data_4089 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4089 _Entry.Title ; Peptide Deformylase Catalytic Core (Residues 1 - 147) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1997-12-31 _Entry.Accession_date 1997-12-31 _Entry.Last_release_date 1999-06-09 _Entry.Original_release_date 1999-06-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. MEINNEL . . . 4089 2 F. DARDEL . . . 4089 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4089 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 487 4089 '15N chemical shifts' 160 4089 '1H chemical shifts' 1110 4089 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 . . 1999-06-09 1997-12-31 original author . 4089 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4089 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98332750 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; DARDEL, F., RAGUSA, S., LAZENNEC, C., BLANQUET, S., and MEINNEL, T., "Solution Structure of Nickel-peptide Deformylase," J. Mol. Biol. 280, 501-513 (1998). ; _Citation.Title 'Solution Structure of Nickel-peptide Deformylase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 280 _Citation.Journal_issue . _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 501 _Citation.Page_last 513 _Citation.Year 1998 _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 F. DARDEL . . . 4089 1 2 S. RAGUSA . . . 4089 1 3 C. LAZENNEC . . . 4089 1 4 S. BLANQUET . . . 4089 1 5 T. MEINNEL . . . 4089 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID hydrolase 4089 1 metalloprotease 4089 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_peptide_deformylase _Assembly.Sf_category assembly _Assembly.Sf_framecode system_peptide_deformylase _Assembly.Entry_ID 4089 _Assembly.ID 1 _Assembly.Name 'peptide deformylase' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic yes _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.5.1.31 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4089 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'peptide deformylase' 1 $peptide_deformylase . . . native . . . . . 4089 1 2 Ni 2 $NI . . . native . . . . . 4089 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'peptide deformylase' abbreviation 4089 1 'peptide deformylase' system 4089 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_peptide_deformylase _Entity.Sf_category entity _Entity.Sf_framecode peptide_deformylase _Entity.Entry_ID 4089 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'peptide deformylase' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AVLQVLHIPDERLRKVAKPV EEVNAEIQRIVDDMFETMYA EEGIGLAATQVDIHQRIIVI DVSENRDERLVLINPELLEK SGETGIEEGCLSIPEQRALV PRAEKVKIRALDRDGKPFEL EADGLLAICIQHEMDHLVGK LFMDYLS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 1BS4 . "Peptide Deformylase As Zn2+ Containing Form (Native) In Complex With Inhibitor Polyethylene Glycol" . . . . . 100.00 168 99.32 100.00 2.15e-98 . . . . 4089 1 2 no PDB 1BS5 . "Peptide Deformylase As Zn2+ Containing Form" . . . . . 100.00 168 99.32 100.00 2.15e-98 . . . . 4089 1 3 no PDB 1BS6 . "Peptide Deformylase As Ni2+ Containing Form In Complex With Tripeptide Met-Ala-Ser" . . . . . 100.00 168 99.32 100.00 2.15e-98 . . . . 4089 1 4 no PDB 1BS7 . "Peptide Deformylase As Ni2+ Containing Form" . . . . . 100.00 168 99.32 100.00 2.15e-98 . . . . 4089 1 5 no PDB 1BS8 . "Peptide Deformylase As Zn2+ Containing Form In Complex With Tripeptide Met-Ala-Ser" . . . . . 100.00 168 99.32 100.00 2.15e-98 . . . . 4089 1 6 no PDB 1BSJ . "Cobalt Deformylase Inhibitor Complex From E.Coli" . . . . . 100.00 168 99.32 100.00 2.15e-98 . . . . 4089 1 7 no PDB 1BSK . "Zinc Deformylase Inhibitor Complex From E.Coli" . . . . . 100.00 168 99.32 100.00 2.15e-98 . . . . 4089 1 8 no PDB 1BSZ . "Peptide Deformylase As Fe2+ Containing Form (Native) In Complex With Inhibitor Polyethylene Glycol" . . . . . 100.00 168 99.32 100.00 2.15e-98 . . . . 4089 1 9 no PDB 1DEF . "Peptide Deformylase Catalytic Core (Residues 1-147), Nmr, 9 Structures" . . . . . 100.00 147 99.32 100.00 3.23e-98 . . . . 4089 1 10 no PDB 1DFF . "Peptide Deformylase" . . . . . 100.00 164 99.32 100.00 2.31e-98 . . . . 4089 1 11 no PDB 1G27 . "Crystal Structure Of E.Coli Polypeptide Deformylase Complexed With The Inhibitor Bb-3497" . . . . . 100.00 168 99.32 100.00 2.15e-98 . . . . 4089 1 12 no PDB 1G2A . "The Crystal Structure Of E.Coli Peptide Deformylase Complexed With Actinonin" . . . . . 100.00 168 99.32 100.00 2.15e-98 . . . . 4089 1 13 no PDB 1ICJ . "Pdf Protein Is Crystallized As Ni2+ Containing Form, Cocrystallized With Inhibitor Polyethylene Glycol (Peg)" . . . . . 100.00 168 99.32 100.00 2.15e-98 . . . . 4089 1 14 no PDB 1LRU . "Crystal Structure Of E.Coli Peptide Deformylase Complexed With Antibiotic Actinonin" . . . . . 100.00 168 99.32 100.00 2.15e-98 . . . . 4089 1 15 no PDB 1XEM . "High Resolution Crystal Structure Of Escherichia Coli Zinc- Peptide Deformylase Bound To Formate" . . . . . 100.00 168 99.32 100.00 2.15e-98 . . . . 4089 1 16 no PDB 1XEN . "High Resolution Crystal Structure Of Escherichia Coli Iron- Peptide Deformylase Bound To Formate" . . . . . 100.00 168 99.32 100.00 2.15e-98 . . . . 4089 1 17 no PDB 1XEO . "High Resolution Crystals Structure Of Cobalt- Peptide Deformylase Bound To Formate" . . . . . 100.00 168 99.32 100.00 2.15e-98 . . . . 4089 1 18 no PDB 2AI8 . "E.Coli Polypeptide Deformylase Complexed With Sb-485343" . . . . . 100.00 168 99.32 100.00 2.15e-98 . . . . 4089 1 19 no PDB 2DEF . "Peptide Deformylase Catalytic Core (Residues 1-147), Nmr, 20 Structures" . . . . . 100.00 147 100.00 100.00 1.29e-98 . . . . 4089 1 20 no PDB 2KMN . "Solution Structure Of Peptide Deformylase Complexed With Actinonin" . . . . . 100.00 147 99.32 100.00 3.23e-98 . . . . 4089 1 21 no PDB 2W3T . "Chloro Complex Of The Ni-Form Of E.Coli Deformylase" . . . . . 100.00 188 99.32 100.00 2.58e-98 . . . . 4089 1 22 no PDB 2W3U . "Formate Complex Of The Ni-Form Of E.Coli Deformylase" . . . . . 100.00 188 99.32 100.00 2.58e-98 . . . . 4089 1 23 no PDB 3K6L . "The Structure Of E.Coli Peptide Deformylase (Pdf) In Complex With Peptidomimetic Ligand Bb2827" . . . . . 100.00 169 99.32 100.00 1.91e-98 . . . . 4089 1 24 no PDB 4AL2 . "Peptide Deformylase (Ni-Form) With Hydrosulfide" . . . . . 100.00 186 99.32 100.00 2.23e-98 . . . . 4089 1 25 no PDB 4AL3 . "Peptide Deformylase (Co-Form) With Mercaptoethanol" . . . . . 100.00 186 98.64 99.32 5.96e-97 . . . . 4089 1 26 no PDB 4AZ4 . "E.Coli Deformylase With Co(Ii) And Hydrosulfide" . . . . . 100.00 186 98.64 99.32 5.96e-97 . . . . 4089 1 27 no DBJ BAB37575 . "peptide deformylase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 169 99.32 100.00 1.91e-98 . . . . 4089 1 28 no DBJ BAE78005 . "peptide deformylase [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 169 99.32 100.00 1.91e-98 . . . . 4089 1 29 no DBJ BAG79085 . "polypeptide deformylase [Escherichia coli SE11]" . . . . . 100.00 169 99.32 100.00 1.91e-98 . . . . 4089 1 30 no DBJ BAH66202 . "N-formylmethionylaminoacyl-tRNA deformylase [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 169 97.96 99.32 1.60e-96 . . . . 4089 1 31 no DBJ BAI27558 . "peptide deformylase [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 169 98.64 100.00 8.60e-98 . . . . 4089 1 32 no EMBL CAA11508 . "hypothetical protein [Escherichia coli]" . . . . . 88.44 149 97.69 98.46 2.48e-80 . . . . 4089 1 33 no EMBL CAA45206 . "fms [Escherichia coli K-12]" . . . . . 100.00 169 99.32 100.00 1.91e-98 . . . . 4089 1 34 no EMBL CAA54367 . "N-formylmethionylaminoacyl-tRNA deformylase [Escherichia coli K-12]" . . . . . 100.00 169 99.32 100.00 1.91e-98 . . . . 4089 1 35 no EMBL CAA54826 . "deformylase [Escherichia coli]" . . . . . 100.00 169 99.32 100.00 1.91e-98 . . . . 4089 1 36 no EMBL CAD09179 . "polypeptide deformylase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 169 97.28 99.32 2.48e-96 . . . . 4089 1 37 no GB AAA58084 . "N-formylmethionylaminoacyl-tRNA deformylase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 169 99.32 100.00 1.91e-98 . . . . 4089 1 38 no GB AAC76312 . "peptide deformylase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 169 99.32 100.00 1.91e-98 . . . . 4089 1 39 no GB AAF76758 . "unknown [Escherichia coli]" . . . . . 88.44 150 98.46 100.00 4.25e-83 . . . . 4089 1 40 no GB AAG58408 . "peptide deformylase [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 169 99.32 100.00 1.91e-98 . . . . 4089 1 41 no GB AAL22269 . "peptide deformylase [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 169 97.96 99.32 6.07e-97 . . . . 4089 1 42 no PIR AB1010 . "formylmethionine deformylase (EC 3.5.1.31) - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 169 97.28 99.32 2.48e-96 . . . . 4089 1 43 no REF NP_312179 . "peptide deformylase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 169 99.32 100.00 1.91e-98 . . . . 4089 1 44 no REF NP_417745 . "peptide deformylase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 169 99.32 100.00 1.91e-98 . . . . 4089 1 45 no REF NP_458493 . "polypeptide deformylase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 169 97.28 99.32 2.48e-96 . . . . 4089 1 46 no REF NP_462310 . "peptide deformylase [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 169 97.96 99.32 6.07e-97 . . . . 4089 1 47 no REF NP_709074 . "peptide deformylase [Shigella flexneri 2a str. 301]" . . . . . 100.00 169 98.64 100.00 8.60e-98 . . . . 4089 1 48 no SP A1AGH8 . "RecName: Full=Peptide deformylase; Short=PDF; AltName: Full=Polypeptide deformylase" . . . . . 100.00 169 99.32 100.00 1.91e-98 . . . . 4089 1 49 no SP A8A591 . "RecName: Full=Peptide deformylase; Short=PDF; AltName: Full=Polypeptide deformylase" . . . . . 100.00 169 99.32 100.00 1.91e-98 . . . . 4089 1 50 no SP A8AQI1 . "RecName: Full=Peptide deformylase; Short=PDF; AltName: Full=Polypeptide deformylase" . . . . . 100.00 169 98.64 99.32 5.21e-97 . . . . 4089 1 51 no SP A9MN80 . "RecName: Full=Peptide deformylase; Short=PDF; AltName: Full=Polypeptide deformylase" . . . . . 100.00 169 97.28 99.32 2.48e-96 . . . . 4089 1 52 no SP A9N8B1 . "RecName: Full=Peptide deformylase; Short=PDF; AltName: Full=Polypeptide deformylase" . . . . . 100.00 169 97.96 99.32 6.07e-97 . . . . 4089 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'peptide deformylase' common 4089 1 'S 1 A' variant 4089 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 4089 1 2 2 VAL . 4089 1 3 3 LEU . 4089 1 4 4 GLN . 4089 1 5 5 VAL . 4089 1 6 6 LEU . 4089 1 7 7 HIS . 4089 1 8 8 ILE . 4089 1 9 9 PRO . 4089 1 10 10 ASP . 4089 1 11 11 GLU . 4089 1 12 12 ARG . 4089 1 13 13 LEU . 4089 1 14 14 ARG . 4089 1 15 15 LYS . 4089 1 16 16 VAL . 4089 1 17 17 ALA . 4089 1 18 18 LYS . 4089 1 19 19 PRO . 4089 1 20 20 VAL . 4089 1 21 21 GLU . 4089 1 22 22 GLU . 4089 1 23 23 VAL . 4089 1 24 24 ASN . 4089 1 25 25 ALA . 4089 1 26 26 GLU . 4089 1 27 27 ILE . 4089 1 28 28 GLN . 4089 1 29 29 ARG . 4089 1 30 30 ILE . 4089 1 31 31 VAL . 4089 1 32 32 ASP . 4089 1 33 33 ASP . 4089 1 34 34 MET . 4089 1 35 35 PHE . 4089 1 36 36 GLU . 4089 1 37 37 THR . 4089 1 38 38 MET . 4089 1 39 39 TYR . 4089 1 40 40 ALA . 4089 1 41 41 GLU . 4089 1 42 42 GLU . 4089 1 43 43 GLY . 4089 1 44 44 ILE . 4089 1 45 45 GLY . 4089 1 46 46 LEU . 4089 1 47 47 ALA . 4089 1 48 48 ALA . 4089 1 49 49 THR . 4089 1 50 50 GLN . 4089 1 51 51 VAL . 4089 1 52 52 ASP . 4089 1 53 53 ILE . 4089 1 54 54 HIS . 4089 1 55 55 GLN . 4089 1 56 56 ARG . 4089 1 57 57 ILE . 4089 1 58 58 ILE . 4089 1 59 59 VAL . 4089 1 60 60 ILE . 4089 1 61 61 ASP . 4089 1 62 62 VAL . 4089 1 63 63 SER . 4089 1 64 64 GLU . 4089 1 65 65 ASN . 4089 1 66 66 ARG . 4089 1 67 67 ASP . 4089 1 68 68 GLU . 4089 1 69 69 ARG . 4089 1 70 70 LEU . 4089 1 71 71 VAL . 4089 1 72 72 LEU . 4089 1 73 73 ILE . 4089 1 74 74 ASN . 4089 1 75 75 PRO . 4089 1 76 76 GLU . 4089 1 77 77 LEU . 4089 1 78 78 LEU . 4089 1 79 79 GLU . 4089 1 80 80 LYS . 4089 1 81 81 SER . 4089 1 82 82 GLY . 4089 1 83 83 GLU . 4089 1 84 84 THR . 4089 1 85 85 GLY . 4089 1 86 86 ILE . 4089 1 87 87 GLU . 4089 1 88 88 GLU . 4089 1 89 89 GLY . 4089 1 90 90 CYS . 4089 1 91 91 LEU . 4089 1 92 92 SER . 4089 1 93 93 ILE . 4089 1 94 94 PRO . 4089 1 95 95 GLU . 4089 1 96 96 GLN . 4089 1 97 97 ARG . 4089 1 98 98 ALA . 4089 1 99 99 LEU . 4089 1 100 100 VAL . 4089 1 101 101 PRO . 4089 1 102 102 ARG . 4089 1 103 103 ALA . 4089 1 104 104 GLU . 4089 1 105 105 LYS . 4089 1 106 106 VAL . 4089 1 107 107 LYS . 4089 1 108 108 ILE . 4089 1 109 109 ARG . 4089 1 110 110 ALA . 4089 1 111 111 LEU . 4089 1 112 112 ASP . 4089 1 113 113 ARG . 4089 1 114 114 ASP . 4089 1 115 115 GLY . 4089 1 116 116 LYS . 4089 1 117 117 PRO . 4089 1 118 118 PHE . 4089 1 119 119 GLU . 4089 1 120 120 LEU . 4089 1 121 121 GLU . 4089 1 122 122 ALA . 4089 1 123 123 ASP . 4089 1 124 124 GLY . 4089 1 125 125 LEU . 4089 1 126 126 LEU . 4089 1 127 127 ALA . 4089 1 128 128 ILE . 4089 1 129 129 CYS . 4089 1 130 130 ILE . 4089 1 131 131 GLN . 4089 1 132 132 HIS . 4089 1 133 133 GLU . 4089 1 134 134 MET . 4089 1 135 135 ASP . 4089 1 136 136 HIS . 4089 1 137 137 LEU . 4089 1 138 138 VAL . 4089 1 139 139 GLY . 4089 1 140 140 LYS . 4089 1 141 141 LEU . 4089 1 142 142 PHE . 4089 1 143 143 MET . 4089 1 144 144 ASP . 4089 1 145 145 TYR . 4089 1 146 146 LEU . 4089 1 147 147 SER . 4089 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 . ALA 1 1 4089 1 . VAL 2 2 4089 1 . LEU 3 3 4089 1 . GLN 4 4 4089 1 . VAL 5 5 4089 1 . LEU 6 6 4089 1 . HIS 7 7 4089 1 . ILE 8 8 4089 1 . PRO 9 9 4089 1 . ASP 10 10 4089 1 . GLU 11 11 4089 1 . ARG 12 12 4089 1 . LEU 13 13 4089 1 . ARG 14 14 4089 1 . LYS 15 15 4089 1 . VAL 16 16 4089 1 . ALA 17 17 4089 1 . LYS 18 18 4089 1 . PRO 19 19 4089 1 . VAL 20 20 4089 1 . GLU 21 21 4089 1 . GLU 22 22 4089 1 . VAL 23 23 4089 1 . ASN 24 24 4089 1 . ALA 25 25 4089 1 . GLU 26 26 4089 1 . ILE 27 27 4089 1 . GLN 28 28 4089 1 . ARG 29 29 4089 1 . ILE 30 30 4089 1 . VAL 31 31 4089 1 . ASP 32 32 4089 1 . ASP 33 33 4089 1 . MET 34 34 4089 1 . PHE 35 35 4089 1 . GLU 36 36 4089 1 . THR 37 37 4089 1 . MET 38 38 4089 1 . TYR 39 39 4089 1 . ALA 40 40 4089 1 . GLU 41 41 4089 1 . GLU 42 42 4089 1 . GLY 43 43 4089 1 . ILE 44 44 4089 1 . GLY 45 45 4089 1 . LEU 46 46 4089 1 . ALA 47 47 4089 1 . ALA 48 48 4089 1 . THR 49 49 4089 1 . GLN 50 50 4089 1 . VAL 51 51 4089 1 . ASP 52 52 4089 1 . ILE 53 53 4089 1 . HIS 54 54 4089 1 . GLN 55 55 4089 1 . ARG 56 56 4089 1 . ILE 57 57 4089 1 . ILE 58 58 4089 1 . VAL 59 59 4089 1 . ILE 60 60 4089 1 . ASP 61 61 4089 1 . VAL 62 62 4089 1 . SER 63 63 4089 1 . GLU 64 64 4089 1 . ASN 65 65 4089 1 . ARG 66 66 4089 1 . ASP 67 67 4089 1 . GLU 68 68 4089 1 . ARG 69 69 4089 1 . LEU 70 70 4089 1 . VAL 71 71 4089 1 . LEU 72 72 4089 1 . ILE 73 73 4089 1 . ASN 74 74 4089 1 . PRO 75 75 4089 1 . GLU 76 76 4089 1 . LEU 77 77 4089 1 . LEU 78 78 4089 1 . GLU 79 79 4089 1 . LYS 80 80 4089 1 . SER 81 81 4089 1 . GLY 82 82 4089 1 . GLU 83 83 4089 1 . THR 84 84 4089 1 . GLY 85 85 4089 1 . ILE 86 86 4089 1 . GLU 87 87 4089 1 . GLU 88 88 4089 1 . GLY 89 89 4089 1 . CYS 90 90 4089 1 . LEU 91 91 4089 1 . SER 92 92 4089 1 . ILE 93 93 4089 1 . PRO 94 94 4089 1 . GLU 95 95 4089 1 . GLN 96 96 4089 1 . ARG 97 97 4089 1 . ALA 98 98 4089 1 . LEU 99 99 4089 1 . VAL 100 100 4089 1 . PRO 101 101 4089 1 . ARG 102 102 4089 1 . ALA 103 103 4089 1 . GLU 104 104 4089 1 . LYS 105 105 4089 1 . VAL 106 106 4089 1 . LYS 107 107 4089 1 . ILE 108 108 4089 1 . ARG 109 109 4089 1 . ALA 110 110 4089 1 . LEU 111 111 4089 1 . ASP 112 112 4089 1 . ARG 113 113 4089 1 . ASP 114 114 4089 1 . GLY 115 115 4089 1 . LYS 116 116 4089 1 . PRO 117 117 4089 1 . PHE 118 118 4089 1 . GLU 119 119 4089 1 . LEU 120 120 4089 1 . GLU 121 121 4089 1 . ALA 122 122 4089 1 . ASP 123 123 4089 1 . GLY 124 124 4089 1 . LEU 125 125 4089 1 . LEU 126 126 4089 1 . ALA 127 127 4089 1 . ILE 128 128 4089 1 . CYS 129 129 4089 1 . ILE 130 130 4089 1 . GLN 131 131 4089 1 . HIS 132 132 4089 1 . GLU 133 133 4089 1 . MET 134 134 4089 1 . ASP 135 135 4089 1 . HIS 136 136 4089 1 . LEU 137 137 4089 1 . VAL 138 138 4089 1 . GLY 139 139 4089 1 . LYS 140 140 4089 1 . LEU 141 141 4089 1 . PHE 142 142 4089 1 . MET 143 143 4089 1 . ASP 144 144 4089 1 . TYR 145 145 4089 1 . LEU 146 146 4089 1 . SER 147 147 4089 1 stop_ save_ save_NI _Entity.Sf_category entity _Entity.Sf_framecode NI _Entity.Entry_ID 4089 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name NI _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 NI _Entity.Nonpolymer_comp_label $chem_comp_NI _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . NI . 4089 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4089 _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 $peptide_deformylase . 562 organism . 'ESCHERICHIA COLI' . . . Bacteria . ESCHERICHIA COLI PAL421TR . . . . . . . . . . . . . PTDEF-DELTA . 'FMS (CODONS 1-147)' . ; PTDEF-DELTA WAS OBTAINED BY TRANSFER OF THE FMS GENE INTO PTRC99A. THIS HAS RESULTED IN THE MODIFICATION OF S-1 INTO A-1, WITHOUT ANY DETECTABLE EFFECTS ON THE CATALYTIC PROPERTIES ; . . 