 0.8700 0.01 . 1 . . . . . . . . 5862 1 549 . 1 1 55 55 LEU HD12 H 1 0.8700 0.01 . 1 . . . . . . . . 5862 1 550 . 1 1 55 55 LEU HD13 H 1 0.8700 0.01 . 1 . . . . . . . . 5862 1 551 . 1 1 55 55 LEU CD2 C 13 24.0400 0.3 . 1 . . . . . . . . 5862 1 552 . 1 1 55 55 LEU HD21 H 1 0.9100 0.01 . 1 . . . . . . . . 5862 1 553 . 1 1 55 55 LEU HD22 H 1 0.9100 0.01 . 1 . . . . . . . . 5862 1 554 . 1 1 55 55 LEU HD23 H 1 0.9100 0.01 . 1 . . . . . . . . 5862 1 555 . 1 1 55 55 LEU HG H 1 1.8700 0.01 . 1 . . . . . . . . 5862 1 556 . 1 1 56 56 ASP H H 1 7.7000 0.01 . 1 . . . . . . . . 5862 1 557 . 1 1 56 56 ASP N N 15 119.3000 0.25 . 1 . . . . . . . . 5862 1 558 . 1 1 56 56 ASP CA C 13 57.3700 0.3 . 1 . . . . . . . . 5862 1 559 . 1 1 56 56 ASP HA H 1 4.4500 0.01 . 1 . . . . . . . . 5862 1 560 . 1 1 56 56 ASP CB C 13 40.6100 0.3 . 1 . . . . . . . . 5862 1 561 . 1 1 56 56 ASP HB2 H 1 2.7400 0.01 . 1 . . . . . . . . 5862 1 562 . 1 1 57 57 SER H H 1 8.5000 0.01 . 1 . . . . . . . . 5862 1 563 . 1 1 57 57 SER N N 15 115.9600 0.25 . 1 . . . . . . . . 5862 1 564 . 1 1 57 57 SER CA C 13 61.7000 0.3 . 1 . . . . . . . . 5862 1 565 . 1 1 57 57 SER HA H 1 4.4000 0.01 . 1 . . . . . . . . 5862 1 566 . 1 1 57 57 SER CB C 13 62.7900 0.3 . 1 . . . . . . . . 5862 1 567 . 1 1 57 57 SER HB2 H 1 4.0400 0.01 . 1 . . . . . . . . 5862 1 568 . 1 1 58 58 LEU H H 1 8.1000 0.01 . 1 . . . . . . . . 5862 1 569 . 1 1 58 58 LEU N N 15 123.2500 0.25 . 1 . . . . . . . . 5862 1 570 . 1 1 58 58 LEU CA C 13 58.7300 0.3 . 1 . . . . . . . . 5862 1 571 . 1 1 58 58 LEU HA H 1 4.2600 0.01 . 1 . . . . . . . . 5862 1 572 . 1 1 58 58 LEU CB C 13 43.2900 0.3 . 1 . . . . . . . . 5862 1 573 . 1 1 58 58 LEU HB2 H 1 1.6700 0.01 . 1 . . . . . . . . 5862 1 574 . 1 1 58 58 LEU HB3 H 1 2.2100 0.01 . 1 . . . . . . . . 5862 1 575 . 1 1 58 58 LEU CG C 13 27.1000 0.3 . 1 . . . . . . . . 5862 1 576 . 1 1 58 58 LEU CD1 C 13 24.5800 0.3 . 2 . . . . . . . . 5862 1 577 . 1 1 58 58 LEU HD11 H 1 0.9300 0.01 . 2 . . . . . . . . 5862 1 578 . 1 1 58 58 LEU HD12 H 1 0.9300 0.01 . 2 . . . . . . . . 5862 1 579 . 1 1 58 58 LEU HD13 H 1 0.9300 0.01 . 2 . . . . . . . . 5862 1 580 . 1 1 58 58 LEU CD2 C 13 26.4000 0.3 . 2 . . . . . . . . 5862 1 581 . 1 1 58 58 LEU HD21 H 1 0.9000 0.01 . 2 . . . . . . . . 5862 1 582 . 1 1 58 58 LEU HD22 H 1 0.9000 0.01 . 2 . . . . . . . . 5862 1 583 . 1 1 58 58 LEU HD23 H 1 0.9000 0.01 . 2 . . . . . . . . 5862 1 584 . 1 1 58 58 LEU HG H 1 1.9200 0.01 . 1 . . . . . . . . 5862 1 585 . 1 1 59 59 ALA H H 1 8.1000 0.01 . 1 . . . . . . . . 5862 1 586 . 1 1 59 59 ALA N N 15 120.2000 0.25 . 1 . . . . . . . . 5862 1 587 . 1 1 59 59 ALA CA C 13 55.3700 0.3 . 1 . . . . . . . . 5862 1 588 . 1 1 59 59 ALA HA H 1 4.1500 0.01 . 1 . . . . . . . . 5862 1 589 . 1 1 59 59 ALA CB C 13 18.5400 0.3 . 1 . . . . . . . . 5862 1 590 . 1 1 59 59 ALA HB1 H 1 1.8000 0.01 . 1 . . . . . . . . 5862 1 591 . 1 1 59 59 ALA HB2 H 1 1.8000 0.01 . 1 . . . . . . . . 5862 1 592 . 1 1 59 59 ALA HB3 H 1 1.8000 0.01 . 1 . . . . . . . . 5862 1 593 . 1 1 60 60 TYR H H 1 8.0100 0.01 . 1 . . . . . . . . 5862 1 594 . 1 1 60 60 TYR N N 15 115.7300 0.25 . 1 . . . . . . . . 5862 1 595 . 1 1 60 60 TYR CA C 13 60.5200 0.3 . 1 . . . . . . . . 5862 1 596 . 1 1 60 60 TYR HA H 1 4.3900 0.01 . 1 . . . . . . . . 5862 1 597 . 1 1 60 60 TYR CB C 13 38.6600 0.3 . 1 . . . . . . . . 5862 1 598 . 1 1 60 60 TYR HB2 H 1 3.1800 0.01 . 1 . . . . . . . . 5862 1 599 . 1 1 60 60 TYR HB3 H 1 3.2500 0.01 . 1 . . . . . . . . 5862 1 600 . 1 1 60 60 TYR CD1 C 13 133.2000 0.3 . 1 . . . . . . . . 5862 1 601 . 1 1 60 60 TYR HD2 H 1 7.1800 0.01 . 1 . . . . . . . . 5862 1 602 . 1 1 60 60 TYR CE1 C 13 118.1000 0.3 . 1 . . . . . . . . 5862 1 603 . 1 1 60 60 TYR HE2 H 1 6.8500 0.01 . 1 . . . . . . . . 5862 1 604 . 1 1 61 61 GLU H H 1 8.5900 0.01 . 1 . . . . . . . . 5862 1 605 . 1 1 61 61 GLU N N 15 119.4800 0.25 . 1 . . . . . . . . 5862 1 606 . 1 1 61 61 GLU CA C 13 58.8600 0.3 . 1 . . . . . . . . 5862 1 607 . 1 1 61 61 GLU HA H 1 3.7600 0.01 . 1 . . . . . . . . 5862 1 608 . 1 1 61 61 GLU CB C 13 29.1500 0.3 . 1 . . . . . . . . 5862 1 609 . 1 1 61 61 GLU HB2 H 1 2.0000 0.01 . 1 . . . . . . . . 5862 1 610 . 1 1 61 61 GLU HB3 H 1 1.5800 0.01 . 1 . . . . . . . . 5862 1 611 . 1 1 61 61 GLU CG C 13 33.9200 0.3 . 1 . . . . . . . . 5862 1 612 . 1 1 61 61 GLU HG2 H 1 2.1900 0.01 . 1 . . . . . . . . 5862 1 613 . 1 1 62 62 TYR H H 1 7.4400 0.01 . 1 . . . . . . . . 5862 1 614 . 1 1 62 62 TYR N N 15 112.6500 0.25 . 1 . . . . . . . . 5862 1 615 . 1 1 62 62 TYR CA C 13 58.0100 0.3 . 1 . . . . . . . . 5862 1 616 . 1 1 62 62 TYR HA H 1 5.0000 0.01 . 1 . . . . . . . . 5862 1 617 . 1 1 62 62 TYR CB C 13 38.2800 0.3 . 1 . . . . . . . . 5862 1 618 . 1 1 62 62 TYR HB2 H 1 2.4400 0.01 . 1 . . . . . . . . 5862 1 619 . 1 1 62 62 TYR HB3 H 1 3.2200 0.01 . 1 . . . . . . . . 5862 1 620 . 1 1 62 62 TYR CD1 C 13 133.4000 0.3 . 1 . . . . . . . . 5862 1 621 . 1 1 62 62 TYR HD2 H 1 7.2400 0.01 . 1 . . . . . . . . 5862 1 622 . 1 1 62 62 TYR CE1 C 13 117.9800 0.3 . 1 . . . . . . . . 5862 1 623 . 1 1 62 62 TYR HE2 H 1 6.7500 0.01 . 1 . . . . . . . . 5862 1 624 . 1 1 63 63 GLU H H 1 7.4700 0.01 . 1 . . . . . . . . 5862 1 625 . 1 1 63 63 GLU N N 15 122.4100 0.25 . 1 . . . . . . . . 5862 1 626 . 1 1 63 63 GLU CA C 13 60.1100 0.3 . 1 . . . . . . . . 5862 1 627 . 1 1 63 63 GLU HA H 1 3.9400 0.01 . 1 . . . . . . . . 5862 1 628 . 1 1 63 63 GLU CB C 13 28.9100 0.3 . 1 . . . . . . . . 5862 1 629 . 1 1 63 63 GLU HB2 H 1 2.4900 0.01 . 1 . . . . . . . . 5862 1 630 . 1 1 63 63 GLU HB3 H 1 2.1200 0.01 . 1 . . . . . . . . 5862 1 631 . 1 1 63 63 GLU CG C 13 34.4600 0.3 . 1 . . . . . . . . 5862 1 632 . 1 1 64 64 ARG H H 1 8.6700 0.01 . 1 . . . . . . . . 5862 1 633 . 