data_6292 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6292 _Entry.Title ; 1H, 15N and 13C sidechain and backbone assignments of the alkaline proteinase inhibitor APRin from Pseudomonas aeruginosa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-08-20 _Entry.Accession_date 2004-08-23 _Entry.Last_release_date . _Entry.Original_release_date . _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 Sengodagounder Arumugam . . . 6292 2 Robert Gray . D. . 6292 3 Andrew Lane . N. . 6292 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6292 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 613 6292 '13C chemical shifts' 410 6292 '15N chemical shifts' 100 6292 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 . . 2008-07-01 . update BMRB 'update entry citation' 6292 2 . . 2008-02-27 . original author 'original release' 6292 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6292 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15803404 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N and 13C assignments of the alkaline proteinase inhibitor APRin from Pseudomonas aeruginosa ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 3 _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 265 _Citation.Page_last 266 _Citation.Year 2005 _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 Sengodagounder Arumugam . . . 6292 1 2 Robert Gray . D. . 6292 1 3 Andrew Lane . N. . 6292 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_APRin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_APRin _Assembly.Entry_ID 6292 _Assembly.ID 1 _Assembly.Name 'Alkaline protease inhibitor' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _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 6292 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 APRin 1 $APRin . . . native . . . . . 6292 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 26 26 SG . 1 . 1 CYS 49 49 SG . . . . . . . . . . 6292 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 yes PDB 1JIW . . . . . ; In this, we report only the backbone assignments of the protease inhibitor whereas 1JIW represent the structure of the protease/inhibitor complex. ; 6292 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Alkaline protease inhibitor' system 6292 1 APRin abbreviation 6292 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'protease inhibitor' 6292 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_APRin _Entity.Sf_category entity _Entity.Sf_framecode APRin _Entity.Entry_ID 6292 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Alkaline protease inhibitor' _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 ; SSLILLSASDLAGQWTLQQD EAPAICHLELRDSEVAEASG YDLGGDTACLTRWLPSEPRA WRPTPAGIALLERGGLTLML LGRQGEGDYRVQKGDGGQLV LRRATP ; _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1JIW . "Crystal Structure Of The Apr-Aprin Complex" . . . . . 100.00 106 100.00 100.00 6.57e-67 . . . . 6292 1 2 no PDB 2RN4 . "Solution Structure Of The Alkaline Proteinase Inhibitor Aprin From Pseudomonas Aeruginosa" . . . . . 100.00 106 100.00 100.00 6.57e-67 . . . . 6292 1 3 no DBJ BAK88991 . "alkaline proteinase inhibitor [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 100.00 108 100.00 100.00 4.37e-67 . . . . 6292 1 4 no DBJ BAP20448 . "alkaline proteinase inhibitor [Pseudomonas aeruginosa]" . . . . . 100.00 108 100.00 100.00 4.37e-67 . . . . 6292 1 5 no DBJ BAP52029 . "alkaline proteinase inhibitor [Pseudomonas aeruginosa]" . . . . . 100.00 108 100.00 100.00 4.37e-67 . . . . 6292 1 6 no DBJ GAA16794 . "alkaline proteinase inhibitor AprI [Pseudomonas aeruginosa NCMG1179]" . . . . . 100.00 108 100.00 100.00 4.37e-67 . . . . 6292 1 7 no DBJ GAJ52350 . "alkaline proteinase inhibitor precursor [Pseudomonas aeruginosa RB]" . . . . . 100.00 108 100.00 100.00 4.37e-67 . . . . 6292 1 8 no EMBL CAA45859 . "Inhibitor [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 131 100.00 100.00 1.03e-67 . . . . 6292 1 9 no EMBL CAW28816 . "alkaline proteinase inhibitor AprI [Pseudomonas aeruginosa LESB58]" . . . . . 100.00 131 100.00 100.00 1.03e-67 . . . . 6292 1 10 no EMBL CCQ85472 . "Alkaline proteinase inhibitor precursor [Pseudomonas aeruginosa 18A]" . . . . . 100.00 108 100.00 100.00 4.37e-67 . . . . 6292 1 11 no EMBL CDH72198 . "Proteinase inhibitor [Pseudomonas aeruginosa MH38]" . . . . . 100.00 131 100.00 100.00 1.03e-67 . . . . 6292 1 12 no EMBL CDH78463 . "Proteinase inhibitor [Pseudomonas aeruginosa MH27]" . . . . . 100.00 131 100.00 100.00 1.39e-67 . . . . 6292 1 13 no GB AAG04639 . "alkaline proteinase inhibitor AprI [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 131 100.00 100.00 1.03e-67 . . . . 6292 1 14 no GB AAT49619 . "PA1250, partial [synthetic construct]" . . . . . 100.00 132 100.00 100.00 1.35e-67 . . . . 6292 1 15 no GB ABJ10438 . "alkaline proteinase inhibitor AprI [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 100.00 131 100.00 100.00 1.03e-67 . . . . 6292 1 16 no GB AEO76262 . "alkaline proteinase inhibitor AprI [Pseudomonas aeruginosa M18]" . . . . . 100.00 131 100.00 100.00 1.03e-67 . . . . 6292 1 17 no GB AFM66153 . "alkaline proteinase inhibitor AprI [Pseudomonas aeruginosa DK2]" . . . . . 100.00 108 99.06 99.06 2.24e-66 . . . . 6292 1 18 no REF NP_249941 . "alkaline proteinase inhibitor AprI [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 131 100.00 100.00 1.03e-67 . . . . 6292 1 19 no REF WP_003082543 . "MULTISPECIES: proteinase inhibitor [Pseudomonas]" . . . . . 100.00 131 100.00 100.00 1.03e-67 . . . . 6292 1 20 no REF WP_003086733 . "proteinase inhibitor [Pseudomonas aeruginosa]" . . . . . 100.00 131 100.00 100.00 1.39e-67 . . . . 6292 1 21 no REF WP_003114968 . "proteinase inhibitor [Pseudomonas aeruginosa]" . . . . . 100.00 108 100.00 100.00 4.37e-67 . . . . 6292 1 22 no REF WP_003116378 . "proteinase inhibitor [Pseudomonas aeruginosa]" . . . . . 100.00 108 99.06 99.06 2.24e-66 . . . . 6292 1 23 no SP Q03026 . "RecName: Full=Proteinase inhibitor; AltName: Full=Aprin; Flags: Precursor [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 131 100.00 100.00 1.03e-67 . . . . 6292 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Alkaline protease inhibitor' common 6292 1 APRin abbreviation 6292 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 . SER . 6292 1 2 . SER . 6292 1 3 . LEU . 6292 1 4 . ILE . 6292 1 5 . LEU . 6292 1 6 . LEU . 6292 1 7 . SER . 6292 1 8 . ALA . 6292 1 9 . SER . 6292 1 10 . ASP . 6292 1 11 . LEU . 6292 1 12 . ALA . 6292 1 13 . GLY . 6292 1 14 . GLN . 6292 1 15 . TRP . 6292 1 16 . THR . 6292 1 17 . LEU . 6292 1 18 . GLN . 6292 1 19 . GLN . 6292 1 20 . ASP . 6292 1 21 . GLU . 6292 1 22 . ALA . 6292 1 23 . PRO . 6292 1 24 . ALA . 6292 1 25 . ILE . 6292 1 26 . CYS . 6292 1 27 . HIS . 6292 1 28 . LEU . 6292 1 29 . GLU . 6292 1 30 . LEU . 6292 1 31 . ARG . 6292 1 32 . ASP . 6292 1 33 . SER . 6292 1 34 . GLU . 6292 1 35 . VAL . 6292 1 36 . ALA . 6292 1 37 . GLU . 6292 1 38 . ALA . 6292 1 39 . SER . 6292 1 40 . GLY . 6292 1 41 . TYR . 6292 1 42 . ASP . 6292 1 43 . LEU . 6292 1 44 . GLY . 6292 1 45 . GLY . 6292 1 46 . ASP . 6292 1 47 . THR . 6292 1 48 . ALA . 6292 1 49 . CYS . 6292 1 50 . LEU . 6292 1 51 . THR . 6292 1 52 . ARG . 6292 1 53 . TRP . 6292 1 54 . LEU . 6292 1 55 . PRO . 6292 1 56 . SER . 6292 1 57 . GLU . 6292 1 58 . PRO . 6292 1 59 . ARG . 6292 1 60 . ALA . 6292 1 61 . TRP . 6292 1 62 . ARG . 6292 1 63 . PRO . 6292 1 64 . THR . 6292 1 65 . PRO . 6292 1 66 . ALA . 6292 1 67 . GLY . 6292 1 68 . ILE . 6292 1 69 . ALA . 6292 1 70 . LEU . 6292 1 71 . LEU . 6292 1 72 . GLU . 6292 1 73 . ARG . 6292 1 74 . GLY . 6292 1 75 . GLY . 6292 1 76 . LEU . 6292 1 77 . THR . 6292 1 78 . LEU . 6292 1 79 . MET . 6292 1 80 . LEU . 6292 1 81 . LEU . 6292 1 82 . GLY . 6292 1 83 . ARG . 6292 1 84 . GLN . 6292 1 85 . GLY . 6292 1 86 . GLU . 6292 1 87 . GLY . 6292 1 88 . ASP . 6292 1 89 . TYR . 6292 1 90 . ARG . 6292 1 91 . VAL . 6292 1 92 . GLN . 6292 1 93 . LYS . 6292 1 94 . GLY . 6292 1 95 . ASP . 6292 1 96 . GLY . 6292 1 97 . GLY . 6292 1 98 . GLN . 6292 1 99 . LEU . 6292 1 100 . VAL . 6292 1 101 . LEU . 6292 1 102 . ARG . 6292 1 103 . ARG . 6292 1 104 . ALA . 6292 1 105 . THR . 6292 1 106 . PRO . 6292 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 . SER 1 1 6292 1 . SER 2 2 6292 1 . LEU 3 3 6292 1 . ILE 4 4 6292 1 . LEU 5 5 6292 1 . LEU 6 6 6292 1 . SER 7 7 6292 1 . ALA 8 8 6292 1 . SER 9 9 6292 1 . ASP 10 10 6292 1 . LEU 11 11 6292 1 . ALA 12 12 6292 1 . GLY 13 13 6292 1 . GLN 14 14 6292 1 . TRP 15 15 6292 1 . THR 16 16 6292 1 . LEU 17 17 6292 1 . GLN 18 18 6292 1 . GLN 19 19 6292 1 . ASP 20 20 6292 1 . GLU 21 21 6292 1 . ALA 22 22 6292 1 . PRO 23 23 6292 1 . ALA 24 24 6292 1 . ILE 25 25 6292 1 . CYS 26 26 6292 1 . HIS 27 27 6292 1 . LEU 28 28 6292 1 . GLU 29 29 6292 1 . LEU 30 30 6292 1 . ARG 31 31 6292 1 . ASP 32 32 6292 1 . SER 33 33 6292 1 . GLU 34 34 6292 1 . VAL 35 35 6292 1 . ALA 36 36 6292 1 . GLU 37 37 6292 1 . ALA 38 38 6292 1 . SER 39 39 6292 1 . GLY 40 40 6292 1 . TYR 41 41 6292 1 . ASP 42 42 6292 1 . LEU 43 43 6292 1 . GLY 44 44 6292 1 . GLY 45 45 6292 1 . ASP 46 46 6292 1 . THR 47 47 6292 1 . ALA 48 48 6292 1 . CYS 49 49 6292 1 . LEU 50 50 6292 1 . THR 51 51 6292 1 . ARG 52 52 6292 1 . TRP 53 53 6292 1 . LEU 54 54 6292 1 . PRO 55 55 6292 1 . SER 56 56 6292 1 . GLU 57 57 6292 1 . PRO 58 58 6292 1 . ARG 59 59 6292 1 . ALA 60 60 6292 1 . TRP 61 61 6292 1 . ARG 62 62 6292 1 . PRO 63 63 6292 1 . THR 64 64 6292 1 . PRO 65 65 6292 1 . ALA 66 66 6292 1 . GLY 67 67 6292 1 . ILE 68 68 6292 1 . ALA 69 69 6292 1 . LEU 70 70 6292 1 . LEU 71 71 6292 1 . GLU 72 72 6292 1 . ARG 73 73 6292 1 . GLY 74 74 6292 1 . GLY 75 75 6292 1 . LEU 76 76 6292 1 . THR 77 77 6292 1 . LEU 78 78 6292 1 . MET 79 79 6292 1 . LEU 80 80 6292 1 . LEU 81 81 6292 1 . GLY 82 82 6292 1 . ARG 83 83 6292 1 . GLN 84 84 6292 1 . GLY 85 85 6292 1 . GLU 86 86 6292 1 . GLY 87 87 6292 1 . ASP 88 88 6292 1 . TYR 89 89 6292 1 . ARG 90 90 6292 1 . VAL 91 91 6292 1 . GLN 92 92 6292 1 . LYS 93 93 6292 1 . GLY 94 94 6292 1 . ASP 95 95 6292 1 . GLY 96 96 6292 1 . GLY 97 97 6292 1 . GLN 98 98 6292 1 . LEU 99 99 6292 1 . VAL 100 100 6292 1 . LEU 101 101 6292 1 . ARG 102 102 6292 1 . ARG 103 103 6292 1 . ALA 104 104 6292 1 . THR 105 105 6292 1 . PRO 106 106 6292 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 6292 _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 $APRin . 287 . . 'Pseudomonas aeruginosa' 'pseudomonas aeruginosa' . . Eubacteria . Pseudomonas aeruginosa pa01 . . . . . . . . . . . . . . . . . . . . 6292 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 6292 _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 $APRin . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET22b+ . . . . . . 6292 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6292 _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 'Alkaline protease inhibitor' '[U-90% 15N]' . . 1 $APRin . . 0.8 . . mM . . . . 6292 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 6292 1 3 'potassium chloride' . . . . . . . 100 . . mM . . . . 6292 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6292 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Alkaline protease inhibitor' '[U-95% 13C; U-90% 15N]' . . 