data_435 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 435 _Entry.Title ; Complete Resonance Assignment for the Polypeptide Backbone of Interleukin 1beta Using Three-Dimensional Heteronuclear NMR Spectroscopy ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 Paul Driscoll . C. . 435 2 G. Clore . Marius . 435 3 Dominique Marion . . . 435 4 Paul Wingfield . . . 435 5 Angela Gronenborn . M. . 435 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 435 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 144 435 '1H chemical shifts' 757 435 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 5 . . 2010-06-11 . revision BMRB 'Compelte natural source information' 435 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 435 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 435 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 435 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 435 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 435 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Driscoll, Paul C., Clore, G. Marius, Marion, Dominique, Wingfield, Paul, Gronenborn, Angela M., "Complete Resonance Assignment for the Polypeptide Backbone of Interleukin 1beta Using Three-Dimensional Heteronuclear NMR Spectroscopy," Biochemistry 29, 3542-3556 (1990). ; _Citation.Title ; Complete Resonance Assignment for the Polypeptide Backbone of Interleukin 1beta Using Three-Dimensional Heteronuclear NMR Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 29 _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 3542 _Citation.Page_last 3556 _Citation.Year 1990 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Paul Driscoll . C. . 435 1 2 G. Clore . Marius . 435 1 3 Dominique Marion . . . 435 1 4 Paul Wingfield . . . 435 1 5 Angela Gronenborn . M. . 435 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_interleukin_1-beta _Assembly.Sf_category assembly _Assembly.Sf_framecode system_interleukin_1-beta _Assembly.Entry_ID 435 _Assembly.ID 1 _Assembly.Name 'interleukin 1-beta' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'interleukin 1-beta' 1 $interleukin_1-beta . . . . . . . . . 435 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'interleukin 1-beta' system 435 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_interleukin_1-beta _Entity.Sf_category entity _Entity.Sf_framecode interleukin_1-beta _Entity.Entry_ID 435 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'interleukin 1-beta' _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 ; PVRSLNCTLRDSQQKSLVMS GPYELKALHLQGQDMEQQVV FSMSFVQGEESNDKIPVALG LKEKNLYLSCVLKDDKPTLQ LESVDPKNYPKKKMEKRFVF NKIEINNKLEFESAQFPNWY ISTSQAENMPVFLGGTKGGQ DITDFTMQFVSS ; _Entity.Polymer_seq_one_letter_code ; PVRSLNCTLRDSQQKSLVMS GPYELKALHLQGQDMEQQVV FSMSFVQGEESNDKIPVALG LKEKNLYLSCVLKDDKPTLQ LESVDPKNYPKKKMEKRFVF NKIEINNKLEFESAQFPNWY ISTSQAENMPVFLGGTKGGQ DITDFTMQFVSS ; _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 152 _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 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 1061 . "interleukin 1-beta" . . . . . 100.00 153 100.00 100.00 1.38e-106 . . . . 435 1 2 no BMRB 1062 . "interleukin 1-beta" . . . . . 100.00 152 100.00 100.00 1.40e-106 . . . . 435 1 3 no BMRB 2718 . "interleukin 1-beta" . . . . . 100.00 153 100.00 100.00 1.38e-106 . . . . 435 1 4 no BMRB 2719 . "interleukin 1-beta" . . . . . 100.00 153 100.00 100.00 1.38e-106 . . . . 435 1 5 no BMRB 434 . "interleukin 1-beta" . . . . . 100.00 153 100.00 100.00 1.38e-106 . . . . 435 1 6 no PDB 1HIB . "The Structure Of An Interleukin-1 Beta Mutant With Reduced Bioactivity Shows Multiple Subtle Changes In Conformation That Affec" . . . . . 100.00 153 99.34 99.34 1.39e-105 . . . . 435 1 7 no PDB 1I1B . "Crystal Structure Of Recombinant Human Interleukin-1beta At 2.0 Angstroms Resolution" . . . . . 100.00 153 100.00 100.00 1.38e-106 . . . . 435 1 8 no PDB 1IOB . "Interleukin-1 Beta From Joint X-ray And Nmr Refinement" . . . . . 100.00 153 100.00 100.00 1.38e-106 . . . . 435 1 9 no PDB 1ITB . "Type-1 Interleukin-1 Receptor Complexed With Interleukin-1 Beta" . . . . . 100.00 153 100.00 100.00 1.38e-106 . . . . 435 1 10 no PDB 1L2H . "Crystal Structure Of Interleukin 1-Beta F42wW120F MUTANT" . . . . . 100.00 153 98.68 100.00 3.39e-104 . . . . 435 1 11 no PDB 1S0L . "Interleukin 1 Beta Mutant F42w" . . . . . 100.00 153 99.34 100.00 7.16e-106 . . . . 435 1 12 no PDB 1T4Q . "Interleukin 1 Beta F101w" . . . . . 100.00 153 99.34 100.00 7.16e-106 . . . . 435 1 13 no PDB 1TOO . "Interleukin 1b Mutant F146w" . . . . . 100.00 153 99.34 100.00 7.16e-106 . . . . 435 1 14 no PDB 1TP0 . "Triple Mutation In Interleukin 1 Beta Cavity:replacement Of Phenylalanines With Tryptophan" . . . . . 100.00 153 98.03 100.00 5.41e-105 . . . . 435 1 15 no PDB 1TWE . "Interleukin 1 Beta Mutant F101y" . . . . . 100.00 153 99.34 100.00 3.02e-106 . . . . 435 1 16 no PDB 1TWM . "Interleukin-1 Beta Mutant F146y" . . . . . 100.00 153 99.34 100.00 3.02e-106 . . . . 435 1 17 no PDB 21BI . "Interleukin-1 Beta (Il-1 Beta) (Mutant With Cys 71 Replaced By Ala) (C71a)" . . . . . 100.00 153 99.34 99.34 1.52e-105 . . . . 435 1 18 no PDB 2I1B . "Crystallographic Refinement Of Interleukin-1 Beta At 2.0 Angstroms Resolution" . . . . . 100.00 153 100.00 100.00 1.38e-106 . . . . 435 1 19 no PDB 2KH2 . "Solution Structure Of A Scfv-Il-1b Complex" . . . . . 100.00 153 100.00 100.00 1.38e-106 . . . . 435 1 20 no PDB 2NVH . "Determination Of Solvent Content In Cavities In Interleukin- 1 Using Experimentally-Phased Electron Density" . . . . . 100.00 153 100.00 100.00 1.38e-106 . . . . 435 1 21 no PDB 31BI . "Interleukin-1 Beta (Il-1 Beta) (Mutant With Cys 71 Replaced By Ser) (C71s)" . . . . . 100.00 153 99.34 99.34 2.26e-105 . . . . 435 1 22 no PDB 3O4O . "Crystal Structure Of An Interleukin-1 Receptor Complex" . . . . . 100.00 158 100.00 100.00 2.12e-106 . . . . 435 1 23 no PDB 41BI . "Interleukin-1 Beta (Il-1 Beta) (Mutant With Cys 8 Replaced By Ala (C8a)" . . . . . 100.00 153 99.34 99.34 1.52e-105 . . . . 435 1 24 no PDB 4DEP . "Structure Of The Il-1b Signaling Complex" . . . . . 100.00 158 100.00 100.00 2.12e-106 . . . . 435 1 25 no PDB 4G6J . "Crystal Structure Of Human Il-1beta In Complex With The Therapeutic Antibody Binding Fragment Of Canakinumab" . . . . . 100.00 158 100.00 100.00 1.80e-106 . . . . 435 1 26 no PDB 4G6M . "Crystal Strucure Of Human Il-1beta In Complex With Therapeutic Antibody Binding Fragment Of Gevokizumab" . . . . . 98.68 150 100.00 100.00 2.89e-105 . . . . 435 1 27 no PDB 4I1B . "Functional Implications Of Interleukin-1beta Based On The Three-Dimensional Structure" . . . . . 100.00 153 100.00 100.00 1.38e-106 . . . . 435 1 28 no PDB 5BVP . "The Molecular Mode Of Action And Species Specificity Of Canakinumab, A Human Monoclonal Antibody Neutralizing Il-1beta" . . . . . 100.00 153 100.00 100.00 1.38e-106 . . . . 435 1 29 no PDB 5I1B . "A Comparison Of The High Resolution Structures Of Human And Murine Interleukin-1b" . . . . . 100.00 153 100.00 100.00 1.38e-106 . . . . 435 1 30 no PDB 6I1B . "High-Resolution Three-Dimensional Structure Of Interleukin- 1 Beta In Solution By Three-And Four-Dimensional Nuclear Magnetic R" . . . . . 100.00 153 100.00 100.00 1.38e-106 . . . . 435 1 31 no PDB 7I1B . "High-Resolution Three-Dimensional Structure Of Interleukin- 1 Beta In Solution By Three-And Four-Dimensional Nuclear Magnetic R" . . . . . 100.00 153 100.00 100.00 1.38e-106 . . . . 435 1 32 no PDB 9ILB . "Human Interleukin-1 Beta" . . . . . 100.00 153 100.00 100.00 1.38e-106 . . . . 435 1 33 no DBJ BAG70308 . "interleukin-1 beta precursor [Homo sapiens]" . . . . . 100.00 153 100.00 100.00 1.38e-106 . . . . 435 1 34 no DBJ BAG73311 . "interleukin 1 beta [synthetic construct]" . . . . . 100.00 269 100.00 100.00 1.87e-104 . . . . 435 1 35 no EMBL CAA26372 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 269 100.00 100.00 1.87e-104 . . . . 435 1 36 no EMBL CAA28185 . "prointerleukin-1-beta [Homo sapiens]" . . . . . 100.00 269 100.00 100.00 1.87e-104 . . . . 435 1 37 no EMBL CAA39567 . "prointerleukin-1 beta [Homo sapiens]" . . . . . 100.00 269 100.00 100.00 1.87e-104 . . . . 435 1 38 no EMBL CAG28607 . "IL1B [Homo sapiens]" . . . . . 100.00 269 100.00 100.00 1.66e-104 . . . . 435 1 39 no GB AAA36106 . "interleukin 1 precursor polypeptide [Homo sapiens]" . . . . . 100.00 269 100.00 100.00 1.66e-104 . . . . 435 1 40 no GB AAA59135 . "interleukin 1-beta [Homo sapiens]" . . . . . 100.00 269 100.00 100.00 1.87e-104 . . . . 435 1 41 no GB AAA59136 . "interleukin 1 precursor [Homo sapiens]" . . . . . 100.00 269 98.68 98.68 2.32e-102 . . . . 435 1 42 no GB AAA72561 . "interleukin 1-beta [synthetic construct]" . . . . . 100.00 154 99.34 99.34 1.29e-105 . . . . 435 1 43 no GB AAA72849 . "growth hormone:interleukin 1-beta fusion protein [synthetic construct]" . . . . . 100.00 179 100.00 100.00 2.06e-106 . . . . 435 1 44 no PRF 1107273B . "interleukin 1beta" . . . . . 100.00 269 100.00 100.00 1.87e-104 . . . . 