data_5680 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5680 _Entry.Title ; Letter to the Editor: Sequence-specific assignment and secondary structure determination of the 195-residue complex formed by the Mycobacterium tuberculosis proteins CFP-10 and ESAT-6. Towards an understanding of their role in tuberculosis pathogenesis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-01-31 _Entry.Accession_date 2003-01-31 _Entry.Last_release_date 2004-11-29 _Entry.Original_release_date 2004-11-29 _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 Philip Renshaw . S. . 5680 2 Vaclav Veverka . . . 5680 3 Geoff Kelly . . . 5680 4 Thomas Frenkiel . A. . 5680 5 Richard Williamson . A. . 5680 6 Stephen Gordon . V. . 5680 7 R. Hewinson . Glyn . 5680 8 Mark Carr . D. . 5680 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5680 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1141 5680 '13C chemical shifts' 533 5680 '15N chemical shifts' 194 5680 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-11-29 2003-01-31 original author . 5680 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5680 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequence-specific assignment and secondary structure determination of the 195-residue complex formed by the Mycobacterium tuberculosis proteins CFP-10 and ESAT-6. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 2 _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 225 _Citation.Page_last 226 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Philip Renshaw . S. . 5680 1 2 Vaclav Veverka . . . 5680 1 3 Geoff Kelly . . . 5680 1 4 Thomas Frenkiel . A. . 5680 1 5 Richard Williamson . A. . 5680 1 6 Stephen Gordon . V. . 5680 1 7 R. Hewinson . Glyn . 5680 1 8 Mark Carr . D. . 5680 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CFP-10 5680 1 ESAT-6 5680 1 'NMR resonance assignments' 5680 1 'secondary structure' 5680 1 tuberculosis 5680 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CFP-10_ESAT-6 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CFP-10_ESAT-6 _Assembly.Entry_ID 5680 _Assembly.ID 1 _Assembly.Name 'CFP-10 in complex with unlabelled ESAT-6' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID complex 5680 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 CFP-10 1 $CFP-10 . . . native . . . . . 5680 1 2 ESAT-6 2 $ESAT-6 . . . native . . . . . 5680 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 Swiss-Prot O69739 . . . . . ; System reported here is of the native state hetero-dimer i.e., CFP-10 in complex with ESAT-6 but with CFP-10 produced minus the N-terminal methionine. ; 5680 1 yes Swiss-Prot Q57165 . . . . . ; System reported here is of the native state hetero-dimer i.e., CFP-10 in complex with ESAT-6 but with CFP-10 produced minus the N-terminal methionine. ; 5680 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CFP-10 in complex with unlabelled ESAT-6' system 5680 1 CFP-10.ESAT-6 abbreviation 5680 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Secreted antigenic proteins of unknown function' 5680 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CFP-10 _Entity.Sf_category entity _Entity.Sf_framecode CFP-10 _Entity.Entry_ID 5680 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Culture Filtrate Protein of 10 kDa' _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 ; MAEMKTDAATLAQEAGNFER ISGDLKTQIDQVESTAGSLQ GQWRGAAGTAAQAAVVRFQE AANKQKQELDEISTNIRQAG VQYSRADEEQQQALSSQMGF ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10662 _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 1WA8 . "Solution Structure Of The Cfp-10.Esat-6 Complex. Major Virulence Determinants Of Pathogenic Mycobacteria" . . . . . 98.95 95 100.00 100.00 1.02e-57 . . . . 5680 1 2 no PDB 3FAV . "Structure Of The Cfp10-esat6 Complex From Mycobacterium Tuberculosis" . . . . . 98.95 94 100.00 100.00 9.95e-58 . . . . 5680 1 3 no DBJ BAL68013 . "6 kDa early secretory antigenic target ESXA [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 4 no DBJ BAQ08112 . "6 kDa early secretory antigenic target ESXA [Mycobacterium tuberculosis str. Kurono]" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 5 no DBJ GAA43757 . "ESAT-6 like 6 kDa early secretory antigenic target [Mycobacterium tuberculosis NCGM2209]" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 6 no EMBL CAA56099 . "6-kDa early secretory antigenic target [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 7 no EMBL CAD96091 . "6 KDA EARLY SECRETORY ANTIGENIC TARGET ESAT6 (ESAT-6) [Mycobacterium bovis AF2122/97]" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 8 no EMBL CCC28958 . "6 KDA early secretory antigenic target ESXA (ESAT-6) [Mycobacterium africanum GM041182]" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 9 no EMBL CCC46228 . "6 KDA early secretory antigenic target ESXA (ESAT-6) [Mycobacterium canettii CIPT 140010059]" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 10 no EMBL CCE39298 . "esxA [Mycobacterium tuberculosis UT205]" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 11 no GB AAC44033 . "Esat6 [Mycobacterium bovis]" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 12 no GB AAC83446 . "early secreted antigenic target 6 kDa [Mycobacterium tuberculosis H37Rv]" . . . . . 73.68 70 100.00 100.00 3.19e-40 . . . . 5680 1 13 no GB AAK48357 . "early secretory antigenic target, 6 kDa [Mycobacterium tuberculosis CDC1551]" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 14 no GB AAL16896 . "early secretory antigen ESAT-6 [Mycobacterium tuberculosis]" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 15 no GB AAO62007 . "secreted low molecular-mass T-cell antigen ESAT6 [Mycobacterium tuberculosis]" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 16 no PRF 2209337A . "Esat6 protein" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 17 no REF NP_338543 . "early secretory antigenic target, 6 kDa [Mycobacterium tuberculosis CDC1551]" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 18 no REF NP_857542 . "hypothetical protein Mb3905 [Mycobacterium bovis AF2122/97]" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 19 no REF WP_003399963 . "MULTISPECIES: hypothetical protein [Mycobacterium tuberculosis complex]" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 20 no REF WP_003909104 . "hypothetical protein [Mycobacterium tuberculosis]" . . . . . 100.00 95 98.95 98.95 8.13e-57 . . . . 5680 1 21 no REF WP_023349865 . "hypothetical protein [Mycobacterium bovis]" . . . . . 100.00 95 98.95 98.95 7.15e-58 . . . . 5680 1 22 no SP P0A565 . "RecName: Full=6 kDa early secretory antigenic target; AltName: Full=ESAT-6 [Mycobacterium bovis AF2122/97]" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 23 no SP P9WNK6 . "RecName: Full=6 kDa early secretory antigenic target; AltName: Full=ESAT-6 [Mycobacterium tuberculosis CDC1551]" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 24 no SP P9WNK7 . "RecName: Full=6 kDa early secretory antigenic target; AltName: Full=ESAT-6 [Mycobacterium tuberculosis H37Rv]" . . . . . 100.00 95 100.00 100.00 9.52e-59 . . . . 5680 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Culture Filtrate Protein of 10 kDa' common 5680 1 CFP-10 abbreviation 5680 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 0 MET . 5680 1 2 1 ALA . 5680 1 3 2 GLU . 5680 1 4 3 MET . 5680 1 5 4 LYS . 5680 1 6 5 THR . 5680 1 7 6 ASP . 5680 1 8 7 ALA . 5680 1 9 8 ALA . 5680 1 10 9 THR . 5680 1 11 10 LEU . 5680 1 12 11 ALA . 5680 1 13 12 GLN . 5680 1 14 13 GLU . 5680 1 15 14 ALA . 5680 1 16 15 GLY . 5680 1 17 16 ASN . 5680 1 18 17 PHE . 5680 1 19 18 GLU . 5680 1 20 19 ARG . 5680 1 21 20 ILE . 5680 1 22 21 SER . 5680 1 23 22 GLY . 5680 1 24 23 ASP . 5680 1 25 24 LEU . 5680 1 26 25 LYS . 5680 1 27 26 THR . 5680 1 28 27 GLN . 5680 1 29 28 ILE . 5680 1 30 29 ASP . 5680 1 31 30 GLN . 5680 1 32 31 VAL . 5680 1 33 32 GLU . 5680 1 34 33 SER . 5680 1 35 34 THR . 5680 1 36 35 ALA . 5680 1 37 36 GLY . 5680 1 38 37 SER . 5680 1 39 38 LEU . 5680 1 40 39 GLN . 5680 1 41 40 GLY . 5680 1 42 41 GLN . 5680 1 43 42 TRP . 5680 1 44 43 ARG . 5680 1 45 44 GLY . 5680 1 46 45 ALA . 5680 1 47 46 ALA . 5680 1 48 47 GLY . 5680 1 49 48 THR . 5680 1 50 49 ALA . 5680 1 51 50 ALA . 5680 1 52 51 GLN . 5680 1 53 52 ALA . 5680 1 54 53 ALA . 5680 1 55 54 VAL . 5680 1 56 55 VAL . 5680 1 57 56 ARG . 5680 1 58 57 PHE . 5680 1 59 58 GLN . 5680 1 60 59 GLU . 5680 1 61 60 ALA . 5680 1 62 61 ALA . 5680 1 63 62 ASN . 5680 1 64 63 LYS . 5680 1 65 64 GLN . 5680 1 66 65 LYS . 5680 1 67 66 GLN . 5680 1 68 67 GLU . 5680 1 69 68 LEU . 5680 1 70 69 ASP . 5680 1 71 70 GLU . 5680 1 72 71 ILE . 5680 1 73 72 SER . 5680 1 74 73 THR . 5680 1 75 74 ASN . 5680 1 76 75 ILE . 5680 1 77 76 ARG . 5680 1 78 77 GLN . 5680 1 79 78 ALA . 5680 1 80 79 GLY . 5680 1 81 80 VAL . 5680 1 82 81 GLN . 5680 1 83 82 TYR . 5680 1 84 83 SER . 5680 1 85 84 ARG . 5680 1 86 85 ALA . 5680 1 87 86 ASP . 5680 1 88 87 GLU . 5680 1 89 88 GLU . 5680 1 90 89 GLN . 5680 1 91 90 GLN . 5680 1 92 91 GLN . 5680 1 93 92 ALA . 5680 1 94 93 LEU . 5680 1 95 94 SER . 5680 1 96 95 SER . 5680 1 97 96 GLN . 5680 1 98 97 MET . 5680 1 99 98 GLY . 5680 1 100 99 PHE . 5680 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5680 1 . ALA 2 2 5680 1 . GLU 3 3 5680 1 . MET 4 4 5680 1 . LYS 5 5 5680 1 . THR 6 6 5680 1 . ASP 7 7 5680 1 . ALA 8 8 5680 1 . ALA 9 9 5680 1 . THR 10 10 5680 1 . LEU 11 11 5680 1 . ALA 12 12 5680 1 . GLN 13 13 5680 1 . GLU 14 14 5680 1 . ALA 15 15 5680 1 . GLY 16 16 5680 1 . ASN 17 17 5680 1 . PHE 18 18 5680 1 . GLU 19 19 5680 1 . ARG 20 20 5680 1 . ILE 21 21 5680 1 . SER 22 22 5680 1 . GLY 23 23 5680 1 . ASP 24 24 5680 1 . LEU 25 25 5680 1 . LYS 26 26 5680 1 . THR 27 27 5680 1 . GLN 28 28 5680 1 . ILE 29 29 5680 1 . ASP 30 30 5680 1 . GLN 31 31 5680 1 . VAL 32 32 5680 1 . GLU 33 33 5680 1 . SER 34 34 5680 1 . THR 35 35 5680 1 . ALA 36 36 5680 1 . GLY 37 37 5680 1 . SER 38 38 5680 1 . LEU 39 39 5680 1 . GLN 40 40 5680 1 . GLY 41 41 5680 1 . GLN 42 42 5680 1 . TRP 43 43 5680 1 . ARG 44 44 5680 1 . GLY 45 45 5680 1 . ALA 46 46 5680 1 . ALA 47 47 5680 1 . GLY 48 48 5680 1 . THR 49 49 5680 1 . ALA 50 50 5680 1 . ALA 51 51 5680 1 . GLN 52 52 5680 1 . ALA 53 53 5680 1 . ALA 54 54 5680 1 . VAL 55 55 5680 1 . VAL 56 56 5680 1 . ARG 57 57 5680 1 . PHE 58 58 5680 1 . GLN 59 59 5680 1 . GLU 60 60 5680 1 . ALA 61 61 5680 1 . ALA 62 62 5680 1 . ASN 63 63 5680 1 . LYS 64 64 5680 1 . GLN 65 65 5680 1 . LYS 66 66 5680 1 . GLN 67 67 5680 1 . GLU 68 68 5680 1 . LEU 69 69 5680 1 . ASP 70 70 5680 1 . GLU 71 71 5680 1 . ILE 72 72 5680 1 . SER 73 73 5680 1 . THR 74 74 5680 1 . ASN 75 75 5680 1 . ILE 76 76 5680 1 . ARG 77 77 5680 1 . GLN 78 78 5680 1 . ALA 79 79 5680 1 . GLY 80 80 5680 1 . VAL 81 81 5680 1 . GLN 82 82 5680 1 . TYR 83 83 5680 1 . SER 84 84 5680 1 . ARG 85 85 5680 1 . ALA 86 86 5680 1 . ASP 87 87 5680 1 . GLU 88 88 5680 1 . GLU 89 89 5680 1 . GLN 90 90 5680 1 . GLN 91 91 5680 1 . GLN 92 92 5680 1 . ALA 93 93 5680 1 . LEU 94 94 5680 1 . SER 95 95 5680 1 . SER 96 96 5680 1 . GLN 97 97 5680 1 . MET 98 98 5680 1 . GLY 99 99 5680 1 . PHE 100 100 5680 1 stop_ save_ save_ESAT-6 _Entity.Sf_category entity _Entity.Sf_framecode ESAT-6 _Entity.Entry_ID 5680 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ESAT-6 _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 ; MTEQQWNFAGIEAAASAIQG NVTSIHSLLDEGKQSLTKLA AAWGGSGSEAYQGVQQKWDA TATELNNALQNLARTISEAG QAMASTEGNVTGMFA ; _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT P0A565 . '6 kDa early secretory antigenic target (ESAT-6)' . . . . . 100.00 95 100.00 100.00 3.63e-46 . . . . 5680 2 . . SWISS-PROT P0A564 . '6 kDa early secretory antigenic target (ESAT-6)' . . . . . 100.00 95 100.00 100.00 3.63e-46 . . . . 5680 2 . . REF YP_002077444 . '6 kda early secretory antigenic target esxA (Esat-6) [Mycobacterium tuberculosis C]' . . . . . 100.00 95 100.00 100.00 3.63e-46 . . . . 5680 2 . . REF YP_001289837 . '6 kDa early secretory antigenic target esxA (Esat-6) [Mycobacterium tuberculosis F11]' . . . . . 100.00 95 100.00 100.00 3.63e-46 . . . . 5680 2 . . REF YP_001285265 . 'early secretory antigenic target EsxA [Mycobacterium tuberculosis H37Ra]' . . . . . 100.00 95 100.00 100.00 3.63e-46 . . . . 5680 2 . . REF NP_857542 . '6 kDa early secretory antigenic target EsaT6 (EsaT-6) [Mycobacterium bovis AF2122/97]' . . . . . 100.00 95 100.00 100.00 3.63e-46 . . . . 5680 2 . . REF NP_338543 . 'early secretory antigenic target, 6 kDa [Mycobacterium tuberculosis CDC1551]' . . . . . 100.00 95 100.00 100.00 3.63e-46 . . . . 5680 2 . . PRF 2209337A . 'Esat6 protein' . . . . . 100.00 95 100.00 100.00 3.63e-46 . . . . 5680 2 . . GenBank AAO62007 . 'secreted low molecular-mass T-cell antigen ESAT6 [Mycobacterium tuberculosis]' . . . . . 100.00 95 100.00 100.00 3.63e-46 . . . . 5680 2 . . GenBank AAL16896 . 'early secretory antigen ESAT-6 [Mycobacterium tuberculosis]' . . . . . 100.00 95 100.00 100.00 3.63e-46 . . . . 5680 2 . . GenBank AAK48357 . 'early secretory antigenic target, 6 kDa [Mycobacterium tuberculosis CDC1551]' . . . . . 100.00 95 100.00 100.00 3.63e-46 . . . . 5680 2 . . GenBank AAC83446 . 'early secreted antigenic target 6 kDa; ESAT-6 [Mycobacterium tuberculosis]' . . . . . 73.68 70 100.00 100.00 9.93e-32 . . . . 5680 2 . . GenBank AAC44033 . 'Esat6 [Mycobacterium bovis]' . . . . . 100.00 95 100.00 100.00 3.63e-46 . . . . 5680 2 . . EMBL CAE55648 . '6 KDA EARLY SECRETORY ANTIGENIC TARGET ESXA (ESAT-6) [Mycobacterium tuberculosis H37Rv]' . . . . . 100.00 95 100.00 100.00 3.63e-46 . . . . 5680 2 . . EMBL CAD96091 . '6 KDA EARLY SECRETORY ANTIGENIC TARGET ESAT6 (ESAT-6) [Mycobacterium bovis AF2122/97]' . . . . . 100.00 95 100.00 100.00 3.63e-46 . . . . 5680 2 . . EMBL CAA56099 . '6-kDa early secretory antigenic target [Mycobacterium tuberculosis]' . . . . . 100.00 95 100.00 100.00 3.63e-46 . . . . 5680 2 . . PDB 1WA8 . 'Solution Structure Of The Cfp-10.Esat-6 Complex. Major Virulence Determinants Of Pathogenic Mycobacteria' . . . . . 98.95 95 100.00 100.00 2.24e-45 . . . . 5680 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ESAT-6 common 5680 2 ESAT-6 abbreviation 5680 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5680 2 2 . THR . 5680 2 3 . GLU . 5680 2 4 . GLN . 5680 2 5 . GLN . 5680 2 6 . TRP . 5680 2 7 . ASN . 5680 2 8 . PHE . 5680 2 9 . ALA . 5680 2 10 . GLY . 5680 2 11 . ILE . 5680 2 12 . GLU . 5680 2 13 . ALA . 5680 2 14 . ALA . 5680 2 15 . ALA . 5680 2 16 . SER . 5680 2 17 . ALA . 5680 2 18 . ILE . 5680 2 19 . GLN . 5680 2 20 . GLY . 5680 2 21 . ASN . 5680 2 22 . VAL . 5680 2 23 . THR . 5680 2 24 . SER . 5680 2 25 . ILE . 5680 2 26 . HIS . 5680 2 27 . SER . 5680 2 28 . LEU . 5680 2 29 . LEU . 5680 2 30 . ASP . 5680 2 31 . GLU . 5680 2 32 . GLY . 5680 2 33 . LYS . 5680 2 34 . GLN . 5680 2 35 . SER . 5680 2 36 . LEU . 5680 2 37 . THR . 5680 2 38 . LYS . 5680 2 39 . LEU . 5680 2 40 . ALA . 5680 2 41 . ALA . 5680 2 42 . ALA . 5680 2 43 . TRP . 5680 2 44 . GLY . 5680 2 45 . GLY . 5680 2 46 . SER . 5680 2 47 . GLY . 5680 2 48 . SER . 5680 2 49 . GLU . 5680 2 50 . ALA . 5680 2 51 . TYR . 5680 2 52 . GLN . 5680 2 53 . GLY . 5680 2 54 . VAL . 5680 2 55 . GLN . 5680 2 56 . GLN . 5680 2 57 . LYS . 5680 2 58 . TRP . 5680 2 59 . ASP . 5680 2 60 . ALA . 5680 2 61 . THR . 5680 2 62 . ALA . 5680 2 63 . THR . 5680 2 64 . GLU . 5680 2 65 . LEU . 5680 2 66 . ASN . 5680 2 67 . ASN . 5680 2 68 . ALA . 5680 2 69 . LEU . 5680 2 70 . GLN . 5680 2 71 . ASN . 5680 2 72 . LEU . 5680 2 73 . ALA . 5680 2 74 . ARG . 5680 2 75 . THR . 5680 2 76 . ILE . 5680 2 77 . SER . 5680 2 78 . GLU . 5680 2 79 . ALA . 5680 2 80 . GLY . 5680 2 81 . GLN . 5680 2 82 . ALA . 5680 2 83 . MET . 5680 2 84 . ALA . 5680 2 85 . SER . 5680 2 86 . THR . 5680 2 87 . GLU . 5680 2 88 . GLY . 5680 2 89 . ASN . 5680 2 90 . VAL . 5680 2 91 . THR . 5680 2 92 . GLY . 5680 2 93 . MET . 5680 2 94 . PHE . 5680 2 95 . ALA . 5680 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5680 2 . THR 2 2 5680 2 . GLU 3 3 5680 2 . GLN 4 4 5680 2 . GLN 5 5 5680 2 . TRP 6 6 5680 2 . ASN 7 7 5680 2 . PHE 8 8 5680 2 . ALA 9 9 5680 2 . GLY 10 10 5680 2 . ILE 11 11 5680 2 . GLU 12 12 5680 2 . ALA 13 13 5680 2 . ALA 14 14 5680 2 . ALA 15 15 5680 2 . SER 16 16 5680 2 . ALA 17 17 5680 2 . ILE 18 18 5680 2 . GLN 19 19 5680 2 . GLY 20 20 5680 2 . ASN 21 21 5680 2 . VAL 22 22 5680 2 . THR 23 23 5680 2 . SER 24 24 5680 2 . ILE 25 25 5680 2 . HIS 26 26 5680 2 . SER 27 27 5680 2 . LEU 28 28 5680 2 . LEU 29 29 5680 2 . ASP 30 30 5680 2 . GLU 31 31 5680 2 . GLY 32 32 5680 2 . LYS 33 33 5680 2 . GLN 34 34 5680 2 . SER 35 35 5680 2 . LEU 36 36 5680 2 . THR 37 37 5680 2 . LYS 38 38 5680 2 . LEU 39 39 5680 2 . ALA 40 40 5680 2 . ALA 41 41 5680 2 . ALA 42 42 5680 2 . TRP 43 43 5680 2 . GLY 44 44 5680 2 . GLY 45 45 5680 2 . SER 46 46 5680 2 . GLY 47 47 5680 2 . SER 48 48 5680 2 . GLU 49 49 5680 2 . ALA 50 50 5680 2 . TYR 51 51 5680 2 . GLN 52 52 5680 2 . GLY 53 53 5680 2 . VAL 54 54 5680 2 . GLN 55 55 5680 2 . GLN 56 56 5680 2 . LYS 57 57 5680 2 . TRP 58 58 5680 2 . ASP 59 59 5680 2 . ALA 60 60 5680 2 . THR 61 61 5680 2 . ALA 62 62 5680 2 . THR 63 63 5680 2 . GLU 64 64 5680 2 . LEU 65 65 5680 2 . ASN 66 66 5680 2 . ASN 67 67 5680 2 . ALA 68 68 5680 2 . LEU 69 69 5680 2 . GLN 70 70 5680 2 . ASN 71 71 5680 2 . LEU 72 72 5680 2 . ALA 73 73 5680 2 . ARG 74 74 5680 2 . THR 75 75 5680 2 . ILE 76 76 5680 2 . SER 77 77 5680 2 . GLU 78 78 5680 2 . ALA 79 79 5680 2 . GLY 80 80 5680 2 . GLN 81 81 5680 2 . ALA 82 82 5680 2 . MET 83 83 5680 2 . ALA 84 84 5680 2 . SER 85 85 5680 2 . THR 86 86 5680 2 . GLU 87 87 5680 2 . GLY 88 88 5680 2 . ASN 89 89 5680 2 . VAL 90 90 5680 2 . THR 91 91 5680 2 . GLY 92 92 5680 2 . MET 93 93 5680 2 . PHE 94 94 5680 2 . ALA 95 95 5680 2 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 5680 _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 $CFP-10 . 1773 . . 'Mycobacterium tuberculosis and bovis' 'Mycobacterium tuberculosis' . . Eubacteria . Mycobacterium 'tuberculosis and bovis' 'H37Rv (tuberculosis) and AN5 (bovis)' . . . . . . . . . . . . . . . esxB . . . . 5680 1 2 2 $ESAT-6 . 1773 . . 'Mycobacterium tuberculosis and bovis' 'Mycobacterium tuberculosis' . . Eubacteria . Mycobacterium 'tuberculosis and bovis' 'H37Rv (tuberculosis) and AN5 (bovis)' . . . . . . . . . . . . . . . esxA . . . . 