data_6434 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6434 _Entry.Title ; Backbone and Sidechain Assignments of the Lambda Bacteriophage Tail Assembly Protein gpU ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-12-16 _Entry.Accession_date 2004-12-16 _Entry.Last_release_date 2005-07-26 _Entry.Original_release_date 2005-07-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lizbeth Edmonds . . . 6434 2 Ramanan Thirumoorthy . . . 6434 3 Amanda Liu . . . 6434 4 Alan Davidson . . . 6434 5 Logan Donaldson . W. . 6434 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6434 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 546 6434 '1H chemical shifts' 854 6434 '15N chemical shifts' 137 6434 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-07-26 2004-12-16 original author . 6434 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6434 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: NMR assignment of the gpU tail protein from lambda bacteriophage ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 1 _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 91 _Citation.Page_last 92 _Citation.Year 2005 _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 Lizbeth Edmonds . . . 6434 1 2 Ramanan Thirumoorthy . . . 6434 1 3 Amanda Liu . . . 6434 1 4 Alan Davidson . . . 6434 1 5 Logan Donaldson . W. . 6434 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID bacteriophage 6434 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_gpU _Assembly.Sf_category assembly _Assembly.Sf_framecode system_gpU _Assembly.Entry_ID 6434 _Assembly.ID 1 _Assembly.Name gpU _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6434 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'GPU monomer' 1 $gpU . . . native . . . . . 6434 1 2 MG_2+ 2 $MG . . . native . . . . . 6434 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID gpU system 6434 1 gpU abbreviation 6434 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'involved in tail spike assembly with gpV' 6434 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_gpU _Entity.Sf_category entity _Entity.Sf_framecode gpU _Entity.Entry_ID 6434 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name gpU _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSHHHHHHSSGLVPRGSHM KHTELRAAVLDALEKHDTGA TFFDGRPAVFDEADFPAVAV YLTGAEYTGEELDSDTWQAE LHIEVFLPAQVPDSELDAWM ESRIYPVMSDIPALSDLITS MVASGYDYRRDDDAGLWSSA DLTYVITYEM ; _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 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16681 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'hexamerizes in the presence of > 20 mM Mg(II)' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1Z1Z . "Nmr Structure Of The Gpu Tail Protein From Lambda Bacteriophage" . . . . . 87.33 131 100.00 100.00 6.55e-88 . . . . 6434 1 2 no PDB 3FZB . "Crystal Structure Of The Tail Terminator Protein From Phage Lambda (Gpu-Wt)" . . . . . 89.33 134 100.00 100.00 3.25e-90 . . . . 6434 1 3 no DBJ BAB35062 . "minor tail protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 87.33 131 100.00 100.00 6.55e-88 . . . . 6434 1 4 no DBJ BAG76127 . "putative phage tail fiber component [Escherichia coli SE11]" . . . . . 87.33 131 100.00 100.00 6.55e-88 . . . . 6434 1 5 no DBJ BAG77177 . "putative phage tail component [Escherichia coli SE11]" . . . . . 87.33 131 96.95 99.24 3.19e-86 . . . . 6434 1 6 no DBJ BAG77581 . "putative phage tail component [Escherichia coli SE11]" . . . . . 87.33 131 100.00 100.00 6.55e-88 . . . . 6434 1 7 no DBJ BAI23947 . "putative minor tail protein [Escherichia coli O26:H11 str. 11368]" . . . . . 87.33 131 99.24 100.00 2.37e-87 . . . . 6434 1 8 no EMBL CAQ31258 . "enterobacteria phage lambda, tail component [Escherichia coli BL21(DE3)]" . . . . . 87.33 131 100.00 100.00 6.55e-88 . . . . 6434 1 9 no EMBL CAQ97656 . "Minor tail protein U [Escherichia coli IAI1]" . . . . . 87.33 131 97.71 99.24 1.93e-86 . . . . 6434 1 10 no EMBL CAQ98436 . "Minor tail protein U [Escherichia coli IAI1]" . . . . . 87.33 131 97.71 99.24 1.93e-86 . . . . 6434 1 11 no EMBL CAR12634 . "Minor tail protein U [Escherichia coli UMN026]" . . . . . 87.33 131 99.24 100.00 1.81e-87 . . . . 6434 1 12 no EMBL CAR16658 . "Minor tail protein U [Escherichia coli IAI39]" . . . . . 87.33 131 97.71 99.24 1.93e-86 . . . . 6434 1 13 no GB AAA96544 . "U (tail component;131) [Enterobacteria phage lambda]" . . . . . 87.33 131 100.00 100.00 6.55e-88 . . . . 