data_18169 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18169 _Entry.Title ; Solution structure of Ca-bound S100A4 in complex with non-muscle myosin IIA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-30 _Entry.Accession_date 2011-12-30 _Entry.Last_release_date 2012-04-23 _Entry.Original_release_date 2012-04-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Igor Barsukov . L. . 18169 2 Paul Elliott . R. . 18169 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18169 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'all alpha' . 18169 'calcium binding' . 18169 complex . 18169 dimer . 18169 EF-hand . 18169 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 18169 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 914 18169 '15N chemical shifts' 204 18169 '1H chemical shifts' 1658 18169 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 . . 2012-04-23 2011-12-30 original author . 18169 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LNK 'BMRB Entry Tracking System' 18169 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18169 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22483112 _Citation.Full_citation . _Citation.Title 'Asymmetric Mode of Ca(2+)-S100A4 Interaction with Nonmuscle Myosin IIA Generates Nanomolar Affinity Required for Filament Remodeling' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 654 _Citation.Page_last 666 _Citation.Year 2012 _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 Paul Elliott . R. . 18169 1 2 Andrew Irvine . F. . 18169 1 3 Hyun Jung . Suk . 18169 1 4 Kaeko Tozawa . . . 18169 1 5 Martyna Pastok . W. . 18169 1 6 Remigio Picone . . . 18169 1 7 Sandip Badyal . K. . 18169 1 8 Jaswir Basran . . . 18169 1 9 Philip Rudland . S. . 18169 1 10 Roger Barraclough . . . 18169 1 11 Lu-Yun Lian . . . 18169 1 12 Clive Bagshaw . R. . 18169 1 13 Marina Kriajevska . . . 18169 1 14 Igor Barsukov . L. . 18169 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18169 _Assembly.ID 1 _Assembly.Name 'Ca-bound S100A4 in complex with non-muscle myosin IIA' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 C . yes native no no . . . 18169 1 2 entity_2_1 2 $entity_2 B . yes native no no . . . 18169 1 3 entity_2_2 2 $entity_2 A . yes native no no . . . 18169 1 4 'Calcium ion' 3 $CA D . no native no no . . . 18169 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 18169 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QRELEDATETADAMNREVSS LKNKLRRGDLPFVVPRRMA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 39 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4509.169 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2LNK . "Solution Structure Of Ca-Bound S100a4 In Complex With Non-Muscle Myosin Iia" . . . . . 100.00 39 100.00 100.00 5.99e-18 . . . . 18169 1 2 no PDB 3ZWH . "Ca2+-bound S100a4 C3s, C81s, C86s And F45w Mutant Complexed With Myosin Iia" . . . . . 100.00 45 100.00 100.00 5.58e-18 . . . . 18169 1 3 no PDB 4CFQ . "Ca-bound Truncated (delta13c) And C3s, C81s And C86s Mutated S100a4 Complexed With Non-muscle Myosin Iia" . . . . . 100.00 45 100.00 100.00 5.58e-18 . . . . 18169 1 4 no PDB 4CFR . "Ca-bound S100a4 C3s, C81s, C86s And F45w Mutant Complexed With Non-muscle Myosin Iia" . . . . . 100.00 45 100.00 100.00 5.58e-18 . . . . 18169 1 5 no DBJ BAC85130 . "FLJ00279 protein [Homo sapiens]" . . . . . 100.00 563 100.00 100.00 1.79e-16 . . . . 18169 1 6 no DBJ BAD52439 . "non-muscle myosin heavy polypeptide 9 [Homo sapiens]" . . . . . 100.00 1960 100.00 100.00 3.35e-16 . . . . 18169 1 7 no DBJ BAG06729 . "MYH9 variant protein [Homo sapiens]" . . . . . 100.00 1960 100.00 100.00 3.35e-16 . . . . 18169 1 8 no DBJ BAG10214 . "myosin-9 [synthetic construct]" . . . . . 100.00 1960 100.00 100.00 3.35e-16 . . . . 18169 1 9 no EMBL CAG30412 . "MYH9 [Homo sapiens]" . . . . . 100.00 1960 100.00 100.00 3.35e-16 . . . . 18169 1 10 no EMBL CAJ31056 . "myosin, heavy polypeptide 9, non-muscle [Canis lupus familiaris]" . . . . . 100.00 1960 97.44 100.00 1.59e-15 . . . . 18169 1 11 no EMBL CAK54557 . "MYH9 [synthetic construct]" . . . . . 100.00 1960 100.00 100.00 3.35e-16 . . . . 18169 1 12 no EMBL CAK54856 . "MYH9 [synthetic construct]" . . . . . 100.00 1960 100.00 100.00 3.35e-16 . . . . 18169 1 13 no GB AAA36349 . "nonmuscle myosin heavy chain (NMHC), partial [Homo sapiens]" . . . . . 100.00 1247 100.00 100.00 7.95e-17 . . . . 18169 1 14 no GB AAC19403 . "non-muscle myosin heavy chain [Bos taurus]" . . . . . 100.00 625 100.00 100.00 3.98e-17 . . . . 18169 1 15 no GB AAI50170 . "Myosin, heavy chain 9, non-muscle [synthetic construct]" . . . . . 100.00 1960 100.00 100.00 3.35e-16 . . . . 18169 1 16 no GB AAI50171 . "Myosin, heavy chain 9, non-muscle, partial [synthetic construct]" . . . . . 100.00 1960 100.00 100.00 3.35e-16 . . . . 18169 1 17 no GB ADK09905 . "non-muscle myosin IIA [Chlorocebus aethiops]" . . . . . 100.00 317 97.44 100.00 4.37e-17 . . . . 18169 1 18 no REF NP_001104237 . "myosin-9 [Canis lupus familiaris]" . . . . . 100.00 1960 97.44 100.00 1.59e-15 . . . . 18169 1 19 no REF NP_001179691 . "myosin-9 [Bos taurus]" . . . . . 100.00 1965 100.00 100.00 3.49e-16 . . . . 18169 1 20 no REF NP_002464 . "myosin-9 [Homo sapiens]" . . . . . 100.00 1960 100.00 100.00 3.35e-16 . . . . 18169 1 21 no REF XP_001083662 . "PREDICTED: myosin-9-like [Macaca mulatta]" . . . . . 100.00 1879 97.44 100.00 1.39e-15 . . . . 18169 1 22 no REF XP_001376000 . "PREDICTED: myosin-9 [Monodelphis domestica]" . . . . . 100.00 1960 97.44 100.00 1.61e-15 . . . . 18169 1 23 no SP P35579 . "RecName: Full=Myosin-9; AltName: Full=Cellular myosin heavy chain, type A; AltName: Full=Myosin heavy chain 9; AltName: Full=My" . . . . . 100.00 1960 100.00 100.00 3.35e-16 . . . . 18169 1 24 no SP Q258K2 . "RecName: Full=Myosin-9; AltName: Full=Myosin heavy chain 9; AltName: Full=Myosin heavy chain, non-muscle IIa; AltName: Full=Non" . . . . . 100.00 1960 97.44 100.00 1.59e-15 . . . . 18169 1 25 no TPG DAA29476 . "TPA: myosin, heavy chain 9, non-muscle [Bos taurus]" . . . . . 100.00 1965 100.00 100.00 3.49e-16 . . . . 18169 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 1897 GLN . 18169 1 2 1898 ARG . 18169 1 3 1899 GLU . 18169 1 4 1900 LEU . 18169 1 5 1901 GLU . 18169 1 6 1902 ASP . 18169 1 7 1903 ALA . 18169 1 8 1904 THR . 18169 1 9 1905 GLU . 18169 1 10 1906 THR . 18169 1 11 1907 ALA . 18169 1 12 1908 ASP . 18169 1 13 1909 ALA . 18169 1 14 1910 MET . 18169 1 15 1911 ASN . 18169 1 16 1912 ARG . 18169 1 17 1913 GLU . 18169 1 18 1914 VAL . 18169 1 19 1915 SER . 18169 1 20 1916 SER . 18169 1 21 1917 LEU . 18169 1 22 1918 LYS . 18169 1 23 1919 ASN . 18169 1 24 1920 LYS . 18169 1 25 1921 LEU . 18169 1 26 1922 ARG . 18169 1 27 1923 ARG . 18169 1 28 1924 GLY . 18169 1 29 1925 ASP . 18169 1 30 1926 LEU . 18169 1 31 1927 PRO . 18169 1 32 1928 PHE . 18169 1 33 1929 VAL . 18169 1 34 1930 VAL . 18169 1 35 1931 PRO . 18169 1 36 1932 ARG . 18169 1 37 1933 ARG . 18169 1 38 1934 MET . 18169 1 39 1935 ALA . 18169 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 . GLN 1 1 18169 1 . ARG 2 2 18169 1 . GLU 3 3 18169 1 . LEU 4 4 18169 1 . GLU 5 5 18169 1 . ASP 6 6 18169 1 . ALA 7 7 18169 1 . THR 8 8 18169 1 . GLU 9 9 18169 1 . THR 10 10 18169 1 . ALA 11 11 18169 1 . ASP 12 12 18169 1 . ALA 13 13 18169 1 . MET 14 14 18169 1 . ASN 15 15 18169 1 . ARG 16 16 18169 1 . GLU 17 17 18169 1 . VAL 18 18 18169 1 . SER 19 19 18169 1 . SER 20 20 18169 1 . LEU 21 21 18169 1 . LYS 22 22 18169 1 . ASN 23 23 18169 1 . LYS 24 24 18169 1 . LEU 25 25 18169 1 . ARG 26 26 18169 1 . ARG 27 27 18169 1 . GLY 28 28 18169 1 . ASP 29 29 18169 1 . LEU 30 30 18169 1 . PRO 31 31 18169 1 . PHE 32 32 18169 1 . VAL 33 33 18169 1 . VAL 34 34 18169 1 . PRO 35 35 18169 1 . ARG 36 36 18169 1 . ARG 37 37 18169 1 . MET 38 38 18169 1 . ALA 39 39 18169 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 18169 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MACPLEKALDVMVSTFHKYS GKEGDKFKLNKSELKELLTR ELPSFLGKRTDEAAFQKLMS NLDSNRDNEVDFQEYCVFLS CIAMMCNEFFEGFPDKQPRK K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11745.619 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 BMRB 4892 . S100A4 . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 18169 2 2 no PDB 1M31 . "Three-Dimensional Solution Structure Of Apo-Mts1" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 18169 2 3 no PDB 2LNK . "Solution Structure Of Ca-Bound S100a4 In Complex With Non-Muscle Myosin Iia" . . . . . 100.00 113 100.00 100.00 5.24e-67 . . . . 18169 2 4 no PDB 2Q91 . "Structure Of The Ca2+-Bound Activated Form Of The S100a4 Metastasis Factor" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 18169 2 5 no PDB 3C1V . "The 1.5 A Crystal Structure Of Ca2+-Bound S100a4" . . . . . 100.00 113 100.00 100.00 5.24e-67 . . . . 18169 2 6 no PDB 3CGA . "Crystal Structure Of Metastasis-Associated Protein S100a4 In The Active, Calcium-Bound Form" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 18169 2 7 no PDB 3KO0 . "Structure Of The Tfp-Ca2+-Bound Activated Form Of The S100a4 Metastasis Factor" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 18169 2 8 no PDB 3M0W . "Structure Of S100a4 With Pcp" . . . . . 99.01 100 100.00 100.00 9.36e-66 . . . . 18169 2 9 no PDB 4ETO . "Structure Of S100a4 In Complex With Non-Muscle Myosin-Iia Peptide" . . . . . 92.08 93 100.00 100.00 3.98e-60 . . . . 18169 2 10 no PDB 4HSZ . "Structure Of Truncated (delta8c) S100a4" . . . . . 92.08 93 100.00 100.00 3.98e-60 . . . . 18169 2 11 no DBJ BAF84772 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 18169 2 12 no DBJ BAG74210 . "S100 calcium binding protein A4 [synthetic construct]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 18169 2 13 no EMBL CAA79474 . "CAPL [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 18169 2 14 no EMBL CAA83880 . "mts1 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 18169 2 15 no EMBL CAG29341 . "S100A4 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 18169 2 16 no GB AAA51920 . "CAPL [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 18169 2 17 no GB AAH00838 . "S100 calcium binding protein A4 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 18169 2 18 no GB AAH16300 . "S100 calcium binding protein A4 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 18169 2 19 no GB AAV74399 . "leukemia multidrug resistance associated protein [Homo sapiens]" . . . . . 80.20 91 97.53 97.53 2.39e-48 . . . . 18169 2 20 no GB AAX29777 . "S100 calcium binding protein A4 [synthetic construct]" . . . . . 100.00 102 100.00 100.00 1.32e-66 . . . . 18169 2 21 no REF NP_001239534 . "uncharacterized protein LOC100156358 [Sus scrofa]" . . . . . 100.00 101 99.01 99.01 2.78e-65 . . . . 18169 2 22 no REF NP_002952 . "protein S100-A4 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 18169 2 23 no REF NP_062427 . "protein S100-A4 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 18169 2 24 no REF XP_001110635 . "PREDICTED: protein S100-A4 isoform 1 [Macaca mulatta]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 18169 2 25 no REF XP_001110673 . "PREDICTED: protein S100-A4 isoform 2 [Macaca mulatta]" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 18169 2 26 no SP P26447 . "RecName: Full=Protein S100-A4; AltName: Full=Calvasculin; AltName: Full=Metastasin; AltName: Full=Placental calcium-binding pro" . . . . . 100.00 101 100.00 100.00 1.35e-66 . . . . 18169 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 . 18169 2 2 . ALA . 18169 2 3 . CYS . 18169 2 4 . PRO . 18169 2 5 . LEU . 18169 2 6 . GLU . 18169 2 7 . LYS . 18169 2 8 . ALA . 18169 2 9 . LEU . 18169 2 10 . ASP . 18169 2 11 . VAL . 18169 2 12 . MET . 18169 2 13 . VAL . 18169 2 14 . SER . 18169 2 15 . THR . 18169 2 16 . PHE . 18169 2 17 . HIS . 18169 2 18 . LYS . 18169 2 19 . TYR . 18169 2 20 . SER . 18169 2 21 . GLY . 18169 2 22 . LYS . 18169 2 23 . GLU . 18169 2 24 . GLY . 18169 2 25 . ASP . 18169 2 26 . LYS . 18169 2 27 . PHE . 18169 2 28 . LYS . 18169 2 29 . LEU . 18169 2 30 . ASN . 18169 2 31 . LYS . 18169 2 32 . SER . 18169 2 33 . GLU . 18169 2 34 . LEU . 18169 2 35 . LYS . 18169 2 36 . GLU . 18169 2 37 . LEU . 18169 2 38 . LEU . 18169 2 39 . THR . 18169 2 40 . ARG . 18169 2 41 . GLU . 18169 2 42 . LEU . 18169 2 43 . PRO . 18169 2 44 . SER . 18169 2 45 . PHE . 18169 2 46 . LEU . 18169 2 47 . GLY . 18169 2 48 . LYS . 18169 2 49 . ARG . 18169 2 50 . THR . 18169 2 51 . ASP . 18169 2 52 . GLU . 18169 2 53 . ALA . 18169 2 54 . ALA . 18169 2 55 . PHE . 18169 2 56 . GLN . 18169 2 57 . LYS . 18169 2 58 . LEU . 18169 2 59 . MET . 18169 2 60 . SER . 18169 2 61 . ASN . 18169 2 62 . LEU . 18169 2 63 . ASP . 18169 2 64 . SER . 18169 2 65 . ASN . 18169 2 66 . ARG . 18169 2 67 . ASP . 18169 2 68 . ASN . 18169 2 69 . GLU . 18169 2 70 . VAL . 18169 2 71 . ASP . 18169 2 72 . PHE . 18169 2 73 . GLN . 18169 2 74 . GLU . 18169 2 75 . TYR . 18169 2 76 . CYS . 18169 2 77 . VAL . 18169 2 78 . PHE . 18169 2 79 . LEU . 18169 2 80 . SER . 18169 2 81 . CYS . 18169 2 82 . ILE . 18169 2 83 . ALA . 18169 2 84 . MET . 18169 2 85 . MET . 18169 2 86 . CYS . 18169 2 87 . ASN . 18169 2 88 . GLU . 18169 2 89 . PHE . 18169 2 90 . PHE . 18169 2 91 . GLU . 18169 2 92 . GLY . 18169 2 93 . PHE . 18169 2 94 . PRO . 18169 2 95 . ASP . 18169 2 96 . LYS . 18169 2 97 . GLN . 18169 2 98 . PRO . 18169 2 99 . ARG . 18169 2 100 . LYS . 18169 2 101 . LYS . 18169 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 18169 2 . ALA 2 2 18169 2 . CYS 3 3 18169 2 . PRO 4 4 18169 2 . LEU 5 5 18169 2 . GLU 6 6 18169 2 . LYS 7 7 18169 2 . ALA 8 8 18169 2 . LEU 9 9 18169 2 . ASP 10 10 18169 2 . VAL 11 11 18169 2 . MET 12 12 18169 2 . VAL 13 13 18169 2 . SER 14 14 18169 2 . THR 15 15 18169 2 . PHE 16 16 18169 2 . HIS 17 17 18169 2 . LYS 18 18 18169 2 . TYR 19 19 18169 2 . SER 20 20 18169 2 . GLY 21 21 18169 2 . LYS 22 22 18169 2 . GLU 23 23 18169 2 . GLY 24 24 18169 2 . ASP 25 25 18169 2 . LYS 26 26 18169 2 . PHE 27 27 18169 2 . LYS 28 28 18169 2 . LEU 29 29 18169 2 . ASN 30 30 18169 2 . LYS 31 31 18169 2 . SER 32 32 18169 2 . GLU 33 33 18169 2 . LEU 34 34 18169 2 . LYS 35 35 18169 2 . GLU 36 36 18169 2 . LEU 37 37 18169 2 . LEU 38 38 18169 2 . THR 39 39 18169 2 . ARG 40 40 18169 2 . GLU 41 41 18169 2 . LEU 42 42 18169 2 . PRO 43 43 18169 2 . SER 44 44 18169 2 . PHE 45 45 18169 2 . LEU 46 46 18169 2 . GLY 47 47 18169 2 . LYS 48 48 18169 2 . ARG 49 49 18169 2 . THR 50 50 18169 2 . ASP 51 51 18169 2 . GLU 52 52 18169 2 . ALA 53 53 18169 2 . ALA 54 54 18169 2 . PHE 55 55 18169 2 . GLN 56 56 18169 2 . LYS 57 57 18169 2 . LEU 58 58 18169 2 . MET 59 59 18169 2 . SER 60 60 18169 2 . ASN 61 61 18169 2 . LEU 62 62 18169 2 . ASP 63 63 18169 2 . SER 64 64 18169 2 . ASN 65 65 18169 2 . ARG 66 66 18169 2 . ASP 67 67 18169 2 . ASN 68 68 18169 2 . GLU 69 69 18169 2 . VAL 70 70 18169 2 . ASP 71 71 18169 2 . PHE 72 72 18169 2 . GLN 73 73 18169 2 . GLU 74 74 18169 2 . TYR 75 75 18169 2 . CYS 76 76 18169 2 . VAL 77 77 18169 2 . PHE 78 78 18169 2 . LEU 79 79 18169 2 . SER 80 80 18169 2 . CYS 81 81 18169 2 . ILE 82 82 18169 2 . ALA 83 83 18169 2 . MET 84 84 18169 2 . MET 85 85 18169 2 . CYS 86 86 18169 2 . ASN 87 87 18169 2 . GLU 88 88 18169 2 . PHE 89 89 18169 2 . PHE 90 90 18169 2 . GLU 91 91 18169 2 . GLY 92 92 18169 2 . PHE 93 93 18169 2 . PRO 94 94 18169 2 . ASP 95 95 18169 2 . LYS 96 96 18169 2 . GLN 97 97 18169 2 . PRO 98 98 18169 2 . ARG 99 99 18169 2 . LYS 100 100 18169 2 . LYS 101 101 18169 2 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 18169 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . CA . 18169 3 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 18169 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18169 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18169 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 18169 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18169 1 2 2 $entity_2 . 'recombinant technology' . . . . . . BL21(de3) . . . . . . . . . . . . . . . . . . . . . . 18169 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 18169 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 12 13:20:01 2012 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 18169 CA [Ca++] SMILES CACTVS 3.341 18169 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 18169 CA [Ca+2] SMILES ACDLabs 10.04 18169 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 18169 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18169 CA InChI=1S/Ca/q+2 InChI InChI 1.03 18169 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 18169 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18169 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18169 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18169 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . . 0.5 . . mM . . . . 18169 1 2 entity_2 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 1 . . mM . . . . 18169 1 3 'CALCIUM ION' 'natural abundance' . . 3 $CA . . 5 . . mM . . . . 18169 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 18169 1 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 18169 1 6 TCEP 'natural abundance' . . . . . . 4 . . mM . . . . 18169 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18169 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18169 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18169 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 18169 1 pH 6.1 . pH 18169 1 pressure 1 . atm 18169 1 temperature 313 . K 18169 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysi _Software.Sf_category software _Software.Sf_framecode CCPN_Analysi _Software.Entry_ID 18169 _Software.ID 1 _Software.Name CCPN_Analysi _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18169 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18169 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18169 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18169 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18169 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18169 _Software.ID 3 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18169 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18169 3 'structure solution' 18169 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18169 _Software.ID 4 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18169 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18169 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 18169 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 18169 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18169 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18169 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18169 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18169 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18169 1 2 spectrometer_2 Bruker Avance . 800 . . . 18169 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 18169 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18169 1 2 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18169 1 3 '2D 1H-1H filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18169 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18169 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18169 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18169 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18169 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18169 1 9 '2D 1H-1H filtered TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18169 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18169 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18169 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 18169 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18169 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_S100A4_chain_A _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode S100A4_chain_A _Assigned_chem_shift_list.Entry_ID 18169 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '3D CBCA(CO)NH' . . . 18169 1 6 '3D HNCACB' . . . 18169 1 7 '3D HCCH-TOCSY' . . . 18169 1 8 '3D HNCO' . . . 18169 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 . 2 2 2 2 ALA H H 1 8.122 0.003 . 1 . . . A 2 ALA H . 18169 1 2 . 2 2 2 2 ALA HA H 1 4.473 0.002 . 1 . . . A 2 ALA HA . 18169 1 3 . 2 2 2 2 ALA HB1 H 1 1.483 0.004 . 1 . . . A 2 ALA HB1 . 18169 1 4 . 2 2 2 2 ALA HB2 H 1 1.483 0.004 . 1 . . . A 2 ALA HB2 . 18169 1 5 . 2 2 2 2 ALA HB3 H 1 1.483 0.004 . 1 . . . A 2 ALA HB3 . 18169 1 6 . 2 2 2 2 ALA C C 13 177.923 0.004 . 1 . . . A 2 ALA C . 18169 1 7 . 2 2 2 2 ALA CA C 13 52.796 0.007 . 1 . . . A 2 ALA CA . 18169 1 8 . 2 2 2 2 ALA CB C 13 20.183 0.001 . 1 . . . A 2 ALA CB . 18169 1 9 . 2 2 2 2 ALA N N 15 123.083 0.012 . 1 . . . A 2 ALA N . 18169 1 10 . 2 2 3 3 CYS H H 1 8.688 0.006 . 1 . . . A 3 CYS H . 18169 1 11 . 2 2 3 3 CYS HA H 1 4.926 0.003 . 1 . . . A 3 CYS HA . 18169 1 12 . 2 2 3 3 CYS HB2 H 1 3.662 0.003 . 2 . . . A 3 CYS HB2 . 18169 1 13 . 2 2 3 3 CYS HB3 H 1 2.954 0.005 . 2 . . . A 3 CYS HB3 . 18169 1 14 . 2 2 3 3 CYS C C 13 174.200 0.004 . 1 . . . A 3 CYS C . 18169 1 15 . 2 2 3 3 CYS CA C 13 58.421 0.016 . 1 . . . A 3 CYS CA . 18169 1 16 . 2 2 3 3 CYS CB C 13 27.342 0.037 . 1 . . . A 3 CYS CB . 18169 1 17 . 2 2 3 3 CYS N N 15 120.212 0.021 . 1 . . . A 3 CYS N . 18169 1 18 . 2 2 4 4 PRO HA H 1 4.334 0.004 . 1 . . . A 4 PRO HA . 18169 1 19 . 2 2 4 4 PRO HB2 H 1 2.550 0.004 . 2 . . . A 4 PRO HB2 . 18169 1 20 . 2 2 4 4 PRO HB3 H 1 2.187 0.001 . 2 . . . A 4 PRO HB3 . 18169 1 21 . 2 2 4 4 PRO HG2 H 1 2.375 0.005 . 2 . . . A 4 PRO HG2 . 18169 1 22 . 2 2 4 4 PRO HG3 H 1 2.196 0.002 . 2 . . . A 4 PRO HG3 . 18169 1 23 . 2 2 4 4 PRO HD2 H 1 4.078 0.005 . 2 . . . A 4 PRO HD2 . 18169 1 24 . 2 2 4 4 PRO HD3 H 1 4.078 0.005 . 2 . . . A 4 PRO HD3 . 18169 1 25 . 2 2 4 4 PRO C C 13 179.352 0.004 . 1 . . . A 4 PRO C . 18169 1 26 . 2 2 4 4 PRO CA C 13 66.729 0.056 . 1 . . . A 4 PRO CA . 18169 1 27 . 2 2 4 4 PRO CB C 13 32.840 0.026 . 1 . . . A 4 PRO CB . 18169 1 28 . 2 2 4 4 PRO CG C 13 27.931 0.012 . 1 . . . A 4 PRO CG . 18169 1 29 . 2 2 4 4 PRO CD C 13 50.916 0.004 . 1 . . . A 4 PRO CD . 18169 1 30 . 2 2 5 5 LEU H H 1 10.744 0.005 . 1 . . . A 5 LEU H . 18169 1 31 . 2 2 5 5 LEU HA H 1 4.289 0.002 . 1 . . . A 5 LEU HA . 18169 1 32 . 2 2 5 5 LEU HB2 H 1 2.157 0.004 . 2 . . . A 5 LEU HB2 . 18169 1 33 . 2 2 5 5 LEU HB3 H 1 1.622 0.006 . 2 . . . A 5 LEU HB3 . 18169 1 34 . 2 2 5 5 LEU HG H 1 1.812 0.002 . 1 . . . A 5 LEU HG . 18169 1 35 . 2 2 5 5 LEU HD11 H 1 1.043 0.001 . 2 . . . A 5 LEU HD11 . 18169 1 36 . 2 2 5 5 LEU HD12 H 1 1.043 0.001 . 2 . . . A 5 LEU HD12 . 18169 1 37 . 2 2 5 5 LEU HD13 H 1 1.043 0.001 . 2 . . . A 5 LEU HD13 . 18169 1 38 . 2 2 5 5 LEU HD21 H 1 1.058 0.004 . 2 . . . A 5 LEU HD21 . 18169 1 39 . 2 2 5 5 LEU HD22 H 1 1.058 0.004 . 2 . . . A 5 LEU HD22 . 18169 1 40 . 2 2 5 5 LEU HD23 H 1 1.058 0.004 . 2 . . . A 5 LEU HD23 . 18169 1 41 . 2 2 5 5 LEU C C 13 178.683 0.004 . 1 . . . A 5 LEU C . 18169 1 42 . 2 2 5 5 LEU CA C 13 57.321 0.023 . 1 . . . A 5 LEU CA . 18169 1 43 . 2 2 5 5 LEU CB C 13 42.553 0.040 . 1 . . . A 5 LEU CB . 18169 1 44 . 2 2 5 5 LEU CG C 13 27.251 0.003 . 1 . . . A 5 LEU CG . 18169 1 45 . 2 2 5 5 LEU CD1 C 13 25.494 0.022 . 2 . . . A 5 LEU CD1 . 18169 1 46 . 2 2 5 5 LEU CD2 C 13 23.164 0.019 . 2 . . . A 5 LEU CD2 . 18169 1 47 . 2 2 5 5 LEU N N 15 122.105 0.017 . 1 . . . A 5 LEU N . 18169 1 48 . 2 2 6 6 GLU H H 1 7.100 0.005 . 1 . . . A 6 GLU H . 18169 1 49 . 2 2 6 6 GLU HA H 1 4.064 0.002 . 1 . . . A 6 GLU HA . 18169 1 50 . 2 2 6 6 GLU HB2 H 1 2.207 0.004 . 2 . . . A 6 GLU HB2 . 18169 1 51 . 2 2 6 6 GLU HB3 H 1 2.207 0.004 . 2 . . . A 6 GLU HB3 . 18169 1 52 . 2 2 6 6 GLU C C 13 179.719 0.004 . 1 . . . A 6 GLU C . 18169 1 53 . 2 2 6 6 GLU CA C 13 60.268 0.061 . 1 . . . A 6 GLU CA . 18169 1 54 . 2 2 6 6 GLU CB C 13 29.366 0.004 . 1 . . . A 6 GLU CB . 18169 1 55 . 2 2 6 6 GLU N N 15 116.903 0.036 . 1 . . . A 6 GLU N . 18169 1 56 . 2 2 7 7 LYS H H 1 8.057 0.002 . 1 . . . A 7 LYS H . 18169 1 57 . 2 2 7 7 LYS HA H 1 4.279 0.001 . 1 . . . A 7 LYS HA . 18169 1 58 . 2 2 7 7 LYS HB2 H 1 2.076 0.003 . 2 . . . A 7 LYS HB2 . 18169 1 59 . 2 2 7 7 LYS HB3 H 1 1.977 0.004 . 2 . . . A 7 LYS HB3 . 18169 1 60 . 2 2 7 7 LYS HG2 H 1 1.623 0.012 . 2 . . . A 7 LYS HG2 . 18169 1 61 . 2 2 7 7 LYS HG3 H 1 1.600 0.011 . 2 . . . A 7 LYS HG3 . 18169 1 62 . 2 2 7 7 LYS HD2 H 1 1.805 0.004 . 2 . . . A 7 LYS HD2 . 18169 1 63 . 2 2 7 7 LYS HD3 H 1 1.805 0.004 . 2 . . . A 7 LYS HD3 . 18169 1 64 . 2 2 7 7 LYS HE2 H 1 3.066 0.004 . 2 . . . A 7 LYS HE2 . 18169 1 65 . 2 2 7 7 LYS HE3 H 1 3.062 0.003 . 2 . . . A 7 LYS HE3 . 18169 1 66 . 2 2 7 7 LYS CA C 13 58.895 0.036 . 1 . . . A 7 LYS CA . 18169 1 67 . 2 2 7 7 LYS CB C 13 31.797 0.055 . 1 . . . A 7 LYS CB . 18169 1 68 . 2 2 7 7 LYS CG C 13 25.140 0.031 . 1 . . . A 7 LYS CG . 18169 1 69 . 2 2 7 7 LYS CD C 13 29.176 0.004 . 1 . . . A 7 LYS CD . 18169 1 70 . 2 2 7 7 LYS CE C 13 42.385 0.004 . 1 . . . A 7 LYS CE . 18169 1 71 . 2 2 7 7 LYS N N 15 119.202 0.023 . 1 . . . A 7 LYS N . 18169 1 72 . 2 2 8 8 ALA H H 1 8.303 0.003 . 1 . . . A 8 ALA H . 18169 1 73 . 2 2 8 8 ALA HA H 1 4.167 0.002 . 1 . . . A 8 ALA HA . 18169 1 74 . 2 2 8 8 ALA HB1 H 1 1.690 0.001 . 1 . . . A 8 ALA HB1 . 18169 1 75 . 2 2 8 8 ALA HB2 H 1 1.690 0.001 . 1 . . . A 8 ALA HB2 . 18169 1 76 . 2 2 8 8 ALA HB3 H 1 1.690 0.001 . 1 . . . A 8 ALA HB3 . 18169 1 77 . 2 2 8 8 ALA C C 13 179.326 0.004 . 1 . . . A 8 ALA C . 18169 1 78 . 2 2 8 8 ALA CA C 13 55.534 0.011 . 1 . . . A 8 ALA CA . 18169 1 79 . 2 2 8 8 ALA CB C 13 17.824 0.022 . 1 . . . A 8 ALA CB . 18169 1 80 . 2 2 8 8 ALA N N 15 122.047 0.029 . 1 . . . A 8 ALA N . 18169 1 81 . 2 2 9 9 LEU H H 1 7.827 0.004 . 1 . . . A 9 LEU H . 18169 1 82 . 2 2 9 9 LEU HA H 1 4.259 0.003 . 1 . . . A 9 LEU HA . 18169 1 83 . 2 2 9 9 LEU HB2 H 1 2.202 0.002 . 2 . . . A 9 LEU HB2 . 18169 1 84 . 2 2 9 9 LEU HB3 H 1 1.428 0.004 . 2 . . . A 9 LEU HB3 . 18169 1 85 . 2 2 9 9 LEU HG H 1 1.925 0.003 . 1 . . . A 9 LEU HG . 18169 1 86 . 2 2 9 9 LEU HD11 H 1 0.819 0.001 . 2 . . . A 9 LEU HD11 . 18169 1 87 . 2 2 9 9 LEU HD12 H 1 0.819 0.001 . 2 . . . A 9 LEU HD12 . 18169 1 88 . 2 2 9 9 LEU HD13 H 1 0.819 0.001 . 2 . . . A 9 LEU HD13 . 18169 1 89 . 2 2 9 9 LEU HD21 H 1 0.672 0.002 . 2 . . . A 9 LEU HD21 . 18169 1 90 . 2 2 9 9 LEU HD22 H 1 0.672 0.002 . 2 . . . A 9 LEU HD22 . 18169 1 91 . 2 2 9 9 LEU HD23 H 1 0.672 0.002 . 2 . . . A 9 LEU HD23 . 18169 1 92 . 2 2 9 9 LEU C C 13 178.828 0.004 . 1 . . . A 9 LEU C . 18169 1 93 . 2 2 9 9 LEU CA C 13 58.534 0.031 . 1 . . . A 9 LEU CA . 18169 1 94 . 2 2 9 9 LEU CB C 13 42.238 0.024 . 1 . . . A 9 LEU CB . 18169 1 95 . 2 2 9 9 LEU CG C 13 27.239 0.004 . 1 . . . A 9 LEU CG . 18169 1 96 . 2 2 9 9 LEU CD1 C 13 23.422 0.022 . 2 . . . A 9 LEU CD1 . 18169 1 97 . 2 2 9 9 LEU CD2 C 13 26.754 0.004 . 2 . . . A 9 LEU CD2 . 18169 1 98 . 2 2 9 9 LEU N N 15 118.304 0.007 . 1 . . . A 9 LEU N . 18169 1 99 . 2 2 10 10 ASP H H 1 7.755 0.002 . 1 . . . A 10 ASP H . 18169 1 100 . 2 2 10 10 ASP HA H 1 4.563 0.009 . 1 . . . A 10 ASP HA . 18169 1 101 . 2 2 10 10 ASP HB2 H 1 3.029 0.001 . 2 . . . A 10 ASP HB2 . 18169 1 102 . 2 2 10 10 ASP HB3 H 1 3.023 0.005 . 2 . . . A 10 ASP HB3 . 18169 1 103 . 2 2 10 10 ASP C C 13 179.706 0.004 . 1 . . . A 10 ASP C . 18169 1 104 . 2 2 10 10 ASP CA C 13 58.097 0.008 . 1 . . . A 10 ASP CA . 18169 1 105 . 2 2 10 10 ASP CB C 13 41.647 0.001 . 1 . . . A 10 ASP CB . 18169 1 106 . 2 2 10 10 ASP N N 15 119.120 0.014 . 1 . . . A 10 ASP N . 18169 1 107 . 2 2 11 11 VAL H H 1 8.460 0.005 . 1 . . . A 11 VAL H . 18169 1 108 . 2 2 11 11 VAL HA H 1 3.942 0.002 . 1 . . . A 11 VAL HA . 18169 1 109 . 2 2 11 11 VAL HB H 1 2.374 0.001 . 1 . . . A 11 VAL HB . 18169 1 110 . 2 2 11 11 VAL HG11 H 1 1.258 0.001 . 2 . . . A 11 VAL HG11 . 18169 1 111 . 2 2 11 11 VAL HG12 H 1 1.258 0.001 . 2 . . . A 11 VAL HG12 . 18169 1 112 . 2 2 11 11 VAL HG13 H 1 1.258 0.001 . 2 . . . A 11 VAL HG13 . 18169 1 113 . 2 2 11 11 VAL HG21 H 1 0.951 0.005 . 2 . . . A 11 VAL HG21 . 18169 1 114 . 