1 $APRin . . 1.7 . . mM . . . . 6292 2 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 6292 2 3 'potassium chloride' . . . . . . . 100 . . mM . . . . 6292 2 stop_ save_ ####################### # Sample conditions # ####################### save_Condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Condition_1 _Sample_condition_list.Entry_ID 6292 _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 0.1 pH 6292 1 temperature 298 0.5 K 6292 1 'ionic strength' 0.12 0.02 M 6292 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6292 _Software.ID 1 _Software.Name NMRPipe _Software.Version '2.3 Rev 2004.148.12.51' _Software.Details ; F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax: NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR. 6, 277-293 (1995). ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data processing' 6292 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6292 _Software.ID 2 _Software.Name Sparky _Software.Version 3.106 _Software.Details ; T. D. Goddard and D. G. Kneller, SPARKY 3, University of California, San Francisco. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 6292 2 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 6292 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6292 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6292 _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 Varian INOVA . 600 . . . 6292 1 2 NMR_spectrometer_2 Varian INOVA . 800 . . . 6292 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 6292 _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 '15N/1H 2D HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6292 1 2 '3D TOCSY-HSQC (15N/1H)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6292 1 3 '3D NOESY-HSQC (15N/1H)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6292 1 4 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6292 1 5 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6292 1 6 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6292 1 7 HCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6292 1 8 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6292 1 9 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6292 1 10 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6292 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6292 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N/1H 2D HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Inverse triple resonance cold probe was used at 14.1 T.' save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6292 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D TOCSY-HSQC (15N/1H)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Inverse triple resonance cold probe was used at 14.1 T.' save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6292 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D NOESY-HSQC (15N/1H)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Inverse triple resonance cold probe was used at 14.1 T.' save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6292 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Inverse triple resonance cold probe was used at 14.1 T.' save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6292 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Inverse triple resonance cold probe was used at 14.1 T.' save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6292 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Inverse triple resonance cold probe was used at 14.1 T.' save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6292 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Inverse triple resonance cold probe was used at 14.1 T.' save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6292 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Inverse triple resonance cold probe was used at 14.1 T.' save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6292 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Inverse triple resonance cold probe was used at 14.1 T.' save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6292 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Inverse triple resonance cold probe was used at 14.1 T.' 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 6292 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 . direct 1.000000000 . . . . . . . . . 6292 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6292 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6292 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6292 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '15N/1H 2D HSQC' . . . 6292 1 2 '3D TOCSY-HSQC (15N/1H)' . . . 6292 1 3 '3D NOESY-HSQC (15N/1H)' . . . 6292 1 4 HNCA . . . 6292 1 5 HN(CO)CA . . . 6292 1 6 HNCO . . . 6292 1 7 HCACO . . . 6292 1 8 CBCA(CO)NH . . . 6292 1 9 C(CO)NH . . . 6292 1 10 HNHA . . . 6292 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 2 2 SER HA H 1 4.61 0.01 . 1 . . . . . . . . 6292 1 2 . 1 1 2 2 SER HB2 H 1 3.95 0.01 . 2 . . . . . . . . 6292 1 3 . 1 1 2 2 SER HB3 H 1 3.92 0.01 . 2 . . . . . . . . 6292 1 4 . 1 1 2 2 SER C C 13 174.0 0.1 . 1 . . . . . . . . 6292 1 5 . 1 1 2 2 SER CA C 13 58.32 0.05 . 1 . . . . . . . . 6292 1 6 . 1 1 2 2 SER CB C 13 63.82 0.05 . 1 . . . . . . . . 6292 1 7 . 1 1 3 3 LEU H H 1 8.35 0.01 . 1 . . . . . . . . 6292 1 8 . 1 1 3 3 LEU HA H 1 4.87 0.01 . 1 . . . . . . . . 6292 1 9 . 1 1 3 3 LEU C C 13 176.7 0.1 . 1 . . . . . . . . 6292 1 10 . 1 1 3 3 LEU CA C 13 55.20 0.05 . 1 . . . . . . . . 6292 1 11 . 1 1 3 3 LEU CB C 13 42.46 0.05 . 1 . . . . . . . . 6292 1 12 . 1 1 3 3 LEU CG C 13 27.27 0.05 . 1 . . . . . . . . 6292 1 13 . 1 1 3 3 LEU CD1 C 13 24.95 0.05 . 2 . . . . . . . . 6292 1 14 . 1 1 3 3 LEU CD2 C 13 23.57 0.05 . 2 . . . . . . . . 6292 1 15 . 1 1 3 3 LEU N N 15 124.40 0.1 . 1 . . . . . . . . 6292 1 16 . 1 1 4 4 ILE H H 1 8.14 0.01 . 1 . . . . . . . . 6292 1 17 . 1 1 4 4 ILE HA H 1 3.63 0.01 . 1 . . . . . . . . 6292 1 18 . 1 1 4 4 ILE HB H 1 1.93 0.01 . 1 . . . . . . . . 6292 1 19 . 1 1 4 4 ILE HG12 H 1 1.44 0.01 . 2 . . . . . . . . 6292 1 20 . 1 1 4 4 ILE HG13 H 1 1.22 0.01 . 2 . . . . . . . . 6292 1 21 . 1 1 4 4 ILE HG21 H 1 0.97 0.01 . 1 . . . . . . . . 6292 1 22 . 1 1 4 4 ILE HG22 H 1 0.97 0.01 . 1 . . . . . . . . 6292 1 23 . 1 1 4 4 ILE HG23 H 1 0.97 0.01 . 1 . . . . . . . . 6292 1 24 . 1 1 4 4 ILE HD11 H 1 0.89 0.01 . 1 . . . . . . . . 6292 1 25 . 1 1 4 4 ILE HD12 H 1 0.89 0.01 . 1 . . . . . . . . 6292 1 26 . 1 1 4 4 ILE HD13 H 1 0.89 0.01 . 1 . . . . . . . . 6292 1 27 . 1 1 4 4 ILE C C 13 175.5 0.1 . 9 . . . . . . . . 6292 1 28 . 1 1 4 4 ILE CA C 13 61.05 0.05 . 1 . . . . . . . . 6292 1 29 . 1 1 4 4 ILE CB C 13 38.81 0.05 . 1 . . . . . . . . 6292 1 30 . 1 1 4 4 ILE CG1 C 13 27.13 0.05 . 1 . . . . . . . . 6292 1 31 . 1 1 4 4 ILE CG2 C 13 17.24 0.05 . 1 . . . . . . . . 6292 1 32 . 1 1 4 4 ILE CD1 C 13 13.18 0.05 . 1 . . . . . . . . 6292 1 33 . 1 1 4 4 ILE N N 15 122.50 0.1 . 1 . . . . . . . . 6292 1 34 . 1 1 5 5 LEU H H 1 8.35 0.01 . 1 . . . . . . . . 6292 1 35 . 1 1 5 5 LEU HA H 1 4.31 0.01 . 9 . . . . . . . . 6292 1 36 . 1 1 5 5 LEU C C 13 176.40 0.1 . 1 . . . . . . . . 6292 1 37 . 1 1 5 5 LEU CA C 13 54.51 0.05 . 1 . . . . . . . . 6292 1 38 . 1 1 5 5 LEU CB C 13 42.82 0.05 . 1 . . . . . . . . 6292 1 39 . 1 1 5 5 LEU CG C 13 27.14 0.05 . 1 . . . . . . . . 6292 1 40 . 1 1 5 5 LEU CD1 C 13 24.42 0.05 . 2 . . . . . . . . 6292 1 41 . 1 1 5 5 LEU N N 15 128.00 0.1 . 1 . . . . . . . . 6292 1 42 . 1 1 6 6 LEU H H 1 8.24 0.01 . 1 . . . . . . . . 6292 1 43 . 1 1 6 6 LEU C C 13 176.50 0.1 . 1 . . . . . . . . 6292 1 44 . 1 1 6 6 LEU CA C 13 54.54 0.05 . 1 . . . . . . . . 6292 1 45 . 1 1 6 6 LEU CB C 13 42.84 0.05 . 1 . . . . . . . . 6292 1 46 . 1 1 6 6 LEU CG C 13 27.45 0.05 . 1 . . . . . . . . 6292 1 47 . 1 1 6 6 LEU CD1 C 13 25.74 0.05 . 2 . . . . . . . . 6292 1 48 . 1 1 6 6 LEU CD2 C 13 23.17 0.05 . 2 . . . . . . . . 6292 1 49 . 1 1 6 6 LEU N N 15 125.50 0.1 . 1 . . . . . . . . 6292 1 50 . 1 1 7 7 SER H H 1 8.85 0.01 . 1 . . . . . . . . 6292 1 51 . 1 1 7 7 SER HA H 1 4.46 0.01 . 1 . . . . . . . . 6292 1 52 . 1 1 7 7 SER HB2 H 1 4.05 0.01 . 2 . . . . . . . . 6292 1 53 . 1 1 7 7 SER HB3 H 1 3.85 0.01 . 2 . . . . . . . . 6292 1 54 . 1 1 7 7 SER C C 13 175.50 0.1 . 1 . . . . . . . . 6292 1 55 . 1 1 7 7 SER CA C 13 57.08 0.05 . 1 . . . . . . . . 6292 1 56 . 1 1 7 7 SER CB C 13 65.06 0.05 . 1 . . . . . . . . 6292 1 57 . 1 1 7 7 SER N N 15 116.10 0.1 . 1 . . . . . . . . 6292 1 58 . 1 1 8 8 ALA H H 1 8.69 0.01 . 1 . . . . . . . . 6292 1 59 . 1 1 8 8 ALA HA H 1 3.92 0.01 . 1 . . . . . . . . 6292 1 60 . 1 1 8 8 ALA HB1 H 1 0.29 0.01 . 1 . . . . . . . . 6292 1 61 . 1 1 8 8 ALA HB2 H 1 0.29 0.01 . 1 . . . . . . . . 6292 1 62 . 1 1 8 8 ALA HB3 H 1 0.29 0.01 . 1 . . . . . . . . 6292 1 63 . 1 1 8 8 ALA C C 13 179.80 0.1 . 1 . . . . . . . . 6292 1 64 . 1 1 8 8 ALA CA C 13 54.87 0.05 . 1 . . . . . . . . 6292 1 65 . 1 1 8 8 ALA CB C 13 16.93 0.05 . 1 . . . . . . . . 6292 1 66 . 1 1 8 8 ALA N N 15 125.30 0.1 . 1 . . . . . . . . 6292 1 67 . 1 1 9 9 SER H H 1 8.16 0.01 . 1 . . . . . . . . 6292 1 68 . 1 1 9 9 SER HA H 1 4.15 0.01 . 1 . . . . . . . . 6292 1 69 . 1 1 9 9 SER HB2 H 1 3.94 0.01 . 2 . . . . . . . . 6292 1 70 . 1 1 9 9 SER HB3 H 1 3.77 0.01 . 2 . . . . . . . . 6292 1 71 . 1 1 9 9 SER C C 13 176.20 0.1 . 1 . . . . . . . . 6292 1 72 . 1 1 9 9 SER CA C 13 61.62 0.05 . 1 . . . . . . . . 6292 1 73 . 1 1 9 9 SER CB C 13 62.78 0.05 . 1 . . . . . . . . 6292 1 74 . 1 1 9 9 SER N N 15 111.10 0.1 . 1 . . . . . . . . 6292 1 75 . 1 1 10 10 ASP H H 1 7.78 0.01 . 1 . . . . . . . . 6292 1 76 . 1 1 10 10 ASP HA H 1 4.52 0.01 . 1 . . . . . . . . 6292 1 77 . 1 1 10 10 ASP HB2 H 1 2.75 0.01 . 2 . . . . . . . . 6292 1 78 . 1 1 10 10 ASP HB3 H 1 2.95 0.01 . 2 . . . . . . . . 6292 1 79 . 1 1 10 10 ASP C C 13 177.40 0.1 . 1 . . . . . . . . 6292 1 80 . 1 1 10 10 ASP CA C 13 56.71 0.05 . 1 . . . . . . . . 6292 1 81 . 1 1 10 10 ASP CB C 13 41.72 0.05 . 1 . . . . . . . . 6292 1 82 . 1 1 10 10 ASP N N 15 120.30 0.1 . 1 . . . . . . . . 6292 1 83 . 1 1 11 11 LEU H H 1 7.34 0.01 . 1 . . . . . . . . 6292 1 84 . 1 1 11 11 LEU HA H 1 4.56 0.01 . 1 . . . . . . . . 6292 1 85 . 1 1 11 11 LEU HB2 H 1 1.39 0.01 . 2 . . . . . . . . 6292 1 86 . 1 1 11 11 LEU HB3 H 1 1.76 0.01 . 2 . . . . . . . . 6292 1 87 . 1 1 11 11 LEU HG H 1 1.65 0.01 . 1 . . . . . . . . 6292 1 88 . 1 1 11 11 LEU HD11 H 1 0.86 0.01 . 2 . . . . . . . . 6292 1 89 . 1 1 11 11 LEU HD12 H 1 0.86 0.01 . 2 . . . . . . . . 6292 1 90 . 1 1 11 11 LEU HD13 H 1 0.86 0.01 . 2 . . . . . . . . 6292 1 91 . 1 1 11 11 LEU HD21 H 1 1.08 0.01 . 2 . . . . . . . . 6292 1 92 . 1 1 11 11 LEU HD22 H 1 1.08 0.01 . 2 . . . . . . . . 6292 1 93 . 1 1 11 11 LEU HD23 H 1 1.08 0.01 . 2 . . . . . . . . 6292 1 94 . 1 1 11 11 LEU C C 13 175.20 0.1 . 1 . . . . . . . . 6292 1 95 . 1 1 11 11 LEU CA C 13 55.13 0.05 . 1 . . . . . . . . 6292 1 96 . 1 1 11 11 LEU CB C 13 45.03 0.05 . 1 . . . . . . . . 6292 1 97 . 1 1 11 11 LEU CG C 13 27.49 0.05 . 1 . . . . . . . . 6292 1 98 . 1 1 11 11 LEU CD1 C 13 26.03 0.05 . 2 . . . . . . . . 6292 1 99 . 1 1 11 11 LEU CD2 C 13 23.14 0.05 . 2 . . . . . . . . 6292 1 100 . 1 1 11 11 LEU N N 15 118.90 0.1 . 