435 1 45 no REF NP_000567 . "interleukin-1 beta proprotein [Homo sapiens]" . . . . . 100.00 269 100.00 100.00 1.87e-104 . . . . 435 1 46 no REF XP_001147075 . "PREDICTED: interleukin-1 beta [Pan troglodytes]" . . . . . 100.00 269 100.00 100.00 2.21e-104 . . . . 435 1 47 no REF XP_002811835 . "PREDICTED: interleukin-1 beta [Pongo abelii]" . . . . . 100.00 268 99.34 100.00 4.34e-104 . . . . 435 1 48 no REF XP_003277734 . "PREDICTED: interleukin-1 beta isoform X3 [Nomascus leucogenys]" . . . . . 100.00 269 99.34 100.00 5.05e-104 . . . . 435 1 49 no REF XP_003804551 . "PREDICTED: interleukin-1 beta [Pan paniscus]" . . . . . 100.00 269 100.00 100.00 2.21e-104 . . . . 435 1 50 no SP P01584 . "RecName: Full=Interleukin-1 beta; Short=IL-1 beta; AltName: Full=Catabolin; Flags: Precursor" . . . . . 100.00 269 100.00 100.00 1.87e-104 . . . . 435 1 51 no TPE CAD29872 . "TPA: pro-interleukin-1-beta [Homo sapiens]" . . . . . 100.00 269 100.00 100.00 1.87e-104 . . . . 435 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID des-ala-1-IL-1beta variant 435 1 'interleukin 1-beta' common 435 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 . PRO . 435 1 2 . VAL . 435 1 3 . ARG . 435 1 4 . SER . 435 1 5 . LEU . 435 1 6 . ASN . 435 1 7 . CYS . 435 1 8 . THR . 435 1 9 . LEU . 435 1 10 . ARG . 435 1 11 . ASP . 435 1 12 . SER . 435 1 13 . GLN . 435 1 14 . GLN . 435 1 15 . LYS . 435 1 16 . SER . 435 1 17 . LEU . 435 1 18 . VAL . 435 1 19 . MET . 435 1 20 . SER . 435 1 21 . GLY . 435 1 22 . PRO . 435 1 23 . TYR . 435 1 24 . GLU . 435 1 25 . LEU . 435 1 26 . LYS . 435 1 27 . ALA . 435 1 28 . LEU . 435 1 29 . HIS . 435 1 30 . LEU . 435 1 31 . GLN . 435 1 32 . GLY . 435 1 33 . GLN . 435 1 34 . ASP . 435 1 35 . MET . 435 1 36 . GLU . 435 1 37 . GLN . 435 1 38 . GLN . 435 1 39 . VAL . 435 1 40 . VAL . 435 1 41 . PHE . 435 1 42 . SER . 435 1 43 . MET . 435 1 44 . SER . 435 1 45 . PHE . 435 1 46 . VAL . 435 1 47 . GLN . 435 1 48 . GLY . 435 1 49 . GLU . 435 1 50 . GLU . 435 1 51 . SER . 435 1 52 . ASN . 435 1 53 . ASP . 435 1 54 . LYS . 435 1 55 . ILE . 435 1 56 . PRO . 435 1 57 . VAL . 435 1 58 . ALA . 435 1 59 . LEU . 435 1 60 . GLY . 435 1 61 . LEU . 435 1 62 . LYS . 435 1 63 . GLU . 435 1 64 . LYS . 435 1 65 . ASN . 435 1 66 . LEU . 435 1 67 . TYR . 435 1 68 . LEU . 435 1 69 . SER . 435 1 70 . CYS . 435 1 71 . VAL . 435 1 72 . LEU . 435 1 73 . LYS . 435 1 74 . ASP . 435 1 75 . ASP . 435 1 76 . LYS . 435 1 77 . PRO . 435 1 78 . THR . 435 1 79 . LEU . 435 1 80 . GLN . 435 1 81 . LEU . 435 1 82 . GLU . 435 1 83 . SER . 435 1 84 . VAL . 435 1 85 . ASP . 435 1 86 . PRO . 435 1 87 . LYS . 435 1 88 . ASN . 435 1 89 . TYR . 435 1 90 . PRO . 435 1 91 . LYS . 435 1 92 . LYS . 435 1 93 . LYS . 435 1 94 . MET . 435 1 95 . GLU . 435 1 96 . LYS . 435 1 97 . ARG . 435 1 98 . PHE . 435 1 99 . VAL . 435 1 100 . PHE . 435 1 101 . ASN . 435 1 102 . LYS . 435 1 103 . ILE . 435 1 104 . GLU . 435 1 105 . ILE . 435 1 106 . ASN . 435 1 107 . ASN . 435 1 108 . LYS . 435 1 109 . LEU . 435 1 110 . GLU . 435 1 111 . PHE . 435 1 112 . GLU . 435 1 113 . SER . 435 1 114 . ALA . 435 1 115 . GLN . 435 1 116 . PHE . 435 1 117 . PRO . 435 1 118 . ASN . 435 1 119 . TRP . 435 1 120 . TYR . 435 1 121 . ILE . 435 1 122 . SER . 435 1 123 . THR . 435 1 124 . SER . 435 1 125 . GLN . 435 1 126 . ALA . 435 1 127 . GLU . 435 1 128 . ASN . 435 1 129 . MET . 435 1 130 . PRO . 435 1 131 . VAL . 435 1 132 . PHE . 435 1 133 . LEU . 435 1 134 . GLY . 435 1 135 . GLY . 435 1 136 . THR . 435 1 137 . LYS . 435 1 138 . GLY . 435 1 139 . GLY . 435 1 140 . GLN . 435 1 141 . ASP . 435 1 142 . ILE . 435 1 143 . THR . 435 1 144 . ASP . 435 1 145 . PHE . 435 1 146 . THR . 435 1 147 . MET . 435 1 148 . GLN . 435 1 149 . PHE . 435 1 150 . VAL . 435 1 151 . SER . 435 1 152 . SER . 435 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 . PRO 1 1 435 1 . VAL 2 2 435 1 . ARG 3 3 435 1 . SER 4 4 435 1 . LEU 5 5 435 1 . ASN 6 6 435 1 . CYS 7 7 435 1 . THR 8 8 435 1 . LEU 9 9 435 1 . ARG 10 10 435 1 . ASP 11 11 435 1 . SER 12 12 435 1 . GLN 13 13 435 1 . GLN 14 14 435 1 . LYS 15 15 435 1 . SER 16 16 435 1 . LEU 17 17 435 1 . VAL 18 18 435 1 . MET 19 19 435 1 . SER 20 20 435 1 . GLY 21 21 435 1 . PRO 22 22 435 1 . TYR 23 23 435 1 . GLU 24 24 435 1 . LEU 25 25 435 1 . LYS 26 26 435 1 . ALA 27 27 435 1 . LEU 28 28 435 1 . HIS 29 29 435 1 . LEU 30 30 435 1 . GLN 31 31 435 1 . GLY 32 32 435 1 . GLN 33 33 435 1 . ASP 34 34 435 1 . MET 35 35 435 1 . GLU 36 36 435 1 . GLN 37 37 435 1 . GLN 38 38 435 1 . VAL 39 39 435 1 . VAL 40 40 435 1 . PHE 41 41 435 1 . SER 42 42 435 1 . MET 43 43 435 1 . SER 44 44 435 1 . PHE 45 45 435 1 . VAL 46 46 435 1 . GLN 47 47 435 1 . GLY 48 48 435 1 . GLU 49 49 435 1 . GLU 50 50 435 1 . SER 51 51 435 1 . ASN 52 52 435 1 . ASP 53 53 435 1 . LYS 54 54 435 1 . ILE 55 55 435 1 . PRO 56 56 435 1 . VAL 57 57 435 1 . ALA 58 58 435 1 . LEU 59 59 435 1 . GLY 60 60 435 1 . LEU 61 61 435 1 . LYS 62 62 435 1 . GLU 63 63 435 1 . LYS 64 64 435 1 . ASN 65 65 435 1 . LEU 66 66 435 1 . TYR 67 67 435 1 . LEU 68 68 435 1 . SER 69 69 435 1 . CYS 70 70 435 1 . VAL 71 71 435 1 . LEU 72 72 435 1 . LYS 73 73 435 1 . ASP 74 74 435 1 . ASP 75 75 435 1 . LYS 76 76 435 1 . PRO 77 77 435 1 . THR 78 78 435 1 . LEU 79 79 435 1 . GLN 80 80 435 1 . LEU 81 81 435 1 . GLU 82 82 435 1 . SER 83 83 435 1 . VAL 84 84 435 1 . ASP 85 85 435 1 . PRO 86 86 435 1 . LYS 87 87 435 1 . ASN 88 88 435 1 . TYR 89 89 435 1 . PRO 90 90 435 1 . LYS 91 91 435 1 . LYS 92 92 435 1 . LYS 93 93 435 1 . MET 94 94 435 1 . GLU 95 95 435 1 . LYS 96 96 435 1 . ARG 97 97 435 1 . PHE 98 98 435 1 . VAL 99 99 435 1 . PHE 100 100 435 1 . ASN 101 101 435 1 . LYS 102 102 435 1 . ILE 103 103 435 1 . GLU 104 104 435 1 . ILE 105 105 435 1 . ASN 106 106 435 1 . ASN 107 107 435 1 . LYS 108 108 435 1 . LEU 109 109 435 1 . GLU 110 110 435 1 . PHE 111 111 435 1 . GLU 112 112 435 1 . SER 113 113 435 1 . ALA 114 114 435 1 . GLN 115 115 435 1 . PHE 116 116 435 1 . PRO 117 117 435 1 . ASN 118 118 435 1 . TRP 119 119 435 1 . TYR 120 120 435 1 . ILE 121 121 435 1 . SER 122 122 435 1 . THR 123 123 435 1 . SER 124 124 435 1 . GLN 125 125 435 1 . ALA 126 126 435 1 . GLU 127 127 435 1 . ASN 128 128 435 1 . MET 129 129 435 1 . PRO 130 130 435 1 . VAL 131 131 435 1 . PHE 132 132 435 1 . LEU 133 133 435 1 . GLY 134 134 435 1 . GLY 135 135 435 1 . THR 136 136 435 1 . LYS 137 137 435 1 . GLY 138 138 435 1 . GLY 139 139 435 1 . GLN 140 140 435 1 . ASP 141 141 435 1 . ILE 142 142 435 1 . THR 143 143 435 1 . ASP 144 144 435 1 . PHE 145 145 435 1 . THR 146 146 435 1 . MET 147 147 435 1 . GLN 148 148 435 1 . PHE 149 149 435 1 . VAL 150 150 435 1 . SER 151 151 435 1 . SER 152 152 435 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 435 _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 $interleukin_1-beta . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens generic . . . . . . . . . . . . . . . . . . . . 435 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 435 _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 $interleukin_1-beta . 'not available' 'Escherichia coli' . . . Escherichia coli generic . . . . . . . . . . . . . . . . . . . . . . 435 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 435 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 435 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.4 . na 435 1 temperature 309 . K 435 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 435 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 435 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 435 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 435 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 435 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 435 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H . DSS . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 435 1 N . 'liquid NH3' . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 435 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 435 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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_one . 435 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 PRO HA H 1 4.5 . . 1 . . . . . . . . 435 1 2 . 1 1 1 1 PRO HD2 H 1 3.68 . . 2 . . . . . . . . 435 1 3 . 1 1 1 1 PRO HD3 H 1 3.59 . . 2 . . . . . . . . 435 1 4 . 1 1 2 2 VAL H H 1 8 . . 1 . . . . . . . . 435 1 5 . 1 1 2 2 VAL HA H 1 4.15 . . 1 . . . . . . . . 435 1 6 . 1 1 2 2 VAL HB H 1 1.93 . . 1 . . . . . . . . 435 1 7 . 1 1 2 2 VAL HG11 H 1 .83 . . 1 . . . . . . . . 435 1 8 . 1 1 2 2 VAL HG12 H 1 .83 . . 1 . . . . . . . . 435 1 9 . 1 1 2 2 VAL HG13 H 1 .83 . . 1 . . . . . . . . 435 1 10 . 1 1 2 2 VAL HG21 H 1 .83 . . 1 . . . . . . . . 435 1 11 . 1 1 2 2 VAL HG22 H 1 .83 . . 1 . . . . . . . . 435 1 12 . 1 1 2 2 VAL HG23 H 1 .83 . . 1 . . . . . . . . 435 1 13 . 1 1 2 2 VAL N N 15 119.1 . . 1 . . . . . . . . 435 1 14 . 1 1 3 3 ARG H H 1 9 . . 1 . . . . . . . . 435 1 15 . 1 1 3 3 ARG HA H 1 4.47 . . 1 . . . . . . . . 435 1 16 . 1 1 3 3 ARG N N 15 128.3 . . 