1 1 64 64 ARG N N 15 117.2800 0.25 . 1 . . . . . . . . 5862 1 634 . 1 1 64 64 ARG CA C 13 58.2800 0.3 . 1 . . . . . . . . 5862 1 635 . 1 1 64 64 ARG HA H 1 4.1200 0.01 . 1 . . . . . . . . 5862 1 636 . 1 1 64 64 ARG CB C 13 29.6200 0.3 . 1 . . . . . . . . 5862 1 637 . 1 1 64 64 ARG HB2 H 1 1.8400 0.01 . 1 . . . . . . . . 5862 1 638 . 1 1 64 64 ARG HG2 H 1 2.1900 0.01 . 1 . . . . . . . . 5862 1 639 . 1 1 64 64 ARG CD C 13 43.5500 0.3 . 1 . . . . . . . . 5862 1 640 . 1 1 64 64 ARG HD2 H 1 3.2200 0.01 . 1 . . . . . . . . 5862 1 641 . 1 1 65 65 GLU H H 1 8.0000 0.01 . 1 . . . . . . . . 5862 1 642 . 1 1 65 65 GLU N N 15 117.6400 0.25 . 1 . . . . . . . . 5862 1 643 . 1 1 65 65 GLU CA C 13 58.2400 0.3 . 1 . . . . . . . . 5862 1 644 . 1 1 65 65 GLU HA H 1 4.3400 0.01 . 1 . . . . . . . . 5862 1 645 . 1 1 65 65 GLU CB C 13 29.7900 0.3 . 1 . . . . . . . . 5862 1 646 . 1 1 65 65 GLU HB2 H 1 2.1700 0.01 . 1 . . . . . . . . 5862 1 647 . 1 1 65 65 GLU HB3 H 1 2.3300 0.01 . 1 . . . . . . . . 5862 1 648 . 1 1 65 65 GLU CG C 13 36.0900 0.3 . 1 . . . . . . . . 5862 1 649 . 1 1 65 65 GLU HG2 H 1 2.4800 0.01 . 1 . . . . . . . . 5862 1 650 . 1 1 65 65 GLU HG3 H 1 2.6900 0.01 . 1 . . . . . . . . 5862 1 651 . 1 1 66 66 GLY H H 1 7.6500 0.01 . 1 . . . . . . . . 5862 1 652 . 1 1 66 66 GLY N N 15 106.9800 0.25 . 1 . . . . . . . . 5862 1 653 . 1 1 66 66 GLY CA C 13 44.7200 0.3 . 1 . . . . . . . . 5862 1 654 . 1 1 66 66 GLY HA2 H 1 3.8900 0.01 . 1 . . . . . . . . 5862 1 655 . 1 1 66 66 GLY HA3 H 1 4.5600 0.01 . 1 . . . . . . . . 5862 1 656 . 1 1 67 67 LEU H H 1 8.2000 0.01 . 1 . . . . . . . . 5862 1 657 . 1 1 67 67 LEU N N 15 118.7600 0.25 . 1 . . . . . . . . 5862 1 658 . 1 1 67 67 LEU CA C 13 58.4700 0.3 . 1 . . . . . . . . 5862 1 659 . 1 1 67 67 LEU HA H 1 4.0400 0.01 . 1 . . . . . . . . 5862 1 660 . 1 1 67 67 LEU CB C 13 43.0000 0.3 . 1 . . . . . . . . 5862 1 661 . 1 1 67 67 LEU HB2 H 1 1.4700 0.01 . 1 . . . . . . . . 5862 1 662 . 1 1 67 67 LEU HB3 H 1 1.8300 0.01 . 1 . . . . . . . . 5862 1 663 . 1 1 67 67 LEU CG C 13 27.5000 0.3 . 1 . . . . . . . . 5862 1 664 . 1 1 67 67 LEU CD1 C 13 25.7900 0.3 . 2 . . . . . . . . 5862 1 665 . 1 1 67 67 LEU HD11 H 1 1.0500 0.01 . 2 . . . . . . . . 5862 1 666 . 1 1 67 67 LEU HD12 H 1 1.0500 0.01 . 2 . . . . . . . . 5862 1 667 . 1 1 67 67 LEU HD13 H 1 1.0500 0.01 . 2 . . . . . . . . 5862 1 668 . 1 1 67 67 LEU CD2 C 13 24.1000 0.3 . 2 . . . . . . . . 5862 1 669 . 1 1 67 67 LEU HD21 H 1 1.0700 0.01 . 2 . . . . . . . . 5862 1 670 . 1 1 67 67 LEU HD22 H 1 1.0700 0.01 . 2 . . . . . . . . 5862 1 671 . 1 1 67 67 LEU HD23 H 1 1.0700 0.01 . 2 . . . . . . . . 5862 1 672 . 1 1 68 68 TYR H H 1 8.4800 0.01 . 1 . . . . . . . . 5862 1 673 . 1 1 68 68 TYR N N 15 119.2800 0.25 . 1 . . . . . . . . 5862 1 674 . 1 1 68 68 TYR CA C 13 61.1500 0.3 . 1 . . . . . . . . 5862 1 675 . 1 1 68 68 TYR HA H 1 4.1100 0.01 . 1 . . . . . . . . 5862 1 676 . 1 1 68 68 TYR CB C 13 37.7000 0.3 . 1 . . . . . . . . 5862 1 677 . 1 1 68 68 TYR HB2 H 1 3.0500 0.01 . 1 . . . . . . . . 5862 1 678 . 1 1 68 68 TYR CD1 C 13 133.3000 0.3 . 1 . . . . . . . . 5862 1 679 . 1 1 68 68 TYR HD2 H 1 6.8100 0.01 . 1 . . . . . . . . 5862 1 680 . 1 1 68 68 TYR CE1 C 13 117.7000 0.3 . 1 . . . . . . . . 5862 1 681 . 1 1 68 68 TYR HE2 H 1 6.6100 0.01 . 1 . . . . . . . . 5862 1 682 . 1 1 69 69 GLU H H 1 7.5700 0.01 . 1 . . . . . . . . 5862 1 683 . 1 1 69 69 GLU N N 15 118.9000 0.25 . 1 . . . . . . . . 5862 1 684 . 1 1 69 69 GLU CA C 13 58.7000 0.3 . 1 . . . . . . . . 5862 1 685 . 1 1 69 69 GLU HA H 1 3.8900 0.01 . 1 . . . . . . . . 5862 1 686 . 1 1 69 69 GLU CB C 13 27.5600 0.3 . 1 . . . . . . . . 5862 1 687 . 1 1 69 69 GLU HB2 H 1 1.9000 0.01 . 1 . . . . . . . . 5862 1 688 . 1 1 69 69 GLU HB3 H 1 2.1600 0.01 . 1 . . . . . . . . 5862 1 689 . 1 1 69 69 GLU HG2 H 1 2.5000 0.01 . 1 . . . . . . . . 5862 1 690 . 1 1 69 69 GLU HG3 H 1 2.6900 0.01 . 1 . . . . . . . . 5862 1 691 . 1 1 70 70 GLN H H 1 7.7700 0.01 . 1 . . . . . . . . 5862 1 692 . 1 1 70 70 GLN N N 15 117.0800 0.25 . 1 . . . . . . . . 5862 1 693 . 1 1 70 70 GLN CA C 13 59.8000 0.3 . 1 . . . . . . . . 5862 1 694 . 1 1 70 70 GLN HA H 1 3.0800 0.01 . 1 . . . . . . . . 5862 1 695 . 1 1 70 70 GLN CB C 13 27.3000 0.3 . 1 . . . . . . . . 5862 1 696 . 1 1 70 70 GLN HB2 H 1 1.4500 0.01 . 1 . . . . . . . . 5862 1 697 . 1 1 70 70 GLN HB3 H 1 1.7600 0.01 . 1 . . . . . . . . 5862 1 698 . 1 1 70 70 GLN CG C 13 30.5000 0.3 . 1 . . . . . . . . 5862 1 699 . 1 1 70 70 GLN HG2 H 1 1.7900 0.01 . 1 . . . . . . . . 5862 1 700 . 1 1 71 71 ALA H H 1 7.2900 0.01 . 1 . . . . . . . . 5862 1 701 . 1 1 71 71 ALA N N 15 117.8000 0.25 . 1 . . . . . . . . 5862 1 702 . 1 1 71 71 ALA CA C 13 55.2000 0.3 . 1 . . . . . . . . 5862 1 703 . 1 1 71 71 ALA HA H 1 3.5900 0.01 . 1 . . . . . . . . 5862 1 704 . 1 1 71 71 ALA CB C 13 20.0600 0.3 . 1 . . . . . . . . 5862 1 705 . 1 1 71 71 ALA HB1 H 1 1.2900 0.01 . 1 . . . . . . . . 5862 1 706 . 1 1 71 71 ALA HB2 H 1 1.2900 0.01 . 1 . . . . . . . . 5862 1 707 . 1 1 71 71 ALA HB3 H 1 1.2900 0.01 . 1 . . . . . . . . 5862 1 708 . 1 1 72 72 PHE H H 1 8.6700 0.01 . 1 . . . . . . . . 5862 1 709 . 1 1 72 72 PHE N N 15 118.5000 0.25 . 1 . . . . . . . . 5862 1 710 . 1 1 72 72 PHE CA C 13 61.8000 0.3 . 1 . . . . . . . . 5862 1 711 . 1 1 72 72 PHE HA H 1 3.7900 0.01 . 1 . . . . . . . . 5862 1 712 . 1 1 72 72 PHE CB C 13 39.9000 0.3 . 1 . . . . . . . . 5862 1 713 . 1 1 72 72 PHE HB2 H 1 2.7200 0.01 . 1 . . . . . . . . 5862 1 714 . 1 1 72 72 PHE HB3 H 1 2.5000 0.01 . 1 . . . . . . . . 5862 1 715 . 1 1 72 72 PHE CD1 C 13 131.4000 0.3 . 1 . . . . . . . . 5862 1 716 . 1 1 72 72 PHE HD2 H 1 6.8300 0.01 . 1 . . . . . . . . 5862 1 717 . 1 1 72 72 PHE CE1 C 13 130.9000 0.3 . 1 . . . . . . . . 5862 1 718 . 