2 2 11 11 VAL HG22 H 1 0.951 0.005 . 2 . . . A 11 VAL HG22 . 18169 1 115 . 2 2 11 11 VAL HG23 H 1 0.951 0.005 . 2 . . . A 11 VAL HG23 . 18169 1 116 . 2 2 11 11 VAL C C 13 180.466 0.004 . 1 . . . A 11 VAL C . 18169 1 117 . 2 2 11 11 VAL CA C 13 66.399 0.004 . 1 . . . A 11 VAL CA . 18169 1 118 . 2 2 11 11 VAL CB C 13 32.006 0.027 . 1 . . . A 11 VAL CB . 18169 1 119 . 2 2 11 11 VAL CG1 C 13 23.254 0.017 . 2 . . . A 11 VAL CG1 . 18169 1 120 . 2 2 11 11 VAL CG2 C 13 21.313 0.013 . 2 . . . A 11 VAL CG2 . 18169 1 121 . 2 2 11 11 VAL N N 15 121.019 0.014 . 1 . . . A 11 VAL N . 18169 1 122 . 2 2 12 12 MET H H 1 8.798 0.003 . 1 . . . A 12 MET H . 18169 1 123 . 2 2 12 12 MET HA H 1 4.067 0.005 . 1 . . . A 12 MET HA . 18169 1 124 . 2 2 12 12 MET HB2 H 1 2.574 0.005 . 2 . . . A 12 MET HB2 . 18169 1 125 . 2 2 12 12 MET HB3 H 1 2.203 0.005 . 2 . . . A 12 MET HB3 . 18169 1 126 . 2 2 12 12 MET HG2 H 1 2.841 0.003 . 2 . . . A 12 MET HG2 . 18169 1 127 . 2 2 12 12 MET HG3 H 1 2.385 0.006 . 2 . . . A 12 MET HG3 . 18169 1 128 . 2 2 12 12 MET HE1 H 1 1.892 0.001 . 1 . . . A 12 MET HE1 . 18169 1 129 . 2 2 12 12 MET HE2 H 1 1.892 0.001 . 1 . . . A 12 MET HE2 . 18169 1 130 . 2 2 12 12 MET HE3 H 1 1.892 0.001 . 1 . . . A 12 MET HE3 . 18169 1 131 . 2 2 12 12 MET C C 13 179.588 0.004 . 1 . . . A 12 MET C . 18169 1 132 . 2 2 12 12 MET CA C 13 61.008 0.030 . 1 . . . A 12 MET CA . 18169 1 133 . 2 2 12 12 MET CB C 13 33.340 0.026 . 1 . . . A 12 MET CB . 18169 1 134 . 2 2 12 12 MET CG C 13 32.208 0.031 . 1 . . . A 12 MET CG . 18169 1 135 . 2 2 12 12 MET CE C 13 16.906 0.025 . 1 . . . A 12 MET CE . 18169 1 136 . 2 2 12 12 MET N N 15 124.076 0.009 . 1 . . . A 12 MET N . 18169 1 137 . 2 2 13 13 VAL H H 1 8.438 0.008 . 1 . . . A 13 VAL H . 18169 1 138 . 2 2 13 13 VAL HA H 1 4.077 0.007 . 1 . . . A 13 VAL HA . 18169 1 139 . 2 2 13 13 VAL HB H 1 2.390 0.003 . 1 . . . A 13 VAL HB . 18169 1 140 . 2 2 13 13 VAL HG11 H 1 1.281 0.003 . 2 . . . A 13 VAL HG11 . 18169 1 141 . 2 2 13 13 VAL HG12 H 1 1.281 0.003 . 2 . . . A 13 VAL HG12 . 18169 1 142 . 2 2 13 13 VAL HG13 H 1 1.281 0.003 . 2 . . . A 13 VAL HG13 . 18169 1 143 . 2 2 13 13 VAL HG21 H 1 0.854 0.002 . 2 . . . A 13 VAL HG21 . 18169 1 144 . 2 2 13 13 VAL HG22 H 1 0.854 0.002 . 2 . . . A 13 VAL HG22 . 18169 1 145 . 2 2 13 13 VAL HG23 H 1 0.854 0.002 . 2 . . . A 13 VAL HG23 . 18169 1 146 . 2 2 13 13 VAL C C 13 177.976 0.004 . 1 . . . A 13 VAL C . 18169 1 147 . 2 2 13 13 VAL CA C 13 66.895 0.026 . 1 . . . A 13 VAL CA . 18169 1 148 . 2 2 13 13 VAL CB C 13 32.830 0.050 . 1 . . . A 13 VAL CB . 18169 1 149 . 2 2 13 13 VAL CG1 C 13 22.880 0.035 . 2 . . . A 13 VAL CG1 . 18169 1 150 . 2 2 13 13 VAL CG2 C 13 21.690 0.049 . 2 . . . A 13 VAL CG2 . 18169 1 151 . 2 2 13 13 VAL N N 15 119.899 0.021 . 1 . . . A 13 VAL N . 18169 1 152 . 2 2 14 14 SER H H 1 8.882 0.007 . 1 . . . A 14 SER H . 18169 1 153 . 2 2 14 14 SER HA H 1 4.110 0.001 . 1 . . . A 14 SER HA . 18169 1 154 . 2 2 14 14 SER HB2 H 1 4.099 0.004 . 2 . . . A 14 SER HB2 . 18169 1 155 . 2 2 14 14 SER HB3 H 1 4.099 0.004 . 2 . . . A 14 SER HB3 . 18169 1 156 . 2 2 14 14 SER C C 13 178.697 0.004 . 1 . . . A 14 SER C . 18169 1 157 . 2 2 14 14 SER CA C 13 62.304 0.031 . 1 . . . A 14 SER CA . 18169 1 158 . 2 2 14 14 SER CB C 13 62.903 0.004 . 1 . . . A 14 SER CB . 18169 1 159 . 2 2 14 14 SER N N 15 114.212 0.065 . 1 . . . A 14 SER N . 18169 1 160 . 2 2 15 15 THR H H 1 8.626 0.005 . 1 . . . A 15 THR H . 18169 1 161 . 2 2 15 15 THR HA H 1 4.435 0.003 . 1 . . . A 15 THR HA . 18169 1 162 . 2 2 15 15 THR HB H 1 4.015 0.002 . 1 . . . A 15 THR HB . 18169 1 163 . 2 2 15 15 THR HG21 H 1 1.533 0.003 . 1 . . . A 15 THR HG21 . 18169 1 164 . 2 2 15 15 THR HG22 H 1 1.533 0.003 . 1 . . . A 15 THR HG22 . 18169 1 165 . 2 2 15 15 THR HG23 H 1 1.533 0.003 . 1 . . . A 15 THR HG23 . 18169 1 166 . 2 2 15 15 THR C C 13 175.131 0.004 . 1 . . . A 15 THR C . 18169 1 167 . 2 2 15 15 THR CA C 13 68.075 0.025 . 1 . . . A 15 THR CA . 18169 1 168 . 2 2 15 15 THR CB C 13 68.135 0.018 . 1 . . . A 15 THR CB . 18169 1 169 . 2 2 15 15 THR CG2 C 13 22.443 0.017 . 1 . . . A 15 THR CG2 . 18169 1 170 . 2 2 15 15 THR N N 15 117.955 0.022 . 1 . . . A 15 THR N . 18169 1 171 . 2 2 16 16 PHE H H 1 7.060 0.003 . 1 . . . A 16 PHE H . 18169 1 172 . 2 2 16 16 PHE HA H 1 3.580 0.003 . 1 . . . A 16 PHE HA . 18169 1 173 . 2 2 16 16 PHE HB2 H 1 3.046 0.003 . 2 . . . A 16 PHE HB2 . 18169 1 174 . 2 2 16 16 PHE HB3 H 1 2.605 0.003 . 2 . . . A 16 PHE HB3 . 18169 1 175 . 2 2 16 16 PHE HD1 H 1 5.626 0.007 . 3 . . . A 16 PHE HD1 . 18169 1 176 . 2 2 16 16 PHE HD2 H 1 5.626 0.007 . 3 . . . A 16 PHE HD2 . 18169 1 177 . 2 2 16 16 PHE HE1 H 1 6.283 0.002 . 3 . . . A 16 PHE HE1 . 18169 1 178 . 2 2 16 16 PHE HE2 H 1 6.283 0.002 . 3 . . . A 16 PHE HE2 . 18169 1 179 . 2 2 16 16 PHE C C 13 176.953 0.004 . 1 . . . A 16 PHE C . 18169 1 180 . 2 2 16 16 PHE CA C 13 62.667 0.029 . 1 . . . A 16 PHE CA . 18169 1 181 . 2 2 16 16 PHE CB C 13 39.782 0.062 . 1 . . . A 16 PHE CB . 18169 1 182 . 2 2 16 16 PHE CD1 C 13 131.823 0.004 . 3 . . . A 16 PHE CD1 . 18169 1 183 . 2 2 16 16 PHE CD2 C 13 131.823 0.004 . 3 . . . A 16 PHE CD2 . 18169 1 184 . 2 2 16 16 PHE CE1 C 13 135.772 0.016 . 3 . . . A 16 PHE CE1 . 18169 1 185 . 2 2 16 16 PHE CE2 C 13 135.772 0.016 . 3 . . . A 16 PHE CE2 . 18169 1 186 . 2 2 16 16 PHE N N 15 119.496 0.019 . 1 . . . A 16 PHE N . 18169 1 187 . 2 2 17 17 HIS H H 1 7.006 0.012 . 1 . . . A 17 HIS H . 18169 1 188 . 2 2 17 17 HIS HA H 1 4.809 0.006 . 1 . . . A 17 HIS HA . 18169 1 189 . 2 2 17 17 HIS HB2 H 1 3.410 0.005 . 2 . . . A 17 HIS HB2 . 18169 1 190 . 2 2 17 17 HIS HB3 H 1 2.959 0.009 . 2 . . . A 17 HIS HB3 . 18169 1 191 . 2 2 17 17 HIS HD2 H 1 7.409 0.013 . 1 . . . A 17 HIS HD2 . 18169 1 192 . 2 2 17 17 HIS CA C 13 57.507 0.034 . 1 . . . A 17 HIS CA . 18169 1 193 . 2 2 17 17 HIS CB C 13 29.896 0.010 . 1 . . . A 17 HIS CB . 18169 1 194 . 2 2 17 17 HIS CD2 C 13 120.791 0.004 . 1 . . . A 17 HIS CD2 . 18169 1 195 . 2 2 17 17 HIS N N 15 113.940 0.061 . 1 . . . A 17 HIS N . 18169 1 196 . 2 2 18 18 LYS H H 1 7.776 0.002 . 1 . . . A 18 LYS H . 18169 1 197 . 2 2 18 18 LYS HA H 1 3.992 0.003 . 1 . . . A 18 LYS HA . 18169 1 198 . 2 2 18 18 LYS HB2 H 1 1.912 0.001 . 2 . . . A 18 LYS HB2 . 18169 1 199 . 2 2 18 18 LYS HB3 H 1 1.814 0.003 . 2 . . . A 18 LYS HB3 . 18169 1 200 . 2 2 18 18 LYS HG2 H 1 1.441 0.001 . 2 . . . A 18 LYS HG2 . 18169 1 201 . 2 2 18 18 LYS HG3 H 1 0.836 0.008 . 2 . . . A 18 LYS HG3 . 18169 1 202 . 2 2 18 18 LYS HD2 H 1 1.746 0.004 . 2 . . . A 18 LYS HD2 . 18169 1 203 . 2 2 18 18 LYS HD3 H 1 1.686 0.004 . 2 . . . A 18 LYS HD3 . 18169 1 204 . 2 2 18 18 LYS HE2 H 1 2.957 0.004 . 2 . . . A 18 LYS HE2 . 18169 1 205 . 2 2 18 18 LYS HE3 H 1 2.959 0.004 . 2 . . . A 18 LYS HE3 . 18169 1 206 . 2 2 18 18 LYS C C 13 176.743 0.004 . 1 . . . A 18 LYS C . 18169 1 207 . 2 2 18 18 LYS CA C 13 58.895 0.022 . 1 . . . A 18 LYS CA . 18169 1 208 . 2 2 18 18 LYS CB C 13 32.559 0.085 . 1 . . . A 18 LYS CB . 18169 1 209 . 2 2 18 18 LYS CG C 13 24.983 0.025 . 1 . . . A 18 LYS CG . 18169 1 210 . 2 2 18 18 LYS CD C 13 30.132 0.009 . 1 . . . A 18 LYS CD . 18169 1 211 . 2 2 18 18 LYS CE C 13 42.293 0.010 . 1 . . . A 18 LYS CE . 18169 1 212 . 2 2 18 18 LYS N N 15 121.117 0.031 . 1 . . . A 18 LYS N . 18169 1 213 . 2 2 19 19 TYR H H 1 6.865 0.008 . 1 . . . A 19 TYR H . 18169 1 214 . 2 2 19 19 TYR HA H 1 4.351 0.007 . 1 . . . A 19 TYR HA . 18169 1 215 . 2 2 19 19 TYR HB2 H 1 2.937 0.003 . 2 . . . A 19 TYR HB2 . 18169 1 216 . 2 2 19 19 TYR HB3 H 1 2.350 0.006 . 2 . . . A 19 TYR HB3 . 18169 1 217 . 2 2 19 19 TYR HD1 H 1 7.413 0.003 . 3 . . . A 19 TYR HD1 . 18169 1 218 . 2 2 19 19 TYR HD2 H 1 7.413 0.003 . 3 . . . A 19 TYR HD2 . 18169 1 219 . 2 2 19 19 TYR HE1 H 1 6.846 0.003 . 3 . . . A 19 TYR HE1 . 18169 1 220 . 2 2 19 19 TYR HE2 H 1 6.846 0.003 . 3 . . . A 19 TYR HE2 . 18169 1 221 . 2 2 19 19 TYR C C 13 176.140 0.004 . 1 . . . A 19 TYR C . 18169 1 222 . 2 2 19 19 TYR CA C 13 59.680 0.004 . 1 . . . A 19 TYR CA . 18169 1 223 . 2 2 19 19 TYR CB C 13 41.020 0.018 . 1 . . . A 19 TYR CB . 18169 1 224 . 2 2 19 19 TYR CD1 C 13 133.788 0.004 . 3 . . . A 19 TYR CD1 . 18169 1 225 . 2 2 19 19 TYR CD2 C 13 133.788 0.004 . 3 . . . A 19 TYR CD2 . 18169 1 226 . 2 2 19 19 TYR CE1 C 13 117.619 0.004 . 3 . . . A 19 TYR CE1 . 18169 1 227 . 2 2 19 19 TYR CE2 C 13 117.619 0.004 . 3 . . . A 19 TYR CE2 . 18169 1 228 . 2 2 19 19 TYR N N 15 113.201 0.022 . 1 . . . A 19 TYR N . 18169 1 229 . 2 2 20 20 SER H H 1 8.332 0.004 . 1 . . . A 20 SER H . 18169 1 230 . 2 2 20 20 SER HA H 1 3.547 0.002 . 1 . . . A 20 SER HA . 18169 1 231 . 2 2 20 20 SER HB2 H 1 3.077 0.005 . 2 . . . A 20 SER HB2 . 18169 1 232 . 2 2 20 20 SER HB3 H 1 2.172 0.004 . 2 . . . A 20 SER HB3 . 18169 1 233 . 2 2 20 20 SER C C 13 176.665 0.004 . 1 . . . A 20 SER C . 18169 1 234 . 2 2 20 20 SER CA C 13 62.007 0.021 . 1 . . . A 20 SER CA . 18169 1 235 . 2 2 20 20 SER CB C 13 61.319 0.045 . 1 . . . A 20 SER CB . 18169 1 236 . 2 2 20 20 SER N N 15 113.387 0.025 . 1 . . . A 20 SER N . 18169 1 237 . 2 2 21 21 GLY H H 1 7.778 0.003 . 1 . . . A 21 GLY H . 18169 1 238 . 2 2 21 21 GLY HA2 H 1 4.143 0.001 . 2 . . . A 21 GLY HA2 . 18169 1 239 . 2 2 21 21 GLY HA3 H 1 3.882 0.008 . 2 . . . A 21 GLY HA3 . 18169 1 240 . 2 2 21 21 GLY C C 13 173.728 0.004 . 1 . . . A 21 GLY C . 18169 1 241 . 2 2 21 21 GLY CA C 13 45.548 0.014 . 1 . . . A 21 GLY CA . 18169 1 242 . 2 2 21 21 GLY N N 15 110.599 0.016 . 1 . . . A 21 GLY N . 18169 1 243 . 2 2 22 22 LYS H H 1 7.234 0.006 . 1 . . . A 22 LYS H . 18169 1 244 . 2 2 22 22 LYS HA H 1 3.998 0.002 . 1 . . . A 22 LYS HA . 18169 1 245 . 2 2 22 22 LYS HB2 H 1 2.186 0.007 . 2 . . . A 22 LYS HB2 . 18169 1 246 . 2 2 22 22 LYS HB3 H 1 2.038 0.002 . 2 . . . A 22 LYS HB3 . 18169 1 247 . 2 2 22 22 LYS HG2 H 1 1.721 0.003 . 2 . . . A 22 LYS HG2 . 18169 1 248 . 2 2 22 22 LYS HG3 H 1 1.475 0.004 . 2 . . . A 22 LYS HG3 . 18169 1 249 . 2 2 22 22 LYS HD2 H 1 1.915 0.003 . 2 . . . A 22 LYS HD2 . 18169 1 250 . 2 2 22 22 LYS HD3 H 1 1.806 0.003 . 2 . . . A 22 LYS HD3 . 18169 1 251 . 2 2 22 22 LYS HE2 H 1 3.048 0.004 . 2 . . . A 22 LYS HE2 . 18169 1 252 . 2 2 22 22 LYS HE3 H 1 3.048 0.004 . 2 . . . A 22 LYS HE3 . 18169 1 253 . 2 2 22 22 LYS C C 13 177.569 0.004 . 1 . . . A 22 LYS C . 18169 1 254 . 2 2 22 22 LYS CA C 13 60.218 0.016 . 1 . . . A 22 LYS CA . 18169 1 255 . 2 2 22 22 LYS CB C 13 32.988 0.025 . 1 . . . A 22 LYS CB . 18169 1 256 . 2 2 22 22 LYS CG C 13 25.919 0.022 . 1 . . . A 22 LYS CG . 18169 1 257 . 2 2 22 22 LYS CD C 13 29.229 0.014 . 1 . . . A 22 LYS CD . 18169 1 258 . 2 2 22 22 LYS CE C 13 42.273 0.012 . 1 . . . A 22 LYS CE . 18169 1 259 . 2 2 22 22 LYS N N 15 122.254 0.020 . 1 . . . A 22 LYS N . 18169 1 260 . 2 2 23 23 GLU H H 1 9.611 0.002 . 1 . . . A 23 GLU H . 18169 1 261 . 2 2 23 23 GLU HA H 1 4.651 0.001 . 1 . . . A 23 GLU HA . 18169 1 262 . 2 2 23 23 GLU HB2 H 1 1.986 0.003 . 2 . . . A 23 GLU HB2 . 18169 1 263 . 2 2 23 23 GLU HB3 H 1 1.828 0.003 . 2 . . . A 23 GLU HB3 . 18169 1 264 . 2 2 23 23 GLU HG2 H 1 2.252 0.004 . 2 . . . A 23 GLU HG2 . 18169 1 265 . 2 2 23 23 GLU HG3 H 1 2.142 0.010 . 2 . . . A 23 GLU HG3 . 18169 1 266 . 2 2 23 23 GLU C C 13 177.005 0.004 . 1 . . . A 23 GLU C . 18169 1 267 . 2 2 23 23 GLU CA C 13 54.583 0.014 . 1 . . . A 23 GLU CA . 18169 1 268 . 2 2 23 23 GLU CB C 13 34.331 0.017 . 1 . . . A 23 GLU CB . 18169 1 269 . 2 2 23 23 GLU CG C 13 35.991 0.009 . 1 . . . A 23 GLU CG . 18169 1 270 . 2 2 23 23 GLU N N 15 116.364 0.018 . 1 . . . A 23 GLU N . 18169 1 271 . 2 2 24 24 GLY H H 1 8.992 0.002 . 1 . . . A 24 GLY H . 18169 1 272 . 2 2 24 24 GLY HA2 H 1 3.943 0.003 . 2 . . . A 24 GLY HA2 . 18169 1 273 . 2 2 24 24 GLY HA3 H 1 3.784 0.005 . 2 . . . A 24 GLY HA3 . 18169 1 274 . 2 2 24 24 GLY C C 13 173.728 0.004 . 1 . . . A 24 GLY C . 18169 1 275 . 2 2 24 24 GLY CA C 13 46.452 0.011 . 1 . . . A 24 GLY CA . 18169 1 276 . 2 2 24 24 GLY N N 15 113.470 0.029 . 1 . . . A 24 GLY N . 18169 1 277 . 2 2 25 25 ASP H H 1 8.603 0.004 . 1 . . . A 25 ASP H . 18169 1 278 . 2 2 25 25 ASP HA H 1 4.490 0.001 . 1 . . . A 25 ASP HA . 18169 1 279 . 2 2 25 25 ASP HB2 H 1 2.889 0.003 . 2 . . . A 25 ASP HB2 . 18169 1 280 . 2 2 25 25 ASP HB3 H 1 2.710 0.002 . 2 . . . A 25 ASP HB3 . 18169 1 281 . 2 2 25 25 ASP C C 13 179.457 0.004 . 1 . . . A 25 ASP C . 18169 1 282 . 2 2 25 25 ASP CA C 13 55.259 0.019 . 1 . . . A 25 ASP CA . 18169 1 283 . 2 2 25 25 ASP CB C 13 41.929 0.025 . 1 . . . A 25 ASP CB . 18169 1 284 . 2 2 25 25 ASP N N 15 126.249 0.015 . 1 . . . A 25 ASP N . 18169 1 285 . 2 2 26 26 LYS H H 1 9.346 0.006 . 1 . . . A 26 LYS H . 18169 1 286 . 2 2 26 26 LYS HA H 1 4.412 0.002 . 1 . . . A 26 LYS HA . 18169 1 287 . 2 2 26 26 LYS HB2 H 1 1.593 0.005 . 2 . . . A 26 LYS HB2 . 18169 1 288 . 2 2 26 26 LYS HB3 H 1 1.432 0.003 . 2 . . . A 26 LYS HB3 . 18169 1 289 . 2 2 26 26 LYS HG2 H 1 1.298 0.004 . 2 . . . A 26 LYS HG2 . 18169 1 290 . 2 2 26 26 LYS HG3 H 1 1.268 0.005 . 2 . . . A 26 LYS HG3 . 18169 1 291 . 2 2 26 26 LYS HD2 H 1 1.632 0.002 . 2 . . . A 26 LYS HD2 . 18169 1 292 . 2 2 26 26 LYS HD3 H 1 1.632 0.002 . 2 . . . A 26 LYS HD3 . 18169 1 293 . 2 2 26 26 LYS HE2 H 1 3.002 0.004 . 2 . . . A 26 LYS HE2 . 18169 1 294 . 2 2 26 26 LYS HE3 H 1 3.002 0.004 . 2 . . . A 26 LYS HE3 . 18169 1 295 . 2 2 26 26 LYS C C 13 176.914 0.004 . 1 . . . A 26 LYS C . 18169 1 296 . 2 2 26 26 LYS CA C 13 58.025 0.026 . 1 . . . A 26 LYS CA . 18169 1 297 . 2 2 26 26 LYS CB C 13 31.430 0.013 . 1 . . . A 26 LYS CB . 18169 1 298 . 2 2 26 26 LYS CG C 13 25.000 0.019 . 1 . . . A 26 LYS CG . 18169 1 299 . 2 2 26 26 LYS CD C 13 29.194 0.012 . 1 . . . A 26 LYS CD . 18169 1 300 . 2 2 26 26 LYS CE C 13 42.361 0.004 . 1 . . . A 26 LYS CE . 18169 1 301 . 2 2 26 26 LYS N N 15 131.920 0.025 . 1 . . . A 26 LYS N . 18169 1 302 . 2 2 27 27 PHE H H 1 9.572 0.004 . 1 . . . A 27 PHE H . 18169 1 303 . 2 2 27 27 PHE HA H 1 4.851 0.007 . 1 . . . A 27 PHE HA . 18169 1 304 . 2 2 27 27 PHE HB2 H 1 3.781 0.004 . 2 . . . A 27 PHE HB2 . 18169 1 305 . 2 2 27 27 PHE HB3 H 1 3.166 0.004 . 2 . . . A 27 PHE HB3 . 18169 1 306 . 2 2 27 27 PHE HD1 H 1 7.491 0.010 . 3 . . . A 27 PHE HD1 . 18169 1 307 . 2 2 27 27 PHE HD2 H 1 7.491 0.010 . 3 . . . A 27 PHE HD2 . 18169 1 308 . 2 2 27 27 PHE HE1 H 1 7.423 0.011 . 3 . . . A 27 PHE HE1 . 18169 1 309 . 2 2 27 27 PHE HE2 H 1 7.423 0.011 . 3 . . . A 27 PHE HE2 . 18169 1 310 . 2 2 27 27 PHE C C 13 173.663 0.004 . 1 . . . A 27 PHE C . 18169 1 311 . 2 2 27 27 PHE CA C 13 56.203 0.016 . 1 . . . A 27 PHE CA . 18169 1 312 . 2 2 27 27 PHE CB C 13 39.146 0.011 . 1 . . . A 27 PHE CB . 18169 1 313 . 2 2 27 27 PHE CD1 C 13 131.727 0.153 . 3 . . . A 27 PHE CD1 . 18169 1 314 . 2 2 27 27 PHE CD2 C 13 131.727 0.153 . 3 . . . A 27 PHE CD2 . 18169 1 315 . 2 2 27 27 PHE CE1 C 13 129.844 0.042 . 3 . . . A 27 PHE CE1 . 18169 1 316 . 2 2 27 27 PHE CE2 C 13 129.844 0.042 . 3 . . . A 27 PHE CE2 . 18169 1 317 . 2 2 27 27 PHE N N 15 119.930 0.028 . 1 . . . A 27 PHE N . 18169 1 318 . 2 2 28 28 LYS H H 1 7.197 0.004 . 1 . . . A 28 LYS H . 18169 1 319 . 2 2 28 28 LYS HA H 1 5.169 0.007 . 1 . . . A 28 LYS HA . 18169 1 320 . 2 2 28 28 LYS HB2 H 1 1.718 0.004 . 2 . . . A 28 LYS HB2 . 18169 1 321 . 2 2 28 28 LYS HB3 H 1 1.721 0.004 . 2 . . . A 28 LYS HB3 . 18169 1 322 . 2 2 28 28 LYS HG2 H 1 1.520 0.009 . 2 . . . A 28 LYS HG2 . 18169 1 323 . 2 2 28 28 LYS HG3 H 1 1.336 0.009 . 2 . . . A 28 LYS HG3 . 18169 1 324 . 2 2 28 28 LYS HD2 H 1 1.713 0.008 . 2 . . . A 28 LYS HD2 . 18169 1 325 . 2 2 28 28 LYS HD3 H 1 1.513 0.002 . 2 . . . A 28 LYS HD3 . 18169 1 326 . 2 2 28 28 LYS HE2 H 1 3.139 0.005 . 2 . . . A 28 LYS HE2 . 18169 1 327 . 2 2 28 28 LYS HE3 H 1 3.139 0.005 . 2 . . . A 28 LYS HE3 . 18169 1 328 . 2 2 28 28 LYS C C 13 174.619 0.004 . 1 . . . A 28 LYS C . 18169 1 329 . 2 2 28 28 LYS CA C 13 55.377 0.041 . 1 . . . A 28 LYS CA . 18169 1 330 . 2 2 28 28 LYS CB C 13 39.153 0.029 . 1 . . . A 28 LYS CB . 18169 1 331 . 2 2 28 28 LYS CG C 13 26.294 0.034 . 1 . . . A 28 LYS CG . 18169 1 332 . 2 2 28 28 LYS CD C 13 30.359 0.017 . 1 . . . A 28 LYS CD . 18169 1 333 . 2 2 28 28 LYS CE C 13 42.213 0.002 . 1 . . . A 28 LYS CE . 18169 1 334 . 2 2 28 28 LYS N N 15 115.269 0.017 . 1 . . . A 28 LYS N . 18169 1 335 . 2 2 29 29 LEU H H 1 9.658 0.004 . 1 . . . A 29 LEU H . 18169 1 336 . 2 2 29 29 LEU HA H 1 5.258 0.009 . 1 . . . A 29 LEU HA . 18169 1 337 . 2 2 29 29 LEU HB2 H 1 2.154 0.007 . 2 . . . A 29 LEU HB2 . 18169 1 338 . 2 2 29 29 LEU HB3 H 1 1.239 0.006 . 2 . . . A 29 LEU HB3 . 18169 1 339 . 2 2 29 29 LEU HG H 1 1.196 0.002 . 1 . . . A 29 LEU HG . 18169 1 340 . 2 2 29 29 LEU HD11 H 1 0.768 0.002 . 2 . . . A 29 LEU HD11 . 18169 1 341 . 2 2 29 29 LEU HD12 H 1 0.768 0.002 . 2 . . . A 29 LEU HD12 . 18169 1 342 . 2 2 29 29 LEU HD13 H 1 0.768 0.002 . 2 . . . A 29 LEU HD13 . 18169 1 343 . 2 2 29 29 LEU HD21 H 1 0.288 0.003 . 2 . . . A 29 LEU HD21 . 18169 1 344 . 2 2 29 29 LEU HD22 H 1 0.288 0.003 . 2 . . . A 29 LEU HD22 . 18169 1 345 . 2 2 29 29 LEU HD23 H 1 0.288 0.003 . 2 . . . A 29 LEU HD23 . 18169 1 346 . 2 2 29 29 LEU C C 13 175.878 0.004 . 1 . . . A 29 LEU C . 18169 1 347 . 2 2 29 29 LEU CA C 13 52.745 0.011 . 1 . . . A 29 LEU CA . 18169 1 348 . 2 2 29 29 LEU CB C 13 43.648 0.063 . 1 . . . A 29 LEU CB . 18169 1 349 . 2 2 29 29 LEU CG C 13 25.455 0.004 . 1 . . . A 29 LEU CG . 18169 1 350 . 2 2 29 29 LEU CD1 C 13 27.512 0.024 . 2 . . . A 29 LEU CD1 . 18169 1 351 . 2 2 29 29 LEU CD2 C 13 24.425 0.019 . 2 . . . A 29 LEU CD2 . 18169 1 352 . 2 2 29 29 LEU N N 15 125.725 0.020 . 1 . . . A 29 LEU N . 18169 1 353 . 2 2 30 30 ASN H H 1 9.628 0.006 . 1 . . . A 30 ASN H . 18169 1 354 . 2 2 30 30 ASN HA H 1 4.803 0.004 . 1 . . . A 30 ASN HA . 18169 1 355 . 2 2 30 30 ASN HB2 H 1 3.482 0.011 . 2 . . . A 30 ASN HB2 . 18169 1 356 . 2 2 30 30 ASN HB3 H 1 3.047 0.002 . 2 . . . A 30 ASN HB3 . 18169 1 357 . 2 2 30 30 ASN HD21 H 1 7.610 0.003 . 2 . . . A 30 ASN HD21 . 18169 1 358 . 2 2 30 30 ASN HD22 H 1 7.451 0.001 . 2 . . . A 30 ASN HD22 . 18169 1 359 . 2 2 30 30 ASN C C 13 175.341 0.004 . 1 . . . A 30 ASN C . 18169 1 360 . 2 2 30 30 ASN CA C 13 50.847 0.012 . 1 . . . A 30 ASN CA . 18169 1 361 . 2 2 30 30 ASN CB C 13 37.565 0.010 . 1 . . . A 30 ASN CB . 18169 1 362 . 2 2 30 30 ASN N N 15 123.459 0.015 . 1 . . . A 30 ASN N . 18169 1 363 . 2 2 30 30 ASN ND2 N 15 109.911 0.002 . 1 . . . A 30 ASN ND2 . 18169 1 364 . 2 2 31 31 LYS H H 1 8.388 0.006 . 1 . . . A 31 LYS H . 18169 1 365 . 2 2 31 31 LYS HA H 1 4.038 0.005 . 1 . . . A 31 LYS HA . 18169 1 366 . 2 2 31 31 LYS HB2 H 1 1.900 0.002 . 2 . . . A 31 LYS HB2 . 18169 1 367 . 2 2 31 31 LYS HB3 H 1 1.900 0.002 . 2 . . . A 31 LYS HB3 . 18169 1 368 . 2 2 31 31 LYS HG2 H 1 1.572 0.004 . 2 . . . A 31 LYS HG2 . 18169 1 369 . 2 2 31 31 LYS HG3 H 1 1.499 0.003 . 2 . . . A 31 LYS HG3 . 18169 1 370 . 2 2 31 31 LYS HD2 H 1 1.778 0.003 . 2 . . . A 31 LYS HD2 . 18169 1 371 . 2 2 31 31 LYS HD3 H 1 1.778 0.003 . 2 . . . A 31 LYS HD3 . 18169 1 372 . 2 2 31 31 LYS HE2 H 1 3.042 0.004 . 2 . . . A 31 LYS HE2 . 18169 1 373 . 2 2 31 31 LYS HE3 H 1 3.042 0.004 . 2 . . . A 31 LYS HE3 . 18169 1 374 . 2 2 31 31 LYS C C 13 177.949 0.004 . 1 . . . A 31 LYS C . 18169 1 375 . 2 2 31 31 LYS CA C 13 61.169 0.018 . 1 . . . A 31 LYS CA . 18169 1 376 . 2 2 31 31 LYS CB C 13 32.197 0.008 . 1 . . . A 31 LYS CB . 18169 1 377 . 2 2 31 31 LYS CG C 13 24.944 0.020 . 1 . . . A 31 LYS CG . 18169 1 378 . 2 2 31 31 LYS CD C 13 29.508 0.004 . 1 . . . A 31 LYS CD . 18169 1 379 . 2 2 31 31 LYS CE C 13 41.921 0.004 . 1 . . . A 31 LYS CE . 18169 1 380 . 2 2 31 31 LYS N N 15 116.427 0.025 . 1 . . . A 31 LYS N . 18169 1 381 . 2 2 32 32 SER H H 1 7.664 0.002 . 1 . . . A 32 SER H . 18169 1 382 . 2 2 32 32 SER HA H 1 4.156 0.005 . 1 . . . A 32 SER HA . 18169 1 383 . 2 2 32 32 SER HB2 H 1 4.002 0.004 . 2 . . . A 32 SER HB2 . 18169 1 384 . 2 2 32 32 SER HB3 H 1 4.003 0.001 . 2 . . . A 32 SER HB3 . 18169 1 385 . 2 2 32 32 SER C C 13 177.556 0.004 . 1 . . . A 32 SER C . 18169 1 386 . 2 2 32 32 SER CA C 13 61.516 0.010 . 1 . . . A 32 SER CA . 18169 1 387 . 2 2 32 32 SER CB C 13 62.839 0.004 . 1 . . . A 32 SER CB . 18169 1 388 . 2 2 32 32 SER N N 15 114.823 0.023 . 1 . . . A 32 SER N . 18169 1 389 . 2 2 33 33 GLU H H 1 8.691 0.004 . 1 . . . A 33 GLU H . 18169 1 390 . 2 2 33 33 GLU HA H 1 4.073 0.004 . 1 . . . A 33 GLU HA . 18169 1 391 . 2 2 33 33 GLU HB2 H 1 2.230 0.003 . 2 . . . A 33 GLU HB2 . 18169 1 392 . 2 2 33 33 GLU HG2 H 1 2.518 0.003 . 2 . . . A 33 GLU HG2 . 18169 1 393 . 2 2 33 33 GLU HG3 H 1 2.422 0.002 . 2 . . . A 33 GLU HG3 . 18169 1 394 . 2 2 33 33 GLU C C 13 178.670 0.004 . 1 . . . A 33 GLU C . 18169 1 395 . 2 2 33 33 GLU CA C 13 59.097 0.027 . 1 . . . A 33 GLU CA . 18169 1 396 . 2 2 33 33 GLU CB C 13 31.085 0.005 . 1 . . . A 33 GLU CB . 18169 1 397 . 2 2 33 33 GLU CG C 13 36.277 0.004 . 1 . . . A 33 GLU CG . 18169 1 398 . 2 2 33 33 GLU N N 15 123.350 0.030 . 1 . . . A 33 GLU N . 18169 1 399 . 2 2 34 34 LEU H H 1 8.926 0.004 . 1 . . . A 34 LEU H . 18169 1 400 . 2 2 34 34 LEU HA H 1 3.960 0.003 . 1 . . . A 34 LEU HA . 18169 1 401 . 2 2 34 34 LEU HB2 H 1 2.030 0.004 . 2 . . . A 34 LEU HB2 . 18169 1 402 . 2 2 34 34 LEU HB3 H 1 1.383 0.002 . 2 . . . A 34 LEU HB3 . 18169 1 403 . 2 2 34 34 LEU HG H 1 1.541 0.003 . 1 . . . A 34 LEU HG . 18169 1 404 . 2 2 34 34 LEU HD11 H 1 0.787 0.007 . 2 . . . A 34 LEU HD11 . 18169 1 405 . 2 2 34 34 LEU HD12 H 1 0.787 0.007 . 2 . . . A 34 LEU HD12 . 18169 1 406 . 2 2 34 34 LEU HD13 H 1 0.787 0.007 . 2 . . . A 34 LEU HD13 . 18169 1 407 . 2 2 34 34 LEU HD21 H 1 0.770 0.003 . 2 . . . A 34 LEU HD21 . 18169 1 408 . 2 2 34 34 LEU HD22 H 1 0.770 0.003 . 2 . . . A 34 LEU HD22 . 18169 1 409 . 2 2 34 34 LEU HD23 H 1 0.770 0.003 . 2 . . . A 34 LEU HD23 . 18169 1 410 . 2 2 34 34 LEU C C 13 177.831 0.004 . 1 . . . A 34 LEU C . 18169 1 411 . 2 2 34 34 LEU CA C 13 58.056 0.017 . 1 . . . A 34 LEU CA . 18169 1 412 . 2 2 34 34 LEU CB C 13 41.806 0.024 . 1 . . . A 34 LEU CB . 18169 1 413 . 2 2 34 34 LEU CG C 13 27.246 0.022 . 1 . . . A 34 LEU CG . 18169 1 414 . 2 2 34 34 LEU CD1 C 13 26.068 0.030 . 2 . . . A 34 LEU CD1 . 18169 1 415 . 2 2 34 34 LEU CD2 C 13 22.969 0.028 . 2 . . . A 34 LEU CD2 . 18169 1 416 . 2 2 34 34 LEU N N 15 118.973 0.037 . 1 . . . A 34 LEU N . 18169 1 417 . 2 2 35 35 LYS H H 1 7.967 0.003 . 1 . . . A 35 LYS H . 18169 1 418 . 2 2 35 35 LYS HA H 1 3.450 0.004 . 1 . . . A 35 LYS HA . 18169 1 419 . 2 2 35 35 LYS HB2 H 1 1.783 0.002 . 2 . . . A 35 LYS HB2 . 18169 1 420 . 2 2 35 35 LYS HB3 H 1 1.381 0.003 . 2 . . . A 35 LYS HB3 . 18169 1 421 . 2 2 35 35 LYS HG2 H 1 0.898 0.008 . 2 . . . A 35 LYS HG2 . 18169 1 422 . 2 2 35 35 LYS HG3 H 1 0.887 0.009 . 2 . . . A 35 LYS HG3 . 18169 1 423 . 2 2 35 35 LYS HD2 H 1 1.385 0.004 . 2 . . . A 35 LYS HD2 . 18169 1 424 . 2 2 35 35 LYS HD3 H 1 1.385 0.004 . 2 . . . A 35 LYS HD3 . 18169 1 425 . 2 2 35 35 LYS HE2 H 1 2.764 0.002 . 2 . . . A 35 LYS HE2 . 18169 1 426 . 2 2 35 35 LYS HE3 H 1 2.764 0.002 . 2 . . . A 35 LYS HE3 . 18169 1 427 . 2 2 35 35 LYS C C 13 179.064 0.004 . 1 . . . A 35 LYS C . 18169 1 428 . 2 2 35 35 LYS CA C 13 60.179 0.018 . 1 . . . A 35 LYS CA . 18169 1 429 . 2 2 35 35 LYS CB C 13 31.735 0.018 . 1 . . . A 35 LYS CB . 18169 1 430 . 2 2 35 35 LYS CG C 13 24.500 0.004 . 1 . . . A 35 LYS CG . 18169 1 431 . 2 2 35 35 LYS CD C 13 29.613 0.017 . 1 . . . A 35 LYS CD . 18169 1 432 . 2 2 35 35 LYS CE C 13 41.892 0.021 . 1 . . . A 35 LYS CE . 18169 1 433 . 2 2 35 35 LYS N N 15 118.436 0.014 . 1 . . . A 35 LYS N . 18169 1 434 . 2 2 36 36 GLU H H 1 7.847 0.002 . 1 . . . A 36 GLU H . 18169 1 435 . 2 2 36 36 GLU HA H 1 3.880 0.002 . 1 . . . A 36 GLU HA . 18169 1 436 . 2 2 36 36 GLU HB2 H 1 2.205 0.006 . 2 . . . A 36 GLU HB2 . 18169 1 437 . 2 2 36 36 GLU HB3 H 1 2.205 0.006 . 2 . . . A 36 GLU HB3 . 18169 1 438 . 2 2 36 36 GLU HG2 H 1 2.500 0.002 . 2 . . . A 36 GLU HG2 . 18169 1 439 . 2 2 36 36 GLU HG3 H 1 2.449 0.001 . 2 . . . A 36 GLU HG3 . 18169 1 440 . 2 2 36 36 GLU C C 13 176.547 0.004 . 1 . . . A 36 GLU C . 18169 1 441 . 2 2 36 36 GLU CA C 13 60.031 0.010 . 1 . . . A 36 GLU CA . 18169 1 442 . 2 2 36 36 GLU CB C 13 29.501 0.006 . 1 . . . A 36 GLU CB . 18169 1 443 . 2 2 36 36 GLU CG C 13 36.692 0.004 . 1 . . . A 36 GLU CG . 18169 1 444 . 2 2 36 36 GLU N N 15 121.732 0.033 . 1 . . . A 36 GLU N . 18169 1 445 . 2 2 37 37 LEU H H 1 7.942 0.003 . 1 . . . A 37 LEU H . 18169 1 446 . 2 2 37 37 LEU HA H 1 2.596 0.002 . 1 . . . A 37 LEU HA . 18169 1 447 . 2 2 37 37 LEU HB2 H 1 1.673 0.006 . 2 . . . A 37 LEU HB2 . 18169 1 448 . 2 2 37 37 LEU HB3 H 1 1.142 0.005 . 2 . . . A 37 LEU HB3 . 18169 1 449 . 2 2 37 37 LEU HG H 1 1.315 0.003 . 1 . . . A 37 LEU HG . 18169 1 450 . 2 2 37 37 LEU HD11 H 1 0.907 0.005 . 2 . . . A 37 LEU HD11 . 18169 1 451 . 2 2 37 37 LEU HD12 H 1 0.907 0.005 . 2 . . . A 37 LEU HD12 . 18169 1 452 . 2 2 37 37 LEU HD13 H 1 0.907 0.005 . 2 . . . A 37 LEU HD13 . 18169 1 453 . 2 2 37 37 LEU HD21 H 1 0.863 0.004 . 2 . . . A 37 LEU HD21 . 18169 1 454 . 2 2 37 37 LEU HD22 H 1 0.863 0.004 . 2 . . . A 37 LEU HD22 . 18169 1 455 . 2 2 37 37 LEU HD23 H 1 0.863 0.004 . 2 . . . A 37 LEU HD23 . 18169 1 456 . 2 2 37 37 LEU C C 13 179.378 0.004 . 1 . . . A 37 LEU C . 18169 1 457 . 2 2 37 37 LEU CA C 13 59.481 0.021 . 1 . . . A 37 LEU CA . 18169 1 458 . 2 2 37 37 LEU CB C 13 42.054 0.020 . 1 . . . A 37 LEU CB . 18169 1 459 . 2 2 37 37 LEU CG C 13 28.541 0.005 . 1 . . . A 37 LEU CG . 18169 1 460 . 2 2 37 37 LEU CD1 C 13 27.838 0.030 . 2 . . . A 37 LEU CD1 . 18169 1 461 . 2 2 37 37 LEU CD2 C 13 24.089 0.004 . 2 . . . A 37 LEU CD2 . 18169 1 462 . 2 2 37 37 LEU N N 15 121.009 0.065 . 1 . . . A 37 LEU N . 18169 1 463 . 2 2 38 38 LEU H H 1 8.557 0.007 . 1 . . . A 38 LEU H . 18169 1 464 . 2 2 38 38 LEU HA H 1 3.806 0.002 . 1 . . . A 38 LEU HA . 18169 1 465 . 2 2 38 38 LEU HB2 H 1 1.898 0.002 . 2 . . . A 38 LEU HB2 . 18169 1 466 . 2 2 38 38 LEU HB3 H 1 1.668 0.004 . 2 . . . A 38 LEU HB3 . 18169 1 467 . 2 2 38 38 LEU HG H 1 1.902 0.002 . 1 . . . A 38 LEU HG . 18169 1 468 . 2 2 38 38 LEU HD11 H 1 1.004 0.002 . 2 . . . A 38 LEU HD11 . 18169 1 469 . 2 2 38 38 LEU HD12 H 1 1.004 0.002 . 2 . . . A 38 LEU HD12 . 18169 1 470 . 2 2 38 38 LEU HD13 H 1 1.004 0.002 . 2 . . . A 38 LEU HD13 . 18169 1 471 . 2 2 38 38 LEU HD21 H 1 0.927 0.004 . 2 . . . A 38 LEU HD21 . 18169 1 472 . 2 2 38 38 LEU HD22 H 1 0.927 0.004 . 2 . . . A 38 LEU HD22 . 18169 1 473 . 2 2 38 38 LEU HD23 H 1 0.927 0.004 . 2 . . . A 38 LEU HD23 . 18169 1 474 . 2 2 38 38 LEU C C 13 178.067 0.004 . 1 . . . A 38 LEU C . 18169 1 475 . 2 2 38 38 LEU CA C 13 59.310 0.014 . 1 . . . A 38 LEU CA . 18169 1 476 . 2 2 38 38 LEU CB C 13 42.583 0.021 . 1 . . . A 38 LEU CB . 18169 1 477 . 2 2 38 38 LEU CG C 13 28.132 0.019 . 1 . . . A 38 LEU CG . 18169 1 478 . 2 2 38 38 LEU CD1 C 13 25.271 0.019 . 2 . . . A 38 LEU CD1 . 18169 1 479 . 2 2 38 38 LEU CD2 C 13 25.937 0.023 . 2 . . . A 38 LEU CD2 . 18169 1 480 . 2 2 38 38 LEU N N 15 118.935 0.031 . 1 . . . A 38 LEU N . 18169 1 481 . 2 2 39 39 THR H H 1 7.943 0.004 . 1 . . . A 39 THR H . 18169 1 482 . 2 2 39 39 THR HA H 1 3.906 0.003 . 1 . . . A 39 THR HA . 18169 1 483 . 2 2 39 39 THR HB H 1 4.238 0.003 . 1 . . . A 39 THR HB . 18169 1 484 . 2 2 39 39 THR HG21 H 1 1.352 0.002 . 1 . . . A 39 THR HG21 . 18169 1 485 . 2 2 39 39 THR HG22 H 1 1.352 0.002 . 1 . . . A 39 THR HG22 . 18169 1 486 . 2 2 39 39 THR HG23 H 1 1.352 0.002 . 1 . . . A 39 THR HG23 . 18169 1 487 . 2 2 39 39 THR C C 13 176.481 0.004 . 1 . . . A 39 THR C . 18169 1 488 . 2 2 39 39 THR CA C 13 65.802 0.019 . 1 . . . A 39 THR CA . 18169 1 489 . 2 2 39 39 THR CB C 13 69.818 0.037 . 1 . . . A 39 THR CB . 18169 1 490 . 2 2 39 39 THR CG2 C 13 21.637 0.013 . 1 . . . A 39 THR CG2 . 18169 1 491 . 2 2 39 39 THR N N 15 108.236 0.009 . 1 . . . A 39 THR N . 18169 1 492 . 2 2 40 40 ARG H H 1 8.115 0.005 . 1 . . . A 40 ARG H . 18169 1 493 . 2 2 40 40 ARG HA H 1 4.421 0.004 . 1 . . . A 40 ARG HA . 18169 1 494 . 2 2 40 40 ARG HB2 H 1 2.184 0.004 . 2 . . . A 40 ARG HB2 . 18169 1 495 . 2 2 40 40 ARG HB3 H 1 2.001 0.001 . 2 . . . A 40 ARG HB3 . 18169 1 496 . 2 2 40 40 ARG HG2 H 1 1.843 0.003 . 2 . . . A 40 ARG HG2 . 18169 1 497 . 