1 . . . . . . . . 435 1 17 . 1 1 4 4 SER H H 1 8.28 . . 1 . . . . . . . . 435 1 18 . 1 1 4 4 SER N N 15 118.4 . . 1 . . . . . . . . 435 1 19 . 1 1 5 5 LEU H H 1 9.03 . . 1 . . . . . . . . 435 1 20 . 1 1 5 5 LEU HA H 1 4.78 . . 1 . . . . . . . . 435 1 21 . 1 1 5 5 LEU HB2 H 1 1.82 . . 2 . . . . . . . . 435 1 22 . 1 1 5 5 LEU HB3 H 1 1.81 . . 2 . . . . . . . . 435 1 23 . 1 1 5 5 LEU HG H 1 1.84 . . 1 . . . . . . . . 435 1 24 . 1 1 5 5 LEU HD11 H 1 1.02 . . 2 . . . . . . . . 435 1 25 . 1 1 5 5 LEU HD12 H 1 1.02 . . 2 . . . . . . . . 435 1 26 . 1 1 5 5 LEU HD13 H 1 1.02 . . 2 . . . . . . . . 435 1 27 . 1 1 5 5 LEU HD21 H 1 .98 . . 2 . . . . . . . . 435 1 28 . 1 1 5 5 LEU HD22 H 1 .98 . . 2 . . . . . . . . 435 1 29 . 1 1 5 5 LEU HD23 H 1 .98 . . 2 . . . . . . . . 435 1 30 . 1 1 5 5 LEU N N 15 122.4 . . 1 . . . . . . . . 435 1 31 . 1 1 6 6 ASN H H 1 8.78 . . 1 . . . . . . . . 435 1 32 . 1 1 6 6 ASN HA H 1 6.25 . . 1 . . . . . . . . 435 1 33 . 1 1 6 6 ASN HB2 H 1 2.86 . . 2 . . . . . . . . 435 1 34 . 1 1 6 6 ASN HB3 H 1 2.32 . . 2 . . . . . . . . 435 1 35 . 1 1 6 6 ASN N N 15 120.9 . . 1 . . . . . . . . 435 1 36 . 1 1 7 7 CYS H H 1 9.59 . . 1 . . . . . . . . 435 1 37 . 1 1 7 7 CYS HA H 1 5.76 . . 1 . . . . . . . . 435 1 38 . 1 1 7 7 CYS HB2 H 1 2.96 . . 2 . . . . . . . . 435 1 39 . 1 1 7 7 CYS HB3 H 1 2.86 . . 2 . . . . . . . . 435 1 40 . 1 1 7 7 CYS N N 15 117.8 . . 1 . . . . . . . . 435 1 41 . 1 1 8 8 THR H H 1 8.93 . . 1 . . . . . . . . 435 1 42 . 1 1 8 8 THR HA H 1 5.06 . . 1 . . . . . . . . 435 1 43 . 1 1 8 8 THR HB H 1 4.39 . . 1 . . . . . . . . 435 1 44 . 1 1 8 8 THR HG21 H 1 1.18 . . 1 . . . . . . . . 435 1 45 . 1 1 8 8 THR HG22 H 1 1.18 . . 1 . . . . . . . . 435 1 46 . 1 1 8 8 THR HG23 H 1 1.18 . . 1 . . . . . . . . 435 1 47 . 1 1 8 8 THR N N 15 109.5 . . 1 . . . . . . . . 435 1 48 . 1 1 9 9 LEU H H 1 9.41 . . 1 . . . . . . . . 435 1 49 . 1 1 9 9 LEU HA H 1 5.45 . . 1 . . . . . . . . 435 1 50 . 1 1 9 9 LEU HB2 H 1 1.53 . . 2 . . . . . . . . 435 1 51 . 1 1 9 9 LEU HB3 H 1 1.07 . . 2 . . . . . . . . 435 1 52 . 1 1 9 9 LEU HG H 1 1.18 . . 1 . . . . . . . . 435 1 53 . 1 1 9 9 LEU HD11 H 1 .58 . . 2 . . . . . . . . 435 1 54 . 1 1 9 9 LEU HD12 H 1 .58 . . 2 . . . . . . . . 435 1 55 . 1 1 9 9 LEU HD13 H 1 .58 . . 2 . . . . . . . . 435 1 56 . 1 1 9 9 LEU HD21 H 1 .4 . . 2 . . . . . . . . 435 1 57 . 1 1 9 9 LEU HD22 H 1 .4 . . 2 . . . . . . . . 435 1 58 . 1 1 9 9 LEU HD23 H 1 .4 . . 2 . . . . . . . . 435 1 59 . 1 1 9 9 LEU N N 15 120.7 . . 1 . . . . . . . . 435 1 60 . 1 1 10 10 ARG H H 1 8.62 . . 1 . . . . . . . . 435 1 61 . 1 1 10 10 ARG HA H 1 5.28 . . 1 . . . . . . . . 435 1 62 . 1 1 10 10 ARG HB2 H 1 1.66 . . 2 . . . . . . . . 435 1 63 . 1 1 10 10 ARG HB3 H 1 1.6 . . 2 . . . . . . . . 435 1 64 . 1 1 10 10 ARG N N 15 119.6 . . 1 . . . . . . . . 435 1 65 . 1 1 11 11 ASP H H 1 8.71 . . 1 . . . . . . . . 435 1 66 . 1 1 11 11 ASP HA H 1 4.65 . . 1 . . . . . . . . 435 1 67 . 1 1 11 11 ASP N N 15 121.2 . . 1 . . . . . . . . 435 1 68 . 1 1 12 12 SER H H 1 7.42 . . 1 . . . . . . . . 435 1 69 . 1 1 12 12 SER HA H 1 3.99 . . 1 . . . . . . . . 435 1 70 . 1 1 12 12 SER HB2 H 1 3.95 . . 2 . . . . . . . . 435 1 71 . 1 1 12 12 SER HB3 H 1 3.56 . . 2 . . . . . . . . 435 1 72 . 1 1 12 12 SER N N 15 114.4 . . 1 . . . . . . . . 435 1 73 . 1 1 13 13 GLN H H 1 8.02 . . 1 . . . . . . . . 435 1 74 . 1 1 13 13 GLN HA H 1 4.55 . . 1 . . . . . . . . 435 1 75 . 1 1 13 13 GLN HB2 H 1 2.56 . . 2 . . . . . . . . 435 1 76 . 1 1 13 13 GLN HB3 H 1 1.59 . . 2 . . . . . . . . 435 1 77 . 1 1 13 13 GLN N N 15 120.4 . . 1 . . . . . . . . 435 1 78 . 1 1 14 14 GLN H H 1 8.44 . . 1 . . . . . . . . 435 1 79 . 1 1 14 14 GLN HA H 1 3.71 . . 1 . . . . . . . . 435 1 80 . 1 1 14 14 GLN HB2 H 1 2.62 . . 1 . . . . . . . . 435 1 81 . 1 1 14 14 GLN HB3 H 1 2.62 . . 1 . . . . . . . . 435 1 82 . 1 1 14 14 GLN N N 15 111.6 . . 1 . . . . . . . . 435 1 83 . 1 1 15 15 LYS H H 1 8.48 . . 1 . . . . . . . . 435 1 84 . 1 1 15 15 LYS HA H 1 3.55 . . 1 . . . . . . . . 435 1 85 . 1 1 15 15 LYS HB2 H 1 1.97 . . 1 . . . . . . . . 435 1 86 . 1 1 15 15 LYS HB3 H 1 1.97 . . 1 . . . . . . . . 435 1 87 . 1 1 15 15 LYS N N 15 120.2 . . 1 . . . . . . . . 435 1 88 . 1 1 16 16 SER H H 1 8.27 . . 1 . . . . . . . . 435 1 89 . 1 1 16 16 SER HA H 1 4.91 . . 1 . . . . . . . . 435 1 90 . 1 1 16 16 SER HB2 H 1 4.03 . . 2 . . . . . . . . 435 1 91 . 1 1 16 16 SER HB3 H 1 3.76 . . 2 . . . . . . . . 435 1 92 . 1 1 16 16 SER N N 15 119.5 . . 1 . . . . . . . . 435 1 93 . 1 1 17 17 LEU H H 1 8.82 . . 1 . . . . . . . . 435 1 94 . 1 1 17 17 LEU HA H 1 5.38 . . 1 . . . . . . . . 435 1 95 . 1 1 17 17 LEU HB2 H 1 2.15 . . 2 . . . . . . . . 435 1 96 . 1 1 17 17 LEU HB3 H 1 1.4 . . 2 . . . . . . . . 435 1 97 . 1 1 17 17 LEU N N 15 122.4 . . 1 . . . . . . . . 435 1 98 . 1 1 18 18 VAL H H 1 8.8 . . 1 . . . . . . . . 435 1 99 . 1 1 18 18 VAL HA H 1 4.68 . . 1 . . . . . . . . 435 1 100 . 1 1 18 18 VAL HB H 1 2.03 . . 1 . . . . . . . . 435 1 101 . 1 1 18 18 VAL HG11 H 1 .78 . . 2 . . . . . . . . 435 1 102 . 1 1 18 18 VAL HG12 H 1 .78 . . 2 . . . . . . . . 435 1 103 . 1 1 18 18 VAL HG13 H 1 .78 . . 2 . . . . . . . . 435 1 104 . 1 1 18 18 VAL HG21 H 1 .66 . . 2 . . . . . . . . 435 1 105 . 1 1 18 18 VAL HG22 H 1 .66 . . 2 . . . . . . . . 435 1 106 . 1 1 18 18 VAL HG23 H 1 .66 . . 2 . . . . . . . . 435 1 107 . 1 1 18 18 VAL N N 15 115.5 . . 1 . . . . . . . . 435 1 108 . 1 1 19 19 MET H H 1 8.68 . . 1 . . . . . . . . 435 1 109 . 1 1 19 19 MET HA H 1 4.9 . . 1 . . . . . . . . 435 1 110 . 1 1 19 19 MET HB2 H 1 2.19 . . 2 . . . . . . . . 435 1 111 . 1 1 19 19 MET HB3 H 1 1.7 . . 2 . . . . . . . . 435 1 112 . 1 1 19 19 MET HG2 H 1 2.5 . . 2 . . . . . . . . 435 1 113 . 1 1 19 19 MET HG3 H 1 2.36 . . 2 . . . . . . . . 435 1 114 . 1 1 19 19 MET N N 15 120.9 . . 1 . . . . . . . . 435 1 115 . 1 1 20 20 SER H H 1 8.59 . . 1 . . . . . . . . 435 1 116 . 1 1 20 20 SER HA H 1 4.52 . . 1 . . . . . . . . 435 1 117 . 1 1 20 20 SER HB2 H 1 3.6 . . 2 . . . . . . . . 435 1 118 . 1 1 20 20 SER HB3 H 1 3.52 . . 2 . . . . . . . . 435 1 119 . 1 1 20 20 SER N N 15 120 . . 1 . . . . . . . . 435 1 120 . 1 1 21 21 GLY H H 1 8.11 . . 1 . . . . . . . . 435 1 121 . 1 1 21 21 GLY HA2 H 1 4.12 . . 2 . . . . . . . . 435 1 122 . 1 1 21 21 GLY HA3 H 1 3.97 . . 2 . . . . . . . . 435 1 123 . 1 1 21 21 GLY N N 15 111.7 . . 1 . . . . . . . . 435 1 124 . 1 1 22 22 PRO HA H 1 4.02 . . 1 . . . . . . . . 435 1 125 . 1 1 22 22 PRO HD2 H 1 3.59 . . 2 . . . . . . . . 435 1 126 . 1 1 22 22 PRO HD3 H 1 3.44 . . 2 . . . . . . . . 435 1 127 . 1 1 23 23 TYR H H 1 8 . . 1 . . . . . . . . 435 1 128 . 1 1 23 23 TYR HA H 1 4.78 . . 1 . . . . . . . . 435 1 129 . 1 1 23 23 TYR HB2 H 1 3.54 . . 2 . . . . . . . . 435 1 130 . 1 1 23 23 TYR HB3 H 1 2.76 . . 2 . . . . . . . . 435 1 131 . 1 1 23 23 TYR HD1 H 1 7.09 . . 1 . . . . . . . . 435 1 132 . 1 1 23 23 TYR HD2 H 1 7.09 . . 1 . . . . . . . . 435 1 133 . 1 1 23 23 TYR HE1 H 1 6.78 . . 1 . . . . . . . . 435 1 134 . 1 1 23 23 TYR HE2 H 1 6.78 . . 1 . . . . . . . . 435 1 135 . 1 1 23 23 TYR N N 15 110.6 . . 1 . . . . . . . . 435 1 136 . 1 1 24 24 GLU H H 1 7.2 . . 1 . . . . . . . . 435 1 137 . 1 1 24 24 GLU HA H 1 4.67 . . 1 . . . . . . . . 435 1 138 . 1 1 24 24 GLU HB2 H 1 2.04 . . 2 . . . . . . . . 435 1 139 . 1 1 24 24 GLU HB3 H 1 1.94 . . 2 . . . . . . . . 435 1 140 . 1 1 24 24 GLU HG2 H 1 2.3 . . 2 . . . . . . . . 435 1 141 . 1 1 24 24 GLU HG3 H 1 2.24 . . 2 . . . . . . . . 435 1 142 . 1 1 24 24 GLU N N 15 119.3 . . 1 . . . . . . . . 435 1 143 . 1 1 25 25 LEU H H 1 8.57 . . 1 . . . . . . . . 435 1 144 . 1 1 25 25 LEU HA H 1 5.24 . . 1 . . . . . . . . 435 1 145 . 1 1 25 25 LEU HB2 H 1 1.63 . . 1 . . . . . . . . 435 1 146 . 1 1 25 25 LEU HB3 H 1 1.63 . . 1 . . . . . . . . 435 1 147 . 1 1 25 25 LEU N N 15 123 . . 1 . . . . . . . . 435 1 148 . 1 1 26 26 LYS H H 1 9.18 . . 1 . . . . . . . . 435 1 149 . 1 1 26 26 LYS HA H 1 5.14 . . 1 . . . . . . . . 435 1 150 . 1 1 26 26 LYS HB2 H 1 1.48 . . 2 . . . . . . . . 435 1 151 . 1 1 26 26 LYS HB3 H 1 1.43 . . 2 . . . . . . . . 435 1 152 . 1 1 26 26 LYS N N 15 119.8 . . 1 . . . . . . . . 435 1 153 . 1 1 27 27 ALA H H 1 7.62 . . 1 . . . . . . . . 435 1 154 . 1 1 27 27 ALA HA H 1 6.16 . . 1 . . . . . . . . 435 1 155 . 1 1 27 27 ALA HB1 H 1 1.31 . . 1 . . . . . . . . 435 1 156 . 1 1 27 27 ALA HB2 H 1 1.31 . . 1 . . . . . . . . 435 1 157 . 1 1 27 27 ALA HB3 H 1 1.31 . . 1 . . . . . . . . 435 1 158 . 1 1 27 27 ALA N N 15 118.9 . . 1 . . . . . . . . 435 1 159 . 1 1 28 28 LEU H H 1 9.42 . . 1 . . . . . . . . 435 1 160 . 1 1 28 28 LEU HA H 1 4.87 . . 1 . . . . . . . . 435 1 161 . 1 1 28 28 LEU HB2 H 1 1.95 . . 2 . . . . . . . . 435 1 162 . 1 1 28 28 LEU HB3 H 1 1.58 . . 2 . . . . . . . . 435 1 163 . 1 1 28 28 LEU N N 15 125.6 . . 1 . . . . . . . . 435 1 164 . 1 1 29 29 HIS H H 1 10.19 . . 1 . . . . . . . . 435 1 165 . 1 1 29 29 HIS HA H 1 4.69 . . 1 . . . . . . . . 435 1 166 . 1 1 29 29 HIS HB2 H 1 3.23 . . 2 . . . . . . . . 435 1 167 . 1 1 29 29 HIS HB3 H 1 3.16 . . 2 . . . . . . . . 435 1 168 . 1 1 29 29 HIS N N 15 122 . . 