1 1 72 72 PHE HE2 H 1 7.2000 0.01 . 1 . . . . . . . . 5862 1 719 . 1 1 72 72 PHE CZ C 13 128.5000 0.3 . 1 . . . . . . . . 5862 1 720 . 1 1 72 72 PHE HZ H 1 7.1700 0.01 . 1 . . . . . . . . 5862 1 721 . 1 1 73 73 GLN H H 1 8.5400 0.01 . 1 . . . . . . . . 5862 1 722 . 1 1 73 73 GLN N N 15 116.7000 0.25 . 1 . . . . . . . . 5862 1 723 . 1 1 73 73 GLN CA C 13 57.8000 0.3 . 1 . . . . . . . . 5862 1 724 . 1 1 73 73 GLN HA H 1 3.6600 0.01 . 1 . . . . . . . . 5862 1 725 . 1 1 73 73 GLN CB C 13 26.8000 0.3 . 1 . . . . . . . . 5862 1 726 . 1 1 73 73 GLN HB2 H 1 1.2500 0.01 . 1 . . . . . . . . 5862 1 727 . 1 1 73 73 GLN HB3 H 1 1.3900 0.01 . 1 . . . . . . . . 5862 1 728 . 1 1 73 73 GLN CG C 13 29.4400 0.3 . 1 . . . . . . . . 5862 1 729 . 1 1 73 73 GLN HG2 H 1 1.6900 0.01 . 1 . . . . . . . . 5862 1 730 . 1 1 73 73 GLN HG3 H 1 1.4400 0.01 . 1 . . . . . . . . 5862 1 731 . 1 1 74 74 LEU H H 1 7.8300 0.01 . 1 . . . . . . . . 5862 1 732 . 1 1 74 74 LEU N N 15 121.4000 0.25 . 1 . . . . . . . . 5862 1 733 . 1 1 74 74 LEU CA C 13 58.9000 0.3 . 1 . . . . . . . . 5862 1 734 . 1 1 74 74 LEU HA H 1 3.9300 0.01 . 1 . . . . . . . . 5862 1 735 . 1 1 74 74 LEU CB C 13 40.6000 0.3 . 1 . . . . . . . . 5862 1 736 . 1 1 74 74 LEU HB2 H 1 2.4200 0.01 . 1 . . . . . . . . 5862 1 737 . 1 1 74 74 LEU HB3 H 1 1.6700 0.01 . 1 . . . . . . . . 5862 1 738 . 1 1 74 74 LEU CG C 13 27.5500 0.3 . 1 . . . . . . . . 5862 1 739 . 1 1 74 74 LEU CD1 C 13 26.9000 0.3 . 2 . . . . . . . . 5862 1 740 . 1 1 74 74 LEU HD11 H 1 1.1800 0.01 . 2 . . . . . . . . 5862 1 741 . 1 1 74 74 LEU HD12 H 1 1.1800 0.01 . 2 . . . . . . . . 5862 1 742 . 1 1 74 74 LEU HD13 H 1 1.1800 0.01 . 2 . . . . . . . . 5862 1 743 . 1 1 74 74 LEU CD2 C 13 24.9300 0.3 . 2 . . . . . . . . 5862 1 744 . 1 1 74 74 LEU HD21 H 1 1.0400 0.01 . 2 . . . . . . . . 5862 1 745 . 1 1 74 74 LEU HD22 H 1 1.0400 0.01 . 2 . . . . . . . . 5862 1 746 . 1 1 74 74 LEU HD23 H 1 1.0400 0.01 . 2 . . . . . . . . 5862 1 747 . 1 1 75 75 LEU H H 1 7.0600 0.01 . 1 . . . . . . . . 5862 1 748 . 1 1 75 75 LEU N N 15 115.1000 0.25 . 1 . . . . . . . . 5862 1 749 . 1 1 75 75 LEU CA C 13 56.5000 0.3 . 1 . . . . . . . . 5862 1 750 . 1 1 75 75 LEU HA H 1 4.0800 0.01 . 1 . . . . . . . . 5862 1 751 . 1 1 75 75 LEU CB C 13 40.8000 0.3 . 1 . . . . . . . . 5862 1 752 . 1 1 75 75 LEU HB2 H 1 1.6700 0.01 . 1 . . . . . . . . 5862 1 753 . 1 1 75 75 LEU HB3 H 1 1.2200 0.01 . 1 . . . . . . . . 5862 1 754 . 1 1 75 75 LEU CG C 13 27.0000 0.3 . 1 . . . . . . . . 5862 1 755 . 1 1 75 75 LEU CD1 C 13 27.5000 0.3 . 1 . . . . . . . . 5862 1 756 . 1 1 75 75 LEU HD11 H 1 0.4000 0.01 . 1 . . . . . . . . 5862 1 757 . 1 1 75 75 LEU HD12 H 1 0.4000 0.01 . 1 . . . . . . . . 5862 1 758 . 1 1 75 75 LEU HD13 H 1 0.4000 0.01 . 1 . . . . . . . . 5862 1 759 . 1 1 75 75 LEU CD2 C 13 22.3700 0.3 . 1 . . . . . . . . 5862 1 760 . 1 1 75 75 LEU HD21 H 1 0.2000 0.01 . 1 . . . . . . . . 5862 1 761 . 1 1 75 75 LEU HD22 H 1 0.2000 0.01 . 1 . . . . . . . . 5862 1 762 . 1 1 75 75 LEU HD23 H 1 0.2000 0.01 . 1 . . . . . . . . 5862 1 763 . 1 1 75 75 LEU HG H 1 1.5800 0.01 . 1 . . . . . . . . 5862 1 764 . 1 1 76 76 ARG H H 1 8.4300 0.01 . 1 . . . . . . . . 5862 1 765 . 1 1 76 76 ARG N N 15 121.1000 0.25 . 1 . . . . . . . . 5862 1 766 . 1 1 76 76 ARG CA C 13 59.5000 0.3 . 1 . . . . . . . . 5862 1 767 . 1 1 76 76 ARG HA H 1 3.7100 0.01 . 1 . . . . . . . . 5862 1 768 . 1 1 76 76 ARG CB C 13 29.3000 0.3 . 1 . . . . . . . . 5862 1 769 . 1 1 76 76 ARG HB2 H 1 1.4300 0.01 . 1 . . . . . . . . 5862 1 770 . 1 1 76 76 ARG HB3 H 1 1.6800 0.01 . 1 . . . . . . . . 5862 1 771 . 1 1 76 76 ARG HG2 H 1 1.2600 0.01 . 1 . . . . . . . . 5862 1 772 . 1 1 76 76 ARG CD C 13 44.6900 0.3 . 1 . . . . . . . . 5862 1 773 . 1 1 76 76 ARG HD2 H 1 2.9900 0.01 . 1 . . . . . . . . 5862 1 774 . 1 1 76 76 ARG HD3 H 1 2.9000 0.01 . 1 . . . . . . . . 5862 1 775 . 1 1 77 77 ARG H H 1 8.2000 0.01 . 1 . . . . . . . . 5862 1 776 . 1 1 77 77 ARG N N 15 118.5000 0.25 . 1 . . . . . . . . 5862 1 777 . 1 1 77 77 ARG CA C 13 58.7000 0.3 . 1 . . . . . . . . 5862 1 778 . 1 1 77 77 ARG HA H 1 4.0600 0.01 . 1 . . . . . . . . 5862 1 779 . 1 1 77 77 ARG CB C 13 29.2700 0.3 . 1 . . . . . . . . 5862 1 780 . 1 1 77 77 ARG HB2 H 1 1.9900 0.01 . 1 . . . . . . . . 5862 1 781 . 1 1 77 77 ARG HB3 H 1 1.9300 0.01 . 1 . . . . . . . . 5862 1 782 . 1 1 77 77 ARG CG C 13 29.0000 0.3 . 1 . . . . . . . . 5862 1 783 . 1 1 77 77 ARG HG2 H 1 2.1800 0.01 . 1 . . . . . . . . 5862 1 784 . 1 1 77 77 ARG CD C 13 43.0400 0.3 . 1 . . . . . . . . 5862 1 785 . 1 1 77 77 ARG HD2 H 1 3.2100 0.01 . 1 . . . . . . . . 5862 1 786 . 1 1 78 78 PHE H H 1 7.8700 0.01 . 1 . . . . . . . . 5862 1 787 . 1 1 78 78 PHE N N 15 120.1000 0.25 . 1 . . . . . . . . 5862 1 788 . 1 1 78 78 PHE CA C 13 60.4300 0.3 . 1 . . . . . . . . 5862 1 789 . 1 1 78 78 PHE HA H 1 4.3600 0.01 . 1 . . . . . . . . 5862 1 790 . 1 1 78 78 PHE CB C 13 40.1200 0.3 . 1 . . . . . . . . 5862 1 791 . 1 1 78 78 PHE HB2 H 1 3.1000 0.01 . 1 . . . . . . . . 5862 1 792 . 1 1 78 78 PHE HB3 H 1 3.3000 0.01 . 1 . . . . . . . . 5862 1 793 . 1 1 78 78 PHE CD1 C 13 131.9000 0.3 . 1 . . . . . . . . 5862 1 794 . 1 1 78 78 PHE HD2 H 1 7.1500 0.01 . 1 . . . . . . . . 5862 1 795 . 1 1 78 78 PHE CE1 C 13 130.9000 0.3 . 1 . . . . . . . . 5862 1 796 . 1 1 78 78 PHE HE2 H 1 7.1000 0.01 . 1 . . . . . . . . 5862 1 797 . 1 1 78 78 PHE CZ C 13 128.5000 0.3 . 1 . . . . . . . . 5862 1 798 . 1 1 78 78 PHE HZ H 1 7.0100 0.01 . 1 . . . . . . . . 5862 1 799 . 1 1 79 79 VAL H H 1 8.6500 0.01 . 1 . . . . . . . . 5862 1 800 . 1 1 79 79 VAL N N 15 118.8000 0.25 . 1 . . . . . . . . 5862 1 801 . 1 1 79 79 VAL CA C 13 66.1500 0.3 . 1 . . . . . . . . 5862 1 802 . 1 1 79 79 VAL HA H 1 3.2700 0.01 . 1 . . . . . . . . 5862 1 803 . 