5680 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 5680 _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 $CFP-10 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . plasmid . . pET28a . . . . . . 5680 1 2 2 $ESAT-6 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . plasmid . . pET21a . . . . . . 5680 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5680 _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 'Culture Filtrate Protein of 10 kDa' '[U-13C; U-15N]' . . 1 $CFP-10 . . . 0.9 1.5 mM . . . . 5680 1 2 ESAT-6 '[U-13C; U-15N]' . . 2 $ESAT-6 . . . 0.9 1.5 mM . . . . 5680 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5680 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.2 na 5680 1 temperature 308 1 K 5680 1 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 5680 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5680 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5680 _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 . 800 . . . 5680 1 2 NMR_spectrometer_2 Bruker AVANCE . 600 . . . 5680 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 5680 _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 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5680 1 2 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5680 1 3 '15N/1H HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5680 1 4 '15N/1H TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5680 1 5 '15N/1H NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5680 1 6 '13C/1H HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5680 1 7 '13C/1H HMQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5680 1 8 '15N/13C/1H HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5680 1 9 '15N/13C/1H CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5680 1 10 '15N/13C/1H HAHB(CBCACO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5680 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 5680 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5680 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5680 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '15N/1H HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5680 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '15N/1H TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5680 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '15N/1H NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5680 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '13C/1H HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5680 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '13C/1H HMQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5680 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '15N/13C/1H HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5680 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '15N/13C/1H 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 . 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 5680 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '15N/13C/1H HAHB(CBCACO)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 . 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 5680 _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 . . . . . . . . . 5680 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5680 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5680 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_cs_CFP-10_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode cs_CFP-10_1 _Assigned_chem_shift_list.Entry_ID 5680 _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 TOCSY 1 $sample_1 . 5680 1 2 NOESY 1 $sample_1 . 5680 1 3 '15N/1H HSQC' 1 $sample_1 . 5680 1 4 '15N/1H TOCSY-HSQC' 1 $sample_1 . 5680 1 5 '15N/1H NOESY-HSQC' 1 $sample_1 . 5680 1 6 '13C/1H HCCH-TOCSY' 1 $sample_1 . 5680 1 7 '13C/1H HMQC-NOESY' 1 $sample_1 . 5680 1 8 '15N/13C/1H HNCACB' 1 $sample_1 . 5680 1 9 '15N/13C/1H CBCA(CO)NH' 1 $sample_1 . 5680 1 0 '15N/13C/1H HAHB(CBCACO)NH' 1 $sample_1 . 5680 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 ALA CA C 13 51.916 0.30 . 1 . . . . . . . . 5680 1 2 . 1 1 2 2 ALA HA H 1 4.090 0.02 . 1 . . . . . . . . 5680 1 3 . 1 1 2 2 ALA CB C 13 19.413 0.30 . 1 . . . . . . . . 5680 1 4 . 1 1 2 2 ALA HB1 H 1 1.530 0.02 . 1 . . . . . . . . 5680 1 5 . 1 1 2 2 ALA HB2 H 1 1.530 0.02 . 1 . . . . . . . . 5680 1 6 . 1 1 2 2 ALA HB3 H 1 1.530 0.02 . 1 . . . . . . . . 5680 1 7 . 1 1 3 3 GLU CA C 13 56.604 0.30 . 1 . . . . . . . . 5680 1 8 . 1 1 3 3 GLU HA H 1 4.373 0.02 . 1 . . . . . . . . 5680 1 9 . 1 1 3 3 GLU CB C 13 30.352 0.30 . 1 . . . . . . . . 5680 1 10 . 1 1 3 3 GLU HB2 H 1 2.049 0.02 . 1 . . . . . . . . 5680 1 11 . 1 1 3 3 GLU HB3 H 1 1.989 0.02 . 1 . . . . . . . . 5680 1 12 . 1 1 3 3 GLU CG C 13 36.602 0.30 . 1 . . . . . . . . 5680 1 13 . 1 1 3 3 GLU HG2 H 1 2.286 0.02 . 2 . . . . . . . . 5680 1 14 . 1 1 4 4 MET H H 1 8.511 0.02 . 1 . . . . . . . . 5680 1 15 . 1 1 4 4 MET N N 15 122.670 0.20 . 1 . . . . . . . . 5680 1 16 . 1 1 4 4 MET CA C 13 55.354 0.30 . 1 . . . . . . . . 5680 1 17 . 1 1 4 4 MET HA H 1 4.508 0.02 . 1 . . . . . . . . 5680 1 18 . 1 1 4 4 MET CB C 13 33.165 0.30 . 1 . . . . . . . . 5680 1 19 . 1 1 4 4 MET HB2 H 1 2.089 0.02 . 1 . . . . . . . . 5680 1 20 . 1 1 4 4 MET HB3 H 1 2.049 0.02 . 1 . . . . . . . . 5680 1 21 . 1 1 4 4 MET CG C 13 32.227 0.30 . 1 . . . . . . . . 5680 1 22 . 1 1 4 4 MET HG2 H 1 2.609 0.02 . 1 . . . . . . . . 5680 1 23 . 1 1 4 4 MET HG3 H 1 2.559 0.02 . 1 . . . . . . . . 5680 1 24 . 1 1 5 5 LYS H H 1 8.432 0.02 . 1 . . . . . . . . 5680 1 25 . 1 1 5 5 LYS N N 15 123.543 0.20 . 1 . . . . . . . . 5680 1 26 . 1 1 5 5 LYS CA C 13 56.291 0.30 . 1 . . . . . . . . 5680 1 27 . 1 1 5 5 LYS HA H 1 4.443 0.02 . 1 . . . . . . . . 5680 1 28 . 1 1 5 5 LYS CB C 13 33.165 0.30 . 1 . . . . . . . . 5680 1 29 . 1 1 5 5 LYS HB2 H 1 1.875 0.02 . 1 . . . . . . . . 5680 1 30 . 1 1 5 5 LYS HB3 H 1 1.835 0.02 . 1 . . . . . . . . 5680 1 31 . 1 1 5 5 LYS CG C 13 25.039 0.30 . 1 . . . . . . . . 5680 1 32 . 1 1 5 5 LYS HG2 H 1 1.489 0.02 . 1 . . . . . . . . 5680 1 33 . 1 1 5 5 LYS HG3 H 1 1.448 0.02 . 1 . . . . . . . . 5680 1 34 . 1 1 5 5 LYS CD C 13 29.102 0.30 . 1 . . . . . . . . 5680 1 35 . 1 1 5 5 LYS HD2 H 1 1.709 0.02 . 2 . . . . . . . . 5680 1 36 . 1 1 5 5 LYS CE C 13 42.228 0.30 . 1 . . . . . . . . 5680 1 37 . 1 1 5 5 LYS HE2 H 1 3.015 0.02 . 1 . . . . . . . . 5680 1 38 . 1 1 6 6 THR H H 1 8.126 0.02 . 1 . . . . . . . . 5680 1 39 . 1 1 6 6 THR N N 15 115.463 0.20 . 1 . . . . . . . . 5680 1 40 . 1 1 6 6 THR CA C 13 62.229 0.30 . 1 . . . . . . . . 5680 1 41 . 1 1 6 6 THR HA H 1 4.363 0.02 . 1 . . . . . . . . 5680 1 42 . 1 1 6 6 THR CB C 13 70.043 0.30 . 1 . . . . . . . . 5680 1 43 . 1 1 6 6 THR HB H 1 4.227 0.02 . 1 . . . . . . . . 5680 1 44 . 1 1 6 6 THR CG2 C 13 21.681 0.30 . 1 . . . . . . . . 5680 1 45 . 1 1 6 6 THR HG21 H 1 1.213 0.02 . 1 . . . . . . . . 5680 1 46 . 1 1 6 6 THR HG22 H 1 1.213 0.02 . 1 . . . . . . . . 5680 1 47 . 1 1 6 6 THR HG23 H 1 1.213 0.02 . 1 . . . . . . . . 5680 1 48 . 1 1 7 7 ASP H H 1 8.379 0.02 . 1 . . . . . . . . 5680 1 49 . 1 1 7 7 ASP N N 15 122.888 0.20 . 1 . . . . . . . . 5680 1 50 . 1 1 7 7 ASP CA C 13 54.466 0.30 . 1 . . . . . . . . 5680 1 51 . 1 1 7 7 ASP HA H 1 4.617 0.02 . 1 . . . . . . . . 5680 1 52 . 1 1 7 7 ASP CB C 13 41.236 0.30 . 1 . . . . . . . . 5680 1 53 . 1 1 7 7 ASP HB2 H 1 2.779 0.02 . 1 . . . . . . . . 5680 1 54 . 1 1 7 7 ASP HB3 H 1 2.736 0.02 . 1 . . . . . . . . 5680 1 55 . 1 1 8 8 ALA H H 1 8.329 0.02 . 1 . . . . . . . . 5680 1 56 . 1 1 8 8 ALA N N 15 124.199 0.20 . 1 . . . . . . . . 5680 1 57 . 1 1 8 8 ALA CA C 13 54.729 0.30 . 1 . . . . . . . . 5680 1 58 . 1 1 8 8 ALA HA H 1 4.080 0.02 . 1 . . . . . . . . 5680 1 59 . 1 1 8 8 ALA CB C 13 18.476 0.30 . 1 . . . . . . . . 5680 1 60 . 1 1 8 8 ALA HB1 H 1 1.450 0.02 . 1 . . . . . . . . 5680 1 61 . 1 1 8 8 ALA HB2 H 1 1.450 0.02 . 1 . . . . . . . . 5680 1 62 . 1 1 8 8 ALA HB3 H 1 1.450 0.02 . 1 . . . . . . . . 5680 1 63 . 1 1 9 9 ALA H H 1 8.244 0.02 . 1 . . . . . . . . 5680 1 64 . 1 1 9 9 ALA N N 15 121.360 0.20 . 1 . . . . . . . . 5680 1 65 . 1 1 9 9 ALA CA C 13 54.416 0.30 . 1 . . . . . . . . 5680 1 66 . 1 1 9 9 ALA HA H 1 4.295 0.02 . 1 . . . . . . . . 5680 1 67 . 1 1 9 9 ALA CB C 13 18.163 0.30 . 1 . . . . . . . . 5680 1 68 . 1 1 9 9 ALA HB1 H 1 1.514 0.02 . 1 . . . . . . . . 5680 1 69 . 1 1 9 9 ALA HB2 H 1 1.514 0.02 . 1 . . . . . . . . 5680 1 70 . 1 1 9 9 ALA HB3 H 1 1.514 0.02 . 1 . . . . . . . . 5680 1 71 . 1 1 10 10 THR H H 1 8.005 0.02 . 1 . . . . . . . . 5680 1 72 . 1 1 10 10 THR N N 15 114.808 0.20 . 1 . . . . . . . . 5680 1 73 . 1 1 10 10 THR CA C 13 65.042 0.30 . 1 . . . . . . . . 5680 1 74 . 1 1 10 10 THR HA H 1 4.132 0.02 . 1 . . . . . . . . 5680 1 75 . 1 1 10 10 THR CB C 13 69.105 0.30 . 1 . . . . . . . . 5680 1 76 . 1 1 10 10 THR HB H 1 4.340 0.02 . 1 . . . . . . . . 5680 1 77 . 1 1 10 10 THR CG2 C 13 21.914 0.30 . 1 . . . . . . . . 5680 1 78 . 1 1 10 10 THR HG21 H 1 1.323 0.02 . 1 . . . . . . . . 5680 1 79 . 1 1 10 10 THR HG22 H 1 1.323 0.02 . 1 . . . . . . . . 5680 1 80 . 1 1 10 10 THR HG23 H 1 1.323 0.02 . 1 . . . . . . . . 5680 1 81 . 1 1 11 11 LEU H H 1 7.976 0.02 . 1 . . . . . . . . 5680 1 82 . 1 1 11 11 LEU N N 15 122.451 0.20 . 1 . . . . . . . . 5680 1 83 . 1 1 11 11 LEU CA C 13 57.854 0.30 . 1 . . . . . . . . 5680 1 84 . 1 1 11 11 LEU HA H 1 4.122 0.02 . 1 . . . . . . . . 5680 1 85 . 1 1 11 11 LEU CB C 13 41.603 0.30 . 1 . . . . . . . . 5680 1 86 . 1 1 11 11 LEU HB2 H 1 1.758 0.02 . 1 . . . . . . . . 5680 1 87 . 1 1 11 11 LEU HB3 H 1 1.519 0.02 . 1 . . . . . . . . 5680 1 88 . 1 1 11 11 LEU CG C 13 27.227 0.30 . 1 . . . . . . . . 5680 1 89 . 1 1 11 11 LEU CD1 C 13 24.414 0.30 . 1 . . . . . . . . 5680 1 90 . 1 1 11 11 LEU HD11 H 1 0.860 0.02 . 1 . . . . . . . . 5680 1 91 . 1 1 11 11 LEU HD12 H 1 0.860 0.02 . 1 . . . . . . . . 5680 1 92 . 1 1 11 11 LEU HD13 H 1 0.860 0.02 . 1 . . . . . . . . 5680 1 93 . 1 1 11 11 LEU CD2 C 13 25.351 0.30 . 1 . . . . . . . . 5680 1 94 . 1 1 11 11 LEU HD21 H 1 0.830 0.02 . 1 . . . . . . . . 5680 1 95 . 1 1 11 11 LEU HD22 H 1 0.830 0.02 . 1 . . . . . . . . 5680 1 96 . 1 1 11 11 LEU HD23 H 1 0.830 0.02 . 1 . . . . . . . . 5680 1 97 . 1 1 11 11 LEU HG H 1 1.710 0.02 . 1 . . . . . . . . 5680 1 98 . 1 1 12 12 ALA H H 1 7.923 0.02 . 1 . . . . . . . . 5680 1 99 . 1 1 12 12 ALA N N 15 120.268 0.20 . 1 . . . . . . . . 5680 1 100 . 1 1 12 12 ALA CA C 13 55.354 0.30 . 1 . . . . . . . . 5680 1 101 . 1 1 12 12 ALA HA H 1 4.009 0.02 . 1 . . . . . . . . 5680 1 102 . 1 1 12 12 ALA CB C 13 18.163 0.30 . 1 . . . . . . . . 5680 1 103 . 1 1 12 12 ALA HB1 H 1 1.513 0.02 . 1 . . . . . . . . 5680 1 104 . 1 1 12 12 ALA HB2 H 1 1.513 0.02 . 1 . . . . . . . . 5680 1 105 . 1 1 12 12 ALA HB3 H 1 1.513 0.02 . 1 . . . . . . . . 5680 1 106 . 1 1 13 13 GLN H H 1 7.965 0.02 . 1 . . . . . . . . 5680 1 107 . 1 1 13 13 GLN N N 15 118.084 0.20 . 1 . . . . . . . . 5680 1 108 . 1 1 13 13 GLN CA C 13 58.792 0.30 . 1 . . . . . . . . 5680 1 109 . 1 1 13 13 GLN HA H 1 4.159 0.02 . 1 . . . . . . . . 5680 1 110 . 1 1 13 13 GLN CB C 13 28.477 0.30 . 1 . . . . . . . . 5680 1 111 . 1 1 13 13 GLN HB2 H 1 2.281 0.02 . 1 . . . . . . . . 5680 1 112 . 1 1 13 13 GLN HB3 H 1 2.237 0.02 . 1 . . . . . . . . 5680 1 113 . 1 1 13 13 GLN CG C 13 34.102 0.30 . 1 . . . . . . . . 5680 1 114 . 1 1 13 13 GLN HG2 H 1 2.520 0.02 . 1 . . . . . . . . 5680 1 115 . 1 1 13 13 GLN HG3 H 1 2.445 0.02 . 1 . . . . . . . . 5680 1 116 . 1 1 14 14 GLU H H 1 8.306 0.02 . 1 . . . . . . . . 5680 1 117 . 1 1 14 14 GLU N N 15 121.796 0.20 . 1 . . . . . . . . 5680 1 118 . 1 1 14 14 GLU CA C 13 58.167 0.30 . 1 . . . . . . . . 5680 1 119 . 1 1 14 14 GLU HA H 1 4.239 0.02 . 1 . . . . . . . . 5680 1 120 . 1 1 14 14 GLU CB C 13 28.653 0.30 . 1 . . . . . . . . 5680 1 121 . 1 1 14 14 GLU HB2 H 1 2.203 0.02 . 1 . . . . . . . . 5680 1 122 . 1 1 14 14 GLU HB3 H 1 2.008 0.02 . 1 . . . . . . . . 5680 1 123 . 1 1 14 14 GLU CG C 13 35.977 0.30 . 1 . . . . . . . . 5680 1 124 . 1 1 14 14 GLU HG2 H 1 2.285 0.02 . 2 . . . . . . . . 5680 1 125 . 1 1 15 15 ALA H H 1 8.811 0.02 . 1 . . . . . . . . 5680 1 126 . 1 1 15 15 ALA N N 15 123.543 0.20 . 1 . . . . . . . . 5680 1 127 . 1 1 15 15 ALA CA C 13 55.666 0.30 . 1 . . . . . . . . 5680 1 128 . 1 1 15 15 ALA HA H 1 4.127 0.02 . 1 . . . . . . . . 5680 1 129 . 1 1 15 15 ALA CB C 13 18.163 0.30 . 1 . . . . . . . . 5680 1 130 . 1 1 15 15 ALA HB1 H 1 1.452 0.02 . 1 . . . . . . . . 5680 1 131 . 1 1 15 15 ALA HB2 H 1 1.452 0.02 . 1 . . . . . . . . 5680 1 132 . 1 1 15 15 ALA HB3 H 1 1.452 0.02 . 1 . . . . . . . . 5680 1 133 . 1 1 16 16 GLY H H 1 7.837 0.02 . 1 . . . . . . . . 5680 1 134 . 1 1 16 16 GLY N N 15 104.981 0.20 . 1 . . . . . . . . 5680 1 135 . 1 1 16 16 GLY CA C 13 46.934 0.30 . 1 . . . . . . . . 5680 1 136 . 1 1 16 16 GLY HA2 H 1 3.951 0.02 . 1 . . . . . . . . 5680 1 137 . 1 1 16 16 GLY HA3 H 1 3.847 0.02 . 1 . . . . . . . . 5680 1 138 . 1 1 17 17 ASN H H 1 7.807 0.02 . 1 . . . . . . . . 5680 1 139 . 1 1 17 17 ASN N N 15 122.888 0.20 . 1 . . . . . . . . 5680 1 140 . 1 1 17 17 ASN CA C 13 56.285 0.30 . 1 . . . . . . . . 5680 1 141 . 1 1 17 17 ASN HA H 1 4.662 0.02 . 1 . . . . . . . . 5680 1 142 . 1 1 17 17 ASN CB C 13 38.402 0.30 . 1 . . . . . . . . 5680 1 143 . 1 1 17 17 ASN HB2 H 1 3.167 0.02 . 1 . . . . . . . . 5680 1 144 . 1 1 17 17 ASN HB3 H 1 2.949 0.02 . 1 . . . . . . . . 5680 1 145 . 1 1 18 18 PHE H H 1 8.828 0.02 . 1 . . . . . . . . 5680 1 146 . 1 1 18 18 PHE N N 15 121.141 0.20 . 1 . . . . . . . . 5680 1 147 . 1 1 18 18 PHE CA C 13 63.553 0.30 . 1 . . . . . . . . 5680 1 148 . 1 1 18 18 PHE HA H 1 3.959 0.02 . 1 . . . . . . . . 5680 1 149 . 1 1 18 18 PHE CB C 13 38.459 0.30 . 1 . . . . . . . . 5680 1 150 . 1 1 18 18 PHE HB2 H 1 3.509 0.02 . 1 . . . . . . . . 5680 1 151 . 1 1 18 18 PHE HB3 H 1 3.077 0.02 . 1 . . . . . . . . 5680 1 152 . 1 1 18 18 PHE HD1 H 1 7.339 0.02 . 2 . . . . . . . . 5680 1 153 . 1 1 18 18 PHE HE1 H 1 7.135 0.02 . 2 . . . . . . . . 5680 1 154 . 1 1 19 19 GLU H H 1 8.246 0.02 . 1 . . . . . . . . 5680 1 155 . 1 1 19 19 GLU N N 15 118.739 0.20 . 1 . . . . . . . . 5680 1 156 . 1 1 19 19 GLU CA C 13 59.417 0.30 . 1 . . . . . . . . 5680 1 157 . 1 1 19 19 GLU HA H 1 4.046 0.02 . 1 . . . . . . . . 5680 1 158 . 1 1 19 19 GLU CB C 13 29.727 0.30 . 1 . . . . . . . . 5680 1 159 . 1 1 19 19 GLU HB2 H 1 2.204 0.02 . 1 . . . . . . . . 5680 1 160 . 1 1 19 19 GLU HB3 H 1 2.172 0.02 . 1 . . . . . . . . 5680 1 161 . 1 1 19 19 GLU CG C 13 36.290 0.30 . 1 . . . . . . . . 5680 1 162 . 1 1 19 19 GLU HG2 H 1 2.468 0.02 . 1 . . . . . . . . 5680 1 163 . 1 1 19 19 GLU HG3 H 1 2.262 0.02 . 1 . . . . . . . . 5680 1 164 . 1 1 20 20 ARG H H 1 7.742 0.02 . 1 . . . . . . . . 5680 1 165 . 1 1 20 20 ARG N N 15 123.325 0.20 . 1 . . . . . . . . 5680 1 166 . 1 1 20 20 ARG CA C 13 59.729 0.30 . 1 . . . . . . . . 5680 1 167 . 1 1 20 20 ARG HA H 1 4.082 0.02 . 1 . . . . . . . . 5680 1 168 . 1 1 20 20 ARG CB C 13 28.789 0.30 . 1 . . . . . . . . 5680 1 169 . 1 1 20 20 ARG HB2 H 1 2.389 0.02 . 1 . . . . . . . . 5680 1 170 . 1 1 20 20 ARG HB3 H 1 2.032 0.02 . 1 . . . . . . . . 5680 1 171 . 1 1 20 20 ARG CG C 13 26.289 0.30 . 1 . . . . . . . . 5680 1 172 . 1 1 20 20 ARG HG2 H 1 1.901 0.02 . 1 . . . . . . . . 5680 1 173 . 1 1 20 20 ARG HG3 H 1 1.649 0.02 . 1 . . . . . . . . 5680 1 174 . 1 1 20 20 ARG CD C 13 42.853 0.30 . 1 . . . . . . . . 5680 1 175 . 1 1 20 20 ARG HD2 H 1 3.238 0.02 . 1 . . . . . . . . 5680 1 176 . 1 1 20 20 ARG HD3 H 1 3.172 0.02 . 1 . . . . . . . . 5680 1 177 . 1 1 21 21 ILE H H 1 8.248 0.02 . 1 . . . . . . . . 5680 1 178 . 1 1 21 21 ILE N N 15 122.670 0.20 . 1 . . . . . . . . 5680 1 179 . 1 1 21 21 ILE CA C 13 65.980 0.30 . 1 . . . . . . . . 5680 1 180 . 1 1 21 21 ILE HA H 1 3.429 0.02 . 1 . . . . . . . . 5680 1 181 . 1 1 21 21 ILE CB C 13 38.790 0.30 . 1 . . . . . . . . 5680 1 182 . 1 1 21 21 ILE HB H 1 1.619 0.02 . 1 . . . . . . . . 5680 1 183 . 1 1 21 21 ILE CG2 C 13 16.913 0.30 . 1 . . . . . . . . 5680 1 184 . 1 1 21 21 ILE HG21 H 1 0.800 0.02 . 1 . . . . . . . . 5680 1 185 . 1 1 21 21 ILE HG22 H 1 0.800 0.02 . 1 . . . . . . . . 5680 1 186 . 1 1 21 21 ILE HG23 H 1 0.800 0.02 . 1 . . . . . . . . 5680 1 187 . 1 1 21 21 ILE HG12 H 1 1.715 0.02 . 1 . . . . . . . . 5680 1 188 . 1 1 21 21 ILE HG13 H 1 1.703 0.02 . 1 . . . . . . . . 5680 1 189 . 1 1 21 21 ILE CD1 C 13 15.351 0.30 . 1 . . . . . . . . 5680 1 190 . 1 1 21 21 ILE HD11 H 1 0.767 0.02 . 1 . . . . . . . . 5680 1 191 . 1 1 21 21 ILE HD12 H 1 0.767 0.02 . 1 . . . . . . . . 5680 1 192 . 1 1 21 21 ILE HD13 H 1 0.767 0.02 . 1 . . . . . . . . 5680 1 193 . 1 1 22 22 SER H H 1 8.564 0.02 . 1 . . . . . . . . 5680 1 194 . 1 1 22 22 SER N N 15 113.279 0.20 . 1 . . . . . . . . 5680 1 195 . 1 1 22 22 SER CA C 13 60.925 0.30 . 1 . . . . . . . . 5680 1 196 . 1 1 22 22 SER HA H 1 3.954 0.02 . 1 . . . . . . . . 5680 1 197 . 1 1 22 22 SER CB C 13 62.906 0.30 . 1 . . . . . . . . 5680 1 198 . 1 1 22 22 SER HB2 H 1 3.728 0.02 . 1 . . . . . . . . 5680 1 199 . 1 1 22 22 SER HB3 H 1 3.712 0.02 . 1 . . . . . . . . 5680 1 200 . 1 1 23 23 GLY H H 1 8.166 0.02 . 1 . . . . . . . . 5680 1 201 . 1 1 23 23 GLY N N 15 106.728 0.20 . 1 . . . . . . . . 5680 1 202 . 1 1 23 23 GLY CA C 13 47.455 0.30 . 1 . . . . . . . . 5680 1 203 . 1 1 23 23 GLY HA2 H 1 4.073 0.02 . 1 . . . . . . . . 5680 1 204 . 1 1 23 23 GLY HA3 H 1 3.856 0.02 . 1 . . . . . . . . 5680 1 205 . 1 1 24 24 ASP H H 1 8.340 0.02 . 1 . . . . . . . . 5680 1 206 . 1 1 24 24 ASP N N 15 124.635 0.20 . 1 . . . . . . . . 5680 1 207 . 1 1 24 24 ASP CA C 13 57.485 0.30 . 1 . . . . . . . . 5680 1 208 . 1 1 24 24 ASP HA H 1 4.551 0.02 . 1 . . . . . . . . 5680 1 209 . 1 1 24 24 ASP CB C 13 40.574 0.30 . 1 . . . . . . . . 5680 1 210 . 1 1 24 24 ASP HB2 H 1 2.907 0.02 . 1 . . . . . . . . 5680 1 211 . 1 1 24 24 ASP HB3 H 1 2.699 0.02 . 1 . . . . . . . . 5680 1 212 . 1 1 25 25 LEU H H 1 8.994 0.02 . 1 . . . . . . . . 5680 1 213 . 1 1 25 25 LEU N N 15 122.670 0.20 . 1 . . . . . . . . 5680 1 214 . 1 1 25 25 LEU CA C 13 58.792 0.30 . 1 . . . . . . . . 5680 1 215 . 1 1 25 25 LEU HA H 1 3.945 0.02 . 1 . . . . . . . . 5680 1 216 . 1 1 25 25 LEU CB C 13 42.853 0.30 . 1 . . . . . . . . 5680 1 217 . 1 1 25 25 LEU HB2 H 1 2.085 0.02 . 1 . . . . . . . . 5680 1 218 . 1 1 25 25 LEU HB3 H 1 1.544 0.02 . 1 . . . . . . . . 