1 . . . . . . . . 435 1 169 . 1 1 30 30 LEU H H 1 8.4 . . 1 . . . . . . . . 435 1 170 . 1 1 30 30 LEU HA H 1 4.67 . . 1 . . . . . . . . 435 1 171 . 1 1 30 30 LEU HB2 H 1 1.7 . . 2 . . . . . . . . 435 1 172 . 1 1 30 30 LEU HB3 H 1 1.3 . . 2 . . . . . . . . 435 1 173 . 1 1 30 30 LEU N N 15 126 . . 1 . . . . . . . . 435 1 174 . 1 1 31 31 GLN H H 1 8.88 . . 1 . . . . . . . . 435 1 175 . 1 1 31 31 GLN HA H 1 4.53 . . 1 . . . . . . . . 435 1 176 . 1 1 31 31 GLN HB2 H 1 2.19 . . 2 . . . . . . . . 435 1 177 . 1 1 31 31 GLN HB3 H 1 1.98 . . 2 . . . . . . . . 435 1 178 . 1 1 31 31 GLN HG2 H 1 2.31 . . 2 . . . . . . . . 435 1 179 . 1 1 31 31 GLN HG3 H 1 2.25 . . 2 . . . . . . . . 435 1 180 . 1 1 31 31 GLN N N 15 120.2 . . 1 . . . . . . . . 435 1 181 . 1 1 32 32 GLY H H 1 8.72 . . 1 . . . . . . . . 435 1 182 . 1 1 32 32 GLY HA2 H 1 3.99 . . 2 . . . . . . . . 435 1 183 . 1 1 32 32 GLY HA3 H 1 3.77 . . 2 . . . . . . . . 435 1 184 . 1 1 32 32 GLY N N 15 109.5 . . 1 . . . . . . . . 435 1 185 . 1 1 33 33 GLN H H 1 8.83 . . 1 . . . . . . . . 435 1 186 . 1 1 33 33 GLN HA H 1 4.27 . . 1 . . . . . . . . 435 1 187 . 1 1 33 33 GLN HB2 H 1 2.1 . . 1 . . . . . . . . 435 1 188 . 1 1 33 33 GLN HB3 H 1 2.1 . . 1 . . . . . . . . 435 1 189 . 1 1 33 33 GLN N N 15 121.7 . . 1 . . . . . . . . 435 1 190 . 1 1 34 34 ASP H H 1 7.86 . . 1 . . . . . . . . 435 1 191 . 1 1 34 34 ASP HA H 1 4.75 . . 1 . . . . . . . . 435 1 192 . 1 1 34 34 ASP HB2 H 1 2.89 . . 2 . . . . . . . . 435 1 193 . 1 1 34 34 ASP HB3 H 1 2.79 . . 2 . . . . . . . . 435 1 194 . 1 1 34 34 ASP N N 15 119 . . 1 . . . . . . . . 435 1 195 . 1 1 35 35 MET H H 1 7.68 . . 1 . . . . . . . . 435 1 196 . 1 1 35 35 MET HA H 1 4.21 . . 1 . . . . . . . . 435 1 197 . 1 1 35 35 MET HB2 H 1 2.05 . . 1 . . . . . . . . 435 1 198 . 1 1 35 35 MET HB3 H 1 2.05 . . 1 . . . . . . . . 435 1 199 . 1 1 35 35 MET N N 15 118.3 . . 1 . . . . . . . . 435 1 200 . 1 1 36 36 GLU H H 1 8.07 . . 1 . . . . . . . . 435 1 201 . 1 1 36 36 GLU HA H 1 4.22 . . 1 . . . . . . . . 435 1 202 . 1 1 36 36 GLU HB2 H 1 2.1 . . 2 . . . . . . . . 435 1 203 . 1 1 36 36 GLU HB3 H 1 2.02 . . 2 . . . . . . . . 435 1 204 . 1 1 36 36 GLU N N 15 117.6 . . 1 . . . . . . . . 435 1 205 . 1 1 37 37 GLN H H 1 7.94 . . 1 . . . . . . . . 435 1 206 . 1 1 37 37 GLN HA H 1 4.21 . . 1 . . . . . . . . 435 1 207 . 1 1 37 37 GLN HB2 H 1 2.23 . . 2 . . . . . . . . 435 1 208 . 1 1 37 37 GLN HB3 H 1 1.97 . . 2 . . . . . . . . 435 1 209 . 1 1 37 37 GLN N N 15 117 . . 1 . . . . . . . . 435 1 210 . 1 1 38 38 GLN H H 1 7.53 . . 1 . . . . . . . . 435 1 211 . 1 1 38 38 GLN HA H 1 4.42 . . 1 . . . . . . . . 435 1 212 . 1 1 38 38 GLN N N 15 117.3 . . 1 . . . . . . . . 435 1 213 . 1 1 39 39 VAL H H 1 8.3 . . 1 . . . . . . . . 435 1 214 . 1 1 39 39 VAL HA H 1 3.78 . . 1 . . . . . . . . 435 1 215 . 1 1 39 39 VAL HB H 1 1.58 . . 1 . . . . . . . . 435 1 216 . 1 1 39 39 VAL HG11 H 1 .62 . . 2 . . . . . . . . 435 1 217 . 1 1 39 39 VAL HG12 H 1 .62 . . 2 . . . . . . . . 435 1 218 . 1 1 39 39 VAL HG13 H 1 .62 . . 2 . . . . . . . . 435 1 219 . 1 1 39 39 VAL HG21 H 1 .19 . . 2 . . . . . . . . 435 1 220 . 1 1 39 39 VAL HG22 H 1 .19 . . 2 . . . . . . . . 435 1 221 . 1 1 39 39 VAL HG23 H 1 .19 . . 2 . . . . . . . . 435 1 222 . 1 1 39 39 VAL N N 15 122.7 . . 1 . . . . . . . . 435 1 223 . 1 1 40 40 VAL H H 1 7.69 . . 1 . . . . . . . . 435 1 224 . 1 1 40 40 VAL HA H 1 4.24 . . 1 . . . . . . . . 435 1 225 . 1 1 40 40 VAL HB H 1 1.83 . . 1 . . . . . . . . 435 1 226 . 1 1 40 40 VAL HG11 H 1 .85 . . 1 . . . . . . . . 435 1 227 . 1 1 40 40 VAL HG12 H 1 .85 . . 1 . . . . . . . . 435 1 228 . 1 1 40 40 VAL HG13 H 1 .85 . . 1 . . . . . . . . 435 1 229 . 1 1 40 40 VAL HG21 H 1 .85 . . 1 . . . . . . . . 435 1 230 . 1 1 40 40 VAL HG22 H 1 .85 . . 1 . . . . . . . . 435 1 231 . 1 1 40 40 VAL HG23 H 1 .85 . . 1 . . . . . . . . 435 1 232 . 1 1 40 40 VAL N N 15 123.9 . . 1 . . . . . . . . 435 1 233 . 1 1 41 41 PHE H H 1 9.58 . . 1 . . . . . . . . 435 1 234 . 1 1 41 41 PHE HA H 1 5.04 . . 1 . . . . . . . . 435 1 235 . 1 1 41 41 PHE HB2 H 1 3.07 . . 2 . . . . . . . . 435 1 236 . 1 1 41 41 PHE HB3 H 1 2.57 . . 2 . . . . . . . . 435 1 237 . 1 1 41 41 PHE HD1 H 1 6.9 . . 1 . . . . . . . . 435 1 238 . 1 1 41 41 PHE HD2 H 1 6.9 . . 1 . . . . . . . . 435 1 239 . 1 1 41 41 PHE HE1 H 1 7 . . 1 . . . . . . . . 435 1 240 . 1 1 41 41 PHE HE2 H 1 7 . . 1 . . . . . . . . 435 1 241 . 1 1 41 41 PHE HZ H 1 6.62 . . 1 . . . . . . . . 435 1 242 . 1 1 41 41 PHE N N 15 127.3 . . 1 . . . . . . . . 435 1 243 . 1 1 42 42 SER H H 1 9.17 . . 1 . . . . . . . . 435 1 244 . 1 1 42 42 SER HA H 1 5.16 . . 1 . . . . . . . . 435 1 245 . 1 1 42 42 SER HB2 H 1 3.61 . . 2 . . . . . . . . 435 1 246 . 1 1 42 42 SER HB3 H 1 3.45 . . 2 . . . . . . . . 435 1 247 . 1 1 42 42 SER N N 15 115.6 . . 1 . . . . . . . . 435 1 248 . 1 1 43 43 MET H H 1 9.57 . . 1 . . . . . . . . 435 1 249 . 1 1 43 43 MET HA H 1 5.3 . . 1 . . . . . . . . 435 1 250 . 1 1 43 43 MET HB2 H 1 2.23 . . 1 . . . . . . . . 435 1 251 . 1 1 43 43 MET HB3 H 1 2.23 . . 1 . . . . . . . . 435 1 252 . 1 1 43 43 MET N N 15 131.3 . . 1 . . . . . . . . 435 1 253 . 1 1 44 44 SER H H 1 8.88 . . 1 . . . . . . . . 435 1 254 . 1 1 44 44 SER HA H 1 5.36 . . 1 . . . . . . . . 435 1 255 . 1 1 44 44 SER HB2 H 1 3.71 . . 2 . . . . . . . . 435 1 256 . 1 1 44 44 SER HB3 H 1 3.58 . . 2 . . . . . . . . 435 1 257 . 1 1 44 44 SER N N 15 121.1 . . 1 . . . . . . . . 435 1 258 . 1 1 45 45 PHE H H 1 8.46 . . 1 . . . . . . . . 435 1 259 . 1 1 45 45 PHE HA H 1 4.77 . . 1 . . . . . . . . 435 1 260 . 1 1 45 45 PHE HB2 H 1 3.37 . . 2 . . . . . . . . 435 1 261 . 1 1 45 45 PHE HB3 H 1 2.98 . . 2 . . . . . . . . 435 1 262 . 1 1 45 45 PHE HD1 H 1 7.23 . . 1 . . . . . . . . 435 1 263 . 1 1 45 45 PHE HD2 H 1 7.23 . . 1 . . . . . . . . 435 1 264 . 1 1 45 45 PHE HE1 H 1 7.13 . . 1 . . . . . . . . 435 1 265 . 1 1 45 45 PHE HE2 H 1 7.13 . . 1 . . . . . . . . 435 1 266 . 1 1 45 45 PHE N N 15 123.2 . . 1 . . . . . . . . 435 1 267 . 1 1 46 46 VAL H H 1 7.45 . . 1 . . . . . . . . 435 1 268 . 1 1 46 46 VAL HA H 1 4.66 . . 1 . . . . . . . . 435 1 269 . 1 1 46 46 VAL N N 15 118.6 . . 1 . . . . . . . . 435 1 270 . 1 1 47 47 GLN H H 1 8.56 . . 1 . . . . . . . . 435 1 271 . 1 1 47 47 GLN N N 15 120.5 . . 1 . . . . . . . . 435 1 272 . 1 1 48 48 GLY H H 1 8.33 . . 1 . . . . . . . . 435 1 273 . 1 1 48 48 GLY HA2 H 1 4.12 . . 2 . . . . . . . . 435 1 274 . 1 1 48 48 GLY HA3 H 1 3.94 . . 2 . . . . . . . . 435 1 275 . 1 1 48 48 GLY N N 15 111.6 . . 1 . . . . . . . . 435 1 276 . 1 1 49 49 GLU H H 1 8.47 . . 1 . . . . . . . . 435 1 277 . 1 1 49 49 GLU HA H 1 4.35 . . 1 . . . . . . . . 435 1 278 . 1 1 49 49 GLU HB2 H 1 2.06 . . 2 . . . . . . . . 435 1 279 . 1 1 49 49 GLU HB3 H 1 1.92 . . 2 . . . . . . . . 435 1 280 . 1 1 49 49 GLU N N 15 121.3 . . 1 . . . . . . . . 435 1 281 . 1 1 50 50 GLU H H 1 8.51 . . 1 . . . . . . . . 435 1 282 . 1 1 50 50 GLU HA H 1 4.5 . . 1 . . . . . . . . 435 1 283 . 1 1 50 50 GLU HB2 H 1 2.09 . . 2 . . . . . . . . 435 1 284 . 1 1 50 50 GLU HB3 H 1 2.01 . . 2 . . . . . . . . 435 1 285 . 1 1 50 50 GLU HG2 H 1 2.34 . . 2 . . . . . . . . 435 1 286 . 1 1 50 50 GLU HG3 H 1 2.27 . . 2 . . . . . . . . 435 1 287 . 1 1 50 50 GLU N N 15 122.6 . . 1 . . . . . . . . 435 1 288 . 1 1 51 51 SER H H 1 8.39 . . 1 . . . . . . . . 435 1 289 . 1 1 51 51 SER HA H 1 4.63 . . 1 . . . . . . . . 435 1 290 . 1 1 51 51 SER HB2 H 1 3.97 . . 2 . . . . . . . . 435 1 291 . 1 1 51 51 SER HB3 H 1 3.88 . . 2 . . . . . . . . 435 1 292 . 1 1 51 51 SER N N 15 116.8 . . 1 . . . . . . . . 435 1 293 . 1 1 52 52 ASN H H 1 8.61 . . 1 . . . . . . . . 435 1 294 . 1 1 52 52 ASN HA H 1 4.6 . . 1 . . . . . . . . 435 1 295 . 1 1 52 52 ASN HB2 H 1 2.9 . . 2 . . . . . . . . 435 1 296 . 1 1 52 52 ASN HB3 H 1 2.83 . . 2 . . . . . . . . 435 1 297 . 1 1 52 52 ASN N N 15 119.7 . . 1 . . . . . . . . 435 1 298 . 1 1 53 53 ASP H H 1 8.53 . . 1 . . . . . . . . 435 1 299 . 1 1 53 53 ASP HA H 1 4.59 . . 1 . . . . . . . . 435 1 300 . 1 1 53 53 ASP HB2 H 1 2.77 . . 1 . . . . . . . . 435 1 301 . 1 1 53 53 ASP HB3 H 1 2.77 . . 1 . . . . . . . . 435 1 302 . 1 1 53 53 ASP N N 15 116.2 . . 1 . . . . . . . . 435 1 303 . 1 1 54 54 LYS H H 1 7.6 . . 1 . . . . . . . . 435 1 304 . 1 1 54 54 LYS HA H 1 4.69 . . 1 . . . . . . . . 435 1 305 . 1 1 54 54 LYS HB2 H 1 1.74 . . 2 . . . . . . . . 435 1 306 . 1 1 54 54 LYS HB3 H 1 1.51 . . 2 . . . . . . . . 435 1 307 . 1 1 54 54 LYS N N 15 118.8 . . 1 . . . . . . . . 435 1 308 . 1 1 55 55 ILE H H 1 8.37 . . 1 . . . . . . . . 435 1 309 . 1 1 55 55 ILE HA H 1 4.86 . . 1 . . . . . . . . 435 1 310 . 1 1 55 55 ILE HB H 1 2.09 . . 1 . . . . . . . . 435 1 311 . 1 1 55 55 ILE HG21 H 1 1.16 . . 1 . . . . . . . . 435 1 312 . 1 1 55 55 ILE HG22 H 1 1.16 . . 1 . . . . . . . . 435 1 313 . 1 1 55 55 ILE HG23 H 1 1.16 . . 1 . . . . . . . . 435 1 314 . 1 1 55 55 ILE N N 15 122.7 . . 1 . . . . . . . . 435 1 315 . 1 1 56 56 PRO HA H 1 5.37 . . 1 . . . . . . . . 435 1 316 . 1 1 56 56 PRO HB2 H 1 2.15 . . 2 . . . . . . . . 435 1 317 . 1 1 56 56 PRO HB3 H 1 1.83 . . 2 . . . . . . . . 