4089 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 4089 _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 $peptide_deformylase . 'recombinant technology' 'PUC18 (IPTG-INDUCIBLE LAC PROMOTURCE 5 EXPRESSION_SYSTEM_PLASMID: PDEF-EC1-147' 'PUC18 (IPTG-INDUCIBLE LAC PROMOTURCE 5 EXPRESSION_SYSTEM_PLASMID: PDEF-EC1-147' . . 'PUC18 (IPTG-INDUCIBLE LAC PROMOTURCE 5 EXPRESSION_SYSTEM_PLASMID: PDEF-EC1-147' . . . . . . . . . . . . . . . . . . . . . . . . 4089 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NI _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NI _Chem_comp.Entry_ID 4089 _Chem_comp.ID NI _Chem_comp.Provenance . _Chem_comp.Name 'NICKEL (II) ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code NI _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 NI _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 Ni _Chem_comp.Formula_weight 58.693 _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 Wed Feb 15 15:20:30 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 InChI=1S/Ni/q+2 InChI InChI 1.03 4089 NI [Ni++] SMILES CACTVS 3.341 4089 NI [Ni++] SMILES_CANONICAL CACTVS 3.341 4089 NI [Ni+2] SMILES ACDLabs 10.04 4089 NI [Ni+2] SMILES 'OpenEye OEToolkits' 1.5.0 4089 NI [Ni+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4089 NI VEQPNABPJHWNSG-UHFFFAOYSA-N InChIKey InChI 1.03 4089 NI 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 nickel(2+) 'SYSTEMATIC NAME' ACDLabs 10.04 4089 NI 'nickel(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4089 NI 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 NI . NI . . NI . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4089 NI stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4089 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'dummy saveframe for use in entries where relevant information is missing' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'data not available' . . . . . . . . . . . . . . . 4089 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4089 _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' 20 . mM 4089 1 pH 7.2 . na 4089 1 pressure 1 . atm 4089 1 temperature 318 . K 4089 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4089 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4089 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4089 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one Bruker AMX . 600 . . . 4089 1 2 NMR_spectrometer_two Bruker DRX . 600 . . . 4089 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 4089 _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 NOESY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4089 1 2 DQF-COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4089 1 3 CT-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4089 1 4 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4089 1 5 NOESY-HMQC . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4089 1 6 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4089 1 7 HMBC-HSQC,HNHB . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4089 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_ref _Chem_shift_reference.Entry_ID 4089 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4089 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_ref _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4089 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 3.92 0.01 . 1 . . . . . . . . 4089 1 2 . 1 1 1 1 ALA HB1 H 1 1.25 0.01 . 1 . . . . . . . . 4089 1 3 . 1 1 1 1 ALA HB2 H 1 1.25 0.01 . 1 . . . . . . . . 4089 1 4 . 1 1 1 1 ALA HB3 H 1 1.25 0.01 . 1 . . . . . . . . 4089 1 5 . 1 1 1 1 ALA CA C 13 51.3 0.3 . 1 . . . . . . . . 4089 1 6 . 1 1 1 1 ALA CB C 13 19.7 0.3 . 1 . . . . . . . . 4089 1 7 . 1 1 2 2 VAL H H 1 8.09 0.01 . 1 . . . . . . . . 4089 1 8 . 1 1 2 2 VAL HA H 1 4.02 0.01 . 1 . . . . . . . . 4089 1 9 . 1 1 2 2 VAL HB H 1 1.89 0.01 . 1 . . . . . . . . 4089 1 10 . 1 1 2 2 VAL HG11 H 1 0.93 0.01 . 2 . . . . . . . . 4089 1 11 . 1 1 2 2 VAL HG12 H 1 0.93 0.01 . 2 . . . . . . . . 4089 1 12 . 1 1 2 2 VAL HG13 H 1 0.93 0.01 . 2 . . . . . . . . 4089 1 13 . 1 1 2 2 VAL HG21 H 1 0.95 0.01 . 2 . . . . . . . . 4089 1 14 . 1 1 2 2 VAL HG22 H 1 0.95 0.01 . 2 . . . . . . . . 4089 1 15 . 1 1 2 2 VAL HG23 H 1 0.95 0.01 . 2 . . . . . . . . 4089 1 16 . 1 1 2 2 VAL CA C 13 62.3 0.3 . 1 . . . . . . . . 4089 1 17 . 1 1 2 2 VAL CB C 13 32.1 0.3 . 1 . . . . . . . . 4089 1 18 . 1 1 2 2 VAL CG1 C 13 21.9 0.3 . 2 . . . . . . . . 4089 1 19 . 1 1 2 2 VAL CG2 C 13 21.5 0.3 . 2 . . . . . . . . 4089 1 20 . 1 1 2 2 VAL N N 15 117.8 0.2 . 1 . . . . . . . . 4089 1 21 . 1 1 3 3 LEU H H 1 8.65 0.01 . 1 . . . . . . . . 4089 1 22 . 1 1 3 3 LEU HA H 1 4.42 0.01 . 1 . . . . . . . . 4089 1 23 . 1 1 3 3 LEU HB2 H 1 1.57 0.01 . 1 . . . . . . . . 4089 1 24 . 1 1 3 3 LEU HB3 H 1 1.50 0.01 . 1 . . . . . . . . 4089 1 25 . 1 1 3 3 LEU HG H 1 1.48 0.01 . 1 . . . . . . . . 4089 1 26 . 1 1 3 3 LEU HD11 H 1 0.78 0.01 . 1 . . . . . . . . 4089 1 27 . 1 1 3 3 LEU HD12 H 1 0.78 0.01 . 1 . . . . . . . . 4089 1 28 . 1 1 3 3 LEU HD13 H 1 0.78 0.01 . 1 . . . . . . . . 4089 1 29 . 1 1 3 3 LEU HD21 H 1 0.76 0.01 . 1 . . . . . . . . 4089 1 30 . 1 1 3 3 LEU HD22 H 1 0.76 0.01 . 1 . . . . . . . . 4089 1 31 . 1 1 3 3 LEU HD23 H 1 0.76 0.01 . 1 . . . . . . . . 4089 1 32 . 1 1 3 3 LEU CA C 13 53.1 0.3 . 1 . . . . . . . . 4089 1 33 . 1 1 3 3 LEU CB C 13 42.4 0.3 . 1 . . . . . . . . 4089 1 34 . 1 1 3 3 LEU CG C 13 26.8 0.3 . 1 . . . . . . . . 4089 1 35 . 1 1 3 3 LEU CD1 C 13 25.4 0.3 . 1 . . . . . . . . 4089 1 36 . 1 1 3 3 LEU CD2 C 13 21.5 0.3 . 1 . . . . . . . . 4089 1 37 . 1 1 3 3 LEU N N 15 127.1 0.2 . 1 . . . . . . . . 4089 1 38 . 1 1 4 4 GLN H H 1 8.05 0.01 . 1 . . . . . . . . 4089 1 39 . 1 1 4 4 GLN HA H 1 4.10 0.01 . 1 . . . . . . . . 4089 1 40 . 1 1 4 4 GLN HB2 H 1 1.90 0.01 . 1 . . . . . . . . 4089 1 41 . 1 1 4 4 GLN HB3 H 1 1.90 0.01 . 1 . . . . . . . . 4089 1 42 . 1 1 4 4 GLN HG2 H 1 2.16 0.01 . 2 . . . . . . . . 4089 1 43 . 1 1 4 4 GLN HG3 H 1 2.25 0.01 . 2 . . . . . . . . 4089 1 44 . 1 1 4 4 GLN HE21 H 1 6.74 0.01 . 2 . . . . . . . . 4089 1 45 . 1 1 4 4 GLN HE22 H 1 7.54 0.01 . 2 . . . . . . . . 4089 1 46 . 1 1 4 4 GLN CA C 13 55.9 0.3 . 1 . . . . . . . . 4089 1 47 . 1 1 4 4 GLN CB C 13 28.6 0.3 . 1 . . . . . . . . 4089 1 48 . 1 1 4 4 GLN CG C 13 33.9 0.3 . 1 . . . . . . . . 4089 1 49 . 1 1 4 4 GLN N N 15 116.2 0.2 . 1 . . . . . . . . 4089 1 50 . 1 1 4 4 GLN NE2 N 15 109.8 0.2 . 1 . . . . . . . . 4089 1 51 . 1 1 5 5 VAL H H 1 8.09 0.01 . 1 . . . . . . . . 4089 1 52 . 1 1 5 5 VAL HA H 1 4.11 0.01 . 1 . . . . . . . . 4089 1 53 . 1 1 5 5 VAL HB H 1 1.88 0.01 . 1 . . . . . . . . 4089 1 54 . 1 1 5 5 VAL HG11 H 1 0.75 0.01 . 1 . . . . . . . . 4089 1 55 . 1 1 5 5 VAL HG12 H 1 0.75 0.01 . 1 . . . . . . . . 4089 1 56 . 1 1 5 5 VAL HG13 H 1 0.75 0.01 . 1 . . . . . . . . 4089 1 57 . 1 1 5 5 VAL HG21 H 1 0.70 0.01 . 1 . . . . . . . . 4089 1 58 . 1 1 5 5 VAL HG22 H 1 0.70 0.01 . 1 . . . . . . . . 4089 1 59 . 1 1 5 5 VAL HG23 H 1 0.70 0.01 . 1 . . . . . . . . 4089 1 60 . 1 1 5 5 VAL CA C 13 61.6 0.3 . 1 . . . . . . . . 4089 1 61 . 1 1 5 5 VAL CB C 13 28.9 0.3 . 1 . . . . . . . . 4089 1 62 . 1 1 5 5 VAL CG1 C 13 21.9 0.3 . 1 . . . . . . . . 4089 1 63 . 1 1 5 5 VAL CG2 C 13 22.6 0.3 . 1 . . . . . . . . 4089 1 64 . 1 1 5 5 VAL N N 15 124.4 0.2 . 1 . . . . . . . . 4089 1 65 . 1 1 6 6 LEU H H 1 9.02 0.01 . 1 . . . . . . . . 4089 1 66 . 1 1 6 6 LEU HA H 1 4.21 0.01 . 1 . . . . . . . . 4089 1 67 . 1 1 6 6 LEU HB2 H 1 1.68 0.01 . 1 . . . . . . . . 4089 1 68 . 1 1 6 6 LEU HB3 H 1 1.11 0.01 . 1 . . . . . . . . 4089 1 69 . 1 1 6 6 LEU HG H 1 1.68 0.01 . 1 . . . . . . . . 4089 1 70 . 1 1 6 6 LEU HD11 H 1 0.71 0.01 . 1 . . . . . . . . 4089 1 71 . 1 1 6 6 LEU HD12 H 1 0.71 0.01 . 1 . . . . . . . . 4089 1 72 . 1 1 6 6 LEU HD13 H 1 0.71 0.01 . 1 . . . . . . . . 4089 1 73 . 1 1 6 6 LEU HD21 H 1 0.79 0.01 . 1 . . . . . . . . 4089 1 74 . 1 1 6 6 LEU HD22 H 1 0.79 0.01 . 1 . . . . . . . . 4089 1 75 . 1 1 6 6 LEU HD23 H 1 0.79 0.01 . 1 . . . . . . . . 4089 1 76 . 1 1 6 6 LEU CA C 13 54.5 0.3 . 1 . . . . . . . . 4089 1 77 . 1 1 6 6 LEU CB C 13 42.8 0.3 . 1 . . . . . . . . 4089 1 78 . 1 1 6 6 LEU CG C 13 44.2 0.3 . 1 . . . . . . . . 4089 1 79 . 1 1 6 6 LEU CD1 C 13 22.6 0.3 . 1 . . . . . . . . 4089 1 80 . 1 1 6 6 LEU CD2 C 13 26.5 0.3 . 1 . . . . . . . . 4089 1 81 . 1 1 6 6 LEU N N 15 124.3 0.2 . 1 . . . . . . . . 4089 1 82 . 1 1 7 7 HIS H H 1 8.75 0.01 . 1 . . . . . . . . 4089 1 83 . 1 1 7 7 HIS HA H 1 5.74 0.01 . 1 . . . . . . . . 4089 1 84 . 1 1 7 7 HIS HB2 H 1 3.04 0.01 . 1 . . . . . . . . 4089 1 85 . 1 1 7 7 HIS HB3 H 1 3.27 0.01 . 1 . . . . . . . . 4089 1 86 . 1 1 7 7 HIS HD2 H 1 7.23 0.01 . 1 . . . . . . . . 4089 1 87 . 1 1 7 7 HIS HE1 H 1 8.27 0.01 . 1 . . . . . . . . 4089 1 88 . 1 1 7 7 HIS CA C 13 52.4 0.2 . 1 . . . . . . . . 4089 1 89 . 1 1 7 7 HIS CB C 13 33.2 0.2 . 1 . . . . . . . . 4089 1 90 . 1 1 7 7 HIS N N 15 116.6 0.2 . 1 . . . . . . . . 4089 1 91 . 1 1 7 7 HIS ND1 N 15 197.0 1.0 . 1 . . . . . . . . 4089 1 92 . 1 1 7 7 HIS NE2 N 15 172.0 1.0 . 1 . . . . . . . . 4089 1 93 . 1 1 8 8 ILE H H 1 8.24 0.01 . 1 . . . . . . . . 4089 1 94 . 1 1 8 8 ILE HA H 1 4.26 0.01 . 1 . . . . . . . . 4089 1 95 . 1 1 8 8 ILE HB H 1 1.83 0.01 . 1 . . . . . . . . 4089 1 96 . 1 1 8 8 ILE HG12 H 1 1.34 0.01 . 2 . . . . . . . . 4089 1 97 . 1 1 8 8 ILE HG13 H 1 1.63 0.01 . 2 . . . . . . . . 4089 1 98 . 1 1 8 8 ILE HG21 H 1 1.02 0.01 . 1 . . . . . . . . 4089 1 99 . 1 1 8 8 ILE HG22 H 1 1.02 0.01 . 1 . . . . . . . . 4089 1 100 . 1 1 8 8 ILE HG23 H 1 1.02 0.01 . 1 . . . . . . . . 4089 1 101 . 1 1 8 8 ILE HD11 H 1 0.88 0.01 . 1 . . . . . . . . 4089 1 102 . 1 1 8 8 ILE HD12 H 1 0.88 0.01 . 1 . . . . . . . . 4089 1 103 . 1 1 8 8 ILE HD13 H 1 0.88 0.01 . 1 . . . . . . . . 4089 1 104 . 1 1 8 8 ILE CA C 13 60.5 0.3 . 1 . . . . . . . . 4089 1 105 . 1 1 8 8 ILE CB C 13 38.5 0.3 . 1 . . . . . . . . 4089 1 106 . 1 1 8 8 ILE CG1 C 13 25.8 0.3 . 1 . . . . . . . . 4089 1 107 . 1 1 8 8 ILE CG2 C 13 19.7 0.3 . 1 . . . . . . . . 4089 1 108 . 1 1 8 8 ILE CD1 C 13 14.8 0.3 . 1 . . . . . . . . 4089 1 109 . 1 1 8 8 ILE N N 15 114.8 0.3 . 1 . . . . . . . . 4089 1 110 . 1 1 9 9 PRO HA H 1 4.61 0.01 . 1 . . . . . . . . 4089 1 111 . 1 1 9 9 PRO HB2 H 1 2.00 0.01 . 1 . . . . . . . . 4089 1 112 . 1 1 9 9 PRO HB3 H 1 2.44 0.01 . 1 . . . . . . . . 4089 1 113 . 1 1 9 9 PRO HG2 H 1 1.82 0.01 . 2 . . . . . . . . 4089 1 114 . 1 1 9 9 PRO HG3 H 1 1.98 0.01 . 2 . . . . . . . . 4089 1 115 . 1 1 9 9 PRO HD2 H 1 3.57 0.01 . 2 . . . . . . . . 4089 1 116 . 1 1 9 9 PRO HD3 H 1 3.62 0.01 . 2 . . . . . . . . 4089 1 117 . 1 1 9 9 PRO CA C 13 63.0 0.3 . 1 . . . . . . . . 4089 1 118 . 1 1 9 9 PRO CB C 13 32.5 0.3 . 1 . . . . . . . . 4089 1 119 . 1 1 9 9 PRO CG C 13 24.0 0.3 . 1 . . . . . . . . 4089 1 120 . 1 1 9 9 PRO CD C 13 49.5 0.3 . 1 . . . . . . . . 4089 1 121 . 1 1 10 10 ASP HA H 1 4.36 0.01 . 1 . . . . . . . . 4089 1 122 . 1 1 10 10 ASP HB2 H 1 2.59 0.01 . 2 . . . . . . . . 4089 1 123 . 1 1 10 10 ASP HB3 H 1 2.98 0.01 . 2 . . . . . . . . 4089 1 124 . 1 1 10 10 ASP CA C 13 56.3 0.3 . 1 . . . . . . . . 4089 1 125 . 1 1 10 10 ASP CB C 13 43.1 0.3 . 1 . . . . . . . . 4089 1 126 . 1 1 11 11 GLU HA H 1 4.06 0.01 . 1 . . . . . . . . 4089 1 127 . 1 1 11 11 GLU HB2 H 1 2.09 0.01 . 1 . . . . . . . . 4089 1 128 . 1 1 11 11 GLU HB3 H 1 2.09 0.01 . 1 . . . . . . . . 4089 1 129 . 1 1 11 11 GLU HG2 H 1 2.34 0.01 . 1 . . . . . . . . 4089 1 130 . 1 1 11 11 GLU HG3 H 1 2.34 0.01 . 1 . . . . . . . . 4089 1 131 . 1 1 11 11 GLU CA C 13 59.1 0.3 . 1 . . . . . . . . 4089 1 132 . 1 1 11 11 GLU CB C 13 29.3 0.3 . 1 . . . . . . . . 4089 1 133 . 1 1 11 11 GLU CG C 13 36.0 0.3 . 1 . . . . . . . . 4089 1 134 . 1 1 12 12 ARG H H 1 9.51 0.01 . 1 . . . . . . . . 4089 1 135 . 1 1 12 12 ARG HA H 1 3.83 0.01 . 1 . . . . . . . . 4089 1 136 . 1 1 12 12 ARG HB2 H 1 1.82 0.01 . 1 . . . . . . . . 4089 1 137 . 1 1 12 12 ARG HB3 H 1 1.92 0.01 . 1 . . . . . . . . 4089 1 138 . 1 1 12 12 ARG HG2 H 1 1.82 0.01 . 2 . . . . . . . . 4089 1 139 . 1 1 12 12 ARG HG3 H 1 1.75 0.01 . 2 . . . . . . . . 4089 1 140 . 1 1 12 12 ARG HD2 H 1 3.31 0.01 . 2 . . . . . . . . 4089 1 141 . 1 1 12 12 ARG HD3 H 1 3.56 0.01 . 2 . . . . . . . . 4089 1 142 . 1 1 12 12 ARG HE H 1 6.07 0.01 . 1 . . . . . . . . 4089 1 143 . 1 1 12 12 ARG HH11 H 1 8.10 0.01 . 4 . . . . . . . . 4089 1 144 . 1 1 12 12 ARG HH12 H 1 8.10 0.01 . 4 . . . . . . . . 4089 1 145 . 1 1 12 12 ARG HH21 H 1 8.65 0.01 . 4 . . . . . . . . 4089 1 146 . 1 1 12 12 ARG HH22 H 1 8.65 0.01 . 4 . . . . . . . . 4089 1 147 . 1 1 12 12 ARG CA C 13 59.4 0.3 . 1 . . . . . . . . 4089 1 148 . 1 1 12 12 ARG CB C 13 30.4 0.3 . 1 . . . . . . . . 4089 1 149 . 1 1 12 12 ARG CG C 13 27.5 0.3 . 1 . . . . . . . . 4089 1 150 . 1 1 12 12 ARG CD C 13 43.1 0.3 . 1 . . . . . . . . 4089 1 151 . 1 1 12 12 ARG N N 15 120.2 0.2 . 1 . . . . . . . . 4089 1 152 . 1 1 13 13 LEU H H 1 7.36 0.01 . 1 . . . . . . . . 4089 1 153 . 1 1 13 13 LEU HA H 1 4.08 0.01 . 1 . . . . . . . . 4089 1 154 . 1 1 13 13 LEU HB2 H 1 2.01 0.01 . 1 . . . . . . . . 4089 1 155 . 1 1 13 13 LEU HB3 H 1 1.49 0.01 . 1 . . . . . . . . 4089 1 156 . 1 1 13 13 LEU HG H 1 1.54 0.01 . 1 . . . . . . . . 4089 1 157 . 1 1 13 13 LEU HD11 H 1 0.90 0.01 . 1 . . . . . . . . 4089 1 158 . 1 1 13 13 LEU HD12 H 1 0.90 0.01 . 1 . . . . . . . . 4089 1 159 . 1 1 13 13 LEU HD13 H 1 0.90 0.01 . 1 . . . . . . . . 4089 1 160 . 1 1 13 13 LEU HD21 H 1 0.88 0.01 . 1 . . . . . . . . 4089 1 161 . 1 1 13 13 LEU HD22 H 1 0.88 0.01 . 1 . . . . . . . . 4089 1 162 . 1 1 13 13 LEU HD23 H 1 0.88 0.01 . 1 . . . . . . . . 4089 1 163 . 1 1 13 13 LEU CA C 13 55.9 0.3 . 1 . . . . . . . . 4089 1 164 . 1 1 13 13 LEU CB C 13 42.8 0.3 . 1 . . . . . . . . 4089 1 165 . 1 1 13 13 LEU CG C 13 27.9 0.3 . 1 . . . . . . . . 4089 1 166 . 1 1 13 13 LEU CD1 C 13 24.7 0.3 . 1 . . . . . . . . 4089 1 167 . 1 1 13 13 LEU CD2 C 13 26.5 0.3 . 1 . . . . . . . . 4089 1 168 . 1 1 13 13 LEU N N 15 110.7 0.2 . 1 . . . . . . . . 4089 1 169 . 1 1 14 14 ARG H H 1 7.46 0.01 . 1 . . . . . . . . 4089 1 170 . 1 1 14 14 ARG HA H 1 4.55 0.01 . 1 . . . . . . . . 4089 1 171 . 1 1 14 14 ARG HB2 H 1 1.94 0.01 . 1 . . . . . . . . 4089 1 172 . 1 1 14 14 ARG HB3 H 1 2.16 0.01 . 1 . . . . . . . . 4089 1 173 . 1 1 14 14 ARG HG2 H 1 1.53 0.01 . 2 . . . . . . . . 4089 1 174 . 1 1 14 14 ARG HG3 H 1 1.79 0.01 . 2 . . . . . . . . 4089 1 175 . 1 1 14 14 ARG HD2 H 1 3.00 0.01 . 2 . . . . . . . . 4089 1 176 . 1 1 14 14 ARG HD3 H 1 3.05 0.01 . 2 . . . . . . . . 4089 1 177 . 1 1 14 14 ARG CA C 13 53.8 0.3 . 1 . . . . . . . . 4089 1 178 . 1 1 14 14 ARG CB C 13 30.4 0.3 . 1 . . . . . . . . 4089 1 179 . 1 1 14 14 ARG CG C 13 26.1 0.3 . 1 . . . . . . . . 4089 1 180 . 1 1 14 14 ARG CD C 13 43.5 0.3 . 1 . . . . . . . . 4089 1 181 . 1 1 14 14 ARG N N 15 112.1 0.2 . 1 . . . . . . . . 4089 1 182 . 1 1 15 15 LYS H H 1 6.81 0.01 . 1 . . . . . . . . 4089 1 183 . 1 1 15 15 LYS HA H 1 3.96 0.01 . 1 . . . . . . . . 4089 1 184 . 1 1 15 15 LYS HB2 H 1 1.32 0.01 . 1 . . . . . . . . 4089 1 185 . 1 1 15 15 LYS HB3 H 1 1.44 0.01 . 1 . . . . . . . . 4089 1 186 . 1 1 15 15 LYS HG2 H 1 1.11 0.01 . 2 . . . . . . . . 4089 1 187 . 1 1 15 15 LYS HG3 H 1 1.32 0.01 . 2 . . . . . . . . 4089 1 188 . 1 1 15 15 LYS HD2 H 1 1.00 0.01 . 2 . . . . . . . . 4089 1 189 . 1 1 15 15 LYS HD3 H 1 1.20 0.01 . 2 . . . . . . . . 4089 1 190 . 1 1 15 15 LYS HE2 H 1 2.57 0.01 . 1 . . . . . . . . 4089 1 191 . 1 1 15 15 LYS HE3 H 1 2.57 0.01 . 1 . . . . . . . . 4089 1 192 . 1 1 15 15 LYS CA C 13 57.0 0.3 . 1 . . . . . . . . 4089 1 193 . 1 1 15 15 LYS CB C 13 32.8 0.3 . 1 . . . . . . . . 4089 1 194 . 1 1 15 15 LYS CG C 13 25.8 0.3 . 1 . . . . . . . . 4089 1 195 . 1 1 15 15 LYS CD C 13 28.6 0.3 . 1 . . . . . . . . 4089 1 196 . 1 1 15 15 LYS CE C 13 41.7 0.3 . 1 . . . . . . . . 4089 1 197 . 1 1 15 15 LYS N N 15 118.4 0.2 . 1 . . . . . . . . 4089 1 198 . 1 1 16 16 VAL H H 1 7.85 0.01 . 1 . . . . . . . . 4089 1 199 . 1 1 16 16 VAL HA H 1 3.93 0.01 . 1 . . . . . . . . 4089 1 200 . 1 1 16 16 VAL HB H 1 1.91 0.01 . 1 . . . . . . . . 4089 1 201 . 1 1 16 16 VAL HG11 H 1 0.88 0.01 . 1 . . . . . . . . 4089 1 202 . 1 1 16 16 VAL HG12 H 1 0.88 0.01 . 1 . . . . . . . . 4089 1 203 . 1 1 16 16 VAL HG13 H 1 0.88 0.01 . 1 . . . . . . . . 4089 1 204 . 1 1 16 16 VAL HG21 H 1 1.04 0.01 . 1 . . . . . . . . 4089 1 205 . 1 1 16 16 VAL HG22 H 1 1.04 0.01 . 1 . . . . . . . . 4089 1 206 . 1 1 16 16 VAL HG23 H 1 1.04 0.01 . 1 . . . . . . . . 4089 1 207 . 1 1 16 16 VAL CA C 13 62.3 0.3 . 1 . . . . . . . . 4089 1 208 . 1 1 16 16 VAL CB C 13 32.1 0.3 . 1 . . . . . . . . 4089 1 209 . 1 1 16 16 VAL CG1 C 13 21.5 0.3 . 1 . . . . . . . . 4089 1 210 . 1 1 16 16 VAL CG2 C 13 21.9 0.3 . 1 . . . . . . . . 4089 1 211 . 1 1 16 16 VAL N N 15 118.4 0.2 . 1 . . . . . . . . 4089 1 212 . 1 1 17 17 ALA H H 1 8.37 0.01 . 1 . . . . . . . . 4089 1 213 . 1 1 17 17 ALA HA H 1 4.07 0.01 . 1 . . . . . . . . 4089 1 214 . 1 1 17 17 ALA HB1 H 1 1.34 0.01 . 1 . . . . . . . . 4089 1 215 . 1 1 17 17 ALA HB2 H 1 1.34 0.01 . 1 . . . . . . . . 4089 1 216 . 