5680 1 219 . 1 1 25 25 LEU CG C 13 28.164 0.30 . 1 . . . . . . . . 5680 1 220 . 1 1 25 25 LEU CD1 C 13 25.976 0.30 . 1 . . . . . . . . 5680 1 221 . 1 1 25 25 LEU HD11 H 1 0.993 0.02 . 1 . . . . . . . . 5680 1 222 . 1 1 25 25 LEU HD12 H 1 0.993 0.02 . 1 . . . . . . . . 5680 1 223 . 1 1 25 25 LEU HD13 H 1 0.993 0.02 . 1 . . . . . . . . 5680 1 224 . 1 1 25 25 LEU CD2 C 13 26.601 0.30 . 1 . . . . . . . . 5680 1 225 . 1 1 25 25 LEU HD21 H 1 0.945 0.02 . 1 . . . . . . . . 5680 1 226 . 1 1 25 25 LEU HD22 H 1 0.945 0.02 . 1 . . . . . . . . 5680 1 227 . 1 1 25 25 LEU HD23 H 1 0.945 0.02 . 1 . . . . . . . . 5680 1 228 . 1 1 25 25 LEU HG H 1 1.713 0.02 . 1 . . . . . . . . 5680 1 229 . 1 1 26 26 LYS H H 1 8.506 0.02 . 1 . . . . . . . . 5680 1 230 . 1 1 26 26 LYS N N 15 118.521 0.20 . 1 . . . . . . . . 5680 1 231 . 1 1 26 26 LYS CA C 13 61.917 0.30 . 1 . . . . . . . . 5680 1 232 . 1 1 26 26 LYS HA H 1 3.720 0.02 . 1 . . . . . . . . 5680 1 233 . 1 1 26 26 LYS CB C 13 32.227 0.30 . 1 . . . . . . . . 5680 1 234 . 1 1 26 26 LYS HB2 H 1 2.093 0.02 . 1 . . . . . . . . 5680 1 235 . 1 1 26 26 LYS HB3 H 1 1.897 0.02 . 1 . . . . . . . . 5680 1 236 . 1 1 26 26 LYS CG C 13 27.539 0.30 . 1 . . . . . . . . 5680 1 237 . 1 1 26 26 LYS HG2 H 1 1.109 0.02 . 2 . . . . . . . . 5680 1 238 . 1 1 26 26 LYS CD C 13 30.352 0.30 . 1 . . . . . . . . 5680 1 239 . 1 1 26 26 LYS HD2 H 1 1.776 0.02 . 2 . . . . . . . . 5680 1 240 . 1 1 26 26 LYS CE C 13 41.915 0.30 . 1 . . . . . . . . 5680 1 241 . 1 1 26 26 LYS HE2 H 1 2.903 0.02 . 1 . . . . . . . . 5680 1 242 . 1 1 26 26 LYS HE3 H 1 2.852 0.02 . 1 . . . . . . . . 5680 1 243 . 1 1 27 27 THR H H 1 8.160 0.02 . 1 . . . . . . . . 5680 1 244 . 1 1 27 27 THR N N 15 115.682 0.20 . 1 . . . . . . . . 5680 1 245 . 1 1 27 27 THR CA C 13 66.917 0.30 . 1 . . . . . . . . 5680 1 246 . 1 1 27 27 THR HA H 1 4.041 0.02 . 1 . . . . . . . . 5680 1 247 . 1 1 27 27 THR CB C 13 68.793 0.30 . 1 . . . . . . . . 5680 1 248 . 1 1 27 27 THR HB H 1 4.474 0.02 . 1 . . . . . . . . 5680 1 249 . 1 1 27 27 THR CG2 C 13 21.914 0.30 . 1 . . . . . . . . 5680 1 250 . 1 1 27 27 THR HG21 H 1 1.288 0.02 . 1 . . . . . . . . 5680 1 251 . 1 1 27 27 THR HG22 H 1 1.288 0.02 . 1 . . . . . . . . 5680 1 252 . 1 1 27 27 THR HG23 H 1 1.288 0.02 . 1 . . . . . . . . 5680 1 253 . 1 1 28 28 GLN H H 1 8.120 0.02 . 1 . . . . . . . . 5680 1 254 . 1 1 28 28 GLN N N 15 120.268 0.20 . 1 . . . . . . . . 5680 1 255 . 1 1 28 28 GLN CA C 13 59.417 0.30 . 1 . . . . . . . . 5680 1 256 . 1 1 28 28 GLN HA H 1 3.858 0.02 . 1 . . . . . . . . 5680 1 257 . 1 1 28 28 GLN CB C 13 29.269 0.30 . 1 . . . . . . . . 5680 1 258 . 1 1 28 28 GLN HB2 H 1 2.251 0.02 . 1 . . . . . . . . 5680 1 259 . 1 1 28 28 GLN HB3 H 1 2.065 0.02 . 1 . . . . . . . . 5680 1 260 . 1 1 28 28 GLN CG C 13 34.102 0.30 . 1 . . . . . . . . 5680 1 261 . 1 1 28 28 GLN HG2 H 1 2.602 0.02 . 1 . . . . . . . . 5680 1 262 . 1 1 28 28 GLN HG3 H 1 2.220 0.02 . 1 . . . . . . . . 5680 1 263 . 1 1 29 29 ILE H H 1 8.605 0.02 . 1 . . . . . . . . 5680 1 264 . 1 1 29 29 ILE N N 15 119.613 0.20 . 1 . . . . . . . . 5680 1 265 . 1 1 29 29 ILE CA C 13 66.917 0.30 . 1 . . . . . . . . 5680 1 266 . 1 1 29 29 ILE HA H 1 3.644 0.02 . 1 . . . . . . . . 5680 1 267 . 1 1 29 29 ILE CB C 13 38.477 0.30 . 1 . . . . . . . . 5680 1 268 . 1 1 29 29 ILE HB H 1 2.093 0.02 . 1 . . . . . . . . 5680 1 269 . 1 1 29 29 ILE CG2 C 13 19.101 0.30 . 1 . . . . . . . . 5680 1 270 . 1 1 29 29 ILE HG21 H 1 1.086 0.02 . 1 . . . . . . . . 5680 1 271 . 1 1 29 29 ILE HG22 H 1 1.086 0.02 . 1 . . . . . . . . 5680 1 272 . 1 1 29 29 ILE HG23 H 1 1.086 0.02 . 1 . . . . . . . . 5680 1 273 . 1 1 29 29 ILE CG1 C 13 30.977 0.30 . 1 . . . . . . . . 5680 1 274 . 1 1 29 29 ILE HG12 H 1 0.996 0.02 . 1 . . . . . . . . 5680 1 275 . 1 1 29 29 ILE HG13 H 1 0.985 0.02 . 1 . . . . . . . . 5680 1 276 . 1 1 29 29 ILE CD1 C 13 13.788 0.30 . 1 . . . . . . . . 5680 1 277 . 1 1 29 29 ILE HD11 H 1 0.783 0.02 . 1 . . . . . . . . 5680 1 278 . 1 1 29 29 ILE HD12 H 1 0.783 0.02 . 1 . . . . . . . . 5680 1 279 . 1 1 29 29 ILE HD13 H 1 0.783 0.02 . 1 . . . . . . . . 5680 1 280 . 1 1 30 30 ASP H H 1 8.389 0.02 . 1 . . . . . . . . 5680 1 281 . 1 1 30 30 ASP N N 15 120.049 0.20 . 1 . . . . . . . . 5680 1 282 . 1 1 30 30 ASP CA C 13 57.382 0.30 . 1 . . . . . . . . 5680 1 283 . 1 1 30 30 ASP HA H 1 4.535 0.02 . 1 . . . . . . . . 5680 1 284 . 1 1 30 30 ASP CB C 13 39.875 0.30 . 1 . . . . . . . . 5680 1 285 . 1 1 30 30 ASP HB2 H 1 2.935 0.02 . 1 . . . . . . . . 5680 1 286 . 1 1 30 30 ASP HB3 H 1 2.752 0.02 . 1 . . . . . . . . 5680 1 287 . 1 1 31 31 GLN H H 1 8.053 0.02 . 1 . . . . . . . . 5680 1 288 . 1 1 31 31 GLN N N 15 121.360 0.20 . 1 . . . . . . . . 5680 1 289 . 1 1 31 31 GLN CA C 13 59.417 0.30 . 1 . . . . . . . . 5680 1 290 . 1 1 31 31 GLN HA H 1 4.152 0.02 . 1 . . . . . . . . 5680 1 291 . 1 1 31 31 GLN CB C 13 27.852 0.30 . 1 . . . . . . . . 5680 1 292 . 1 1 31 31 GLN HB2 H 1 2.335 0.02 . 1 . . . . . . . . 5680 1 293 . 1 1 31 31 GLN HB3 H 1 2.249 0.02 . 1 . . . . . . . . 5680 1 294 . 1 1 31 31 GLN CG C 13 34.415 0.30 . 1 . . . . . . . . 5680 1 295 . 1 1 31 31 GLN HG2 H 1 2.688 0.02 . 2 . . . . . . . . 5680 1 296 . 1 1 32 32 VAL H H 1 7.978 0.02 . 1 . . . . . . . . 5680 1 297 . 1 1 32 32 VAL N N 15 121.578 0.20 . 1 . . . . . . . . 5680 1 298 . 1 1 32 32 VAL CA C 13 67.542 0.30 . 1 . . . . . . . . 5680 1 299 . 1 1 32 32 VAL HA H 1 3.359 0.02 . 1 . . . . . . . . 5680 1 300 . 1 1 32 32 VAL CB C 13 30.977 0.30 . 1 . . . . . . . . 5680 1 301 . 1 1 32 32 VAL HB H 1 2.225 0.02 . 1 . . . . . . . . 5680 1 302 . 1 1 32 32 VAL CG1 C 13 23.164 0.30 . 1 . . . . . . . . 5680 1 303 . 1 1 32 32 VAL HG11 H 1 0.955 0.02 . 1 . . . . . . . . 5680 1 304 . 1 1 32 32 VAL HG12 H 1 0.955 0.02 . 1 . . . . . . . . 5680 1 305 . 1 1 32 32 VAL HG13 H 1 0.955 0.02 . 1 . . . . . . . . 5680 1 306 . 1 1 32 32 VAL CG2 C 13 22.226 0.30 . 1 . . . . . . . . 5680 1 307 . 1 1 32 32 VAL HG21 H 1 0.032 0.02 . 1 . . . . . . . . 5680 1 308 . 1 1 32 32 VAL HG22 H 1 0.032 0.02 . 1 . . . . . . . . 5680 1 309 . 1 1 32 32 VAL HG23 H 1 0.032 0.02 . 1 . . . . . . . . 5680 1 310 . 1 1 33 33 GLU H H 1 8.444 0.02 . 1 . . . . . . . . 5680 1 311 . 1 1 33 33 GLU N N 15 118.739 0.20 . 1 . . . . . . . . 5680 1 312 . 1 1 33 33 GLU CA C 13 60.979 0.30 . 1 . . . . . . . . 5680 1 313 . 1 1 33 33 GLU HA H 1 3.956 0.02 . 1 . . . . . . . . 5680 1 314 . 1 1 33 33 GLU CB C 13 30.039 0.30 . 1 . . . . . . . . 5680 1 315 . 1 1 33 33 GLU HB2 H 1 2.380 0.02 . 1 . . . . . . . . 5680 1 316 . 1 1 33 33 GLU HB3 H 1 2.324 0.02 . 1 . . . . . . . . 5680 1 317 . 1 1 33 33 GLU CG C 13 37.227 0.30 . 1 . . . . . . . . 5680 1 318 . 1 1 33 33 GLU HG2 H 1 2.569 0.02 . 1 . . . . . . . . 5680 1 319 . 1 1 33 33 GLU HG3 H 1 2.361 0.02 . 1 . . . . . . . . 5680 1 320 . 1 1 34 34 SER H H 1 8.512 0.02 . 1 . . . . . . . . 5680 1 321 . 1 1 34 34 SER N N 15 115.245 0.20 . 1 . . . . . . . . 5680 1 322 . 1 1 34 34 SER CA C 13 61.342 0.30 . 1 . . . . . . . . 5680 1 323 . 1 1 34 34 SER HA H 1 4.319 0.02 . 1 . . . . . . . . 5680 1 324 . 1 1 34 34 SER CB C 13 62.731 0.30 . 1 . . . . . . . . 5680 1 325 . 1 1 34 34 SER HB2 H 1 4.064 0.02 . 1 . . . . . . . . 5680 1 326 . 1 1 34 34 SER HB3 H 1 4.039 0.02 . 1 . . . . . . . . 5680 1 327 . 1 1 35 35 THR H H 1 8.549 0.02 . 1 . . . . . . . . 5680 1 328 . 1 1 35 35 THR N N 15 120.923 0.20 . 1 . . . . . . . . 5680 1 329 . 1 1 35 35 THR CA C 13 66.917 0.30 . 1 . . . . . . . . 5680 1 330 . 1 1 35 35 THR HA H 1 3.951 0.02 . 1 . . . . . . . . 5680 1 331 . 1 1 35 35 THR CB C 13 68.167 0.30 . 1 . . . . . . . . 5680 1 332 . 1 1 35 35 THR HB H 1 4.169 0.02 . 1 . . . . . . . . 5680 1 333 . 1 1 35 35 THR CG2 C 13 21.914 0.30 . 1 . . . . . . . . 5680 1 334 . 1 1 35 35 THR HG21 H 1 1.232 0.02 . 1 . . . . . . . . 5680 1 335 . 1 1 35 35 THR HG22 H 1 1.232 0.02 . 1 . . . . . . . . 5680 1 336 . 1 1 35 35 THR HG23 H 1 1.232 0.02 . 1 . . . . . . . . 5680 1 337 . 1 1 36 36 ALA H H 1 8.996 0.02 . 1 . . . . . . . . 5680 1 338 . 1 1 36 36 ALA N N 15 123.325 0.20 . 1 . . . . . . . . 5680 1 339 . 1 1 36 36 ALA CA C 13 55.354 0.30 . 1 . . . . . . . . 5680 1 340 . 1 1 36 36 ALA HA H 1 3.991 0.02 . 1 . . . . . . . . 5680 1 341 . 1 1 36 36 ALA CB C 13 17.851 0.30 . 1 . . . . . . . . 5680 1 342 . 1 1 36 36 ALA HB1 H 1 1.476 0.02 . 1 . . . . . . . . 5680 1 343 . 1 1 36 36 ALA HB2 H 1 1.476 0.02 . 1 . . . . . . . . 5680 1 344 . 1 1 36 36 ALA HB3 H 1 1.476 0.02 . 1 . . . . . . . . 5680 1 345 . 1 1 37 37 GLY H H 1 8.391 0.02 . 1 . . . . . . . . 5680 1 346 . 1 1 37 37 GLY N N 15 105.418 0.20 . 1 . . . . . . . . 5680 1 347 . 1 1 37 37 GLY CA C 13 46.912 0.30 . 1 . . . . . . . . 5680 1 348 . 1 1 37 37 GLY HA2 H 1 4.064 0.02 . 1 . . . . . . . . 5680 1 349 . 1 1 37 37 GLY HA3 H 1 4.002 0.02 . 1 . . . . . . . . 5680 1 350 . 1 1 38 38 SER H H 1 7.689 0.02 . 1 . . . . . . . . 5680 1 351 . 1 1 38 38 SER N N 15 116.555 0.20 . 1 . . . . . . . . 5680 1 352 . 1 1 38 38 SER CA C 13 60.804 0.30 . 1 . . . . . . . . 5680 1 353 . 1 1 38 38 SER HA H 1 4.394 0.02 . 1 . . . . . . . . 5680 1 354 . 1 1 38 38 SER CB C 13 63.361 0.30 . 1 . . . . . . . . 5680 1 355 . 1 1 38 38 SER HB2 H 1 4.074 0.02 . 1 . . . . . . . . 5680 1 356 . 1 1 38 38 SER HB3 H 1 4.049 0.02 . 1 . . . . . . . . 5680 1 357 . 1 1 39 39 LEU H H 1 7.213 0.02 . 1 . . . . . . . . 5680 1 358 . 1 1 39 39 LEU N N 15 120.704 0.20 . 1 . . . . . . . . 5680 1 359 . 1 1 39 39 LEU CA C 13 55.354 0.30 . 1 . . . . . . . . 5680 1 360 . 1 1 39 39 LEU HA H 1 3.972 0.02 . 1 . . . . . . . . 5680 1 361 . 1 1 39 39 LEU CB C 13 42.228 0.30 . 1 . . . . . . . . 5680 1 362 . 1 1 39 39 LEU HB2 H 1 1.654 0.02 . 1 . . . . . . . . 5680 1 363 . 1 1 39 39 LEU HB3 H 1 0.985 0.02 . 1 . . . . . . . . 5680 1 364 . 1 1 39 39 LEU CG C 13 26.289 0.30 . 1 . . . . . . . . 5680 1 365 . 1 1 39 39 LEU CD1 C 13 26.289 0.30 . 1 . . . . . . . . 5680 1 366 . 1 1 39 39 LEU HD11 H 1 0.840 0.02 . 1 . . . . . . . . 5680 1 367 . 1 1 39 39 LEU HD12 H 1 0.840 0.02 . 1 . . . . . . . . 5680 1 368 . 1 1 39 39 LEU HD13 H 1 0.840 0.02 . 1 . . . . . . . . 5680 1 369 . 1 1 39 39 LEU CD2 C 13 22.539 0.30 . 1 . . . . . . . . 5680 1 370 . 1 1 39 39 LEU HD21 H 1 0.547 0.02 . 1 . . . . . . . . 5680 1 371 . 1 1 39 39 LEU HD22 H 1 0.547 0.02 . 1 . . . . . . . . 5680 1 372 . 1 1 39 39 LEU HD23 H 1 0.547 0.02 . 1 . . . . . . . . 5680 1 373 . 1 1 39 39 LEU HG H 1 1.687 0.02 . 1 . . . . . . . . 5680 1 374 . 1 1 40 40 GLN H H 1 7.186 0.02 . 1 . . . . . . . . 5680 1 375 . 1 1 40 40 GLN N N 15 117.429 0.20 . 1 . . . . . . . . 5680 1 376 . 1 1 40 40 GLN CA C 13 58.167 0.30 . 1 . . . . . . . . 5680 1 377 . 1 1 40 40 GLN HA H 1 3.805 0.02 . 1 . . . . . . . . 5680 1 378 . 1 1 40 40 GLN CB C 13 29.102 0.30 . 1 . . . . . . . . 5680 1 379 . 1 1 40 40 GLN HB2 H 1 2.217 0.02 . 1 . . . . . . . . 5680 1 380 . 1 1 40 40 GLN HB3 H 1 2.110 0.02 . 1 . . . . . . . . 5680 1 381 . 1 1 40 40 GLN CG C 13 33.477 0.30 . 1 . . . . . . . . 5680 1 382 . 1 1 40 40 GLN HG2 H 1 2.512 0.02 . 2 . . . . . . . . 5680 1 383 . 1 1 41 41 GLY H H 1 8.288 0.02 . 1 . . . . . . . . 5680 1 384 . 1 1 41 41 GLY N N 15 107.165 0.20 . 1 . . . . . . . . 5680 1 385 . 1 1 41 41 GLY CA C 13 45.576 0.30 . 1 . . . . . . . . 5680 1 386 . 1 1 41 41 GLY HA2 H 1 3.986 0.02 . 1 . . . . . . . . 5680 1 387 . 1 1 41 41 GLY HA3 H 1 3.888 0.02 . 1 . . . . . . . . 5680 1 388 . 1 1 42 42 GLN H H 1 7.750 0.02 . 1 . . . . . . . . 5680 1 389 . 1 1 42 42 GLN N N 15 116.992 0.20 . 1 . . . . . . . . 5680 1 390 . 1 1 42 42 GLN CA C 13 55.354 0.30 . 1 . . . . . . . . 5680 1 391 . 1 1 42 42 GLN HA H 1 4.280 0.02 . 1 . . . . . . . . 5680 1 392 . 1 1 42 42 GLN CB C 13 29.102 0.30 . 1 . . . . . . . . 5680 1 393 . 1 1 42 42 GLN HB2 H 1 1.952 0.02 . 1 . . . . . . . . 5680 1 394 . 1 1 42 42 GLN HB3 H 1 1.517 0.02 . 1 . . . . . . . . 5680 1 395 . 1 1 42 42 GLN CG C 13 33.790 0.30 . 1 . . . . . . . . 5680 1 396 . 1 1 42 42 GLN HG2 H 1 2.002 0.02 . 2 . . . . . . . . 5680 1 397 . 1 1 43 43 TRP H H 1 6.955 0.02 . 1 . . . . . . . . 5680 1 398 . 1 1 43 43 TRP N N 15 117.429 0.20 . 1 . . . . . . . . 5680 1 399 . 1 1 43 43 TRP CA C 13 55.706 0.30 . 1 . . . . . . . . 5680 1 400 . 1 1 43 43 TRP HA H 1 4.924 0.02 . 1 . . . . . . . . 5680 1 401 . 1 1 43 43 TRP CB C 13 30.434 0.30 . 1 . . . . . . . . 5680 1 402 . 1 1 43 43 TRP HB2 H 1 3.167 0.02 . 1 . . . . . . . . 5680 1 403 . 1 1 43 43 TRP HB3 H 1 3.119 0.02 . 1 . . . . . . . . 5680 1 404 . 1 1 43 43 TRP HD1 H 1 7.192 0.02 . 1 . . . . . . . . 5680 1 405 . 1 1 43 43 TRP NE1 N 15 129.073 0.20 . 1 . . . . . . . . 5680 1 406 . 1 1 43 43 TRP HE1 H 1 10.230 0.02 . 1 . . . . . . . . 5680 1 407 . 1 1 43 43 TRP HE3 H 1 7.520 0.02 . 1 . . . . . . . . 5680 1 408 . 1 1 43 43 TRP HZ2 H 1 7.179 0.02 . 1 . . . . . . . . 5680 1 409 . 1 1 43 43 TRP HZ3 H 1 6.801 0.02 . 1 . . . . . . . . 5680 1 410 . 1 1 43 43 TRP HH2 H 1 6.933 0.02 . 1 . . . . . . . . 5680 1 411 . 1 1 44 44 ARG H H 1 8.333 0.02 . 1 . . . . . . . . 5680 1 412 . 1 1 44 44 ARG N N 15 120.923 0.20 . 1 . . . . . . . . 5680 1 413 . 1 1 44 44 ARG CA C 13 55.354 0.30 . 1 . . . . . . . . 5680 1 414 . 1 1 44 44 ARG HA H 1 4.771 0.02 . 1 . . . . . . . . 5680 1 415 . 1 1 44 44 ARG CB C 13 33.165 0.30 . 1 . . . . . . . . 5680 1 416 . 1 1 44 44 ARG HB2 H 1 1.920 0.02 . 1 . . . . . . . . 5680 1 417 . 1 1 44 44 ARG HB3 H 1 1.787 0.02 . 1 . . . . . . . . 5680 1 418 . 1 1 44 44 ARG CG C 13 26.914 0.30 . 1 . . . . . . . . 5680 1 419 . 1 1 44 44 ARG HG2 H 1 1.621 0.02 . 2 . . . . . . . . 5680 1 420 . 1 1 44 44 ARG CD C 13 43.478 0.30 . 1 . . . . . . . . 5680 1 421 . 1 1 44 44 ARG HD2 H 1 3.224 0.02 . 1 . . . . . . . . 5680 1 422 . 1 1 44 44 ARG HD3 H 1 3.139 0.02 . 1 . . . . . . . . 5680 1 423 . 1 1 45 45 GLY H H 1 8.560 0.02 . 1 . . . . . . . . 5680 1 424 . 1 1 45 45 GLY N N 15 108.693 0.20 . 1 . . . . . . . . 5680 1 425 . 1 1 45 45 GLY CA C 13 45.467 0.30 . 1 . . . . . . . . 5680 1 426 . 1 1 45 45 GLY HA2 H 1 4.157 0.02 . 1 . . . . . . . . 5680 1 427 . 1 1 45 45 GLY HA3 H 1 3.974 0.02 . 1 . . . . . . . . 5680 1 428 . 1 1 46 46 ALA H H 1 8.698 0.02 . 1 . . . . . . . . 5680 1 429 . 1 1 46 46 ALA N N 15 125.727 0.20 . 1 . . . . . . . . 5680 1 430 . 1 1 46 46 ALA CA C 13 54.729 0.30 . 1 . . . . . . . . 5680 1 431 . 1 1 46 46 ALA HA H 1 4.209 0.02 . 1 . . . . . . . . 5680 1 432 . 1 1 46 46 ALA CB C 13 18.476 0.30 . 1 . . . . . . . . 5680 1 433 . 1 1 46 46 ALA HB1 H 1 1.493 0.02 . 1 . . . . . . . . 5680 1 434 . 1 1 46 46 ALA HB2 H 1 1.493 0.02 . 1 . . . . . . . . 5680 1 435 . 1 1 46 46 ALA HB3 H 1 1.493 0.02 . 1 . . . . . . . . 5680 1 436 . 1 1 47 47 ALA H H 1 8.674 0.02 . 1 . . . . . . . . 5680 1 437 . 1 1 47 47 ALA N N 15 120.704 0.20 . 1 . . . . . . . . 5680 1 438 . 1 1 47 47 ALA CA C 13 54.416 0.30 . 1 . . . . . . . . 5680 1 439 . 1 1 47 47 ALA HA H 1 4.183 0.02 . 1 . . . . . . . . 5680 1 440 . 1 1 47 47 ALA CB C 13 18.476 0.30 . 1 . . . . . . . . 5680 1 441 . 1 1 47 47 ALA HB1 H 1 1.504 0.02 . 1 . . . . . . . . 5680 1 442 . 1 1 47 47 ALA HB2 H 1 1.504 0.02 . 1 . . . . . . . . 5680 1 443 . 1 1 47 47 ALA HB3 H 1 1.504 0.02 . 1 . . . . . . . . 5680 1 444 . 1 1 48 48 GLY H H 1 7.639 0.02 . 1 . . . . . . . . 5680 1 445 . 1 1 48 48 GLY N N 15 106.291 0.20 . 1 . . . . . . . . 5680 1 446 . 1 1 48 48 GLY CA C 13 47.177 0.30 . 1 . . . . . . . . 5680 1 447 . 1 1 48 48 GLY HA2 H 1 3.846 0.02 . 1 . . . . . . . . 5680 1 448 . 1 1 48 48 GLY HA3 H 1 3.684 0.02 . 1 . . . . . . . . 5680 1 449 . 1 1 49 49 THR H H 1 7.944 0.02 . 1 . . . . . . . . 5680 1 450 . 1 1 49 49 THR N N 15 118.302 0.20 . 1 . . . . . . . . 5680 1 451 . 1 1 49 49 THR CA C 13 65.980 0.30 . 1 . . . . . . . . 5680 1 452 . 1 1 49 49 THR HA H 1 3.973 0.02 . 1 . . . . . . . . 5680 1 453 . 1 1 49 49 THR CB C 13 68.793 0.30 . 1 . . . . . . . . 5680 1 454 . 1 1 49 49 THR HB H 1 4.240 0.02 . 1 . . . . . . . . 5680 1 455 . 1 1 49 49 THR CG2 C 13 21.914 0.30 . 1 . . . . . . . . 5680 1 456 . 1 1 49 49 THR HG21 H 1 1.258 0.02 . 1 . . . . . . . . 5680 1 457 . 1 1 49 49 THR HG22 H 1 1.258 0.02 . 1 . . . . . . . . 5680 1 458 . 1 1 49 49 THR HG23 H 1 1.258 0.02 . 1 . . . . . . . . 5680 1 459 . 1 1 50 50 ALA H H 1 7.817 0.02 . 1 . . . . . . . . 5680 1 460 . 1 1 50 50 ALA N N 15 124.417 0.20 . 1 . . . . . . . . 5680 1 461 . 1 1 50 50 ALA CA C 13 54.729 0.30 . 1 . . . . . . . . 5680 1 462 . 1 1 50 50 ALA HA H 1 4.178 0.02 . 1 . . . . . . . . 5680 1 463 . 1 1 50 50 ALA CB C 13 17.851 0.30 . 1 . . . . . . . . 5680 1 464 . 1 1 50 50 ALA HB1 H 1 1.436 0.02 . 1 . . . . . . . . 5680 1 465 . 1 1 50 50 ALA HB2 H 1 1.436 0.02 . 1 . . . . . . . . 5680 1 466 . 1 1 50 50 ALA HB3 H 1 1.436 0.02 . 1 . . . . . . . . 5680 1 467 . 1 1 51 51 ALA H H 1 7.755 0.02 . 1 . . . . . . . . 5680 1 468 . 1 1 51 51 ALA N N 15 122.233 0.20 . 1 . . . . . . . . 5680 1 469 . 1 1 51 51 ALA CA C 13 55.041 0.30 . 1 . . . . . . . . 5680 1 470 . 1 1 51 51 ALA HA H 1 3.899 0.02 . 1 . . . . . . . . 5680 1 471 . 1 1 51 51 ALA CB C 13 16.601 0.30 . 1 . . . . . . . . 5680 1 472 . 1 1 51 51 ALA HB1 H 1 0.563 0.02 . 1 . . . . . . . . 5680 1 473 . 1 1 51 51 ALA HB2 H 1 0.563 0.02 . 1 . . . . . . . . 5680 1 474 . 1 1 51 51 ALA HB3 H 1 0.563 0.02 . 1 . . . . . . . . 5680 1 475 . 1 1 52 52 GLN H H 1 7.884 0.02 . 1 . . . . . . . . 5680 1 476 . 1 1 52 52 GLN N N 15 117.210 0.20 . 1 . . . . . . . . 5680 1 477 . 1 1 52 52 GLN CA C 13 59.417 0.30 . 1 . . . . . . . . 5680 1 478 . 1 1 52 52 GLN HA H 1 3.861 0.02 . 1 . . . . . . . . 5680 1 479 . 1 1 52 52 GLN CB C 13 28.477 0.30 . 1 . . . . . . . . 5680 1 480 . 1 1 52 52 GLN HB2 H 1 2.120 0.02 . 1 . . . . . . . . 5680 1 481 . 1 1 52 52 GLN HB3 H 1 2.098 0.02 . 1 . . . . . . . . 5680 1 482 . 1 1 52 52 GLN CG C 13 34.415 0.30 . 1 . . . . . . . . 5680 1 483 . 1 1 52 52 GLN HG2 H 1 2.391 0.02 . 2 . . . . . . . . 5680 1 484 . 1 1 53 53 ALA H H 1 7.712 0.02 . 1 . . . . . . . . 5680 1 485 . 1 1 53 53 ALA N N 15 120.486 0.20 . 1 . . . . . . . . 5680 1 486 . 1 1 53 53 ALA CA C 13 54.729 0.30 . 1 . . . . . . . . 5680 1 487 . 1 1 53 53 ALA HA H 1 4.191 0.02 . 1 . . . . . . . . 5680 1 488 . 1 1 53 53 ALA CB C 13 17.538 0.30 . 1 . . . . . . . . 5680 1 489 . 1 1 53 53 ALA HB1 H 1 1.503 0.02 . 1 . . . . . . . . 5680 1 490 . 1 1 53 53 ALA HB2 H 1 1.503 0.02 . 1 . . . . . . . . 5680 1 491 . 1 1 53 53 ALA HB3 H 1 1.503 0.02 . 1 . . . . . . . . 5680 1 492 . 1 1 54 54 ALA H H 1 7.876 0.02 . 1 . . . . . . . . 5680 1 493 . 1 1 54 54 ALA N N 15 121.578 0.20 . 1 . . . . . . . . 