1 1 79 79 VAL CB C 13 31.7400 0.3 . 1 . . . . . . . . 5862 1 804 . 1 1 79 79 VAL HB H 1 2.0200 0.01 . 1 . . . . . . . . 5862 1 805 . 1 1 79 79 VAL CG1 C 13 23.3000 0.3 . 2 . . . . . . . . 5862 1 806 . 1 1 79 79 VAL HG11 H 1 0.9200 0.01 . 2 . . . . . . . . 5862 1 807 . 1 1 79 79 VAL HG12 H 1 0.9200 0.01 . 2 . . . . . . . . 5862 1 808 . 1 1 79 79 VAL HG13 H 1 0.9200 0.01 . 2 . . . . . . . . 5862 1 809 . 1 1 79 79 VAL CG2 C 13 17.8200 0.3 . 2 . . . . . . . . 5862 1 810 . 1 1 79 79 VAL HG21 H 1 0.9600 0.01 . 2 . . . . . . . . 5862 1 811 . 1 1 79 79 VAL HG22 H 1 0.9600 0.01 . 2 . . . . . . . . 5862 1 812 . 1 1 79 79 VAL HG23 H 1 0.9600 0.01 . 2 . . . . . . . . 5862 1 813 . 1 1 80 80 GLN H H 1 8.4300 0.01 . 1 . . . . . . . . 5862 1 814 . 1 1 80 80 GLN N N 15 120.5700 0.25 . 1 . . . . . . . . 5862 1 815 . 1 1 80 80 GLN CA C 13 59.0400 0.3 . 1 . . . . . . . . 5862 1 816 . 1 1 80 80 GLN HA H 1 3.9200 0.01 . 1 . . . . . . . . 5862 1 817 . 1 1 80 80 GLN CB C 13 28.6700 0.3 . 1 . . . . . . . . 5862 1 818 . 1 1 80 80 GLN HB2 H 1 2.1200 0.01 . 1 . . . . . . . . 5862 1 819 . 1 1 80 80 GLN CG C 13 34.0200 0.3 . 1 . . . . . . . . 5862 1 820 . 1 1 81 81 ALA H H 1 7.8000 0.01 . 1 . . . . . . . . 5862 1 821 . 1 1 81 81 ALA N N 15 118.6700 0.25 . 1 . . . . . . . . 5862 1 822 . 1 1 81 81 ALA CA C 13 54.4900 0.3 . 1 . . . . . . . . 5862 1 823 . 1 1 81 81 ALA HA H 1 4.1800 0.01 . 1 . . . . . . . . 5862 1 824 . 1 1 81 81 ALA CB C 13 20.1900 0.3 . 1 . . . . . . . . 5862 1 825 . 1 1 81 81 ALA HB1 H 1 1.4300 0.01 . 1 . . . . . . . . 5862 1 826 . 1 1 81 81 ALA HB2 H 1 1.4300 0.01 . 1 . . . . . . . . 5862 1 827 . 1 1 81 81 ALA HB3 H 1 1.4300 0.01 . 1 . . . . . . . . 5862 1 828 . 1 1 82 82 GLU H H 1 7.9900 0.01 . 1 . . . . . . . . 5862 1 829 . 1 1 82 82 GLU N N 15 113.2000 0.25 . 1 . . . . . . . . 5862 1 830 . 1 1 82 82 GLU CA C 13 55.6400 0.3 . 1 . . . . . . . . 5862 1 831 . 1 1 82 82 GLU HA H 1 4.2300 0.01 . 1 . . . . . . . . 5862 1 832 . 1 1 82 82 GLU CB C 13 31.6000 0.3 . 1 . . . . . . . . 5862 1 833 . 1 1 82 82 GLU HB2 H 1 1.6200 0.01 . 1 . . . . . . . . 5862 1 834 . 1 1 82 82 GLU HB3 H 1 1.2900 0.01 . 1 . . . . . . . . 5862 1 835 . 1 1 82 82 GLU CG C 13 37.0000 0.3 . 1 . . . . . . . . 5862 1 836 . 1 1 82 82 GLU HG2 H 1 1.8100 0.01 . 1 . . . . . . . . 5862 1 837 . 1 1 82 82 GLU HG3 H 1 2.1500 0.01 . 1 . . . . . . . . 5862 1 838 . 1 1 83 83 GLY H H 1 8.4100 0.01 . 1 . . . . . . . . 5862 1 839 . 1 1 83 83 GLY N N 15 112.3900 0.25 . 1 . . . . . . . . 5862 1 840 . 1 1 83 83 GLY CA C 13 46.9500 0.3 . 1 . . . . . . . . 5862 1 841 . 1 1 83 83 GLY HA2 H 1 3.8300 0.01 . 1 . . . . . . . . 5862 1 842 . 1 1 84 84 ARG H H 1 9.1000 0.01 . 1 . . . . . . . . 5862 1 843 . 1 1 84 84 ARG N N 15 127.3000 0.25 . 1 . . . . . . . . 5862 1 844 . 1 1 84 84 ARG CA C 13 58.1500 0.3 . 1 . . . . . . . . 5862 1 845 . 1 1 84 84 ARG HA H 1 4.0500 0.01 . 1 . . . . . . . . 5862 1 846 . 1 1 84 84 ARG CB C 13 29.6700 0.3 . 1 . . . . . . . . 5862 1 847 . 1 1 84 84 ARG HB2 H 1 1.8600 0.01 . 1 . . . . . . . . 5862 1 848 . 1 1 84 84 ARG CD C 13 43.5400 0.3 . 1 . . . . . . . . 5862 1 849 . 1 1 84 84 ARG HD2 H 1 3.2300 0.01 . 1 . . . . . . . . 5862 1 850 . 1 1 85 85 ARG H H 1 7.8500 0.01 . 1 . . . . . . . . 5862 1 851 . 1 1 85 85 ARG N N 15 114.3500 0.25 . 1 . . . . . . . . 5862 1 852 . 1 1 85 85 ARG CA C 13 56.6100 0.3 . 1 . . . . . . . . 5862 1 853 . 1 1 85 85 ARG HA H 1 4.2300 0.01 . 1 . . . . . . . . 5862 1 854 . 1 1 85 85 ARG CB C 13 29.3600 0.3 . 1 . . . . . . . . 5862 1 855 . 1 1 85 85 ARG HB2 H 1 1.9800 0.01 . 1 . . . . . . . . 5862 1 856 . 1 1 85 85 ARG CD C 13 43.4800 0.3 . 1 . . . . . . . . 5862 1 857 . 1 1 85 85 ARG HD2 H 1 3.2800 0.01 . 1 . . . . . . . . 5862 1 858 . 1 1 86 86 ALA H H 1 7.9800 0.01 . 1 . . . . . . . . 5862 1 859 . 1 1 86 86 ALA N N 15 127.0600 0.25 . 1 . . . . . . . . 5862 1 860 . 1 1 86 86 ALA CA C 13 51.0000 0.3 . 1 . . . . . . . . 5862 1 861 . 1 1 86 86 ALA HA H 1 4.0300 0.01 . 1 . . . . . . . . 5862 1 862 . 1 1 86 86 ALA CB C 13 17.6500 0.3 . 1 . . . . . . . . 5862 1 863 . 1 1 86 86 ALA HB1 H 1 0.9400 0.01 . 1 . . . . . . . . 5862 1 864 . 1 1 86 86 ALA HB2 H 1 0.9400 0.01 . 1 . . . . . . . . 5862 1 865 . 1 1 86 86 ALA HB3 H 1 0.9400 0.01 . 1 . . . . . . . . 5862 1 866 . 1 1 87 87 THR H H 1 7.0500 0.01 . 1 . . . . . . . . 5862 1 867 . 1 1 87 87 THR N N 15 111.8000 0.25 . 1 . . . . . . . . 5862 1 868 . 1 1 87 87 THR CA C 13 59.8400 0.3 . 1 . . . . . . . . 5862 1 869 . 1 1 87 87 THR HA H 1 4.7100 0.01 . 1 . . . . . . . . 5862 1 870 . 1 1 87 87 THR CB C 13 71.8700 0.3 . 1 . . . . . . . . 5862 1 871 . 1 1 87 87 THR HB H 1 4.0000 0.01 . 1 . . . . . . . . 5862 1 872 . 1 1 87 87 THR CG2 C 13 22.3000 0.3 . 1 . . . . . . . . 5862 1 873 . 1 1 87 87 THR HG21 H 1 1.0600 0.01 . 1 . . . . . . . . 5862 1 874 . 1 1 87 87 THR HG22 H 1 1.0600 0.01 . 1 . . . . . . . . 5862 1 875 . 1 1 87 87 THR HG23 H 1 1.0600 0.01 . 1 . . . . . . . . 5862 1 876 . 1 1 88 88 LEU H H 1 8.8800 0.01 . 1 . . . . . . . . 5862 1 877 . 1 1 88 88 LEU N N 15 120.7900 0.25 . 1 . . . . . . . . 5862 1 878 . 1 1 88 88 LEU CA C 13 57.8900 0.3 . 1 . . . . . . . . 5862 1 879 . 1 1 88 88 LEU HA H 1 4.0300 0.01 . 1 . . . . . . . . 5862 1 880 . 1 1 88 88 LEU CB C 13 43.8400 0.3 . 1 . . . . . . . . 5862 1 881 . 1 1 88 88 LEU HB2 H 1 2.1500 0.01 . 1 . . . . . . . . 5862 1 882 . 1 1 88 88 LEU HB3 H 1 1.6200 0.01 . 1 . . . . . . . . 5862 1 883 . 1 1 88 88 LEU CD1 C 13 26.3500 0.3 . 2 . . . . . . . . 5862 1 884 . 1 1 88 88 LEU HD11 H 1 0.8500 0.01 . 1 . . . . . . . . 5862 1 885 . 1 1 88 88 LEU HD12 H 1 0.8500 0.01 . 1 . . . . . . . . 5862 1 886 . 1 1 88 88 LEU HD13 H 1 0.8500 0.01 . 1 . . . . . . . . 5862 1 887 . 1 1 88 88 LEU CD2 C 13 22.5500 0.3 . 2 . . . . . . . . 5862 1 888 . 