data_6178 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6178 _Entry.Title ; N-terminal Domain of the Polypyrimidine Tract Binding Protein Contains a New RRM Variant That Contributes to High-Affinity RNA Binding ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-04-15 _Entry.Accession_date 2004-04-15 _Entry.Last_release_date 2004-11-08 _Entry.Original_release_date 2004-11-08 _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 P. Simpson . J. . 6178 2 T. Monie . P. . 6178 3 A. Szendroi . . . 6178 4 N. Davydova . . . 6178 5 J. Tyzack . K. . 6178 6 M. Conte . R. . 6178 7 C. Read . M. . 6178 8 P. Cary . D. . 6178 9 D. Svergun . I. . 6178 10 P. Konarev . V. . 6178 11 M. Petoukhov . V. . 6178 12 S. Curry . . . 6178 13 S. Matthews . J. . 6178 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6178 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 653 6178 '13C chemical shifts' 411 6178 '15N chemical shifts' 95 6178 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 . . 2004-11-08 2004-04-15 original author . 6178 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6177 'Polypyrimidine tract-binding protein 1 domain 2' 6178 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6178 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15341728 _Citation.Full_citation . _Citation.Title 'Structure and RNA interactions of the N-terminal RRM domains of PTB' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Structure (Camb)' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 9 _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 1631 _Citation.Page_last 1643 _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 P. Simpson . J. . 6178 1 2 T. Monie . P. . 6178 1 3 A. Szendroi . . . 6178 1 4 N. Davydova . . . 6178 1 5 J. Tyzack . K. . 6178 1 6 M. Conte . R. . 6178 1 7 C. Read . M. . 6178 1 8 P. Cary . D. . 6178 1 9 D. Svergun . I. . 6178 1 10 P. Konarev . V. . 6178 1 11 S. Curry . . . 6178 1 12 S. Matthews . J. . 6178 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'BABBAB motif' 6178 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PTB1-1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PTB1-1 _Assembly.Entry_ID 6178 _Assembly.ID 1 _Assembly.Name 'Polypyrimidine tract-binding protein 1 domain 1' _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 'not present' _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 6178 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 'PTB1-1 monomer' 1 $PTB1-1 . . . native . . . . . 6178 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1SJQ . . . . . . 6178 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Polypyrimidine tract-binding protein 1 domain 1' system 6178 1 PTB1-1 abbreviation 6178 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'RNA binding module' 6178 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PTB1-1 _Entity.Sf_category entity _Entity.Sf_framecode PTB1-1 _Entity.Entry_ID 6178 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'polypyrimidine tract binding protein 1 domain 1' _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 ; MRGSHHHHHHGSGVPSRVIH IRKLPIDVTEGEVISLGLPF GKVTNLLMLKGKNQAFIEMN TEEAANTMVNYYTSVTPVLR GQPIYIQFSNHKELKTDSSP NQARA ; _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 PDB 1SJQ . "Nmr Structure Of Rrm1 From Human Polypyrimidine Tract Binding Protein Isoform 1 (Ptb1)" . . . . . 100.00 105 100.00 100.00 1.65e-70 . . . . 6178 1 2 no DBJ BAC29560 . "unnamed protein product [Mus musculus]" . . . . . 67.62 489 97.18 97.18 9.30e-39 . . . . 6178 1 3 no DBJ BAD92147 . "polypyrimidine tract-binding protein 1 isoform c variant [Homo sapiens]" . . . . . 89.52 329 98.94 100.00 8.00e-58 . . . . 6178 1 4 no DBJ BAI46909 . "polypyrimidine tract binding protein 1 [synthetic construct]" . . . . . 89.52 531 98.94 100.00 9.28e-57 . . . . 6178 1 5 no EMBL CAA43056 . "polypyrimidine tract-binding protein (pPTB) [Homo sapiens]" . . . . . 89.52 531 98.94 100.00 9.28e-57 . . . . 6178 1 6 no EMBL CAA43973 . "polypirimidine tract binding protein [Homo sapiens]" . . . . . 89.52 531 98.94 100.00 9.28e-57 . . . . 6178 1 7 no EMBL CAA46443 . "polypirimidine tract binding protein [Homo sapiens]" . . . . . 89.52 550 98.94 100.00 1.71e-56 . . . . 6178 1 8 no EMBL CAA46444 . "polypirimidine tract binding protein [Homo sapiens]" . . . . . 89.52 557 98.94 100.00 1.62e-56 . . . . 6178 1 9 no EMBL CAA47386 . "nuclear ribonucleoprotein [Homo sapiens]" . . . . . 89.52 557 98.94 100.00 1.62e-56 . . . . 6178 1 10 no GB AAC99798 . "PTB_HUMAN [Homo sapiens]" . . . . . 89.52 531 98.94 100.00 9.28e-57 . . . . 6178 1 11 no GB AAH02397 . "Polypyrimidine tract binding protein 1 [Homo sapiens]" . . . . . 89.52 557 98.94 100.00 1.62e-56 . . . . 6178 1 12 no GB AAH04383 . "Polypyrimidine tract binding protein 1 [Homo sapiens]" . . . . . 89.52 531 98.94 100.00 9.28e-57 . . . . 6178 1 13 no GB AAH13694 . "Polypyrimidine tract binding protein 1 [Homo sapiens]" . . . . . 89.52 557 98.94 100.00 1.62e-56 . . . . 6178 1 14 no GB AAP35465 . "polypyrimidine tract binding protein 1 [Homo sapiens]" . . . . . 89.52 557 98.94 100.00 1.62e-56 . . . . 6178 1 15 no REF NP_001269942 . "polypyrimidine tract-binding protein 1 isoform 3 [Mus musculus]" . . . . . 67.62 489 97.18 97.18 9.30e-39 . . . . 6178 1 16 no REF NP_002810 . "polypyrimidine tract-binding protein 1 isoform a [Homo sapiens]" . . . . . 89.52 557 98.94 100.00 1.62e-56 . . . . 6178 1 17 no REF NP_114367 . "polypyrimidine tract-binding protein 1 isoform b [Homo sapiens]" . . . . . 89.52 550 98.94 100.00 1.71e-56 . . . . 6178 1 18 no REF NP_114368 . "polypyrimidine tract-binding protein 1 isoform c [Homo sapiens]" . . . . . 89.52 531 98.94 100.00 9.28e-57 . . . . 6178 1 19 no REF XP_001092088 . "PREDICTED: polypyrimidine tract-binding protein 1 isoform 1 [Macaca mulatta]" . . . . . 89.52 556 98.94 100.00 2.00e-56 . . . . 6178 1 20 no SP P26599 . "RecName: Full=Polypyrimidine tract-binding protein 1; Short=PTB; AltName: Full=57 kDa RNA-binding protein PPTB-1; AltName: Full" . . . . . 89.52 531 98.94 100.00 9.28e-57 . . . . 6178 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'polypyrimidine tract binding protein 1 domain 1' common 6178 1 'PTB1 RRM1' abbreviation 6178 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 6178 1 2 2 ARG . 6178 1 3 3 GLY . 6178 1 4 4 SER . 6178 1 5 5 HIS . 6178 1 6 6 HIS . 6178 1 7 7 HIS . 6178 1 8 8 HIS . 6178 1 9 9 HIS . 6178 1 10 10 HIS . 6178 1 11 11 GLY . 6178 1 12 12 SER . 6178 1 13 13 GLY . 6178 1 14 14 VAL . 6178 1 15 15 PRO . 6178 1 16 16 SER . 6178 1 17 17 ARG . 6178 1 18 18 VAL . 6178 1 19 19 ILE . 6178 1 20 20 HIS . 6178 1 21 21 ILE . 6178 1 22 22 ARG . 6178 1 23 23 LYS . 6178 1 24 24 LEU . 6178 1 25 25 PRO . 6178 1 26 26 ILE . 6178 1 27 27 ASP . 6178 1 28 28 VAL . 6178 1 29 29 THR . 6178 1 30 30 GLU . 6178 1 31 31 GLY . 6178 1 32 32 GLU . 6178 1 33 33 VAL . 6178 1 34 34 ILE . 6178 1 35 35 SER . 6178 1 36 36 LEU . 6178 1 37 37 GLY . 6178 1 38 38 LEU . 6178 1 39 39 PRO . 6178 1 40 40 PHE . 6178 1 41 41 GLY . 6178 1 42 42 LYS . 6178 1 43 43 VAL . 6178 1 44 44 THR . 6178 1 45 45 ASN . 6178 1 46 46 LEU . 6178 1 47 47 LEU . 6178 1 48 48 MET . 6178 1 49 49 LEU . 6178 1 50 50 LYS . 6178 1 51 51 GLY . 6178 1 52 52 LYS . 6178 1 53 53 ASN . 6178 1 54 54 GLN . 6178 1 55 55 ALA . 6178 1 56 56 PHE . 6178 1 57 57 ILE . 6178 1 58 58 GLU . 6178 1 59 59 MET . 6178 1 60 60 ASN . 6178 1 61 61 THR . 6178 1 62 62 GLU . 6178 1 63 63 GLU . 6178 1 64 64 ALA . 6178 1 65 65 ALA . 6178 1 66 66 ASN . 6178 1 67 67 THR . 6178 1 68 68 MET . 6178 1 69 69 VAL . 6178 1 70 70 ASN . 6178 1 71 71 TYR . 6178 1 72 72 TYR . 6178 1 73 73 THR . 6178 1 74 74 SER . 6178 1 75 75 VAL . 6178 1 76 76 THR . 6178 1 77 77 PRO . 6178 1 78 78 VAL . 6178 1 79 79 LEU . 6178 1 80 80 ARG . 6178 1 81 81 GLY . 6178 1 82 82 GLN . 6178 1 83 83 PRO . 6178 1 84 84 ILE . 6178 1 85 85 TYR . 6178 1 86 86 ILE . 6178 1 87 87 GLN . 6178 1 88 88 PHE . 6178 1 89 89 SER . 6178 1 90 90 ASN . 6178 1 91 91 HIS . 6178 1 92 92 LYS . 6178 1 93 93 GLU . 6178 1 94 94 LEU . 6178 1 95 95 LYS . 6178 1 96 96 THR . 6178 1 97 97 ASP . 6178 1 98 98 SER . 6178 1 99 99 SER . 6178 1 100 100 PRO . 6178 1 101 101 ASN . 6178 1 102 102 GLN . 6178 1 103 103 ALA . 6178 1 104 104 ARG . 6178 1 105 105 ALA . 6178 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 6178 1 . ARG 2 2 6178 1 . GLY 3 3 6178 1 . SER 4 4 6178 1 . HIS 5 5 6178 1 . HIS 6 6 6178 1 . HIS 7 7 6178 1 . HIS 8 8 6178 1 . HIS 9 9 6178 1 . HIS 10 10 6178 1 . GLY 11 11 6178 1 . SER 12 12 6178 1 . GLY 13 13 6178 1 . VAL 14 14 6178 1 . PRO 15 15 6178 1 . SER 16 16 6178 1 . ARG 17 17 6178 1 . VAL 18 18 6178 1 . ILE 19 19 6178 1 . HIS 20 20 6178 1 . ILE 21 21 6178 1 . ARG 22 22 6178 1 . LYS 23 23 6178 1 . LEU 24 24 6178 1 . PRO 25 25 6178 1 . ILE 26 26 6178 1 . ASP 27 27 6178 1 . VAL 28 28 6178 1 . THR 29 29 6178 1 . GLU 30 30 6178 1 . GLY 31 31 6178 1 . GLU 32 32 6178 1 . VAL 33 33 6178 1 . ILE 34 34 6178 1 . SER 35 35 6178 1 . LEU 36 36 6178 1 . GLY 37 37 6178 1 . LEU 38 38 6178 1 . PRO 39 39 6178 1 . PHE 40 40 6178 1 . GLY 41 41 6178 1 . LYS 42 42 6178 1 . VAL 43 43 6178 1 . THR 44 44 6178 1 . ASN 45 45 6178 1 . LEU 46 46 6178 1 . LEU 47 47 6178 1 . MET 48 48 6178 1 . LEU 49 49 6178 1 . LYS 50 50 6178 1 . GLY 51 51 6178 1 . LYS 52 52 6178 1 . ASN 53 53 6178 1 . GLN 54 54 6178 1 . ALA 55 55 6178 1 . PHE 56 56 6178 1 . ILE 57 57 6178 1 . GLU 58 58 6178 1 . MET 59 59 6178 1 . ASN 60 60 6178 1 . THR 61 61 6178 1 . GLU 62 62 6178 1 . GLU 63 63 6178 1 . ALA 64 64 6178 1 . ALA 65 65 6178 1 . ASN 66 66 6178 1 . THR 67 67 6178 1 . MET 68 68 6178 1 . VAL 69 69 6178 1 . ASN 70 70 6178 1 . TYR 71 71 6178 1 . TYR 72 72 6178 1 . THR 73 73 6178 1 . SER 74 74 6178 1 . VAL 75 75 6178 1 . THR 76 76 6178 1 . PRO 77 77 6178 1 . VAL 78 78 6178 1 . LEU 79 79 6178 1 . ARG 80 80 6178 1 . GLY 81 81 6178 1 . GLN 82 82 6178 1 . PRO 83 83 6178 1 . ILE 84 84 6178 1 . TYR 85 85 6178 1 . ILE 86 86 6178 1 . GLN 87 87 6178 1 . PHE 88 88 6178 1 . SER 89 89 6178 1 . ASN 90 90 6178 1 . HIS 91 91 6178 1 . LYS 92 92 6178 1 . GLU 93 93 6178 1 . LEU 94 94 6178 1 . LYS 95 95 6178 1 . THR 96 96 6178 1 . ASP 97 97 6178 1 . SER 98 98 6178 1 . SER 99 99 6178 1 . PRO 100 100 6178 1 . ASN 101 101 6178 1 . GLN 102 102 6178 1 . ALA 103 103 6178 1 . ARG 104 104 6178 1 . ALA 105 105 6178 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 6178 _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 $PTB1-1 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6178 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 6178 _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 $PTB1-1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6178 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6178 _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 'polypyrimidine tract binding protein 1 domain 1' . . . 1 $PTB1-1 . . 1 . . mM . . . . 6178 1 2 'Na phosphate' . . . . . . . 50 . . mM . . . . 6178 1 3 NaCl . . . . . . . 100 . . mM . . . . 6178 1 4 'sodium azide' . . . . . . . 2 . . mM . . . . 6178 1 5 DTT . . . . . . . 10 . . mM . . . . 6178 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6178 _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 6.5 0.2 pH 6178 1 temperature 303 2 K 6178 1 'ionic strength' 0.3 0.05 M 6178 1 pressure 1 . atm 6178 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6178 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.1 _Software.Details 'Bruker Biospin' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6178 1 processing 6178 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 6178 _Software.ID 2 _Software.Name AURELIA _Software.Version 2.8.11 _Software.Details 'Bruker Analytik GmbH' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6178 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6178 _Software.ID 3 _Software.Name NMRPipe _Software.Version 1 _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6178 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6178 _Software.ID 4 _Software.Name NMRView _Software.Version 4.1.3 _Software.Details 'Johnson, B. and Blevins, R.