5680 1 494 . 1 1 54 54 ALA CA C 13 54.416 0.30 . 1 . . . . . . . . 5680 1 495 . 1 1 54 54 ALA HA H 1 4.162 0.02 . 1 . . . . . . . . 5680 1 496 . 1 1 54 54 ALA CB C 13 18.788 0.30 . 1 . . . . . . . . 5680 1 497 . 1 1 54 54 ALA HB1 H 1 1.557 0.02 . 1 . . . . . . . . 5680 1 498 . 1 1 54 54 ALA HB2 H 1 1.557 0.02 . 1 . . . . . . . . 5680 1 499 . 1 1 54 54 ALA HB3 H 1 1.557 0.02 . 1 . . . . . . . . 5680 1 500 . 1 1 55 55 VAL H H 1 8.426 0.02 . 1 . . . . . . . . 5680 1 501 . 1 1 55 55 VAL N N 15 122.888 0.20 . 1 . . . . . . . . 5680 1 502 . 1 1 55 55 VAL CA C 13 67.855 0.30 . 1 . . . . . . . . 5680 1 503 . 1 1 55 55 VAL HA H 1 3.652 0.02 . 1 . . . . . . . . 5680 1 504 . 1 1 55 55 VAL CB C 13 31.602 0.30 . 1 . . . . . . . . 5680 1 505 . 1 1 55 55 VAL HB H 1 2.456 0.02 . 1 . . . . . . . . 5680 1 506 . 1 1 55 55 VAL CG1 C 13 23.789 0.30 . 1 . . . . . . . . 5680 1 507 . 1 1 55 55 VAL HG11 H 1 1.151 0.02 . 1 . . . . . . . . 5680 1 508 . 1 1 55 55 VAL HG12 H 1 1.151 0.02 . 1 . . . . . . . . 5680 1 509 . 1 1 55 55 VAL HG13 H 1 1.151 0.02 . 1 . . . . . . . . 5680 1 510 . 1 1 55 55 VAL CG2 C 13 21.289 0.30 . 1 . . . . . . . . 5680 1 511 . 1 1 55 55 VAL HG21 H 1 1.036 0.02 . 1 . . . . . . . . 5680 1 512 . 1 1 55 55 VAL HG22 H 1 1.036 0.02 . 1 . . . . . . . . 5680 1 513 . 1 1 55 55 VAL HG23 H 1 1.036 0.02 . 1 . . . . . . . . 5680 1 514 . 1 1 56 56 VAL H H 1 7.847 0.02 . 1 . . . . . . . . 5680 1 515 . 1 1 56 56 VAL N N 15 120.923 0.20 . 1 . . . . . . . . 5680 1 516 . 1 1 56 56 VAL CA C 13 66.605 0.30 . 1 . . . . . . . . 5680 1 517 . 1 1 56 56 VAL HA H 1 3.942 0.02 . 1 . . . . . . . . 5680 1 518 . 1 1 56 56 VAL CB C 13 31.914 0.30 . 1 . . . . . . . . 5680 1 519 . 1 1 56 56 VAL HB H 1 2.189 0.02 . 1 . . . . . . . . 5680 1 520 . 1 1 56 56 VAL CG1 C 13 22.851 0.30 . 1 . . . . . . . . 5680 1 521 . 1 1 56 56 VAL HG11 H 1 1.159 0.02 . 1 . . . . . . . . 5680 1 522 . 1 1 56 56 VAL HG12 H 1 1.159 0.02 . 1 . . . . . . . . 5680 1 523 . 1 1 56 56 VAL HG13 H 1 1.159 0.02 . 1 . . . . . . . . 5680 1 524 . 1 1 56 56 VAL CG2 C 13 21.289 0.30 . 1 . . . . . . . . 5680 1 525 . 1 1 56 56 VAL HG21 H 1 1.018 0.02 . 1 . . . . . . . . 5680 1 526 . 1 1 56 56 VAL HG22 H 1 1.018 0.02 . 1 . . . . . . . . 5680 1 527 . 1 1 56 56 VAL HG23 H 1 1.018 0.02 . 1 . . . . . . . . 5680 1 528 . 1 1 57 57 ARG H H 1 7.849 0.02 . 1 . . . . . . . . 5680 1 529 . 1 1 57 57 ARG N N 15 118.739 0.20 . 1 . . . . . . . . 5680 1 530 . 1 1 57 57 ARG CA C 13 59.417 0.30 . 1 . . . . . . . . 5680 1 531 . 1 1 57 57 ARG HA H 1 4.244 0.02 . 1 . . . . . . . . 5680 1 532 . 1 1 57 57 ARG CB C 13 30.039 0.30 . 1 . . . . . . . . 5680 1 533 . 1 1 57 57 ARG HB2 H 1 2.051 0.02 . 1 . . . . . . . . 5680 1 534 . 1 1 57 57 ARG HB3 H 1 1.997 0.02 . 1 . . . . . . . . 5680 1 535 . 1 1 57 57 ARG CG C 13 26.914 0.30 . 1 . . . . . . . . 5680 1 536 . 1 1 57 57 ARG HG2 H 1 1.598 0.02 . 2 . . . . . . . . 5680 1 537 . 1 1 57 57 ARG CD C 13 43.478 0.30 . 1 . . . . . . . . 5680 1 538 . 1 1 57 57 ARG HD2 H 1 3.224 0.02 . 1 . . . . . . . . 5680 1 539 . 1 1 57 57 ARG HD3 H 1 3.139 0.02 . 1 . . . . . . . . 5680 1 540 . 1 1 58 58 PHE H H 1 8.086 0.02 . 1 . . . . . . . . 5680 1 541 . 1 1 58 58 PHE N N 15 119.176 0.20 . 1 . . . . . . . . 5680 1 542 . 1 1 58 58 PHE CA C 13 62.033 0.30 . 1 . . . . . . . . 5680 1 543 . 1 1 58 58 PHE HA H 1 4.157 0.02 . 1 . . . . . . . . 5680 1 544 . 1 1 58 58 PHE CB C 13 38.829 0.30 . 1 . . . . . . . . 5680 1 545 . 1 1 58 58 PHE HB2 H 1 3.419 0.02 . 1 . . . . . . . . 5680 1 546 . 1 1 58 58 PHE HB3 H 1 2.994 0.02 . 1 . . . . . . . . 5680 1 547 . 1 1 58 58 PHE HD1 H 1 7.326 0.02 . 2 . . . . . . . . 5680 1 548 . 1 1 58 58 PHE HE1 H 1 7.020 0.02 . 2 . . . . . . . . 5680 1 549 . 1 1 58 58 PHE HZ H 1 7.158 0.02 . 1 . . . . . . . . 5680 1 550 . 1 1 59 59 GLN H H 1 9.019 0.02 . 1 . . . . . . . . 5680 1 551 . 1 1 59 59 GLN N N 15 121.141 0.20 . 1 . . . . . . . . 5680 1 552 . 1 1 59 59 GLN CA C 13 59.729 0.30 . 1 . . . . . . . . 5680 1 553 . 1 1 59 59 GLN HA H 1 3.476 0.02 . 1 . . . . . . . . 5680 1 554 . 1 1 59 59 GLN CB C 13 28.477 0.30 . 1 . . . . . . . . 5680 1 555 . 1 1 59 59 GLN HB2 H 1 2.421 0.02 . 1 . . . . . . . . 5680 1 556 . 1 1 59 59 GLN HB3 H 1 2.017 0.02 . 1 . . . . . . . . 5680 1 557 . 1 1 59 59 GLN CG C 13 34.727 0.30 . 1 . . . . . . . . 5680 1 558 . 1 1 59 59 GLN HG2 H 1 2.685 0.02 . 1 . . . . . . . . 5680 1 559 . 1 1 59 59 GLN HG3 H 1 2.458 0.02 . 1 . . . . . . . . 5680 1 560 . 1 1 60 60 GLU H H 1 8.120 0.02 . 1 . . . . . . . . 5680 1 561 . 1 1 60 60 GLU N N 15 118.521 0.20 . 1 . . . . . . . . 5680 1 562 . 1 1 60 60 GLU CA C 13 59.417 0.30 . 1 . . . . . . . . 5680 1 563 . 1 1 60 60 GLU HA H 1 4.077 0.02 . 1 . . . . . . . . 5680 1 564 . 1 1 60 60 GLU CB C 13 29.414 0.30 . 1 . . . . . . . . 5680 1 565 . 1 1 60 60 GLU HB2 H 1 2.143 0.02 . 1 . . . . . . . . 5680 1 566 . 1 1 60 60 GLU HB3 H 1 2.053 0.02 . 1 . . . . . . . . 5680 1 567 . 1 1 60 60 GLU CG C 13 36.602 0.30 . 1 . . . . . . . . 5680 1 568 . 1 1 60 60 GLU HG2 H 1 2.464 0.02 . 1 . . . . . . . . 5680 1 569 . 1 1 60 60 GLU HG3 H 1 2.260 0.02 . 1 . . . . . . . . 5680 1 570 . 1 1 61 61 ALA H H 1 7.698 0.02 . 1 . . . . . . . . 5680 1 571 . 1 1 61 61 ALA N N 15 122.451 0.20 . 1 . . . . . . . . 5680 1 572 . 1 1 61 61 ALA CA C 13 54.729 0.30 . 1 . . . . . . . . 5680 1 573 . 1 1 61 61 ALA HA H 1 4.043 0.02 . 1 . . . . . . . . 5680 1 574 . 1 1 61 61 ALA CB C 13 19.101 0.30 . 1 . . . . . . . . 5680 1 575 . 1 1 61 61 ALA HB1 H 1 1.435 0.02 . 1 . . . . . . . . 5680 1 576 . 1 1 61 61 ALA HB2 H 1 1.435 0.02 . 1 . . . . . . . . 5680 1 577 . 1 1 61 61 ALA HB3 H 1 1.435 0.02 . 1 . . . . . . . . 5680 1 578 . 1 1 62 62 ALA H H 1 9.125 0.02 . 1 . . . . . . . . 5680 1 579 . 1 1 62 62 ALA N N 15 122.670 0.20 . 1 . . . . . . . . 5680 1 580 . 1 1 62 62 ALA CA C 13 55.041 0.30 . 1 . . . . . . . . 5680 1 581 . 1 1 62 62 ALA HA H 1 3.652 0.02 . 1 . . . . . . . . 5680 1 582 . 1 1 62 62 ALA CB C 13 18.476 0.30 . 1 . . . . . . . . 5680 1 583 . 1 1 62 62 ALA HB1 H 1 0.953 0.02 . 1 . . . . . . . . 5680 1 584 . 1 1 62 62 ALA HB2 H 1 0.953 0.02 . 1 . . . . . . . . 5680 1 585 . 1 1 62 62 ALA HB3 H 1 0.953 0.02 . 1 . . . . . . . . 5680 1 586 . 1 1 63 63 ASN H H 1 8.208 0.02 . 1 . . . . . . . . 5680 1 587 . 1 1 63 63 ASN N N 15 117.647 0.20 . 1 . . . . . . . . 5680 1 588 . 1 1 63 63 ASN CA C 13 56.403 0.30 . 1 . . . . . . . . 5680 1 589 . 1 1 63 63 ASN HA H 1 4.415 0.02 . 1 . . . . . . . . 5680 1 590 . 1 1 63 63 ASN CB C 13 37.848 0.30 . 1 . . . . . . . . 5680 1 591 . 1 1 63 63 ASN HB2 H 1 2.913 0.02 . 1 . . . . . . . . 5680 1 592 . 1 1 63 63 ASN HB3 H 1 2.824 0.02 . 1 . . . . . . . . 5680 1 593 . 1 1 64 64 LYS H H 1 7.627 0.02 . 1 . . . . . . . . 5680 1 594 . 1 1 64 64 LYS N N 15 119.831 0.20 . 1 . . . . . . . . 5680 1 595 . 1 1 64 64 LYS CA C 13 59.417 0.30 . 1 . . . . . . . . 5680 1 596 . 1 1 64 64 LYS HA H 1 4.064 0.02 . 1 . . . . . . . . 5680 1 597 . 1 1 64 64 LYS CB C 13 32.227 0.30 . 1 . . . . . . . . 5680 1 598 . 1 1 64 64 LYS HB2 H 1 1.910 0.02 . 1 . . . . . . . . 5680 1 599 . 1 1 64 64 LYS HB3 H 1 1.858 0.02 . 1 . . . . . . . . 5680 1 600 . 1 1 64 64 LYS CG C 13 25.664 0.30 . 1 . . . . . . . . 5680 1 601 . 1 1 64 64 LYS HG2 H 1 1.650 0.02 . 1 . . . . . . . . 5680 1 602 . 1 1 64 64 LYS HG3 H 1 1.486 0.02 . 1 . . . . . . . . 5680 1 603 . 1 1 64 64 LYS CD C 13 29.102 0.30 . 1 . . . . . . . . 5680 1 604 . 1 1 64 64 LYS HD2 H 1 1.715 0.02 . 2 . . . . . . . . 5680 1 605 . 1 1 64 64 LYS CE C 13 41.915 0.30 . 1 . . . . . . . . 5680 1 606 . 1 1 64 64 LYS HE2 H 1 2.959 0.02 . 1 . . . . . . . . 5680 1 607 . 1 1 65 65 GLN H H 1 8.059 0.02 . 1 . . . . . . . . 5680 1 608 . 1 1 65 65 GLN N N 15 120.049 0.20 . 1 . . . . . . . . 5680 1 609 . 1 1 65 65 GLN CA C 13 58.479 0.30 . 1 . . . . . . . . 5680 1 610 . 1 1 65 65 GLN HA H 1 3.769 0.02 . 1 . . . . . . . . 5680 1 611 . 1 1 65 65 GLN CB C 13 28.789 0.30 . 1 . . . . . . . . 5680 1 612 . 1 1 65 65 GLN HB2 H 1 2.101 0.02 . 1 . . . . . . . . 5680 1 613 . 1 1 65 65 GLN HB3 H 1 2.041 0.02 . 1 . . . . . . . . 5680 1 614 . 1 1 65 65 GLN CG C 13 33.477 0.30 . 1 . . . . . . . . 5680 1 615 . 1 1 65 65 GLN HG2 H 1 2.509 0.02 . 2 . . . . . . . . 5680 1 616 . 1 1 66 66 LYS H H 1 8.592 0.02 . 1 . . . . . . . . 5680 1 617 . 1 1 66 66 LYS N N 15 119.613 0.20 . 1 . . . . . . . . 5680 1 618 . 1 1 66 66 LYS CA C 13 61.917 0.30 . 1 . . . . . . . . 5680 1 619 . 1 1 66 66 LYS HA H 1 3.817 0.02 . 1 . . . . . . . . 5680 1 620 . 1 1 66 66 LYS CB C 13 32.227 0.30 . 1 . . . . . . . . 5680 1 621 . 1 1 66 66 LYS HB2 H 1 2.063 0.02 . 1 . . . . . . . . 5680 1 622 . 1 1 66 66 LYS HB3 H 1 2.035 0.02 . 1 . . . . . . . . 5680 1 623 . 1 1 66 66 LYS CG C 13 27.539 0.30 . 1 . . . . . . . . 5680 1 624 . 1 1 66 66 LYS HG2 H 1 1.187 0.02 . 2 . . . . . . . . 5680 1 625 . 1 1 66 66 LYS CD C 13 30.352 0.30 . 1 . . . . . . . . 5680 1 626 . 1 1 66 66 LYS HD2 H 1 1.795 0.02 . 2 . . . . . . . . 5680 1 627 . 1 1 66 66 LYS CE C 13 41.603 0.30 . 1 . . . . . . . . 5680 1 628 . 1 1 66 66 LYS HE2 H 1 2.829 0.02 . 1 . . . . . . . . 5680 1 629 . 1 1 67 67 GLN H H 1 7.975 0.02 . 1 . . . . . . . . 5680 1 630 . 1 1 67 67 GLN N N 15 117.647 0.20 . 1 . . . . . . . . 5680 1 631 . 1 1 67 67 GLN CA C 13 59.104 0.30 . 1 . . . . . . . . 5680 1 632 . 1 1 67 67 GLN HA H 1 4.126 0.02 . 1 . . . . . . . . 5680 1 633 . 1 1 67 67 GLN CB C 13 28.477 0.30 . 1 . . . . . . . . 5680 1 634 . 1 1 67 67 GLN HB2 H 1 2.201 0.02 . 1 . . . . . . . . 5680 1 635 . 1 1 67 67 GLN HB3 H 1 2.166 0.02 . 1 . . . . . . . . 5680 1 636 . 1 1 67 67 GLN CG C 13 34.102 0.30 . 1 . . . . . . . . 5680 1 637 . 1 1 67 67 GLN HG2 H 1 2.572 0.02 . 2 . . . . . . . . 5680 1 638 . 1 1 68 68 GLU H H 1 7.931 0.02 . 1 . . . . . . . . 5680 1 639 . 1 1 68 68 GLU N N 15 120.268 0.20 . 1 . . . . . . . . 5680 1 640 . 1 1 68 68 GLU CA C 13 58.479 0.30 . 1 . . . . . . . . 5680 1 641 . 1 1 68 68 GLU HA H 1 4.292 0.02 . 1 . . . . . . . . 5680 1 642 . 1 1 68 68 GLU CB C 13 28.477 0.30 . 1 . . . . . . . . 5680 1 643 . 1 1 68 68 GLU HB2 H 1 2.411 0.02 . 1 . . . . . . . . 5680 1 644 . 1 1 68 68 GLU HB3 H 1 2.164 0.02 . 1 . . . . . . . . 5680 1 645 . 1 1 68 68 GLU CG C 13 33.790 0.30 . 1 . . . . . . . . 5680 1 646 . 1 1 68 68 GLU HG2 H 1 2.476 0.02 . 2 . . . . . . . . 5680 1 647 . 1 1 69 69 LEU H H 1 8.354 0.02 . 1 . . . . . . . . 5680 1 648 . 1 1 69 69 LEU N N 15 118.739 0.20 . 1 . . . . . . . . 5680 1 649 . 1 1 69 69 LEU CA C 13 58.792 0.30 . 1 . . . . . . . . 5680 1 650 . 1 1 69 69 LEU HA H 1 4.361 0.02 . 1 . . . . . . . . 5680 1 651 . 1 1 69 69 LEU CB C 13 40.978 0.30 . 1 . . . . . . . . 5680 1 652 . 1 1 69 69 LEU HB2 H 1 2.252 0.02 . 1 . . . . . . . . 5680 1 653 . 1 1 69 69 LEU HB3 H 1 1.935 0.02 . 1 . . . . . . . . 5680 1 654 . 1 1 69 69 LEU CD1 C 13 22.539 0.30 . 1 . . . . . . . . 5680 1 655 . 1 1 69 69 LEU HD11 H 1 1.273 0.02 . 1 . . . . . . . . 5680 1 656 . 1 1 69 69 LEU HD12 H 1 1.273 0.02 . 1 . . . . . . . . 5680 1 657 . 1 1 69 69 LEU HD13 H 1 1.273 0.02 . 1 . . . . . . . . 5680 1 658 . 1 1 69 69 LEU CD2 C 13 25.664 0.30 . 1 . . . . . . . . 5680 1 659 . 1 1 69 69 LEU HD21 H 1 1.091 0.02 . 1 . . . . . . . . 5680 1 660 . 1 1 69 69 LEU HD22 H 1 1.091 0.02 . 1 . . . . . . . . 5680 1 661 . 1 1 69 69 LEU HD23 H 1 1.091 0.02 . 1 . . . . . . . . 5680 1 662 . 1 1 70 70 ASP H H 1 7.880 0.02 . 1 . . . . . . . . 5680 1 663 . 1 1 70 70 ASP N N 15 119.613 0.20 . 1 . . . . . . . . 5680 1 664 . 1 1 70 70 ASP CA C 13 57.525 0.30 . 1 . . . . . . . . 5680 1 665 . 1 1 70 70 ASP HA H 1 4.561 0.02 . 1 . . . . . . . . 5680 1 666 . 1 1 70 70 ASP CB C 13 39.919 0.30 . 1 . . . . . . . . 5680 1 667 . 1 1 70 70 ASP HB2 H 1 2.868 0.02 . 1 . . . . . . . . 5680 1 668 . 1 1 70 70 ASP HB3 H 1 2.802 0.02 . 1 . . . . . . . . 5680 1 669 . 1 1 71 71 GLU H H 1 8.387 0.02 . 1 . . . . . . . . 5680 1 670 . 1 1 71 71 GLU N N 15 123.762 0.20 . 1 . . . . . . . . 5680 1 671 . 1 1 71 71 GLU CA C 13 59.729 0.30 . 1 . . . . . . . . 5680 1 672 . 1 1 71 71 GLU HA H 1 4.173 0.02 . 1 . . . . . . . . 5680 1 673 . 1 1 71 71 GLU CB C 13 29.727 0.30 . 1 . . . . . . . . 5680 1 674 . 1 1 71 71 GLU HB2 H 1 2.308 0.02 . 1 . . . . . . . . 5680 1 675 . 1 1 71 71 GLU HB3 H 1 2.288 0.02 . 1 . . . . . . . . 5680 1 676 . 1 1 71 71 GLU CG C 13 36.602 0.30 . 1 . . . . . . . . 5680 1 677 . 1 1 71 71 GLU HG2 H 1 2.477 0.02 . 1 . . . . . . . . 5680 1 678 . 1 1 71 71 GLU HG3 H 1 2.359 0.02 . 1 . . . . . . . . 5680 1 679 . 1 1 72 72 ILE H H 1 8.679 0.02 . 1 . . . . . . . . 5680 1 680 . 1 1 72 72 ILE N N 15 121.141 0.20 . 1 . . . . . . . . 5680 1 681 . 1 1 72 72 ILE CA C 13 66.292 0.30 . 1 . . . . . . . . 5680 1 682 . 1 1 72 72 ILE HA H 1 3.951 0.02 . 1 . . . . . . . . 5680 1 683 . 1 1 72 72 ILE CB C 13 37.852 0.30 . 1 . . . . . . . . 5680 1 684 . 1 1 72 72 ILE HB H 1 2.210 0.02 . 1 . . . . . . . . 5680 1 685 . 1 1 72 72 ILE CG2 C 13 18.788 0.30 . 1 . . . . . . . . 5680 1 686 . 1 1 72 72 ILE HG21 H 1 0.615 0.02 . 1 . . . . . . . . 5680 1 687 . 1 1 72 72 ILE HG22 H 1 0.615 0.02 . 1 . . . . . . . . 5680 1 688 . 1 1 72 72 ILE HG23 H 1 0.615 0.02 . 1 . . . . . . . . 5680 1 689 . 1 1 72 72 ILE CG1 C 13 30.039 0.30 . 1 . . . . . . . . 5680 1 690 . 1 1 72 72 ILE HG12 H 1 2.131 0.02 . 1 . . . . . . . . 5680 1 691 . 1 1 72 72 ILE HG13 H 1 1.263 0.02 . 1 . . . . . . . . 5680 1 692 . 1 1 72 72 ILE CD1 C 13 14.725 0.30 . 1 . . . . . . . . 5680 1 693 . 1 1 72 72 ILE HD11 H 1 1.222 0.02 . 1 . . . . . . . . 5680 1 694 . 1 1 72 72 ILE HD12 H 1 1.222 0.02 . 1 . . . . . . . . 5680 1 695 . 1 1 72 72 ILE HD13 H 1 1.222 0.02 . 1 . . . . . . . . 5680 1 696 . 1 1 73 73 SER H H 1 8.502 0.02 . 1 . . . . . . . . 5680 1 697 . 1 1 73 73 SER N N 15 114.808 0.20 . 1 . . . . . . . . 5680 1 698 . 1 1 73 73 SER CA C 13 60.354 0.30 . 1 . . . . . . . . 5680 1 699 . 1 1 73 73 SER HA H 1 4.448 0.02 . 1 . . . . . . . . 5680 1 700 . 1 1 73 73 SER CB C 13 63.480 0.30 . 1 . . . . . . . . 5680 1 701 . 1 1 73 73 SER HB2 H 1 3.943 0.02 . 1 . . . . . . . . 5680 1 702 . 1 1 73 73 SER HB3 H 1 3.914 0.02 . 1 . . . . . . . . 5680 1 703 . 1 1 74 74 THR H H 1 8.194 0.02 . 1 . . . . . . . . 5680 1 704 . 1 1 74 74 THR N N 15 117.210 0.20 . 1 . . . . . . . . 5680 1 705 . 1 1 74 74 THR CA C 13 66.917 0.30 . 1 . . . . . . . . 5680 1 706 . 1 1 74 74 THR HA H 1 3.976 0.02 . 1 . . . . . . . . 5680 1 707 . 1 1 74 74 THR CB C 13 68.793 0.30 . 1 . . . . . . . . 5680 1 708 . 1 1 74 74 THR HB H 1 4.462 0.02 . 1 . . . . . . . . 5680 1 709 . 1 1 74 74 THR CG2 C 13 21.914 0.30 . 1 . . . . . . . . 5680 1 710 . 1 1 74 74 THR HG21 H 1 1.283 0.02 . 1 . . . . . . . . 5680 1 711 . 1 1 74 74 THR HG22 H 1 1.283 0.02 . 1 . . . . . . . . 5680 1 712 . 1 1 74 74 THR HG23 H 1 1.283 0.02 . 1 . . . . . . . . 5680 1 713 . 1 1 75 75 ASN H H 1 8.251 0.02 . 1 . . . . . . . . 5680 1 714 . 1 1 75 75 ASN N N 15 120.704 0.20 . 1 . . . . . . . . 5680 1 715 . 1 1 75 75 ASN CA C 13 56.797 0.30 . 1 . . . . . . . . 5680 1 716 . 1 1 75 75 ASN HA H 1 4.482 0.02 . 1 . . . . . . . . 5680 1 717 . 1 1 75 75 ASN CB C 13 39.359 0.30 . 1 . . . . . . . . 5680 1 718 . 1 1 75 75 ASN HB2 H 1 3.135 0.02 . 1 . . . . . . . . 5680 1 719 . 1 1 75 75 ASN HB3 H 1 2.613 0.02 . 1 . . . . . . . . 5680 1 720 . 1 1 76 76 ILE H H 1 8.398 0.02 . 1 . . . . . . . . 5680 1 721 . 1 1 76 76 ILE N N 15 118.302 0.20 . 1 . . . . . . . . 5680 1 722 . 1 1 76 76 ILE CA C 13 65.355 0.30 . 1 . . . . . . . . 5680 1 723 . 1 1 76 76 ILE HA H 1 3.437 0.02 . 1 . . . . . . . . 5680 1 724 . 1 1 76 76 ILE CB C 13 37.852 0.30 . 1 . . . . . . . . 5680 1 725 . 1 1 76 76 ILE HB H 1 1.983 0.02 . 1 . . . . . . . . 5680 1 726 . 1 1 76 76 ILE CG2 C 13 18.476 0.30 . 1 . . . . . . . . 5680 1 727 . 1 1 76 76 ILE HG21 H 1 0.789 0.02 . 1 . . . . . . . . 5680 1 728 . 1 1 76 76 ILE HG22 H 1 0.789 0.02 . 1 . . . . . . . . 5680 1 729 . 1 1 76 76 ILE HG23 H 1 0.789 0.02 . 1 . . . . . . . . 5680 1 730 . 1 1 76 76 ILE CG1 C 13 28.164 0.30 . 1 . . . . . . . . 5680 1 731 . 1 1 76 76 ILE HG12 H 1 1.627 0.02 . 1 . . . . . . . . 5680 1 732 . 1 1 76 76 ILE HG13 H 1 0.981 0.02 . 1 . . . . . . . . 5680 1 733 . 1 1 76 76 ILE CD1 C 13 15.038 0.30 . 1 . . . . . . . . 5680 1 734 . 1 1 76 76 ILE HD11 H 1 0.663 0.02 . 1 . . . . . . . . 5680 1 735 . 1 1 76 76 ILE HD12 H 1 0.663 0.02 . 1 . . . . . . . . 5680 1 736 . 1 1 76 76 ILE HD13 H 1 0.663 0.02 . 1 . . . . . . . . 5680 1 737 . 1 1 77 77 ARG H H 1 7.707 0.02 . 1 . . . . . . . . 5680 1 738 . 1 1 77 77 ARG N N 15 119.831 0.20 . 1 . . . . . . . . 5680 1 739 . 1 1 77 77 ARG CA C 13 59.104 0.30 . 1 . . . . . . . . 5680 1 740 . 1 1 77 77 ARG HA H 1 4.250 0.02 . 1 . . . . . . . . 5680 1 741 . 1 1 77 77 ARG CB C 13 30.352 0.30 . 1 . . . . . . . . 5680 1 742 . 1 1 77 77 ARG HB2 H 1 2.006 0.02 . 1 . . . . . . . . 5680 1 743 . 1 1 77 77 ARG HB3 H 1 1.979 0.02 . 1 . . . . . . . . 5680 1 744 . 1 1 77 77 ARG CG C 13 27.852 0.30 . 1 . . . . . . . . 5680 1 745 . 1 1 77 77 ARG HG2 H 1 1.859 0.02 . 1 . . . . . . . . 5680 1 746 . 1 1 77 77 ARG HG3 H 1 1.696 0.02 . 1 . . . . . . . . 5680 1 747 . 1 1 77 77 ARG CD C 13 43.478 0.30 . 1 . . . . . . . . 5680 1 748 . 1 1 77 77 ARG HD2 H 1 3.259 0.02 . 1 . . . . . . . . 5680 1 749 . 1 1 77 77 ARG HD3 H 1 3.228 0.02 . 1 . . . . . . . . 5680 1 750 . 1 1 78 78 GLN H H 1 8.226 0.02 . 1 . . . . . . . . 5680 1 751 . 1 1 78 78 GLN N N 15 118.957 0.20 . 1 . . . . . . . . 5680 1 752 . 1 1 78 78 GLN CA C 13 57.854 0.30 . 1 . . . . . . . . 5680 1 753 . 1 1 78 78 GLN HA H 1 4.154 0.02 . 1 . . . . . . . . 5680 1 754 . 1 1 78 78 GLN CB C 13 28.477 0.30 . 1 . . . . . . . . 5680 1 755 . 1 1 78 78 GLN HB2 H 1 2.193 0.02 . 1 . . . . . . . . 5680 1 756 . 1 1 78 78 GLN HB3 H 1 2.139 0.02 . 1 . . . . . . . . 5680 1 757 . 1 1 78 78 GLN CG C 13 34.102 0.30 . 1 . . . . . . . . 5680 1 758 . 1 1 78 78 GLN HG2 H 1 2.563 0.02 . 1 . . . . . . . . 5680 1 759 . 1 1 78 78 GLN HG3 H 1 2.436 0.02 . 1 . . . . . . . . 5680 1 760 . 1 1 79 79 ALA H H 1 7.649 0.02 . 1 . . . . . . . . 5680 1 761 . 1 1 79 79 ALA N N 15 121.360 0.20 . 1 . . . . . . . . 5680 1 762 . 1 1 79 79 ALA CA C 13 52.854 0.30 . 1 . . . . . . . . 5680 1 763 . 1 1 79 79 ALA HA H 1 4.260 0.02 . 1 . . . . . . . . 5680 1 764 . 1 1 79 79 ALA CB C 13 18.476 0.30 . 1 . . . . . . . . 5680 1 765 . 1 1 79 79 ALA HB1 H 1 1.382 0.02 . 1 . . . . . . . . 5680 1 766 . 1 1 79 79 ALA HB2 H 1 1.382 0.02 . 1 . . . . . . . . 5680 1 767 . 1 1 79 79 ALA HB3 H 1 1.382 0.02 . 1 . . . . . . . . 5680 1 768 . 1 1 80 80 GLY H H 1 7.884 0.02 . 1 . . . . . . . . 