data_434 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 434 _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. . 434 2 G. Clore . Marius . 434 3 Dominique Marion . . . 434 4 Paul Wingfield . . . 434 5 Angela Gronenborn . M. . 434 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 434 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 144 434 '1H chemical shifts' 782 434 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 'Complete natural source information' 434 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 434 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 434 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 434 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 434 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 434 _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. . 434 1 2 G. Clore . Marius . 434 1 3 Dominique Marion . . . 434 1 4 Paul Wingfield . . . 434 1 5 Angela Gronenborn . M. . 434 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 434 _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 . . . . . . . . . 434 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 434 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_interleukin_1-beta _Entity.Sf_category entity _Entity.Sf_framecode interleukin_1-beta _Entity.Entry_ID 434 _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 ; APVRSLNCTLRDSQQKSLVM SGPYELKALHLQGQDMEQQV VFSMSFVQGEESNDKIPVAL GLKEKNLYLSCVLKDDKPTL QLESVDPKNYPKKKMEKRFV FNKIEINNKLEFESAQFPNW YISTSQAENMPVFLGGTKGG QDITDFTMQFVSS ; _Entity.Polymer_seq_one_letter_code ; APVRSLNCTLRDSQQKSLVM SGPYELKALHLQGQDMEQQV VFSMSFVQGEESNDKIPVAL GLKEKNLYLSCVLKDDKPTL QLESVDPKNYPKKKMEKRFV FNKIEINNKLEFESAQFPNW YISTSQAENMPVFLGGTKGG QDITDFTMQFVSS ; _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 153 _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 1.80e-107 . . . . 434 1 2 no BMRB 1062 . "interleukin 1-beta" . . . . . 99.35 152 100.00 100.00 1.38e-106 . . . . 434 1 3 no BMRB 2718 . "interleukin 1-beta" . . . . . 100.00 153 100.00 100.00 1.80e-107 . . . . 434 1 4 no BMRB 2719 . "interleukin 1-beta" . . . . . 100.00 153 100.00 100.00 1.80e-107 . . . . 434 1 5 no BMRB 435 . "interleukin 1-beta" . . . . . 99.35 152 100.00 100.00 1.38e-106 . . . . 434 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 99.35 99.35 2.15e-106 . . . . 434 1 7 no PDB 1I1B . "Crystal Structure Of Recombinant Human Interleukin-1beta At 2.0 Angstroms Resolution" . . . . . 100.00 153 100.00 100.00 1.80e-107 . . . . 434 1 8 no PDB 1IOB . "Interleukin-1 Beta From Joint X-ray And Nmr Refinement" . . . . . 100.00 153 100.00 100.00 1.80e-107 . . . . 434 1 9 no PDB 1ITB . "Type-1 Interleukin-1 Receptor Complexed With Interleukin-1 Beta" . . . . . 100.00 153 100.00 100.00 1.80e-107 . . . . 434 1 10 no PDB 1L2H . "Crystal Structure Of Interleukin 1-Beta F42wW120F MUTANT" . . . . . 100.00 153 98.69 100.00 4.43e-105 . . . . 434 1 11 no PDB 1S0L . "Interleukin 1 Beta Mutant F42w" . . . . . 100.00 153 99.35 100.00 1.03e-106 . . . . 434 1 12 no PDB 1T4Q . "Interleukin 1 Beta F101w" . . . . . 100.00 153 99.35 100.00 1.03e-106 . . . . 434 1 13 no PDB 1TOO . "Interleukin 1b Mutant F146w" . . . . . 100.00 153 99.35 100.00 1.03e-106 . . . . 434 1 14 no PDB 1TP0 . "Triple Mutation In Interleukin 1 Beta Cavity:replacement Of Phenylalanines With Tryptophan" . . . . . 100.00 153 98.04 100.00 1.06e-105 . . . . 434 1 15 no PDB 1TWE . "Interleukin 1 Beta Mutant F101y" . . . . . 100.00 153 99.35 100.00 4.60e-107 . . . . 434 1 16 no PDB 1TWM . "Interleukin-1 Beta Mutant F146y" . . . . . 100.00 153 99.35 100.00 4.60e-107 . . . . 434 1 17 no PDB 21BI . "Interleukin-1 Beta (Il-1 Beta) (Mutant With Cys 71 Replaced By Ala) (C71a)" . . . . . 100.00 153 99.35 99.35 1.74e-106 . . . . 434 1 18 no PDB 2I1B . "Crystallographic Refinement Of Interleukin-1 Beta At 2.0 Angstroms Resolution" . . . . . 100.00 153 100.00 100.00 1.80e-107 . . . . 434 1 19 no PDB 2KH2 . "Solution Structure Of A Scfv-Il-1b Complex" . . . . . 100.00 153 100.00 100.00 1.80e-107 . . . . 434 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 1.80e-107 . . . . 434 1 21 no PDB 31BI . "Interleukin-1 Beta (Il-1 Beta) (Mutant With Cys 71 Replaced By Ser) (C71s)" . . . . . 100.00 153 99.35 99.35 3.08e-106 . . . . 434 1 22 no PDB 3O4O . "Crystal Structure Of An Interleukin-1 Receptor Complex" . . . . . 100.00 158 100.00 100.00 2.59e-107 . . . . 434 1 23 no PDB 41BI . "Interleukin-1 Beta (Il-1 Beta) (Mutant With Cys 8 Replaced By Ala (C8a)" . . . . . 100.00 153 99.35 99.35 1.74e-106 . . . . 434 1 24 no PDB 4DEP . "Structure Of The Il-1b Signaling Complex" . . . . . 100.00 158 100.00 100.00 2.59e-107 . . . . 434 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 1.93e-107 . . . . 434 1 26 no PDB 4G6M . "Crystal Strucure Of Human Il-1beta In Complex With Therapeutic Antibody Binding Fragment Of Gevokizumab" . . . . . 98.04 150 100.00 100.00 2.32e-105 . . . . 434 1 27 no PDB 4I1B . "Functional Implications Of Interleukin-1beta Based On The Three-Dimensional Structure" . . . . . 100.00 153 100.00 100.00 1.80e-107 . . . . 434 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 1.80e-107 . . . . 434 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 1.80e-107 . . . . 434 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 1.80e-107 . . . . 434 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 1.80e-107 . . . . 434 1 32 no PDB 9ILB . "Human Interleukin-1 Beta" . . . . . 100.00 153 100.00 100.00 1.80e-107 . . . . 434 1 33 no DBJ BAG70308 . "interleukin-1 beta precursor [Homo sapiens]" . . . . . 100.00 153 100.00 100.00 1.80e-107 . . . . 434 1 34 no DBJ BAG73311 . "interleukin 1 beta [synthetic construct]" . . . . . 100.00 269 100.00 100.00 2.54e-105 . . . . 434 1 35 no EMBL CAA26372 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 269 100.00 100.00 2.54e-105 . . . . 434 1 36 no EMBL CAA28185 . "prointerleukin-1-beta [Homo sapiens]" . . . . . 100.00 269 100.00 100.00 2.54e-105 . . . . 434 1 37 no EMBL CAA39567 . "prointerleukin-1 beta [Homo sapiens]" . . . . . 100.00 269 100.00 100.00 2.54e-105 . . . . 434 1 38 no EMBL CAG28607 . "IL1B [Homo sapiens]" . . . . . 100.00 269 100.00 100.00 3.09e-105 . . . . 434 1 39 no GB AAA36106 . "interleukin 1 precursor polypeptide [Homo sapiens]" . . . . . 100.00 269 100.00 100.00 3.09e-105 . . . . 434 1 40 no GB AAA59135 . "interleukin 1-beta [Homo sapiens]" . . . . . 100.00 269 100.00 100.00 2.54e-105 . . . . 434 1 41 no GB AAA59136 . "interleukin 1 precursor [Homo sapiens]" . . . . . 100.00 269 98.69 98.69 3.04e-103 . . . . 434 1 42 no GB AAA72561 . "interleukin 1-beta [synthetic construct]" . . . . . 100.00 154 99.35 99.35 1.76e-106 . . . . 434 1 43 no GB AAA72849 . "growth hormone:interleukin 1-beta fusion protein [synthetic construct]" . . . . . 100.00 179 100.00 100.00 3.65e-107 . . . . 434 1 44 no PRF 1107273B . "interleukin 1beta" . . . . . 100.00 269 100.00 100.00 2.54e-105 . . . . 434 1 45 no REF NP_000567 . "interleukin-1 beta proprotein [Homo sapiens]" . . . . . 100.00 269 100.00 100.00 2.54e-105 . . . . 434 1 46 no REF XP_001147075 . "PREDICTED: interleukin-1 beta [Pan troglodytes]" . . . . . 100.00 269 100.00 100.00 2.33e-105 . . . . 434 1 47 no REF XP_002811835 . "PREDICTED: interleukin-1 beta [Pongo abelii]" . . . . . 100.00 268 99.35 100.00 7.39e-105 . . . . 434 1 48 no REF XP_003277734 . "PREDICTED: interleukin-1 beta isoform X3 [Nomascus leucogenys]" . . . . . 100.00 269 99.35 100.00 8.61e-105 . . . . 434 1 49 no REF XP_003804551 . "PREDICTED: interleukin-1 beta [Pan paniscus]" . . . . . 100.00 269 100.00 100.00 2.33e-105 . . . . 434 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 2.54e-105 . . . . 434 1 51 no TPE CAD29872 . "TPA: pro-interleukin-1-beta [Homo sapiens]" . . . . . 100.00 269 100.00 100.00 2.54e-105 . . . . 434 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'interleukin 1-beta' common 434 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 . ALA . 434 1 2 . PRO . 434 1 3 . VAL . 434 1 4 . ARG . 434 1 5 . SER . 434 1 6 . LEU . 434 1 7 . ASN . 434 1 8 . CYS . 434 1 9 . THR . 434 1 10 . LEU . 434 1 11 . ARG . 434 1 12 . ASP . 434 1 13 . SER . 434 1 14 . GLN . 434 1 15 . GLN . 434 1 16 . LYS . 434 1 17 . SER . 434 1 18 . LEU . 434 1 19 . VAL . 434 1 20 . MET . 434 1 21 . SER . 434 1 22 . GLY . 434 1 23 . PRO . 434 1 24 . TYR . 434 1 25 . GLU . 434 1 26 . LEU . 434 1 27 . LYS . 434 1 28 . ALA . 434 1 29 . LEU . 434 1 30 . HIS . 434 1 31 . LEU . 434 1 32 . GLN . 434 1 33 . GLY . 434 1 34 . GLN . 434 1 35 . ASP . 434 1 36 . MET . 434 1 37 . GLU . 434 1 38 . GLN . 434 1 39 . GLN . 434 1 40 . VAL . 434 1 41 . VAL . 434 1 42 . PHE . 434 1 43 . SER . 434 1 44 . MET . 434 1 45 . SER . 434 1 46 . PHE . 434 1 47 . VAL . 434 1 48 . GLN . 434 1 49 . GLY . 434 1 50 . GLU . 434 1 51 . GLU . 434 1 52 . SER . 434 1 53 . ASN . 434 1 54 . ASP . 434 1 55 . LYS . 434 1 56 . ILE . 