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6178 4 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 6178 _Software.ID 5 _Software.Name X-PLOR _Software.Version 3.851 _Software.Details 'Brunger, A.T' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6178 5 refinement 6178 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6178 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6178 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'DRX500 was equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6178 _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_1 Bruker DRX . 800 . . . 6178 1 2 NMR_spectrometer_2 Bruker DRX . 500 'DRX500 was equipped with cryoprobe' . . 6178 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 6178 _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 HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6178 1 2 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6178 1 3 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6178 1 4 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6178 1 5 HN(CA)CO . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6178 1 6 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6178 1 7 '3D 13C-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6178 1 8 '3D 15N-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6178 1 stop_ 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 6178 _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 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.0 internal cylindrical parallel 1 $entry_citation . . 1 $entry_citation 6178 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 internal cylindrical parallel 1 $entry_citation . . 1 $entry_citation 6178 1 C 13 TSP 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 internal cylindrical parallel 1 $entry_citation . . 1 $entry_citation 6178 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6178 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_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 . 6178 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CE C 13 16.720 0.75 . 1 . . . . 1 . . . 6178 1 2 . 1 1 1 1 MET HE1 H 1 2.030 0.03 . 1 . . . . 1 . . . 6178 1 3 . 1 1 1 1 MET HE2 H 1 2.030 0.03 . 1 . . . . 1 . . . 6178 1 4 . 1 1 1 1 MET HE3 H 1 2.030 0.03 . 1 . . . . 1 . . . 6178 1 5 . 1 1 12 12 SER CA C 13 58.000 0.75 . 1 . . . . 12 . . . 6178 1 6 . 1 1 12 12 SER CB C 13 63.440 0.75 . 1 . . . . 12 . . . 6178 1 7 . 1 1 12 12 SER C C 13 174.810 0.75 . 1 . . . . 12 . . . 6178 1 8 . 1 1 13 13 GLY N N 15 112.550 0.5 . 1 . . . . 13 . . . 6178 1 9 . 1 1 13 13 GLY H H 1 8.410 0.03 . 1 . . . . 13 . . . 6178 1 10 . 1 1 13 13 GLY CA C 13 44.360 0.75 . 1 . . . . 13 . . . 6178 1 11 . 1 1 13 13 GLY HA3 H 1 3.920 0.03 . 1 . . . . 13 . . . 6178 1 12 . 1 1 13 13 GLY HA2 H 1 3.920 0.03 . 1 . . . . 13 . . . 6178 1 13 . 1 1 13 13 GLY C C 13 173.430 0.75 . 1 . . . . 13 . . . 6178 1 14 . 1 1 14 14 VAL CA C 13 59.070 0.75 . 1 . . . . 14 . . . 6178 1 15 . 1 1 14 14 VAL CB C 13 32.250 0.75 . 1 . . . . 14 . . . 6178 1 16 . 1 1 14 14 VAL CG2 C 13 20.680 0.75 . 1 . . . . 14 . . . 6178 1 17 . 1 1 14 14 VAL HG21 H 1 0.780 0.03 . 2 . . . . 14 . . . 6178 1 18 . 1 1 14 14 VAL HG22 H 1 0.780 0.03 . 2 . . . . 14 . . . 6178 1 19 . 1 1 14 14 VAL HG23 H 1 0.780 0.03 . 2 . . . . 14 . . . 6178 1 20 . 1 1 14 14 VAL CG1 C 13 20.680 0.75 . 1 . . . . 14 . . . 6178 1 21 . 1 1 14 14 VAL HG11 H 1 0.710 0.03 . 2 . . . . 14 . . . 6178 1 22 . 1 1 14 14 VAL HG12 H 1 0.710 0.03 . 2 . . . . 14 . . . 6178 1 23 . 1 1 14 14 VAL HG13 H 1 0.710 0.03 . 2 . . . . 14 . . . 6178 1 24 . 1 1 14 14 VAL C C 13 174.600 0.75 . 1 . . . . 14 . . . 6178 1 25 . 1 1 15 15 PRO CA C 13 62.520 0.75 . 1 . . . . 15 . . . 6178 1 26 . 1 1 15 15 PRO HA H 1 3.380 0.03 . 1 . . . . 15 . . . 6178 1 27 . 1 1 15 15 PRO CB C 13 30.870 0.75 . 1 . . . . 15 . . . 6178 1 28 . 1 1 15 15 PRO HB3 H 1 1.830 0.03 . 2 . . . . 15 . . . 6178 1 29 . 1 1 15 15 PRO HB2 H 1 1.680 0.03 . 2 . . . . 15 . . . 6178 1 30 . 1 1 15 15 PRO CG C 13 30.800 0.75 . 1 . . . . 15 . . . 6178 1 31 . 1 1 15 15 PRO HG3 H 1 1.800 0.03 . 2 . . . . 15 . . . 6178 1 32 . 1 1 15 15 PRO HG2 H 1 1.690 0.03 . 2 . . . . 15 . . . 6178 1 33 . 1 1 15 15 PRO CD C 13 50.160 0.75 . 1 . . . . 15 . . . 6178 1 34 . 1 1 15 15 PRO HD3 H 1 3.660 0.03 . 2 . . . . 15 . . . 6178 1 35 . 1 1 15 15 PRO HD2 H 1 3.280 0.03 . 2 . . . . 15 . . . 6178 1 36 . 1 1 15 15 PRO C C 13 175.400 0.75 . 1 . . . . 15 . . . 6178 1 37 . 1 1 16 16 SER N N 15 116.790 0.5 . 1 . . . . 16 . . . 6178 1 38 . 1 1 16 16 SER H H 1 7.360 0.03 . 1 . . . . 16 . . . 6178 1 39 . 1 1 16 16 SER CA C 13 56.010 0.75 . 1 . . . . 16 . . . 6178 1 40 . 1 1 16 16 SER HA H 1 4.530 0.03 . 1 . . . . 16 . . . 6178 1 41 . 1 1 16 16 SER CB C 13 64.050 0.75 . 1 . . . . 16 . . . 6178 1 42 . 1 1 16 16 SER HB3 H 1 3.920 0.03 . 2 . . . . 16 . . . 6178 1 43 . 1 1 16 16 SER HB2 H 1 3.670 0.03 . 2 . . . . 16 . . . 6178 1 44 . 1 1 16 16 SER C C 13 173.180 0.75 . 1 . . . . 16 . . . 6178 1 45 . 1 1 17 17 ARG N N 15 120.900 0.5 . 1 . . . . 17 . . . 6178 1 46 . 1 1 17 17 ARG H H 1 8.540 0.03 . 1 . . . . 17 . . . 6178 1 47 . 1 1 17 17 ARG CA C 13 56.160 0.75 . 1 . . . . 17 . . . 6178 1 48 . 1 1 17 17 ARG HA H 1 4.370 0.03 . 1 . . . . 17 . . . 6178 1 49 . 1 1 17 17 ARG CB C 13 30.950 0.75 . 1 . . . . 17 . . . 6178 1 50 . 1 1 17 17 ARG HB3 H 1 2.170 0.03 . 2 . . . . 17 . . . 6178 1 51 . 1 1 17 17 ARG HB2 H 1 1.780 0.03 . 2 . . . . 17 . . . 6178 1 52 . 1 1 17 17 ARG C C 13 174.760 0.75 . 1 . . . . 17 . . . 6178 1 53 . 1 1 18 18 VAL N N 15 121.290 0.5 . 1 . . . . 18 . . . 6178 1 54 . 1 1 18 18 VAL H H 1 8.590 0.03 . 1 . . . . 18 . . . 6178 1 55 . 1 1 18 18 VAL CA C 13 61.520 0.75 . 1 . . . . 18 . . . 6178 1 56 . 1 1 18 18 VAL HA H 1 4.810 0.03 . 1 . . . . 18 . . . 6178 1 57 . 1 1 18 18 VAL CB C 13 31.640 0.75 . 1 . . . . 18 . . . 6178 1 58 . 1 1 18 18 VAL HB H 1 2.030 0.03 . 1 . . . . 18 . . . 6178 1 59 . 1 1 18 18 VAL CG2 C 13 22.280 0.75 . 1 . . . . 18 . . . 6178 1 60 . 1 1 18 18 VAL HG21 H 1 0.900 0.03 . 2 . . . . 18 . . . 6178 1 61 . 1 1 18 18 VAL HG22 H 1 0.900 0.03 . 2 . . . . 18 . . . 6178 1 62 . 1 1 18 18 VAL HG23 H 1 0.900 0.03 . 2 . . . . 18 . . . 6178 1 63 . 1 1 18 18 VAL CG1 C 13 21.630 0.75 . 1 . . . . 18 . . . 6178 1 64 . 1 1 18 18 VAL HG11 H 1 0.740 0.03 . 2 . . . . 18 . . . 6178 1 65 . 1 1 18 18 VAL HG12 H 1 0.740 0.03 . 2 . . . . 18 . . . 6178 1 66 . 1 1 18 18 VAL HG13 H 1 0.740 0.03 . 2 . . . . 18 . . . 6178 1 67 . 1 1 18 18 VAL C C 13 174.460 0.75 . 1 . . . . 18 . . . 6178 1 68 . 1 1 19 19 ILE N N 15 131.370 0.5 . 1 . . . . 19 . . . 6178 1 69 . 1 1 19 19 ILE H H 1 9.470 0.03 . 1 . . . . 19 . . . 6178 1 70 . 1 1 19 19 ILE CA C 13 58.920 0.75 . 1 . . . . 19 . . . 6178 1 71 . 1 1 19 19 ILE HA H 1 4.360 0.03 . 1 . . . . 19 . . . 6178 1 72 . 1 1 19 19 ILE CB C 13 39.760 0.75 . 1 . . . . 19 . . . 6178 1 73 . 1 1 19 19 ILE HB H 1 1.800 0.03 . 1 . . . . 19 . . . 6178 1 74 . 1 1 19 19 ILE CG1 C 13 28.200 0.75 . 2 . . . . 19 . . . 6178 1 75 . 1 1 19 19 ILE HG13 H 1 1.430 0.03 . 1 . . . . 19 . . . 6178 1 76 . 1 1 19 19 ILE HG12 H 1 1.020 0.03 . 1 . . . . 19 . . . 6178 1 77 . 1 1 19 19 ILE CD1 C 13 14.060 0.75 . 1 . . . . 19 . . . 6178 1 78 . 1 1 19 19 ILE HD11 H 1 0.730 0.03 . 1 . . . . 19 . . . 6178 1 79 . 1 1 19 19 ILE HD12 H 1 0.730 0.03 . 1 . . . . 19 . . . 6178 1 80 . 1 1 19 19 ILE HD13 H 1 0.730 0.03 . 1 . . . . 19 . . . 6178 1 81 . 1 1 19 19 ILE CG2 C 13 19.130 0.75 . 1 . . . . 19 . . . 6178 1 82 . 1 1 19 19 ILE HG21 H 1 0.670 0.03 . 1 . . . . 19 . . . 6178 1 83 . 1 1 19 19 ILE HG22 H 1 0.670 0.03 . 1 . . . . 19 . . . 6178 1 84 . 1 1 19 19 ILE HG23 H 1 0.670 0.03 . 1 . . . . 19 . . . 6178 1 85 . 1 1 19 19 ILE C C 13 173.830 0.75 . 1 . . . . 19 . . . 6178 1 86 . 1 1 20 20 HIS N N 15 130.600 0.5 . 1 . . . . 20 . . . 6178 1 87 . 1 1 20 20 HIS H H 1 9.370 0.03 . 1 . . . . 20 . . . 6178 1 88 . 1 1 20 20 HIS CA C 13 52.630 0.75 . 1 . . . . 20 . . . 6178 1 89 . 1 1 20 20 HIS HA H 1 4.960 0.03 . 1 . . . . 20 . . . 6178 1 90 . 1 1 20 20 HIS CB C 13 34.630 0.75 . 1 . . . . 20 . . . 6178 1 91 . 1 1 20 20 HIS HB3 H 1 3.140 0.03 . 2 . . . . 20 . . . 6178 1 92 . 1 1 20 20 HIS HB2 H 1 2.630 0.03 . 2 . . . . 20 . . . 6178 1 93 . 1 1 20 20 HIS CD2 C 13 116.300 0.75 . 1 . . . . 20 . . . 6178 1 94 . 1 1 20 20 HIS HD2 H 1 6.100 0.03 . 1 . . . . 20 . . . 6178 1 95 . 1 1 20 20 HIS C C 13 173.400 0.75 . 1 . . . . 20 . . . 6178 1 96 . 1 1 21 21 ILE N N 15 129.890 0.5 . 1 . . . . 21 . . . 6178 1 97 . 1 1 21 21 ILE H H 1 9.210 0.03 . 1 . . . . 21 . . . 6178 1 98 . 1 1 21 21 ILE CA C 13 59.450 0.75 . 1 . . . . 21 . . . 6178 1 99 . 1 1 21 21 ILE HA H 1 4.800 0.03 . 1 . . . . 21 . . . 6178 1 100 . 1 1 21 21 ILE CB C 13 38.920 0.75 . 1 . . . . 21 . . . 6178 1 101 . 1 1 21 21 ILE HB H 1 1.500 0.03 . 1 . . . . 21 . . . 6178 1 102 . 1 1 21 21 ILE HG13 H 1 1.390 0.03 . 1 . . . . 21 . . . 6178 1 103 . 1 1 21 21 ILE HG12 H 1 0.830 0.03 . 1 . . . . 21 . . . 6178 1 104 . 1 1 21 21 ILE CD1 C 13 14.340 0.75 . 1 . . . . 21 . . . 6178 1 105 . 1 1 21 21 ILE HD11 H 1 0.580 0.03 . 1 . . . . 21 . . . 6178 1 106 . 1 1 21 21 ILE HD12 H 1 0.580 0.03 . 1 . . . . 21 . . . 6178 1 107 . 1 1 21 21 ILE HD13 H 1 0.580 0.03 . 1 . . . . 21 . . . 6178 1 108 . 1 1 21 21 ILE CG2 C 13 19.100 0.75 . 1 . . . . 21 . . . 6178 1 109 . 1 1 21 21 ILE HG21 H 1 0.700 0.03 . 1 . . . . 21 . . . 6178 1 110 . 1 1 21 21 ILE HG22 H 1 0.700 0.03 . 1 . . . . 21 . . . 6178 1 111 . 1 1 21 21 ILE HG23 H 1 0.700 0.03 . 1 . . . . 21 . . . 6178 1 112 . 1 1 21 21 ILE C C 13 174.570 0.75 . 1 . . . . 21 . . . 6178 1 113 . 1 1 22 22 ARG N N 15 125.400 0.5 . 1 . . . . 22 . . . 6178 1 114 . 1 1 22 22 ARG H H 1 8.850 0.03 . 1 . . . . 22 . . . 6178 1 115 . 1 1 22 22 ARG CA C 13 53.860 0.75 . 1 . . . . 22 . . . 6178 1 116 . 1 1 22 22 ARG HA H 1 4.820 0.03 . 1 . . . . 22 . . . 6178 1 117 . 1 1 22 22 ARG CB C 13 34.090 0.75 . 1 . . . . 22 . . . 6178 1 118 . 1 1 22 22 ARG HB3 H 1 1.800 0.03 . 2 . . . . 22 . . . 6178 1 119 . 1 1 22 22 ARG HB2 H 1 1.520 0.03 . 2 . . . . 22 . . . 6178 1 120 . 1 1 22 22 ARG CG C 13 27.870 0.75 . 1 . . . . 22 . . . 6178 1 121 . 1 1 22 22 ARG HG3 H 1 1.090 0.03 . 2 . . . . 22 . . . 6178 1 122 . 1 1 22 22 ARG HG2 H 1 0.940 0.03 . 2 . . . . 22 . . . 6178 1 123 . 1 1 22 22 ARG CD C 13 43.040 0.75 . 1 . . . . 22 . . . 6178 1 124 . 1 1 22 22 ARG HD3 H 1 2.780 0.03 . 1 . . . . 22 . . . 6178 1 125 . 1 1 22 22 ARG HD2 H 1 2.780 0.03 . 1 . . . . 22 . . . 6178 1 126 . 1 1 22 22 ARG C C 13 174.110 0.75 . 1 . . . . 22 . . . 6178 1 127 . 1 1 23 23 LYS N N 15 116.280 0.5 . 1 . . . . 23 . . . 6178 1 128 . 1 1 23 23 LYS H H 1 8.580 0.03 . 1 . . . . 23 . . . 6178 1 129 . 1 1 23 23 LYS CA C 13 56.240 0.75 . 1 . . . . 23 . . . 6178 1 130 . 1 1 23 23 LYS HA H 1 3.800 0.03 . 1 . . . . 23 . . . 6178 1 131 . 1 1 23 23 LYS CB C 13 28.880 0.75 . 1 . . . . 23 . . . 6178 1 132 . 1 1 23 23 LYS HB3 H 1 2.110 0.03 . 1 . . . . 23 . . . 6178 1 133 . 1 1 23 23 LYS HB2 H 1 2.110 0.03 . 1 . . . . 23 . . . 6178 1 134 . 1 1 23 23 LYS CG C 13 25.670 0.75 . 1 . . . . 23 . . . 6178 1 135 . 1 1 23 23 LYS HG3 H 1 1.320 0.03 . 1 . . . . 23 . . . 6178 1 136 . 1 1 23 23 LYS HG2 H 1 1.320 0.03 . 