2 2 40 40 ARG HG3 H 1 2.003 0.003 . 2 . . . A 40 ARG HG3 . 18169 1 498 . 2 2 40 40 ARG HD2 H 1 3.403 0.002 . 2 . . . A 40 ARG HD2 . 18169 1 499 . 2 2 40 40 ARG HD3 H 1 3.403 0.003 . 2 . . . A 40 ARG HD3 . 18169 1 500 . 2 2 40 40 ARG C C 13 178.683 0.004 . 1 . . . A 40 ARG C . 18169 1 501 . 2 2 40 40 ARG CA C 13 57.663 0.008 . 1 . . . A 40 ARG CA . 18169 1 502 . 2 2 40 40 ARG CB C 13 31.414 0.004 . 1 . . . A 40 ARG CB . 18169 1 503 . 2 2 40 40 ARG CG C 13 28.170 0.031 . 1 . . . A 40 ARG CG . 18169 1 504 . 2 2 40 40 ARG CD C 13 43.455 0.004 . 1 . . . A 40 ARG CD . 18169 1 505 . 2 2 40 40 ARG N N 15 116.129 0.020 . 1 . . . A 40 ARG N . 18169 1 506 . 2 2 41 41 GLU H H 1 8.575 0.002 . 1 . . . A 41 GLU H . 18169 1 507 . 2 2 41 41 GLU HA H 1 4.936 0.003 . 1 . . . A 41 GLU HA . 18169 1 508 . 2 2 41 41 GLU HB2 H 1 2.415 0.003 . 2 . . . A 41 GLU HB2 . 18169 1 509 . 2 2 41 41 GLU HB3 H 1 2.169 0.001 . 2 . . . A 41 GLU HB3 . 18169 1 510 . 2 2 41 41 GLU HG2 H 1 2.622 0.007 . 2 . . . A 41 GLU HG2 . 18169 1 511 . 2 2 41 41 GLU C C 13 177.530 0.004 . 1 . . . A 41 GLU C . 18169 1 512 . 2 2 41 41 GLU CA C 13 55.064 0.004 . 1 . . . A 41 GLU CA . 18169 1 513 . 2 2 41 41 GLU CB C 13 29.960 0.004 . 1 . . . A 41 GLU CB . 18169 1 514 . 2 2 41 41 GLU CG C 13 35.785 0.004 . 1 . . . A 41 GLU CG . 18169 1 515 . 2 2 41 41 GLU N N 15 112.916 0.022 . 1 . . . A 41 GLU N . 18169 1 516 . 2 2 42 42 LEU H H 1 7.702 0.003 . 1 . . . A 42 LEU H . 18169 1 517 . 2 2 42 42 LEU HA H 1 5.487 0.001 . 1 . . . A 42 LEU HA . 18169 1 518 . 2 2 42 42 LEU HB2 H 1 2.128 0.006 . 2 . . . A 42 LEU HB2 . 18169 1 519 . 2 2 42 42 LEU HB3 H 1 1.925 0.009 . 2 . . . A 42 LEU HB3 . 18169 1 520 . 2 2 42 42 LEU HG H 1 1.545 0.003 . 1 . . . A 42 LEU HG . 18169 1 521 . 2 2 42 42 LEU HD11 H 1 0.871 0.002 . 2 . . . A 42 LEU HD11 . 18169 1 522 . 2 2 42 42 LEU HD12 H 1 0.871 0.002 . 2 . . . A 42 LEU HD12 . 18169 1 523 . 2 2 42 42 LEU HD13 H 1 0.871 0.002 . 2 . . . A 42 LEU HD13 . 18169 1 524 . 2 2 42 42 LEU HD21 H 1 0.705 0.003 . 2 . . . A 42 LEU HD21 . 18169 1 525 . 2 2 42 42 LEU HD22 H 1 0.705 0.003 . 2 . . . A 42 LEU HD22 . 18169 1 526 . 2 2 42 42 LEU HD23 H 1 0.705 0.003 . 2 . . . A 42 LEU HD23 . 18169 1 527 . 2 2 42 42 LEU C C 13 175.314 0.004 . 1 . . . A 42 LEU C . 18169 1 528 . 2 2 42 42 LEU CA C 13 53.188 0.010 . 1 . . . A 42 LEU CA . 18169 1 529 . 2 2 42 42 LEU CB C 13 44.150 0.004 . 1 . . . A 42 LEU CB . 18169 1 530 . 2 2 42 42 LEU CG C 13 26.529 0.056 . 1 . . . A 42 LEU CG . 18169 1 531 . 2 2 42 42 LEU CD1 C 13 24.389 0.018 . 2 . . . A 42 LEU CD1 . 18169 1 532 . 2 2 42 42 LEU CD2 C 13 26.715 0.028 . 2 . . . A 42 LEU CD2 . 18169 1 533 . 2 2 42 42 LEU N N 15 119.303 0.021 . 1 . . . A 42 LEU N . 18169 1 534 . 2 2 43 43 PRO HA H 1 4.348 0.003 . 1 . . . A 43 PRO HA . 18169 1 535 . 2 2 43 43 PRO HB2 H 1 2.414 0.002 . 2 . . . A 43 PRO HB2 . 18169 1 536 . 2 2 43 43 PRO HB3 H 1 2.030 0.002 . 2 . . . A 43 PRO HB3 . 18169 1 537 . 2 2 43 43 PRO HG2 H 1 2.103 0.004 . 2 . . . A 43 PRO HG2 . 18169 1 538 . 2 2 43 43 PRO HG3 H 1 2.060 0.004 . 2 . . . A 43 PRO HG3 . 18169 1 539 . 2 2 43 43 PRO HD2 H 1 3.741 0.003 . 2 . . . A 43 PRO HD2 . 18169 1 540 . 2 2 43 43 PRO HD3 H 1 3.228 0.005 . 2 . . . A 43 PRO HD3 . 18169 1 541 . 2 2 43 43 PRO C C 13 180.597 0.004 . 1 . . . A 43 PRO C . 18169 1 542 . 2 2 43 43 PRO CA C 13 66.109 0.047 . 1 . . . A 43 PRO CA . 18169 1 543 . 2 2 43 43 PRO CB C 13 31.101 0.002 . 1 . . . A 43 PRO CB . 18169 1 544 . 2 2 43 43 PRO CG C 13 28.532 0.004 . 1 . . . A 43 PRO CG . 18169 1 545 . 2 2 43 43 PRO CD C 13 51.592 0.013 . 1 . . . A 43 PRO CD . 18169 1 546 . 2 2 44 44 SER H H 1 9.807 0.006 . 1 . . . A 44 SER H . 18169 1 547 . 2 2 44 44 SER HA H 1 4.234 0.002 . 1 . . . A 44 SER HA . 18169 1 548 . 2 2 44 44 SER HB2 H 1 3.603 0.002 . 2 . . . A 44 SER HB2 . 18169 1 549 . 2 2 44 44 SER HB3 H 1 3.475 0.002 . 2 . . . A 44 SER HB3 . 18169 1 550 . 2 2 44 44 SER C C 13 175.196 0.004 . 1 . . . A 44 SER C . 18169 1 551 . 2 2 44 44 SER CA C 13 61.246 0.012 . 1 . . . A 44 SER CA . 18169 1 552 . 2 2 44 44 SER CB C 13 61.998 0.016 . 1 . . . A 44 SER CB . 18169 1 553 . 2 2 44 44 SER N N 15 116.769 0.024 . 1 . . . A 44 SER N . 18169 1 554 . 2 2 45 45 PHE H H 1 7.948 0.004 . 1 . . . A 45 PHE H . 18169 1 555 . 2 2 45 45 PHE HA H 1 4.473 0.004 . 1 . . . A 45 PHE HA . 18169 1 556 . 2 2 45 45 PHE HB2 H 1 3.387 0.005 . 2 . . . A 45 PHE HB2 . 18169 1 557 . 2 2 45 45 PHE HB3 H 1 2.866 0.004 . 2 . . . A 45 PHE HB3 . 18169 1 558 . 2 2 45 45 PHE HD1 H 1 7.192 0.002 . 3 . . . A 45 PHE HD1 . 18169 1 559 . 2 2 45 45 PHE HD2 H 1 7.192 0.002 . 3 . . . A 45 PHE HD2 . 18169 1 560 . 2 2 45 45 PHE HE1 H 1 7.007 0.002 . 3 . . . A 45 PHE HE1 . 18169 1 561 . 2 2 45 45 PHE HE2 H 1 7.007 0.002 . 3 . . . A 45 PHE HE2 . 18169 1 562 . 2 2 45 45 PHE C C 13 174.882 0.004 . 1 . . . A 45 PHE C . 18169 1 563 . 2 2 45 45 PHE CA C 13 58.921 0.019 . 1 . . . A 45 PHE CA . 18169 1 564 . 2 2 45 45 PHE CB C 13 39.673 0.029 . 1 . . . A 45 PHE CB . 18169 1 565 . 2 2 45 45 PHE CD1 C 13 131.831 0.109 . 3 . . . A 45 PHE CD1 . 18169 1 566 . 2 2 45 45 PHE CD2 C 13 131.831 0.109 . 3 . . . A 45 PHE CD2 . 18169 1 567 . 2 2 45 45 PHE CE1 C 13 130.737 0.004 . 3 . . . A 45 PHE CE1 . 18169 1 568 . 2 2 45 45 PHE CE2 C 13 130.737 0.004 . 3 . . . A 45 PHE CE2 . 18169 1 569 . 2 2 45 45 PHE N N 15 117.235 0.019 . 1 . . . A 45 PHE N . 18169 1 570 . 2 2 46 46 LEU H H 1 7.286 0.004 . 1 . . . A 46 LEU H . 18169 1 571 . 2 2 46 46 LEU HA H 1 4.466 0.003 . 1 . . . A 46 LEU HA . 18169 1 572 . 2 2 46 46 LEU HB2 H 1 1.820 0.002 . 2 . . . A 46 LEU HB2 . 18169 1 573 . 2 2 46 46 LEU HB3 H 1 1.820 0.002 . 2 . . . A 46 LEU HB3 . 18169 1 574 . 2 2 46 46 LEU HG H 1 1.941 0.004 . 1 . . . A 46 LEU HG . 18169 1 575 . 2 2 46 46 LEU HD11 H 1 1.053 0.002 . 2 . . . A 46 LEU HD11 . 18169 1 576 . 2 2 46 46 LEU HD12 H 1 1.053 0.002 . 2 . . . A 46 LEU HD12 . 18169 1 577 . 2 2 46 46 LEU HD13 H 1 1.053 0.002 . 2 . . . A 46 LEU HD13 . 18169 1 578 . 2 2 46 46 LEU HD21 H 1 0.977 0.002 . 2 . . . A 46 LEU HD21 . 18169 1 579 . 2 2 46 46 LEU HD22 H 1 0.977 0.002 . 2 . . . A 46 LEU HD22 . 18169 1 580 . 2 2 46 46 LEU HD23 H 1 0.977 0.002 . 2 . . . A 46 LEU HD23 . 18169 1 581 . 2 2 46 46 LEU C C 13 177.936 0.004 . 1 . . . A 46 LEU C . 18169 1 582 . 2 2 46 46 LEU CA C 13 55.362 0.011 . 1 . . . A 46 LEU CA . 18169 1 583 . 2 2 46 46 LEU CB C 13 43.589 0.016 . 1 . . . A 46 LEU CB . 18169 1 584 . 2 2 46 46 LEU CG C 13 26.754 0.043 . 1 . . . A 46 LEU CG . 18169 1 585 . 2 2 46 46 LEU CD1 C 13 25.634 0.027 . 2 . . . A 46 LEU CD1 . 18169 1 586 . 2 2 46 46 LEU CD2 C 13 24.211 0.024 . 2 . . . A 46 LEU CD2 . 18169 1 587 . 2 2 46 46 LEU N N 15 119.086 0.011 . 1 . . . A 46 LEU N . 18169 1 588 . 2 2 47 47 GLY H H 1 8.581 0.010 . 1 . . . A 47 GLY H . 18169 1 589 . 2 2 47 47 GLY HA2 H 1 4.235 0.003 . 2 . . . A 47 GLY HA2 . 18169 1 590 . 2 2 47 47 GLY HA3 H 1 4.007 0.002 . 2 . . . A 47 GLY HA3 . 18169 1 591 . 2 2 47 47 GLY C C 13 174.515 0.004 . 1 . . . A 47 GLY C . 18169 1 592 . 2 2 47 47 GLY CA C 13 44.786 0.007 . 1 . . . A 47 GLY CA . 18169 1 593 . 2 2 47 47 GLY N N 15 107.993 0.019 . 1 . . . A 47 GLY N . 18169 1 594 . 2 2 48 48 LYS H H 1 8.572 0.008 . 1 . . . A 48 LYS H . 18169 1 595 . 2 2 48 48 LYS HA H 1 4.259 0.005 . 1 . . . A 48 LYS HA . 18169 1 596 . 2 2 48 48 LYS HB2 H 1 1.962 0.003 . 2 . . . A 48 LYS HB2 . 18169 1 597 . 2 2 48 48 LYS HB3 H 1 1.855 0.002 . 2 . . . A 48 LYS HB3 . 18169 1 598 . 2 2 48 48 LYS HG2 H 1 1.549 0.009 . 2 . . . A 48 LYS HG2 . 18169 1 599 . 2 2 48 48 LYS HG3 H 1 1.549 0.009 . 2 . . . A 48 LYS HG3 . 18169 1 600 . 2 2 48 48 LYS HD2 H 1 1.759 0.004 . 2 . . . A 48 LYS HD2 . 18169 1 601 . 2 2 48 48 LYS HD3 H 1 1.760 0.001 . 2 . . . A 48 LYS HD3 . 18169 1 602 . 2 2 48 48 LYS HE2 H 1 3.069 0.004 . 2 . . . A 48 LYS HE2 . 18169 1 603 . 2 2 48 48 LYS HE3 H 1 3.069 0.004 . 2 . . . A 48 LYS HE3 . 18169 1 604 . 2 2 48 48 LYS C C 13 177.530 0.004 . 1 . . . A 48 LYS C . 18169 1 605 . 2 2 48 48 LYS CA C 13 57.526 0.015 . 1 . . . A 48 LYS CA . 18169 1 606 . 2 2 48 48 LYS CB C 13 33.116 0.042 . 1 . . . A 48 LYS CB . 18169 1 607 . 2 2 48 48 LYS CG C 13 25.199 0.004 . 1 . . . A 48 LYS CG . 18169 1 608 . 2 2 48 48 LYS CD C 13 29.173 0.004 . 1 . . . A 48 LYS CD . 18169 1 609 . 2 2 48 48 LYS CE C 13 42.452 0.004 . 1 . . . A 48 LYS CE . 18169 1 610 . 2 2 48 48 LYS N N 15 119.421 0.011 . 1 . . . A 48 LYS N . 18169 1 611 . 2 2 49 49 ARG H H 1 8.257 0.004 . 1 . . . A 49 ARG H . 18169 1 612 . 2 2 49 49 ARG HA H 1 4.542 0.003 . 1 . . . A 49 ARG HA . 18169 1 613 . 2 2 49 49 ARG HB2 H 1 1.974 0.002 . 2 . . . A 49 ARG HB2 . 18169 1 614 . 2 2 49 49 ARG HB3 H 1 1.828 0.001 . 2 . . . A 49 ARG HB3 . 18169 1 615 . 2 2 49 49 ARG HG2 H 1 1.785 0.008 . 2 . . . A 49 ARG HG2 . 18169 1 616 . 2 2 49 49 ARG HG3 H 1 1.652 0.001 . 2 . . . A 49 ARG HG3 . 18169 1 617 . 2 2 49 49 ARG HD2 H 1 3.319 0.003 . 2 . . . A 49 ARG HD2 . 18169 1 618 . 2 2 49 49 ARG HD3 H 1 3.233 0.003 . 2 . . . A 49 ARG HD3 . 18169 1 619 . 2 2 49 49 ARG C C 13 176.153 0.004 . 1 . . . A 49 ARG C . 18169 1 620 . 2 2 49 49 ARG CA C 13 56.050 0.019 . 1 . . . A 49 ARG CA . 18169 1 621 . 2 2 49 49 ARG CB C 13 30.697 0.039 . 1 . . . A 49 ARG CB . 18169 1 622 . 2 2 49 49 ARG CG C 13 27.222 0.017 . 1 . . . A 49 ARG CG . 18169 1 623 . 2 2 49 49 ARG CD C 13 43.546 0.030 . 1 . . . A 49 ARG CD . 18169 1 624 . 2 2 49 49 ARG N N 15 119.342 0.015 . 1 . . . A 49 ARG N . 18169 1 625 . 2 2 50 50 THR H H 1 8.302 0.006 . 1 . . . A 50 THR H . 18169 1 626 . 2 2 50 50 THR HA H 1 4.427 0.001 . 1 . . . A 50 THR HA . 18169 1 627 . 2 2 50 50 THR HB H 1 4.483 0.003 . 1 . . . A 50 THR HB . 18169 1 628 . 2 2 50 50 THR HG21 H 1 1.171 0.001 . 1 . . . A 50 THR HG21 . 18169 1 629 . 2 2 50 50 THR HG22 H 1 1.171 0.001 . 1 . . . A 50 THR HG22 . 18169 1 630 . 2 2 50 50 THR HG23 H 1 1.171 0.001 . 1 . . . A 50 THR HG23 . 18169 1 631 . 2 2 50 50 THR C C 13 173.885 0.004 . 1 . . . A 50 THR C . 18169 1 632 . 2 2 50 50 THR CA C 13 61.405 0.019 . 1 . . . A 50 THR CA . 18169 1 633 . 2 2 50 50 THR CB C 13 69.418 0.031 . 1 . . . A 50 THR CB . 18169 1 634 . 2 2 50 50 THR CG2 C 13 21.888 0.015 . 1 . . . A 50 THR CG2 . 18169 1 635 . 2 2 50 50 THR N N 15 114.007 0.033 . 1 . . . A 50 THR N . 18169 1 636 . 2 2 51 51 ASP H H 1 8.247 0.006 . 1 . . . A 51 ASP H . 18169 1 637 . 2 2 51 51 ASP HA H 1 4.754 0.004 . 1 . . . A 51 ASP HA . 18169 1 638 . 2 2 51 51 ASP HB2 H 1 2.957 0.002 . 2 . . . A 51 ASP HB2 . 18169 1 639 . 2 2 51 51 ASP HB3 H 1 2.851 0.003 . 2 . . . A 51 ASP HB3 . 18169 1 640 . 2 2 51 51 ASP C C 13 176.219 0.004 . 1 . . . A 51 ASP C . 18169 1 641 . 2 2 51 51 ASP CA C 13 53.177 0.004 . 1 . . . A 51 ASP CA . 18169 1 642 . 2 2 51 51 ASP CB C 13 41.895 0.037 . 1 . . . A 51 ASP CB . 18169 1 643 . 2 2 51 51 ASP N N 15 122.142 0.030 . 1 . . . A 51 ASP N . 18169 1 644 . 2 2 52 52 GLU H H 1 8.793 0.004 . 1 . . . A 52 GLU H . 18169 1 645 . 2 2 52 52 GLU HA H 1 4.175 0.001 . 1 . . . A 52 GLU HA . 18169 1 646 . 2 2 52 52 GLU HB2 H 1 2.166 0.003 . 2 . . . A 52 GLU HB2 . 18169 1 647 . 2 2 52 52 GLU HB3 H 1 2.130 0.001 . 2 . . . A 52 GLU HB3 . 18169 1 648 . 2 2 52 52 GLU HG2 H 1 2.417 0.002 . 2 . . . A 52 GLU HG2 . 18169 1 649 . 2 2 52 52 GLU HG3 H 1 2.417 0.002 . 2 . . . A 52 GLU HG3 . 18169 1 650 . 2 2 52 52 GLU C C 13 179.090 0.004 . 1 . . . A 52 GLU C . 18169 1 651 . 2 2 52 52 GLU CA C 13 60.124 0.017 . 1 . . . A 52 GLU CA . 18169 1 652 . 2 2 52 52 GLU CB C 13 29.667 0.037 . 1 . . . A 52 GLU CB . 18169 1 653 . 2 2 52 52 GLU CG C 13 36.467 0.006 . 1 . . . A 52 GLU CG . 18169 1 654 . 2 2 52 52 GLU N N 15 121.154 0.022 . 1 . . . A 52 GLU N . 18169 1 655 . 2 2 53 53 ALA H H 1 8.337 0.003 . 1 . . . A 53 ALA H . 18169 1 656 . 2 2 53 53 ALA HA H 1 4.239 0.002 . 1 . . . A 53 ALA HA . 18169 1 657 . 2 2 53 53 ALA HB1 H 1 1.515 0.003 . 1 . . . A 53 ALA HB1 . 18169 1 658 . 2 2 53 53 ALA HB2 H 1 1.515 0.003 . 1 . . . A 53 ALA HB2 . 18169 1 659 . 2 2 53 53 ALA HB3 H 1 1.515 0.003 . 1 . . . A 53 ALA HB3 . 18169 1 660 . 2 2 53 53 ALA C C 13 180.099 0.004 . 1 . . . A 53 ALA C . 18169 1 661 . 2 2 53 53 ALA CA C 13 54.944 0.056 . 1 . . . A 53 ALA CA . 18169 1 662 . 2 2 53 53 ALA CB C 13 18.005 0.017 . 1 . . . A 53 ALA CB . 18169 1 663 . 2 2 53 53 ALA N N 15 121.346 0.035 . 1 . . . A 53 ALA N . 18169 1 664 . 2 2 54 54 ALA H H 1 7.874 0.003 . 1 . . . A 54 ALA H . 18169 1 665 . 2 2 54 54 ALA HA H 1 4.095 0.003 . 1 . . . A 54 ALA HA . 18169 1 666 . 2 2 54 54 ALA HB1 H 1 1.315 0.003 . 1 . . . A 54 ALA HB1 . 18169 1 667 . 2 2 54 54 ALA HB2 H 1 1.315 0.003 . 1 . . . A 54 ALA HB2 . 18169 1 668 . 2 2 54 54 ALA HB3 H 1 1.315 0.003 . 1 . . . A 54 ALA HB3 . 18169 1 669 . 2 2 54 54 ALA C C 13 179.234 0.004 . 1 . . . A 54 ALA C . 18169 1 670 . 2 2 54 54 ALA CA C 13 54.446 0.014 . 1 . . . A 54 ALA CA . 18169 1 671 . 2 2 54 54 ALA CB C 13 18.547 0.026 . 1 . . . A 54 ALA CB . 18169 1 672 . 2 2 54 54 ALA N N 15 121.471 0.012 . 1 . . . A 54 ALA N . 18169 1 673 . 2 2 55 55 PHE H H 1 7.778 0.003 . 1 . . . A 55 PHE H . 18169 1 674 . 2 2 55 55 PHE HA H 1 4.250 0.002 . 1 . . . A 55 PHE HA . 18169 1 675 . 2 2 55 55 PHE HB2 H 1 3.175 0.004 . 2 . . . A 55 PHE HB2 . 18169 1 676 . 2 2 55 55 PHE HB3 H 1 3.039 0.001 . 2 . . . A 55 PHE HB3 . 18169 1 677 . 2 2 55 55 PHE HD1 H 1 7.218 0.003 . 3 . . . A 55 PHE HD1 . 18169 1 678 . 2 2 55 55 PHE HD2 H 1 7.218 0.003 . 3 . . . A 55 PHE HD2 . 18169 1 679 . 2 2 55 55 PHE HE1 H 1 7.219 0.001 . 3 . . . A 55 PHE HE1 . 18169 1 680 . 2 2 55 55 PHE HE2 H 1 7.219 0.001 . 3 . . . A 55 PHE HE2 . 18169 1 681 . 2 2 55 55 PHE C C 13 176.547 0.004 . 1 . . . A 55 PHE C . 18169 1 682 . 2 2 55 55 PHE CA C 13 60.572 0.008 . 1 . . . A 55 PHE CA . 18169 1 683 . 2 2 55 55 PHE CB C 13 39.096 0.007 . 1 . . . A 55 PHE CB . 18169 1 684 . 2 2 55 55 PHE CD1 C 13 131.699 0.045 . 3 . . . A 55 PHE CD1 . 18169 1 685 . 2 2 55 55 PHE CD2 C 13 131.699 0.045 . 3 . . . A 55 PHE CD2 . 18169 1 686 . 2 2 55 55 PHE CE1 C 13 131.098 0.004 . 3 . . . A 55 PHE CE1 . 18169 1 687 . 2 2 55 55 PHE CE2 C 13 131.098 0.004 . 3 . . . A 55 PHE CE2 . 18169 1 688 . 2 2 55 55 PHE N N 15 115.504 0.016 . 1 . . . A 55 PHE N . 18169 1 689 . 2 2 56 56 GLN H H 1 7.906 0.010 . 1 . . . A 56 GLN H . 18169 1 690 . 2 2 56 56 GLN HA H 1 3.984 0.001 . 1 . . . A 56 GLN HA . 18169 1 691 . 2 2 56 56 GLN HB2 H 1 2.241 0.010 . 2 . . . A 56 GLN HB2 . 18169 1 692 . 2 2 56 56 GLN HB3 H 1 2.217 0.010 . 2 . . . A 56 GLN HB3 . 18169 1 693 . 2 2 56 56 GLN HG2 H 1 2.513 0.001 . 2 . . . A 56 GLN HG2 . 18169 1 694 . 2 2 56 56 GLN HG3 H 1 2.513 0.001 . 2 . . . A 56 GLN HG3 . 18169 1 695 . 2 2 56 56 GLN HE21 H 1 7.516 0.003 . 2 . . . A 56 GLN HE21 . 18169 1 696 . 2 2 56 56 GLN HE22 H 1 6.933 0.001 . 2 . . . A 56 GLN HE22 . 18169 1 697 . 2 2 56 56 GLN C C 13 178.002 0.004 . 1 . . . A 56 GLN C . 18169 1 698 . 2 2 56 56 GLN CA C 13 59.169 0.079 . 1 . . . A 56 GLN CA . 18169 1 699 . 2 2 56 56 GLN CB C 13 28.437 0.008 . 1 . . . A 56 GLN CB . 18169 1 700 . 2 2 56 56 GLN CG C 13 33.796 0.024 . 1 . . . A 56 GLN CG . 18169 1 701 . 2 2 56 56 GLN N N 15 119.642 0.021 . 1 . . . A 56 GLN N . 18169 1 702 . 2 2 56 56 GLN NE2 N 15 112.291 0.002 . 1 . . . A 56 GLN NE2 . 18169 1 703 . 2 2 57 57 LYS H H 1 8.111 0.008 . 1 . . . A 57 LYS H . 18169 1 704 . 2 2 57 57 LYS HA H 1 4.138 0.002 . 1 . . . A 57 LYS HA . 18169 1 705 . 2 2 57 57 LYS HB2 H 1 1.873 0.005 . 2 . . . A 57 LYS HB2 . 18169 1 706 . 2 2 57 57 LYS HB3 H 1 1.921 0.006 . 2 . . . A 57 LYS HB3 . 18169 1 707 . 2 2 57 57 LYS HG2 H 1 1.378 0.001 . 2 . . . A 57 LYS HG2 . 18169 1 708 . 2 2 57 57 LYS HG3 H 1 1.462 0.002 . 2 . . . A 57 LYS HG3 . 18169 1 709 . 2 2 57 57 LYS HD2 H 1 1.654 0.002 . 2 . . . A 57 LYS HD2 . 18169 1 710 . 2 2 57 57 LYS HD3 H 1 1.777 0.005 . 2 . . . A 57 LYS HD3 . 18169 1 711 . 2 2 57 57 LYS HE2 H 1 3.040 0.003 . 2 . . . A 57 LYS HE2 . 18169 1 712 . 2 2 57 57 LYS HE3 H 1 3.040 0.003 . 2 . . . A 57 LYS HE3 . 18169 1 713 . 2 2 57 57 LYS C C 13 178.225 0.004 . 1 . . . A 57 LYS C . 18169 1 714 . 2 2 57 57 LYS CA C 13 58.736 0.019 . 1 . . . A 57 LYS CA . 18169 1 715 . 2 2 57 57 LYS CB C 13 31.533 0.029 . 1 . . . A 57 LYS CB . 18169 1 716 . 2 2 57 57 LYS CG C 13 25.114 0.031 . 1 . . . A 57 LYS CG . 18169 1 717 . 2 2 57 57 LYS CD C 13 28.629 0.021 . 1 . . . A 57 LYS CD . 18169 1 718 . 2 2 57 57 LYS CE C 13 42.455 0.004 . 1 . . . A 57 LYS CE . 18169 1 719 . 2 2 57 57 LYS N N 15 121.784 0.023 . 1 . . . A 57 LYS N . 18169 1 720 . 2 2 58 58 LEU H H 1 8.347 0.012 . 1 . . . A 58 LEU H . 18169 1 721 . 2 2 58 58 LEU HA H 1 3.871 0.002 . 1 . . . A 58 LEU HA . 18169 1 722 . 2 2 58 58 LEU HB2 H 1 1.744 0.002 . 2 . . . A 58 LEU HB2 . 18169 1 723 . 2 2 58 58 LEU HB3 H 1 1.572 0.003 . 2 . . . A 58 LEU HB3 . 18169 1 724 . 2 2 58 58 LEU HG H 1 1.389 0.003 . 1 . . . A 58 LEU HG . 18169 1 725 . 2 2 58 58 LEU HD11 H 1 0.866 0.002 . 2 . . . A 58 LEU HD11 . 18169 1 726 . 2 2 58 58 LEU HD12 H 1 0.866 0.002 . 2 . . . A 58 LEU HD12 . 18169 1 727 . 2 2 58 58 LEU HD13 H 1 0.866 0.002 . 2 . . . A 58 LEU HD13 . 18169 1 728 . 2 2 58 58 LEU HD21 H 1 0.804 0.003 . 2 . . . A 58 LEU HD21 . 18169 1 729 . 2 2 58 58 LEU HD22 H 1 0.804 0.003 . 2 . . . A 58 LEU HD22 . 18169 1 730 . 2 2 58 58 LEU HD23 H 1 0.804 0.003 . 2 . . . A 58 LEU HD23 . 18169 1 731 . 2 2 58 58 LEU C C 13 177.884 0.004 . 1 . . . A 58 LEU C . 18169 1 732 . 2 2 58 58 LEU CA C 13 58.540 0.024 . 1 . . . A 58 LEU CA . 18169 1 733 . 2 2 58 58 LEU CB C 13 41.893 0.027 . 1 . . . A 58 LEU CB . 18169 1 734 . 2 2 58 58 LEU CG C 13 27.123 0.019 . 1 . . . A 58 LEU CG . 18169 1 735 . 2 2 58 58 LEU CD1 C 13 25.198 0.026 . 2 . . . A 58 LEU CD1 . 18169 1 736 . 2 2 58 58 LEU CD2 C 13 26.279 0.033 . 2 . . . A 58 LEU CD2 . 18169 1 737 . 2 2 58 58 LEU N N 15 120.113 0.017 . 1 . . . A 58 LEU N . 18169 1 738 . 2 2 59 59 MET H H 1 7.958 0.004 . 1 . . . A 59 MET H . 18169 1 739 . 2 2 59 59 MET HA H 1 3.873 0.002 . 1 . . . A 59 MET HA . 18169 1 740 . 2 2 59 59 MET HB2 H 1 2.174 0.003 . 2 . . . A 59 MET HB2 . 18169 1 741 . 2 2 59 59 MET HB3 H 1 1.856 0.002 . 2 . . . A 59 MET HB3 . 18169 1 742 . 2 2 59 59 MET HG2 H 1 2.531 0.002 . 2 . . . A 59 MET HG2 . 18169 1 743 . 2 2 59 59 MET HG3 H 1 2.432 0.001 . 2 . . . A 59 MET HG3 . 18169 1 744 . 2 2 59 59 MET HE1 H 1 1.903 0.001 . 1 . . . A 59 MET HE1 . 18169 1 745 . 2 2 59 59 MET HE2 H 1 1.903 0.001 . 1 . . . A 59 MET HE2 . 18169 1 746 . 2 2 59 59 MET HE3 H 1 1.903 0.001 . 1 . . . A 59 MET HE3 . 18169 1 747 . 2 2 59 59 MET C C 13 177.504 0.004 . 1 . . . A 59 MET C . 18169 1 748 . 2 2 59 59 MET CA C 13 58.578 0.027 . 1 . . . A 59 MET CA . 18169 1 749 . 2 2 59 59 MET CB C 13 30.993 0.024 . 1 . . . A 59 MET CB . 18169 1 750 . 2 2 59 59 MET CG C 13 32.697 0.027 . 1 . . . A 59 MET CG . 18169 1 751 . 2 2 59 59 MET CE C 13 17.342 0.014 . 1 . . . A 59 MET CE . 18169 1 752 . 2 2 59 59 MET N N 15 116.081 0.008 . 1 . . . A 59 MET N . 18169 1 753 . 2 2 60 60 SER H H 1 8.075 0.003 . 1 . . . A 60 SER H . 18169 1 754 . 2 2 60 60 SER HA H 1 4.243 0.001 . 1 . . . A 60 SER HA . 18169 1 755 . 2 2 60 60 SER HB2 H 1 4.067 0.001 . 2 . . . A 60 SER HB2 . 18169 1 756 . 2 2 60 60 SER HB3 H 1 4.067 0.001 . 2 . . . A 60 SER HB3 . 18169 1 757 . 2 2 60 60 SER C C 13 177.268 0.004 . 1 . . . A 60 SER C . 18169 1 758 . 2 2 60 60 SER CA C 13 61.736 0.018 . 1 . . . A 60 SER CA . 18169 1 759 . 2 2 60 60 SER CB C 13 62.978 0.021 . 1 . . . A 60 SER CB . 18169 1 760 . 2 2 60 60 SER N N 15 112.647 0.010 . 1 . . . A 60 SER N . 18169 1 761 . 2 2 61 61 ASN H H 1 8.333 0.003 . 1 . . . A 61 ASN H . 18169 1 762 . 2 2 61 61 ASN HA H 1 4.453 0.004 . 1 . . . A 61 ASN HA . 18169 1 763 . 2 2 61 61 ASN HB2 H 1 3.149 0.004 . 2 . . . A 61 ASN HB2 . 18169 1 764 . 2 2 61 61 ASN HB3 H 1 2.894 0.004 . 2 . . . A 61 ASN HB3 . 18169 1 765 . 2 2 61 61 ASN HD21 H 1 7.403 0.005 . 2 . . . A 61 ASN HD21 . 18169 1 766 . 2 2 61 61 ASN HD22 H 1 6.625 0.006 . 2 . . . A 61 ASN HD22 . 18169 1 767 . 2 2 61 61 ASN C C 13 177.359 0.004 . 1 . . . A 61 ASN C . 18169 1 768 . 2 2 61 61 ASN CA C 13 55.005 0.018 . 1 . . . A 61 ASN CA . 18169 1 769 . 2 2 61 61 ASN CB C 13 37.099 0.025 . 1 . . . A 61 ASN CB . 18169 1 770 . 2 2 61 61 ASN N N 15 120.093 0.025 . 1 . . . A 61 ASN N . 18169 1 771 . 2 2 61 61 ASN ND2 N 15 108.014 0.001 . 1 . . . A 61 ASN ND2 . 18169 1 772 . 2 2 62 62 LEU H H 1 7.714 0.004 . 1 . . . A 62 LEU H . 18169 1 773 . 2 2 62 62 LEU HA H 1 4.332 0.006 . 1 . . . A 62 LEU HA . 18169 1 774 . 2 2 62 62 LEU HB2 H 1 1.791 0.004 . 2 . . . A 62 LEU HB2 . 18169 1 775 . 2 2 62 62 LEU HB3 H 1 1.271 0.006 . 2 . . . A 62 LEU HB3 . 18169 1 776 . 2 2 62 62 LEU HG H 1 2.050 0.002 . 1 . . . A 62 LEU HG . 18169 1 777 . 2 2 62 62 LEU HD11 H 1 0.925 0.003 . 2 . . . A 62 LEU HD11 . 18169 1 778 . 2 2 62 62 LEU HD12 H 1 0.925 0.003 . 2 . . . A 62 LEU HD12 . 18169 1 779 . 2 2 62 62 LEU HD13 H 1 0.925 0.003 . 2 . . . A 62 LEU HD13 . 18169 1 780 . 2 2 62 62 LEU HD21 H 1 0.288 0.001 . 2 . . . A 62 LEU HD21 . 18169 1 781 . 2 2 62 62 LEU HD22 H 1 0.288 0.001 . 2 . . . A 62 LEU HD22 . 18169 1 782 . 2 2 62 62 LEU HD23 H 1 0.288 0.001 . 2 . . . A 62 LEU HD23 . 18169 1 783 . 2 2 62 62 LEU C C 13 178.644 0.004 . 1 . . . A 62 LEU C . 18169 1 784 . 2 2 62 62 LEU CA C 13 55.209 0.031 . 1 . . . A 62 LEU CA . 18169 1 785 . 2 2 62 62 LEU CB C 13 44.281 0.031 . 1 . . . A 62 LEU CB . 18169 1 786 . 2 2 62 62 LEU CG C 13 25.828 0.023 . 1 . . . A 62 LEU CG . 18169 1 787 . 2 2 62 62 LEU CD1 C 13 21.236 0.021 . 2 . . . A 62 LEU CD1 . 18169 1 788 . 2 2 62 62 LEU CD2 C 13 24.407 0.021 . 2 . . . A 62 LEU CD2 . 18169 1 789 . 2 2 62 62 LEU N N 15 114.771 0.045 . 1 . . . A 62 LEU N . 18169 1 790 . 2 2 63 63 ASP H H 1 7.869 0.003 . 1 . . . A 63 ASP H . 18169 1 791 . 2 2 63 63 ASP HA H 1 4.777 0.002 . 1 . . . A 63 ASP HA . 18169 1 792 . 2 2 63 63 ASP HB2 H 1 2.930 0.001 . 2 . . . A 63 ASP HB2 . 18169 1 793 . 2 2 63 63 ASP HB3 H 1 2.443 0.004 . 2 . . . A 63 ASP HB3 . 18169 1 794 . 2 2 63 63 ASP C C 13 177.058 0.004 . 1 . . . A 63 ASP C . 18169 1 795 . 2 2 63 63 ASP CA C 13 53.154 0.004 . 1 . . . A 63 ASP CA . 18169 1 796 . 2 2 63 63 ASP CB C 13 39.398 0.048 . 1 . . . A 63 ASP CB . 18169 1 797 . 2 2 63 63 ASP N N 15 117.571 0.023 . 1 . . . A 63 ASP N . 18169 1 798 . 2 2 64 64 SER H H 1 8.253 0.002 . 1 . . . A 64 SER H . 18169 1 799 . 2 2 64 64 SER HA H 1 4.350 0.002 . 1 . . . A 64 SER HA . 18169 1 800 . 2 2 64 64 SER HB2 H 1 4.063 0.002 . 2 . . . A 64 SER HB2 . 18169 1 801 . 2 2 64 64 SER HB3 H 1 3.996 0.002 . 2 . . . A 64 SER HB3 . 18169 1 802 . 2 2 64 64 SER C C 13 175.668 0.004 . 1 . . . A 64 SER C . 18169 1 803 . 2 2 64 64 SER CA C 13 61.538 0.009 . 1 . . . A 64 SER CA . 18169 1 804 . 2 2 64 64 SER CB C 13 64.222 0.027 . 1 . . . A 64 SER CB . 18169 1 805 . 2 2 64 64 SER N N 15 124.019 0.023 . 1 . . . A 64 SER N . 18169 1 806 . 2 2 65 65 ASN H H 1 8.016 0.004 . 1 . . . A 65 ASN H . 18169 1 807 . 2 2 65 65 ASN HA H 1 4.853 0.005 . 1 . . . A 65 ASN HA . 18169 1 808 . 2 2 65 65 ASN HB2 H 1 3.305 0.002 . 2 . . . A 65 ASN HB2 . 18169 1 809 . 2 2 65 65 ASN HB3 H 1 2.822 0.004 . 2 . . . A 65 ASN HB3 . 18169 1 810 . 2 2 65 65 ASN HD21 H 1 7.851 0.004 . 2 . . . A 65 ASN HD21 . 18169 1 811 . 2 2 65 65 ASN HD22 H 1 6.652 0.006 . 2 . . . A 65 ASN HD22 . 18169 1 812 . 2 2 65 65 ASN C C 13 174.777 0.004 . 1 . . . A 65 ASN C . 18169 1 813 . 2 2 65 65 ASN CA C 13 51.925 0.014 . 1 . . . A 65 ASN CA . 18169 1 814 . 2 2 65 65 ASN CB C 13 37.362 0.023 . 1 . . . A 65 ASN CB . 18169 1 815 . 2 2 65 65 ASN N N 15 115.165 0.009 . 1 . . . A 65 ASN N . 18169 1 816 . 2 2 65 65 ASN ND2 N 15 113.347 0.002 . 1 . . . A 65 ASN ND2 . 18169 1 817 . 2 2 66 66 ARG H H 1 7.785 0.002 . 1 . . . A 66 ARG H . 18169 1 818 . 2 2 66 66 ARG HA H 1 4.161 0.003 . 1 . . . A 66 ARG HA . 18169 1 819 . 2 2 66 66 ARG HB2 H 1 2.049 0.002 . 2 . . . A 66 ARG HB2 . 18169 1 820 . 2 2 66 66 ARG HB3 H 1 2.050 0.002 . 2 . . . A 66 ARG HB3 . 18169 1 821 . 2 2 66 66 ARG HG2 H 1 1.702 0.002 . 2 . . . A 66 ARG HG2 . 18169 1 822 . 2 2 66 66 ARG HG3 H 1 1.622 0.006 . 2 . . . A 66 ARG HG3 . 18169 1 823 . 2 2 66 66 ARG HD2 H 1 3.340 0.004 . 2 . . . A 66 ARG HD2 . 18169 1 824 . 2 2 66 66 ARG HD3 H 1 3.250 0.001 . 2 . . . A 66 ARG HD3 . 18169 1 825 . 2 2 66 66 ARG C C 13 175.563 0.004 . 1 . . . A 66 ARG C . 18169 1 826 . 2 2 66 66 ARG CA C 13 57.107 0.021 . 1 . . . A 66 ARG CA . 18169 1 827 . 2 2 66 66 ARG CB C 13 26.822 0.005 . 1 . . . A 66 ARG CB . 18169 1 828 . 2 2 66 66 ARG CG C 13 27.493 0.009 . 1 . . . A 66 ARG CG . 18169 1 829 . 2 2 66 66 ARG CD C 13 43.456 0.008 . 1 . . . A 66 ARG CD . 18169 1 830 . 2 2 66 66 ARG N N 15 115.624 0.022 . 1 . . . A 66 ARG N . 18169 1 831 . 2 2 67 67 ASP H H 1 8.601 0.003 . 1 . . . A 67 ASP H . 18169 1 832 . 2 2 67 67 ASP HA H 1 4.813 0.002 . 1 . . . A 67 ASP HA . 18169 1 833 . 2 2 67 67 ASP HB2 H 1 3.186 0.004 . 2 . . . A 67 ASP HB2 . 18169 1 834 . 2 2 67 67 ASP HB3 H 1 2.425 0.002 . 2 . . . A 67 ASP HB3 . 18169 1 835 . 2 2 67 67 ASP C C 13 177.281 0.004 . 1 . . . A 67 ASP C . 18169 1 836 . 2 2 67 67 ASP CA C 13 52.976 0.064 . 1 . . . A 67 ASP CA . 18169 1 837 . 2 2 67 67 ASP CB C 13 40.916 0.035 . 1 . . . A 67 ASP CB . 18169 1 838 . 2 2 67 67 ASP N N 15 119.132 0.021 . 1 . . . A 67 ASP N . 18169 1 839 . 2 2 68 68 ASN H H 1 10.398 0.002 . 1 . . . A 68 ASN H . 18169 1 840 . 2 2 68 68 ASN HA H 1 4.139 0.007 . 1 . . . A 68 ASN HA . 18169 1 841 . 2 2 68 68 ASN HB2 H 1 3.200 0.003 . 2 . . . A 68 ASN HB2 . 18169 1 842 . 2 2 68 68 ASN HB3 H 1 3.124 0.001 . 2 . . . A 68 ASN HB3 . 18169 1 843 . 2 2 68 68 ASN HD21 H 1 7.501 0.003 . 2 . . . A 68 ASN HD21 . 18169 1 844 . 2 2 68 68 ASN HD22 H 1 6.837 0.002 . 2 . . . A 68 ASN HD22 . 18169 1 845 . 2 2 68 68 ASN C C 13 173.204 0.004 . 1 . . . A 68 ASN C . 18169 1 846 . 2 2 68 68 ASN CA C 13 55.276 0.065 . 1 . . . A 68 ASN CA . 18169 1 847 . 2 2 68 68 ASN CB C 13 38.136 0.010 . 1 . . . A 68 ASN CB . 18169 1 848 . 2 2 68 68 ASN N N 15 116.933 0.020 . 1 . . . A 68 ASN N . 18169 1 849 . 2 2 68 68 ASN ND2 N 15 113.030 0.012 . 1 . . . A 68 ASN ND2 . 18169 1 850 . 2 2 69 69 GLU H H 1 7.846 0.012 . 1 . . . A 69 GLU H . 18169 1 851 . 2 2 69 69 GLU HA H 1 4.826 0.007 . 1 . . . A 69 GLU HA . 18169 1 852 . 2 2 69 69 GLU HB2 H 1 1.477 0.004 . 2 . . . A 69 GLU HB2 . 18169 1 853 . 2 2 69 69 GLU HB3 H 1 2.152 0.004 . 2 . . . A 69 GLU HB3 . 18169 1 854 . 2 2 69 69 GLU HG2 H 1 2.140 0.001 . 2 . . . A 69 GLU HG2 . 18169 1 855 . 2 2 69 69 GLU HG3 H 1 2.182 0.004 . 2 . . . A 69 GLU HG3 . 18169 1 856 . 2 2 69 69 GLU C C 13 175.445 0.004 . 1 . . . A 69 GLU C . 18169 1 857 . 2 2 69 69 GLU CA C 13 55.030 0.004 . 1 . . . A 69 GLU CA . 18169 1 858 . 2 2 69 69 GLU CB C 13 35.648 0.054 . 1 . . . A 69 GLU CB . 18169 1 859 . 2 2 69 69 GLU CG C 13 36.027 0.004 . 1 . . . A 69 GLU CG . 18169 1 860 . 2 2 69 69 GLU N N 15 116.046 0.015 . 1 . . . A 69 GLU N . 18169 1 861 . 2 2 70 70 VAL H H 1 9.995 0.003 . 1 . . . A 70 VAL H . 18169 1 862 . 2 2 70 70 VAL HA H 1 5.285 0.005 . 1 . . . A 70 VAL HA . 18169 1 863 . 2 2 70 70 VAL HB H 1 2.240 0.008 . 1 . . . A 70 VAL HB . 18169 1 864 . 2 2 70 70 VAL HG11 H 1 1.187 0.002 . 2 . . . A 70 VAL HG11 . 18169 1 865 . 2 2 70 70 VAL HG12 H 1 1.187 0.002 . 2 . . . A 70 VAL HG12 . 18169 1 866 . 2 2 70 70 VAL HG13 H 1 1.187 0.002 . 2 . . . A 70 VAL HG13 . 18169 1 867 . 2 2 70 70 VAL HG21 H 1 0.873 0.002 . 2 . . . A 70 VAL HG21 . 18169 1 868 . 2 2 70 70 VAL HG22 H 1 0.873 0.002 . 2 . . . A 70 VAL HG22 . 18169 1 869 . 2 2 70 70 VAL HG23 H 1 0.873 0.002 . 2 . . . A 70 VAL HG23 . 18169 1 870 . 2 2 70 70 VAL C C 13 176.075 0.004 . 1 . . . A 70 VAL C . 18169 1 871 . 2 2 70 70 VAL CA C 13 61.402 0.007 . 1 . . . A 70 VAL CA . 18169 1 872 . 2 2 70 70 VAL CB C 13 33.528 0.004 . 1 . . . A 70 VAL CB . 18169 1 873 . 2 2 70 70 VAL CG1 C 13 21.745 0.012 . 2 . . . A 70 VAL CG1 . 18169 1 874 . 2 2 70 70 VAL CG2 C 13 22.726 0.025 . 2 . . . A 70 VAL CG2 . 18169 1 875 . 2 2 70 70 VAL N N 15 126.190 0.019 . 1 . . . A 70 VAL N . 18169 1 876 . 2 2 71 71 ASP H H 1 9.118 0.004 . 1 . . . A 71 ASP H . 18169 1 877 . 2 2 71 71 ASP HA H 1 5.164 0.005 . 1 . . . A 71 ASP HA . 18169 1 878 . 2 2 71 71 ASP HB2 H 1 3.575 0.003 . 2 . . . A 71 ASP HB2 . 18169 1 879 . 2 2 71 71 ASP HB3 H 1 2.753 0.004 . 2 . . . A 71 ASP HB3 . 18169 1 880 . 2 2 71 71 ASP C C 13 175.144 0.004 . 