1 1 17 17 ALA HB3 H 1 1.34 0.01 . 1 . . . . . . . . 4089 1 217 . 1 1 17 17 ALA CA C 13 52.4 0.3 . 1 . . . . . . . . 4089 1 218 . 1 1 17 17 ALA CB C 13 20.4 0.3 . 1 . . . . . . . . 4089 1 219 . 1 1 17 17 ALA N N 15 128.5 0.2 . 1 . . . . . . . . 4089 1 220 . 1 1 18 18 LYS H H 1 8.11 0.01 . 1 . . . . . . . . 4089 1 221 . 1 1 18 18 LYS HA H 1 4.82 0.01 . 1 . . . . . . . . 4089 1 222 . 1 1 18 18 LYS HB2 H 1 1.99 0.01 . 1 . . . . . . . . 4089 1 223 . 1 1 18 18 LYS HB3 H 1 1.90 0.01 . 1 . . . . . . . . 4089 1 224 . 1 1 18 18 LYS HG2 H 1 1.72 0.01 . 4 . . . . . . . . 4089 1 225 . 1 1 18 18 LYS HG3 H 1 1.72 0.01 . 4 . . . . . . . . 4089 1 226 . 1 1 18 18 LYS HD2 H 1 1.63 0.01 . 4 . . . . . . . . 4089 1 227 . 1 1 18 18 LYS HD3 H 1 1.63 0.01 . 4 . . . . . . . . 4089 1 228 . 1 1 18 18 LYS CA C 13 54.1 0.3 . 1 . . . . . . . . 4089 1 229 . 1 1 18 18 LYS CB C 13 32.5 0.3 . 1 . . . . . . . . 4089 1 230 . 1 1 18 18 LYS CG C 13 24.3 0.3 . 4 . . . . . . . . 4089 1 231 . 1 1 18 18 LYS N N 15 120.6 0.2 . 1 . . . . . . . . 4089 1 232 . 1 1 19 19 PRO HA H 1 4.32 0.01 . 1 . . . . . . . . 4089 1 233 . 1 1 19 19 PRO HB2 H 1 1.78 0.01 . 1 . . . . . . . . 4089 1 234 . 1 1 19 19 PRO HB3 H 1 2.18 0.01 . 1 . . . . . . . . 4089 1 235 . 1 1 19 19 PRO HG2 H 1 1.90 0.01 . 2 . . . . . . . . 4089 1 236 . 1 1 19 19 PRO HG3 H 1 2.12 0.01 . 2 . . . . . . . . 4089 1 237 . 1 1 19 19 PRO HD2 H 1 3.87 0.01 . 1 . . . . . . . . 4089 1 238 . 1 1 19 19 PRO HD3 H 1 3.66 0.01 . 1 . . . . . . . . 4089 1 239 . 1 1 19 19 PRO CA C 13 63.0 0.3 . 1 . . . . . . . . 4089 1 240 . 1 1 19 19 PRO CB C 13 31.4 0.3 . 1 . . . . . . . . 4089 1 241 . 1 1 19 19 PRO CG C 13 27.9 0.3 . 1 . . . . . . . . 4089 1 242 . 1 1 19 19 PRO CD C 13 50.6 0.3 . 1 . . . . . . . . 4089 1 243 . 1 1 20 20 VAL H H 1 10.12 0.01 . 1 . . . . . . . . 4089 1 244 . 1 1 20 20 VAL HA H 1 3.98 0.01 . 1 . . . . . . . . 4089 1 245 . 1 1 20 20 VAL HB H 1 1.78 0.01 . 1 . . . . . . . . 4089 1 246 . 1 1 20 20 VAL HG11 H 1 1.00 0.01 . 1 . . . . . . . . 4089 1 247 . 1 1 20 20 VAL HG12 H 1 1.00 0.01 . 1 . . . . . . . . 4089 1 248 . 1 1 20 20 VAL HG13 H 1 1.00 0.01 . 1 . . . . . . . . 4089 1 249 . 1 1 20 20 VAL HG21 H 1 0.74 0.01 . 1 . . . . . . . . 4089 1 250 . 1 1 20 20 VAL HG22 H 1 0.74 0.01 . 1 . . . . . . . . 4089 1 251 . 1 1 20 20 VAL HG23 H 1 0.74 0.01 . 1 . . . . . . . . 4089 1 252 . 1 1 20 20 VAL CA C 13 62.6 0.3 . 1 . . . . . . . . 4089 1 253 . 1 1 20 20 VAL CB C 13 31.8 0.3 . 1 . . . . . . . . 4089 1 254 . 1 1 20 20 VAL CG1 C 13 23.3 0.3 . 1 . . . . . . . . 4089 1 255 . 1 1 20 20 VAL CG2 C 13 22.6 0.3 . 1 . . . . . . . . 4089 1 256 . 1 1 20 20 VAL N N 15 123.5 0.2 . 1 . . . . . . . . 4089 1 257 . 1 1 21 21 GLU H H 1 8.84 0.01 . 1 . . . . . . . . 4089 1 258 . 1 1 21 21 GLU HA H 1 4.12 0.01 . 1 . . . . . . . . 4089 1 259 . 1 1 21 21 GLU HB2 H 1 2.11 0.01 . 1 . . . . . . . . 4089 1 260 . 1 1 21 21 GLU HB3 H 1 2.11 0.01 . 1 . . . . . . . . 4089 1 261 . 1 1 21 21 GLU HG2 H 1 1.87 0.01 . 1 . . . . . . . . 4089 1 262 . 1 1 21 21 GLU HG3 H 1 1.87 0.01 . 1 . . . . . . . . 4089 1 263 . 1 1 21 21 GLU CA C 13 55.5 0.3 . 1 . . . . . . . . 4089 1 264 . 1 1 21 21 GLU CB C 13 29.3 0.3 . 1 . . . . . . . . 4089 1 265 . 1 1 21 21 GLU N N 15 127.0 0.2 . 1 . . . . . . . . 4089 1 266 . 1 1 22 22 GLU H H 1 7.18 0.01 . 1 . . . . . . . . 4089 1 267 . 1 1 22 22 GLU HA H 1 4.39 0.01 . 1 . . . . . . . . 4089 1 268 . 1 1 22 22 GLU HB2 H 1 1.92 0.01 . 1 . . . . . . . . 4089 1 269 . 1 1 22 22 GLU HB3 H 1 1.92 0.01 . 1 . . . . . . . . 4089 1 270 . 1 1 22 22 GLU HG2 H 1 2.15 0.01 . 2 . . . . . . . . 4089 1 271 . 1 1 22 22 GLU HG3 H 1 1.99 0.01 . 2 . . . . . . . . 4089 1 272 . 1 1 22 22 GLU CA C 13 54.8 0.3 . 1 . . . . . . . . 4089 1 273 . 1 1 22 22 GLU CB C 13 32.8 0.3 . 1 . . . . . . . . 4089 1 274 . 1 1 22 22 GLU CG C 13 36.0 0.3 . 1 . . . . . . . . 4089 1 275 . 1 1 22 22 GLU N N 15 113.3 0.2 . 1 . . . . . . . . 4089 1 276 . 1 1 23 23 VAL H H 1 8.73 0.01 . 1 . . . . . . . . 4089 1 277 . 1 1 23 23 VAL HA H 1 3.61 0.01 . 1 . . . . . . . . 4089 1 278 . 1 1 23 23 VAL HB H 1 1.97 0.01 . 1 . . . . . . . . 4089 1 279 . 1 1 23 23 VAL HG11 H 1 0.82 0.01 . 1 . . . . . . . . 4089 1 280 . 1 1 23 23 VAL HG12 H 1 0.82 0.01 . 1 . . . . . . . . 4089 1 281 . 1 1 23 23 VAL HG13 H 1 0.82 0.01 . 1 . . . . . . . . 4089 1 282 . 1 1 23 23 VAL HG21 H 1 0.91 0.01 . 1 . . . . . . . . 4089 1 283 . 1 1 23 23 VAL HG22 H 1 0.91 0.01 . 1 . . . . . . . . 4089 1 284 . 1 1 23 23 VAL HG23 H 1 0.91 0.01 . 1 . . . . . . . . 4089 1 285 . 1 1 23 23 VAL CA C 13 64.1 0.3 . 1 . . . . . . . . 4089 1 286 . 1 1 23 23 VAL CB C 13 29.7 0.3 . 1 . . . . . . . . 4089 1 287 . 1 1 23 23 VAL CG1 C 13 21.9 0.3 . 1 . . . . . . . . 4089 1 288 . 1 1 23 23 VAL CG2 C 13 22.6 0.3 . 1 . . . . . . . . 4089 1 289 . 1 1 23 23 VAL N N 15 124.2 0.2 . 1 . . . . . . . . 4089 1 290 . 1 1 24 24 ASN H H 1 6.83 0.01 . 1 . . . . . . . . 4089 1 291 . 1 1 24 24 ASN HA H 1 4.88 0.01 . 1 . . . . . . . . 4089 1 292 . 1 1 24 24 ASN HB2 H 1 3.39 0.01 . 1 . . . . . . . . 4089 1 293 . 1 1 24 24 ASN HB3 H 1 2.81 0.01 . 1 . . . . . . . . 4089 1 294 . 1 1 24 24 ASN HD21 H 1 6.83 0.01 . 2 . . . . . . . . 4089 1 295 . 1 1 24 24 ASN HD22 H 1 7.71 0.01 . 2 . . . . . . . . 4089 1 296 . 1 1 24 24 ASN CA C 13 50.6 0.3 . 1 . . . . . . . . 4089 1 297 . 1 1 24 24 ASN CB C 13 39.9 0.3 . 1 . . . . . . . . 4089 1 298 . 1 1 24 24 ASN N N 15 123.0 0.2 . 1 . . . . . . . . 4089 1 299 . 1 1 24 24 ASN ND2 N 15 108.5 0.2 . 1 . . . . . . . . 4089 1 300 . 1 1 25 25 ALA H H 1 7.72 0.01 . 1 . . . . . . . . 4089 1 301 . 1 1 25 25 ALA HA H 1 4.22 0.01 . 1 . . . . . . . . 4089 1 302 . 1 1 25 25 ALA HB1 H 1 1.53 0.01 . 1 . . . . . . . . 4089 1 303 . 1 1 25 25 ALA HB2 H 1 1.53 0.01 . 1 . . . . . . . . 4089 1 304 . 1 1 25 25 ALA HB3 H 1 1.53 0.01 . 1 . . . . . . . . 4089 1 305 . 1 1 25 25 ALA CA C 13 55.5 0.3 . 1 . . . . . . . . 4089 1 306 . 1 1 25 25 ALA CB C 13 18.3 0.3 . 1 . . . . . . . . 4089 1 307 . 1 1 25 25 ALA N N 15 116.3 0.2 . 1 . . . . . . . . 4089 1 308 . 1 1 26 26 GLU H H 1 7.86 0.01 . 1 . . . . . . . . 4089 1 309 . 1 1 26 26 GLU HA H 1 4.15 0.01 . 1 . . . . . . . . 4089 1 310 . 1 1 26 26 GLU HB2 H 1 2.11 0.01 . 1 . . . . . . . . 4089 1 311 . 1 1 26 26 GLU HB3 H 1 2.11 0.01 . 1 . . . . . . . . 4089 1 312 . 1 1 26 26 GLU HG2 H 1 2.27 0.01 . 1 . . . . . . . . 4089 1 313 . 1 1 26 26 GLU HG3 H 1 2.27 0.01 . 1 . . . . . . . . 4089 1 314 . 1 1 26 26 GLU CA C 13 58.7 0.3 . 1 . . . . . . . . 4089 1 315 . 1 1 26 26 GLU CB C 13 29.7 0.3 . 1 . . . . . . . . 4089 1 316 . 1 1 26 26 GLU CG C 13 36.0 0.3 . 1 . . . . . . . . 4089 1 317 . 1 1 26 26 GLU N N 15 116.7 0.2 . 1 . . . . . . . . 4089 1 318 . 1 1 27 27 ILE H H 1 7.71 0.01 . 1 . . . . . . . . 4089 1 319 . 1 1 27 27 ILE HA H 1 3.88 0.01 . 1 . . . . . . . . 4089 1 320 . 1 1 27 27 ILE HB H 1 2.37 0.01 . 1 . . . . . . . . 4089 1 321 . 1 1 27 27 ILE HG12 H 1 2.03 0.01 . 2 . . . . . . . . 4089 1 322 . 1 1 27 27 ILE HG13 H 1 1.73 0.01 . 2 . . . . . . . . 4089 1 323 . 1 1 27 27 ILE HG21 H 1 0.90 0.01 . 1 . . . . . . . . 4089 1 324 . 1 1 27 27 ILE HG22 H 1 0.90 0.01 . 1 . . . . . . . . 4089 1 325 . 1 1 27 27 ILE HG23 H 1 0.90 0.01 . 1 . . . . . . . . 4089 1 326 . 1 1 27 27 ILE HD11 H 1 0.80 0.01 . 1 . . . . . . . . 4089 1 327 . 1 1 27 27 ILE HD12 H 1 0.80 0.01 . 1 . . . . . . . . 4089 1 328 . 1 1 27 27 ILE HD13 H 1 0.80 0.01 . 1 . . . . . . . . 4089 1 329 . 1 1 27 27 ILE CA C 13 61.2 0.3 . 1 . . . . . . . . 4089 1 330 . 1 1 27 27 ILE CB C 13 35.3 0.3 . 1 . . . . . . . . 4089 1 331 . 1 1 27 27 ILE CG1 C 13 32.1 0.3 . 1 . . . . . . . . 4089 1 332 . 1 1 27 27 ILE CG2 C 13 18.3 0.3 . 1 . . . . . . . . 4089 1 333 . 1 1 27 27 ILE CD1 C 13 8.7 0.3 . 1 . . . . . . . . 4089 1 334 . 1 1 27 27 ILE N N 15 116.5 0.2 . 1 . . . . . . . . 4089 1 335 . 1 1 28 28 GLN H H 1 8.19 0.01 . 1 . . . . . . . . 4089 1 336 . 1 1 28 28 GLN HA H 1 3.72 0.01 . 1 . . . . . . . . 4089 1 337 . 1 1 28 28 GLN HB2 H 1 1.91 0.01 . 1 . . . . . . . . 4089 1 338 . 1 1 28 28 GLN HB3 H 1 2.22 0.01 . 1 . . . . . . . . 4089 1 339 . 1 1 28 28 GLN HG2 H 1 2.56 0.01 . 2 . . . . . . . . 4089 1 340 . 1 1 28 28 GLN HG3 H 1 2.41 0.01 . 2 . . . . . . . . 4089 1 341 . 1 1 28 28 GLN HE21 H 1 6.76 0.01 . 2 . . . . . . . . 4089 1 342 . 1 1 28 28 GLN HE22 H 1 7.68 0.01 . 2 . . . . . . . . 4089 1 343 . 1 1 28 28 GLN CA C 13 60.2 0.3 . 1 . . . . . . . . 4089 1 344 . 1 1 28 28 GLN CB C 13 26.8 0.3 . 1 . . . . . . . . 4089 1 345 . 1 1 28 28 GLN CG C 13 33.9 0.3 . 1 . . . . . . . . 4089 1 346 . 1 1 28 28 GLN N N 15 115.6 0.2 . 1 . . . . . . . . 4089 1 347 . 1 1 28 28 GLN NE2 N 15 108.9 0.2 . 1 . . . . . . . . 4089 1 348 . 1 1 29 29 ARG H H 1 7.76 0.01 . 1 . . . . . . . . 4089 1 349 . 1 1 29 29 ARG HA H 1 4.15 0.01 . 1 . . . . . . . . 4089 1 350 . 1 1 29 29 ARG HB2 H 1 2.07 0.01 . 1 . . . . . . . . 4089 1 351 . 1 1 29 29 ARG HB3 H 1 1.96 0.01 . 1 . . . . . . . . 4089 1 352 . 1 1 29 29 ARG HG2 H 1 1.78 0.01 . 1 . . . . . . . . 4089 1 353 . 1 1 29 29 ARG HG3 H 1 1.78 0.01 . 1 . . . . . . . . 4089 1 354 . 1 1 29 29 ARG HD2 H 1 3.24 0.01 . 1 . . . . . . . . 4089 1 355 . 1 1 29 29 ARG HD3 H 1 3.24 0.01 . 1 . . . . . . . . 4089 1 356 . 1 1 29 29 ARG CA C 13 59.4 0.3 . 1 . . . . . . . . 4089 1 357 . 1 1 29 29 ARG CB C 13 29.7 0.3 . 1 . . . . . . . . 4089 1 358 . 1 1 29 29 ARG CG C 13 26.8 0.3 . 1 . . . . . . . . 4089 1 359 . 1 1 29 29 ARG CD C 13 43.5 0.3 . 1 . . . . . . . . 4089 1 360 . 1 1 29 29 ARG N N 15 116.7 0.2 . 1 . . . . . . . . 4089 1 361 . 1 1 30 30 ILE H H 1 7.71 0.01 . 1 . . . . . . . . 4089 1 362 . 1 1 30 30 ILE HA H 1 3.62 0.01 . 1 . . . . . . . . 4089 1 363 . 1 1 30 30 ILE HB H 1 2.02 0.01 . 1 . . . . . . . . 4089 1 364 . 1 1 30 30 ILE HG12 H 1 1.88 0.01 . 2 . . . . . . . . 4089 1 365 . 1 1 30 30 ILE HG13 H 1 0.97 0.01 . 2 . . . . . . . . 4089 1 366 . 1 1 30 30 ILE HG21 H 1 0.77 0.01 . 1 . . . . . . . . 4089 1 367 . 1 1 30 30 ILE HG22 H 1 0.77 0.01 . 1 . . . . . . . . 4089 1 368 . 1 1 30 30 ILE HG23 H 1 0.77 0.01 . 1 . . . . . . . . 4089 1 369 . 1 1 30 30 ILE HD11 H 1 0.81 0.01 . 1 . . . . . . . . 4089 1 370 . 1 1 30 30 ILE HD12 H 1 0.81 0.01 . 1 . . . . . . . . 4089 1 371 . 1 1 30 30 ILE HD13 H 1 0.81 0.01 . 1 . . . . . . . . 4089 1 372 . 1 1 30 30 ILE CA C 13 65.8 0.3 . 1 . . . . . . . . 4089 1 373 . 1 1 30 30 ILE CB C 13 38.2 0.3 . 1 . . . . . . . . 4089 1 374 . 1 1 30 30 ILE CG1 C 13 29.3 0.3 . 1 . . . . . . . . 4089 1 375 . 1 1 30 30 ILE CG2 C 13 18.0 0.3 . 1 . . . . . . . . 4089 1 376 . 1 1 30 30 ILE CD1 C 13 13.7 0.3 . 1 . . . . . . . . 4089 1 377 . 1 1 30 30 ILE N N 15 118.1 0.2 . 1 . . . . . . . . 4089 1 378 . 1 1 31 31 VAL H H 1 8.25 0.01 . 1 . . . . . . . . 4089 1 379 . 1 1 31 31 VAL HA H 1 3.33 0.01 . 1 . . . . . . . . 4089 1 380 . 1 1 31 31 VAL HB H 1 2.41 0.01 . 1 . . . . . . . . 4089 1 381 . 1 1 31 31 VAL HG11 H 1 1.08 0.01 . 1 . . . . . . . . 4089 1 382 . 1 1 31 31 VAL HG12 H 1 1.08 0.01 . 1 . . . . . . . . 4089 1 383 . 1 1 31 31 VAL HG13 H 1 1.08 0.01 . 1 . . . . . . . . 4089 1 384 . 1 1 31 31 VAL HG21 H 1 0.96 0.01 . 1 . . . . . . . . 4089 1 385 . 1 1 31 31 VAL HG22 H 1 0.96 0.01 . 1 . . . . . . . . 4089 1 386 . 1 1 31 31 VAL HG23 H 1 0.96 0.01 . 1 . . . . . . . . 4089 1 387 . 1 1 31 31 VAL CA C 13 66.9 0.3 . 1 . . . . . . . . 4089 1 388 . 1 1 31 31 VAL CB C 13 31.4 0.3 . 1 . . . . . . . . 4089 1 389 . 1 1 31 31 VAL CG1 C 13 22.9 0.3 . 1 . . . . . . . . 4089 1 390 . 1 1 31 31 VAL CG2 C 13 24.0 0.3 . 1 . . . . . . . . 4089 1 391 . 1 1 31 31 VAL N N 15 117.2 0.2 . 1 . . . . . . . . 4089 1 392 . 1 1 32 32 ASP H H 1 8.12 0.01 . 1 . . . . . . . . 4089 1 393 . 1 1 32 32 ASP HA H 1 4.66 0.01 . 1 . . . . . . . . 4089 1 394 . 1 1 32 32 ASP HB2 H 1 2.83 0.01 . 1 . . . . . . . . 4089 1 395 . 1 1 32 32 ASP HB3 H 1 2.95 0.01 . 1 . . . . . . . . 4089 1 396 . 1 1 32 32 ASP CA C 13 58.4 0.3 . 1 . . . . . . . . 4089 1 397 . 1 1 32 32 ASP CB C 13 39.6 0.3 . 1 . . . . . . . . 4089 1 398 . 1 1 32 32 ASP N N 15 118.1 0.2 . 1 . . . . . . . . 4089 1 399 . 1 1 33 33 ASP H H 1 8.85 0.01 . 1 . . . . . . . . 4089 1 400 . 1 1 33 33 ASP HA H 1 4.68 0.01 . 1 . . . . . . . . 4089 1 401 . 1 1 33 33 ASP HB2 H 1 2.67 0.01 . 1 . . . . . . . . 4089 1 402 . 1 1 33 33 ASP HB3 H 1 2.84 0.01 . 1 . . . . . . . . 4089 1 403 . 1 1 33 33 ASP CA C 13 57.3 0.3 . 1 . . . . . . . . 4089 1 404 . 1 1 33 33 ASP CB C 13 40.3 0.3 . 1 . . . . . . . . 4089 1 405 . 1 1 33 33 ASP N N 15 121.5 0.2 . 1 . . . . . . . . 4089 1 406 . 1 1 34 34 MET H H 1 9.33 0.01 . 1 . . . . . . . . 4089 1 407 . 1 1 34 34 MET HA H 1 3.53 0.01 . 1 . . . . . . . . 4089 1 408 . 1 1 34 34 MET HB2 H 1 2.18 0.01 . 1 . . . . . . . . 4089 1 409 . 1 1 34 34 MET HB3 H 1 1.85 0.01 . 1 . . . . . . . . 4089 1 410 . 1 1 34 34 MET HG2 H 1 1.92 0.01 . 1 . . . . . . . . 4089 1 411 . 1 1 34 34 MET HG3 H 1 2.70 0.01 . 1 . . . . . . . . 4089 1 412 . 1 1 34 34 MET HE1 H 1 1.68 0.01 . 1 . . . . . . . . 4089 1 413 . 1 1 34 34 MET HE2 H 1 1.68 0.01 . 1 . . . . . . . . 4089 1 414 . 1 1 34 34 MET HE3 H 1 1.68 0.01 . 1 . . . . . . . . 4089 1 415 . 1 1 34 34 MET CA C 13 60.9 0.3 . 1 . . . . . . . . 4089 1 416 . 1 1 34 34 MET CB C 13 32.8 0.3 . 1 . . . . . . . . 4089 1 417 . 1 1 34 34 MET CG C 13 32.8 0.3 . 1 . . . . . . . . 4089 1 418 . 1 1 34 34 MET CE C 13 16.5 0.3 . 1 . . . . . . . . 4089 1 419 . 1 1 34 34 MET N N 15 122.9 0.2 . 1 . . . . . . . . 4089 1 420 . 1 1 35 35 PHE H H 1 8.61 0.01 . 1 . . . . . . . . 4089 1 421 . 1 1 35 35 PHE HA H 1 3.90 0.01 . 1 . . . . . . . . 4089 1 422 . 1 1 35 35 PHE HB2 H 1 3.15 0.01 . 1 . . . . . . . . 4089 1 423 . 1 1 35 35 PHE HB3 H 1 3.15 0.01 . 1 . . . . . . . . 4089 1 424 . 1 1 35 35 PHE HD1 H 1 7.17 0.01 . 1 . . . . . . . . 4089 1 425 . 1 1 35 35 PHE HD2 H 1 7.17 0.01 . 1 . . . . . . . . 4089 1 426 . 1 1 35 35 PHE HE1 H 1 7.13 0.01 . 1 . . . . . . . . 4089 1 427 . 1 1 35 35 PHE HE2 H 1 7.13 0.01 . 1 . . . . . . . . 4089 1 428 . 1 1 35 35 PHE HZ H 1 7.09 0.01 . 1 . . . . . . . . 4089 1 429 . 1 1 35 35 PHE CA C 13 64.1 0.3 . 1 . . . . . . . . 4089 1 430 . 1 1 35 35 PHE CB C 13 38.9 0.3 . 1 . . . . . . . . 4089 1 431 . 1 1 35 35 PHE N N 15 116.2 0.2 . 1 . . . . . . . . 4089 1 432 . 1 1 36 36 GLU H H 1 8.15 0.01 . 1 . . . . . . . . 4089 1 433 . 1 1 36 36 GLU HA H 1 4.05 0.01 . 1 . . . . . . . . 4089 1 434 . 1 1 36 36 GLU HB2 H 1 2.21 0.01 . 1 . . . . . . . . 4089 1 435 . 1 1 36 36 GLU HB3 H 1 2.15 0.01 . 1 . . . . . . . . 4089 1 436 . 1 1 36 36 GLU HG2 H 1 2.52 0.01 . 1 . . . . . . . . 4089 1 437 . 1 1 36 36 GLU HG3 H 1 2.52 0.01 . 1 . . . . . . . . 4089 1 438 . 1 1 36 36 GLU CA C 13 60.5 0.3 . 1 . . . . . . . . 4089 1 439 . 1 1 36 36 GLU CB C 13 29.3 0.3 . 1 . . . . . . . . 4089 1 440 . 1 1 36 36 GLU CG C 13 36.7 0.3 . 1 . . . . . . . . 4089 1 441 . 1 1 36 36 GLU N N 15 115.5 0.2 . 1 . . . . . . . . 4089 1 442 . 1 1 37 37 THR H H 1 8.30 0.01 . 1 . . . . . . . . 4089 1 443 . 1 1 37 37 THR HA H 1 3.85 0.01 . 1 . . . . . . . . 4089 1 444 . 1 1 37 37 THR HB H 1 4.18 0.01 . 1 . . . . . . . . 4089 1 445 . 1 1 37 37 THR HG1 H 1 5.57 0.01 . 1 . . . . . . . . 4089 1 446 . 1 1 37 37 THR HG21 H 1 1.08 0.01 . 1 . . . . . . . . 4089 1 447 . 1 1 37 37 THR HG22 H 1 1.08 0.01 . 1 . . . . . . . . 4089 1 448 . 1 1 37 37 THR HG23 H 1 1.08 0.01 . 1 . . . . . . . . 4089 1 449 . 1 1 37 37 THR CA C 13 67.6 0.3 . 1 . . . . . . . . 4089 1 450 . 1 1 37 37 THR CB C 13 69.0 0.3 . 1 . . . . . . . . 4089 1 451 . 1 1 37 37 THR CG2 C 13 21.1 0.3 . 1 . . . . . . . . 4089 1 452 . 1 1 37 37 THR N N 15 113.7 0.2 . 1 . . . . . . . . 4089 1 453 . 1 1 38 38 MET H H 1 8.50 0.01 . 1 . . . . . . . . 4089 1 454 . 1 1 38 38 MET HA H 1 3.41 0.01 . 1 . . . . . . . . 4089 1 455 . 1 1 38 38 MET HB2 H 1 1.67 0.01 . 1 . . . . . . . . 4089 1 456 . 1 1 38 38 MET HB3 H 1 1.88 0.01 . 1 . . . . . . . . 4089 1 457 . 1 1 38 38 MET HG2 H 1 1.85 0.01 . 1 . . . . . . . . 4089 1 458 . 1 1 38 38 MET HG3 H 1 1.68 0.01 . 1 . . . . . . . . 4089 1 459 . 1 1 38 38 MET HE1 H 1 1.49 0.01 . 1 . . . . . . . . 4089 1 460 . 1 1 38 38 MET HE2 H 1 1.49 0.01 . 1 . . . . . . . . 4089 1 461 . 1 1 38 38 MET HE3 H 1 1.49 0.01 . 1 . . . . . . . . 4089 1 462 . 1 1 38 38 MET CA C 13 60.2 0.3 . 1 . . . . . . . . 4089 1 463 . 1 1 38 38 MET CB C 13 33.6 0.3 . 1 . . . . . . . . 4089 1 464 . 1 1 38 38 MET CG C 13 30.4 0.3 . 1 . . . . . . . . 4089 1 465 . 1 1 38 38 MET CE C 13 17.6 0.3 . 1 . . . . . . . . 4089 1 466 . 1 1 38 38 MET N N 15 119.3 0.2 . 1 . . . . . . . . 4089 1 467 . 1 1 39 39 TYR H H 1 8.81 0.01 . 1 . . . . . . . . 4089 1 468 . 1 1 39 39 TYR HA H 1 4.61 0.01 . 1 . . . . . . . . 4089 1 469 . 1 1 39 39 TYR HB2 H 1 2.93 0.01 . 1 . . . . . . . . 4089 1 470 . 1 1 39 39 TYR HB3 H 1 3.19 0.01 . 1 . . . . . . . . 4089 1 471 . 1 1 39 39 TYR HD1 H 1 7.19 0.01 . 1 . . . . . . . . 4089 1 472 . 1 1 39 39 TYR HD2 H 1 7.19 0.01 . 1 . . . . . . . . 4089 1 473 . 1 1 39 39 TYR HE1 H 1 6.59 0.01 . 1 . . . . . . . . 4089 1 474 . 1 1 39 39 TYR HE2 H 1 6.59 0.01 . 1 . . . . . . . . 4089 1 475 . 1 1 39 39 TYR CA C 13 60.2 0.3 . 1 . . . . . . . . 4089 1 476 . 1 1 39 39 TYR CB C 13 37.5 0.3 . 1 . . . . . . . . 4089 1 477 . 1 1 39 39 TYR N N 15 113.4 0.2 . 1 . . . . . . . . 4089 1 478 . 