1 . . . . 23 . . . 6178 1 137 . 1 1 23 23 LYS CD C 13 29.000 0.75 . 1 . . . . 23 . . . 6178 1 138 . 1 1 23 23 LYS HD3 H 1 1.590 0.03 . 1 . . . . 23 . . . 6178 1 139 . 1 1 23 23 LYS HD2 H 1 1.590 0.03 . 1 . . . . 23 . . . 6178 1 140 . 1 1 23 23 LYS CE C 13 41.800 0.75 . 1 . . . . 23 . . . 6178 1 141 . 1 1 23 23 LYS HE3 H 1 2.860 0.03 . 1 . . . . 23 . . . 6178 1 142 . 1 1 23 23 LYS HE2 H 1 2.860 0.03 . 1 . . . . 23 . . . 6178 1 143 . 1 1 23 23 LYS C C 13 175.200 0.75 . 1 . . . . 23 . . . 6178 1 144 . 1 1 24 24 LEU N N 15 117.690 0.5 . 1 . . . . 24 . . . 6178 1 145 . 1 1 24 24 LEU H H 1 7.820 0.03 . 1 . . . . 24 . . . 6178 1 146 . 1 1 24 24 LEU CA C 13 52.790 0.75 . 1 . . . . 24 . . . 6178 1 147 . 1 1 24 24 LEU HA H 1 4.070 0.03 . 1 . . . . 24 . . . 6178 1 148 . 1 1 24 24 LEU CB C 13 41.370 0.75 . 1 . . . . 24 . . . 6178 1 149 . 1 1 24 24 LEU HB3 H 1 1.150 0.03 . 2 . . . . 24 . . . 6178 1 150 . 1 1 24 24 LEU HB2 H 1 1.120 0.03 . 2 . . . . 24 . . . 6178 1 151 . 1 1 24 24 LEU CG C 13 26.680 0.75 . 1 . . . . 24 . . . 6178 1 152 . 1 1 24 24 LEU HG H 1 1.310 0.03 . 1 . . . . 24 . . . 6178 1 153 . 1 1 24 24 LEU CD1 C 13 24.320 0.75 . 1 . . . . 24 . . . 6178 1 154 . 1 1 24 24 LEU HD11 H 1 0.660 0.03 . 2 . . . . 24 . . . 6178 1 155 . 1 1 24 24 LEU HD12 H 1 0.660 0.03 . 2 . . . . 24 . . . 6178 1 156 . 1 1 24 24 LEU HD13 H 1 0.660 0.03 . 2 . . . . 24 . . . 6178 1 157 . 1 1 24 24 LEU CD2 C 13 26.280 0.75 . 1 . . . . 24 . . . 6178 1 158 . 1 1 24 24 LEU HD21 H 1 0.500 0.03 . 2 . . . . 24 . . . 6178 1 159 . 1 1 24 24 LEU HD22 H 1 0.500 0.03 . 2 . . . . 24 . . . 6178 1 160 . 1 1 24 24 LEU HD23 H 1 0.500 0.03 . 2 . . . . 24 . . . 6178 1 161 . 1 1 24 24 LEU C C 13 175.110 0.75 . 1 . . . . 24 . . . 6178 1 162 . 1 1 25 25 PRO CA C 13 61.750 0.75 . 1 . . . . 25 . . . 6178 1 163 . 1 1 25 25 PRO HA H 1 4.460 0.03 . 1 . . . . 25 . . . 6178 1 164 . 1 1 25 25 PRO CB C 13 31.410 0.75 . 1 . . . . 25 . . . 6178 1 165 . 1 1 25 25 PRO HB3 H 1 2.320 0.03 . 2 . . . . 25 . . . 6178 1 166 . 1 1 25 25 PRO HB2 H 1 1.780 0.03 . 2 . . . . 25 . . . 6178 1 167 . 1 1 25 25 PRO CG C 13 27.700 0.75 . 1 . . . . 25 . . . 6178 1 168 . 1 1 25 25 PRO HG3 H 1 1.910 0.03 . 2 . . . . 25 . . . 6178 1 169 . 1 1 25 25 PRO HG2 H 1 1.680 0.03 . 2 . . . . 25 . . . 6178 1 170 . 1 1 25 25 PRO CD C 13 49.460 0.75 . 1 . . . . 25 . . . 6178 1 171 . 1 1 25 25 PRO HD3 H 1 3.670 0.03 . 2 . . . . 25 . . . 6178 1 172 . 1 1 25 25 PRO HD2 H 1 3.180 0.03 . 2 . . . . 25 . . . 6178 1 173 . 1 1 25 25 PRO C C 13 177.650 0.75 . 1 . . . . 25 . . . 6178 1 174 . 1 1 26 26 ILE N N 15 123.020 0.5 . 1 . . . . 26 . . . 6178 1 175 . 1 1 26 26 ILE H H 1 8.430 0.03 . 1 . . . . 26 . . . 6178 1 176 . 1 1 26 26 ILE CA C 13 62.520 0.75 . 1 . . . . 26 . . . 6178 1 177 . 1 1 26 26 ILE HA H 1 3.850 0.03 . 1 . . . . 26 . . . 6178 1 178 . 1 1 26 26 ILE CB C 13 37.850 0.75 . 1 . . . . 26 . . . 6178 1 179 . 1 1 26 26 ILE HB H 1 1.820 0.03 . 1 . . . . 26 . . . 6178 1 180 . 1 1 26 26 ILE CG1 C 13 28.060 0.75 . 2 . . . . 26 . . . 6178 1 181 . 1 1 26 26 ILE HG13 H 1 1.450 0.03 . 1 . . . . 26 . . . 6178 1 182 . 1 1 26 26 ILE HG12 H 1 1.250 0.03 . 1 . . . . 26 . . . 6178 1 183 . 1 1 26 26 ILE CD1 C 13 13.530 0.75 . 1 . . . . 26 . . . 6178 1 184 . 1 1 26 26 ILE HD11 H 1 0.890 0.03 . 1 . . . . 26 . . . 6178 1 185 . 1 1 26 26 ILE HD12 H 1 0.890 0.03 . 1 . . . . 26 . . . 6178 1 186 . 1 1 26 26 ILE HD13 H 1 0.890 0.03 . 1 . . . . 26 . . . 6178 1 187 . 1 1 26 26 ILE CG2 C 13 17.410 0.75 . 1 . . . . 26 . . . 6178 1 188 . 1 1 26 26 ILE HG21 H 1 0.920 0.03 . 1 . . . . 26 . . . 6178 1 189 . 1 1 26 26 ILE HG22 H 1 0.920 0.03 . 1 . . . . 26 . . . 6178 1 190 . 1 1 26 26 ILE HG23 H 1 0.920 0.03 . 1 . . . . 26 . . . 6178 1 191 . 1 1 26 26 ILE C C 13 175.580 0.75 . 1 . . . . 26 . . . 6178 1 192 . 1 1 27 27 ASP N N 15 119.740 0.5 . 1 . . . . 27 . . . 6178 1 193 . 1 1 27 27 ASP H H 1 8.330 0.03 . 1 . . . . 27 . . . 6178 1 194 . 1 1 27 27 ASP CA C 13 52.940 0.75 . 1 . . . . 27 . . . 6178 1 195 . 1 1 27 27 ASP HA H 1 4.520 0.03 . 1 . . . . 27 . . . 6178 1 196 . 1 1 27 27 ASP CB C 13 38.990 0.75 . 1 . . . . 27 . . . 6178 1 197 . 1 1 27 27 ASP HB3 H 1 2.830 0.03 . 2 . . . . 27 . . . 6178 1 198 . 1 1 27 27 ASP HB2 H 1 2.610 0.03 . 2 . . . . 27 . . . 6178 1 199 . 1 1 27 27 ASP C C 13 175.580 0.75 . 1 . . . . 27 . . . 6178 1 200 . 1 1 28 28 VAL N N 15 119.740 0.5 . 1 . . . . 28 . . . 6178 1 201 . 1 1 28 28 VAL H H 1 6.970 0.03 . 1 . . . . 28 . . . 6178 1 202 . 1 1 28 28 VAL CA C 13 61.520 0.75 . 1 . . . . 28 . . . 6178 1 203 . 1 1 28 28 VAL HA H 1 4.000 0.03 . 1 . . . . 28 . . . 6178 1 204 . 1 1 28 28 VAL CB C 13 31.410 0.75 . 1 . . . . 28 . . . 6178 1 205 . 1 1 28 28 VAL HB H 1 2.010 0.03 . 1 . . . . 28 . . . 6178 1 206 . 1 1 28 28 VAL CG2 C 13 23.160 0.75 . 1 . . . . 28 . . . 6178 1 207 . 1 1 28 28 VAL HG21 H 1 1.050 0.03 . 2 . . . . 28 . . . 6178 1 208 . 1 1 28 28 VAL HG22 H 1 1.050 0.03 . 2 . . . . 28 . . . 6178 1 209 . 1 1 28 28 VAL HG23 H 1 1.050 0.03 . 2 . . . . 28 . . . 6178 1 210 . 1 1 28 28 VAL CG1 C 13 20.770 0.75 . 1 . . . . 28 . . . 6178 1 211 . 1 1 28 28 VAL HG11 H 1 0.740 0.03 . 2 . . . . 28 . . . 6178 1 212 . 1 1 28 28 VAL HG12 H 1 0.740 0.03 . 2 . . . . 28 . . . 6178 1 213 . 1 1 28 28 VAL HG13 H 1 0.740 0.03 . 2 . . . . 28 . . . 6178 1 214 . 1 1 28 28 VAL C C 13 173.630 0.75 . 1 . . . . 28 . . . 6178 1 215 . 1 1 29 29 THR N N 15 117.690 0.5 . 1 . . . . 29 . . . 6178 1 216 . 1 1 29 29 THR H H 1 8.140 0.03 . 1 . . . . 29 . . . 6178 1 217 . 1 1 29 29 THR CA C 13 59.530 0.75 . 1 . . . . 29 . . . 6178 1 218 . 1 1 29 29 THR HA H 1 4.690 0.03 . 1 . . . . 29 . . . 6178 1 219 . 1 1 29 29 THR CB C 13 71.640 0.75 . 1 . . . . 29 . . . 6178 1 220 . 1 1 29 29 THR HB H 1 4.590 0.03 . 1 . . . . 29 . . . 6178 1 221 . 1 1 29 29 THR CG2 C 13 21.830 0.75 . 1 . . . . 29 . . . 6178 1 222 . 1 1 29 29 THR HG21 H 1 1.240 0.03 . 1 . . . . 29 . . . 6178 1 223 . 1 1 29 29 THR HG22 H 1 1.240 0.03 . 1 . . . . 29 . . . 6178 1 224 . 1 1 29 29 THR HG23 H 1 1.240 0.03 . 1 . . . . 29 . . . 6178 1 225 . 1 1 29 29 THR C C 13 175.690 0.75 . 1 . . . . 29 . . . 6178 1 226 . 1 1 30 30 GLU N N 15 123.210 0.5 . 1 . . . . 30 . . . 6178 1 227 . 1 1 30 30 GLU H H 1 9.310 0.03 . 1 . . . . 30 . . . 6178 1 228 . 1 1 30 30 GLU CA C 13 60.300 0.75 . 1 . . . . 30 . . . 6178 1 229 . 1 1 30 30 GLU HA H 1 3.850 0.03 . 1 . . . . 30 . . . 6178 1 230 . 1 1 30 30 GLU CB C 13 28.800 0.75 . 1 . . . . 30 . . . 6178 1 231 . 1 1 30 30 GLU HB3 H 1 2.020 0.03 . 2 . . . . 30 . . . 6178 1 232 . 1 1 30 30 GLU HB2 H 1 1.900 0.03 . 2 . . . . 30 . . . 6178 1 233 . 1 1 30 30 GLU CG C 13 37.400 0.75 . 1 . . . . 30 . . . 6178 1 234 . 1 1 30 30 GLU HG3 H 1 2.380 0.03 . 2 . . . . 30 . . . 6178 1 235 . 1 1 30 30 GLU HG2 H 1 2.350 0.03 . 2 . . . . 30 . . . 6178 1 236 . 1 1 30 30 GLU C C 13 178.860 0.75 . 1 . . . . 30 . . . 6178 1 237 . 1 1 31 31 GLY N N 15 106.510 0.5 . 1 . . . . 31 . . . 6178 1 238 . 1 1 31 31 GLY H H 1 8.700 0.03 . 1 . . . . 31 . . . 6178 1 239 . 1 1 31 31 GLY CA C 13 46.580 0.75 . 1 . . . . 31 . . . 6178 1 240 . 1 1 31 31 GLY HA3 H 1 3.870 0.03 . 2 . . . . 31 . . . 6178 1 241 . 1 1 31 31 GLY HA2 H 1 3.710 0.03 . 2 . . . . 31 . . . 6178 1 242 . 1 1 31 31 GLY C C 13 177.110 0.75 . 1 . . . . 31 . . . 6178 1 243 . 1 1 32 32 GLU N N 15 123.080 0.5 . 1 . . . . 32 . . . 6178 1 244 . 1 1 32 32 GLU H H 1 7.660 0.03 . 1 . . . . 32 . . . 6178 1 245 . 1 1 32 32 GLU CA C 13 58.460 0.75 . 1 . . . . 32 . . . 6178 1 246 . 1 1 32 32 GLU HA H 1 3.960 0.03 . 1 . . . . 32 . . . 6178 1 247 . 1 1 32 32 GLU CB C 13 30.410 0.75 . 1 . . . . 32 . . . 6178 1 248 . 1 1 32 32 GLU HB3 H 1 2.350 0.03 . 2 . . . . 32 . . . 6178 1 249 . 1 1 32 32 GLU HB2 H 1 1.890 0.03 . 2 . . . . 32 . . . 6178 1 250 . 1 1 32 32 GLU CG C 13 38.240 0.75 . 1 . . . . 32 . . . 6178 1 251 . 1 1 32 32 GLU HG3 H 1 2.220 0.03 . 1 . . . . 32 . . . 6178 1 252 . 1 1 32 32 GLU HG2 H 1 2.220 0.03 . 1 . . . . 32 . . . 6178 1 253 . 1 1 32 32 GLU C C 13 178.650 0.75 . 1 . . . . 32 . . . 6178 1 254 . 1 1 33 33 VAL N N 15 120.960 0.5 . 1 . . . . 33 . . . 6178 1 255 . 1 1 33 33 VAL H H 1 7.440 0.03 . 1 . . . . 33 . . . 6178 1 256 . 1 1 33 33 VAL CA C 13 66.200 0.75 . 1 . . . . 33 . . . 6178 1 257 . 1 1 33 33 VAL HA H 1 3.440 0.03 . 1 . . . . 33 . . . 6178 1 258 . 1 1 33 33 VAL CB C 13 30.640 0.75 . 1 . . . . 33 . . . 6178 1 259 . 1 1 33 33 VAL HB H 1 2.110 0.03 . 1 . . . . 33 . . . 6178 1 260 . 1 1 33 33 VAL CG2 C 13 24.030 0.75 . 1 . . . . 33 . . . 6178 1 261 . 1 1 33 33 VAL HG21 H 1 0.830 0.03 . 2 . . . . 33 . . . 6178 1 262 . 1 1 33 33 VAL HG22 H 1 0.830 0.03 . 2 . . . . 33 . . . 6178 1 263 . 1 1 33 33 VAL HG23 H 1 0.830 0.03 . 2 . . . . 33 . . . 6178 1 264 . 1 1 33 33 VAL CG1 C 13 22.910 0.75 . 1 . . . . 33 . . . 6178 1 265 . 1 1 33 33 VAL HG11 H 1 0.690 0.03 . 2 . . . . 33 . . . 6178 1 266 . 1 1 33 33 VAL HG12 H 1 0.690 0.03 . 2 . . . . 33 . . . 6178 1 267 . 1 1 33 33 VAL HG13 H 1 0.690 0.03 . 2 . . . . 33 . . . 6178 1 268 . 1 1 33 33 VAL C C 13 177.870 0.75 . 1 . . . . 33 . . . 6178 1 269 . 1 1 34 34 ILE N N 15 120.390 0.5 . 1 . . . . 34 . . . 6178 1 270 . 1 1 34 34 ILE H H 1 8.500 0.03 . 1 . . . . 34 . . . 6178 1 271 . 1 1 34 34 ILE CA C 13 65.280 0.75 . 1 . . . . 34 . . . 6178 1 272 . 1 1 34 34 ILE HA H 1 3.540 0.03 . 1 . . . . 34 . . . 6178 1 273 . 1 1 34 34 ILE CB C 13 37.850 0.75 . 1 . . . . 34 . . . 6178 1 274 . 1 1 34 34 ILE HB H 1 1.840 0.03 . 1 . . . . 34 . . . 6178 1 275 . 1 1 34 34 ILE CG1 C 13 30.530 0.75 . 2 . . . . 34 . . . 6178 1 276 . 1 1 34 34 ILE HG13 H 1 1.750 0.03 . 1 . . . . 34 . . . 6178 1 277 . 1 1 34 34 ILE HG12 H 1 1.020 0.03 . 1 . . . . 34 . . . 6178 1 278 . 1 1 34 34 ILE CD1 C 13 13.260 0.75 . 1 . . . . 34 . . . 6178 1 279 . 1 1 34 34 ILE HD11 H 1 0.820 0.03 . 1 . . . . 34 . . . 6178 1 280 . 1 1 34 34 ILE HD12 H 1 0.820 0.03 . 1 . . . . 34 . . . 6178 1 281 . 1 1 34 34 ILE HD13 H 1 0.820 0.03 . 1 . . . . 34 . . . 6178 1 282 . 1 1 34 34 ILE CG2 C 13 17.330 0.75 . 1 . . . . 34 . . . 6178 1 283 . 1 1 34 34 ILE HG21 H 1 0.950 0.03 . 1 . . . . 34 . . . 6178 1 284 . 1 1 34 34 ILE HG22 H 1 0.950 0.03 . 1 . . . . 34 . . . 6178 1 285 . 1 1 34 34 ILE HG23 H 1 0.950 0.03 . 1 . . . . 34 . . . 6178 1 286 . 1 1 34 34 ILE C C 13 179.070 0.75 . 1 . . . . 34 . . . 6178 1 287 . 1 1 35 35 SER N N 15 116.020 0.5 . 1 . . . . 35 . . . 6178 1 288 . 1 1 35 35 SER H H 1 7.890 0.03 . 1 . . . . 35 . . . 6178 1 289 . 1 1 35 35 SER CA C 13 62.290 0.75 . 1 . . . . 35 . . . 6178 1 290 . 1 1 35 35 SER HA H 1 4.020 0.03 . 1 . . . . 35 . . . 6178 1 291 . 1 1 35 35 SER CB C 13 62.440 0.75 . 1 . . . . 35 . . . 6178 1 292 . 1 1 35 35 SER HB3 H 1 4.020 0.03 . 1 . . . . 35 . . . 6178 1 293 . 1 1 35 35 SER HB2 H 1 4.020 0.03 . 1 . . . . 35 . . . 6178 1 294 . 1 1 35 35 SER C C 13 175.400 0.75 . 1 . . . . 35 . . . 6178 1 295 . 1 1 36 36 LEU N N 15 121.610 0.5 . 1 . . . . 36 . . . 6178 1 296 . 1 1 36 36 LEU H H 1 7.510 0.03 . 1 . . . . 36 . . . 6178 1 297 . 1 1 36 36 LEU CA C 13 56.160 0.75 . 1 . . . . 36 . . . 6178 1 298 . 1 1 36 36 LEU HA H 1 4.280 0.03 . 1 . . . . 36 . . . 6178 1 299 . 1 1 36 36 LEU CB C 13 42.210 0.75 . 1 . . . . 36 . . . 6178 1 300 . 1 1 36 36 LEU HB3 H 1 1.960 0.03 . 2 . . . . 36 . . . 6178 1 301 . 1 1 36 36 LEU HB2 H 1 1.180 0.03 . 2 . . . . 36 . . . 6178 1 302 . 1 1 36 36 LEU CG C 13 26.520 0.75 . 1 . . . . 36 . . . 6178 1 303 . 1 1 36 36 LEU CD1 C 13 22.180 0.75 . 1 . . . . 36 . . . 6178 1 304 . 1 1 36 36 LEU HD11 H 1 0.710 0.03 . 1 . . . . 36 . . . 6178 1 305 . 1 1 36 36 LEU HD12 H 1 0.710 0.03 . 1 . . . . 36 . . . 6178 1 306 . 1 1 36 36 LEU HD13 H 1 0.710 0.03 . 1 . . . . 36 . . . 6178 1 307 . 1 1 36 36 LEU CD2 C 13 22.180 0.75 . 1 . . . . 