1 . . . A 71 ASP C . 18169 1 881 . 2 2 71 71 ASP CA C 13 52.546 0.021 . 1 . . . A 71 ASP CA . 18169 1 882 . 2 2 71 71 ASP CB C 13 41.539 0.004 . 1 . . . A 71 ASP CB . 18169 1 883 . 2 2 71 71 ASP N N 15 128.739 0.015 . 1 . . . A 71 ASP N . 18169 1 884 . 2 2 72 72 PHE H H 1 8.954 0.005 . 1 . . . A 72 PHE H . 18169 1 885 . 2 2 72 72 PHE HA H 1 3.245 0.006 . 1 . . . A 72 PHE HA . 18169 1 886 . 2 2 72 72 PHE HB2 H 1 2.759 0.005 . 2 . . . A 72 PHE HB2 . 18169 1 887 . 2 2 72 72 PHE HB3 H 1 2.516 0.006 . 2 . . . A 72 PHE HB3 . 18169 1 888 . 2 2 72 72 PHE HD1 H 1 6.180 0.016 . 3 . . . A 72 PHE HD1 . 18169 1 889 . 2 2 72 72 PHE HD2 H 1 6.180 0.016 . 3 . . . A 72 PHE HD2 . 18169 1 890 . 2 2 72 72 PHE HE1 H 1 7.002 0.003 . 3 . . . A 72 PHE HE1 . 18169 1 891 . 2 2 72 72 PHE HE2 H 1 7.002 0.003 . 3 . . . A 72 PHE HE2 . 18169 1 892 . 2 2 72 72 PHE HZ H 1 6.921 0.003 . 1 . . . A 72 PHE HZ . 18169 1 893 . 2 2 72 72 PHE C C 13 177.582 0.004 . 1 . . . A 72 PHE C . 18169 1 894 . 2 2 72 72 PHE CA C 13 63.658 0.047 . 1 . . . A 72 PHE CA . 18169 1 895 . 2 2 72 72 PHE CB C 13 39.248 0.038 . 1 . . . A 72 PHE CB . 18169 1 896 . 2 2 72 72 PHE CD1 C 13 131.832 0.004 . 3 . . . A 72 PHE CD1 . 18169 1 897 . 2 2 72 72 PHE CD2 C 13 131.832 0.004 . 3 . . . A 72 PHE CD2 . 18169 1 898 . 2 2 72 72 PHE CE1 C 13 130.724 0.043 . 3 . . . A 72 PHE CE1 . 18169 1 899 . 2 2 72 72 PHE CE2 C 13 130.724 0.043 . 3 . . . A 72 PHE CE2 . 18169 1 900 . 2 2 72 72 PHE CZ C 13 127.809 0.046 . 1 . . . A 72 PHE CZ . 18169 1 901 . 2 2 72 72 PHE N N 15 118.035 0.022 . 1 . . . A 72 PHE N . 18169 1 902 . 2 2 73 73 GLN H H 1 8.271 0.003 . 1 . . . A 73 GLN H . 18169 1 903 . 2 2 73 73 GLN HA H 1 3.949 0.003 . 1 . . . A 73 GLN HA . 18169 1 904 . 2 2 73 73 GLN HB2 H 1 2.369 0.004 . 2 . . . A 73 GLN HB2 . 18169 1 905 . 2 2 73 73 GLN HB3 H 1 2.272 0.003 . 2 . . . A 73 GLN HB3 . 18169 1 906 . 2 2 73 73 GLN HG2 H 1 2.421 0.006 . 2 . . . A 73 GLN HG2 . 18169 1 907 . 2 2 73 73 GLN HE21 H 1 7.642 0.004 . 2 . . . A 73 GLN HE21 . 18169 1 908 . 2 2 73 73 GLN HE22 H 1 6.791 0.002 . 2 . . . A 73 GLN HE22 . 18169 1 909 . 2 2 73 73 GLN C C 13 178.080 0.004 . 1 . . . A 73 GLN C . 18169 1 910 . 2 2 73 73 GLN CA C 13 60.767 0.024 . 1 . . . A 73 GLN CA . 18169 1 911 . 2 2 73 73 GLN CB C 13 28.410 0.004 . 1 . . . A 73 GLN CB . 18169 1 912 . 2 2 73 73 GLN CG C 13 34.324 0.008 . 1 . . . A 73 GLN CG . 18169 1 913 . 2 2 73 73 GLN N N 15 120.928 0.013 . 1 . . . A 73 GLN N . 18169 1 914 . 2 2 73 73 GLN NE2 N 15 111.925 0.014 . 1 . . . A 73 GLN NE2 . 18169 1 915 . 2 2 74 74 GLU H H 1 8.805 0.002 . 1 . . . A 74 GLU H . 18169 1 916 . 2 2 74 74 GLU HA H 1 4.317 0.003 . 1 . . . A 74 GLU HA . 18169 1 917 . 2 2 74 74 GLU HB2 H 1 2.135 0.003 . 2 . . . A 74 GLU HB2 . 18169 1 918 . 2 2 74 74 GLU HB3 H 1 2.130 0.004 . 2 . . . A 74 GLU HB3 . 18169 1 919 . 2 2 74 74 GLU HG2 H 1 2.611 0.004 . 2 . . . A 74 GLU HG2 . 18169 1 920 . 2 2 74 74 GLU HG3 H 1 2.928 0.003 . 2 . . . A 74 GLU HG3 . 18169 1 921 . 2 2 74 74 GLU C C 13 180.729 0.004 . 1 . . . A 74 GLU C . 18169 1 922 . 2 2 74 74 GLU CA C 13 58.691 0.038 . 1 . . . A 74 GLU CA . 18169 1 923 . 2 2 74 74 GLU CB C 13 30.677 0.006 . 1 . . . A 74 GLU CB . 18169 1 924 . 2 2 74 74 GLU CG C 13 37.040 0.022 . 1 . . . A 74 GLU CG . 18169 1 925 . 2 2 74 74 GLU N N 15 119.069 0.015 . 1 . . . A 74 GLU N . 18169 1 926 . 2 2 75 75 TYR H H 1 8.909 0.005 . 1 . . . A 75 TYR H . 18169 1 927 . 2 2 75 75 TYR HA H 1 4.387 0.003 . 1 . . . A 75 TYR HA . 18169 1 928 . 2 2 75 75 TYR HB2 H 1 3.268 0.007 . 2 . . . A 75 TYR HB2 . 18169 1 929 . 2 2 75 75 TYR HB3 H 1 3.027 0.008 . 2 . . . A 75 TYR HB3 . 18169 1 930 . 2 2 75 75 TYR HD1 H 1 6.922 0.003 . 3 . . . A 75 TYR HD1 . 18169 1 931 . 2 2 75 75 TYR HD2 H 1 6.922 0.003 . 3 . . . A 75 TYR HD2 . 18169 1 932 . 2 2 75 75 TYR HE1 H 1 6.708 0.006 . 3 . . . A 75 TYR HE1 . 18169 1 933 . 2 2 75 75 TYR HE2 H 1 6.708 0.006 . 3 . . . A 75 TYR HE2 . 18169 1 934 . 2 2 75 75 TYR C C 13 176.062 0.004 . 1 . . . A 75 TYR C . 18169 1 935 . 2 2 75 75 TYR CA C 13 60.281 0.026 . 1 . . . A 75 TYR CA . 18169 1 936 . 2 2 75 75 TYR CB C 13 38.395 0.004 . 1 . . . A 75 TYR CB . 18169 1 937 . 2 2 75 75 TYR CD1 C 13 131.668 0.019 . 3 . . . A 75 TYR CD1 . 18169 1 938 . 2 2 75 75 TYR CD2 C 13 131.668 0.019 . 3 . . . A 75 TYR CD2 . 18169 1 939 . 2 2 75 75 TYR CE1 C 13 117.660 0.078 . 3 . . . A 75 TYR CE1 . 18169 1 940 . 2 2 75 75 TYR CE2 C 13 117.660 0.078 . 3 . . . A 75 TYR CE2 . 18169 1 941 . 2 2 75 75 TYR N N 15 123.916 0.022 . 1 . . . A 75 TYR N . 18169 1 942 . 2 2 76 76 CYS H H 1 8.462 0.004 . 1 . . . A 76 CYS H . 18169 1 943 . 2 2 76 76 CYS HA H 1 3.571 0.005 . 1 . . . A 76 CYS HA . 18169 1 944 . 2 2 76 76 CYS HB2 H 1 3.162 0.003 . 2 . . . A 76 CYS HB2 . 18169 1 945 . 2 2 76 76 CYS HB3 H 1 2.553 0.003 . 2 . . . A 76 CYS HB3 . 18169 1 946 . 2 2 76 76 CYS HG H 1 3.272 0.004 . 1 . . . A 76 CYS HG . 18169 1 947 . 2 2 76 76 CYS C C 13 178.618 0.004 . 1 . . . A 76 CYS C . 18169 1 948 . 2 2 76 76 CYS CA C 13 65.196 0.023 . 1 . . . A 76 CYS CA . 18169 1 949 . 2 2 76 76 CYS CB C 13 25.812 0.025 . 1 . . . A 76 CYS CB . 18169 1 950 . 2 2 76 76 CYS N N 15 122.682 0.022 . 1 . . . A 76 CYS N . 18169 1 951 . 2 2 77 77 VAL H H 1 8.431 0.002 . 1 . . . A 77 VAL H . 18169 1 952 . 2 2 77 77 VAL HA H 1 3.443 0.003 . 1 . . . A 77 VAL HA . 18169 1 953 . 2 2 77 77 VAL HB H 1 2.368 0.004 . 1 . . . A 77 VAL HB . 18169 1 954 . 2 2 77 77 VAL HG11 H 1 0.961 0.003 . 2 . . . A 77 VAL HG11 . 18169 1 955 . 2 2 77 77 VAL HG12 H 1 0.961 0.003 . 2 . . . A 77 VAL HG12 . 18169 1 956 . 2 2 77 77 VAL HG13 H 1 0.961 0.003 . 2 . . . A 77 VAL HG13 . 18169 1 957 . 2 2 77 77 VAL HG21 H 1 1.157 0.003 . 2 . . . A 77 VAL HG21 . 18169 1 958 . 2 2 77 77 VAL HG22 H 1 1.157 0.003 . 2 . . . A 77 VAL HG22 . 18169 1 959 . 2 2 77 77 VAL HG23 H 1 1.157 0.003 . 2 . . . A 77 VAL HG23 . 18169 1 960 . 2 2 77 77 VAL C C 13 177.779 0.004 . 1 . . . A 77 VAL C . 18169 1 961 . 2 2 77 77 VAL CA C 13 67.556 0.062 . 1 . . . A 77 VAL CA . 18169 1 962 . 2 2 77 77 VAL CB C 13 31.231 0.029 . 1 . . . A 77 VAL CB . 18169 1 963 . 2 2 77 77 VAL CG1 C 13 23.767 0.027 . 2 . . . A 77 VAL CG1 . 18169 1 964 . 2 2 77 77 VAL CG2 C 13 22.966 0.022 . 2 . . . A 77 VAL CG2 . 18169 1 965 . 2 2 77 77 VAL N N 15 122.059 0.038 . 1 . . . A 77 VAL N . 18169 1 966 . 2 2 78 78 PHE H H 1 8.237 0.004 . 1 . . . A 78 PHE H . 18169 1 967 . 2 2 78 78 PHE HA H 1 4.276 0.004 . 1 . . . A 78 PHE HA . 18169 1 968 . 2 2 78 78 PHE HB2 H 1 3.828 0.003 . 2 . . . A 78 PHE HB2 . 18169 1 969 . 2 2 78 78 PHE HB3 H 1 3.456 0.005 . 2 . . . A 78 PHE HB3 . 18169 1 970 . 2 2 78 78 PHE HD1 H 1 7.113 0.003 . 3 . . . A 78 PHE HD1 . 18169 1 971 . 2 2 78 78 PHE HD2 H 1 7.113 0.003 . 3 . . . A 78 PHE HD2 . 18169 1 972 . 2 2 78 78 PHE HE1 H 1 7.028 0.007 . 3 . . . A 78 PHE HE1 . 18169 1 973 . 2 2 78 78 PHE HE2 H 1 7.028 0.007 . 3 . . . A 78 PHE HE2 . 18169 1 974 . 2 2 78 78 PHE HZ H 1 6.828 0.004 . 1 . . . A 78 PHE HZ . 18169 1 975 . 2 2 78 78 PHE C C 13 176.507 0.004 . 1 . . . A 78 PHE C . 18169 1 976 . 2 2 78 78 PHE CA C 13 59.489 0.013 . 1 . . . A 78 PHE CA . 18169 1 977 . 2 2 78 78 PHE CB C 13 37.981 0.004 . 1 . . . A 78 PHE CB . 18169 1 978 . 2 2 78 78 PHE CD1 C 13 131.618 0.050 . 3 . . . A 78 PHE CD1 . 18169 1 979 . 2 2 78 78 PHE CD2 C 13 131.618 0.050 . 3 . . . A 78 PHE CD2 . 18169 1 980 . 2 2 78 78 PHE CE1 C 13 130.010 0.029 . 3 . . . A 78 PHE CE1 . 18169 1 981 . 2 2 78 78 PHE CE2 C 13 130.010 0.029 . 3 . . . A 78 PHE CE2 . 18169 1 982 . 2 2 78 78 PHE CZ C 13 130.093 0.004 . 1 . . . A 78 PHE CZ . 18169 1 983 . 2 2 78 78 PHE N N 15 121.882 0.039 . 1 . . . A 78 PHE N . 18169 1 984 . 2 2 79 79 LEU H H 1 8.169 0.003 . 1 . . . A 79 LEU H . 18169 1 985 . 2 2 79 79 LEU HA H 1 3.325 0.004 . 1 . . . A 79 LEU HA . 18169 1 986 . 2 2 79 79 LEU HB2 H 1 1.647 0.004 . 2 . . . A 79 LEU HB2 . 18169 1 987 . 2 2 79 79 LEU HB3 H 1 1.038 0.005 . 2 . . . A 79 LEU HB3 . 18169 1 988 . 2 2 79 79 LEU HG H 1 1.260 0.006 . 1 . . . A 79 LEU HG . 18169 1 989 . 2 2 79 79 LEU HD11 H 1 0.565 0.002 . 2 . . . A 79 LEU HD11 . 18169 1 990 . 2 2 79 79 LEU HD12 H 1 0.565 0.002 . 2 . . . A 79 LEU HD12 . 18169 1 991 . 2 2 79 79 LEU HD13 H 1 0.565 0.002 . 2 . . . A 79 LEU HD13 . 18169 1 992 . 2 2 79 79 LEU HD21 H 1 0.441 0.002 . 2 . . . A 79 LEU HD21 . 18169 1 993 . 2 2 79 79 LEU HD22 H 1 0.441 0.002 . 2 . . . A 79 LEU HD22 . 18169 1 994 . 2 2 79 79 LEU HD23 H 1 0.441 0.002 . 2 . . . A 79 LEU HD23 . 18169 1 995 . 2 2 79 79 LEU C C 13 179.142 0.004 . 1 . . . A 79 LEU C . 18169 1 996 . 2 2 79 79 LEU CA C 13 57.757 0.012 . 1 . . . A 79 LEU CA . 18169 1 997 . 2 2 79 79 LEU CB C 13 40.291 0.029 . 1 . . . A 79 LEU CB . 18169 1 998 . 2 2 79 79 LEU CG C 13 26.389 0.039 . 1 . . . A 79 LEU CG . 18169 1 999 . 2 2 79 79 LEU CD1 C 13 26.423 0.032 . 2 . . . A 79 LEU CD1 . 18169 1 1000 . 2 2 79 79 LEU CD2 C 13 21.830 0.019 . 2 . . . A 79 LEU CD2 . 18169 1 1001 . 2 2 79 79 LEU N N 15 117.045 0.014 . 1 . . . A 79 LEU N . 18169 1 1002 . 2 2 80 80 SER H H 1 8.282 0.004 . 1 . . . A 80 SER H . 18169 1 1003 . 2 2 80 80 SER HA H 1 3.957 0.003 . 1 . . . A 80 SER HA . 18169 1 1004 . 2 2 80 80 SER HB2 H 1 4.261 0.002 . 2 . . . A 80 SER HB2 . 18169 1 1005 . 2 2 80 80 SER HB3 H 1 3.432 0.003 . 2 . . . A 80 SER HB3 . 18169 1 1006 . 2 2 80 80 SER C C 13 175.524 0.004 . 1 . . . A 80 SER C . 18169 1 1007 . 2 2 80 80 SER CA C 13 63.646 0.015 . 1 . . . A 80 SER CA . 18169 1 1008 . 2 2 80 80 SER CB C 13 62.864 0.046 . 1 . . . A 80 SER CB . 18169 1 1009 . 2 2 80 80 SER N N 15 116.137 0.017 . 1 . . . A 80 SER N . 18169 1 1010 . 2 2 81 81 CYS H H 1 8.585 0.002 . 1 . . . A 81 CYS H . 18169 1 1011 . 2 2 81 81 CYS HA H 1 4.240 0.004 . 1 . . . A 81 CYS HA . 18169 1 1012 . 2 2 81 81 CYS HB2 H 1 3.311 0.006 . 2 . . . A 81 CYS HB2 . 18169 1 1013 . 2 2 81 81 CYS HB3 H 1 2.787 0.004 . 2 . . . A 81 CYS HB3 . 18169 1 1014 . 2 2 81 81 CYS HG H 1 2.903 0.001 . 1 . . . A 81 CYS HG . 18169 1 1015 . 2 2 81 81 CYS C C 13 178.552 0.004 . 1 . . . A 81 CYS C . 18169 1 1016 . 2 2 81 81 CYS CA C 13 64.668 0.024 . 1 . . . A 81 CYS CA . 18169 1 1017 . 2 2 81 81 CYS CB C 13 26.641 0.013 . 1 . . . A 81 CYS CB . 18169 1 1018 . 2 2 81 81 CYS N N 15 121.120 0.015 . 1 . . . A 81 CYS N . 18169 1 1019 . 2 2 82 82 ILE H H 1 7.809 0.002 . 1 . . . A 82 ILE H . 18169 1 1020 . 2 2 82 82 ILE HA H 1 3.497 0.003 . 1 . . . A 82 ILE HA . 18169 1 1021 . 2 2 82 82 ILE HB H 1 1.584 0.004 . 1 . . . A 82 ILE HB . 18169 1 1022 . 2 2 82 82 ILE HG12 H 1 0.322 0.003 . 2 . . . A 82 ILE HG12 . 18169 1 1023 . 2 2 82 82 ILE HG13 H 1 1.100 0.009 . 2 . . . A 82 ILE HG13 . 18169 1 1024 . 2 2 82 82 ILE HG21 H 1 0.050 0.001 . 1 . . . A 82 ILE HG21 . 18169 1 1025 . 2 2 82 82 ILE HG22 H 1 0.050 0.001 . 1 . . . A 82 ILE HG22 . 18169 1 1026 . 2 2 82 82 ILE HG23 H 1 0.050 0.001 . 1 . . . A 82 ILE HG23 . 18169 1 1027 . 2 2 82 82 ILE HD11 H 1 -0.107 0.002 . 1 . . . A 82 ILE HD11 . 18169 1 1028 . 2 2 82 82 ILE HD12 H 1 -0.107 0.002 . 1 . . . A 82 ILE HD12 . 18169 1 1029 . 2 2 82 82 ILE HD13 H 1 -0.107 0.002 . 1 . . . A 82 ILE HD13 . 18169 1 1030 . 2 2 82 82 ILE C C 13 178.211 0.004 . 1 . . . A 82 ILE C . 18169 1 1031 . 2 2 82 82 ILE CA C 13 65.393 0.029 . 1 . . . A 82 ILE CA . 18169 1 1032 . 2 2 82 82 ILE CB C 13 36.488 0.034 . 1 . . . A 82 ILE CB . 18169 1 1033 . 2 2 82 82 ILE CG1 C 13 27.385 0.025 . 1 . . . A 82 ILE CG1 . 18169 1 1034 . 2 2 82 82 ILE CG2 C 13 18.922 0.012 . 1 . . . A 82 ILE CG2 . 18169 1 1035 . 2 2 82 82 ILE CD1 C 13 12.597 0.022 . 1 . . . A 82 ILE CD1 . 18169 1 1036 . 2 2 82 82 ILE N N 15 120.492 0.011 . 1 . . . A 82 ILE N . 18169 1 1037 . 2 2 83 83 ALA H H 1 8.968 0.004 . 1 . . . A 83 ALA H . 18169 1 1038 . 2 2 83 83 ALA HA H 1 3.878 0.002 . 1 . . . A 83 ALA HA . 18169 1 1039 . 2 2 83 83 ALA HB1 H 1 1.744 0.003 . 1 . . . A 83 ALA HB1 . 18169 1 1040 . 2 2 83 83 ALA HB2 H 1 1.744 0.003 . 1 . . . A 83 ALA HB2 . 18169 1 1041 . 2 2 83 83 ALA HB3 H 1 1.744 0.003 . 1 . . . A 83 ALA HB3 . 18169 1 1042 . 2 2 83 83 ALA C C 13 179.824 0.004 . 1 . . . A 83 ALA C . 18169 1 1043 . 2 2 83 83 ALA CA C 13 56.304 0.025 . 1 . . . A 83 ALA CA . 18169 1 1044 . 2 2 83 83 ALA CB C 13 17.583 0.012 . 1 . . . A 83 ALA CB . 18169 1 1045 . 2 2 83 83 ALA N N 15 125.026 0.025 . 1 . . . A 83 ALA N . 18169 1 1046 . 2 2 84 84 MET H H 1 8.928 0.004 . 1 . . . A 84 MET H . 18169 1 1047 . 2 2 84 84 MET HA H 1 4.056 0.003 . 1 . . . A 84 MET HA . 18169 1 1048 . 2 2 84 84 MET HB2 H 1 2.374 0.011 . 2 . . . A 84 MET HB2 . 18169 1 1049 . 2 2 84 84 MET HB3 H 1 2.303 0.005 . 2 . . . A 84 MET HB3 . 18169 1 1050 . 2 2 84 84 MET HG2 H 1 3.152 0.004 . 2 . . . A 84 MET HG2 . 18169 1 1051 . 2 2 84 84 MET HG3 H 1 2.796 0.002 . 2 . . . A 84 MET HG3 . 18169 1 1052 . 2 2 84 84 MET HE1 H 1 2.223 0.001 . 1 . . . A 84 MET HE1 . 18169 1 1053 . 2 2 84 84 MET HE2 H 1 2.223 0.001 . 1 . . . A 84 MET HE2 . 18169 1 1054 . 2 2 84 84 MET HE3 H 1 2.223 0.001 . 1 . . . A 84 MET HE3 . 18169 1 1055 . 2 2 84 84 MET C C 13 178.592 0.004 . 1 . . . A 84 MET C . 18169 1 1056 . 2 2 84 84 MET CA C 13 60.059 0.034 . 1 . . . A 84 MET CA . 18169 1 1057 . 2 2 84 84 MET CB C 13 33.390 0.025 . 1 . . . A 84 MET CB . 18169 1 1058 . 2 2 84 84 MET CG C 13 32.804 0.024 . 1 . . . A 84 MET CG . 18169 1 1059 . 2 2 84 84 MET CE C 13 16.698 0.021 . 1 . . . A 84 MET CE . 18169 1 1060 . 2 2 84 84 MET N N 15 116.998 0.018 . 1 . . . A 84 MET N . 18169 1 1061 . 2 2 85 85 MET H H 1 7.644 0.003 . 1 . . . A 85 MET H . 18169 1 1062 . 2 2 85 85 MET HA H 1 4.288 0.007 . 1 . . . A 85 MET HA . 18169 1 1063 . 2 2 85 85 MET HB2 H 1 2.581 0.003 . 2 . . . A 85 MET HB2 . 18169 1 1064 . 2 2 85 85 MET HB3 H 1 2.265 0.003 . 2 . . . A 85 MET HB3 . 18169 1 1065 . 2 2 85 85 MET HG2 H 1 2.735 0.003 . 2 . . . A 85 MET HG2 . 18169 1 1066 . 2 2 85 85 MET HG3 H 1 2.491 0.003 . 2 . . . A 85 MET HG3 . 18169 1 1067 . 2 2 85 85 MET HE1 H 1 2.185 0.006 . 1 . . . A 85 MET HE1 . 18169 1 1068 . 2 2 85 85 MET HE2 H 1 2.185 0.006 . 1 . . . A 85 MET HE2 . 18169 1 1069 . 2 2 85 85 MET HE3 H 1 2.185 0.006 . 1 . . . A 85 MET HE3 . 18169 1 1070 . 2 2 85 85 MET C C 13 178.736 0.004 . 1 . . . A 85 MET C . 18169 1 1071 . 2 2 85 85 MET CA C 13 59.210 0.038 . 1 . . . A 85 MET CA . 18169 1 1072 . 2 2 85 85 MET CB C 13 32.950 0.036 . 1 . . . A 85 MET CB . 18169 1 1073 . 2 2 85 85 MET CG C 13 31.487 0.036 . 1 . . . A 85 MET CG . 18169 1 1074 . 2 2 85 85 MET CE C 13 17.217 0.015 . 1 . . . A 85 MET CE . 18169 1 1075 . 2 2 85 85 MET N N 15 121.259 0.018 . 1 . . . A 85 MET N . 18169 1 1076 . 2 2 86 86 CYS H H 1 8.444 0.004 . 1 . . . A 86 CYS H . 18169 1 1077 . 2 2 86 86 CYS HA H 1 4.192 0.002 . 1 . . . A 86 CYS HA . 18169 1 1078 . 2 2 86 86 CYS HB2 H 1 3.240 0.004 . 2 . . . A 86 CYS HB2 . 18169 1 1079 . 2 2 86 86 CYS HB3 H 1 3.079 0.003 . 2 . . . A 86 CYS HB3 . 18169 1 1080 . 2 2 86 86 CYS C C 13 177.648 0.004 . 1 . . . A 86 CYS C . 18169 1 1081 . 2 2 86 86 CYS CA C 13 63.275 0.025 . 1 . . . A 86 CYS CA . 18169 1 1082 . 2 2 86 86 CYS CB C 13 27.116 0.022 . 1 . . . A 86 CYS CB . 18169 1 1083 . 2 2 86 86 CYS N N 15 117.990 0.014 . 1 . . . A 86 CYS N . 18169 1 1084 . 2 2 87 87 ASN H H 1 8.685 0.010 . 1 . . . A 87 ASN H . 18169 1 1085 . 2 2 87 87 ASN HA H 1 4.244 0.002 . 1 . . . A 87 ASN HA . 18169 1 1086 . 2 2 87 87 ASN HB2 H 1 2.393 0.003 . 2 . . . A 87 ASN HB2 . 18169 1 1087 . 2 2 87 87 ASN HB3 H 1 1.766 0.004 . 2 . . . A 87 ASN HB3 . 18169 1 1088 . 2 2 87 87 ASN C C 13 176.337 0.004 . 1 . . . A 87 ASN C . 18169 1 1089 . 2 2 87 87 ASN CA C 13 56.447 0.033 . 1 . . . A 87 ASN CA . 18169 1 1090 . 2 2 87 87 ASN CB C 13 39.129 0.091 . 1 . . . A 87 ASN CB . 18169 1 1091 . 2 2 87 87 ASN N N 15 119.102 0.017 . 1 . . . A 87 ASN N . 18169 1 1092 . 2 2 88 88 GLU H H 1 7.551 0.008 . 1 . . . A 88 GLU H . 18169 1 1093 . 2 2 88 88 GLU HA H 1 3.941 0.003 . 1 . . . A 88 GLU HA . 18169 1 1094 . 2 2 88 88 GLU HB2 H 1 2.044 0.003 . 2 . . . A 88 GLU HB2 . 18169 1 1095 . 2 2 88 88 GLU HB3 H 1 1.902 0.002 . 2 . . . A 88 GLU HB3 . 18169 1 1096 . 2 2 88 88 GLU HG2 H 1 2.423 0.002 . 2 . . . A 88 GLU HG2 . 18169 1 1097 . 2 2 88 88 GLU HG3 H 1 2.157 0.004 . 2 . . . A 88 GLU HG3 . 18169 1 1098 . 2 2 88 88 GLU C C 13 177.818 0.004 . 1 . . . A 88 GLU C . 18169 1 1099 . 2 2 88 88 GLU CA C 13 58.944 0.042 . 1 . . . A 88 GLU CA . 18169 1 1100 . 2 2 88 88 GLU CB C 13 29.353 0.014 . 1 . . . A 88 GLU CB . 18169 1 1101 . 2 2 88 88 GLU CG C 13 36.104 0.014 . 1 . . . A 88 GLU CG . 18169 1 1102 . 2 2 88 88 GLU N N 15 118.332 0.010 . 1 . . . A 88 GLU N . 18169 1 1103 . 2 2 89 89 PHE H H 1 7.372 0.003 . 1 . . . A 89 PHE H . 18169 1 1104 . 2 2 89 89 PHE HA H 1 4.440 0.003 . 1 . . . A 89 PHE HA . 18169 1 1105 . 2 2 89 89 PHE HB2 H 1 3.118 0.005 . 2 . . . A 89 PHE HB2 . 18169 1 1106 . 2 2 89 89 PHE HB3 H 1 3.000 0.004 . 2 . . . A 89 PHE HB3 . 18169 1 1107 . 2 2 89 89 PHE HD1 H 1 7.139 0.026 . 3 . . . A 89 PHE HD1 . 18169 1 1108 . 2 2 89 89 PHE HD2 H 1 7.139 0.026 . 3 . . . A 89 PHE HD2 . 18169 1 1109 . 2 2 89 89 PHE C C 13 176.271 0.004 . 1 . . . A 89 PHE C . 18169 1 1110 . 2 2 89 89 PHE CA C 13 58.243 0.025 . 1 . . . A 89 PHE CA . 18169 1 1111 . 2 2 89 89 PHE CB C 13 39.000 0.023 . 1 . . . A 89 PHE CB . 18169 1 1112 . 2 2 89 89 PHE CD1 C 13 131.867 0.091 . 3 . . . A 89 PHE CD1 . 18169 1 1113 . 2 2 89 89 PHE CD2 C 13 131.867 0.091 . 3 . . . A 89 PHE CD2 . 18169 1 1114 . 2 2 89 89 PHE N N 15 116.006 0.014 . 1 . . . A 89 PHE N . 18169 1 1115 . 2 2 90 90 PHE H H 1 7.576 0.002 . 1 . . . A 90 PHE H . 18169 1 1116 . 2 2 90 90 PHE HA H 1 4.166 0.001 . 1 . . . A 90 PHE HA . 18169 1 1117 . 2 2 90 90 PHE HB2 H 1 2.970 0.002 . 2 . . . A 90 PHE HB2 . 18169 1 1118 . 2 2 90 90 PHE HB3 H 1 2.816 0.003 . 2 . . . A 90 PHE HB3 . 18169 1 1119 . 2 2 90 90 PHE HD1 H 1 6.923 0.003 . 3 . . . A 90 PHE HD1 . 18169 1 1120 . 2 2 90 90 PHE HD2 H 1 6.923 0.003 . 3 . . . A 90 PHE HD2 . 18169 1 1121 . 2 2 90 90 PHE HE1 H 1 7.143 0.005 . 3 . . . A 90 PHE HE1 . 18169 1 1122 . 2 2 90 90 PHE HE2 H 1 7.143 0.005 . 3 . . . A 90 PHE HE2 . 18169 1 1123 . 2 2 90 90 PHE C C 13 176.376 0.004 . 1 . . . A 90 PHE C . 18169 1 1124 . 2 2 90 90 PHE CA C 13 60.062 0.008 . 1 . . . A 90 PHE CA . 18169 1 1125 . 2 2 90 90 PHE CB C 13 39.541 0.015 . 1 . . . A 90 PHE CB . 18169 1 1126 . 2 2 90 90 PHE CD1 C 13 131.612 0.056 . 3 . . . A 90 PHE CD1 . 18169 1 1127 . 2 2 90 90 PHE CD2 C 13 131.612 0.056 . 3 . . . A 90 PHE CD2 . 18169 1 1128 . 2 2 90 90 PHE CE1 C 13 131.106 0.004 . 3 . . . A 90 PHE CE1 . 18169 1 1129 . 2 2 90 90 PHE CE2 C 13 131.106 0.004 . 3 . . . A 90 PHE CE2 . 18169 1 1130 . 2 2 90 90 PHE N N 15 120.581 0.014 . 1 . . . A 90 PHE N . 18169 1 1131 . 2 2 91 91 GLU H H 1 8.030 0.002 . 1 . . . A 91 GLU H . 18169 1 1132 . 2 2 91 91 GLU HA H 1 4.007 0.002 . 1 . . . A 91 GLU HA . 18169 1 1133 . 2 2 91 91 GLU HB2 H 1 1.898 0.006 . 2 . . . A 91 GLU HB2 . 18169 1 1134 . 2 2 91 91 GLU HB3 H 1 1.772 0.003 . 2 . . . A 91 GLU HB3 . 18169 1 1135 . 2 2 91 91 GLU HG2 H 1 2.216 0.003 . 2 . . . A 91 GLU HG2 . 18169 1 1136 . 2 2 91 91 GLU HG3 H 1 1.910 0.003 . 2 . . . A 91 GLU HG3 . 18169 1 1137 . 2 2 91 91 GLU C C 13 176.298 0.004 . 1 . . . A 91 GLU C . 18169 1 1138 . 2 2 91 91 GLU CA C 13 56.909 0.031 . 1 . . . A 91 GLU CA . 18169 1 1139 . 2 2 91 91 GLU CB C 13 30.285 0.017 . 1 . . . A 91 GLU CB . 18169 1 1140 . 2 2 91 91 GLU CG C 13 36.291 0.011 . 1 . . . A 91 GLU CG . 18169 1 1141 . 2 2 91 91 GLU N N 15 120.709 0.013 . 1 . . . A 91 GLU N . 18169 1 1142 . 2 2 92 92 GLY H H 1 7.190 0.005 . 1 . . . A 92 GLY H . 18169 1 1143 . 2 2 92 92 GLY HA2 H 1 3.826 0.007 . 2 . . . A 92 GLY HA2 . 18169 1 1144 . 2 2 92 92 GLY HA3 H 1 3.676 0.002 . 2 . . . A 92 GLY HA3 . 18169 1 1145 . 2 2 92 92 GLY C C 13 173.282 0.004 . 1 . . . A 92 GLY C . 18169 1 1146 . 2 2 92 92 GLY CA C 13 45.184 0.008 . 1 . . . A 92 GLY CA . 18169 1 1147 . 2 2 92 92 GLY N N 15 107.060 0.011 . 1 . . . A 92 GLY N . 18169 1 1148 . 2 2 93 93 PHE H H 1 8.037 0.002 . 1 . . . A 93 PHE H . 18169 1 1149 . 2 2 93 93 PHE HA H 1 4.791 0.002 . 1 . . . A 93 PHE HA . 18169 1 1150 . 2 2 93 93 PHE HB2 H 1 3.161 0.004 . 2 . . . A 93 PHE HB2 . 18169 1 1151 . 2 2 93 93 PHE HB3 H 1 2.945 0.003 . 2 . . . A 93 PHE HB3 . 18169 1 1152 . 2 2 93 93 PHE HD1 H 1 7.297 0.010 . 3 . . . A 93 PHE HD1 . 18169 1 1153 . 2 2 93 93 PHE HD2 H 1 7.297 0.010 . 3 . . . A 93 PHE HD2 . 18169 1 1154 . 2 2 93 93 PHE HE1 H 1 7.344 0.001 . 3 . . . A 93 PHE HE1 . 18169 1 1155 . 2 2 93 93 PHE HE2 H 1 7.344 0.001 . 3 . . . A 93 PHE HE2 . 18169 1 1156 . 2 2 93 93 PHE C C 13 174.213 0.004 . 1 . . . A 93 PHE C . 18169 1 1157 . 2 2 93 93 PHE CA C 13 56.137 0.010 . 1 . . . A 93 PHE CA . 18169 1 1158 . 2 2 93 93 PHE CB C 13 38.946 0.005 . 1 . . . A 93 PHE CB . 18169 1 1159 . 2 2 93 93 PHE CD1 C 13 132.132 0.073 . 3 . . . A 93 PHE CD1 . 18169 1 1160 . 2 2 93 93 PHE CD2 C 13 132.132 0.073 . 3 . . . A 93 PHE CD2 . 18169 1 1161 . 2 2 93 93 PHE CE1 C 13 131.376 0.017 . 3 . . . A 93 PHE CE1 . 18169 1 1162 . 2 2 93 93 PHE CE2 C 13 131.376 0.017 . 3 . . . A 93 PHE CE2 . 18169 1 1163 . 2 2 93 93 PHE N N 15 119.810 0.023 . 1 . . . A 93 PHE N . 18169 1 1164 . 2 2 94 94 PRO HA H 1 4.449 0.004 . 1 . . . A 94 PRO HA . 18169 1 1165 . 2 2 94 94 PRO HB2 H 1 2.268 0.004 . 2 . . . A 94 PRO HB2 . 18169 1 1166 . 2 2 94 94 PRO HB3 H 1 1.960 0.004 . 2 . . . A 94 PRO HB3 . 18169 1 1167 . 2 2 94 94 PRO HG2 H 1 1.954 0.004 . 2 . . . A 94 PRO HG2 . 18169 1 1168 . 2 2 94 94 PRO HG3 H 1 1.954 0.004 . 2 . . . A 94 PRO HG3 . 18169 1 1169 . 2 2 94 94 PRO HD2 H 1 3.720 0.002 . 2 . . . A 94 PRO HD2 . 18169 1 1170 . 2 2 94 94 PRO HD3 H 1 3.567 0.004 . 2 . . . A 94 PRO HD3 . 18169 1 1171 . 2 2 94 94 PRO C C 13 176.696 0.004 . 1 . . . A 94 PRO C . 18169 1 1172 . 2 2 94 94 PRO CA C 13 63.677 0.004 . 1 . . . A 94 PRO CA . 18169 1 1173 . 2 2 94 94 PRO CB C 13 31.951 0.020 . 1 . . . A 94 PRO CB . 18169 1 1174 . 2 2 94 94 PRO CG C 13 27.432 0.004 . 1 . . . A 94 PRO CG . 18169 1 1175 . 2 2 94 94 PRO CD C 13 50.739 0.004 . 1 . . . A 94 PRO CD . 18169 1 1176 . 2 2 95 95 ASP H H 1 8.307 0.004 . 1 . . . A 95 ASP H . 18169 1 1177 . 2 2 95 95 ASP HA H 1 4.630 0.001 . 1 . . . A 95 ASP HA . 18169 1 1178 . 2 2 95 95 ASP HB2 H 1 2.760 0.004 . 2 . . . A 95 ASP HB2 . 18169 1 1179 . 2 2 95 95 ASP HB3 H 1 2.681 0.004 . 2 . . . A 95 ASP HB3 . 18169 1 1180 . 2 2 95 95 ASP C C 13 176.294 0.004 . 1 . . . A 95 ASP C . 18169 1 1181 . 2 2 95 95 ASP CA C 13 54.510 0.004 . 1 . . . A 95 ASP CA . 18169 1 1182 . 2 2 95 95 ASP CB C 13 41.296 0.004 . 1 . . . A 95 ASP CB . 18169 1 1183 . 2 2 95 95 ASP N N 15 119.838 0.030 . 1 . . . A 95 ASP N . 18169 1 1184 . 2 2 96 96 LYS H H 1 8.160 0.002 . 1 . . . A 96 LYS H . 18169 1 1185 . 2 2 96 96 LYS HA H 1 4.372 0.004 . 1 . . . A 96 LYS HA . 18169 1 1186 . 2 2 96 96 LYS HB2 H 1 1.923 0.004 . 2 . . . A 96 LYS HB2 . 18169 1 1187 . 2 2 96 96 LYS HB3 H 1 1.799 0.004 . 2 . . . A 96 LYS HB3 . 18169 1 1188 . 2 2 96 96 LYS HG2 H 1 1.473 0.004 . 2 . . . A 96 LYS HG2 . 18169 1 1189 . 2 2 96 96 LYS HG3 H 1 1.473 0.004 . 2 . . . A 96 LYS HG3 . 18169 1 1190 . 2 2 96 96 LYS HD2 H 1 1.707 0.004 . 2 . . . A 96 LYS HD2 . 18169 1 1191 . 2 2 96 96 LYS HD3 H 1 1.707 0.004 . 2 . . . A 96 LYS HD3 . 18169 1 1192 . 2 2 96 96 LYS HE2 H 1 3.026 0.004 . 2 . . . A 96 LYS HE2 . 18169 1 1193 . 2 2 96 96 LYS HE3 H 1 3.026 0.004 . 2 . . . A 96 LYS HE3 . 18169 1 1194 . 2 2 96 96 LYS C C 13 176.383 0.004 . 1 . . . A 96 LYS C . 18169 1 1195 . 2 2 96 96 LYS CA C 13 56.181 0.004 . 1 . . . A 96 LYS CA . 18169 1 1196 . 2 2 96 96 LYS CB C 13 33.022 0.002 . 1 . . . A 96 LYS CB . 18169 1 1197 . 2 2 96 96 LYS CG C 13 24.870 0.004 . 1 . . . A 96 LYS CG . 18169 1 1198 . 2 2 96 96 LYS CD C 13 29.091 0.004 . 1 . . . A 96 LYS CD . 18169 1 1199 . 2 2 96 96 LYS CE C 13 42.367 0.004 . 1 . . . A 96 LYS CE . 18169 1 1200 . 2 2 96 96 LYS N N 15 120.909 0.013 . 1 . . . A 96 LYS N . 18169 1 1201 . 2 2 97 97 GLN H H 1 8.246 0.003 . 1 . . . A 97 GLN H . 18169 1 1202 . 2 2 97 97 GLN HA H 1 4.650 0.004 . 1 . . . A 97 GLN HA . 18169 1 1203 . 2 2 97 97 GLN HB2 H 1 2.139 0.004 . 2 . . . A 97 GLN HB2 . 18169 1 1204 . 2 2 97 97 GLN HB3 H 1 1.989 0.004 . 2 . . . A 97 GLN HB3 . 18169 1 1205 . 2 2 97 97 GLN HG2 H 1 2.428 0.004 . 2 . . . A 97 GLN HG2 . 18169 1 1206 . 2 2 97 97 GLN HG3 H 1 2.428 0.004 . 2 . . . A 97 GLN HG3 . 18169 1 1207 . 2 2 97 97 GLN C C 13 174.000 0.004 . 1 . . . A 97 GLN C . 18169 1 1208 . 2 2 97 97 GLN CA C 13 53.840 0.004 . 1 . . . A 97 GLN CA . 18169 1 1209 . 2 2 97 97 GLN CB C 13 29.100 0.004 . 1 . . . A 97 GLN CB . 18169 1 1210 . 2 2 97 97 GLN CG C 13 33.749 0.004 . 1 . . . A 97 GLN CG . 18169 1 1211 . 2 2 97 97 GLN N N 15 121.757 0.029 . 1 . . . A 97 GLN N . 18169 1 1212 . 2 2 98 98 PRO HA H 1 4.479 0.004 . 1 . . . A 98 PRO HA . 18169 1 1213 . 2 2 98 98 PRO HB2 H 1 2.337 0.004 . 2 . . . A 98 PRO HB2 . 18169 1 1214 . 2 2 98 98 PRO HB3 H 1 1.947 0.004 . 2 . . . A 98 PRO HB3 . 18169 1 1215 . 2 2 98 98 PRO HG2 H 1 2.075 0.004 . 2 . . . A 98 PRO HG2 . 18169 1 1216 . 2 2 98 98 PRO HG3 H 1 2.075 0.004 . 2 . . . A 98 PRO HG3 . 18169 1 1217 . 2 2 98 98 PRO HD2 H 1 3.831 0.004 . 2 . . . A 98 PRO HD2 . 18169 1 1218 . 2 2 98 98 PRO HD3 H 1 3.711 0.004 . 2 . . . A 98 PRO HD3 . 18169 1 1219 . 2 2 98 98 PRO C C 13 176.809 0.004 . 1 . . . A 98 PRO C . 18169 1 1220 . 2 2 98 98 PRO CA C 13 63.202 0.004 . 1 . . . A 98 PRO CA . 18169 1 1221 . 2 2 98 98 PRO CB C 13 32.136 0.004 . 1 . . . A 98 PRO CB . 18169 1 1222 . 2 2 98 98 PRO CG C 13 27.559 0.004 . 1 . . . A 98 PRO CG . 18169 1 1223 . 2 2 98 98 PRO CD C 13 50.810 0.004 . 1 . . . A 98 PRO CD . 18169 1 1224 . 2 2 99 99 ARG H H 1 8.375 0.002 . 1 . . . A 99 ARG H . 18169 1 1225 . 2 2 99 99 ARG HA H 1 4.374 0.004 . 1 . . . A 99 ARG HA . 18169 1 1226 . 2 2 99 99 ARG HB2 H 1 1.904 0.004 . 2 . . . A 99 ARG HB2 . 18169 1 1227 . 2 2 99 99 ARG HB3 H 1 1.819 0.004 . 2 . . . A 99 ARG HB3 . 18169 1 1228 . 2 2 99 99 ARG HG2 H 1 1.709 0.004 . 2 . . . A 99 ARG HG2 . 18169 1 1229 . 2 2 99 99 ARG HG3 H 1 1.709 0.004 . 2 . . . A 99 ARG HG3 . 18169 1 1230 . 2 2 99 99 ARG HD2 H 1 3.255 0.004 . 2 . . . A 99 ARG HD2 . 18169 1 1231 . 2 2 99 99 ARG HD3 H 1 3.255 0.004 . 2 . . . A 99 ARG HD3 . 18169 1 1232 . 2 2 99 99 ARG C C 13 176.236 0.004 . 1 . . . A 99 ARG C . 18169 1 1233 . 2 2 99 99 ARG CA C 13 56.075 0.004 . 1 . . . A 99 ARG CA . 18169 1 1234 . 2 2 99 99 ARG CB C 13 31.116 0.001 . 1 . . . A 99 ARG CB . 18169 1 1235 . 2 2 99 99 ARG CG C 13 27.246 0.004 . 1 . . . A 99 ARG CG . 18169 1 1236 . 2 2 99 99 ARG CD C 13 43.542 0.004 . 1 . . . A 99 ARG CD . 18169 1 1237 . 2 2 99 99 ARG N N 15 121.453 0.022 . 1 . . . A 99 ARG N . 18169 1 1238 . 2 2 100 100 LYS H H 1 8.338 0.003 . 1 . . . A 100 LYS H . 18169 1 1239 . 2 2 100 100 LYS HA H 1 4.373 0.001 . 1 . . . A 100 LYS HA . 18169 1 1240 . 2 2 100 100 LYS HB2 H 1 1.903 0.001 . 2 . . . A 100 LYS HB2 . 18169 1 1241 . 2 2 100 100 LYS HB3 H 1 1.809 0.004 . 2 . . . A 100 LYS HB3 . 18169 1 1242 . 2 2 100 100 LYS HG2 H 1 1.501 0.004 . 2 . . . A 100 LYS HG2 . 18169 1 1243 . 2 2 100 100 LYS HG3 H 1 1.501 0.004 . 2 . . . A 100 LYS HG3 . 18169 1 1244 . 2 2 100 100 LYS HD2 H 1 1.753 0.004 . 2 . . . A 100 LYS HD2 . 18169 1 1245 . 2 2 100 100 LYS HD3 H 1 1.753 0.004 . 2 . . . A 100 LYS HD3 . 18169 1 1246 . 2 2 100 100 LYS HE2 H 1 3.065 0.004 . 2 . . . A 100 LYS HE2 . 18169 1 1247 . 2 2 100 100 LYS HE3 H 1 3.065 0.004 . 2 . . . A 100 LYS HE3 . 18169 1 1248 . 2 2 100 100 LYS C C 13 175.530 0.004 . 1 . . . A 100 LYS C . 18169 1 1249 . 2 2 100 100 LYS CA C 13 56.527 0.004 . 1 . . . A 100 LYS CA . 18169 1 1250 . 2 2 100 100 LYS CB C 13 33.357 0.002 . 1 . . . A 100 LYS CB . 18169 1 1251 . 2 2 100 100 LYS CG C 13 24.869 0.004 . 1 . . . A 100 LYS CG . 18169 1 1252 . 2 2 100 100 LYS CD C 13 29.228 0.004 . 1 . . . A 100 LYS CD . 18169 1 1253 . 2 2 100 100 LYS N N 15 123.598 0.020 . 1 . . . A 100 LYS N . 18169 1 1254 . 2 2 101 101 LYS H H 1 7.964 0.002 . 1 . . . A 101 LYS H . 18169 1 1255 . 2 2 101 101 LYS HA H 1 4.202 0.004 . 1 . . . A 101 LYS HA . 18169 1 1256 . 2 2 101 101 LYS HB2 H 1 1.864 0.004 . 2 . . . A 101 LYS HB2 . 18169 1 1257 . 2 2 101 101 LYS HB3 H 1 1.771 0.004 . 2 . . . A 101 LYS HB3 . 18169 1 1258 . 2 2 101 101 LYS HG2 H 1 1.371 0.001 . 2 . . . A 101 LYS HG2 . 18169 1 1259 . 