1 . . . . . . . . 6292 1 101 . 1 1 12 12 ALA H H 1 7.47 0.01 . 1 . . . . . . . . 6292 1 102 . 1 1 12 12 ALA HA H 1 4.06 0.01 . 1 . . . . . . . . 6292 1 103 . 1 1 12 12 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 6292 1 104 . 1 1 12 12 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 6292 1 105 . 1 1 12 12 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 6292 1 106 . 1 1 12 12 ALA C C 13 177.80 0.1 . 1 . . . . . . . . 6292 1 107 . 1 1 12 12 ALA CA C 13 53.20 0.05 . 1 . . . . . . . . 6292 1 108 . 1 1 12 12 ALA CB C 13 19.19 0.05 . 1 . . . . . . . . 6292 1 109 . 1 1 12 12 ALA N N 15 120.90 0.1 . 1 . . . . . . . . 6292 1 110 . 1 1 13 13 GLY H H 1 9.01 0.01 . 1 . . . . . . . . 6292 1 111 . 1 1 13 13 GLY HA2 H 1 4.52 0.01 . 2 . . . . . . . . 6292 1 112 . 1 1 13 13 GLY HA3 H 1 3.88 0.01 . 2 . . . . . . . . 6292 1 113 . 1 1 13 13 GLY C C 13 172.70 0.1 . 1 . . . . . . . . 6292 1 114 . 1 1 13 13 GLY CA C 13 44.64 0.05 . 1 . . . . . . . . 6292 1 115 . 1 1 13 13 GLY N N 15 108.60 0.1 . 1 . . . . . . . . 6292 1 116 . 1 1 14 14 GLN H H 1 8.54 0.01 . 1 . . . . . . . . 6292 1 117 . 1 1 14 14 GLN HA H 1 4.97 0.01 . 1 . . . . . . . . 6292 1 118 . 1 1 14 14 GLN HB2 H 1 2.15 0.01 . 2 . . . . . . . . 6292 1 119 . 1 1 14 14 GLN HB3 H 1 1.96 0.01 . 2 . . . . . . . . 6292 1 120 . 1 1 14 14 GLN HG2 H 1 2.45 0.01 . 2 . . . . . . . . 6292 1 121 . 1 1 14 14 GLN HG3 H 1 2.38 0.01 . 2 . . . . . . . . 6292 1 122 . 1 1 14 14 GLN C C 13 176.0 0.1 . 1 . . . . . . . . 6292 1 123 . 1 1 14 14 GLN CA C 13 55.91 0.05 . 1 . . . . . . . . 6292 1 124 . 1 1 14 14 GLN CB C 13 29.48 0.05 . 1 . . . . . . . . 6292 1 125 . 1 1 14 14 GLN CG C 13 33.84 0.05 . 1 . . . . . . . . 6292 1 126 . 1 1 14 14 GLN N N 15 121.80 0.1 . 1 . . . . . . . . 6292 1 127 . 1 1 15 15 TRP H H 1 9.11 0.01 . 1 . . . . . . . . 6292 1 128 . 1 1 15 15 TRP HA H 1 5.21 0.01 . 1 . . . . . . . . 6292 1 129 . 1 1 15 15 TRP HB2 H 1 2.32 0.01 . 2 . . . . . . . . 6292 1 130 . 1 1 15 15 TRP HB3 H 1 3.11 0.01 . 2 . . . . . . . . 6292 1 131 . 1 1 15 15 TRP HD1 H 1 7.08 0.01 . 1 . . . . . . . . 6292 1 132 . 1 1 15 15 TRP HE1 H 1 9.75 0.01 . 1 . . . . . . . . 6292 1 133 . 1 1 15 15 TRP HZ2 H 1 7.47 0.01 . 1 . . . . . . . . 6292 1 134 . 1 1 15 15 TRP C C 13 175.40 0.1 . 1 . . . . . . . . 6292 1 135 . 1 1 15 15 TRP CA C 13 56.24 0.05 . 1 . . . . . . . . 6292 1 136 . 1 1 15 15 TRP CB C 13 33.98 0.05 . 1 . . . . . . . . 6292 1 137 . 1 1 15 15 TRP CD1 C 13 125.90 0.05 . 1 . . . . . . . . 6292 1 138 . 1 1 15 15 TRP N N 15 124.10 0.1 . 1 . . . . . . . . 6292 1 139 . 1 1 15 15 TRP NE1 N 15 129.10 0.1 . 1 . . . . . . . . 6292 1 140 . 1 1 16 16 THR H H 1 9.83 0.01 . 1 . . . . . . . . 6292 1 141 . 1 1 16 16 THR HA H 1 5.22 0.01 . 1 . . . . . . . . 6292 1 142 . 1 1 16 16 THR HB H 1 3.85 0.01 . 1 . . . . . . . . 6292 1 143 . 1 1 16 16 THR HG21 H 1 0.85 0.01 . 1 . . . . . . . . 6292 1 144 . 1 1 16 16 THR HG22 H 1 0.85 0.01 . 1 . . . . . . . . 6292 1 145 . 1 1 16 16 THR HG23 H 1 0.85 0.01 . 1 . . . . . . . . 6292 1 146 . 1 1 16 16 THR C C 13 172.90 0.1 . 1 . . . . . . . . 6292 1 147 . 1 1 16 16 THR CA C 13 59.49 0.05 . 1 . . . . . . . . 6292 1 148 . 1 1 16 16 THR CB C 13 71.66 0.05 . 1 . . . . . . . . 6292 1 149 . 1 1 16 16 THR CG2 C 13 21.75 0.05 . 1 . . . . . . . . 6292 1 150 . 1 1 16 16 THR N N 15 112.80 0.1 . 1 . . . . . . . . 6292 1 151 . 1 1 17 17 LEU H H 1 8.79 0.01 . 1 . . . . . . . . 6292 1 152 . 1 1 17 17 LEU HA H 1 5.47 0.01 . 1 . . . . . . . . 6292 1 153 . 1 1 17 17 LEU HB2 H 1 1.62 0.01 . 2 . . . . . . . . 6292 1 154 . 1 1 17 17 LEU HB3 H 1 1.16 0.01 . 2 . . . . . . . . 6292 1 155 . 1 1 17 17 LEU HG H 1 1.24 0.01 . 1 . . . . . . . . 6292 1 156 . 1 1 17 17 LEU HD11 H 1 0.55 0.01 . 2 . . . . . . . . 6292 1 157 . 1 1 17 17 LEU HD12 H 1 0.55 0.01 . 2 . . . . . . . . 6292 1 158 . 1 1 17 17 LEU HD13 H 1 0.55 0.01 . 2 . . . . . . . . 6292 1 159 . 1 1 17 17 LEU HD21 H 1 0.61 0.01 . 2 . . . . . . . . 6292 1 160 . 1 1 17 17 LEU HD22 H 1 0.61 0.01 . 2 . . . . . . . . 6292 1 161 . 1 1 17 17 LEU HD23 H 1 0.61 0.01 . 2 . . . . . . . . 6292 1 162 . 1 1 17 17 LEU C C 13 174.3 0.1 . 1 . . . . . . . . 6292 1 163 . 1 1 17 17 LEU CA C 13 53.90 0.05 . 1 . . . . . . . . 6292 1 164 . 1 1 17 17 LEU CB C 13 46.49 0.05 . 1 . . . . . . . . 6292 1 165 . 1 1 17 17 LEU CG C 13 27.64 0.05 . 1 . . . . . . . . 6292 1 166 . 1 1 17 17 LEU CD1 C 13 26.58 0.05 . 2 . . . . . . . . 6292 1 167 . 1 1 17 17 LEU CD2 C 13 25.19 0.05 . 2 . . . . . . . . 6292 1 168 . 1 1 17 17 LEU N N 15 123.80 0.1 . 1 . . . . . . . . 6292 1 169 . 1 1 18 18 GLN H H 1 8.41 0.01 . 1 . . . . . . . . 6292 1 170 . 1 1 18 18 GLN HA H 1 4.88 0.01 . 1 . . . . . . . . 6292 1 171 . 1 1 18 18 GLN HB2 H 1 1.98 0.01 . 2 . . . . . . . . 6292 1 172 . 1 1 18 18 GLN HB3 H 1 2.34 0.01 . 2 . . . . . . . . 6292 1 173 . 1 1 18 18 GLN C C 13 173.20 0.1 . 1 . . . . . . . . 6292 1 174 . 1 1 18 18 GLN CA C 13 54.23 0.05 . 1 . . . . . . . . 6292 1 175 . 1 1 18 18 GLN CB C 13 34.04 0.05 . 1 . . . . . . . . 6292 1 176 . 1 1 18 18 GLN CG C 13 33.22 0.05 . 1 . . . . . . . . 6292 1 177 . 1 1 18 18 GLN N N 15 124.10 0.1 . 1 . . . . . . . . 6292 1 178 . 1 1 19 19 GLN H H 1 9.10 0.01 . 1 . . . . . . . . 6292 1 179 . 1 1 19 19 GLN HA H 1 4.83 0.01 . 1 . . . . . . . . 6292 1 180 . 1 1 19 19 GLN HB2 H 1 2.15 0.01 . 2 . . . . . . . . 6292 1 181 . 1 1 19 19 GLN HB3 H 1 1.60 0.01 . 2 . . . . . . . . 6292 1 182 . 1 1 19 19 GLN HG2 H 1 2.01 0.01 . 2 . . . . . . . . 6292 1 183 . 1 1 19 19 GLN HG3 H 1 2.31 0.01 . 2 . . . . . . . . 6292 1 184 . 1 1 19 19 GLN C C 13 175.0 0.1 . 1 . . . . . . . . 6292 1 185 . 1 1 19 19 GLN CA C 13 54.27 0.05 . 1 . . . . . . . . 6292 1 186 . 1 1 19 19 GLN CB C 13 29.75 0.05 . 1 . . . . . . . . 6292 1 187 . 1 1 19 19 GLN CG C 13 33.62 0.05 . 1 . . . . . . . . 6292 1 188 . 1 1 19 19 GLN N N 15 125.60 0.1 . 1 . . . . . . . . 6292 1 189 . 1 1 20 20 ASP H H 1 8.78 0.01 . 1 . . . . . . . . 6292 1 190 . 1 1 20 20 ASP HA H 1 4.28 0.01 . 1 . . . . . . . . 6292 1 191 . 1 1 20 20 ASP HB2 H 1 2.69 0.01 . 2 . . . . . . . . 6292 1 192 . 1 1 20 20 ASP C C 13 175.60 0.1 . 1 . . . . . . . . 6292 1 193 . 1 1 20 20 ASP CA C 13 56.84 0.05 . 1 . . . . . . . . 6292 1 194 . 1 1 20 20 ASP CB C 13 41.09 0.05 . 1 . . . . . . . . 6292 1 195 . 1 1 20 20 ASP N N 15 126.60 0.1 . 1 . . . . . . . . 6292 1 196 . 1 1 21 21 GLU H H 1 8.41 0.01 . 1 . . . . . . . . 6292 1 197 . 1 1 21 21 GLU HA H 1 4.19 0.01 . 1 . . . . . . . . 6292 1 198 . 1 1 21 21 GLU HB2 H 1 2.02 0.01 . 2 . . . . . . . . 6292 1 199 . 1 1 21 21 GLU HB3 H 1 2.24 0.01 . 2 . . . . . . . . 6292 1 200 . 1 1 21 21 GLU HG2 H 1 2.17 0.01 . 2 . . . . . . . . 6292 1 201 . 1 1 21 21 GLU C C 13 175.60 0.1 . 1 . . . . . . . . 6292 1 202 . 1 1 21 21 GLU CA C 13 56.62 0.05 . 1 . . . . . . . . 6292 1 203 . 1 1 21 21 GLU CB C 13 28.44 0.05 . 1 . . . . . . . . 6292 1 204 . 1 1 21 21 GLU CG C 13 36.62 0.05 . 1 . . . . . . . . 6292 1 205 . 1 1 21 21 GLU N N 15 118.0 0.1 . 1 . . . . . . . . 6292 1 206 . 1 1 22 22 ALA H H 1 8.34 0.01 . 1 . . . . . . . . 6292 1 207 . 1 1 22 22 ALA HA H 1 4.78 0.01 . 1 . . . . . . . . 6292 1 208 . 1 1 22 22 ALA HB1 H 1 1.58 0.01 . 1 . . . . . . . . 6292 1 209 . 1 1 22 22 ALA HB2 H 1 1.58 0.01 . 1 . . . . . . . . 6292 1 210 . 1 1 22 22 ALA HB3 H 1 1.58 0.01 . 1 . . . . . . . . 6292 1 211 . 1 1 22 22 ALA C C 13 177.6 0.1 . 1 . . . . . . . . 6292 1 212 . 1 1 22 22 ALA CA C 13 50.47 0.05 . 1 . . . . . . . . 6292 1 213 . 1 1 22 22 ALA CB C 13 18.98 0.05 . 1 . . . . . . . . 6292 1 214 . 1 1 22 22 ALA N N 15 125.10 0.1 . 1 . . . . . . . . 6292 1 215 . 1 1 23 23 PRO HA H 1 4.41 0.01 . 1 . . . . . . . . 6292 1 216 . 1 1 23 23 PRO HB2 H 1 2.23 0.01 . 2 . . . . . . . . 6292 1 217 . 1 1 23 23 PRO HG2 H 1 2.03 0.01 . 2 . . . . . . . . 6292 1 218 . 1 1 23 23 PRO C C 13 177.10 0.1 . 1 . . . . . . . . 6292 1 219 . 1 1 23 23 PRO CA C 13 64.37 0.05 . 1 . . . . . . . . 6292 1 220 . 1 1 23 23 PRO CB C 13 32.09 0.05 . 1 . . . . . . . . 6292 1 221 . 1 1 23 23 PRO CG C 13 27.28 0.05 . 1 . . . . . . . . 6292 1 222 . 1 1 24 24 ALA H H 1 7.55 0.01 . 1 . . . . . . . . 6292 1 223 . 1 1 24 24 ALA HA H 1 4.31 0.01 . 1 . . . . . . . . 6292 1 224 . 1 1 24 24 ALA HB1 H 1 1.34 0.01 . 1 . . . . . . . . 6292 1 225 . 1 1 24 24 ALA HB2 H 1 1.34 0.01 . 1 . . . . . . . . 6292 1 226 . 1 1 24 24 ALA HB3 H 1 1.34 0.01 . 1 . . . . . . . . 6292 1 227 . 1 1 24 24 ALA C C 13 176.40 0.1 . 1 . . . . . . . . 6292 1 228 . 1 1 24 24 ALA CA C 13 53.42 0.05 . 1 . . . . . . . . 6292 1 229 . 1 1 24 24 ALA CB C 13 18.35 0.05 . 1 . . . . . . . . 6292 1 230 . 1 1 24 24 ALA N N 15 122.0 0.1 . 1 . . . . . . . . 6292 1 231 . 1 1 25 25 ILE H H 1 8.24 0.01 . 1 . . . . . . . . 6292 1 232 . 1 1 25 25 ILE HA H 1 4.79 0.01 . 1 . . . . . . . . 6292 1 233 . 1 1 25 25 ILE HG21 H 1 0.68 0.01 . 1 . . . . . . . . 6292 1 234 . 1 1 25 25 ILE HG22 H 1 0.68 0.01 . 1 . . . . . . . . 6292 1 235 . 1 1 25 25 ILE HG23 H 1 0.68 0.01 . 1 . . . . . . . . 6292 1 236 . 1 1 25 25 ILE HD11 H 1 0.81 0.01 . 1 . . . . . . . . 6292 1 237 . 1 1 25 25 ILE HD12 H 1 0.81 0.01 . 1 . . . . . . . . 6292 1 238 . 1 1 25 25 ILE HD13 H 1 0.81 0.01 . 1 . . . . . . . . 6292 1 239 . 1 1 25 25 ILE C C 13 175.20 0.1 . 1 . . . . . . . . 6292 1 240 . 1 1 25 25 ILE CA C 13 60.46 0.05 . 1 . . . . . . . . 6292 1 241 . 1 1 25 25 ILE CG2 C 13 17.11 0.05 . 1 . . . . . . . . 6292 1 242 . 1 1 25 25 ILE CD1 C 13 13.68 0.05 . 1 . . . . . . . . 6292 1 243 . 1 1 25 25 ILE N N 15 121.60 0.1 . 1 . . . . . . . . 6292 1 244 . 1 1 26 26 CYS HA H 1 5.40 0.01 . 1 . . . . . . . . 6292 1 245 . 1 1 26 26 CYS HB2 H 1 3.16 0.01 . 2 . . . . . . . . 6292 1 246 . 1 1 26 26 CYS HB3 H 1 2.66 0.01 . 2 . . . . . . . . 6292 1 247 . 1 1 26 26 CYS C C 13 174.30 0.1 . 1 . . . . . . . . 6292 1 248 . 1 1 26 26 CYS CA C 13 51.37 0.05 . 1 . . . . . . . . 6292 1 249 . 1 1 26 26 CYS CB C 13 38.74 0.05 . 1 . . . . . . . . 6292 1 250 . 1 1 27 27 HIS H H 1 9.64 0.01 . 1 . . . . . . . . 6292 1 251 . 1 1 27 27 HIS HA H 1 4.75 0.01 . 1 . . . . . . . . 6292 1 252 . 1 1 27 27 HIS HB2 H 1 3.226 0.01 . 2 . . . . . . . . 6292 1 253 . 1 1 27 27 HIS HD2 H 1 7.34 0.01 . 1 . . . . . . . . 6292 1 254 . 1 1 27 27 HIS C C 13 173.40 0.1 . 1 . . . . . . . . 6292 1 255 . 1 1 27 27 HIS CA C 13 57.00 0.05 . 1 . . . . . . . . 6292 1 256 . 1 1 27 27 HIS CB C 13 29.52 0.05 . 1 . . . . . . . . 6292 1 257 . 1 1 27 27 HIS CD2 C 13 117.30 0.05 . 1 . . . . . . . . 6292 1 258 . 1 1 27 27 HIS N N 15 125.50 0.1 . 1 . . . . . . . . 6292 1 259 . 1 1 28 28 LEU H H 1 9.02 0.01 . 1 . . . . . . . . 6292 1 260 . 1 1 28 28 LEU HA H 1 4.85 0.01 . 1 . . . . . . . . 6292 1 261 . 1 1 28 28 LEU HB2 H 1 1.34 0.01 . 2 . . . . . . . . 6292 1 262 . 1 1 28 28 LEU HB3 H 1 1.18 0.01 . 2 . . . . . . . . 6292 1 263 . 1 1 28 28 LEU HG H 1 1.43 0.01 . 1 . . . . . . . . 6292 1 264 . 1 1 28 28 LEU HD11 H 1 0.66 0.01 . 2 . . . . . . . . 6292 1 265 . 1 1 28 28 LEU HD12 H 1 0.66 0.01 . 2 . . . . . . . . 6292 1 266 . 1 1 28 28 LEU HD13 H 1 0.66 0.01 . 2 . . . . . . . . 6292 1 267 . 1 1 28 28 LEU HD21 H 1 0.62 0.01 . 2 . . . . . . . . 6292 1 268 . 1 1 28 28 LEU HD22 H 1 0.62 0.01 . 2 . . . . . . . . 6292 1 269 . 1 1 28 28 LEU HD23 H 1 0.62 0.01 . 2 . . . . . . . . 6292 1 270 . 1 1 28 28 LEU C C 13 174.80 0.1 . 1 . . . . . . . . 6292 1 271 . 