36 . . . 6178 1 308 . 1 1 36 36 LEU HD21 H 1 0.710 0.03 . 1 . . . . 36 . . . 6178 1 309 . 1 1 36 36 LEU HD22 H 1 0.710 0.03 . 1 . . . . 36 . . . 6178 1 310 . 1 1 36 36 LEU HD23 H 1 0.710 0.03 . 1 . . . . 36 . . . 6178 1 311 . 1 1 36 36 LEU C C 13 179.680 0.75 . 1 . . . . 36 . . . 6178 1 312 . 1 1 37 37 GLY N N 15 104.200 0.5 . 1 . . . . 37 . . . 6178 1 313 . 1 1 37 37 GLY H H 1 7.950 0.03 . 1 . . . . 37 . . . 6178 1 314 . 1 1 37 37 GLY CA C 13 45.510 0.75 . 1 . . . . 37 . . . 6178 1 315 . 1 1 37 37 GLY HA3 H 1 5.000 0.03 . 2 . . . . 37 . . . 6178 1 316 . 1 1 37 37 GLY HA2 H 1 3.380 0.03 . 2 . . . . 37 . . . 6178 1 317 . 1 1 37 37 GLY C C 13 173.650 0.75 . 1 . . . . 37 . . . 6178 1 318 . 1 1 38 38 LEU N N 15 121.990 0.5 . 1 . . . . 38 . . . 6178 1 319 . 1 1 38 38 LEU H H 1 7.190 0.03 . 1 . . . . 38 . . . 6178 1 320 . 1 1 38 38 LEU CA C 13 57.390 0.75 . 1 . . . . 38 . . . 6178 1 321 . 1 1 38 38 LEU HA H 1 4.630 0.03 . 1 . . . . 38 . . . 6178 1 322 . 1 1 38 38 LEU CB C 13 39.610 0.75 . 1 . . . . 38 . . . 6178 1 323 . 1 1 38 38 LEU HB3 H 1 1.800 0.03 . 2 . . . . 38 . . . 6178 1 324 . 1 1 38 38 LEU HB2 H 1 1.510 0.03 . 2 . . . . 38 . . . 6178 1 325 . 1 1 38 38 LEU CG C 13 26.340 0.75 . 1 . . . . 38 . . . 6178 1 326 . 1 1 38 38 LEU HG H 1 1.860 0.03 . 1 . . . . 38 . . . 6178 1 327 . 1 1 38 38 LEU CD1 C 13 25.060 0.75 . 1 . . . . 38 . . . 6178 1 328 . 1 1 38 38 LEU HD11 H 1 0.920 0.03 . 1 . . . . 38 . . . 6178 1 329 . 1 1 38 38 LEU HD12 H 1 0.920 0.03 . 1 . . . . 38 . . . 6178 1 330 . 1 1 38 38 LEU HD13 H 1 0.920 0.03 . 1 . . . . 38 . . . 6178 1 331 . 1 1 38 38 LEU CD2 C 13 21.880 0.75 . 1 . . . . 38 . . . 6178 1 332 . 1 1 38 38 LEU HD21 H 1 0.920 0.03 . 1 . . . . 38 . . . 6178 1 333 . 1 1 38 38 LEU HD22 H 1 0.920 0.03 . 1 . . . . 38 . . . 6178 1 334 . 1 1 38 38 LEU HD23 H 1 0.920 0.03 . 1 . . . . 38 . . . 6178 1 335 . 1 1 38 38 LEU C C 13 175.470 0.75 . 1 . . . . 38 . . . 6178 1 336 . 1 1 39 39 PRO CA C 13 64.130 0.75 . 1 . . . . 39 . . . 6178 1 337 . 1 1 39 39 PRO HA H 1 4.030 0.03 . 1 . . . . 39 . . . 6178 1 338 . 1 1 39 39 PRO CB C 13 30.030 0.75 . 1 . . . . 39 . . . 6178 1 339 . 1 1 39 39 PRO HB3 H 1 1.700 0.03 . 2 . . . . 39 . . . 6178 1 340 . 1 1 39 39 PRO HB2 H 1 -0.090 0.03 . 2 . . . . 39 . . . 6178 1 341 . 1 1 39 39 PRO CG C 13 27.700 0.75 . 1 . . . . 39 . . . 6178 1 342 . 1 1 39 39 PRO HG3 H 1 1.650 0.03 . 2 . . . . 39 . . . 6178 1 343 . 1 1 39 39 PRO HG2 H 1 1.610 0.03 . 2 . . . . 39 . . . 6178 1 344 . 1 1 39 39 PRO CD C 13 50.700 0.75 . 1 . . . . 39 . . . 6178 1 345 . 1 1 39 39 PRO HD3 H 1 3.740 0.03 . 2 . . . . 39 . . . 6178 1 346 . 1 1 39 39 PRO HD2 H 1 3.080 0.03 . 2 . . . . 39 . . . 6178 1 347 . 1 1 39 39 PRO C C 13 176.550 0.75 . 1 . . . . 39 . . . 6178 1 348 . 1 1 40 40 PHE N N 15 114.090 0.5 . 1 . . . . 40 . . . 6178 1 349 . 1 1 40 40 PHE H H 1 7.770 0.03 . 1 . . . . 40 . . . 6178 1 350 . 1 1 40 40 PHE CA C 13 57.390 0.75 . 1 . . . . 40 . . . 6178 1 351 . 1 1 40 40 PHE HA H 1 4.410 0.03 . 1 . . . . 40 . . . 6178 1 352 . 1 1 40 40 PHE CB C 13 40.140 0.75 . 1 . . . . 40 . . . 6178 1 353 . 1 1 40 40 PHE HB3 H 1 3.440 0.03 . 2 . . . . 40 . . . 6178 1 354 . 1 1 40 40 PHE HB2 H 1 2.720 0.03 . 2 . . . . 40 . . . 6178 1 355 . 1 1 40 40 PHE CD1 C 13 131.700 0.75 . 1 . . . . 40 . . . 6178 1 356 . 1 1 40 40 PHE HD1 H 1 7.250 0.03 . 1 . . . . 40 . . . 6178 1 357 . 1 1 40 40 PHE CE1 C 13 131.300 0.75 . 1 . . . . 40 . . . 6178 1 358 . 1 1 40 40 PHE HE1 H 1 7.080 0.03 . 1 . . . . 40 . . . 6178 1 359 . 1 1 40 40 PHE CZ C 13 129.580 0.75 . 1 . . . . 40 . . . 6178 1 360 . 1 1 40 40 PHE HZ H 1 6.110 0.03 . 1 . . . . 40 . . . 6178 1 361 . 1 1 40 40 PHE CE2 C 13 131.300 0.75 . 1 . . . . 40 . . . 6178 1 362 . 1 1 40 40 PHE HE2 H 1 7.080 0.03 . 1 . . . . 40 . . . 6178 1 363 . 1 1 40 40 PHE CD2 C 13 131.700 0.75 . 1 . . . . 40 . . . 6178 1 364 . 1 1 40 40 PHE HD2 H 1 7.250 0.03 . 1 . . . . 40 . . . 6178 1 365 . 1 1 40 40 PHE C C 13 175.150 0.75 . 1 . . . . 40 . . . 6178 1 366 . 1 1 41 41 GLY N N 15 108.440 0.5 . 1 . . . . 41 . . . 6178 1 367 . 1 1 41 41 GLY H H 1 7.600 0.03 . 1 . . . . 41 . . . 6178 1 368 . 1 1 41 41 GLY CA C 13 45.120 0.75 . 1 . . . . 41 . . . 6178 1 369 . 1 1 41 41 GLY HA3 H 1 4.000 0.03 . 2 . . . . 41 . . . 6178 1 370 . 1 1 41 41 GLY HA2 H 1 3.960 0.03 . 2 . . . . 41 . . . 6178 1 371 . 1 1 41 41 GLY C C 13 170.220 0.75 . 1 . . . . 41 . . . 6178 1 372 . 1 1 42 42 LYS N N 15 120.510 0.5 . 1 . . . . 42 . . . 6178 1 373 . 1 1 42 42 LYS H H 1 7.540 0.03 . 1 . . . . 42 . . . 6178 1 374 . 1 1 42 42 LYS CA C 13 54.400 0.75 . 1 . . . . 42 . . . 6178 1 375 . 1 1 42 42 LYS HA H 1 4.410 0.03 . 1 . . . . 42 . . . 6178 1 376 . 1 1 42 42 LYS CB C 13 33.630 0.75 . 1 . . . . 42 . . . 6178 1 377 . 1 1 42 42 LYS HB3 H 1 1.610 0.03 . 2 . . . . 42 . . . 6178 1 378 . 1 1 42 42 LYS HB2 H 1 1.480 0.03 . 2 . . . . 42 . . . 6178 1 379 . 1 1 42 42 LYS CG C 13 24.880 0.75 . 1 . . . . 42 . . . 6178 1 380 . 1 1 42 42 LYS HG3 H 1 1.420 0.03 . 2 . . . . 42 . . . 6178 1 381 . 1 1 42 42 LYS HG2 H 1 1.240 0.03 . 2 . . . . 42 . . . 6178 1 382 . 1 1 42 42 LYS CD C 13 28.500 0.75 . 1 . . . . 42 . . . 6178 1 383 . 1 1 42 42 LYS HD3 H 1 1.600 0.03 . 1 . . . . 42 . . . 6178 1 384 . 1 1 42 42 LYS HD2 H 1 1.600 0.03 . 1 . . . . 42 . . . 6178 1 385 . 1 1 42 42 LYS CE C 13 41.300 0.75 . 1 . . . . 42 . . . 6178 1 386 . 1 1 42 42 LYS HE3 H 1 2.920 0.03 . 1 . . . . 42 . . . 6178 1 387 . 1 1 42 42 LYS HE2 H 1 2.920 0.03 . 1 . . . . 42 . . . 6178 1 388 . 1 1 42 42 LYS C C 13 175.070 0.75 . 1 . . . . 42 . . . 6178 1 389 . 1 1 43 43 VAL N N 15 126.750 0.5 . 1 . . . . 43 . . . 6178 1 390 . 1 1 43 43 VAL H H 1 8.060 0.03 . 1 . . . . 43 . . . 6178 1 391 . 1 1 43 43 VAL CA C 13 61.370 0.75 . 1 . . . . 43 . . . 6178 1 392 . 1 1 43 43 VAL HA H 1 4.590 0.03 . 1 . . . . 43 . . . 6178 1 393 . 1 1 43 43 VAL CB C 13 31.710 0.75 . 1 . . . . 43 . . . 6178 1 394 . 1 1 43 43 VAL HB H 1 2.010 0.03 . 1 . . . . 43 . . . 6178 1 395 . 1 1 43 43 VAL CG2 C 13 21.870 0.75 . 1 . . . . 43 . . . 6178 1 396 . 1 1 43 43 VAL HG21 H 1 0.960 0.03 . 2 . . . . 43 . . . 6178 1 397 . 1 1 43 43 VAL HG22 H 1 0.960 0.03 . 2 . . . . 43 . . . 6178 1 398 . 1 1 43 43 VAL HG23 H 1 0.960 0.03 . 2 . . . . 43 . . . 6178 1 399 . 1 1 43 43 VAL CG1 C 13 21.150 0.75 . 1 . . . . 43 . . . 6178 1 400 . 1 1 43 43 VAL HG11 H 1 1.080 0.03 . 2 . . . . 43 . . . 6178 1 401 . 1 1 43 43 VAL HG12 H 1 1.080 0.03 . 2 . . . . 43 . . . 6178 1 402 . 1 1 43 43 VAL HG13 H 1 1.080 0.03 . 2 . . . . 43 . . . 6178 1 403 . 1 1 43 43 VAL C C 13 177.220 0.75 . 1 . . . . 43 . . . 6178 1 404 . 1 1 44 44 THR N N 15 122.890 0.5 . 1 . . . . 44 . . . 6178 1 405 . 1 1 44 44 THR H H 1 9.200 0.03 . 1 . . . . 44 . . . 6178 1 406 . 1 1 44 44 THR CA C 13 62.060 0.75 . 1 . . . . 44 . . . 6178 1 407 . 1 1 44 44 THR HA H 1 4.240 0.03 . 1 . . . . 44 . . . 6178 1 408 . 1 1 44 44 THR CB C 13 67.810 0.75 . 1 . . . . 44 . . . 6178 1 409 . 1 1 44 44 THR HB H 1 4.170 0.03 . 1 . . . . 44 . . . 6178 1 410 . 1 1 44 44 THR CG2 C 13 22.650 0.75 . 1 . . . . 44 . . . 6178 1 411 . 1 1 44 44 THR HG21 H 1 1.030 0.03 . 1 . . . . 44 . . . 6178 1 412 . 1 1 44 44 THR HG22 H 1 1.030 0.03 . 1 . . . . 44 . . . 6178 1 413 . 1 1 44 44 THR HG23 H 1 1.030 0.03 . 1 . . . . 44 . . . 6178 1 414 . 1 1 44 44 THR C C 13 175.170 0.75 . 1 . . . . 44 . . . 6178 1 415 . 1 1 45 45 ASN N N 15 119.810 0.5 . 1 . . . . 45 . . . 6178 1 416 . 1 1 45 45 ASN H H 1 7.750 0.03 . 1 . . . . 45 . . . 6178 1 417 . 1 1 45 45 ASN CA C 13 52.790 0.75 . 1 . . . . 45 . . . 6178 1 418 . 1 1 45 45 ASN HA H 1 4.790 0.03 . 1 . . . . 45 . . . 6178 1 419 . 1 1 45 45 ASN CB C 13 41.830 0.75 . 1 . . . . 45 . . . 6178 1 420 . 1 1 45 45 ASN HB3 H 1 2.800 0.03 . 2 . . . . 45 . . . 6178 1 421 . 1 1 45 45 ASN HB2 H 1 2.390 0.03 . 2 . . . . 45 . . . 6178 1 422 . 1 1 45 45 ASN ND2 N 15 114.780 0.5 . 1 . . . . 45 . . . 6178 1 423 . 1 1 45 45 ASN HD21 H 1 6.760 0.03 . 2 . . . . 45 . . . 6178 1 424 . 1 1 45 45 ASN HD22 H 1 7.860 0.03 . 2 . . . . 45 . . . 6178 1 425 . 1 1 45 45 ASN C C 13 172.020 0.75 . 1 . . . . 45 . . . 6178 1 426 . 1 1 46 46 LEU N N 15 124.430 0.5 . 1 . . . . 46 . . . 6178 1 427 . 1 1 46 46 LEU H H 1 8.360 0.03 . 1 . . . . 46 . . . 6178 1 428 . 1 1 46 46 LEU CA C 13 53.940 0.75 . 1 . . . . 46 . . . 6178 1 429 . 1 1 46 46 LEU HA H 1 5.010 0.03 . 1 . . . . 46 . . . 6178 1 430 . 1 1 46 46 LEU CB C 13 44.890 0.75 . 1 . . . . 46 . . . 6178 1 431 . 1 1 46 46 LEU HB3 H 1 1.690 0.03 . 2 . . . . 46 . . . 6178 1 432 . 1 1 46 46 LEU HB2 H 1 1.330 0.03 . 2 . . . . 46 . . . 6178 1 433 . 1 1 46 46 LEU CG C 13 27.820 0.75 . 1 . . . . 46 . . . 6178 1 434 . 1 1 46 46 LEU HG H 1 1.390 0.03 . 1 . . . . 46 . . . 6178 1 435 . 1 1 46 46 LEU CD1 C 13 25.190 0.75 . 1 . . . . 46 . . . 6178 1 436 . 1 1 46 46 LEU HD11 H 1 0.820 0.03 . 2 . . . . 46 . . . 6178 1 437 . 1 1 46 46 LEU HD12 H 1 0.820 0.03 . 2 . . . . 46 . . . 6178 1 438 . 1 1 46 46 LEU HD13 H 1 0.820 0.03 . 2 . . . . 46 . . . 6178 1 439 . 1 1 46 46 LEU CD2 C 13 26.280 0.75 . 1 . . . . 46 . . . 6178 1 440 . 1 1 46 46 LEU HD21 H 1 0.890 0.03 . 2 . . . . 46 . . . 6178 1 441 . 1 1 46 46 LEU HD22 H 1 0.890 0.03 . 2 . . . . 46 . . . 6178 1 442 . 1 1 46 46 LEU HD23 H 1 0.890 0.03 . 2 . . . . 46 . . . 6178 1 443 . 1 1 46 46 LEU C C 13 173.960 0.75 . 1 . . . . 46 . . . 6178 1 444 . 1 1 47 47 LEU N N 15 129.760 0.5 . 1 . . . . 47 . . . 6178 1 445 . 1 1 47 47 LEU H H 1 9.130 0.03 . 1 . . . . 47 . . . 6178 1 446 . 1 1 47 47 LEU CA C 13 53.630 0.75 . 1 . . . . 47 . . . 6178 1 447 . 1 1 47 47 LEU HA H 1 4.760 0.03 . 1 . . . . 47 . . . 6178 1 448 . 1 1 47 47 LEU CB C 13 44.820 0.75 . 1 . . . . 47 . . . 6178 1 449 . 1 1 47 47 LEU HB3 H 1 1.830 0.03 . 2 . . . . 47 . . . 6178 1 450 . 1 1 47 47 LEU HB2 H 1 1.440 0.03 . 2 . . . . 47 . . . 6178 1 451 . 1 1 47 47 LEU CG C 13 27.500 0.75 . 1 . . . . 47 . . . 6178 1 452 . 1 1 47 47 LEU HG H 1 1.510 0.03 . 1 . . . . 47 . . . 6178 1 453 . 1 1 47 47 LEU CD1 C 13 23.140 0.75 . 1 . . . . 47 . . . 6178 1 454 . 1 1 47 47 LEU HD11 H 1 0.910 0.03 . 2 . . . . 47 . . . 6178 1 455 . 1 1 47 47 LEU HD12 H 1 0.910 0.03 . 2 . . . . 47 . . . 6178 1 456 . 1 1 47 47 LEU HD13 H 1 0.910 0.03 . 2 . . . . 47 . . . 6178 1 457 . 1 1 47 47 LEU CD2 C 13 25.050 0.75 . 1 . . . . 47 . . . 6178 1 458 . 1 1 47 47 LEU HD21 H 1 0.780 0.03 . 2 . . . . 47 . . . 6178 1 459 . 1 1 47 47 LEU HD22 H 1 0.780 0.03 . 2 . . . . 47 . . . 6178 1 460 . 1 1 47 47 LEU HD23 H 1 0.780 0.03 . 2 . . . . 47 . . . 6178 1 461 . 1 1 47 47 LEU C C 13 174.980 0.75 . 1 . . . . 47 . . . 6178 1 462 . 1 1 48 48 MET N N 15 127.900 0.5 . 1 . . . . 48 . . . 6178 1 463 . 1 1 48 48 MET H H 1 9.140 0.03 . 1 . . . . 48 . . . 6178 1 464 . 1 1 48 48 MET CA C 13 53.860 0.75 . 1 . . . . 48 . . . 6178 1 465 . 1 1 48 48 MET HA H 1 4.690 0.03 . 1 . . . . 48 . . . 6178 1 466 . 1 1 48 48 MET CB C 13 32.560 0.75 . 1 . . . . 48 . . . 6178 1 467 . 1 1 48 48 MET HB3 H 1 2.030 0.03 . 1 . . . . 48 . . . 6178 1 468 . 1 1 48 48 MET HB2 H 1 2.030 0.03 . 1 . . . . 48 . . . 6178 1 469 . 1 1 48 48 MET CG C 13 31.780 0.75 . 1 . . . . 48 . . . 6178 1 470 . 1 1 48 48 MET HG3 H 1 2.600 0.03 . 2 . . . . 48 . . . 6178 1 471 . 1 1 48 48 MET HG2 H 1 2.420 0.03 . 2 . . . . 48 . . . 6178 1 472 . 1 1 48 48 MET CE C 13 16.850 0.75 . 1 . . . . 48 . . . 6178 1 473 . 1 1 48 48 MET HE1 H 1 1.850 0.03 . 1 . . . . 48 . . . 6178 1 474 . 1 1 48 48 MET HE2 H 1 1.850 0.03 . 1 . . . . 48 . . . 6178 1 475 . 1 1 48 48 MET HE3 H 1 1.850 0.03 . 1 . . . . 48 . . . 6178 1 476 . 1 1 48 48 MET C C 13 175.290 0.75 . 1 . . . . 48 . . . 6178 1 477 . 1 1 49 49 LEU N N 15 129.190 0.5 . 1 . . . . 49 . . . 6178 1 478 . 1 1 49 49 LEU H H 1 8.430 0.03 . 1 . . . . 49 . . . 6178 1 479 . 