5680 1 769 . 1 1 80 80 GLY N N 15 105.418 0.20 . 1 . . . . . . . . 5680 1 770 . 1 1 80 80 GLY CA C 13 45.715 0.30 . 1 . . . . . . . . 5680 1 771 . 1 1 80 80 GLY HA2 H 1 4.062 0.02 . 1 . . . . . . . . 5680 1 772 . 1 1 80 80 GLY HA3 H 1 3.848 0.02 . 1 . . . . . . . . 5680 1 773 . 1 1 81 81 VAL H H 1 7.388 0.02 . 1 . . . . . . . . 5680 1 774 . 1 1 81 81 VAL N N 15 119.176 0.20 . 1 . . . . . . . . 5680 1 775 . 1 1 81 81 VAL CA C 13 63.167 0.30 . 1 . . . . . . . . 5680 1 776 . 1 1 81 81 VAL HA H 1 3.970 0.02 . 1 . . . . . . . . 5680 1 777 . 1 1 81 81 VAL CB C 13 31.914 0.30 . 1 . . . . . . . . 5680 1 778 . 1 1 81 81 VAL HB H 1 2.044 0.02 . 1 . . . . . . . . 5680 1 779 . 1 1 81 81 VAL CG1 C 13 20.976 0.30 . 1 . . . . . . . . 5680 1 780 . 1 1 81 81 VAL HG11 H 1 0.854 0.02 . 1 . . . . . . . . 5680 1 781 . 1 1 81 81 VAL HG12 H 1 0.854 0.02 . 1 . . . . . . . . 5680 1 782 . 1 1 81 81 VAL HG13 H 1 0.854 0.02 . 1 . . . . . . . . 5680 1 783 . 1 1 81 81 VAL CG2 C 13 21.289 0.30 . 1 . . . . . . . . 5680 1 784 . 1 1 81 81 VAL HG21 H 1 0.787 0.02 . 1 . . . . . . . . 5680 1 785 . 1 1 81 81 VAL HG22 H 1 0.787 0.02 . 1 . . . . . . . . 5680 1 786 . 1 1 81 81 VAL HG23 H 1 0.787 0.02 . 1 . . . . . . . . 5680 1 787 . 1 1 82 82 GLN H H 1 8.224 0.02 . 1 . . . . . . . . 5680 1 788 . 1 1 82 82 GLN N N 15 123.325 0.20 . 1 . . . . . . . . 5680 1 789 . 1 1 82 82 GLN CA C 13 55.666 0.30 . 1 . . . . . . . . 5680 1 790 . 1 1 82 82 GLN HA H 1 4.321 0.02 . 1 . . . . . . . . 5680 1 791 . 1 1 82 82 GLN CB C 13 29.414 0.30 . 1 . . . . . . . . 5680 1 792 . 1 1 82 82 GLN HB2 H 1 1.978 0.02 . 1 . . . . . . . . 5680 1 793 . 1 1 82 82 GLN HB3 H 1 1.943 0.02 . 1 . . . . . . . . 5680 1 794 . 1 1 82 82 GLN CG C 13 33.790 0.30 . 1 . . . . . . . . 5680 1 795 . 1 1 82 82 GLN HG2 H 1 2.226 0.02 . 2 . . . . . . . . 5680 1 796 . 1 1 83 83 TYR H H 1 8.034 0.02 . 1 . . . . . . . . 5680 1 797 . 1 1 83 83 TYR N N 15 120.923 0.20 . 1 . . . . . . . . 5680 1 798 . 1 1 83 83 TYR CA C 13 57.946 0.30 . 1 . . . . . . . . 5680 1 799 . 1 1 83 83 TYR HA H 1 4.617 0.02 . 1 . . . . . . . . 5680 1 800 . 1 1 83 83 TYR CB C 13 38.898 0.30 . 1 . . . . . . . . 5680 1 801 . 1 1 83 83 TYR HB2 H 1 3.019 0.02 . 1 . . . . . . . . 5680 1 802 . 1 1 83 83 TYR HB3 H 1 2.989 0.02 . 1 . . . . . . . . 5680 1 803 . 1 1 83 83 TYR HD1 H 1 7.063 0.02 . 2 . . . . . . . . 5680 1 804 . 1 1 83 83 TYR HE1 H 1 6.769 0.02 . 2 . . . . . . . . 5680 1 805 . 1 1 84 84 SER H H 1 8.079 0.02 . 1 . . . . . . . . 5680 1 806 . 1 1 84 84 SER N N 15 117.429 0.20 . 1 . . . . . . . . 5680 1 807 . 1 1 84 84 SER CA C 13 58.096 0.30 . 1 . . . . . . . . 5680 1 808 . 1 1 84 84 SER HA H 1 4.441 0.02 . 1 . . . . . . . . 5680 1 809 . 1 1 84 84 SER CB C 13 64.058 0.30 . 1 . . . . . . . . 5680 1 810 . 1 1 84 84 SER HB2 H 1 3.844 0.02 . 1 . . . . . . . . 5680 1 811 . 1 1 84 84 SER HB3 H 1 3.819 0.02 . 1 . . . . . . . . 5680 1 812 . 1 1 85 85 ARG H H 1 8.282 0.02 . 1 . . . . . . . . 5680 1 813 . 1 1 85 85 ARG N N 15 123.325 0.20 . 1 . . . . . . . . 5680 1 814 . 1 1 85 85 ARG CA C 13 56.291 0.30 . 1 . . . . . . . . 5680 1 815 . 1 1 85 85 ARG HA H 1 4.359 0.02 . 1 . . . . . . . . 5680 1 816 . 1 1 85 85 ARG CB C 13 30.977 0.30 . 1 . . . . . . . . 5680 1 817 . 1 1 85 85 ARG HB2 H 1 1.931 0.02 . 1 . . . . . . . . 5680 1 818 . 1 1 85 85 ARG HB3 H 1 1.775 0.02 . 1 . . . . . . . . 5680 1 819 . 1 1 85 85 ARG CG C 13 27.227 0.30 . 1 . . . . . . . . 5680 1 820 . 1 1 85 85 ARG HG2 H 1 1.668 0.02 . 2 . . . . . . . . 5680 1 821 . 1 1 85 85 ARG CD C 13 43.478 0.30 . 1 . . . . . . . . 5680 1 822 . 1 1 85 85 ARG HD2 H 1 3.225 0.02 . 2 . . . . . . . . 5680 1 823 . 1 1 86 86 ALA H H 1 8.289 0.02 . 1 . . . . . . . . 5680 1 824 . 1 1 86 86 ALA N N 15 124.854 0.20 . 1 . . . . . . . . 5680 1 825 . 1 1 86 86 ALA CA C 13 52.854 0.30 . 1 . . . . . . . . 5680 1 826 . 1 1 86 86 ALA HA H 1 4.310 0.02 . 1 . . . . . . . . 5680 1 827 . 1 1 86 86 ALA CB C 13 19.101 0.30 . 1 . . . . . . . . 5680 1 828 . 1 1 86 86 ALA HB1 H 1 1.419 0.02 . 1 . . . . . . . . 5680 1 829 . 1 1 86 86 ALA HB2 H 1 1.419 0.02 . 1 . . . . . . . . 5680 1 830 . 1 1 86 86 ALA HB3 H 1 1.419 0.02 . 1 . . . . . . . . 5680 1 831 . 1 1 87 87 ASP H H 1 8.212 0.02 . 1 . . . . . . . . 5680 1 832 . 1 1 87 87 ASP N N 15 118.739 0.20 . 1 . . . . . . . . 5680 1 833 . 1 1 87 87 ASP CA C 13 54.857 0.30 . 1 . . . . . . . . 5680 1 834 . 1 1 87 87 ASP HA H 1 4.569 0.02 . 1 . . . . . . . . 5680 1 835 . 1 1 87 87 ASP CB C 13 40.968 0.30 . 1 . . . . . . . . 5680 1 836 . 1 1 87 87 ASP HB2 H 1 2.718 0.02 . 1 . . . . . . . . 5680 1 837 . 1 1 87 87 ASP HB3 H 1 2.682 0.02 . 1 . . . . . . . . 5680 1 838 . 1 1 88 88 GLU H H 1 8.158 0.02 . 1 . . . . . . . . 5680 1 839 . 1 1 88 88 GLU N N 15 120.486 0.20 . 1 . . . . . . . . 5680 1 840 . 1 1 88 88 GLU CA C 13 57.542 0.30 . 1 . . . . . . . . 5680 1 841 . 1 1 88 88 GLU HA H 1 4.239 0.02 . 1 . . . . . . . . 5680 1 842 . 1 1 88 88 GLU CB C 13 30.352 0.30 . 1 . . . . . . . . 5680 1 843 . 1 1 88 88 GLU HB2 H 1 2.085 0.02 . 1 . . . . . . . . 5680 1 844 . 1 1 88 88 GLU HB3 H 1 2.040 0.02 . 1 . . . . . . . . 5680 1 845 . 1 1 88 88 GLU CG C 13 36.602 0.30 . 1 . . . . . . . . 5680 1 846 . 1 1 88 88 GLU HG2 H 1 2.285 0.02 . 2 . . . . . . . . 5680 1 847 . 1 1 89 89 GLU H H 1 8.289 0.02 . 1 . . . . . . . . 5680 1 848 . 1 1 89 89 GLU N N 15 120.923 0.20 . 1 . . . . . . . . 5680 1 849 . 1 1 89 89 GLU CA C 13 57.542 0.30 . 1 . . . . . . . . 5680 1 850 . 1 1 89 89 GLU HA H 1 4.224 0.02 . 1 . . . . . . . . 5680 1 851 . 1 1 89 89 GLU CB C 13 30.039 0.30 . 1 . . . . . . . . 5680 1 852 . 1 1 89 89 GLU HB2 H 1 2.066 0.02 . 1 . . . . . . . . 5680 1 853 . 1 1 89 89 GLU HB3 H 1 2.015 0.02 . 1 . . . . . . . . 5680 1 854 . 1 1 89 89 GLU CG C 13 36.602 0.30 . 1 . . . . . . . . 5680 1 855 . 1 1 89 89 GLU HG2 H 1 2.326 0.02 . 1 . . . . . . . . 5680 1 856 . 1 1 89 89 GLU HG3 H 1 2.257 0.02 . 1 . . . . . . . . 5680 1 857 . 1 1 90 90 GLN H H 1 8.213 0.02 . 1 . . . . . . . . 5680 1 858 . 1 1 90 90 GLN N N 15 120.486 0.20 . 1 . . . . . . . . 5680 1 859 . 1 1 90 90 GLN CA C 13 56.917 0.30 . 1 . . . . . . . . 5680 1 860 . 1 1 90 90 GLN HA H 1 4.278 0.02 . 1 . . . . . . . . 5680 1 861 . 1 1 90 90 GLN CB C 13 28.789 0.30 . 1 . . . . . . . . 5680 1 862 . 1 1 90 90 GLN HB2 H 1 2.148 0.02 . 1 . . . . . . . . 5680 1 863 . 1 1 90 90 GLN HB3 H 1 2.050 0.02 . 1 . . . . . . . . 5680 1 864 . 1 1 90 90 GLN CG C 13 33.477 0.30 . 1 . . . . . . . . 5680 1 865 . 1 1 90 90 GLN HG2 H 1 2.404 0.02 . 2 . . . . . . . . 5680 1 866 . 1 1 91 91 GLN H H 1 8.265 0.02 . 1 . . . . . . . . 5680 1 867 . 1 1 91 91 GLN N N 15 120.704 0.20 . 1 . . . . . . . . 5680 1 868 . 1 1 91 91 GLN CA C 13 56.604 0.30 . 1 . . . . . . . . 5680 1 869 . 1 1 91 91 GLN HA H 1 4.265 0.02 . 1 . . . . . . . . 5680 1 870 . 1 1 91 91 GLN CB C 13 29.727 0.30 . 1 . . . . . . . . 5680 1 871 . 1 1 91 91 GLN HB2 H 1 2.134 0.02 . 1 . . . . . . . . 5680 1 872 . 1 1 91 91 GLN HB3 H 1 2.037 0.02 . 1 . . . . . . . . 5680 1 873 . 1 1 91 91 GLN CG C 13 33.477 0.30 . 1 . . . . . . . . 5680 1 874 . 1 1 91 91 GLN HG2 H 1 2.403 0.02 . 2 . . . . . . . . 5680 1 875 . 1 1 92 92 GLN H H 1 8.272 0.02 . 1 . . . . . . . . 5680 1 876 . 1 1 92 92 GLN N N 15 120.704 0.20 . 1 . . . . . . . . 5680 1 877 . 1 1 92 92 GLN CA C 13 56.604 0.30 . 1 . . . . . . . . 5680 1 878 . 1 1 92 92 GLN HA H 1 4.292 0.02 . 1 . . . . . . . . 5680 1 879 . 1 1 92 92 GLN CB C 13 28.789 0.30 . 1 . . . . . . . . 5680 1 880 . 1 1 92 92 GLN HB2 H 1 2.103 0.02 . 1 . . . . . . . . 5680 1 881 . 1 1 92 92 GLN HB3 H 1 2.055 0.02 . 1 . . . . . . . . 5680 1 882 . 1 1 92 92 GLN CG C 13 36.915 0.30 . 1 . . . . . . . . 5680 1 883 . 1 1 92 92 GLN HG2 H 1 2.261 0.02 . 2 . . . . . . . . 5680 1 884 . 1 1 93 93 ALA H H 1 8.166 0.02 . 1 . . . . . . . . 5680 1 885 . 1 1 93 93 ALA N N 15 124.417 0.20 . 1 . . . . . . . . 5680 1 886 . 1 1 93 93 ALA CA C 13 52.854 0.30 . 1 . . . . . . . . 5680 1 887 . 1 1 93 93 ALA HA H 1 4.324 0.02 . 1 . . . . . . . . 5680 1 888 . 1 1 93 93 ALA CB C 13 18.788 0.30 . 1 . . . . . . . . 5680 1 889 . 1 1 93 93 ALA HB1 H 1 1.427 0.02 . 1 . . . . . . . . 5680 1 890 . 1 1 93 93 ALA HB2 H 1 1.427 0.02 . 1 . . . . . . . . 5680 1 891 . 1 1 93 93 ALA HB3 H 1 1.427 0.02 . 1 . . . . . . . . 5680 1 892 . 1 1 94 94 LEU H H 1 8.074 0.02 . 1 . . . . . . . . 5680 1 893 . 1 1 94 94 LEU N N 15 120.704 0.20 . 1 . . . . . . . . 5680 1 894 . 1 1 94 94 LEU CA C 13 55.666 0.30 . 1 . . . . . . . . 5680 1 895 . 1 1 94 94 LEU HA H 1 4.358 0.02 . 1 . . . . . . . . 5680 1 896 . 1 1 94 94 LEU CB C 13 42.228 0.30 . 1 . . . . . . . . 5680 1 897 . 1 1 94 94 LEU HB2 H 1 1.686 0.02 . 1 . . . . . . . . 5680 1 898 . 1 1 94 94 LEU HB3 H 1 1.658 0.02 . 1 . . . . . . . . 5680 1 899 . 1 1 94 94 LEU CG C 13 27.227 0.30 . 1 . . . . . . . . 5680 1 900 . 1 1 94 94 LEU CD1 C 13 25.039 0.30 . 1 . . . . . . . . 5680 1 901 . 1 1 94 94 LEU HD11 H 1 0.933 0.02 . 1 . . . . . . . . 5680 1 902 . 1 1 94 94 LEU HD12 H 1 0.933 0.02 . 1 . . . . . . . . 5680 1 903 . 1 1 94 94 LEU HD13 H 1 0.933 0.02 . 1 . . . . . . . . 5680 1 904 . 1 1 94 94 LEU CD2 C 13 23.476 0.30 . 1 . . . . . . . . 5680 1 905 . 1 1 94 94 LEU HD21 H 1 0.885 0.02 . 1 . . . . . . . . 5680 1 906 . 1 1 94 94 LEU HD22 H 1 0.885 0.02 . 1 . . . . . . . . 5680 1 907 . 1 1 94 94 LEU HD23 H 1 0.885 0.02 . 1 . . . . . . . . 5680 1 908 . 1 1 94 94 LEU HG H 1 1.645 0.02 . 1 . . . . . . . . 5680 1 909 . 1 1 95 95 SER H H 1 8.146 0.02 . 1 . . . . . . . . 5680 1 910 . 1 1 95 95 SER N N 15 115.682 0.20 . 1 . . . . . . . . 5680 1 911 . 1 1 95 95 SER CA C 13 58.829 0.30 . 1 . . . . . . . . 5680 1 912 . 1 1 95 95 SER HA H 1 4.448 0.02 . 1 . . . . . . . . 5680 1 913 . 1 1 95 95 SER CB C 13 63.671 0.30 . 1 . . . . . . . . 5680 1 914 . 1 1 95 95 SER HB2 H 1 3.946 0.02 . 1 . . . . . . . . 5680 1 915 . 1 1 95 95 SER HB3 H 1 3.906 0.02 . 1 . . . . . . . . 5680 1 916 . 1 1 96 96 SER H H 1 8.153 0.02 . 1 . . . . . . . . 5680 1 917 . 1 1 96 96 SER N N 15 116.992 0.20 . 1 . . . . . . . . 5680 1 918 . 1 1 96 96 SER CA C 13 58.661 0.30 . 1 . . . . . . . . 5680 1 919 . 1 1 96 96 SER HA H 1 4.473 0.02 . 1 . . . . . . . . 5680 1 920 . 1 1 96 96 SER CB C 13 63.685 0.30 . 1 . . . . . . . . 5680 1 921 . 1 1 96 96 SER HB2 H 1 3.946 0.02 . 1 . . . . . . . . 5680 1 922 . 1 1 96 96 SER HB3 H 1 3.915 0.02 . 1 . . . . . . . . 5680 1 923 . 1 1 97 97 GLN H H 1 8.196 0.02 . 1 . . . . . . . . 5680 1 924 . 1 1 97 97 GLN N N 15 121.360 0.20 . 1 . . . . . . . . 5680 1 925 . 1 1 97 97 GLN CA C 13 55.979 0.30 . 1 . . . . . . . . 5680 1 926 . 1 1 97 97 GLN HA H 1 4.364 0.02 . 1 . . . . . . . . 5680 1 927 . 1 1 97 97 GLN CB C 13 29.206 0.30 . 1 . . . . . . . . 5680 1 928 . 1 1 97 97 GLN HB2 H 1 2.161 0.02 . 1 . . . . . . . . 5680 1 929 . 1 1 97 97 GLN HB3 H 1 2.008 0.02 . 1 . . . . . . . . 5680 1 930 . 1 1 97 97 GLN CG C 13 33.790 0.30 . 1 . . . . . . . . 5680 1 931 . 1 1 97 97 GLN HG2 H 1 2.371 0.02 . 1 . . . . . . . . 5680 1 932 . 1 1 97 97 GLN HG3 H 1 2.281 0.02 . 1 . . . . . . . . 5680 1 933 . 1 1 98 98 MET H H 1 8.152 0.02 . 1 . . . . . . . . 5680 1 934 . 1 1 98 98 MET N N 15 120.268 0.20 . 1 . . . . . . . . 5680 1 935 . 1 1 98 98 MET CA C 13 55.666 0.30 . 1 . . . . . . . . 5680 1 936 . 1 1 98 98 MET HA H 1 4.471 0.02 . 1 . . . . . . . . 5680 1 937 . 1 1 98 98 MET CB C 13 33.165 0.30 . 1 . . . . . . . . 5680 1 938 . 1 1 98 98 MET HB2 H 1 2.051 0.02 . 1 . . . . . . . . 5680 1 939 . 1 1 98 98 MET HB3 H 1 2.009 0.02 . 1 . . . . . . . . 5680 1 940 . 1 1 98 98 MET CG C 13 32.227 0.30 . 1 . . . . . . . . 5680 1 941 . 1 1 98 98 MET HG2 H 1 2.606 0.02 . 1 . . . . . . . . 5680 1 942 . 1 1 98 98 MET HG3 H 1 2.534 0.02 . 1 . . . . . . . . 5680 1 943 . 1 1 99 99 GLY H H 1 8.166 0.02 . 1 . . . . . . . . 5680 1 944 . 1 1 99 99 GLY N N 15 109.567 0.20 . 1 . . . . . . . . 5680 1 945 . 1 1 99 99 GLY CA C 13 45.297 0.30 . 1 . . . . . . . . 5680 1 946 . 1 1 99 99 GLY HA2 H 1 3.903 0.02 . 1 . . . . . . . . 5680 1 947 . 1 1 99 99 GLY HA3 H 1 3.848 0.02 . 1 . . . . . . . . 5680 1 948 . 1 1 100 100 PHE H H 1 7.535 0.02 . 1 . . . . . . . . 5680 1 949 . 1 1 100 100 PHE N N 15 124.417 0.20 . 1 . . . . . . . . 5680 1 950 . 1 1 100 100 PHE CA C 13 58.792 0.30 . 1 . . . . . . . . 5680 1 951 . 1 1 100 100 PHE HA H 1 4.470 0.02 . 1 . . . . . . . . 5680 1 952 . 1 1 100 100 PHE CB C 13 40.353 0.30 . 1 . . . . . . . . 5680 1 953 . 1 1 100 100 PHE HB2 H 1 3.189 0.02 . 1 . . . . . . . . 5680 1 954 . 1 1 100 100 PHE HB3 H 1 2.966 0.02 . 1 . . . . . . . . 5680 1 955 . 1 1 100 100 PHE HD1 H 1 7.320 0.02 . 2 . . . . . . . . 5680 1 956 . 1 1 100 100 PHE HE1 H 1 7.224 0.02 . 2 . . . . . . . . 5680 1 stop_ save_ save_cs_ESAT_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode cs_ESAT_1 _Assigned_chem_shift_list.Entry_ID 5680 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5680 2 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 . 2 2 1 1 MET CA C 13 55.638 0.30 . 1 . . . . . . . . 5680 2 2 . 2 2 1 1 MET HA H 1 4.020 0.02 . 1 . . . . . . . . 5680 2 3 . 2 2 1 1 MET CB C 13 34.387 0.30 . 1 . . . . . . . . 5680 2 4 . 2 2 1 1 MET HB2 H 1 2.100 0.02 . 1 . . . . . . . . 5680 2 5 . 2 2 1 1 MET HB3 H 1 2.078 0.02 . 1 . . . . . . . . 5680 2 6 . 2 2 1 1 MET CG C 13 31.261 0.30 . 1 . . . . . . . . 5680 2 7 . 2 2 1 1 MET HG2 H 1 2.589 0.02 . 2 . . . . . . . . 5680 2 8 . 2 2 2 2 THR CA C 13 61.889 0.30 . 1 . . . . . . . . 5680 2 9 . 2 2 2 2 THR HA H 1 4.387 0.02 . 1 . . . . . . . . 5680 2 10 . 2 2 2 2 THR CB C 13 70.327 0.30 . 1 . . . . . . . . 5680 2 11 . 2 2 2 2 THR HB H 1 4.338 0.02 . 1 . . . . . . . . 5680 2 12 . 2 2 2 2 THR CG2 C 13 22.198 0.30 . 1 . . . . . . . . 5680 2 13 . 2 2 2 2 THR HG21 H 1 1.237 0.02 . 1 . . . . . . . . 5680 2 14 . 2 2 2 2 THR HG22 H 1 1.237 0.02 . 1 . . . . . . . . 5680 2 15 . 2 2 2 2 THR HG23 H 1 1.237 0.02 . 1 . . . . . . . . 5680 2 16 . 2 2 3 3 GLU H H 1 8.592 0.02 . 1 . . . . . . . . 5680 2 17 . 2 2 3 3 GLU N N 15 123.697 0.20 . 1 . . . . . . . . 5680 2 18 . 2 2 3 3 GLU CA C 13 57.189 0.30 . 1 . . . . . . . . 5680 2 19 . 2 2 3 3 GLU HA H 1 4.263 0.02 . 1 . . . . . . . . 5680 2 20 . 2 2 3 3 GLU CB C 13 29.999 0.30 . 1 . . . . . . . . 5680 2 21 . 2 2 3 3 GLU HB2 H 1 2.241 0.02 . 1 . . . . . . . . 5680 2 22 . 2 2 3 3 GLU HB3 H 1 1.987 0.02 . 1 . . . . . . . . 5680 2 23 . 2 2 3 3 GLU CG C 13 36.874 0.30 . 1 . . . . . . . . 5680 2 24 . 2 2 3 3 GLU HG2 H 1 2.276 0.02 . 2 . . . . . . . . 5680 2 25 . 2 2 4 4 GLN H H 1 8.301 0.02 . 1 . . . . . . . . 5680 2 26 . 2 2 4 4 GLN N N 15 121.155 0.20 . 1 . . . . . . . . 5680 2 27 . 2 2 4 4 GLN CA C 13 56.251 0.30 . 1 . . . . . . . . 5680 2 28 . 2 2 4 4 GLN HA H 1 4.241 0.02 . 1 . . . . . . . . 5680 2 29 . 2 2 4 4 GLN CB C 13 28.749 0.30 . 1 . . . . . . . . 5680 2 30 . 2 2 4 4 GLN HB2 H 1 1.927 0.02 . 1 . . . . . . . . 5680 2 31 . 2 2 4 4 GLN HB3 H 1 1.879 0.02 . 1 . . . . . . . . 5680 2 32 . 2 2 4 4 GLN CG C 13 33.437 0.30 . 1 . . . . . . . . 5680 2 33 . 2 2 4 4 GLN HG2 H 1 2.255 0.02 . 2 . . . . . . . . 5680 2 34 . 2 2 5 5 GLN H H 1 8.194 0.02 . 1 . . . . . . . . 5680 2 35 . 2 2 5 5 GLN N N 15 121.385 0.20 . 1 . . . . . . . . 5680 2 36 . 2 2 5 5 GLN CA C 13 56.251 0.30 . 1 . . . . . . . . 5680 2 37 . 2 2 5 5 GLN HA H 1 4.268 0.02 . 1 . . . . . . . . 5680 2 38 . 2 2 5 5 GLN CB C 13 29.061 0.30 . 1 . . . . . . . . 5680 2 39 . 2 2 5 5 GLN HB2 H 1 1.949 0.02 . 1 . . . . . . . . 5680 2 40 . 2 2 5 5 GLN HB3 H 1 1.884 0.02 . 1 . . . . . . . . 5680 2 41 . 2 2 5 5 GLN CG C 13 34.062 0.30 . 1 . . . . . . . . 5680 2 42 . 2 2 5 5 GLN HG2 H 1 2.241 0.02 . 2 . . . . . . . . 5680 2 43 . 2 2 6 6 TRP H H 1 8.138 0.02 . 1 . . . . . . . . 5680 2 44 . 2 2 6 6 TRP N N 15 121.829 0.20 . 1 . . . . . . . . 5680 2 45 . 2 2 6 6 TRP CA C 13 56.889 0.30 . 1 . . . . . . . . 5680 2 46 . 2 2 6 6 TRP HA H 1 4.656 0.02 . 1 . . . . . . . . 5680 2 47 . 2 2 6 6 TRP CB C 13 29.699 0.30 . 1 . . . . . . . . 5680 2 48 . 2 2 6 6 TRP HB2 H 1 3.243 0.02 . 1 . . . . . . . . 5680 2 49 . 2 2 6 6 TRP HB3 H 1 2.958 0.02 . 1 . . . . . . . . 5680 2 50 . 2 2 6 6 TRP HD1 H 1 7.142 0.02 . 1 . . . . . . . . 5680 2 51 . 2 2 6 6 TRP NE1 N 15 129.536 0.20 . 1 . . . . . . . . 5680 2 52 . 2 2 6 6 TRP HE1 H 1 10.027 0.02 . 1 . . . . . . . . 5680 2 53 . 2 2 6 6 TRP HE3 H 1 7.536 0.02 . 1 . . . . . . . . 5680 2 54 . 2 2 6 6 TRP HZ2 H 1 7.416 0.02 . 1 . . . . . . . . 5680 2 55 . 2 2 6 6 TRP HZ3 H 1 7.052 0.02 . 1 . . . . . . . . 5680 2 56 . 2 2 6 6 TRP HH2 H 1 7.136 0.02 . 1 . . . . . . . . 5680 2 57 . 2 2 7 7 ASN H H 1 8.167 0.02 . 1 . . . . . . . . 5680 2 58 . 2 2 7 7 ASN N N 15 120.285 0.20 . 1 . . . . . . . . 5680 2 59 . 2 2 7 7 ASN CA C 13 52.513 0.30 . 1 . . . . . . . . 5680 2 60 . 2 2 7 7 ASN HA H 1 4.639 0.02 . 1 . . . . . . . . 5680 2 61 . 2 2 7 7 ASN CB C 13 38.762 0.30 . 1 . . . . . . . . 5680 2 62 . 2 2 7 7 ASN HB2 H 1 2.715 0.02 . 1 . . . . . . . . 5680 2 63 . 2 2 7 7 ASN HB3 H 1 2.649 0.02 . 1 . . . . . . . . 5680 2 64 . 2 2 8 8 PHE H H 1 8.091 0.02 . 1 . . . . . . . . 5680 2 65 . 2 2 8 8 PHE N N 15 121.213 0.20 . 1 . . . . . . . . 5680 2 66 . 2 2 8 8 PHE CA C 13 59.100 0.30 . 1 . . . . . . . . 5680 2 67 . 2 2 8 8 PHE HA H 1 4.110 0.02 . 1 . . . . . . . . 5680 2 68 . 2 2 8 8 PHE CB C 13 38.900 0.30 . 1 . . . . . . . . 5680 2 69 . 2 2 8 8 PHE HB2 H 1 3.176 0.02 . 2 . . . . . . . . 5680 2 70 . 2 2 8 8 PHE HD1 H 1 7.192 0.02 . 2 . . . . . . . . 5680 2 71 . 2 2 8 8 PHE HE1 H 1 7.133 0.02 . 2 . . . . . . . . 5680 2 72 . 2 2 9 9 ALA H H 1 8.229 0.02 . 1 . . . . . . . . 5680 2 73 . 2 2 9 9 ALA N N 15 124.310 0.20 . 1 . . . . . . . . 5680 2 74 . 2 2 9 9 ALA CA C 13 54.076 0.30 . 1 . . . . . . . . 5680 2 75 . 2 2 9 9 ALA HA H 1 4.231 0.02 . 1 . . . . . . . . 5680 2 76 . 2 2 9 9 ALA CB C 13 18.135 0.30 . 1 . . . . . . . . 5680 2 77 . 2 2 9 9 ALA HB1 H 1 1.374 0.02 . 1 . . . . . . . . 5680 2 78 . 2 2 9 9 ALA HB2 H 1 1.374 0.02 . 1 . . . . . . . . 5680 2 79 . 2 2 9 9 ALA HB3 H 1 1.374 0.02 . 1 . . . . . . . . 5680 2 80 . 2 2 10 10 GLY H H 1 7.758 0.02 . 1 . . . . . . . . 5680 2 81 . 2 2 10 10 GLY N N 15 106.878 0.20 . 1 . . . . . . . . 5680 2 82 . 2 2 10 10 GLY CA C 13 45.900 0.30 . 1 . . . . . . . . 5680 2 83 . 2 2 10 10 GLY HA2 H 1 3.964 0.02 . 1 . . . . . . . . 5680 2 84 . 2 2 10 10 GLY HA3 H 1 3.882 0.02 . 1 . . . . . . . . 5680 2 85 . 2 2 11 11 ILE H H 1 7.941 0.02 . 1 . . . . . . . . 5680 2 86 . 2 2 11 11 ILE N N 15 122.598 0.20 . 1 . . . . . . . . 5680 2 87 . 2 2 11 11 ILE CA C 13 64.389 0.30 . 1 . . . . . . . . 5680 2 88 . 