1 1 28 28 LEU CA C 13 53.66 0.05 . 1 . . . . . . . . 6292 1 272 . 1 1 28 28 LEU CB C 13 46.94 0.05 . 1 . . . . . . . . 6292 1 273 . 1 1 28 28 LEU CG C 13 26.78 0.05 . 1 . . . . . . . . 6292 1 274 . 1 1 28 28 LEU CD1 C 13 23.25 0.05 . 2 . . . . . . . . 6292 1 275 . 1 1 28 28 LEU CD2 C 13 25.76 0.05 . 2 . . . . . . . . 6292 1 276 . 1 1 28 28 LEU N N 15 123.80 0.1 . 1 . . . . . . . . 6292 1 277 . 1 1 29 29 GLU H H 1 7.75 0.01 . 1 . . . . . . . . 6292 1 278 . 1 1 29 29 GLU HA H 1 4.83 0.01 . 1 . . . . . . . . 6292 1 279 . 1 1 29 29 GLU HB2 H 1 1.57 0.01 . 2 . . . . . . . . 6292 1 280 . 1 1 29 29 GLU HB3 H 1 1.74 0.01 . 2 . . . . . . . . 6292 1 281 . 1 1 29 29 GLU HG2 H 1 1.88 0.01 . 2 . . . . . . . . 6292 1 282 . 1 1 29 29 GLU HG3 H 1 2.03 0.01 . 2 . . . . . . . . 6292 1 283 . 1 1 29 29 GLU C C 13 174.60 0.1 . 1 . . . . . . . . 6292 1 284 . 1 1 29 29 GLU CA C 13 54.24 0.05 . 1 . . . . . . . . 6292 1 285 . 1 1 29 29 GLU CB C 13 31.82 0.05 . 1 . . . . . . . . 6292 1 286 . 1 1 29 29 GLU CG C 13 36.15 0.05 . 1 . . . . . . . . 6292 1 287 . 1 1 29 29 GLU N N 15 120.6 0.1 . 1 . . . . . . . . 6292 1 288 . 1 1 30 30 LEU H H 1 8.78 0.01 . 1 . . . . . . . . 6292 1 289 . 1 1 30 30 LEU HA H 1 3.91 0.01 . 1 . . . . . . . . 6292 1 290 . 1 1 30 30 LEU HB2 H 1 0.31 0.01 . 2 . . . . . . . . 6292 1 291 . 1 1 30 30 LEU HB3 H 1 0.93 0.01 . 2 . . . . . . . . 6292 1 292 . 1 1 30 30 LEU HG H 1 -0.43 0.01 . 1 . . . . . . . . 6292 1 293 . 1 1 30 30 LEU HD11 H 1 -0.44 0.01 . 2 . . . . . . . . 6292 1 294 . 1 1 30 30 LEU HD12 H 1 -0.44 0.01 . 2 . . . . . . . . 6292 1 295 . 1 1 30 30 LEU HD13 H 1 -0.44 0.01 . 2 . . . . . . . . 6292 1 296 . 1 1 30 30 LEU HD21 H 1 -1.43 0.01 . 2 . . . . . . . . 6292 1 297 . 1 1 30 30 LEU HD22 H 1 -1.43 0.01 . 2 . . . . . . . . 6292 1 298 . 1 1 30 30 LEU HD23 H 1 -1.43 0.01 . 2 . . . . . . . . 6292 1 299 . 1 1 30 30 LEU C C 13 176.40 0.1 . 1 . . . . . . . . 6292 1 300 . 1 1 30 30 LEU CA C 13 56.51 0.05 . 1 . . . . . . . . 6292 1 301 . 1 1 30 30 LEU CB C 13 39.68 0.05 . 1 . . . . . . . . 6292 1 302 . 1 1 30 30 LEU CG C 13 29.64 0.05 . 1 . . . . . . . . 6292 1 303 . 1 1 30 30 LEU CD1 C 13 22.49 0.05 . 1 . . . . . . . . 6292 1 304 . 1 1 30 30 LEU CD2 C 13 22.49 0.05 . 1 . . . . . . . . 6292 1 305 . 1 1 30 30 LEU N N 15 130.5 0.1 . 1 . . . . . . . . 6292 1 306 . 1 1 31 31 ARG H H 1 8.26 0.01 . 1 . . . . . . . . 6292 1 307 . 1 1 31 31 ARG HA H 1 4.89 0.01 . 1 . . . . . . . . 6292 1 308 . 1 1 31 31 ARG HB2 H 1 2.22 0.01 . 2 . . . . . . . . 6292 1 309 . 1 1 31 31 ARG HB3 H 1 2.11 0.01 . 2 . . . . . . . . 6292 1 310 . 1 1 31 31 ARG HG2 H 1 1.62 0.01 . 2 . . . . . . . . 6292 1 311 . 1 1 31 31 ARG HG3 H 1 1.50 0.01 . 2 . . . . . . . . 6292 1 312 . 1 1 31 31 ARG HD2 H 1 3.18 0.01 . 2 . . . . . . . . 6292 1 313 . 1 1 31 31 ARG HD3 H 1 3.01 0.01 . 2 . . . . . . . . 6292 1 314 . 1 1 31 31 ARG C C 13 175.70 0.1 . 1 . . . . . . . . 6292 1 315 . 1 1 31 31 ARG CA C 13 55.37 0.05 . 1 . . . . . . . . 6292 1 316 . 1 1 31 31 ARG CB C 13 32.12 0.05 . 1 . . . . . . . . 6292 1 317 . 1 1 31 31 ARG CG C 13 28.20 0.05 . 1 . . . . . . . . 6292 1 318 . 1 1 31 31 ARG CD C 13 43.82 0.05 . 1 . . . . . . . . 6292 1 319 . 1 1 31 31 ARG N N 15 123.20 0.1 . 1 . . . . . . . . 6292 1 320 . 1 1 32 32 ASP H H 1 8.56 0.01 . 1 . . . . . . . . 6292 1 321 . 1 1 32 32 ASP HA H 1 4.67 0.01 . 1 . . . . . . . . 6292 1 322 . 1 1 32 32 ASP HB2 H 1 2.82 0.01 . 2 . . . . . . . . 6292 1 323 . 1 1 32 32 ASP HB3 H 1 2.15 0.01 . 2 . . . . . . . . 6292 1 324 . 1 1 32 32 ASP C C 13 175.50 0.1 . 1 . . . . . . . . 6292 1 325 . 1 1 32 32 ASP CA C 13 52.45 0.05 . 1 . . . . . . . . 6292 1 326 . 1 1 32 32 ASP CB C 13 39.80 0.05 . 1 . . . . . . . . 6292 1 327 . 1 1 32 32 ASP N N 15 115.70 0.1 . 1 . . . . . . . . 6292 1 328 . 1 1 33 33 SER H H 1 7.29 0.01 . 1 . . . . . . . . 6292 1 329 . 1 1 33 33 SER HA H 1 4.61 0.01 . 1 . . . . . . . . 6292 1 330 . 1 1 33 33 SER HB2 H 1 3.95 0.01 . 2 . . . . . . . . 6292 1 331 . 1 1 33 33 SER HB3 H 1 3.93 0.01 . 2 . . . . . . . . 6292 1 332 . 1 1 33 33 SER C C 13 174.7 0.1 . 1 . . . . . . . . 6292 1 333 . 1 1 33 33 SER CA C 13 56.70 0.05 . 1 . . . . . . . . 6292 1 334 . 1 1 33 33 SER CB C 13 63.74 0.05 . 1 . . . . . . . . 6292 1 335 . 1 1 33 33 SER N N 15 112.70 0.1 . 1 . . . . . . . . 6292 1 336 . 1 1 34 34 GLU H H 1 8.99 0.01 . 1 . . . . . . . . 6292 1 337 . 1 1 34 34 GLU HA H 1 3.90 0.01 . 1 . . . . . . . . 6292 1 338 . 1 1 34 34 GLU HB2 H 1 1.86 0.01 . 2 . . . . . . . . 6292 1 339 . 1 1 34 34 GLU HB3 H 1 1.77 0.01 . 2 . . . . . . . . 6292 1 340 . 1 1 34 34 GLU HG2 H 1 2.20 0.01 . 2 . . . . . . . . 6292 1 341 . 1 1 34 34 GLU HG3 H 1 1.94 0.01 . 2 . . . . . . . . 6292 1 342 . 1 1 34 34 GLU C C 13 176.90 0.1 . 1 . . . . . . . . 6292 1 343 . 1 1 34 34 GLU CA C 13 57.75 0.05 . 1 . . . . . . . . 6292 1 344 . 1 1 34 34 GLU CB C 13 31.23 0.05 . 1 . . . . . . . . 6292 1 345 . 1 1 34 34 GLU CG C 13 37.04 0.05 . 1 . . . . . . . . 6292 1 346 . 1 1 34 34 GLU N N 15 125.10 0.1 . 1 . . . . . . . . 6292 1 347 . 1 1 35 35 VAL H H 1 8.51 0.01 . 1 . . . . . . . . 6292 1 348 . 1 1 35 35 VAL HA H 1 4.11 0.01 . 1 . . . . . . . . 6292 1 349 . 1 1 35 35 VAL HB H 1 1.50 0.01 . 1 . . . . . . . . 6292 1 350 . 1 1 35 35 VAL HG11 H 1 0.79 0.01 . 2 . . . . . . . . 6292 1 351 . 1 1 35 35 VAL HG12 H 1 0.79 0.01 . 2 . . . . . . . . 6292 1 352 . 1 1 35 35 VAL HG13 H 1 0.79 0.01 . 2 . . . . . . . . 6292 1 353 . 1 1 35 35 VAL HG21 H 1 0.84 0.01 . 2 . . . . . . . . 6292 1 354 . 1 1 35 35 VAL HG22 H 1 0.84 0.01 . 2 . . . . . . . . 6292 1 355 . 1 1 35 35 VAL HG23 H 1 0.84 0.01 . 2 . . . . . . . . 6292 1 356 . 1 1 35 35 VAL C C 13 176.1 0.1 . 1 . . . . . . . . 6292 1 357 . 1 1 35 35 VAL CA C 13 60.96 0.05 . 1 . . . . . . . . 6292 1 358 . 1 1 35 35 VAL CB C 13 32.42 0.05 . 1 . . . . . . . . 6292 1 359 . 1 1 35 35 VAL CG1 C 13 21.68 0.05 . 2 . . . . . . . . 6292 1 360 . 1 1 35 35 VAL CG2 C 13 19.78 0.05 . 2 . . . . . . . . 6292 1 361 . 1 1 35 35 VAL N N 15 125.0 0.1 . 1 . . . . . . . . 6292 1 362 . 1 1 36 36 ALA H H 1 8.93 0.01 . 1 . . . . . . . . 6292 1 363 . 1 1 36 36 ALA HA H 1 4.01 0.01 . 1 . . . . . . . . 6292 1 364 . 1 1 36 36 ALA HB1 H 1 1.34 0.01 . 1 . . . . . . . . 6292 1 365 . 1 1 36 36 ALA HB2 H 1 1.34 0.01 . 1 . . . . . . . . 6292 1 366 . 1 1 36 36 ALA HB3 H 1 1.34 0.01 . 1 . . . . . . . . 6292 1 367 . 1 1 36 36 ALA C C 13 181.50 0.1 . 1 . . . . . . . . 6292 1 368 . 1 1 36 36 ALA CA C 13 55.66 0.05 . 1 . . . . . . . . 6292 1 369 . 1 1 36 36 ALA CB C 13 18.39 0.05 . 1 . . . . . . . . 6292 1 370 . 1 1 36 36 ALA N N 15 131.7 0.1 . 1 . . . . . . . . 6292 1 371 . 1 1 37 37 GLU H H 1 9.45 0.01 . 1 . . . . . . . . 6292 1 372 . 1 1 37 37 GLU HA H 1 3.93 0.01 . 1 . . . . . . . . 6292 1 373 . 1 1 37 37 GLU HB2 H 1 1.95 0.01 . 2 . . . . . . . . 6292 1 374 . 1 1 37 37 GLU HB3 H 1 1.92 0.01 . 2 . . . . . . . . 6292 1 375 . 1 1 37 37 GLU HG2 H 1 2.27 0.01 . 2 . . . . . . . . 6292 1 376 . 1 1 37 37 GLU HG3 H 1 2.30 0.01 . 2 . . . . . . . . 6292 1 377 . 1 1 37 37 GLU C C 13 175.9 0.1 . 1 . . . . . . . . 6292 1 378 . 1 1 37 37 GLU CA C 13 59.08 0.05 . 1 . . . . . . . . 6292 1 379 . 1 1 37 37 GLU CB C 13 28.95 0.1 . 1 . . . . . . . . 6292 1 380 . 1 1 37 37 GLU CG C 13 36.22 0.05 . 1 . . . . . . . . 6292 1 381 . 1 1 37 37 GLU N N 15 117.80 0.1 . 1 . . . . . . . . 6292 1 382 . 1 1 38 38 ALA H H 1 6.78 0.01 . 1 . . . . . . . . 6292 1 383 . 1 1 38 38 ALA HA H 1 4.00 0.01 . 1 . . . . . . . . 6292 1 384 . 1 1 38 38 ALA HB1 H 1 0.98 0.01 . 1 . . . . . . . . 6292 1 385 . 1 1 38 38 ALA HB2 H 1 0.98 0.01 . 1 . . . . . . . . 6292 1 386 . 1 1 38 38 ALA HB3 H 1 0.98 0.01 . 1 . . . . . . . . 6292 1 387 . 1 1 38 38 ALA C C 13 175.80 0.1 . 1 . . . . . . . . 6292 1 388 . 1 1 38 38 ALA CA C 13 50.74 0.05 . 1 . . . . . . . . 6292 1 389 . 1 1 38 38 ALA CB C 13 19.64 0.05 . 1 . . . . . . . . 6292 1 390 . 1 1 38 38 ALA N N 15 117.70 0.1 . 1 . . . . . . . . 6292 1 391 . 1 1 39 39 SER H H 1 7.74 0.01 . 1 . . . . . . . . 6292 1 392 . 1 1 39 39 SER HA H 1 3.85 0.01 . 1 . . . . . . . . 6292 1 393 . 1 1 39 39 SER HB2 H 1 3.77 0.01 . 2 . . . . . . . . 6292 1 394 . 1 1 39 39 SER C C 13 174.80 0.1 . 1 . . . . . . . . 6292 1 395 . 1 1 39 39 SER CA C 13 58.14 0.05 . 1 . . . . . . . . 6292 1 396 . 1 1 39 39 SER CB C 13 61.71 0.05 . 1 . . . . . . . . 6292 1 397 . 1 1 39 39 SER N N 15 112.20 0.1 . 1 . . . . . . . . 6292 1 398 . 1 1 40 40 GLY H H 1 6.84 0.01 . 1 . . . . . . . . 6292 1 399 . 1 1 40 40 GLY HA2 H 1 3.87 0.01 . 2 . . . . . . . . 6292 1 400 . 1 1 40 40 GLY HA3 H 1 3.03 0.01 . 2 . . . . . . . . 6292 1 401 . 1 1 40 40 GLY C C 13 170.90 0.1 . 1 . . . . . . . . 6292 1 402 . 1 1 40 40 GLY CA C 13 45.17 0.05 . 1 . . . . . . . . 6292 1 403 . 1 1 40 40 GLY N N 15 104.40 0.1 . 1 . . . . . . . . 6292 1 404 . 1 1 41 41 TYR H H 1 9.15 0.01 . 1 . . . . . . . . 6292 1 405 . 1 1 41 41 TYR HA H 1 5.01 0.01 . 1 . . . . . . . . 6292 1 406 . 1 1 41 41 TYR HB2 H 1 3.16 0.01 . 2 . . . . . . . . 6292 1 407 . 1 1 41 41 TYR HB3 H 1 1.02 0.01 . 2 . . . . . . . . 6292 1 408 . 1 1 41 41 TYR C C 13 175.0 0.1 . 1 . . . . . . . . 6292 1 409 . 1 1 41 41 TYR CA C 13 57.29 0.05 . 1 . . . . . . . . 6292 1 410 . 1 1 41 41 TYR CB C 13 40.76 0.05 . 1 . . . . . . . . 6292 1 411 . 1 1 41 41 TYR N N 15 123.70 0.1 . 1 . . . . . . . . 6292 1 412 . 1 1 42 42 ASP H H 1 8.52 0.01 . 1 . . . . . . . . 6292 1 413 . 1 1 42 42 ASP HA H 1 4.39 0.01 . 1 . . . . . . . . 6292 1 414 . 1 1 42 42 ASP HB2 H 1 2.54 0.01 . 2 . . . . . . . . 6292 1 415 . 1 1 42 42 ASP C C 13 174.30 0.1 . 1 . . . . . . . . 6292 1 416 . 1 1 42 42 ASP CA C 13 56.81 0.05 . 1 . . . . . . . . 6292 1 417 . 1 1 42 42 ASP CB C 13 42.41 0.1 . 1 . . . . . . . . 6292 1 418 . 1 1 42 42 ASP N N 15 119.80 0.1 . 1 . . . . . . . . 6292 1 419 . 1 1 43 43 LEU H H 1 7.57 0.01 . 1 . . . . . . . . 6292 1 420 . 1 1 43 43 LEU HA H 1 5.05 0.01 . 1 . . . . . . . . 6292 1 421 . 1 1 43 43 LEU HB2 H 1 1.65 0.01 . 2 . . . . . . . . 6292 1 422 . 1 1 43 43 LEU HB3 H 1 1.04 0.01 . 2 . . . . . . . . 6292 1 423 . 1 1 43 43 LEU HG H 1 1.43 0.01 . 1 . . . . . . . . 6292 1 424 . 1 1 43 43 LEU HD11 H 1 0.68 0.01 . 2 . . . . . . . . 6292 1 425 . 1 1 43 43 LEU HD12 H 1 0.68 0.01 . 2 . . . . . . . . 6292 1 426 . 1 1 43 43 LEU HD13 H 1 0.68 0.01 . 2 . . . . . . . . 6292 1 427 . 1 1 43 43 LEU C C 13 174.40 0.1 . 1 . . . . . . . . 6292 1 428 . 1 1 43 43 LEU CA C 13 53.18 0.05 . 1 . . . . . . . . 6292 1 429 . 1 1 43 43 LEU CB C 13 46.32 0.05 . 1 . . . . . . . . 6292 1 430 . 1 1 43 43 LEU CG C 13 27.03 0.05 . 1 . . . . . . . . 6292 1 431 . 1 1 43 43 LEU CD1 C 13 24.71 0.05 . 2 . . . . . . . . 6292 1 432 . 1 1 43 43 LEU N N 15 126.0 0.1 . 1 . . . . . . . . 6292 1 433 . 1 1 44 44 GLY H H 1 9.27 0.01 . 1 . . . . . . . . 6292 1 434 . 1 1 44 44 GLY HA2 H 1 4.83 0.01 . 2 . . . . . . . . 6292 1 435 . 1 1 44 44 GLY HA3 H 1 3.61 0.01 . 2 . . . . . . . . 6292 1 436 . 1 1 44 44 GLY C C 13 174.20 0.1 . 1 . . . . . . . . 6292 1 437 . 1 1 44 44 GLY CA C 13 43.67 0.05 . 1 . . . . . . . . 6292 1 438 . 1 1 44 44 GLY N N 15 112.50 0.1 . 1 . . . . . . . . 6292 1 439 . 1 1 45 45 GLY H H 1 8.67 0.01 . 1 . . . . . . . . 6292 1 440 . 1 1 45 45 GLY HA2 H 1 4.25 0.01 . 2 . . . . . . . . 6292 1 441 . 1 1 45 45 GLY HA3 H 1 3.75 0.01 . 2 . . . . . . . . 6292 1 442 . 1 1 45 45 GLY C C 13 174.90 0.1 . 