1 1 49 49 LEU CA C 13 53.020 0.75 . 1 . . . . 49 . . . 6178 1 480 . 1 1 49 49 LEU HA H 1 4.740 0.03 . 1 . . . . 49 . . . 6178 1 481 . 1 1 49 49 LEU CB C 13 40.530 0.75 . 1 . . . . 49 . . . 6178 1 482 . 1 1 49 49 LEU HB3 H 1 1.580 0.03 . 2 . . . . 49 . . . 6178 1 483 . 1 1 49 49 LEU HB2 H 1 1.470 0.03 . 2 . . . . 49 . . . 6178 1 484 . 1 1 49 49 LEU CG C 13 27.700 0.75 . 1 . . . . 49 . . . 6178 1 485 . 1 1 49 49 LEU HG H 1 1.530 0.03 . 1 . . . . 49 . . . 6178 1 486 . 1 1 49 49 LEU CD1 C 13 24.150 0.75 . 1 . . . . 49 . . . 6178 1 487 . 1 1 49 49 LEU HD11 H 1 0.890 0.03 . 1 . . . . 49 . . . 6178 1 488 . 1 1 49 49 LEU HD12 H 1 0.890 0.03 . 1 . . . . 49 . . . 6178 1 489 . 1 1 49 49 LEU HD13 H 1 0.890 0.03 . 1 . . . . 49 . . . 6178 1 490 . 1 1 49 49 LEU CD2 C 13 25.580 0.75 . 1 . . . . 49 . . . 6178 1 491 . 1 1 49 49 LEU HD21 H 1 0.890 0.03 . 1 . . . . 49 . . . 6178 1 492 . 1 1 49 49 LEU HD22 H 1 0.890 0.03 . 1 . . . . 49 . . . 6178 1 493 . 1 1 49 49 LEU HD23 H 1 0.890 0.03 . 1 . . . . 49 . . . 6178 1 494 . 1 1 49 49 LEU C C 13 177.060 0.75 . 1 . . . . 49 . . . 6178 1 495 . 1 1 50 50 LYS N N 15 126.360 0.5 . 1 . . . . 50 . . . 6178 1 496 . 1 1 50 50 LYS H H 1 8.420 0.03 . 1 . . . . 50 . . . 6178 1 497 . 1 1 50 50 LYS CA C 13 58.920 0.75 . 1 . . . . 50 . . . 6178 1 498 . 1 1 50 50 LYS HA H 1 4.040 0.03 . 1 . . . . 50 . . . 6178 1 499 . 1 1 50 50 LYS CB C 13 31.790 0.75 . 1 . . . . 50 . . . 6178 1 500 . 1 1 50 50 LYS HB3 H 1 1.830 0.03 . 1 . . . . 50 . . . 6178 1 501 . 1 1 50 50 LYS HB2 H 1 1.830 0.03 . 1 . . . . 50 . . . 6178 1 502 . 1 1 50 50 LYS CG C 13 25.460 0.75 . 1 . . . . 50 . . . 6178 1 503 . 1 1 50 50 LYS HG3 H 1 1.520 0.03 . 2 . . . . 50 . . . 6178 1 504 . 1 1 50 50 LYS HG2 H 1 1.420 0.03 . 2 . . . . 50 . . . 6178 1 505 . 1 1 50 50 LYS CD C 13 29.250 0.75 . 1 . . . . 50 . . . 6178 1 506 . 1 1 50 50 LYS HD3 H 1 1.730 0.03 . 1 . . . . 50 . . . 6178 1 507 . 1 1 50 50 LYS HD2 H 1 1.730 0.03 . 1 . . . . 50 . . . 6178 1 508 . 1 1 50 50 LYS CE C 13 41.810 0.75 . 1 . . . . 50 . . . 6178 1 509 . 1 1 50 50 LYS HE3 H 1 3.000 0.03 . 1 . . . . 50 . . . 6178 1 510 . 1 1 50 50 LYS HE2 H 1 3.000 0.03 . 1 . . . . 50 . . . 6178 1 511 . 1 1 51 51 GLY N N 15 111.200 0.5 . 1 . . . . 51 . . . 6178 1 512 . 1 1 51 51 GLY H H 1 8.940 0.03 . 1 . . . . 51 . . . 6178 1 513 . 1 1 51 51 GLY CA C 13 45.430 0.75 . 1 . . . . 51 . . . 6178 1 514 . 1 1 51 51 GLY HA3 H 1 4.000 0.03 . 1 . . . . 51 . . . 6178 1 515 . 1 1 51 51 GLY HA2 H 1 4.000 0.03 . 1 . . . . 51 . . . 6178 1 516 . 1 1 51 51 GLY C C 13 174.470 0.75 . 1 . . . . 51 . . . 6178 1 517 . 1 1 52 52 LYS N N 15 118.200 0.5 . 1 . . . . 52 . . . 6178 1 518 . 1 1 52 52 LYS H H 1 7.470 0.03 . 1 . . . . 52 . . . 6178 1 519 . 1 1 52 52 LYS CA C 13 54.170 0.75 . 1 . . . . 52 . . . 6178 1 520 . 1 1 52 52 LYS CB C 13 33.250 0.75 . 1 . . . . 52 . . . 6178 1 521 . 1 1 52 52 LYS C C 13 175.940 0.75 . 1 . . . . 52 . . . 6178 1 522 . 1 1 53 53 ASN N N 15 118.270 0.5 . 1 . . . . 53 . . . 6178 1 523 . 1 1 53 53 ASN H H 1 8.250 0.03 . 1 . . . . 53 . . . 6178 1 524 . 1 1 53 53 ASN CA C 13 53.860 0.75 . 1 . . . . 53 . . . 6178 1 525 . 1 1 53 53 ASN HA H 1 4.490 0.03 . 1 . . . . 53 . . . 6178 1 526 . 1 1 53 53 ASN CB C 13 36.390 0.75 . 1 . . . . 53 . . . 6178 1 527 . 1 1 53 53 ASN HB3 H 1 3.280 0.03 . 2 . . . . 53 . . . 6178 1 528 . 1 1 53 53 ASN HB2 H 1 3.020 0.03 . 2 . . . . 53 . . . 6178 1 529 . 1 1 53 53 ASN ND2 N 15 113.450 0.5 . 1 . . . . 53 . . . 6178 1 530 . 1 1 53 53 ASN HD21 H 1 6.540 0.03 . 2 . . . . 53 . . . 6178 1 531 . 1 1 53 53 ASN HD22 H 1 7.650 0.03 . 2 . . . . 53 . . . 6178 1 532 . 1 1 53 53 ASN C C 13 174.010 0.75 . 1 . . . . 53 . . . 6178 1 533 . 1 1 54 54 GLN N N 15 114.730 0.5 . 1 . . . . 54 . . . 6178 1 534 . 1 1 54 54 GLN H H 1 7.410 0.03 . 1 . . . . 54 . . . 6178 1 535 . 1 1 54 54 GLN CA C 13 53.090 0.75 . 1 . . . . 54 . . . 6178 1 536 . 1 1 54 54 GLN HA H 1 5.280 0.03 . 1 . . . . 54 . . . 6178 1 537 . 1 1 54 54 GLN CB C 13 35.010 0.75 . 1 . . . . 54 . . . 6178 1 538 . 1 1 54 54 GLN HB3 H 1 2.070 0.03 . 2 . . . . 54 . . . 6178 1 539 . 1 1 54 54 GLN HB2 H 1 1.710 0.03 . 2 . . . . 54 . . . 6178 1 540 . 1 1 54 54 GLN CG C 13 34.070 0.75 . 1 . . . . 54 . . . 6178 1 541 . 1 1 54 54 GLN HG3 H 1 2.590 0.03 . 2 . . . . 54 . . . 6178 1 542 . 1 1 54 54 GLN HG2 H 1 2.380 0.03 . 2 . . . . 54 . . . 6178 1 543 . 1 1 54 54 GLN C C 13 174.240 0.75 . 1 . . . . 54 . . . 6178 1 544 . 1 1 55 55 ALA N N 15 121.670 0.5 . 1 . . . . 55 . . . 6178 1 545 . 1 1 55 55 ALA H H 1 8.890 0.03 . 1 . . . . 55 . . . 6178 1 546 . 1 1 55 55 ALA CA C 13 50.870 0.75 . 1 . . . . 55 . . . 6178 1 547 . 1 1 55 55 ALA HA H 1 5.060 0.03 . 1 . . . . 55 . . . 6178 1 548 . 1 1 55 55 ALA CB C 13 24.050 0.75 . 1 . . . . 55 . . . 6178 1 549 . 1 1 55 55 ALA HB1 H 1 1.270 0.03 . 1 . . . . 55 . . . 6178 1 550 . 1 1 55 55 ALA HB2 H 1 1.270 0.03 . 1 . . . . 55 . . . 6178 1 551 . 1 1 55 55 ALA HB3 H 1 1.270 0.03 . 1 . . . . 55 . . . 6178 1 552 . 1 1 55 55 ALA C C 13 174.460 0.75 . 1 . . . . 55 . . . 6178 1 553 . 1 1 56 56 PHE N N 15 119.490 0.5 . 1 . . . . 56 . . . 6178 1 554 . 1 1 56 56 PHE H H 1 9.210 0.03 . 1 . . . . 56 . . . 6178 1 555 . 1 1 56 56 PHE CA C 13 55.780 0.75 . 1 . . . . 56 . . . 6178 1 556 . 1 1 56 56 PHE HA H 1 5.730 0.03 . 1 . . . . 56 . . . 6178 1 557 . 1 1 56 56 PHE CB C 13 41.980 0.75 . 1 . . . . 56 . . . 6178 1 558 . 1 1 56 56 PHE HB3 H 1 2.740 0.03 . 1 . . . . 56 . . . 6178 1 559 . 1 1 56 56 PHE HB2 H 1 2.740 0.03 . 1 . . . . 56 . . . 6178 1 560 . 1 1 56 56 PHE CD1 C 13 130.900 0.75 . 1 . . . . 56 . . . 6178 1 561 . 1 1 56 56 PHE HD1 H 1 6.940 0.03 . 1 . . . . 56 . . . 6178 1 562 . 1 1 56 56 PHE CE1 C 13 130.900 0.75 . 1 . . . . 56 . . . 6178 1 563 . 1 1 56 56 PHE HE1 H 1 6.860 0.03 . 1 . . . . 56 . . . 6178 1 564 . 1 1 56 56 PHE CZ C 13 129.100 0.75 . 1 . . . . 56 . . . 6178 1 565 . 1 1 56 56 PHE HZ H 1 6.730 0.03 . 1 . . . . 56 . . . 6178 1 566 . 1 1 56 56 PHE CE2 C 13 130.900 0.75 . 1 . . . . 56 . . . 6178 1 567 . 1 1 56 56 PHE HE2 H 1 6.860 0.03 . 1 . . . . 56 . . . 6178 1 568 . 1 1 56 56 PHE CD2 C 13 130.900 0.75 . 1 . . . . 56 . . . 6178 1 569 . 1 1 56 56 PHE HD2 H 1 6.940 0.03 . 1 . . . . 56 . . . 6178 1 570 . 1 1 56 56 PHE C C 13 175.180 0.75 . 1 . . . . 56 . . . 6178 1 571 . 1 1 57 57 ILE N N 15 120.900 0.5 . 1 . . . . 57 . . . 6178 1 572 . 1 1 57 57 ILE H H 1 9.210 0.03 . 1 . . . . 57 . . . 6178 1 573 . 1 1 57 57 ILE CA C 13 58.760 0.75 . 1 . . . . 57 . . . 6178 1 574 . 1 1 57 57 ILE HA H 1 4.830 0.03 . 1 . . . . 57 . . . 6178 1 575 . 1 1 57 57 ILE CB C 13 41.750 0.75 . 1 . . . . 57 . . . 6178 1 576 . 1 1 57 57 ILE HB H 1 1.630 0.03 . 1 . . . . 57 . . . 6178 1 577 . 1 1 57 57 ILE CG1 C 13 27.180 0.75 . 2 . . . . 57 . . . 6178 1 578 . 1 1 57 57 ILE HG13 H 1 1.550 0.03 . 1 . . . . 57 . . . 6178 1 579 . 1 1 57 57 ILE HG12 H 1 0.920 0.03 . 1 . . . . 57 . . . 6178 1 580 . 1 1 57 57 ILE CD1 C 13 14.090 0.75 . 1 . . . . 57 . . . 6178 1 581 . 1 1 57 57 ILE HD11 H 1 0.770 0.03 . 1 . . . . 57 . . . 6178 1 582 . 1 1 57 57 ILE HD12 H 1 0.770 0.03 . 1 . . . . 57 . . . 6178 1 583 . 1 1 57 57 ILE HD13 H 1 0.770 0.03 . 1 . . . . 57 . . . 6178 1 584 . 1 1 57 57 ILE CG2 C 13 18.600 0.75 . 1 . . . . 57 . . . 6178 1 585 . 1 1 57 57 ILE HG21 H 1 0.870 0.03 . 1 . . . . 57 . . . 6178 1 586 . 1 1 57 57 ILE HG22 H 1 0.870 0.03 . 1 . . . . 57 . . . 6178 1 587 . 1 1 57 57 ILE HG23 H 1 0.870 0.03 . 1 . . . . 57 . . . 6178 1 588 . 1 1 57 57 ILE C C 13 172.700 0.75 . 1 . . . . 57 . . . 6178 1 589 . 1 1 58 58 GLU N N 15 128.800 0.5 . 1 . . . . 58 . . . 6178 1 590 . 1 1 58 58 GLU H H 1 8.610 0.03 . 1 . . . . 58 . . . 6178 1 591 . 1 1 58 58 GLU CA C 13 53.860 0.75 . 1 . . . . 58 . . . 6178 1 592 . 1 1 58 58 GLU HA H 1 5.030 0.03 . 1 . . . . 58 . . . 6178 1 593 . 1 1 58 58 GLU CB C 13 33.170 0.75 . 1 . . . . 58 . . . 6178 1 594 . 1 1 58 58 GLU HB3 H 1 2.090 0.03 . 2 . . . . 58 . . . 6178 1 595 . 1 1 58 58 GLU HB2 H 1 1.660 0.03 . 2 . . . . 58 . . . 6178 1 596 . 1 1 58 58 GLU CG C 13 37.330 0.75 . 1 . . . . 58 . . . 6178 1 597 . 1 1 58 58 GLU HG3 H 1 2.220 0.03 . 2 . . . . 58 . . . 6178 1 598 . 1 1 58 58 GLU HG2 H 1 1.930 0.03 . 2 . . . . 58 . . . 6178 1 599 . 1 1 58 58 GLU C C 13 175.050 0.75 . 1 . . . . 58 . . . 6178 1 600 . 1 1 59 59 MET N N 15 124.630 0.5 . 1 . . . . 59 . . . 6178 1 601 . 1 1 59 59 MET H H 1 8.780 0.03 . 1 . . . . 59 . . . 6178 1 602 . 1 1 59 59 MET CA C 13 51.410 0.75 . 1 . . . . 59 . . . 6178 1 603 . 1 1 59 59 MET HA H 1 5.680 0.03 . 1 . . . . 59 . . . 6178 1 604 . 1 1 59 59 MET CB C 13 32.020 0.75 . 1 . . . . 59 . . . 6178 1 605 . 1 1 59 59 MET HB3 H 1 2.230 0.03 . 2 . . . . 59 . . . 6178 1 606 . 1 1 59 59 MET HB2 H 1 2.150 0.03 . 2 . . . . 59 . . . 6178 1 607 . 1 1 59 59 MET CG C 13 32.980 0.75 . 1 . . . . 59 . . . 6178 1 608 . 1 1 59 59 MET HG3 H 1 2.550 0.03 . 2 . . . . 59 . . . 6178 1 609 . 1 1 59 59 MET HG2 H 1 2.310 0.03 . 2 . . . . 59 . . . 6178 1 610 . 1 1 59 59 MET CE C 13 15.990 0.75 . 1 . . . . 59 . . . 6178 1 611 . 1 1 59 59 MET HE1 H 1 1.850 0.03 . 1 . . . . 59 . . . 6178 1 612 . 1 1 59 59 MET HE2 H 1 1.850 0.03 . 1 . . . . 59 . . . 6178 1 613 . 1 1 59 59 MET HE3 H 1 1.850 0.03 . 1 . . . . 59 . . . 6178 1 614 . 1 1 59 59 MET C C 13 177.780 0.75 . 1 . . . . 59 . . . 6178 1 615 . 1 1 60 60 ASN N N 15 118.520 0.5 . 1 . . . . 60 . . . 6178 1 616 . 1 1 60 60 ASN H H 1 9.100 0.03 . 1 . . . . 60 . . . 6178 1 617 . 1 1 60 60 ASN CA C 13 56.010 0.75 . 1 . . . . 60 . . . 6178 1 618 . 1 1 60 60 ASN HA H 1 4.320 0.03 . 1 . . . . 60 . . . 6178 1 619 . 1 1 60 60 ASN CB C 13 37.160 0.75 . 1 . . . . 60 . . . 6178 1 620 . 1 1 60 60 ASN HB3 H 1 2.920 0.03 . 2 . . . . 60 . . . 6178 1 621 . 1 1 60 60 ASN HB2 H 1 2.800 0.03 . 2 . . . . 60 . . . 6178 1 622 . 1 1 60 60 ASN ND2 N 15 117.620 0.5 . 1 . . . . 60 . . . 6178 1 623 . 1 1 60 60 ASN HD21 H 1 7.260 0.03 . 2 . . . . 60 . . . 6178 1 624 . 1 1 60 60 ASN HD22 H 1 7.900 0.03 . 2 . . . . 60 . . . 6178 1 625 . 1 1 60 60 ASN C C 13 175.110 0.75 . 1 . . . . 60 . . . 6178 1 626 . 1 1 61 61 THR N N 15 106.510 0.5 . 1 . . . . 61 . . . 6178 1 627 . 1 1 61 61 THR H H 1 7.270 0.03 . 1 . . . . 61 . . . 6178 1 628 . 1 1 61 61 THR CA C 13 58.300 0.75 . 1 . . . . 61 . . . 6178 1 629 . 1 1 61 61 THR HA H 1 4.750 0.03 . 1 . . . . 61 . . . 6178 1 630 . 1 1 61 61 THR CB C 13 72.940 0.75 . 1 . . . . 61 . . . 6178 1 631 . 1 1 61 61 THR HB H 1 4.750 0.03 . 1 . . . . 61 . . . 6178 1 632 . 1 1 61 61 THR CG2 C 13 21.840 0.75 . 1 . . . . 61 . . . 6178 1 633 . 1 1 61 61 THR HG21 H 1 1.260 0.03 . 1 . . . . 61 . . . 6178 1 634 . 1 1 61 61 THR HG22 H 1 1.260 0.03 . 1 . . . . 61 . . . 6178 1 635 . 1 1 61 61 THR HG23 H 1 1.260 0.03 . 1 . . . . 61 . . . 6178 1 636 . 1 1 61 61 THR C C 13 174.360 0.75 . 1 . . . . 61 . . . 6178 1 637 . 1 1 62 62 GLU N N 15 124.430 0.5 . 1 . . . . 62 . . . 6178 1 638 . 1 1 62 62 GLU H H 1 9.330 0.03 . 1 . . . . 62 . . . 6178 1 639 . 1 1 62 62 GLU CA C 13 59.220 0.75 . 1 . . . . 62 . . . 6178 1 640 . 1 1 62 62 GLU HA H 1 3.950 0.03 . 1 . . . . 62 . . . 6178 1 641 . 1 1 62 62 GLU CB C 13 28.800 0.75 . 1 . . . . 62 . . . 6178 1 642 . 1 1 62 62 GLU HB3 H 1 2.030 0.03 . 2 . . . . 62 . . . 6178 1 643 . 1 1 62 62 GLU HB2 H 1 1.910 0.03 . 2 . . . . 62 . . . 6178 1 644 . 1 1 62 62 GLU HG3 H 1 2.210 0.03 . 1 . . . . 62 . . . 6178 1 645 . 1 1 62 62 GLU HG2 H 1 2.210 0.03 . 1 . . . . 62 . . . 6178 1 646 . 1 1 62 62 GLU C C 13 178.740 0.75 . 1 . . . . 62 . . . 6178 1 647 . 1 1 63 63 GLU N N 15 122.700 0.5 . 1 . . . . 63 . . . 6178 1 648 . 1 1 63 63 GLU H H 1 8.810 0.03 . 1 . . . . 63 . . . 6178 1 649 . 1 1 63 63 GLU CA C 13 59.830 0.75 . 1 . . . . 63 . . . 6178 1 650 . 1 1 63 63 GLU HA H 1 4.120 0.03 . 1 . . . . 63 . . . 