1 1 88 88 LEU HD21 H 1 0.8500 0.01 . 1 . . . . . . . . 5862 1 889 . 1 1 88 88 LEU HD22 H 1 0.8500 0.01 . 1 . . . . . . . . 5862 1 890 . 1 1 88 88 LEU HD23 H 1 0.8500 0.01 . 1 . . . . . . . . 5862 1 891 . 1 1 89 89 GLN H H 1 8.2600 0.01 . 1 . . . . . . . . 5862 1 892 . 1 1 89 89 GLN N N 15 116.7500 0.25 . 1 . . . . . . . . 5862 1 893 . 1 1 89 89 GLN CA C 13 59.5400 0.3 . 1 . . . . . . . . 5862 1 894 . 1 1 89 89 GLN HA H 1 2.6500 0.01 . 1 . . . . . . . . 5862 1 895 . 1 1 89 89 GLN CB C 13 28.3200 0.3 . 1 . . . . . . . . 5862 1 896 . 1 1 89 89 GLN HB2 H 1 0.9300 0.01 . 1 . . . . . . . . 5862 1 897 . 1 1 89 89 GLN HB3 H 1 1.4100 0.01 . 1 . . . . . . . . 5862 1 898 . 1 1 89 89 GLN CG C 13 32.0900 0.3 . 1 . . . . . . . . 5862 1 899 . 1 1 89 89 GLN HG2 H 1 1.6800 0.01 . 1 . . . . . . . . 5862 1 900 . 1 1 89 89 GLN HG3 H 1 1.3400 0.01 . 1 . . . . . . . . 5862 1 901 . 1 1 89 89 GLN NE2 N 15 110.7000 0.25 . 1 . . . . . . . . 5862 1 902 . 1 1 89 89 GLN HE21 H 1 6.6600 0.01 . 2 . . . . . . . . 5862 1 903 . 1 1 89 89 GLN HE22 H 1 7.4500 0.01 . 2 . . . . . . . . 5862 1 904 . 1 1 90 90 ARG H H 1 7.1200 0.01 . 1 . . . . . . . . 5862 1 905 . 1 1 90 90 ARG N N 15 115.3000 0.25 . 1 . . . . . . . . 5862 1 906 . 1 1 90 90 ARG CA C 13 58.9000 0.3 . 1 . . . . . . . . 5862 1 907 . 1 1 90 90 ARG HA H 1 3.9400 0.01 . 1 . . . . . . . . 5862 1 908 . 1 1 90 90 ARG CB C 13 31.3900 0.3 . 1 . . . . . . . . 5862 1 909 . 1 1 90 90 ARG HB2 H 1 1.9400 0.01 . 1 . . . . . . . . 5862 1 910 . 1 1 90 90 ARG CG C 13 28.6500 0.3 . 1 . . . . . . . . 5862 1 911 . 1 1 90 90 ARG CD C 13 45.3600 0.3 . 1 . . . . . . . . 5862 1 912 . 1 1 90 90 ARG HD2 H 1 3.4000 0.01 . 1 . . . . . . . . 5862 1 913 . 1 1 90 90 ARG HD3 H 1 3.5600 0.01 . 1 . . . . . . . . 5862 1 914 . 1 1 91 91 LEU H H 1 7.5200 0.01 . 1 . . . . . . . . 5862 1 915 . 1 1 91 91 LEU N N 15 118.4000 0.25 . 1 . . . . . . . . 5862 1 916 . 1 1 91 91 LEU CA C 13 57.6500 0.3 . 1 . . . . . . . . 5862 1 917 . 1 1 91 91 LEU HA H 1 3.9900 0.01 . 1 . . . . . . . . 5862 1 918 . 1 1 91 91 LEU CB C 13 42.7200 0.3 . 1 . . . . . . . . 5862 1 919 . 1 1 91 91 LEU HB2 H 1 1.9700 0.01 . 1 . . . . . . . . 5862 1 920 . 1 1 91 91 LEU HB3 H 1 1.1500 0.01 . 1 . . . . . . . . 5862 1 921 . 1 1 91 91 LEU CG C 13 24.5000 0.3 . 1 . . . . . . . . 5862 1 922 . 1 1 91 91 LEU CD1 C 13 22.7000 0.3 . 1 . . . . . . . . 5862 1 923 . 1 1 91 91 LEU HD11 H 1 0.4400 0.01 . 1 . . . . . . . . 5862 1 924 . 1 1 91 91 LEU HD12 H 1 0.4400 0.01 . 1 . . . . . . . . 5862 1 925 . 1 1 91 91 LEU HD13 H 1 0.4400 0.01 . 1 . . . . . . . . 5862 1 926 . 1 1 91 91 LEU CD2 C 13 27.5200 0.3 . 1 . . . . . . . . 5862 1 927 . 1 1 91 91 LEU HD21 H 1 0.6500 0.01 . 1 . . . . . . . . 5862 1 928 . 1 1 91 91 LEU HD22 H 1 0.6500 0.01 . 1 . . . . . . . . 5862 1 929 . 1 1 91 91 LEU HD23 H 1 0.6500 0.01 . 1 . . . . . . . . 5862 1 930 . 1 1 91 91 LEU HG H 1 1.1300 0.01 . 1 . . . . . . . . 5862 1 931 . 1 1 92 92 VAL H H 1 8.9600 0.01 . 1 . . . . . . . . 5862 1 932 . 1 1 92 92 VAL N N 15 118.9300 0.25 . 1 . . . . . . . . 5862 1 933 . 1 1 92 92 VAL CA C 13 67.8800 0.3 . 1 . . . . . . . . 5862 1 934 . 1 1 92 92 VAL HA H 1 3.4400 0.01 . 1 . . . . . . . . 5862 1 935 . 1 1 92 92 VAL CB C 13 31.1400 0.3 . 1 . . . . . . . . 5862 1 936 . 1 1 92 92 VAL HB H 1 2.1200 0.01 . 1 . . . . . . . . 5862 1 937 . 1 1 92 92 VAL CG1 C 13 27.1000 0.3 . 1 . . . . . . . . 5862 1 938 . 1 1 92 92 VAL HG11 H 1 0.8700 0.01 . 1 . . . . . . . . 5862 1 939 . 1 1 92 92 VAL HG12 H 1 0.8700 0.01 . 1 . . . . . . . . 5862 1 940 . 1 1 92 92 VAL HG13 H 1 0.8700 0.01 . 1 . . . . . . . . 5862 1 941 . 1 1 92 92 VAL CG2 C 13 22.4800 0.3 . 1 . . . . . . . . 5862 1 942 . 1 1 92 92 VAL HG21 H 1 1.0200 0.01 . 1 . . . . . . . . 5862 1 943 . 1 1 92 92 VAL HG22 H 1 1.0200 0.01 . 1 . . . . . . . . 5862 1 944 . 1 1 92 92 VAL HG23 H 1 1.0200 0.01 . 1 . . . . . . . . 5862 1 945 . 1 1 93 93 GLU H H 1 8.3900 0.01 . 1 . . . . . . . . 5862 1 946 . 1 1 93 93 GLU N N 15 119.4700 0.25 . 1 . . . . . . . . 5862 1 947 . 1 1 93 93 GLU CA C 13 59.9600 0.3 . 1 . . . . . . . . 5862 1 948 . 1 1 93 93 GLU HA H 1 4.1700 0.01 . 1 . . . . . . . . 5862 1 949 . 1 1 93 93 GLU CB C 13 28.9600 0.3 . 1 . . . . . . . . 5862 1 950 . 1 1 93 93 GLU HB2 H 1 2.0500 0.01 . 1 . . . . . . . . 5862 1 951 . 1 1 93 93 GLU CG C 13 34.5000 0.3 . 1 . . . . . . . . 5862 1 952 . 1 1 94 94 ALA H H 1 7.2400 0.01 . 1 . . . . . . . . 5862 1 953 . 1 1 94 94 ALA N N 15 120.9200 0.25 . 1 . . . . . . . . 5862 1 954 . 1 1 94 94 ALA CA C 13 55.0500 0.3 . 1 . . . . . . . . 5862 1 955 . 1 1 94 94 ALA HA H 1 4.1700 0.01 . 1 . . . . . . . . 5862 1 956 . 1 1 94 94 ALA CB C 13 18.8300 0.3 . 1 . . . . . . . . 5862 1 957 . 1 1 94 94 ALA HB1 H 1 1.4500 0.01 . 1 . . . . . . . . 5862 1 958 . 1 1 94 94 ALA HB2 H 1 1.4500 0.01 . 1 . . . . . . . . 5862 1 959 . 1 1 94 94 ALA HB3 H 1 1.4500 0.01 . 1 . . . . . . . . 5862 1 960 . 1 1 95 95 LEU H H 1 8.5400 0.01 . 1 . . . . . . . . 5862 1 961 . 1 1 95 95 LEU N N 15 119.7500 0.25 . 1 . . . . . . . . 5862 1 962 . 1 1 95 95 LEU CA C 13 58.4600 0.3 . 1 . . . . . . . . 5862 1 963 . 1 1 95 95 LEU HA H 1 4.0900 0.01 . 1 . . . . . . . . 5862 1 964 . 1 1 95 95 LEU CB C 13 40.0800 0.3 . 1 . . . . . . . . 5862 1 965 . 1 1 95 95 LEU HB2 H 1 2.2300 0.01 . 1 . . . . . . . . 5862 1 966 . 1 1 95 95 LEU HB3 H 1 1.6600 0.01 . 1 . . . . . . . . 5862 1 967 . 1 1 95 95 LEU CG C 13 26.8200 0.3 . 1 . . . . . . . . 5862 1 968 . 1 1 95 95 LEU CD1 C 13 26.8400 0.3 . 1 . . . . . . . . 5862 1 969 . 1 1 95 95 LEU HD11 H 1 0.8600 0.01 . 1 . . . . . . . . 5862 1 970 . 1 1 95 95 LEU HD12 H 1 0.8600 0.01 . 1 . . . . . . . . 5862 1 971 . 1 1 95 95 LEU HD13 H 1 0.8600 0.01 . 1 . . . . . . . . 5862 1 972 . 1 1 95 95 LEU CD2 C 13 24.2100 0.3 . 1 . . . . . . . . 