1 . . . . . . . . 6292 1 443 . 1 1 45 45 GLY CA C 13 45.28 0.05 . 1 . . . . . . . . 6292 1 444 . 1 1 45 45 GLY N N 15 108.30 0.1 . 1 . . . . . . . . 6292 1 445 . 1 1 46 46 ASP H H 1 8.88 0.01 . 1 . . . . . . . . 6292 1 446 . 1 1 46 46 ASP HA H 1 4.94 0.01 . 1 . . . . . . . . 6292 1 447 . 1 1 46 46 ASP HB2 H 1 3.24 0.01 . 2 . . . . . . . . 6292 1 448 . 1 1 46 46 ASP HB3 H 1 2.62 0.01 . 2 . . . . . . . . 6292 1 449 . 1 1 46 46 ASP C C 13 176.40 0.1 . 1 . . . . . . . . 6292 1 450 . 1 1 46 46 ASP CA C 13 52.38 0.05 . 1 . . . . . . . . 6292 1 451 . 1 1 46 46 ASP CB C 13 39.13 0.05 . 1 . . . . . . . . 6292 1 452 . 1 1 46 46 ASP N N 15 125.20 0.1 . 1 . . . . . . . . 6292 1 453 . 1 1 47 47 THR H H 1 8.20 0.01 . 1 . . . . . . . . 6292 1 454 . 1 1 47 47 THR HA H 1 3.75 0.01 . 1 . . . . . . . . 6292 1 455 . 1 1 47 47 THR HB H 1 4.53 0.01 . 1 . . . . . . . . 6292 1 456 . 1 1 47 47 THR HG21 H 1 0.97 0.01 . 1 . . . . . . . . 6292 1 457 . 1 1 47 47 THR HG22 H 1 0.97 0.01 . 1 . . . . . . . . 6292 1 458 . 1 1 47 47 THR HG23 H 1 0.97 0.01 . 1 . . . . . . . . 6292 1 459 . 1 1 47 47 THR C C 13 178.70 0.1 . 1 . . . . . . . . 6292 1 460 . 1 1 47 47 THR CA C 13 65.28 0.05 . 1 . . . . . . . . 6292 1 461 . 1 1 47 47 THR CB C 13 67.25 0.05 . 1 . . . . . . . . 6292 1 462 . 1 1 47 47 THR N N 15 113.7 0.1 . 1 . . . . . . . . 6292 1 463 . 1 1 48 48 ALA H H 1 8.57 0.01 . 1 . . . . . . . . 6292 1 464 . 1 1 48 48 ALA HA H 1 3.92 0.01 . 1 . . . . . . . . 6292 1 465 . 1 1 48 48 ALA HB1 H 1 1.41 0.05 . 1 . . . . . . . . 6292 1 466 . 1 1 48 48 ALA HB2 H 1 1.41 0.05 . 1 . . . . . . . . 6292 1 467 . 1 1 48 48 ALA HB3 H 1 1.41 0.05 . 1 . . . . . . . . 6292 1 468 . 1 1 48 48 ALA C C 13 179.80 0.1 . 1 . . . . . . . . 6292 1 469 . 1 1 48 48 ALA CA C 13 55.19 0.05 . 1 . . . . . . . . 6292 1 470 . 1 1 48 48 ALA CB C 13 17.96 0.05 . 1 . . . . . . . . 6292 1 471 . 1 1 48 48 ALA N N 15 125.7 0.1 . 1 . . . . . . . . 6292 1 472 . 1 1 49 49 CYS H H 1 7.37 0.01 . 1 . . . . . . . . 6292 1 473 . 1 1 49 49 CYS HA H 1 4.00 0.01 . 1 . . . . . . . . 6292 1 474 . 1 1 49 49 CYS HB2 H 1 3.38 0.01 . 2 . . . . . . . . 6292 1 475 . 1 1 49 49 CYS HB3 H 1 3.27 0.01 . 2 . . . . . . . . 6292 1 476 . 1 1 49 49 CYS C C 13 175.40 0.1 . 1 . . . . . . . . 6292 1 477 . 1 1 49 49 CYS CA C 13 58.07 0.05 . 1 . . . . . . . . 6292 1 478 . 1 1 49 49 CYS CB C 13 38.03 0.05 . 1 . . . . . . . . 6292 1 479 . 1 1 49 49 CYS N N 15 118.90 0.1 . 1 . . . . . . . . 6292 1 480 . 1 1 50 50 LEU H H 1 7.48 0.01 . 1 . . . . . . . . 6292 1 481 . 1 1 50 50 LEU HA H 1 4.19 0.01 . 1 . . . . . . . . 6292 1 482 . 1 1 50 50 LEU HB2 H 1 2.17 0.01 . 2 . . . . . . . . 6292 1 483 . 1 1 50 50 LEU HB3 H 1 1.75 0.01 . 2 . . . . . . . . 6292 1 484 . 1 1 50 50 LEU HG H 1 1.94 0.01 . 1 . . . . . . . . 6292 1 485 . 1 1 50 50 LEU HD11 H 1 1.02 0.01 . 2 . . . . . . . . 6292 1 486 . 1 1 50 50 LEU HD12 H 1 1.02 0.01 . 2 . . . . . . . . 6292 1 487 . 1 1 50 50 LEU HD13 H 1 1.02 0.01 . 2 . . . . . . . . 6292 1 488 . 1 1 50 50 LEU C C 13 179.20 0.1 . 1 . . . . . . . . 6292 1 489 . 1 1 50 50 LEU CA C 13 57.09 0.05 . 1 . . . . . . . . 6292 1 490 . 1 1 50 50 LEU CB C 13 41.62 0.05 . 1 . . . . . . . . 6292 1 491 . 1 1 50 50 LEU CG C 13 28.88 0.05 . 1 . . . . . . . . 6292 1 492 . 1 1 50 50 LEU CD1 C 13 26.01 0.01 . 2 . . . . . . . . 6292 1 493 . 1 1 50 50 LEU N N 15 114.60 0.1 . 1 . . . . . . . . 6292 1 494 . 1 1 51 51 THR H H 1 7.93 0.01 . 1 . . . . . . . . 6292 1 495 . 1 1 51 51 THR HA H 1 4.44 0.01 . 1 . . . . . . . . 6292 1 496 . 1 1 51 51 THR HB H 1 4.50 0.01 . 1 . . . . . . . . 6292 1 497 . 1 1 51 51 THR HG21 H 1 1.13 0.01 . 1 . . . . . . . . 6292 1 498 . 1 1 51 51 THR HG22 H 1 1.13 0.01 . 1 . . . . . . . . 6292 1 499 . 1 1 51 51 THR HG23 H 1 1.13 0.01 . 1 . . . . . . . . 6292 1 500 . 1 1 51 51 THR C C 13 174.20 0.1 . 1 . . . . . . . . 6292 1 501 . 1 1 51 51 THR CA C 13 64.25 0.05 . 1 . . . . . . . . 6292 1 502 . 1 1 51 51 THR CB C 13 68.28 0.05 . 1 . . . . . . . . 6292 1 503 . 1 1 51 51 THR CG2 C 13 20.85 0.05 . 1 . . . . . . . . 6292 1 504 . 1 1 51 51 THR N N 15 110.8 0.1 . 1 . . . . . . . . 6292 1 505 . 1 1 52 52 ARG H H 1 7.01 0.01 . 1 . . . . . . . . 6292 1 506 . 1 1 52 52 ARG HA H 1 3.85 0.01 . 1 . . . . . . . . 6292 1 507 . 1 1 52 52 ARG HB2 H 1 0.85 0.01 . 2 . . . . . . . . 6292 1 508 . 1 1 52 52 ARG HB3 H 1 0.57 0.01 . 2 . . . . . . . . 6292 1 509 . 1 1 52 52 ARG HG2 H 1 0.43 0.01 . 1 . . . . . . . . 6292 1 510 . 1 1 52 52 ARG HG3 H 1 0.43 0.01 . 1 . . . . . . . . 6292 1 511 . 1 1 52 52 ARG HD2 H 1 2.30 0.01 . 2 . . . . . . . . 6292 1 512 . 1 1 52 52 ARG C C 13 176.8 0.1 . 1 . . . . . . . . 6292 1 513 . 1 1 52 52 ARG CA C 13 58.24 0.05 . 1 . . . . . . . . 6292 1 514 . 1 1 52 52 ARG CB C 13 29.04 0.05 . 1 . . . . . . . . 6292 1 515 . 1 1 52 52 ARG CG C 13 26.09 0.05 . 1 . . . . . . . . 6292 1 516 . 1 1 52 52 ARG CD C 13 42.76 0.05 . 1 . . . . . . . . 6292 1 517 . 1 1 52 52 ARG N N 15 119.80 0.1 . 1 . . . . . . . . 6292 1 518 . 1 1 53 53 TRP H H 1 7.32 0.01 . 1 . . . . . . . . 6292 1 519 . 1 1 53 53 TRP HA H 1 4.91 0.01 . 1 . . . . . . . . 6292 1 520 . 1 1 53 53 TRP HB2 H 1 3.28 0.01 . 2 . . . . . . . . 6292 1 521 . 1 1 53 53 TRP HB3 H 1 2.82 0.01 . 2 . . . . . . . . 6292 1 522 . 1 1 53 53 TRP HD1 H 1 7.26 0.01 . 1 . . . . . . . . 6292 1 523 . 1 1 53 53 TRP HE1 H 1 10.03 0.01 . 1 . . . . . . . . 6292 1 524 . 1 1 53 53 TRP HE3 H 1 7.31 0.01 . 1 . . . . . . . . 6292 1 525 . 1 1 53 53 TRP C C 13 174.8 0.1 . 1 . . . . . . . . 6292 1 526 . 1 1 53 53 TRP CA C 13 58.28 0.05 . 1 . . . . . . . . 6292 1 527 . 1 1 53 53 TRP CB C 13 31.29 0.05 . 1 . . . . . . . . 6292 1 528 . 1 1 53 53 TRP CD1 C 13 124.20 0.05 . 1 . . . . . . . . 6292 1 529 . 1 1 53 53 TRP CE3 C 13 122.10 0.05 . 1 . . . . . . . . 6292 1 530 . 1 1 53 53 TRP N N 15 114.6 0.1 . 1 . . . . . . . . 6292 1 531 . 1 1 53 53 TRP NE1 N 15 129.60 0.1 . 1 . . . . . . . . 6292 1 532 . 1 1 54 54 LEU H H 1 7.88 0.01 . 1 . . . . . . . . 6292 1 533 . 1 1 54 54 LEU HA H 1 4.94 0.01 . 1 . . . . . . . . 6292 1 534 . 1 1 54 54 LEU HB2 H 1 1.70 0.01 . 2 . . . . . . . . 6292 1 535 . 1 1 54 54 LEU HB3 H 1 1.62 0.01 . 2 . . . . . . . . 6292 1 536 . 1 1 54 54 LEU HG H 1 1.83 0.01 . 1 . . . . . . . . 6292 1 537 . 1 1 54 54 LEU HD11 H 1 0.98 0.01 . 2 . . . . . . . . 6292 1 538 . 1 1 54 54 LEU HD12 H 1 0.98 0.01 . 2 . . . . . . . . 6292 1 539 . 1 1 54 54 LEU HD13 H 1 0.98 0.01 . 2 . . . . . . . . 6292 1 540 . 1 1 54 54 LEU HD21 H 1 1.03 0.01 . 2 . . . . . . . . 6292 1 541 . 1 1 54 54 LEU HD22 H 1 1.03 0.01 . 2 . . . . . . . . 6292 1 542 . 1 1 54 54 LEU HD23 H 1 1.03 0.01 . 2 . . . . . . . . 6292 1 543 . 1 1 54 54 LEU C C 13 175.5 0.1 . 1 . . . . . . . . 6292 1 544 . 1 1 54 54 LEU CA C 13 52.16 0.05 . 1 . . . . . . . . 6292 1 545 . 1 1 54 54 LEU CB C 13 44.98 0.05 . 1 . . . . . . . . 6292 1 546 . 1 1 54 54 LEU CG C 13 27.91 0.05 . 1 . . . . . . . . 6292 1 547 . 1 1 54 54 LEU CD1 C 13 26.07 0.05 . 2 . . . . . . . . 6292 1 548 . 1 1 54 54 LEU CD2 C 13 24.20 0.05 . 2 . . . . . . . . 6292 1 549 . 1 1 54 54 LEU N N 15 119.3 0.1 . 1 . . . . . . . . 6292 1 550 . 1 1 55 55 PRO HA H 1 4.42 0.01 . 1 . . . . . . . . 6292 1 551 . 1 1 55 55 PRO HB2 H 1 2.27 0.01 . 2 . . . . . . . . 6292 1 552 . 1 1 55 55 PRO HB3 H 1 2.02 0.01 . 2 . . . . . . . . 6292 1 553 . 1 1 55 55 PRO HG2 H 1 1.96 0.01 . 2 . . . . . . . . 6292 1 554 . 1 1 55 55 PRO HG3 H 1 2.12 0.01 . 2 . . . . . . . . 6292 1 555 . 1 1 55 55 PRO HD2 H 1 3.85 0.01 . 2 . . . . . . . . 6292 1 556 . 1 1 55 55 PRO HD3 H 1 3.62 0.01 . 2 . . . . . . . . 6292 1 557 . 1 1 55 55 PRO C C 13 175.8 0.1 . 1 . . . . . . . . 6292 1 558 . 1 1 55 55 PRO CA C 13 63.81 0.05 . 1 . . . . . . . . 6292 1 559 . 1 1 55 55 PRO CB C 13 32.17 0.05 . 1 . . . . . . . . 6292 1 560 . 1 1 55 55 PRO CG C 13 27.11 0.05 . 1 . . . . . . . . 6292 1 561 . 1 1 55 55 PRO CD C 13 50.57 0.05 . 1 . . . . . . . . 6292 1 562 . 1 1 56 56 SER H H 1 7.09 0.01 . 1 . . . . . . . . 6292 1 563 . 1 1 56 56 SER HA H 1 4.38 0.01 . 1 . . . . . . . . 6292 1 564 . 1 1 56 56 SER HB2 H 1 3.73 0.01 . 2 . . . . . . . . 6292 1 565 . 1 1 56 56 SER HB3 H 1 3.66 0.01 . 2 . . . . . . . . 6292 1 566 . 1 1 56 56 SER C C 13 171.1 0.1 . 1 . . . . . . . . 6292 1 567 . 1 1 56 56 SER CA C 13 56.14 0.05 . 1 . . . . . . . . 6292 1 568 . 1 1 56 56 SER CB C 13 64.81 0.05 . 1 . . . . . . . . 6292 1 569 . 1 1 56 56 SER N N 15 110.2 0.1 . 1 . . . . . . . . 6292 1 570 . 1 1 57 57 GLU H H 1 8.41 0.01 . 1 . . . . . . . . 6292 1 571 . 1 1 57 57 GLU HA H 1 4.09 0.01 . 1 . . . . . . . . 6292 1 572 . 1 1 57 57 GLU HB2 H 1 1.76 0.01 . 2 . . . . . . . . 6292 1 573 . 1 1 57 57 GLU HB3 H 1 1.89 0.01 . 2 . . . . . . . . 6292 1 574 . 1 1 57 57 GLU HG2 H 1 2.02 0.01 . 2 . . . . . . . . 6292 1 575 . 1 1 57 57 GLU HG3 H 1 2.05 0.01 . 2 . . . . . . . . 6292 1 576 . 1 1 57 57 GLU C C 13 174.0 0.1 . 1 . . . . . . . . 6292 1 577 . 1 1 57 57 GLU CA C 13 53.65 0.05 . 1 . . . . . . . . 6292 1 578 . 1 1 57 57 GLU CG C 13 35.13 0.05 . 1 . . . . . . . . 6292 1 579 . 1 1 57 57 GLU N N 15 121.1 0.1 . 1 . . . . . . . . 6292 1 580 . 1 1 58 58 PRO HA H 1 4.32 0.01 . 1 . . . . . . . . 6292 1 581 . 1 1 58 58 PRO HB2 H 1 1.91 0.01 . 2 . . . . . . . . 6292 1 582 . 1 1 58 58 PRO HG2 H 1 1.95 0.01 . 2 . . . . . . . . 6292 1 583 . 1 1 58 58 PRO HG3 H 1 1.74 0.01 . 2 . . . . . . . . 6292 1 584 . 1 1 58 58 PRO HD2 H 1 3.74 0.01 . 2 . . . . . . . . 6292 1 585 . 1 1 58 58 PRO HD3 H 1 4.08 0.01 . 2 . . . . . . . . 6292 1 586 . 1 1 58 58 PRO C C 13 174.6 0.1 . 1 . . . . . . . . 6292 1 587 . 1 1 58 58 PRO CA C 13 62.96 0.05 . 1 . . . . . . . . 6292 1 588 . 1 1 58 58 PRO CB C 13 32.02 0.05 . 1 . . . . . . . . 6292 1 589 . 1 1 58 58 PRO CG C 13 27.98 0.05 . 1 . . . . . . . . 6292 1 590 . 1 1 58 58 PRO CD C 13 50.05 0.05 . 1 . . . . . . . . 6292 1 591 . 1 1 59 59 ARG H H 1 8.15 0.01 . 1 . . . . . . . . 6292 1 592 . 1 1 59 59 ARG HA H 1 4.78 0.01 . 1 . . . . . . . . 6292 1 593 . 1 1 59 59 ARG HB2 H 1 2.01 0.01 . 2 . . . . . . . . 6292 1 594 . 1 1 59 59 ARG HB3 H 1 1.41 0.01 . 2 . . . . . . . . 6292 1 595 . 1 1 59 59 ARG HG2 H 1 1.67 0.01 . 2 . . . . . . . . 6292 1 596 . 1 1 59 59 ARG HD2 H 1 3.32 0.01 . 2 . . . . . . . . 6292 1 597 . 1 1 59 59 ARG HD3 H 1 3.20 0.01 . 2 . . . . . . . . 6292 1 598 . 1 1 59 59 ARG C C 13 174.5 0.1 . 1 . . . . . . . . 6292 1 599 . 1 1 59 59 ARG CA C 13 53.69 0.05 . 1 . . . . . . . . 6292 1 600 . 1 1 59 59 ARG CB C 13 33.25 0.05 . 1 . . . . . . . . 6292 1 601 . 1 1 59 59 ARG CG C 13 26.91 0.05 . 1 . . . . . . . . 6292 1 602 . 1 1 59 59 ARG CD C 13 42.24 0.05 . 1 . . . . . . . . 6292 1 603 . 1 1 59 59 ARG N N 15 116.3 0.1 . 1 . . . . . . . . 6292 1 604 . 1 1 60 60 ALA H H 1 8.26 0.01 . 1 . . . . . . . . 6292 1 605 . 1 1 60 60 ALA HA H 1 5.37 0.01 . 1 . . . . . . . . 6292 1 606 . 1 1 60 60 ALA HB1 H 1 1.17 0.01 . 1 . . . . . . . . 6292 1 607 . 1 1 60 60 ALA HB2 H 1 1.17 0.01 . 1 . . . . . . . . 6292 1 608 . 1 1 60 60 ALA HB3 H 1 1.17 0.01 . 1 . . . . . . . . 6292 1 609 . 1 1 60 60 ALA C C 13 174.1 0.1 . 1 . . . . . . . . 6292 1 610 . 1 1 60 60 ALA CA C 13 51.14 0.05 . 1 . . . . . . . . 6292 1 611 . 1 1 60 60 ALA CB C 13 23.31 0.05 . 1 . . . . . . . . 6292 1 612 . 1 1 60 60 ALA N N 15 120.9 0.1 . 1 . . . . . . . . 6292 1 613 . 1 1 61 61 TRP H H 1 9.52 0.01 . 1 . . . . . . . . 6292 1 614 . 