6178 1 651 . 1 1 63 63 GLU CB C 13 28.650 0.75 . 1 . . . . 63 . . . 6178 1 652 . 1 1 63 63 GLU HB3 H 1 2.140 0.03 . 2 . . . . 63 . . . 6178 1 653 . 1 1 63 63 GLU HB2 H 1 2.000 0.03 . 2 . . . . 63 . . . 6178 1 654 . 1 1 63 63 GLU HG3 H 1 2.370 0.03 . 2 . . . . 63 . . . 6178 1 655 . 1 1 63 63 GLU HG2 H 1 2.320 0.03 . 2 . . . . 63 . . . 6178 1 656 . 1 1 63 63 GLU C C 13 179.000 0.75 . 1 . . . . 63 . . . 6178 1 657 . 1 1 64 64 ALA N N 15 126.230 0.5 . 1 . . . . 64 . . . 6178 1 658 . 1 1 64 64 ALA H H 1 8.410 0.03 . 1 . . . . 64 . . . 6178 1 659 . 1 1 64 64 ALA CA C 13 54.860 0.75 . 1 . . . . 64 . . . 6178 1 660 . 1 1 64 64 ALA HA H 1 4.190 0.03 . 1 . . . . 64 . . . 6178 1 661 . 1 1 64 64 ALA CB C 13 19.530 0.75 . 1 . . . . 64 . . . 6178 1 662 . 1 1 64 64 ALA HB1 H 1 1.550 0.03 . 1 . . . . 64 . . . 6178 1 663 . 1 1 64 64 ALA HB2 H 1 1.550 0.03 . 1 . . . . 64 . . . 6178 1 664 . 1 1 64 64 ALA HB3 H 1 1.550 0.03 . 1 . . . . 64 . . . 6178 1 665 . 1 1 64 64 ALA C C 13 179.390 0.75 . 1 . . . . 64 . . . 6178 1 666 . 1 1 65 65 ALA N N 15 120.260 0.5 . 1 . . . . 65 . . . 6178 1 667 . 1 1 65 65 ALA H H 1 7.480 0.03 . 1 . . . . 65 . . . 6178 1 668 . 1 1 65 65 ALA CA C 13 55.090 0.75 . 1 . . . . 65 . . . 6178 1 669 . 1 1 65 65 ALA HA H 1 3.960 0.03 . 1 . . . . 65 . . . 6178 1 670 . 1 1 65 65 ALA CB C 13 18.920 0.75 . 1 . . . . 65 . . . 6178 1 671 . 1 1 65 65 ALA HB1 H 1 1.710 0.03 . 1 . . . . 65 . . . 6178 1 672 . 1 1 65 65 ALA HB2 H 1 1.710 0.03 . 1 . . . . 65 . . . 6178 1 673 . 1 1 65 65 ALA HB3 H 1 1.710 0.03 . 1 . . . . 65 . . . 6178 1 674 . 1 1 65 65 ALA C C 13 178.380 0.75 . 1 . . . . 65 . . . 6178 1 675 . 1 1 66 66 ASN N N 15 118.140 0.5 . 1 . . . . 66 . . . 6178 1 676 . 1 1 66 66 ASN H H 1 8.870 0.03 . 1 . . . . 66 . . . 6178 1 677 . 1 1 66 66 ASN CA C 13 56.470 0.75 . 1 . . . . 66 . . . 6178 1 678 . 1 1 66 66 ASN HA H 1 4.560 0.03 . 1 . . . . 66 . . . 6178 1 679 . 1 1 66 66 ASN CB C 13 39.070 0.75 . 1 . . . . 66 . . . 6178 1 680 . 1 1 66 66 ASN HB3 H 1 2.960 0.03 . 2 . . . . 66 . . . 6178 1 681 . 1 1 66 66 ASN HB2 H 1 2.880 0.03 . 2 . . . . 66 . . . 6178 1 682 . 1 1 66 66 ASN ND2 N 15 115.440 0.5 . 1 . . . . 66 . . . 6178 1 683 . 1 1 66 66 ASN HD21 H 1 7.270 0.03 . 2 . . . . 66 . . . 6178 1 684 . 1 1 66 66 ASN HD22 H 1 7.750 0.03 . 2 . . . . 66 . . . 6178 1 685 . 1 1 66 66 ASN C C 13 177.670 0.75 . 1 . . . . 66 . . . 6178 1 686 . 1 1 67 67 THR N N 15 118.780 0.5 . 1 . . . . 67 . . . 6178 1 687 . 1 1 67 67 THR H H 1 8.630 0.03 . 1 . . . . 67 . . . 6178 1 688 . 1 1 67 67 THR CA C 13 66.350 0.75 . 1 . . . . 67 . . . 6178 1 689 . 1 1 67 67 THR HA H 1 3.870 0.03 . 1 . . . . 67 . . . 6178 1 690 . 1 1 67 67 THR CB C 13 67.810 0.75 . 1 . . . . 67 . . . 6178 1 691 . 1 1 67 67 THR HB H 1 4.37 0.03 . 1 . . . . 67 . . . 6178 1 692 . 1 1 67 67 THR CG2 C 13 22.410 0.75 . 1 . . . . 67 . . . 6178 1 693 . 1 1 67 67 THR HG21 H 1 1.420 0.03 . 1 . . . . 67 . . . 6178 1 694 . 1 1 67 67 THR HG22 H 1 1.420 0.03 . 1 . . . . 67 . . . 6178 1 695 . 1 1 67 67 THR HG23 H 1 1.420 0.03 . 1 . . . . 67 . . . 6178 1 696 . 1 1 67 67 THR C C 13 175.880 0.75 . 1 . . . . 67 . . . 6178 1 697 . 1 1 68 68 MET N N 15 124.950 0.5 . 1 . . . . 68 . . . 6178 1 698 . 1 1 68 68 MET H H 1 7.810 0.03 . 1 . . . . 68 . . . 6178 1 699 . 1 1 68 68 MET CA C 13 58.460 0.75 . 1 . . . . 68 . . . 6178 1 700 . 1 1 68 68 MET HA H 1 2.140 0.03 . 1 . . . . 68 . . . 6178 1 701 . 1 1 68 68 MET CB C 13 32.100 0.75 . 1 . . . . 68 . . . 6178 1 702 . 1 1 68 68 MET HB3 H 1 2.020 0.03 . 2 . . . . 68 . . . 6178 1 703 . 1 1 68 68 MET CG C 13 32.100 0.75 . 1 . . . . 68 . . . 6178 1 704 . 1 1 68 68 MET HG3 H 1 2.380 0.03 . 2 . . . . 68 . . . 6178 1 705 . 1 1 68 68 MET HG2 H 1 1.390 0.03 . 2 . . . . 68 . . . 6178 1 706 . 1 1 68 68 MET CE C 13 17.710 0.75 . 1 . . . . 68 . . . 6178 1 707 . 1 1 68 68 MET HE1 H 1 1.920 0.03 . 1 . . . . 68 . . . 6178 1 708 . 1 1 68 68 MET HE2 H 1 1.920 0.03 . 1 . . . . 68 . . . 6178 1 709 . 1 1 68 68 MET HE3 H 1 1.920 0.03 . 1 . . . . 68 . . . 6178 1 710 . 1 1 68 68 MET C C 13 176.550 0.75 . 1 . . . . 68 . . . 6178 1 711 . 1 1 69 69 VAL N N 15 120.000 0.5 . 1 . . . . 69 . . . 6178 1 712 . 1 1 69 69 VAL H H 1 8.150 0.03 . 1 . . . . 69 . . . 6178 1 713 . 1 1 69 69 VAL CA C 13 66.810 0.75 . 1 . . . . 69 . . . 6178 1 714 . 1 1 69 69 VAL HA H 1 3.210 0.03 . 1 . . . . 69 . . . 6178 1 715 . 1 1 69 69 VAL CB C 13 31.180 0.75 . 1 . . . . 69 . . . 6178 1 716 . 1 1 69 69 VAL HB H 1 1.570 0.03 . 1 . . . . 69 . . . 6178 1 717 . 1 1 69 69 VAL CG2 C 13 23.440 0.75 . 1 . . . . 69 . . . 6178 1 718 . 1 1 69 69 VAL HG21 H 1 0.040 0.03 . 2 . . . . 69 . . . 6178 1 719 . 1 1 69 69 VAL HG22 H 1 0.040 0.03 . 2 . . . . 69 . . . 6178 1 720 . 1 1 69 69 VAL HG23 H 1 0.040 0.03 . 2 . . . . 69 . . . 6178 1 721 . 1 1 69 69 VAL CG1 C 13 21.110 0.75 . 1 . . . . 69 . . . 6178 1 722 . 1 1 69 69 VAL HG11 H 1 0.540 0.03 . 2 . . . . 69 . . . 6178 1 723 . 1 1 69 69 VAL HG12 H 1 0.540 0.03 . 2 . . . . 69 . . . 6178 1 724 . 1 1 69 69 VAL HG13 H 1 0.540 0.03 . 2 . . . . 69 . . . 6178 1 725 . 1 1 69 69 VAL C C 13 179.100 0.75 . 1 . . . . 69 . . . 6178 1 726 . 1 1 70 70 ASN N N 15 120.450 0.5 . 1 . . . . 70 . . . 6178 1 727 . 1 1 70 70 ASN H H 1 8.370 0.03 . 1 . . . . 70 . . . 6178 1 728 . 1 1 70 70 ASN CA C 13 56.080 0.75 . 1 . . . . 70 . . . 6178 1 729 . 1 1 70 70 ASN HA H 1 4.330 0.03 . 1 . . . . 70 . . . 6178 1 730 . 1 1 70 70 ASN CB C 13 37.620 0.75 . 1 . . . . 70 . . . 6178 1 731 . 1 1 70 70 ASN HB3 H 1 2.880 0.03 . 2 . . . . 70 . . . 6178 1 732 . 1 1 70 70 ASN HB2 H 1 2.730 0.03 . 2 . . . . 70 . . . 6178 1 733 . 1 1 70 70 ASN ND2 N 15 114.280 0.5 . 1 . . . . 70 . . . 6178 1 734 . 1 1 70 70 ASN HD21 H 1 6.930 0.03 . 2 . . . . 70 . . . 6178 1 735 . 1 1 70 70 ASN HD22 H 1 7.610 0.03 . 2 . . . . 70 . . . 6178 1 736 . 1 1 70 70 ASN C C 13 178.350 0.75 . 1 . . . . 70 . . . 6178 1 737 . 1 1 71 71 TYR N N 15 125.400 0.5 . 1 . . . . 71 . . . 6178 1 738 . 1 1 71 71 TYR H H 1 8.320 0.03 . 1 . . . . 71 . . . 6178 1 739 . 1 1 71 71 TYR CA C 13 61.830 0.75 . 1 . . . . 71 . . . 6178 1 740 . 1 1 71 71 TYR HA H 1 4.030 0.03 . 1 . . . . 71 . . . 6178 1 741 . 1 1 71 71 TYR CB C 13 38.070 0.75 . 1 . . . . 71 . . . 6178 1 742 . 1 1 71 71 TYR HB3 H 1 2.940 0.03 . 2 . . . . 71 . . . 6178 1 743 . 1 1 71 71 TYR HB2 H 1 2.540 0.03 . 2 . . . . 71 . . . 6178 1 744 . 1 1 71 71 TYR CD1 C 13 133.300 0.75 . 1 . . . . 71 . . . 6178 1 745 . 1 1 71 71 TYR HD1 H 1 6.280 0.03 . 1 . . . . 71 . . . 6178 1 746 . 1 1 71 71 TYR CE1 C 13 118.100 0.75 . 1 . . . . 71 . . . 6178 1 747 . 1 1 71 71 TYR HE1 H 1 6.630 0.03 . 1 . . . . 71 . . . 6178 1 748 . 1 1 71 71 TYR CE2 C 13 118.100 0.75 . 1 . . . . 71 . . . 6178 1 749 . 1 1 71 71 TYR HE2 H 1 6.630 0.03 . 1 . . . . 71 . . . 6178 1 750 . 1 1 71 71 TYR CD2 C 13 133.300 0.75 . 1 . . . . 71 . . . 6178 1 751 . 1 1 71 71 TYR HD2 H 1 6.280 0.03 . 1 . . . . 71 . . . 6178 1 752 . 1 1 71 71 TYR C C 13 178.060 0.75 . 1 . . . . 71 . . . 6178 1 753 . 1 1 72 72 TYR N N 15 117.690 0.5 . 1 . . . . 72 . . . 6178 1 754 . 1 1 72 72 TYR H H 1 7.820 0.03 . 1 . . . . 72 . . . 6178 1 755 . 1 1 72 72 TYR CA C 13 58.760 0.75 . 1 . . . . 72 . . . 6178 1 756 . 1 1 72 72 TYR HA H 1 5.210 0.03 . 1 . . . . 72 . . . 6178 1 757 . 1 1 72 72 TYR CB C 13 36.770 0.75 . 1 . . . . 72 . . . 6178 1 758 . 1 1 72 72 TYR HB3 H 1 3.390 0.03 . 2 . . . . 72 . . . 6178 1 759 . 1 1 72 72 TYR HB2 H 1 2.590 0.03 . 2 . . . . 72 . . . 6178 1 760 . 1 1 72 72 TYR CD1 C 13 133.600 0.75 . 1 . . . . 72 . . . 6178 1 761 . 1 1 72 72 TYR HD1 H 1 7.190 0.03 . 1 . . . . 72 . . . 6178 1 762 . 1 1 72 72 TYR CE1 C 13 117.800 0.75 . 1 . . . . 72 . . . 6178 1 763 . 1 1 72 72 TYR HE1 H 1 6.990 0.03 . 1 . . . . 72 . . . 6178 1 764 . 1 1 72 72 TYR CE2 C 13 117.800 0.75 . 1 . . . . 72 . . . 6178 1 765 . 1 1 72 72 TYR HE2 H 1 6.990 0.03 . 1 . . . . 72 . . . 6178 1 766 . 1 1 72 72 TYR CD2 C 13 133.600 0.75 . 1 . . . . 72 . . . 6178 1 767 . 1 1 72 72 TYR HD2 H 1 7.190 0.03 . 1 . . . . 72 . . . 6178 1 768 . 1 1 72 72 TYR C C 13 175.690 0.75 . 1 . . . . 72 . . . 6178 1 769 . 1 1 73 73 THR N N 15 115.310 0.5 . 1 . . . . 73 . . . 6178 1 770 . 1 1 73 73 THR H H 1 7.620 0.03 . 1 . . . . 73 . . . 6178 1 771 . 1 1 73 73 THR CA C 13 64.360 0.75 . 1 . . . . 73 . . . 6178 1 772 . 1 1 73 73 THR HA H 1 4.300 0.03 . 1 . . . . 73 . . . 6178 1 773 . 1 1 73 73 THR CB C 13 68.570 0.75 . 1 . . . . 73 . . . 6178 1 774 . 1 1 73 73 THR HB H 1 4.360 0.03 . 1 . . . . 73 . . . 6178 1 775 . 1 1 73 73 THR CG2 C 13 21.100 0.75 . 1 . . . . 73 . . . 6178 1 776 . 1 1 73 73 THR HG21 H 1 1.290 0.03 . 1 . . . . 73 . . . 6178 1 777 . 1 1 73 73 THR HG22 H 1 1.290 0.03 . 1 . . . . 73 . . . 6178 1 778 . 1 1 73 73 THR HG23 H 1 1.290 0.03 . 1 . . . . 73 . . . 6178 1 779 . 1 1 73 73 THR C C 13 175.130 0.75 . 1 . . . . 73 . . . 6178 1 780 . 1 1 74 74 SER N N 15 118.010 0.5 . 1 . . . . 74 . . . 6178 1 781 . 1 1 74 74 SER H H 1 7.330 0.03 . 1 . . . . 74 . . . 6178 1 782 . 1 1 74 74 SER CA C 13 59.220 0.75 . 1 . . . . 74 . . . 6178 1 783 . 1 1 74 74 SER HA H 1 4.500 0.03 . 1 . . . . 74 . . . 6178 1 784 . 1 1 74 74 SER CB C 13 63.670 0.75 . 1 . . . . 74 . . . 6178 1 785 . 1 1 74 74 SER HB3 H 1 3.850 0.03 . 2 . . . . 74 . . . 6178 1 786 . 1 1 74 74 SER HB2 H 1 3.810 0.03 . 2 . . . . 74 . . . 6178 1 787 . 1 1 74 74 SER C C 13 173.590 0.75 . 1 . . . . 74 . . . 6178 1 788 . 1 1 75 75 VAL N N 15 125.140 0.5 . 1 . . . . 75 . . . 6178 1 789 . 1 1 75 75 VAL H H 1 7.710 0.03 . 1 . . . . 75 . . . 6178 1 790 . 1 1 75 75 VAL CA C 13 60.330 0.75 . 1 . . . . 75 . . . 6178 1 791 . 1 1 75 75 VAL HA H 1 4.080 0.03 . 1 . . . . 75 . . . 6178 1 792 . 1 1 75 75 VAL CB C 13 32.710 0.75 . 1 . . . . 75 . . . 6178 1 793 . 1 1 75 75 VAL HB H 1 1.500 0.03 . 1 . . . . 75 . . . 6178 1 794 . 1 1 75 75 VAL CG2 C 13 20.940 0.75 . 1 . . . . 75 . . . 6178 1 795 . 1 1 75 75 VAL HG21 H 1 0.790 0.03 . 2 . . . . 75 . . . 6178 1 796 . 1 1 75 75 VAL HG22 H 1 0.790 0.03 . 2 . . . . 75 . . . 6178 1 797 . 1 1 75 75 VAL HG23 H 1 0.790 0.03 . 2 . . . . 75 . . . 6178 1 798 . 1 1 75 75 VAL CG1 C 13 20.420 0.75 . 1 . . . . 75 . . . 6178 1 799 . 1 1 75 75 VAL HG11 H 1 0.490 0.03 . 2 . . . . 75 . . . 6178 1 800 . 1 1 75 75 VAL HG12 H 1 0.490 0.03 . 2 . . . . 75 . . . 6178 1 801 . 1 1 75 75 VAL HG13 H 1 0.490 0.03 . 2 . . . . 75 . . . 6178 1 802 . 1 1 75 75 VAL C C 13 174.180 0.75 . 1 . . . . 75 . . . 6178 1 803 . 1 1 76 76 THR N N 15 123.340 0.5 . 1 . . . . 76 . . . 6178 1 804 . 1 1 76 76 THR H H 1 8.130 0.03 . 1 . . . . 76 . . . 6178 1 805 . 1 1 76 76 THR CA C 13 60.370 0.75 . 1 . . . . 76 . . . 6178 1 806 . 1 1 76 76 THR HA H 1 4.310 0.03 . 1 . . . . 76 . . . 6178 1 807 . 1 1 76 76 THR CB C 13 69.260 0.75 . 1 . . . . 76 . . . 6178 1 808 . 1 1 76 76 THR HB H 1 3.950 0.03 . 1 . . . . 76 . . . 6178 1 809 . 1 1 76 76 THR CG2 C 13 20.800 0.75 . 1 . . . . 76 . . . 6178 1 810 . 1 1 76 76 THR HG21 H 1 1.220 0.03 . 1 . . . . 76 . . . 6178 1 811 . 1 1 76 76 THR HG22 H 1 1.220 0.03 . 1 . . . . 76 . . . 6178 1 812 . 1 1 76 76 THR HG23 H 1 1.220 0.03 . 1 . . . . 76 . . . 6178 1 813 . 1 1 76 76 THR C C 13 173.050 0.75 . 1 . . . . 76 . . . 6178 1 814 . 1 1 77 77 PRO CA C 13 61.910 0.75 . 1 . . . . 77 . . . 6178 1 815 . 1 1 77 77 PRO HA H 1 4.540 0.03 . 1 . . . . 77 . . . 6178 1 816 . 1 1 77 77 PRO CB C 13 30.110 0.75 . 1 . . . . 77 . . . 6178 1 817 . 1 1 77 77 PRO HB3 H 1 1.420 0.03 . 2 . . . . 77 . . . 6178 1 818 . 1 1 77 77 PRO HB2 H 1 1.270 0.03 . 2 . . . . 77 . . . 6178 1 819 . 1 1 77 77 PRO CG C 13 26.180 0.75 . 1 . . . . 77 . . . 6178 1 820 . 1 1 77 77 PRO HG3 H 1 2.060 0.03 . 2 . . . . 77 . . . 6178 1 821 . 1 1 77 77 PRO HG2 H 1 1.480 0.03 . 2 . . . . 77 . . . 6178 1 822 . 1 1 77 77 PRO CD C 13 50.090 0.75 . 