5862 1 973 . 1 1 95 95 LEU HD21 H 1 1.1000 0.01 . 1 . . . . . . . . 5862 1 974 . 1 1 95 95 LEU HD22 H 1 1.1000 0.01 . 1 . . . . . . . . 5862 1 975 . 1 1 95 95 LEU HD23 H 1 1.1000 0.01 . 1 . . . . . . . . 5862 1 976 . 1 1 95 95 LEU HG H 1 2.1500 0.01 . 1 . . . . . . . . 5862 1 977 . 1 1 96 96 GLU H H 1 8.9400 0.01 . 1 . . . . . . . . 5862 1 978 . 1 1 96 96 GLU N N 15 121.3100 0.25 . 1 . . . . . . . . 5862 1 979 . 1 1 96 96 GLU CA C 13 59.8000 0.3 . 1 . . . . . . . . 5862 1 980 . 1 1 96 96 GLU HA H 1 4.0200 0.01 . 1 . . . . . . . . 5862 1 981 . 1 1 96 96 GLU CB C 13 29.8000 0.3 . 1 . . . . . . . . 5862 1 982 . 1 1 96 96 GLU HB2 H 1 2.4000 0.01 . 1 . . . . . . . . 5862 1 983 . 1 1 96 96 GLU HB3 H 1 2.2300 0.01 . 1 . . . . . . . . 5862 1 984 . 1 1 96 96 GLU CG C 13 35.0700 0.3 . 1 . . . . . . . . 5862 1 985 . 1 1 96 96 GLU HG2 H 1 2.7600 0.01 . 1 . . . . . . . . 5862 1 986 . 1 1 96 96 GLU HG3 H 1 2.5500 0.01 . 1 . . . . . . . . 5862 1 987 . 1 1 97 97 GLU H H 1 7.9800 0.01 . 1 . . . . . . . . 5862 1 988 . 1 1 97 97 GLU N N 15 118.7000 0.25 . 1 . . . . . . . . 5862 1 989 . 1 1 97 97 GLU CA C 13 58.4000 0.3 . 1 . . . . . . . . 5862 1 990 . 1 1 97 97 GLU HA H 1 4.2200 0.01 . 1 . . . . . . . . 5862 1 991 . 1 1 97 97 GLU CB C 13 29.8000 0.3 . 1 . . . . . . . . 5862 1 992 . 1 1 97 97 GLU HB2 H 1 2.1600 0.01 . 1 . . . . . . . . 5862 1 993 . 1 1 97 97 GLU CG C 13 36.4800 0.3 . 1 . . . . . . . . 5862 1 994 . 1 1 97 97 GLU HG2 H 1 2.5500 0.01 . 1 . . . . . . . . 5862 1 995 . 1 1 98 98 ASN H H 1 7.1500 0.01 . 1 . . . . . . . . 5862 1 996 . 1 1 98 98 ASN N N 15 114.8000 0.25 . 1 . . . . . . . . 5862 1 997 . 1 1 98 98 ASN CA C 13 53.8000 0.3 . 1 . . . . . . . . 5862 1 998 . 1 1 98 98 ASN HA H 1 4.9500 0.01 . 1 . . . . . . . . 5862 1 999 . 1 1 98 98 ASN CB C 13 40.9000 0.3 . 1 . . . . . . . . 5862 1 1000 . 1 1 98 98 ASN HB2 H 1 2.3100 0.01 . 1 . . . . . . . . 5862 1 1001 . 1 1 98 98 ASN HB3 H 1 2.8800 0.01 . 1 . . . . . . . . 5862 1 1002 . 1 1 99 99 GLU H H 1 7.9600 0.01 . 1 . . . . . . . . 5862 1 1003 . 1 1 99 99 GLU N N 15 112.5000 0.25 . 1 . . . . . . . . 5862 1 1004 . 1 1 99 99 GLU CA C 13 57.9000 0.3 . 1 . . . . . . . . 5862 1 1005 . 1 1 99 99 GLU HA H 1 4.1100 0.01 . 1 . . . . . . . . 5862 1 1006 . 1 1 99 99 GLU CB C 13 26.4600 0.3 . 1 . . . . . . . . 5862 1 1007 . 1 1 99 99 GLU HB2 H 1 2.2500 0.01 . 1 . . . . . . . . 5862 1 1008 . 1 1 99 99 GLU CG C 13 36.0300 0.3 . 1 . . . . . . . . 5862 1 1009 . 1 1 100 100 LEU H H 1 8.0600 0.01 . 1 . . . . . . . . 5862 1 1010 . 1 1 100 100 LEU N N 15 120.9000 0.25 . 1 . . . . . . . . 5862 1 1011 . 1 1 100 100 LEU CA C 13 53.4200 0.3 . 1 . . . . . . . . 5862 1 1012 . 1 1 100 100 LEU HA H 1 5.0100 0.01 . 1 . . . . . . . . 5862 1 1013 . 1 1 100 100 LEU CB C 13 41.4400 0.3 . 1 . . . . . . . . 5862 1 1014 . 1 1 100 100 LEU HB2 H 1 1.8100 0.01 . 1 . . . . . . . . 5862 1 1015 . 1 1 100 100 LEU HB3 H 1 1.7100 0.01 . 1 . . . . . . . . 5862 1 1016 . 1 1 100 100 LEU CG C 13 25.9000 0.3 . 1 . . . . . . . . 5862 1 1017 . 1 1 100 100 LEU CD1 C 13 23.8300 0.3 . 1 . . . . . . . . 5862 1 1018 . 1 1 100 100 LEU HD11 H 1 0.9900 0.01 . 1 . . . . . . . . 5862 1 1019 . 1 1 100 100 LEU HD12 H 1 0.9900 0.01 . 1 . . . . . . . . 5862 1 1020 . 1 1 100 100 LEU HD13 H 1 0.9900 0.01 . 1 . . . . . . . . 5862 1 1021 . 1 1 100 100 LEU CD2 C 13 28.3500 0.3 . 1 . . . . . . . . 5862 1 1022 . 1 1 100 100 LEU HD21 H 1 0.8700 0.01 . 1 . . . . . . . . 5862 1 1023 . 1 1 100 100 LEU HD22 H 1 0.8700 0.01 . 1 . . . . . . . . 5862 1 1024 . 1 1 100 100 LEU HD23 H 1 0.8700 0.01 . 1 . . . . . . . . 5862 1 1025 . 1 1 100 100 LEU HG H 1 1.7000 0.01 . 1 . . . . . . . . 5862 1 1026 . 1 1 101 101 THR H H 1 7.6800 0.01 . 1 . . . . . . . . 5862 1 1027 . 1 1 101 101 THR N N 15 116.7200 0.25 . 1 . . . . . . . . 5862 1 1028 . 1 1 101 101 THR CA C 13 67.3000 0.3 . 1 . . . . . . . . 5862 1 1029 . 1 1 101 101 THR HA H 1 3.8300 0.01 . 1 . . . . . . . . 5862 1 1030 . 1 1 101 101 THR CB C 13 68.3000 0.3 . 1 . . . . . . . . 5862 1 1031 . 1 1 101 101 THR HB H 1 4.1700 0.01 . 1 . . . . . . . . 5862 1 1032 . 1 1 101 101 THR CG2 C 13 23.2200 0.3 . 1 . . . . . . . . 5862 1 1033 . 1 1 101 101 THR HG21 H 1 1.3500 0.01 . 1 . . . . . . . . 5862 1 1034 . 1 1 101 101 THR HG22 H 1 1.3500 0.01 . 1 . . . . . . . . 5862 1 1035 . 1 1 101 101 THR HG23 H 1 1.3500 0.01 . 1 . . . . . . . . 5862 1 1036 . 1 1 102 102 SER H H 1 8.7500 0.01 . 1 . . . . . . . . 5862 1 1037 . 1 1 102 102 SER N N 15 117.0000 0.25 . 1 . . . . . . . . 5862 1 1038 . 1 1 102 102 SER CA C 13 61.8500 0.3 . 1 . . . . . . . . 5862 1 1039 . 1 1 102 102 SER HA H 1 4.2700 0.01 . 1 . . . . . . . . 5862 1 1040 . 1 1 102 102 SER CB C 13 68.3000 0.3 . 1 . . . . . . . . 5862 1 1041 . 1 1 102 102 SER HB2 H 1 3.9500 0.01 . 1 . . . . . . . . 5862 1 1042 . 1 1 103 103 LEU H H 1 7.4100 0.01 . 1 . . . . . . . . 5862 1 1043 . 1 1 103 103 LEU N N 15 124.5600 0.25 . 1 . . . . . . . . 5862 1 1044 . 1 1 103 103 LEU CA C 13 57.4700 0.3 . 1 . . . . . . . . 5862 1 1045 . 1 1 103 103 LEU HA H 1 4.3700 0.01 . 1 . . . . . . . . 5862 1 1046 . 1 1 103 103 LEU CB C 13 41.7700 0.3 . 1 . . . . . . . . 5862 1 1047 . 1 1 103 103 LEU HB2 H 1 1.7200 0.01 . 1 . . . . . . . . 5862 1 1048 . 1 1 103 103 LEU HB3 H 1 1.9700 0.01 . 1 . . . . . . . . 5862 1 1049 . 1 1 103 103 LEU CG C 13 28.2100 0.3 . 1 . . . . . . . . 5862 1 1050 . 1 1 103 103 LEU CD1 C 13 25.6600 0.3 . 2 . . . . . . . . 5862 1 1051 . 1 1 103 103 LEU HD11 H 1 0.9900 0.01 . 2 . . . . . . . . 5862 1 1052 . 1 1 103 103 LEU HD12 H 1 0.9900 0.01 . 2 . . . . . . . . 5862 1 1053 . 1 1 103 103 LEU HD13 H 1 0.9900 0.01 . 2 . . . . . . . . 5862 1 1054 . 1 1 103 103 LEU CD2 C 13 23.9200 0.3 . 2 . . . . . . . . 5862 1 1055 . 1 1 103 103 LEU HD21 H 1 1.0500 0.01 . 