1 1 61 61 TRP HA H 1 5.77 0.01 . 1 . . . . . . . . 6292 1 615 . 1 1 61 61 TRP HB2 H 1 3.28 0.01 . 2 . . . . . . . . 6292 1 616 . 1 1 61 61 TRP HB3 H 1 2.83 0.01 . 2 . . . . . . . . 6292 1 617 . 1 1 61 61 TRP HD1 H 1 6.86 0.01 . 1 . . . . . . . . 6292 1 618 . 1 1 61 61 TRP HE1 H 1 10.44 0.01 . 1 . . . . . . . . 6292 1 619 . 1 1 61 61 TRP HE3 H 1 7.03 0.01 . 1 . . . . . . . . 6292 1 620 . 1 1 61 61 TRP HZ2 H 1 6.92 0.01 . 1 . . . . . . . . 6292 1 621 . 1 1 61 61 TRP HH2 H 1 7.04 0.01 . 1 . . . . . . . . 6292 1 622 . 1 1 61 61 TRP C C 13 174.0 0.1 . 1 . . . . . . . . 6292 1 623 . 1 1 61 61 TRP CA C 13 55.76 0.05 . 1 . . . . . . . . 6292 1 624 . 1 1 61 61 TRP CB C 13 32.18 0.05 . 1 . . . . . . . . 6292 1 625 . 1 1 61 61 TRP CD1 C 13 126.90 0.05 . 1 . . . . . . . . 6292 1 626 . 1 1 61 61 TRP N N 15 118.6 0.1 . 1 . . . . . . . . 6292 1 627 . 1 1 61 61 TRP NE1 N 15 132.60 0.1 . 1 . . . . . . . . 6292 1 628 . 1 1 62 62 ARG H H 1 9.25 0.01 . 1 . . . . . . . . 6292 1 629 . 1 1 62 62 ARG HA H 1 4.21 0.01 . 1 . . . . . . . . 6292 1 630 . 1 1 62 62 ARG HB2 H 1 1.90 0.01 . 2 . . . . . . . . 6292 1 631 . 1 1 62 62 ARG HB3 H 1 1.86 0.01 . 2 . . . . . . . . 6292 1 632 . 1 1 62 62 ARG HG2 H 1 1.49 0.01 . 2 . . . . . . . . 6292 1 633 . 1 1 62 62 ARG HD2 H 1 3.15 0.01 . 2 . . . . . . . . 6292 1 634 . 1 1 62 62 ARG HD3 H 1 3.26 0.01 . 2 . . . . . . . . 6292 1 635 . 1 1 62 62 ARG CA C 13 55.07 0.05 . 1 . . . . . . . . 6292 1 636 . 1 1 62 62 ARG CB C 13 32.50 0.05 . 1 . . . . . . . . 6292 1 637 . 1 1 62 62 ARG CG C 13 26.56 0.05 . 1 . . . . . . . . 6292 1 638 . 1 1 62 62 ARG CD C 13 43.75 0.05 . 1 . . . . . . . . 6292 1 639 . 1 1 62 62 ARG N N 15 115.1 0.1 . 1 . . . . . . . . 6292 1 640 . 1 1 63 63 PRO HA H 1 4.96 0.01 . 1 . . . . . . . . 6292 1 641 . 1 1 63 63 PRO HB2 H 1 2.16 0.01 . 2 . . . . . . . . 6292 1 642 . 1 1 63 63 PRO HG2 H 1 2.07 0.01 . 2 . . . . . . . . 6292 1 643 . 1 1 63 63 PRO HG3 H 1 1.63 0.01 . 2 . . . . . . . . 6292 1 644 . 1 1 63 63 PRO HD2 H 1 3.61 0.01 . 2 . . . . . . . . 6292 1 645 . 1 1 63 63 PRO C C 13 175.8 0.1 . 1 . . . . . . . . 6292 1 646 . 1 1 63 63 PRO CA C 13 62.24 0.05 . 1 . . . . . . . . 6292 1 647 . 1 1 63 63 PRO CB C 13 32.13 0.05 . 1 . . . . . . . . 6292 1 648 . 1 1 63 63 PRO CG C 13 26.69 0.05 . 1 . . . . . . . . 6292 1 649 . 1 1 63 63 PRO CD C 13 50.64 0.05 . 1 . . . . . . . . 6292 1 650 . 1 1 64 64 THR H H 1 8.62 0.01 . 1 . . . . . . . . 6292 1 651 . 1 1 64 64 THR HA H 1 4.92 0.01 . 1 . . . . . . . . 6292 1 652 . 1 1 64 64 THR HB H 1 4.54 0.01 . 1 . . . . . . . . 6292 1 653 . 1 1 64 64 THR HG21 H 1 1.06 0.01 . 1 . . . . . . . . 6292 1 654 . 1 1 64 64 THR HG22 H 1 1.06 0.01 . 1 . . . . . . . . 6292 1 655 . 1 1 64 64 THR HG23 H 1 1.06 0.01 . 1 . . . . . . . . 6292 1 656 . 1 1 64 64 THR C C 13 175.7 0.1 . 1 . . . . . . . . 6292 1 657 . 1 1 64 64 THR CA C 13 59.73 0.05 . 1 . . . . . . . . 6292 1 658 . 1 1 64 64 THR CB C 13 68.69 0.05 . 1 . . . . . . . . 6292 1 659 . 1 1 64 64 THR CG2 C 13 22.19 0.05 . 1 . . . . . . . . 6292 1 660 . 1 1 64 64 THR N N 15 116.3 0.1 . 1 . . . . . . . . 6292 1 661 . 1 1 65 65 PRO HA H 1 4.33 0.01 . 1 . . . . . . . . 6292 1 662 . 1 1 65 65 PRO HB2 H 1 1.92 0.01 . 2 . . . . . . . . 6292 1 663 . 1 1 65 65 PRO HB3 H 1 2.39 0.01 . 2 . . . . . . . . 6292 1 664 . 1 1 65 65 PRO HG2 H 1 2.16 0.01 . 2 . . . . . . . . 6292 1 665 . 1 1 65 65 PRO HG3 H 1 1.96 0.01 . 2 . . . . . . . . 6292 1 666 . 1 1 65 65 PRO HD2 H 1 3.87 0.01 . 2 . . . . . . . . 6292 1 667 . 1 1 65 65 PRO HD3 H 1 3.73 0.01 . 2 . . . . . . . . 6292 1 668 . 1 1 65 65 PRO C C 13 176.7 0.1 . 1 . . . . . . . . 6292 1 669 . 1 1 65 65 PRO CA C 13 65.69 0.05 . 1 . . . . . . . . 6292 1 670 . 1 1 65 65 PRO CB C 13 31.35 0.05 . 1 . . . . . . . . 6292 1 671 . 1 1 65 65 PRO CG C 13 28.44 0.05 . 1 . . . . . . . . 6292 1 672 . 1 1 66 66 ALA H H 1 8.09 0.01 . 1 . . . . . . . . 6292 1 673 . 1 1 66 66 ALA HA H 1 4.53 0.01 . 1 . . . . . . . . 6292 1 674 . 1 1 66 66 ALA HB1 H 1 1.40 0.01 . 1 . . . . . . . . 6292 1 675 . 1 1 66 66 ALA HB2 H 1 1.40 0.01 . 1 . . . . . . . . 6292 1 676 . 1 1 66 66 ALA HB3 H 1 1.40 0.01 . 1 . . . . . . . . 6292 1 677 . 1 1 66 66 ALA C C 13 177.3 0.1 . 1 . . . . . . . . 6292 1 678 . 1 1 66 66 ALA CA C 13 51.90 0.05 . 1 . . . . . . . . 6292 1 679 . 1 1 66 66 ALA CB C 13 20.15 0.05 . 1 . . . . . . . . 6292 1 680 . 1 1 66 66 ALA N N 15 119.40 0.05 . 1 . . . . . . . . 6292 1 681 . 1 1 67 67 GLY H H 1 7.81 0.01 . 1 . . . . . . . . 6292 1 682 . 1 1 67 67 GLY HA2 H 1 4.68 0.01 . 2 . . . . . . . . 6292 1 683 . 1 1 67 67 GLY HA3 H 1 4.34 0.01 . 2 . . . . . . . . 6292 1 684 . 1 1 67 67 GLY C C 13 172.3 0.1 . 1 . . . . . . . . 6292 1 685 . 1 1 67 67 GLY CA C 13 47.35 0.05 . 1 . . . . . . . . 6292 1 686 . 1 1 67 67 GLY N N 15 108.7 0.1 . 1 . . . . . . . . 6292 1 687 . 1 1 68 68 ILE H H 1 8.70 0.01 . 1 . . . . . . . . 6292 1 688 . 1 1 68 68 ILE HA H 1 4.33 0.01 . 1 . . . . . . . . 6292 1 689 . 1 1 68 68 ILE HB H 1 0.91 0.01 . 1 . . . . . . . . 6292 1 690 . 1 1 68 68 ILE HG12 H 1 0.86 0.01 . 2 . . . . . . . . 6292 1 691 . 1 1 68 68 ILE HG13 H 1 0.35 0.01 . 2 . . . . . . . . 6292 1 692 . 1 1 68 68 ILE HG21 H 1 0.40 0.01 . 1 . . . . . . . . 6292 1 693 . 1 1 68 68 ILE HG22 H 1 0.40 0.01 . 1 . . . . . . . . 6292 1 694 . 1 1 68 68 ILE HG23 H 1 0.40 0.01 . 1 . . . . . . . . 6292 1 695 . 1 1 68 68 ILE HD11 H 1 -0.68 0.01 . 1 . . . . . . . . 6292 1 696 . 1 1 68 68 ILE HD12 H 1 -0.68 0.01 . 1 . . . . . . . . 6292 1 697 . 1 1 68 68 ILE HD13 H 1 -0.68 0.01 . 1 . . . . . . . . 6292 1 698 . 1 1 68 68 ILE C C 13 173.0 0.1 . 1 . . . . . . . . 6292 1 699 . 1 1 68 68 ILE CA C 13 61.47 0.05 . 1 . . . . . . . . 6292 1 700 . 1 1 68 68 ILE CB C 13 42.78 0.05 . 1 . . . . . . . . 6292 1 701 . 1 1 68 68 ILE CG1 C 13 29.08 0.05 . 1 . . . . . . . . 6292 1 702 . 1 1 68 68 ILE CG2 C 13 16.87 0.05 . 1 . . . . . . . . 6292 1 703 . 1 1 68 68 ILE CD1 C 13 12.13 0.05 . 1 . . . . . . . . 6292 1 704 . 1 1 68 68 ILE N N 15 123.4 0.1 . 1 . . . . . . . . 6292 1 705 . 1 1 69 69 ALA H H 1 9.14 0.01 . 1 . . . . . . . . 6292 1 706 . 1 1 69 69 ALA HA H 1 5.36 0.01 . 1 . . . . . . . . 6292 1 707 . 1 1 69 69 ALA HB1 H 1 1.32 0.01 . 1 . . . . . . . . 6292 1 708 . 1 1 69 69 ALA HB2 H 1 1.32 0.01 . 1 . . . . . . . . 6292 1 709 . 1 1 69 69 ALA HB3 H 1 1.32 0.01 . 1 . . . . . . . . 6292 1 710 . 1 1 69 69 ALA C C 13 176.8 0.1 . 1 . . . . . . . . 6292 1 711 . 1 1 69 69 ALA CA C 13 50.04 0.05 . 1 . . . . . . . . 6292 1 712 . 1 1 69 69 ALA CB C 13 21.77 0.05 . 1 . . . . . . . . 6292 1 713 . 1 1 69 69 ALA N N 15 129.1 0.1 . 1 . . . . . . . . 6292 1 714 . 1 1 70 70 LEU H H 1 8.95 0.01 . 1 . . . . . . . . 6292 1 715 . 1 1 70 70 LEU HA H 1 4.96 0.01 . 1 . . . . . . . . 6292 1 716 . 1 1 70 70 LEU HB2 H 1 1.80 0.01 . 2 . . . . . . . . 6292 1 717 . 1 1 70 70 LEU HB3 H 1 1.13 0.01 . 2 . . . . . . . . 6292 1 718 . 1 1 70 70 LEU HG H 1 1.54 0.01 . 1 . . . . . . . . 6292 1 719 . 1 1 70 70 LEU HD11 H 1 0.71 0.01 . 2 . . . . . . . . 6292 1 720 . 1 1 70 70 LEU HD12 H 1 0.71 0.01 . 2 . . . . . . . . 6292 1 721 . 1 1 70 70 LEU HD13 H 1 0.71 0.01 . 2 . . . . . . . . 6292 1 722 . 1 1 70 70 LEU HD21 H 1 0.62 0.01 . 2 . . . . . . . . 6292 1 723 . 1 1 70 70 LEU HD22 H 1 0.62 0.01 . 2 . . . . . . . . 6292 1 724 . 1 1 70 70 LEU HD23 H 1 0.62 0.01 . 2 . . . . . . . . 6292 1 725 . 1 1 70 70 LEU C C 13 176.4 0.1 . 1 . . . . . . . . 6292 1 726 . 1 1 70 70 LEU CA C 13 53.88 0.05 . 1 . . . . . . . . 6292 1 727 . 1 1 70 70 LEU CB C 13 42.75 0.05 . 1 . . . . . . . . 6292 1 728 . 1 1 70 70 LEU CD1 C 13 26.25 0.05 . 2 . . . . . . . . 6292 1 729 . 1 1 70 70 LEU CD2 C 13 22.11 0.05 . 2 . . . . . . . . 6292 1 730 . 1 1 70 70 LEU N N 15 119.9 0.1 . 1 . . . . . . . . 6292 1 731 . 1 1 71 71 LEU H H 1 8.94 0.01 . 1 . . . . . . . . 6292 1 732 . 1 1 71 71 LEU HA H 1 5.24 0.01 . 1 . . . . . . . . 6292 1 733 . 1 1 71 71 LEU HB2 H 1 1.45 0.01 . 2 . . . . . . . . 6292 1 734 . 1 1 71 71 LEU HB3 H 1 1.39 0.01 . 2 . . . . . . . . 6292 1 735 . 1 1 71 71 LEU HG H 1 1.39 0.01 . 1 . . . . . . . . 6292 1 736 . 1 1 71 71 LEU HD11 H 1 0.64 0.01 . 2 . . . . . . . . 6292 1 737 . 1 1 71 71 LEU HD12 H 1 0.64 0.01 . 2 . . . . . . . . 6292 1 738 . 1 1 71 71 LEU HD13 H 1 0.64 0.01 . 2 . . . . . . . . 6292 1 739 . 1 1 71 71 LEU HD21 H 1 0.60 0.01 . 2 . . . . . . . . 6292 1 740 . 1 1 71 71 LEU HD22 H 1 0.60 0.01 . 2 . . . . . . . . 6292 1 741 . 1 1 71 71 LEU HD23 H 1 0.60 0.01 . 2 . . . . . . . . 6292 1 742 . 1 1 71 71 LEU C C 13 177.7 0.1 . 1 . . . . . . . . 6292 1 743 . 1 1 71 71 LEU CA C 13 54.12 0.05 . 1 . . . . . . . . 6292 1 744 . 1 1 71 71 LEU CB C 13 45.96 0.05 . 1 . . . . . . . . 6292 1 745 . 1 1 71 71 LEU CG C 13 27.11 0.05 . 1 . . . . . . . . 6292 1 746 . 1 1 71 71 LEU CD1 C 13 25.69 0.05 . 2 . . . . . . . . 6292 1 747 . 1 1 71 71 LEU CD2 C 13 23.98 0.05 . 2 . . . . . . . . 6292 1 748 . 1 1 71 71 LEU N N 15 122.8 0.1 . 1 . . . . . . . . 6292 1 749 . 1 1 72 72 GLU H H 1 8.56 0.01 . 1 . . . . . . . . 6292 1 750 . 1 1 72 72 GLU HA H 1 4.46 0.01 . 1 . . . . . . . . 6292 1 751 . 1 1 72 72 GLU HB2 H 1 2.14 0.01 . 2 . . . . . . . . 6292 1 752 . 1 1 72 72 GLU HG2 H 1 2.32 0.01 . 2 . . . . . . . . 6292 1 753 . 1 1 72 72 GLU C C 13 177.1 0.1 . 1 . . . . . . . . 6292 1 754 . 1 1 72 72 GLU CA C 13 55.66 0.05 . 1 . . . . . . . . 6292 1 755 . 1 1 72 72 GLU CB C 13 31.52 0.05 . 1 . . . . . . . . 6292 1 756 . 1 1 72 72 GLU CG C 13 36.48 0.05 . 1 . . . . . . . . 6292 1 757 . 1 1 72 72 GLU N N 15 119.8 0.1 . 1 . . . . . . . . 6292 1 758 . 1 1 73 73 ARG H H 1 8.78 0.01 . 1 . . . . . . . . 6292 1 759 . 1 1 73 73 ARG HA H 1 3.61 0.01 . 1 . . . . . . . . 6292 1 760 . 1 1 73 73 ARG HB2 H 1 1.73 0.01 . 2 . . . . . . . . 6292 1 761 . 1 1 73 73 ARG HG2 H 1 1.60 0.01 . 2 . . . . . . . . 6292 1 762 . 1 1 73 73 ARG HG3 H 1 1.63 0.01 . 2 . . . . . . . . 6292 1 763 . 1 1 73 73 ARG HD2 H 1 3.11 0.01 . 2 . . . . . . . . 6292 1 764 . 1 1 73 73 ARG C C 13 175.1 0.1 . 1 . . . . . . . . 6292 1 765 . 1 1 73 73 ARG CA C 13 59.29 0.05 . 1 . . . . . . . . 6292 1 766 . 1 1 73 73 ARG CB C 13 30.10 0.05 . 1 . . . . . . . . 6292 1 767 . 1 1 73 73 ARG CG C 13 26.83 0.05 . 1 . . . . . . . . 6292 1 768 . 1 1 73 73 ARG CD C 13 43.22 0.05 . 1 . . . . . . . . 6292 1 769 . 1 1 73 73 ARG N N 15 120.4 0.1 . 1 . . . . . . . . 6292 1 770 . 1 1 74 74 GLY H H 1 7.87 0.01 . 1 . . . . . . . . 6292 1 771 . 1 1 74 74 GLY HA2 H 1 4.16 0.01 . 2 . . . . . . . . 6292 1 772 . 1 1 74 74 GLY HA3 H 1 3.64 0.01 . 2 . . . . . . . . 6292 1 773 . 1 1 74 74 GLY C C 13 176.3 0.1 . 1 . . . . . . . . 6292 1 774 . 1 1 74 74 GLY CA C 13 45.1 0.05 . 1 . . . . . . . . 6292 1 775 . 1 1 74 74 GLY N N 15 102.0 0.1 . 1 . . . . . . . . 6292 1 776 . 1 1 75 75 GLY H H 1 8.00 0.01 . 1 . . . . . . . . 6292 1 777 . 1 1 75 75 GLY HA2 H 1 4.26 0.01 . 2 . . . . . . . . 6292 1 778 . 1 1 75 75 GLY HA3 H 1 3.50 0.01 . 2 . . . . . . . . 6292 1 779 . 1 1 75 75 GLY C C 13 174.2 0.1 . 1 . . . . . . . . 6292 1 780 . 1 1 75 75 GLY CA C 13 45.44 0.05 . 1 . . . . . . . . 6292 1 781 . 1 1 75 75 GLY N N 15 105.5 0.1 . 1 . . . . . . . . 6292 1 782 . 1 1 76 76 LEU H H 1 8.25 0.01 . 1 . . . . . . . . 6292 1 783 . 1 1 76 76 LEU HA H 1 4.20 0.01 . 1 . . . . . . . . 6292 1 784 . 1 1 76 76 LEU HB2 H 1 1.39 0.01 . 2 . . . . . . . . 6292 1 785 . 1 1 76 76 LEU HB3 H 1 1.60 0.01 . 