1 . . . . 77 . . . 6178 1 823 . 1 1 77 77 PRO HD3 H 1 4.360 0.03 . 2 . . . . 77 . . . 6178 1 824 . 1 1 77 77 PRO HD2 H 1 4.030 0.03 . 2 . . . . 77 . . . 6178 1 825 . 1 1 77 77 PRO C C 13 173.700 0.75 . 1 . . . . 77 . . . 6178 1 826 . 1 1 78 78 VAL N N 15 119.810 0.5 . 1 . . . . 78 . . . 6178 1 827 . 1 1 78 78 VAL H H 1 7.750 0.03 . 1 . . . . 78 . . . 6178 1 828 . 1 1 78 78 VAL CA C 13 59.220 0.75 . 1 . . . . 78 . . . 6178 1 829 . 1 1 78 78 VAL HA H 1 4.740 0.03 . 1 . . . . 78 . . . 6178 1 830 . 1 1 78 78 VAL CB C 13 35.470 0.75 . 1 . . . . 78 . . . 6178 1 831 . 1 1 78 78 VAL HB H 1 1.580 0.03 . 1 . . . . 78 . . . 6178 1 832 . 1 1 78 78 VAL CG2 C 13 21.080 0.75 . 1 . . . . 78 . . . 6178 1 833 . 1 1 78 78 VAL HG21 H 1 0.570 0.03 . 2 . . . . 78 . . . 6178 1 834 . 1 1 78 78 VAL HG22 H 1 0.570 0.03 . 2 . . . . 78 . . . 6178 1 835 . 1 1 78 78 VAL HG23 H 1 0.570 0.03 . 2 . . . . 78 . . . 6178 1 836 . 1 1 78 78 VAL CG1 C 13 20.120 0.75 . 1 . . . . 78 . . . 6178 1 837 . 1 1 78 78 VAL HG11 H 1 0.710 0.03 . 2 . . . . 78 . . . 6178 1 838 . 1 1 78 78 VAL HG12 H 1 0.710 0.03 . 2 . . . . 78 . . . 6178 1 839 . 1 1 78 78 VAL HG13 H 1 0.710 0.03 . 2 . . . . 78 . . . 6178 1 840 . 1 1 78 78 VAL C C 13 175.330 0.75 . 1 . . . . 78 . . . 6178 1 841 . 1 1 79 79 LEU N N 15 125.650 0.5 . 1 . . . . 79 . . . 6178 1 842 . 1 1 79 79 LEU H H 1 8.450 0.03 . 1 . . . . 79 . . . 6178 1 843 . 1 1 79 79 LEU CA C 13 53.480 0.75 . 1 . . . . 79 . . . 6178 1 844 . 1 1 79 79 LEU HA H 1 4.560 0.03 . 1 . . . . 79 . . . 6178 1 845 . 1 1 79 79 LEU CB C 13 46.270 0.75 . 1 . . . . 79 . . . 6178 1 846 . 1 1 79 79 LEU HB3 H 1 1.310 0.03 . 2 . . . . 79 . . . 6178 1 847 . 1 1 79 79 LEU HB2 H 1 1.260 0.03 . 2 . . . . 79 . . . 6178 1 848 . 1 1 79 79 LEU CG C 13 27.180 0.75 . 1 . . . . 79 . . . 6178 1 849 . 1 1 79 79 LEU HG H 1 1.470 0.03 . 1 . . . . 79 . . . 6178 1 850 . 1 1 79 79 LEU CD1 C 13 24.580 0.75 . 1 . . . . 79 . . . 6178 1 851 . 1 1 79 79 LEU HD11 H 1 0.750 0.03 . 1 . . . . 79 . . . 6178 1 852 . 1 1 79 79 LEU HD12 H 1 0.750 0.03 . 1 . . . . 79 . . . 6178 1 853 . 1 1 79 79 LEU HD13 H 1 0.750 0.03 . 1 . . . . 79 . . . 6178 1 854 . 1 1 79 79 LEU CD2 C 13 25.680 0.75 . 1 . . . . 79 . . . 6178 1 855 . 1 1 79 79 LEU HD21 H 1 0.750 0.03 . 1 . . . . 79 . . . 6178 1 856 . 1 1 79 79 LEU HD22 H 1 0.750 0.03 . 1 . . . . 79 . . . 6178 1 857 . 1 1 79 79 LEU HD23 H 1 0.750 0.03 . 1 . . . . 79 . . . 6178 1 858 . 1 1 79 79 LEU C C 13 175.750 0.75 . 1 . . . . 79 . . . 6178 1 859 . 1 1 80 80 ARG N N 15 124.300 0.5 . 1 . . . . 80 . . . 6178 1 860 . 1 1 80 80 ARG H H 1 9.480 0.03 . 1 . . . . 80 . . . 6178 1 861 . 1 1 80 80 ARG CA C 13 56.080 0.75 . 1 . . . . 80 . . . 6178 1 862 . 1 1 80 80 ARG HA H 1 3.870 0.03 . 1 . . . . 80 . . . 6178 1 863 . 1 1 80 80 ARG CB C 13 27.500 0.75 . 1 . . . . 80 . . . 6178 1 864 . 1 1 80 80 ARG CG C 13 27.300 0.75 . 1 . . . . 80 . . . 6178 1 865 . 1 1 80 80 ARG HG3 H 1 1.810 0.03 . 2 . . . . 80 . . . 6178 1 866 . 1 1 80 80 ARG CD C 13 43.380 0.75 . 1 . . . . 80 . . . 6178 1 867 . 1 1 80 80 ARG HD3 H 1 3.170 0.03 . 2 . . . . 80 . . . 6178 1 868 . 1 1 80 80 ARG HD2 H 1 2.950 0.03 . 2 . . . . 80 . . . 6178 1 869 . 1 1 80 80 ARG NE N 15 85.790 0.5 . 1 . . . . 80 . . . 6178 1 870 . 1 1 80 80 ARG HE H 1 8.920 0.03 . 1 . . . . 80 . . . 6178 1 871 . 1 1 80 80 ARG C C 13 176.780 0.75 . 1 . . . . 80 . . . 6178 1 872 . 1 1 81 81 GLY N N 15 104.910 0.5 . 1 . . . . 81 . . . 6178 1 873 . 1 1 81 81 GLY H H 1 8.370 0.03 . 1 . . . . 81 . . . 6178 1 874 . 1 1 81 81 GLY CA C 13 44.970 0.75 . 1 . . . . 81 . . . 6178 1 875 . 1 1 81 81 GLY HA3 H 1 4.080 0.03 . 2 . . . . 81 . . . 6178 1 876 . 1 1 81 81 GLY HA2 H 1 3.470 0.03 . 2 . . . . 81 . . . 6178 1 877 . 1 1 81 81 GLY C C 13 173.370 0.75 . 1 . . . . 81 . . . 6178 1 878 . 1 1 82 82 GLN N N 15 123.660 0.5 . 1 . . . . 82 . . . 6178 1 879 . 1 1 82 82 GLN H H 1 7.990 0.03 . 1 . . . . 82 . . . 6178 1 880 . 1 1 82 82 GLN CA C 13 51.480 0.75 . 1 . . . . 82 . . . 6178 1 881 . 1 1 82 82 GLN HA H 1 4.920 0.03 . 1 . . . . 82 . . . 6178 1 882 . 1 1 82 82 GLN CB C 13 30.030 0.75 . 1 . . . . 82 . . . 6178 1 883 . 1 1 82 82 GLN HB3 H 1 2.160 0.03 . 2 . . . . 82 . . . 6178 1 884 . 1 1 82 82 GLN HB2 H 1 1.970 0.03 . 2 . . . . 82 . . . 6178 1 885 . 1 1 82 82 GLN CG C 13 33.280 0.75 . 1 . . . . 82 . . . 6178 1 886 . 1 1 82 82 GLN HG3 H 1 2.320 0.03 . 1 . . . . 82 . . . 6178 1 887 . 1 1 82 82 GLN HG2 H 1 2.320 0.03 . 1 . . . . 82 . . . 6178 1 888 . 1 1 82 82 GLN NE2 N 15 115.050 0.5 . 1 . . . . 82 . . . 6178 1 889 . 1 1 82 82 GLN HE21 H 1 6.870 0.03 . 2 . . . . 82 . . . 6178 1 890 . 1 1 82 82 GLN HE22 H 1 7.550 0.03 . 2 . . . . 82 . . . 6178 1 891 . 1 1 82 82 GLN C C 13 172.370 0.75 . 1 . . . . 82 . . . 6178 1 892 . 1 1 83 83 PRO CA C 13 62.140 0.75 . 1 . . . . 83 . . . 6178 1 893 . 1 1 83 83 PRO HA H 1 4.840 0.03 . 1 . . . . 83 . . . 6178 1 894 . 1 1 83 83 PRO CB C 13 31.640 0.75 . 1 . . . . 83 . . . 6178 1 895 . 1 1 83 83 PRO HB3 H 1 2.060 0.03 . 2 . . . . 83 . . . 6178 1 896 . 1 1 83 83 PRO HB2 H 1 1.770 0.03 . 2 . . . . 83 . . . 6178 1 897 . 1 1 83 83 PRO CG C 13 27.580 0.75 . 1 . . . . 83 . . . 6178 1 898 . 1 1 83 83 PRO HG3 H 1 2.120 0.03 . 2 . . . . 83 . . . 6178 1 899 . 1 1 83 83 PRO HG2 H 1 1.890 0.03 . 2 . . . . 83 . . . 6178 1 900 . 1 1 83 83 PRO CD C 13 50.530 0.75 . 1 . . . . 83 . . . 6178 1 901 . 1 1 83 83 PRO HD3 H 1 3.840 0.03 . 2 . . . . 83 . . . 6178 1 902 . 1 1 83 83 PRO HD2 H 1 3.710 0.03 . 2 . . . . 83 . . . 6178 1 903 . 1 1 83 83 PRO C C 13 176.370 0.75 . 1 . . . . 83 . . . 6178 1 904 . 1 1 84 84 ILE N N 15 119.170 0.5 . 1 . . . . 84 . . . 6178 1 905 . 1 1 84 84 ILE H H 1 7.750 0.03 . 1 . . . . 84 . . . 6178 1 906 . 1 1 84 84 ILE CA C 13 58.530 0.75 . 1 . . . . 84 . . . 6178 1 907 . 1 1 84 84 ILE HA H 1 4.560 0.03 . 1 . . . . 84 . . . 6178 1 908 . 1 1 84 84 ILE CB C 13 39.220 0.75 . 1 . . . . 84 . . . 6178 1 909 . 1 1 84 84 ILE HB H 1 1.830 0.03 . 1 . . . . 84 . . . 6178 1 910 . 1 1 84 84 ILE CD1 C 13 14.480 0.75 . 1 . . . . 84 . . . 6178 1 911 . 1 1 84 84 ILE HD11 H 1 0.530 0.03 . 1 . . . . 84 . . . 6178 1 912 . 1 1 84 84 ILE HD12 H 1 0.530 0.03 . 1 . . . . 84 . . . 6178 1 913 . 1 1 84 84 ILE HD13 H 1 0.530 0.03 . 1 . . . . 84 . . . 6178 1 914 . 1 1 84 84 ILE CG2 C 13 18.200 0.75 . 1 . . . . 84 . . . 6178 1 915 . 1 1 84 84 ILE HG21 H 1 0.820 0.03 . 1 . . . . 84 . . . 6178 1 916 . 1 1 84 84 ILE HG22 H 1 0.820 0.03 . 1 . . . . 84 . . . 6178 1 917 . 1 1 84 84 ILE HG23 H 1 0.820 0.03 . 1 . . . . 84 . . . 6178 1 918 . 1 1 84 84 ILE C C 13 173.720 0.75 . 1 . . . . 84 . . . 6178 1 919 . 1 1 85 85 TYR N N 15 120.580 0.5 . 1 . . . . 85 . . . 6178 1 920 . 1 1 85 85 TYR H H 1 7.710 0.03 . 1 . . . . 85 . . . 6178 1 921 . 1 1 85 85 TYR CA C 13 56.160 0.75 . 1 . . . . 85 . . . 6178 1 922 . 1 1 85 85 TYR HA H 1 4.820 0.03 . 1 . . . . 85 . . . 6178 1 923 . 1 1 85 85 TYR CB C 13 40.600 0.75 . 1 . . . . 85 . . . 6178 1 924 . 1 1 85 85 TYR HB3 H 1 2.710 0.03 . 2 . . . . 85 . . . 6178 1 925 . 1 1 85 85 TYR HB2 H 1 2.540 0.03 . 2 . . . . 85 . . . 6178 1 926 . 1 1 85 85 TYR CD1 C 13 132.700 0.75 . 1 . . . . 85 . . . 6178 1 927 . 1 1 85 85 TYR HD1 H 1 6.900 0.03 . 1 . . . . 85 . . . 6178 1 928 . 1 1 85 85 TYR CE1 C 13 118.400 0.75 . 1 . . . . 85 . . . 6178 1 929 . 1 1 85 85 TYR HE1 H 1 6.720 0.03 . 1 . . . . 85 . . . 6178 1 930 . 1 1 85 85 TYR CE2 C 13 118.400 0.75 . 1 . . . . 85 . . . 6178 1 931 . 1 1 85 85 TYR HE2 H 1 6.720 0.03 . 1 . . . . 85 . . . 6178 1 932 . 1 1 85 85 TYR CD2 C 13 132.700 0.75 . 1 . . . . 85 . . . 6178 1 933 . 1 1 85 85 TYR HD2 H 1 6.900 0.03 . 1 . . . . 85 . . . 6178 1 934 . 1 1 85 85 TYR C C 13 174.240 0.75 . 1 . . . . 85 . . . 6178 1 935 . 1 1 86 86 ILE N N 15 126.420 0.5 . 1 . . . . 86 . . . 6178 1 936 . 1 1 86 86 ILE H H 1 8.310 0.03 . 1 . . . . 86 . . . 6178 1 937 . 1 1 86 86 ILE CA C 13 59.760 0.75 . 1 . . . . 86 . . . 6178 1 938 . 1 1 86 86 ILE HA H 1 4.600 0.03 . 1 . . . . 86 . . . 6178 1 939 . 1 1 86 86 ILE CB C 13 40.300 0.75 . 1 . . . . 86 . . . 6178 1 940 . 1 1 86 86 ILE HB H 1 1.470 0.03 . 1 . . . . 86 . . . 6178 1 941 . 1 1 86 86 ILE CG1 C 13 28.100 0.75 . 2 . . . . 86 . . . 6178 1 942 . 1 1 86 86 ILE HG13 H 1 1.200 0.03 . 1 . . . . 86 . . . 6178 1 943 . 1 1 86 86 ILE HG12 H 1 0.780 0.03 . 1 . . . . 86 . . . 6178 1 944 . 1 1 86 86 ILE CD1 C 13 14.270 0.75 . 1 . . . . 86 . . . 6178 1 945 . 1 1 86 86 ILE HD11 H 1 0.330 0.03 . 1 . . . . 86 . . . 6178 1 946 . 1 1 86 86 ILE HD12 H 1 0.330 0.03 . 1 . . . . 86 . . . 6178 1 947 . 1 1 86 86 ILE HD13 H 1 0.330 0.03 . 1 . . . . 86 . . . 6178 1 948 . 1 1 86 86 ILE CG2 C 13 17.450 0.75 . 1 . . . . 86 . . . 6178 1 949 . 1 1 86 86 ILE HG21 H 1 0.580 0.03 . 1 . . . . 86 . . . 6178 1 950 . 1 1 86 86 ILE HG22 H 1 0.580 0.03 . 1 . . . . 86 . . . 6178 1 951 . 1 1 86 86 ILE HG23 H 1 0.580 0.03 . 1 . . . . 86 . . . 6178 1 952 . 1 1 86 86 ILE C C 13 173.540 0.75 . 1 . . . . 86 . . . 6178 1 953 . 1 1 87 87 GLN N N 15 124.240 0.5 . 1 . . . . 87 . . . 6178 1 954 . 1 1 87 87 GLN H H 1 8.420 0.03 . 1 . . . . 87 . . . 6178 1 955 . 1 1 87 87 GLN CA C 13 53.550 0.75 . 1 . . . . 87 . . . 6178 1 956 . 1 1 87 87 GLN HA H 1 4.510 0.03 . 1 . . . . 87 . . . 6178 1 957 . 1 1 87 87 GLN CB C 13 32.860 0.75 . 1 . . . . 87 . . . 6178 1 958 . 1 1 87 87 GLN HB3 H 1 2.290 0.03 . 2 . . . . 87 . . . 6178 1 959 . 1 1 87 87 GLN HB2 H 1 2.050 0.03 . 2 . . . . 87 . . . 6178 1 960 . 1 1 87 87 GLN CG C 13 33.280 0.75 . 1 . . . . 87 . . . 6178 1 961 . 1 1 87 87 GLN HG3 H 1 2.350 0.03 . 2 . . . . 87 . . . 6178 1 962 . 1 1 87 87 GLN HG2 H 1 2.270 0.03 . 2 . . . . 87 . . . 6178 1 963 . 1 1 87 87 GLN C C 13 174.750 0.75 . 1 . . . . 87 . . . 6178 1 964 . 1 1 88 88 PHE N N 15 121.860 0.5 . 1 . . . . 88 . . . 6178 1 965 . 1 1 88 88 PHE H H 1 8.880 0.03 . 1 . . . . 88 . . . 6178 1 966 . 1 1 88 88 PHE CA C 13 60.140 0.75 . 1 . . . . 88 . . . 6178 1 967 . 1 1 88 88 PHE HA H 1 4.710 0.03 . 1 . . . . 88 . . . 6178 1 968 . 1 1 88 88 PHE CB C 13 39.450 0.75 . 1 . . . . 88 . . . 6178 1 969 . 1 1 88 88 PHE HB3 H 1 3.320 0.03 . 2 . . . . 88 . . . 6178 1 970 . 1 1 88 88 PHE HB2 H 1 2.840 0.03 . 2 . . . . 88 . . . 6178 1 971 . 1 1 88 88 PHE CD1 C 13 131.700 0.75 . 1 . . . . 88 . . . 6178 1 972 . 1 1 88 88 PHE HD1 H 1 7.400 0.03 . 1 . . . . 88 . . . 6178 1 973 . 1 1 88 88 PHE CE1 C 13 131.700 0.75 . 1 . . . . 88 . . . 6178 1 974 . 1 1 88 88 PHE HE1 H 1 7.300 0.03 . 1 . . . . 88 . . . 6178 1 975 . 1 1 88 88 PHE CZ C 13 130.150 0.75 . 1 . . . . 88 . . . 6178 1 976 . 1 1 88 88 PHE HZ H 1 7.320 0.03 . 1 . . . . 88 . . . 6178 1 977 . 1 1 88 88 PHE CE2 C 13 131.700 0.75 . 1 . . . . 88 . . . 6178 1 978 . 1 1 88 88 PHE HE2 H 1 7.300 0.03 . 1 . . . . 88 . . . 6178 1 979 . 1 1 88 88 PHE CD2 C 13 131.700 0.75 . 1 . . . . 88 . . . 6178 1 980 . 1 1 88 88 PHE HD2 H 1 7.400 0.03 . 1 . . . . 88 . . . 6178 1 981 . 1 1 88 88 PHE C C 13 177.200 0.75 . 1 . . . . 88 . . . 6178 1 982 . 1 1 89 89 SER N N 15 117.170 0.5 . 1 . . . . 89 . . . 6178 1 983 . 1 1 89 89 SER H H 1 8.820 0.03 . 1 . . . . 89 . . . 6178 1 984 . 1 1 89 89 SER CA C 13 56.700 0.75 . 1 . . . . 89 . . . 6178 1 985 . 1 1 89 89 SER HA H 1 4.730 0.03 . 1 . . . . 89 . . . 6178 1 986 . 1 1 89 89 SER CB C 13 64.050 0.75 . 1 . . . . 89 . . . 6178 1 987 . 1 1 89 89 SER HB3 H 1 3.930 0.03 . 2 . . . . 89 . . . 6178 1 988 . 1 1 89 89 SER HB2 H 1 3.830 0.03 . 2 . . . . 89 . . . 6178 1 989 . 1 1 89 89 SER C C 13 175.050 0.75 . 1 . . . . 89 . . . 6178 1 990 . 1 1 90 90 ASN N N 15 123.730 0.5 . 1 . . . . 90 . . . 6178 1 991 . 1 1 90 90 ASN H H 1 8.780 0.03 . 1 . . . . 90 . . . 6178 1 992 . 1 1 90 90 ASN CA C 13 53.250 0.75 . 1 . . . . 90 . . . 6178 1 993 . 1 1 90 90 ASN HA H 1 4.710 0.03 . 1 . . . . 