434 1 57 . PRO . 434 1 58 . VAL . 434 1 59 . ALA . 434 1 60 . LEU . 434 1 61 . GLY . 434 1 62 . LEU . 434 1 63 . LYS . 434 1 64 . GLU . 434 1 65 . LYS . 434 1 66 . ASN . 434 1 67 . LEU . 434 1 68 . TYR . 434 1 69 . LEU . 434 1 70 . SER . 434 1 71 . CYS . 434 1 72 . VAL . 434 1 73 . LEU . 434 1 74 . LYS . 434 1 75 . ASP . 434 1 76 . ASP . 434 1 77 . LYS . 434 1 78 . PRO . 434 1 79 . THR . 434 1 80 . LEU . 434 1 81 . GLN . 434 1 82 . LEU . 434 1 83 . GLU . 434 1 84 . SER . 434 1 85 . VAL . 434 1 86 . ASP . 434 1 87 . PRO . 434 1 88 . LYS . 434 1 89 . ASN . 434 1 90 . TYR . 434 1 91 . PRO . 434 1 92 . LYS . 434 1 93 . LYS . 434 1 94 . LYS . 434 1 95 . MET . 434 1 96 . GLU . 434 1 97 . LYS . 434 1 98 . ARG . 434 1 99 . PHE . 434 1 100 . VAL . 434 1 101 . PHE . 434 1 102 . ASN . 434 1 103 . LYS . 434 1 104 . ILE . 434 1 105 . GLU . 434 1 106 . ILE . 434 1 107 . ASN . 434 1 108 . ASN . 434 1 109 . LYS . 434 1 110 . LEU . 434 1 111 . GLU . 434 1 112 . PHE . 434 1 113 . GLU . 434 1 114 . SER . 434 1 115 . ALA . 434 1 116 . GLN . 434 1 117 . PHE . 434 1 118 . PRO . 434 1 119 . ASN . 434 1 120 . TRP . 434 1 121 . TYR . 434 1 122 . ILE . 434 1 123 . SER . 434 1 124 . THR . 434 1 125 . SER . 434 1 126 . GLN . 434 1 127 . ALA . 434 1 128 . GLU . 434 1 129 . ASN . 434 1 130 . MET . 434 1 131 . PRO . 434 1 132 . VAL . 434 1 133 . PHE . 434 1 134 . LEU . 434 1 135 . GLY . 434 1 136 . GLY . 434 1 137 . THR . 434 1 138 . LYS . 434 1 139 . GLY . 434 1 140 . GLY . 434 1 141 . GLN . 434 1 142 . ASP . 434 1 143 . ILE . 434 1 144 . THR . 434 1 145 . ASP . 434 1 146 . PHE . 434 1 147 . THR . 434 1 148 . MET . 434 1 149 . GLN . 434 1 150 . PHE . 434 1 151 . VAL . 434 1 152 . SER . 434 1 153 . SER . 434 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 1 434 1 . PRO 2 2 434 1 . VAL 3 3 434 1 . ARG 4 4 434 1 . SER 5 5 434 1 . LEU 6 6 434 1 . ASN 7 7 434 1 . CYS 8 8 434 1 . THR 9 9 434 1 . LEU 10 10 434 1 . ARG 11 11 434 1 . ASP 12 12 434 1 . SER 13 13 434 1 . GLN 14 14 434 1 . GLN 15 15 434 1 . LYS 16 16 434 1 . SER 17 17 434 1 . LEU 18 18 434 1 . VAL 19 19 434 1 . MET 20 20 434 1 . SER 21 21 434 1 . GLY 22 22 434 1 . PRO 23 23 434 1 . TYR 24 24 434 1 . GLU 25 25 434 1 . LEU 26 26 434 1 . LYS 27 27 434 1 . ALA 28 28 434 1 . LEU 29 29 434 1 . HIS 30 30 434 1 . LEU 31 31 434 1 . GLN 32 32 434 1 . GLY 33 33 434 1 . GLN 34 34 434 1 . ASP 35 35 434 1 . MET 36 36 434 1 . GLU 37 37 434 1 . GLN 38 38 434 1 . GLN 39 39 434 1 . VAL 40 40 434 1 . VAL 41 41 434 1 . PHE 42 42 434 1 . SER 43 43 434 1 . MET 44 44 434 1 . SER 45 45 434 1 . PHE 46 46 434 1 . VAL 47 47 434 1 . GLN 48 48 434 1 . GLY 49 49 434 1 . GLU 50 50 434 1 . GLU 51 51 434 1 . SER 52 52 434 1 . ASN 53 53 434 1 . ASP 54 54 434 1 . LYS 55 55 434 1 . ILE 56 56 434 1 . PRO 57 57 434 1 . VAL 58 58 434 1 . ALA 59 59 434 1 . LEU 60 60 434 1 . GLY 61 61 434 1 . LEU 62 62 434 1 . LYS 63 63 434 1 . GLU 64 64 434 1 . LYS 65 65 434 1 . ASN 66 66 434 1 . LEU 67 67 434 1 . TYR 68 68 434 1 . LEU 69 69 434 1 . SER 70 70 434 1 . CYS 71 71 434 1 . VAL 72 72 434 1 . LEU 73 73 434 1 . LYS 74 74 434 1 . ASP 75 75 434 1 . ASP 76 76 434 1 . LYS 77 77 434 1 . PRO 78 78 434 1 . THR 79 79 434 1 . LEU 80 80 434 1 . GLN 81 81 434 1 . LEU 82 82 434 1 . GLU 83 83 434 1 . SER 84 84 434 1 . VAL 85 85 434 1 . ASP 86 86 434 1 . PRO 87 87 434 1 . LYS 88 88 434 1 . ASN 89 89 434 1 . TYR 90 90 434 1 . PRO 91 91 434 1 . LYS 92 92 434 1 . LYS 93 93 434 1 . LYS 94 94 434 1 . MET 95 95 434 1 . GLU 96 96 434 1 . LYS 97 97 434 1 . ARG 98 98 434 1 . PHE 99 99 434 1 . VAL 100 100 434 1 . PHE 101 101 434 1 . ASN 102 102 434 1 . LYS 103 103 434 1 . ILE 104 104 434 1 . GLU 105 105 434 1 . ILE 106 106 434 1 . ASN 107 107 434 1 . ASN 108 108 434 1 . LYS 109 109 434 1 . LEU 110 110 434 1 . GLU 111 111 434 1 . PHE 112 112 434 1 . GLU 113 113 434 1 . SER 114 114 434 1 . ALA 115 115 434 1 . GLN 116 116 434 1 . PHE 117 117 434 1 . PRO 118 118 434 1 . ASN 119 119 434 1 . TRP 120 120 434 1 . TYR 121 121 434 1 . ILE 122 122 434 1 . SER 123 123 434 1 . THR 124 124 434 1 . SER 125 125 434 1 . GLN 126 126 434 1 . ALA 127 127 434 1 . GLU 128 128 434 1 . ASN 129 129 434 1 . MET 130 130 434 1 . PRO 131 131 434 1 . VAL 132 132 434 1 . PHE 133 133 434 1 . LEU 134 134 434 1 . GLY 135 135 434 1 . GLY 136 136 434 1 . THR 137 137 434 1 . LYS 138 138 434 1 . GLY 139 139 434 1 . GLY 140 140 434 1 . GLN 141 141 434 1 . ASP 142 142 434 1 . ILE 143 143 434 1 . THR 144 144 434 1 . ASP 145 145 434 1 . PHE 146 146 434 1 . THR 147 147 434 1 . MET 148 148 434 1 . GLN 149 149 434 1 . PHE 150 150 434 1 . VAL 151 151 434 1 . SER 152 152 434 1 . SER 153 153 434 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 434 _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 . . . . . . . . . . . . . . . . . . . . 434 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 434 _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 . . . . . . . . . . . . . . . . . . . . . . 434 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 434 _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 434 _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 434 1 temperature 309 . K 434 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 434 _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 434 _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' . . 434 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 434 _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 . . . . . . . . . . . . . . . . 434 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 434 _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 434 1 N . 'liquid NH3' . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 434 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 434 _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 . 434 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 4.17 . . 1 . . . . . . . . 434 1 2 . 1 1 1 1 ALA HB1 H 1 1.53 . . 1 . . . . . . . . 434 1 3 . 1 1 1 1 ALA HB2 H 1 1.53 . . 1 . . . . . . . . 434 1 4 . 1 1 1 1 ALA HB3 H 1 1.53 . . 1 . . . . . . . . 434 1 5 . 1 1 2 2 PRO HA H 1 4.5 . . 1 . . . . . . . . 434 1 6 . 1 1 2 2 PRO HD2 H 1 3.68 . . 2 . . . . . . . . 434 1 7 . 1 1 2 2 PRO HD3 H 1 3.59 . . 2 . . . . . . . . 434 1 8 . 1 1 3 3 VAL H H 1 8 . . 1 . . . . . . . . 434 1 9 . 1 1 3 3 VAL HA H 1 4.15 . . 1 . . . . . . . . 434 1 10 . 1 1 3 3 VAL HB H 1 1.93 . . 1 . . . . . . . . 434 1 11 . 1 1 3 3 VAL HG11 H 1 .83 . . 1 . . . . . . . . 434 1 12 . 1 1 3 3 VAL HG12 H 1 .83 . . 1 . . . . . . . . 434 1 13 . 1 1 3 3 VAL HG13 H 1 .83 . . 1 . . . . . . . . 434 1 14 . 1 1 3 3 VAL HG21 H 1 .83 . . 1 . . . . . . . . 434 1 15 . 1 1 3 3 VAL HG22 H 1 .83 . . 1 . . . . . . . . 434 1 16 . 1 1 3 3 VAL HG23 H 1 .83 . . 1 . . . . . . . . 434 1 17 . 1 1 3 3 VAL N N 15 119.1 . . 1 . . . . . . . . 434 1 18 . 1 1 4 4 ARG H H 1 8.86 . . 1 . . . . . . . . 434 1 19 . 1 1 4 4 ARG HA H 1 4.46 . . 1 . . . . . . . . 434 1 20 . 1 1 4 4 ARG N N 15 127 . . 1 . . . . . . . . 434 1 21 . 1 1 5 5 SER H H 1 8.27 . . 1 . . . . . . . . 434 1 22 . 1 1 5 5 SER HA H 1 5.67 . . 1 . . . . . . . . 434 1 23 . 1 1 5 5 SER HB2 H 1 3.55 . . 2 . . . . . . . . 434 1 24 . 1 1 5 5 SER HB3 H 1 3.68 . . 2 . . . . . . . . 434 1 25 . 1 1 5 5 SER N N 15 118.3 . . 1 . . . . . . . . 434 1 26 . 1 1 6 6 LEU H H 1 9.03 . . 1 . . . . . . . . 434 1 27 . 1 1 6 6 LEU HA H 1 4.78 . . 1 . . . . . . . . 434 1 28 . 1 1 6 6 LEU HB2 H 1 1.81 . . 2 . . . . . . . . 434 1 29 . 1 1 6 6 LEU HB3 H 1 1.82 . . 2 . . . . . . . . 434 1 30 . 1 1 6 6 LEU HG H 1 1.84 . . 1 . . . . . . . . 434 1 31 . 1 1 6 6 LEU HD11 H 1 .98 . . 2 . . . . . . . . 434 1 32 . 1 1 6 6 LEU HD12 H 1 .98 . . 2 . . . . . . . . 434 1 33 . 1 1 6 6 LEU HD13 H 1 .98 . . 2 . . . . . . . . 434 1 34 . 1 1 6 6 LEU HD21 H 1 1.02 . . 2 . . . . . . . . 434 1 35 . 1 1 6 6 LEU HD22 H 1 1.02 . . 2 . . . . . . . . 434 1 36 . 1 1 6 6 LEU HD23 H 1 1.02 . . 2 . . . . . . . . 434 1 37 . 1 1 6 6 LEU N N 15 122.4 . . 1 . . . . . . . . 434 1 38 . 1 1 7 7 ASN H H 1 8.78 . . 1 . . . . . . . . 434 1 39 . 1 1 7 7 ASN HA H 1 6.25 . . 1 . . . . . . . . 434 1 40 . 1 1 7 7 ASN HB2 H 1 2.32 . . 2 . . . . . . . . 434 1 41 . 1 1 7 7 ASN HB3 H 1 2.86 . . 2 . . . . . . . . 434 1 42 . 1 1 7 7 ASN N N 15 120.9 . . 1 . . . . . . . . 434 1 43 . 1 1 8 8 CYS H H 1 9.59 . . 1 . . . . . . . . 434 1 44 . 1 1 8 8 CYS HA H 1 5.76 . . 1 . . . . . . . . 434 1 45 . 1 1 8 8 CYS HB2 H 1 2.86 . . 2 . . . . . . . . 434 1 46 . 1 1 8 8 CYS HB3 H 1 2.96 . . 2 . . . . . . . . 434 1 47 . 1 1 8 8 CYS N N 15 117.8 . . 1 . . . . . . . . 434 1 48 . 1 1 9 9 THR H H 1 8.93 . . 1 . . . . . . . . 434 1 49 . 1 1 9 9 THR HA H 1 5.06 . . 1 . . . . . . . . 434 1 50 . 1 1 9 9 THR HB H 1 4.39 . . 1 . . . . . . . . 434 1 51 . 1 1 9 9 THR HG21 H 1 1.18 . . 1 . . . . . . . . 434 1 52 . 1 1 9 9 THR HG22 H 1 1.18 . . 1 . . . . . . . . 434 1 53 . 1 1 9 9 THR HG23 H 1 1.18 . . 1 . . . . . . . . 434 1 54 . 1 1 9 9 THR N N 15 109.5 . . 1 . . . . . . . . 434 1 55 . 