2 2 11 11 ILE HA H 1 3.751 0.02 . 1 . . . . . . . . 5680 2 89 . 2 2 11 11 ILE CB C 13 37.824 0.30 . 1 . . . . . . . . 5680 2 90 . 2 2 11 11 ILE HB H 1 1.900 0.02 . 1 . . . . . . . . 5680 2 91 . 2 2 11 11 ILE CG2 C 13 18.135 0.30 . 1 . . . . . . . . 5680 2 92 . 2 2 11 11 ILE HG21 H 1 0.968 0.02 . 1 . . . . . . . . 5680 2 93 . 2 2 11 11 ILE HG22 H 1 0.968 0.02 . 1 . . . . . . . . 5680 2 94 . 2 2 11 11 ILE HG23 H 1 0.968 0.02 . 1 . . . . . . . . 5680 2 95 . 2 2 11 11 ILE CG1 C 13 29.074 0.30 . 1 . . . . . . . . 5680 2 96 . 2 2 11 11 ILE HG12 H 1 1.583 0.02 . 1 . . . . . . . . 5680 2 97 . 2 2 11 11 ILE HG13 H 1 0.987 0.02 . 1 . . . . . . . . 5680 2 98 . 2 2 11 11 ILE CD1 C 13 13.447 0.30 . 1 . . . . . . . . 5680 2 99 . 2 2 11 11 ILE HD11 H 1 0.759 0.02 . 1 . . . . . . . . 5680 2 100 . 2 2 11 11 ILE HD12 H 1 0.759 0.02 . 1 . . . . . . . . 5680 2 101 . 2 2 11 11 ILE HD13 H 1 0.759 0.02 . 1 . . . . . . . . 5680 2 102 . 2 2 12 12 GLU H H 1 8.303 0.02 . 1 . . . . . . . . 5680 2 103 . 2 2 12 12 GLU N N 15 120.842 0.20 . 1 . . . . . . . . 5680 2 104 . 2 2 12 12 GLU CA C 13 59.389 0.30 . 1 . . . . . . . . 5680 2 105 . 2 2 12 12 GLU HA H 1 4.242 0.02 . 1 . . . . . . . . 5680 2 106 . 2 2 12 12 GLU CB C 13 29.699 0.30 . 1 . . . . . . . . 5680 2 107 . 2 2 12 12 GLU HB2 H 1 2.046 0.02 . 1 . . . . . . . . 5680 2 108 . 2 2 12 12 GLU HB3 H 1 1.951 0.02 . 1 . . . . . . . . 5680 2 109 . 2 2 12 12 GLU CG C 13 35.949 0.30 . 1 . . . . . . . . 5680 2 110 . 2 2 12 12 GLU HG2 H 1 2.254 0.02 . 2 . . . . . . . . 5680 2 111 . 2 2 13 13 ALA H H 1 7.961 0.02 . 1 . . . . . . . . 5680 2 112 . 2 2 13 13 ALA N N 15 121.674 0.20 . 1 . . . . . . . . 5680 2 113 . 2 2 13 13 ALA CA C 13 54.701 0.30 . 1 . . . . . . . . 5680 2 114 . 2 2 13 13 ALA HA H 1 4.152 0.02 . 1 . . . . . . . . 5680 2 115 . 2 2 13 13 ALA CB C 13 17.823 0.30 . 1 . . . . . . . . 5680 2 116 . 2 2 13 13 ALA HB1 H 1 1.458 0.02 . 1 . . . . . . . . 5680 2 117 . 2 2 13 13 ALA HB2 H 1 1.458 0.02 . 1 . . . . . . . . 5680 2 118 . 2 2 13 13 ALA HB3 H 1 1.458 0.02 . 1 . . . . . . . . 5680 2 119 . 2 2 14 14 ALA H H 1 7.791 0.02 . 1 . . . . . . . . 5680 2 120 . 2 2 14 14 ALA N N 15 122.600 0.20 . 1 . . . . . . . . 5680 2 121 . 2 2 14 14 ALA CA C 13 54.701 0.30 . 1 . . . . . . . . 5680 2 122 . 2 2 14 14 ALA HA H 1 4.056 0.02 . 1 . . . . . . . . 5680 2 123 . 2 2 14 14 ALA CB C 13 18.760 0.30 . 1 . . . . . . . . 5680 2 124 . 2 2 14 14 ALA HB1 H 1 1.399 0.02 . 1 . . . . . . . . 5680 2 125 . 2 2 14 14 ALA HB2 H 1 1.399 0.02 . 1 . . . . . . . . 5680 2 126 . 2 2 14 14 ALA HB3 H 1 1.399 0.02 . 1 . . . . . . . . 5680 2 127 . 2 2 15 15 ALA H H 1 8.506 0.02 . 1 . . . . . . . . 5680 2 128 . 2 2 15 15 ALA N N 15 120.380 0.20 . 1 . . . . . . . . 5680 2 129 . 2 2 15 15 ALA CA C 13 55.638 0.30 . 1 . . . . . . . . 5680 2 130 . 2 2 15 15 ALA HA H 1 3.924 0.02 . 1 . . . . . . . . 5680 2 131 . 2 2 15 15 ALA CB C 13 17.823 0.30 . 1 . . . . . . . . 5680 2 132 . 2 2 15 15 ALA HB1 H 1 1.496 0.02 . 1 . . . . . . . . 5680 2 133 . 2 2 15 15 ALA HB2 H 1 1.496 0.02 . 1 . . . . . . . . 5680 2 134 . 2 2 15 15 ALA HB3 H 1 1.496 0.02 . 1 . . . . . . . . 5680 2 135 . 2 2 16 16 SER H H 1 7.967 0.02 . 1 . . . . . . . . 5680 2 136 . 2 2 16 16 SER N N 15 113.258 0.20 . 1 . . . . . . . . 5680 2 137 . 2 2 16 16 SER CA C 13 61.264 0.30 . 1 . . . . . . . . 5680 2 138 . 2 2 16 16 SER HA H 1 4.245 0.02 . 1 . . . . . . . . 5680 2 139 . 2 2 16 16 SER CB C 13 62.827 0.30 . 1 . . . . . . . . 5680 2 140 . 2 2 16 16 SER HB2 H 1 3.990 0.02 . 1 . . . . . . . . 5680 2 141 . 2 2 16 16 SER HB3 H 1 3.966 0.02 . 1 . . . . . . . . 5680 2 142 . 2 2 17 17 ALA H H 1 7.951 0.02 . 1 . . . . . . . . 5680 2 143 . 2 2 17 17 ALA N N 15 126.144 0.20 . 1 . . . . . . . . 5680 2 144 . 2 2 17 17 ALA CA C 13 55.013 0.30 . 1 . . . . . . . . 5680 2 145 . 2 2 17 17 ALA HA H 1 4.167 0.02 . 1 . . . . . . . . 5680 2 146 . 2 2 17 17 ALA CB C 13 17.823 0.30 . 1 . . . . . . . . 5680 2 147 . 2 2 17 17 ALA HB1 H 1 1.568 0.02 . 1 . . . . . . . . 5680 2 148 . 2 2 17 17 ALA HB2 H 1 1.568 0.02 . 1 . . . . . . . . 5680 2 149 . 2 2 17 17 ALA HB3 H 1 1.568 0.02 . 1 . . . . . . . . 5680 2 150 . 2 2 18 18 ILE H H 1 8.322 0.02 . 1 . . . . . . . . 5680 2 151 . 2 2 18 18 ILE N N 15 117.976 0.20 . 1 . . . . . . . . 5680 2 152 . 2 2 18 18 ILE CA C 13 64.077 0.30 . 1 . . . . . . . . 5680 2 153 . 2 2 18 18 ILE HA H 1 4.313 0.02 . 1 . . . . . . . . 5680 2 154 . 2 2 18 18 ILE CB C 13 37.824 0.30 . 1 . . . . . . . . 5680 2 155 . 2 2 18 18 ILE HB H 1 1.993 0.02 . 1 . . . . . . . . 5680 2 156 . 2 2 18 18 ILE CG2 C 13 17.198 0.30 . 1 . . . . . . . . 5680 2 157 . 2 2 18 18 ILE HG21 H 1 0.807 0.02 . 1 . . . . . . . . 5680 2 158 . 2 2 18 18 ILE HG22 H 1 0.807 0.02 . 1 . . . . . . . . 5680 2 159 . 2 2 18 18 ILE HG23 H 1 0.807 0.02 . 1 . . . . . . . . 5680 2 160 . 2 2 18 18 ILE CG1 C 13 29.386 0.30 . 1 . . . . . . . . 5680 2 161 . 2 2 18 18 ILE HG12 H 1 1.823 0.02 . 1 . . . . . . . . 5680 2 162 . 2 2 18 18 ILE HG13 H 1 1.178 0.02 . 1 . . . . . . . . 5680 2 163 . 2 2 18 18 ILE CD1 C 13 13.135 0.30 . 1 . . . . . . . . 5680 2 164 . 2 2 18 18 ILE HD11 H 1 0.710 0.02 . 1 . . . . . . . . 5680 2 165 . 2 2 18 18 ILE HD12 H 1 0.710 0.02 . 1 . . . . . . . . 5680 2 166 . 2 2 18 18 ILE HD13 H 1 0.710 0.02 . 1 . . . . . . . . 5680 2 167 . 2 2 19 19 GLN H H 1 8.072 0.02 . 1 . . . . . . . . 5680 2 168 . 2 2 19 19 GLN N N 15 120.334 0.20 . 1 . . . . . . . . 5680 2 169 . 2 2 19 19 GLN CA C 13 59.376 0.30 . 1 . . . . . . . . 5680 2 170 . 2 2 19 19 GLN HA H 1 3.984 0.02 . 1 . . . . . . . . 5680 2 171 . 2 2 19 19 GLN CB C 13 27.811 0.30 . 1 . . . . . . . . 5680 2 172 . 2 2 19 19 GLN HB2 H 1 2.277 0.02 . 1 . . . . . . . . 5680 2 173 . 2 2 19 19 GLN HB3 H 1 2.180 0.02 . 1 . . . . . . . . 5680 2 174 . 2 2 19 19 GLN CG C 13 33.437 0.30 . 1 . . . . . . . . 5680 2 175 . 2 2 19 19 GLN HG2 H 1 2.491 0.02 . 2 . . . . . . . . 5680 2 176 . 2 2 20 20 GLY H H 1 7.873 0.02 . 1 . . . . . . . . 5680 2 177 . 2 2 20 20 GLY N N 15 106.482 0.20 . 1 . . . . . . . . 5680 2 178 . 2 2 20 20 GLY CA C 13 47.000 0.30 . 1 . . . . . . . . 5680 2 179 . 2 2 20 20 GLY HA2 H 1 4.021 0.02 . 1 . . . . . . . . 5680 2 180 . 2 2 20 20 GLY HA3 H 1 3.959 0.02 . 1 . . . . . . . . 5680 2 181 . 2 2 21 21 ASN H H 1 7.789 0.02 . 1 . . . . . . . . 5680 2 182 . 2 2 21 21 ASN N N 15 120.611 0.20 . 1 . . . . . . . . 5680 2 183 . 2 2 21 21 ASN CA C 13 57.201 0.30 . 1 . . . . . . . . 5680 2 184 . 2 2 21 21 ASN HA H 1 4.854 0.02 . 1 . . . . . . . . 5680 2 185 . 2 2 21 21 ASN CB C 13 40.637 0.30 . 1 . . . . . . . . 5680 2 186 . 2 2 21 21 ASN HB2 H 1 2.792 0.02 . 1 . . . . . . . . 5680 2 187 . 2 2 21 21 ASN HB3 H 1 2.617 0.02 . 1 . . . . . . . . 5680 2 188 . 2 2 22 22 VAL H H 1 8.560 0.02 . 1 . . . . . . . . 5680 2 189 . 2 2 22 22 VAL N N 15 120.519 0.20 . 1 . . . . . . . . 5680 2 190 . 2 2 22 22 VAL CA C 13 67.514 0.30 . 1 . . . . . . . . 5680 2 191 . 2 2 22 22 VAL HA H 1 3.517 0.02 . 1 . . . . . . . . 5680 2 192 . 2 2 22 22 VAL CB C 13 31.574 0.30 . 1 . . . . . . . . 5680 2 193 . 2 2 22 22 VAL HB H 1 2.454 0.02 . 1 . . . . . . . . 5680 2 194 . 2 2 22 22 VAL CG1 C 13 23.448 0.30 . 1 . . . . . . . . 5680 2 195 . 2 2 22 22 VAL HG11 H 1 1.039 0.02 . 1 . . . . . . . . 5680 2 196 . 2 2 22 22 VAL HG12 H 1 1.039 0.02 . 1 . . . . . . . . 5680 2 197 . 2 2 22 22 VAL HG13 H 1 1.039 0.02 . 1 . . . . . . . . 5680 2 198 . 2 2 22 22 VAL CG2 C 13 21.261 0.30 . 1 . . . . . . . . 5680 2 199 . 2 2 22 22 VAL HG21 H 1 0.925 0.02 . 1 . . . . . . . . 5680 2 200 . 2 2 22 22 VAL HG22 H 1 0.925 0.02 . 1 . . . . . . . . 5680 2 201 . 2 2 22 22 VAL HG23 H 1 0.925 0.02 . 1 . . . . . . . . 5680 2 202 . 2 2 23 23 THR H H 1 7.745 0.02 . 1 . . . . . . . . 5680 2 203 . 2 2 23 23 THR N N 15 114.585 0.20 . 1 . . . . . . . . 5680 2 204 . 2 2 23 23 THR CA C 13 68.765 0.30 . 1 . . . . . . . . 5680 2 205 . 2 2 23 23 THR HA H 1 4.162 0.02 . 1 . . . . . . . . 5680 2 206 . 2 2 23 23 THR CB C 13 65.952 0.30 . 1 . . . . . . . . 5680 2 207 . 2 2 23 23 THR HB H 1 4.034 0.02 . 1 . . . . . . . . 5680 2 208 . 2 2 23 23 THR CG2 C 13 21.886 0.30 . 1 . . . . . . . . 5680 2 209 . 2 2 23 23 THR HG21 H 1 1.324 0.02 . 1 . . . . . . . . 5680 2 210 . 2 2 23 23 THR HG22 H 1 1.324 0.02 . 1 . . . . . . . . 5680 2 211 . 2 2 23 23 THR HG23 H 1 1.324 0.02 . 1 . . . . . . . . 5680 2 212 . 2 2 24 24 SER H H 1 8.048 0.02 . 1 . . . . . . . . 5680 2 213 . 2 2 24 24 SER N N 15 118.901 0.20 . 1 . . . . . . . . 5680 2 214 . 2 2 24 24 SER CA C 13 62.514 0.30 . 1 . . . . . . . . 5680 2 215 . 2 2 24 24 SER HA H 1 4.345 0.02 . 1 . . . . . . . . 5680 2 216 . 2 2 24 24 SER CB C 13 62.827 0.30 . 1 . . . . . . . . 5680 2 217 . 2 2 24 24 SER HB2 H 1 4.082 0.02 . 1 . . . . . . . . 5680 2 218 . 2 2 24 24 SER HB3 H 1 3.843 0.02 . 1 . . . . . . . . 5680 2 219 . 2 2 25 25 ILE H H 1 8.972 0.02 . 1 . . . . . . . . 5680 2 220 . 2 2 25 25 ILE N N 15 121.971 0.20 . 1 . . . . . . . . 5680 2 221 . 2 2 25 25 ILE CA C 13 66.889 0.30 . 1 . . . . . . . . 5680 2 222 . 2 2 25 25 ILE HA H 1 3.654 0.02 . 1 . . . . . . . . 5680 2 223 . 2 2 25 25 ILE CB C 13 37.199 0.30 . 1 . . . . . . . . 5680 2 224 . 2 2 25 25 ILE HB H 1 2.018 0.02 . 1 . . . . . . . . 5680 2 225 . 2 2 25 25 ILE CG2 C 13 16.885 0.30 . 1 . . . . . . . . 5680 2 226 . 2 2 25 25 ILE HG21 H 1 0.868 0.02 . 1 . . . . . . . . 5680 2 227 . 2 2 25 25 ILE HG22 H 1 0.868 0.02 . 1 . . . . . . . . 5680 2 228 . 2 2 25 25 ILE HG23 H 1 0.868 0.02 . 1 . . . . . . . . 5680 2 229 . 2 2 25 25 ILE HG12 H 1 1.826 0.02 . 1 . . . . . . . . 5680 2 230 . 2 2 25 25 ILE CD1 C 13 14.072 0.30 . 1 . . . . . . . . 5680 2 231 . 2 2 25 25 ILE HD11 H 1 0.851 0.02 . 1 . . . . . . . . 5680 2 232 . 2 2 25 25 ILE HD12 H 1 0.851 0.02 . 1 . . . . . . . . 5680 2 233 . 2 2 25 25 ILE HD13 H 1 0.851 0.02 . 1 . . . . . . . . 5680 2 234 . 2 2 26 26 HIS H H 1 8.116 0.02 . 1 . . . . . . . . 5680 2 235 . 2 2 26 26 HIS N N 15 118.503 0.20 . 1 . . . . . . . . 5680 2 236 . 2 2 26 26 HIS CA C 13 59.900 0.30 . 1 . . . . . . . . 5680 2 237 . 2 2 26 26 HIS HA H 1 4.398 0.02 . 1 . . . . . . . . 5680 2 238 . 2 2 26 26 HIS CB C 13 29.386 0.30 . 1 . . . . . . . . 5680 2 239 . 2 2 26 26 HIS HB2 H 1 3.517 0.02 . 1 . . . . . . . . 5680 2 240 . 2 2 26 26 HIS HB3 H 1 3.427 0.02 . 1 . . . . . . . . 5680 2 241 . 2 2 26 26 HIS HD2 H 1 7.149 0.02 . 1 . . . . . . . . 5680 2 242 . 2 2 26 26 HIS HE1 H 1 8.155 0.02 . 1 . . . . . . . . 5680 2 243 . 2 2 27 27 SER H H 1 7.943 0.02 . 1 . . . . . . . . 5680 2 244 . 2 2 27 27 SER N N 15 113.698 0.20 . 1 . . . . . . . . 5680 2 245 . 2 2 27 27 SER CA C 13 61.889 0.30 . 1 . . . . . . . . 5680 2 246 . 2 2 27 27 SER HA H 1 4.425 0.02 . 1 . . . . . . . . 5680 2 247 . 2 2 27 27 SER CB C 13 63.139 0.30 . 1 . . . . . . . . 5680 2 248 . 2 2 27 27 SER HB2 H 1 4.156 0.02 . 1 . . . . . . . . 5680 2 249 . 2 2 27 27 SER HB3 H 1 4.151 0.02 . 1 . . . . . . . . 5680 2 250 . 2 2 28 28 LEU H H 1 8.556 0.02 . 1 . . . . . . . . 5680 2 251 . 2 2 28 28 LEU N N 15 124.043 0.20 . 1 . . . . . . . . 5680 2 252 . 2 2 28 28 LEU CA C 13 58.139 0.30 . 1 . . . . . . . . 5680 2 253 . 2 2 28 28 LEU HA H 1 4.263 0.02 . 1 . . . . . . . . 5680 2 254 . 2 2 28 28 LEU CB C 13 43.762 0.30 . 1 . . . . . . . . 5680 2 255 . 2 2 28 28 LEU HB2 H 1 2.120 0.02 . 1 . . . . . . . . 5680 2 256 . 2 2 28 28 LEU HB3 H 1 1.342 0.02 . 1 . . . . . . . . 5680 2 257 . 2 2 28 28 LEU CG C 13 27.824 0.30 . 1 . . . . . . . . 5680 2 258 . 2 2 28 28 LEU CD1 C 13 23.761 0.30 . 1 . . . . . . . . 5680 2 259 . 2 2 28 28 LEU HD11 H 1 1.123 0.02 . 1 . . . . . . . . 5680 2 260 . 2 2 28 28 LEU HD12 H 1 1.123 0.02 . 1 . . . . . . . . 5680 2 261 . 2 2 28 28 LEU HD13 H 1 1.123 0.02 . 1 . . . . . . . . 5680 2 262 . 2 2 28 28 LEU CD2 C 13 25.948 0.30 . 1 . . . . . . . . 5680 2 263 . 2 2 28 28 LEU HD21 H 1 0.767 0.02 . 1 . . . . . . . . 5680 2 264 . 2 2 28 28 LEU HD22 H 1 0.767 0.02 . 1 . . . . . . . . 5680 2 265 . 2 2 28 28 LEU HD23 H 1 0.767 0.02 . 1 . . . . . . . . 5680 2 266 . 2 2 28 28 LEU HG H 1 1.927 0.02 . 1 . . . . . . . . 5680 2 267 . 2 2 29 29 LEU H H 1 8.827 0.02 . 1 . . . . . . . . 5680 2 268 . 2 2 29 29 LEU N N 15 120.981 0.20 . 1 . . . . . . . . 5680 2 269 . 2 2 29 29 LEU CA C 13 58.451 0.30 . 1 . . . . . . . . 5680 2 270 . 2 2 29 29 LEU HA H 1 4.454 0.02 . 1 . . . . . . . . 5680 2 271 . 2 2 29 29 LEU CB C 13 41.887 0.30 . 1 . . . . . . . . 5680 2 272 . 2 2 29 29 LEU HB2 H 1 1.675 0.02 . 1 . . . . . . . . 5680 2 273 . 2 2 29 29 LEU HB3 H 1 1.637 0.02 . 1 . . . . . . . . 5680 2 274 . 2 2 29 29 LEU CG C 13 26.886 0.30 . 1 . . . . . . . . 5680 2 275 . 2 2 29 29 LEU CD1 C 13 26.573 0.30 . 1 . . . . . . . . 5680 2 276 . 2 2 29 29 LEU HD11 H 1 0.870 0.02 . 1 . . . . . . . . 5680 2 277 . 2 2 29 29 LEU HD12 H 1 0.870 0.02 . 1 . . . . . . . . 5680 2 278 . 2 2 29 29 LEU HD13 H 1 0.870 0.02 . 1 . . . . . . . . 5680 2 279 . 2 2 29 29 LEU CD2 C 13 23.448 0.30 . 1 . . . . . . . . 5680 2 280 . 2 2 29 29 LEU HD21 H 1 0.600 0.02 . 1 . . . . . . . . 5680 2 281 . 2 2 29 29 LEU HD22 H 1 0.600 0.02 . 1 . . . . . . . . 5680 2 282 . 2 2 29 29 LEU HD23 H 1 0.600 0.02 . 1 . . . . . . . . 5680 2 283 . 2 2 29 29 LEU HG H 1 1.879 0.02 . 1 . . . . . . . . 5680 2 284 . 2 2 30 30 ASP H H 1 7.576 0.02 . 1 . . . . . . . . 5680 2 285 . 2 2 30 30 ASP N N 15 120.606 0.20 . 1 . . . . . . . . 5680 2 286 . 2 2 30 30 ASP CA C 13 57.501 0.30 . 1 . . . . . . . . 5680 2 287 . 2 2 30 30 ASP HA H 1 4.693 0.02 . 1 . . . . . . . . 5680 2 288 . 2 2 30 30 ASP CB C 13 40.625 0.30 . 1 . . . . . . . . 5680 2 289 . 2 2 30 30 ASP HB2 H 1 2.884 0.02 . 1 . . . . . . . . 5680 2 290 . 2 2 30 30 ASP HB3 H 1 2.790 0.02 . 1 . . . . . . . . 5680 2 291 . 2 2 31 31 GLU H H 1 8.555 0.02 . 1 . . . . . . . . 5680 2 292 . 2 2 31 31 GLU N N 15 122.369 0.20 . 1 . . . . . . . . 5680 2 293 . 2 2 31 31 GLU CA C 13 60.326 0.30 . 1 . . . . . . . . 5680 2 294 . 2 2 31 31 GLU HA H 1 4.041 0.02 . 1 . . . . . . . . 5680 2 295 . 2 2 31 31 GLU CB C 13 30.011 0.30 . 1 . . . . . . . . 5680 2 296 . 2 2 31 31 GLU HB2 H 1 2.338 0.02 . 1 . . . . . . . . 5680 2 297 . 2 2 31 31 GLU HB3 H 1 2.258 0.02 . 1 . . . . . . . . 5680 2 298 . 2 2 31 31 GLU CG C 13 37.199 0.30 . 1 . . . . . . . . 5680 2 299 . 2 2 31 31 GLU HG2 H 1 2.558 0.02 . 1 . . . . . . . . 5680 2 300 . 2 2 31 31 GLU HG3 H 1 2.255 0.02 . 1 . . . . . . . . 5680 2 301 . 2 2 32 32 GLY H H 1 9.400 0.02 . 1 . . . . . . . . 5680 2 302 . 2 2 32 32 GLY N N 15 109.698 0.20 . 1 . . . . . . . . 5680 2 303 . 2 2 32 32 GLY CA C 13 47.200 0.30 . 1 . . . . . . . . 5680 2 304 . 2 2 32 32 GLY HA2 H 1 3.788 0.02 . 1 . . . . . . . . 5680 2 305 . 2 2 32 32 GLY HA3 H 1 3.733 0.02 . 1 . . . . . . . . 5680 2 306 . 2 2 33 33 LYS H H 1 8.117 0.02 . 1 . . . . . . . . 5680 2 307 . 2 2 33 33 LYS N N 15 123.062 0.20 . 1 . . . . . . . . 5680 2 308 . 2 2 33 33 LYS CA C 13 59.389 0.30 . 1 . . . . . . . . 5680 2 309 . 2 2 33 33 LYS HA H 1 3.110 0.02 . 1 . . . . . . . . 5680 2 310 . 2 2 33 33 LYS CB C 13 32.199 0.30 . 1 . . . . . . . . 5680 2 311 . 2 2 33 33 LYS HB2 H 1 2.160 0.02 . 1 . . . . . . . . 5680 2 312 . 2 2 33 33 LYS HB3 H 1 2.071 0.02 . 1 . . . . . . . . 5680 2 313 . 2 2 33 33 LYS CG C 13 25.323 0.30 . 1 . . . . . . . . 5680 2 314 . 2 2 33 33 LYS HG2 H 1 1.363 0.02 . 2 . . . . . . . . 5680 2 315 . 2 2 33 33 LYS CD C 13 29.386 0.30 . 1 . . . . . . . . 5680 2 316 . 2 2 33 33 LYS HD2 H 1 1.796 0.02 . 1 . . . . . . . . 5680 2 317 . 2 2 33 33 LYS HD3 H 1 1.752 0.02 . 1 . . . . . . . . 5680 2 318 . 2 2 33 33 LYS CE C 13 42.512 0.30 . 1 . . . . . . . . 5680 2 319 . 2 2 33 33 LYS HE2 H 1 3.065 0.02 . 1 . . . . . . . . 5680 2 320 . 2 2 33 33 LYS HE3 H 1 2.839 0.02 . 1 . . . . . . . . 5680 2 321 . 2 2 34 34 GLN H H 1 7.729 0.02 . 1 . . . . . . . . 5680 2 322 . 2 2 34 34 GLN N N 15 117.844 0.20 . 1 . . . . . . . . 5680 2 323 . 2 2 34 34 GLN CA C 13 58.451 0.30 . 1 . . . . . . . . 5680 2 324 . 2 2 34 34 GLN HA H 1 4.052 0.02 . 1 . . . . . . . . 5680 2 325 . 2 2 34 34 GLN CB C 13 28.449 0.30 . 1 . . . . . . . . 5680 2 326 . 2 2 34 34 GLN HB2 H 1 2.204 0.02 . 1 . . . . . . . . 5680 2 327 . 2 2 34 34 GLN HB3 H 1 2.169 0.02 . 1 . . . . . . . . 5680 2 328 . 2 2 34 34 GLN CG C 13 34.387 0.30 . 1 . . . . . . . . 5680 2 329 . 2 2 34 34 GLN HG2 H 1 2.508 0.02 . 1 . . . . . . . . 5680 2 330 . 2 2 34 34 GLN HG3 H 1 2.470 0.02 . 1 . . . . . . . . 5680 2 331 . 2 2 35 35 SER H H 1 8.013 0.02 . 1 . . . . . . . . 5680 2 332 . 2 2 35 35 SER N N 15 117.090 0.20 . 1 . . . . . . . . 5680 2 333 . 2 2 35 35 SER CA C 13 61.889 0.30 . 1 . . . . . . . . 5680 2 334 . 2 2 35 35 SER HA H 1 4.156 0.02 . 1 . . . . . . . . 5680 2 335 . 2 2 35 35 SER CB C 13 64.077 0.30 . 1 . . . . . . . . 5680 2 336 . 2 2 35 35 SER HB2 H 1 4.103 0.02 . 1 . . . . . . . . 5680 2 337 . 2 2 35 35 SER HB3 H 1 3.902 0.02 . 1 . . . . . . . . 5680 2 338 . 2 2 36 36 LEU H H 1 8.220 0.02 . 1 . . . . . . . . 5680 2 339 . 2 2 36 36 LEU N N 15 118.746 0.20 . 1 . . . . . . . . 5680 2 340 . 2 2 36 36 LEU CA C 13 58.451 0.30 . 1 . . . . . . . . 5680 2 341 . 2 2 36 36 LEU HA H 1 3.851 0.02 . 1 . . . . . . . . 5680 2 342 . 2 2 36 36 LEU CB C 13 42.200 0.30 . 1 . . . . . . . . 5680 2 343 . 2 2 36 36 LEU HB2 H 1 1.420 0.02 . 1 . . . . . . . . 5680 2 344 . 2 2 36 36 LEU HB3 H 1 1.244 0.02 . 1 . . . . . . . . 5680 2 345 . 2 2 36 36 LEU CG C 13 26.261 0.30 . 1 . . . . . . . . 5680 2 346 . 2 2 36 36 LEU CD1 C 13 24.073 0.30 . 1 . . . . . . . . 5680 2 347 . 2 2 36 36 LEU HD11 H 1 0.326 0.02 . 1 . . . . . . . . 5680 2 348 . 2 2 36 36 LEU HD12 H 1 0.326 0.02 . 1 . . . . . . . . 5680 2 349 . 2 2 36 36 LEU HD13 H 1 0.326 0.02 . 1 . . . . . . . . 5680 2 350 . 2 2 36 36 LEU CD2 C 13 24.698 0.30 . 1 . . . . . . . . 5680 2 351 . 2 2 36 36 LEU HD21 H 1 0.253 0.02 . 1 . . . . . . . . 5680 2 352 . 2 2 36 36 LEU HD22 H 1 0.253 0.02 . 1 . . . . . . . . 5680 2 353 . 2 2 36 36 LEU HD23 H 1 0.253 0.02 . 1 . . . . . . . . 5680 2 354 . 2 2 36 36 LEU HG H 1 1.374 0.02 . 1 . . . . . . . . 5680 2 355 . 2 2 37 37 THR H H 1 7.580 0.02 . 1 . . . . . . . . 5680 2 356 . 2 2 37 37 THR N N 15 111.733 0.20 . 1 . . . . . . . . 5680 2 357 . 2 2 37 37 THR CA C 13 65.639 0.30 . 1 . . . . . . . . 5680 2 358 . 2 2 37 37 THR HA H 1 4.387 0.02 . 1 . . . . . . . . 5680 2 359 . 2 2 37 37 THR CB C 13 69.390 0.30 . 1 . . . . . . . . 5680 2 360 . 2 2 37 37 THR HB H 1 4.342 0.02 . 1 . . . . . . . . 5680 2 361 . 2 2 37 37 THR CG2 C 13 20.948 0.30 . 1 . . . . . . . . 5680 2 362 . 2 2 37 37 THR HG21 H 1 1.283 0.02 . 1 . . . . . . . . 