90 . . . 6178 1 994 . 1 1 90 90 ASN CB C 13 38.070 0.75 . 1 . . . . 90 . . . 6178 1 995 . 1 1 90 90 ASN HB3 H 1 2.720 0.03 . 1 . . . . 90 . . . 6178 1 996 . 1 1 90 90 ASN HB2 H 1 2.720 0.03 . 1 . . . . 90 . . . 6178 1 997 . 1 1 90 90 ASN ND2 N 15 114.280 0.5 . 1 . . . . 90 . . . 6178 1 998 . 1 1 90 90 ASN HD21 H 1 6.860 0.03 . 2 . . . . 90 . . . 6178 1 999 . 1 1 90 90 ASN HD22 H 1 7.610 0.03 . 2 . . . . 90 . . . 6178 1 1000 . 1 1 90 90 ASN C C 13 175.260 0.75 . 1 . . . . 90 . . . 6178 1 1001 . 1 1 91 91 HIS N N 15 121.220 0.5 . 1 . . . . 91 . . . 6178 1 1002 . 1 1 91 91 HIS H H 1 8.310 0.03 . 1 . . . . 91 . . . 6178 1 1003 . 1 1 91 91 HIS CA C 13 56.010 0.75 . 1 . . . . 91 . . . 6178 1 1004 . 1 1 91 91 HIS HA H 1 4.500 0.03 . 1 . . . . 91 . . . 6178 1 1005 . 1 1 91 91 HIS CB C 13 30.340 0.75 . 1 . . . . 91 . . . 6178 1 1006 . 1 1 91 91 HIS HB3 H 1 3.030 0.03 . 2 . . . . 91 . . . 6178 1 1007 . 1 1 91 91 HIS HB2 H 1 2.810 0.03 . 2 . . . . 91 . . . 6178 1 1008 . 1 1 91 91 HIS CD2 C 13 119.700 0.75 . 1 . . . . 91 . . . 6178 1 1009 . 1 1 91 91 HIS HD2 H 1 6.760 0.03 . 1 . . . . 91 . . . 6178 1 1010 . 1 1 93 93 GLU N N 15 119.420 0.5 . 1 . . . . 93 . . . 6178 1 1011 . 1 1 93 93 GLU H H 1 7.920 0.03 . 1 . . . . 93 . . . 6178 1 1012 . 1 1 93 93 GLU CA C 13 55.090 0.75 . 1 . . . . 93 . . . 6178 1 1013 . 1 1 93 93 GLU HA H 1 4.210 0.03 . 1 . . . . 93 . . . 6178 1 1014 . 1 1 93 93 GLU CB C 13 30.570 0.75 . 1 . . . . 93 . . . 6178 1 1015 . 1 1 93 93 GLU HB3 H 1 1.910 0.03 . 2 . . . . 93 . . . 6178 1 1016 . 1 1 93 93 GLU HB2 H 1 1.800 0.03 . 2 . . . . 93 . . . 6178 1 1017 . 1 1 93 93 GLU CG C 13 35.750 0.75 . 1 . . . . 93 . . . 6178 1 1018 . 1 1 93 93 GLU HG3 H 1 2.090 0.03 . 1 . . . . 93 . . . 6178 1 1019 . 1 1 93 93 GLU HG2 H 1 2.090 0.03 . 1 . . . . 93 . . . 6178 1 1020 . 1 1 93 93 GLU C C 13 175.310 0.75 . 1 . . . . 93 . . . 6178 1 1021 . 1 1 94 94 LEU N N 15 124.500 0.5 . 1 . . . . 94 . . . 6178 1 1022 . 1 1 94 94 LEU H H 1 8.430 0.03 . 1 . . . . 94 . . . 6178 1 1023 . 1 1 94 94 LEU CA C 13 54.010 0.75 . 1 . . . . 94 . . . 6178 1 1024 . 1 1 94 94 LEU HA H 1 4.170 0.03 . 1 . . . . 94 . . . 6178 1 1025 . 1 1 94 94 LEU CB C 13 41.750 0.75 . 1 . . . . 94 . . . 6178 1 1026 . 1 1 94 94 LEU HB3 H 1 1.390 0.03 . 1 . . . . 94 . . . 6178 1 1027 . 1 1 94 94 LEU HB2 H 1 1.390 0.03 . 1 . . . . 94 . . . 6178 1 1028 . 1 1 94 94 LEU CG C 13 26.930 0.75 . 1 . . . . 94 . . . 6178 1 1029 . 1 1 94 94 LEU HG H 1 1.380 0.03 . 1 . . . . 94 . . . 6178 1 1030 . 1 1 94 94 LEU CD1 C 13 23.840 0.75 . 1 . . . . 94 . . . 6178 1 1031 . 1 1 94 94 LEU HD11 H 1 0.540 0.03 . 2 . . . . 94 . . . 6178 1 1032 . 1 1 94 94 LEU HD12 H 1 0.540 0.03 . 2 . . . . 94 . . . 6178 1 1033 . 1 1 94 94 LEU HD13 H 1 0.540 0.03 . 2 . . . . 94 . . . 6178 1 1034 . 1 1 94 94 LEU CD2 C 13 25.100 0.75 . 1 . . . . 94 . . . 6178 1 1035 . 1 1 94 94 LEU HD21 H 1 0.620 0.03 . 2 . . . . 94 . . . 6178 1 1036 . 1 1 94 94 LEU HD22 H 1 0.620 0.03 . 2 . . . . 94 . . . 6178 1 1037 . 1 1 94 94 LEU HD23 H 1 0.620 0.03 . 2 . . . . 94 . . . 6178 1 1038 . 1 1 94 94 LEU C C 13 176.160 0.75 . 1 . . . . 94 . . . 6178 1 1039 . 1 1 95 95 LYS N N 15 124.500 0.5 . 1 . . . . 95 . . . 6178 1 1040 . 1 1 95 95 LYS H H 1 8.100 0.03 . 1 . . . . 95 . . . 6178 1 1041 . 1 1 95 95 LYS CA C 13 55.240 0.75 . 1 . . . . 95 . . . 6178 1 1042 . 1 1 95 95 LYS HA H 1 4.350 0.03 . 1 . . . . 95 . . . 6178 1 1043 . 1 1 95 95 LYS CB C 13 32.560 0.75 . 1 . . . . 95 . . . 6178 1 1044 . 1 1 95 95 LYS HB3 H 1 1.700 0.03 . 1 . . . . 95 . . . 6178 1 1045 . 1 1 95 95 LYS HB2 H 1 1.700 0.03 . 1 . . . . 95 . . . 6178 1 1046 . 1 1 95 95 LYS CG C 13 24.880 0.75 . 1 . . . . 95 . . . 6178 1 1047 . 1 1 95 95 LYS HG3 H 1 1.310 0.03 . 1 . . . . 95 . . . 6178 1 1048 . 1 1 95 95 LYS HG2 H 1 1.310 0.03 . 1 . . . . 95 . . . 6178 1 1049 . 1 1 95 95 LYS CD C 13 28.700 0.75 . 1 . . . . 95 . . . 6178 1 1050 . 1 1 95 95 LYS HD3 H 1 1.600 0.03 . 1 . . . . 95 . . . 6178 1 1051 . 1 1 95 95 LYS HD2 H 1 1.600 0.03 . 1 . . . . 95 . . . 6178 1 1052 . 1 1 95 95 LYS CE C 13 41.730 0.75 . 1 . . . . 95 . . . 6178 1 1053 . 1 1 95 95 LYS HE3 H 1 2.910 0.03 . 1 . . . . 95 . . . 6178 1 1054 . 1 1 95 95 LYS HE2 H 1 2.910 0.03 . 1 . . . . 95 . . . 6178 1 1055 . 1 1 95 95 LYS C C 13 176.330 0.75 . 1 . . . . 95 . . . 6178 1 1056 . 1 1 96 96 THR N N 15 117.240 0.5 . 1 . . . . 96 . . . 6178 1 1057 . 1 1 96 96 THR H H 1 8.200 0.03 . 1 . . . . 96 . . . 6178 1 1058 . 1 1 96 96 THR CA C 13 60.910 0.75 . 1 . . . . 96 . . . 6178 1 1059 . 1 1 96 96 THR HA H 1 4.300 0.03 . 1 . . . . 96 . . . 6178 1 1060 . 1 1 96 96 THR CB C 13 69.030 0.75 . 1 . . . . 96 . . . 6178 1 1061 . 1 1 96 96 THR HB H 1 4.210 0.03 . 1 . . . . 96 . . . 6178 1 1062 . 1 1 96 96 THR CG2 C 13 21.640 0.75 . 1 . . . . 96 . . . 6178 1 1063 . 1 1 96 96 THR HG21 H 1 1.100 0.03 . 1 . . . . 96 . . . 6178 1 1064 . 1 1 96 96 THR HG22 H 1 1.100 0.03 . 1 . . . . 96 . . . 6178 1 1065 . 1 1 96 96 THR HG23 H 1 1.100 0.03 . 1 . . . . 96 . . . 6178 1 1066 . 1 1 96 96 THR C C 13 174.250 0.75 . 1 . . . . 96 . . . 6178 1 1067 . 1 1 97 97 ASP N N 15 124.430 0.5 . 1 . . . . 97 . . . 6178 1 1068 . 1 1 97 97 ASP H H 1 8.360 0.03 . 1 . . . . 97 . . . 6178 1 1069 . 1 1 97 97 ASP CA C 13 53.710 0.75 . 1 . . . . 97 . . . 6178 1 1070 . 1 1 97 97 ASP HA H 1 4.630 0.03 . 1 . . . . 97 . . . 6178 1 1071 . 1 1 97 97 ASP CB C 13 40.680 0.75 . 1 . . . . 97 . . . 6178 1 1072 . 1 1 97 97 ASP HB3 H 1 2.680 0.03 . 2 . . . . 97 . . . 6178 1 1073 . 1 1 97 97 ASP HB2 H 1 2.620 0.03 . 2 . . . . 97 . . . 6178 1 1074 . 1 1 97 97 ASP C C 13 176.040 0.75 . 1 . . . . 97 . . . 6178 1 1075 . 1 1 98 98 SER N N 15 117.950 0.5 . 1 . . . . 98 . . . 6178 1 1076 . 1 1 98 98 SER H H 1 8.210 0.03 . 1 . . . . 98 . . . 6178 1 1077 . 1 1 98 98 SER CA C 13 57.690 0.75 . 1 . . . . 98 . . . 6178 1 1078 . 1 1 98 98 SER HA H 1 4.450 0.03 . 1 . . . . 98 . . . 6178 1 1079 . 1 1 98 98 SER CB C 13 63.210 0.75 . 1 . . . . 98 . . . 6178 1 1080 . 1 1 98 98 SER HB3 H 1 3.830 0.03 . 1 . . . . 98 . . . 6178 1 1081 . 1 1 98 98 SER HB2 H 1 3.830 0.03 . 1 . . . . 98 . . . 6178 1 1082 . 1 1 98 98 SER C C 13 174.240 0.75 . 1 . . . . 98 . . . 6178 1 1083 . 1 1 99 99 SER N N 15 121.220 0.5 . 1 . . . . 99 . . . 6178 1 1084 . 1 1 99 99 SER H H 1 8.310 0.03 . 1 . . . . 99 . . . 6178 1 1085 . 1 1 99 99 SER CA C 13 56.240 0.75 . 1 . . . . 99 . . . 6178 1 1086 . 1 1 99 99 SER HA H 1 4.710 0.03 . 1 . . . . 99 . . . 6178 1 1087 . 1 1 99 99 SER CB C 13 62.830 0.75 . 1 . . . . 99 . . . 6178 1 1088 . 1 1 99 99 SER HB3 H 1 3.850 0.03 . 1 . . . . 99 . . . 6178 1 1089 . 1 1 99 99 SER HB2 H 1 3.850 0.03 . 1 . . . . 99 . . . 6178 1 1090 . 1 1 99 99 SER C C 13 175.300 0.75 . 1 . . . . 99 . . . 6178 1 1091 . 1 1 100 100 PRO CA C 13 62.830 0.75 . 1 . . . . 100 . . . 6178 1 1092 . 1 1 100 100 PRO HA H 1 4.410 0.03 . 1 . . . . 100 . . . 6178 1 1093 . 1 1 100 100 PRO CB C 13 31.480 0.75 . 1 . . . . 100 . . . 6178 1 1094 . 1 1 100 100 PRO HB3 H 1 2.250 0.03 . 2 . . . . 100 . . . 6178 1 1095 . 1 1 100 100 PRO HB2 H 1 1.890 0.03 . 2 . . . . 100 . . . 6178 1 1096 . 1 1 100 100 PRO CG C 13 27.220 0.75 . 1 . . . . 100 . . . 6178 1 1097 . 1 1 100 100 PRO HG3 H 1 1.960 0.03 . 1 . . . . 100 . . . 6178 1 1098 . 1 1 100 100 PRO HG2 H 1 1.960 0.03 . 1 . . . . 100 . . . 6178 1 1099 . 1 1 100 100 PRO CD C 13 50.280 0.75 . 1 . . . . 100 . . . 6178 1 1100 . 1 1 100 100 PRO HD3 H 1 3.920 0.03 . 2 . . . . 100 . . . 6178 1 1101 . 1 1 100 100 PRO HD2 H 1 3.680 0.03 . 2 . . . . 100 . . . 6178 1 1102 . 1 1 100 100 PRO C C 13 176.790 0.75 . 1 . . . . 100 . . . 6178 1 1103 . 1 1 101 101 ASN N N 15 120.000 0.5 . 1 . . . . 101 . . . 6178 1 1104 . 1 1 101 101 ASN H H 1 8.390 0.03 . 1 . . . . 101 . . . 6178 1 1105 . 1 1 101 101 ASN CA C 13 52.940 0.75 . 1 . . . . 101 . . . 6178 1 1106 . 1 1 101 101 ASN HA H 1 4.630 0.03 . 1 . . . . 101 . . . 6178 1 1107 . 1 1 101 101 ASN CB C 13 38.000 0.75 . 1 . . . . 101 . . . 6178 1 1108 . 1 1 101 101 ASN HB3 H 1 2.800 0.03 . 2 . . . . 101 . . . 6178 1 1109 . 1 1 101 101 ASN HB2 H 1 2.730 0.03 . 2 . . . . 101 . . . 6178 1 1110 . 1 1 101 101 ASN ND2 N 15 114.860 0.5 . 1 . . . . 101 . . . 6178 1 1111 . 1 1 101 101 ASN HD21 H 1 6.930 0.03 . 2 . . . . 101 . . . 6178 1 1112 . 1 1 101 101 ASN HD22 H 1 7.600 0.03 . 2 . . . . 101 . . . 6178 1 1113 . 1 1 101 101 ASN C C 13 175.140 0.75 . 1 . . . . 101 . . . 6178 1 1114 . 1 1 102 102 GLN N N 15 122.510 0.5 . 1 . . . . 102 . . . 6178 1 1115 . 1 1 102 102 GLN H H 1 8.190 0.03 . 1 . . . . 102 . . . 6178 1 1116 . 1 1 102 102 GLN CA C 13 55.470 0.75 . 1 . . . . 102 . . . 6178 1 1117 . 1 1 102 102 GLN HA H 1 4.270 0.03 . 1 . . . . 102 . . . 6178 1 1118 . 1 1 102 102 GLN CB C 13 29.030 0.75 . 1 . . . . 102 . . . 6178 1 1119 . 1 1 102 102 GLN HB3 H 1 2.080 0.03 . 2 . . . . 102 . . . 6178 1 1120 . 1 1 102 102 GLN HB2 H 1 1.950 0.03 . 2 . . . . 102 . . . 6178 1 1121 . 1 1 102 102 GLN CG C 13 33.740 0.75 . 1 . . . . 102 . . . 6178 1 1122 . 1 1 102 102 GLN HG3 H 1 2.320 0.03 . 1 . . . . 102 . . . 6178 1 1123 . 1 1 102 102 GLN HG2 H 1 2.320 0.03 . 1 . . . . 102 . . . 6178 1 1124 . 1 1 102 102 GLN NE2 N 15 114.280 0.5 . 1 . . . . 102 . . . 6178 1 1125 . 1 1 102 102 GLN HE21 H 1 6.860 0.03 . 2 . . . . 102 . . . 6178 1 1126 . 1 1 102 102 GLN HE22 H 1 7.530 0.03 . 2 . . . . 102 . . . 6178 1 1127 . 1 1 102 102 GLN C C 13 175.450 0.75 . 1 . . . . 102 . . . 6178 1 1128 . 1 1 103 103 ALA N N 15 127.130 0.5 . 1 . . . . 103 . . . 6178 1 1129 . 1 1 103 103 ALA H H 1 8.270 0.03 . 1 . . . . 103 . . . 6178 1 1130 . 1 1 103 103 ALA CA C 13 52.020 0.75 . 1 . . . . 103 . . . 6178 1 1131 . 1 1 103 103 ALA HA H 1 4.280 0.03 . 1 . . . . 103 . . . 6178 1 1132 . 1 1 103 103 ALA CB C 13 18.990 0.75 . 1 . . . . 103 . . . 6178 1 1133 . 1 1 103 103 ALA HB1 H 1 1.360 0.03 . 1 . . . . 103 . . . 6178 1 1134 . 1 1 103 103 ALA HB2 H 1 1.360 0.03 . 1 . . . . 103 . . . 6178 1 1135 . 1 1 103 103 ALA HB3 H 1 1.360 0.03 . 1 . . . . 103 . . . 6178 1 1136 . 1 1 103 103 ALA C C 13 177.420 0.75 . 1 . . . . 103 . . . 6178 1 1137 . 1 1 104 104 ARG N N 15 122.760 0.5 . 1 . . . . 104 . . . 6178 1 1138 . 1 1 104 104 ARG H H 1 8.220 0.03 . 1 . . . . 104 . . . 6178 1 1139 . 1 1 104 104 ARG CA C 13 55.390 0.75 . 1 . . . . 104 . . . 6178 1 1140 . 1 1 104 104 ARG HA H 1 4.310 0.03 . 1 . . . . 104 . . . 6178 1 1141 . 1 1 104 104 ARG CB C 13 30.490 0.75 . 1 . . . . 104 . . . 6178 1 1142 . 1 1 104 104 ARG HB3 H 1 1.850 0.03 . 2 . . . . 104 . . . 6178 1 1143 . 1 1 104 104 ARG HB2 H 1 1.740 0.03 . 2 . . . . 104 . . . 6178 1 1144 . 1 1 104 104 ARG CG C 13 27.050 0.75 . 1 . . . . 104 . . . 6178 1 1145 . 1 1 104 104 ARG HG3 H 1 1.620 0.03 . 1 . . . . 104 . . . 6178 1 1146 . 1 1 104 104 ARG HG2 H 1 1.620 0.03 . 1 . . . . 104 . . . 6178 1 1147 . 1 1 104 104 ARG CD C 13 42.940 0.75 . 1 . . . . 104 . . . 6178 1 1148 . 1 1 104 104 ARG HD3 H 1 3.170 0.03 . 1 . . . . 104 . . . 6178 1 1149 . 1 1 104 104 ARG HD2 H 1 3.170 0.03 . 1 . . . . 104 . . . 6178 1 1150 . 1 1 104 104 ARG C C 13 174.920 0.75 . 1 . . . . 104 . . . 6178 1 1151 . 1 1 105 105 ALA N N 15 132.980 0.5 . 1 . . . . 105 . . . 6178 1 1152 . 1 1 105 105 ALA H H 1 7.940 0.03 . 1 . . . . 105 . . . 6178 1 1153 . 1 1 105 105 ALA CA C 13 53.250 0.75 . 1 . . . . 105 . . . 6178 1 1154 . 1 1 105 105 ALA HA H 1 4.090 0.03 . 1 . . . . 105 . . . 6178 1 1155 . 1 1 105 105 ALA CB C 13 19.990 0.75 . 1 . . . . 105 . . . 6178 1 1156 . 1 1 105 105 ALA HB1 H 1 1.290 0.03 . 1 . . . . 105 . . . 6178 1 1157 . 1 1 105 105 ALA HB2 H 1 1.290 0.03 . 1 . . . . 105 . . . 6178 1 1158 . 1 1 105 105 ALA HB3 H 1 1.290 0.03 . 1 . . . . 105 . . . 6178 1 1159 . 1 1 105 105 ALA C C 13 182.300 0.75 . 1 . . . . 105 . . . 6178 1 stop_ save_