1 1 10 10 LEU H H 1 9.41 . . 1 . . . . . . . . 434 1 56 . 1 1 10 10 LEU HA H 1 5.45 . . 1 . . . . . . . . 434 1 57 . 1 1 10 10 LEU HB2 H 1 1.07 . . 2 . . . . . . . . 434 1 58 . 1 1 10 10 LEU HB3 H 1 1.53 . . 2 . . . . . . . . 434 1 59 . 1 1 10 10 LEU HG H 1 1.18 . . 1 . . . . . . . . 434 1 60 . 1 1 10 10 LEU HD11 H 1 .4 . . 2 . . . . . . . . 434 1 61 . 1 1 10 10 LEU HD12 H 1 .4 . . 2 . . . . . . . . 434 1 62 . 1 1 10 10 LEU HD13 H 1 .4 . . 2 . . . . . . . . 434 1 63 . 1 1 10 10 LEU HD21 H 1 .58 . . 2 . . . . . . . . 434 1 64 . 1 1 10 10 LEU HD22 H 1 .58 . . 2 . . . . . . . . 434 1 65 . 1 1 10 10 LEU HD23 H 1 .58 . . 2 . . . . . . . . 434 1 66 . 1 1 10 10 LEU N N 15 120.7 . . 1 . . . . . . . . 434 1 67 . 1 1 11 11 ARG H H 1 8.62 . . 1 . . . . . . . . 434 1 68 . 1 1 11 11 ARG HA H 1 5.28 . . 1 . . . . . . . . 434 1 69 . 1 1 11 11 ARG HB2 H 1 1.6 . . 2 . . . . . . . . 434 1 70 . 1 1 11 11 ARG HB3 H 1 1.66 . . 2 . . . . . . . . 434 1 71 . 1 1 11 11 ARG N N 15 119.6 . . 1 . . . . . . . . 434 1 72 . 1 1 12 12 ASP H H 1 8.71 . . 1 . . . . . . . . 434 1 73 . 1 1 12 12 ASP HA H 1 4.65 . . 1 . . . . . . . . 434 1 74 . 1 1 12 12 ASP N N 15 121.2 . . 1 . . . . . . . . 434 1 75 . 1 1 13 13 SER H H 1 7.42 . . 1 . . . . . . . . 434 1 76 . 1 1 13 13 SER HA H 1 3.99 . . 1 . . . . . . . . 434 1 77 . 1 1 13 13 SER HB2 H 1 3.56 . . 2 . . . . . . . . 434 1 78 . 1 1 13 13 SER HB3 H 1 3.95 . . 2 . . . . . . . . 434 1 79 . 1 1 13 13 SER N N 15 114.4 . . 1 . . . . . . . . 434 1 80 . 1 1 14 14 GLN H H 1 8.02 . . 1 . . . . . . . . 434 1 81 . 1 1 14 14 GLN HA H 1 4.55 . . 1 . . . . . . . . 434 1 82 . 1 1 14 14 GLN HB2 H 1 1.59 . . 2 . . . . . . . . 434 1 83 . 1 1 14 14 GLN HB3 H 1 2.56 . . 2 . . . . . . . . 434 1 84 . 1 1 14 14 GLN N N 15 120.4 . . 1 . . . . . . . . 434 1 85 . 1 1 15 15 GLN H H 1 8.44 . . 1 . . . . . . . . 434 1 86 . 1 1 15 15 GLN HA H 1 3.71 . . 1 . . . . . . . . 434 1 87 . 1 1 15 15 GLN HB2 H 1 2.62 . . 1 . . . . . . . . 434 1 88 . 1 1 15 15 GLN HB3 H 1 2.62 . . 1 . . . . . . . . 434 1 89 . 1 1 15 15 GLN N N 15 111.6 . . 1 . . . . . . . . 434 1 90 . 1 1 16 16 LYS H H 1 8.48 . . 1 . . . . . . . . 434 1 91 . 1 1 16 16 LYS HA H 1 3.55 . . 1 . . . . . . . . 434 1 92 . 1 1 16 16 LYS HB2 H 1 1.97 . . 1 . . . . . . . . 434 1 93 . 1 1 16 16 LYS HB3 H 1 1.97 . . 1 . . . . . . . . 434 1 94 . 1 1 16 16 LYS N N 15 120.2 . . 1 . . . . . . . . 434 1 95 . 1 1 17 17 SER H H 1 8.27 . . 1 . . . . . . . . 434 1 96 . 1 1 17 17 SER HA H 1 4.91 . . 1 . . . . . . . . 434 1 97 . 1 1 17 17 SER HB2 H 1 3.76 . . 2 . . . . . . . . 434 1 98 . 1 1 17 17 SER HB3 H 1 4.03 . . 2 . . . . . . . . 434 1 99 . 1 1 17 17 SER N N 15 119.5 . . 1 . . . . . . . . 434 1 100 . 1 1 18 18 LEU H H 1 8.82 . . 1 . . . . . . . . 434 1 101 . 1 1 18 18 LEU HA H 1 5.38 . . 1 . . . . . . . . 434 1 102 . 1 1 18 18 LEU HB2 H 1 1.4 . . 2 . . . . . . . . 434 1 103 . 1 1 18 18 LEU HB3 H 1 2.15 . . 2 . . . . . . . . 434 1 104 . 1 1 18 18 LEU N N 15 122.4 . . 1 . . . . . . . . 434 1 105 . 1 1 19 19 VAL H H 1 8.8 . . 1 . . . . . . . . 434 1 106 . 1 1 19 19 VAL HA H 1 4.68 . . 1 . . . . . . . . 434 1 107 . 1 1 19 19 VAL HB H 1 2.03 . . 1 . . . . . . . . 434 1 108 . 1 1 19 19 VAL HG11 H 1 .66 . . 2 . . . . . . . . 434 1 109 . 1 1 19 19 VAL HG12 H 1 .66 . . 2 . . . . . . . . 434 1 110 . 1 1 19 19 VAL HG13 H 1 .66 . . 2 . . . . . . . . 434 1 111 . 1 1 19 19 VAL HG21 H 1 .78 . . 2 . . . . . . . . 434 1 112 . 1 1 19 19 VAL HG22 H 1 .78 . . 2 . . . . . . . . 434 1 113 . 1 1 19 19 VAL HG23 H 1 .78 . . 2 . . . . . . . . 434 1 114 . 1 1 19 19 VAL N N 15 115.5 . . 1 . . . . . . . . 434 1 115 . 1 1 20 20 MET H H 1 8.68 . . 1 . . . . . . . . 434 1 116 . 1 1 20 20 MET HA H 1 4.9 . . 1 . . . . . . . . 434 1 117 . 1 1 20 20 MET HB2 H 1 1.7 . . 2 . . . . . . . . 434 1 118 . 1 1 20 20 MET HB3 H 1 2.19 . . 2 . . . . . . . . 434 1 119 . 1 1 20 20 MET HG2 H 1 2.36 . . 2 . . . . . . . . 434 1 120 . 1 1 20 20 MET HG3 H 1 2.5 . . 2 . . . . . . . . 434 1 121 . 1 1 20 20 MET N N 15 120.9 . . 1 . . . . . . . . 434 1 122 . 1 1 21 21 SER H H 1 8.59 . . 1 . . . . . . . . 434 1 123 . 1 1 21 21 SER HA H 1 4.52 . . 1 . . . . . . . . 434 1 124 . 1 1 21 21 SER HB2 H 1 3.52 . . 2 . . . . . . . . 434 1 125 . 1 1 21 21 SER HB3 H 1 3.6 . . 2 . . . . . . . . 434 1 126 . 1 1 21 21 SER N N 15 120 . . 1 . . . . . . . . 434 1 127 . 1 1 22 22 GLY H H 1 8.11 . . 1 . . . . . . . . 434 1 128 . 1 1 22 22 GLY HA2 H 1 3.97 . . 2 . . . . . . . . 434 1 129 . 1 1 22 22 GLY HA3 H 1 4.12 . . 2 . . . . . . . . 434 1 130 . 1 1 22 22 GLY N N 15 111.7 . . 1 . . . . . . . . 434 1 131 . 1 1 23 23 PRO HA H 1 4.02 . . 1 . . . . . . . . 434 1 132 . 1 1 23 23 PRO HD2 H 1 3.44 . . 2 . . . . . . . . 434 1 133 . 1 1 23 23 PRO HD3 H 1 3.59 . . 2 . . . . . . . . 434 1 134 . 1 1 24 24 TYR H H 1 8 . . 1 . . . . . . . . 434 1 135 . 1 1 24 24 TYR HA H 1 4.78 . . 1 . . . . . . . . 434 1 136 . 1 1 24 24 TYR HB2 H 1 2.76 . . 2 . . . . . . . . 434 1 137 . 1 1 24 24 TYR HB3 H 1 3.54 . . 2 . . . . . . . . 434 1 138 . 1 1 24 24 TYR HD1 H 1 7.09 . . 1 . . . . . . . . 434 1 139 . 1 1 24 24 TYR HD2 H 1 7.09 . . 1 . . . . . . . . 434 1 140 . 1 1 24 24 TYR HE1 H 1 6.78 . . 1 . . . . . . . . 434 1 141 . 1 1 24 24 TYR HE2 H 1 6.78 . . 1 . . . . . . . . 434 1 142 . 1 1 24 24 TYR N N 15 110.6 . . 1 . . . . . . . . 434 1 143 . 1 1 25 25 GLU H H 1 7.2 . . 1 . . . . . . . . 434 1 144 . 1 1 25 25 GLU HA H 1 4.67 . . 1 . . . . . . . . 434 1 145 . 1 1 25 25 GLU HB2 H 1 1.94 . . 2 . . . . . . . . 434 1 146 . 1 1 25 25 GLU HB3 H 1 2.04 . . 2 . . . . . . . . 434 1 147 . 1 1 25 25 GLU HG2 H 1 2.24 . . 2 . . . . . . . . 434 1 148 . 1 1 25 25 GLU HG3 H 1 2.3 . . 2 . . . . . . . . 434 1 149 . 1 1 25 25 GLU N N 15 119.3 . . 1 . . . . . . . . 434 1 150 . 1 1 26 26 LEU H H 1 8.57 . . 1 . . . . . . . . 434 1 151 . 1 1 26 26 LEU HA H 1 5.24 . . 1 . . . . . . . . 434 1 152 . 1 1 26 26 LEU HB2 H 1 1.63 . . 1 . . . . . . . . 434 1 153 . 1 1 26 26 LEU HB3 H 1 1.63 . . 1 . . . . . . . . 434 1 154 . 1 1 26 26 LEU N N 15 123 . . 1 . . . . . . . . 434 1 155 . 1 1 27 27 LYS H H 1 9.18 . . 1 . . . . . . . . 434 1 156 . 1 1 27 27 LYS HA H 1 5.14 . . 1 . . . . . . . . 434 1 157 . 1 1 27 27 LYS HB2 H 1 1.43 . . 2 . . . . . . . . 434 1 158 . 1 1 27 27 LYS HB3 H 1 1.48 . . 2 . . . . . . . . 434 1 159 . 1 1 27 27 LYS N N 15 119.8 . . 1 . . . . . . . . 434 1 160 . 1 1 28 28 ALA H H 1 7.62 . . 1 . . . . . . . . 434 1 161 . 1 1 28 28 ALA HA H 1 6.16 . . 1 . . . . . . . . 434 1 162 . 1 1 28 28 ALA HB1 H 1 1.31 . . 1 . . . . . . . . 434 1 163 . 1 1 28 28 ALA HB2 H 1 1.31 . . 1 . . . . . . . . 434 1 164 . 1 1 28 28 ALA HB3 H 1 1.31 . . 1 . . . . . . . . 434 1 165 . 1 1 28 28 ALA N N 15 118.9 . . 1 . . . . . . . . 434 1 166 . 1 1 29 29 LEU H H 1 9.42 . . 1 . . . . . . . . 434 1 167 . 1 1 29 29 LEU HA H 1 4.87 . . 1 . . . . . . . . 434 1 168 . 1 1 29 29 LEU HB2 H 1 1.58 . . 2 . . . . . . . . 434 1 169 . 1 1 29 29 LEU HB3 H 1 1.95 . . 2 . . . . . . . . 434 1 170 . 1 1 29 29 LEU N N 15 125.6 . . 1 . . . . . . . . 434 1 171 . 1 1 30 30 HIS H H 1 10.19 . . 1 . . . . . . . . 434 1 172 . 1 1 30 30 HIS HA H 1 4.69 . . 1 . . . . . . . . 434 1 173 . 1 1 30 30 HIS HB2 H 1 3.16 . . 2 . . . . . . . . 434 1 174 . 1 1 30 30 HIS HB3 H 1 3.23 . . 2 . . . . . . . . 434 1 175 . 1 1 30 30 HIS N N 15 122 . . 1 . . . . . . . . 434 1 176 . 1 1 31 31 LEU H H 1 8.4 . . 1 . . . . . . . . 434 1 177 . 1 1 31 31 LEU HA H 1 4.67 . . 1 . . . . . . . . 434 1 178 . 1 1 31 31 LEU HB2 H 1 1.3 . . 2 . . . . . . . . 434 1 179 . 1 1 31 31 LEU HB3 H 1 1.7 . . 2 . . . . . . . . 434 1 180 . 1 1 31 31 LEU N N 15 126 . . 1 . . . . . . . . 434 1 181 . 1 1 32 32 GLN H H 1 8.88 . . 1 . . . . . . . . 434 1 182 . 1 1 32 32 GLN HA H 1 4.53 . . 1 . . . . . . . . 434 1 183 . 1 1 32 32 GLN HB2 H 1 1.98 . . 2 . . . . . . . . 434 1 184 . 1 1 32 32 GLN HB3 H 1 2.19 . . 2 . . . . . . . . 434 1 185 . 1 1 32 32 GLN HG2 H 1 2.25 . . 2 . . . . . . . . 434 1 186 . 1 1 32 32 GLN HG3 H 1 2.31 . . 2 . . . . . . . . 434 1 187 . 1 1 32 32 GLN N N 15 120.2 . . 1 . . . . . . . . 434 1 188 . 1 1 33 33 GLY H H 1 8.72 . . 1 . . . . . . . . 434 1 189 . 1 1 33 33 GLY HA2 H 1 3.77 . . 2 . . . . . . . . 434 1 190 . 1 1 33 33 GLY HA3 H 1 3.99 . . 2 . . . . . . . . 434 1 191 . 1 1 33 33 GLY N N 15 109.5 . . 1 . . . . . . . . 434 1 192 . 1 1 34 34 GLN H H 1 8.83 . . 1 . . . . . . . . 434 1 193 . 1 1 34 34 GLN HA H 1 4.27 . . 1 . . . . . . . . 434 1 194 . 1 1 34 34 GLN HB2 H 1 2.1 . . 1 . . . . . . . . 434 1 195 . 1 1 34 34 GLN HB3 H 1 2.1 . . 1 . . . . . . . . 434 1 196 . 1 1 34 34 GLN N N 15 121.7 . . 1 . . . . . . . . 434 1 197 . 1 1 35 35 ASP H H 1 7.86 . . 1 . . . . . . . . 434 1 198 . 1 1 35 35 ASP HA H 1 4.75 . . 1 . . . . . . . . 434 1 199 . 1 1 35 35 ASP HB2 H 1 2.79 . . 2 . . . . . . . . 434 1 200 . 1 1 35 35 ASP HB3 H 1 2.89 . . 2 . . . . . . . . 434 1 201 . 1 1 35 35 ASP N N 15 119 . . 1 . . . . . . . . 434 1 202 . 1 1 36 36 MET H H 1 7.68 . . 1 . . . . . . . . 434 1 203 . 1 1 36 36 MET HA H 1 4.21 . . 