5680 2 363 . 2 2 37 37 THR HG22 H 1 1.283 0.02 . 1 . . . . . . . . 5680 2 364 . 2 2 37 37 THR HG23 H 1 1.283 0.02 . 1 . . . . . . . . 5680 2 365 . 2 2 38 38 LYS H H 1 7.508 0.02 . 1 . . . . . . . . 5680 2 366 . 2 2 38 38 LYS N N 15 121.762 0.20 . 1 . . . . . . . . 5680 2 367 . 2 2 38 38 LYS CA C 13 58.451 0.30 . 1 . . . . . . . . 5680 2 368 . 2 2 38 38 LYS HA H 1 4.170 0.02 . 1 . . . . . . . . 5680 2 369 . 2 2 38 38 LYS CB C 13 33.137 0.30 . 1 . . . . . . . . 5680 2 370 . 2 2 38 38 LYS HB2 H 1 2.089 0.02 . 1 . . . . . . . . 5680 2 371 . 2 2 38 38 LYS HB3 H 1 2.038 0.02 . 1 . . . . . . . . 5680 2 372 . 2 2 38 38 LYS CG C 13 25.948 0.30 . 1 . . . . . . . . 5680 2 373 . 2 2 38 38 LYS HG2 H 1 1.643 0.02 . 1 . . . . . . . . 5680 2 374 . 2 2 38 38 LYS HG3 H 1 1.458 0.02 . 1 . . . . . . . . 5680 2 375 . 2 2 38 38 LYS CD C 13 29.386 0.30 . 1 . . . . . . . . 5680 2 376 . 2 2 38 38 LYS HD2 H 1 1.705 0.02 . 2 . . . . . . . . 5680 2 377 . 2 2 38 38 LYS CE C 13 42.200 0.30 . 1 . . . . . . . . 5680 2 378 . 2 2 38 38 LYS HE2 H 1 2.922 0.02 . 1 . . . . . . . . 5680 2 379 . 2 2 39 39 LEU H H 1 7.850 0.02 . 1 . . . . . . . . 5680 2 380 . 2 2 39 39 LEU N N 15 121.617 0.20 . 1 . . . . . . . . 5680 2 381 . 2 2 39 39 LEU CA C 13 54.701 0.30 . 1 . . . . . . . . 5680 2 382 . 2 2 39 39 LEU HA H 1 4.282 0.02 . 1 . . . . . . . . 5680 2 383 . 2 2 39 39 LEU CB C 13 43.137 0.30 . 1 . . . . . . . . 5680 2 384 . 2 2 39 39 LEU HB2 H 1 2.000 0.02 . 1 . . . . . . . . 5680 2 385 . 2 2 39 39 LEU HB3 H 1 1.965 0.02 . 1 . . . . . . . . 5680 2 386 . 2 2 39 39 LEU CG C 13 26.261 0.30 . 1 . . . . . . . . 5680 2 387 . 2 2 39 39 LEU CD1 C 13 24.073 0.30 . 1 . . . . . . . . 5680 2 388 . 2 2 39 39 LEU HD11 H 1 0.813 0.02 . 1 . . . . . . . . 5680 2 389 . 2 2 39 39 LEU HD12 H 1 0.813 0.02 . 1 . . . . . . . . 5680 2 390 . 2 2 39 39 LEU HD13 H 1 0.813 0.02 . 1 . . . . . . . . 5680 2 391 . 2 2 39 39 LEU CD2 C 13 25.948 0.30 . 1 . . . . . . . . 5680 2 392 . 2 2 39 39 LEU HD21 H 1 0.675 0.02 . 1 . . . . . . . . 5680 2 393 . 2 2 39 39 LEU HD22 H 1 0.675 0.02 . 1 . . . . . . . . 5680 2 394 . 2 2 39 39 LEU HD23 H 1 0.675 0.02 . 1 . . . . . . . . 5680 2 395 . 2 2 39 39 LEU HG H 1 1.676 0.02 . 1 . . . . . . . . 5680 2 396 . 2 2 40 40 ALA H H 1 7.007 0.02 . 1 . . . . . . . . 5680 2 397 . 2 2 40 40 ALA N N 15 121.014 0.20 . 1 . . . . . . . . 5680 2 398 . 2 2 40 40 ALA CA C 13 56.263 0.30 . 1 . . . . . . . . 5680 2 399 . 2 2 40 40 ALA HA H 1 3.991 0.02 . 1 . . . . . . . . 5680 2 400 . 2 2 40 40 ALA CB C 13 18.760 0.30 . 1 . . . . . . . . 5680 2 401 . 2 2 40 40 ALA HB1 H 1 0.806 0.02 . 1 . . . . . . . . 5680 2 402 . 2 2 40 40 ALA HB2 H 1 0.806 0.02 . 1 . . . . . . . . 5680 2 403 . 2 2 40 40 ALA HB3 H 1 0.806 0.02 . 1 . . . . . . . . 5680 2 404 . 2 2 41 41 ALA H H 1 8.855 0.02 . 1 . . . . . . . . 5680 2 405 . 2 2 41 41 ALA N N 15 120.387 0.20 . 1 . . . . . . . . 5680 2 406 . 2 2 41 41 ALA CA C 13 55.326 0.30 . 1 . . . . . . . . 5680 2 407 . 2 2 41 41 ALA HA H 1 3.921 0.02 . 1 . . . . . . . . 5680 2 408 . 2 2 41 41 ALA CB C 13 19.073 0.30 . 1 . . . . . . . . 5680 2 409 . 2 2 41 41 ALA HB1 H 1 1.384 0.02 . 1 . . . . . . . . 5680 2 410 . 2 2 41 41 ALA HB2 H 1 1.384 0.02 . 1 . . . . . . . . 5680 2 411 . 2 2 41 41 ALA HB3 H 1 1.384 0.02 . 1 . . . . . . . . 5680 2 412 . 2 2 42 42 ALA H H 1 8.637 0.02 . 1 . . . . . . . . 5680 2 413 . 2 2 42 42 ALA N N 15 120.544 0.20 . 1 . . . . . . . . 5680 2 414 . 2 2 42 42 ALA CA C 13 54.388 0.30 . 1 . . . . . . . . 5680 2 415 . 2 2 42 42 ALA HA H 1 3.820 0.02 . 1 . . . . . . . . 5680 2 416 . 2 2 42 42 ALA CB C 13 16.260 0.30 . 1 . . . . . . . . 5680 2 417 . 2 2 42 42 ALA HB1 H 1 0.617 0.02 . 1 . . . . . . . . 5680 2 418 . 2 2 42 42 ALA HB2 H 1 0.617 0.02 . 1 . . . . . . . . 5680 2 419 . 2 2 42 42 ALA HB3 H 1 0.617 0.02 . 1 . . . . . . . . 5680 2 420 . 2 2 43 43 TRP H H 1 7.744 0.02 . 1 . . . . . . . . 5680 2 421 . 2 2 43 43 TRP N N 15 116.456 0.20 . 1 . . . . . . . . 5680 2 422 . 2 2 43 43 TRP CA C 13 59.200 0.30 . 1 . . . . . . . . 5680 2 423 . 2 2 43 43 TRP HA H 1 4.744 0.02 . 1 . . . . . . . . 5680 2 424 . 2 2 43 43 TRP CB C 13 29.600 0.30 . 1 . . . . . . . . 5680 2 425 . 2 2 43 43 TRP HB2 H 1 3.643 0.02 . 1 . . . . . . . . 5680 2 426 . 2 2 43 43 TRP HB3 H 1 3.030 0.02 . 1 . . . . . . . . 5680 2 427 . 2 2 43 43 TRP HD1 H 1 7.196 0.02 . 1 . . . . . . . . 5680 2 428 . 2 2 43 43 TRP NE1 N 15 129.536 0.20 . 1 . . . . . . . . 5680 2 429 . 2 2 43 43 TRP HE1 H 1 9.960 0.02 . 1 . . . . . . . . 5680 2 430 . 2 2 43 43 TRP HE3 H 1 7.592 0.02 . 1 . . . . . . . . 5680 2 431 . 2 2 43 43 TRP HZ2 H 1 7.296 0.02 . 1 . . . . . . . . 5680 2 432 . 2 2 43 43 TRP HZ3 H 1 6.870 0.02 . 1 . . . . . . . . 5680 2 433 . 2 2 43 43 TRP HH2 H 1 6.737 0.02 . 1 . . . . . . . . 5680 2 434 . 2 2 44 44 GLY H H 1 7.586 0.02 . 1 . . . . . . . . 5680 2 435 . 2 2 44 44 GLY N N 15 106.416 0.20 . 1 . . . . . . . . 5680 2 436 . 2 2 44 44 GLY CA C 13 45.200 0.30 . 1 . . . . . . . . 5680 2 437 . 2 2 44 44 GLY HA2 H 1 4.499 0.02 . 1 . . . . . . . . 5680 2 438 . 2 2 44 44 GLY HA3 H 1 3.844 0.02 . 1 . . . . . . . . 5680 2 439 . 2 2 45 45 GLY H H 1 7.801 0.02 . 1 . . . . . . . . 5680 2 440 . 2 2 45 45 GLY N N 15 109.005 0.20 . 1 . . . . . . . . 5680 2 441 . 2 2 45 45 GLY CA C 13 43.450 0.30 . 1 . . . . . . . . 5680 2 442 . 2 2 45 45 GLY HA2 H 1 4.580 0.02 . 1 . . . . . . . . 5680 2 443 . 2 2 45 45 GLY HA3 H 1 3.332 0.02 . 1 . . . . . . . . 5680 2 444 . 2 2 46 46 SER H H 1 8.415 0.02 . 1 . . . . . . . . 5680 2 445 . 2 2 46 46 SER N N 15 113.346 0.20 . 1 . . . . . . . . 5680 2 446 . 2 2 46 46 SER CA C 13 60.326 0.30 . 1 . . . . . . . . 5680 2 447 . 2 2 46 46 SER HA H 1 3.740 0.02 . 1 . . . . . . . . 5680 2 448 . 2 2 46 46 SER CB C 13 62.827 0.30 . 1 . . . . . . . . 5680 2 449 . 2 2 46 46 SER HB2 H 1 3.845 0.02 . 1 . . . . . . . . 5680 2 450 . 2 2 46 46 SER HB3 H 1 3.588 0.02 . 1 . . . . . . . . 5680 2 451 . 2 2 47 47 GLY H H 1 8.456 0.02 . 1 . . . . . . . . 5680 2 452 . 2 2 47 47 GLY N N 15 109.416 0.20 . 1 . . . . . . . . 5680 2 453 . 2 2 47 47 GLY CA C 13 44.700 0.30 . 1 . . . . . . . . 5680 2 454 . 2 2 47 47 GLY HA2 H 1 4.259 0.02 . 1 . . . . . . . . 5680 2 455 . 2 2 47 47 GLY HA3 H 1 3.733 0.02 . 1 . . . . . . . . 5680 2 456 . 2 2 48 48 SER H H 1 7.717 0.02 . 1 . . . . . . . . 5680 2 457 . 2 2 48 48 SER N N 15 117.149 0.20 . 1 . . . . . . . . 5680 2 458 . 2 2 48 48 SER CA C 13 57.514 0.30 . 1 . . . . . . . . 5680 2 459 . 2 2 48 48 SER HA H 1 4.586 0.02 . 1 . . . . . . . . 5680 2 460 . 2 2 48 48 SER CB C 13 65.014 0.30 . 1 . . . . . . . . 5680 2 461 . 2 2 48 48 SER HB2 H 1 4.349 0.02 . 1 . . . . . . . . 5680 2 462 . 2 2 48 48 SER HB3 H 1 4.086 0.02 . 1 . . . . . . . . 5680 2 463 . 2 2 49 49 GLU H H 1 9.161 0.02 . 1 . . . . . . . . 5680 2 464 . 2 2 49 49 GLU N N 15 126.182 0.20 . 1 . . . . . . . . 5680 2 465 . 2 2 49 49 GLU CA C 13 59.692 0.30 . 1 . . . . . . . . 5680 2 466 . 2 2 49 49 GLU HA H 1 4.059 0.02 . 1 . . . . . . . . 5680 2 467 . 2 2 49 49 GLU CB C 13 29.374 0.30 . 1 . . . . . . . . 5680 2 468 . 2 2 49 49 GLU HB2 H 1 2.099 0.02 . 1 . . . . . . . . 5680 2 469 . 2 2 49 49 GLU HB3 H 1 2.056 0.02 . 1 . . . . . . . . 5680 2 470 . 2 2 49 49 GLU CG C 13 36.874 0.30 . 1 . . . . . . . . 5680 2 471 . 2 2 49 49 GLU HG2 H 1 2.419 0.02 . 1 . . . . . . . . 5680 2 472 . 2 2 49 49 GLU HG3 H 1 2.329 0.02 . 1 . . . . . . . . 5680 2 473 . 2 2 50 50 ALA H H 1 8.593 0.02 . 1 . . . . . . . . 5680 2 474 . 2 2 50 50 ALA N N 15 122.600 0.20 . 1 . . . . . . . . 5680 2 475 . 2 2 50 50 ALA CA C 13 55.013 0.30 . 1 . . . . . . . . 5680 2 476 . 2 2 50 50 ALA HA H 1 4.203 0.02 . 1 . . . . . . . . 5680 2 477 . 2 2 50 50 ALA CB C 13 18.448 0.30 . 1 . . . . . . . . 5680 2 478 . 2 2 50 50 ALA HB1 H 1 1.710 0.02 . 1 . . . . . . . . 5680 2 479 . 2 2 50 50 ALA HB2 H 1 1.710 0.02 . 1 . . . . . . . . 5680 2 480 . 2 2 50 50 ALA HB3 H 1 1.710 0.02 . 1 . . . . . . . . 5680 2 481 . 2 2 51 51 TYR H H 1 7.886 0.02 . 1 . . . . . . . . 5680 2 482 . 2 2 51 51 TYR N N 15 119.594 0.20 . 1 . . . . . . . . 5680 2 483 . 2 2 51 51 TYR CA C 13 61.000 0.30 . 1 . . . . . . . . 5680 2 484 . 2 2 51 51 TYR HA H 1 3.985 0.02 . 1 . . . . . . . . 5680 2 485 . 2 2 51 51 TYR CB C 13 38.500 0.30 . 1 . . . . . . . . 5680 2 486 . 2 2 51 51 TYR HB2 H 1 3.106 0.02 . 1 . . . . . . . . 5680 2 487 . 2 2 51 51 TYR HB3 H 1 3.037 0.02 . 1 . . . . . . . . 5680 2 488 . 2 2 51 51 TYR HD1 H 1 6.937 0.02 . 2 . . . . . . . . 5680 2 489 . 2 2 51 51 TYR HE1 H 1 6.631 0.02 . 2 . . . . . . . . 5680 2 490 . 2 2 52 52 GLN H H 1 8.033 0.02 . 1 . . . . . . . . 5680 2 491 . 2 2 52 52 GLN N N 15 118.207 0.20 . 1 . . . . . . . . 5680 2 492 . 2 2 52 52 GLN CA C 13 59.064 0.30 . 1 . . . . . . . . 5680 2 493 . 2 2 52 52 GLN HA H 1 3.655 0.02 . 1 . . . . . . . . 5680 2 494 . 2 2 52 52 GLN CB C 13 27.499 0.30 . 1 . . . . . . . . 5680 2 495 . 2 2 52 52 GLN HB2 H 1 2.110 0.02 . 2 . . . . . . . . 5680 2 496 . 2 2 52 52 GLN CG C 13 34.062 0.30 . 1 . . . . . . . . 5680 2 497 . 2 2 52 52 GLN HG2 H 1 2.579 0.02 . 1 . . . . . . . . 5680 2 498 . 2 2 52 52 GLN HG3 H 1 2.457 0.02 . 1 . . . . . . . . 5680 2 499 . 2 2 53 53 GLY H H 1 7.980 0.02 . 1 . . . . . . . . 5680 2 500 . 2 2 53 53 GLY N N 15 106.416 0.20 . 1 . . . . . . . . 5680 2 501 . 2 2 53 53 GLY CA C 13 46.900 0.30 . 1 . . . . . . . . 5680 2 502 . 2 2 53 53 GLY HA2 H 1 3.870 0.02 . 1 . . . . . . . . 5680 2 503 . 2 2 53 53 GLY HA3 H 1 3.790 0.02 . 1 . . . . . . . . 5680 2 504 . 2 2 54 54 VAL H H 1 7.398 0.02 . 1 . . . . . . . . 5680 2 505 . 2 2 54 54 VAL N N 15 125.004 0.20 . 1 . . . . . . . . 5680 2 506 . 2 2 54 54 VAL CA C 13 66.264 0.30 . 1 . . . . . . . . 5680 2 507 . 2 2 54 54 VAL HA H 1 3.506 0.02 . 1 . . . . . . . . 5680 2 508 . 2 2 54 54 VAL CB C 13 31.261 0.30 . 1 . . . . . . . . 5680 2 509 . 2 2 54 54 VAL HB H 1 1.448 0.02 . 1 . . . . . . . . 5680 2 510 . 2 2 54 54 VAL CG1 C 13 21.573 0.30 . 1 . . . . . . . . 5680 2 511 . 2 2 54 54 VAL HG11 H 1 0.247 0.02 . 1 . . . . . . . . 5680 2 512 . 2 2 54 54 VAL HG12 H 1 0.247 0.02 . 1 . . . . . . . . 5680 2 513 . 2 2 54 54 VAL HG13 H 1 0.247 0.02 . 1 . . . . . . . . 5680 2 514 . 2 2 54 54 VAL CG2 C 13 20.323 0.30 . 1 . . . . . . . . 5680 2 515 . 2 2 54 54 VAL HG21 H 1 0.113 0.02 . 1 . . . . . . . . 5680 2 516 . 2 2 54 54 VAL HG22 H 1 0.113 0.02 . 1 . . . . . . . . 5680 2 517 . 2 2 54 54 VAL HG23 H 1 0.113 0.02 . 1 . . . . . . . . 5680 2 518 . 2 2 55 55 GLN H H 1 7.671 0.02 . 1 . . . . . . . . 5680 2 519 . 2 2 55 55 GLN N N 15 120.057 0.20 . 1 . . . . . . . . 5680 2 520 . 2 2 55 55 GLN CA C 13 58.764 0.30 . 1 . . . . . . . . 5680 2 521 . 2 2 55 55 GLN HA H 1 3.916 0.02 . 1 . . . . . . . . 5680 2 522 . 2 2 55 55 GLN CB C 13 28.136 0.30 . 1 . . . . . . . . 5680 2 523 . 2 2 55 55 GLN HB2 H 1 1.830 0.02 . 1 . . . . . . . . 5680 2 524 . 2 2 55 55 GLN HB3 H 1 1.548 0.02 . 1 . . . . . . . . 5680 2 525 . 2 2 55 55 GLN CG C 13 32.511 0.30 . 1 . . . . . . . . 5680 2 526 . 2 2 55 55 GLN HG2 H 1 1.843 0.02 . 1 . . . . . . . . 5680 2 527 . 2 2 55 55 GLN HG3 H 1 1.550 0.02 . 1 . . . . . . . . 5680 2 528 . 2 2 56 56 GLN H H 1 8.012 0.02 . 1 . . . . . . . . 5680 2 529 . 2 2 56 56 GLN N N 15 118.536 0.20 . 1 . . . . . . . . 5680 2 530 . 2 2 56 56 GLN CA C 13 59.389 0.30 . 1 . . . . . . . . 5680 2 531 . 2 2 56 56 GLN HA H 1 4.103 0.02 . 1 . . . . . . . . 5680 2 532 . 2 2 56 56 GLN CB C 13 28.449 0.30 . 1 . . . . . . . . 5680 2 533 . 2 2 56 56 GLN HB2 H 1 2.145 0.02 . 1 . . . . . . . . 5680 2 534 . 2 2 56 56 GLN HB3 H 1 2.094 0.02 . 1 . . . . . . . . 5680 2 535 . 2 2 56 56 GLN CG C 13 34.074 0.30 . 1 . . . . . . . . 5680 2 536 . 2 2 56 56 GLN HG2 H 1 2.536 0.02 . 1 . . . . . . . . 5680 2 537 . 2 2 56 56 GLN HG3 H 1 2.407 0.02 . 1 . . . . . . . . 5680 2 538 . 2 2 57 57 LYS H H 1 7.976 0.02 . 1 . . . . . . . . 5680 2 539 . 2 2 57 57 LYS N N 15 121.675 0.20 . 1 . . . . . . . . 5680 2 540 . 2 2 57 57 LYS CA C 13 59.701 0.30 . 1 . . . . . . . . 5680 2 541 . 2 2 57 57 LYS HA H 1 4.088 0.02 . 1 . . . . . . . . 5680 2 542 . 2 2 57 57 LYS CB C 13 32.199 0.30 . 1 . . . . . . . . 5680 2 543 . 2 2 57 57 LYS HB2 H 1 2.014 0.02 . 1 . . . . . . . . 5680 2 544 . 2 2 57 57 LYS HB3 H 1 1.874 0.02 . 1 . . . . . . . . 5680 2 545 . 2 2 57 57 LYS CG C 13 25.323 0.30 . 1 . . . . . . . . 5680 2 546 . 2 2 57 57 LYS HG2 H 1 1.424 0.02 . 2 . . . . . . . . 5680 2 547 . 2 2 57 57 LYS CD C 13 29.699 0.30 . 1 . . . . . . . . 5680 2 548 . 2 2 57 57 LYS HD2 H 1 1.689 0.02 . 2 . . . . . . . . 5680 2 549 . 2 2 57 57 LYS CE C 13 41.887 0.30 . 1 . . . . . . . . 5680 2 550 . 2 2 57 57 LYS HE2 H 1 2.937 0.02 . 1 . . . . . . . . 5680 2 551 . 2 2 57 57 LYS HE3 H 1 2.861 0.02 . 1 . . . . . . . . 5680 2 552 . 2 2 58 58 TRP H H 1 8.502 0.02 . 1 . . . . . . . . 5680 2 553 . 2 2 58 58 TRP N N 15 123.525 0.20 . 1 . . . . . . . . 5680 2 554 . 2 2 58 58 TRP CA C 13 60.700 0.30 . 1 . . . . . . . . 5680 2 555 . 2 2 58 58 TRP HA H 1 4.269 0.02 . 1 . . . . . . . . 5680 2 556 . 2 2 58 58 TRP CB C 13 27.500 0.30 . 1 . . . . . . . . 5680 2 557 . 2 2 58 58 TRP HB2 H 1 3.367 0.02 . 1 . . . . . . . . 5680 2 558 . 2 2 58 58 TRP HB3 H 1 3.143 0.02 . 1 . . . . . . . . 5680 2 559 . 2 2 58 58 TRP HD1 H 1 7.220 0.02 . 1 . . . . . . . . 5680 2 560 . 2 2 58 58 TRP NE1 N 15 128.611 0.20 . 1 . . . . . . . . 5680 2 561 . 2 2 58 58 TRP HE1 H 1 9.973 0.02 . 1 . . . . . . . . 5680 2 562 . 2 2 58 58 TRP HE3 H 1 7.490 0.02 . 1 . . . . . . . . 5680 2 563 . 2 2 58 58 TRP HZ2 H 1 7.891 0.02 . 1 . . . . . . . . 5680 2 564 . 2 2 58 58 TRP HZ3 H 1 6.990 0.02 . 1 . . . . . . . . 5680 2 565 . 2 2 58 58 TRP HH2 H 1 6.824 0.02 . 1 . . . . . . . . 5680 2 566 . 2 2 59 59 ASP H H 1 8.404 0.02 . 1 . . . . . . . . 5680 2 567 . 2 2 59 59 ASP N N 15 119.177 0.20 . 1 . . . . . . . . 5680 2 568 . 2 2 59 59 ASP CA C 13 57.814 0.30 . 1 . . . . . . . . 5680 2 569 . 2 2 59 59 ASP HA H 1 4.481 0.02 . 1 . . . . . . . . 5680 2 570 . 2 2 59 59 ASP CB C 13 40.312 0.30 . 1 . . . . . . . . 5680 2 571 . 2 2 59 59 ASP HB2 H 1 2.829 0.02 . 1 . . . . . . . . 5680 2 572 . 2 2 59 59 ASP HB3 H 1 2.752 0.02 . 1 . . . . . . . . 5680 2 573 . 2 2 60 60 ALA H H 1 8.166 0.02 . 1 . . . . . . . . 5680 2 574 . 2 2 60 60 ALA N N 15 123.602 0.20 . 1 . . . . . . . . 5680 2 575 . 2 2 60 60 ALA CA C 13 55.638 0.30 . 1 . . . . . . . . 5680 2 576 . 2 2 60 60 ALA HA H 1 4.145 0.02 . 1 . . . . . . . . 5680 2 577 . 2 2 60 60 ALA CB C 13 18.135 0.30 . 1 . . . . . . . . 5680 2 578 . 2 2 60 60 ALA HB1 H 1 1.522 0.02 . 1 . . . . . . . . 5680 2 579 . 2 2 60 60 ALA HB2 H 1 1.522 0.02 . 1 . . . . . . . . 5680 2 580 . 2 2 60 60 ALA HB3 H 1 1.522 0.02 . 1 . . . . . . . . 5680 2 581 . 2 2 61 61 THR H H 1 8.342 0.02 . 1 . . . . . . . . 5680 2 582 . 2 2 61 61 THR N N 15 117.340 0.20 . 1 . . . . . . . . 5680 2 583 . 2 2 61 61 THR CA C 13 68.452 0.30 . 1 . . . . . . . . 5680 2 584 . 2 2 61 61 THR HA H 1 3.779 0.02 . 1 . . . . . . . . 5680 2 585 . 2 2 61 61 THR CB C 13 66.264 0.30 . 1 . . . . . . . . 5680 2 586 . 2 2 61 61 THR HB H 1 3.783 0.02 . 1 . . . . . . . . 5680 2 587 . 2 2 61 61 THR CG2 C 13 20.635 0.30 . 1 . . . . . . . . 5680 2 588 . 2 2 61 61 THR HG21 H 1 0.931 0.02 . 1 . . . . . . . . 5680 2 589 . 2 2 61 61 THR HG22 H 1 0.931 0.02 . 1 . . . . . . . . 5680 2 590 . 2 2 61 61 THR HG23 H 1 0.931 0.02 . 1 . . . . . . . . 5680 2 591 . 2 2 62 62 ALA H H 1 8.668 0.02 . 1 . . . . . . . . 5680 2 592 . 2 2 62 62 ALA N N 15 125.671 0.20 . 1 . . . . . . . . 5680 2 593 . 2 2 62 62 ALA CA C 13 55.013 0.30 . 1 . . . . . . . . 5680 2 594 . 2 2 62 62 ALA HA H 1 3.906 0.02 . 1 . . . . . . . . 5680 2 595 . 2 2 62 62 ALA CB C 13 18.760 0.30 . 1 . . . . . . . . 5680 2 596 . 2 2 62 62 ALA HB1 H 1 1.236 0.02 . 1 . . . . . . . . 5680 2 597 . 2 2 62 62 ALA HB2 H 1 1.236 0.02 . 1 . . . . . . . . 5680 2 598 . 2 2 62 62 ALA HB3 H 1 1.236 0.02 . 1 . . . . . . . . 5680 2 599 . 2 2 63 63 THR H H 1 8.092 0.02 . 1 . . . . . . . . 5680 2 600 . 2 2 63 63 THR N N 15 114.831 0.20 . 1 . . . . . . . . 5680 2 601 . 2 2 63 63 THR CA C 13 68.765 0.30 . 1 . . . . . . . . 5680 2 602 . 2 2 63 63 THR HA H 1 3.982 0.02 . 1 . . . . . . . . 5680 2 603 . 2 2 63 63 THR CB C 13 67.202 0.30 . 1 . . . . . . . . 5680 2 604 . 2 2 63 63 THR HB H 1 3.980 0.02 . 1 . . . . . . . . 5680 2 605 . 2 2 63 63 THR CG2 C 13 21.261 0.30 . 1 . . . . . . . . 5680 2 606 . 2 2 63 63 THR HG21 H 1 1.248 0.02 . 1 . . . . . . . . 5680 2 607 . 2 2 63 63 THR HG22 H 1 1.248 0.02 . 1 . . . . . . . . 5680 2 608 . 2 2 63 63 THR HG23 H 1 1.248 0.02 . 1 . . . . . . . . 5680 2 609 . 2 2 64 64 GLU H H 1 7.444 0.02 . 1 . . . . . . . . 5680 2 610 . 2 2 64 64 GLU N N 15 121.290 0.20 . 1 . . . . . . . . 5680 2 611 . 2 2 64 64 GLU CA C 13 58.764 0.30 . 1 . . . . . . . . 5680 2 612 . 2 2 64 64 GLU HA H 1 4.367 0.02 . 1 . . . . . . . . 5680 2 613 . 2 2 64 64 GLU CB C 13 28.449 0.30 . 1 . . . . . . . . 5680 2 614 . 2 2 64 64 GLU HB2 H 1 2.013 0.02 . 1 . . . . . . . . 5680 2 615 . 2 2 64 64 GLU HB3 H 1 1.953 0.02 . 1 . . . . . . . . 5680 2 616 . 2 2 64 64 GLU CG C 13 35.324 0.30 . 1 . . . . . . . . 5680 2 617 . 2 2 64 64 GLU HG2 H 1 2.414 0.02 . 1 . . . . . . . . 5680 2 618 . 2 2 64 64 GLU HG3 H 1 2.285 0.02 . 1 . . . . . . . . 5680 2 619 . 2 2 65 65 LEU H H 1 8.252 0.02 . 1 . . . . . . . . 5680 2 620 . 2 2 65 65 LEU N N 15 121.733 0.20 . 1 . . . . . . . . 5680 2 621 . 2 2 65 65 LEU CA C 13 58.764 0.30 . 1 . . . . . . . . 5680 2 622 . 2 2 65 65 LEU HA H 1 4.043 0.02 . 1 . . . . . . . . 5680 2 623 . 2 2 65 65 LEU CB C 13 40.950 0.30 . 1 . . . . . . . . 5680 2 624 . 2 2 65 65 LEU HB2 H 1 2.021 0.02 . 1 . . . . . . . . 5680 2 625 . 2 2 65 65 LEU HB3 H 1 1.335 0.02 . 1 . . . . . . . . 5680 2 626 . 2 2 65 65 LEU CG C 13 26.886 0.30 . 1 . . . . . . . . 5680 2 627 . 2 2 65 65 LEU CD1 C 13 26.573 0.30 . 1 . . . . . . . . 5680 2 628 . 2 2 65 65 LEU HD11 H 1 0.909 0.02 . 1 . . . . . . . . 5680 2 629 . 2 2 65 65 LEU HD12 H 1 0.909 0.02 . 1 . . . . . . . . 5680 2 630 . 2 2 65 65 LEU HD13 H 1 0.909 0.02 . 1 . . . . . . . . 5680 2 631 . 2 2 65 65 LEU CD2 C 13 24.073 0.30 . 1 . . . . . . . . 5680 2 632 . 2 2 65 65 LEU HD21 H 1 0.871 0.02 . 1 . . . . . . . . 5680 2 633 . 2 2 65 65 LEU HD22 H 1 0.871 0.02 . 1 . . . . . . . . 5680 2 634 . 2 2 65 65 LEU HD23 H 1 0.871 0.02 . 1 . . . . . . . . 5680 2 635 . 2 2 65 65 LEU HG H 1 1.655 0.02 . 1 . . . . . . . . 5680 2 636 . 2 2 66 66 ASN H H 1 8.791 0.02 . 1 . . . . . . . . 5680 2 637 . 2 2 66 66 ASN N N 15 118.438 0.20 . 1 . . . . . . . . 5680 2 638 . 