2 . . . . . . . . 6292 1 786 . 1 1 76 76 LEU HG H 1 1.49 0.01 . 1 . . . . . . . . 6292 1 787 . 1 1 76 76 LEU HD11 H 1 0.83 0.01 . 2 . . . . . . . . 6292 1 788 . 1 1 76 76 LEU HD12 H 1 0.83 0.01 . 2 . . . . . . . . 6292 1 789 . 1 1 76 76 LEU HD13 H 1 0.83 0.01 . 2 . . . . . . . . 6292 1 790 . 1 1 76 76 LEU HD21 H 1 0.76 0.01 . 2 . . . . . . . . 6292 1 791 . 1 1 76 76 LEU HD22 H 1 0.76 0.01 . 2 . . . . . . . . 6292 1 792 . 1 1 76 76 LEU HD23 H 1 0.76 0.01 . 2 . . . . . . . . 6292 1 793 . 1 1 76 76 LEU C C 13 177.2 0.1 . 1 . . . . . . . . 6292 1 794 . 1 1 76 76 LEU CA C 13 55.88 0.05 . 1 . . . . . . . . 6292 1 795 . 1 1 76 76 LEU CB C 13 41.95 0.05 . 1 . . . . . . . . 6292 1 796 . 1 1 76 76 LEU CG C 13 26.98 0.05 . 1 . . . . . . . . 6292 1 797 . 1 1 76 76 LEU CD1 C 13 24.74 0.05 . 2 . . . . . . . . 6292 1 798 . 1 1 76 76 LEU CD2 C 13 23.97 0.05 . 2 . . . . . . . . 6292 1 799 . 1 1 76 76 LEU N N 15 122.6 0.1 . 1 . . . . . . . . 6292 1 800 . 1 1 77 77 THR H H 1 8.72 0.01 . 1 . . . . . . . . 6292 1 801 . 1 1 77 77 THR HA H 1 4.04 0.01 . 1 . . . . . . . . 6292 1 802 . 1 1 77 77 THR HB H 1 4.09 0.01 . 1 . . . . . . . . 6292 1 803 . 1 1 77 77 THR HG21 H 1 1.03 0.01 . 1 . . . . . . . . 6292 1 804 . 1 1 77 77 THR HG22 H 1 1.03 0.01 . 1 . . . . . . . . 6292 1 805 . 1 1 77 77 THR HG23 H 1 1.03 0.01 . 1 . . . . . . . . 6292 1 806 . 1 1 77 77 THR C C 13 174.7 0.1 . 1 . . . . . . . . 6292 1 807 . 1 1 77 77 THR CA C 13 64.69 0.05 . 1 . . . . . . . . 6292 1 808 . 1 1 77 77 THR CB C 13 68.92 0.05 . 1 . . . . . . . . 6292 1 809 . 1 1 77 77 THR CG2 C 13 22.36 0.05 . 1 . . . . . . . . 6292 1 810 . 1 1 77 77 THR N N 15 120.3 0.1 . 1 . . . . . . . . 6292 1 811 . 1 1 78 78 LEU H H 1 9.38 0.01 . 1 . . . . . . . . 6292 1 812 . 1 1 78 78 LEU HA H 1 4.38 0.01 . 1 . . . . . . . . 6292 1 813 . 1 1 78 78 LEU HB2 H 1 1.41 0.01 . 2 . . . . . . . . 6292 1 814 . 1 1 78 78 LEU HG H 1 1.62 0.01 . 1 . . . . . . . . 6292 1 815 . 1 1 78 78 LEU HD11 H 1 0.81 0.01 . 2 . . . . . . . . 6292 1 816 . 1 1 78 78 LEU HD12 H 1 0.81 0.01 . 2 . . . . . . . . 6292 1 817 . 1 1 78 78 LEU HD13 H 1 0.81 0.01 . 2 . . . . . . . . 6292 1 818 . 1 1 78 78 LEU HD21 H 1 0.64 0.01 . 2 . . . . . . . . 6292 1 819 . 1 1 78 78 LEU HD22 H 1 0.64 0.01 . 2 . . . . . . . . 6292 1 820 . 1 1 78 78 LEU HD23 H 1 0.64 0.01 . 2 . . . . . . . . 6292 1 821 . 1 1 78 78 LEU C C 13 176.6 0.1 . 1 . . . . . . . . 6292 1 822 . 1 1 78 78 LEU CA C 13 55.33 0.05 . 1 . . . . . . . . 6292 1 823 . 1 1 78 78 LEU CB C 13 45.02 0.05 . 1 . . . . . . . . 6292 1 824 . 1 1 78 78 LEU CG C 13 26.41 0.05 . 1 . . . . . . . . 6292 1 825 . 1 1 78 78 LEU CD1 C 13 22.98 0.05 . 2 . . . . . . . . 6292 1 826 . 1 1 78 78 LEU N N 15 128.4 0.1 . 1 . . . . . . . . 6292 1 827 . 1 1 79 79 MET H H 1 7.48 0.01 . 1 . . . . . . . . 6292 1 828 . 1 1 79 79 MET HA H 1 4.35 0.01 . 1 . . . . . . . . 6292 1 829 . 1 1 79 79 MET HB2 H 1 1.60 0.01 . 2 . . . . . . . . 6292 1 830 . 1 1 79 79 MET HB3 H 1 2.20 0.01 . 2 . . . . . . . . 6292 1 831 . 1 1 79 79 MET HG2 H 1 2.10 0.01 . 2 . . . . . . . . 6292 1 832 . 1 1 79 79 MET HG3 H 1 2.34 0.01 . 2 . . . . . . . . 6292 1 833 . 1 1 79 79 MET C C 13 171.8 0.1 . 1 . . . . . . . . 6292 1 834 . 1 1 79 79 MET CA C 13 55.90 0.05 . 1 . . . . . . . . 6292 1 835 . 1 1 79 79 MET CB C 13 37.78 0.05 . 1 . . . . . . . . 6292 1 836 . 1 1 79 79 MET CG C 13 31.52 0.05 . 1 . . . . . . . . 6292 1 837 . 1 1 79 79 MET N N 15 117.0 0.1 . 1 . . . . . . . . 6292 1 838 . 1 1 80 80 LEU H H 1 8.77 0.01 . 1 . . . . . . . . 6292 1 839 . 1 1 80 80 LEU HA H 1 4.97 0.01 . 1 . . . . . . . . 6292 1 840 . 1 1 80 80 LEU HB2 H 1 1.75 0.01 . 2 . . . . . . . . 6292 1 841 . 1 1 80 80 LEU HB3 H 1 1.23 0.01 . 2 . . . . . . . . 6292 1 842 . 1 1 80 80 LEU HG H 1 1.29 0.01 . 1 . . . . . . . . 6292 1 843 . 1 1 80 80 LEU HD11 H 1 0.80 0.01 . 2 . . . . . . . . 6292 1 844 . 1 1 80 80 LEU HD12 H 1 0.80 0.01 . 2 . . . . . . . . 6292 1 845 . 1 1 80 80 LEU HD13 H 1 0.80 0.01 . 2 . . . . . . . . 6292 1 846 . 1 1 80 80 LEU HD21 H 1 0.74 0.01 . 2 . . . . . . . . 6292 1 847 . 1 1 80 80 LEU HD22 H 1 0.74 0.01 . 2 . . . . . . . . 6292 1 848 . 1 1 80 80 LEU HD23 H 1 0.74 0.01 . 2 . . . . . . . . 6292 1 849 . 1 1 80 80 LEU C C 13 175.1 0.01 . 1 . . . . . . . . 6292 1 850 . 1 1 80 80 LEU CA C 13 53.94 0.05 . 1 . . . . . . . . 6292 1 851 . 1 1 80 80 LEU CB C 13 44.13 0.05 . 1 . . . . . . . . 6292 1 852 . 1 1 80 80 LEU CG C 13 27.82 0.05 . 1 . . . . . . . . 6292 1 853 . 1 1 80 80 LEU CD1 C 13 25.15 0.05 . 2 . . . . . . . . 6292 1 854 . 1 1 80 80 LEU CD2 C 13 23.85 0.05 . 2 . . . . . . . . 6292 1 855 . 1 1 80 80 LEU N N 15 130.2 0.1 . 1 . . . . . . . . 6292 1 856 . 1 1 81 81 LEU H H 1 9.21 0.01 . 1 . . . . . . . . 6292 1 857 . 1 1 81 81 LEU HA H 1 4.44 0.01 . 1 . . . . . . . . 6292 1 858 . 1 1 81 81 LEU HB2 H 1 1.58 0.01 . 2 . . . . . . . . 6292 1 859 . 1 1 81 81 LEU HB3 H 1 1.34 0.01 . 2 . . . . . . . . 6292 1 860 . 1 1 81 81 LEU HG H 1 1.23 0.01 . 1 . . . . . . . . 6292 1 861 . 1 1 81 81 LEU HD11 H 1 0.66 0.01 . 2 . . . . . . . . 6292 1 862 . 1 1 81 81 LEU HD12 H 1 0.66 0.01 . 2 . . . . . . . . 6292 1 863 . 1 1 81 81 LEU HD13 H 1 0.66 0.01 . 2 . . . . . . . . 6292 1 864 . 1 1 81 81 LEU C C 13 175.6 0.1 . 1 . . . . . . . . 6292 1 865 . 1 1 81 81 LEU CA C 13 55.14 0.05 . 1 . . . . . . . . 6292 1 866 . 1 1 81 81 LEU CB C 13 43.27 0.05 . 1 . . . . . . . . 6292 1 867 . 1 1 81 81 LEU CG C 13 28.33 0.05 . 1 . . . . . . . . 6292 1 868 . 1 1 81 81 LEU CD1 C 13 27.08 0.05 . 2 . . . . . . . . 6292 1 869 . 1 1 81 81 LEU N N 15 126.3 0.1 . 1 . . . . . . . . 6292 1 870 . 1 1 82 82 GLY H H 1 8.60 0.01 . 1 . . . . . . . . 6292 1 871 . 1 1 82 82 GLY HA2 H 1 4.61 0.01 . 2 . . . . . . . . 6292 1 872 . 1 1 82 82 GLY HA3 H 1 3.81 0.01 . 2 . . . . . . . . 6292 1 873 . 1 1 82 82 GLY C C 13 174.5 0.1 . 1 . . . . . . . . 6292 1 874 . 1 1 82 82 GLY CA C 13 44.90 0.05 . 1 . . . . . . . . 6292 1 875 . 1 1 82 82 GLY N N 15 111.6 0.1 . 1 . . . . . . . . 6292 1 876 . 1 1 83 83 ARG H H 1 8.69 0.01 . 1 . . . . . . . . 6292 1 877 . 1 1 83 83 ARG HA H 1 3.37 0.01 . 1 . . . . . . . . 6292 1 878 . 1 1 83 83 ARG HB2 H 1 1.34 0.01 . 2 . . . . . . . . 6292 1 879 . 1 1 83 83 ARG HB3 H 1 1.59 0.01 . 2 . . . . . . . . 6292 1 880 . 1 1 83 83 ARG HG2 H 1 1.06 0.01 . 2 . . . . . . . . 6292 1 881 . 1 1 83 83 ARG HG3 H 1 0.94 0.01 . 2 . . . . . . . . 6292 1 882 . 1 1 83 83 ARG HD2 H 1 3.03 0.01 . 2 . . . . . . . . 6292 1 883 . 1 1 83 83 ARG HD3 H 1 3.01 0.01 . 2 . . . . . . . . 6292 1 884 . 1 1 83 83 ARG C C 13 176.0 0.1 . 1 . . . . . . . . 6292 1 885 . 1 1 83 83 ARG CA C 13 58.00 0.05 . 1 . . . . . . . . 6292 1 886 . 1 1 83 83 ARG CB C 13 30.97 0.05 . 1 . . . . . . . . 6292 1 887 . 1 1 83 83 ARG CG C 13 27.46 0.05 . 1 . . . . . . . . 6292 1 888 . 1 1 83 83 ARG CD C 13 43.61 0.05 . 1 . . . . . . . . 6292 1 889 . 1 1 83 83 ARG N N 15 125.80 0.1 . 1 . . . . . . . . 6292 1 890 . 1 1 84 84 GLN H H 1 9.30 0.01 . 1 . . . . . . . . 6292 1 891 . 1 1 84 84 GLN HA H 1 4.43 0.01 . 1 . . . . . . . . 6292 1 892 . 1 1 84 84 GLN HB2 H 1 2.03 0.01 . 2 . . . . . . . . 6292 1 893 . 1 1 84 84 GLN HB3 H 1 1.69 0.01 . 2 . . . . . . . . 6292 1 894 . 1 1 84 84 GLN HG2 H 1 2.16 0.01 . 2 . . . . . . . . 6292 1 895 . 1 1 84 84 GLN C C 13 175.8 0.1 . 1 . . . . . . . . 6292 1 896 . 1 1 84 84 GLN CA C 13 55.32 0.05 . 1 . . . . . . . . 6292 1 897 . 1 1 84 84 GLN CB C 13 29.76 0.05 . 1 . . . . . . . . 6292 1 898 . 1 1 84 84 GLN CG C 13 33.76 0.05 . 1 . . . . . . . . 6292 1 899 . 1 1 84 84 GLN N N 15 129.1 0.1 . 1 . . . . . . . . 6292 1 900 . 1 1 85 85 GLY H H 1 8.29 0.01 . 1 . . . . . . . . 6292 1 901 . 1 1 85 85 GLY HA2 H 1 3.99 0.01 . 2 . . . . . . . . 6292 1 902 . 1 1 85 85 GLY C C 13 172.2 0.1 . 1 . . . . . . . . 6292 1 903 . 1 1 85 85 GLY CA C 13 44.54 0.05 . 1 . . . . . . . . 6292 1 904 . 1 1 85 85 GLY N N 15 108.3 0.1 . 1 . . . . . . . . 6292 1 905 . 1 1 86 86 GLU H H 1 8.65 0.01 . 1 . . . . . . . . 6292 1 906 . 1 1 86 86 GLU HA H 1 4.11 0.01 . 1 . . . . . . . . 6292 1 907 . 1 1 86 86 GLU HB2 H 1 1.94 0.01 . 2 . . . . . . . . 6292 1 908 . 1 1 86 86 GLU HG2 H 1 2.23 0.01 . 2 . . . . . . . . 6292 1 909 . 1 1 86 86 GLU HG3 H 1 2.20 0.01 . 2 . . . . . . . . 6292 1 910 . 1 1 86 86 GLU C C 13 178.4 0.1 . 1 . . . . . . . . 6292 1 911 . 1 1 86 86 GLU CA C 13 57.93 0.05 . 1 . . . . . . . . 6292 1 912 . 1 1 86 86 GLU CB C 13 29.18 0.05 . 1 . . . . . . . . 6292 1 913 . 1 1 86 86 GLU CG C 13 35.90 0.05 . 1 . . . . . . . . 6292 1 914 . 1 1 86 86 GLU N N 15 120.5 0.1 . 1 . . . . . . . . 6292 1 915 . 1 1 87 87 GLY H H 1 9.04 0.01 . 1 . . . . . . . . 6292 1 916 . 1 1 87 87 GLY HA2 H 1 3.91 0.01 . 2 . . . . . . . . 6292 1 917 . 1 1 87 87 GLY HA3 H 1 4.00 0.01 . 2 . . . . . . . . 6292 1 918 . 1 1 87 87 GLY C C 13 173.3 0.1 . 1 . . . . . . . . 6292 1 919 . 1 1 87 87 GLY CA C 13 46.88 0.05 . 1 . . . . . . . . 6292 1 920 . 1 1 87 87 GLY N N 15 112.9 0.1 . 1 . . . . . . . . 6292 1 921 . 1 1 88 88 ASP H H 1 7.48 0.01 . 1 . . . . . . . . 6292 1 922 . 1 1 88 88 ASP HA H 1 5.24 0.01 . 1 . . . . . . . . 6292 1 923 . 1 1 88 88 ASP HB2 H 1 2.35 0.01 . 2 . . . . . . . . 6292 1 924 . 1 1 88 88 ASP C C 13 173.3 0.1 . 1 . . . . . . . . 6292 1 925 . 1 1 88 88 ASP CA C 13 53.99 0.05 . 1 . . . . . . . . 6292 1 926 . 1 1 88 88 ASP CB C 13 42.34 0.05 . 1 . . . . . . . . 6292 1 927 . 1 1 88 88 ASP N N 15 119.3 0.1 . 1 . . . . . . . . 6292 1 928 . 1 1 89 89 TYR H H 1 9.15 0.01 . 1 . . . . . . . . 6292 1 929 . 1 1 89 89 TYR HA H 1 5.20 0.01 . 1 . . . . . . . . 6292 1 930 . 1 1 89 89 TYR HB2 H 1 2.86 0.01 . 2 . . . . . . . . 6292 1 931 . 1 1 89 89 TYR HB3 H 1 2.53 0.01 . 2 . . . . . . . . 6292 1 932 . 1 1 89 89 TYR HD1 H 1 7.14 0.01 . 1 . . . . . . . . 6292 1 933 . 1 1 89 89 TYR HE1 H 1 6.80 0.01 . 1 . . . . . . . . 6292 1 934 . 1 1 89 89 TYR C C 13 174.8 0.1 . 1 . . . . . . . . 6292 1 935 . 1 1 89 89 TYR CA C 13 56.38 0.05 . 1 . . . . . . . . 6292 1 936 . 1 1 89 89 TYR CB C 13 40.99 0.05 . 1 . . . . . . . . 6292 1 937 . 1 1 89 89 TYR N N 15 125.2 0.1 . 1 . . . . . . . . 6292 1 938 . 1 1 90 90 ARG H H 1 9.25 0.01 . 1 . . . . . . . . 6292 1 939 . 1 1 90 90 ARG HA H 1 5.84 0.01 . 1 . . . . . . . . 6292 1 940 . 1 1 90 90 ARG HB2 H 1 1.59 0.01 . 2 . . . . . . . . 6292 1 941 . 1 1 90 90 ARG HB3 H 1 1.69 0.01 . 2 . . . . . . . . 6292 1 942 . 1 1 90 90 ARG HG2 H 1 1.66 0.01 . 2 . . . . . . . . 6292 1 943 . 1 1 90 90 ARG HG3 H 1 1.50 0.01 . 2 . . . . . . . . 6292 1 944 . 1 1 90 90 ARG HD2 H 1 2.93 0.01 . 2 . . . . . . . . 6292 1 945 . 1 1 90 90 ARG HD3 H 1 2.80 0.01 . 2 . . . . . . . . 6292 1 946 . 1 1 90 90 ARG C C 13 176.2 0.1 . 1 . . . . . . . . 6292 1 947 . 1 1 90 90 ARG CA C 13 54.80 0.05 . 1 . . . . . . . . 6292 1 948 . 1 1 90 90 ARG CB C 13 36.41 0.05 . 1 . . . . . . . . 6292 1 949 . 1 1 90 90 ARG CG C 13 27.53 0.05 . 1 . . . . . . . . 6292 1 950 . 1 1 90 90 ARG CD C 13 43.58 0.05 . 1 . . . . . . . . 6292 1 951 . 1 1 90 90 ARG N N 15 118.1 0.1 . 1 . . . . . . . . 6292 1 952 . 1 1 91 91 VAL H H 1 8.68 0.01 . 1 . . . . . . . . 6292 1 953 . 1 1 91 91 VAL HA H 1 4.56 0.01 . 1 . . . . . . . . 6292 1 954 . 1 1 91 91 VAL HB H 1 2.20 0.01 . 1 . . . . . . . . 6292 1 955 . 1 1 91 91 VAL HG11 H 1 1.15 0.01 . 2 . . . . . . . . 6292 1 956 . 1 1 91 91 VAL HG12 H 1 1.15 0.01 . 2 . . . . . . . . 6292 1 957 . 