1 . . . . . . . . 434 1 204 . 1 1 36 36 MET HB2 H 1 2.05 . . 1 . . . . . . . . 434 1 205 . 1 1 36 36 MET HB3 H 1 2.05 . . 1 . . . . . . . . 434 1 206 . 1 1 36 36 MET N N 15 118.3 . . 1 . . . . . . . . 434 1 207 . 1 1 37 37 GLU H H 1 8.07 . . 1 . . . . . . . . 434 1 208 . 1 1 37 37 GLU HA H 1 4.22 . . 1 . . . . . . . . 434 1 209 . 1 1 37 37 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 434 1 210 . 1 1 37 37 GLU HB3 H 1 2.1 . . 2 . . . . . . . . 434 1 211 . 1 1 37 37 GLU N N 15 117.6 . . 1 . . . . . . . . 434 1 212 . 1 1 38 38 GLN H H 1 7.94 . . 1 . . . . . . . . 434 1 213 . 1 1 38 38 GLN HA H 1 4.21 . . 1 . . . . . . . . 434 1 214 . 1 1 38 38 GLN HB2 H 1 1.97 . . 2 . . . . . . . . 434 1 215 . 1 1 38 38 GLN HB3 H 1 2.23 . . 2 . . . . . . . . 434 1 216 . 1 1 38 38 GLN N N 15 117 . . 1 . . . . . . . . 434 1 217 . 1 1 39 39 GLN H H 1 7.53 . . 1 . . . . . . . . 434 1 218 . 1 1 39 39 GLN HA H 1 4.42 . . 1 . . . . . . . . 434 1 219 . 1 1 39 39 GLN N N 15 117.3 . . 1 . . . . . . . . 434 1 220 . 1 1 40 40 VAL H H 1 8.3 . . 1 . . . . . . . . 434 1 221 . 1 1 40 40 VAL HA H 1 3.78 . . 1 . . . . . . . . 434 1 222 . 1 1 40 40 VAL HB H 1 1.58 . . 1 . . . . . . . . 434 1 223 . 1 1 40 40 VAL HG11 H 1 .19 . . 2 . . . . . . . . 434 1 224 . 1 1 40 40 VAL HG12 H 1 .19 . . 2 . . . . . . . . 434 1 225 . 1 1 40 40 VAL HG13 H 1 .19 . . 2 . . . . . . . . 434 1 226 . 1 1 40 40 VAL HG21 H 1 .62 . . 2 . . . . . . . . 434 1 227 . 1 1 40 40 VAL HG22 H 1 .62 . . 2 . . . . . . . . 434 1 228 . 1 1 40 40 VAL HG23 H 1 .62 . . 2 . . . . . . . . 434 1 229 . 1 1 40 40 VAL N N 15 122.7 . . 1 . . . . . . . . 434 1 230 . 1 1 41 41 VAL H H 1 7.69 . . 1 . . . . . . . . 434 1 231 . 1 1 41 41 VAL HA H 1 4.24 . . 1 . . . . . . . . 434 1 232 . 1 1 41 41 VAL HB H 1 1.83 . . 1 . . . . . . . . 434 1 233 . 1 1 41 41 VAL HG11 H 1 .85 . . 1 . . . . . . . . 434 1 234 . 1 1 41 41 VAL HG12 H 1 .85 . . 1 . . . . . . . . 434 1 235 . 1 1 41 41 VAL HG13 H 1 .85 . . 1 . . . . . . . . 434 1 236 . 1 1 41 41 VAL HG21 H 1 .85 . . 1 . . . . . . . . 434 1 237 . 1 1 41 41 VAL HG22 H 1 .85 . . 1 . . . . . . . . 434 1 238 . 1 1 41 41 VAL HG23 H 1 .85 . . 1 . . . . . . . . 434 1 239 . 1 1 41 41 VAL N N 15 123.9 . . 1 . . . . . . . . 434 1 240 . 1 1 42 42 PHE H H 1 9.58 . . 1 . . . . . . . . 434 1 241 . 1 1 42 42 PHE HA H 1 5.04 . . 1 . . . . . . . . 434 1 242 . 1 1 42 42 PHE HB2 H 1 2.57 . . 2 . . . . . . . . 434 1 243 . 1 1 42 42 PHE HB3 H 1 3.07 . . 2 . . . . . . . . 434 1 244 . 1 1 42 42 PHE HD1 H 1 6.9 . . 1 . . . . . . . . 434 1 245 . 1 1 42 42 PHE HD2 H 1 6.9 . . 1 . . . . . . . . 434 1 246 . 1 1 42 42 PHE HE1 H 1 7 . . 1 . . . . . . . . 434 1 247 . 1 1 42 42 PHE HE2 H 1 7 . . 1 . . . . . . . . 434 1 248 . 1 1 42 42 PHE HZ H 1 6.62 . . 1 . . . . . . . . 434 1 249 . 1 1 42 42 PHE N N 15 127.3 . . 1 . . . . . . . . 434 1 250 . 1 1 43 43 SER H H 1 9.17 . . 1 . . . . . . . . 434 1 251 . 1 1 43 43 SER HA H 1 5.16 . . 1 . . . . . . . . 434 1 252 . 1 1 43 43 SER HB2 H 1 3.45 . . 2 . . . . . . . . 434 1 253 . 1 1 43 43 SER HB3 H 1 3.61 . . 2 . . . . . . . . 434 1 254 . 1 1 43 43 SER N N 15 115.6 . . 1 . . . . . . . . 434 1 255 . 1 1 44 44 MET H H 1 9.57 . . 1 . . . . . . . . 434 1 256 . 1 1 44 44 MET HA H 1 5.3 . . 1 . . . . . . . . 434 1 257 . 1 1 44 44 MET HB2 H 1 2.23 . . 1 . . . . . . . . 434 1 258 . 1 1 44 44 MET HB3 H 1 2.23 . . 1 . . . . . . . . 434 1 259 . 1 1 44 44 MET N N 15 131.3 . . 1 . . . . . . . . 434 1 260 . 1 1 45 45 SER H H 1 8.88 . . 1 . . . . . . . . 434 1 261 . 1 1 45 45 SER HA H 1 5.36 . . 1 . . . . . . . . 434 1 262 . 1 1 45 45 SER HB2 H 1 3.58 . . 2 . . . . . . . . 434 1 263 . 1 1 45 45 SER HB3 H 1 3.71 . . 2 . . . . . . . . 434 1 264 . 1 1 45 45 SER N N 15 121.1 . . 1 . . . . . . . . 434 1 265 . 1 1 46 46 PHE H H 1 8.46 . . 1 . . . . . . . . 434 1 266 . 1 1 46 46 PHE HA H 1 4.77 . . 1 . . . . . . . . 434 1 267 . 1 1 46 46 PHE HB2 H 1 2.98 . . 2 . . . . . . . . 434 1 268 . 1 1 46 46 PHE HB3 H 1 3.37 . . 2 . . . . . . . . 434 1 269 . 1 1 46 46 PHE HD1 H 1 7.23 . . 1 . . . . . . . . 434 1 270 . 1 1 46 46 PHE HD2 H 1 7.23 . . 1 . . . . . . . . 434 1 271 . 1 1 46 46 PHE HE1 H 1 7.13 . . 1 . . . . . . . . 434 1 272 . 1 1 46 46 PHE HE2 H 1 7.13 . . 1 . . . . . . . . 434 1 273 . 1 1 46 46 PHE N N 15 123.2 . . 1 . . . . . . . . 434 1 274 . 1 1 47 47 VAL H H 1 7.41 . . 1 . . . . . . . . 434 1 275 . 1 1 47 47 VAL HA H 1 4.66 . . 1 . . . . . . . . 434 1 276 . 1 1 47 47 VAL HB H 1 2.51 . . 1 . . . . . . . . 434 1 277 . 1 1 47 47 VAL HG11 H 1 .73 . . 2 . . . . . . . . 434 1 278 . 1 1 47 47 VAL HG12 H 1 .73 . . 2 . . . . . . . . 434 1 279 . 1 1 47 47 VAL HG13 H 1 .73 . . 2 . . . . . . . . 434 1 280 . 1 1 47 47 VAL HG21 H 1 .95 . . 2 . . . . . . . . 434 1 281 . 1 1 47 47 VAL HG22 H 1 .95 . . 2 . . . . . . . . 434 1 282 . 1 1 47 47 VAL HG23 H 1 .95 . . 2 . . . . . . . . 434 1 283 . 1 1 47 47 VAL N N 15 118.5 . . 1 . . . . . . . . 434 1 284 . 1 1 48 48 GLN H H 1 8.56 . . 1 . . . . . . . . 434 1 285 . 1 1 48 48 GLN HA H 1 4.44 . . 1 . . . . . . . . 434 1 286 . 1 1 48 48 GLN HB2 H 1 1.97 . . 2 . . . . . . . . 434 1 287 . 1 1 48 48 GLN HB3 H 1 2.08 . . 2 . . . . . . . . 434 1 288 . 1 1 48 48 GLN N N 15 120.4 . . 1 . . . . . . . . 434 1 289 . 1 1 49 49 GLY H H 1 8.33 . . 1 . . . . . . . . 434 1 290 . 1 1 49 49 GLY HA2 H 1 3.94 . . 2 . . . . . . . . 434 1 291 . 1 1 49 49 GLY HA3 H 1 4.12 . . 2 . . . . . . . . 434 1 292 . 1 1 49 49 GLY N N 15 111.6 . . 1 . . . . . . . . 434 1 293 . 1 1 50 50 GLU H H 1 8.47 . . 1 . . . . . . . . 434 1 294 . 1 1 50 50 GLU HA H 1 4.35 . . 1 . . . . . . . . 434 1 295 . 1 1 50 50 GLU HB2 H 1 1.92 . . 2 . . . . . . . . 434 1 296 . 1 1 50 50 GLU HB3 H 1 2.06 . . 2 . . . . . . . . 434 1 297 . 1 1 50 50 GLU N N 15 121.3 . . 1 . . . . . . . . 434 1 298 . 1 1 51 51 GLU H H 1 8.51 . . 1 . . . . . . . . 434 1 299 . 1 1 51 51 GLU HA H 1 4.5 . . 1 . . . . . . . . 434 1 300 . 1 1 51 51 GLU HB2 H 1 2.01 . . 2 . . . . . . . . 434 1 301 . 1 1 51 51 GLU HB3 H 1 2.09 . . 2 . . . . . . . . 434 1 302 . 1 1 51 51 GLU HG2 H 1 2.27 . . 2 . . . . . . . . 434 1 303 . 1 1 51 51 GLU HG3 H 1 2.34 . . 2 . . . . . . . . 434 1 304 . 1 1 51 51 GLU N N 15 122.6 . . 1 . . . . . . . . 434 1 305 . 1 1 52 52 SER H H 1 8.39 . . 1 . . . . . . . . 434 1 306 . 1 1 52 52 SER HA H 1 4.63 . . 1 . . . . . . . . 434 1 307 . 1 1 52 52 SER HB2 H 1 3.88 . . 2 . . . . . . . . 434 1 308 . 1 1 52 52 SER HB3 H 1 3.97 . . 2 . . . . . . . . 434 1 309 . 1 1 52 52 SER N N 15 116.8 . . 1 . . . . . . . . 434 1 310 . 1 1 53 53 ASN H H 1 8.61 . . 1 . . . . . . . . 434 1 311 . 1 1 53 53 ASN HA H 1 4.6 . . 1 . . . . . . . . 434 1 312 . 1 1 53 53 ASN HB2 H 1 2.83 . . 2 . . . . . . . . 434 1 313 . 1 1 53 53 ASN HB3 H 1 2.9 . . 2 . . . . . . . . 434 1 314 . 1 1 53 53 ASN N N 15 119.7 . . 1 . . . . . . . . 434 1 315 . 1 1 54 54 ASP H H 1 8.53 . . 1 . . . . . . . . 434 1 316 . 1 1 54 54 ASP HA H 1 4.59 . . 1 . . . . . . . . 434 1 317 . 1 1 54 54 ASP HB2 H 1 2.77 . . 1 . . . . . . . . 434 1 318 . 1 1 54 54 ASP HB3 H 1 2.77 . . 1 . . . . . . . . 434 1 319 . 1 1 54 54 ASP N N 15 116.2 . . 1 . . . . . . . . 434 1 320 . 1 1 55 55 LYS H H 1 7.6 . . 1 . . . . . . . . 434 1 321 . 1 1 55 55 LYS HA H 1 4.69 . . 1 . . . . . . . . 434 1 322 . 1 1 55 55 LYS HB2 H 1 1.51 . . 2 . . . . . . . . 434 1 323 . 1 1 55 55 LYS HB3 H 1 1.74 . . 2 . . . . . . . . 434 1 324 . 1 1 55 55 LYS N N 15 118.8 . . 1 . . . . . . . . 434 1 325 . 1 1 56 56 ILE H H 1 8.37 . . 1 . . . . . . . . 434 1 326 . 1 1 56 56 ILE HA H 1 4.86 . . 1 . . . . . . . . 434 1 327 . 1 1 56 56 ILE HB H 1 2.09 . . 1 . . . . . . . . 434 1 328 . 1 1 56 56 ILE HG21 H 1 1.16 . . 1 . . . . . . . . 434 1 329 . 1 1 56 56 ILE HG22 H 1 1.16 . . 1 . . . . . . . . 434 1 330 . 1 1 56 56 ILE HG23 H 1 1.16 . . 1 . . . . . . . . 434 1 331 . 1 1 56 56 ILE N N 15 122.7 . . 1 . . . . . . . . 434 1 332 . 1 1 57 57 PRO HA H 1 5.37 . . 1 . . . . . . . . 434 1 333 . 1 1 57 57 PRO HB2 H 1 1.83 . . 2 . . . . . . . . 434 1 334 . 1 1 57 57 PRO HB3 H 1 2.15 . . 2 . . . . . . . . 434 1 335 . 1 1 57 57 PRO HG2 H 1 1.86 . . 1 . . . . . . . . 434 1 336 . 1 1 57 57 PRO HG3 H 1 1.86 . . 1 . . . . . . . . 434 1 337 . 1 1 57 57 PRO HD2 H 1 3.96 . . 2 . . . . . . . . 434 1 338 . 1 1 57 57 PRO HD3 H 1 4 . . 2 . . . . . . . . 434 1 339 . 1 1 58 58 VAL H H 1 10.01 . . 1 . . . . . . . . 434 1 340 . 1 1 58 58 VAL HA H 1 5.64 . . 1 . . . . . . . . 434 1 341 . 1 1 58 58 VAL HB H 1 2.08 . . 1 . . . . . . . . 434 1 342 . 1 1 58 58 VAL HG11 H 1 .73 . . 2 . . . . . . . . 434 1 343 . 1 1 58 58 VAL HG12 H 1 .73 . . 2 . . . . . . . . 434 1 344 . 1 1 58 58 VAL HG13 H 1 .73 . . 2 . . . . . . . . 434 1 345 . 1 1 58 58 VAL HG21 H 1 .82 . . 2 . . . . . . . . 434 1 346 . 1 1 58 58 VAL HG22 H 1 .82 . . 2 . . . . . . . . 434 1 347 . 1 1 58 58 VAL HG23 H 1 .82 . . 2 . . . . . . . . 434 1 348 . 1 1 58 58 VAL N N 15 117.8 . . 1 . . . . . . . . 434 1 349 . 1 1 59 59 ALA H H 1 8.68 . . 1 . . . . . . . . 434 1 350 . 