435 1 318 . 1 1 56 56 PRO HG2 H 1 1.86 . . 1 . . . . . . . . 435 1 319 . 1 1 56 56 PRO HG3 H 1 1.86 . . 1 . . . . . . . . 435 1 320 . 1 1 56 56 PRO HD2 H 1 4 . . 2 . . . . . . . . 435 1 321 . 1 1 56 56 PRO HD3 H 1 3.96 . . 2 . . . . . . . . 435 1 322 . 1 1 57 57 VAL H H 1 10.01 . . 1 . . . . . . . . 435 1 323 . 1 1 57 57 VAL HA H 1 5.64 . . 1 . . . . . . . . 435 1 324 . 1 1 57 57 VAL HB H 1 2.08 . . 1 . . . . . . . . 435 1 325 . 1 1 57 57 VAL HG11 H 1 .82 . . 2 . . . . . . . . 435 1 326 . 1 1 57 57 VAL HG12 H 1 .82 . . 2 . . . . . . . . 435 1 327 . 1 1 57 57 VAL HG13 H 1 .82 . . 2 . . . . . . . . 435 1 328 . 1 1 57 57 VAL HG21 H 1 .73 . . 2 . . . . . . . . 435 1 329 . 1 1 57 57 VAL HG22 H 1 .73 . . 2 . . . . . . . . 435 1 330 . 1 1 57 57 VAL HG23 H 1 .73 . . 2 . . . . . . . . 435 1 331 . 1 1 57 57 VAL N N 15 117.8 . . 1 . . . . . . . . 435 1 332 . 1 1 58 58 ALA H H 1 8.68 . . 1 . . . . . . . . 435 1 333 . 1 1 58 58 ALA HA H 1 5.42 . . 1 . . . . . . . . 435 1 334 . 1 1 58 58 ALA HB1 H 1 1.51 . . 1 . . . . . . . . 435 1 335 . 1 1 58 58 ALA HB2 H 1 1.51 . . 1 . . . . . . . . 435 1 336 . 1 1 58 58 ALA HB3 H 1 1.51 . . 1 . . . . . . . . 435 1 337 . 1 1 58 58 ALA N N 15 120.9 . . 1 . . . . . . . . 435 1 338 . 1 1 59 59 LEU H H 1 10.53 . . 1 . . . . . . . . 435 1 339 . 1 1 59 59 LEU HA H 1 4.86 . . 1 . . . . . . . . 435 1 340 . 1 1 59 59 LEU HB2 H 1 1.51 . . 2 . . . . . . . . 435 1 341 . 1 1 59 59 LEU HB3 H 1 .86 . . 2 . . . . . . . . 435 1 342 . 1 1 59 59 LEU N N 15 124.3 . . 1 . . . . . . . . 435 1 343 . 1 1 60 60 GLY H H 1 8.26 . . 1 . . . . . . . . 435 1 344 . 1 1 60 60 GLY HA2 H 1 4.15 . . 2 . . . . . . . . 435 1 345 . 1 1 60 60 GLY HA3 H 1 2.38 . . 2 . . . . . . . . 435 1 346 . 1 1 60 60 GLY N N 15 109.9 . . 1 . . . . . . . . 435 1 347 . 1 1 61 61 LEU H H 1 8.22 . . 1 . . . . . . . . 435 1 348 . 1 1 61 61 LEU HA H 1 4.46 . . 1 . . . . . . . . 435 1 349 . 1 1 61 61 LEU HB2 H 1 1.41 . . 2 . . . . . . . . 435 1 350 . 1 1 61 61 LEU HB3 H 1 1.34 . . 2 . . . . . . . . 435 1 351 . 1 1 61 61 LEU N N 15 121.4 . . 1 . . . . . . . . 435 1 352 . 1 1 62 62 LYS H H 1 8.16 . . 1 . . . . . . . . 435 1 353 . 1 1 62 62 LYS HA H 1 3.84 . . 1 . . . . . . . . 435 1 354 . 1 1 62 62 LYS N N 15 126.3 . . 1 . . . . . . . . 435 1 355 . 1 1 63 63 GLU H H 1 8.9 . . 1 . . . . . . . . 435 1 356 . 1 1 63 63 GLU HA H 1 3.98 . . 1 . . . . . . . . 435 1 357 . 1 1 63 63 GLU HB2 H 1 2.24 . . 2 . . . . . . . . 435 1 358 . 1 1 63 63 GLU HB3 H 1 2.09 . . 2 . . . . . . . . 435 1 359 . 1 1 63 63 GLU N N 15 118.6 . . 1 . . . . . . . . 435 1 360 . 1 1 64 64 LYS H H 1 7.57 . . 1 . . . . . . . . 435 1 361 . 1 1 64 64 LYS HA H 1 4.48 . . 1 . . . . . . . . 435 1 362 . 1 1 64 64 LYS HB2 H 1 1.47 . . 1 . . . . . . . . 435 1 363 . 1 1 64 64 LYS HB3 H 1 1.47 . . 1 . . . . . . . . 435 1 364 . 1 1 64 64 LYS N N 15 115.1 . . 1 . . . . . . . . 435 1 365 . 1 1 65 65 ASN H H 1 8.4 . . 1 . . . . . . . . 435 1 366 . 1 1 65 65 ASN HA H 1 4.41 . . 1 . . . . . . . . 435 1 367 . 1 1 65 65 ASN HB2 H 1 3.14 . . 2 . . . . . . . . 435 1 368 . 1 1 65 65 ASN HB3 H 1 3.01 . . 2 . . . . . . . . 435 1 369 . 1 1 65 65 ASN N N 15 116.2 . . 1 . . . . . . . . 435 1 370 . 1 1 66 66 LEU H H 1 6.82 . . 1 . . . . . . . . 435 1 371 . 1 1 66 66 LEU HA H 1 5.34 . . 1 . . . . . . . . 435 1 372 . 1 1 66 66 LEU HB2 H 1 1.42 . . 2 . . . . . . . . 435 1 373 . 1 1 66 66 LEU HB3 H 1 1.17 . . 2 . . . . . . . . 435 1 374 . 1 1 66 66 LEU N N 15 115.7 . . 1 . . . . . . . . 435 1 375 . 1 1 67 67 TYR H H 1 9.18 . . 1 . . . . . . . . 435 1 376 . 1 1 67 67 TYR HA H 1 4.96 . . 1 . . . . . . . . 435 1 377 . 1 1 67 67 TYR HB2 H 1 3.08 . . 2 . . . . . . . . 435 1 378 . 1 1 67 67 TYR HB3 H 1 2.51 . . 2 . . . . . . . . 435 1 379 . 1 1 67 67 TYR HD1 H 1 6.88 . . 1 . . . . . . . . 435 1 380 . 1 1 67 67 TYR HD2 H 1 6.88 . . 1 . . . . . . . . 435 1 381 . 1 1 67 67 TYR HE1 H 1 6.51 . . 1 . . . . . . . . 435 1 382 . 1 1 67 67 TYR HE2 H 1 6.51 . . 1 . . . . . . . . 435 1 383 . 1 1 67 67 TYR N N 15 121.5 . . 1 . . . . . . . . 435 1 384 . 1 1 68 68 LEU H H 1 8.49 . . 1 . . . . . . . . 435 1 385 . 1 1 68 68 LEU HA H 1 4.84 . . 1 . . . . . . . . 435 1 386 . 1 1 68 68 LEU HB2 H 1 1.96 . . 2 . . . . . . . . 435 1 387 . 1 1 68 68 LEU HB3 H 1 1.66 . . 2 . . . . . . . . 435 1 388 . 1 1 68 68 LEU N N 15 121.8 . . 1 . . . . . . . . 435 1 389 . 1 1 69 69 SER H H 1 9.17 . . 1 . . . . . . . . 435 1 390 . 1 1 69 69 SER HA H 1 5.23 . . 1 . . . . . . . . 435 1 391 . 1 1 69 69 SER HB2 H 1 3.66 . . 2 . . . . . . . . 435 1 392 . 1 1 69 69 SER HB3 H 1 3.28 . . 2 . . . . . . . . 435 1 393 . 1 1 69 69 SER N N 15 115.8 . . 1 . . . . . . . . 435 1 394 . 1 1 70 70 CYS H H 1 8.35 . . 1 . . . . . . . . 435 1 395 . 1 1 70 70 CYS HA H 1 5.53 . . 1 . . . . . . . . 435 1 396 . 1 1 70 70 CYS HB2 H 1 2.86 . . 2 . . . . . . . . 435 1 397 . 1 1 70 70 CYS HB3 H 1 2.46 . . 2 . . . . . . . . 435 1 398 . 1 1 70 70 CYS N N 15 119.5 . . 1 . . . . . . . . 435 1 399 . 1 1 71 71 VAL H H 1 8.8 . . 1 . . . . . . . . 435 1 400 . 1 1 71 71 VAL HA H 1 4.58 . . 1 . . . . . . . . 435 1 401 . 1 1 71 71 VAL HB H 1 1.99 . . 1 . . . . . . . . 435 1 402 . 1 1 71 71 VAL HG11 H 1 .71 . . 2 . . . . . . . . 435 1 403 . 1 1 71 71 VAL HG12 H 1 .71 . . 2 . . . . . . . . 435 1 404 . 1 1 71 71 VAL HG13 H 1 .71 . . 2 . . . . . . . . 435 1 405 . 1 1 71 71 VAL HG21 H 1 .55 . . 2 . . . . . . . . 435 1 406 . 1 1 71 71 VAL HG22 H 1 .55 . . 2 . . . . . . . . 435 1 407 . 1 1 71 71 VAL HG23 H 1 .55 . . 2 . . . . . . . . 435 1 408 . 1 1 71 71 VAL N N 15 117 . . 1 . . . . . . . . 435 1 409 . 1 1 72 72 LEU H H 1 8.52 . . 1 . . . . . . . . 435 1 410 . 1 1 72 72 LEU HA H 1 4.17 . . 1 . . . . . . . . 435 1 411 . 1 1 72 72 LEU HB2 H 1 1.48 . . 2 . . . . . . . . 435 1 412 . 1 1 72 72 LEU HB3 H 1 1.36 . . 2 . . . . . . . . 435 1 413 . 1 1 72 72 LEU HG H 1 1.35 . . 1 . . . . . . . . 435 1 414 . 1 1 72 72 LEU HD11 H 1 .59 . . 2 . . . . . . . . 435 1 415 . 1 1 72 72 LEU HD12 H 1 .59 . . 2 . . . . . . . . 435 1 416 . 1 1 72 72 LEU HD13 H 1 .59 . . 2 . . . . . . . . 435 1 417 . 1 1 72 72 LEU HD21 H 1 .43 . . 2 . . . . . . . . 435 1 418 . 1 1 72 72 LEU HD22 H 1 .43 . . 2 . . . . . . . . 435 1 419 . 1 1 72 72 LEU HD23 H 1 .43 . . 2 . . . . . . . . 435 1 420 . 1 1 72 72 LEU N N 15 123.7 . . 1 . . . . . . . . 435 1 421 . 1 1 73 73 LYS H H 1 8.2 . . 1 . . . . . . . . 435 1 422 . 1 1 73 73 LYS HA H 1 4.39 . . 1 . . . . . . . . 435 1 423 . 1 1 73 73 LYS HB2 H 1 1.8 . . 2 . . . . . . . . 435 1 424 . 1 1 73 73 LYS HB3 H 1 1.53 . . 2 . . . . . . . . 435 1 425 . 1 1 73 73 LYS N N 15 126.4 . . 1 . . . . . . . . 435 1 426 . 1 1 74 74 ASP H H 1 9.22 . . 1 . . . . . . . . 435 1 427 . 1 1 74 74 ASP HA H 1 4.15 . . 1 . . . . . . . . 435 1 428 . 1 1 74 74 ASP HB2 H 1 2.81 . . 2 . . . . . . . . 435 1 429 . 1 1 74 74 ASP HB3 H 1 2.66 . . 2 . . . . . . . . 435 1 430 . 1 1 74 74 ASP N N 15 127.5 . . 1 . . . . . . . . 435 1 431 . 1 1 75 75 ASP H H 1 8.46 . . 1 . . . . . . . . 435 1 432 . 1 1 75 75 ASP HA H 1 4.07 . . 1 . . . . . . . . 435 1 433 . 1 1 75 75 ASP HB2 H 1 2.86 . . 2 . . . . . . . . 435 1 434 . 1 1 75 75 ASP HB3 H 1 2.79 . . 2 . . . . . . . . 435 1 435 . 1 1 75 75 ASP N N 15 109.9 . . 1 . . . . . . . . 435 1 436 . 1 1 76 76 LYS H H 1 7.71 . . 1 . . . . . . . . 435 1 437 . 1 1 76 76 LYS HA H 1 4.66 . . 1 . . . . . . . . 435 1 438 . 1 1 76 76 LYS HB2 H 1 1.67 . . 2 . . . . . . . . 435 1 439 . 1 1 76 76 LYS HB3 H 1 1.6 . . 2 . . . . . . . . 435 1 440 . 1 1 76 76 LYS N N 15 119.8 . . 1 . . . . . . . . 435 1 441 . 1 1 77 77 PRO HA H 1 3.19 . . 1 . . . . . . . . 435 1 442 . 1 1 77 77 PRO HD2 H 1 3.07 . . 1 . . . . . . . . 435 1 443 . 1 1 77 77 PRO HD3 H 1 3.07 . . 1 . . . . . . . . 435 1 444 . 1 1 78 78 THR H H 1 8.83 . . 1 . . . . . . . . 435 1 445 . 1 1 78 78 THR HA H 1 4.58 . . 1 . . . . . . . . 435 1 446 . 1 1 78 78 THR HB H 1 3.93 . . 1 . . . . . . . . 435 1 447 . 1 1 78 78 THR HG21 H 1 1.2 . . 1 . . . . . . . . 435 1 448 . 1 1 78 78 THR HG22 H 1 1.2 . . 1 . . . . . . . . 435 1 449 . 1 1 78 78 THR HG23 H 1 1.2 . . 1 . . . . . . . . 435 1 450 . 1 1 78 78 THR N N 15 120 . . 1 . . . . . . . . 435 1 451 . 1 1 79 79 LEU H H 1 8.83 . . 1 . . . . . . . . 435 1 452 . 1 1 79 79 LEU HA H 1 5.13 . . 1 . . . . . . . . 435 1 453 . 1 1 79 79 LEU HB2 H 1 2 . . 2 . . . . . . . . 435 1 454 . 1 1 79 79 LEU HB3 H 1 1.5 . . 2 . . . . . . . . 435 1 455 . 1 1 79 79 LEU HG H 1 1.6 . . 1 . . . . . . . . 435 1 456 . 1 1 79 79 LEU HD11 H 1 1.09 . . 2 . . . . . . . . 435 1 457 . 1 1 79 79 LEU HD12 H 1 1.09 . . 2 . . . . . . . . 435 1 458 . 1 1 79 79 LEU HD13 H 1 1.09 . . 2 . . . . . . . . 435 1 459 . 1 1 79 79 LEU HD21 H 1 .75 . . 2 . . . . . . . . 435 1 460 . 1 1 79 79 LEU HD22 H 1 .75 . . 2 . . . . . . . . 435 1 461 . 1 1 79 79 LEU HD23 H 1 .75 . . 2 . . . . . . . . 435 1 462 . 1 1 79 79 LEU N N 15 127.1 . . 1 . . . . . . . . 435 1 463 . 1 1 80 80 GLN H H 1 9.68 . . 1 . . . . . . . . 435 1 464 . 1 1 80 80 GLN HA H 1 4.98 . . 1 . . . . . . . . 435 1 465 . 1 1 80 80 GLN HB2 H 1 1.96 . . 1 . . . . . . . . 435 1 466 . 1 1 80 80 GLN HB3 H 1 1.96 . . 1 . . . . . . . . 