1 1 40 40 ALA H H 1 8.20 0.01 . 1 . . . . . . . . 4089 1 479 . 1 1 40 40 ALA HA H 1 4.24 0.01 . 1 . . . . . . . . 4089 1 480 . 1 1 40 40 ALA HB1 H 1 1.68 0.01 . 1 . . . . . . . . 4089 1 481 . 1 1 40 40 ALA HB2 H 1 1.68 0.01 . 1 . . . . . . . . 4089 1 482 . 1 1 40 40 ALA HB3 H 1 1.68 0.01 . 1 . . . . . . . . 4089 1 483 . 1 1 40 40 ALA CA C 13 55.5 0.3 . 1 . . . . . . . . 4089 1 484 . 1 1 40 40 ALA CB C 13 18.3 0.3 . 1 . . . . . . . . 4089 1 485 . 1 1 40 40 ALA N N 15 121.1 0.2 . 1 . . . . . . . . 4089 1 486 . 1 1 41 41 GLU H H 1 7.60 0.01 . 1 . . . . . . . . 4089 1 487 . 1 1 41 41 GLU HA H 1 4.50 0.01 . 1 . . . . . . . . 4089 1 488 . 1 1 41 41 GLU HB2 H 1 1.69 0.01 . 1 . . . . . . . . 4089 1 489 . 1 1 41 41 GLU HB3 H 1 2.57 0.01 . 1 . . . . . . . . 4089 1 490 . 1 1 41 41 GLU HG2 H 1 2.36 0.01 . 2 . . . . . . . . 4089 1 491 . 1 1 41 41 GLU HG3 H 1 2.29 0.01 . 2 . . . . . . . . 4089 1 492 . 1 1 41 41 GLU CA C 13 55.5 0.3 . 1 . . . . . . . . 4089 1 493 . 1 1 41 41 GLU CB C 13 30.7 0.3 . 1 . . . . . . . . 4089 1 494 . 1 1 41 41 GLU CG C 13 35.7 0.3 . 1 . . . . . . . . 4089 1 495 . 1 1 41 41 GLU N N 15 111.9 0.2 . 1 . . . . . . . . 4089 1 496 . 1 1 42 42 GLU H H 1 7.85 0.01 . 1 . . . . . . . . 4089 1 497 . 1 1 42 42 GLU HA H 1 4.01 0.01 . 1 . . . . . . . . 4089 1 498 . 1 1 42 42 GLU HB2 H 1 2.19 0.01 . 2 . . . . . . . . 4089 1 499 . 1 1 42 42 GLU HB3 H 1 2.25 0.01 . 2 . . . . . . . . 4089 1 500 . 1 1 42 42 GLU HG2 H 1 2.24 0.01 . 1 . . . . . . . . 4089 1 501 . 1 1 42 42 GLU HG3 H 1 2.24 0.01 . 1 . . . . . . . . 4089 1 502 . 1 1 42 42 GLU CA C 13 58.4 0.3 . 1 . . . . . . . . 4089 1 503 . 1 1 42 42 GLU CB C 13 28.6 0.3 . 1 . . . . . . . . 4089 1 504 . 1 1 42 42 GLU CG C 13 36.7 0.3 . 1 . . . . . . . . 4089 1 505 . 1 1 42 42 GLU N N 15 111.3 0.2 . 1 . . . . . . . . 4089 1 506 . 1 1 43 43 GLY H H 1 8.54 0.01 . 1 . . . . . . . . 4089 1 507 . 1 1 43 43 GLY HA2 H 1 4.59 0.01 . 2 . . . . . . . . 4089 1 508 . 1 1 43 43 GLY HA3 H 1 3.41 0.01 . 2 . . . . . . . . 4089 1 509 . 1 1 43 43 GLY CA C 13 44.2 0.3 . 1 . . . . . . . . 4089 1 510 . 1 1 43 43 GLY N N 15 102.6 0.2 . 1 . . . . . . . . 4089 1 511 . 1 1 44 44 ILE H H 1 8.06 0.01 . 1 . . . . . . . . 4089 1 512 . 1 1 44 44 ILE HA H 1 4.72 0.01 . 1 . . . . . . . . 4089 1 513 . 1 1 44 44 ILE HB H 1 2.15 0.01 . 1 . . . . . . . . 4089 1 514 . 1 1 44 44 ILE HG12 H 1 1.34 0.01 . 2 . . . . . . . . 4089 1 515 . 1 1 44 44 ILE HG13 H 1 1.36 0.01 . 2 . . . . . . . . 4089 1 516 . 1 1 44 44 ILE HG21 H 1 0.98 0.01 . 1 . . . . . . . . 4089 1 517 . 1 1 44 44 ILE HG22 H 1 0.98 0.01 . 1 . . . . . . . . 4089 1 518 . 1 1 44 44 ILE HG23 H 1 0.98 0.01 . 1 . . . . . . . . 4089 1 519 . 1 1 44 44 ILE HD11 H 1 0.83 0.01 . 1 . . . . . . . . 4089 1 520 . 1 1 44 44 ILE HD12 H 1 0.83 0.01 . 1 . . . . . . . . 4089 1 521 . 1 1 44 44 ILE HD13 H 1 0.83 0.01 . 1 . . . . . . . . 4089 1 522 . 1 1 44 44 ILE CA C 13 61.6 0.3 . 1 . . . . . . . . 4089 1 523 . 1 1 44 44 ILE CB C 13 39.6 0.3 . 1 . . . . . . . . 4089 1 524 . 1 1 44 44 ILE CG1 C 13 25.4 0.3 . 1 . . . . . . . . 4089 1 525 . 1 1 44 44 ILE CG2 C 13 17.6 0.3 . 1 . . . . . . . . 4089 1 526 . 1 1 44 44 ILE CD1 C 13 14.4 0.3 . 1 . . . . . . . . 4089 1 527 . 1 1 44 44 ILE N N 15 107.1 0.2 . 1 . . . . . . . . 4089 1 528 . 1 1 45 45 GLY H H 1 7.11 0.01 . 1 . . . . . . . . 4089 1 529 . 1 1 45 45 GLY HA2 H 1 3.37 0.01 . 2 . . . . . . . . 4089 1 530 . 1 1 45 45 GLY HA3 H 1 4.74 0.01 . 2 . . . . . . . . 4089 1 531 . 1 1 45 45 GLY CA C 13 45.3 0.3 . 1 . . . . . . . . 4089 1 532 . 1 1 45 45 GLY N N 15 104.7 0.2 . 1 . . . . . . . . 4089 1 533 . 1 1 46 46 LEU H H 1 8.58 0.01 . 1 . . . . . . . . 4089 1 534 . 1 1 46 46 LEU HA H 1 4.34 0.01 . 1 . . . . . . . . 4089 1 535 . 1 1 46 46 LEU HB2 H 1 1.00 0.01 . 1 . . . . . . . . 4089 1 536 . 1 1 46 46 LEU HB3 H 1 1.00 0.01 . 1 . . . . . . . . 4089 1 537 . 1 1 46 46 LEU HG H 1 1.35 0.01 . 1 . . . . . . . . 4089 1 538 . 1 1 46 46 LEU HD11 H 1 0.60 0.01 . 1 . . . . . . . . 4089 1 539 . 1 1 46 46 LEU HD12 H 1 0.60 0.01 . 1 . . . . . . . . 4089 1 540 . 1 1 46 46 LEU HD13 H 1 0.60 0.01 . 1 . . . . . . . . 4089 1 541 . 1 1 46 46 LEU HD21 H 1 0.78 0.01 . 1 . . . . . . . . 4089 1 542 . 1 1 46 46 LEU HD22 H 1 0.78 0.01 . 1 . . . . . . . . 4089 1 543 . 1 1 46 46 LEU HD23 H 1 0.78 0.01 . 1 . . . . . . . . 4089 1 544 . 1 1 46 46 LEU CA C 13 55.5 0.3 . 1 . . . . . . . . 4089 1 545 . 1 1 46 46 LEU CB C 13 46.0 0.3 . 1 . . . . . . . . 4089 1 546 . 1 1 46 46 LEU CG C 13 26.5 0.3 . 1 . . . . . . . . 4089 1 547 . 1 1 46 46 LEU CD1 C 13 27.2 0.3 . 1 . . . . . . . . 4089 1 548 . 1 1 46 46 LEU CD2 C 13 24.7 0.3 . 1 . . . . . . . . 4089 1 549 . 1 1 46 46 LEU N N 15 117.1 0.2 . 1 . . . . . . . . 4089 1 550 . 1 1 47 47 ALA H H 1 8.35 0.01 . 1 . . . . . . . . 4089 1 551 . 1 1 47 47 ALA HA H 1 5.12 0.01 . 1 . . . . . . . . 4089 1 552 . 1 1 47 47 ALA HB1 H 1 1.73 0.01 . 1 . . . . . . . . 4089 1 553 . 1 1 47 47 ALA HB2 H 1 1.73 0.01 . 1 . . . . . . . . 4089 1 554 . 1 1 47 47 ALA HB3 H 1 1.73 0.01 . 1 . . . . . . . . 4089 1 555 . 1 1 47 47 ALA CA C 13 49.9 0.3 . 1 . . . . . . . . 4089 1 556 . 1 1 47 47 ALA CB C 13 21.5 0.3 . 1 . . . . . . . . 4089 1 557 . 1 1 47 47 ALA N N 15 126.2 0.2 . 1 . . . . . . . . 4089 1 558 . 1 1 48 48 ALA H H 1 8.81 0.01 . 1 . . . . . . . . 4089 1 559 . 1 1 48 48 ALA HA H 1 3.92 0.01 . 1 . . . . . . . . 4089 1 560 . 1 1 48 48 ALA HB1 H 1 1.70 0.01 . 1 . . . . . . . . 4089 1 561 . 1 1 48 48 ALA HB2 H 1 1.70 0.01 . 1 . . . . . . . . 4089 1 562 . 1 1 48 48 ALA HB3 H 1 1.70 0.01 . 1 . . . . . . . . 4089 1 563 . 1 1 48 48 ALA CA C 13 55.9 0.3 . 1 . . . . . . . . 4089 1 564 . 1 1 48 48 ALA CB C 13 18.3 0.3 . 1 . . . . . . . . 4089 1 565 . 1 1 48 48 ALA N N 15 124.6 0.2 . 1 . . . . . . . . 4089 1 566 . 1 1 49 49 THR H H 1 7.12 0.01 . 1 . . . . . . . . 4089 1 567 . 1 1 49 49 THR HA H 1 3.32 0.01 . 1 . . . . . . . . 4089 1 568 . 1 1 49 49 THR HB H 1 3.26 0.01 . 1 . . . . . . . . 4089 1 569 . 1 1 49 49 THR HG1 H 1 6.53 0.01 . 1 . . . . . . . . 4089 1 570 . 1 1 49 49 THR HG21 H 1 1.63 0.01 . 1 . . . . . . . . 4089 1 571 . 1 1 49 49 THR HG22 H 1 1.63 0.01 . 1 . . . . . . . . 4089 1 572 . 1 1 49 49 THR HG23 H 1 1.63 0.01 . 1 . . . . . . . . 4089 1 573 . 1 1 49 49 THR CA C 13 66.9 0.3 . 1 . . . . . . . . 4089 1 574 . 1 1 49 49 THR CB C 13 72.2 0.3 . 1 . . . . . . . . 4089 1 575 . 1 1 49 49 THR CG2 C 13 21.5 0.3 . 1 . . . . . . . . 4089 1 576 . 1 1 49 49 THR N N 15 110.5 0.2 . 1 . . . . . . . . 4089 1 577 . 1 1 50 50 GLN H H 1 7.61 0.01 . 1 . . . . . . . . 4089 1 578 . 1 1 50 50 GLN HA H 1 3.77 0.01 . 1 . . . . . . . . 4089 1 579 . 1 1 50 50 GLN HB2 H 1 2.39 0.01 . 1 . . . . . . . . 4089 1 580 . 1 1 50 50 GLN HB3 H 1 2.03 0.01 . 1 . . . . . . . . 4089 1 581 . 1 1 50 50 GLN HG2 H 1 1.86 0.01 . 1 . . . . . . . . 4089 1 582 . 1 1 50 50 GLN HG3 H 1 1.33 0.01 . 1 . . . . . . . . 4089 1 583 . 1 1 50 50 GLN HE21 H 1 6.08 0.01 . 1 . . . . . . . . 4089 1 584 . 1 1 50 50 GLN HE22 H 1 8.12 0.01 . 1 . . . . . . . . 4089 1 585 . 1 1 50 50 GLN CA C 13 58.4 0.3 . 1 . . . . . . . . 4089 1 586 . 1 1 50 50 GLN CB C 13 32.1 0.3 . 1 . . . . . . . . 4089 1 587 . 1 1 50 50 GLN CG C 13 36.0 0.3 . 1 . . . . . . . . 4089 1 588 . 1 1 50 50 GLN N N 15 108.5 0.2 . 1 . . . . . . . . 4089 1 589 . 1 1 50 50 GLN NE2 N 15 104.6 0.2 . 1 . . . . . . . . 4089 1 590 . 1 1 51 51 VAL H H 1 7.86 0.01 . 1 . . . . . . . . 4089 1 591 . 1 1 51 51 VAL HA H 1 4.92 0.01 . 1 . . . . . . . . 4089 1 592 . 1 1 51 51 VAL HB H 1 2.47 0.01 . 1 . . . . . . . . 4089 1 593 . 1 1 51 51 VAL HG11 H 1 0.77 0.01 . 1 . . . . . . . . 4089 1 594 . 1 1 51 51 VAL HG12 H 1 0.77 0.01 . 1 . . . . . . . . 4089 1 595 . 1 1 51 51 VAL HG13 H 1 0.77 0.01 . 1 . . . . . . . . 4089 1 596 . 1 1 51 51 VAL HG21 H 1 0.67 0.01 . 1 . . . . . . . . 4089 1 597 . 1 1 51 51 VAL HG22 H 1 0.67 0.01 . 1 . . . . . . . . 4089 1 598 . 1 1 51 51 VAL HG23 H 1 0.67 0.01 . 1 . . . . . . . . 4089 1 599 . 1 1 51 51 VAL CA C 13 59.1 0.3 . 1 . . . . . . . . 4089 1 600 . 1 1 51 51 VAL CB C 13 30.0 0.3 . 1 . . . . . . . . 4089 1 601 . 1 1 51 51 VAL CG1 C 13 20.1 0.3 . 1 . . . . . . . . 4089 1 602 . 1 1 51 51 VAL CG2 C 13 23.3 0.3 . 1 . . . . . . . . 4089 1 603 . 1 1 51 51 VAL N N 15 106.3 0.2 . 1 . . . . . . . . 4089 1 604 . 1 1 52 52 ASP H H 1 7.79 0.01 . 1 . . . . . . . . 4089 1 605 . 1 1 52 52 ASP HA H 1 4.05 0.01 . 1 . . . . . . . . 4089 1 606 . 1 1 52 52 ASP HB2 H 1 2.04 0.01 . 1 . . . . . . . . 4089 1 607 . 1 1 52 52 ASP HB3 H 1 3.33 0.01 . 1 . . . . . . . . 4089 1 608 . 1 1 52 52 ASP CA C 13 54.5 0.3 . 1 . . . . . . . . 4089 1 609 . 1 1 52 52 ASP CB C 13 41.4 0.3 . 1 . . . . . . . . 4089 1 610 . 1 1 52 52 ASP N N 15 115.9 0.2 . 1 . . . . . . . . 4089 1 611 . 1 1 53 53 ILE H H 1 7.22 0.01 . 1 . . . . . . . . 4089 1 612 . 1 1 53 53 ILE HA H 1 3.91 0.01 . 1 . . . . . . . . 4089 1 613 . 1 1 53 53 ILE HB H 1 1.53 0.01 . 1 . . . . . . . . 4089 1 614 . 1 1 53 53 ILE HG12 H 1 0.84 0.01 . 2 . . . . . . . . 4089 1 615 . 1 1 53 53 ILE HG13 H 1 1.43 0.01 . 2 . . . . . . . . 4089 1 616 . 1 1 53 53 ILE HG21 H 1 0.75 0.01 . 1 . . . . . . . . 4089 1 617 . 1 1 53 53 ILE HG22 H 1 0.75 0.01 . 1 . . . . . . . . 4089 1 618 . 1 1 53 53 ILE HG23 H 1 0.75 0.01 . 1 . . . . . . . . 4089 1 619 . 1 1 53 53 ILE HD11 H 1 0.74 0.01 . 1 . . . . . . . . 4089 1 620 . 1 1 53 53 ILE HD12 H 1 0.74 0.01 . 1 . . . . . . . . 4089 1 621 . 1 1 53 53 ILE HD13 H 1 0.74 0.01 . 1 . . . . . . . . 4089 1 622 . 1 1 53 53 ILE CA C 13 60.5 0.3 . 1 . . . . . . . . 4089 1 623 . 1 1 53 53 ILE CB C 13 38.9 0.3 . 1 . . . . . . . . 4089 1 624 . 1 1 53 53 ILE CG1 C 13 26.5 0.3 . 1 . . . . . . . . 4089 1 625 . 1 1 53 53 ILE CG2 C 13 16.2 0.3 . 1 . . . . . . . . 4089 1 626 . 1 1 53 53 ILE CD1 C 13 13.7 0.3 . 1 . . . . . . . . 4089 1 627 . 1 1 53 53 ILE N N 15 116.8 0.2 . 1 . . . . . . . . 4089 1 628 . 1 1 54 54 HIS H H 1 8.11 0.01 . 1 . . . . . . . . 4089 1 629 . 1 1 54 54 HIS HA H 1 4.59 0.01 . 1 . . . . . . . . 4089 1 630 . 1 1 54 54 HIS HB2 H 1 2.84 0.01 . 1 . . . . . . . . 4089 1 631 . 1 1 54 54 HIS HB3 H 1 2.94 0.01 . 1 . . . . . . . . 4089 1 632 . 1 1 54 54 HIS HD2 H 1 6.86 0.01 . 1 . . . . . . . . 4089 1 633 . 1 1 54 54 HIS HE1 H 1 7.98 0.01 . 1 . . . . . . . . 4089 1 634 . 1 1 54 54 HIS CA C 13 55.9 0.3 . 1 . . . . . . . . 4089 1 635 . 1 1 54 54 HIS CB C 13 28.9 0.3 . 1 . . . . . . . . 4089 1 636 . 1 1 54 54 HIS N N 15 125.2 0.2 . 1 . . . . . . . . 4089 1 637 . 1 1 54 54 HIS ND1 N 15 247.5 0.2 . 1 . . . . . . . . 4089 1 638 . 1 1 54 54 HIS NE2 N 15 161.5 0.2 . 1 . . . . . . . . 4089 1 639 . 1 1 55 55 GLN H H 1 8.09 0.01 . 1 . . . . . . . . 4089 1 640 . 1 1 55 55 GLN HA H 1 5.77 0.01 . 1 . . . . . . . . 4089 1 641 . 1 1 55 55 GLN HB2 H 1 2.10 0.01 . 1 . . . . . . . . 4089 1 642 . 1 1 55 55 GLN HB3 H 1 1.34 0.01 . 1 . . . . . . . . 4089 1 643 . 1 1 55 55 GLN HG2 H 1 2.09 0.01 . 1 . . . . . . . . 4089 1 644 . 1 1 55 55 GLN HG3 H 1 2.09 0.01 . 1 . . . . . . . . 4089 1 645 . 1 1 55 55 GLN HE21 H 1 6.44 0.01 . 2 . . . . . . . . 4089 1 646 . 1 1 55 55 GLN HE22 H 1 6.81 0.01 . 2 . . . . . . . . 4089 1 647 . 1 1 55 55 GLN CA C 13 53.8 0.3 . 1 . . . . . . . . 4089 1 648 . 1 1 55 55 GLN CB C 13 34.6 0.3 . 1 . . . . . . . . 4089 1 649 . 1 1 55 55 GLN CG C 13 35.0 0.3 . 1 . . . . . . . . 4089 1 650 . 1 1 55 55 GLN N N 15 116.3 0.2 . 1 . . . . . . . . 4089 1 651 . 1 1 55 55 GLN NE2 N 15 105.8 0.2 . 1 . . . . . . . . 4089 1 652 . 1 1 56 56 ARG H H 1 7.74 0.01 . 1 . . . . . . . . 4089 1 653 . 1 1 56 56 ARG HA H 1 4.33 0.01 . 1 . . . . . . . . 4089 1 654 . 1 1 56 56 ARG HB2 H 1 2.47 0.01 . 1 . . . . . . . . 4089 1 655 . 1 1 56 56 ARG HB3 H 1 1.85 0.01 . 1 . . . . . . . . 4089 1 656 . 1 1 56 56 ARG HG2 H 1 1.53 0.01 . 2 . . . . . . . . 4089 1 657 . 1 1 56 56 ARG HG3 H 1 1.40 0.01 . 2 . . . . . . . . 4089 1 658 . 1 1 56 56 ARG HD2 H 1 3.34 0.01 . 2 . . . . . . . . 4089 1 659 . 1 1 56 56 ARG HD3 H 1 2.85 0.01 . 2 . . . . . . . . 4089 1 660 . 1 1 56 56 ARG CA C 13 57.7 0.3 . 1 . . . . . . . . 4089 1 661 . 1 1 56 56 ARG CB C 13 28.6 0.3 . 1 . . . . . . . . 4089 1 662 . 1 1 56 56 ARG CG C 13 27.9 0.3 . 1 . . . . . . . . 4089 1 663 . 1 1 56 56 ARG CD C 13 42.8 0.3 . 1 . . . . . . . . 4089 1 664 . 1 1 56 56 ARG N N 15 116.1 0.2 . 1 . . . . . . . . 4089 1 665 . 1 1 57 57 ILE H H 1 8.07 0.01 . 1 . . . . . . . . 4089 1 666 . 1 1 57 57 ILE HA H 1 4.59 0.01 . 1 . . . . . . . . 4089 1 667 . 1 1 57 57 ILE HB H 1 1.47 0.01 . 1 . . . . . . . . 4089 1 668 . 1 1 57 57 ILE HG12 H 1 1.24 0.01 . 1 . . . . . . . . 4089 1 669 . 1 1 57 57 ILE HG13 H 1 1.24 0.01 . 1 . . . . . . . . 4089 1 670 . 1 1 57 57 ILE HG21 H 1 0.70 0.01 . 1 . . . . . . . . 4089 1 671 . 1 1 57 57 ILE HG22 H 1 0.70 0.01 . 1 . . . . . . . . 4089 1 672 . 1 1 57 57 ILE HG23 H 1 0.70 0.01 . 1 . . . . . . . . 4089 1 673 . 1 1 57 57 ILE HD11 H 1 0.72 0.01 . 1 . . . . . . . . 4089 1 674 . 1 1 57 57 ILE HD12 H 1 0.72 0.01 . 1 . . . . . . . . 4089 1 675 . 1 1 57 57 ILE HD13 H 1 0.72 0.01 . 1 . . . . . . . . 4089 1 676 . 1 1 57 57 ILE CA C 13 61.2 0.3 . 1 . . . . . . . . 4089 1 677 . 1 1 57 57 ILE CB C 13 42.8 0.3 . 1 . . . . . . . . 4089 1 678 . 1 1 57 57 ILE CG1 C 13 27.5 0.3 . 1 . . . . . . . . 4089 1 679 . 1 1 57 57 ILE CG2 C 13 18.0 0.3 . 1 . . . . . . . . 4089 1 680 . 1 1 57 57 ILE CD1 C 13 14.4 0.3 . 1 . . . . . . . . 4089 1 681 . 1 1 57 57 ILE N N 15 123.8 0.2 . 1 . . . . . . . . 4089 1 682 . 1 1 58 58 ILE H H 1 8.72 0.01 . 1 . . . . . . . . 4089 1 683 . 1 1 58 58 ILE HA H 1 4.79 0.01 . 1 . . . . . . . . 4089 1 684 . 1 1 58 58 ILE HB H 1 1.73 0.01 . 1 . . . . . . . . 4089 1 685 . 1 1 58 58 ILE HG12 H 1 1.80 0.01 . 2 . . . . . . . . 4089 1 686 . 1 1 58 58 ILE HG13 H 1 1.13 0.01 . 2 . . . . . . . . 4089 1 687 . 1 1 58 58 ILE HG21 H 1 0.70 0.01 . 1 . . . . . . . . 4089 1 688 . 1 1 58 58 ILE HG22 H 1 0.70 0.01 . 1 . . . . . . . . 4089 1 689 . 1 1 58 58 ILE HG23 H 1 0.70 0.01 . 1 . . . . . . . . 4089 1 690 . 1 1 58 58 ILE HD11 H 1 0.85 0.01 . 1 . . . . . . . . 4089 1 691 . 1 1 58 58 ILE HD12 H 1 0.85 0.01 . 1 . . . . . . . . 4089 1 692 . 1 1 58 58 ILE HD13 H 1 0.85 0.01 . 1 . . . . . . . . 4089 1 693 . 1 1 58 58 ILE CA C 13 59.8 0.3 . 1 . . . . . . . . 4089 1 694 . 1 1 58 58 ILE CB C 13 44.6 0.3 . 1 . . . . . . . . 4089 1 695 . 1 1 58 58 ILE CG1 C 13 27.9 0.3 . 1 . . . . . . . . 4089 1 696 . 1 1 58 58 ILE CG2 C 13 18.0 0.3 . 1 . . . . . . . . 4089 1 697 . 1 1 58 58 ILE CD1 C 13 16.2 0.3 . 1 . . . . . . . . 4089 1 698 . 1 1 58 58 ILE N N 15 125.9 0.2 . 1 . . . . . . . . 4089 1 699 . 1 1 59 59 VAL H H 1 8.56 0.01 . 1 . . . . . . . . 4089 1 700 . 1 1 59 59 VAL HA H 1 5.04 0.01 . 1 . . . . . . . . 4089 1 701 . 1 1 59 59 VAL HB H 1 0.89 0.01 . 1 . . . . . . . . 4089 1 702 . 1 1 59 59 VAL HG11 H 1 0.32 0.01 . 1 . . . . . . . . 4089 1 703 . 1 1 59 59 VAL HG12 H 1 0.32 0.01 . 1 . . . . . . . . 4089 1 704 . 1 1 59 59 VAL HG13 H 1 0.32 0.01 . 1 . . . . . . . . 4089 1 705 . 1 1 59 59 VAL HG21 H 1 0.35 0.01 . 1 . . . . . . . . 4089 1 706 . 1 1 59 59 VAL HG22 H 1 0.35 0.01 . 1 . . . . . . . . 4089 1 707 . 1 1 59 59 VAL HG23 H 1 0.35 0.01 . 1 . . . . . . . . 4089 1 708 . 1 1 59 59 VAL CA C 13 58.7 0.3 . 1 . . . . . . . . 4089 1 709 . 1 1 59 59 VAL CB C 13 33.2 0.3 . 1 . . . . . . . . 4089 1 710 . 1 1 59 59 VAL CG1 C 13 19.4 0.3 . 1 . . . . . . . . 4089 1 711 . 1 1 59 59 VAL CG2 C 13 22.6 0.3 . 1 . . . . . . . . 4089 1 712 . 1 1 59 59 VAL N N 15 116.2 0.2 . 1 . . . . . . . . 4089 1 713 . 1 1 60 60 ILE H H 1 8.71 0.01 . 1 . . . . . . . . 4089 1 714 . 1 1 60 60 ILE HA H 1 4.66 0.01 . 1 . . . . . . . . 4089 1 715 . 1 1 60 60 ILE HB H 1 1.50 0.01 . 1 . . . . . . . . 4089 1 716 . 1 1 60 60 ILE HG12 H 1 1.15 0.01 . 2 . . . . . . . . 4089 1 717 . 1 1 60 60 ILE HG13 H 1 1.61 0.01 . 2 . . . . . . . . 4089 1 718 . 1 1 60 60 ILE HG21 H 1 1.09 0.01 . 1 . . . . . . . . 4089 1 719 . 1 1 60 60 ILE HG22 H 1 1.09 0.01 . 1 . . . . . . . . 4089 1 720 . 1 1 60 60 ILE HG23 H 1 1.09 0.01 . 1 . . . . . . . . 4089 1 721 . 1 1 60 60 ILE HD11 H 1 0.66 0.01 . 1 . . . . . . . . 4089 1 722 . 1 1 60 60 ILE HD12 H 1 0.66 0.01 . 1 . . . . . . . . 4089 1 723 . 1 1 60 60 ILE HD13 H 1 0.66 0.01 . 1 . . . . . . . . 4089 1 724 . 1 1 60 60 ILE CA C 13 60.5 0.3 . 1 . . . . . . . . 4089 1 725 . 1 1 60 60 ILE CG1 C 13 28.9 0.3 . 1 . . . . . . . . 4089 1 726 . 1 1 60 60 ILE CG2 C 13 18.3 0.3 . 1 . . . . . . . . 4089 1 727 . 1 1 60 60 ILE CD1 C 13 15.8 0.3 . 1 . . . . . . . . 4089 1 728 . 1 1 60 60 ILE N N 15 119.6 0.2 . 1 . . . . . . . . 4089 1 729 . 1 1 61 61 ASP H H 1 8.33 0.01 . 1 . . . . . . . . 4089 1 730 . 1 1 61 61 ASP HA H 1 4.92 0.01 . 1 . . . . . . . . 4089 1 731 . 1 1 61 61 ASP HB2 H 1 2.98 0.01 . 1 . . . . . . . . 4089 1 732 . 1 1 61 61 ASP HB3 H 1 2.85 0.01 . 1 . . . . . . . . 4089 1 733 . 1 1 61 61 ASP CA C 13 55.5 0.3 . 1 . . . . . . . . 4089 1 734 . 1 1 61 61 ASP CB C 13 42.4 0.3 . 1 . . . . . . . . 4089 1 735 . 1 1 61 61 ASP N N 15 119.0 0.2 . 1 . . . . . . . . 4089 1 736 . 1 1 62 62 VAL H H 1 9.04 0.01 . 1 . . . . . . . . 4089 1 737 . 1 1 62 62 VAL HA H 1 4.61 0.01 . 1 . . . . . . . . 4089 1 738 . 1 1 62 62 VAL HB H 1 2.62 0.01 . 1 . . . . . . . . 4089 1 739 . 1 1 62 62 VAL HG11 H 1 0.89 0.01 . 1 . . . . . . . . 