1 1 59 59 ALA HA H 1 5.42 . . 1 . . . . . . . . 434 1 351 . 1 1 59 59 ALA HB1 H 1 1.51 . . 1 . . . . . . . . 434 1 352 . 1 1 59 59 ALA HB2 H 1 1.51 . . 1 . . . . . . . . 434 1 353 . 1 1 59 59 ALA HB3 H 1 1.51 . . 1 . . . . . . . . 434 1 354 . 1 1 59 59 ALA N N 15 120.9 . . 1 . . . . . . . . 434 1 355 . 1 1 60 60 LEU H H 1 10.53 . . 1 . . . . . . . . 434 1 356 . 1 1 60 60 LEU HA H 1 4.86 . . 1 . . . . . . . . 434 1 357 . 1 1 60 60 LEU HB2 H 1 .86 . . 2 . . . . . . . . 434 1 358 . 1 1 60 60 LEU HB3 H 1 1.51 . . 2 . . . . . . . . 434 1 359 . 1 1 60 60 LEU N N 15 124.3 . . 1 . . . . . . . . 434 1 360 . 1 1 61 61 GLY H H 1 8.26 . . 1 . . . . . . . . 434 1 361 . 1 1 61 61 GLY HA2 H 1 2.38 . . 2 . . . . . . . . 434 1 362 . 1 1 61 61 GLY HA3 H 1 4.15 . . 2 . . . . . . . . 434 1 363 . 1 1 61 61 GLY N N 15 109.9 . . 1 . . . . . . . . 434 1 364 . 1 1 62 62 LEU H H 1 8.22 . . 1 . . . . . . . . 434 1 365 . 1 1 62 62 LEU HA H 1 4.46 . . 1 . . . . . . . . 434 1 366 . 1 1 62 62 LEU HB2 H 1 1.34 . . 2 . . . . . . . . 434 1 367 . 1 1 62 62 LEU HB3 H 1 1.41 . . 2 . . . . . . . . 434 1 368 . 1 1 62 62 LEU N N 15 121.4 . . 1 . . . . . . . . 434 1 369 . 1 1 63 63 LYS H H 1 8.16 . . 1 . . . . . . . . 434 1 370 . 1 1 63 63 LYS HA H 1 3.84 . . 1 . . . . . . . . 434 1 371 . 1 1 63 63 LYS N N 15 126.3 . . 1 . . . . . . . . 434 1 372 . 1 1 64 64 GLU H H 1 8.9 . . 1 . . . . . . . . 434 1 373 . 1 1 64 64 GLU HA H 1 3.98 . . 1 . . . . . . . . 434 1 374 . 1 1 64 64 GLU HB2 H 1 2.09 . . 2 . . . . . . . . 434 1 375 . 1 1 64 64 GLU HB3 H 1 2.24 . . 2 . . . . . . . . 434 1 376 . 1 1 64 64 GLU N N 15 118.6 . . 1 . . . . . . . . 434 1 377 . 1 1 65 65 LYS H H 1 7.57 . . 1 . . . . . . . . 434 1 378 . 1 1 65 65 LYS HA H 1 4.48 . . 1 . . . . . . . . 434 1 379 . 1 1 65 65 LYS HB2 H 1 1.47 . . 1 . . . . . . . . 434 1 380 . 1 1 65 65 LYS HB3 H 1 1.47 . . 1 . . . . . . . . 434 1 381 . 1 1 65 65 LYS N N 15 115.1 . . 1 . . . . . . . . 434 1 382 . 1 1 66 66 ASN H H 1 8.4 . . 1 . . . . . . . . 434 1 383 . 1 1 66 66 ASN HA H 1 4.41 . . 1 . . . . . . . . 434 1 384 . 1 1 66 66 ASN HB2 H 1 3.01 . . 2 . . . . . . . . 434 1 385 . 1 1 66 66 ASN HB3 H 1 3.14 . . 2 . . . . . . . . 434 1 386 . 1 1 66 66 ASN N N 15 116.2 . . 1 . . . . . . . . 434 1 387 . 1 1 67 67 LEU H H 1 6.82 . . 1 . . . . . . . . 434 1 388 . 1 1 67 67 LEU HA H 1 5.34 . . 1 . . . . . . . . 434 1 389 . 1 1 67 67 LEU HB2 H 1 1.17 . . 2 . . . . . . . . 434 1 390 . 1 1 67 67 LEU HB3 H 1 1.42 . . 2 . . . . . . . . 434 1 391 . 1 1 67 67 LEU N N 15 115.7 . . 1 . . . . . . . . 434 1 392 . 1 1 68 68 TYR H H 1 9.18 . . 1 . . . . . . . . 434 1 393 . 1 1 68 68 TYR HA H 1 4.96 . . 1 . . . . . . . . 434 1 394 . 1 1 68 68 TYR HB2 H 1 2.51 . . 2 . . . . . . . . 434 1 395 . 1 1 68 68 TYR HB3 H 1 3.08 . . 2 . . . . . . . . 434 1 396 . 1 1 68 68 TYR HD1 H 1 6.88 . . 1 . . . . . . . . 434 1 397 . 1 1 68 68 TYR HD2 H 1 6.88 . . 1 . . . . . . . . 434 1 398 . 1 1 68 68 TYR HE1 H 1 6.51 . . 1 . . . . . . . . 434 1 399 . 1 1 68 68 TYR HE2 H 1 6.51 . . 1 . . . . . . . . 434 1 400 . 1 1 68 68 TYR N N 15 121.5 . . 1 . . . . . . . . 434 1 401 . 1 1 69 69 LEU H H 1 8.49 . . 1 . . . . . . . . 434 1 402 . 1 1 69 69 LEU HA H 1 4.84 . . 1 . . . . . . . . 434 1 403 . 1 1 69 69 LEU HB2 H 1 1.66 . . 2 . . . . . . . . 434 1 404 . 1 1 69 69 LEU HB3 H 1 1.96 . . 2 . . . . . . . . 434 1 405 . 1 1 69 69 LEU N N 15 121.8 . . 1 . . . . . . . . 434 1 406 . 1 1 70 70 SER H H 1 9.17 . . 1 . . . . . . . . 434 1 407 . 1 1 70 70 SER HA H 1 5.23 . . 1 . . . . . . . . 434 1 408 . 1 1 70 70 SER HB2 H 1 3.28 . . 2 . . . . . . . . 434 1 409 . 1 1 70 70 SER HB3 H 1 3.66 . . 2 . . . . . . . . 434 1 410 . 1 1 70 70 SER N N 15 115.8 . . 1 . . . . . . . . 434 1 411 . 1 1 71 71 CYS H H 1 8.35 . . 1 . . . . . . . . 434 1 412 . 1 1 71 71 CYS HA H 1 5.53 . . 1 . . . . . . . . 434 1 413 . 1 1 71 71 CYS HB2 H 1 2.46 . . 2 . . . . . . . . 434 1 414 . 1 1 71 71 CYS HB3 H 1 2.86 . . 2 . . . . . . . . 434 1 415 . 1 1 71 71 CYS N N 15 119.5 . . 1 . . . . . . . . 434 1 416 . 1 1 72 72 VAL H H 1 8.8 . . 1 . . . . . . . . 434 1 417 . 1 1 72 72 VAL HA H 1 4.58 . . 1 . . . . . . . . 434 1 418 . 1 1 72 72 VAL HB H 1 1.99 . . 1 . . . . . . . . 434 1 419 . 1 1 72 72 VAL HG11 H 1 .55 . . 2 . . . . . . . . 434 1 420 . 1 1 72 72 VAL HG12 H 1 .55 . . 2 . . . . . . . . 434 1 421 . 1 1 72 72 VAL HG13 H 1 .55 . . 2 . . . . . . . . 434 1 422 . 1 1 72 72 VAL HG21 H 1 .71 . . 2 . . . . . . . . 434 1 423 . 1 1 72 72 VAL HG22 H 1 .71 . . 2 . . . . . . . . 434 1 424 . 1 1 72 72 VAL HG23 H 1 .71 . . 2 . . . . . . . . 434 1 425 . 1 1 72 72 VAL N N 15 117 . . 1 . . . . . . . . 434 1 426 . 1 1 73 73 LEU H H 1 8.52 . . 1 . . . . . . . . 434 1 427 . 1 1 73 73 LEU HA H 1 4.17 . . 1 . . . . . . . . 434 1 428 . 1 1 73 73 LEU HB2 H 1 1.36 . . 2 . . . . . . . . 434 1 429 . 1 1 73 73 LEU HB3 H 1 1.48 . . 2 . . . . . . . . 434 1 430 . 1 1 73 73 LEU HG H 1 1.35 . . 1 . . . . . . . . 434 1 431 . 1 1 73 73 LEU HD11 H 1 .43 . . 2 . . . . . . . . 434 1 432 . 1 1 73 73 LEU HD12 H 1 .43 . . 2 . . . . . . . . 434 1 433 . 1 1 73 73 LEU HD13 H 1 .43 . . 2 . . . . . . . . 434 1 434 . 1 1 73 73 LEU HD21 H 1 .59 . . 2 . . . . . . . . 434 1 435 . 1 1 73 73 LEU HD22 H 1 .59 . . 2 . . . . . . . . 434 1 436 . 1 1 73 73 LEU HD23 H 1 .59 . . 2 . . . . . . . . 434 1 437 . 1 1 73 73 LEU N N 15 123.7 . . 1 . . . . . . . . 434 1 438 . 1 1 74 74 LYS H H 1 8.2 . . 1 . . . . . . . . 434 1 439 . 1 1 74 74 LYS HA H 1 4.39 . . 1 . . . . . . . . 434 1 440 . 1 1 74 74 LYS HB2 H 1 1.53 . . 2 . . . . . . . . 434 1 441 . 1 1 74 74 LYS HB3 H 1 1.8 . . 2 . . . . . . . . 434 1 442 . 1 1 74 74 LYS N N 15 126.4 . . 1 . . . . . . . . 434 1 443 . 1 1 75 75 ASP H H 1 9.22 . . 1 . . . . . . . . 434 1 444 . 1 1 75 75 ASP HA H 1 4.15 . . 1 . . . . . . . . 434 1 445 . 1 1 75 75 ASP HB2 H 1 2.66 . . 2 . . . . . . . . 434 1 446 . 1 1 75 75 ASP HB3 H 1 2.81 . . 2 . . . . . . . . 434 1 447 . 1 1 75 75 ASP N N 15 127.5 . . 1 . . . . . . . . 434 1 448 . 1 1 76 76 ASP H H 1 8.46 . . 1 . . . . . . . . 434 1 449 . 1 1 76 76 ASP HA H 1 4.07 . . 1 . . . . . . . . 434 1 450 . 1 1 76 76 ASP HB2 H 1 2.79 . . 2 . . . . . . . . 434 1 451 . 1 1 76 76 ASP HB3 H 1 2.86 . . 2 . . . . . . . . 434 1 452 . 1 1 76 76 ASP N N 15 109.9 . . 1 . . . . . . . . 434 1 453 . 1 1 77 77 LYS H H 1 7.71 . . 1 . . . . . . . . 434 1 454 . 1 1 77 77 LYS HA H 1 4.66 . . 1 . . . . . . . . 434 1 455 . 1 1 77 77 LYS HB2 H 1 1.6 . . 2 . . . . . . . . 434 1 456 . 1 1 77 77 LYS HB3 H 1 1.67 . . 2 . . . . . . . . 434 1 457 . 1 1 77 77 LYS N N 15 119.8 . . 1 . . . . . . . . 434 1 458 . 1 1 78 78 PRO HA H 1 3.19 . . 1 . . . . . . . . 434 1 459 . 1 1 78 78 PRO HD2 H 1 3.07 . . 1 . . . . . . . . 434 1 460 . 1 1 78 78 PRO HD3 H 1 3.07 . . 1 . . . . . . . . 434 1 461 . 1 1 79 79 THR H H 1 8.83 . . 1 . . . . . . . . 434 1 462 . 1 1 79 79 THR HA H 1 4.58 . . 1 . . . . . . . . 434 1 463 . 1 1 79 79 THR HB H 1 3.93 . . 1 . . . . . . . . 434 1 464 . 1 1 79 79 THR HG21 H 1 1.2 . . 1 . . . . . . . . 434 1 465 . 1 1 79 79 THR HG22 H 1 1.2 . . 1 . . . . . . . . 434 1 466 . 1 1 79 79 THR HG23 H 1 1.2 . . 1 . . . . . . . . 434 1 467 . 1 1 79 79 THR N N 15 120 . . 1 . . . . . . . . 434 1 468 . 1 1 80 80 LEU H H 1 8.83 . . 1 . . . . . . . . 434 1 469 . 1 1 80 80 LEU HA H 1 5.13 . . 1 . . . . . . . . 434 1 470 . 1 1 80 80 LEU HB2 H 1 1.5 . . 2 . . . . . . . . 434 1 471 . 1 1 80 80 LEU HB3 H 1 2 . . 2 . . . . . . . . 434 1 472 . 1 1 80 80 LEU HG H 1 1.6 . . 1 . . . . . . . . 434 1 473 . 1 1 80 80 LEU HD11 H 1 .75 . . 2 . . . . . . . . 434 1 474 . 1 1 80 80 LEU HD12 H 1 .75 . . 2 . . . . . . . . 434 1 475 . 1 1 80 80 LEU HD13 H 1 .75 . . 2 . . . . . . . . 434 1 476 . 1 1 80 80 LEU HD21 H 1 1.09 . . 2 . . . . . . . . 434 1 477 . 1 1 80 80 LEU HD22 H 1 1.09 . . 2 . . . . . . . . 434 1 478 . 1 1 80 80 LEU HD23 H 1 1.09 . . 2 . . . . . . . . 434 1 479 . 1 1 80 80 LEU N N 15 127.1 . . 1 . . . . . . . . 434 1 480 . 1 1 81 81 GLN H H 1 9.68 . . 1 . . . . . . . . 434 1 481 . 1 1 81 81 GLN HA H 1 4.98 . . 1 . . . . . . . . 434 1 482 . 1 1 81 81 GLN HB2 H 1 1.96 . . 1 . . . . . . . . 434 1 483 . 1 1 81 81 GLN HB3 H 1 1.96 . . 1 . . . . . . . . 434 1 484 . 1 1 81 81 GLN N N 15 126.3 . . 1 . . . . . . . . 434 1 485 . 1 1 82 82 LEU H H 1 8.44 . . 1 . . . . . . . . 434 1 486 . 1 1 82 82 LEU HA H 1 5.01 . . 1 . . . . . . . . 434 1 487 . 1 1 82 82 LEU HB2 H 1 1.37 . . 2 . . . . . . . . 434 1 488 . 1 1 82 82 LEU HB3 H 1 1.83 . . 2 . . . . . . . . 434 1 489 . 1 1 82 82 LEU HG H 1 1.59 . . 1 . . . . . . . . 434 1 490 . 1 1 82 82 LEU HD11 H 1 .71 . . 2 . . . . . . . . 434 1 491 . 1 1 82 82 LEU HD12 H 1 .71 . . 2 . . . . . . . . 434 1 492 . 1 1 82 82 LEU HD13 H 1 .71 . . 2 . . . . . . . . 434 1 493 . 1 1 82 82 LEU HD21 H 1 .72 . . 2 . . . . . . . . 434 1 494 . 1 1 82 82 LEU HD22 H 1 .72 . . 2 . . . . . . . . 434 1 495 . 1 1 82 82 LEU HD23 H 1 .72 . . 2 . . . . . . . . 434 1 496 . 1 1 82 82 LEU N N 15 122 . . 1 . . . . . . . . 434 1 497 . 1 1 83 83 GLU H H 1 9.17 . . 