435 1 467 . 1 1 80 80 GLN N N 15 126.3 . . 1 . . . . . . . . 435 1 468 . 1 1 81 81 LEU H H 1 8.44 . . 1 . . . . . . . . 435 1 469 . 1 1 81 81 LEU HA H 1 5.01 . . 1 . . . . . . . . 435 1 470 . 1 1 81 81 LEU HB2 H 1 1.83 . . 2 . . . . . . . . 435 1 471 . 1 1 81 81 LEU HB3 H 1 1.37 . . 2 . . . . . . . . 435 1 472 . 1 1 81 81 LEU HG H 1 1.59 . . 1 . . . . . . . . 435 1 473 . 1 1 81 81 LEU HD11 H 1 .72 . . 2 . . . . . . . . 435 1 474 . 1 1 81 81 LEU HD12 H 1 .72 . . 2 . . . . . . . . 435 1 475 . 1 1 81 81 LEU HD13 H 1 .72 . . 2 . . . . . . . . 435 1 476 . 1 1 81 81 LEU HD21 H 1 .71 . . 2 . . . . . . . . 435 1 477 . 1 1 81 81 LEU HD22 H 1 .71 . . 2 . . . . . . . . 435 1 478 . 1 1 81 81 LEU HD23 H 1 .71 . . 2 . . . . . . . . 435 1 479 . 1 1 81 81 LEU N N 15 122 . . 1 . . . . . . . . 435 1 480 . 1 1 82 82 GLU H H 1 9.17 . . 1 . . . . . . . . 435 1 481 . 1 1 82 82 GLU HA H 1 4.63 . . 1 . . . . . . . . 435 1 482 . 1 1 82 82 GLU HB2 H 1 2.1 . . 1 . . . . . . . . 435 1 483 . 1 1 82 82 GLU HB3 H 1 2.1 . . 1 . . . . . . . . 435 1 484 . 1 1 82 82 GLU N N 15 123.8 . . 1 . . . . . . . . 435 1 485 . 1 1 83 83 SER H H 1 8.71 . . 1 . . . . . . . . 435 1 486 . 1 1 83 83 SER HA H 1 5.15 . . 1 . . . . . . . . 435 1 487 . 1 1 83 83 SER HB2 H 1 3.92 . . 2 . . . . . . . . 435 1 488 . 1 1 83 83 SER HB3 H 1 3.9 . . 2 . . . . . . . . 435 1 489 . 1 1 83 83 SER N N 15 121.2 . . 1 . . . . . . . . 435 1 490 . 1 1 84 84 VAL H H 1 7.92 . . 1 . . . . . . . . 435 1 491 . 1 1 84 84 VAL HA H 1 4.59 . . 1 . . . . . . . . 435 1 492 . 1 1 84 84 VAL HB H 1 1.52 . . 1 . . . . . . . . 435 1 493 . 1 1 84 84 VAL N N 15 117.3 . . 1 . . . . . . . . 435 1 494 . 1 1 85 85 ASP H H 1 8.04 . . 1 . . . . . . . . 435 1 495 . 1 1 85 85 ASP HA H 1 4.9 . . 1 . . . . . . . . 435 1 496 . 1 1 85 85 ASP HB2 H 1 2.96 . . 2 . . . . . . . . 435 1 497 . 1 1 85 85 ASP HB3 H 1 2.69 . . 2 . . . . . . . . 435 1 498 . 1 1 85 85 ASP N N 15 122 . . 1 . . . . . . . . 435 1 499 . 1 1 87 87 LYS H H 1 8.38 . . 1 . . . . . . . . 435 1 500 . 1 1 87 87 LYS HA H 1 4.2 . . 1 . . . . . . . . 435 1 501 . 1 1 87 87 LYS HB2 H 1 1.8 . . 2 . . . . . . . . 435 1 502 . 1 1 87 87 LYS HB3 H 1 1.73 . . 2 . . . . . . . . 435 1 503 . 1 1 87 87 LYS N N 15 117.1 . . 1 . . . . . . . . 435 1 504 . 1 1 88 88 ASN H H 1 7.78 . . 1 . . . . . . . . 435 1 505 . 1 1 88 88 ASN HA H 1 4.75 . . 1 . . . . . . . . 435 1 506 . 1 1 88 88 ASN HB2 H 1 2.64 . . 2 . . . . . . . . 435 1 507 . 1 1 88 88 ASN HB3 H 1 2.5 . . 2 . . . . . . . . 435 1 508 . 1 1 88 88 ASN N N 15 114.5 . . 1 . . . . . . . . 435 1 509 . 1 1 89 89 TYR H H 1 7.3 . . 1 . . . . . . . . 435 1 510 . 1 1 89 89 TYR N N 15 116.7 . . 1 . . . . . . . . 435 1 511 . 1 1 90 90 PRO HA H 1 4.25 . . 1 . . . . . . . . 435 1 512 . 1 1 91 91 LYS H H 1 7.24 . . 1 . . . . . . . . 435 1 513 . 1 1 91 91 LYS HA H 1 4.41 . . 1 . . . . . . . . 435 1 514 . 1 1 91 91 LYS N N 15 117.3 . . 1 . . . . . . . . 435 1 515 . 1 1 92 92 LYS H H 1 8.29 . . 1 . . . . . . . . 435 1 516 . 1 1 92 92 LYS N N 15 119.3 . . 1 . . . . . . . . 435 1 517 . 1 1 93 93 LYS H H 1 7.8 . . 1 . . . . . . . . 435 1 518 . 1 1 93 93 LYS HA H 1 4.59 . . 1 . . . . . . . . 435 1 519 . 1 1 93 93 LYS HB2 H 1 1.75 . . 2 . . . . . . . . 435 1 520 . 1 1 93 93 LYS HB3 H 1 1.51 . . 2 . . . . . . . . 435 1 521 . 1 1 93 93 LYS HG2 H 1 1.3 . . 2 . . . . . . . . 435 1 522 . 1 1 93 93 LYS HG3 H 1 1.26 . . 2 . . . . . . . . 435 1 523 . 1 1 93 93 LYS N N 15 118 . . 1 . . . . . . . . 435 1 524 . 1 1 94 94 MET H H 1 7.64 . . 1 . . . . . . . . 435 1 525 . 1 1 94 94 MET HA H 1 4.23 . . 1 . . . . . . . . 435 1 526 . 1 1 94 94 MET N N 15 122.5 . . 1 . . . . . . . . 435 1 527 . 1 1 95 95 GLU H H 1 9.14 . . 1 . . . . . . . . 435 1 528 . 1 1 95 95 GLU HA H 1 4.09 . . 1 . . . . . . . . 435 1 529 . 1 1 95 95 GLU HB2 H 1 2.23 . . 2 . . . . . . . . 435 1 530 . 1 1 95 95 GLU HB3 H 1 2.08 . . 2 . . . . . . . . 435 1 531 . 1 1 95 95 GLU HG2 H 1 2.72 . . 2 . . . . . . . . 435 1 532 . 1 1 95 95 GLU HG3 H 1 2.44 . . 2 . . . . . . . . 435 1 533 . 1 1 95 95 GLU N N 15 122.7 . . 1 . . . . . . . . 435 1 534 . 1 1 96 96 LYS H H 1 8.23 . . 1 . . . . . . . . 435 1 535 . 1 1 96 96 LYS HA H 1 3.71 . . 1 . . . . . . . . 435 1 536 . 1 1 96 96 LYS HB2 H 1 1.71 . . 2 . . . . . . . . 435 1 537 . 1 1 96 96 LYS HB3 H 1 1.63 . . 2 . . . . . . . . 435 1 538 . 1 1 96 96 LYS HG2 H 1 1.3 . . 2 . . . . . . . . 435 1 539 . 1 1 96 96 LYS HG3 H 1 1.24 . . 2 . . . . . . . . 435 1 540 . 1 1 96 96 LYS N N 15 121.5 . . 1 . . . . . . . . 435 1 541 . 1 1 97 97 ARG H H 1 7.88 . . 1 . . . . . . . . 435 1 542 . 1 1 97 97 ARG HA H 1 3.91 . . 1 . . . . . . . . 435 1 543 . 1 1 97 97 ARG HB2 H 1 1.56 . . 2 . . . . . . . . 435 1 544 . 1 1 97 97 ARG HB3 H 1 1.49 . . 2 . . . . . . . . 435 1 545 . 1 1 97 97 ARG N N 15 114.2 . . 1 . . . . . . . . 435 1 546 . 1 1 98 98 PHE H H 1 7.84 . . 1 . . . . . . . . 435 1 547 . 1 1 98 98 PHE HA H 1 5.16 . . 1 . . . . . . . . 435 1 548 . 1 1 98 98 PHE HB2 H 1 3.69 . . 2 . . . . . . . . 435 1 549 . 1 1 98 98 PHE HB3 H 1 2.87 . . 2 . . . . . . . . 435 1 550 . 1 1 98 98 PHE HD1 H 1 7.51 . . 1 . . . . . . . . 435 1 551 . 1 1 98 98 PHE HD2 H 1 7.51 . . 1 . . . . . . . . 435 1 552 . 1 1 98 98 PHE HE1 H 1 7.04 . . 1 . . . . . . . . 435 1 553 . 1 1 98 98 PHE HE2 H 1 7.04 . . 1 . . . . . . . . 435 1 554 . 1 1 98 98 PHE HZ H 1 6.89 . . 1 . . . . . . . . 435 1 555 . 1 1 98 98 PHE N N 15 116.6 . . 1 . . . . . . . . 435 1 556 . 1 1 99 99 VAL H H 1 7.45 . . 1 . . . . . . . . 435 1 557 . 1 1 99 99 VAL HA H 1 4.36 . . 1 . . . . . . . . 435 1 558 . 1 1 99 99 VAL HB H 1 1.92 . . 1 . . . . . . . . 435 1 559 . 1 1 99 99 VAL HG11 H 1 .9 . . 2 . . . . . . . . 435 1 560 . 1 1 99 99 VAL HG12 H 1 .9 . . 2 . . . . . . . . 435 1 561 . 1 1 99 99 VAL HG13 H 1 .9 . . 2 . . . . . . . . 435 1 562 . 1 1 99 99 VAL HG21 H 1 .82 . . 2 . . . . . . . . 435 1 563 . 1 1 99 99 VAL HG22 H 1 .82 . . 2 . . . . . . . . 435 1 564 . 1 1 99 99 VAL HG23 H 1 .82 . . 2 . . . . . . . . 435 1 565 . 1 1 99 99 VAL N N 15 117.8 . . 1 . . . . . . . . 435 1 566 . 1 1 100 100 PHE H H 1 9.83 . . 1 . . . . . . . . 435 1 567 . 1 1 100 100 PHE HA H 1 5.15 . . 1 . . . . . . . . 435 1 568 . 1 1 100 100 PHE HB2 H 1 2.7 . . 2 . . . . . . . . 435 1 569 . 1 1 100 100 PHE HB3 H 1 2.67 . . 2 . . . . . . . . 435 1 570 . 1 1 100 100 PHE HD1 H 1 6.98 . . 1 . . . . . . . . 435 1 571 . 1 1 100 100 PHE HD2 H 1 6.98 . . 1 . . . . . . . . 435 1 572 . 1 1 100 100 PHE HE1 H 1 7.06 . . 1 . . . . . . . . 435 1 573 . 1 1 100 100 PHE HE2 H 1 7.06 . . 1 . . . . . . . . 435 1 574 . 1 1 100 100 PHE HZ H 1 6.81 . . 1 . . . . . . . . 435 1 575 . 1 1 100 100 PHE N N 15 127.2 . . 1 . . . . . . . . 435 1 576 . 1 1 101 101 ASN H H 1 10.38 . . 1 . . . . . . . . 435 1 577 . 1 1 101 101 ASN HA H 1 5.01 . . 1 . . . . . . . . 435 1 578 . 1 1 101 101 ASN HB2 H 1 2.92 . . 2 . . . . . . . . 435 1 579 . 1 1 101 101 ASN HB3 H 1 2.29 . . 2 . . . . . . . . 435 1 580 . 1 1 101 101 ASN N N 15 121.1 . . 1 . . . . . . . . 435 1 581 . 1 1 102 102 LYS H H 1 9.38 . . 1 . . . . . . . . 435 1 582 . 1 1 102 102 LYS HA H 1 4.64 . . 1 . . . . . . . . 435 1 583 . 1 1 102 102 LYS N N 15 127.7 . . 1 . . . . . . . . 435 1 584 . 1 1 103 103 ILE H H 1 9.23 . . 1 . . . . . . . . 435 1 585 . 1 1 103 103 ILE HA H 1 4.45 . . 1 . . . . . . . . 435 1 586 . 1 1 103 103 ILE HB H 1 1.74 . . 1 . . . . . . . . 435 1 587 . 1 1 103 103 ILE HG21 H 1 .9 . . 1 . . . . . . . . 435 1 588 . 1 1 103 103 ILE HG22 H 1 .9 . . 1 . . . . . . . . 435 1 589 . 1 1 103 103 ILE HG23 H 1 .9 . . 1 . . . . . . . . 435 1 590 . 1 1 103 103 ILE N N 15 133.7 . . 1 . . . . . . . . 435 1 591 . 1 1 104 104 GLU H H 1 8.48 . . 1 . . . . . . . . 435 1 592 . 1 1 104 104 GLU HA H 1 5.14 . . 1 . . . . . . . . 435 1 593 . 1 1 104 104 GLU HB2 H 1 1.94 . . 2 . . . . . . . . 435 1 594 . 1 1 104 104 GLU HB3 H 1 1.73 . . 2 . . . . . . . . 435 1 595 . 1 1 104 104 GLU HG2 H 1 2.14 . . 2 . . . . . . . . 435 1 596 . 1 1 104 104 GLU HG3 H 1 2.05 . . 2 . . . . . . . . 435 1 597 . 1 1 104 104 GLU N N 15 126.8 . . 1 . . . . . . . . 435 1 598 . 1 1 105 105 ILE H H 1 8.67 . . 1 . . . . . . . . 435 1 599 . 1 1 105 105 ILE HA H 1 4.33 . . 1 . . . . . . . . 435 1 600 . 1 1 105 105 ILE HB H 1 1.68 . . 1 . . . . . . . . 435 1 601 . 1 1 105 105 ILE HG12 H 1 1.36 . . 2 . . . . . . . . 435 1 602 . 1 1 105 105 ILE HG13 H 1 1.03 . . 2 . . . . . . . . 435 1 603 . 1 1 105 105 ILE HG21 H 1 .8 . . 1 . . . . . . . . 435 1 604 . 1 1 105 105 ILE HG22 H 1 .8 . . 1 . . . . . . . . 435 1 605 . 1 1 105 105 ILE HG23 H 1 .8 . . 1 . . . . . . . . 435 1 606 . 1 1 105 105 ILE HD11 H 1 .78 . . 1 . . . . . . . . 435 1 607 . 1 1 105 105 ILE HD12 H 1 .78 . . 1 . . . . . . . . 435 1 608 . 1 1 105 105 ILE HD13 H 1 .78 . . 1 . . . . . . . . 435 1 609 . 1 1 105 105 ILE N N 15 125.6 . . 1 . . . . . . . . 435 1 610 . 1 1 106 106 ASN H H 1 9.28 . . 1 . . . . . . . . 435 1 611 . 1 1 106 106 ASN HA H 1 4.27 . . 1 . . . . . . . . 435 1 612 . 1 1 106 106 ASN HB2 H 1 2.99 . . 2 . . . . . . . . 435 1 613 . 1 1 106 106 ASN HB3 H 1 2.72 . . 2 . . . . . . . . 435 1 614 . 1 1 106 106 ASN N N 15 126.4 . . 