2 2 101 101 LYS HG3 H 1 1.371 0.004 . 2 . . . A 101 LYS HG3 . 18169 1 1260 . 2 2 101 101 LYS HD2 H 1 1.743 0.004 . 2 . . . A 101 LYS HD2 . 18169 1 1261 . 2 2 101 101 LYS HD3 H 1 1.742 0.004 . 2 . . . A 101 LYS HD3 . 18169 1 1262 . 2 2 101 101 LYS HE2 H 1 3.025 0.004 . 2 . . . A 101 LYS HE2 . 18169 1 1263 . 2 2 101 101 LYS HE3 H 1 3.025 0.004 . 2 . . . A 101 LYS HE3 . 18169 1 1264 . 2 2 101 101 LYS C C 13 181.219 0.004 . 1 . . . A 101 LYS C . 18169 1 1265 . 2 2 101 101 LYS CA C 13 57.951 0.004 . 1 . . . A 101 LYS CA . 18169 1 1266 . 2 2 101 101 LYS CB C 13 33.913 0.004 . 1 . . . A 101 LYS CB . 18169 1 1267 . 2 2 101 101 LYS CG C 13 24.867 0.004 . 1 . . . A 101 LYS CG . 18169 1 1268 . 2 2 101 101 LYS CD C 13 29.334 0.004 . 1 . . . A 101 LYS CD . 18169 1 1269 . 2 2 101 101 LYS CE C 13 42.449 0.004 . 1 . . . A 101 LYS CE . 18169 1 1270 . 2 2 101 101 LYS N N 15 128.149 0.031 . 1 . . . A 101 LYS N . 18169 1 stop_ save_ save_S100A4_chain_B _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode S100A4_chain_B _Assigned_chem_shift_list.Entry_ID 18169 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '2D 1H-1H filtered NOESY' . . . 18169 2 5 '3D CBCA(CO)NH' . . . 18169 2 6 '3D HNCACB' . . . 18169 2 7 '3D HCCH-TOCSY' . . . 18169 2 8 '3D HNCO' . . . 18169 2 9 '2D 1H-1H filtered TOCSY' . . . 18169 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 . 3 2 2 2 ALA H H 1 8.268 0.005 . 1 . . . A 2 ALA H . 18169 2 2 . 3 2 2 2 ALA HA H 1 4.494 0.003 . 1 . . . A 2 ALA HA . 18169 2 3 . 3 2 2 2 ALA HB1 H 1 1.482 0.002 . 1 . . . A 2 ALA HB1 . 18169 2 4 . 3 2 2 2 ALA HB2 H 1 1.482 0.002 . 1 . . . A 2 ALA HB2 . 18169 2 5 . 3 2 2 2 ALA HB3 H 1 1.482 0.002 . 1 . . . A 2 ALA HB3 . 18169 2 6 . 3 2 2 2 ALA C C 13 177.779 0.004 . 1 . . . A 2 ALA C . 18169 2 7 . 3 2 2 2 ALA CA C 13 52.619 0.002 . 1 . . . A 2 ALA CA . 18169 2 8 . 3 2 2 2 ALA CB C 13 20.001 0.006 . 1 . . . A 2 ALA CB . 18169 2 9 . 3 2 2 2 ALA N N 15 124.568 0.021 . 1 . . . A 2 ALA N . 18169 2 10 . 3 2 3 3 CYS H H 1 8.877 0.003 . 1 . . . A 3 CYS H . 18169 2 11 . 3 2 3 3 CYS HA H 1 4.925 0.003 . 1 . . . A 3 CYS HA . 18169 2 12 . 3 2 3 3 CYS HB2 H 1 3.573 0.002 . 2 . . . A 3 CYS HB2 . 18169 2 13 . 3 2 3 3 CYS HB3 H 1 2.963 0.007 . 2 . . . A 3 CYS HB3 . 18169 2 14 . 3 2 3 3 CYS C C 13 174.200 0.004 . 1 . . . A 3 CYS C . 18169 2 15 . 3 2 3 3 CYS CA C 13 58.427 0.021 . 1 . . . A 3 CYS CA . 18169 2 16 . 3 2 3 3 CYS CB C 13 27.380 0.027 . 1 . . . A 3 CYS CB . 18169 2 17 . 3 2 3 3 CYS N N 15 120.347 0.015 . 1 . . . A 3 CYS N . 18169 2 18 . 3 2 4 4 PRO HA H 1 4.351 0.006 . 1 . . . A 4 PRO HA . 18169 2 19 . 3 2 4 4 PRO HB2 H 1 2.550 0.004 . 2 . . . A 4 PRO HB2 . 18169 2 20 . 3 2 4 4 PRO HB3 H 1 2.187 0.001 . 2 . . . A 4 PRO HB3 . 18169 2 21 . 3 2 4 4 PRO HG2 H 1 2.365 0.007 . 2 . . . A 4 PRO HG2 . 18169 2 22 . 3 2 4 4 PRO HG3 H 1 2.192 0.004 . 2 . . . A 4 PRO HG3 . 18169 2 23 . 3 2 4 4 PRO HD2 H 1 4.047 0.003 . 2 . . . A 4 PRO HD2 . 18169 2 24 . 3 2 4 4 PRO HD3 H 1 4.047 0.003 . 2 . . . A 4 PRO HD3 . 18169 2 25 . 3 2 4 4 PRO C C 13 179.352 0.004 . 1 . . . A 4 PRO C . 18169 2 26 . 3 2 4 4 PRO CA C 13 66.566 0.036 . 1 . . . A 4 PRO CA . 18169 2 27 . 3 2 4 4 PRO CB C 13 32.840 0.026 . 1 . . . A 4 PRO CB . 18169 2 28 . 3 2 4 4 PRO CG C 13 27.931 0.012 . 1 . . . A 4 PRO CG . 18169 2 29 . 3 2 4 4 PRO CD C 13 50.938 0.004 . 1 . . . A 4 PRO CD . 18169 2 30 . 3 2 5 5 LEU H H 1 10.862 0.004 . 1 . . . A 5 LEU H . 18169 2 31 . 3 2 5 5 LEU HA H 1 4.288 0.004 . 1 . . . A 5 LEU HA . 18169 2 32 . 3 2 5 5 LEU HB2 H 1 2.111 0.003 . 2 . . . A 5 LEU HB2 . 18169 2 33 . 3 2 5 5 LEU HB3 H 1 1.654 0.004 . 2 . . . A 5 LEU HB3 . 18169 2 34 . 3 2 5 5 LEU HG H 1 1.845 0.001 . 1 . . . A 5 LEU HG . 18169 2 35 . 3 2 5 5 LEU HD11 H 1 1.073 0.001 . 2 . . . A 5 LEU HD11 . 18169 2 36 . 3 2 5 5 LEU HD12 H 1 1.073 0.001 . 2 . . . A 5 LEU HD12 . 18169 2 37 . 3 2 5 5 LEU HD13 H 1 1.073 0.001 . 2 . . . A 5 LEU HD13 . 18169 2 38 . 3 2 5 5 LEU HD21 H 1 1.105 0.008 . 2 . . . A 5 LEU HD21 . 18169 2 39 . 3 2 5 5 LEU HD22 H 1 1.105 0.008 . 2 . . . A 5 LEU HD22 . 18169 2 40 . 3 2 5 5 LEU HD23 H 1 1.105 0.008 . 2 . . . A 5 LEU HD23 . 18169 2 41 . 3 2 5 5 LEU C C 13 178.723 0.004 . 1 . . . A 5 LEU C . 18169 2 42 . 3 2 5 5 LEU CA C 13 57.299 0.045 . 1 . . . A 5 LEU CA . 18169 2 43 . 3 2 5 5 LEU CB C 13 42.879 0.004 . 1 . . . A 5 LEU CB . 18169 2 44 . 3 2 5 5 LEU CG C 13 27.180 0.001 . 1 . . . A 5 LEU CG . 18169 2 45 . 3 2 5 5 LEU CD1 C 13 25.571 0.018 . 2 . . . A 5 LEU CD1 . 18169 2 46 . 3 2 5 5 LEU CD2 C 13 23.831 0.013 . 2 . . . A 5 LEU CD2 . 18169 2 47 . 3 2 5 5 LEU N N 15 121.635 0.019 . 1 . . . A 5 LEU N . 18169 2 48 . 3 2 6 6 GLU H H 1 7.090 0.008 . 1 . . . A 6 GLU H . 18169 2 49 . 3 2 6 6 GLU HA H 1 4.064 0.002 . 1 . . . A 6 GLU HA . 18169 2 50 . 3 2 6 6 GLU HB2 H 1 2.207 0.004 . 2 . . . A 6 GLU HB2 . 18169 2 51 . 3 2 6 6 GLU HB3 H 1 2.207 0.004 . 2 . . . A 6 GLU HB3 . 18169 2 52 . 3 2 6 6 GLU C C 13 179.614 0.004 . 1 . . . A 6 GLU C . 18169 2 53 . 3 2 6 6 GLU CA C 13 60.267 0.066 . 1 . . . A 6 GLU CA . 18169 2 54 . 3 2 6 6 GLU CB C 13 29.366 0.004 . 1 . . . A 6 GLU CB . 18169 2 55 . 3 2 6 6 GLU N N 15 116.886 0.021 . 1 . . . A 6 GLU N . 18169 2 56 . 3 2 7 7 LYS H H 1 8.253 0.003 . 1 . . . A 7 LYS H . 18169 2 57 . 3 2 7 7 LYS HA H 1 4.251 0.001 . 1 . . . A 7 LYS HA . 18169 2 58 . 3 2 7 7 LYS HB2 H 1 2.066 0.004 . 2 . . . A 7 LYS HB2 . 18169 2 59 . 3 2 7 7 LYS HB3 H 1 1.983 0.002 . 2 . . . A 7 LYS HB3 . 18169 2 60 . 3 2 7 7 LYS HG2 H 1 1.628 0.006 . 2 . . . A 7 LYS HG2 . 18169 2 61 . 3 2 7 7 LYS HG3 H 1 1.570 0.004 . 2 . . . A 7 LYS HG3 . 18169 2 62 . 3 2 7 7 LYS HD2 H 1 1.812 0.001 . 2 . . . A 7 LYS HD2 . 18169 2 63 . 3 2 7 7 LYS HD3 H 1 1.812 0.001 . 2 . . . A 7 LYS HD3 . 18169 2 64 . 3 2 7 7 LYS HE2 H 1 3.060 0.002 . 2 . . . A 7 LYS HE2 . 18169 2 65 . 3 2 7 7 LYS HE3 H 1 3.071 0.004 . 2 . . . A 7 LYS HE3 . 18169 2 66 . 3 2 7 7 LYS C C 13 178.801 0.004 . 1 . . . A 7 LYS C . 18169 2 67 . 3 2 7 7 LYS CA C 13 59.153 0.033 . 1 . . . A 7 LYS CA . 18169 2 68 . 3 2 7 7 LYS CB C 13 31.811 0.011 . 1 . . . A 7 LYS CB . 18169 2 69 . 3 2 7 7 LYS CG C 13 25.251 0.004 . 1 . . . A 7 LYS CG . 18169 2 70 . 3 2 7 7 LYS CD C 13 29.208 0.004 . 1 . . . A 7 LYS CD . 18169 2 71 . 3 2 7 7 LYS CE C 13 42.336 0.004 . 1 . . . A 7 LYS CE . 18169 2 72 . 3 2 7 7 LYS N N 15 119.549 0.029 . 1 . . . A 7 LYS N . 18169 2 73 . 3 2 8 8 ALA H H 1 8.236 0.001 . 1 . . . A 8 ALA H . 18169 2 74 . 3 2 8 8 ALA HA H 1 4.155 0.003 . 1 . . . A 8 ALA HA . 18169 2 75 . 3 2 8 8 ALA HB1 H 1 1.690 0.002 . 1 . . . A 8 ALA HB1 . 18169 2 76 . 3 2 8 8 ALA HB2 H 1 1.690 0.002 . 1 . . . A 8 ALA HB2 . 18169 2 77 . 3 2 8 8 ALA HB3 H 1 1.690 0.002 . 1 . . . A 8 ALA HB3 . 18169 2 78 . 3 2 8 8 ALA C C 13 179.365 0.004 . 1 . . . A 8 ALA C . 18169 2 79 . 3 2 8 8 ALA CA C 13 55.556 0.007 . 1 . . . A 8 ALA CA . 18169 2 80 . 3 2 8 8 ALA CB C 13 17.826 0.023 . 1 . . . A 8 ALA CB . 18169 2 81 . 3 2 8 8 ALA N N 15 121.901 0.048 . 1 . . . A 8 ALA N . 18169 2 82 . 3 2 9 9 LEU H H 1 7.735 0.006 . 1 . . . A 9 LEU H . 18169 2 83 . 3 2 9 9 LEU HA H 1 4.142 0.002 . 1 . . . A 9 LEU HA . 18169 2 84 . 3 2 9 9 LEU HB2 H 1 2.183 0.004 . 2 . . . A 9 LEU HB2 . 18169 2 85 . 3 2 9 9 LEU HB3 H 1 1.357 0.002 . 2 . . . A 9 LEU HB3 . 18169 2 86 . 3 2 9 9 LEU HG H 1 1.912 0.007 . 1 . . . A 9 LEU HG . 18169 2 87 . 3 2 9 9 LEU HD11 H 1 0.814 0.002 . 2 . . . A 9 LEU HD11 . 18169 2 88 . 3 2 9 9 LEU HD12 H 1 0.814 0.002 . 2 . . . A 9 LEU HD12 . 18169 2 89 . 3 2 9 9 LEU HD13 H 1 0.814 0.002 . 2 . . . A 9 LEU HD13 . 18169 2 90 . 3 2 9 9 LEU HD21 H 1 0.676 0.003 . 2 . . . A 9 LEU HD21 . 18169 2 91 . 3 2 9 9 LEU HD22 H 1 0.676 0.003 . 2 . . . A 9 LEU HD22 . 18169 2 92 . 3 2 9 9 LEU HD23 H 1 0.676 0.003 . 2 . . . A 9 LEU HD23 . 18169 2 93 . 3 2 9 9 LEU C C 13 178.828 0.004 . 1 . . . A 9 LEU C . 18169 2 94 . 3 2 9 9 LEU CA C 13 58.255 0.011 . 1 . . . A 9 LEU CA . 18169 2 95 . 3 2 9 9 LEU CB C 13 42.230 0.034 . 1 . . . A 9 LEU CB . 18169 2 96 . 3 2 9 9 LEU CG C 13 26.751 0.004 . 1 . . . A 9 LEU CG . 18169 2 97 . 3 2 9 9 LEU CD1 C 13 24.046 0.022 . 2 . . . A 9 LEU CD1 . 18169 2 98 . 3 2 9 9 LEU CD2 C 13 26.671 0.004 . 2 . . . A 9 LEU CD2 . 18169 2 99 . 3 2 9 9 LEU N N 15 118.148 0.023 . 1 . . . A 9 LEU N . 18169 2 100 . 3 2 10 10 ASP H H 1 7.801 0.004 . 1 . . . A 10 ASP H . 18169 2 101 . 3 2 10 10 ASP HA H 1 4.597 0.007 . 1 . . . A 10 ASP HA . 18169 2 102 . 3 2 10 10 ASP HB2 H 1 3.036 0.010 . 2 . . . A 10 ASP HB2 . 18169 2 103 . 3 2 10 10 ASP HB3 H 1 3.017 0.009 . 2 . . . A 10 ASP HB3 . 18169 2 104 . 3 2 10 10 ASP C C 13 179.811 0.004 . 1 . . . A 10 ASP C . 18169 2 105 . 3 2 10 10 ASP CA C 13 58.039 0.021 . 1 . . . A 10 ASP CA . 18169 2 106 . 3 2 10 10 ASP CB C 13 41.721 0.004 . 1 . . . A 10 ASP CB . 18169 2 107 . 3 2 10 10 ASP N N 15 119.339 0.012 . 1 . . . A 10 ASP N . 18169 2 108 . 3 2 11 11 VAL H H 1 8.533 0.003 . 1 . . . A 11 VAL H . 18169 2 109 . 3 2 11 11 VAL HA H 1 3.950 0.004 . 1 . . . A 11 VAL HA . 18169 2 110 . 3 2 11 11 VAL HB H 1 2.373 0.002 . 1 . . . A 11 VAL HB . 18169 2 111 . 3 2 11 11 VAL HG11 H 1 1.258 0.001 . 2 . . . A 11 VAL HG11 . 18169 2 112 . 3 2 11 11 VAL HG12 H 1 1.258 0.001 . 2 . . . A 11 VAL HG12 . 18169 2 113 . 3 2 11 11 VAL HG13 H 1 1.258 0.001 . 2 . . . A 11 VAL HG13 . 18169 2 114 . 3 2 11 11 VAL HG21 H 1 0.939 0.003 . 2 . . . A 11 VAL HG21 . 18169 2 115 . 3 2 11 11 VAL HG22 H 1 0.939 0.003 . 2 . . . A 11 VAL HG22 . 18169 2 116 . 3 2 11 11 VAL HG23 H 1 0.939 0.003 . 2 . . . A 11 VAL HG23 . 18169 2 117 . 3 2 11 11 VAL C C 13 180.348 0.004 . 1 . . . A 11 VAL C . 18169 2 118 . 3 2 11 11 VAL CA C 13 66.444 0.004 . 1 . . . A 11 VAL CA . 18169 2 119 . 3 2 11 11 VAL CB C 13 31.924 0.055 . 1 . . . A 11 VAL CB . 18169 2 120 . 3 2 11 11 VAL CG1 C 13 23.255 0.019 . 2 . . . A 11 VAL CG1 . 18169 2 121 . 3 2 11 11 VAL CG2 C 13 21.423 0.011 . 2 . . . A 11 VAL CG2 . 18169 2 122 . 3 2 11 11 VAL N N 15 121.136 0.019 . 1 . . . A 11 VAL N . 18169 2 123 . 3 2 12 12 MET H H 1 8.668 0.003 . 1 . . . A 12 MET H . 18169 2 124 . 3 2 12 12 MET HA H 1 4.047 0.005 . 1 . . . A 12 MET HA . 18169 2 125 . 3 2 12 12 MET HB2 H 1 2.400 0.002 . 2 . . . A 12 MET HB2 . 18169 2 126 . 3 2 12 12 MET HB3 H 1 2.400 0.002 . 2 . . . A 12 MET HB3 . 18169 2 127 . 3 2 12 12 MET HG2 H 1 2.698 0.002 . 2 . . . A 12 MET HG2 . 18169 2 128 . 3 2 12 12 MET HG3 H 1 2.397 0.003 . 2 . . . A 12 MET HG3 . 18169 2 129 . 3 2 12 12 MET HE1 H 1 1.878 0.004 . 1 . . . A 12 MET HE1 . 18169 2 130 . 3 2 12 12 MET HE2 H 1 1.878 0.004 . 1 . . . A 12 MET HE2 . 18169 2 131 . 3 2 12 12 MET HE3 H 1 1.878 0.004 . 1 . . . A 12 MET HE3 . 18169 2 132 . 3 2 12 12 MET C C 13 179.221 0.004 . 1 . . . A 12 MET C . 18169 2 133 . 3 2 12 12 MET CA C 13 61.089 0.040 . 1 . . . A 12 MET CA . 18169 2 134 . 3 2 12 12 MET CB C 13 33.507 0.035 . 1 . . . A 12 MET CB . 18169 2 135 . 3 2 12 12 MET CG C 13 32.230 0.044 . 1 . . . A 12 MET CG . 18169 2 136 . 3 2 12 12 MET CE C 13 17.299 0.012 . 1 . . . A 12 MET CE . 18169 2 137 . 3 2 12 12 MET N N 15 124.577 0.027 . 1 . . . A 12 MET N . 18169 2 138 . 3 2 13 13 VAL H H 1 8.298 0.007 . 1 . . . A 13 VAL H . 18169 2 139 . 3 2 13 13 VAL HA H 1 4.086 0.006 . 1 . . . A 13 VAL HA . 18169 2 140 . 3 2 13 13 VAL HB H 1 2.394 0.003 . 1 . . . A 13 VAL HB . 18169 2 141 . 3 2 13 13 VAL HG11 H 1 1.275 0.004 . 2 . . . A 13 VAL HG11 . 18169 2 142 . 3 2 13 13 VAL HG12 H 1 1.275 0.004 . 2 . . . A 13 VAL HG12 . 18169 2 143 . 3 2 13 13 VAL HG13 H 1 1.275 0.004 . 2 . . . A 13 VAL HG13 . 18169 2 144 . 3 2 13 13 VAL HG21 H 1 0.854 0.002 . 2 . . . A 13 VAL HG21 . 18169 2 145 . 3 2 13 13 VAL HG22 H 1 0.854 0.002 . 2 . . . A 13 VAL HG22 . 18169 2 146 . 3 2 13 13 VAL HG23 H 1 0.854 0.002 . 2 . . . A 13 VAL HG23 . 18169 2 147 . 3 2 13 13 VAL C C 13 178.094 0.004 . 1 . . . A 13 VAL C . 18169 2 148 . 3 2 13 13 VAL CA C 13 66.864 0.032 . 1 . . . A 13 VAL CA . 18169 2 149 . 3 2 13 13 VAL CB C 13 32.938 0.084 . 1 . . . A 13 VAL CB . 18169 2 150 . 3 2 13 13 VAL CG1 C 13 22.966 0.025 . 2 . . . A 13 VAL CG1 . 18169 2 151 . 3 2 13 13 VAL CG2 C 13 21.688 0.050 . 2 . . . A 13 VAL CG2 . 18169 2 152 . 3 2 13 13 VAL N N 15 119.494 0.035 . 1 . . . A 13 VAL N . 18169 2 153 . 3 2 14 14 SER H H 1 9.092 0.007 . 1 . . . A 14 SER H . 18169 2 154 . 3 2 14 14 SER HA H 1 4.150 0.001 . 1 . . . A 14 SER HA . 18169 2 155 . 3 2 14 14 SER C C 13 178.526 0.004 . 1 . . . A 14 SER C . 18169 2 156 . 3 2 14 14 SER CA C 13 62.892 0.008 . 1 . . . A 14 SER CA . 18169 2 157 . 3 2 14 14 SER N N 15 115.022 0.047 . 1 . . . A 14 SER N . 18169 2 158 . 3 2 15 15 THR H H 1 8.722 0.004 . 1 . . . A 15 THR H . 18169 2 159 . 3 2 15 15 THR HA H 1 4.400 0.004 . 1 . . . A 15 THR HA . 18169 2 160 . 3 2 15 15 THR HB H 1 4.001 0.003 . 1 . . . A 15 THR HB . 18169 2 161 . 3 2 15 15 THR HG21 H 1 1.520 0.002 . 1 . . . A 15 THR HG21 . 18169 2 162 . 3 2 15 15 THR HG22 H 1 1.520 0.002 . 1 . . . A 15 THR HG22 . 18169 2 163 . 3 2 15 15 THR HG23 H 1 1.520 0.002 . 1 . . . A 15 THR HG23 . 18169 2 164 . 3 2 15 15 THR C C 13 174.921 0.004 . 1 . . . A 15 THR C . 18169 2 165 . 3 2 15 15 THR CA C 13 68.181 0.027 . 1 . . . A 15 THR CA . 18169 2 166 . 3 2 15 15 THR CB C 13 68.152 0.020 . 1 . . . A 15 THR CB . 18169 2 167 . 3 2 15 15 THR CG2 C 13 22.349 0.015 . 1 . . . A 15 THR CG2 . 18169 2 168 . 3 2 15 15 THR N N 15 118.291 0.015 . 1 . . . A 15 THR N . 18169 2 169 . 3 2 16 16 PHE H H 1 6.982 0.004 . 1 . . . A 16 PHE H . 18169 2 170 . 3 2 16 16 PHE HA H 1 3.625 0.002 . 1 . . . A 16 PHE HA . 18169 2 171 . 3 2 16 16 PHE HB2 H 1 3.122 0.003 . 2 . . . A 16 PHE HB2 . 18169 2 172 . 3 2 16 16 PHE HB3 H 1 2.597 0.006 . 2 . . . A 16 PHE HB3 . 18169 2 173 . 3 2 16 16 PHE HD1 H 1 5.627 0.001 . 3 . . . A 16 PHE HD1 . 18169 2 174 . 3 2 16 16 PHE HD2 H 1 5.627 0.001 . 3 . . . A 16 PHE HD2 . 18169 2 175 . 3 2 16 16 PHE HE1 H 1 6.283 0.002 . 3 . . . A 16 PHE HE1 . 18169 2 176 . 3 2 16 16 PHE HE2 H 1 6.283 0.002 . 3 . . . A 16 PHE HE2 . 18169 2 177 . 3 2 16 16 PHE C C 13 176.992 0.004 . 1 . . . A 16 PHE C . 18169 2 178 . 3 2 16 16 PHE CA C 13 62.683 0.013 . 1 . . . A 16 PHE CA . 18169 2 179 . 3 2 16 16 PHE CB C 13 39.680 0.026 . 1 . . . A 16 PHE CB . 18169 2 180 . 3 2 16 16 PHE CD1 C 13 131.823 0.004 . 3 . . . A 16 PHE CD1 . 18169 2 181 . 3 2 16 16 PHE CD2 C 13 131.823 0.004 . 3 . . . A 16 PHE CD2 . 18169 2 182 . 3 2 16 16 PHE CE1 C 13 135.772 0.016 . 3 . . . A 16 PHE CE1 . 18169 2 183 . 3 2 16 16 PHE CE2 C 13 135.772 0.016 . 3 . . . A 16 PHE CE2 . 18169 2 184 . 3 2 16 16 PHE N N 15 119.226 0.021 . 1 . . . A 16 PHE N . 18169 2 185 . 3 2 17 17 HIS H H 1 7.052 0.004 . 1 . . . A 17 HIS H . 18169 2 186 . 3 2 17 17 HIS HA H 1 4.862 0.004 . 1 . . . A 17 HIS HA . 18169 2 187 . 3 2 17 17 HIS HB2 H 1 3.330 0.003 . 2 . . . A 17 HIS HB2 . 18169 2 188 . 3 2 17 17 HIS HB3 H 1 2.879 0.002 . 2 . . . A 17 HIS HB3 . 18169 2 189 . 3 2 17 17 HIS HD2 H 1 7.313 0.011 . 1 . . . A 17 HIS HD2 . 18169 2 190 . 3 2 17 17 HIS CA C 13 57.543 0.015 . 1 . . . A 17 HIS CA . 18169 2 191 . 3 2 17 17 HIS CB C 13 29.977 0.017 . 1 . . . A 17 HIS CB . 18169 2 192 . 3 2 17 17 HIS CD2 C 13 120.489 0.004 . 1 . . . A 17 HIS CD2 . 18169 2 193 . 3 2 17 17 HIS N N 15 114.667 0.054 . 1 . . . A 17 HIS N . 18169 2 194 . 3 2 18 18 LYS H H 1 7.923 0.006 . 1 . . . A 18 LYS H . 18169 2 195 . 3 2 18 18 LYS HA H 1 3.942 0.002 . 1 . . . A 18 LYS HA . 18169 2 196 . 3 2 18 18 LYS HB2 H 1 1.910 0.007 . 2 . . . A 18 LYS HB2 . 18169 2 197 . 3 2 18 18 LYS HB3 H 1 1.888 0.008 . 2 . . . A 18 LYS HB3 . 18169 2 198 . 3 2 18 18 LYS HG2 H 1 1.370 0.005 . 2 . . . A 18 LYS HG2 . 18169 2 199 . 3 2 18 18 LYS HG3 H 1 0.720 0.005 . 2 . . . A 18 LYS HG3 . 18169 2 200 . 3 2 18 18 LYS HD2 H 1 1.731 0.004 . 2 . . . A 18 LYS HD2 . 18169 2 201 . 3 2 18 18 LYS HD3 H 1 1.664 0.004 . 2 . . . A 18 LYS HD3 . 18169 2 202 . 3 2 18 18 LYS HE2 H 1 2.949 0.005 . 2 . . . A 18 LYS HE2 . 18169 2 203 . 3 2 18 18 LYS HE3 H 1 2.954 0.003 . 2 . . . A 18 LYS HE3 . 18169 2 204 . 3 2 18 18 LYS C C 13 176.704 0.004 . 1 . . . A 18 LYS C . 18169 2 205 . 3 2 18 18 LYS CA C 13 58.994 0.011 . 1 . . . A 18 LYS CA . 18169 2 206 . 3 2 18 18 LYS CB C 13 32.533 0.022 . 1 . . . A 18 LYS CB . 18169 2 207 . 3 2 18 18 LYS CG C 13 24.829 0.010 . 1 . . . A 18 LYS CG . 18169 2 208 . 3 2 18 18 LYS CD C 13 30.165 0.010 . 1 . . . A 18 LYS CD . 18169 2 209 . 3 2 18 18 LYS CE C 13 42.301 0.008 . 1 . . . A 18 LYS CE . 18169 2 210 . 3 2 18 18 LYS N N 15 121.764 0.037 . 1 . . . A 18 LYS N . 18169 2 211 . 3 2 19 19 TYR H H 1 6.825 0.008 . 1 . . . A 19 TYR H . 18169 2 212 . 3 2 19 19 TYR HA H 1 4.340 0.004 . 1 . . . A 19 TYR HA . 18169 2 213 . 3 2 19 19 TYR HB2 H 1 2.936 0.003 . 2 . . . A 19 TYR HB2 . 18169 2 214 . 3 2 19 19 TYR HB3 H 1 2.352 0.002 . 2 . . . A 19 TYR HB3 . 18169 2 215 . 3 2 19 19 TYR HD1 H 1 7.414 0.004 . 3 . . . A 19 TYR HD1 . 18169 2 216 . 3 2 19 19 TYR HD2 H 1 7.414 0.004 . 3 . . . A 19 TYR HD2 . 18169 2 217 . 3 2 19 19 TYR HE1 H 1 6.847 0.003 . 3 . . . A 19 TYR HE1 . 18169 2 218 . 3 2 19 19 TYR HE2 H 1 6.847 0.003 . 3 . . . A 19 TYR HE2 . 18169 2 219 . 3 2 19 19 TYR C C 13 176.245 0.004 . 1 . . . A 19 TYR C . 18169 2 220 . 3 2 19 19 TYR CA C 13 59.737 0.029 . 1 . . . A 19 TYR CA . 18169 2 221 . 3 2 19 19 TYR CB C 13 41.020 0.018 . 1 . . . A 19 TYR CB . 18169 2 222 . 3 2 19 19 TYR CD1 C 13 133.788 0.004 . 3 . . . A 19 TYR CD1 . 18169 2 223 . 3 2 19 19 TYR CD2 C 13 133.788 0.004 . 3 . . . A 19 TYR CD2 . 18169 2 224 . 3 2 19 19 TYR CE1 C 13 117.619 0.004 . 3 . . . A 19 TYR CE1 . 18169 2 225 . 3 2 19 19 TYR CE2 C 13 117.619 0.004 . 3 . . . A 19 TYR CE2 . 18169 2 226 . 3 2 19 19 TYR N N 15 113.070 0.020 . 1 . . . A 19 TYR N . 18169 2 227 . 3 2 20 20 SER H H 1 8.521 0.004 . 1 . . . A 20 SER H . 18169 2 228 . 3 2 20 20 SER HA H 1 3.571 0.001 . 1 . . . A 20 SER HA . 18169 2 229 . 3 2 20 20 SER HB2 H 1 3.111 0.006 . 2 . . . A 20 SER HB2 . 18169 2 230 . 3 2 20 20 SER HB3 H 1 2.273 0.003 . 2 . . . A 20 SER HB3 . 18169 2 231 . 3 2 20 20 SER C C 13 176.901 0.004 . 1 . . . A 20 SER C . 18169 2 232 . 3 2 20 20 SER CA C 13 62.036 0.043 . 1 . . . A 20 SER CA . 18169 2 233 . 3 2 20 20 SER CB C 13 61.186 0.039 . 1 . . . A 20 SER CB . 18169 2 234 . 3 2 20 20 SER N N 15 114.117 0.012 . 1 . . . A 20 SER N . 18169 2 235 . 3 2 21 21 GLY H H 1 7.700 0.002 . 1 . . . A 21 GLY H . 18169 2 236 . 3 2 21 21 GLY HA2 H 1 4.143 0.002 . 2 . . . A 21 GLY HA2 . 18169 2 237 . 3 2 21 21 GLY HA3 H 1 3.888 0.006 . 2 . . . A 21 GLY HA3 . 18169 2 238 . 3 2 21 21 GLY C C 13 173.741 0.004 . 1 . . . A 21 GLY C . 18169 2 239 . 3 2 21 21 GLY CA C 13 45.547 0.014 . 1 . . . A 21 GLY CA . 18169 2 240 . 3 2 21 21 GLY N N 15 109.980 0.015 . 1 . . . A 21 GLY N . 18169 2 241 . 3 2 22 22 LYS H H 1 7.243 0.004 . 1 . . . A 22 LYS H . 18169 2 242 . 3 2 22 22 LYS HA H 1 3.999 0.002 . 1 . . . A 22 LYS HA . 18169 2 243 . 3 2 22 22 LYS HB2 H 1 2.192 0.004 . 2 . . . A 22 LYS HB2 . 18169 2 244 . 3 2 22 22 LYS HB3 H 1 2.038 0.002 . 2 . . . A 22 LYS HB3 . 18169 2 245 . 3 2 22 22 LYS HG2 H 1 1.743 0.007 . 2 . . . A 22 LYS HG2 . 18169 2 246 . 3 2 22 22 LYS HG3 H 1 1.473 0.002 . 2 . . . A 22 LYS HG3 . 18169 2 247 . 3 2 22 22 LYS HD2 H 1 1.913 0.006 . 2 . . . A 22 LYS HD2 . 18169 2 248 . 3 2 22 22 LYS HD3 H 1 1.807 0.003 . 2 . . . A 22 LYS HD3 . 18169 2 249 . 3 2 22 22 LYS HE2 H 1 3.036 0.003 . 2 . . . A 22 LYS HE2 . 18169 2 250 . 3 2 22 22 LYS HE3 H 1 3.034 0.001 . 2 . . . A 22 LYS HE3 . 18169 2 251 . 3 2 22 22 LYS C C 13 177.569 0.004 . 1 . . . A 22 LYS C . 18169 2 252 . 3 2 22 22 LYS CA C 13 60.218 0.016 . 1 . . . A 22 LYS CA . 18169 2 253 . 3 2 22 22 LYS CB C 13 32.989 0.025 . 1 . . . A 22 LYS CB . 18169 2 254 . 3 2 22 22 LYS CG C 13 25.926 0.036 . 1 . . . A 22 LYS CG . 18169 2 255 . 3 2 22 22 LYS CD C 13 29.229 0.014 . 1 . . . A 22 LYS CD . 18169 2 256 . 3 2 22 22 LYS CE C 13 42.273 0.012 . 1 . . . A 22 LYS CE . 18169 2 257 . 3 2 22 22 LYS N N 15 122.101 0.059 . 1 . . . A 22 LYS N . 18169 2 258 . 3 2 23 23 GLU H H 1 9.611 0.002 . 1 . . . A 23 GLU H . 18169 2 259 . 3 2 23 23 GLU HA H 1 4.651 0.001 . 1 . . . A 23 GLU HA . 18169 2 260 . 3 2 23 23 GLU HB2 H 1 1.986 0.003 . 2 . . . A 23 GLU HB2 . 18169 2 261 . 3 2 23 23 GLU HB3 H 1 1.828 0.003 . 2 . . . A 23 GLU HB3 . 18169 2 262 . 3 2 23 23 GLU HG2 H 1 2.252 0.004 . 2 . . . A 23 GLU HG2 . 18169 2 263 . 3 2 23 23 GLU HG3 H 1 2.142 0.010 . 2 . . . A 23 GLU HG3 . 18169 2 264 . 3 2 23 23 GLU C C 13 177.005 0.004 . 1 . . . A 23 GLU C . 18169 2 265 . 3 2 23 23 GLU CA C 13 54.583 0.014 . 1 . . . A 23 GLU CA . 18169 2 266 . 3 2 23 23 GLU CB C 13 34.331 0.017 . 1 . . . A 23 GLU CB . 18169 2 267 . 3 2 23 23 GLU CG C 13 35.991 0.009 . 1 . . . A 23 GLU CG . 18169 2 268 . 3 2 23 23 GLU N N 15 116.364 0.018 . 1 . . . A 23 GLU N . 18169 2 269 . 3 2 24 24 GLY H H 1 8.992 0.002 . 1 . . . A 24 GLY H . 18169 2 270 . 3 2 24 24 GLY HA2 H 1 3.943 0.003 . 2 . . . A 24 GLY HA2 . 18169 2 271 . 3 2 24 24 GLY HA3 H 1 3.784 0.005 . 2 . . . A 24 GLY HA3 . 18169 2 272 . 3 2 24 24 GLY C C 13 173.728 0.004 . 1 . . . A 24 GLY C . 18169 2 273 . 3 2 24 24 GLY CA C 13 46.452 0.011 . 1 . . . A 24 GLY CA . 18169 2 274 . 3 2 24 24 GLY N N 15 113.470 0.029 . 1 . . . A 24 GLY N . 18169 2 275 . 3 2 25 25 ASP H H 1 8.604 0.005 . 1 . . . A 25 ASP H . 18169 2 276 . 3 2 25 25 ASP HA H 1 4.490 0.002 . 1 . . . A 25 ASP HA . 18169 2 277 . 3 2 25 25 ASP HB2 H 1 2.889 0.003 . 2 . . . A 25 ASP HB2 . 18169 2 278 . 3 2 25 25 ASP HB3 H 1 2.710 0.002 . 2 . . . A 25 ASP HB3 . 18169 2 279 . 3 2 25 25 ASP C C 13 179.457 0.004 . 1 . . . A 25 ASP C . 18169 2 280 . 3 2 25 25 ASP CA C 13 55.259 0.019 . 1 . . . A 25 ASP CA . 18169 2 281 . 3 2 25 25 ASP CB C 13 41.929 0.025 . 1 . . . A 25 ASP CB . 18169 2 282 . 3 2 25 25 ASP N N 15 126.249 0.015 . 1 . . . A 25 ASP N . 18169 2 283 . 3 2 26 26 LYS H H 1 9.346 0.006 . 1 . . . A 26 LYS H . 18169 2 284 . 3 2 26 26 LYS HA H 1 4.412 0.002 . 1 . . . A 26 LYS HA . 18169 2 285 . 3 2 26 26 LYS HB2 H 1 1.593 0.005 . 2 . . . A 26 LYS HB2 . 18169 2 286 . 3 2 26 26 LYS HB3 H 1 1.432 0.003 . 2 . . . A 26 LYS HB3 . 18169 2 287 . 3 2 26 26 LYS HG2 H 1 1.298 0.004 . 2 . . . A 26 LYS HG2 . 18169 2 288 . 3 2 26 26 LYS HG3 H 1 1.268 0.005 . 2 . . . A 26 LYS HG3 . 18169 2 289 . 3 2 26 26 LYS HD2 H 1 1.632 0.002 . 2 . . . A 26 LYS HD2 . 18169 2 290 . 3 2 26 26 LYS HD3 H 1 1.632 0.002 . 2 . . . A 26 LYS HD3 . 18169 2 291 . 3 2 26 26 LYS HE2 H 1 3.002 0.004 . 2 . . . A 26 LYS HE2 . 18169 2 292 . 3 2 26 26 LYS HE3 H 1 3.002 0.004 . 2 . . . A 26 LYS HE3 . 18169 2 293 . 3 2 26 26 LYS C C 13 176.874 0.004 . 1 . . . A 26 LYS C . 18169 2 294 . 3 2 26 26 LYS CA C 13 58.025 0.026 . 1 . . . A 26 LYS CA . 18169 2 295 . 3 2 26 26 LYS CB C 13 31.430 0.013 . 1 . . . A 26 LYS CB . 18169 2 296 . 3 2 26 26 LYS CG C 13 25.000 0.019 . 1 . . . A 26 LYS CG . 18169 2 297 . 3 2 26 26 LYS CD C 13 29.194 0.012 . 1 . . . A 26 LYS CD . 18169 2 298 . 3 2 26 26 LYS CE C 13 42.361 0.004 . 1 . . . A 26 LYS CE . 18169 2 299 . 3 2 26 26 LYS N N 15 131.920 0.025 . 1 . . . A 26 LYS N . 18169 2 300 . 3 2 27 27 PHE H H 1 9.570 0.005 . 1 . . . A 27 PHE H . 18169 2 301 . 3 2 27 27 PHE HA H 1 4.849 0.009 . 1 . . . A 27 PHE HA . 18169 2 302 . 3 2 27 27 PHE HB2 H 1 3.780 0.005 . 2 . . . A 27 PHE HB2 . 18169 2 303 . 3 2 27 27 PHE HB3 H 1 3.166 0.004 . 2 . . . A 27 PHE HB3 . 18169 2 304 . 3 2 27 27 PHE HD1 H 1 7.495 0.005 . 3 . . . A 27 PHE HD1 . 18169 2 305 . 3 2 27 27 PHE HD2 H 1 7.495 0.005 . 3 . . . A 27 PHE HD2 . 18169 2 306 . 3 2 27 27 PHE HE1 H 1 7.423 0.011 . 3 . . . A 27 PHE HE1 . 18169 2 307 . 3 2 27 27 PHE HE2 H 1 7.423 0.011 . 3 . . . A 27 PHE HE2 . 18169 2 308 . 3 2 27 27 PHE C C 13 173.702 0.004 . 1 . . . A 27 PHE C . 18169 2 309 . 3 2 27 27 PHE CA C 13 56.203 0.016 . 1 . . . A 27 PHE CA . 18169 2 310 . 3 2 27 27 PHE CB C 13 39.146 0.011 . 1 . . . A 27 PHE CB . 18169 2 311 . 3 2 27 27 PHE CD1 C 13 131.727 0.153 . 3 . . . A 27 PHE CD1 . 18169 2 312 . 3 2 27 27 PHE CD2 C 13 131.727 0.153 . 3 . . . A 27 PHE CD2 . 18169 2 313 . 3 2 27 27 PHE CE1 C 13 129.844 0.042 . 3 . . . A 27 PHE CE1 . 18169 2 314 . 3 2 27 27 PHE CE2 C 13 129.844 0.042 . 3 . . . A 27 PHE CE2 . 18169 2 315 . 3 2 27 27 PHE N N 15 119.935 0.029 . 1 . . . A 27 PHE N . 18169 2 316 . 3 2 28 28 LYS H H 1 7.206 0.002 . 1 . . . A 28 LYS H . 18169 2 317 . 3 2 28 28 LYS HA H 1 5.158 0.005 . 1 . . . A 28 LYS HA . 18169 2 318 . 3 2 28 28 LYS HB2 H 1 1.739 0.012 . 2 . . . A 28 LYS HB2 . 18169 2 319 . 3 2 28 28 LYS HB3 H 1 1.747 0.011 . 2 . . . A 28 LYS HB3 . 18169 2 320 . 3 2 28 28 LYS HG2 H 1 1.523 0.009 . 2 . . . A 28 LYS HG2 . 18169 2 321 . 3 2 28 28 LYS HG3 H 1 1.339 0.004 . 2 . . . A 28 LYS HG3 . 18169 2 322 . 3 2 28 28 LYS HD2 H 1 1.715 0.010 . 2 . . . A 28 LYS HD2 . 18169 2 323 . 3 2 28 28 LYS HD3 H 1 1.514 0.002 . 2 . . . A 28 LYS HD3 . 18169 2 324 . 3 2 28 28 LYS HE2 H 1 3.137 0.009 . 2 . . . A 28 LYS HE2 . 18169 2 325 . 3 2 28 28 LYS HE3 H 1 3.137 0.009 . 2 . . . A 28 LYS HE3 . 18169 2 326 . 3 2 28 28 LYS C C 13 174.606 0.004 . 1 . . . A 28 LYS C . 18169 2 327 . 3 2 28 28 LYS CA C 13 55.386 0.057 . 1 . . . A 28 LYS CA . 18169 2 328 . 3 2 28 28 LYS CB C 13 39.126 0.011 . 1 . . . A 28 LYS CB . 18169 2 329 . 3 2 28 28 LYS CG C 13 26.294 0.034 . 1 . . . A 28 LYS CG . 18169 2 330 . 3 2 28 28 LYS CD C 13 30.359 0.017 . 1 . . . A 28 LYS CD . 18169 2 331 . 3 2 28 28 LYS CE C 13 42.213 0.002 . 1 . . . A 28 LYS CE . 18169 2 332 . 3 2 28 28 LYS N N 15 115.200 0.017 . 1 . . . A 28 LYS N . 18169 2 333 . 3 2 29 29 LEU H H 1 9.659 0.005 . 1 . . . A 29 LEU H . 18169 2 334 . 3 2 29 29 LEU HA H 1 5.281 0.010 . 1 . . . A 29 LEU HA . 18169 2 335 . 3 2 29 29 LEU HB2 H 1 2.146 0.005 . 2 . . . A 29 LEU HB2 . 18169 2 336 . 3 2 29 29 LEU HB3 H 1 1.240 0.007 . 2 . . . A 29 LEU HB3 . 18169 2 337 . 3 2 29 29 LEU HG H 1 1.196 0.002 . 1 . . . A 29 LEU HG . 18169 2 338 . 3 2 29 29 LEU HD11 H 1 0.732 0.010 . 2 . . . A 29 LEU HD11 . 18169 2 339 . 3 2 29 29 LEU HD12 H 1 0.732 0.010 . 2 . . . A 29 LEU HD12 . 18169 2 340 . 3 2 29 29 LEU HD13 H 1 0.732 0.010 . 2 . . . A 29 LEU HD13 . 18169 2 341 . 3 2 29 29 LEU HD21 H 1 0.280 0.003 . 2 . . . A 29 LEU HD21 . 18169 2 342 . 3 2 29 29 LEU HD22 H 1 0.280 0.003 . 2 . . . A 29 LEU HD22 . 18169 2 343 . 3 2 29 29 LEU HD23 H 1 0.280 0.003 . 2 . . . A 29 LEU HD23 . 18169 2 344 . 3 2 29 29 LEU C C 13 176.022 0.004 . 1 . . . A 29 LEU C . 18169 2 345 . 3 2 29 29 LEU CA C 13 52.734 0.017 . 1 . . . A 29 LEU CA . 18169 2 346 . 3 2 29 29 LEU CB C 13 43.648 0.063 . 1 . . . A 29 LEU CB . 18169 2 347 . 3 2 29 29 LEU CG C 13 25.455 0.004 . 1 . . . A 29 LEU CG . 18169 2 348 . 3 2 29 29 LEU CD1 C 13 27.563 0.025 . 2 . . . A 29 LEU CD1 . 18169 2 349 . 3 2 29 29 LEU CD2 C 13 24.478 0.004 . 2 . . . A 29 LEU CD2 . 18169 2 350 . 3 2 29 29 LEU N N 15 125.725 0.020 . 1 . . . A 29 LEU N . 18169 2 351 . 3 2 30 30 ASN H H 1 9.591 0.008 . 1 . . . A 30 ASN H . 18169 2 352 . 3 2 30 30 ASN HA H 1 4.803 0.005 . 1 . . . A 30 ASN HA . 18169 2 353 . 3 2 30 30 ASN HB2 H 1 3.486 0.016 . 2 . . . A 30 ASN HB2 . 18169 2 354 . 3 2 30 30 ASN HB3 H 1 3.052 0.003 . 2 . . . A 30 ASN HB3 . 18169 2 355 . 3 2 30 30 ASN HD21 H 1 7.609 0.003 . 2 . . . A 30 ASN HD21 . 18169 2 356 . 3 2 30 30 ASN HD22 H 1 7.451 0.001 . 2 . . . A 30 ASN HD22 . 18169 2 357 . 3 2 30 30 ASN C C 13 175.354 0.004 . 1 . . . A 30 ASN C . 18169 2 358 . 3 2 30 30 ASN CA C 13 50.847 0.012 . 1 . . . A 30 ASN CA . 18169 2 359 . 3 2 30 30 ASN CB C 13 37.565 0.010 . 1 . . . A 30 ASN CB . 18169 2 360 . 3 2 30 30 ASN N N 15 123.410 0.018 . 1 . . . A 30 ASN N . 18169 2 361 . 3 2 30 30 ASN ND2 N 15 109.911 0.002 . 1 . . . A 30 ASN ND2 . 18169 2 362 . 3 2 31 31 LYS H H 1 8.346 0.005 . 1 . . . A 31 LYS H . 18169 2 363 . 3 2 31 31 LYS HA H 1 4.086 0.003 . 1 . . . A 31 LYS HA . 18169 2 364 . 3 2 31 31 LYS HB2 H 1 1.904 0.003 . 2 . . . A 31 LYS HB2 . 18169 2 365 . 3 2 31 31 LYS HB3 H 1 1.904 0.003 . 2 . . . A 31 LYS HB3 . 18169 2 366 . 3 2 31 31 LYS HG2 H 1 1.587 0.002 . 2 . . . A 31 LYS HG2 . 18169 2 367 . 3 2 31 31 LYS HG3 H 1 1.499 0.002 . 2 . . . A 31 LYS HG3 . 18169 2 368 . 3 2 31 31 LYS HD2 H 1 1.773 0.001 . 2 . . . A 31 LYS HD2 . 18169 2 369 . 3 2 31 31 LYS HD3 H 1 1.774 0.001 . 2 . . . A 31 LYS HD3 . 18169 2 370 . 3 2 31 31 LYS HE2 H 1 3.058 0.004 . 2 . . . A 31 LYS HE2 . 18169 2 371 . 