1 . . . . . . . . 434 1 498 . 1 1 83 83 GLU HA H 1 4.63 . . 1 . . . . . . . . 434 1 499 . 1 1 83 83 GLU HB2 H 1 2.1 . . 1 . . . . . . . . 434 1 500 . 1 1 83 83 GLU HB3 H 1 2.1 . . 1 . . . . . . . . 434 1 501 . 1 1 83 83 GLU N N 15 123.8 . . 1 . . . . . . . . 434 1 502 . 1 1 84 84 SER H H 1 8.71 . . 1 . . . . . . . . 434 1 503 . 1 1 84 84 SER HA H 1 5.15 . . 1 . . . . . . . . 434 1 504 . 1 1 84 84 SER HB2 H 1 3.9 . . 2 . . . . . . . . 434 1 505 . 1 1 84 84 SER HB3 H 1 3.92 . . 2 . . . . . . . . 434 1 506 . 1 1 84 84 SER N N 15 121.2 . . 1 . . . . . . . . 434 1 507 . 1 1 85 85 VAL H H 1 7.92 . . 1 . . . . . . . . 434 1 508 . 1 1 85 85 VAL HA H 1 4.59 . . 1 . . . . . . . . 434 1 509 . 1 1 85 85 VAL HB H 1 1.52 . . 1 . . . . . . . . 434 1 510 . 1 1 85 85 VAL N N 15 117.3 . . 1 . . . . . . . . 434 1 511 . 1 1 86 86 ASP H H 1 8.04 . . 1 . . . . . . . . 434 1 512 . 1 1 86 86 ASP HA H 1 4.9 . . 1 . . . . . . . . 434 1 513 . 1 1 86 86 ASP HB2 H 1 2.69 . . 2 . . . . . . . . 434 1 514 . 1 1 86 86 ASP HB3 H 1 2.96 . . 2 . . . . . . . . 434 1 515 . 1 1 86 86 ASP N N 15 122 . . 1 . . . . . . . . 434 1 516 . 1 1 88 88 LYS H H 1 8.38 . . 1 . . . . . . . . 434 1 517 . 1 1 88 88 LYS HA H 1 4.2 . . 1 . . . . . . . . 434 1 518 . 1 1 88 88 LYS HB2 H 1 1.73 . . 2 . . . . . . . . 434 1 519 . 1 1 88 88 LYS HB3 H 1 1.8 . . 2 . . . . . . . . 434 1 520 . 1 1 88 88 LYS N N 15 117.1 . . 1 . . . . . . . . 434 1 521 . 1 1 89 89 ASN H H 1 7.78 . . 1 . . . . . . . . 434 1 522 . 1 1 89 89 ASN HA H 1 4.75 . . 1 . . . . . . . . 434 1 523 . 1 1 89 89 ASN HB2 H 1 2.5 . . 2 . . . . . . . . 434 1 524 . 1 1 89 89 ASN HB3 H 1 2.64 . . 2 . . . . . . . . 434 1 525 . 1 1 89 89 ASN N N 15 114.5 . . 1 . . . . . . . . 434 1 526 . 1 1 90 90 TYR H H 1 7.29 . . 1 . . . . . . . . 434 1 527 . 1 1 90 90 TYR HA H 1 4.19 . . 1 . . . . . . . . 434 1 528 . 1 1 90 90 TYR HB2 H 1 2.3 . . 2 . . . . . . . . 434 1 529 . 1 1 90 90 TYR HB3 H 1 2.5 . . 2 . . . . . . . . 434 1 530 . 1 1 90 90 TYR HD1 H 1 6.74 . . 1 . . . . . . . . 434 1 531 . 1 1 90 90 TYR HD2 H 1 6.74 . . 1 . . . . . . . . 434 1 532 . 1 1 90 90 TYR HE1 H 1 6.63 . . 1 . . . . . . . . 434 1 533 . 1 1 90 90 TYR HE2 H 1 6.63 . . 1 . . . . . . . . 434 1 534 . 1 1 90 90 TYR N N 15 116.5 . . 1 . . . . . . . . 434 1 535 . 1 1 91 91 PRO HA H 1 4.25 . . 1 . . . . . . . . 434 1 536 . 1 1 92 92 LYS H H 1 7.22 . . 1 . . . . . . . . 434 1 537 . 1 1 92 92 LYS HA H 1 4.42 . . 1 . . . . . . . . 434 1 538 . 1 1 92 92 LYS N N 15 116.9 . . 1 . . . . . . . . 434 1 539 . 1 1 93 93 LYS H H 1 8.29 . . 1 . . . . . . . . 434 1 540 . 1 1 93 93 LYS HA H 1 4 . . 1 . . . . . . . . 434 1 541 . 1 1 93 93 LYS N N 15 119.2 . . 1 . . . . . . . . 434 1 542 . 1 1 94 94 LYS H H 1 7.8 . . 1 . . . . . . . . 434 1 543 . 1 1 94 94 LYS HA H 1 4.59 . . 1 . . . . . . . . 434 1 544 . 1 1 94 94 LYS HB2 H 1 1.51 . . 2 . . . . . . . . 434 1 545 . 1 1 94 94 LYS HB3 H 1 1.75 . . 2 . . . . . . . . 434 1 546 . 1 1 94 94 LYS HG2 H 1 1.26 . . 2 . . . . . . . . 434 1 547 . 1 1 94 94 LYS HG3 H 1 1.3 . . 2 . . . . . . . . 434 1 548 . 1 1 94 94 LYS N N 15 118 . . 1 . . . . . . . . 434 1 549 . 1 1 95 95 MET H H 1 7.64 . . 1 . . . . . . . . 434 1 550 . 1 1 95 95 MET HA H 1 4.23 . . 1 . . . . . . . . 434 1 551 . 1 1 95 95 MET N N 15 122.5 . . 1 . . . . . . . . 434 1 552 . 1 1 96 96 GLU H H 1 9.14 . . 1 . . . . . . . . 434 1 553 . 1 1 96 96 GLU HA H 1 4.09 . . 1 . . . . . . . . 434 1 554 . 1 1 96 96 GLU HB2 H 1 2.08 . . 2 . . . . . . . . 434 1 555 . 1 1 96 96 GLU HB3 H 1 2.23 . . 2 . . . . . . . . 434 1 556 . 1 1 96 96 GLU HG2 H 1 2.44 . . 2 . . . . . . . . 434 1 557 . 1 1 96 96 GLU HG3 H 1 2.72 . . 2 . . . . . . . . 434 1 558 . 1 1 96 96 GLU N N 15 122.7 . . 1 . . . . . . . . 434 1 559 . 1 1 97 97 LYS H H 1 8.23 . . 1 . . . . . . . . 434 1 560 . 1 1 97 97 LYS HA H 1 3.71 . . 1 . . . . . . . . 434 1 561 . 1 1 97 97 LYS HB2 H 1 1.63 . . 2 . . . . . . . . 434 1 562 . 1 1 97 97 LYS HB3 H 1 1.71 . . 2 . . . . . . . . 434 1 563 . 1 1 97 97 LYS HG2 H 1 1.24 . . 2 . . . . . . . . 434 1 564 . 1 1 97 97 LYS HG3 H 1 1.3 . . 2 . . . . . . . . 434 1 565 . 1 1 97 97 LYS N N 15 121.5 . . 1 . . . . . . . . 434 1 566 . 1 1 98 98 ARG H H 1 7.88 . . 1 . . . . . . . . 434 1 567 . 1 1 98 98 ARG HA H 1 3.91 . . 1 . . . . . . . . 434 1 568 . 1 1 98 98 ARG HB2 H 1 1.49 . . 2 . . . . . . . . 434 1 569 . 1 1 98 98 ARG HB3 H 1 1.56 . . 2 . . . . . . . . 434 1 570 . 1 1 98 98 ARG N N 15 114.2 . . 1 . . . . . . . . 434 1 571 . 1 1 99 99 PHE H H 1 7.84 . . 1 . . . . . . . . 434 1 572 . 1 1 99 99 PHE HA H 1 5.16 . . 1 . . . . . . . . 434 1 573 . 1 1 99 99 PHE HB2 H 1 2.87 . . 2 . . . . . . . . 434 1 574 . 1 1 99 99 PHE HB3 H 1 3.69 . . 2 . . . . . . . . 434 1 575 . 1 1 99 99 PHE HD1 H 1 7.51 . . 1 . . . . . . . . 434 1 576 . 1 1 99 99 PHE HD2 H 1 7.51 . . 1 . . . . . . . . 434 1 577 . 1 1 99 99 PHE HE1 H 1 7.04 . . 1 . . . . . . . . 434 1 578 . 1 1 99 99 PHE HE2 H 1 7.04 . . 1 . . . . . . . . 434 1 579 . 1 1 99 99 PHE HZ H 1 6.89 . . 1 . . . . . . . . 434 1 580 . 1 1 99 99 PHE N N 15 116.6 . . 1 . . . . . . . . 434 1 581 . 1 1 100 100 VAL H H 1 7.45 . . 1 . . . . . . . . 434 1 582 . 1 1 100 100 VAL HA H 1 4.36 . . 1 . . . . . . . . 434 1 583 . 1 1 100 100 VAL HB H 1 1.92 . . 1 . . . . . . . . 434 1 584 . 1 1 100 100 VAL HG11 H 1 .82 . . 2 . . . . . . . . 434 1 585 . 1 1 100 100 VAL HG12 H 1 .82 . . 2 . . . . . . . . 434 1 586 . 1 1 100 100 VAL HG13 H 1 .82 . . 2 . . . . . . . . 434 1 587 . 1 1 100 100 VAL HG21 H 1 .9 . . 2 . . . . . . . . 434 1 588 . 1 1 100 100 VAL HG22 H 1 .9 . . 2 . . . . . . . . 434 1 589 . 1 1 100 100 VAL HG23 H 1 .9 . . 2 . . . . . . . . 434 1 590 . 1 1 100 100 VAL N N 15 117.8 . . 1 . . . . . . . . 434 1 591 . 1 1 101 101 PHE H H 1 9.83 . . 1 . . . . . . . . 434 1 592 . 1 1 101 101 PHE HA H 1 5.15 . . 1 . . . . . . . . 434 1 593 . 1 1 101 101 PHE HB2 H 1 2.67 . . 2 . . . . . . . . 434 1 594 . 1 1 101 101 PHE HB3 H 1 2.7 . . 2 . . . . . . . . 434 1 595 . 1 1 101 101 PHE HD1 H 1 6.98 . . 1 . . . . . . . . 434 1 596 . 1 1 101 101 PHE HD2 H 1 6.98 . . 1 . . . . . . . . 434 1 597 . 1 1 101 101 PHE HE1 H 1 7.06 . . 1 . . . . . . . . 434 1 598 . 1 1 101 101 PHE HE2 H 1 7.06 . . 1 . . . . . . . . 434 1 599 . 1 1 101 101 PHE HZ H 1 6.81 . . 1 . . . . . . . . 434 1 600 . 1 1 101 101 PHE N N 15 127.2 . . 1 . . . . . . . . 434 1 601 . 1 1 102 102 ASN H H 1 10.38 . . 1 . . . . . . . . 434 1 602 . 1 1 102 102 ASN HA H 1 5.01 . . 1 . . . . . . . . 434 1 603 . 1 1 102 102 ASN HB2 H 1 2.29 . . 2 . . . . . . . . 434 1 604 . 1 1 102 102 ASN HB3 H 1 2.92 . . 2 . . . . . . . . 434 1 605 . 1 1 102 102 ASN N N 15 121.1 . . 1 . . . . . . . . 434 1 606 . 1 1 103 103 LYS H H 1 9.38 . . 1 . . . . . . . . 434 1 607 . 1 1 103 103 LYS HA H 1 4.64 . . 1 . . . . . . . . 434 1 608 . 1 1 103 103 LYS N N 15 127.7 . . 1 . . . . . . . . 434 1 609 . 1 1 104 104 ILE H H 1 9.23 . . 1 . . . . . . . . 434 1 610 . 1 1 104 104 ILE HA H 1 4.45 . . 1 . . . . . . . . 434 1 611 . 1 1 104 104 ILE HB H 1 1.74 . . 1 . . . . . . . . 434 1 612 . 1 1 104 104 ILE HG21 H 1 .9 . . 1 . . . . . . . . 434 1 613 . 1 1 104 104 ILE HG22 H 1 .9 . . 1 . . . . . . . . 434 1 614 . 1 1 104 104 ILE HG23 H 1 .9 . . 1 . . . . . . . . 434 1 615 . 1 1 104 104 ILE N N 15 133.7 . . 1 . . . . . . . . 434 1 616 . 1 1 105 105 GLU H H 1 8.48 . . 1 . . . . . . . . 434 1 617 . 1 1 105 105 GLU HA H 1 5.14 . . 1 . . . . . . . . 434 1 618 . 1 1 105 105 GLU HB2 H 1 1.73 . . 2 . . . . . . . . 434 1 619 . 1 1 105 105 GLU HB3 H 1 1.94 . . 2 . . . . . . . . 434 1 620 . 1 1 105 105 GLU HG2 H 1 2.05 . . 2 . . . . . . . . 434 1 621 . 1 1 105 105 GLU HG3 H 1 2.14 . . 2 . . . . . . . . 434 1 622 . 1 1 105 105 GLU N N 15 126.8 . . 1 . . . . . . . . 434 1 623 . 1 1 106 106 ILE H H 1 8.67 . . 1 . . . . . . . . 434 1 624 . 1 1 106 106 ILE HA H 1 4.33 . . 1 . . . . . . . . 434 1 625 . 1 1 106 106 ILE HB H 1 1.68 . . 1 . . . . . . . . 434 1 626 . 1 1 106 106 ILE HG12 H 1 1.03 . . 2 . . . . . . . . 434 1 627 . 1 1 106 106 ILE HG13 H 1 1.36 . . 2 . . . . . . . . 434 1 628 . 1 1 106 106 ILE HG21 H 1 .8 . . 1 . . . . . . . . 434 1 629 . 1 1 106 106 ILE HG22 H 1 .8 . . 1 . . . . . . . . 434 1 630 . 1 1 106 106 ILE HG23 H 1 .8 . . 1 . . . . . . . . 434 1 631 . 1 1 106 106 ILE HD11 H 1 .78 . . 1 . . . . . . . . 434 1 632 . 1 1 106 106 ILE HD12 H 1 .78 . . 1 . . . . . . . . 434 1 633 . 1 1 106 106 ILE HD13 H 1 .78 . . 1 . . . . . . . . 434 1 634 . 1 1 106 106 ILE N N 15 125.6 . . 1 . . . . . . . . 434 1 635 . 1 1 107 107 ASN H H 1 9.28 . . 1 . . . . . . . . 434 1 636 . 1 1 107 107 ASN HA H 1 4.27 . . 1 . . . . . . . . 434 1 637 . 1 1 107 107 ASN HB2 H 1 2.72 . . 2 . . . . . . . . 434 1 638 . 1 1 107 107 ASN HB3 H 1 2.99 . . 2 . . . . . . . . 434 1 639 . 1 1 107 107 ASN N N 15 126.4 . . 1 . . . . . . . . 434 1 640 . 1 1 108 108 ASN H H 1 8.81 . . 1 . . . . . . . . 434 1 641 . 1 1 108 108 ASN HA H 1 4.38 . . 1 . . . . . . . . 434 1 642 . 1 1 108 108 ASN HB2 H 1 3.02 . . 1 . . . . . . . . 