1 . . . . . . . . 435 1 615 . 1 1 107 107 ASN H H 1 8.81 . . 1 . . . . . . . . 435 1 616 . 1 1 107 107 ASN HA H 1 4.38 . . 1 . . . . . . . . 435 1 617 . 1 1 107 107 ASN HB2 H 1 3.02 . . 1 . . . . . . . . 435 1 618 . 1 1 107 107 ASN HB3 H 1 3.02 . . 1 . . . . . . . . 435 1 619 . 1 1 107 107 ASN N N 15 110.7 . . 1 . . . . . . . . 435 1 620 . 1 1 108 108 LYS H H 1 8.03 . . 1 . . . . . . . . 435 1 621 . 1 1 108 108 LYS HA H 1 4.78 . . 1 . . . . . . . . 435 1 622 . 1 1 108 108 LYS HB2 H 1 1.85 . . 2 . . . . . . . . 435 1 623 . 1 1 108 108 LYS HB3 H 1 1.83 . . 2 . . . . . . . . 435 1 624 . 1 1 108 108 LYS N N 15 120.1 . . 1 . . . . . . . . 435 1 625 . 1 1 109 109 LEU H H 1 9.43 . . 1 . . . . . . . . 435 1 626 . 1 1 109 109 LEU HA H 1 5.42 . . 1 . . . . . . . . 435 1 627 . 1 1 109 109 LEU HB2 H 1 1.36 . . 2 . . . . . . . . 435 1 628 . 1 1 109 109 LEU HB3 H 1 .94 . . 2 . . . . . . . . 435 1 629 . 1 1 109 109 LEU HG H 1 1.54 . . 1 . . . . . . . . 435 1 630 . 1 1 109 109 LEU HD11 H 1 .77 . . 2 . . . . . . . . 435 1 631 . 1 1 109 109 LEU HD12 H 1 .77 . . 2 . . . . . . . . 435 1 632 . 1 1 109 109 LEU HD13 H 1 .77 . . 2 . . . . . . . . 435 1 633 . 1 1 109 109 LEU HD21 H 1 .73 . . 2 . . . . . . . . 435 1 634 . 1 1 109 109 LEU HD22 H 1 .73 . . 2 . . . . . . . . 435 1 635 . 1 1 109 109 LEU HD23 H 1 .73 . . 2 . . . . . . . . 435 1 636 . 1 1 109 109 LEU N N 15 121 . . 1 . . . . . . . . 435 1 637 . 1 1 110 110 GLU H H 1 8.76 . . 1 . . . . . . . . 435 1 638 . 1 1 110 110 GLU HA H 1 5 . . 1 . . . . . . . . 435 1 639 . 1 1 110 110 GLU HB2 H 1 1.99 . . 1 . . . . . . . . 435 1 640 . 1 1 110 110 GLU HB3 H 1 1.99 . . 1 . . . . . . . . 435 1 641 . 1 1 110 110 GLU N N 15 117.8 . . 1 . . . . . . . . 435 1 642 . 1 1 111 111 PHE H H 1 10.28 . . 1 . . . . . . . . 435 1 643 . 1 1 111 111 PHE HA H 1 5.23 . . 1 . . . . . . . . 435 1 644 . 1 1 111 111 PHE HB2 H 1 2.54 . . 2 . . . . . . . . 435 1 645 . 1 1 111 111 PHE HB3 H 1 2.36 . . 2 . . . . . . . . 435 1 646 . 1 1 111 111 PHE HD1 H 1 6.62 . . 1 . . . . . . . . 435 1 647 . 1 1 111 111 PHE HD2 H 1 6.62 . . 1 . . . . . . . . 435 1 648 . 1 1 111 111 PHE HE1 H 1 6.65 . . 1 . . . . . . . . 435 1 649 . 1 1 111 111 PHE HE2 H 1 6.65 . . 1 . . . . . . . . 435 1 650 . 1 1 111 111 PHE N N 15 119.5 . . 1 . . . . . . . . 435 1 651 . 1 1 112 112 GLU H H 1 8.82 . . 1 . . . . . . . . 435 1 652 . 1 1 112 112 GLU HA H 1 4.47 . . 1 . . . . . . . . 435 1 653 . 1 1 112 112 GLU N N 15 126.2 . . 1 . . . . . . . . 435 1 654 . 1 1 113 113 SER H H 1 9.14 . . 1 . . . . . . . . 435 1 655 . 1 1 113 113 SER HA H 1 3.9 . . 1 . . . . . . . . 435 1 656 . 1 1 113 113 SER HB2 H 1 4.37 . . 2 . . . . . . . . 435 1 657 . 1 1 113 113 SER HB3 H 1 4.1 . . 2 . . . . . . . . 435 1 658 . 1 1 113 113 SER N N 15 121.9 . . 1 . . . . . . . . 435 1 659 . 1 1 114 114 ALA H H 1 8.12 . . 1 . . . . . . . . 435 1 660 . 1 1 114 114 ALA HA H 1 4.05 . . 1 . . . . . . . . 435 1 661 . 1 1 114 114 ALA HB1 H 1 1.17 . . 1 . . . . . . . . 435 1 662 . 1 1 114 114 ALA HB2 H 1 1.17 . . 1 . . . . . . . . 435 1 663 . 1 1 114 114 ALA HB3 H 1 1.17 . . 1 . . . . . . . . 435 1 664 . 1 1 114 114 ALA N N 15 128.5 . . 1 . . . . . . . . 435 1 665 . 1 1 115 115 GLN H H 1 7.87 . . 1 . . . . . . . . 435 1 666 . 1 1 115 115 GLN HA H 1 3.61 . . 1 . . . . . . . . 435 1 667 . 1 1 115 115 GLN HB2 H 1 1.42 . . 2 . . . . . . . . 435 1 668 . 1 1 115 115 GLN HB3 H 1 .98 . . 2 . . . . . . . . 435 1 669 . 1 1 115 115 GLN N N 15 116.9 . . 1 . . . . . . . . 435 1 670 . 1 1 116 116 PHE H H 1 7.38 . . 1 . . . . . . . . 435 1 671 . 1 1 116 116 PHE HA H 1 4.86 . . 1 . . . . . . . . 435 1 672 . 1 1 116 116 PHE HB2 H 1 2.64 . . 2 . . . . . . . . 435 1 673 . 1 1 116 116 PHE HB3 H 1 2.58 . . 2 . . . . . . . . 435 1 674 . 1 1 116 116 PHE HD1 H 1 6.91 . . 1 . . . . . . . . 435 1 675 . 1 1 116 116 PHE HD2 H 1 6.91 . . 1 . . . . . . . . 435 1 676 . 1 1 116 116 PHE HE1 H 1 6.81 . . 1 . . . . . . . . 435 1 677 . 1 1 116 116 PHE HE2 H 1 6.81 . . 1 . . . . . . . . 435 1 678 . 1 1 116 116 PHE N N 15 116.9 . . 1 . . . . . . . . 435 1 679 . 1 1 117 117 PRO HA H 1 4.4 . . 1 . . . . . . . . 435 1 680 . 1 1 117 117 PRO HB2 H 1 2.29 . . 1 . . . . . . . . 435 1 681 . 1 1 117 117 PRO HB3 H 1 2.29 . . 1 . . . . . . . . 435 1 682 . 1 1 117 117 PRO HG2 H 1 3.54 . . 2 . . . . . . . . 435 1 683 . 1 1 117 117 PRO HG3 H 1 3.31 . . 2 . . . . . . . . 435 1 684 . 1 1 117 117 PRO HD2 H 1 2 . . 2 . . . . . . . . 435 1 685 . 1 1 117 117 PRO HD3 H 1 1.87 . . 2 . . . . . . . . 435 1 686 . 1 1 118 118 ASN H H 1 10.23 . . 1 . . . . . . . . 435 1 687 . 1 1 118 118 ASN HA H 1 4.04 . . 1 . . . . . . . . 435 1 688 . 1 1 118 118 ASN HB2 H 1 3.37 . . 2 . . . . . . . . 435 1 689 . 1 1 118 118 ASN HB3 H 1 3.03 . . 2 . . . . . . . . 435 1 690 . 1 1 118 118 ASN N N 15 114.1 . . 1 . . . . . . . . 435 1 691 . 1 1 119 119 TRP H H 1 8.11 . . 1 . . . . . . . . 435 1 692 . 1 1 119 119 TRP HA H 1 4.98 . . 1 . . . . . . . . 435 1 693 . 1 1 119 119 TRP HB2 H 1 3.67 . . 2 . . . . . . . . 435 1 694 . 1 1 119 119 TRP HB3 H 1 2.92 . . 2 . . . . . . . . 435 1 695 . 1 1 119 119 TRP HD1 H 1 7.3 . . 1 . . . . . . . . 435 1 696 . 1 1 119 119 TRP HE1 H 1 10.01 . . 1 . . . . . . . . 435 1 697 . 1 1 119 119 TRP HE3 H 1 7.1 . . 1 . . . . . . . . 435 1 698 . 1 1 119 119 TRP HZ2 H 1 7.45 . . 1 . . . . . . . . 435 1 699 . 1 1 119 119 TRP HZ3 H 1 7.21 . . 1 . . . . . . . . 435 1 700 . 1 1 119 119 TRP HH2 H 1 7.21 . . 1 . . . . . . . . 435 1 701 . 1 1 119 119 TRP N N 15 119.7 . . 1 . . . . . . . . 435 1 702 . 1 1 120 120 TYR H H 1 9.4 . . 1 . . . . . . . . 435 1 703 . 1 1 120 120 TYR HA H 1 5.64 . . 1 . . . . . . . . 435 1 704 . 1 1 120 120 TYR HB2 H 1 3.5 . . 2 . . . . . . . . 435 1 705 . 1 1 120 120 TYR HB3 H 1 2.41 . . 2 . . . . . . . . 435 1 706 . 1 1 120 120 TYR HD1 H 1 7.01 . . 1 . . . . . . . . 435 1 707 . 1 1 120 120 TYR HD2 H 1 7.01 . . 1 . . . . . . . . 435 1 708 . 1 1 120 120 TYR HE1 H 1 6.63 . . 1 . . . . . . . . 435 1 709 . 1 1 120 120 TYR HE2 H 1 6.63 . . 1 . . . . . . . . 435 1 710 . 1 1 120 120 TYR N N 15 119.4 . . 1 . . . . . . . . 435 1 711 . 1 1 121 121 ILE H H 1 8.65 . . 1 . . . . . . . . 435 1 712 . 1 1 121 121 ILE HA H 1 3.84 . . 1 . . . . . . . . 435 1 713 . 1 1 121 121 ILE HB H 1 1.62 . . 1 . . . . . . . . 435 1 714 . 1 1 121 121 ILE HG21 H 1 .41 . . 1 . . . . . . . . 435 1 715 . 1 1 121 121 ILE HG22 H 1 .41 . . 1 . . . . . . . . 435 1 716 . 1 1 121 121 ILE HG23 H 1 .41 . . 1 . . . . . . . . 435 1 717 . 1 1 121 121 ILE N N 15 124.6 . . 1 . . . . . . . . 435 1 718 . 1 1 122 122 SER H H 1 8.98 . . 1 . . . . . . . . 435 1 719 . 1 1 122 122 SER HA H 1 5.82 . . 1 . . . . . . . . 435 1 720 . 1 1 122 122 SER HB2 H 1 3 . . 2 . . . . . . . . 435 1 721 . 1 1 122 122 SER HB3 H 1 2.06 . . 2 . . . . . . . . 435 1 722 . 1 1 122 122 SER N N 15 122.5 . . 1 . . . . . . . . 435 1 723 . 1 1 123 123 THR H H 1 8.99 . . 1 . . . . . . . . 435 1 724 . 1 1 123 123 THR HA H 1 4.83 . . 1 . . . . . . . . 435 1 725 . 1 1 123 123 THR HB H 1 4.39 . . 1 . . . . . . . . 435 1 726 . 1 1 123 123 THR HG21 H 1 1.16 . . 1 . . . . . . . . 435 1 727 . 1 1 123 123 THR HG22 H 1 1.16 . . 1 . . . . . . . . 435 1 728 . 1 1 123 123 THR HG23 H 1 1.16 . . 1 . . . . . . . . 435 1 729 . 1 1 123 123 THR N N 15 109.9 . . 1 . . . . . . . . 435 1 730 . 1 1 124 124 SER H H 1 9.55 . . 1 . . . . . . . . 435 1 731 . 1 1 124 124 SER HA H 1 4.97 . . 1 . . . . . . . . 435 1 732 . 1 1 124 124 SER HB2 H 1 3.98 . . 2 . . . . . . . . 435 1 733 . 1 1 124 124 SER HB3 H 1 3.93 . . 2 . . . . . . . . 435 1 734 . 1 1 124 124 SER N N 15 113.8 . . 1 . . . . . . . . 435 1 735 . 1 1 125 125 GLN H H 1 8.87 . . 1 . . . . . . . . 435 1 736 . 1 1 125 125 GLN HA H 1 3.98 . . 1 . . . . . . . . 435 1 737 . 1 1 125 125 GLN HB2 H 1 2.24 . . 2 . . . . . . . . 435 1 738 . 1 1 125 125 GLN HB3 H 1 2.01 . . 2 . . . . . . . . 435 1 739 . 1 1 125 125 GLN HG2 H 1 2.63 . . 2 . . . . . . . . 435 1 740 . 1 1 125 125 GLN HG3 H 1 2.38 . . 2 . . . . . . . . 435 1 741 . 1 1 125 125 GLN N N 15 122.1 . . 1 . . . . . . . . 435 1 742 . 1 1 126 126 ALA H H 1 8.17 . . 1 . . . . . . . . 435 1 743 . 1 1 126 126 ALA HA H 1 4.38 . . 1 . . . . . . . . 435 1 744 . 1 1 126 126 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 435 1 745 . 1 1 126 126 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 435 1 746 . 1 1 126 126 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 435 1 747 . 1 1 126 126 ALA N N 15 120 . . 1 . . . . . . . . 435 1 748 . 1 1 127 127 GLU H H 1 8.44 . . 1 . . . . . . . . 435 1 749 . 1 1 127 127 GLU HA H 1 4.04 . . 1 . . . . . . . . 435 1 750 . 1 1 127 127 GLU HB2 H 1 2.27 . . 2 . . . . . . . . 435 1 751 . 1 1 127 127 GLU HB3 H 1 1.96 . . 2 . . . . . . . . 435 1 752 . 1 1 127 127 GLU N N 15 117.2 . . 1 . . . . . . . . 435 1 753 . 1 1 128 128 ASN H H 1 8.06 . . 1 . . . . . . . . 435 1 754 . 1 1 128 128 ASN HA H 1 4.18 . . 1 . . . . . . . . 435 1 755 . 1 1 128 128 ASN HB2 H 1 3.31 . . 2 . . . . . . . . 435 1 756 . 1 1 128 128 ASN HB3 H 1 2.55 . . 2 . . . . . . . . 435 1 757 . 1 1 128 128 ASN N N 15 114.1 . . 1 . . . . . . . . 