2 2 66 66 ASN CA C 13 56.563 0.30 . 1 . . . . . . . . 5680 2 639 . 2 2 66 66 ASN HA H 1 4.581 0.02 . 1 . . . . . . . . 5680 2 640 . 2 2 66 66 ASN CB C 13 38.020 0.30 . 1 . . . . . . . . 5680 2 641 . 2 2 66 66 ASN HB2 H 1 2.839 0.02 . 1 . . . . . . . . 5680 2 642 . 2 2 66 66 ASN HB3 H 1 2.747 0.02 . 1 . . . . . . . . 5680 2 643 . 2 2 67 67 ASN H H 1 8.735 0.02 . 1 . . . . . . . . 5680 2 644 . 2 2 67 67 ASN N N 15 119.692 0.20 . 1 . . . . . . . . 5680 2 645 . 2 2 67 67 ASN CA C 13 56.263 0.30 . 1 . . . . . . . . 5680 2 646 . 2 2 67 67 ASN HA H 1 4.512 0.02 . 1 . . . . . . . . 5680 2 647 . 2 2 67 67 ASN CB C 13 37.824 0.30 . 1 . . . . . . . . 5680 2 648 . 2 2 67 67 ASN HB2 H 1 2.898 0.02 . 1 . . . . . . . . 5680 2 649 . 2 2 67 67 ASN HB3 H 1 2.776 0.02 . 1 . . . . . . . . 5680 2 650 . 2 2 68 68 ALA H H 1 8.997 0.02 . 1 . . . . . . . . 5680 2 651 . 2 2 68 68 ALA N N 15 124.295 0.20 . 1 . . . . . . . . 5680 2 652 . 2 2 68 68 ALA CA C 13 55.013 0.30 . 1 . . . . . . . . 5680 2 653 . 2 2 68 68 ALA HA H 1 4.116 0.02 . 1 . . . . . . . . 5680 2 654 . 2 2 68 68 ALA CB C 13 18.760 0.30 . 1 . . . . . . . . 5680 2 655 . 2 2 68 68 ALA HB1 H 1 1.643 0.02 . 1 . . . . . . . . 5680 2 656 . 2 2 68 68 ALA HB2 H 1 1.643 0.02 . 1 . . . . . . . . 5680 2 657 . 2 2 68 68 ALA HB3 H 1 1.643 0.02 . 1 . . . . . . . . 5680 2 658 . 2 2 69 69 LEU H H 1 9.089 0.02 . 1 . . . . . . . . 5680 2 659 . 2 2 69 69 LEU N N 15 123.148 0.20 . 1 . . . . . . . . 5680 2 660 . 2 2 69 69 LEU CA C 13 58.451 0.30 . 1 . . . . . . . . 5680 2 661 . 2 2 69 69 LEU HA H 1 4.061 0.02 . 1 . . . . . . . . 5680 2 662 . 2 2 69 69 LEU CB C 13 41.887 0.30 . 1 . . . . . . . . 5680 2 663 . 2 2 69 69 LEU HB2 H 1 2.201 0.02 . 1 . . . . . . . . 5680 2 664 . 2 2 69 69 LEU HB3 H 1 1.907 0.02 . 1 . . . . . . . . 5680 2 665 . 2 2 69 69 LEU CG C 13 27.824 0.30 . 1 . . . . . . . . 5680 2 666 . 2 2 69 69 LEU CD1 C 13 26.573 0.30 . 1 . . . . . . . . 5680 2 667 . 2 2 69 69 LEU HD11 H 1 0.995 0.02 . 1 . . . . . . . . 5680 2 668 . 2 2 69 69 LEU HD12 H 1 0.995 0.02 . 1 . . . . . . . . 5680 2 669 . 2 2 69 69 LEU HD13 H 1 0.995 0.02 . 1 . . . . . . . . 5680 2 670 . 2 2 69 69 LEU CD2 C 13 26.573 0.30 . 1 . . . . . . . . 5680 2 671 . 2 2 69 69 LEU HD21 H 1 0.916 0.02 . 1 . . . . . . . . 5680 2 672 . 2 2 69 69 LEU HD22 H 1 0.916 0.02 . 1 . . . . . . . . 5680 2 673 . 2 2 69 69 LEU HD23 H 1 0.916 0.02 . 1 . . . . . . . . 5680 2 674 . 2 2 69 69 LEU HG H 1 1.872 0.02 . 1 . . . . . . . . 5680 2 675 . 2 2 70 70 GLN H H 1 8.470 0.02 . 1 . . . . . . . . 5680 2 676 . 2 2 70 70 GLN N N 15 119.594 0.20 . 1 . . . . . . . . 5680 2 677 . 2 2 70 70 GLN CA C 13 59.389 0.30 . 1 . . . . . . . . 5680 2 678 . 2 2 70 70 GLN HA H 1 4.066 0.02 . 1 . . . . . . . . 5680 2 679 . 2 2 70 70 GLN CB C 13 28.449 0.30 . 1 . . . . . . . . 5680 2 680 . 2 2 70 70 GLN HB2 H 1 2.231 0.02 . 2 . . . . . . . . 5680 2 681 . 2 2 70 70 GLN CG C 13 33.762 0.30 . 1 . . . . . . . . 5680 2 682 . 2 2 70 70 GLN HG2 H 1 2.622 0.02 . 1 . . . . . . . . 5680 2 683 . 2 2 70 70 GLN HG3 H 1 2.471 0.02 . 1 . . . . . . . . 5680 2 684 . 2 2 71 71 ASN H H 1 8.097 0.02 . 1 . . . . . . . . 5680 2 685 . 2 2 71 71 ASN N N 15 117.051 0.20 . 1 . . . . . . . . 5680 2 686 . 2 2 71 71 ASN CA C 13 56.563 0.30 . 1 . . . . . . . . 5680 2 687 . 2 2 71 71 ASN HA H 1 4.515 0.02 . 1 . . . . . . . . 5680 2 688 . 2 2 71 71 ASN CB C 13 39.375 0.30 . 1 . . . . . . . . 5680 2 689 . 2 2 71 71 ASN HB2 H 1 2.835 0.02 . 1 . . . . . . . . 5680 2 690 . 2 2 71 71 ASN HB3 H 1 2.759 0.02 . 1 . . . . . . . . 5680 2 691 . 2 2 72 72 LEU H H 1 8.206 0.02 . 1 . . . . . . . . 5680 2 692 . 2 2 72 72 LEU N N 15 123.293 0.20 . 1 . . . . . . . . 5680 2 693 . 2 2 72 72 LEU CA C 13 58.451 0.30 . 1 . . . . . . . . 5680 2 694 . 2 2 72 72 LEU HA H 1 3.978 0.02 . 1 . . . . . . . . 5680 2 695 . 2 2 72 72 LEU CB C 13 42.200 0.30 . 1 . . . . . . . . 5680 2 696 . 2 2 72 72 LEU HB2 H 1 2.135 0.02 . 1 . . . . . . . . 5680 2 697 . 2 2 72 72 LEU HB3 H 1 1.420 0.02 . 1 . . . . . . . . 5680 2 698 . 2 2 72 72 LEU CG C 13 26.886 0.30 . 1 . . . . . . . . 5680 2 699 . 2 2 72 72 LEU CD1 C 13 24.698 0.30 . 1 . . . . . . . . 5680 2 700 . 2 2 72 72 LEU HD11 H 1 0.799 0.02 . 1 . . . . . . . . 5680 2 701 . 2 2 72 72 LEU HD12 H 1 0.799 0.02 . 1 . . . . . . . . 5680 2 702 . 2 2 72 72 LEU HD13 H 1 0.799 0.02 . 1 . . . . . . . . 5680 2 703 . 2 2 72 72 LEU CD2 C 13 26.573 0.30 . 1 . . . . . . . . 5680 2 704 . 2 2 72 72 LEU HD21 H 1 0.430 0.02 . 1 . . . . . . . . 5680 2 705 . 2 2 72 72 LEU HD22 H 1 0.430 0.02 . 1 . . . . . . . . 5680 2 706 . 2 2 72 72 LEU HD23 H 1 0.430 0.02 . 1 . . . . . . . . 5680 2 707 . 2 2 72 72 LEU HG H 1 1.372 0.02 . 1 . . . . . . . . 5680 2 708 . 2 2 73 73 ALA H H 1 8.456 0.02 . 1 . . . . . . . . 5680 2 709 . 2 2 73 73 ALA N N 15 120.981 0.20 . 1 . . . . . . . . 5680 2 710 . 2 2 73 73 ALA CA C 13 55.951 0.30 . 1 . . . . . . . . 5680 2 711 . 2 2 73 73 ALA HA H 1 3.846 0.02 . 1 . . . . . . . . 5680 2 712 . 2 2 73 73 ALA CB C 13 17.823 0.30 . 1 . . . . . . . . 5680 2 713 . 2 2 73 73 ALA HB1 H 1 1.450 0.02 . 1 . . . . . . . . 5680 2 714 . 2 2 73 73 ALA HB2 H 1 1.450 0.02 . 1 . . . . . . . . 5680 2 715 . 2 2 73 73 ALA HB3 H 1 1.450 0.02 . 1 . . . . . . . . 5680 2 716 . 2 2 74 74 ARG H H 1 7.998 0.02 . 1 . . . . . . . . 5680 2 717 . 2 2 74 74 ARG N N 15 117.744 0.20 . 1 . . . . . . . . 5680 2 718 . 2 2 74 74 ARG CA C 13 59.389 0.30 . 1 . . . . . . . . 5680 2 719 . 2 2 74 74 ARG HA H 1 4.089 0.02 . 1 . . . . . . . . 5680 2 720 . 2 2 74 74 ARG CB C 13 30.324 0.30 . 1 . . . . . . . . 5680 2 721 . 2 2 74 74 ARG HB2 H 1 1.969 0.02 . 1 . . . . . . . . 5680 2 722 . 2 2 74 74 ARG HB3 H 1 1.912 0.02 . 1 . . . . . . . . 5680 2 723 . 2 2 74 74 ARG CG C 13 27.199 0.30 . 1 . . . . . . . . 5680 2 724 . 2 2 74 74 ARG HG2 H 1 1.726 0.02 . 1 . . . . . . . . 5680 2 725 . 2 2 74 74 ARG HG3 H 1 1.557 0.02 . 1 . . . . . . . . 5680 2 726 . 2 2 74 74 ARG CD C 13 43.137 0.30 . 1 . . . . . . . . 5680 2 727 . 2 2 74 74 ARG HD2 H 1 3.245 0.02 . 1 . . . . . . . . 5680 2 728 . 2 2 74 74 ARG HD3 H 1 3.187 0.02 . 1 . . . . . . . . 5680 2 729 . 2 2 75 75 THR H H 1 8.167 0.02 . 1 . . . . . . . . 5680 2 730 . 2 2 75 75 THR N N 15 113.583 0.20 . 1 . . . . . . . . 5680 2 731 . 2 2 75 75 THR CA C 13 68.765 0.30 . 1 . . . . . . . . 5680 2 732 . 2 2 75 75 THR HA H 1 3.950 0.02 . 1 . . . . . . . . 5680 2 733 . 2 2 75 75 THR CB C 13 66.889 0.30 . 1 . . . . . . . . 5680 2 734 . 2 2 75 75 THR HB H 1 3.960 0.02 . 1 . . . . . . . . 5680 2 735 . 2 2 75 75 THR CG2 C 13 21.261 0.30 . 1 . . . . . . . . 5680 2 736 . 2 2 75 75 THR HG21 H 1 1.250 0.02 . 1 . . . . . . . . 5680 2 737 . 2 2 75 75 THR HG22 H 1 1.250 0.02 . 1 . . . . . . . . 5680 2 738 . 2 2 75 75 THR HG23 H 1 1.250 0.02 . 1 . . . . . . . . 5680 2 739 . 2 2 76 76 ILE H H 1 8.277 0.02 . 1 . . . . . . . . 5680 2 740 . 2 2 76 76 ILE N N 15 122.460 0.20 . 1 . . . . . . . . 5680 2 741 . 2 2 76 76 ILE CA C 13 65.952 0.30 . 1 . . . . . . . . 5680 2 742 . 2 2 76 76 ILE HA H 1 4.290 0.02 . 1 . . . . . . . . 5680 2 743 . 2 2 76 76 ILE CB C 13 37.199 0.30 . 1 . . . . . . . . 5680 2 744 . 2 2 76 76 ILE HB H 1 1.941 0.02 . 1 . . . . . . . . 5680 2 745 . 2 2 76 76 ILE CG2 C 13 17.823 0.30 . 1 . . . . . . . . 5680 2 746 . 2 2 76 76 ILE HG21 H 1 0.974 0.02 . 1 . . . . . . . . 5680 2 747 . 2 2 76 76 ILE HG22 H 1 0.974 0.02 . 1 . . . . . . . . 5680 2 748 . 2 2 76 76 ILE HG23 H 1 0.974 0.02 . 1 . . . . . . . . 5680 2 749 . 2 2 76 76 ILE CG1 C 13 29.386 0.30 . 1 . . . . . . . . 5680 2 750 . 2 2 76 76 ILE HG12 H 1 1.262 0.02 . 1 . . . . . . . . 5680 2 751 . 2 2 76 76 ILE CD1 C 13 13.447 0.30 . 1 . . . . . . . . 5680 2 752 . 2 2 76 76 ILE HD11 H 1 0.771 0.02 . 1 . . . . . . . . 5680 2 753 . 2 2 76 76 ILE HD12 H 1 0.771 0.02 . 1 . . . . . . . . 5680 2 754 . 2 2 76 76 ILE HD13 H 1 0.771 0.02 . 1 . . . . . . . . 5680 2 755 . 2 2 77 77 SER H H 1 7.751 0.02 . 1 . . . . . . . . 5680 2 756 . 2 2 77 77 SER N N 15 114.969 0.20 . 1 . . . . . . . . 5680 2 757 . 2 2 77 77 SER CA C 13 62.201 0.30 . 1 . . . . . . . . 5680 2 758 . 2 2 77 77 SER HA H 1 4.162 0.02 . 1 . . . . . . . . 5680 2 759 . 2 2 77 77 SER CB C 13 62.514 0.30 . 1 . . . . . . . . 5680 2 760 . 2 2 77 77 SER HB2 H 1 4.028 0.02 . 1 . . . . . . . . 5680 2 761 . 2 2 77 77 SER HB3 H 1 4.034 0.02 . 1 . . . . . . . . 5680 2 762 . 2 2 78 78 GLU H H 1 8.339 0.02 . 1 . . . . . . . . 5680 2 763 . 2 2 78 78 GLU N N 15 120.750 0.20 . 1 . . . . . . . . 5680 2 764 . 2 2 78 78 GLU CA C 13 59.389 0.30 . 1 . . . . . . . . 5680 2 765 . 2 2 78 78 GLU HA H 1 3.989 0.02 . 1 . . . . . . . . 5680 2 766 . 2 2 78 78 GLU CB C 13 29.074 0.30 . 1 . . . . . . . . 5680 2 767 . 2 2 78 78 GLU HB2 H 1 1.981 0.02 . 2 . . . . . . . . 5680 2 768 . 2 2 78 78 GLU CG C 13 36.887 0.30 . 1 . . . . . . . . 5680 2 769 . 2 2 78 78 GLU HG2 H 1 2.243 0.02 . 1 . . . . . . . . 5680 2 770 . 2 2 78 78 GLU HG3 H 1 2.180 0.02 . 1 . . . . . . . . 5680 2 771 . 2 2 79 79 ALA H H 1 8.176 0.02 . 1 . . . . . . . . 5680 2 772 . 2 2 79 79 ALA N N 15 123.061 0.20 . 1 . . . . . . . . 5680 2 773 . 2 2 79 79 ALA CA C 13 54.701 0.30 . 1 . . . . . . . . 5680 2 774 . 2 2 79 79 ALA HA H 1 4.147 0.02 . 1 . . . . . . . . 5680 2 775 . 2 2 79 79 ALA CB C 13 17.510 0.30 . 1 . . . . . . . . 5680 2 776 . 2 2 79 79 ALA HB1 H 1 1.519 0.02 . 1 . . . . . . . . 5680 2 777 . 2 2 79 79 ALA HB2 H 1 1.519 0.02 . 1 . . . . . . . . 5680 2 778 . 2 2 79 79 ALA HB3 H 1 1.519 0.02 . 1 . . . . . . . . 5680 2 779 . 2 2 80 80 GLY H H 1 8.172 0.02 . 1 . . . . . . . . 5680 2 780 . 2 2 80 80 GLY N N 15 105.490 0.20 . 1 . . . . . . . . 5680 2 781 . 2 2 80 80 GLY CA C 13 47.000 0.30 . 1 . . . . . . . . 5680 2 782 . 2 2 80 80 GLY HA2 H 1 4.062 0.02 . 1 . . . . . . . . 5680 2 783 . 2 2 80 80 GLY HA3 H 1 3.881 0.02 . 1 . . . . . . . . 5680 2 784 . 2 2 81 81 GLN H H 1 7.812 0.02 . 1 . . . . . . . . 5680 2 785 . 2 2 81 81 GLN N N 15 120.057 0.20 . 1 . . . . . . . . 5680 2 786 . 2 2 81 81 GLN CA C 13 57.826 0.30 . 1 . . . . . . . . 5680 2 787 . 2 2 81 81 GLN HA H 1 4.157 0.02 . 1 . . . . . . . . 5680 2 788 . 2 2 81 81 GLN CB C 13 28.761 0.30 . 1 . . . . . . . . 5680 2 789 . 2 2 81 81 GLN HB2 H 1 2.219 0.02 . 1 . . . . . . . . 5680 2 790 . 2 2 81 81 GLN HB3 H 1 2.136 0.02 . 1 . . . . . . . . 5680 2 791 . 2 2 81 81 GLN CG C 13 34.074 0.30 . 1 . . . . . . . . 5680 2 792 . 2 2 81 81 GLN HG2 H 1 2.480 0.02 . 1 . . . . . . . . 5680 2 793 . 2 2 81 81 GLN HG3 H 1 2.411 0.02 . 1 . . . . . . . . 5680 2 794 . 2 2 82 82 ALA H H 1 7.970 0.02 . 1 . . . . . . . . 5680 2 795 . 2 2 82 82 ALA N N 15 122.483 0.20 . 1 . . . . . . . . 5680 2 796 . 2 2 82 82 ALA CA C 13 53.763 0.30 . 1 . . . . . . . . 5680 2 797 . 2 2 82 82 ALA HA H 1 4.176 0.02 . 1 . . . . . . . . 5680 2 798 . 2 2 82 82 ALA CB C 13 18.760 0.30 . 1 . . . . . . . . 5680 2 799 . 2 2 82 82 ALA HB1 H 1 1.361 0.02 . 1 . . . . . . . . 5680 2 800 . 2 2 82 82 ALA HB2 H 1 1.361 0.02 . 1 . . . . . . . . 5680 2 801 . 2 2 82 82 ALA HB3 H 1 1.361 0.02 . 1 . . . . . . . . 5680 2 802 . 2 2 83 83 MET H H 1 7.970 0.02 . 1 . . . . . . . . 5680 2 803 . 2 2 83 83 MET N N 15 117.589 0.20 . 1 . . . . . . . . 5680 2 804 . 2 2 83 83 MET CA C 13 56.889 0.30 . 1 . . . . . . . . 5680 2 805 . 2 2 83 83 MET HA H 1 4.344 0.02 . 1 . . . . . . . . 5680 2 806 . 2 2 83 83 MET CB C 13 33.137 0.30 . 1 . . . . . . . . 5680 2 807 . 2 2 83 83 MET HB2 H 1 2.142 0.02 . 1 . . . . . . . . 5680 2 808 . 2 2 83 83 MET HB3 H 1 2.096 0.02 . 1 . . . . . . . . 5680 2 809 . 2 2 83 83 MET CG C 13 32.199 0.30 . 1 . . . . . . . . 5680 2 810 . 2 2 83 83 MET HG2 H 1 2.739 0.02 . 1 . . . . . . . . 5680 2 811 . 2 2 83 83 MET HG3 H 1 2.618 0.02 . 1 . . . . . . . . 5680 2 812 . 2 2 84 84 ALA H H 1 7.836 0.02 . 1 . . . . . . . . 5680 2 813 . 2 2 84 84 ALA N N 15 122.947 0.20 . 1 . . . . . . . . 5680 2 814 . 2 2 84 84 ALA CA C 13 52.826 0.30 . 1 . . . . . . . . 5680 2 815 . 2 2 84 84 ALA HA H 1 4.361 0.02 . 1 . . . . . . . . 5680 2 816 . 2 2 84 84 ALA CB C 13 18.448 0.30 . 1 . . . . . . . . 5680 2 817 . 2 2 84 84 ALA HB1 H 1 1.459 0.02 . 1 . . . . . . . . 5680 2 818 . 2 2 84 84 ALA HB2 H 1 1.459 0.02 . 1 . . . . . . . . 5680 2 819 . 2 2 84 84 ALA HB3 H 1 1.459 0.02 . 1 . . . . . . . . 5680 2 820 . 2 2 85 85 SER H H 1 7.925 0.02 . 1 . . . . . . . . 5680 2 821 . 2 2 85 85 SER N N 15 113.696 0.20 . 1 . . . . . . . . 5680 2 822 . 2 2 85 85 SER CA C 13 58.764 0.30 . 1 . . . . . . . . 5680 2 823 . 2 2 85 85 SER HA H 1 4.441 0.02 . 1 . . . . . . . . 5680 2 824 . 2 2 85 85 SER CB C 13 63.764 0.30 . 1 . . . . . . . . 5680 2 825 . 2 2 85 85 SER HB2 H 1 3.979 0.02 . 1 . . . . . . . . 5680 2 826 . 2 2 85 85 SER HB3 H 1 3.927 0.02 . 1 . . . . . . . . 5680 2 827 . 2 2 86 86 THR H H 1 8.022 0.02 . 1 . . . . . . . . 5680 2 828 . 2 2 86 86 THR N N 15 115.196 0.20 . 1 . . . . . . . . 5680 2 829 . 2 2 86 86 THR CA C 13 62.514 0.30 . 1 . . . . . . . . 5680 2 830 . 2 2 86 86 THR HA H 1 4.384 0.02 . 1 . . . . . . . . 5680 2 831 . 2 2 86 86 THR CB C 13 70.015 0.30 . 1 . . . . . . . . 5680 2 832 . 2 2 86 86 THR HB H 1 4.240 0.02 . 1 . . . . . . . . 5680 2 833 . 2 2 86 86 THR CG2 C 13 20.948 0.30 . 1 . . . . . . . . 5680 2 834 . 2 2 86 86 THR HG21 H 1 1.233 0.02 . 1 . . . . . . . . 5680 2 835 . 2 2 86 86 THR HG22 H 1 1.233 0.02 . 1 . . . . . . . . 5680 2 836 . 2 2 86 86 THR HG23 H 1 1.233 0.02 . 1 . . . . . . . . 5680 2 837 . 2 2 87 87 GLU H H 1 8.256 0.02 . 1 . . . . . . . . 5680 2 838 . 2 2 87 87 GLU N N 15 122.251 0.20 . 1 . . . . . . . . 5680 2 839 . 2 2 87 87 GLU CA C 13 56.576 0.30 . 1 . . . . . . . . 5680 2 840 . 2 2 87 87 GLU HA H 1 3.759 0.02 . 1 . . . . . . . . 5680 2 841 . 2 2 87 87 GLU CB C 13 30.000 0.30 . 1 . . . . . . . . 5680 2 842 . 2 2 87 87 GLU HB2 H 1 1.972 0.02 . 1 . . . . . . . . 5680 2 843 . 2 2 87 87 GLU HB3 H 1 1.946 0.02 . 1 . . . . . . . . 5680 2 844 . 2 2 87 87 GLU CG C 13 31.574 0.30 . 1 . . . . . . . . 5680 2 845 . 2 2 87 87 GLU HG2 H 1 2.633 0.02 . 2 . . . . . . . . 5680 2 846 . 2 2 88 88 GLY H H 1 8.287 0.02 . 1 . . . . . . . . 5680 2 847 . 2 2 88 88 GLY N N 15 109.537 0.20 . 1 . . . . . . . . 5680 2 848 . 2 2 88 88 GLY CA C 13 45.325 0.30 . 1 . . . . . . . . 5680 2 849 . 2 2 88 88 GLY HA2 H 1 4.512 0.02 . 1 . . . . . . . . 5680 2 850 . 2 2 88 88 GLY HA3 H 1 3.901 0.02 . 1 . . . . . . . . 5680 2 851 . 2 2 89 89 ASN H H 1 8.217 0.02 . 1 . . . . . . . . 5680 2 852 . 2 2 89 89 ASN N N 15 118.665 0.20 . 1 . . . . . . . . 5680 2 853 . 2 2 89 89 ASN CA C 13 53.126 0.30 . 1 . . . . . . . . 5680 2 854 . 2 2 89 89 ASN HA H 1 4.769 0.02 . 1 . . . . . . . . 5680 2 855 . 2 2 89 89 ASN CB C 13 39.062 0.30 . 1 . . . . . . . . 5680 2 856 . 2 2 89 89 ASN HB2 H 1 2.832 0.02 . 1 . . . . . . . . 5680 2 857 . 2 2 89 89 ASN HB3 H 1 2.756 0.02 . 1 . . . . . . . . 5680 2 858 . 2 2 90 90 VAL H H 1 8.098 0.02 . 1 . . . . . . . . 5680 2 859 . 2 2 90 90 VAL N N 15 120.057 0.20 . 1 . . . . . . . . 5680 2 860 . 2 2 90 90 VAL CA C 13 62.514 0.30 . 1 . . . . . . . . 5680 2 861 . 2 2 90 90 VAL HA H 1 4.251 0.02 . 1 . . . . . . . . 5680 2 862 . 2 2 90 90 VAL CB C 13 32.824 0.30 . 1 . . . . . . . . 5680 2 863 . 2 2 90 90 VAL HB H 1 2.171 0.02 . 1 . . . . . . . . 5680 2 864 . 2 2 90 90 VAL CG1 C 13 21.573 0.30 . 1 . . . . . . . . 5680 2 865 . 2 2 90 90 VAL HG11 H 1 0.948 0.02 . 1 . . . . . . . . 5680 2 866 . 2 2 90 90 VAL HG12 H 1 0.948 0.02 . 1 . . . . . . . . 5680 2 867 . 2 2 90 90 VAL HG13 H 1 0.948 0.02 . 1 . . . . . . . . 5680 2 868 . 2 2 90 90 VAL CG2 C 13 20.635 0.30 . 1 . . . . . . . . 5680 2 869 . 2 2 90 90 VAL HG21 H 1 0.947 0.02 . 1 . . . . . . . . 5680 2 870 . 2 2 90 90 VAL HG22 H 1 0.947 0.02 . 1 . . . . . . . . 5680 2 871 . 2 2 90 90 VAL HG23 H 1 0.947 0.02 . 1 . . . . . . . . 5680 2 872 . 2 2 91 91 THR H H 1 8.144 0.02 . 1 . . . . . . . . 5680 2 873 . 2 2 91 91 THR N N 15 117.049 0.20 . 1 . . . . . . . . 5680 2 874 . 2 2 91 91 THR CA C 13 62.827 0.30 . 1 . . . . . . . . 5680 2 875 . 2 2 91 91 THR HA H 1 4.335 0.02 . 1 . . . . . . . . 5680 2 876 . 2 2 91 91 THR CB C 13 70.015 0.30 . 1 . . . . . . . . 5680 2 877 . 2 2 91 91 THR HB H 1 4.222 0.02 . 1 . . . . . . . . 5680 2 878 . 2 2 91 91 THR CG2 C 13 20.948 0.30 . 1 . . . . . . . . 5680 2 879 . 2 2 91 91 THR HG21 H 1 1.229 0.02 . 1 . . . . . . . . 5680 2 880 . 2 2 91 91 THR HG22 H 1 1.229 0.02 . 1 . . . . . . . . 5680 2 881 . 2 2 91 91 THR HG23 H 1 1.229 0.02 . 1 . . . . . . . . 5680 2 882 . 2 2 92 92 GLY H H 1 8.260 0.02 . 1 . . . . . . . . 5680 2 883 . 2 2 92 92 GLY N N 15 110.807 0.20 . 1 . . . . . . . . 5680 2 884 . 2 2 92 92 GLY CA C 13 45.300 0.30 . 1 . . . . . . . . 5680 2 885 . 2 2 92 92 GLY HA2 H 1 3.943 0.02 . 1 . . . . . . . . 5680 2 886 . 2 2 92 92 GLY HA3 H 1 3.923 0.02 . 1 . . . . . . . . 5680 2 887 . 2 2 93 93 MET H H 1 7.953 0.02 . 1 . . . . . . . . 5680 2 888 . 2 2 93 93 MET N N 15 119.245 0.20 . 1 . . . . . . . . 5680 2 889 . 2 2 93 93 MET CA C 13 55.638 0.30 . 1 . . . . . . . . 5680 2 890 . 2 2 93 93 MET HA H 1 4.468 0.02 . 1 . . . . . . . . 5680 2 891 . 2 2 93 93 MET CB C 13 33.137 0.30 . 1 . . . . . . . . 5680 2 892 . 2 2 93 93 MET HB2 H 1 1.845 0.02 . 2 . . . . . . . . 5680 2 893 . 2 2 93 93 MET CG C 13 32.199 0.30 . 1 . . . . . . . . 5680 2 894 . 2 2 93 93 MET HG2 H 1 2.373 0.02 . 1 . . . . . . . . 5680 2 895 . 2 2 93 93 MET HG3 H 1 2.309 0.02 . 1 . . . . . . . . 5680 2 896 . 2 2 94 94 PHE H H 1 8.135 0.02 . 1 . . . . . . . . 5680 2 897 . 2 2 94 94 PHE N N 15 120.514 0.20 . 1 . . . . . . . . 5680 2 898 . 2 2 94 94 PHE CA C 13 57.514 0.30 . 1 . . . . . . . . 5680 2 899 . 2 2 94 94 PHE HA H 1 4.671 0.02 . 1 . . . . . . . . 5680 2 900 . 2 2 94 94 PHE CB C 13 39.700 0.30 . 1 . . . . . . . . 5680 2 901 . 2 2 94 94 PHE HB2 H 1 3.242 0.02 . 1 . . . . . . . . 5680 2 902 . 2 2 94 94 PHE HB3 H 1 2.948 0.02 . 1 . . . . . . . . 5680 2 903 . 2 2 94 94 PHE HD1 H 1 7.302 0.02 . 2 . . . . . . . . 5680 2 904 . 2 2 94 94 PHE HE1 H 1 7.217 0.02 . 2 . . . . . . . . 5680 2 905 . 2 2 95 95 ALA H H 1 7.732 0.02 . 1 . . . . . . . . 5680 2 906 . 2 2 95 95 ALA N N 15 130.846 0.20 . 1 . . . . . . . . 5680 2 907 . 2 2 95 95 ALA CA C 13 53.763 0.30 . 1 . . . . . . . . 5680 2 908 . 2 2 95 95 ALA HA H 1 4.124 0.02 . 1 . . . . . . . . 5680 2 909 . 2 2 95 95 ALA CB C 13 20.323 0.30 . 1 . . . . . . . . 5680 2 910 . 2 2 95 95 ALA HB1 H 1 1.322 0.02 . 1 . . . . . . . . 5680 2 911 . 2 2 95 95 ALA HB2 H 1 1.322 0.02 . 1 . . . . . . . . 5680 2 912 . 2 2 95 95 ALA HB3 H 1 1.322 0.02 . 1 . . . . . . . . 5680 2 stop_ save_