2 . . . . . . . . 5862 1 1056 . 1 1 103 103 LEU HD22 H 1 1.0500 0.01 . 2 . . . . . . . . 5862 1 1057 . 1 1 103 103 LEU HD23 H 1 1.0500 0.01 . 2 . . . . . . . . 5862 1 1058 . 1 1 103 103 LEU HG H 1 1.7500 0.01 . 1 . . . . . . . . 5862 1 1059 . 1 1 104 104 ALA H H 1 7.7900 0.01 . 1 . . . . . . . . 5862 1 1060 . 1 1 104 104 ALA N N 15 121.1000 0.25 . 1 . . . . . . . . 5862 1 1061 . 1 1 104 104 ALA CA C 13 55.8300 0.3 . 1 . . . . . . . . 5862 1 1062 . 1 1 104 104 ALA HA H 1 3.7800 0.01 . 1 . . . . . . . . 5862 1 1063 . 1 1 104 104 ALA CB C 13 18.3300 0.3 . 1 . . . . . . . . 5862 1 1064 . 1 1 104 104 ALA HB1 H 1 1.4900 0.01 . 1 . . . . . . . . 5862 1 1065 . 1 1 104 104 ALA HB2 H 1 1.4900 0.01 . 1 . . . . . . . . 5862 1 1066 . 1 1 104 104 ALA HB3 H 1 1.4900 0.01 . 1 . . . . . . . . 5862 1 1067 . 1 1 105 105 GLU H H 1 8.3800 0.01 . 1 . . . . . . . . 5862 1 1068 . 1 1 105 105 GLU N N 15 115.2600 0.25 . 1 . . . . . . . . 5862 1 1069 . 1 1 105 105 GLU CA C 13 60.1800 0.3 . 1 . . . . . . . . 5862 1 1070 . 1 1 105 105 GLU HA H 1 3.6600 0.01 . 1 . . . . . . . . 5862 1 1071 . 1 1 105 105 GLU CB C 13 28.4500 0.3 . 1 . . . . . . . . 5862 1 1072 . 1 1 105 105 GLU HB2 H 1 2.4200 0.01 . 1 . . . . . . . . 5862 1 1073 . 1 1 105 105 GLU HB3 H 1 2.0700 0.01 . 1 . . . . . . . . 5862 1 1074 . 1 1 105 105 GLU CG C 13 35.0000 0.3 . 1 . . . . . . . . 5862 1 1075 . 1 1 106 106 ASP H H 1 7.8400 0.01 . 1 . . . . . . . . 5862 1 1076 . 1 1 106 106 ASP N N 15 119.8300 0.25 . 1 . . . . . . . . 5862 1 1077 . 1 1 106 106 ASP CA C 13 57.0800 0.3 . 1 . . . . . . . . 5862 1 1078 . 1 1 106 106 ASP HA H 1 4.4700 0.01 . 1 . . . . . . . . 5862 1 1079 . 1 1 106 106 ASP CB C 13 40.3800 0.3 . 1 . . . . . . . . 5862 1 1080 . 1 1 106 106 ASP HB2 H 1 2.8600 0.01 . 1 . . . . . . . . 5862 1 1081 . 1 1 106 106 ASP HB3 H 1 3.0400 0.01 . 1 . . . . . . . . 5862 1 1082 . 1 1 107 107 LEU H H 1 8.2300 0.01 . 1 . . . . . . . . 5862 1 1083 . 1 1 107 107 LEU N N 15 120.2000 0.25 . 1 . . . . . . . . 5862 1 1084 . 1 1 107 107 LEU CA C 13 57.8000 0.3 . 1 . . . . . . . . 5862 1 1085 . 1 1 107 107 LEU HA H 1 4.0600 0.01 . 1 . . . . . . . . 5862 1 1086 . 1 1 107 107 LEU CB C 13 42.5000 0.3 . 1 . . . . . . . . 5862 1 1087 . 1 1 107 107 LEU HB2 H 1 1.8900 0.01 . 1 . . . . . . . . 5862 1 1088 . 1 1 107 107 LEU HB3 H 1 1.3700 0.01 . 1 . . . . . . . . 5862 1 1089 . 1 1 107 107 LEU CG C 13 24.0600 0.3 . 1 . . . . . . . . 5862 1 1090 . 1 1 107 107 LEU CD1 C 13 27.4700 0.3 . 1 . . . . . . . . 5862 1 1091 . 1 1 107 107 LEU HD11 H 1 0.8100 0.01 . 1 . . . . . . . . 5862 1 1092 . 1 1 107 107 LEU HD12 H 1 0.8100 0.01 . 1 . . . . . . . . 5862 1 1093 . 1 1 107 107 LEU HD13 H 1 0.8100 0.01 . 1 . . . . . . . . 5862 1 1094 . 1 1 107 107 LEU CD2 C 13 24.9600 0.3 . 1 . . . . . . . . 5862 1 1095 . 1 1 107 107 LEU HD21 H 1 0.9700 0.01 . 1 . . . . . . . . 5862 1 1096 . 1 1 107 107 LEU HD22 H 1 0.9700 0.01 . 1 . . . . . . . . 5862 1 1097 . 1 1 107 107 LEU HD23 H 1 0.9700 0.01 . 1 . . . . . . . . 5862 1 1098 . 1 1 108 108 LEU H H 1 7.7200 0.01 . 1 . . . . . . . . 5862 1 1099 . 1 1 108 108 LEU N N 15 116.2000 0.25 . 1 . . . . . . . . 5862 1 1100 . 1 1 108 108 LEU CA C 13 55.4200 0.3 . 1 . . . . . . . . 5862 1 1101 . 1 1 108 108 LEU HA H 1 4.1500 0.01 . 1 . . . . . . . . 5862 1 1102 . 1 1 108 108 LEU CB C 13 42.6900 0.3 . 1 . . . . . . . . 5862 1 1103 . 1 1 108 108 LEU HB2 H 1 1.5100 0.01 . 1 . . . . . . . . 5862 1 1104 . 1 1 108 108 LEU HB3 H 1 1.6100 0.01 . 1 . . . . . . . . 5862 1 1105 . 1 1 108 108 LEU CG C 13 27.0300 0.3 . 1 . . . . . . . . 5862 1 1106 . 1 1 108 108 LEU CD1 C 13 25.6300 0.3 . 2 . . . . . . . . 5862 1 1107 . 1 1 108 108 LEU HD11 H 1 0.2100 0.01 . 2 . . . . . . . . 5862 1 1108 . 1 1 108 108 LEU HD12 H 1 0.2100 0.01 . 2 . . . . . . . . 5862 1 1109 . 1 1 108 108 LEU HD13 H 1 0.2100 0.01 . 2 . . . . . . . . 5862 1 1110 . 1 1 108 108 LEU CD2 C 13 24.1300 0.3 . 2 . . . . . . . . 5862 1 1111 . 1 1 108 108 LEU HD21 H 1 0.7800 0.01 . 2 . . . . . . . . 5862 1 1112 . 1 1 108 108 LEU HD22 H 1 0.7800 0.01 . 2 . . . . . . . . 5862 1 1113 . 1 1 108 108 LEU HD23 H 1 0.7800 0.01 . 2 . . . . . . . . 5862 1 1114 . 1 1 108 108 LEU HG H 1 1.6700 0.01 . 1 . . . . . . . . 5862 1 1115 . 1 1 109 109 GLY H H 1 7.8700 0.01 . 1 . . . . . . . . 5862 1 1116 . 1 1 109 109 GLY N N 15 108.3000 0.25 . 1 . . . . . . . . 5862 1 1117 . 1 1 109 109 GLY CA C 13 46.4600 0.3 . 1 . . . . . . . . 5862 1 1118 . 1 1 109 109 GLY HA2 H 1 4.0300 0.01 . 1 . . . . . . . . 5862 1 1119 . 1 1 110 110 LEU H H 1 8.0100 0.01 . 1 . . . . . . . . 5862 1 1120 . 1 1 110 110 LEU N N 15 119.3600 0.25 . 1 . . . . . . . . 5862 1 1121 . 1 1 110 110 LEU CA C 13 54.8000 0.3 . 1 . . . . . . . . 5862 1 1122 . 1 1 110 110 LEU HA H 1 4.4400 0.01 . 1 . . . . . . . . 5862 1 1123 . 1 1 110 110 LEU CB C 13 42.7000 0.3 . 1 . . . . . . . . 5862 1 1124 . 1 1 110 110 LEU HB2 H 1 1.6200 0.01 . 1 . . . . . . . . 5862 1 1125 . 1 1 110 110 LEU CG C 13 26.7500 0.3 . 1 . . . . . . . . 5862 1 1126 . 1 1 110 110 LEU CD1 C 13 26.2900 0.3 . 2 . . . . . . . . 5862 1 1127 . 1 1 110 110 LEU HD11 H 1 0.8800 0.01 . 2 . . . . . . . . 5862 1 1128 . 1 1 110 110 LEU HD12 H 1 0.8800 0.01 . 2 . . . . . . . . 5862 1 1129 . 1 1 110 110 LEU HD13 H 1 0.8800 0.01 . 2 . . . . . . . . 5862 1 1130 . 1 1 110 110 LEU CD2 C 13 22.7500 0.3 . 2 . . . . . . . . 5862 1 1131 . 1 1 110 110 LEU HD21 H 1 0.8600 0.01 . 2 . . . . . . . . 5862 1 1132 . 1 1 110 110 LEU HD22 H 1 0.8600 0.01 . 2 . . . . . . . . 5862 1 1133 . 1 1 110 110 LEU HD23 H 1 0.8600 0.01 . 2 . . . . . . . . 5862 1 1134 . 1 1 110 110 LEU HG H 1 1.5600 0.01 . 1 . . . . . . . . 5862 1 1135 . 1 1 111 111 THR H H 1 7.7700 0.01 . 1 . . . . . . . . 5862 1 1136 . 1 1 111 111 THR N N 15 112.6500 0.25 . 1 . . . . . . . . 