435 1 758 . 1 1 129 129 MET H H 1 8.84 . . 1 . . . . . . . . 435 1 759 . 1 1 129 129 MET HA H 1 5.23 . . 1 . . . . . . . . 435 1 760 . 1 1 129 129 MET HB2 H 1 2.36 . . 2 . . . . . . . . 435 1 761 . 1 1 129 129 MET HB3 H 1 2.15 . . 2 . . . . . . . . 435 1 762 . 1 1 129 129 MET N N 15 117.7 . . 1 . . . . . . . . 435 1 763 . 1 1 130 130 PRO HA H 1 5.2 . . 1 . . . . . . . . 435 1 764 . 1 1 130 130 PRO HD2 H 1 3.94 . . 2 . . . . . . . . 435 1 765 . 1 1 130 130 PRO HD3 H 1 3.78 . . 2 . . . . . . . . 435 1 766 . 1 1 131 131 VAL H H 1 8.01 . . 1 . . . . . . . . 435 1 767 . 1 1 131 131 VAL HA H 1 4.42 . . 1 . . . . . . . . 435 1 768 . 1 1 131 131 VAL HB H 1 1.75 . . 1 . . . . . . . . 435 1 769 . 1 1 131 131 VAL HG11 H 1 .86 . . 1 . . . . . . . . 435 1 770 . 1 1 131 131 VAL HG12 H 1 .86 . . 1 . . . . . . . . 435 1 771 . 1 1 131 131 VAL HG13 H 1 .86 . . 1 . . . . . . . . 435 1 772 . 1 1 131 131 VAL HG21 H 1 .86 . . 1 . . . . . . . . 435 1 773 . 1 1 131 131 VAL HG22 H 1 .86 . . 1 . . . . . . . . 435 1 774 . 1 1 131 131 VAL HG23 H 1 .86 . . 1 . . . . . . . . 435 1 775 . 1 1 131 131 VAL N N 15 125.4 . . 1 . . . . . . . . 435 1 776 . 1 1 132 132 PHE H H 1 8.65 . . 1 . . . . . . . . 435 1 777 . 1 1 132 132 PHE HA H 1 5.27 . . 1 . . . . . . . . 435 1 778 . 1 1 132 132 PHE HB2 H 1 3.3 . . 2 . . . . . . . . 435 1 779 . 1 1 132 132 PHE HB3 H 1 2.97 . . 2 . . . . . . . . 435 1 780 . 1 1 132 132 PHE HD1 H 1 7.31 . . 1 . . . . . . . . 435 1 781 . 1 1 132 132 PHE HD2 H 1 7.31 . . 1 . . . . . . . . 435 1 782 . 1 1 132 132 PHE HE1 H 1 7.23 . . 1 . . . . . . . . 435 1 783 . 1 1 132 132 PHE HE2 H 1 7.23 . . 1 . . . . . . . . 435 1 784 . 1 1 132 132 PHE HZ H 1 7.13 . . 1 . . . . . . . . 435 1 785 . 1 1 132 132 PHE N N 15 124.6 . . 1 . . . . . . . . 435 1 786 . 1 1 133 133 LEU H H 1 8.58 . . 1 . . . . . . . . 435 1 787 . 1 1 133 133 LEU HA H 1 5.21 . . 1 . . . . . . . . 435 1 788 . 1 1 133 133 LEU N N 15 119.7 . . 1 . . . . . . . . 435 1 789 . 1 1 134 134 GLY H H 1 9.34 . . 1 . . . . . . . . 435 1 790 . 1 1 134 134 GLY HA2 H 1 4.92 . . 2 . . . . . . . . 435 1 791 . 1 1 134 134 GLY HA3 H 1 4.02 . . 2 . . . . . . . . 435 1 792 . 1 1 134 134 GLY N N 15 114.9 . . 1 . . . . . . . . 435 1 793 . 1 1 135 135 GLY H H 1 8.75 . . 1 . . . . . . . . 435 1 794 . 1 1 135 135 GLY HA2 H 1 3.84 . . 2 . . . . . . . . 435 1 795 . 1 1 135 135 GLY HA3 H 1 2.93 . . 2 . . . . . . . . 435 1 796 . 1 1 135 135 GLY N N 15 111.2 . . 1 . . . . . . . . 435 1 797 . 1 1 136 136 THR H H 1 7.46 . . 1 . . . . . . . . 435 1 798 . 1 1 136 136 THR HA H 1 4.31 . . 1 . . . . . . . . 435 1 799 . 1 1 136 136 THR HB H 1 3.99 . . 1 . . . . . . . . 435 1 800 . 1 1 136 136 THR HG21 H 1 .96 . . 1 . . . . . . . . 435 1 801 . 1 1 136 136 THR HG22 H 1 .96 . . 1 . . . . . . . . 435 1 802 . 1 1 136 136 THR HG23 H 1 .96 . . 1 . . . . . . . . 435 1 803 . 1 1 136 136 THR N N 15 112.1 . . 1 . . . . . . . . 435 1 804 . 1 1 137 137 LYS H H 1 8.37 . . 1 . . . . . . . . 435 1 805 . 1 1 137 137 LYS HA H 1 4.29 . . 1 . . . . . . . . 435 1 806 . 1 1 137 137 LYS HB2 H 1 1.56 . . 2 . . . . . . . . 435 1 807 . 1 1 137 137 LYS HB3 H 1 1.53 . . 2 . . . . . . . . 435 1 808 . 1 1 137 137 LYS N N 15 124.4 . . 1 . . . . . . . . 435 1 809 . 1 1 138 138 GLY H H 1 8.63 . . 1 . . . . . . . . 435 1 810 . 1 1 138 138 GLY HA2 H 1 4.02 . . 2 . . . . . . . . 435 1 811 . 1 1 138 138 GLY HA3 H 1 3.83 . . 2 . . . . . . . . 435 1 812 . 1 1 138 138 GLY N N 15 111.5 . . 1 . . . . . . . . 435 1 813 . 1 1 139 139 GLY H H 1 8.15 . . 1 . . . . . . . . 435 1 814 . 1 1 139 139 GLY HA2 H 1 4.2 . . 2 . . . . . . . . 435 1 815 . 1 1 139 139 GLY HA3 H 1 3.78 . . 2 . . . . . . . . 435 1 816 . 1 1 139 139 GLY N N 15 109 . . 1 . . . . . . . . 435 1 817 . 1 1 140 140 GLN H H 1 8.4 . . 1 . . . . . . . . 435 1 818 . 1 1 140 140 GLN HA H 1 4.29 . . 1 . . . . . . . . 435 1 819 . 1 1 140 140 GLN HB2 H 1 2.2 . . 2 . . . . . . . . 435 1 820 . 1 1 140 140 GLN HB3 H 1 2 . . 2 . . . . . . . . 435 1 821 . 1 1 140 140 GLN N N 15 119.7 . . 1 . . . . . . . . 435 1 822 . 1 1 141 141 ASP H H 1 7.79 . . 1 . . . . . . . . 435 1 823 . 1 1 141 141 ASP HA H 1 4.93 . . 1 . . . . . . . . 435 1 824 . 1 1 141 141 ASP HB2 H 1 2.82 . . 2 . . . . . . . . 435 1 825 . 1 1 141 141 ASP HB3 H 1 2.57 . . 2 . . . . . . . . 435 1 826 . 1 1 141 141 ASP N N 15 119.6 . . 1 . . . . . . . . 435 1 827 . 1 1 142 142 ILE H H 1 9.18 . . 1 . . . . . . . . 435 1 828 . 1 1 142 142 ILE HA H 1 3.92 . . 1 . . . . . . . . 435 1 829 . 1 1 142 142 ILE HB H 1 2.41 . . 1 . . . . . . . . 435 1 830 . 1 1 142 142 ILE HG21 H 1 .78 . . 1 . . . . . . . . 435 1 831 . 1 1 142 142 ILE HG22 H 1 .78 . . 1 . . . . . . . . 435 1 832 . 1 1 142 142 ILE HG23 H 1 .78 . . 1 . . . . . . . . 435 1 833 . 1 1 142 142 ILE N N 15 125.5 . . 1 . . . . . . . . 435 1 834 . 1 1 143 143 THR H H 1 8.12 . . 1 . . . . . . . . 435 1 835 . 1 1 143 143 THR HA H 1 4.99 . . 1 . . . . . . . . 435 1 836 . 1 1 143 143 THR HB H 1 4.39 . . 1 . . . . . . . . 435 1 837 . 1 1 143 143 THR HG21 H 1 .96 . . 1 . . . . . . . . 435 1 838 . 1 1 143 143 THR HG22 H 1 .96 . . 1 . . . . . . . . 435 1 839 . 1 1 143 143 THR HG23 H 1 .96 . . 1 . . . . . . . . 435 1 840 . 1 1 143 143 THR N N 15 111.8 . . 1 . . . . . . . . 435 1 841 . 1 1 144 144 ASP H H 1 7.1 . . 1 . . . . . . . . 435 1 842 . 1 1 144 144 ASP HA H 1 5.58 . . 1 . . . . . . . . 435 1 843 . 1 1 144 144 ASP HB2 H 1 2.54 . . 2 . . . . . . . . 435 1 844 . 1 1 144 144 ASP HB3 H 1 2.42 . . 2 . . . . . . . . 435 1 845 . 1 1 144 144 ASP N N 15 120.6 . . 1 . . . . . . . . 435 1 846 . 1 1 145 145 PHE H H 1 9.55 . . 1 . . . . . . . . 435 1 847 . 1 1 145 145 PHE HA H 1 5.22 . . 1 . . . . . . . . 435 1 848 . 1 1 145 145 PHE HB2 H 1 3.09 . . 2 . . . . . . . . 435 1 849 . 1 1 145 145 PHE HB3 H 1 2.63 . . 2 . . . . . . . . 435 1 850 . 1 1 145 145 PHE HD1 H 1 7.01 . . 1 . . . . . . . . 435 1 851 . 1 1 145 145 PHE HD2 H 1 7.01 . . 1 . . . . . . . . 435 1 852 . 1 1 145 145 PHE HE1 H 1 7.11 . . 1 . . . . . . . . 435 1 853 . 1 1 145 145 PHE HE2 H 1 7.11 . . 1 . . . . . . . . 435 1 854 . 1 1 145 145 PHE HZ H 1 6.81 . . 1 . . . . . . . . 435 1 855 . 1 1 145 145 PHE N N 15 118 . . 1 . . . . . . . . 435 1 856 . 1 1 146 146 THR H H 1 9.47 . . 1 . . . . . . . . 435 1 857 . 1 1 146 146 THR HA H 1 4.74 . . 1 . . . . . . . . 435 1 858 . 1 1 146 146 THR HB H 1 4.19 . . 1 . . . . . . . . 435 1 859 . 1 1 146 146 THR HG21 H 1 1.22 . . 1 . . . . . . . . 435 1 860 . 1 1 146 146 THR HG22 H 1 1.22 . . 1 . . . . . . . . 435 1 861 . 1 1 146 146 THR HG23 H 1 1.22 . . 1 . . . . . . . . 435 1 862 . 1 1 146 146 THR N N 15 110 . . 1 . . . . . . . . 435 1 863 . 1 1 147 147 MET H H 1 8.67 . . 1 . . . . . . . . 435 1 864 . 1 1 147 147 MET HA H 1 5.39 . . 1 . . . . . . . . 435 1 865 . 1 1 147 147 MET HB2 H 1 1.78 . . 1 . . . . . . . . 435 1 866 . 1 1 147 147 MET HB3 H 1 1.78 . . 1 . . . . . . . . 435 1 867 . 1 1 147 147 MET N N 15 121.3 . . 1 . . . . . . . . 435 1 868 . 1 1 148 148 GLN H H 1 8.43 . . 1 . . . . . . . . 435 1 869 . 1 1 148 148 GLN HA H 1 4.63 . . 1 . . . . . . . . 435 1 870 . 1 1 148 148 GLN HB2 H 1 2.07 . . 1 . . . . . . . . 435 1 871 . 1 1 148 148 GLN HB3 H 1 2.07 . . 1 . . . . . . . . 435 1 872 . 1 1 148 148 GLN N N 15 123.7 . . 1 . . . . . . . . 435 1 873 . 1 1 149 149 PHE H H 1 8.72 . . 1 . . . . . . . . 435 1 874 . 1 1 149 149 PHE HA H 1 4.77 . . 1 . . . . . . . . 435 1 875 . 1 1 149 149 PHE HB2 H 1 3.26 . . 2 . . . . . . . . 435 1 876 . 1 1 149 149 PHE HB3 H 1 3.03 . . 2 . . . . . . . . 435 1 877 . 1 1 149 149 PHE HD1 H 1 7.33 . . 1 . . . . . . . . 435 1 878 . 1 1 149 149 PHE HD2 H 1 7.33 . . 1 . . . . . . . . 435 1 879 . 1 1 149 149 PHE HE1 H 1 7.39 . . 1 . . . . . . . . 435 1 880 . 1 1 149 149 PHE HE2 H 1 7.39 . . 1 . . . . . . . . 435 1 881 . 1 1 149 149 PHE N N 15 123.7 . . 1 . . . . . . . . 435 1 882 . 1 1 150 150 VAL H H 1 8.05 . . 1 . . . . . . . . 435 1 883 . 1 1 150 150 VAL HA H 1 4.36 . . 1 . . . . . . . . 435 1 884 . 1 1 150 150 VAL HB H 1 1.84 . . 1 . . . . . . . . 435 1 885 . 1 1 150 150 VAL HG11 H 1 .95 . . 2 . . . . . . . . 435 1 886 . 1 1 150 150 VAL HG12 H 1 .95 . . 2 . . . . . . . . 435 1 887 . 1 1 150 150 VAL HG13 H 1 .95 . . 2 . . . . . . . . 435 1 888 . 1 1 150 150 VAL HG21 H 1 .9 . . 2 . . . . . . . . 435 1 889 . 1 1 150 150 VAL HG22 H 1 .9 . . 2 . . . . . . . . 435 1 890 . 1 1 150 150 VAL HG23 H 1 .9 . . 2 . . . . . . . . 435 1 891 . 1 1 150 150 VAL N N 15 122.6 . . 1 . . . . . . . . 435 1 892 . 1 1 151 151 SER H H 1 8.39 . . 1 . . . . . . . . 435 1 893 . 1 1 151 151 SER HA H 1 4.48 . . 1 . . . . . . . . 435 1 894 . 1 1 151 151 SER HB2 H 1 3.94 . . 1 . . . . . . . . 435 1 895 . 1 1 151 151 SER HB3 H 1 3.94 . . 1 . . . . . . . . 435 1 896 . 1 1 151 151 SER N N 15 119.4 . . 1 . . . . . . . . 435 1 897 . 1 1 152 152 SER H H 1 7.98 . . 1 . . . . . . . . 435 1 898 . 1 1 152 152 SER HA H 1 4.31 . . 1 . . . . . . . . 435 1 899 . 1 1 152 152 SER HB2 H 1 3.89 . . 1 . . . . . . . . 435 1 900 . 1 1 152 152 SER HB3 H 1 3.89 . . 1 . . . . . . . . 435 1 901 . 1 1 152 152 SER N N 15 122.5 . . 1 . . . . . . . . 435 1 stop_ save_