3 2 31 31 LYS HE3 H 1 3.058 0.004 . 2 . . . A 31 LYS HE3 . 18169 2 372 . 3 2 31 31 LYS C C 13 178.002 0.004 . 1 . . . A 31 LYS C . 18169 2 373 . 3 2 31 31 LYS CA C 13 61.275 0.011 . 1 . . . A 31 LYS CA . 18169 2 374 . 3 2 31 31 LYS CB C 13 32.135 0.008 . 1 . . . A 31 LYS CB . 18169 2 375 . 3 2 31 31 LYS CG C 13 24.863 0.004 . 1 . . . A 31 LYS CG . 18169 2 376 . 3 2 31 31 LYS CD C 13 29.369 0.004 . 1 . . . A 31 LYS CD . 18169 2 377 . 3 2 31 31 LYS CE C 13 41.872 0.004 . 1 . . . A 31 LYS CE . 18169 2 378 . 3 2 31 31 LYS N N 15 116.553 0.021 . 1 . . . A 31 LYS N . 18169 2 379 . 3 2 32 32 SER H H 1 7.719 0.003 . 1 . . . A 32 SER H . 18169 2 380 . 3 2 32 32 SER HA H 1 4.146 0.003 . 1 . . . A 32 SER HA . 18169 2 381 . 3 2 32 32 SER HB2 H 1 3.995 0.001 . 2 . . . A 32 SER HB2 . 18169 2 382 . 3 2 32 32 SER HB3 H 1 3.995 0.001 . 2 . . . A 32 SER HB3 . 18169 2 383 . 3 2 32 32 SER C C 13 177.595 0.004 . 1 . . . A 32 SER C . 18169 2 384 . 3 2 32 32 SER CA C 13 61.526 0.020 . 1 . . . A 32 SER CA . 18169 2 385 . 3 2 32 32 SER CB C 13 62.844 0.004 . 1 . . . A 32 SER CB . 18169 2 386 . 3 2 32 32 SER N N 15 114.825 0.014 . 1 . . . A 32 SER N . 18169 2 387 . 3 2 33 33 GLU H H 1 8.691 0.003 . 1 . . . A 33 GLU H . 18169 2 388 . 3 2 33 33 GLU HA H 1 4.073 0.004 . 1 . . . A 33 GLU HA . 18169 2 389 . 3 2 33 33 GLU HB2 H 1 2.230 0.003 . 2 . . . A 33 GLU HB2 . 18169 2 390 . 3 2 33 33 GLU HG2 H 1 2.520 0.002 . 2 . . . A 33 GLU HG2 . 18169 2 391 . 3 2 33 33 GLU HG3 H 1 2.422 0.002 . 2 . . . A 33 GLU HG3 . 18169 2 392 . 3 2 33 33 GLU C C 13 178.592 0.004 . 1 . . . A 33 GLU C . 18169 2 393 . 3 2 33 33 GLU CA C 13 59.097 0.027 . 1 . . . A 33 GLU CA . 18169 2 394 . 3 2 33 33 GLU CB C 13 31.085 0.005 . 1 . . . A 33 GLU CB . 18169 2 395 . 3 2 33 33 GLU CG C 13 36.277 0.004 . 1 . . . A 33 GLU CG . 18169 2 396 . 3 2 33 33 GLU N N 15 123.350 0.030 . 1 . . . A 33 GLU N . 18169 2 397 . 3 2 34 34 LEU H H 1 8.920 0.003 . 1 . . . A 34 LEU H . 18169 2 398 . 3 2 34 34 LEU HA H 1 3.986 0.003 . 1 . . . A 34 LEU HA . 18169 2 399 . 3 2 34 34 LEU HB2 H 1 2.114 0.003 . 2 . . . A 34 LEU HB2 . 18169 2 400 . 3 2 34 34 LEU HB3 H 1 1.439 0.006 . 2 . . . A 34 LEU HB3 . 18169 2 401 . 3 2 34 34 LEU HG H 1 1.642 0.003 . 1 . . . A 34 LEU HG . 18169 2 402 . 3 2 34 34 LEU HD11 H 1 0.912 0.001 . 2 . . . A 34 LEU HD11 . 18169 2 403 . 3 2 34 34 LEU HD12 H 1 0.912 0.001 . 2 . . . A 34 LEU HD12 . 18169 2 404 . 3 2 34 34 LEU HD13 H 1 0.912 0.001 . 2 . . . A 34 LEU HD13 . 18169 2 405 . 3 2 34 34 LEU HD21 H 1 0.853 0.001 . 2 . . . A 34 LEU HD21 . 18169 2 406 . 3 2 34 34 LEU HD22 H 1 0.853 0.001 . 2 . . . A 34 LEU HD22 . 18169 2 407 . 3 2 34 34 LEU HD23 H 1 0.853 0.001 . 2 . . . A 34 LEU HD23 . 18169 2 408 . 3 2 34 34 LEU C C 13 177.831 0.004 . 1 . . . A 34 LEU C . 18169 2 409 . 3 2 34 34 LEU CA C 13 58.016 0.004 . 1 . . . A 34 LEU CA . 18169 2 410 . 3 2 34 34 LEU CB C 13 41.867 0.004 . 1 . . . A 34 LEU CB . 18169 2 411 . 3 2 34 34 LEU CG C 13 27.402 0.038 . 1 . . . A 34 LEU CG . 18169 2 412 . 3 2 34 34 LEU CD1 C 13 26.427 0.024 . 2 . . . A 34 LEU CD1 . 18169 2 413 . 3 2 34 34 LEU CD2 C 13 22.783 0.025 . 2 . . . A 34 LEU CD2 . 18169 2 414 . 3 2 34 34 LEU N N 15 118.775 0.024 . 1 . . . A 34 LEU N . 18169 2 415 . 3 2 35 35 LYS H H 1 8.027 0.002 . 1 . . . A 35 LYS H . 18169 2 416 . 3 2 35 35 LYS HA H 1 3.543 0.004 . 1 . . . A 35 LYS HA . 18169 2 417 . 3 2 35 35 LYS HB2 H 1 1.721 0.003 . 2 . . . A 35 LYS HB2 . 18169 2 418 . 3 2 35 35 LYS HB3 H 1 1.270 0.003 . 2 . . . A 35 LYS HB3 . 18169 2 419 . 3 2 35 35 LYS HG2 H 1 0.778 0.002 . 2 . . . A 35 LYS HG2 . 18169 2 420 . 3 2 35 35 LYS HG3 H 1 0.778 0.002 . 2 . . . A 35 LYS HG3 . 18169 2 421 . 3 2 35 35 LYS HD2 H 1 1.332 0.007 . 2 . . . A 35 LYS HD2 . 18169 2 422 . 3 2 35 35 LYS HD3 H 1 1.218 0.004 . 2 . . . A 35 LYS HD3 . 18169 2 423 . 3 2 35 35 LYS HE2 H 1 2.665 0.003 . 2 . . . A 35 LYS HE2 . 18169 2 424 . 3 2 35 35 LYS HE3 H 1 2.665 0.003 . 2 . . . A 35 LYS HE3 . 18169 2 425 . 3 2 35 35 LYS C C 13 179.286 0.004 . 1 . . . A 35 LYS C . 18169 2 426 . 3 2 35 35 LYS CA C 13 60.205 0.011 . 1 . . . A 35 LYS CA . 18169 2 427 . 3 2 35 35 LYS CB C 13 31.956 0.018 . 1 . . . A 35 LYS CB . 18169 2 428 . 3 2 35 35 LYS CG C 13 24.374 0.070 . 1 . . . A 35 LYS CG . 18169 2 429 . 3 2 35 35 LYS CD C 13 29.679 0.027 . 1 . . . A 35 LYS CD . 18169 2 430 . 3 2 35 35 LYS CE C 13 41.706 0.041 . 1 . . . A 35 LYS CE . 18169 2 431 . 3 2 35 35 LYS N N 15 118.446 0.016 . 1 . . . A 35 LYS N . 18169 2 432 . 3 2 36 36 GLU H H 1 7.851 0.002 . 1 . . . A 36 GLU H . 18169 2 433 . 3 2 36 36 GLU HA H 1 3.832 0.002 . 1 . . . A 36 GLU HA . 18169 2 434 . 3 2 36 36 GLU HB2 H 1 2.190 0.003 . 2 . . . A 36 GLU HB2 . 18169 2 435 . 3 2 36 36 GLU HB3 H 1 2.189 0.003 . 2 . . . A 36 GLU HB3 . 18169 2 436 . 3 2 36 36 GLU HG2 H 1 2.517 0.018 . 2 . . . A 36 GLU HG2 . 18169 2 437 . 3 2 36 36 GLU HG3 H 1 2.413 0.001 . 2 . . . A 36 GLU HG3 . 18169 2 438 . 3 2 36 36 GLU C C 13 176.376 0.004 . 1 . . . A 36 GLU C . 18169 2 439 . 3 2 36 36 GLU CA C 13 60.031 0.006 . 1 . . . A 36 GLU CA . 18169 2 440 . 3 2 36 36 GLU CB C 13 29.557 0.035 . 1 . . . A 36 GLU CB . 18169 2 441 . 3 2 36 36 GLU CG C 13 36.885 0.004 . 1 . . . A 36 GLU CG . 18169 2 442 . 3 2 36 36 GLU N N 15 121.478 0.023 . 1 . . . A 36 GLU N . 18169 2 443 . 3 2 37 37 LEU H H 1 7.943 0.004 . 1 . . . A 37 LEU H . 18169 2 444 . 3 2 37 37 LEU HA H 1 2.596 0.002 . 1 . . . A 37 LEU HA . 18169 2 445 . 3 2 37 37 LEU HB2 H 1 1.674 0.006 . 2 . . . A 37 LEU HB2 . 18169 2 446 . 3 2 37 37 LEU HB3 H 1 1.164 0.016 . 2 . . . A 37 LEU HB3 . 18169 2 447 . 3 2 37 37 LEU HG H 1 1.315 0.003 . 1 . . . A 37 LEU HG . 18169 2 448 . 3 2 37 37 LEU HD11 H 1 0.910 0.004 . 2 . . . A 37 LEU HD11 . 18169 2 449 . 3 2 37 37 LEU HD12 H 1 0.910 0.004 . 2 . . . A 37 LEU HD12 . 18169 2 450 . 3 2 37 37 LEU HD13 H 1 0.910 0.004 . 2 . . . A 37 LEU HD13 . 18169 2 451 . 3 2 37 37 LEU HD21 H 1 0.863 0.006 . 2 . . . A 37 LEU HD21 . 18169 2 452 . 3 2 37 37 LEU HD22 H 1 0.863 0.006 . 2 . . . A 37 LEU HD22 . 18169 2 453 . 3 2 37 37 LEU HD23 H 1 0.863 0.006 . 2 . . . A 37 LEU HD23 . 18169 2 454 . 3 2 37 37 LEU C C 13 179.457 0.004 . 1 . . . A 37 LEU C . 18169 2 455 . 3 2 37 37 LEU CA C 13 59.481 0.021 . 1 . . . A 37 LEU CA . 18169 2 456 . 3 2 37 37 LEU CB C 13 42.058 0.024 . 1 . . . A 37 LEU CB . 18169 2 457 . 3 2 37 37 LEU CG C 13 28.541 0.005 . 1 . . . A 37 LEU CG . 18169 2 458 . 3 2 37 37 LEU CD1 C 13 27.842 0.027 . 2 . . . A 37 LEU CD1 . 18169 2 459 . 3 2 37 37 LEU CD2 C 13 24.183 0.136 . 2 . . . A 37 LEU CD2 . 18169 2 460 . 3 2 37 37 LEU N N 15 121.009 0.065 . 1 . . . A 37 LEU N . 18169 2 461 . 3 2 38 38 LEU H H 1 8.520 0.006 . 1 . . . A 38 LEU H . 18169 2 462 . 3 2 38 38 LEU HA H 1 3.859 0.003 . 1 . . . A 38 LEU HA . 18169 2 463 . 3 2 38 38 LEU HB2 H 1 1.716 0.006 . 2 . . . A 38 LEU HB2 . 18169 2 464 . 3 2 38 38 LEU HB3 H 1 2.007 0.003 . 2 . . . A 38 LEU HB3 . 18169 2 465 . 3 2 38 38 LEU HG H 1 2.064 0.003 . 1 . . . A 38 LEU HG . 18169 2 466 . 3 2 38 38 LEU HD11 H 1 1.039 0.001 . 2 . . . A 38 LEU HD11 . 18169 2 467 . 3 2 38 38 LEU HD12 H 1 1.039 0.001 . 2 . . . A 38 LEU HD12 . 18169 2 468 . 3 2 38 38 LEU HD13 H 1 1.039 0.001 . 2 . . . A 38 LEU HD13 . 18169 2 469 . 3 2 38 38 LEU HD21 H 1 1.039 0.001 . 2 . . . A 38 LEU HD21 . 18169 2 470 . 3 2 38 38 LEU HD22 H 1 1.039 0.001 . 2 . . . A 38 LEU HD22 . 18169 2 471 . 3 2 38 38 LEU HD23 H 1 1.039 0.001 . 2 . . . A 38 LEU HD23 . 18169 2 472 . 3 2 38 38 LEU C C 13 178.277 0.004 . 1 . . . A 38 LEU C . 18169 2 473 . 3 2 38 38 LEU CA C 13 59.174 0.020 . 1 . . . A 38 LEU CA . 18169 2 474 . 3 2 38 38 LEU CB C 13 42.484 0.022 . 1 . . . A 38 LEU CB . 18169 2 475 . 3 2 38 38 LEU CG C 13 27.709 0.024 . 1 . . . A 38 LEU CG . 18169 2 476 . 3 2 38 38 LEU CD1 C 13 26.326 0.016 . 2 . . . A 38 LEU CD1 . 18169 2 477 . 3 2 38 38 LEU CD2 C 13 24.344 0.027 . 2 . . . A 38 LEU CD2 . 18169 2 478 . 3 2 38 38 LEU N N 15 117.910 0.019 . 1 . . . A 38 LEU N . 18169 2 479 . 3 2 39 39 THR H H 1 7.960 0.004 . 1 . . . A 39 THR H . 18169 2 480 . 3 2 39 39 THR HA H 1 3.977 0.001 . 1 . . . A 39 THR HA . 18169 2 481 . 3 2 39 39 THR HB H 1 4.233 0.003 . 1 . . . A 39 THR HB . 18169 2 482 . 3 2 39 39 THR HG21 H 1 1.358 0.008 . 1 . . . A 39 THR HG21 . 18169 2 483 . 3 2 39 39 THR HG22 H 1 1.358 0.008 . 1 . . . A 39 THR HG22 . 18169 2 484 . 3 2 39 39 THR HG23 H 1 1.358 0.008 . 1 . . . A 39 THR HG23 . 18169 2 485 . 3 2 39 39 THR C C 13 176.625 0.004 . 1 . . . A 39 THR C . 18169 2 486 . 3 2 39 39 THR CA C 13 65.708 0.014 . 1 . . . A 39 THR CA . 18169 2 487 . 3 2 39 39 THR CB C 13 69.846 0.044 . 1 . . . A 39 THR CB . 18169 2 488 . 3 2 39 39 THR CG2 C 13 21.774 0.030 . 1 . . . A 39 THR CG2 . 18169 2 489 . 3 2 39 39 THR N N 15 107.547 0.017 . 1 . . . A 39 THR N . 18169 2 490 . 3 2 40 40 ARG H H 1 8.221 0.003 . 1 . . . A 40 ARG H . 18169 2 491 . 3 2 40 40 ARG HA H 1 4.446 0.003 . 1 . . . A 40 ARG HA . 18169 2 492 . 3 2 40 40 ARG HB2 H 1 2.201 0.007 . 2 . . . A 40 ARG HB2 . 18169 2 493 . 3 2 40 40 ARG HB3 H 1 1.992 0.004 . 2 . . . A 40 ARG HB3 . 18169 2 494 . 3 2 40 40 ARG HG2 H 1 1.995 0.004 . 2 . . . A 40 ARG HG2 . 18169 2 495 . 3 2 40 40 ARG HG3 H 1 1.826 0.003 . 2 . . . A 40 ARG HG3 . 18169 2 496 . 3 2 40 40 ARG HD2 H 1 3.392 0.004 . 2 . . . A 40 ARG HD2 . 18169 2 497 . 3 2 40 40 ARG HD3 H 1 3.395 0.001 . 2 . . . A 40 ARG HD3 . 18169 2 498 . 3 2 40 40 ARG C C 13 178.762 0.004 . 1 . . . A 40 ARG C . 18169 2 499 . 3 2 40 40 ARG CA C 13 57.641 0.003 . 1 . . . A 40 ARG CA . 18169 2 500 . 3 2 40 40 ARG CB C 13 31.409 0.019 . 1 . . . A 40 ARG CB . 18169 2 501 . 3 2 40 40 ARG CG C 13 28.212 0.033 . 1 . . . A 40 ARG CG . 18169 2 502 . 3 2 40 40 ARG CD C 13 43.484 0.004 . 1 . . . A 40 ARG CD . 18169 2 503 . 3 2 40 40 ARG N N 15 116.326 0.015 . 1 . . . A 40 ARG N . 18169 2 504 . 3 2 41 41 GLU H H 1 8.515 0.005 . 1 . . . A 41 GLU H . 18169 2 505 . 3 2 41 41 GLU HA H 1 4.946 0.003 . 1 . . . A 41 GLU HA . 18169 2 506 . 3 2 41 41 GLU HB2 H 1 2.431 0.008 . 2 . . . A 41 GLU HB2 . 18169 2 507 . 3 2 41 41 GLU HB3 H 1 2.193 0.004 . 2 . . . A 41 GLU HB3 . 18169 2 508 . 3 2 41 41 GLU HG2 H 1 2.621 0.023 . 2 . . . A 41 GLU HG2 . 18169 2 509 . 3 2 41 41 GLU C C 13 177.490 0.004 . 1 . . . A 41 GLU C . 18169 2 510 . 3 2 41 41 GLU CA C 13 55.053 0.004 . 1 . . . A 41 GLU CA . 18169 2 511 . 3 2 41 41 GLU CB C 13 29.579 0.004 . 1 . . . A 41 GLU CB . 18169 2 512 . 3 2 41 41 GLU CG C 13 35.688 0.004 . 1 . . . A 41 GLU CG . 18169 2 513 . 3 2 41 41 GLU N N 15 113.122 0.019 . 1 . . . A 41 GLU N . 18169 2 514 . 3 2 42 42 LEU H H 1 7.603 0.005 . 1 . . . A 42 LEU H . 18169 2 515 . 3 2 42 42 LEU HA H 1 5.514 0.002 . 1 . . . A 42 LEU HA . 18169 2 516 . 3 2 42 42 LEU HB2 H 1 2.065 0.002 . 2 . . . A 42 LEU HB2 . 18169 2 517 . 3 2 42 42 LEU HB3 H 1 1.924 0.003 . 2 . . . A 42 LEU HB3 . 18169 2 518 . 3 2 42 42 LEU HG H 1 1.540 0.001 . 1 . . . A 42 LEU HG . 18169 2 519 . 3 2 42 42 LEU HD11 H 1 0.778 0.002 . 2 . . . A 42 LEU HD11 . 18169 2 520 . 3 2 42 42 LEU HD12 H 1 0.778 0.002 . 2 . . . A 42 LEU HD12 . 18169 2 521 . 3 2 42 42 LEU HD13 H 1 0.778 0.002 . 2 . . . A 42 LEU HD13 . 18169 2 522 . 3 2 42 42 LEU HD21 H 1 0.683 0.002 . 2 . . . A 42 LEU HD21 . 18169 2 523 . 3 2 42 42 LEU HD22 H 1 0.683 0.002 . 2 . . . A 42 LEU HD22 . 18169 2 524 . 3 2 42 42 LEU HD23 H 1 0.683 0.002 . 2 . . . A 42 LEU HD23 . 18169 2 525 . 3 2 42 42 LEU CA C 13 53.251 0.021 . 1 . . . A 42 LEU CA . 18169 2 526 . 3 2 42 42 LEU CB C 13 43.750 0.035 . 1 . . . A 42 LEU CB . 18169 2 527 . 3 2 42 42 LEU CG C 13 26.386 0.004 . 1 . . . A 42 LEU CG . 18169 2 528 . 3 2 42 42 LEU CD1 C 13 24.233 0.032 . 2 . . . A 42 LEU CD1 . 18169 2 529 . 3 2 42 42 LEU CD2 C 13 25.983 0.034 . 2 . . . A 42 LEU CD2 . 18169 2 530 . 3 2 42 42 LEU N N 15 118.897 0.033 . 1 . . . A 42 LEU N . 18169 2 531 . 3 2 43 43 PRO HA H 1 4.385 0.002 . 1 . . . A 43 PRO HA . 18169 2 532 . 3 2 43 43 PRO HB2 H 1 2.452 0.009 . 2 . . . A 43 PRO HB2 . 18169 2 533 . 3 2 43 43 PRO HB3 H 1 2.022 0.004 . 2 . . . A 43 PRO HB3 . 18169 2 534 . 3 2 43 43 PRO HG2 H 1 2.143 0.004 . 2 . . . A 43 PRO HG2 . 18169 2 535 . 3 2 43 43 PRO HG3 H 1 2.066 0.004 . 2 . . . A 43 PRO HG3 . 18169 2 536 . 3 2 43 43 PRO HD2 H 1 3.737 0.008 . 2 . . . A 43 PRO HD2 . 18169 2 537 . 3 2 43 43 PRO HD3 H 1 3.218 0.003 . 2 . . . A 43 PRO HD3 . 18169 2 538 . 3 2 43 43 PRO C C 13 180.650 0.004 . 1 . . . A 43 PRO C . 18169 2 539 . 3 2 43 43 PRO CA C 13 66.255 0.019 . 1 . . . A 43 PRO CA . 18169 2 540 . 3 2 43 43 PRO CB C 13 31.053 0.004 . 1 . . . A 43 PRO CB . 18169 2 541 . 3 2 43 43 PRO CG C 13 28.469 0.004 . 1 . . . A 43 PRO CG . 18169 2 542 . 3 2 43 43 PRO CD C 13 51.561 0.028 . 1 . . . A 43 PRO CD . 18169 2 543 . 3 2 44 44 SER H H 1 9.966 0.004 . 1 . . . A 44 SER H . 18169 2 544 . 3 2 44 44 SER HA H 1 4.289 0.002 . 1 . . . A 44 SER HA . 18169 2 545 . 3 2 44 44 SER HB2 H 1 3.673 0.002 . 2 . . . A 44 SER HB2 . 18169 2 546 . 3 2 44 44 SER HB3 H 1 3.673 0.002 . 2 . . . A 44 SER HB3 . 18169 2 547 . 3 2 44 44 SER C C 13 174.751 0.004 . 1 . . . A 44 SER C . 18169 2 548 . 3 2 44 44 SER CA C 13 61.063 0.010 . 1 . . . A 44 SER CA . 18169 2 549 . 3 2 44 44 SER CB C 13 61.991 0.023 . 1 . . . A 44 SER CB . 18169 2 550 . 3 2 44 44 SER N N 15 116.771 0.034 . 1 . . . A 44 SER N . 18169 2 551 . 3 2 45 45 PHE H H 1 8.047 0.002 . 1 . . . A 45 PHE H . 18169 2 552 . 3 2 45 45 PHE HA H 1 4.834 0.001 . 1 . . . A 45 PHE HA . 18169 2 553 . 3 2 45 45 PHE HB2 H 1 3.411 0.003 . 2 . . . A 45 PHE HB2 . 18169 2 554 . 3 2 45 45 PHE HB3 H 1 3.109 0.003 . 2 . . . A 45 PHE HB3 . 18169 2 555 . 3 2 45 45 PHE HD1 H 1 7.316 0.002 . 3 . . . A 45 PHE HD1 . 18169 2 556 . 3 2 45 45 PHE HD2 H 1 7.316 0.002 . 3 . . . A 45 PHE HD2 . 18169 2 557 . 3 2 45 45 PHE HE1 H 1 7.140 0.003 . 3 . . . A 45 PHE HE1 . 18169 2 558 . 3 2 45 45 PHE HE2 H 1 7.140 0.003 . 3 . . . A 45 PHE HE2 . 18169 2 559 . 3 2 45 45 PHE HZ H 1 7.200 0.004 . 1 . . . A 45 PHE HZ . 18169 2 560 . 3 2 45 45 PHE C C 13 175.341 0.004 . 1 . . . A 45 PHE C . 18169 2 561 . 3 2 45 45 PHE CA C 13 58.086 0.012 . 1 . . . A 45 PHE CA . 18169 2 562 . 3 2 45 45 PHE CB C 13 39.642 0.025 . 1 . . . A 45 PHE CB . 18169 2 563 . 3 2 45 45 PHE CD1 C 13 132.301 0.087 . 3 . . . A 45 PHE CD1 . 18169 2 564 . 3 2 45 45 PHE CD2 C 13 132.301 0.087 . 3 . . . A 45 PHE CD2 . 18169 2 565 . 3 2 45 45 PHE CE1 C 13 130.784 0.057 . 3 . . . A 45 PHE CE1 . 18169 2 566 . 3 2 45 45 PHE CE2 C 13 130.784 0.057 . 3 . . . A 45 PHE CE2 . 18169 2 567 . 3 2 45 45 PHE CZ C 13 129.659 0.004 . 1 . . . A 45 PHE CZ . 18169 2 568 . 3 2 45 45 PHE N N 15 117.442 0.025 . 1 . . . A 45 PHE N . 18169 2 569 . 3 2 46 46 LEU H H 1 7.324 0.003 . 1 . . . A 46 LEU H . 18169 2 570 . 3 2 46 46 LEU HA H 1 4.746 0.003 . 1 . . . A 46 LEU HA . 18169 2 571 . 3 2 46 46 LEU HB2 H 1 1.839 0.003 . 2 . . . A 46 LEU HB2 . 18169 2 572 . 3 2 46 46 LEU HB3 H 1 1.715 0.001 . 2 . . . A 46 LEU HB3 . 18169 2 573 . 3 2 46 46 LEU HG H 1 1.988 0.002 . 1 . . . A 46 LEU HG . 18169 2 574 . 3 2 46 46 LEU HD11 H 1 1.066 0.002 . 2 . . . A 46 LEU HD11 . 18169 2 575 . 3 2 46 46 LEU HD12 H 1 1.066 0.002 . 2 . . . A 46 LEU HD12 . 18169 2 576 . 3 2 46 46 LEU HD13 H 1 1.066 0.002 . 2 . . . A 46 LEU HD13 . 18169 2 577 . 3 2 46 46 LEU HD21 H 1 0.960 0.001 . 2 . . . A 46 LEU HD21 . 18169 2 578 . 3 2 46 46 LEU HD22 H 1 0.960 0.001 . 2 . . . A 46 LEU HD22 . 18169 2 579 . 3 2 46 46 LEU HD23 H 1 0.960 0.001 . 2 . . . A 46 LEU HD23 . 18169 2 580 . 3 2 46 46 LEU C C 13 177.740 0.004 . 1 . . . A 46 LEU C . 18169 2 581 . 3 2 46 46 LEU CA C 13 54.654 0.004 . 1 . . . A 46 LEU CA . 18169 2 582 . 3 2 46 46 LEU CB C 13 42.901 0.024 . 1 . . . A 46 LEU CB . 18169 2 583 . 3 2 46 46 LEU CG C 13 26.918 0.034 . 1 . . . A 46 LEU CG . 18169 2 584 . 3 2 46 46 LEU CD1 C 13 25.762 0.018 . 2 . . . A 46 LEU CD1 . 18169 2 585 . 3 2 46 46 LEU CD2 C 13 23.949 0.047 . 2 . . . A 46 LEU CD2 . 18169 2 586 . 3 2 46 46 LEU N N 15 119.411 0.015 . 1 . . . A 46 LEU N . 18169 2 587 . 3 2 47 47 GLY H H 1 8.253 0.003 . 1 . . . A 47 GLY H . 18169 2 588 . 3 2 47 47 GLY HA2 H 1 4.167 0.006 . 2 . . . A 47 GLY HA2 . 18169 2 589 . 3 2 47 47 GLY HA3 H 1 3.745 0.003 . 2 . . . A 47 GLY HA3 . 18169 2 590 . 3 2 47 47 GLY C C 13 174.056 0.004 . 1 . . . A 47 GLY C . 18169 2 591 . 3 2 47 47 GLY CA C 13 44.916 0.015 . 1 . . . A 47 GLY CA . 18169 2 592 . 3 2 47 47 GLY N N 15 109.439 0.022 . 1 . . . A 47 GLY N . 18169 2 593 . 3 2 48 48 LYS H H 1 8.289 0.004 . 1 . . . A 48 LYS H . 18169 2 594 . 3 2 48 48 LYS HA H 1 4.289 0.002 . 1 . . . A 48 LYS HA . 18169 2 595 . 3 2 48 48 LYS HB2 H 1 1.937 0.004 . 2 . . . A 48 LYS HB2 . 18169 2 596 . 3 2 48 48 LYS HB3 H 1 1.811 0.002 . 2 . . . A 48 LYS HB3 . 18169 2 597 . 3 2 48 48 LYS HG2 H 1 1.516 0.004 . 2 . . . A 48 LYS HG2 . 18169 2 598 . 3 2 48 48 LYS HG3 H 1 1.515 0.001 . 2 . . . A 48 LYS HG3 . 18169 2 599 . 3 2 48 48 LYS HD2 H 1 1.742 0.001 . 2 . . . A 48 LYS HD2 . 18169 2 600 . 3 2 48 48 LYS HD3 H 1 1.742 0.001 . 2 . . . A 48 LYS HD3 . 18169 2 601 . 3 2 48 48 LYS HE2 H 1 3.060 0.004 . 2 . . . A 48 LYS HE2 . 18169 2 602 . 3 2 48 48 LYS HE3 H 1 3.060 0.004 . 2 . . . A 48 LYS HE3 . 18169 2 603 . 3 2 48 48 LYS C C 13 177.281 0.004 . 1 . . . A 48 LYS C . 18169 2 604 . 3 2 48 48 LYS CA C 13 57.229 0.018 . 1 . . . A 48 LYS CA . 18169 2 605 . 3 2 48 48 LYS CB C 13 33.063 0.031 . 1 . . . A 48 LYS CB . 18169 2 606 . 3 2 48 48 LYS CG C 13 24.920 0.004 . 1 . . . A 48 LYS CG . 18169 2 607 . 3 2 48 48 LYS CD C 13 29.173 0.004 . 1 . . . A 48 LYS CD . 18169 2 608 . 3 2 48 48 LYS CE C 13 42.452 0.004 . 1 . . . A 48 LYS CE . 18169 2 609 . 3 2 48 48 LYS N N 15 119.298 0.020 . 1 . . . A 48 LYS N . 18169 2 610 . 3 2 49 49 ARG H H 1 8.217 0.003 . 1 . . . A 49 ARG H . 18169 2 611 . 3 2 49 49 ARG HA H 1 4.518 0.001 . 1 . . . A 49 ARG HA . 18169 2 612 . 3 2 49 49 ARG HB2 H 1 1.886 0.002 . 2 . . . A 49 ARG HB2 . 18169 2 613 . 3 2 49 49 ARG HB3 H 1 1.757 0.003 . 2 . . . A 49 ARG HB3 . 18169 2 614 . 3 2 49 49 ARG HG2 H 1 1.585 0.003 . 2 . . . A 49 ARG HG2 . 18169 2 615 . 3 2 49 49 ARG HG3 H 1 1.655 0.004 . 2 . . . A 49 ARG HG3 . 18169 2 616 . 3 2 49 49 ARG HD2 H 1 3.237 0.002 . 2 . . . A 49 ARG HD2 . 18169 2 617 . 3 2 49 49 ARG HD3 H 1 3.237 0.002 . 2 . . . A 49 ARG HD3 . 18169 2 618 . 3 2 49 49 ARG C C 13 175.524 0.004 . 1 . . . A 49 ARG C . 18169 2 619 . 3 2 49 49 ARG CA C 13 55.592 0.023 . 1 . . . A 49 ARG CA . 18169 2 620 . 3 2 49 49 ARG CB C 13 29.775 0.025 . 1 . . . A 49 ARG CB . 18169 2 621 . 3 2 49 49 ARG CG C 13 27.165 0.028 . 1 . . . A 49 ARG CG . 18169 2 622 . 3 2 49 49 ARG CD C 13 43.346 0.058 . 1 . . . A 49 ARG CD . 18169 2 623 . 3 2 49 49 ARG N N 15 119.538 0.011 . 1 . . . A 49 ARG N . 18169 2 624 . 3 2 50 50 THR H H 1 7.995 0.003 . 1 . . . A 50 THR H . 18169 2 625 . 3 2 50 50 THR HA H 1 4.230 0.002 . 1 . . . A 50 THR HA . 18169 2 626 . 3 2 50 50 THR HB H 1 4.352 0.001 . 1 . . . A 50 THR HB . 18169 2 627 . 3 2 50 50 THR HG21 H 1 1.029 0.001 . 1 . . . A 50 THR HG21 . 18169 2 628 . 3 2 50 50 THR HG22 H 1 1.029 0.001 . 1 . . . A 50 THR HG22 . 18169 2 629 . 3 2 50 50 THR HG23 H 1 1.029 0.001 . 1 . . . A 50 THR HG23 . 18169 2 630 . 3 2 50 50 THR C C 13 173.715 0.004 . 1 . . . A 50 THR C . 18169 2 631 . 3 2 50 50 THR CA C 13 61.709 0.012 . 1 . . . A 50 THR CA . 18169 2 632 . 3 2 50 50 THR CB C 13 69.215 0.007 . 1 . . . A 50 THR CB . 18169 2 633 . 3 2 50 50 THR CG2 C 13 21.962 0.010 . 1 . . . A 50 THR CG2 . 18169 2 634 . 3 2 50 50 THR N N 15 114.541 0.019 . 1 . . . A 50 THR N . 18169 2 635 . 3 2 51 51 ASP H H 1 7.967 0.002 . 1 . . . A 51 ASP H . 18169 2 636 . 3 2 51 51 ASP HA H 1 4.777 0.007 . 1 . . . A 51 ASP HA . 18169 2 637 . 3 2 51 51 ASP HB2 H 1 3.050 0.005 . 2 . . . A 51 ASP HB2 . 18169 2 638 . 3 2 51 51 ASP HB3 H 1 2.861 0.004 . 2 . . . A 51 ASP HB3 . 18169 2 639 . 3 2 51 51 ASP C C 13 175.944 0.004 . 1 . . . A 51 ASP C . 18169 2 640 . 3 2 51 51 ASP CA C 13 52.990 0.004 . 1 . . . A 51 ASP CA . 18169 2 641 . 3 2 51 51 ASP CB C 13 42.114 0.034 . 1 . . . A 51 ASP CB . 18169 2 642 . 3 2 51 51 ASP N N 15 122.855 0.016 . 1 . . . A 51 ASP N . 18169 2 643 . 3 2 52 52 GLU H H 1 8.633 0.001 . 1 . . . A 52 GLU H . 18169 2 644 . 3 2 52 52 GLU HA H 1 4.278 0.002 . 1 . . . A 52 GLU HA . 18169 2 645 . 3 2 52 52 GLU HB2 H 1 2.173 0.008 . 2 . . . A 52 GLU HB2 . 18169 2 646 . 3 2 52 52 GLU HB3 H 1 2.144 0.012 . 2 . . . A 52 GLU HB3 . 18169 2 647 . 3 2 52 52 GLU HG2 H 1 2.456 0.002 . 2 . . . A 52 GLU HG2 . 18169 2 648 . 3 2 52 52 GLU HG3 H 1 2.456 0.002 . 2 . . . A 52 GLU HG3 . 18169 2 649 . 3 2 52 52 GLU C C 13 179.273 0.004 . 1 . . . A 52 GLU C . 18169 2 650 . 3 2 52 52 GLU CA C 13 59.785 0.018 . 1 . . . A 52 GLU CA . 18169 2 651 . 3 2 52 52 GLU CB C 13 29.515 0.025 . 1 . . . A 52 GLU CB . 18169 2 652 . 3 2 52 52 GLU CG C 13 35.983 0.017 . 1 . . . A 52 GLU CG . 18169 2 653 . 3 2 52 52 GLU N N 15 120.774 0.015 . 1 . . . A 52 GLU N . 18169 2 654 . 3 2 53 53 ALA H H 1 8.345 0.003 . 1 . . . A 53 ALA H . 18169 2 655 . 3 2 53 53 ALA HA H 1 4.238 0.004 . 1 . . . A 53 ALA HA . 18169 2 656 . 3 2 53 53 ALA HB1 H 1 1.531 0.003 . 1 . . . A 53 ALA HB1 . 18169 2 657 . 3 2 53 53 ALA HB2 H 1 1.531 0.003 . 1 . . . A 53 ALA HB2 . 18169 2 658 . 3 2 53 53 ALA HB3 H 1 1.531 0.003 . 1 . . . A 53 ALA HB3 . 18169 2 659 . 3 2 53 53 ALA C C 13 180.493 0.004 . 1 . . . A 53 ALA C . 18169 2 660 . 3 2 53 53 ALA CA C 13 55.136 0.026 . 1 . . . A 53 ALA CA . 18169 2 661 . 3 2 53 53 ALA CB C 13 17.958 0.033 . 1 . . . A 53 ALA CB . 18169 2 662 . 3 2 53 53 ALA N N 15 121.888 0.027 . 1 . . . A 53 ALA N . 18169 2 663 . 3 2 54 54 ALA H H 1 7.999 0.002 . 1 . . . A 54 ALA H . 18169 2 664 . 3 2 54 54 ALA HA H 1 4.127 0.001 . 1 . . . A 54 ALA HA . 18169 2 665 . 3 2 54 54 ALA HB1 H 1 1.323 0.001 . 1 . . . A 54 ALA HB1 . 18169 2 666 . 3 2 54 54 ALA HB2 H 1 1.323 0.001 . 1 . . . A 54 ALA HB2 . 18169 2 667 . 3 2 54 54 ALA HB3 H 1 1.323 0.001 . 1 . . . A 54 ALA HB3 . 18169 2 668 . 3 2 54 54 ALA C C 13 180.663 0.004 . 1 . . . A 54 ALA C . 18169 2 669 . 3 2 54 54 ALA CA C 13 55.049 0.003 . 1 . . . A 54 ALA CA . 18169 2 670 . 3 2 54 54 ALA CB C 13 18.440 0.026 . 1 . . . A 54 ALA CB . 18169 2 671 . 3 2 54 54 ALA N N 15 122.037 0.016 . 1 . . . A 54 ALA N . 18169 2 672 . 3 2 55 55 PHE H H 1 7.984 0.004 . 1 . . . A 55 PHE H . 18169 2 673 . 3 2 55 55 PHE HA H 1 4.079 0.003 . 1 . . . A 55 PHE HA . 18169 2 674 . 3 2 55 55 PHE HB2 H 1 3.081 0.003 . 2 . . . A 55 PHE HB2 . 18169 2 675 . 3 2 55 55 PHE HB3 H 1 3.081 0.002 . 2 . . . A 55 PHE HB3 . 18169 2 676 . 3 2 55 55 PHE HD1 H 1 7.176 0.004 . 3 . . . A 55 PHE HD1 . 18169 2 677 . 3 2 55 55 PHE HD2 H 1 7.176 0.004 . 3 . . . A 55 PHE HD2 . 18169 2 678 . 3 2 55 55 PHE HE1 H 1 7.259 0.013 . 3 . . . A 55 PHE HE1 . 18169 2 679 . 3 2 55 55 PHE HE2 H 1 7.259 0.013 . 3 . . . A 55 PHE HE2 . 18169 2 680 . 3 2 55 55 PHE C C 13 177.818 0.004 . 1 . . . A 55 PHE C . 18169 2 681 . 3 2 55 55 PHE CA C 13 62.864 0.019 . 1 . . . A 55 PHE CA . 18169 2 682 . 3 2 55 55 PHE CB C 13 38.859 0.007 . 1 . . . A 55 PHE CB . 18169 2 683 . 3 2 55 55 PHE CD1 C 13 131.489 0.058 . 3 . . . A 55 PHE CD1 . 18169 2 684 . 3 2 55 55 PHE CD2 C 13 131.489 0.058 . 3 . . . A 55 PHE CD2 . 18169 2 685 . 3 2 55 55 PHE CE1 C 13 131.157 0.004 . 3 . . . A 55 PHE CE1 . 18169 2 686 . 3 2 55 55 PHE CE2 C 13 131.157 0.004 . 3 . . . A 55 PHE CE2 . 18169 2 687 . 3 2 55 55 PHE N N 15 116.864 0.007 . 1 . . . A 55 PHE N . 18169 2 688 . 3 2 56 56 GLN H H 1 8.371 0.005 . 1 . . . A 56 GLN H . 18169 2 689 . 3 2 56 56 GLN HA H 1 4.026 0.002 . 1 . . . A 56 GLN HA . 18169 2 690 . 3 2 56 56 GLN HB2 H 1 2.274 0.001 . 2 . . . A 56 GLN HB2 . 18169 2 691 . 3 2 56 56 GLN HB3 H 1 2.274 0.001 . 2 . . . A 56 GLN HB3 . 18169 2 692 . 3 2 56 56 GLN HG2 H 1 2.514 0.001 . 2 . . . A 56 GLN HG2 . 18169 2 693 . 3 2 56 56 GLN HG3 H 1 2.514 0.001 . 2 . . . A 56 GLN HG3 . 18169 2 694 . 3 2 56 56 GLN HE21 H 1 7.510 0.003 . 2 . . . A 56 GLN HE21 . 18169 2 695 . 3 2 56 56 GLN HE22 H 1 6.933 0.001 . 2 . . . A 56 GLN HE22 . 18169 2 696 . 3 2 56 56 GLN C C 13 178.500 0.004 . 1 . . . A 56 GLN C . 18169 2 697 . 3 2 56 56 GLN CA C 13 59.074 0.040 . 1 . . . A 56 GLN CA . 18169 2 698 . 3 2 56 56 GLN CB C 13 28.037 0.022 . 1 . . . A 56 GLN CB . 18169 2 699 . 3 2 56 56 GLN CG C 13 33.754 0.019 . 1 . . . A 56 GLN CG . 18169 2 700 . 3 2 56 56 GLN N N 15 120.615 0.028 . 1 . . . A 56 GLN N . 18169 2 701 . 3 2 56 56 GLN NE2 N 15 112.167 0.001 . 1 . . . A 56 GLN NE2 . 18169 2 702 . 3 2 57 57 LYS H H 1 7.980 0.004 . 1 . . . A 57 LYS H . 18169 2 703 . 3 2 57 57 LYS HA H 1 4.090 0.002 . 1 . . . A 57 LYS HA . 18169 2 704 . 3 2 57 57 LYS HB2 H 1 1.941 0.011 . 2 . . . A 57 LYS HB2 . 18169 2 705 . 3 2 57 57 LYS HB3 H 1 1.913 0.012 . 2 . . . A 57 LYS HB3 . 18169 2 706 . 3 2 57 57 LYS HG2 H 1 1.603 0.001 . 2 . . . A 57 LYS HG2 . 18169 2 707 . 3 2 57 57 LYS HG3 H 1 1.485 0.004 . 2 . . . A 57 LYS HG3 . 18169 2 708 . 3 2 57 57 LYS HD2 H 1 1.709 0.001 . 2 . . . A 57 LYS HD2 . 18169 2 709 . 3 2 57 57 LYS HD3 H 1 1.765 0.004 . 2 . . . A 57 LYS HD3 . 18169 2 710 . 3 2 57 57 LYS HE2 H 1 3.016 0.004 . 2 . . . A 57 LYS HE2 . 18169 2 711 . 3 2 57 57 LYS HE3 H 1 3.020 0.004 . 2 . . . A 57 LYS HE3 . 18169 2 712 . 3 2 57 57 LYS C C 13 179.352 0.004 . 1 . . . A 57 LYS C . 18169 2 713 . 3 2 57 57 LYS CA C 13 59.270 0.004 . 1 . . . A 57 LYS CA . 18169 2 714 . 3 2 57 57 LYS CB C 13 32.202 0.010 . 1 . . . A 57 LYS CB . 18169 2 715 . 3 2 57 57 LYS CG C 13 25.329 0.004 . 1 . . . A 57 LYS CG . 18169 2 716 . 3 2 57 57 LYS CD C 13 29.338 0.004 . 1 . . . A 57 LYS CD . 18169 2 717 . 3 2 57 57 LYS CE C 13 42.248 0.004 . 1 . . . A 57 LYS CE . 18169 2 718 . 3 2 57 57 LYS N N 15 120.461 0.023 . 1 . . . A 57 LYS N . 18169 2 719 . 3 2 58 58 LEU H H 1 7.999 0.003 . 1 . . . A 58 LEU H . 18169 2 720 . 3 2 58 58 LEU HA H 1 4.026 0.003 . 1 . . . A 58 LEU HA . 18169 2 721 . 3 2 58 58 LEU HB2 H 1 1.506 0.002 . 2 . . . A 58 LEU HB2 . 18169 2 722 . 3 2 58 58 LEU HB3 H 1 1.924 0.003 . 2 . . . A 58 LEU HB3 . 18169 2 723 . 3 2 58 58 LEU HG H 1 1.420 0.002 . 1 . . . A 58 LEU HG . 18169 2 724 . 3 2 58 58 LEU HD11 H 1 0.900 0.002 . 2 . . . A 58 LEU HD11 . 18169 2 725 . 3 2 58 58 LEU HD12 H 1 0.900 0.002 . 2 . . . A 58 LEU HD12 . 18169 2 726 . 3 2 58 58 LEU HD13 H 1 0.900 0.002 . 2 . . . A 58 LEU HD13 . 18169 2 727 . 3 2 58 58 LEU HD21 H 1 0.830 0.003 . 2 . . . A 58 LEU HD21 . 18169 2 728 . 3 2 58 58 LEU HD22 H 1 0.830 0.003 . 2 . . . A 58 LEU HD22 . 18169 2 729 . 3 2 58 58 LEU HD23 H 1 0.830 0.003 . 2 . . . A 58 LEU HD23 . 18169 2 730 . 3 2 58 58 LEU C C 13 178.211 0.004 . 1 . . . A 58 LEU C . 18169 2 731 . 3 2 58 58 LEU CA C 13 58.602 0.019 . 1 . . . A 58 LEU CA . 18169 2 732 . 3 2 58 58 LEU CB C 13 41.599 0.015 . 1 . . . A 58 LEU CB . 18169 2 733 . 3 2 58 58 LEU CG C 13 27.074 0.004 . 1 . . . A 58 LEU CG . 18169 2 734 . 3 2 58 58 LEU CD1 C 13 24.048 0.025 . 2 . . . A 58 LEU CD1 . 18169 2 735 . 3 2 58 58 LEU CD2 C 13 26.724 0.051 . 2 . . . A 58 LEU CD2 . 18169 2 736 . 3 2 58 58 LEU N N 15 119.983 0.021 . 1 . . . A 58 LEU N . 18169 2 737 . 3 2 59 59 MET H H 1 8.264 0.001 . 1 . . . A 59 MET H . 18169 2 738 . 3 2 59 59 MET HA H 1 3.925 0.003 . 1 . . . A 59 MET HA . 18169 2 739 . 3 2 59 59 MET HB2 H 1 2.258 0.002 . 2 . . . A 59 MET HB2 . 18169 2 740 . 3 2 59 59 MET HB3 H 1 1.904 0.003 . 2 . . . A 59 MET HB3 . 18169 2 741 . 3 2 59 59 MET HG2 H 1 2.602 0.002 . 2 . . . A 59 MET HG2 . 18169 2 742 . 3 2 59 59 MET HG3 H 1 2.450 0.004 . 2 . . . A 59 MET HG3 . 18169 2 743 . 3 2 59 59 MET HE1 H 1 1.971 0.002 . 1 . . . A 59 MET HE1 . 18169 2 744 . 3 2 59 59 MET HE2 H 1 1.971 0.002 . 1 . . . A 59 MET HE2 . 18169 2 745 . 3 2 59 59 MET HE3 H 1 1.971 0.002 . 1 . . . A 59 MET HE3 . 18169 2 746 . 3 2 59 59 MET C C 13 177.228 0.004 . 1 . . . A 59 MET C . 18169 2 747 . 3 2 59 59 MET CA C 13 58.748 0.014 . 1 . . . A 59 MET CA . 18169 2 748 . 3 2 59 59 MET CB C 13 30.969 0.019 . 1 . . . A 59 MET CB . 18169 2 749 . 3 2 59 59 MET CG C 13 32.560 0.021 . 1 . . . A 59 MET CG . 18169 2 750 . 3 2 59 59 MET CE C 13 17.734 0.016 . 1 . . . A 59 MET CE . 18169 2 751 . 3 2 59 59 MET N N 15 118.514 0.021 . 1 . . . A 59 MET N . 18169 2 752 . 3 2 60 60 SER H H 1 8.051 0.002 . 1 . . . A 60 SER H . 18169 2 753 . 3 2 60 60 SER HA H 1 4.310 0.003 . 1 . . . A 60 SER HA . 18169 2 754 . 