434 1 643 . 1 1 108 108 ASN HB3 H 1 3.02 . . 1 . . . . . . . . 434 1 644 . 1 1 108 108 ASN N N 15 110.7 . . 1 . . . . . . . . 434 1 645 . 1 1 109 109 LYS H H 1 8.03 . . 1 . . . . . . . . 434 1 646 . 1 1 109 109 LYS HA H 1 4.78 . . 1 . . . . . . . . 434 1 647 . 1 1 109 109 LYS HB2 H 1 1.83 . . 2 . . . . . . . . 434 1 648 . 1 1 109 109 LYS HB3 H 1 1.85 . . 2 . . . . . . . . 434 1 649 . 1 1 109 109 LYS N N 15 120.1 . . 1 . . . . . . . . 434 1 650 . 1 1 110 110 LEU H H 1 9.43 . . 1 . . . . . . . . 434 1 651 . 1 1 110 110 LEU HA H 1 5.42 . . 1 . . . . . . . . 434 1 652 . 1 1 110 110 LEU HB2 H 1 .94 . . 2 . . . . . . . . 434 1 653 . 1 1 110 110 LEU HB3 H 1 1.36 . . 2 . . . . . . . . 434 1 654 . 1 1 110 110 LEU HG H 1 1.54 . . 1 . . . . . . . . 434 1 655 . 1 1 110 110 LEU HD11 H 1 .73 . . 2 . . . . . . . . 434 1 656 . 1 1 110 110 LEU HD12 H 1 .73 . . 2 . . . . . . . . 434 1 657 . 1 1 110 110 LEU HD13 H 1 .73 . . 2 . . . . . . . . 434 1 658 . 1 1 110 110 LEU HD21 H 1 .77 . . 2 . . . . . . . . 434 1 659 . 1 1 110 110 LEU HD22 H 1 .77 . . 2 . . . . . . . . 434 1 660 . 1 1 110 110 LEU HD23 H 1 .77 . . 2 . . . . . . . . 434 1 661 . 1 1 110 110 LEU N N 15 121 . . 1 . . . . . . . . 434 1 662 . 1 1 111 111 GLU H H 1 8.76 . . 1 . . . . . . . . 434 1 663 . 1 1 111 111 GLU HA H 1 5 . . 1 . . . . . . . . 434 1 664 . 1 1 111 111 GLU HB2 H 1 1.99 . . 1 . . . . . . . . 434 1 665 . 1 1 111 111 GLU HB3 H 1 1.99 . . 1 . . . . . . . . 434 1 666 . 1 1 111 111 GLU N N 15 117.8 . . 1 . . . . . . . . 434 1 667 . 1 1 112 112 PHE H H 1 10.28 . . 1 . . . . . . . . 434 1 668 . 1 1 112 112 PHE HA H 1 5.23 . . 1 . . . . . . . . 434 1 669 . 1 1 112 112 PHE HB2 H 1 2.36 . . 2 . . . . . . . . 434 1 670 . 1 1 112 112 PHE HB3 H 1 2.54 . . 2 . . . . . . . . 434 1 671 . 1 1 112 112 PHE HD1 H 1 6.62 . . 1 . . . . . . . . 434 1 672 . 1 1 112 112 PHE HD2 H 1 6.62 . . 1 . . . . . . . . 434 1 673 . 1 1 112 112 PHE HE1 H 1 6.65 . . 1 . . . . . . . . 434 1 674 . 1 1 112 112 PHE HE2 H 1 6.65 . . 1 . . . . . . . . 434 1 675 . 1 1 112 112 PHE N N 15 119.5 . . 1 . . . . . . . . 434 1 676 . 1 1 113 113 GLU H H 1 8.82 . . 1 . . . . . . . . 434 1 677 . 1 1 113 113 GLU HA H 1 4.47 . . 1 . . . . . . . . 434 1 678 . 1 1 113 113 GLU N N 15 126.2 . . 1 . . . . . . . . 434 1 679 . 1 1 114 114 SER H H 1 9.14 . . 1 . . . . . . . . 434 1 680 . 1 1 114 114 SER HA H 1 3.9 . . 1 . . . . . . . . 434 1 681 . 1 1 114 114 SER HB2 H 1 4.1 . . 2 . . . . . . . . 434 1 682 . 1 1 114 114 SER HB3 H 1 4.37 . . 2 . . . . . . . . 434 1 683 . 1 1 114 114 SER N N 15 121.9 . . 1 . . . . . . . . 434 1 684 . 1 1 115 115 ALA H H 1 8.12 . . 1 . . . . . . . . 434 1 685 . 1 1 115 115 ALA HA H 1 4.05 . . 1 . . . . . . . . 434 1 686 . 1 1 115 115 ALA HB1 H 1 1.17 . . 1 . . . . . . . . 434 1 687 . 1 1 115 115 ALA HB2 H 1 1.17 . . 1 . . . . . . . . 434 1 688 . 1 1 115 115 ALA HB3 H 1 1.17 . . 1 . . . . . . . . 434 1 689 . 1 1 115 115 ALA N N 15 128.5 . . 1 . . . . . . . . 434 1 690 . 1 1 116 116 GLN H H 1 7.87 . . 1 . . . . . . . . 434 1 691 . 1 1 116 116 GLN HA H 1 3.61 . . 1 . . . . . . . . 434 1 692 . 1 1 116 116 GLN HB2 H 1 .98 . . 2 . . . . . . . . 434 1 693 . 1 1 116 116 GLN HB3 H 1 1.42 . . 2 . . . . . . . . 434 1 694 . 1 1 116 116 GLN N N 15 116.9 . . 1 . . . . . . . . 434 1 695 . 1 1 117 117 PHE H H 1 7.38 . . 1 . . . . . . . . 434 1 696 . 1 1 117 117 PHE HA H 1 4.86 . . 1 . . . . . . . . 434 1 697 . 1 1 117 117 PHE HB2 H 1 2.58 . . 2 . . . . . . . . 434 1 698 . 1 1 117 117 PHE HB3 H 1 2.64 . . 2 . . . . . . . . 434 1 699 . 1 1 117 117 PHE HD1 H 1 6.91 . . 1 . . . . . . . . 434 1 700 . 1 1 117 117 PHE HD2 H 1 6.91 . . 1 . . . . . . . . 434 1 701 . 1 1 117 117 PHE HE1 H 1 6.81 . . 1 . . . . . . . . 434 1 702 . 1 1 117 117 PHE HE2 H 1 6.81 . . 1 . . . . . . . . 434 1 703 . 1 1 117 117 PHE N N 15 116.9 . . 1 . . . . . . . . 434 1 704 . 1 1 118 118 PRO HA H 1 4.4 . . 1 . . . . . . . . 434 1 705 . 1 1 118 118 PRO HB2 H 1 2.29 . . 1 . . . . . . . . 434 1 706 . 1 1 118 118 PRO HB3 H 1 2.29 . . 1 . . . . . . . . 434 1 707 . 1 1 118 118 PRO HG2 H 1 3.31 . . 2 . . . . . . . . 434 1 708 . 1 1 118 118 PRO HG3 H 1 3.54 . . 2 . . . . . . . . 434 1 709 . 1 1 118 118 PRO HD2 H 1 1.87 . . 2 . . . . . . . . 434 1 710 . 1 1 118 118 PRO HD3 H 1 2 . . 2 . . . . . . . . 434 1 711 . 1 1 119 119 ASN H H 1 10.23 . . 1 . . . . . . . . 434 1 712 . 1 1 119 119 ASN HA H 1 4.04 . . 1 . . . . . . . . 434 1 713 . 1 1 119 119 ASN HB2 H 1 3.03 . . 2 . . . . . . . . 434 1 714 . 1 1 119 119 ASN HB3 H 1 3.37 . . 2 . . . . . . . . 434 1 715 . 1 1 119 119 ASN N N 15 114.1 . . 1 . . . . . . . . 434 1 716 . 1 1 120 120 TRP H H 1 8.11 . . 1 . . . . . . . . 434 1 717 . 1 1 120 120 TRP HA H 1 4.98 . . 1 . . . . . . . . 434 1 718 . 1 1 120 120 TRP HB2 H 1 2.92 . . 2 . . . . . . . . 434 1 719 . 1 1 120 120 TRP HB3 H 1 3.67 . . 2 . . . . . . . . 434 1 720 . 1 1 120 120 TRP HD1 H 1 7.3 . . 1 . . . . . . . . 434 1 721 . 1 1 120 120 TRP HE1 H 1 10.01 . . 1 . . . . . . . . 434 1 722 . 1 1 120 120 TRP HE3 H 1 7.1 . . 1 . . . . . . . . 434 1 723 . 1 1 120 120 TRP HZ2 H 1 7.45 . . 1 . . . . . . . . 434 1 724 . 1 1 120 120 TRP HZ3 H 1 7.21 . . 1 . . . . . . . . 434 1 725 . 1 1 120 120 TRP HH2 H 1 7.21 . . 1 . . . . . . . . 434 1 726 . 1 1 120 120 TRP N N 15 119.7 . . 1 . . . . . . . . 434 1 727 . 1 1 121 121 TYR H H 1 9.4 . . 1 . . . . . . . . 434 1 728 . 1 1 121 121 TYR HA H 1 5.64 . . 1 . . . . . . . . 434 1 729 . 1 1 121 121 TYR HB2 H 1 2.41 . . 2 . . . . . . . . 434 1 730 . 1 1 121 121 TYR HB3 H 1 3.5 . . 2 . . . . . . . . 434 1 731 . 1 1 121 121 TYR HD1 H 1 7.01 . . 1 . . . . . . . . 434 1 732 . 1 1 121 121 TYR HD2 H 1 7.01 . . 1 . . . . . . . . 434 1 733 . 1 1 121 121 TYR HE1 H 1 6.63 . . 1 . . . . . . . . 434 1 734 . 1 1 121 121 TYR HE2 H 1 6.63 . . 1 . . . . . . . . 434 1 735 . 1 1 121 121 TYR N N 15 119.4 . . 1 . . . . . . . . 434 1 736 . 1 1 122 122 ILE H H 1 8.65 . . 1 . . . . . . . . 434 1 737 . 1 1 122 122 ILE HA H 1 3.84 . . 1 . . . . . . . . 434 1 738 . 1 1 122 122 ILE HB H 1 1.62 . . 1 . . . . . . . . 434 1 739 . 1 1 122 122 ILE HG21 H 1 .41 . . 1 . . . . . . . . 434 1 740 . 1 1 122 122 ILE HG22 H 1 .41 . . 1 . . . . . . . . 434 1 741 . 1 1 122 122 ILE HG23 H 1 .41 . . 1 . . . . . . . . 434 1 742 . 1 1 122 122 ILE N N 15 124.6 . . 1 . . . . . . . . 434 1 743 . 1 1 123 123 SER H H 1 8.98 . . 1 . . . . . . . . 434 1 744 . 1 1 123 123 SER HA H 1 5.82 . . 1 . . . . . . . . 434 1 745 . 1 1 123 123 SER HB2 H 1 2.06 . . 2 . . . . . . . . 434 1 746 . 1 1 123 123 SER HB3 H 1 3 . . 2 . . . . . . . . 434 1 747 . 1 1 123 123 SER N N 15 122.5 . . 1 . . . . . . . . 434 1 748 . 1 1 124 124 THR H H 1 8.99 . . 1 . . . . . . . . 434 1 749 . 1 1 124 124 THR HA H 1 4.83 . . 1 . . . . . . . . 434 1 750 . 1 1 124 124 THR HB H 1 4.39 . . 1 . . . . . . . . 434 1 751 . 1 1 124 124 THR HG21 H 1 1.16 . . 1 . . . . . . . . 434 1 752 . 1 1 124 124 THR HG22 H 1 1.16 . . 1 . . . . . . . . 434 1 753 . 1 1 124 124 THR HG23 H 1 1.16 . . 1 . . . . . . . . 434 1 754 . 1 1 124 124 THR N N 15 109.9 . . 1 . . . . . . . . 434 1 755 . 1 1 125 125 SER H H 1 9.55 . . 1 . . . . . . . . 434 1 756 . 1 1 125 125 SER HA H 1 4.97 . . 1 . . . . . . . . 434 1 757 . 1 1 125 125 SER HB2 H 1 3.93 . . 2 . . . . . . . . 434 1 758 . 1 1 125 125 SER HB3 H 1 3.98 . . 2 . . . . . . . . 434 1 759 . 1 1 125 125 SER N N 15 113.8 . . 1 . . . . . . . . 434 1 760 . 1 1 126 126 GLN H H 1 8.87 . . 1 . . . . . . . . 434 1 761 . 1 1 126 126 GLN HA H 1 3.98 . . 1 . . . . . . . . 434 1 762 . 1 1 126 126 GLN HB2 H 1 2.01 . . 2 . . . . . . . . 434 1 763 . 1 1 126 126 GLN HB3 H 1 2.24 . . 2 . . . . . . . . 434 1 764 . 1 1 126 126 GLN HG2 H 1 2.63 . . 2 . . . . . . . . 434 1 765 . 1 1 126 126 GLN HG3 H 1 2.38 . . 2 . . . . . . . . 434 1 766 . 1 1 126 126 GLN N N 15 122.1 . . 1 . . . . . . . . 434 1 767 . 1 1 127 127 ALA H H 1 8.17 . . 1 . . . . . . . . 434 1 768 . 1 1 127 127 ALA HA H 1 4.38 . . 1 . . . . . . . . 434 1 769 . 1 1 127 127 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 434 1 770 . 1 1 127 127 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 434 1 771 . 1 1 127 127 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 434 1 772 . 1 1 127 127 ALA N N 15 120 . . 1 . . . . . . . . 434 1 773 . 1 1 128 128 GLU H H 1 8.44 . . 1 . . . . . . . . 434 1 774 . 1 1 128 128 GLU HA H 1 4.04 . . 1 . . . . . . . . 434 1 775 . 1 1 128 128 GLU HB2 H 1 1.96 . . 2 . . . . . . . . 434 1 776 . 1 1 128 128 GLU HB3 H 1 2.27 . . 2 . . . . . . . . 434 1 777 . 1 1 128 128 GLU N N 15 117.2 . . 1 . . . . . . . . 434 1 778 . 1 1 129 129 ASN H H 1 8.06 . . 1 . . . . . . . . 434 1 779 . 1 1 129 129 ASN HA H 1 4.18 . . 1 . . . . . . . . 434 1 780 . 1 1 129 129 ASN HB2 H 1 2.55 . . 2 . . . . . . . . 434 1 781 . 1 1 129 129 ASN HB3 H 1 3.31 . . 2 . . . . . . . . 434 1 782 . 1 1 129 129 ASN N N 15 114.1 . . 1 . . . . . . . . 434 1 783 . 1 1 130 130 MET H H 1 8.84 . . 1 . . . . . . . . 434 1 784 . 1 1 130 130 MET HA H 1 5.23 . . 