4089 1 740 . 1 1 62 62 VAL HG12 H 1 0.89 0.01 . 1 . . . . . . . . 4089 1 741 . 1 1 62 62 VAL HG13 H 1 0.89 0.01 . 1 . . . . . . . . 4089 1 742 . 1 1 62 62 VAL HG21 H 1 1.00 0.01 . 1 . . . . . . . . 4089 1 743 . 1 1 62 62 VAL HG22 H 1 1.00 0.01 . 1 . . . . . . . . 4089 1 744 . 1 1 62 62 VAL HG23 H 1 1.00 0.01 . 1 . . . . . . . . 4089 1 745 . 1 1 62 62 VAL CA C 13 60.5 0.3 . 1 . . . . . . . . 4089 1 746 . 1 1 62 62 VAL CB C 13 31.4 0.3 . 1 . . . . . . . . 4089 1 747 . 1 1 62 62 VAL CG1 C 13 19.0 0.3 . 1 . . . . . . . . 4089 1 748 . 1 1 62 62 VAL CG2 C 13 23.3 0.3 . 1 . . . . . . . . 4089 1 749 . 1 1 62 62 VAL N N 15 115.4 0.2 . 1 . . . . . . . . 4089 1 750 . 1 1 63 63 SER H H 1 9.30 0.01 . 1 . . . . . . . . 4089 1 751 . 1 1 63 63 SER HA H 1 4.42 0.01 . 1 . . . . . . . . 4089 1 752 . 1 1 63 63 SER HB2 H 1 4.30 0.01 . 1 . . . . . . . . 4089 1 753 . 1 1 63 63 SER HB3 H 1 4.14 0.01 . 1 . . . . . . . . 4089 1 754 . 1 1 63 63 SER CA C 13 59.1 0.3 . 1 . . . . . . . . 4089 1 755 . 1 1 63 63 SER CB C 13 65.1 0.3 . 1 . . . . . . . . 4089 1 756 . 1 1 63 63 SER N N 15 120.2 0.2 . 1 . . . . . . . . 4089 1 757 . 1 1 64 64 GLU H H 1 8.85 0.01 . 1 . . . . . . . . 4089 1 758 . 1 1 64 64 GLU HA H 1 4.15 0.01 . 1 . . . . . . . . 4089 1 759 . 1 1 64 64 GLU HB2 H 1 2.00 0.01 . 1 . . . . . . . . 4089 1 760 . 1 1 64 64 GLU HB3 H 1 2.00 0.01 . 1 . . . . . . . . 4089 1 761 . 1 1 64 64 GLU HG2 H 1 2.29 0.01 . 1 . . . . . . . . 4089 1 762 . 1 1 64 64 GLU HG3 H 1 2.29 0.01 . 1 . . . . . . . . 4089 1 763 . 1 1 64 64 GLU CA C 13 58.4 0.3 . 1 . . . . . . . . 4089 1 764 . 1 1 64 64 GLU CB C 13 30.0 0.3 . 1 . . . . . . . . 4089 1 765 . 1 1 64 64 GLU CG C 13 35.7 0.3 . 1 . . . . . . . . 4089 1 766 . 1 1 64 64 GLU N N 15 120.0 0.2 . 1 . . . . . . . . 4089 1 767 . 1 1 65 65 ASN H H 1 8.45 0.01 . 1 . . . . . . . . 4089 1 768 . 1 1 65 65 ASN HA H 1 4.72 0.01 . 1 . . . . . . . . 4089 1 769 . 1 1 65 65 ASN HB2 H 1 2.79 0.01 . 1 . . . . . . . . 4089 1 770 . 1 1 65 65 ASN HB3 H 1 2.68 0.01 . 1 . . . . . . . . 4089 1 771 . 1 1 65 65 ASN HD21 H 1 6.80 0.01 . 2 . . . . . . . . 4089 1 772 . 1 1 65 65 ASN HD22 H 1 7.64 0.01 . 2 . . . . . . . . 4089 1 773 . 1 1 65 65 ASN CA C 13 52.7 0.3 . 1 . . . . . . . . 4089 1 774 . 1 1 65 65 ASN CB C 13 38.2 0.3 . 1 . . . . . . . . 4089 1 775 . 1 1 65 65 ASN N N 15 111.6 0.2 . 1 . . . . . . . . 4089 1 776 . 1 1 65 65 ASN ND2 N 15 110.4 0.2 . 1 . . . . . . . . 4089 1 777 . 1 1 66 66 ARG H H 1 7.86 0.01 . 1 . . . . . . . . 4089 1 778 . 1 1 66 66 ARG HA H 1 4.17 0.01 . 1 . . . . . . . . 4089 1 779 . 1 1 66 66 ARG HB2 H 1 1.87 0.01 . 1 . . . . . . . . 4089 1 780 . 1 1 66 66 ARG HB3 H 1 1.59 0.01 . 1 . . . . . . . . 4089 1 781 . 1 1 66 66 ARG HG2 H 1 1.48 0.01 . 1 . . . . . . . . 4089 1 782 . 1 1 66 66 ARG HG3 H 1 1.48 0.01 . 1 . . . . . . . . 4089 1 783 . 1 1 66 66 ARG HD2 H 1 2.99 0.01 . 2 . . . . . . . . 4089 1 784 . 1 1 66 66 ARG HD3 H 1 3.03 0.01 . 2 . . . . . . . . 4089 1 785 . 1 1 66 66 ARG CA C 13 55.9 0.3 . 1 . . . . . . . . 4089 1 786 . 1 1 66 66 ARG CB C 13 25.4 0.3 . 1 . . . . . . . . 4089 1 787 . 1 1 66 66 ARG CG C 13 26.5 0.3 . 1 . . . . . . . . 4089 1 788 . 1 1 66 66 ARG CD C 13 43.1 0.3 . 1 . . . . . . . . 4089 1 789 . 1 1 66 66 ARG N N 15 114.1 0.2 . 1 . . . . . . . . 4089 1 790 . 1 1 67 67 ASP H H 1 8.12 0.01 . 1 . . . . . . . . 4089 1 791 . 1 1 67 67 ASP HA H 1 4.63 0.01 . 1 . . . . . . . . 4089 1 792 . 1 1 67 67 ASP HB2 H 1 2.71 0.01 . 1 . . . . . . . . 4089 1 793 . 1 1 67 67 ASP HB3 H 1 2.26 0.01 . 1 . . . . . . . . 4089 1 794 . 1 1 67 67 ASP CA C 13 52.7 0.3 . 1 . . . . . . . . 4089 1 795 . 1 1 67 67 ASP CB C 13 41.4 0.3 . 1 . . . . . . . . 4089 1 796 . 1 1 67 67 ASP N N 15 114.2 0.2 . 1 . . . . . . . . 4089 1 797 . 1 1 68 68 GLU H H 1 8.18 0.01 . 1 . . . . . . . . 4089 1 798 . 1 1 68 68 GLU HA H 1 4.56 0.01 . 1 . . . . . . . . 4089 1 799 . 1 1 68 68 GLU HB2 H 1 1.83 0.01 . 1 . . . . . . . . 4089 1 800 . 1 1 68 68 GLU HB3 H 1 2.10 0.01 . 1 . . . . . . . . 4089 1 801 . 1 1 68 68 GLU HG2 H 1 2.28 0.01 . 1 . . . . . . . . 4089 1 802 . 1 1 68 68 GLU HG3 H 1 2.28 0.01 . 1 . . . . . . . . 4089 1 803 . 1 1 68 68 GLU CA C 13 54.8 0.3 . 1 . . . . . . . . 4089 1 804 . 1 1 68 68 GLU CB C 13 30.7 0.3 . 1 . . . . . . . . 4089 1 805 . 1 1 68 68 GLU CG C 13 36.4 0.3 . 1 . . . . . . . . 4089 1 806 . 1 1 68 68 GLU N N 15 122.0 0.2 . 1 . . . . . . . . 4089 1 807 . 1 1 69 69 ARG H H 1 7.67 0.01 . 1 . . . . . . . . 4089 1 808 . 1 1 69 69 ARG HA H 1 4.29 0.01 . 1 . . . . . . . . 4089 1 809 . 1 1 69 69 ARG HB2 H 1 1.56 0.01 . 1 . . . . . . . . 4089 1 810 . 1 1 69 69 ARG HB3 H 1 1.37 0.01 . 1 . . . . . . . . 4089 1 811 . 1 1 69 69 ARG HG2 H 1 1.19 0.01 . 2 . . . . . . . . 4089 1 812 . 1 1 69 69 ARG HG3 H 1 1.27 0.01 . 2 . . . . . . . . 4089 1 813 . 1 1 69 69 ARG HD2 H 1 2.34 0.01 . 2 . . . . . . . . 4089 1 814 . 1 1 69 69 ARG HD3 H 1 2.04 0.01 . 2 . . . . . . . . 4089 1 815 . 1 1 69 69 ARG HE H 1 7.77 0.01 . 1 . . . . . . . . 4089 1 816 . 1 1 69 69 ARG CA C 13 57.0 0.3 . 1 . . . . . . . . 4089 1 817 . 1 1 69 69 ARG CB C 13 31.1 0.3 . 1 . . . . . . . . 4089 1 818 . 1 1 69 69 ARG CG C 13 27.2 0.3 . 1 . . . . . . . . 4089 1 819 . 1 1 69 69 ARG CD C 13 39.6 0.3 . 1 . . . . . . . . 4089 1 820 . 1 1 69 69 ARG N N 15 118.1 0.2 . 1 . . . . . . . . 4089 1 821 . 1 1 69 69 ARG NE N 15 81.0 0.5 . 1 . . . . . . . . 4089 1 822 . 1 1 70 70 LEU H H 1 9.35 0.01 . 1 . . . . . . . . 4089 1 823 . 1 1 70 70 LEU HA H 1 4.68 0.01 . 1 . . . . . . . . 4089 1 824 . 1 1 70 70 LEU HB2 H 1 1.73 0.01 . 1 . . . . . . . . 4089 1 825 . 1 1 70 70 LEU HB3 H 1 1.53 0.01 . 1 . . . . . . . . 4089 1 826 . 1 1 70 70 LEU HG H 1 1.46 0.01 . 1 . . . . . . . . 4089 1 827 . 1 1 70 70 LEU HD11 H 1 0.96 0.01 . 1 . . . . . . . . 4089 1 828 . 1 1 70 70 LEU HD12 H 1 0.96 0.01 . 1 . . . . . . . . 4089 1 829 . 1 1 70 70 LEU HD13 H 1 0.96 0.01 . 1 . . . . . . . . 4089 1 830 . 1 1 70 70 LEU HD21 H 1 0.87 0.01 . 1 . . . . . . . . 4089 1 831 . 1 1 70 70 LEU HD22 H 1 0.87 0.01 . 1 . . . . . . . . 4089 1 832 . 1 1 70 70 LEU HD23 H 1 0.87 0.01 . 1 . . . . . . . . 4089 1 833 . 1 1 70 70 LEU CA C 13 54.8 0.3 . 1 . . . . . . . . 4089 1 834 . 1 1 70 70 LEU CB C 13 44.9 0.3 . 1 . . . . . . . . 4089 1 835 . 1 1 70 70 LEU CG C 13 26.8 0.3 . 1 . . . . . . . . 4089 1 836 . 1 1 70 70 LEU CD1 C 13 24.3 0.3 . 1 . . . . . . . . 4089 1 837 . 1 1 70 70 LEU CD2 C 13 25.8 0.3 . 1 . . . . . . . . 4089 1 838 . 1 1 70 70 LEU N N 15 124.6 0.2 . 1 . . . . . . . . 4089 1 839 . 1 1 71 71 VAL H H 1 8.08 0.01 . 1 . . . . . . . . 4089 1 840 . 1 1 71 71 VAL HA H 1 4.66 0.01 . 1 . . . . . . . . 4089 1 841 . 1 1 71 71 VAL HB H 1 2.11 0.01 . 1 . . . . . . . . 4089 1 842 . 1 1 71 71 VAL HG11 H 1 0.94 0.01 . 1 . . . . . . . . 4089 1 843 . 1 1 71 71 VAL HG12 H 1 0.94 0.01 . 1 . . . . . . . . 4089 1 844 . 1 1 71 71 VAL HG13 H 1 0.94 0.01 . 1 . . . . . . . . 4089 1 845 . 1 1 71 71 VAL HG21 H 1 1.27 0.01 . 1 . . . . . . . . 4089 1 846 . 1 1 71 71 VAL HG22 H 1 1.27 0.01 . 1 . . . . . . . . 4089 1 847 . 1 1 71 71 VAL HG23 H 1 1.27 0.01 . 1 . . . . . . . . 4089 1 848 . 1 1 71 71 VAL CA C 13 60.9 0.3 . 1 . . . . . . . . 4089 1 849 . 1 1 71 71 VAL CB C 13 34.3 0.3 . 1 . . . . . . . . 4089 1 850 . 1 1 71 71 VAL CG1 C 13 21.5 0.3 . 1 . . . . . . . . 4089 1 851 . 1 1 71 71 VAL CG2 C 13 24.0 0.3 . 1 . . . . . . . . 4089 1 852 . 1 1 71 71 VAL N N 15 121.6 0.2 . 1 . . . . . . . . 4089 1 853 . 1 1 72 72 LEU H H 1 8.94 0.01 . 1 . . . . . . . . 4089 1 854 . 1 1 72 72 LEU HA H 1 4.84 0.01 . 1 . . . . . . . . 4089 1 855 . 1 1 72 72 LEU HB2 H 1 1.00 0.01 . 1 . . . . . . . . 4089 1 856 . 1 1 72 72 LEU HB3 H 1 1.92 0.01 . 1 . . . . . . . . 4089 1 857 . 1 1 72 72 LEU HG H 1 1.73 0.01 . 1 . . . . . . . . 4089 1 858 . 1 1 72 72 LEU HD11 H 1 0.83 0.01 . 1 . . . . . . . . 4089 1 859 . 1 1 72 72 LEU HD12 H 1 0.83 0.01 . 1 . . . . . . . . 4089 1 860 . 1 1 72 72 LEU HD13 H 1 0.83 0.01 . 1 . . . . . . . . 4089 1 861 . 1 1 72 72 LEU HD21 H 1 0.83 0.01 . 1 . . . . . . . . 4089 1 862 . 1 1 72 72 LEU HD22 H 1 0.83 0.01 . 1 . . . . . . . . 4089 1 863 . 1 1 72 72 LEU HD23 H 1 0.83 0.01 . 1 . . . . . . . . 4089 1 864 . 1 1 72 72 LEU CA C 13 53.4 0.3 . 1 . . . . . . . . 4089 1 865 . 1 1 72 72 LEU CB C 13 44.2 0.3 . 1 . . . . . . . . 4089 1 866 . 1 1 72 72 LEU CG C 13 21.1 0.3 . 1 . . . . . . . . 4089 1 867 . 1 1 72 72 LEU CD1 C 13 26.1 0.3 . 1 . . . . . . . . 4089 1 868 . 1 1 72 72 LEU CD2 C 13 26.1 0.3 . 1 . . . . . . . . 4089 1 869 . 1 1 72 72 LEU N N 15 121.4 0.2 . 1 . . . . . . . . 4089 1 870 . 1 1 73 73 ILE H H 1 9.04 0.01 . 1 . . . . . . . . 4089 1 871 . 1 1 73 73 ILE HA H 1 4.83 0.01 . 1 . . . . . . . . 4089 1 872 . 1 1 73 73 ILE HB H 1 1.79 0.01 . 1 . . . . . . . . 4089 1 873 . 1 1 73 73 ILE HG12 H 1 0.83 0.01 . 2 . . . . . . . . 4089 1 874 . 1 1 73 73 ILE HG13 H 1 1.54 0.01 . 2 . . . . . . . . 4089 1 875 . 1 1 73 73 ILE HG21 H 1 0.73 0.01 . 1 . . . . . . . . 4089 1 876 . 1 1 73 73 ILE HG22 H 1 0.73 0.01 . 1 . . . . . . . . 4089 1 877 . 1 1 73 73 ILE HG23 H 1 0.73 0.01 . 1 . . . . . . . . 4089 1 878 . 1 1 73 73 ILE HD11 H 1 0.68 0.01 . 1 . . . . . . . . 4089 1 879 . 1 1 73 73 ILE HD12 H 1 0.68 0.01 . 1 . . . . . . . . 4089 1 880 . 1 1 73 73 ILE HD13 H 1 0.68 0.01 . 1 . . . . . . . . 4089 1 881 . 1 1 73 73 ILE CA C 13 60.2 0.3 . 1 . . . . . . . . 4089 1 882 . 1 1 73 73 ILE CB C 13 38.2 0.3 . 1 . . . . . . . . 4089 1 883 . 1 1 73 73 ILE CG1 C 13 29.7 0.3 . 1 . . . . . . . . 4089 1 884 . 1 1 73 73 ILE CG2 C 13 17.2 0.3 . 1 . . . . . . . . 4089 1 885 . 1 1 73 73 ILE CD1 C 13 13.7 0.3 . 1 . . . . . . . . 4089 1 886 . 1 1 73 73 ILE N N 15 122.2 0.2 . 1 . . . . . . . . 4089 1 887 . 1 1 74 74 ASN H H 1 9.30 0.01 . 1 . . . . . . . . 4089 1 888 . 1 1 74 74 ASN HA H 1 4.32 0.01 . 1 . . . . . . . . 4089 1 889 . 1 1 74 74 ASN HB2 H 1 3.05 0.01 . 1 . . . . . . . . 4089 1 890 . 1 1 74 74 ASN HB3 H 1 3.10 0.01 . 1 . . . . . . . . 4089 1 891 . 1 1 74 74 ASN HD21 H 1 7.05 0.01 . 2 . . . . . . . . 4089 1 892 . 1 1 74 74 ASN HD22 H 1 7.77 0.01 . 2 . . . . . . . . 4089 1 893 . 1 1 74 74 ASN CA C 13 54.1 0.3 . 1 . . . . . . . . 4089 1 894 . 1 1 74 74 ASN CB C 13 36.7 0.3 . 1 . . . . . . . . 4089 1 895 . 1 1 74 74 ASN N N 15 119.3 0.2 . 1 . . . . . . . . 4089 1 896 . 1 1 74 74 ASN ND2 N 15 106.1 0.2 . 1 . . . . . . . . 4089 1 897 . 1 1 75 75 PRO HA H 1 5.12 0.01 . 1 . . . . . . . . 4089 1 898 . 1 1 75 75 PRO HB2 H 1 1.79 0.01 . 1 . . . . . . . . 4089 1 899 . 1 1 75 75 PRO HB3 H 1 2.00 0.01 . 1 . . . . . . . . 4089 1 900 . 1 1 75 75 PRO HG2 H 1 1.75 0.01 . 1 . . . . . . . . 4089 1 901 . 1 1 75 75 PRO HG3 H 1 1.75 0.01 . 1 . . . . . . . . 4089 1 902 . 1 1 75 75 PRO HD2 H 1 3.40 0.01 . 1 . . . . . . . . 4089 1 903 . 1 1 75 75 PRO HD3 H 1 3.27 0.01 . 1 . . . . . . . . 4089 1 904 . 1 1 75 75 PRO CA C 13 62.6 0.3 . 1 . . . . . . . . 4089 1 905 . 1 1 75 75 PRO CB C 13 32.1 0.3 . 1 . . . . . . . . 4089 1 906 . 1 1 75 75 PRO CG C 13 27.9 0.3 . 1 . . . . . . . . 4089 1 907 . 1 1 75 75 PRO CD C 13 50.2 0.3 . 1 . . . . . . . . 4089 1 908 . 1 1 76 76 GLU H H 1 9.35 0.01 . 1 . . . . . . . . 4089 1 909 . 1 1 76 76 GLU HA H 1 4.54 0.01 . 1 . . . . . . . . 4089 1 910 . 1 1 76 76 GLU HB2 H 1 1.90 0.01 . 1 . . . . . . . . 4089 1 911 . 1 1 76 76 GLU HB3 H 1 1.80 0.01 . 1 . . . . . . . . 4089 1 912 . 1 1 76 76 GLU HG2 H 1 2.17 0.01 . 2 . . . . . . . . 4089 1 913 . 1 1 76 76 GLU HG3 H 1 2.06 0.01 . 2 . . . . . . . . 4089 1 914 . 1 1 76 76 GLU CA C 13 54.8 0.3 . 1 . . . . . . . . 4089 1 915 . 1 1 76 76 GLU CB C 13 33.6 0.3 . 1 . . . . . . . . 4089 1 916 . 1 1 76 76 GLU CG C 13 36.4 0.3 . 1 . . . . . . . . 4089 1 917 . 1 1 76 76 GLU N N 15 118.5 0.01 . 1 . . . . . . . . 4089 1 918 . 1 1 77 77 LEU H H 1 8.82 0.01 . 1 . . . . . . . . 4089 1 919 . 1 1 77 77 LEU HA H 1 4.45 0.01 . 1 . . . . . . . . 4089 1 920 . 1 1 77 77 LEU HB2 H 1 1.27 0.01 . 1 . . . . . . . . 4089 1 921 . 1 1 77 77 LEU HB3 H 1 1.86 0.01 . 1 . . . . . . . . 4089 1 922 . 1 1 77 77 LEU HG H 1 1.40 0.01 . 1 . . . . . . . . 4089 1 923 . 1 1 77 77 LEU HD11 H 1 0.89 0.01 . 1 . . . . . . . . 4089 1 924 . 1 1 77 77 LEU HD12 H 1 0.89 0.01 . 1 . . . . . . . . 4089 1 925 . 1 1 77 77 LEU HD13 H 1 0.89 0.01 . 1 . . . . . . . . 4089 1 926 . 1 1 77 77 LEU HD21 H 1 0.83 0.01 . 1 . . . . . . . . 4089 1 927 . 1 1 77 77 LEU HD22 H 1 0.83 0.01 . 1 . . . . . . . . 4089 1 928 . 1 1 77 77 LEU HD23 H 1 0.83 0.01 . 1 . . . . . . . . 4089 1 929 . 1 1 77 77 LEU CA C 13 55.2 0.3 . 1 . . . . . . . . 4089 1 930 . 1 1 77 77 LEU CB C 13 42.8 0.3 . 1 . . . . . . . . 4089 1 931 . 1 1 77 77 LEU CG C 13 27.5 0.3 . 1 . . . . . . . . 4089 1 932 . 1 1 77 77 LEU CD1 C 13 24.7 0.3 . 1 . . . . . . . . 4089 1 933 . 1 1 77 77 LEU CD2 C 13 25.4 0.3 . 1 . . . . . . . . 4089 1 934 . 1 1 77 77 LEU N N 15 123.4 0.2 . 1 . . . . . . . . 4089 1 935 . 1 1 78 78 LEU H H 1 9.14 0.01 . 1 . . . . . . . . 4089 1 936 . 1 1 78 78 LEU HA H 1 4.45 0.01 . 1 . . . . . . . . 4089 1 937 . 1 1 78 78 LEU HB2 H 1 1.46 0.01 . 2 . . . . . . . . 4089 1 938 . 1 1 78 78 LEU HB3 H 1 1.59 0.01 . 2 . . . . . . . . 4089 1 939 . 1 1 78 78 LEU HG H 1 1.42 0.01 . 1 . . . . . . . . 4089 1 940 . 1 1 78 78 LEU HD11 H 1 0.73 0.01 . 1 . . . . . . . . 4089 1 941 . 1 1 78 78 LEU HD12 H 1 0.73 0.01 . 1 . . . . . . . . 4089 1 942 . 1 1 78 78 LEU HD13 H 1 0.73 0.01 . 1 . . . . . . . . 4089 1 943 . 1 1 78 78 LEU HD21 H 1 0.73 0.01 . 1 . . . . . . . . 4089 1 944 . 1 1 78 78 LEU HD22 H 1 0.73 0.01 . 1 . . . . . . . . 4089 1 945 . 1 1 78 78 LEU HD23 H 1 0.73 0.01 . 1 . . . . . . . . 4089 1 946 . 1 1 78 78 LEU CA C 13 55.9 0.3 . 1 . . . . . . . . 4089 1 947 . 1 1 78 78 LEU CB C 13 42.8 0.3 . 1 . . . . . . . . 4089 1 948 . 1 1 78 78 LEU CG C 13 28.9 0.3 . 1 . . . . . . . . 4089 1 949 . 1 1 78 78 LEU CD1 C 13 25.4 0.3 . 2 . . . . . . . . 4089 1 950 . 1 1 78 78 LEU CD2 C 13 21.9 0.3 . 2 . . . . . . . . 4089 1 951 . 1 1 78 78 LEU N N 15 125.4 0.2 . 1 . . . . . . . . 4089 1 952 . 1 1 79 79 GLU H H 1 7.66 0.01 . 1 . . . . . . . . 4089 1 953 . 1 1 79 79 GLU HA H 1 4.60 0.01 . 1 . . . . . . . . 4089 1 954 . 1 1 79 79 GLU HB2 H 1 2.02 0.01 . 1 . . . . . . . . 4089 1 955 . 1 1 79 79 GLU HB3 H 1 1.87 0.01 . 1 . . . . . . . . 4089 1 956 . 1 1 79 79 GLU HG2 H 1 2.15 0.01 . 1 . . . . . . . . 4089 1 957 . 1 1 79 79 GLU HG3 H 1 2.15 0.01 . 1 . . . . . . . . 4089 1 958 . 1 1 79 79 GLU CA C 13 55.5 0.3 . 1 . . . . . . . . 4089 1 959 . 1 1 79 79 GLU CB C 13 34.3 0.3 . 1 . . . . . . . . 4089 1 960 . 1 1 79 79 GLU CG C 13 39.6 0.3 . 1 . . . . . . . . 4089 1 961 . 1 1 79 79 GLU N N 15 112.9 0.2 . 1 . . . . . . . . 4089 1 962 . 1 1 80 80 LYS H H 1 8.37 0.01 . 1 . . . . . . . . 4089 1 963 . 1 1 80 80 LYS HA H 1 5.33 0.01 . 1 . . . . . . . . 4089 1 964 . 1 1 80 80 LYS HB2 H 1 1.74 0.01 . 1 . . . . . . . . 4089 1 965 . 1 1 80 80 LYS HB3 H 1 1.80 0.01 . 1 . . . . . . . . 4089 1 966 . 1 1 80 80 LYS HG2 H 1 1.22 0.01 . 1 . . . . . . . . 4089 1 967 . 1 1 80 80 LYS HG3 H 1 1.22 0.01 . 1 . . . . . . . . 4089 1 968 . 1 1 80 80 LYS HD2 H 1 1.34 0.01 . 2 . . . . . . . . 4089 1 969 . 1 1 80 80 LYS HD3 H 1 1.38 0.01 . 2 . . . . . . . . 4089 1 970 . 1 1 80 80 LYS HE2 H 1 2.94 0.01 . 1 . . . . . . . . 4089 1 971 . 1 1 80 80 LYS HE3 H 1 2.94 0.01 . 1 . . . . . . . . 4089 1 972 . 1 1 80 80 LYS CA C 13 55.2 0.3 . 1 . . . . . . . . 4089 1 973 . 1 1 80 80 LYS CB C 13 36.0 0.3 . 1 . . . . . . . . 4089 1 974 . 1 1 80 80 LYS CG C 13 18.7 0.3 . 1 . . . . . . . . 4089 1 975 . 1 1 80 80 LYS CD C 13 23.3 0.3 . 1 . . . . . . . . 4089 1 976 . 1 1 80 80 LYS CE C 13 42.1 0.3 . 1 . . . . . . . . 4089 1 977 . 1 1 80 80 LYS N N 15 116.2 0.2 . 1 . . . . . . . . 4089 1 978 . 1 1 81 81 SER H H 1 8.78 0.01 . 1 . . . . . . . . 4089 1 979 . 1 1 81 81 SER HA H 1 4.78 0.01 . 1 . . . . . . . . 4089 1 980 . 1 1 81 81 SER HB2 H 1 3.84 0.01 . 1 . . . . . . . . 4089 1 981 . 1 1 81 81 SER HB3 H 1 3.79 0.01 . 1 . . . . . . . . 4089 1 982 . 1 1 81 81 SER CA C 13 58.0 0.3 . 1 . . . . . . . . 4089 1 983 . 1 1 81 81 SER CB C 13 65.8 0.3 . 1 . . . . . . . . 4089 1 984 . 1 1 81 81 SER N N 15 111.2 0.2 . 1 . . . . . . . . 4089 1 985 . 1 1 82 82 GLY H H 1 8.52 0.01 . 1 . . . . . . . . 4089 1 986 . 1 1 82 82 GLY HA2 H 1 4.32 0.01 . 2 . . . . . . . . 4089 1 987 . 1 1 82 82 GLY HA3 H 1 3.97 0.01 . 2 . . . . . . . . 4089 1 988 . 1 1 82 82 GLY CA C 13 44.9 0.3 . 1 . . . . . . . . 4089 1 989 . 1 1 82 82 GLY N N 15 106.3 0.2 . 1 . . . . . . . . 4089 1 990 . 1 1 83 83 GLU H H 1 8.48 0.01 . 1 . . . . . . . . 4089 1 991 . 1 1 83 83 GLU HA H 1 5.09 0.01 . 1 . . . . . . . . 4089 1 992 . 1 1 83 83 GLU HB2 H 1 1.89 0.01 . 1 . . . . . . . . 4089 1 993 . 1 1 83 83 GLU HB3 H 1 1.93 0.01 . 1 . . . . . . . . 4089 1 994 . 1 1 83 83 GLU HG2 H 1 2.11 0.01 . 1 . . . . . . . . 4089 1 995 . 1 1 83 83 GLU HG3 H 1 2.11 0.01 . 1 . . . . . . . . 4089 1 996 . 1 1 83 83 GLU CA C 13 55.9 0.3 . 1 . . . . . . . . 4089 1 997 . 1 1 83 83 GLU CB C 13 33.2 0.3 . 1 . . . . . . . . 4089 1 998 . 1 1 83 83 GLU CG C 13 36.7 0.3 . 1 . . . . . . . . 4089 1 999 . 1 1 83 83 GLU N N 15 115.9 0.2 . 1 . . . . . . . . 4089 1 1000 . 1 1 84 84 THR H H 1 8.86 0.01 . 1 . . . . . . . . 4089 1 1001 . 1 1 84 84 THR HA H 1 4.62 0.01 . 1 . . . . . . . . 