1 1 91 91 VAL HG13 H 1 1.15 0.01 . 2 . . . . . . . . 6292 1 958 . 1 1 91 91 VAL HG21 H 1 0.85 0.01 . 2 . . . . . . . . 6292 1 959 . 1 1 91 91 VAL HG22 H 1 0.85 0.01 . 2 . . . . . . . . 6292 1 960 . 1 1 91 91 VAL HG23 H 1 0.85 0.01 . 2 . . . . . . . . 6292 1 961 . 1 1 91 91 VAL C C 13 172.4 0.1 . 1 . . . . . . . . 6292 1 962 . 1 1 91 91 VAL CA C 13 61.03 0.05 . 1 . . . . . . . . 6292 1 963 . 1 1 91 91 VAL CB C 13 35.70 0.05 . 1 . . . . . . . . 6292 1 964 . 1 1 91 91 VAL CG1 C 13 22.24 0.05 . 2 . . . . . . . . 6292 1 965 . 1 1 91 91 VAL CG2 C 13 20.18 0.05 . 2 . . . . . . . . 6292 1 966 . 1 1 91 91 VAL N N 15 121.1 0.05 . 1 . . . . . . . . 6292 1 967 . 1 1 92 92 GLN H H 1 8.54 0.01 . 1 . . . . . . . . 6292 1 968 . 1 1 92 92 GLN HA H 1 4.58 0.01 . 1 . . . . . . . . 6292 1 969 . 1 1 92 92 GLN HB2 H 1 2.09 0.01 . 2 . . . . . . . . 6292 1 970 . 1 1 92 92 GLN HB3 H 1 1.97 0.01 . 2 . . . . . . . . 6292 1 971 . 1 1 92 92 GLN HG2 H 1 2.38 0.01 . 2 . . . . . . . . 6292 1 972 . 1 1 92 92 GLN HG3 H 1 2.30 0.01 . 2 . . . . . . . . 6292 1 973 . 1 1 92 92 GLN C C 13 175.8 0.1 . 1 . . . . . . . . 6292 1 974 . 1 1 92 92 GLN CA C 13 55.40 0.05 . 1 . . . . . . . . 6292 1 975 . 1 1 92 92 GLN CB C 13 29.57 0.05 . 1 . . . . . . . . 6292 1 976 . 1 1 92 92 GLN CG C 13 33.85 0.05 . 1 . . . . . . . . 6292 1 977 . 1 1 92 92 GLN N N 15 126.40 0.1 . 1 . . . . . . . . 6292 1 978 . 1 1 93 93 LYS H H 1 8.70 0.01 . 1 . . . . . . . . 6292 1 979 . 1 1 93 93 LYS HA H 1 4.41 0.01 . 1 . . . . . . . . 6292 1 980 . 1 1 93 93 LYS HB2 H 1 1.86 0.01 . 2 . . . . . . . . 6292 1 981 . 1 1 93 93 LYS HB3 H 1 1.65 0.01 . 2 . . . . . . . . 6292 1 982 . 1 1 93 93 LYS HG2 H 1 1.34 0.01 . 2 . . . . . . . . 6292 1 983 . 1 1 93 93 LYS HD2 H 1 1.53 0.01 . 2 . . . . . . . . 6292 1 984 . 1 1 93 93 LYS HE2 H 1 2.97 0.01 . 2 . . . . . . . . 6292 1 985 . 1 1 93 93 LYS C C 13 177.6 0.1 . 1 . . . . . . . . 6292 1 986 . 1 1 93 93 LYS CA C 13 55.76 0.05 . 1 . . . . . . . . 6292 1 987 . 1 1 93 93 LYS CB C 13 33.85 0.05 . 1 . . . . . . . . 6292 1 988 . 1 1 93 93 LYS CG C 13 25.05 0.05 . 1 . . . . . . . . 6292 1 989 . 1 1 93 93 LYS CD C 13 28.95 0.05 . 1 . . . . . . . . 6292 1 990 . 1 1 93 93 LYS CE C 13 41.94 0.05 . 1 . . . . . . . . 6292 1 991 . 1 1 93 93 LYS N N 15 125.80 0.1 . 1 . . . . . . . . 6292 1 992 . 1 1 94 94 GLY H H 1 8.90 0.01 . 1 . . . . . . . . 6292 1 993 . 1 1 94 94 GLY HA2 H 1 3.85 0.01 . 2 . . . . . . . . 6292 1 994 . 1 1 94 94 GLY HA3 H 1 4.03 0.01 . 2 . . . . . . . . 6292 1 995 . 1 1 94 94 GLY C C 13 174.2 0.1 . 1 . . . . . . . . 6292 1 996 . 1 1 94 94 GLY CA C 13 46.50 0.05 . 1 . . . . . . . . 6292 1 997 . 1 1 94 94 GLY N N 15 111.3 0.1 . 1 . . . . . . . . 6292 1 998 . 1 1 95 95 ASP H H 1 8.13 0.01 . 1 . . . . . . . . 6292 1 999 . 1 1 95 95 ASP HA H 1 4.62 0.01 . 1 . . . . . . . . 6292 1 1000 . 1 1 95 95 ASP HB2 H 1 2.89 0.01 . 2 . . . . . . . . 6292 1 1001 . 1 1 95 95 ASP HB3 H 1 2.63 0.01 . 2 . . . . . . . . 6292 1 1002 . 1 1 95 95 ASP C C 13 176.7 0.1 . 1 . . . . . . . . 6292 1 1003 . 1 1 95 95 ASP CA C 13 53.54 0.05 . 1 . . . . . . . . 6292 1 1004 . 1 1 95 95 ASP CB C 13 40.39 0.05 . 1 . . . . . . . . 6292 1 1005 . 1 1 95 95 ASP N N 15 118.8 0.1 . 1 . . . . . . . . 6292 1 1006 . 1 1 96 96 GLY H H 1 8.07 0.01 . 1 . . . . . . . . 6292 1 1007 . 1 1 96 96 GLY HA2 H 1 4.26 0.01 . 2 . . . . . . . . 6292 1 1008 . 1 1 96 96 GLY HA3 H 1 3.76 0.01 . 2 . . . . . . . . 6292 1 1009 . 1 1 96 96 GLY C C 13 174.6 0.1 . 1 . . . . . . . . 6292 1 1010 . 1 1 96 96 GLY CA C 13 45.09 0.05 . 1 . . . . . . . . 6292 1 1011 . 1 1 96 96 GLY N N 15 108.8 0.1 . 1 . . . . . . . . 6292 1 1012 . 1 1 97 97 GLY H H 1 8.31 0.01 . 1 . . . . . . . . 6292 1 1013 . 1 1 97 97 GLY HA2 H 1 3.89 0.01 . 2 . . . . . . . . 6292 1 1014 . 1 1 97 97 GLY HA3 H 1 4.22 0.01 . 2 . . . . . . . . 6292 1 1015 . 1 1 97 97 GLY C C 13 173.1 0.1 . 1 . . . . . . . . 6292 1 1016 . 1 1 97 97 GLY CA C 13 44.99 0.1 . 1 . . . . . . . . 6292 1 1017 . 1 1 97 97 GLY N N 15 109.2 0.1 . 1 . . . . . . . . 6292 1 1018 . 1 1 98 98 GLN H H 1 8.99 0.01 . 1 . . . . . . . . 6292 1 1019 . 1 1 98 98 GLN HA H 1 4.89 0.01 . 1 . . . . . . . . 6292 1 1020 . 1 1 98 98 GLN HB2 H 1 1.90 0.01 . 2 . . . . . . . . 6292 1 1021 . 1 1 98 98 GLN HB3 H 1 1.85 0.01 . 2 . . . . . . . . 6292 1 1022 . 1 1 98 98 GLN HG2 H 1 2.11 0.01 . 2 . . . . . . . . 6292 1 1023 . 1 1 98 98 GLN HG3 H 1 2.22 0.01 . 2 . . . . . . . . 6292 1 1024 . 1 1 98 98 GLN C C 13 174.9 0.1 . 1 . . . . . . . . 6292 1 1025 . 1 1 98 98 GLN CA C 13 55.19 0.05 . 1 . . . . . . . . 6292 1 1026 . 1 1 98 98 GLN CB C 13 31.93 0.05 . 1 . . . . . . . . 6292 1 1027 . 1 1 98 98 GLN CG C 13 34.37 0.05 . 1 . . . . . . . . 6292 1 1028 . 1 1 98 98 GLN N N 15 119.8 0.1 . 1 . . . . . . . . 6292 1 1029 . 1 1 99 99 LEU H H 1 8.58 0.01 . 1 . . . . . . . . 6292 1 1030 . 1 1 99 99 LEU HA H 1 4.68 0.01 . 1 . . . . . . . . 6292 1 1031 . 1 1 99 99 LEU HB2 H 1 0.73 0.01 . 2 . . . . . . . . 6292 1 1032 . 1 1 99 99 LEU HB3 H 1 1.47 0.01 . 2 . . . . . . . . 6292 1 1033 . 1 1 99 99 LEU HG H 1 1.00 0.01 . 1 . . . . . . . . 6292 1 1034 . 1 1 99 99 LEU HD11 H 1 0.19 0.01 . 2 . . . . . . . . 6292 1 1035 . 1 1 99 99 LEU HD12 H 1 0.19 0.01 . 2 . . . . . . . . 6292 1 1036 . 1 1 99 99 LEU HD13 H 1 0.19 0.01 . 2 . . . . . . . . 6292 1 1037 . 1 1 99 99 LEU HD21 H 1 -0.46 0.01 . 2 . . . . . . . . 6292 1 1038 . 1 1 99 99 LEU HD22 H 1 -0.46 0.01 . 2 . . . . . . . . 6292 1 1039 . 1 1 99 99 LEU HD23 H 1 -0.46 0.01 . 2 . . . . . . . . 6292 1 1040 . 1 1 99 99 LEU C C 13 175.9 0.1 . 1 . . . . . . . . 6292 1 1041 . 1 1 99 99 LEU CA C 13 53.79 0.05 . 1 . . . . . . . . 6292 1 1042 . 1 1 99 99 LEU CB C 13 42.81 0.05 . 1 . . . . . . . . 6292 1 1043 . 1 1 99 99 LEU CG C 13 26.94 0.05 . 1 . . . . . . . . 6292 1 1044 . 1 1 99 99 LEU CD1 C 13 24.73 0.05 . 2 . . . . . . . . 6292 1 1045 . 1 1 99 99 LEU CD2 C 13 21.81 0.05 . 2 . . . . . . . . 6292 1 1046 . 1 1 99 99 LEU N N 15 122.7 0.1 . 1 . . . . . . . . 6292 1 1047 . 1 1 100 100 VAL H H 1 8.63 0.01 . 1 . . . . . . . . 6292 1 1048 . 1 1 100 100 VAL HA H 1 4.56 0.01 . 1 . . . . . . . . 6292 1 1049 . 1 1 100 100 VAL HB H 1 1.87 0.01 . 1 . . . . . . . . 6292 1 1050 . 1 1 100 100 VAL HG11 H 1 0.82 0.01 . 2 . . . . . . . . 6292 1 1051 . 1 1 100 100 VAL HG12 H 1 0.82 0.01 . 2 . . . . . . . . 6292 1 1052 . 1 1 100 100 VAL HG13 H 1 0.82 0.01 . 2 . . . . . . . . 6292 1 1053 . 1 1 100 100 VAL HG21 H 1 0.71 0.01 . 2 . . . . . . . . 6292 1 1054 . 1 1 100 100 VAL HG22 H 1 0.71 0.01 . 2 . . . . . . . . 6292 1 1055 . 1 1 100 100 VAL HG23 H 1 0.71 0.01 . 2 . . . . . . . . 6292 1 1056 . 1 1 100 100 VAL C C 13 174.1 0.1 . 1 . . . . . . . . 6292 1 1057 . 1 1 100 100 VAL CA C 13 61.60 0.05 . 1 . . . . . . . . 6292 1 1058 . 1 1 100 100 VAL CB C 13 34.76 0.05 . 1 . . . . . . . . 6292 1 1059 . 1 1 100 100 VAL CG1 C 13 20.69 0.05 . 1 . . . . . . . . 6292 1 1060 . 1 1 100 100 VAL CG2 C 13 20.69 0.05 . 1 . . . . . . . . 6292 1 1061 . 1 1 100 100 VAL N N 15 120.3 0.1 . 1 . . . . . . . . 6292 1 1062 . 1 1 101 101 LEU H H 1 9.86 0.01 . 1 . . . . . . . . 6292 1 1063 . 1 1 101 101 LEU HA H 1 5.72 0.01 . 1 . . . . . . . . 6292 1 1064 . 1 1 101 101 LEU HB2 H 1 2.12 0.01 . 2 . . . . . . . . 6292 1 1065 . 1 1 101 101 LEU HB3 H 1 1.08 0.01 . 2 . . . . . . . . 6292 1 1066 . 1 1 101 101 LEU HG H 1 1.68 0.01 . 1 . . . . . . . . 6292 1 1067 . 1 1 101 101 LEU HD11 H 1 0.60 0.01 . 2 . . . . . . . . 6292 1 1068 . 1 1 101 101 LEU HD12 H 1 0.60 0.01 . 2 . . . . . . . . 6292 1 1069 . 1 1 101 101 LEU HD13 H 1 0.60 0.01 . 2 . . . . . . . . 6292 1 1070 . 1 1 101 101 LEU HD21 H 1 -0.02 0.01 . 2 . . . . . . . . 6292 1 1071 . 1 1 101 101 LEU HD22 H 1 -0.02 0.01 . 2 . . . . . . . . 6292 1 1072 . 1 1 101 101 LEU HD23 H 1 -0.02 0.01 . 2 . . . . . . . . 6292 1 1073 . 1 1 101 101 LEU C C 13 174.9 0.1 . 1 . . . . . . . . 6292 1 1074 . 1 1 101 101 LEU CA C 13 53.46 0.05 . 1 . . . . . . . . 6292 1 1075 . 1 1 101 101 LEU CB C 13 45.02 0.05 . 1 . . . . . . . . 6292 1 1076 . 1 1 101 101 LEU CG C 13 26.55 0.05 . 1 . . . . . . . . 6292 1 1077 . 1 1 101 101 LEU CD1 C 13 24.86 0.05 . 2 . . . . . . . . 6292 1 1078 . 1 1 101 101 LEU CD2 C 13 26.55 0.05 . 2 . . . . . . . . 6292 1 1079 . 1 1 101 101 LEU N N 15 134.3 0.1 . 1 . . . . . . . . 6292 1 1080 . 1 1 102 102 ARG H H 1 9.05 0.01 . 1 . . . . . . . . 6292 1 1081 . 1 1 102 102 ARG HA H 1 5.61 0.01 . 1 . . . . . . . . 6292 1 1082 . 1 1 102 102 ARG HB2 H 1 1.80 0.01 . 2 . . . . . . . . 6292 1 1083 . 1 1 102 102 ARG HB3 H 1 1.65 0.01 . 2 . . . . . . . . 6292 1 1084 . 1 1 102 102 ARG HG2 H 1 1.64 0.01 . 2 . . . . . . . . 6292 1 1085 . 1 1 102 102 ARG HD2 H 1 3.09 0.01 . 2 . . . . . . . . 6292 1 1086 . 1 1 102 102 ARG C C 13 176.0 0.1 . 1 . . . . . . . . 6292 1 1087 . 1 1 102 102 ARG CA C 13 53.90 0.05 . 1 . . . . . . . . 6292 1 1088 . 1 1 102 102 ARG CB C 13 34.78 0.05 . 1 . . . . . . . . 6292 1 1089 . 1 1 102 102 ARG CG C 13 27.84 0.05 . 1 . . . . . . . . 6292 1 1090 . 1 1 102 102 ARG CD C 13 43.68 0.05 . 1 . . . . . . . . 6292 1 1091 . 1 1 102 102 ARG N N 15 124.20 0.1 . 1 . . . . . . . . 6292 1 1092 . 1 1 103 103 ARG H H 1 7.90 0.01 . 1 . . . . . . . . 6292 1 1093 . 1 1 103 103 ARG HA H 1 3.15 0.01 . 1 . . . . . . . . 6292 1 1094 . 1 1 103 103 ARG HB2 H 1 1.16 0.01 . 2 . . . . . . . . 6292 1 1095 . 1 1 103 103 ARG HG2 H 1 0.49 0.01 . 2 . . . . . . . . 6292 1 1096 . 1 1 103 103 ARG HG3 H 1 0.47 0.01 . 2 . . . . . . . . 6292 1 1097 . 1 1 103 103 ARG HD2 H 1 2.62 0.01 . 2 . . . . . . . . 6292 1 1098 . 1 1 103 103 ARG HD3 H 1 2.49 0.01 . 2 . . . . . . . . 6292 1 1099 . 1 1 103 103 ARG C C 13 176.7 0.1 . 1 . . . . . . . . 6292 1 1100 . 1 1 103 103 ARG CA C 13 57.10 0.05 . 1 . . . . . . . . 6292 1 1101 . 1 1 103 103 ARG CB C 13 30.1 0.05 . 1 . . . . . . . . 6292 1 1102 . 1 1 103 103 ARG CG C 13 26.98 0.05 . 1 . . . . . . . . 6292 1 1103 . 1 1 103 103 ARG CD C 13 43.18 0.05 . 1 . . . . . . . . 6292 1 1104 . 1 1 103 103 ARG N N 15 125.0 0.1 . 1 . . . . . . . . 6292 1 1105 . 1 1 104 104 ALA H H 1 8.36 0.01 . 1 . . . . . . . . 6292 1 1106 . 1 1 104 104 ALA HA H 1 4.27 0.01 . 1 . . . . . . . . 6292 1 1107 . 1 1 104 104 ALA HB1 H 1 1.18 0.01 . 1 . . . . . . . . 6292 1 1108 . 1 1 104 104 ALA HB2 H 1 1.18 0.01 . 1 . . . . . . . . 6292 1 1109 . 1 1 104 104 ALA HB3 H 1 1.18 0.01 . 1 . . . . . . . . 6292 1 1110 . 1 1 104 104 ALA C C 13 177.0 0.1 . 1 . . . . . . . . 6292 1 1111 . 1 1 104 104 ALA CA C 13 52.04 0.05 . 1 . . . . . . . . 6292 1 1112 . 1 1 104 104 ALA CB C 13 19.86 0.05 . 1 . . . . . . . . 6292 1 1113 . 1 1 104 104 ALA N N 15 128.0 0.1 . 1 . . . . . . . . 6292 1 1114 . 1 1 105 105 THR H H 1 8.13 0.01 . 1 . . . . . . . . 6292 1 1115 . 1 1 105 105 THR HA H 1 4.493 0.01 . 1 . . . . . . . . 6292 1 1116 . 1 1 105 105 THR HB H 1 4.123 0.01 . 1 . . . . . . . . 6292 1 1117 . 1 1 105 105 THR HG21 H 1 1.16 0.01 . 1 . . . . . . . . 6292 1 1118 . 1 1 105 105 THR HG22 H 1 1.16 0.01 . 1 . . . . . . . . 6292 1 1119 . 1 1 105 105 THR HG23 H 1 1.16 0.01 . 1 . . . . . . . . 6292 1 1120 . 1 1 105 105 THR CA C 13 59.35 0.05 . 1 . . . . . . . . 6292 1 1121 . 1 1 105 105 THR CB C 13 69.22 0.05 . 1 . . . . . . . . 6292 1 1122 . 1 1 105 105 THR CG2 C 13 21.58 0.05 . 1 . . . . . . . . 6292 1 1123 . 1 1 105 105 THR N N 15 116.3 0.1 . 1 . . . . . . . . 6292 1 stop_ save_