3 2 60 60 SER HB2 H 1 4.032 0.001 . 2 . . . A 60 SER HB2 . 18169 2 755 . 3 2 60 60 SER HB3 H 1 4.032 0.001 . 2 . . . A 60 SER HB3 . 18169 2 756 . 3 2 60 60 SER C C 13 176.455 0.004 . 1 . . . A 60 SER C . 18169 2 757 . 3 2 60 60 SER CA C 13 61.601 0.013 . 1 . . . A 60 SER CA . 18169 2 758 . 3 2 60 60 SER CB C 13 63.140 0.015 . 1 . . . A 60 SER CB . 18169 2 759 . 3 2 60 60 SER N N 15 111.599 0.015 . 1 . . . A 60 SER N . 18169 2 760 . 3 2 61 61 ASN H H 1 7.718 0.002 . 1 . . . A 61 ASN H . 18169 2 761 . 3 2 61 61 ASN HA H 1 4.556 0.002 . 1 . . . A 61 ASN HA . 18169 2 762 . 3 2 61 61 ASN HB2 H 1 2.866 0.003 . 2 . . . A 61 ASN HB2 . 18169 2 763 . 3 2 61 61 ASN HB3 H 1 2.329 0.005 . 2 . . . A 61 ASN HB3 . 18169 2 764 . 3 2 61 61 ASN HD21 H 1 7.119 0.001 . 2 . . . A 61 ASN HD21 . 18169 2 765 . 3 2 61 61 ASN HD22 H 1 6.905 0.014 . 2 . . . A 61 ASN HD22 . 18169 2 766 . 3 2 61 61 ASN C C 13 175.288 0.004 . 1 . . . A 61 ASN C . 18169 2 767 . 3 2 61 61 ASN CA C 13 55.753 0.030 . 1 . . . A 61 ASN CA . 18169 2 768 . 3 2 61 61 ASN CB C 13 39.617 0.022 . 1 . . . A 61 ASN CB . 18169 2 769 . 3 2 61 61 ASN N N 15 117.403 0.016 . 1 . . . A 61 ASN N . 18169 2 770 . 3 2 61 61 ASN ND2 N 15 110.714 0.001 . 1 . . . A 61 ASN ND2 . 18169 2 771 . 3 2 62 62 LEU H H 1 7.999 0.002 . 1 . . . A 62 LEU H . 18169 2 772 . 3 2 62 62 LEU HA H 1 4.268 0.002 . 1 . . . A 62 LEU HA . 18169 2 773 . 3 2 62 62 LEU HB2 H 1 1.676 0.002 . 2 . . . A 62 LEU HB2 . 18169 2 774 . 3 2 62 62 LEU HB3 H 1 1.377 0.004 . 2 . . . A 62 LEU HB3 . 18169 2 775 . 3 2 62 62 LEU HG H 1 1.811 0.003 . 1 . . . A 62 LEU HG . 18169 2 776 . 3 2 62 62 LEU HD11 H 1 0.556 0.001 . 2 . . . A 62 LEU HD11 . 18169 2 777 . 3 2 62 62 LEU HD12 H 1 0.556 0.001 . 2 . . . A 62 LEU HD12 . 18169 2 778 . 3 2 62 62 LEU HD13 H 1 0.556 0.001 . 2 . . . A 62 LEU HD13 . 18169 2 779 . 3 2 62 62 LEU HD21 H 1 0.414 0.002 . 2 . . . A 62 LEU HD21 . 18169 2 780 . 3 2 62 62 LEU HD22 H 1 0.414 0.002 . 2 . . . A 62 LEU HD22 . 18169 2 781 . 3 2 62 62 LEU HD23 H 1 0.414 0.002 . 2 . . . A 62 LEU HD23 . 18169 2 782 . 3 2 62 62 LEU C C 13 178.185 0.004 . 1 . . . A 62 LEU C . 18169 2 783 . 3 2 62 62 LEU CA C 13 56.352 0.014 . 1 . . . A 62 LEU CA . 18169 2 784 . 3 2 62 62 LEU CB C 13 43.240 0.016 . 1 . . . A 62 LEU CB . 18169 2 785 . 3 2 62 62 LEU CG C 13 27.287 0.016 . 1 . . . A 62 LEU CG . 18169 2 786 . 3 2 62 62 LEU CD1 C 13 23.752 0.018 . 2 . . . A 62 LEU CD1 . 18169 2 787 . 3 2 62 62 LEU CD2 C 13 24.466 0.018 . 2 . . . A 62 LEU CD2 . 18169 2 788 . 3 2 62 62 LEU N N 15 117.339 0.019 . 1 . . . A 62 LEU N . 18169 2 789 . 3 2 63 63 ASP H H 1 7.765 0.006 . 1 . . . A 63 ASP H . 18169 2 790 . 3 2 63 63 ASP HA H 1 4.787 0.004 . 1 . . . A 63 ASP HA . 18169 2 791 . 3 2 63 63 ASP HB2 H 1 2.914 0.001 . 2 . . . A 63 ASP HB2 . 18169 2 792 . 3 2 63 63 ASP HB3 H 1 2.416 0.007 . 2 . . . A 63 ASP HB3 . 18169 2 793 . 3 2 63 63 ASP C C 13 176.887 0.004 . 1 . . . A 63 ASP C . 18169 2 794 . 3 2 63 63 ASP CA C 13 52.972 0.004 . 1 . . . A 63 ASP CA . 18169 2 795 . 3 2 63 63 ASP CB C 13 39.890 0.010 . 1 . . . A 63 ASP CB . 18169 2 796 . 3 2 63 63 ASP N N 15 116.500 0.031 . 1 . . . A 63 ASP N . 18169 2 797 . 3 2 64 64 SER H H 1 8.305 0.003 . 1 . . . A 64 SER H . 18169 2 798 . 3 2 64 64 SER HA H 1 4.323 0.001 . 1 . . . A 64 SER HA . 18169 2 799 . 3 2 64 64 SER HB2 H 1 4.124 0.003 . 2 . . . A 64 SER HB2 . 18169 2 800 . 3 2 64 64 SER HB3 H 1 4.025 0.003 . 2 . . . A 64 SER HB3 . 18169 2 801 . 3 2 64 64 SER C C 13 176.258 0.004 . 1 . . . A 64 SER C . 18169 2 802 . 3 2 64 64 SER CA C 13 60.472 0.014 . 1 . . . A 64 SER CA . 18169 2 803 . 3 2 64 64 SER CB C 13 63.467 0.007 . 1 . . . A 64 SER CB . 18169 2 804 . 3 2 64 64 SER N N 15 122.727 0.012 . 1 . . . A 64 SER N . 18169 2 805 . 3 2 65 65 ASN H H 1 8.178 0.002 . 1 . . . A 65 ASN H . 18169 2 806 . 3 2 65 65 ASN HA H 1 4.877 0.002 . 1 . . . A 65 ASN HA . 18169 2 807 . 3 2 65 65 ASN HB2 H 1 3.322 0.003 . 2 . . . A 65 ASN HB2 . 18169 2 808 . 3 2 65 65 ASN HB3 H 1 2.899 0.005 . 2 . . . A 65 ASN HB3 . 18169 2 809 . 3 2 65 65 ASN HD21 H 1 7.833 0.004 . 2 . . . A 65 ASN HD21 . 18169 2 810 . 3 2 65 65 ASN HD22 H 1 6.625 0.005 . 2 . . . A 65 ASN HD22 . 18169 2 811 . 3 2 65 65 ASN C C 13 174.947 0.004 . 1 . . . A 65 ASN C . 18169 2 812 . 3 2 65 65 ASN CA C 13 52.118 0.048 . 1 . . . A 65 ASN CA . 18169 2 813 . 3 2 65 65 ASN CB C 13 37.282 0.044 . 1 . . . A 65 ASN CB . 18169 2 814 . 3 2 65 65 ASN N N 15 116.665 0.025 . 1 . . . A 65 ASN N . 18169 2 815 . 3 2 65 65 ASN ND2 N 15 112.829 0.001 . 1 . . . A 65 ASN ND2 . 18169 2 816 . 3 2 66 66 ARG H H 1 7.689 0.002 . 1 . . . A 66 ARG H . 18169 2 817 . 3 2 66 66 ARG HA H 1 4.154 0.003 . 1 . . . A 66 ARG HA . 18169 2 818 . 3 2 66 66 ARG HB2 H 1 2.049 0.002 . 2 . . . A 66 ARG HB2 . 18169 2 819 . 3 2 66 66 ARG HB3 H 1 2.049 0.002 . 2 . . . A 66 ARG HB3 . 18169 2 820 . 3 2 66 66 ARG HG2 H 1 1.634 0.005 . 2 . . . A 66 ARG HG2 . 18169 2 821 . 3 2 66 66 ARG HG3 H 1 1.635 0.005 . 2 . . . A 66 ARG HG3 . 18169 2 822 . 3 2 66 66 ARG HD2 H 1 3.310 0.006 . 2 . . . A 66 ARG HD2 . 18169 2 823 . 3 2 66 66 ARG HD3 H 1 3.297 0.007 . 2 . . . A 66 ARG HD3 . 18169 2 824 . 3 2 66 66 ARG C C 13 175.563 0.004 . 1 . . . A 66 ARG C . 18169 2 825 . 3 2 66 66 ARG CA C 13 57.441 0.081 . 1 . . . A 66 ARG CA . 18169 2 826 . 3 2 66 66 ARG CB C 13 26.869 0.042 . 1 . . . A 66 ARG CB . 18169 2 827 . 3 2 66 66 ARG CG C 13 27.509 0.022 . 1 . . . A 66 ARG CG . 18169 2 828 . 3 2 66 66 ARG CD C 13 43.583 0.005 . 1 . . . A 66 ARG CD . 18169 2 829 . 3 2 66 66 ARG N N 15 115.203 0.020 . 1 . . . A 66 ARG N . 18169 2 830 . 3 2 67 67 ASP H H 1 8.734 0.002 . 1 . . . A 67 ASP H . 18169 2 831 . 3 2 67 67 ASP HA H 1 4.820 0.002 . 1 . . . A 67 ASP HA . 18169 2 832 . 3 2 67 67 ASP HB2 H 1 3.190 0.001 . 2 . . . A 67 ASP HB2 . 18169 2 833 . 3 2 67 67 ASP HB3 H 1 2.428 0.003 . 2 . . . A 67 ASP HB3 . 18169 2 834 . 3 2 67 67 ASP C C 13 177.281 0.004 . 1 . . . A 67 ASP C . 18169 2 835 . 3 2 67 67 ASP CA C 13 53.054 0.014 . 1 . . . A 67 ASP CA . 18169 2 836 . 3 2 67 67 ASP CB C 13 40.848 0.026 . 1 . . . A 67 ASP CB . 18169 2 837 . 3 2 67 67 ASP N N 15 119.708 0.012 . 1 . . . A 67 ASP N . 18169 2 838 . 3 2 68 68 ASN H H 1 10.284 0.002 . 1 . . . A 68 ASN H . 18169 2 839 . 3 2 68 68 ASN HA H 1 4.155 0.006 . 1 . . . A 68 ASN HA . 18169 2 840 . 3 2 68 68 ASN HB2 H 1 3.212 0.004 . 2 . . . A 68 ASN HB2 . 18169 2 841 . 3 2 68 68 ASN HB3 H 1 3.127 0.002 . 2 . . . A 68 ASN HB3 . 18169 2 842 . 3 2 68 68 ASN HD21 H 1 7.517 0.004 . 2 . . . A 68 ASN HD21 . 18169 2 843 . 3 2 68 68 ASN HD22 H 1 6.845 0.001 . 2 . . . A 68 ASN HD22 . 18169 2 844 . 3 2 68 68 ASN C C 13 173.309 0.004 . 1 . . . A 68 ASN C . 18169 2 845 . 3 2 68 68 ASN CA C 13 55.313 0.015 . 1 . . . A 68 ASN CA . 18169 2 846 . 3 2 68 68 ASN CB C 13 38.125 0.010 . 1 . . . A 68 ASN CB . 18169 2 847 . 3 2 68 68 ASN N N 15 116.687 0.027 . 1 . . . A 68 ASN N . 18169 2 848 . 3 2 68 68 ASN ND2 N 15 113.111 0.004 . 1 . . . A 68 ASN ND2 . 18169 2 849 . 3 2 69 69 GLU H H 1 7.818 0.004 . 1 . . . A 69 GLU H . 18169 2 850 . 3 2 69 69 GLU HA H 1 4.868 0.003 . 1 . . . A 69 GLU HA . 18169 2 851 . 3 2 69 69 GLU HB2 H 1 1.485 0.004 . 2 . . . A 69 GLU HB2 . 18169 2 852 . 3 2 69 69 GLU HG2 H 1 2.159 0.004 . 2 . . . A 69 GLU HG2 . 18169 2 853 . 3 2 69 69 GLU C C 13 175.708 0.004 . 1 . . . A 69 GLU C . 18169 2 854 . 3 2 69 69 GLU CA C 13 54.973 0.006 . 1 . . . A 69 GLU CA . 18169 2 855 . 3 2 69 69 GLU CB C 13 35.634 0.004 . 1 . . . A 69 GLU CB . 18169 2 856 . 3 2 69 69 GLU CG C 13 36.038 0.004 . 1 . . . A 69 GLU CG . 18169 2 857 . 3 2 69 69 GLU N N 15 116.159 0.032 . 1 . . . A 69 GLU N . 18169 2 858 . 3 2 70 70 VAL H H 1 10.036 0.006 . 1 . . . A 70 VAL H . 18169 2 859 . 3 2 70 70 VAL HA H 1 5.301 0.002 . 1 . . . A 70 VAL HA . 18169 2 860 . 3 2 70 70 VAL HB H 1 2.248 0.002 . 1 . . . A 70 VAL HB . 18169 2 861 . 3 2 70 70 VAL HG11 H 1 1.198 0.004 . 2 . . . A 70 VAL HG11 . 18169 2 862 . 3 2 70 70 VAL HG12 H 1 1.198 0.004 . 2 . . . A 70 VAL HG12 . 18169 2 863 . 3 2 70 70 VAL HG13 H 1 1.198 0.004 . 2 . . . A 70 VAL HG13 . 18169 2 864 . 3 2 70 70 VAL HG21 H 1 0.914 0.003 . 2 . . . A 70 VAL HG21 . 18169 2 865 . 3 2 70 70 VAL HG22 H 1 0.914 0.003 . 2 . . . A 70 VAL HG22 . 18169 2 866 . 3 2 70 70 VAL HG23 H 1 0.914 0.003 . 2 . . . A 70 VAL HG23 . 18169 2 867 . 3 2 70 70 VAL C C 13 176.009 0.004 . 1 . . . A 70 VAL C . 18169 2 868 . 3 2 70 70 VAL CA C 13 61.389 0.010 . 1 . . . A 70 VAL CA . 18169 2 869 . 3 2 70 70 VAL CB C 13 33.523 0.010 . 1 . . . A 70 VAL CB . 18169 2 870 . 3 2 70 70 VAL CG1 C 13 21.730 0.009 . 2 . . . A 70 VAL CG1 . 18169 2 871 . 3 2 70 70 VAL CG2 C 13 23.241 0.012 . 2 . . . A 70 VAL CG2 . 18169 2 872 . 3 2 70 70 VAL N N 15 126.017 0.015 . 1 . . . A 70 VAL N . 18169 2 873 . 3 2 71 71 ASP H H 1 9.363 0.003 . 1 . . . A 71 ASP H . 18169 2 874 . 3 2 71 71 ASP HA H 1 5.193 0.004 . 1 . . . A 71 ASP HA . 18169 2 875 . 3 2 71 71 ASP HB2 H 1 3.591 0.006 . 2 . . . A 71 ASP HB2 . 18169 2 876 . 3 2 71 71 ASP HB3 H 1 2.733 0.004 . 2 . . . A 71 ASP HB3 . 18169 2 877 . 3 2 71 71 ASP C C 13 175.275 0.004 . 1 . . . A 71 ASP C . 18169 2 878 . 3 2 71 71 ASP CA C 13 52.496 0.004 . 1 . . . A 71 ASP CA . 18169 2 879 . 3 2 71 71 ASP CB C 13 41.871 0.004 . 1 . . . A 71 ASP CB . 18169 2 880 . 3 2 71 71 ASP N N 15 128.856 0.018 . 1 . . . A 71 ASP N . 18169 2 881 . 3 2 72 72 PHE H H 1 8.972 0.003 . 1 . . . A 72 PHE H . 18169 2 882 . 3 2 72 72 PHE HA H 1 3.203 0.002 . 1 . . . A 72 PHE HA . 18169 2 883 . 3 2 72 72 PHE HB2 H 1 2.740 0.003 . 2 . . . A 72 PHE HB2 . 18169 2 884 . 3 2 72 72 PHE HB3 H 1 2.476 0.005 . 2 . . . A 72 PHE HB3 . 18169 2 885 . 3 2 72 72 PHE HD1 H 1 6.208 0.013 . 3 . . . A 72 PHE HD1 . 18169 2 886 . 3 2 72 72 PHE HD2 H 1 6.208 0.013 . 3 . . . A 72 PHE HD2 . 18169 2 887 . 3 2 72 72 PHE HE1 H 1 7.003 0.003 . 3 . . . A 72 PHE HE1 . 18169 2 888 . 3 2 72 72 PHE HE2 H 1 7.003 0.003 . 3 . . . A 72 PHE HE2 . 18169 2 889 . 3 2 72 72 PHE HZ H 1 6.919 0.004 . 1 . . . A 72 PHE HZ . 18169 2 890 . 3 2 72 72 PHE C C 13 177.464 0.004 . 1 . . . A 72 PHE C . 18169 2 891 . 3 2 72 72 PHE CA C 13 63.246 0.028 . 1 . . . A 72 PHE CA . 18169 2 892 . 3 2 72 72 PHE CB C 13 39.423 0.004 . 1 . . . A 72 PHE CB . 18169 2 893 . 3 2 72 72 PHE CD1 C 13 131.936 0.004 . 3 . . . A 72 PHE CD1 . 18169 2 894 . 3 2 72 72 PHE CD2 C 13 131.936 0.004 . 3 . . . A 72 PHE CD2 . 18169 2 895 . 3 2 72 72 PHE CE1 C 13 130.724 0.043 . 3 . . . A 72 PHE CE1 . 18169 2 896 . 3 2 72 72 PHE CE2 C 13 130.724 0.043 . 3 . . . A 72 PHE CE2 . 18169 2 897 . 3 2 72 72 PHE CZ C 13 127.809 0.046 . 1 . . . A 72 PHE CZ . 18169 2 898 . 3 2 72 72 PHE N N 15 118.488 0.028 . 1 . . . A 72 PHE N . 18169 2 899 . 3 2 73 73 GLN H H 1 8.269 0.006 . 1 . . . A 73 GLN H . 18169 2 900 . 3 2 73 73 GLN HA H 1 3.950 0.003 . 1 . . . A 73 GLN HA . 18169 2 901 . 3 2 73 73 GLN HB2 H 1 2.369 0.004 . 2 . . . A 73 GLN HB2 . 18169 2 902 . 3 2 73 73 GLN HB3 H 1 2.272 0.003 . 2 . . . A 73 GLN HB3 . 18169 2 903 . 3 2 73 73 GLN HG2 H 1 2.421 0.006 . 2 . . . A 73 GLN HG2 . 18169 2 904 . 3 2 73 73 GLN HE21 H 1 7.642 0.004 . 2 . . . A 73 GLN HE21 . 18169 2 905 . 3 2 73 73 GLN HE22 H 1 6.790 0.003 . 2 . . . A 73 GLN HE22 . 18169 2 906 . 3 2 73 73 GLN C C 13 178.146 0.004 . 1 . . . A 73 GLN C . 18169 2 907 . 3 2 73 73 GLN CA C 13 60.767 0.024 . 1 . . . A 73 GLN CA . 18169 2 908 . 3 2 73 73 GLN CB C 13 28.410 0.004 . 1 . . . A 73 GLN CB . 18169 2 909 . 3 2 73 73 GLN CG C 13 34.324 0.008 . 1 . . . A 73 GLN CG . 18169 2 910 . 3 2 73 73 GLN N N 15 120.907 0.015 . 1 . . . A 73 GLN N . 18169 2 911 . 3 2 73 73 GLN NE2 N 15 111.925 0.014 . 1 . . . A 73 GLN NE2 . 18169 2 912 . 3 2 74 74 GLU H H 1 8.897 0.003 . 1 . . . A 74 GLU H . 18169 2 913 . 3 2 74 74 GLU HA H 1 4.007 0.001 . 1 . . . A 74 GLU HA . 18169 2 914 . 3 2 74 74 GLU HB2 H 1 2.291 0.004 . 2 . . . A 74 GLU HB2 . 18169 2 915 . 3 2 74 74 GLU HB3 H 1 2.128 0.002 . 2 . . . A 74 GLU HB3 . 18169 2 916 . 3 2 74 74 GLU HG2 H 1 2.925 0.002 . 2 . . . A 74 GLU HG2 . 18169 2 917 . 3 2 74 74 GLU HG3 H 1 2.609 0.003 . 2 . . . A 74 GLU HG3 . 18169 2 918 . 3 2 74 74 GLU C C 13 180.742 0.004 . 1 . . . A 74 GLU C . 18169 2 919 . 3 2 74 74 GLU CA C 13 59.313 0.011 . 1 . . . A 74 GLU CA . 18169 2 920 . 3 2 74 74 GLU CB C 13 30.675 0.006 . 1 . . . A 74 GLU CB . 18169 2 921 . 3 2 74 74 GLU CG C 13 37.039 0.027 . 1 . . . A 74 GLU CG . 18169 2 922 . 3 2 74 74 GLU N N 15 120.116 0.021 . 1 . . . A 74 GLU N . 18169 2 923 . 3 2 75 75 TYR H H 1 8.748 0.004 . 1 . . . A 75 TYR H . 18169 2 924 . 3 2 75 75 TYR HA H 1 4.307 0.003 . 1 . . . A 75 TYR HA . 18169 2 925 . 3 2 75 75 TYR HB2 H 1 3.307 0.002 . 2 . . . A 75 TYR HB2 . 18169 2 926 . 3 2 75 75 TYR HB3 H 1 2.993 0.003 . 2 . . . A 75 TYR HB3 . 18169 2 927 . 3 2 75 75 TYR HD1 H 1 6.913 0.008 . 3 . . . A 75 TYR HD1 . 18169 2 928 . 3 2 75 75 TYR HD2 H 1 6.913 0.008 . 3 . . . A 75 TYR HD2 . 18169 2 929 . 3 2 75 75 TYR HE1 H 1 6.665 0.016 . 3 . . . A 75 TYR HE1 . 18169 2 930 . 3 2 75 75 TYR HE2 H 1 6.665 0.016 . 3 . . . A 75 TYR HE2 . 18169 2 931 . 3 2 75 75 TYR C C 13 176.075 0.004 . 1 . . . A 75 TYR C . 18169 2 932 . 3 2 75 75 TYR CA C 13 60.705 0.025 . 1 . . . A 75 TYR CA . 18169 2 933 . 3 2 75 75 TYR CB C 13 38.547 0.008 . 1 . . . A 75 TYR CB . 18169 2 934 . 3 2 75 75 TYR CD1 C 13 131.663 0.004 . 3 . . . A 75 TYR CD1 . 18169 2 935 . 3 2 75 75 TYR CD2 C 13 131.663 0.004 . 3 . . . A 75 TYR CD2 . 18169 2 936 . 3 2 75 75 TYR CE1 C 13 119.067 0.004 . 3 . . . A 75 TYR CE1 . 18169 2 937 . 3 2 75 75 TYR CE2 C 13 119.067 0.004 . 3 . . . A 75 TYR CE2 . 18169 2 938 . 3 2 75 75 TYR N N 15 123.052 0.027 . 1 . . . A 75 TYR N . 18169 2 939 . 3 2 76 76 CYS H H 1 8.332 0.004 . 1 . . . A 76 CYS H . 18169 2 940 . 3 2 76 76 CYS HA H 1 3.561 0.003 . 1 . . . A 76 CYS HA . 18169 2 941 . 3 2 76 76 CYS HB2 H 1 3.106 0.003 . 2 . . . A 76 CYS HB2 . 18169 2 942 . 3 2 76 76 CYS HB3 H 1 2.594 0.002 . 2 . . . A 76 CYS HB3 . 18169 2 943 . 3 2 76 76 CYS C C 13 178.198 0.004 . 1 . . . A 76 CYS C . 18169 2 944 . 3 2 76 76 CYS CA C 13 65.171 0.008 . 1 . . . A 76 CYS CA . 18169 2 945 . 3 2 76 76 CYS CB C 13 26.103 0.022 . 1 . . . A 76 CYS CB . 18169 2 946 . 3 2 76 76 CYS N N 15 121.074 0.032 . 1 . . . A 76 CYS N . 18169 2 947 . 3 2 77 77 VAL H H 1 8.379 0.003 . 1 . . . A 77 VAL H . 18169 2 948 . 3 2 77 77 VAL HA H 1 3.422 0.002 . 1 . . . A 77 VAL HA . 18169 2 949 . 3 2 77 77 VAL HB H 1 2.297 0.006 . 1 . . . A 77 VAL HB . 18169 2 950 . 3 2 77 77 VAL HG11 H 1 1.161 0.001 . 2 . . . A 77 VAL HG11 . 18169 2 951 . 3 2 77 77 VAL HG12 H 1 1.161 0.001 . 2 . . . A 77 VAL HG12 . 18169 2 952 . 3 2 77 77 VAL HG13 H 1 1.161 0.001 . 2 . . . A 77 VAL HG13 . 18169 2 953 . 3 2 77 77 VAL HG21 H 1 1.020 0.004 . 2 . . . A 77 VAL HG21 . 18169 2 954 . 3 2 77 77 VAL HG22 H 1 1.020 0.004 . 2 . . . A 77 VAL HG22 . 18169 2 955 . 3 2 77 77 VAL HG23 H 1 1.020 0.004 . 2 . . . A 77 VAL HG23 . 18169 2 956 . 3 2 77 77 VAL C C 13 177.766 0.004 . 1 . . . A 77 VAL C . 18169 2 957 . 3 2 77 77 VAL CA C 13 67.289 0.022 . 1 . . . A 77 VAL CA . 18169 2 958 . 3 2 77 77 VAL CB C 13 31.777 0.040 . 1 . . . A 77 VAL CB . 18169 2 959 . 3 2 77 77 VAL CG1 C 13 23.581 0.020 . 2 . . . A 77 VAL CG1 . 18169 2 960 . 3 2 77 77 VAL CG2 C 13 21.928 0.019 . 2 . . . A 77 VAL CG2 . 18169 2 961 . 3 2 77 77 VAL N N 15 122.989 0.028 . 1 . . . A 77 VAL N . 18169 2 962 . 3 2 78 78 PHE H H 1 7.673 0.006 . 1 . . . A 78 PHE H . 18169 2 963 . 3 2 78 78 PHE HA H 1 4.331 0.007 . 1 . . . A 78 PHE HA . 18169 2 964 . 3 2 78 78 PHE HB2 H 1 3.404 0.006 . 2 . . . A 78 PHE HB2 . 18169 2 965 . 3 2 78 78 PHE HB3 H 1 3.239 0.003 . 2 . . . A 78 PHE HB3 . 18169 2 966 . 3 2 78 78 PHE HD1 H 1 7.009 0.003 . 3 . . . A 78 PHE HD1 . 18169 2 967 . 3 2 78 78 PHE HD2 H 1 7.009 0.003 . 3 . . . A 78 PHE HD2 . 18169 2 968 . 3 2 78 78 PHE HE1 H 1 6.894 0.005 . 3 . . . A 78 PHE HE1 . 18169 2 969 . 3 2 78 78 PHE HE2 H 1 6.894 0.005 . 3 . . . A 78 PHE HE2 . 18169 2 970 . 3 2 78 78 PHE HZ H 1 6.819 0.004 . 1 . . . A 78 PHE HZ . 18169 2 971 . 3 2 78 78 PHE C C 13 176.586 0.004 . 1 . . . A 78 PHE C . 18169 2 972 . 3 2 78 78 PHE CA C 13 59.796 0.027 . 1 . . . A 78 PHE CA . 18169 2 973 . 3 2 78 78 PHE CB C 13 38.559 0.030 . 1 . . . A 78 PHE CB . 18169 2 974 . 3 2 78 78 PHE CD1 C 13 131.800 0.060 . 3 . . . A 78 PHE CD1 . 18169 2 975 . 3 2 78 78 PHE CD2 C 13 131.800 0.060 . 3 . . . A 78 PHE CD2 . 18169 2 976 . 3 2 78 78 PHE CE1 C 13 130.229 0.078 . 3 . . . A 78 PHE CE1 . 18169 2 977 . 3 2 78 78 PHE CE2 C 13 130.229 0.078 . 3 . . . A 78 PHE CE2 . 18169 2 978 . 3 2 78 78 PHE CZ C 13 128.912 0.015 . 1 . . . A 78 PHE CZ . 18169 2 979 . 3 2 78 78 PHE N N 15 119.334 0.008 . 1 . . . A 78 PHE N . 18169 2 980 . 3 2 79 79 LEU H H 1 8.577 0.003 . 1 . . . A 79 LEU H . 18169 2 981 . 3 2 79 79 LEU HA H 1 3.286 0.004 . 1 . . . A 79 LEU HA . 18169 2 982 . 3 2 79 79 LEU HB2 H 1 1.432 0.003 . 2 . . . A 79 LEU HB2 . 18169 2 983 . 3 2 79 79 LEU HB3 H 1 1.009 0.004 . 2 . . . A 79 LEU HB3 . 18169 2 984 . 3 2 79 79 LEU HG H 1 1.219 0.003 . 1 . . . A 79 LEU HG . 18169 2 985 . 3 2 79 79 LEU HD11 H 1 0.471 0.003 . 2 . . . A 79 LEU HD11 . 18169 2 986 . 3 2 79 79 LEU HD12 H 1 0.471 0.003 . 2 . . . A 79 LEU HD12 . 18169 2 987 . 3 2 79 79 LEU HD13 H 1 0.471 0.003 . 2 . . . A 79 LEU HD13 . 18169 2 988 . 3 2 79 79 LEU HD21 H 1 0.463 0.001 . 2 . . . A 79 LEU HD21 . 18169 2 989 . 3 2 79 79 LEU HD22 H 1 0.463 0.001 . 2 . . . A 79 LEU HD22 . 18169 2 990 . 3 2 79 79 LEU HD23 H 1 0.463 0.001 . 2 . . . A 79 LEU HD23 . 18169 2 991 . 3 2 79 79 LEU C C 13 179.234 0.004 . 1 . . . A 79 LEU C . 18169 2 992 . 3 2 79 79 LEU CA C 13 57.821 0.040 . 1 . . . A 79 LEU CA . 18169 2 993 . 3 2 79 79 LEU CB C 13 40.907 0.032 . 1 . . . A 79 LEU CB . 18169 2 994 . 3 2 79 79 LEU CG C 13 26.875 0.083 . 1 . . . A 79 LEU CG . 18169 2 995 . 3 2 79 79 LEU CD1 C 13 26.123 0.026 . 2 . . . A 79 LEU CD1 . 18169 2 996 . 3 2 79 79 LEU CD2 C 13 22.464 0.018 . 2 . . . A 79 LEU CD2 . 18169 2 997 . 3 2 79 79 LEU N N 15 119.034 0.022 . 1 . . . A 79 LEU N . 18169 2 998 . 3 2 80 80 SER H H 1 8.240 0.002 . 1 . . . A 80 SER H . 18169 2 999 . 3 2 80 80 SER HA H 1 3.883 0.004 . 1 . . . A 80 SER HA . 18169 2 1000 . 3 2 80 80 SER HB2 H 1 4.305 0.002 . 2 . . . A 80 SER HB2 . 18169 2 1001 . 3 2 80 80 SER HB3 H 1 3.420 0.001 . 2 . . . A 80 SER HB3 . 18169 2 1002 . 3 2 80 80 SER C C 13 175.144 0.004 . 1 . . . A 80 SER C . 18169 2 1003 . 3 2 80 80 SER CA C 13 64.003 0.048 . 1 . . . A 80 SER CA . 18169 2 1004 . 3 2 80 80 SER CB C 13 63.096 0.004 . 1 . . . A 80 SER CB . 18169 2 1005 . 3 2 80 80 SER N N 15 114.976 0.022 . 1 . . . A 80 SER N . 18169 2 1006 . 3 2 81 81 CYS H H 1 7.618 0.004 . 1 . . . A 81 CYS H . 18169 2 1007 . 3 2 81 81 CYS HA H 1 4.373 0.006 . 1 . . . A 81 CYS HA . 18169 2 1008 . 3 2 81 81 CYS HB2 H 1 3.160 0.003 . 2 . . . A 81 CYS HB2 . 18169 2 1009 . 3 2 81 81 CYS HB3 H 1 2.572 0.008 . 2 . . . A 81 CYS HB3 . 18169 2 1010 . 3 2 81 81 CYS HG H 1 2.564 0.008 . 1 . . . A 81 CYS HG . 18169 2 1011 . 3 2 81 81 CYS C C 13 177.897 0.004 . 1 . . . A 81 CYS C . 18169 2 1012 . 3 2 81 81 CYS CA C 13 64.648 0.019 . 1 . . . A 81 CYS CA . 18169 2 1013 . 3 2 81 81 CYS CB C 13 27.072 0.018 . 1 . . . A 81 CYS CB . 18169 2 1014 . 3 2 81 81 CYS N N 15 118.923 0.004 . 1 . . . A 81 CYS N . 18169 2 1015 . 3 2 82 82 ILE H H 1 7.939 0.005 . 1 . . . A 82 ILE H . 18169 2 1016 . 3 2 82 82 ILE HA H 1 3.684 0.003 . 1 . . . A 82 ILE HA . 18169 2 1017 . 3 2 82 82 ILE HB H 1 1.648 0.003 . 1 . . . A 82 ILE HB . 18169 2 1018 . 3 2 82 82 ILE HG12 H 1 0.554 0.004 . 2 . . . A 82 ILE HG12 . 18169 2 1019 . 3 2 82 82 ILE HG13 H 1 0.470 0.006 . 2 . . . A 82 ILE HG13 . 18169 2 1020 . 3 2 82 82 ILE HG21 H 1 0.254 0.002 . 1 . . . A 82 ILE HG21 . 18169 2 1021 . 3 2 82 82 ILE HG22 H 1 0.254 0.002 . 1 . . . A 82 ILE HG22 . 18169 2 1022 . 3 2 82 82 ILE HG23 H 1 0.254 0.002 . 1 . . . A 82 ILE HG23 . 18169 2 1023 . 3 2 82 82 ILE HD11 H 1 -0.163 0.002 . 1 . . . A 82 ILE HD11 . 18169 2 1024 . 3 2 82 82 ILE HD12 H 1 -0.163 0.002 . 1 . . . A 82 ILE HD12 . 18169 2 1025 . 3 2 82 82 ILE HD13 H 1 -0.163 0.002 . 1 . . . A 82 ILE HD13 . 18169 2 1026 . 3 2 82 82 ILE C C 13 178.683 0.004 . 1 . . . A 82 ILE C . 18169 2 1027 . 3 2 82 82 ILE CA C 13 64.201 0.014 . 1 . . . A 82 ILE CA . 18169 2 1028 . 3 2 82 82 ILE CB C 13 35.778 0.019 . 1 . . . A 82 ILE CB . 18169 2 1029 . 3 2 82 82 ILE CG1 C 13 26.669 0.074 . 1 . . . A 82 ILE CG1 . 18169 2 1030 . 3 2 82 82 ILE CG2 C 13 18.464 0.033 . 1 . . . A 82 ILE CG2 . 18169 2 1031 . 3 2 82 82 ILE CD1 C 13 9.999 0.014 . 1 . . . A 82 ILE CD1 . 18169 2 1032 . 3 2 82 82 ILE N N 15 120.779 0.028 . 1 . . . A 82 ILE N . 18169 2 1033 . 3 2 83 83 ALA H H 1 8.823 0.003 . 1 . . . A 83 ALA H . 18169 2 1034 . 3 2 83 83 ALA HA H 1 3.949 0.002 . 1 . . . A 83 ALA HA . 18169 2 1035 . 3 2 83 83 ALA HB1 H 1 1.742 0.003 . 1 . . . A 83 ALA HB1 . 18169 2 1036 . 3 2 83 83 ALA HB2 H 1 1.742 0.003 . 1 . . . A 83 ALA HB2 . 18169 2 1037 . 3 2 83 83 ALA HB3 H 1 1.742 0.003 . 1 . . . A 83 ALA HB3 . 18169 2 1038 . 3 2 83 83 ALA C C 13 180.335 0.004 . 1 . . . A 83 ALA C . 18169 2 1039 . 3 2 83 83 ALA CA C 13 56.462 0.036 . 1 . . . A 83 ALA CA . 18169 2 1040 . 3 2 83 83 ALA CB C 13 17.585 0.012 . 1 . . . A 83 ALA CB . 18169 2 1041 . 3 2 83 83 ALA N N 15 124.500 0.015 . 1 . . . A 83 ALA N . 18169 2 1042 . 3 2 84 84 MET H H 1 8.697 0.004 . 1 . . . A 84 MET H . 18169 2 1043 . 3 2 84 84 MET HA H 1 4.094 0.002 . 1 . . . A 84 MET HA . 18169 2 1044 . 3 2 84 84 MET HB2 H 1 2.403 0.008 . 2 . . . A 84 MET HB2 . 18169 2 1045 . 3 2 84 84 MET HB3 H 1 2.376 0.007 . 2 . . . A 84 MET HB3 . 18169 2 1046 . 3 2 84 84 MET HG2 H 1 3.163 0.003 . 2 . . . A 84 MET HG2 . 18169 2 1047 . 3 2 84 84 MET HG3 H 1 2.830 0.003 . 2 . . . A 84 MET HG3 . 18169 2 1048 . 3 2 84 84 MET HE1 H 1 2.144 0.002 . 1 . . . A 84 MET HE1 . 18169 2 1049 . 3 2 84 84 MET HE2 H 1 2.144 0.002 . 1 . . . A 84 MET HE2 . 18169 2 1050 . 3 2 84 84 MET HE3 H 1 2.144 0.002 . 1 . . . A 84 MET HE3 . 18169 2 1051 . 3 2 84 84 MET C C 13 179.037 0.004 . 1 . . . A 84 MET C . 18169 2 1052 . 3 2 84 84 MET CA C 13 60.204 0.030 . 1 . . . A 84 MET CA . 18169 2 1053 . 3 2 84 84 MET CB C 13 33.963 0.004 . 1 . . . A 84 MET CB . 18169 2 1054 . 3 2 84 84 MET CG C 13 32.022 0.019 . 1 . . . A 84 MET CG . 18169 2 1055 . 3 2 84 84 MET CE C 13 16.815 0.025 . 1 . . . A 84 MET CE . 18169 2 1056 . 3 2 84 84 MET N N 15 117.321 0.026 . 1 . . . A 84 MET N . 18169 2 1057 . 3 2 85 85 MET H H 1 8.085 0.004 . 1 . . . A 85 MET H . 18169 2 1058 . 3 2 85 85 MET HA H 1 4.266 0.004 . 1 . . . A 85 MET HA . 18169 2 1059 . 3 2 85 85 MET HB2 H 1 2.469 0.002 . 2 . . . A 85 MET HB2 . 18169 2 1060 . 3 2 85 85 MET HB3 H 1 2.309 0.005 . 2 . . . A 85 MET HB3 . 18169 2 1061 . 3 2 85 85 MET HG2 H 1 2.910 0.002 . 2 . . . A 85 MET HG2 . 18169 2 1062 . 3 2 85 85 MET HG3 H 1 2.658 0.002 . 2 . . . A 85 MET HG3 . 18169 2 1063 . 3 2 85 85 MET HE1 H 1 2.098 0.002 . 1 . . . A 85 MET HE1 . 18169 2 1064 . 3 2 85 85 MET HE2 H 1 2.098 0.002 . 1 . . . A 85 MET HE2 . 18169 2 1065 . 3 2 85 85 MET HE3 H 1 2.098 0.002 . 1 . . . A 85 MET HE3 . 18169 2 1066 . 3 2 85 85 MET C C 13 179.221 0.004 . 1 . . . A 85 MET C . 18169 2 1067 . 3 2 85 85 MET CA C 13 59.706 0.028 . 1 . . . A 85 MET CA . 18169 2 1068 . 3 2 85 85 MET CB C 13 33.129 0.025 . 1 . . . A 85 MET CB . 18169 2 1069 . 3 2 85 85 MET CG C 13 32.715 0.036 . 1 . . . A 85 MET CG . 18169 2 1070 . 3 2 85 85 MET CE C 13 17.465 0.015 . 1 . . . A 85 MET CE . 18169 2 1071 . 3 2 85 85 MET N N 15 120.696 0.015 . 1 . . . A 85 MET N . 18169 2 1072 . 3 2 86 86 CYS H H 1 8.349 0.006 . 1 . . . A 86 CYS H . 18169 2 1073 . 3 2 86 86 CYS HA H 1 4.254 0.003 . 1 . . . A 86 CYS HA . 18169 2 1074 . 3 2 86 86 CYS HB2 H 1 3.426 0.005 . 2 . . . A 86 CYS HB2 . 18169 2 1075 . 3 2 86 86 CYS HB3 H 1 3.083 0.002 . 2 . . . A 86 CYS HB3 . 18169 2 1076 . 3 2 86 86 CYS C C 13 177.700 0.004 . 1 . . . A 86 CYS C . 18169 2 1077 . 3 2 86 86 CYS CA C 13 63.564 0.023 . 1 . . . A 86 CYS CA . 18169 2 1078 . 3 2 86 86 CYS CB C 13 27.056 0.042 . 1 . . . A 86 CYS CB . 18169 2 1079 . 3 2 86 86 CYS N N 15 118.344 0.019 . 1 . . . A 86 CYS N . 18169 2 1080 . 3 2 87 87 ASN H H 1 8.604 0.006 . 1 . . . A 87 ASN H . 18169 2 1081 . 3 2 87 87 ASN HA H 1 4.263 0.005 . 1 . . . A 87 ASN HA . 18169 2 1082 . 3 2 87 87 ASN HB2 H 1 2.361 0.001 . 2 . . . A 87 ASN HB2 . 18169 2 1083 . 3 2 87 87 ASN HB3 H 1 1.747 0.003 . 2 . . . A 87 ASN HB3 . 18169 2 1084 . 3 2 87 87 ASN C C 13 176.363 0.004 . 1 . . . A 87 ASN C . 18169 2 1085 . 3 2 87 87 ASN CA C 13 56.612 0.027 . 1 . . . A 87 ASN CA . 18169 2 1086 . 3 2 87 87 ASN CB C 13 39.317 0.004 . 1 . . . A 87 ASN CB . 18169 2 1087 . 3 2 87 87 ASN N N 15 118.866 0.031 . 1 . . . A 87 ASN N . 18169 2 1088 . 3 2 88 88 GLU H H 1 7.703 0.003 . 1 . . . A 88 GLU H . 18169 2 1089 . 3 2 88 88 GLU HA H 1 3.945 0.003 . 1 . . . A 88 GLU HA . 18169 2 1090 . 3 2 88 88 GLU HB2 H 1 2.045 0.002 . 2 . . . A 88 GLU HB2 . 18169 2 1091 . 3 2 88 88 GLU HB3 H 1 1.898 0.003 . 2 . . . A 88 GLU HB3 . 18169 2 1092 . 3 2 88 88 GLU HG2 H 1 2.183 0.005 . 2 . . . A 88 GLU HG2 . 18169 2 1093 . 3 2 88 88 GLU HG3 H 1 2.495 0.003 . 2 . . . A 88 GLU HG3 . 18169 2 1094 . 3 2 88 88 GLU C C 13 178.054 0.004 . 1 . . . A 88 GLU C . 18169 2 1095 . 3 2 88 88 GLU CA C 13 59.017 0.033 . 1 . . . A 88 GLU CA . 18169 2 1096 . 3 2 88 88 GLU CB C 13 29.362 0.007 . 1 . . . A 88 GLU CB . 18169 2 1097 . 3 2 88 88 GLU CG C 13 36.692 0.001 . 1 . . . A 88 GLU CG . 18169 2 1098 . 3 2 88 88 GLU N N 15 118.280 0.032 . 1 . . . A 88 GLU N . 18169 2 1099 . 3 2 89 89 PHE H H 1 7.375 0.001 . 1 . . . A 89 PHE H . 18169 2 1100 . 3 2 89 89 PHE HA H 1 4.457 0.003 . 1 . . . A 89 PHE HA . 18169 2 1101 . 3 2 89 89 PHE HB2 H 1 3.262 0.003 . 2 . . . A 89 PHE HB2 . 18169 2 1102 . 3 2 89 89 PHE HB3 H 1 3.031 0.003 . 2 . . . A 89 PHE HB3 . 18169 2 1103 . 3 2 89 89 PHE HD1 H 1 7.250 0.022 . 3 . . . A 89 PHE HD1 . 18169 2 1104 . 3 2 89 89 PHE HD2 H 1 7.250 0.022 . 3 . . . A 89 PHE HD2 . 18169 2 1105 . 3 2 89 89 PHE C C 13 176.402 0.004 . 1 . . . A 89 PHE C . 18169 2 1106 . 3 2 89 89 PHE CA C 13 58.996 0.020 . 1 . . . A 89 PHE CA . 18169 2 1107 . 3 2 89 89 PHE CB C 13 39.304 0.023 . 1 . . . A 89 PHE CB . 18169 2 1108 . 3 2 89 89 PHE CD1 C 13 131.816 0.091 . 3 . . . A 89 PHE CD1 . 18169 2 1109 . 3 2 89 89 PHE CD2 C 13 131.816 0.091 . 3 . . . A 89 PHE CD2 . 18169 2 1110 . 3 2 89 89 PHE N N 15 116.520 0.021 . 1 . . . A 89 PHE N . 18169 2 1111 . 3 2 90 90 PHE H H 1 7.742 0.006 . 1 . . . A 90 PHE H . 18169 2 1112 . 3 2 90 90 PHE HA H 1 4.191 0.005 . 1 . . . A 90 PHE HA . 18169 2 1113 . 3 2 90 90 PHE HB2 H 1 3.037 0.002 . 2 . . . A 90 PHE HB2 . 18169 2 1114 . 3 2 90 90 PHE HB3 H 1 2.942 0.003 . 2 . . . A 90 PHE HB3 . 18169 2 1115 . 3 2 90 90 PHE HD1 H 1 6.945 0.024 . 3 . . . A 90 PHE HD1 . 18169 2 1116 . 3 2 90 90 PHE HD2 H 1 6.945 0.024 . 3 . . . A 90 PHE HD2 . 18169 2 1117 . 3 2 90 90 PHE HE1 H 1 7.133 0.025 . 3 . . . A 90 PHE HE1 . 18169 2 1118 . 3 2 90 90 PHE HE2 H 1 7.133 0.025 . 3 . . . A 90 PHE HE2 . 18169 2 1119 . 3 2 90 90 PHE C C 13 176.612 0.004 . 1 . . . A 90 PHE C . 18169 2 1120 . 3 2 90 90 PHE CA C 13 60.151 0.023 . 1 . . . A 90 PHE CA . 18169 2 1121 . 3 2 90 90 PHE CB C 13 39.552 0.023 . 1 . . . A 90 PHE CB . 18169 2 1122 . 3 2 90 90 PHE CD1 C 13 131.684 0.037 . 3 . . . A 90 PHE CD1 . 18169 2 1123 . 3 2 90 90 PHE CD2 C 13 131.684 0.037 . 3 . . . A 90 PHE CD2 . 18169 2 1124 . 3 2 90 90 PHE CE1 C 13 131.055 0.004 . 3 . . . A 90 PHE CE1 . 18169 2 1125 . 3 2 90 90 PHE CE2 C 13 131.055 0.004 . 3 . . . A 90 PHE CE2 . 18169 2 1126 . 3 2 90 90 PHE N N 15 120.846 0.015 . 1 . . . A 90 PHE N . 18169 2 1127 . 3 2 91 91 GLU H H 1 8.096 0.003 . 1 . . . A 91 GLU H . 18169 2 1128 . 3 2 91 91 GLU HA H 1 3.981 0.012 . 1 . . . A 91 GLU HA . 18169 2 1129 . 3 2 91 91 GLU HB2 H 1 1.903 0.002 . 2 . . . A 91 GLU HB2 . 18169 2 1130 . 3 2 91 91 GLU HB3 H 1 1.800 0.004 . 2 . . . A 91 GLU HB3 . 18169 2 1131 . 3 2 91 91 GLU HG2 H 1 1.972 0.002 . 2 . . . A 91 GLU HG2 . 18169 2 1132 . 3 2 91 91 GLU HG3 H 1 2.271 0.005 . 2 . . . A 91 GLU HG3 . 18169 2 1133 . 3 2 91 91 GLU C C 13 176.560 0.004 . 1 . . . A 91 GLU C . 18169 2 1134 . 3 2 91 91 GLU CA C 13 57.067 0.065 . 1 . . . A 91 GLU CA . 18169 2 1135 . 