4089 1 1002 . 1 1 84 84 THR HB H 1 4.01 0.01 . 1 . . . . . . . . 4089 1 1003 . 1 1 84 84 THR HG21 H 1 0.86 0.01 . 1 . . . . . . . . 4089 1 1004 . 1 1 84 84 THR HG22 H 1 0.86 0.01 . 1 . . . . . . . . 4089 1 1005 . 1 1 84 84 THR HG23 H 1 0.86 0.01 . 1 . . . . . . . . 4089 1 1006 . 1 1 84 84 THR CA C 13 59.4 0.3 . 1 . . . . . . . . 4089 1 1007 . 1 1 84 84 THR CB C 13 69.0 0.3 . 1 . . . . . . . . 4089 1 1008 . 1 1 84 84 THR CG2 C 13 19.0 0.3 . 1 . . . . . . . . 4089 1 1009 . 1 1 84 84 THR N N 15 117.0 0.2 . 1 . . . . . . . . 4089 1 1010 . 1 1 85 85 GLY H H 1 7.75 0.01 . 1 . . . . . . . . 4089 1 1011 . 1 1 85 85 GLY HA2 H 1 4.35 0.01 . 2 . . . . . . . . 4089 1 1012 . 1 1 85 85 GLY HA3 H 1 3.80 0.01 . 2 . . . . . . . . 4089 1 1013 . 1 1 85 85 GLY CA C 13 46.7 0.3 . 1 . . . . . . . . 4089 1 1014 . 1 1 85 85 GLY N N 15 107.1 0.2 . 1 . . . . . . . . 4089 1 1015 . 1 1 86 86 ILE H H 1 10.06 0.01 . 1 . . . . . . . . 4089 1 1016 . 1 1 86 86 ILE HA H 1 4.49 0.01 . 1 . . . . . . . . 4089 1 1017 . 1 1 86 86 ILE HB H 1 1.84 0.01 . 1 . . . . . . . . 4089 1 1018 . 1 1 86 86 ILE HG12 H 1 1.17 0.01 . 2 . . . . . . . . 4089 1 1019 . 1 1 86 86 ILE HG13 H 1 1.11 0.01 . 2 . . . . . . . . 4089 1 1020 . 1 1 86 86 ILE HG21 H 1 0.82 0.01 . 1 . . . . . . . . 4089 1 1021 . 1 1 86 86 ILE HG22 H 1 0.82 0.01 . 1 . . . . . . . . 4089 1 1022 . 1 1 86 86 ILE HG23 H 1 0.82 0.01 . 1 . . . . . . . . 4089 1 1023 . 1 1 86 86 ILE HD11 H 1 0.64 0.01 . 1 . . . . . . . . 4089 1 1024 . 1 1 86 86 ILE HD12 H 1 0.64 0.01 . 1 . . . . . . . . 4089 1 1025 . 1 1 86 86 ILE HD13 H 1 0.64 0.01 . 1 . . . . . . . . 4089 1 1026 . 1 1 86 86 ILE CA C 13 59.8 0.3 . 1 . . . . . . . . 4089 1 1027 . 1 1 86 86 ILE CB C 13 42.1 0.3 . 1 . . . . . . . . 4089 1 1028 . 1 1 86 86 ILE CG1 C 13 26.1 0.3 . 1 . . . . . . . . 4089 1 1029 . 1 1 86 86 ILE CG2 C 13 17.2 0.3 . 1 . . . . . . . . 4089 1 1030 . 1 1 86 86 ILE CD1 C 13 15.5 0.3 . 1 . . . . . . . . 4089 1 1031 . 1 1 86 86 ILE N N 15 121.6 0.2 . 1 . . . . . . . . 4089 1 1032 . 1 1 87 87 GLU H H 1 7.96 0.01 . 1 . . . . . . . . 4089 1 1033 . 1 1 87 87 GLU HA H 1 3.95 0.01 . 1 . . . . . . . . 4089 1 1034 . 1 1 87 87 GLU HB2 H 1 1.67 0.01 . 1 . . . . . . . . 4089 1 1035 . 1 1 87 87 GLU HB3 H 1 1.89 0.01 . 1 . . . . . . . . 4089 1 1036 . 1 1 87 87 GLU HG2 H 1 1.90 0.01 . 1 . . . . . . . . 4089 1 1037 . 1 1 87 87 GLU HG3 H 1 2.05 0.01 . 1 . . . . . . . . 4089 1 1038 . 1 1 87 87 GLU CA C 13 57.0 0.3 . 1 . . . . . . . . 4089 1 1039 . 1 1 87 87 GLU CB C 13 28.9 0.3 . 1 . . . . . . . . 4089 1 1040 . 1 1 87 87 GLU CG C 13 37.8 0.3 . 1 . . . . . . . . 4089 1 1041 . 1 1 87 87 GLU N N 15 116.4 0.2 . 1 . . . . . . . . 4089 1 1042 . 1 1 88 88 GLU H H 1 8.37 0.01 . 1 . . . . . . . . 4089 1 1043 . 1 1 88 88 GLU HA H 1 4.18 0.01 . 1 . . . . . . . . 4089 1 1044 . 1 1 88 88 GLU HB2 H 1 1.53 0.01 . 1 . . . . . . . . 4089 1 1045 . 1 1 88 88 GLU HB3 H 1 1.84 0.01 . 1 . . . . . . . . 4089 1 1046 . 1 1 88 88 GLU HG2 H 1 1.97 0.01 . 1 . . . . . . . . 4089 1 1047 . 1 1 88 88 GLU HG3 H 1 2.44 0.01 . 1 . . . . . . . . 4089 1 1048 . 1 1 88 88 GLU CA C 13 56.6 0.3 . 1 . . . . . . . . 4089 1 1049 . 1 1 88 88 GLU CB C 13 32.8 0.3 . 1 . . . . . . . . 4089 1 1050 . 1 1 88 88 GLU CG C 13 36.7 0.3 . 1 . . . . . . . . 4089 1 1051 . 1 1 88 88 GLU N N 15 127.4 0.2 . 1 . . . . . . . . 4089 1 1052 . 1 1 89 89 GLY H H 1 7.67 0.01 . 1 . . . . . . . . 4089 1 1053 . 1 1 89 89 GLY HA2 H 1 4.69 0.01 . 2 . . . . . . . . 4089 1 1054 . 1 1 89 89 GLY HA3 H 1 3.65 0.01 . 2 . . . . . . . . 4089 1 1055 . 1 1 89 89 GLY CA C 13 43.1 0.3 . 1 . . . . . . . . 4089 1 1056 . 1 1 89 89 GLY N N 15 100.6 0.2 . 1 . . . . . . . . 4089 1 1057 . 1 1 90 90 CYS H H 1 9.65 0.01 . 1 . . . . . . . . 4089 1 1058 . 1 1 90 90 CYS HA H 1 4.50 0.01 . 1 . . . . . . . . 4089 1 1059 . 1 1 90 90 CYS HB2 H 1 3.41 0.01 . 1 . . . . . . . . 4089 1 1060 . 1 1 90 90 CYS HB3 H 1 2.83 0.01 . 1 . . . . . . . . 4089 1 1061 . 1 1 90 90 CYS CA C 13 61.6 0.3 . 1 . . . . . . . . 4089 1 1062 . 1 1 90 90 CYS CB C 13 32.5 0.3 . 1 . . . . . . . . 4089 1 1063 . 1 1 90 90 CYS N N 15 117.7 0.2 . 1 . . . . . . . . 4089 1 1064 . 1 1 91 91 LEU H H 1 9.49 0.01 . 1 . . . . . . . . 4089 1 1065 . 1 1 91 91 LEU HA H 1 4.36 0.01 . 1 . . . . . . . . 4089 1 1066 . 1 1 91 91 LEU HB2 H 1 1.74 0.01 . 1 . . . . . . . . 4089 1 1067 . 1 1 91 91 LEU HB3 H 1 1.67 0.01 . 1 . . . . . . . . 4089 1 1068 . 1 1 91 91 LEU HG H 1 2.06 0.01 . 1 . . . . . . . . 4089 1 1069 . 1 1 91 91 LEU HD11 H 1 1.04 0.01 . 1 . . . . . . . . 4089 1 1070 . 1 1 91 91 LEU HD12 H 1 1.04 0.01 . 1 . . . . . . . . 4089 1 1071 . 1 1 91 91 LEU HD13 H 1 1.04 0.01 . 1 . . . . . . . . 4089 1 1072 . 1 1 91 91 LEU HD21 H 1 0.97 0.01 . 1 . . . . . . . . 4089 1 1073 . 1 1 91 91 LEU HD22 H 1 0.97 0.01 . 1 . . . . . . . . 4089 1 1074 . 1 1 91 91 LEU HD23 H 1 0.97 0.01 . 1 . . . . . . . . 4089 1 1075 . 1 1 91 91 LEU CA C 13 58.0 0.3 . 1 . . . . . . . . 4089 1 1076 . 1 1 91 91 LEU CB C 13 42.8 0.3 . 1 . . . . . . . . 4089 1 1077 . 1 1 91 91 LEU CG C 13 27.5 0.3 . 1 . . . . . . . . 4089 1 1078 . 1 1 91 91 LEU CD1 C 13 23.3 0.3 . 1 . . . . . . . . 4089 1 1079 . 1 1 91 91 LEU CD2 C 13 25.4 0.3 . 1 . . . . . . . . 4089 1 1080 . 1 1 91 91 LEU N N 15 128.4 0.2 . 1 . . . . . . . . 4089 1 1081 . 1 1 92 92 SER H H 1 8.66 0.01 . 1 . . . . . . . . 4089 1 1082 . 1 1 92 92 SER HA H 1 5.04 0.01 . 1 . . . . . . . . 4089 1 1083 . 1 1 92 92 SER HB2 H 1 4.05 0.01 . 1 . . . . . . . . 4089 1 1084 . 1 1 92 92 SER HB3 H 1 4.42 0.01 . 1 . . . . . . . . 4089 1 1085 . 1 1 92 92 SER HG H 1 5.58 0.01 . 1 . . . . . . . . 4089 1 1086 . 1 1 92 92 SER CA C 13 60.9 0.3 . 1 . . . . . . . . 4089 1 1087 . 1 1 92 92 SER CB C 13 64.8 0.3 . 1 . . . . . . . . 4089 1 1088 . 1 1 92 92 SER N N 15 109.1 0.2 . 1 . . . . . . . . 4089 1 1089 . 1 1 93 93 ILE H H 1 7.72 0.01 . 1 . . . . . . . . 4089 1 1090 . 1 1 93 93 ILE HA H 1 4.55 0.01 . 1 . . . . . . . . 4089 1 1091 . 1 1 93 93 ILE HB H 1 2.08 0.01 . 1 . . . . . . . . 4089 1 1092 . 1 1 93 93 ILE HG12 H 1 1.52 0.01 . 1 . . . . . . . . 4089 1 1093 . 1 1 93 93 ILE HG13 H 1 1.52 0.01 . 1 . . . . . . . . 4089 1 1094 . 1 1 93 93 ILE HG21 H 1 0.90 0.01 . 1 . . . . . . . . 4089 1 1095 . 1 1 93 93 ILE HG22 H 1 0.90 0.01 . 1 . . . . . . . . 4089 1 1096 . 1 1 93 93 ILE HG23 H 1 0.90 0.01 . 1 . . . . . . . . 4089 1 1097 . 1 1 93 93 ILE HD11 H 1 0.54 0.01 . 1 . . . . . . . . 4089 1 1098 . 1 1 93 93 ILE HD12 H 1 0.54 0.01 . 1 . . . . . . . . 4089 1 1099 . 1 1 93 93 ILE HD13 H 1 0.54 0.01 . 1 . . . . . . . . 4089 1 1100 . 1 1 93 93 ILE CA C 13 58.7 0.3 . 1 . . . . . . . . 4089 1 1101 . 1 1 93 93 ILE CB C 13 38.5 0.3 . 1 . . . . . . . . 4089 1 1102 . 1 1 93 93 ILE CG1 C 13 26.5 0.3 . 1 . . . . . . . . 4089 1 1103 . 1 1 93 93 ILE CG2 C 13 19.0 0.3 . 1 . . . . . . . . 4089 1 1104 . 1 1 93 93 ILE CD1 C 13 14.0 0.3 . 1 . . . . . . . . 4089 1 1105 . 1 1 93 93 ILE N N 15 117.4 0.2 . 1 . . . . . . . . 4089 1 1106 . 1 1 94 94 PRO HA H 1 4.37 0.01 . 1 . . . . . . . . 4089 1 1107 . 1 1 94 94 PRO HB2 H 1 1.92 0.01 . 1 . . . . . . . . 4089 1 1108 . 1 1 94 94 PRO HB3 H 1 2.30 0.01 . 1 . . . . . . . . 4089 1 1109 . 1 1 94 94 PRO HG2 H 1 1.59 0.01 . 2 . . . . . . . . 4089 1 1110 . 1 1 94 94 PRO HG3 H 1 1.83 0.01 . 2 . . . . . . . . 4089 1 1111 . 1 1 94 94 PRO HD2 H 1 3.31 0.01 . 1 . . . . . . . . 4089 1 1112 . 1 1 94 94 PRO HD3 H 1 3.60 0.01 . 1 . . . . . . . . 4089 1 1113 . 1 1 94 94 PRO CA C 13 64.4 0.3 . 1 . . . . . . . . 4089 1 1114 . 1 1 94 94 PRO CB C 13 32.1 0.3 . 1 . . . . . . . . 4089 1 1115 . 1 1 94 94 PRO CG C 13 27.5 0.3 . 1 . . . . . . . . 4089 1 1116 . 1 1 94 94 PRO CD C 13 50.2 0.3 . 1 . . . . . . . . 4089 1 1117 . 1 1 95 95 GLU H H 1 8.85 0.01 . 1 . . . . . . . . 4089 1 1118 . 1 1 95 95 GLU HA H 1 4.02 0.01 . 1 . . . . . . . . 4089 1 1119 . 1 1 95 95 GLU HB2 H 1 2.22 0.01 . 1 . . . . . . . . 4089 1 1120 . 1 1 95 95 GLU HB3 H 1 2.22 0.01 . 1 . . . . . . . . 4089 1 1121 . 1 1 95 95 GLU HG2 H 1 2.27 0.01 . 2 . . . . . . . . 4089 1 1122 . 1 1 95 95 GLU HG3 H 1 2.32 0.01 . 2 . . . . . . . . 4089 1 1123 . 1 1 95 95 GLU CA C 13 58.0 0.3 . 1 . . . . . . . . 4089 1 1124 . 1 1 95 95 GLU CB C 13 36.7 0.3 . 1 . . . . . . . . 4089 1 1125 . 1 1 95 95 GLU CG C 13 26.5 0.3 . 1 . . . . . . . . 4089 1 1126 . 1 1 95 95 GLU N N 15 112.4 0.2 . 1 . . . . . . . . 4089 1 1127 . 1 1 96 96 GLN H H 1 7.49 0.01 . 1 . . . . . . . . 4089 1 1128 . 1 1 96 96 GLN HA H 1 4.75 0.01 . 1 . . . . . . . . 4089 1 1129 . 1 1 96 96 GLN HB2 H 1 2.12 0.01 . 1 . . . . . . . . 4089 1 1130 . 1 1 96 96 GLN HB3 H 1 1.93 0.01 . 1 . . . . . . . . 4089 1 1131 . 1 1 96 96 GLN HG2 H 1 2.30 0.01 . 1 . . . . . . . . 4089 1 1132 . 1 1 96 96 GLN HG3 H 1 2.30 0.01 . 1 . . . . . . . . 4089 1 1133 . 1 1 96 96 GLN HE21 H 1 6.63 0.01 . 2 . . . . . . . . 4089 1 1134 . 1 1 96 96 GLN HE22 H 1 7.35 0.01 . 2 . . . . . . . . 4089 1 1135 . 1 1 96 96 GLN CA C 13 55.5 0.3 . 1 . . . . . . . . 4089 1 1136 . 1 1 96 96 GLN CB C 13 31.8 0.3 . 1 . . . . . . . . 4089 1 1137 . 1 1 96 96 GLN CG C 13 33.6 0.3 . 1 . . . . . . . . 4089 1 1138 . 1 1 96 96 GLN N N 15 115.0 0.2 . 1 . . . . . . . . 4089 1 1139 . 1 1 96 96 GLN NE2 N 15 108.0 0.2 . 1 . . . . . . . . 4089 1 1140 . 1 1 97 97 ARG H H 1 8.28 0.01 . 1 . . . . . . . . 4089 1 1141 . 1 1 97 97 ARG HA H 1 5.34 0.01 . 1 . . . . . . . . 4089 1 1142 . 1 1 97 97 ARG HB2 H 1 1.51 0.01 . 1 . . . . . . . . 4089 1 1143 . 1 1 97 97 ARG HB3 H 1 1.51 0.01 . 1 . . . . . . . . 4089 1 1144 . 1 1 97 97 ARG HG2 H 1 1.51 0.01 . 2 . . . . . . . . 4089 1 1145 . 1 1 97 97 ARG HG3 H 1 1.56 0.01 . 2 . . . . . . . . 4089 1 1146 . 1 1 97 97 ARG HD2 H 1 3.02 0.01 . 2 . . . . . . . . 4089 1 1147 . 1 1 97 97 ARG HD3 H 1 3.05 0.01 . 2 . . . . . . . . 4089 1 1148 . 1 1 97 97 ARG CA C 13 54.5 0.3 . 1 . . . . . . . . 4089 1 1149 . 1 1 97 97 ARG CB C 13 34.3 0.3 . 1 . . . . . . . . 4089 1 1150 . 1 1 97 97 ARG CG C 13 27.5 0.3 . 1 . . . . . . . . 4089 1 1151 . 1 1 97 97 ARG CD C 13 43.1 0.3 . 1 . . . . . . . . 4089 1 1152 . 1 1 97 97 ARG N N 15 119.5 0.2 . 1 . . . . . . . . 4089 1 1153 . 1 1 98 98 ALA H H 1 8.04 0.01 . 1 . . . . . . . . 4089 1 1154 . 1 1 98 98 ALA HA H 1 4.58 0.01 . 1 . . . . . . . . 4089 1 1155 . 1 1 98 98 ALA HB1 H 1 1.23 0.01 . 1 . . . . . . . . 4089 1 1156 . 1 1 98 98 ALA HB2 H 1 1.23 0.01 . 1 . . . . . . . . 4089 1 1157 . 1 1 98 98 ALA HB3 H 1 1.23 0.01 . 1 . . . . . . . . 4089 1 1158 . 1 1 98 98 ALA CA C 13 51.6 0.3 . 1 . . . . . . . . 4089 1 1159 . 1 1 98 98 ALA CB C 13 23.3 0.3 . 1 . . . . . . . . 4089 1 1160 . 1 1 98 98 ALA N N 15 119.0 0.2 . 1 . . . . . . . . 4089 1 1161 . 1 1 99 99 LEU H H 1 8.18 0.01 . 1 . . . . . . . . 4089 1 1162 . 1 1 99 99 LEU HA H 1 4.73 0.01 . 1 . . . . . . . . 4089 1 1163 . 1 1 99 99 LEU HB2 H 1 1.32 0.01 . 1 . . . . . . . . 4089 1 1164 . 1 1 99 99 LEU HB3 H 1 1.56 0.01 . 1 . . . . . . . . 4089 1 1165 . 1 1 99 99 LEU HG H 1 1.25 0.01 . 1 . . . . . . . . 4089 1 1166 . 1 1 99 99 LEU HD11 H 1 0.66 0.01 . 1 . . . . . . . . 4089 1 1167 . 1 1 99 99 LEU HD12 H 1 0.66 0.01 . 1 . . . . . . . . 4089 1 1168 . 1 1 99 99 LEU HD13 H 1 0.66 0.01 . 1 . . . . . . . . 4089 1 1169 . 1 1 99 99 LEU HD21 H 1 0.66 0.01 . 1 . . . . . . . . 4089 1 1170 . 1 1 99 99 LEU HD22 H 1 0.66 0.01 . 1 . . . . . . . . 4089 1 1171 . 1 1 99 99 LEU HD23 H 1 0.66 0.01 . 1 . . . . . . . . 4089 1 1172 . 1 1 99 99 LEU CA C 13 55.2 0.3 . 1 . . . . . . . . 4089 1 1173 . 1 1 99 99 LEU CB C 13 42.8 0.3 . 1 . . . . . . . . 4089 1 1174 . 1 1 99 99 LEU CG C 13 27.9 0.3 . 1 . . . . . . . . 4089 1 1175 . 1 1 99 99 LEU CD1 C 13 24.7 0.3 . 1 . . . . . . . . 4089 1 1176 . 1 1 99 99 LEU CD2 C 13 24.7 0.3 . 1 . . . . . . . . 4089 1 1177 . 1 1 99 99 LEU N N 15 121.5 0.2 . 1 . . . . . . . . 4089 1 1178 . 1 1 100 100 VAL H H 1 7.45 0.01 . 1 . . . . . . . . 4089 1 1179 . 1 1 100 100 VAL HA H 1 4.54 0.01 . 1 . . . . . . . . 4089 1 1180 . 1 1 100 100 VAL HB H 1 1.94 0.01 . 1 . . . . . . . . 4089 1 1181 . 1 1 100 100 VAL HG11 H 1 0.80 0.01 . 1 . . . . . . . . 4089 1 1182 . 1 1 100 100 VAL HG12 H 1 0.80 0.01 . 1 . . . . . . . . 4089 1 1183 . 1 1 100 100 VAL HG13 H 1 0.80 0.01 . 1 . . . . . . . . 4089 1 1184 . 1 1 100 100 VAL HG21 H 1 0.55 0.01 . 1 . . . . . . . . 4089 1 1185 . 1 1 100 100 VAL HG22 H 1 0.55 0.01 . 1 . . . . . . . . 4089 1 1186 . 1 1 100 100 VAL HG23 H 1 0.55 0.01 . 1 . . . . . . . . 4089 1 1187 . 1 1 100 100 VAL CA C 13 58.4 0.3 . 1 . . . . . . . . 4089 1 1188 . 1 1 100 100 VAL CB C 13 35.0 0.3 . 1 . . . . . . . . 4089 1 1189 . 1 1 100 100 VAL CG1 C 13 21.1 0.3 . 1 . . . . . . . . 4089 1 1190 . 1 1 100 100 VAL CG2 C 13 20.4 0.3 . 1 . . . . . . . . 4089 1 1191 . 1 1 100 100 VAL N N 15 122.4 0.2 . 1 . . . . . . . . 4089 1 1192 . 1 1 101 101 PRO HA H 1 4.64 0.01 . 1 . . . . . . . . 4089 1 1193 . 1 1 101 101 PRO HB2 H 1 1.87 0.01 . 1 . . . . . . . . 4089 1 1194 . 1 1 101 101 PRO HB3 H 1 2.15 0.01 . 1 . . . . . . . . 4089 1 1195 . 1 1 101 101 PRO HG2 H 1 2.14 0.01 . 2 . . . . . . . . 4089 1 1196 . 1 1 101 101 PRO HG3 H 1 1.92 0.01 . 2 . . . . . . . . 4089 1 1197 . 1 1 101 101 PRO HD2 H 1 3.39 0.01 . 1 . . . . . . . . 4089 1 1198 . 1 1 101 101 PRO HD3 H 1 3.72 0.01 . 1 . . . . . . . . 4089 1 1199 . 1 1 101 101 PRO CA C 13 63.0 0.3 . 1 . . . . . . . . 4089 1 1200 . 1 1 101 101 PRO CB C 13 31.4 0.3 . 1 . . . . . . . . 4089 1 1201 . 1 1 101 101 PRO CG C 13 27.9 0.3 . 1 . . . . . . . . 4089 1 1202 . 1 1 101 101 PRO CD C 13 50.6 0.3 . 1 . . . . . . . . 4089 1 1203 . 1 1 102 102 ARG H H 1 8.32 0.01 . 1 . . . . . . . . 4089 1 1204 . 1 1 102 102 ARG HA H 1 4.48 0.01 . 1 . . . . . . . . 4089 1 1205 . 1 1 102 102 ARG HB2 H 1 1.65 0.01 . 1 . . . . . . . . 4089 1 1206 . 1 1 102 102 ARG HB3 H 1 1.45 0.01 . 1 . . . . . . . . 4089 1 1207 . 1 1 102 102 ARG HG2 H 1 1.66 0.01 . 1 . . . . . . . . 4089 1 1208 . 1 1 102 102 ARG HG3 H 1 1.75 0.01 . 1 . . . . . . . . 4089 1 1209 . 1 1 102 102 ARG HD2 H 1 2.62 0.01 . 1 . . . . . . . . 4089 1 1210 . 1 1 102 102 ARG HD3 H 1 3.16 0.01 . 1 . . . . . . . . 4089 1 1211 . 1 1 102 102 ARG HE H 1 6.28 0.01 . 1 . . . . . . . . 4089 1 1212 . 1 1 102 102 ARG HH11 H 1 10.30 0.01 . 1 . . . . . . . . 4089 1 1213 . 1 1 102 102 ARG HH12 H 1 10.30 0.01 . 1 . . . . . . . . 4089 1 1214 . 1 1 102 102 ARG HH21 H 1 7.73 0.01 . 1 . . . . . . . . 4089 1 1215 . 1 1 102 102 ARG HH22 H 1 9.43 0.01 . 1 . . . . . . . . 4089 1 1216 . 1 1 102 102 ARG CA C 13 53.1 0.3 . 1 . . . . . . . . 4089 1 1217 . 1 1 102 102 ARG CB C 13 35.3 0.3 . 1 . . . . . . . . 4089 1 1218 . 1 1 102 102 ARG CG C 13 26.5 0.3 . 1 . . . . . . . . 4089 1 1219 . 1 1 102 102 ARG CD C 13 43.5 0.3 . 1 . . . . . . . . 4089 1 1220 . 1 1 102 102 ARG N N 15 120.8 0.2 . 1 . . . . . . . . 4089 1 1221 . 1 1 102 102 ARG NE N 15 66.0 0.5 . 1 . . . . . . . . 4089 1 1222 . 1 1 102 102 ARG NH1 N 15 85.0 0.5 . 1 . . . . . . . . 4089 1 1223 . 1 1 102 102 ARG NH2 N 15 70.0 0.5 . 1 . . . . . . . . 4089 1 1224 . 1 1 103 103 ALA H H 1 8.64 0.01 . 1 . . . . . . . . 4089 1 1225 . 1 1 103 103 ALA HA H 1 4.65 0.01 . 1 . . . . . . . . 4089 1 1226 . 1 1 103 103 ALA HB1 H 1 1.23 0.01 . 1 . . . . . . . . 4089 1 1227 . 1 1 103 103 ALA HB2 H 1 1.23 0.01 . 1 . . . . . . . . 4089 1 1228 . 1 1 103 103 ALA HB3 H 1 1.23 0.01 . 1 . . . . . . . . 4089 1 1229 . 1 1 103 103 ALA CA C 13 51.6 0.3 . 1 . . . . . . . . 4089 1 1230 . 1 1 103 103 ALA CB C 13 18.7 0.3 . 1 . . . . . . . . 4089 1 1231 . 1 1 103 103 ALA N N 15 120.5 0.2 . 1 . . . . . . . . 4089 1 1232 . 1 1 104 104 GLU H H 1 7.07 0.01 . 1 . . . . . . . . 4089 1 1233 . 1 1 104 104 GLU HA H 1 4.03 0.01 . 1 . . . . . . . . 4089 1 1234 . 1 1 104 104 GLU HB2 H 1 1.79 0.01 . 1 . . . . . . . . 4089 1 1235 . 1 1 104 104 GLU HB3 H 1 2.08 0.01 . 1 . . . . . . . . 4089 1 1236 . 1 1 104 104 GLU HG2 H 1 2.20 0.01 . 2 . . . . . . . . 4089 1 1237 . 1 1 104 104 GLU HG3 H 1 2.32 0.01 . 2 . . . . . . . . 4089 1 1238 . 1 1 104 104 GLU CA C 13 57.3 0.3 . 1 . . . . . . . . 4089 1 1239 . 1 1 104 104 GLU CB C 13 31.8 0.3 . 1 . . . . . . . . 4089 1 1240 . 1 1 104 104 GLU CG C 13 36.7 0.3 . 1 . . . . . . . . 4089 1 1241 . 1 1 104 104 GLU N N 15 118.2 0.2 . 1 . . . . . . . . 4089 1 1242 . 1 1 105 105 LYS H H 1 8.09 0.01 . 1 . . . . . . . . 4089 1 1243 . 1 1 105 105 LYS HA H 1 5.20 0.01 . 1 . . . . . . . . 4089 1 1244 . 1 1 105 105 LYS HB2 H 1 1.60 0.01 . 1 . . . . . . . . 4089 1 1245 . 1 1 105 105 LYS HB3 H 1 1.72 0.01 . 1 . . . . . . . . 4089 1 1246 . 1 1 105 105 LYS HG2 H 1 1.21 0.01 . 1 . . . . . . . . 4089 1 1247 . 1 1 105 105 LYS HG3 H 1 1.21 0.01 . 1 . . . . . . . . 4089 1 1248 . 1 1 105 105 LYS HD2 H 1 1.28 0.01 . 2 . . . . . . . . 4089 1 1249 . 1 1 105 105 LYS HD3 H 1 1.32 0.01 . 2 . . . . . . . . 4089 1 1250 . 1 1 105 105 LYS HE2 H 1 2.86 0.01 . 1 . . . . . . . . 4089 1 1251 . 1 1 105 105 LYS HE3 H 1 2.86 0.01 . 1 . . . . . . . . 4089 1 1252 . 1 1 105 105 LYS CA C 13 54.5 0.3 . 1 . . . . . . . . 4089 1 1253 . 1 1 105 105 LYS CB C 13 35.7 0.3 . 1 . . . . . . . . 4089 1 1254 . 1 1 105 105 LYS CG C 13 18.0 0.3 . 1 . . . . . . . . 4089 1 1255 . 1 1 105 105 LYS CD C 13 25.0 0.3 . 1 . . . . . . . . 4089 1 1256 . 1 1 105 105 LYS CE C 13 41.7 0.3 . 1 . . . . . . . . 4089 1 1257 . 