1 . . . . . . . . 434 1 785 . 1 1 130 130 MET HB2 H 1 2.15 . . 2 . . . . . . . . 434 1 786 . 1 1 130 130 MET HB3 H 1 2.36 . . 2 . . . . . . . . 434 1 787 . 1 1 130 130 MET N N 15 117.7 . . 1 . . . . . . . . 434 1 788 . 1 1 131 131 PRO HA H 1 5.2 . . 1 . . . . . . . . 434 1 789 . 1 1 131 131 PRO HD2 H 1 3.78 . . 2 . . . . . . . . 434 1 790 . 1 1 131 131 PRO HD3 H 1 3.94 . . 2 . . . . . . . . 434 1 791 . 1 1 132 132 VAL H H 1 8.01 . . 1 . . . . . . . . 434 1 792 . 1 1 132 132 VAL HA H 1 4.42 . . 1 . . . . . . . . 434 1 793 . 1 1 132 132 VAL HB H 1 1.75 . . 1 . . . . . . . . 434 1 794 . 1 1 132 132 VAL HG11 H 1 .86 . . 1 . . . . . . . . 434 1 795 . 1 1 132 132 VAL HG12 H 1 .86 . . 1 . . . . . . . . 434 1 796 . 1 1 132 132 VAL HG13 H 1 .86 . . 1 . . . . . . . . 434 1 797 . 1 1 132 132 VAL HG21 H 1 .86 . . 1 . . . . . . . . 434 1 798 . 1 1 132 132 VAL HG22 H 1 .86 . . 1 . . . . . . . . 434 1 799 . 1 1 132 132 VAL HG23 H 1 .86 . . 1 . . . . . . . . 434 1 800 . 1 1 132 132 VAL N N 15 125.4 . . 1 . . . . . . . . 434 1 801 . 1 1 133 133 PHE H H 1 8.65 . . 1 . . . . . . . . 434 1 802 . 1 1 133 133 PHE HA H 1 5.27 . . 1 . . . . . . . . 434 1 803 . 1 1 133 133 PHE HB2 H 1 2.97 . . 2 . . . . . . . . 434 1 804 . 1 1 133 133 PHE HB3 H 1 3.3 . . 2 . . . . . . . . 434 1 805 . 1 1 133 133 PHE HD1 H 1 7.31 . . 1 . . . . . . . . 434 1 806 . 1 1 133 133 PHE HD2 H 1 7.31 . . 1 . . . . . . . . 434 1 807 . 1 1 133 133 PHE HE1 H 1 7.23 . . 1 . . . . . . . . 434 1 808 . 1 1 133 133 PHE HE2 H 1 7.23 . . 1 . . . . . . . . 434 1 809 . 1 1 133 133 PHE HZ H 1 7.13 . . 1 . . . . . . . . 434 1 810 . 1 1 133 133 PHE N N 15 124.6 . . 1 . . . . . . . . 434 1 811 . 1 1 134 134 LEU H H 1 8.58 . . 1 . . . . . . . . 434 1 812 . 1 1 134 134 LEU HA H 1 5.21 . . 1 . . . . . . . . 434 1 813 . 1 1 134 134 LEU N N 15 119.7 . . 1 . . . . . . . . 434 1 814 . 1 1 135 135 GLY H H 1 9.34 . . 1 . . . . . . . . 434 1 815 . 1 1 135 135 GLY HA2 H 1 4.02 . . 2 . . . . . . . . 434 1 816 . 1 1 135 135 GLY HA3 H 1 4.92 . . 2 . . . . . . . . 434 1 817 . 1 1 135 135 GLY N N 15 114.9 . . 1 . . . . . . . . 434 1 818 . 1 1 136 136 GLY H H 1 8.75 . . 1 . . . . . . . . 434 1 819 . 1 1 136 136 GLY HA2 H 1 2.93 . . 2 . . . . . . . . 434 1 820 . 1 1 136 136 GLY HA3 H 1 3.84 . . 2 . . . . . . . . 434 1 821 . 1 1 136 136 GLY N N 15 111.2 . . 1 . . . . . . . . 434 1 822 . 1 1 137 137 THR H H 1 7.46 . . 1 . . . . . . . . 434 1 823 . 1 1 137 137 THR HA H 1 4.31 . . 1 . . . . . . . . 434 1 824 . 1 1 137 137 THR HB H 1 3.99 . . 1 . . . . . . . . 434 1 825 . 1 1 137 137 THR HG21 H 1 .96 . . 1 . . . . . . . . 434 1 826 . 1 1 137 137 THR HG22 H 1 .96 . . 1 . . . . . . . . 434 1 827 . 1 1 137 137 THR HG23 H 1 .96 . . 1 . . . . . . . . 434 1 828 . 1 1 137 137 THR N N 15 112.1 . . 1 . . . . . . . . 434 1 829 . 1 1 138 138 LYS H H 1 8.37 . . 1 . . . . . . . . 434 1 830 . 1 1 138 138 LYS HA H 1 4.29 . . 1 . . . . . . . . 434 1 831 . 1 1 138 138 LYS HB2 H 1 1.53 . . 2 . . . . . . . . 434 1 832 . 1 1 138 138 LYS HB3 H 1 1.56 . . 2 . . . . . . . . 434 1 833 . 1 1 138 138 LYS N N 15 124.4 . . 1 . . . . . . . . 434 1 834 . 1 1 139 139 GLY H H 1 8.63 . . 1 . . . . . . . . 434 1 835 . 1 1 139 139 GLY HA2 H 1 3.83 . . 2 . . . . . . . . 434 1 836 . 1 1 139 139 GLY HA3 H 1 4.02 . . 2 . . . . . . . . 434 1 837 . 1 1 139 139 GLY N N 15 111.5 . . 1 . . . . . . . . 434 1 838 . 1 1 140 140 GLY H H 1 8.15 . . 1 . . . . . . . . 434 1 839 . 1 1 140 140 GLY HA2 H 1 3.78 . . 2 . . . . . . . . 434 1 840 . 1 1 140 140 GLY HA3 H 1 4.2 . . 2 . . . . . . . . 434 1 841 . 1 1 140 140 GLY N N 15 109 . . 1 . . . . . . . . 434 1 842 . 1 1 141 141 GLN H H 1 8.4 . . 1 . . . . . . . . 434 1 843 . 1 1 141 141 GLN HA H 1 4.29 . . 1 . . . . . . . . 434 1 844 . 1 1 141 141 GLN HB2 H 1 2 . . 2 . . . . . . . . 434 1 845 . 1 1 141 141 GLN HB3 H 1 2.2 . . 2 . . . . . . . . 434 1 846 . 1 1 141 141 GLN N N 15 119.7 . . 1 . . . . . . . . 434 1 847 . 1 1 142 142 ASP H H 1 7.79 . . 1 . . . . . . . . 434 1 848 . 1 1 142 142 ASP HA H 1 4.93 . . 1 . . . . . . . . 434 1 849 . 1 1 142 142 ASP HB2 H 1 2.57 . . 2 . . . . . . . . 434 1 850 . 1 1 142 142 ASP HB3 H 1 2.82 . . 2 . . . . . . . . 434 1 851 . 1 1 142 142 ASP N N 15 119.6 . . 1 . . . . . . . . 434 1 852 . 1 1 143 143 ILE H H 1 9.18 . . 1 . . . . . . . . 434 1 853 . 1 1 143 143 ILE HA H 1 3.92 . . 1 . . . . . . . . 434 1 854 . 1 1 143 143 ILE HB H 1 2.41 . . 1 . . . . . . . . 434 1 855 . 1 1 143 143 ILE HG21 H 1 .78 . . 1 . . . . . . . . 434 1 856 . 1 1 143 143 ILE HG22 H 1 .78 . . 1 . . . . . . . . 434 1 857 . 1 1 143 143 ILE HG23 H 1 .78 . . 1 . . . . . . . . 434 1 858 . 1 1 143 143 ILE N N 15 125.5 . . 1 . . . . . . . . 434 1 859 . 1 1 144 144 THR H H 1 8.12 . . 1 . . . . . . . . 434 1 860 . 1 1 144 144 THR HA H 1 4.99 . . 1 . . . . . . . . 434 1 861 . 1 1 144 144 THR HB H 1 4.39 . . 1 . . . . . . . . 434 1 862 . 1 1 144 144 THR HG21 H 1 .96 . . 1 . . . . . . . . 434 1 863 . 1 1 144 144 THR HG22 H 1 .96 . . 1 . . . . . . . . 434 1 864 . 1 1 144 144 THR HG23 H 1 .96 . . 1 . . . . . . . . 434 1 865 . 1 1 144 144 THR N N 15 111.8 . . 1 . . . . . . . . 434 1 866 . 1 1 145 145 ASP H H 1 7.1 . . 1 . . . . . . . . 434 1 867 . 1 1 145 145 ASP HA H 1 5.58 . . 1 . . . . . . . . 434 1 868 . 1 1 145 145 ASP HB2 H 1 2.42 . . 2 . . . . . . . . 434 1 869 . 1 1 145 145 ASP HB3 H 1 2.54 . . 2 . . . . . . . . 434 1 870 . 1 1 145 145 ASP N N 15 120.6 . . 1 . . . . . . . . 434 1 871 . 1 1 146 146 PHE H H 1 9.55 . . 1 . . . . . . . . 434 1 872 . 1 1 146 146 PHE HA H 1 5.22 . . 1 . . . . . . . . 434 1 873 . 1 1 146 146 PHE HB2 H 1 2.63 . . 2 . . . . . . . . 434 1 874 . 1 1 146 146 PHE HB3 H 1 3.09 . . 2 . . . . . . . . 434 1 875 . 1 1 146 146 PHE HD1 H 1 7.01 . . 1 . . . . . . . . 434 1 876 . 1 1 146 146 PHE HD2 H 1 7.01 . . 1 . . . . . . . . 434 1 877 . 1 1 146 146 PHE HE1 H 1 7.11 . . 1 . . . . . . . . 434 1 878 . 1 1 146 146 PHE HE2 H 1 7.11 . . 1 . . . . . . . . 434 1 879 . 1 1 146 146 PHE HZ H 1 6.81 . . 1 . . . . . . . . 434 1 880 . 1 1 146 146 PHE N N 15 118 . . 1 . . . . . . . . 434 1 881 . 1 1 147 147 THR H H 1 9.47 . . 1 . . . . . . . . 434 1 882 . 1 1 147 147 THR HA H 1 4.74 . . 1 . . . . . . . . 434 1 883 . 1 1 147 147 THR HB H 1 4.19 . . 1 . . . . . . . . 434 1 884 . 1 1 147 147 THR HG21 H 1 1.22 . . 1 . . . . . . . . 434 1 885 . 1 1 147 147 THR HG22 H 1 1.22 . . 1 . . . . . . . . 434 1 886 . 1 1 147 147 THR HG23 H 1 1.22 . . 1 . . . . . . . . 434 1 887 . 1 1 147 147 THR N N 15 110 . . 1 . . . . . . . . 434 1 888 . 1 1 148 148 MET H H 1 8.67 . . 1 . . . . . . . . 434 1 889 . 1 1 148 148 MET HA H 1 5.39 . . 1 . . . . . . . . 434 1 890 . 1 1 148 148 MET HB2 H 1 1.78 . . 1 . . . . . . . . 434 1 891 . 1 1 148 148 MET HB3 H 1 1.78 . . 1 . . . . . . . . 434 1 892 . 1 1 148 148 MET N N 15 121.3 . . 1 . . . . . . . . 434 1 893 . 1 1 149 149 GLN H H 1 8.43 . . 1 . . . . . . . . 434 1 894 . 1 1 149 149 GLN HA H 1 4.63 . . 1 . . . . . . . . 434 1 895 . 1 1 149 149 GLN HB2 H 1 2.07 . . 1 . . . . . . . . 434 1 896 . 1 1 149 149 GLN HB3 H 1 2.07 . . 1 . . . . . . . . 434 1 897 . 1 1 149 149 GLN N N 15 123.7 . . 1 . . . . . . . . 434 1 898 . 1 1 150 150 PHE H H 1 8.72 . . 1 . . . . . . . . 434 1 899 . 1 1 150 150 PHE HA H 1 4.77 . . 1 . . . . . . . . 434 1 900 . 1 1 150 150 PHE HB2 H 1 3.03 . . 2 . . . . . . . . 434 1 901 . 1 1 150 150 PHE HB3 H 1 3.26 . . 2 . . . . . . . . 434 1 902 . 1 1 150 150 PHE HD1 H 1 7.33 . . 1 . . . . . . . . 434 1 903 . 1 1 150 150 PHE HD2 H 1 7.33 . . 1 . . . . . . . . 434 1 904 . 1 1 150 150 PHE HE1 H 1 7.39 . . 1 . . . . . . . . 434 1 905 . 1 1 150 150 PHE HE2 H 1 7.39 . . 1 . . . . . . . . 434 1 906 . 1 1 150 150 PHE N N 15 123.7 . . 1 . . . . . . . . 434 1 907 . 1 1 151 151 VAL H H 1 8.05 . . 1 . . . . . . . . 434 1 908 . 1 1 151 151 VAL HA H 1 4.36 . . 1 . . . . . . . . 434 1 909 . 1 1 151 151 VAL HB H 1 1.84 . . 1 . . . . . . . . 434 1 910 . 1 1 151 151 VAL HG11 H 1 .9 . . 2 . . . . . . . . 434 1 911 . 1 1 151 151 VAL HG12 H 1 .9 . . 2 . . . . . . . . 434 1 912 . 1 1 151 151 VAL HG13 H 1 .9 . . 2 . . . . . . . . 434 1 913 . 1 1 151 151 VAL HG21 H 1 .95 . . 2 . . . . . . . . 434 1 914 . 1 1 151 151 VAL HG22 H 1 .95 . . 2 . . . . . . . . 434 1 915 . 1 1 151 151 VAL HG23 H 1 .95 . . 2 . . . . . . . . 434 1 916 . 1 1 151 151 VAL N N 15 122.6 . . 1 . . . . . . . . 434 1 917 . 1 1 152 152 SER H H 1 8.39 . . 1 . . . . . . . . 434 1 918 . 1 1 152 152 SER HA H 1 4.48 . . 1 . . . . . . . . 434 1 919 . 1 1 152 152 SER HB2 H 1 3.94 . . 1 . . . . . . . . 434 1 920 . 1 1 152 152 SER HB3 H 1 3.94 . . 1 . . . . . . . . 434 1 921 . 1 1 152 152 SER N N 15 119.4 . . 1 . . . . . . . . 434 1 922 . 1 1 153 153 SER H H 1 7.98 . . 1 . . . . . . . . 434 1 923 . 1 1 153 153 SER HA H 1 4.31 . . 1 . . . . . . . . 434 1 924 . 1 1 153 153 SER HB2 H 1 3.89 . . 1 . . . . . . . . 434 1 925 . 1 1 153 153 SER HB3 H 1 3.89 . . 1 . . . . . . . . 434 1 926 . 1 1 153 153 SER N N 15 122.5 . . 1 . . . . . . . . 434 1 stop_ save_