3 2 91 91 GLU CB C 13 30.314 0.013 . 1 . . . A 91 GLU CB . 18169 2 1136 . 3 2 91 91 GLU CG C 13 36.485 0.018 . 1 . . . A 91 GLU CG . 18169 2 1137 . 3 2 91 91 GLU N N 15 119.977 0.050 . 1 . . . A 91 GLU N . 18169 2 1138 . 3 2 92 92 GLY H H 1 7.227 0.009 . 1 . . . A 92 GLY H . 18169 2 1139 . 3 2 92 92 GLY HA2 H 1 3.805 0.001 . 2 . . . A 92 GLY HA2 . 18169 2 1140 . 3 2 92 92 GLY HA3 H 1 3.726 0.001 . 2 . . . A 92 GLY HA3 . 18169 2 1141 . 3 2 92 92 GLY C C 13 173.269 0.004 . 1 . . . A 92 GLY C . 18169 2 1142 . 3 2 92 92 GLY CA C 13 45.198 0.007 . 1 . . . A 92 GLY CA . 18169 2 1143 . 3 2 92 92 GLY N N 15 106.736 0.012 . 1 . . . A 92 GLY N . 18169 2 1144 . 3 2 93 93 PHE H H 1 7.971 0.002 . 1 . . . A 93 PHE H . 18169 2 1145 . 3 2 93 93 PHE HA H 1 4.804 0.005 . 1 . . . A 93 PHE HA . 18169 2 1146 . 3 2 93 93 PHE HB2 H 1 3.156 0.004 . 2 . . . A 93 PHE HB2 . 18169 2 1147 . 3 2 93 93 PHE HB3 H 1 2.939 0.005 . 2 . . . A 93 PHE HB3 . 18169 2 1148 . 3 2 93 93 PHE HD1 H 1 7.297 0.010 . 3 . . . A 93 PHE HD1 . 18169 2 1149 . 3 2 93 93 PHE HD2 H 1 7.297 0.010 . 3 . . . A 93 PHE HD2 . 18169 2 1150 . 3 2 93 93 PHE HE1 H 1 7.344 0.001 . 3 . . . A 93 PHE HE1 . 18169 2 1151 . 3 2 93 93 PHE HE2 H 1 7.344 0.001 . 3 . . . A 93 PHE HE2 . 18169 2 1152 . 3 2 93 93 PHE CA C 13 56.125 0.004 . 1 . . . A 93 PHE CA . 18169 2 1153 . 3 2 93 93 PHE CB C 13 38.950 0.005 . 1 . . . A 93 PHE CB . 18169 2 1154 . 3 2 93 93 PHE CD1 C 13 132.132 0.073 . 3 . . . A 93 PHE CD1 . 18169 2 1155 . 3 2 93 93 PHE CD2 C 13 132.132 0.073 . 3 . . . A 93 PHE CD2 . 18169 2 1156 . 3 2 93 93 PHE CE1 C 13 131.376 0.017 . 3 . . . A 93 PHE CE1 . 18169 2 1157 . 3 2 93 93 PHE CE2 C 13 131.376 0.017 . 3 . . . A 93 PHE CE2 . 18169 2 1158 . 3 2 93 93 PHE N N 15 119.931 0.012 . 1 . . . A 93 PHE N . 18169 2 1159 . 3 2 94 94 PRO HA H 1 4.442 0.004 . 1 . . . A 94 PRO HA . 18169 2 1160 . 3 2 94 94 PRO HB2 H 1 2.267 0.004 . 2 . . . A 94 PRO HB2 . 18169 2 1161 . 3 2 94 94 PRO HB3 H 1 1.963 0.004 . 2 . . . A 94 PRO HB3 . 18169 2 1162 . 3 2 94 94 PRO HG2 H 1 1.954 0.004 . 2 . . . A 94 PRO HG2 . 18169 2 1163 . 3 2 94 94 PRO HG3 H 1 1.954 0.004 . 2 . . . A 94 PRO HG3 . 18169 2 1164 . 3 2 94 94 PRO HD2 H 1 3.720 0.002 . 2 . . . A 94 PRO HD2 . 18169 2 1165 . 3 2 94 94 PRO HD3 H 1 3.567 0.004 . 2 . . . A 94 PRO HD3 . 18169 2 1166 . 3 2 94 94 PRO C C 13 176.751 0.010 . 1 . . . A 94 PRO C . 18169 2 1167 . 3 2 94 94 PRO CA C 13 63.685 0.010 . 1 . . . A 94 PRO CA . 18169 2 1168 . 3 2 94 94 PRO CB C 13 31.926 0.039 . 1 . . . A 94 PRO CB . 18169 2 1169 . 3 2 94 94 PRO CG C 13 27.432 0.010 . 1 . . . A 94 PRO CG . 18169 2 1170 . 3 2 94 94 PRO CD C 13 50.739 0.010 . 1 . . . A 94 PRO CD . 18169 2 1171 . 3 2 95 95 ASP H H 1 8.292 0.002 . 1 . . . A 95 ASP H . 18169 2 1172 . 3 2 95 95 ASP HA H 1 4.628 0.004 . 1 . . . A 95 ASP HA . 18169 2 1173 . 3 2 95 95 ASP HB2 H 1 2.761 0.003 . 2 . . . A 95 ASP HB2 . 18169 2 1174 . 3 2 95 95 ASP HB3 H 1 2.681 0.003 . 2 . . . A 95 ASP HB3 . 18169 2 1175 . 3 2 95 95 ASP C C 13 176.305 0.050 . 1 . . . A 95 ASP C . 18169 2 1176 . 3 2 95 95 ASP CA C 13 54.471 0.050 . 1 . . . A 95 ASP CA . 18169 2 1177 . 3 2 95 95 ASP CB C 13 41.252 0.050 . 1 . . . A 95 ASP CB . 18169 2 1178 . 3 2 95 95 ASP N N 15 119.694 0.024 . 1 . . . A 95 ASP N . 18169 2 1179 . 3 2 96 96 LYS H H 1 8.146 0.003 . 1 . . . A 96 LYS H . 18169 2 1180 . 3 2 96 96 LYS HA H 1 4.371 0.004 . 1 . . . A 96 LYS HA . 18169 2 1181 . 3 2 96 96 LYS HB2 H 1 1.928 0.004 . 2 . . . A 96 LYS HB2 . 18169 2 1182 . 3 2 96 96 LYS HB3 H 1 1.801 0.004 . 2 . . . A 96 LYS HB3 . 18169 2 1183 . 3 2 96 96 LYS HG2 H 1 1.476 0.004 . 2 . . . A 96 LYS HG2 . 18169 2 1184 . 3 2 96 96 LYS HG3 H 1 1.476 0.004 . 2 . . . A 96 LYS HG3 . 18169 2 1185 . 3 2 96 96 LYS HD2 H 1 1.712 0.004 . 2 . . . A 96 LYS HD2 . 18169 2 1186 . 3 2 96 96 LYS HD3 H 1 1.712 0.004 . 2 . . . A 96 LYS HD3 . 18169 2 1187 . 3 2 96 96 LYS HE2 H 1 3.026 0.004 . 2 . . . A 96 LYS HE2 . 18169 2 1188 . 3 2 96 96 LYS HE3 H 1 3.026 0.004 . 2 . . . A 96 LYS HE3 . 18169 2 1189 . 3 2 96 96 LYS C C 13 176.376 0.004 . 1 . . . A 96 LYS C . 18169 2 1190 . 3 2 96 96 LYS CA C 13 56.181 0.004 . 1 . . . A 96 LYS CA . 18169 2 1191 . 3 2 96 96 LYS CB C 13 33.022 0.002 . 1 . . . A 96 LYS CB . 18169 2 1192 . 3 2 96 96 LYS CG C 13 24.870 0.004 . 1 . . . A 96 LYS CG . 18169 2 1193 . 3 2 96 96 LYS CD C 13 29.091 0.004 . 1 . . . A 96 LYS CD . 18169 2 1194 . 3 2 96 96 LYS CE C 13 42.367 0.004 . 1 . . . A 96 LYS CE . 18169 2 1195 . 3 2 96 96 LYS N N 15 120.816 0.029 . 1 . . . A 96 LYS N . 18169 2 1196 . 3 2 97 97 GLN H H 1 8.214 0.002 . 1 . . . A 97 GLN H . 18169 2 1197 . 3 2 97 97 GLN HA H 1 4.655 0.004 . 1 . . . A 97 GLN HA . 18169 2 1198 . 3 2 97 97 GLN HB2 H 1 2.145 0.004 . 2 . . . A 97 GLN HB2 . 18169 2 1199 . 3 2 97 97 GLN HB3 H 1 1.993 0.004 . 2 . . . A 97 GLN HB3 . 18169 2 1200 . 3 2 97 97 GLN HG2 H 1 2.431 0.004 . 2 . . . A 97 GLN HG2 . 18169 2 1201 . 3 2 97 97 GLN HG3 H 1 2.431 0.004 . 2 . . . A 97 GLN HG3 . 18169 2 1202 . 3 2 97 97 GLN C C 13 174.003 0.004 . 1 . . . A 97 GLN C . 18169 2 1203 . 3 2 97 97 GLN CA C 13 53.840 0.004 . 1 . . . A 97 GLN CA . 18169 2 1204 . 3 2 97 97 GLN CB C 13 29.100 0.004 . 1 . . . A 97 GLN CB . 18169 2 1205 . 3 2 97 97 GLN CG C 13 33.749 0.004 . 1 . . . A 97 GLN CG . 18169 2 1206 . 3 2 97 97 GLN N N 15 121.616 0.016 . 1 . . . A 97 GLN N . 18169 2 1207 . 3 2 98 98 PRO HA H 1 4.479 0.004 . 1 . . . A 98 PRO HA . 18169 2 1208 . 3 2 98 98 PRO HB2 H 1 2.337 0.004 . 2 . . . A 98 PRO HB2 . 18169 2 1209 . 3 2 98 98 PRO HB3 H 1 1.952 0.004 . 2 . . . A 98 PRO HB3 . 18169 2 1210 . 3 2 98 98 PRO HG2 H 1 2.075 0.004 . 2 . . . A 98 PRO HG2 . 18169 2 1211 . 3 2 98 98 PRO HG3 H 1 2.075 0.004 . 2 . . . A 98 PRO HG3 . 18169 2 1212 . 3 2 98 98 PRO HD2 H 1 3.831 0.004 . 2 . . . A 98 PRO HD2 . 18169 2 1213 . 3 2 98 98 PRO HD3 H 1 3.711 0.004 . 2 . . . A 98 PRO HD3 . 18169 2 1214 . 3 2 98 98 PRO C C 13 176.809 0.004 . 1 . . . A 98 PRO C . 18169 2 1215 . 3 2 98 98 PRO CA C 13 63.202 0.004 . 1 . . . A 98 PRO CA . 18169 2 1216 . 3 2 98 98 PRO CB C 13 32.136 0.004 . 1 . . . A 98 PRO CB . 18169 2 1217 . 3 2 98 98 PRO CG C 13 27.559 0.004 . 1 . . . A 98 PRO CG . 18169 2 1218 . 3 2 98 98 PRO CD C 13 50.810 0.004 . 1 . . . A 98 PRO CD . 18169 2 1219 . 3 2 99 99 ARG H H 1 8.375 0.002 . 1 . . . A 99 ARG H . 18169 2 1220 . 3 2 99 99 ARG HA H 1 4.374 0.004 . 1 . . . A 99 ARG HA . 18169 2 1221 . 3 2 99 99 ARG HB2 H 1 1.904 0.004 . 2 . . . A 99 ARG HB2 . 18169 2 1222 . 3 2 99 99 ARG HB3 H 1 1.819 0.004 . 2 . . . A 99 ARG HB3 . 18169 2 1223 . 3 2 99 99 ARG HG2 H 1 1.709 0.004 . 2 . . . A 99 ARG HG2 . 18169 2 1224 . 3 2 99 99 ARG HG3 H 1 1.709 0.004 . 2 . . . A 99 ARG HG3 . 18169 2 1225 . 3 2 99 99 ARG HD2 H 1 3.255 0.004 . 2 . . . A 99 ARG HD2 . 18169 2 1226 . 3 2 99 99 ARG HD3 H 1 3.255 0.004 . 2 . . . A 99 ARG HD3 . 18169 2 1227 . 3 2 99 99 ARG C C 13 176.236 0.004 . 1 . . . A 99 ARG C . 18169 2 1228 . 3 2 99 99 ARG CA C 13 56.075 0.004 . 1 . . . A 99 ARG CA . 18169 2 1229 . 3 2 99 99 ARG CB C 13 31.116 0.001 . 1 . . . A 99 ARG CB . 18169 2 1230 . 3 2 99 99 ARG CG C 13 27.246 0.004 . 1 . . . A 99 ARG CG . 18169 2 1231 . 3 2 99 99 ARG CD C 13 43.534 0.004 . 1 . . . A 99 ARG CD . 18169 2 1232 . 3 2 99 99 ARG N N 15 121.453 0.022 . 1 . . . A 99 ARG N . 18169 2 1233 . 3 2 100 100 LYS H H 1 8.338 0.003 . 1 . . . A 100 LYS H . 18169 2 1234 . 3 2 100 100 LYS HA H 1 4.373 0.001 . 1 . . . A 100 LYS HA . 18169 2 1235 . 3 2 100 100 LYS HB2 H 1 1.903 0.001 . 2 . . . A 100 LYS HB2 . 18169 2 1236 . 3 2 100 100 LYS HB3 H 1 1.809 0.004 . 2 . . . A 100 LYS HB3 . 18169 2 1237 . 3 2 100 100 LYS HG2 H 1 1.501 0.004 . 2 . . . A 100 LYS HG2 . 18169 2 1238 . 3 2 100 100 LYS HG3 H 1 1.501 0.004 . 2 . . . A 100 LYS HG3 . 18169 2 1239 . 3 2 100 100 LYS HD2 H 1 1.753 0.004 . 2 . . . A 100 LYS HD2 . 18169 2 1240 . 3 2 100 100 LYS HD3 H 1 1.753 0.004 . 2 . . . A 100 LYS HD3 . 18169 2 1241 . 3 2 100 100 LYS HE2 H 1 3.065 0.004 . 2 . . . A 100 LYS HE2 . 18169 2 1242 . 3 2 100 100 LYS HE3 H 1 3.065 0.004 . 2 . . . A 100 LYS HE3 . 18169 2 1243 . 3 2 100 100 LYS C C 13 175.530 0.004 . 1 . . . A 100 LYS C . 18169 2 1244 . 3 2 100 100 LYS CA C 13 56.527 0.004 . 1 . . . A 100 LYS CA . 18169 2 1245 . 3 2 100 100 LYS CB C 13 33.357 0.002 . 1 . . . A 100 LYS CB . 18169 2 1246 . 3 2 100 100 LYS CG C 13 24.729 0.004 . 1 . . . A 100 LYS CG . 18169 2 1247 . 3 2 100 100 LYS CD C 13 29.228 0.004 . 1 . . . A 100 LYS CD . 18169 2 1248 . 3 2 100 100 LYS CE C 13 42.421 0.004 . 1 . . . A 100 LYS CE . 18169 2 1249 . 3 2 100 100 LYS N N 15 123.598 0.020 . 1 . . . A 100 LYS N . 18169 2 1250 . 3 2 101 101 LYS H H 1 7.964 0.002 . 1 . . . A 101 LYS H . 18169 2 1251 . 3 2 101 101 LYS HA H 1 4.202 0.004 . 1 . . . A 101 LYS HA . 18169 2 1252 . 3 2 101 101 LYS HB2 H 1 1.864 0.004 . 2 . . . A 101 LYS HB2 . 18169 2 1253 . 3 2 101 101 LYS HB3 H 1 1.771 0.004 . 2 . . . A 101 LYS HB3 . 18169 2 1254 . 3 2 101 101 LYS HG2 H 1 1.371 0.004 . 2 . . . A 101 LYS HG2 . 18169 2 1255 . 3 2 101 101 LYS HG3 H 1 1.371 0.004 . 2 . . . A 101 LYS HG3 . 18169 2 1256 . 3 2 101 101 LYS HD2 H 1 1.743 0.004 . 2 . . . A 101 LYS HD2 . 18169 2 1257 . 3 2 101 101 LYS HD3 H 1 1.743 0.004 . 2 . . . A 101 LYS HD3 . 18169 2 1258 . 3 2 101 101 LYS HE2 H 1 3.025 0.004 . 2 . . . A 101 LYS HE2 . 18169 2 1259 . 3 2 101 101 LYS HE3 H 1 3.025 0.004 . 2 . . . A 101 LYS HE3 . 18169 2 1260 . 3 2 101 101 LYS C C 13 181.219 0.004 . 1 . . . A 101 LYS C . 18169 2 1261 . 3 2 101 101 LYS CA C 13 57.951 0.004 . 1 . . . A 101 LYS CA . 18169 2 1262 . 3 2 101 101 LYS CB C 13 33.913 0.004 . 1 . . . A 101 LYS CB . 18169 2 1263 . 3 2 101 101 LYS CG C 13 24.937 0.004 . 1 . . . A 101 LYS CG . 18169 2 1264 . 3 2 101 101 LYS CD C 13 29.399 0.004 . 1 . . . A 101 LYS CD . 18169 2 1265 . 3 2 101 101 LYS CE C 13 42.449 0.004 . 1 . . . A 101 LYS CE . 18169 2 1266 . 3 2 101 101 LYS N N 15 128.149 0.031 . 1 . . . A 101 LYS N . 18169 2 1267 . 1 1 1 1 GLN HA H 1 4.429 0.004 . 1 . . . C 1897 GLN HA . 18169 2 1268 . 1 1 1 1 GLN HB2 H 1 2.064 0.001 . 2 . . . C 1897 GLN HB2 . 18169 2 1269 . 1 1 1 1 GLN HB3 H 1 2.065 0.002 . 2 . . . C 1897 GLN HB3 . 18169 2 1270 . 1 1 1 1 GLN HG2 H 1 2.226 0.001 . 2 . . . C 1897 GLN HG2 . 18169 2 1271 . 1 1 1 1 GLN HG3 H 1 2.149 0.002 . 2 . . . C 1897 GLN HG3 . 18169 2 1272 . 1 1 1 1 GLN HE21 H 1 7.104 0.004 . 2 . . . C 1897 GLN HE21 . 18169 2 1273 . 1 1 1 1 GLN HE22 H 1 6.486 0.001 . 2 . . . C 1897 GLN HE22 . 18169 2 1274 . 1 1 2 2 ARG H H 1 8.222 0.003 . 1 . . . C 1898 ARG H . 18169 2 1275 . 1 1 2 2 ARG HA H 1 4.338 0.004 . 1 . . . C 1898 ARG HA . 18169 2 1276 . 1 1 2 2 ARG HB2 H 1 1.973 0.004 . 2 . . . C 1898 ARG HB2 . 18169 2 1277 . 1 1 2 2 ARG HB3 H 1 1.934 0.004 . 2 . . . C 1898 ARG HB3 . 18169 2 1278 . 1 1 2 2 ARG HG2 H 1 1.758 0.002 . 2 . . . C 1898 ARG HG2 . 18169 2 1279 . 1 1 2 2 ARG HG3 H 1 1.758 0.002 . 2 . . . C 1898 ARG HG3 . 18169 2 1280 . 1 1 2 2 ARG HD2 H 1 3.298 0.004 . 2 . . . C 1898 ARG HD2 . 18169 2 1281 . 1 1 2 2 ARG HD3 H 1 3.298 0.004 . 2 . . . C 1898 ARG HD3 . 18169 2 1282 . 1 1 3 3 GLU H H 1 8.720 0.002 . 1 . . . C 1899 GLU H . 18169 2 1283 . 1 1 3 3 GLU HB2 H 1 2.148 0.004 . 2 . . . C 1899 GLU HB2 . 18169 2 1284 . 1 1 3 3 GLU HB3 H 1 1.944 0.004 . 2 . . . C 1899 GLU HB3 . 18169 2 1285 . 1 1 3 3 GLU HG2 H 1 2.502 0.004 . 2 . . . C 1899 GLU HG2 . 18169 2 1286 . 1 1 3 3 GLU HG3 H 1 2.334 0.003 . 2 . . . C 1899 GLU HG3 . 18169 2 1287 . 1 1 4 4 LEU H H 1 9.146 0.003 . 1 . . . C 1900 LEU H . 18169 2 1288 . 1 1 4 4 LEU HA H 1 4.196 0.003 . 1 . . . C 1900 LEU HA . 18169 2 1289 . 1 1 4 4 LEU HB2 H 1 1.602 0.006 . 2 . . . C 1900 LEU HB2 . 18169 2 1290 . 1 1 4 4 LEU HB3 H 1 2.078 0.004 . 2 . . . C 1900 LEU HB3 . 18169 2 1291 . 1 1 4 4 LEU HG H 1 2.162 0.004 . 1 . . . C 1900 LEU HG . 18169 2 1292 . 1 1 4 4 LEU HD11 H 1 0.959 0.003 . 2 . . . C 1900 LEU HD11 . 18169 2 1293 . 1 1 4 4 LEU HD12 H 1 0.959 0.003 . 2 . . . C 1900 LEU HD12 . 18169 2 1294 . 1 1 4 4 LEU HD13 H 1 0.959 0.003 . 2 . . . C 1900 LEU HD13 . 18169 2 1295 . 1 1 4 4 LEU HD21 H 1 1.092 0.002 . 2 . . . C 1900 LEU HD21 . 18169 2 1296 . 1 1 4 4 LEU HD22 H 1 1.092 0.002 . 2 . . . C 1900 LEU HD22 . 18169 2 1297 . 1 1 4 4 LEU HD23 H 1 1.092 0.002 . 2 . . . C 1900 LEU HD23 . 18169 2 1298 . 1 1 6 6 ASP HB2 H 1 2.829 0.002 . 2 . . . C 1902 ASP HB2 . 18169 2 1299 . 1 1 6 6 ASP HB3 H 1 2.882 0.004 . 2 . . . C 1902 ASP HB3 . 18169 2 1300 . 1 1 7 7 ALA H H 1 8.147 0.002 . 1 . . . C 1903 ALA H . 18169 2 1301 . 1 1 7 7 ALA HA H 1 4.336 0.001 . 1 . . . C 1903 ALA HA . 18169 2 1302 . 1 1 7 7 ALA HB1 H 1 1.598 0.003 . 1 . . . C 1903 ALA HB1 . 18169 2 1303 . 1 1 7 7 ALA HB2 H 1 1.598 0.003 . 1 . . . C 1903 ALA HB2 . 18169 2 1304 . 1 1 7 7 ALA HB3 H 1 1.598 0.003 . 1 . . . C 1903 ALA HB3 . 18169 2 1305 . 1 1 8 8 THR H H 1 7.508 0.002 . 1 . . . C 1904 THR H . 18169 2 1306 . 1 1 8 8 THR HA H 1 4.682 0.004 . 1 . . . C 1904 THR HA . 18169 2 1307 . 1 1 8 8 THR HB H 1 4.752 0.004 . 1 . . . C 1904 THR HB . 18169 2 1308 . 1 1 8 8 THR HG21 H 1 1.487 0.002 . 1 . . . C 1904 THR HG21 . 18169 2 1309 . 1 1 8 8 THR HG22 H 1 1.487 0.002 . 1 . . . C 1904 THR HG22 . 18169 2 1310 . 1 1 8 8 THR HG23 H 1 1.487 0.002 . 1 . . . C 1904 THR HG23 . 18169 2 1311 . 1 1 9 9 GLU H H 1 7.567 0.002 . 1 . . . C 1905 GLU H . 18169 2 1312 . 1 1 9 9 GLU HA H 1 4.099 0.003 . 1 . . . C 1905 GLU HA . 18169 2 1313 . 1 1 9 9 GLU HB2 H 1 2.278 0.004 . 2 . . . C 1905 GLU HB2 . 18169 2 1314 . 1 1 9 9 GLU HB3 H 1 2.278 0.004 . 2 . . . C 1905 GLU HB3 . 18169 2 1315 . 1 1 9 9 GLU HG2 H 1 2.590 0.017 . 2 . . . C 1905 GLU HG2 . 18169 2 1316 . 1 1 9 9 GLU HG3 H 1 2.638 0.012 . 2 . . . C 1905 GLU HG3 . 18169 2 1317 . 1 1 10 10 THR H H 1 7.743 0.002 . 1 . . . C 1906 THR H . 18169 2 1318 . 1 1 10 10 THR HA H 1 4.655 0.004 . 1 . . . C 1906 THR HA . 18169 2 1319 . 1 1 10 10 THR HB H 1 4.586 0.004 . 1 . . . C 1906 THR HB . 18169 2 1320 . 1 1 10 10 THR HG21 H 1 1.305 0.001 . 1 . . . C 1906 THR HG21 . 18169 2 1321 . 1 1 10 10 THR HG22 H 1 1.305 0.001 . 1 . . . C 1906 THR HG22 . 18169 2 1322 . 1 1 10 10 THR HG23 H 1 1.305 0.001 . 1 . . . C 1906 THR HG23 . 18169 2 1323 . 1 1 11 11 ALA H H 1 7.692 0.001 . 1 . . . C 1907 ALA H . 18169 2 1324 . 1 1 11 11 ALA HA H 1 3.773 0.002 . 1 . . . C 1907 ALA HA . 18169 2 1325 . 1 1 11 11 ALA HB1 H 1 1.648 0.003 . 1 . . . C 1907 ALA HB1 . 18169 2 1326 . 1 1 11 11 ALA HB2 H 1 1.648 0.003 . 1 . . . C 1907 ALA HB2 . 18169 2 1327 . 1 1 11 11 ALA HB3 H 1 1.648 0.003 . 1 . . . C 1907 ALA HB3 . 18169 2 1328 . 1 1 12 12 ASP H H 1 8.913 0.002 . 1 . . . C 1908 ASP H . 18169 2 1329 . 1 1 12 12 ASP HA H 1 4.453 0.004 . 1 . . . C 1908 ASP HA . 18169 2 1330 . 1 1 12 12 ASP HB2 H 1 2.930 0.001 . 2 . . . C 1908 ASP HB2 . 18169 2 1331 . 1 1 12 12 ASP HB3 H 1 2.828 0.001 . 2 . . . C 1908 ASP HB3 . 18169 2 1332 . 1 1 13 13 ALA H H 1 8.041 0.002 . 1 . . . C 1909 ALA H . 18169 2 1333 . 1 1 13 13 ALA HA H 1 4.128 0.004 . 1 . . . C 1909 ALA HA . 18169 2 1334 . 1 1 13 13 ALA HB1 H 1 1.578 0.002 . 1 . . . C 1909 ALA HB1 . 18169 2 1335 . 1 1 13 13 ALA HB2 H 1 1.578 0.002 . 1 . . . C 1909 ALA HB2 . 18169 2 1336 . 1 1 13 13 ALA HB3 H 1 1.578 0.002 . 1 . . . C 1909 ALA HB3 . 18169 2 1337 . 1 1 14 14 MET H H 1 8.142 0.002 . 1 . . . C 1910 MET H . 18169 2 1338 . 1 1 14 14 MET HA H 1 4.253 0.003 . 1 . . . C 1910 MET HA . 18169 2 1339 . 1 1 14 14 MET HB2 H 1 2.272 0.003 . 2 . . . C 1910 MET HB2 . 18169 2 1340 . 1 1 14 14 MET HB3 H 1 2.559 0.001 . 2 . . . C 1910 MET HB3 . 18169 2 1341 . 1 1 14 14 MET HG2 H 1 1.997 0.006 . 2 . . . C 1910 MET HG2 . 18169 2 1342 . 1 1 14 14 MET HG3 H 1 1.997 0.006 . 2 . . . C 1910 MET HG3 . 18169 2 1343 . 1 1 14 14 MET HE1 H 1 2.004 0.007 . 1 . . . C 1910 MET HE1 . 18169 2 1344 . 1 1 14 14 MET HE2 H 1 2.004 0.007 . 1 . . . C 1910 MET HE2 . 18169 2 1345 . 1 1 14 14 MET HE3 H 1 2.004 0.007 . 1 . . . C 1910 MET HE3 . 18169 2 1346 . 1 1 15 15 ASN H H 1 9.005 0.002 . 1 . . . C 1911 ASN H . 18169 2 1347 . 1 1 15 15 ASN HA H 1 4.247 0.002 . 1 . . . C 1911 ASN HA . 18169 2 1348 . 1 1 15 15 ASN HB2 H 1 3.158 0.003 . 2 . . . C 1911 ASN HB2 . 18169 2 1349 . 1 1 15 15 ASN HB3 H 1 2.699 0.002 . 2 . . . C 1911 ASN HB3 . 18169 2 1350 . 1 1 15 15 ASN HD21 H 1 7.829 0.006 . 2 . . . C 1911 ASN HD21 . 18169 2 1351 . 1 1 15 15 ASN HD22 H 1 7.435 0.002 . 2 . . . C 1911 ASN HD22 . 18169 2 1352 . 1 1 16 16 ARG H H 1 7.616 0.002 . 1 . . . C 1912 ARG H . 18169 2 1353 . 1 1 16 16 ARG HA H 1 4.153 0.002 . 1 . . . C 1912 ARG HA . 18169 2 1354 . 1 1 16 16 ARG HB2 H 1 2.149 0.003 . 2 . . . C 1912 ARG HB2 . 18169 2 1355 . 1 1 16 16 ARG HB3 H 1 2.065 0.006 . 2 . . . C 1912 ARG HB3 . 18169 2 1356 . 1 1 16 16 ARG HG2 H 1 1.700 0.003 . 2 . . . C 1912 ARG HG2 . 18169 2 1357 . 1 1 16 16 ARG HG3 H 1 1.954 0.002 . 2 . . . C 1912 ARG HG3 . 18169 2 1358 . 1 1 16 16 ARG HD2 H 1 3.283 0.007 . 2 . . . C 1912 ARG HD2 . 18169 2 1359 . 1 1 16 16 ARG HD3 H 1 3.399 0.004 . 2 . . . C 1912 ARG HD3 . 18169 2 1360 . 1 1 17 17 GLU H H 1 7.814 0.001 . 1 . . . C 1913 GLU H . 18169 2 1361 . 1 1 17 17 GLU HA H 1 4.247 0.004 . 1 . . . C 1913 GLU HA . 18169 2 1362 . 1 1 17 17 GLU HB2 H 1 2.316 0.001 . 2 . . . C 1913 GLU HB2 . 18169 2 1363 . 1 1 17 17 GLU HB3 H 1 2.318 0.003 . 2 . . . C 1913 GLU HB3 . 18169 2 1364 . 1 1 17 17 GLU HG2 H 1 2.505 0.003 . 2 . . . C 1913 GLU HG2 . 18169 2 1365 . 1 1 17 17 GLU HG3 H 1 2.564 0.002 . 2 . . . C 1913 GLU HG3 . 18169 2 1366 . 1 1 18 18 VAL H H 1 8.812 0.002 . 1 . . . C 1914 VAL H . 18169 2 1367 . 1 1 18 18 VAL HA H 1 3.601 0.002 . 1 . . . C 1914 VAL HA . 18169 2 1368 . 1 1 18 18 VAL HB H 1 2.167 0.002 . 1 . . . C 1914 VAL HB . 18169 2 1369 . 1 1 18 18 VAL HG11 H 1 1.169 0.003 . 2 . . . C 1914 VAL HG11 . 18169 2 1370 . 1 1 18 18 VAL HG12 H 1 1.169 0.003 . 2 . . . C 1914 VAL HG12 . 18169 2 1371 . 1 1 18 18 VAL HG13 H 1 1.169 0.003 . 2 . . . C 1914 VAL HG13 . 18169 2 1372 . 1 1 18 18 VAL HG21 H 1 0.987 0.002 . 2 . . . C 1914 VAL HG21 . 18169 2 1373 . 1 1 18 18 VAL HG22 H 1 0.987 0.002 . 2 . . . C 1914 VAL HG22 . 18169 2 1374 . 1 1 18 18 VAL HG23 H 1 0.987 0.002 . 2 . . . C 1914 VAL HG23 . 18169 2 1375 . 1 1 19 19 SER H H 1 8.443 0.002 . 1 . . . C 1915 SER H . 18169 2 1376 . 1 1 19 19 SER HA H 1 4.171 0.001 . 1 . . . C 1915 SER HA . 18169 2 1377 . 1 1 19 19 SER HB2 H 1 4.095 0.004 . 2 . . . C 1915 SER HB2 . 18169 2 1378 . 1 1 19 19 SER HB3 H 1 4.030 0.004 . 2 . . . C 1915 SER HB3 . 18169 2 1379 . 1 1 20 20 SER H H 1 7.852 0.004 . 1 . . . C 1916 SER H . 18169 2 1380 . 1 1 20 20 SER HA H 1 4.375 0.002 . 1 . . . C 1916 SER HA . 18169 2 1381 . 1 1 20 20 SER HB2 H 1 4.095 0.004 . 2 . . . C 1916 SER HB2 . 18169 2 1382 . 1 1 20 20 SER HB3 H 1 4.047 0.005 . 2 . . . C 1916 SER HB3 . 18169 2 1383 . 1 1 21 21 LEU H H 1 8.142 0.002 . 1 . . . C 1917 LEU H . 18169 2 1384 . 1 1 21 21 LEU HA H 1 4.263 0.003 . 1 . . . C 1917 LEU HA . 18169 2 1385 . 1 1 21 21 LEU HB2 H 1 1.642 0.004 . 2 . . . C 1917 LEU HB2 . 18169 2 1386 . 1 1 21 21 LEU HB3 H 1 1.983 0.003 . 2 . . . C 1917 LEU HB3 . 18169 2 1387 . 1 1 21 21 LEU HD11 H 1 1.186 0.002 . 2 . . . C 1917 LEU HD11 . 18169 2 1388 . 1 1 21 21 LEU HD12 H 1 1.186 0.002 . 2 . . . C 1917 LEU HD12 . 18169 2 1389 . 1 1 21 21 LEU HD13 H 1 1.186 0.002 . 2 . . . C 1917 LEU HD13 . 18169 2 1390 . 1 1 21 21 LEU HD21 H 1 1.018 0.005 . 2 . . . C 1917 LEU HD21 . 18169 2 1391 . 1 1 21 21 LEU HD22 H 1 1.018 0.005 . 2 . . . C 1917 LEU HD22 . 18169 2 1392 . 1 1 21 21 LEU HD23 H 1 1.018 0.005 . 2 . . . C 1917 LEU HD23 . 18169 2 1393 . 1 1 22 22 LYS H H 1 8.904 0.003 . 1 . . . C 1918 LYS H . 18169 2 1394 . 1 1 22 22 LYS HA H 1 3.913 0.002 . 1 . . . C 1918 LYS HA . 18169 2 1395 . 1 1 22 22 LYS HB2 H 1 2.093 0.002 . 2 . . . C 1918 LYS HB2 . 18169 2 1396 . 1 1 22 22 LYS HB3 H 1 2.074 0.006 . 2 . . . C 1918 LYS HB3 . 18169 2 1397 . 1 1 22 22 LYS HG2 H 1 1.540 0.002 . 2 . . . C 1918 LYS HG2 . 18169 2 1398 . 1 1 22 22 LYS HG3 H 1 1.540 0.002 . 2 . . . C 1918 LYS HG3 . 18169 2 1399 . 1 1 22 22 LYS HD2 H 1 1.670 0.004 . 2 . . . C 1918 LYS HD2 . 18169 2 1400 . 1 1 22 22 LYS HD3 H 1 1.802 0.024 . 2 . . . C 1918 LYS HD3 . 18169 2 1401 . 1 1 22 22 LYS HE2 H 1 3.047 0.001 . 2 . . . C 1918 LYS HE2 . 18169 2 1402 . 1 1 22 22 LYS HE3 H 1 3.047 0.001 . 2 . . . C 1918 LYS HE3 . 18169 2 1403 . 1 1 23 23 ASN H H 1 7.484 0.002 . 1 . . . C 1919 ASN H . 18169 2 1404 . 1 1 23 23 ASN HA H 1 4.583 0.001 . 1 . . . C 1919 ASN HA . 18169 2 1405 . 1 1 23 23 ASN HB2 H 1 2.953 0.003 . 2 . . . C 1919 ASN HB2 . 18169 2 1406 . 1 1 23 23 ASN HB3 H 1 3.000 0.002 . 2 . . . C 1919 ASN HB3 . 18169 2 1407 . 1 1 23 23 ASN HD21 H 1 7.655 0.001 . 2 . . . C 1919 ASN HD21 . 18169 2 1408 . 1 1 23 23 ASN HD22 H 1 7.038 0.001 . 2 . . . C 1919 ASN HD22 . 18169 2 1409 . 1 1 24 24 LYS H H 1 7.835 0.002 . 1 . . . C 1920 LYS H . 18169 2 1410 . 1 1 24 24 LYS HA H 1 4.149 0.042 . 1 . . . C 1920 LYS HA . 18169 2 1411 . 1 1 24 24 LYS HB2 H 1 1.937 0.002 . 2 . . . C 1920 LYS HB2 . 18169 2 1412 . 1 1 24 24 LYS HB3 H 1 1.937 0.002 . 2 . . . C 1920 LYS HB3 . 18169 2 1413 . 1 1 24 24 LYS HG2 H 1 1.530 0.002 . 2 . . . C 1920 LYS HG2 . 18169 2 1414 . 1 1 24 24 LYS HG3 H 1 1.832 0.001 . 2 . . . C 1920 LYS HG3 . 18169 2 1415 . 1 1 25 25 LEU H H 1 8.307 0.002 . 1 . . . C 1921 LEU H . 18169 2 1416 . 1 1 25 25 LEU HA H 1 4.247 0.003 . 1 . . . C 1921 LEU HA . 18169 2 1417 . 1 1 25 25 LEU HB2 H 1 1.995 0.009 . 2 . . . C 1921 LEU HB2 . 18169 2 1418 . 1 1 25 25 LEU HB3 H 1 1.690 0.005 . 2 . . . C 1921 LEU HB3 . 18169 2 1419 . 1 1 25 25 LEU HD11 H 1 0.931 0.003 . 2 . . . C 1921 LEU HD11 . 18169 2 1420 . 1 1 25 25 LEU HD12 H 1 0.931 0.003 . 2 . . . C 1921 LEU HD12 . 18169 2 1421 . 1 1 25 25 LEU HD13 H 1 0.931 0.003 . 2 . . . C 1921 LEU HD13 . 18169 2 1422 . 1 1 25 25 LEU HD21 H 1 0.900 0.007 . 2 . . . C 1921 LEU HD21 . 18169 2 1423 . 1 1 25 25 LEU HD22 H 1 0.900 0.007 . 2 . . . C 1921 LEU HD22 . 18169 2 1424 . 1 1 25 25 LEU HD23 H 1 0.900 0.007 . 2 . . . C 1921 LEU HD23 . 18169 2 1425 . 1 1 26 26 ARG H H 1 7.683 0.002 . 1 . . . C 1922 ARG H . 18169 2 1426 . 1 1 26 26 ARG HA H 1 4.393 0.001 . 1 . . . C 1922 ARG HA . 18169 2 1427 . 1 1 26 26 ARG HB2 H 1 2.097 0.002 . 2 . . . C 1922 ARG HB2 . 18169 2 1428 . 1 1 26 26 ARG HB3 H 1 2.009 0.001 . 2 . . . C 1922 ARG HB3 . 18169 2 1429 . 1 1 26 26 ARG HG2 H 1 1.829 0.001 . 2 . . . C 1922 ARG HG2 . 18169 2 1430 . 1 1 26 26 ARG HG3 H 1 1.905 0.003 . 2 . . . C 1922 ARG HG3 . 18169 2 1431 . 1 1 26 26 ARG HD2 H 1 3.323 0.004 . 2 . . . C 1922 ARG HD2 . 18169 2 1432 . 1 1 26 26 ARG HD3 H 1 3.323 0.004 . 2 . . . C 1922 ARG HD3 . 18169 2 1433 . 1 1 27 27 ARG H H 1 7.619 0.003 . 1 . . . C 1923 ARG H . 18169 2 1434 . 1 1 27 27 ARG HA H 1 4.418 0.012 . 1 . . . C 1923 ARG HA . 18169 2 1435 . 1 1 27 27 ARG HB2 H 1 1.955 0.001 . 2 . . . C 1923 ARG HB2 . 18169 2 1436 . 1 1 27 27 ARG HB3 H 1 2.058 0.029 . 2 . . . C 1923 ARG HB3 . 18169 2 1437 . 1 1 27 27 ARG HG2 H 1 1.790 0.001 . 2 . . . C 1923 ARG HG2 . 18169 2 1438 . 1 1 27 27 ARG HG3 H 1 1.832 0.003 . 2 . . . C 1923 ARG HG3 . 18169 2 1439 . 1 1 27 27 ARG HD2 H 1 3.304 0.004 . 2 . . . C 1923 ARG HD2 . 18169 2 1440 . 1 1 27 27 ARG HD3 H 1 3.304 0.004 . 2 . . . C 1923 ARG HD3 . 18169 2 1441 . 1 1 28 28 GLY H H 1 8.038 0.001 . 1 . . . C 1924 GLY H . 18169 2 1442 . 1 1 28 28 GLY HA2 H 1 4.097 0.004 . 2 . . . C 1924 GLY HA2 . 18169 2 1443 . 1 1 28 28 GLY HA3 H 1 4.057 0.001 . 2 . . . C 1924 GLY HA3 . 18169 2 1444 . 1 1 29 29 ASP H H 1 8.253 0.004 . 1 . . . C 1925 ASP H . 18169 2 1445 . 1 1 29 29 ASP HA H 1 4.576 0.004 . 1 . . . C 1925 ASP HA . 18169 2 1446 . 1 1 29 29 ASP HB2 H 1 2.696 0.004 . 2 . . . C 1925 ASP HB2 . 18169 2 1447 . 1 1 29 29 ASP HB3 H 1 2.696 0.004 . 2 . . . C 1925 ASP HB3 . 18169 2 1448 . 1 1 30 30 LEU H H 1 7.989 0.002 . 1 . . . C 1926 LEU H . 18169 2 1449 . 1 1 30 30 LEU HA H 1 4.686 0.004 . 1 . . . C 1926 LEU HA . 18169 2 1450 . 1 1 30 30 LEU HB2 H 1 1.855 0.004 . 2 . . . C 1926 LEU HB2 . 18169 2 1451 . 1 1 30 30 LEU HB3 H 1 1.346 0.002 . 2 . . . C 1926 LEU HB3 . 18169 2 1452 . 1 1 30 30 LEU HG H 1 1.688 0.003 . 1 . . . C 1926 LEU HG . 18169 2 1453 . 1 1 30 30 LEU HD11 H 1 0.947 0.006 . 2 . . . C 1926 LEU HD11 . 18169 2 1454 . 1 1 30 30 LEU HD12 H 1 0.947 0.006 . 2 . . . C 1926 LEU HD12 . 18169 2 1455 . 1 1 30 30 LEU HD13 H 1 0.947 0.006 . 2 . . . C 1926 LEU HD13 . 18169 2 1456 . 1 1 30 30 LEU HD21 H 1 0.870 0.005 . 2 . . . C 1926 LEU HD21 . 18169 2 1457 . 1 1 30 30 LEU HD22 H 1 0.870 0.005 . 2 . . . C 1926 LEU HD22 . 18169 2 1458 . 1 1 30 30 LEU HD23 H 1 0.870 0.005 . 2 . . . C 1926 LEU HD23 . 18169 2 1459 . 1 1 31 31 PRO HA H 1 4.604 0.004 . 1 . . . C 1927 PRO HA . 18169 2 1460 . 1 1 31 31 PRO HB2 H 1 1.907 0.022 . 2 . . . C 1927 PRO HB2 . 18169 2 1461 . 1 1 31 31 PRO HB3 H 1 1.885 0.004 . 2 . . . C 1927 PRO HB3 . 18169 2 1462 . 1 1 31 31 PRO HG2 H 1 1.352 0.002 . 2 . . . C 1927 PRO HG2 . 18169 2 1463 . 1 1 31 31 PRO HG3 H 1 1.614 0.006 . 2 . . . C 1927 PRO HG3 . 18169 2 1464 . 1 1 31 31 PRO HD2 H 1 3.248 0.005 . 2 . . . C 1927 PRO HD2 . 18169 2 1465 . 1 1 31 31 PRO HD3 H 1 3.700 0.004 . 2 . . . C 1927 PRO HD3 . 18169 2 1466 . 1 1 32 32 PHE H H 1 7.041 0.004 . 1 . . . C 1928 PHE H . 18169 2 1467 . 1 1 32 32 PHE HA H 1 5.320 0.002 . 1 . . . C 1928 PHE HA . 18169 2 1468 . 1 1 32 32 PHE HB2 H 1 3.085 0.008 . 2 . . . C 1928 PHE HB2 . 18169 2 1469 . 1 1 32 32 PHE HB3 H 1 3.028 0.005 . 2 . . . C 1928 PHE HB3 . 18169 2 1470 . 1 1 32 32 PHE HD1 H 1 7.298 0.006 . 3 . . . C 1928 PHE HD1 . 18169 2 1471 . 1 1 32 32 PHE HD2 H 1 7.298 0.006 . 3 . . . C 1928 PHE HD2 . 18169 2 1472 . 1 1 32 32 PHE HE1 H 1 7.291 0.004 . 3 . . . C 1928 PHE HE1 . 18169 2 1473 . 1 1 32 32 PHE HE2 H 1 7.291 0.004 . 3 . . . C 1928 PHE HE2 . 18169 2 1474 . 1 1 32 32 PHE HZ H 1 7.204 0.003 . 1 . . . C 1928 PHE HZ . 18169 2 1475 . 1 1 33 33 VAL H H 1 8.583 0.005 . 1 . . . C 1929 VAL H . 18169 2 1476 . 1 1 33 33 VAL HA H 1 4.422 0.004 . 1 . . . C 1929 VAL HA . 18169 2 1477 . 1 1 33 33 VAL HB H 1 2.000 0.009 . 1 . . . C 1929 VAL HB . 18169 2 1478 . 1 1 33 33 VAL HG11 H 1 0.884 0.004 . 2 . . . C 1929 VAL HG11 . 18169 2 1479 . 1 1 33 33 VAL HG12 H 1 0.884 0.004 . 2 . . . C 1929 VAL HG12 . 18169 2 1480 . 1 1 33 33 VAL HG13 H 1 0.884 0.004 . 2 . . . C 1929 VAL HG13 . 18169 2 1481 . 1 1 33 33 VAL HG21 H 1 0.786 0.002 . 2 . . . C 1929 VAL HG21 . 18169 2 1482 . 1 1 33 33 VAL HG22 H 1 0.786 0.002 . 2 . . . C 1929 VAL HG22 . 18169 2 1483 . 1 1 33 33 VAL HG23 H 1 0.786 0.002 . 2 . . . C 1929 VAL HG23 . 18169 2 1484 . 1 1 34 34 VAL H H 1 8.008 0.001 . 1 . . . C 1930 VAL H . 18169 2 1485 . 1 1 34 34 VAL HA H 1 4.327 0.003 . 1 . . . C 1930 VAL HA . 18169 2 1486 . 1 1 34 34 VAL HB H 1 1.929 0.001 . 1 . . . C 1930 VAL HB . 18169 2 1487 . 1 1 34 34 VAL HG11 H 1 0.964 0.003 . 2 . . . C 1930 VAL HG11 . 18169 2 1488 . 1 1 34 34 VAL HG12 H 1 0.964 0.003 . 2 . . . C 1930 VAL HG12 . 18169 2 1489 . 1 1 34 34 VAL HG13 H 1 0.964 0.003 . 2 . . . C 1930 VAL HG13 . 18169 2 1490 . 1 1 34 34 VAL HG21 H 1 1.028 0.003 . 2 . . . C 1930 VAL HG21 . 18169 2 1491 . 1 1 34 34 VAL HG22 H 1 1.028 0.003 . 2 . . . C 1930 VAL HG22 . 18169 2 1492 . 1 1 34 34 VAL HG23 H 1 1.028 0.003 . 2 . . . C 1930 VAL HG23 . 18169 2 1493 . 1 1 37 37 ARG H H 1 8.126 0.001 . 1 . . . C 1933 ARG H . 18169 2 1494 . 1 1 37 37 ARG HA H 1 4.280 0.003 . 1 . . . C 1933 ARG HA . 18169 2 1495 . 1 1 37 37 ARG HB2 H 1 1.741 0.003 . 2 . . . C 1933 ARG HB2 . 18169 2 1496 . 1 1 37 37 ARG HB3 H 1 1.787 0.003 . 2 . . . C 1933 ARG HB3 . 18169 2 1497 . 1 1 37 37 ARG HG2 H 1 1.538 0.003 . 2 . . . C 1933 ARG HG2 . 18169 2 1498 . 1 1 37 37 ARG HG3 H 1 1.538 0.003 . 2 . . . C 1933 ARG HG3 . 18169 2 1499 . 1 1 38 38 MET HE1 H 1 2.148 0.003 . 1 . . . C 1934 MET HE1 . 18169 2 1500 . 1 1 38 38 MET HE2 H 1 2.148 0.003 . 1 . . . C 1934 MET HE2 . 18169 2 1501 . 1 1 38 38 MET HE3 H 1 2.148 0.003 . 1 . . . C 1934 MET HE3 . 18169 2 1502 . 1 1 39 39 ALA H H 1 8.137 0.004 . 1 . . . C 1935 ALA H . 18169 2 1503 . 1 1 39 39 ALA HA H 1 4.275 0.003 . 1 . . . C 1935 ALA HA . 18169 2 1504 . 1 1 39 39 ALA HB1 H 1 1.384 0.003 . 1 . . . C 1935 ALA HB1 . 18169 2 1505 . 1 1 39 39 ALA HB2 H 1 1.384 0.003 . 1 . . . C 1935 ALA HB2 . 18169 2 1506 . 1 1 39 39 ALA HB3 H 1 1.384 0.003 . 1 . . . C 1935 ALA HB3 . 18169 2 stop_ save_