1 1 105 105 LYS N N 15 112.7 0.2 . 1 . . . . . . . . 4089 1 1258 . 1 1 106 106 VAL H H 1 8.48 0.01 . 1 . . . . . . . . 4089 1 1259 . 1 1 106 106 VAL HA H 1 5.20 0.01 . 1 . . . . . . . . 4089 1 1260 . 1 1 106 106 VAL HB H 1 2.02 0.01 . 1 . . . . . . . . 4089 1 1261 . 1 1 106 106 VAL HG11 H 1 0.72 0.01 . 1 . . . . . . . . 4089 1 1262 . 1 1 106 106 VAL HG12 H 1 0.72 0.01 . 1 . . . . . . . . 4089 1 1263 . 1 1 106 106 VAL HG13 H 1 0.72 0.01 . 1 . . . . . . . . 4089 1 1264 . 1 1 106 106 VAL HG21 H 1 0.81 0.01 . 1 . . . . . . . . 4089 1 1265 . 1 1 106 106 VAL HG22 H 1 0.81 0.01 . 1 . . . . . . . . 4089 1 1266 . 1 1 106 106 VAL HG23 H 1 0.81 0.01 . 1 . . . . . . . . 4089 1 1267 . 1 1 106 106 VAL CA C 13 58.4 0.3 . 1 . . . . . . . . 4089 1 1268 . 1 1 106 106 VAL CB C 13 36.0 0.3 . 1 . . . . . . . . 4089 1 1269 . 1 1 106 106 VAL CG1 C 13 19.0 0.3 . 1 . . . . . . . . 4089 1 1270 . 1 1 106 106 VAL CG2 C 13 22.6 0.3 . 1 . . . . . . . . 4089 1 1271 . 1 1 106 106 VAL N N 15 109.6 0.2 . 1 . . . . . . . . 4089 1 1272 . 1 1 107 107 LYS H H 1 8.55 0.01 . 1 . . . . . . . . 4089 1 1273 . 1 1 107 107 LYS HA H 1 5.48 0.01 . 1 . . . . . . . . 4089 1 1274 . 1 1 107 107 LYS HB2 H 1 1.70 0.01 . 1 . . . . . . . . 4089 1 1275 . 1 1 107 107 LYS HB3 H 1 1.77 0.01 . 1 . . . . . . . . 4089 1 1276 . 1 1 107 107 LYS HG2 H 1 1.30 0.01 . 2 . . . . . . . . 4089 1 1277 . 1 1 107 107 LYS HG3 H 1 1.20 0.01 . 2 . . . . . . . . 4089 1 1278 . 1 1 107 107 LYS HD2 H 1 1.60 0.01 . 1 . . . . . . . . 4089 1 1279 . 1 1 107 107 LYS HD3 H 1 1.60 0.01 . 1 . . . . . . . . 4089 1 1280 . 1 1 107 107 LYS HE2 H 1 2.78 0.01 . 1 . . . . . . . . 4089 1 1281 . 1 1 107 107 LYS HE3 H 1 2.78 0.01 . 1 . . . . . . . . 4089 1 1282 . 1 1 107 107 LYS CA C 13 55.2 0.3 . 1 . . . . . . . . 4089 1 1283 . 1 1 107 107 LYS CB C 13 36.0 0.3 . 1 . . . . . . . . 4089 1 1284 . 1 1 107 107 LYS CG C 13 25.8 0.3 . 1 . . . . . . . . 4089 1 1285 . 1 1 107 107 LYS CE C 13 42.1 0.3 . 1 . . . . . . . . 4089 1 1286 . 1 1 107 107 LYS N N 15 120.2 0.2 . 1 . . . . . . . . 4089 1 1287 . 1 1 108 108 ILE H H 1 9.09 0.01 . 1 . . . . . . . . 4089 1 1288 . 1 1 108 108 ILE HA H 1 5.39 0.01 . 1 . . . . . . . . 4089 1 1289 . 1 1 108 108 ILE HB H 1 1.82 0.01 . 1 . . . . . . . . 4089 1 1290 . 1 1 108 108 ILE HG12 H 1 1.57 0.01 . 2 . . . . . . . . 4089 1 1291 . 1 1 108 108 ILE HG13 H 1 1.40 0.01 . 2 . . . . . . . . 4089 1 1292 . 1 1 108 108 ILE HG21 H 1 0.82 0.01 . 1 . . . . . . . . 4089 1 1293 . 1 1 108 108 ILE HG22 H 1 0.82 0.01 . 1 . . . . . . . . 4089 1 1294 . 1 1 108 108 ILE HG23 H 1 0.82 0.01 . 1 . . . . . . . . 4089 1 1295 . 1 1 108 108 ILE HD11 H 1 0.70 0.01 . 1 . . . . . . . . 4089 1 1296 . 1 1 108 108 ILE HD12 H 1 0.70 0.01 . 1 . . . . . . . . 4089 1 1297 . 1 1 108 108 ILE HD13 H 1 0.70 0.01 . 1 . . . . . . . . 4089 1 1298 . 1 1 108 108 ILE CA C 13 57.7 0.3 . 1 . . . . . . . . 4089 1 1299 . 1 1 108 108 ILE CB C 13 42.4 0.3 . 1 . . . . . . . . 4089 1 1300 . 1 1 108 108 ILE CG1 C 13 26.8 0.3 . 1 . . . . . . . . 4089 1 1301 . 1 1 108 108 ILE CG2 C 13 19.0 0.3 . 1 . . . . . . . . 4089 1 1302 . 1 1 108 108 ILE CD1 C 13 15.5 0.3 . 1 . . . . . . . . 4089 1 1303 . 1 1 108 108 ILE N N 15 118.7 0.2 . 1 . . . . . . . . 4089 1 1304 . 1 1 109 109 ARG H H 1 8.54 0.01 . 1 . . . . . . . . 4089 1 1305 . 1 1 109 109 ARG HA H 1 5.20 0.01 . 1 . . . . . . . . 4089 1 1306 . 1 1 109 109 ARG HB2 H 1 1.68 0.01 . 1 . . . . . . . . 4089 1 1307 . 1 1 109 109 ARG HB3 H 1 1.75 0.01 . 1 . . . . . . . . 4089 1 1308 . 1 1 109 109 ARG HG2 H 1 1.53 0.01 . 2 . . . . . . . . 4089 1 1309 . 1 1 109 109 ARG HG3 H 1 1.59 0.01 . 2 . . . . . . . . 4089 1 1310 . 1 1 109 109 ARG HD2 H 1 3.18 0.01 . 1 . . . . . . . . 4089 1 1311 . 1 1 109 109 ARG HD3 H 1 3.18 0.01 . 1 . . . . . . . . 4089 1 1312 . 1 1 109 109 ARG HE H 1 8.35 0.01 . 1 . . . . . . . . 4089 1 1313 . 1 1 109 109 ARG CA C 13 54.1 0.3 . 1 . . . . . . . . 4089 1 1314 . 1 1 109 109 ARG CB C 13 33.9 0.3 . 1 . . . . . . . . 4089 1 1315 . 1 1 109 109 ARG CG C 13 27.2 0.3 . 1 . . . . . . . . 4089 1 1316 . 1 1 109 109 ARG CD C 13 43.5 0.3 . 1 . . . . . . . . 4089 1 1317 . 1 1 109 109 ARG N N 15 118.1 0.2 . 1 . . . . . . . . 4089 1 1318 . 1 1 109 109 ARG NE N 15 83.0 0.5 . 1 . . . . . . . . 4089 1 1319 . 1 1 110 110 ALA H H 1 8.35 0.01 . 1 . . . . . . . . 4089 1 1320 . 1 1 110 110 ALA HA H 1 4.43 0.01 . 1 . . . . . . . . 4089 1 1321 . 1 1 110 110 ALA HB1 H 1 1.02 0.01 . 1 . . . . . . . . 4089 1 1322 . 1 1 110 110 ALA HB2 H 1 1.02 0.01 . 1 . . . . . . . . 4089 1 1323 . 1 1 110 110 ALA HB3 H 1 1.02 0.01 . 1 . . . . . . . . 4089 1 1324 . 1 1 110 110 ALA CA C 13 50.9 0.3 . 1 . . . . . . . . 4089 1 1325 . 1 1 110 110 ALA CB C 13 22.6 0.3 . 1 . . . . . . . . 4089 1 1326 . 1 1 110 110 ALA N N 15 122.4 0.2 . 1 . . . . . . . . 4089 1 1327 . 1 1 111 111 LEU H H 1 9.09 0.01 . 1 . . . . . . . . 4089 1 1328 . 1 1 111 111 LEU HA H 1 5.14 0.01 . 1 . . . . . . . . 4089 1 1329 . 1 1 111 111 LEU HB2 H 1 1.70 0.01 . 1 . . . . . . . . 4089 1 1330 . 1 1 111 111 LEU HB3 H 1 1.12 0.01 . 1 . . . . . . . . 4089 1 1331 . 1 1 111 111 LEU HG H 1 1.60 0.01 . 1 . . . . . . . . 4089 1 1332 . 1 1 111 111 LEU HD11 H 1 0.69 0.01 . 1 . . . . . . . . 4089 1 1333 . 1 1 111 111 LEU HD12 H 1 0.69 0.01 . 1 . . . . . . . . 4089 1 1334 . 1 1 111 111 LEU HD13 H 1 0.69 0.01 . 1 . . . . . . . . 4089 1 1335 . 1 1 111 111 LEU HD21 H 1 0.81 0.01 . 1 . . . . . . . . 4089 1 1336 . 1 1 111 111 LEU HD22 H 1 0.81 0.01 . 1 . . . . . . . . 4089 1 1337 . 1 1 111 111 LEU HD23 H 1 0.81 0.01 . 1 . . . . . . . . 4089 1 1338 . 1 1 111 111 LEU CA C 13 53.4 0.3 . 1 . . . . . . . . 4089 1 1339 . 1 1 111 111 LEU CB C 13 43.8 0.3 . 1 . . . . . . . . 4089 1 1340 . 1 1 111 111 LEU CG C 13 29.3 0.3 . 1 . . . . . . . . 4089 1 1341 . 1 1 111 111 LEU CD1 C 13 22.2 0.3 . 1 . . . . . . . . 4089 1 1342 . 1 1 111 111 LEU CD2 C 13 25.0 0.3 . 1 . . . . . . . . 4089 1 1343 . 1 1 111 111 LEU N N 15 114.2 0.2 . 1 . . . . . . . . 4089 1 1344 . 1 1 112 112 ASP H H 1 8.48 0.01 . 1 . . . . . . . . 4089 1 1345 . 1 1 112 112 ASP HA H 1 4.83 0.01 . 1 . . . . . . . . 4089 1 1346 . 1 1 112 112 ASP HB2 H 1 3.40 0.01 . 1 . . . . . . . . 4089 1 1347 . 1 1 112 112 ASP HB3 H 1 2.76 0.01 . 1 . . . . . . . . 4089 1 1348 . 1 1 112 112 ASP CA C 13 52.0 0.3 . 1 . . . . . . . . 4089 1 1349 . 1 1 112 112 ASP CB C 13 41.4 0.3 . 1 . . . . . . . . 4089 1 1350 . 1 1 112 112 ASP N N 15 117.1 0.2 . 1 . . . . . . . . 4089 1 1351 . 1 1 113 113 ARG H H 1 8.05 0.01 . 1 . . . . . . . . 4089 1 1352 . 1 1 113 113 ARG HA H 1 3.84 0.01 . 1 . . . . . . . . 4089 1 1353 . 1 1 113 113 ARG HB2 H 1 1.78 0.01 . 1 . . . . . . . . 4089 1 1354 . 1 1 113 113 ARG HB3 H 1 1.92 0.01 . 1 . . . . . . . . 4089 1 1355 . 1 1 113 113 ARG HG2 H 1 1.42 0.01 . 2 . . . . . . . . 4089 1 1356 . 1 1 113 113 ARG HG3 H 1 1.94 0.01 . 2 . . . . . . . . 4089 1 1357 . 1 1 113 113 ARG HD2 H 1 3.09 0.01 . 2 . . . . . . . . 4089 1 1358 . 1 1 113 113 ARG HD3 H 1 3.24 0.01 . 2 . . . . . . . . 4089 1 1359 . 1 1 113 113 ARG CA C 13 58.7 0.3 . 1 . . . . . . . . 4089 1 1360 . 1 1 113 113 ARG CB C 13 30.4 0.3 . 1 . . . . . . . . 4089 1 1361 . 1 1 113 113 ARG CG C 13 27.9 0.3 . 1 . . . . . . . . 4089 1 1362 . 1 1 113 113 ARG CD C 13 43.5 0.3 . 1 . . . . . . . . 4089 1 1363 . 1 1 113 113 ARG N N 15 112.1 0.2 . 1 . . . . . . . . 4089 1 1364 . 1 1 114 114 ASP H H 1 8.07 0.01 . 1 . . . . . . . . 4089 1 1365 . 1 1 114 114 ASP HA H 1 4.70 0.01 . 1 . . . . . . . . 4089 1 1366 . 1 1 114 114 ASP HB2 H 1 2.70 0.01 . 1 . . . . . . . . 4089 1 1367 . 1 1 114 114 ASP HB3 H 1 2.85 0.01 . 1 . . . . . . . . 4089 1 1368 . 1 1 114 114 ASP CA C 13 54.1 0.3 . 1 . . . . . . . . 4089 1 1369 . 1 1 114 114 ASP CB C 13 42.4 0.3 . 1 . . . . . . . . 4089 1 1370 . 1 1 114 114 ASP N N 15 111.7 0.2 . 1 . . . . . . . . 4089 1 1371 . 1 1 115 115 GLY H H 1 8.68 0.01 . 1 . . . . . . . . 4089 1 1372 . 1 1 115 115 GLY HA2 H 1 3.51 0.01 . 1 . . . . . . . . 4089 1 1373 . 1 1 115 115 GLY HA3 H 1 4.22 0.01 . 1 . . . . . . . . 4089 1 1374 . 1 1 115 115 GLY CA C 13 45.6 0.3 . 1 . . . . . . . . 4089 1 1375 . 1 1 115 115 GLY N N 15 107.2 0.2 . 1 . . . . . . . . 4089 1 1376 . 1 1 116 116 LYS H H 1 8.66 0.01 . 1 . . . . . . . . 4089 1 1377 . 1 1 116 116 LYS HA H 1 4.83 0.01 . 1 . . . . . . . . 4089 1 1378 . 1 1 116 116 LYS HB2 H 1 2.09 0.01 . 1 . . . . . . . . 4089 1 1379 . 1 1 116 116 LYS HB3 H 1 1.93 0.01 . 1 . . . . . . . . 4089 1 1380 . 1 1 116 116 LYS HG2 H 1 1.46 0.01 . 2 . . . . . . . . 4089 1 1381 . 1 1 116 116 LYS HG3 H 1 1.50 0.01 . 2 . . . . . . . . 4089 1 1382 . 1 1 116 116 LYS HD2 H 1 1.78 0.01 . 1 . . . . . . . . 4089 1 1383 . 1 1 116 116 LYS HD3 H 1 1.78 0.01 . 1 . . . . . . . . 4089 1 1384 . 1 1 116 116 LYS HE2 H 1 3.05 0.01 . 1 . . . . . . . . 4089 1 1385 . 1 1 116 116 LYS HE3 H 1 3.05 0.01 . 1 . . . . . . . . 4089 1 1386 . 1 1 116 116 LYS CA C 13 53.1 0.3 . 1 . . . . . . . . 4089 1 1387 . 1 1 116 116 LYS CB C 13 32.1 0.3 . 1 . . . . . . . . 4089 1 1388 . 1 1 116 116 LYS CG C 13 24.7 0.3 . 1 . . . . . . . . 4089 1 1389 . 1 1 116 116 LYS CD C 13 28.9 0.3 . 1 . . . . . . . . 4089 1 1390 . 1 1 116 116 LYS CE C 13 42.1 0.3 . 1 . . . . . . . . 4089 1 1391 . 1 1 116 116 LYS N N 15 120.9 0.2 . 1 . . . . . . . . 4089 1 1392 . 1 1 117 117 PRO HA H 1 5.37 0.01 . 1 . . . . . . . . 4089 1 1393 . 1 1 117 117 PRO HB2 H 1 2.12 0.01 . 1 . . . . . . . . 4089 1 1394 . 1 1 117 117 PRO HB3 H 1 1.92 0.01 . 1 . . . . . . . . 4089 1 1395 . 1 1 117 117 PRO HG2 H 1 2.00 0.01 . 2 . . . . . . . . 4089 1 1396 . 1 1 117 117 PRO HG3 H 1 2.16 0.01 . 2 . . . . . . . . 4089 1 1397 . 1 1 117 117 PRO HD2 H 1 3.80 0.01 . 1 . . . . . . . . 4089 1 1398 . 1 1 117 117 PRO HD3 H 1 3.98 0.01 . 1 . . . . . . . . 4089 1 1399 . 1 1 117 117 PRO CA C 13 62.3 0.3 . 1 . . . . . . . . 4089 1 1400 . 1 1 117 117 PRO CB C 13 32.5 0.3 . 1 . . . . . . . . 4089 1 1401 . 1 1 117 117 PRO CG C 13 27.5 0.3 . 1 . . . . . . . . 4089 1 1402 . 1 1 117 117 PRO CD C 13 50.9 0.3 . 1 . . . . . . . . 4089 1 1403 . 1 1 118 118 PHE H H 1 9.24 0.01 . 1 . . . . . . . . 4089 1 1404 . 1 1 118 118 PHE HA H 1 4.97 0.01 . 1 . . . . . . . . 4089 1 1405 . 1 1 118 118 PHE HB2 H 1 3.09 0.01 . 1 . . . . . . . . 4089 1 1406 . 1 1 118 118 PHE HB3 H 1 3.31 0.01 . 1 . . . . . . . . 4089 1 1407 . 1 1 118 118 PHE HD1 H 1 7.20 0.01 . 1 . . . . . . . . 4089 1 1408 . 1 1 118 118 PHE HD2 H 1 7.20 0.01 . 1 . . . . . . . . 4089 1 1409 . 1 1 118 118 PHE HE1 H 1 7.10 0.01 . 1 . . . . . . . . 4089 1 1410 . 1 1 118 118 PHE HE2 H 1 7.10 0.01 . 1 . . . . . . . . 4089 1 1411 . 1 1 118 118 PHE HZ H 1 7.37 0.01 . 1 . . . . . . . . 4089 1 1412 . 1 1 118 118 PHE CA C 13 56.3 0.3 . 1 . . . . . . . . 4089 1 1413 . 1 1 118 118 PHE CB C 13 41.4 0.3 . 1 . . . . . . . . 4089 1 1414 . 1 1 118 118 PHE N N 15 116.8 0.2 . 1 . . . . . . . . 4089 1 1415 . 1 1 119 119 GLU H H 1 8.30 0.01 . 1 . . . . . . . . 4089 1 1416 . 1 1 119 119 GLU HA H 1 5.23 0.01 . 1 . . . . . . . . 4089 1 1417 . 1 1 119 119 GLU HB2 H 1 1.84 0.01 . 2 . . . . . . . . 4089 1 1418 . 1 1 119 119 GLU HB3 H 1 1.88 0.01 . 2 . . . . . . . . 4089 1 1419 . 1 1 119 119 GLU HG2 H 1 2.09 0.01 . 2 . . . . . . . . 4089 1 1420 . 1 1 119 119 GLU HG3 H 1 2.25 0.01 . 2 . . . . . . . . 4089 1 1421 . 1 1 119 119 GLU CA C 13 54.1 0.3 . 1 . . . . . . . . 4089 1 1422 . 1 1 119 119 GLU CB C 13 33.2 0.3 . 1 . . . . . . . . 4089 1 1423 . 1 1 119 119 GLU CG C 13 36.7 0.3 . 1 . . . . . . . . 4089 1 1424 . 1 1 119 119 GLU N N 15 115.5 0.2 . 1 . . . . . . . . 4089 1 1425 . 1 1 120 120 LEU H H 1 8.79 0.01 . 1 . . . . . . . . 4089 1 1426 . 1 1 120 120 LEU HA H 1 4.82 0.01 . 1 . . . . . . . . 4089 1 1427 . 1 1 120 120 LEU HB2 H 1 1.58 0.01 . 1 . . . . . . . . 4089 1 1428 . 1 1 120 120 LEU HB3 H 1 1.63 0.01 . 1 . . . . . . . . 4089 1 1429 . 1 1 120 120 LEU HG H 1 1.46 0.01 . 1 . . . . . . . . 4089 1 1430 . 1 1 120 120 LEU HD11 H 1 0.89 0.01 . 1 . . . . . . . . 4089 1 1431 . 1 1 120 120 LEU HD12 H 1 0.89 0.01 . 1 . . . . . . . . 4089 1 1432 . 1 1 120 120 LEU HD13 H 1 0.89 0.01 . 1 . . . . . . . . 4089 1 1433 . 1 1 120 120 LEU HD21 H 1 1.02 0.01 . 1 . . . . . . . . 4089 1 1434 . 1 1 120 120 LEU HD22 H 1 1.02 0.01 . 1 . . . . . . . . 4089 1 1435 . 1 1 120 120 LEU HD23 H 1 1.02 0.01 . 1 . . . . . . . . 4089 1 1436 . 1 1 120 120 LEU CA C 13 54.5 0.3 . 1 . . . . . . . . 4089 1 1437 . 1 1 120 120 LEU CB C 13 47.0 0.3 . 1 . . . . . . . . 4089 1 1438 . 1 1 120 120 LEU CG C 13 27.2 0.3 . 1 . . . . . . . . 4089 1 1439 . 1 1 120 120 LEU CD1 C 13 27.2 0.3 . 1 . . . . . . . . 4089 1 1440 . 1 1 120 120 LEU CD2 C 13 22.6 0.3 . 1 . . . . . . . . 4089 1 1441 . 1 1 120 120 LEU N N 15 121.8 0.2 . 1 . . . . . . . . 4089 1 1442 . 1 1 121 121 GLU H H 1 8.62 0.01 . 1 . . . . . . . . 4089 1 1443 . 1 1 121 121 GLU HA H 1 5.14 0.01 . 1 . . . . . . . . 4089 1 1444 . 1 1 121 121 GLU HB2 H 1 2.05 0.01 . 1 . . . . . . . . 4089 1 1445 . 1 1 121 121 GLU HB3 H 1 1.89 0.01 . 1 . . . . . . . . 4089 1 1446 . 1 1 121 121 GLU HG2 H 1 2.18 0.01 . 2 . . . . . . . . 4089 1 1447 . 1 1 121 121 GLU HG3 H 1 2.05 0.01 . 2 . . . . . . . . 4089 1 1448 . 1 1 121 121 GLU CA C 13 55.2 0.3 . 1 . . . . . . . . 4089 1 1449 . 1 1 121 121 GLU CB C 13 31.4 0.3 . 1 . . . . . . . . 4089 1 1450 . 1 1 121 121 GLU CG C 13 37.1 0.3 . 1 . . . . . . . . 4089 1 1451 . 1 1 121 121 GLU N N 15 124.5 0.2 . 1 . . . . . . . . 4089 1 1452 . 1 1 122 122 ALA H H 1 9.04 0.01 . 1 . . . . . . . . 4089 1 1453 . 1 1 122 122 ALA HA H 1 4.92 0.01 . 1 . . . . . . . . 4089 1 1454 . 1 1 122 122 ALA HB1 H 1 1.14 0.01 . 1 . . . . . . . . 4089 1 1455 . 1 1 122 122 ALA HB2 H 1 1.14 0.01 . 1 . . . . . . . . 4089 1 1456 . 1 1 122 122 ALA HB3 H 1 1.14 0.01 . 1 . . . . . . . . 4089 1 1457 . 1 1 122 122 ALA CA C 13 50.2 0.3 . 1 . . . . . . . . 4089 1 1458 . 1 1 122 122 ALA CB C 13 23.3 0.3 . 1 . . . . . . . . 4089 1 1459 . 1 1 122 122 ALA N N 15 123.9 0.2 . 1 . . . . . . . . 4089 1 1460 . 1 1 123 123 ASP H H 1 8.28 0.01 . 1 . . . . . . . . 4089 1 1461 . 1 1 123 123 ASP HA H 1 5.42 0.01 . 1 . . . . . . . . 4089 1 1462 . 1 1 123 123 ASP HB2 H 1 2.98 0.01 . 1 . . . . . . . . 4089 1 1463 . 1 1 123 123 ASP HB3 H 1 2.63 0.01 . 1 . . . . . . . . 4089 1 1464 . 1 1 123 123 ASP CA C 13 52.0 0.3 . 1 . . . . . . . . 4089 1 1465 . 1 1 123 123 ASP CB C 13 43.8 0.3 . 1 . . . . . . . . 4089 1 1466 . 1 1 123 123 ASP N N 15 118.2 0.2 . 1 . . . . . . . . 4089 1 1467 . 1 1 124 124 GLY H H 1 8.28 0.01 . 1 . . . . . . . . 4089 1 1468 . 1 1 124 124 GLY HA2 H 1 3.85 0.01 . 1 . . . . . . . . 4089 1 1469 . 1 1 124 124 GLY HA3 H 1 4.02 0.01 . 1 . . . . . . . . 4089 1 1470 . 1 1 124 124 GLY CA C 13 46.7 0.3 . 1 . . . . . . . . 4089 1 1471 . 1 1 124 124 GLY N N 15 104.4 0.2 . 1 . . . . . . . . 4089 1 1472 . 1 1 125 125 LEU H H 1 8.65 0.01 . 1 . . . . . . . . 4089 1 1473 . 1 1 125 125 LEU HA H 1 4.05 0.01 . 1 . . . . . . . . 4089 1 1474 . 1 1 125 125 LEU HB2 H 1 1.79 0.01 . 1 . . . . . . . . 4089 1 1475 . 1 1 125 125 LEU HB3 H 1 1.68 0.01 . 1 . . . . . . . . 4089 1 1476 . 1 1 125 125 LEU HG H 1 1.56 0.01 . 1 . . . . . . . . 4089 1 1477 . 1 1 125 125 LEU HD11 H 1 0.93 0.01 . 1 . . . . . . . . 4089 1 1478 . 1 1 125 125 LEU HD12 H 1 0.93 0.01 . 1 . . . . . . . . 4089 1 1479 . 1 1 125 125 LEU HD13 H 1 0.93 0.01 . 1 . . . . . . . . 4089 1 1480 . 1 1 125 125 LEU HD21 H 1 0.93 0.01 . 1 . . . . . . . . 4089 1 1481 . 1 1 125 125 LEU HD22 H 1 0.93 0.01 . 1 . . . . . . . . 4089 1 1482 . 1 1 125 125 LEU HD23 H 1 0.93 0.01 . 1 . . . . . . . . 4089 1 1483 . 1 1 125 125 LEU CA C 13 57.7 0.3 . 1 . . . . . . . . 4089 1 1484 . 1 1 125 125 LEU CB C 13 42.1 0.3 . 1 . . . . . . . . 4089 1 1485 . 1 1 125 125 LEU CG C 13 27.2 0.3 . 1 . . . . . . . . 4089 1 1486 . 1 1 125 125 LEU CD1 C 13 22.6 0.3 . 1 . . . . . . . . 4089 1 1487 . 1 1 125 125 LEU CD2 C 13 22.6 0.3 . 1 . . . . . . . . 4089 1 1488 . 1 1 125 125 LEU N N 15 123.4 0.2 . 1 . . . . . . . . 4089 1 1489 . 1 1 126 126 LEU H H 1 8.70 0.01 . 1 . . . . . . . . 4089 1 1490 . 1 1 126 126 LEU HA H 1 4.06 0.01 . 1 . . . . . . . . 4089 1 1491 . 1 1 126 126 LEU HB2 H 1 2.08 0.01 . 1 . . . . . . . . 4089 1 1492 . 1 1 126 126 LEU HB3 H 1 1.67 0.01 . 1 . . . . . . . . 4089 1 1493 . 1 1 126 126 LEU HG H 1 1.41 0.01 . 1 . . . . . . . . 4089 1 1494 . 1 1 126 126 LEU HD11 H 1 1.02 0.01 . 1 . . . . . . . . 4089 1 1495 . 1 1 126 126 LEU HD12 H 1 1.02 0.01 . 1 . . . . . . . . 4089 1 1496 . 1 1 126 126 LEU HD13 H 1 1.02 0.01 . 1 . . . . . . . . 4089 1 1497 . 1 1 126 126 LEU HD21 H 1 0.89 0.01 . 1 . . . . . . . . 4089 1 1498 . 1 1 126 126 LEU HD22 H 1 0.89 0.01 . 1 . . . . . . . . 4089 1 1499 . 1 1 126 126 LEU HD23 H 1 0.89 0.01 . 1 . . . . . . . . 4089 1 1500 . 1 1 126 126 LEU CA C 13 58.4 0.3 . 1 . . . . . . . . 4089 1 1501 . 1 1 126 126 LEU CB C 13 40.7 0.3 . 1 . . . . . . . . 4089 1 1502 . 1 1 126 126 LEU CG C 13 27.2 0.3 . 1 . . . . . . . . 4089 1 1503 . 1 1 126 126 LEU CD1 C 13 25.8 0.3 . 1 . . . . . . . . 4089 1 1504 . 1 1 126 126 LEU CD2 C 13 20.8 0.3 . 1 . . . . . . . . 4089 1 1505 . 1 1 126 126 LEU N N 15 116.2 0.2 . 1 . . . . . . . . 4089 1 1506 . 1 1 127 127 ALA H H 1 7.13 0.01 . 1 . . . . . . . . 4089 1 1507 . 1 1 127 127 ALA HA H 1 3.68 0.01 . 1 . . . . . . . . 