5862 1 1137 . 1 1 111 111 THR CA C 13 61.5000 0.3 . 1 . . . . . . . . 5862 1 1138 . 1 1 111 111 THR HA H 1 4.2800 0.01 . 1 . . . . . . . . 5862 1 1139 . 1 1 111 111 THR CB C 13 69.9000 0.3 . 1 . . . . . . . . 5862 1 1140 . 1 1 111 111 THR HB H 1 4.1700 0.01 . 1 . . . . . . . . 5862 1 1141 . 1 1 111 111 THR CG2 C 13 22.1600 0.3 . 1 . . . . . . . . 5862 1 1142 . 1 1 111 111 THR HG21 H 1 1.1300 0.01 . 1 . . . . . . . . 5862 1 1143 . 1 1 111 111 THR HG22 H 1 1.1300 0.01 . 1 . . . . . . . . 5862 1 1144 . 1 1 111 111 THR HG23 H 1 1.1300 0.01 . 1 . . . . . . . . 5862 1 1145 . 1 1 112 112 ASP H H 1 8.3200 0.01 . 1 . . . . . . . . 5862 1 1146 . 1 1 112 112 ASP N N 15 123.7200 0.25 . 1 . . . . . . . . 5862 1 1147 . 1 1 112 112 ASP CA C 13 52.0700 0.3 . 1 . . . . . . . . 5862 1 1148 . 1 1 112 112 ASP HA H 1 4.9000 0.01 . 1 . . . . . . . . 5862 1 1149 . 1 1 112 112 ASP CB C 13 41.5900 0.3 . 1 . . . . . . . . 5862 1 1150 . 1 1 112 112 ASP HB2 H 1 2.8000 0.01 . 1 . . . . . . . . 5862 1 1151 . 1 1 112 112 ASP HB3 H 1 2.6600 0.01 . 1 . . . . . . . . 5862 1 1152 . 1 1 113 113 PRO CA C 13 64.2000 0.3 . 1 . . . . . . . . 5862 1 1153 . 1 1 113 113 PRO HA H 1 4.4200 0.01 . 1 . . . . . . . . 5862 1 1154 . 1 1 113 113 PRO CB C 13 32.1000 0.3 . 1 . . . . . . . . 5862 1 1155 . 1 1 113 113 PRO HB2 H 1 2.3100 0.01 . 1 . . . . . . . . 5862 1 1156 . 1 1 113 113 PRO HB3 H 1 1.9600 0.01 . 1 . . . . . . . . 5862 1 1157 . 1 1 113 113 PRO CD C 13 51.2000 0.3 . 1 . . . . . . . . 5862 1 1158 . 1 1 113 113 PRO HD2 H 1 3.8600 0.01 . 1 . . . . . . . . 5862 1 1159 . 1 1 114 114 ASN H H 1 8.4900 0.01 . 1 . . . . . . . . 5862 1 1160 . 1 1 114 114 ASN N N 15 116.7800 0.25 . 1 . . . . . . . . 5862 1 1161 . 1 1 114 114 ASN CA C 13 53.5000 0.3 . 1 . . . . . . . . 5862 1 1162 . 1 1 114 114 ASN HA H 1 4.7600 0.01 . 1 . . . . . . . . 5862 1 1163 . 1 1 114 114 ASN CB C 13 39.0300 0.3 . 1 . . . . . . . . 5862 1 1164 . 1 1 114 114 ASN HB2 H 1 2.7700 0.01 . 1 . . . . . . . . 5862 1 1165 . 1 1 114 114 ASN HB3 H 1 2.8900 0.01 . 1 . . . . . . . . 5862 1 1166 . 1 1 114 114 ASN ND2 N 15 113.9000 0.25 . 1 . . . . . . . . 5862 1 1167 . 1 1 114 114 ASN HD21 H 1 6.9400 0.01 . 2 . . . . . . . . 5862 1 1168 . 1 1 114 114 ASN HD22 H 1 7.7300 0.01 . 2 . . . . . . . . 5862 1 1169 . 1 1 115 115 GLY H H 1 8.0800 0.01 . 1 . . . . . . . . 5862 1 1170 . 1 1 115 115 GLY N N 15 108.7000 0.25 . 1 . . . . . . . . 5862 1 1171 . 1 1 115 115 GLY CA C 13 46.0200 0.3 . 1 . . . . . . . . 5862 1 1172 . 1 1 115 115 GLY HA2 H 1 3.9600 0.01 . 1 . . . . . . . . 5862 1 1173 . 1 1 116 116 GLY H H 1 8.2900 0.01 . 1 . . . . . . . . 5862 1 1174 . 1 1 116 116 GLY N N 15 108.6000 0.25 . 1 . . . . . . . . 5862 1 1175 . 1 1 116 116 GLY CA C 13 45.7500 0.3 . 1 . . . . . . . . 5862 1 1176 . 1 1 116 116 GLY HA2 H 1 3.9600 0.01 . 1 . . . . . . . . 5862 1 1177 . 1 1 117 117 LEU H H 1 8.1100 0.01 . 1 . . . . . . . . 5862 1 1178 . 1 1 117 117 LEU N N 15 121.4000 0.25 . 1 . . . . . . . . 5862 1 1179 . 1 1 117 117 LEU CA C 13 55.8100 0.3 . 1 . . . . . . . . 5862 1 1180 . 1 1 117 117 LEU HA H 1 4.2200 0.01 . 1 . . . . . . . . 5862 1 1181 . 1 1 117 117 LEU CB C 13 42.2300 0.3 . 1 . . . . . . . . 5862 1 1182 . 1 1 117 117 LEU HB2 H 1 1.5800 0.01 . 1 . . . . . . . . 5862 1 1183 . 1 1 117 117 LEU CG C 13 26.6700 0.3 . 1 . . . . . . . . 5862 1 1184 . 1 1 117 117 LEU CD1 C 13 24.6400 0.3 . 2 . . . . . . . . 5862 1 1185 . 1 1 117 117 LEU HD11 H 1 0.8700 0.01 . 1 . . . . . . . . 5862 1 1186 . 1 1 117 117 LEU HD12 H 1 0.8700 0.01 . 1 . . . . . . . . 5862 1 1187 . 1 1 117 117 LEU HD13 H 1 0.8700 0.01 . 1 . . . . . . . . 5862 1 1188 . 1 1 117 117 LEU CD2 C 13 23.5800 0.3 . 2 . . . . . . . . 5862 1 1189 . 1 1 117 117 LEU HD21 H 1 0.8700 0.01 . 1 . . . . . . . . 5862 1 1190 . 1 1 117 117 LEU HD22 H 1 0.8700 0.01 . 1 . . . . . . . . 5862 1 1191 . 1 1 117 117 LEU HD23 H 1 0.8700 0.01 . 1 . . . . . . . . 5862 1 1192 . 1 1 118 118 ALA H H 1 8.1000 0.01 . 1 . . . . . . . . 5862 1 1193 . 1 1 118 118 ALA N N 15 122.6000 0.25 . 1 . . . . . . . . 5862 1 1194 . 1 1 118 118 ALA CA C 13 53.0100 0.3 . 1 . . . . . . . . 5862 1 1195 . 1 1 118 118 ALA HA H 1 4.1600 0.01 . 1 . . . . . . . . 5862 1 1196 . 1 1 118 118 ALA CB C 13 18.9100 0.3 . 1 . . . . . . . . 5862 1 1197 . 1 1 118 118 ALA HB1 H 1 1.2600 0.01 . 1 . . . . . . . . 5862 1 1198 . 1 1 118 118 ALA HB2 H 1 1.2600 0.01 . 1 . . . . . . . . 5862 1 1199 . 1 1 118 118 ALA HB3 H 1 1.2600 0.01 . 1 . . . . . . . . 5862 1 1200 . 1 1 119 119 HIS H H 1 8.1800 0.01 . 1 . . . . . . . . 5862 1 1201 . 1 1 119 119 HIS N N 15 115.8000 0.25 . 1 . . . . . . . . 5862 1 1202 . 1 1 119 119 HIS CA C 13 55.3000 0.3 . 1 . . . . . . . . 5862 1 1203 . 1 1 119 119 HIS HA H 1 4.5900 0.01 . 1 . . . . . . . . 5862 1 1204 . 1 1 119 119 HIS CB C 13 28.7200 0.3 . 1 . . . . . . . . 5862 1 1205 . 1 1 119 119 HIS HB2 H 1 3.1600 0.01 . 1 . . . . . . . . 5862 1 1206 . 1 1 120 120 HIS H H 1 8.2900 0.01 . 1 . . . . . . . . 5862 1 1207 . 1 1 120 120 HIS N N 15 118.3900 0.25 . 1 . . . . . . . . 5862 1 1208 . 1 1 120 120 HIS CA C 13 55.3900 0.3 . 1 . . . . . . . . 5862 1 1209 . 1 1 120 120 HIS CB C 13 29.1600 0.3 . 1 . . . . . . . . 5862 1 1210 . 1 1 121 121 HIS H H 1 7.3300 0.01 . 1 . . . . . . . . 5862 1 1211 . 1 1 121 121 HIS N N 15 119.8500 0.25 . 1 . . . . . . . . 5862 1 1212 . 1 1 121 121 HIS CA C 13 59.4500 0.3 . 1 . . . . . . . . 5862 1 1213 . 1 1 121 121 HIS CB C 13 31.8300 0.3 . 1 . . . . . . . . 5862 1 1214 . 1 1 122 122 HIS H H 1 7.7400 0.01 . 1 . . . . . . . . 5862 1 1215 . 1 1 122 122 HIS N N 15 119.0000 0.25 . 1 . . . . . . . . 5862 1 1216 . 1 1 122 122 HIS CA C 13 66.9800 0.3 . 1 . . . . . . . . 5862 1 1217 . 1 1 122 122 HIS CB C 13 31.5800 0.3 . 1 . . . . . . . . 5862 1 stop_ save_