4089 1 1508 . 1 1 127 127 ALA HB1 H 1 1.20 0.01 . 1 . . . . . . . . 4089 1 1509 . 1 1 127 127 ALA HB2 H 1 1.20 0.01 . 1 . . . . . . . . 4089 1 1510 . 1 1 127 127 ALA HB3 H 1 1.20 0.01 . 1 . . . . . . . . 4089 1 1511 . 1 1 127 127 ALA CA C 13 55.2 0.3 . 1 . . . . . . . . 4089 1 1512 . 1 1 127 127 ALA CB C 13 18.0 0.3 . 1 . . . . . . . . 4089 1 1513 . 1 1 127 127 ALA N N 15 116.2 0.2 . 1 . . . . . . . . 4089 1 1514 . 1 1 128 128 ILE H H 1 7.79 0.01 . 1 . . . . . . . . 4089 1 1515 . 1 1 128 128 ILE HA H 1 3.42 0.01 . 1 . . . . . . . . 4089 1 1516 . 1 1 128 128 ILE HB H 1 2.02 0.01 . 1 . . . . . . . . 4089 1 1517 . 1 1 128 128 ILE HG12 H 1 1.63 0.01 . 1 . . . . . . . . 4089 1 1518 . 1 1 128 128 ILE HG13 H 1 1.00 0.01 . 1 . . . . . . . . 4089 1 1519 . 1 1 128 128 ILE HG21 H 1 0.92 0.01 . 1 . . . . . . . . 4089 1 1520 . 1 1 128 128 ILE HG22 H 1 0.92 0.01 . 1 . . . . . . . . 4089 1 1521 . 1 1 128 128 ILE HG23 H 1 0.92 0.01 . 1 . . . . . . . . 4089 1 1522 . 1 1 128 128 ILE HD11 H 1 0.79 0.01 . 1 . . . . . . . . 4089 1 1523 . 1 1 128 128 ILE HD12 H 1 0.79 0.01 . 1 . . . . . . . . 4089 1 1524 . 1 1 128 128 ILE HD13 H 1 0.79 0.01 . 1 . . . . . . . . 4089 1 1525 . 1 1 128 128 ILE CA C 13 65.8 0.3 . 1 . . . . . . . . 4089 1 1526 . 1 1 128 128 ILE CB C 13 38.2 0.3 . 1 . . . . . . . . 4089 1 1527 . 1 1 128 128 ILE CG1 C 13 28.9 0.3 . 1 . . . . . . . . 4089 1 1528 . 1 1 128 128 ILE CG2 C 13 16.9 0.3 . 1 . . . . . . . . 4089 1 1529 . 1 1 128 128 ILE CD1 C 13 13.3 0.3 . 1 . . . . . . . . 4089 1 1530 . 1 1 128 128 ILE N N 15 119.7 0.2 . 1 . . . . . . . . 4089 1 1531 . 1 1 129 129 CYS H H 1 8.75 0.01 . 1 . . . . . . . . 4089 1 1532 . 1 1 129 129 CYS HA H 1 4.10 0.01 . 1 . . . . . . . . 4089 1 1533 . 1 1 129 129 CYS HB2 H 1 2.88 0.01 . 2 . . . . . . . . 4089 1 1534 . 1 1 129 129 CYS HB3 H 1 2.93 0.01 . 2 . . . . . . . . 4089 1 1535 . 1 1 129 129 CYS CA C 13 63.0 0.3 . 1 . . . . . . . . 4089 1 1536 . 1 1 129 129 CYS CB C 13 26.8 0.3 . 1 . . . . . . . . 4089 1 1537 . 1 1 129 129 CYS N N 15 117.1 0.2 . 1 . . . . . . . . 4089 1 1538 . 1 1 130 130 ILE H H 1 8.66 0.01 . 1 . . . . . . . . 4089 1 1539 . 1 1 130 130 ILE HA H 1 3.33 0.01 . 1 . . . . . . . . 4089 1 1540 . 1 1 130 130 ILE HB H 1 1.74 0.01 . 1 . . . . . . . . 4089 1 1541 . 1 1 130 130 ILE HG12 H 1 0.62 0.01 . 2 . . . . . . . . 4089 1 1542 . 1 1 130 130 ILE HG13 H 1 1.93 0.01 . 2 . . . . . . . . 4089 1 1543 . 1 1 130 130 ILE HG21 H 1 0.59 0.01 . 1 . . . . . . . . 4089 1 1544 . 1 1 130 130 ILE HG22 H 1 0.59 0.01 . 1 . . . . . . . . 4089 1 1545 . 1 1 130 130 ILE HG23 H 1 0.59 0.01 . 1 . . . . . . . . 4089 1 1546 . 1 1 130 130 ILE HD11 H 1 0.63 0.01 . 1 . . . . . . . . 4089 1 1547 . 1 1 130 130 ILE HD12 H 1 0.63 0.01 . 1 . . . . . . . . 4089 1 1548 . 1 1 130 130 ILE HD13 H 1 0.63 0.01 . 1 . . . . . . . . 4089 1 1549 . 1 1 130 130 ILE CA C 13 66.9 0.3 . 1 . . . . . . . . 4089 1 1550 . 1 1 130 130 ILE CB C 13 38.2 0.3 . 1 . . . . . . . . 4089 1 1551 . 1 1 130 130 ILE CG1 C 13 30.4 0.3 . 1 . . . . . . . . 4089 1 1552 . 1 1 130 130 ILE CG2 C 13 14.8 0.3 . 1 . . . . . . . . 4089 1 1553 . 1 1 130 130 ILE N N 15 115.7 0.2 . 1 . . . . . . . . 4089 1 1554 . 1 1 131 131 GLN H H 1 7.49 0.01 . 1 . . . . . . . . 4089 1 1555 . 1 1 131 131 GLN HA H 1 3.88 0.01 . 1 . . . . . . . . 4089 1 1556 . 1 1 131 131 GLN HB2 H 1 2.11 0.01 . 1 . . . . . . . . 4089 1 1557 . 1 1 131 131 GLN HB3 H 1 2.41 0.01 . 1 . . . . . . . . 4089 1 1558 . 1 1 131 131 GLN HG2 H 1 2.13 0.01 . 1 . . . . . . . . 4089 1 1559 . 1 1 131 131 GLN HG3 H 1 2.41 0.01 . 1 . . . . . . . . 4089 1 1560 . 1 1 131 131 GLN HE21 H 1 6.59 0.01 . 2 . . . . . . . . 4089 1 1561 . 1 1 131 131 GLN HE22 H 1 8.31 0.01 . 2 . . . . . . . . 4089 1 1562 . 1 1 131 131 GLN CA C 13 59.8 0.3 . 1 . . . . . . . . 4089 1 1563 . 1 1 131 131 GLN CB C 13 31.4 0.3 . 1 . . . . . . . . 4089 1 1564 . 1 1 131 131 GLN CG C 13 36.7 0.3 . 1 . . . . . . . . 4089 1 1565 . 1 1 131 131 GLN N N 15 115.2 0.2 . 1 . . . . . . . . 4089 1 1566 . 1 1 131 131 GLN NE2 N 15 110.3 0.2 . 1 . . . . . . . . 4089 1 1567 . 1 1 132 132 HIS H H 1 8.69 0.01 . 1 . . . . . . . . 4089 1 1568 . 1 1 132 132 HIS HA H 1 4.04 0.01 . 1 . . . . . . . . 4089 1 1569 . 1 1 132 132 HIS HB2 H 1 3.25 0.01 . 1 . . . . . . . . 4089 1 1570 . 1 1 132 132 HIS HB3 H 1 3.53 0.01 . 1 . . . . . . . . 4089 1 1571 . 1 1 132 132 HIS HD1 H 1 13.86 0.01 . 1 . . . . . . . . 4089 1 1572 . 1 1 132 132 HIS HD2 H 1 6.82 0.01 . 1 . . . . . . . . 4089 1 1573 . 1 1 132 132 HIS HE1 H 1 8.05 0.01 . 1 . . . . . . . . 4089 1 1574 . 1 1 132 132 HIS CA C 13 59.4 0.3 . 1 . . . . . . . . 4089 1 1575 . 1 1 132 132 HIS CB C 13 28.6 0.3 . 1 . . . . . . . . 4089 1 1576 . 1 1 132 132 HIS N N 15 117.1 0.2 . 1 . . . . . . . . 4089 1 1577 . 1 1 132 132 HIS ND1 N 15 172.9 0.5 . 1 . . . . . . . . 4089 1 1578 . 1 1 132 132 HIS NE2 N 15 205.1 0.5 . 1 . . . . . . . . 4089 1 1579 . 1 1 133 133 GLU H H 1 9.19 0.01 . 1 . . . . . . . . 4089 1 1580 . 1 1 133 133 GLU HA H 1 4.83 0.01 . 1 . . . . . . . . 4089 1 1581 . 1 1 133 133 GLU HB2 H 1 1.87 0.01 . 1 . . . . . . . . 4089 1 1582 . 1 1 133 133 GLU HB3 H 1 2.33 0.01 . 1 . . . . . . . . 4089 1 1583 . 1 1 133 133 GLU HG2 H 1 2.03 0.01 . 1 . . . . . . . . 4089 1 1584 . 1 1 133 133 GLU HG3 H 1 2.92 0.01 . 1 . . . . . . . . 4089 1 1585 . 1 1 133 133 GLU CA C 13 58.7 0.3 . 1 . . . . . . . . 4089 1 1586 . 1 1 133 133 GLU CB C 13 29.7 0.3 . 1 . . . . . . . . 4089 1 1587 . 1 1 133 133 GLU CG C 13 32.8 0.3 . 1 . . . . . . . . 4089 1 1588 . 1 1 133 133 GLU N N 15 116.5 0.2 . 1 . . . . . . . . 4089 1 1589 . 1 1 134 134 MET H H 1 8.99 0.01 . 1 . . . . . . . . 4089 1 1590 . 1 1 134 134 MET HA H 1 3.88 0.01 . 1 . . . . . . . . 4089 1 1591 . 1 1 134 134 MET HB2 H 1 2.09 0.01 . 1 . . . . . . . . 4089 1 1592 . 1 1 134 134 MET HB3 H 1 2.28 0.01 . 1 . . . . . . . . 4089 1 1593 . 1 1 134 134 MET HG2 H 1 2.84 0.01 . 1 . . . . . . . . 4089 1 1594 . 1 1 134 134 MET HG3 H 1 2.06 0.01 . 1 . . . . . . . . 4089 1 1595 . 1 1 134 134 MET HE1 H 1 1.92 0.01 . 1 . . . . . . . . 4089 1 1596 . 1 1 134 134 MET HE2 H 1 1.92 0.01 . 1 . . . . . . . . 4089 1 1597 . 1 1 134 134 MET HE3 H 1 1.92 0.01 . 1 . . . . . . . . 4089 1 1598 . 1 1 134 134 MET CA C 13 61.2 0.3 . 1 . . . . . . . . 4089 1 1599 . 1 1 134 134 MET CB C 13 32.1 0.3 . 1 . . . . . . . . 4089 1 1600 . 1 1 134 134 MET CG C 13 34.6 0.3 . 1 . . . . . . . . 4089 1 1601 . 1 1 134 134 MET CE C 13 16.9 0.3 . 1 . . . . . . . . 4089 1 1602 . 1 1 134 134 MET N N 15 116.5 0.2 . 1 . . . . . . . . 4089 1 1603 . 1 1 135 135 ASP H H 1 8.03 0.01 . 1 . . . . . . . . 4089 1 1604 . 1 1 135 135 ASP HA H 1 4.47 0.01 . 1 . . . . . . . . 4089 1 1605 . 1 1 135 135 ASP HB2 H 1 2.36 0.01 . 1 . . . . . . . . 4089 1 1606 . 1 1 135 135 ASP HB3 H 1 3.05 0.01 . 1 . . . . . . . . 4089 1 1607 . 1 1 135 135 ASP CA C 13 56.6 0.3 . 1 . . . . . . . . 4089 1 1608 . 1 1 135 135 ASP CB C 13 38.9 0.3 . 1 . . . . . . . . 4089 1 1609 . 1 1 135 135 ASP N N 15 118.6 0.2 . 1 . . . . . . . . 4089 1 1610 . 1 1 136 136 HIS H H 1 7.39 0.01 . 1 . . . . . . . . 4089 1 1611 . 1 1 136 136 HIS HA H 1 4.65 0.01 . 1 . . . . . . . . 4089 1 1612 . 1 1 136 136 HIS HB2 H 1 3.90 0.01 . 1 . . . . . . . . 4089 1 1613 . 1 1 136 136 HIS HB3 H 1 2.78 0.01 . 1 . . . . . . . . 4089 1 1614 . 1 1 136 136 HIS HD1 H 1 12.80 0.01 . 1 . . . . . . . . 4089 1 1615 . 1 1 136 136 HIS HD2 H 1 7.91 0.01 . 1 . . . . . . . . 4089 1 1616 . 1 1 136 136 HIS HE1 H 1 7.62 0.01 . 1 . . . . . . . . 4089 1 1617 . 1 1 136 136 HIS CA C 13 59.8 0.3 . 1 . . . . . . . . 4089 1 1618 . 1 1 136 136 HIS CB C 13 29.3 0.3 . 1 . . . . . . . . 4089 1 1619 . 1 1 136 136 HIS N N 15 113.8 0.2 . 1 . . . . . . . . 4089 1 1620 . 1 1 136 136 HIS ND1 N 15 165.8 0.5 . 1 . . . . . . . . 4089 1 1621 . 1 1 136 136 HIS NE2 N 15 215.3 0.5 . 1 . . . . . . . . 4089 1 1622 . 1 1 137 137 LEU H H 1 7.29 0.01 . 1 . . . . . . . . 4089 1 1623 . 1 1 137 137 LEU HA H 1 4.59 0.01 . 1 . . . . . . . . 4089 1 1624 . 1 1 137 137 LEU HB2 H 1 2.26 0.01 . 1 . . . . . . . . 4089 1 1625 . 1 1 137 137 LEU HB3 H 1 1.64 0.01 . 1 . . . . . . . . 4089 1 1626 . 1 1 137 137 LEU HG H 1 2.30 0.01 . 1 . . . . . . . . 4089 1 1627 . 1 1 137 137 LEU HD11 H 1 1.26 0.01 . 1 . . . . . . . . 4089 1 1628 . 1 1 137 137 LEU HD12 H 1 1.26 0.01 . 1 . . . . . . . . 4089 1 1629 . 1 1 137 137 LEU HD13 H 1 1.26 0.01 . 1 . . . . . . . . 4089 1 1630 . 1 1 137 137 LEU HD21 H 1 0.91 0.01 . 1 . . . . . . . . 4089 1 1631 . 1 1 137 137 LEU HD22 H 1 0.91 0.01 . 1 . . . . . . . . 4089 1 1632 . 1 1 137 137 LEU HD23 H 1 0.91 0.01 . 1 . . . . . . . . 4089 1 1633 . 1 1 137 137 LEU CA C 13 55.9 0.3 . 1 . . . . . . . . 4089 1 1634 . 1 1 137 137 LEU CB C 13 42.4 0.3 . 1 . . . . . . . . 4089 1 1635 . 1 1 137 137 LEU CG C 13 26.1 0.3 . 1 . . . . . . . . 4089 1 1636 . 1 1 137 137 LEU CD1 C 13 22.2 0.3 . 1 . . . . . . . . 4089 1 1637 . 1 1 137 137 LEU CD2 C 13 25.4 0.3 . 1 . . . . . . . . 4089 1 1638 . 1 1 137 137 LEU N N 15 109.0 0.2 . 1 . . . . . . . . 4089 1 1639 . 1 1 138 138 VAL H H 1 7.61 0.01 . 1 . . . . . . . . 4089 1 1640 . 1 1 138 138 VAL HA H 1 4.75 0.01 . 1 . . . . . . . . 4089 1 1641 . 1 1 138 138 VAL HB H 1 2.67 0.01 . 1 . . . . . . . . 4089 1 1642 . 1 1 138 138 VAL HG11 H 1 1.00 0.01 . 1 . . . . . . . . 4089 1 1643 . 1 1 138 138 VAL HG12 H 1 1.00 0.01 . 1 . . . . . . . . 4089 1 1644 . 1 1 138 138 VAL HG13 H 1 1.00 0.01 . 1 . . . . . . . . 4089 1 1645 . 1 1 138 138 VAL HG21 H 1 1.04 0.01 . 1 . . . . . . . . 4089 1 1646 . 1 1 138 138 VAL HG22 H 1 1.04 0.01 . 1 . . . . . . . . 4089 1 1647 . 1 1 138 138 VAL HG23 H 1 1.04 0.01 . 1 . . . . . . . . 4089 1 1648 . 1 1 138 138 VAL CA C 13 60.2 0.3 . 1 . . . . . . . . 4089 1 1649 . 1 1 138 138 VAL CB C 13 30.4 0.3 . 1 . . . . . . . . 4089 1 1650 . 1 1 138 138 VAL CG1 C 13 21.9 0.3 . 1 . . . . . . . . 4089 1 1651 . 1 1 138 138 VAL CG2 C 13 18.7 0.3 . 1 . . . . . . . . 4089 1 1652 . 1 1 138 138 VAL N N 15 109.3 0.2 . 1 . . . . . . . . 4089 1 1653 . 1 1 139 139 GLY H H 1 8.03 0.01 . 1 . . . . . . . . 4089 1 1654 . 1 1 139 139 GLY HA2 H 1 4.10 0.01 . 2 . . . . . . . . 4089 1 1655 . 1 1 139 139 GLY HA3 H 1 3.74 0.01 . 2 . . . . . . . . 4089 1 1656 . 1 1 139 139 GLY CA C 13 46.3 0.3 . 1 . . . . . . . . 4089 1 1657 . 1 1 139 139 GLY N N 15 107.9 0.2 . 1 . . . . . . . . 4089 1 1658 . 1 1 140 140 LYS H H 1 7.97 0.01 . 1 . . . . . . . . 4089 1 1659 . 1 1 140 140 LYS HA H 1 4.34 0.01 . 1 . . . . . . . . 4089 1 1660 . 1 1 140 140 LYS HB2 H 1 1.51 0.01 . 1 . . . . . . . . 4089 1 1661 . 1 1 140 140 LYS HB3 H 1 1.38 0.01 . 1 . . . . . . . . 4089 1 1662 . 1 1 140 140 LYS HG2 H 1 1.15 0.01 . 2 . . . . . . . . 4089 1 1663 . 1 1 140 140 LYS HG3 H 1 1.35 0.01 . 2 . . . . . . . . 4089 1 1664 . 1 1 140 140 LYS HD2 H 1 1.00 0.01 . 1 . . . . . . . . 4089 1 1665 . 1 1 140 140 LYS HD3 H 1 1.00 0.01 . 1 . . . . . . . . 4089 1 1666 . 1 1 140 140 LYS HE2 H 1 2.55 0.01 . 2 . . . . . . . . 4089 1 1667 . 1 1 140 140 LYS HE3 H 1 2.59 0.01 . 2 . . . . . . . . 4089 1 1668 . 1 1 140 140 LYS CA C 13 55.2 0.3 . 1 . . . . . . . . 4089 1 1669 . 1 1 140 140 LYS CB C 13 34.6 0.3 . 1 . . . . . . . . 4089 1 1670 . 1 1 140 140 LYS CG C 13 24.3 0.3 . 1 . . . . . . . . 4089 1 1671 . 1 1 140 140 LYS CE C 13 41.4 0.3 . 1 . . . . . . . . 4089 1 1672 . 1 1 140 140 LYS N N 15 117.3 0.2 . 1 . . . . . . . . 4089 1 1673 . 1 1 141 141 LEU H H 1 8.07 0.01 . 1 . . . . . . . . 4089 1 1674 . 1 1 141 141 LEU HA H 1 4.41 0.01 . 1 . . . . . . . . 4089 1 1675 . 1 1 141 141 LEU HB2 H 1 1.49 0.01 . 1 . . . . . . . . 4089 1 1676 . 1 1 141 141 LEU HB3 H 1 1.27 0.01 . 1 . . . . . . . . 4089 1 1677 . 1 1 141 141 LEU HG H 1 1.59 0.01 . 1 . . . . . . . . 4089 1 1678 . 1 1 141 141 LEU HD11 H 1 0.95 0.01 . 1 . . . . . . . . 4089 1 1679 . 1 1 141 141 LEU HD12 H 1 0.95 0.01 . 1 . . . . . . . . 4089 1 1680 . 1 1 141 141 LEU HD13 H 1 0.95 0.01 . 1 . . . . . . . . 4089 1 1681 . 1 1 141 141 LEU HD21 H 1 0.80 0.01 . 1 . . . . . . . . 4089 1 1682 . 1 1 141 141 LEU HD22 H 1 0.80 0.01 . 1 . . . . . . . . 4089 1 1683 . 1 1 141 141 LEU HD23 H 1 0.80 0.01 . 1 . . . . . . . . 4089 1 1684 . 1 1 141 141 LEU CA C 13 52.0 0.3 . 1 . . . . . . . . 4089 1 1685 . 1 1 141 141 LEU CB C 13 44.9 0.3 . 1 . . . . . . . . 4089 1 1686 . 1 1 141 141 LEU CG C 13 27.5 0.3 . 1 . . . . . . . . 4089 1 1687 . 1 1 141 141 LEU CD1 C 13 24.3 0.3 . 1 . . . . . . . . 4089 1 1688 . 1 1 141 141 LEU CD2 C 13 24.3 0.3 . 1 . . . . . . . . 4089 1 1689 . 1 1 141 141 LEU N N 15 121.5 0.01 . 1 . . . . . . . . 4089 1 1690 . 1 1 142 142 PHE H H 1 8.66 0.01 . 1 . . . . . . . . 4089 1 1691 . 1 1 142 142 PHE HA H 1 4.57 0.01 . 1 . . . . . . . . 4089 1 1692 . 1 1 142 142 PHE HB2 H 1 3.36 0.01 . 1 . . . . . . . . 4089 1 1693 . 1 1 142 142 PHE HB3 H 1 2.58 0.01 . 1 . . . . . . . . 4089 1 1694 . 1 1 142 142 PHE HD1 H 1 7.08 0.01 . 1 . . . . . . . . 4089 1 1695 . 1 1 142 142 PHE HD2 H 1 7.08 0.01 . 1 . . . . . . . . 4089 1 1696 . 1 1 142 142 PHE HE1 H 1 7.23 0.01 . 1 . . . . . . . . 4089 1 1697 . 1 1 142 142 PHE HE2 H 1 7.23 0.01 . 1 . . . . . . . . 4089 1 1698 . 1 1 142 142 PHE HZ H 1 7.37 0.01 . 1 . . . . . . . . 4089 1 1699 . 1 1 142 142 PHE CA C 13 60.5 0.3 . 1 . . . . . . . . 4089 1 1700 . 1 1 142 142 PHE CB C 13 37.5 0.3 . 1 . . . . . . . . 4089 1 1701 . 1 1 142 142 PHE N N 15 117.2 0.2 . 1 . . . . . . . . 4089 1 1702 . 1 1 143 143 MET H H 1 5.82 0.01 . 1 . . . . . . . . 4089 1 1703 . 1 1 143 143 MET HA H 1 4.14 0.01 . 1 . . . . . . . . 4089 1 1704 . 1 1 143 143 MET HB2 H 1 1.64 0.01 . 1 . . . . . . . . 4089 1 1705 . 1 1 143 143 MET HB3 H 1 1.92 0.01 . 1 . . . . . . . . 4089 1 1706 . 1 1 143 143 MET HG2 H 1 2.20 0.01 . 1 . . . . . . . . 4089 1 1707 . 1 1 143 143 MET HG3 H 1 1.74 0.01 . 1 . . . . . . . . 4089 1 1708 . 1 1 143 143 MET HE1 H 1 2.03 0.01 . 1 . . . . . . . . 4089 1 1709 . 1 1 143 143 MET HE2 H 1 2.03 0.01 . 1 . . . . . . . . 4089 1 1710 . 1 1 143 143 MET HE3 H 1 2.03 0.01 . 1 . . . . . . . . 4089 1 1711 . 1 1 143 143 MET CA C 13 55.5 0.3 . 1 . . . . . . . . 4089 1 1712 . 1 1 143 143 MET CB C 13 31.4 0.3 . 1 . . . . . . . . 4089 1 1713 . 1 1 143 143 MET CG C 13 31.4 0.3 . 1 . . . . . . . . 4089 1 1714 . 1 1 143 143 MET CE C 13 17.2 0.3 . 1 . . . . . . . . 4089 1 1715 . 1 1 143 143 MET N N 15 112.5 0.2 . 1 . . . . . . . . 4089 1 1716 . 1 1 144 144 ASP H H 1 8.06 0.01 . 1 . . . . . . . . 4089 1 1717 . 1 1 144 144 ASP HA H 1 4.24 0.01 . 1 . . . . . . . . 4089 1 1718 . 1 1 144 144 ASP HB2 H 1 2.47 0.01 . 1 . . . . . . . . 4089 1 1719 . 1 1 144 144 ASP HB3 H 1 2.56 0.01 . 1 . . . . . . . . 4089 1 1720 . 1 1 144 144 ASP CA C 13 56.3 0.3 . 1 . . . . . . . . 4089 1 1721 . 1 1 144 144 ASP CB C 13 39.9 0.3 . 1 . . . . . . . . 4089 1 1722 . 1 1 144 144 ASP N N 15 117.9 0.2 . 1 . . . . . . . . 4089 1 1723 . 1 1 145 145 TYR H H 1 7.26 0.01 . 1 . . . . . . . . 4089 1 1724 . 1 1 145 145 TYR HA H 1 4.36 0.01 . 1 . . . . . . . . 4089 1 1725 . 1 1 145 145 TYR HB2 H 1 3.29 0.01 . 1 . . . . . . . . 4089 1 1726 . 1 1 145 145 TYR HB3 H 1 2.91 0.01 . 1 . . . . . . . . 4089 1 1727 . 1 1 145 145 TYR HD1 H 1 7.40 0.01 . 1 . . . . . . . . 4089 1 1728 . 1 1 145 145 TYR HD2 H 1 7.40 0.01 . 1 . . . . . . . . 4089 1 1729 . 1 1 145 145 TYR HE1 H 1 6.78 0.01 . 1 . . . . . . . . 4089 1 1730 . 1 1 145 145 TYR HE2 H 1 6.78 0.01 . 1 . . . . . . . . 4089 1 1731 . 1 1 145 145 TYR CA C 13 59.4 0.3 . 1 . . . . . . . . 4089 1 1732 . 1 1 145 145 TYR CB C 13 38.5 0.3 . 1 . . . . . . . . 4089 1 1733 . 1 1 145 145 TYR N N 15 112.6 0.2 . 1 . . . . . . . . 4089 1 1734 . 1 1 146 146 LEU H H 1 7.37 0.01 . 1 . . . . . . . . 4089 1 1735 . 1 1 146 146 LEU HA H 1 4.55 0.01 . 1 . . . . . . . . 4089 1 1736 . 1 1 146 146 LEU HB2 H 1 1.78 0.01 . 1 . . . . . . . . 4089 1 1737 . 1 1 146 146 LEU HB3 H 1 1.78 0.01 . 1 . . . . . . . . 4089 1 1738 . 1 1 146 146 LEU HG H 1 1.76 0.01 . 1 . . . . . . . . 4089 1 1739 . 1 1 146 146 LEU HD11 H 1 0.93 0.01 . 1 . . . . . . . . 4089 1 1740 . 1 1 146 146 LEU HD12 H 1 0.93 0.01 . 1 . . . . . . . . 4089 1 1741 . 1 1 146 146 LEU HD13 H 1 0.93 0.01 . 1 . . . . . . . . 4089 1 1742 . 1 1 146 146 LEU HD21 H 1 0.93 0.01 . 1 . . . . . . . . 4089 1 1743 . 1 1 146 146 LEU HD22 H 1 0.93 0.01 . 1 . . . . . . . . 4089 1 1744 . 1 1 146 146 LEU HD23 H 1 0.93 0.01 . 1 . . . . . . . . 4089 1 1745 . 1 1 146 146 LEU CA C 13 54.8 0.3 . 1 . . . . . . . . 4089 1 1746 . 1 1 146 146 LEU CB C 13 42.1 0.3 . 1 . . . . . . . . 4089 1 1747 . 1 1 146 146 LEU CG C 13 27.5 0.3 . 1 . . . . . . . . 4089 1 1748 . 1 1 146 146 LEU CD1 C 13 22.6 0.3 . 1 . . . . . . . . 4089 1 1749 . 1 1 146 146 LEU CD2 C 13 22.6 0.3 . 1 . . . . . . . . 4089 1 1750 . 1 1 146 146 LEU N N 15 117.6 0.2 . 1 . . . . . . . . 4089 1 1751 . 1 1 147 147 SER H H 1 7.60 0.01 . 1 . . . . . . . . 4089 1 1752 . 1 1 147 147 SER HA H 1 4.28 0.01 . 1 . . . . . . . . 4089 1 1753 . 1 1 147 147 SER HB2 H 1 3.85 0.01 . 1 . . . . . . . . 4089 1 1754 . 1 1 147 147 SER HB3 H 1 3.85 0.01 . 1 . . . . . . . . 4089 1 1755 . 1 1 147 147 SER CA C 13 60.2 0.3 . 1 . . . . . . . . 4089 1 1756 . 1 1 147 147 SER CB C 13 65.1 0.3 . 1 . . . . . . . . 4089 1 1757 . 1 1 147 147 SER N N 15 118.5 0.2 . 1 . . . . . . . . 4089 1 stop_ save_