6434 1 14 no GB AAG55989 . "putative tail component of prophage CP-933X [Escherichia coli O157:H7 str. EDL933]" . . . . . 87.33 131 100.00 100.00 6.55e-88 . . . . 6434 1 15 no GB AAN81616 . "Putative tail component of prophage [Escherichia coli CFT073]" . . . . . 87.33 131 96.95 99.24 3.68e-85 . . . . 6434 1 16 no GB ABE06803 . "putative tail component of prophage [Escherichia coli UTI89]" . . . . . 87.33 131 96.95 98.47 1.08e-85 . . . . 6434 1 17 no GB ABG69187 . "minor tail protein U [Escherichia coli 536]" . . . . . 87.33 131 97.71 98.47 1.21e-85 . . . . 6434 1 18 no REF NP_040591 . "tail component [Enterobacteria phage lambda]" . . . . . 87.33 131 100.00 100.00 6.55e-88 . . . . 6434 1 19 no REF NP_287377 . "tail component of prophage CP-933X [Escherichia coli O157:H7 str. EDL933]" . . . . . 87.33 131 100.00 100.00 6.55e-88 . . . . 6434 1 20 no REF NP_309666 . "minor tail protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 87.33 131 100.00 100.00 6.55e-88 . . . . 6434 1 21 no REF NP_755046 . "tail component of prophage [Escherichia coli CFT073]" . . . . . 87.33 131 96.95 99.24 3.68e-85 . . . . 6434 1 22 no REF WP_000352477 . "hypothetical protein, partial [Escherichia coli]" . . . . . 53.33 80 98.75 100.00 8.05e-48 . . . . 6434 1 23 no SP P03732 . "RecName: Full=Tail terminator protein; Short=TrP; AltName: Full=Gene product U; Short=gpU; AltName: Full=Minor tail protein U; " . . . . . 87.33 131 100.00 100.00 6.55e-88 . . . . 6434 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID gpU common 6434 1 gpU abbreviation 6434 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 . GLY . 6434 1 2 . SER . 6434 1 3 . SER . 6434 1 4 . HIS . 6434 1 5 . HIS . 6434 1 6 . HIS . 6434 1 7 . HIS . 6434 1 8 . HIS . 6434 1 9 . HIS . 6434 1 10 . SER . 6434 1 11 . SER . 6434 1 12 . GLY . 6434 1 13 . LEU . 6434 1 14 . VAL . 6434 1 15 . PRO . 6434 1 16 . ARG . 6434 1 17 . GLY . 6434 1 18 . SER . 6434 1 19 . HIS . 6434 1 20 . MET . 6434 1 21 . LYS . 6434 1 22 . HIS . 6434 1 23 . THR . 6434 1 24 . GLU . 6434 1 25 . LEU . 6434 1 26 . ARG . 6434 1 27 . ALA . 6434 1 28 . ALA . 6434 1 29 . VAL . 6434 1 30 . LEU . 6434 1 31 . ASP . 6434 1 32 . ALA . 6434 1 33 . LEU . 6434 1 34 . GLU . 6434 1 35 . LYS . 6434 1 36 . HIS . 6434 1 37 . ASP . 6434 1 38 . THR . 6434 1 39 . GLY . 6434 1 40 . ALA . 6434 1 41 . THR . 6434 1 42 . PHE . 6434 1 43 . PHE . 6434 1 44 . ASP . 6434 1 45 . GLY . 6434 1 46 . ARG . 6434 1 47 . PRO . 6434 1 48 . ALA . 6434 1 49 . VAL . 6434 1 50 . PHE . 6434 1 51 . ASP . 6434 1 52 . GLU . 6434 1 53 . ALA . 6434 1 54 . ASP . 6434 1 55 . PHE . 6434 1 56 . PRO . 6434 1 57 . ALA . 6434 1 58 . VAL . 6434 1 59 . ALA . 6434 1 60 . VAL . 6434 1 61 . TYR . 6434 1 62 . LEU . 6434 1 63 . THR . 6434 1 64 . GLY . 6434 1 65 . ALA . 6434 1 66 . GLU . 6434 1 67 . TYR . 6434 1 68 . THR . 6434 1 69 . GLY . 6434 1 70 . GLU . 6434 1 71 . GLU . 6434 1 72 . LEU . 6434 1 73 . ASP . 6434 1 74 . SER . 6434 1 75 . ASP . 6434 1 76 . THR . 6434 1 77 . TRP . 6434 1 78 . GLN . 6434 1 79 . ALA . 6434 1 80 . GLU . 6434 1 81 . LEU . 6434 1 82 . HIS . 6434 1 83 . ILE . 6434 1 84 . GLU . 6434 1 85 . VAL . 6434 1 86 . PHE . 6434 1 87 . LEU . 6434 1 88 . PRO . 6434 1 89 . ALA . 6434 1 90 . GLN . 6434 1 91 . VAL . 6434 1 92 . PRO . 6434 1 93 . ASP . 6434 1 94 . SER . 6434 1 95 . GLU . 6434 1 96 . LEU . 6434 1 97 . ASP . 6434 1 98 . ALA . 6434 1 99 . TRP . 6434 1 100 . MET . 6434 1 101 . GLU . 6434 1 102 . SER . 6434 1 103 . ARG . 6434 1 104 . ILE . 6434 1 105 . TYR . 6434 1 106 . PRO . 6434 1 107 . VAL . 6434 1 108 . MET . 6434 1 109 . SER . 6434 1 110 . ASP . 6434 1 111 . ILE . 6434 1 112 . PRO . 6434 1 113 . ALA . 6434 1 114 . LEU . 6434 1 115 . SER . 6434 1 116 . ASP . 6434 1 117 . LEU . 6434 1 118 . ILE . 6434 1 119 . THR . 6434 1 120 . SER . 6434 1 121 . MET . 6434 1 122 . VAL . 6434 1 123 . ALA . 6434 1 124 . SER . 6434 1 125 . GLY . 6434 1 126 . TYR . 6434 1 127 . ASP . 6434 1 128 . TYR . 6434 1 129 . ARG . 6434 1 130 . ARG . 6434 1 131 . ASP . 6434 1 132 . ASP . 6434 1 133 . ASP . 6434 1 134 . ALA . 6434 1 135 . GLY . 6434 1 136 . LEU . 6434 1 137 . TRP . 6434 1 138 . SER . 6434 1 139 . SER . 6434 1 140 . ALA . 6434 1 141 . ASP . 6434 1 142 . LEU . 6434 1 143 . THR . 6434 1 144 . TYR . 6434 1 145 . VAL . 6434 1 146 . ILE . 6434 1 147 . THR . 6434 1 148 . TYR . 6434 1 149 . GLU . 6434 1 150 . MET . 6434 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 . GLY 1 1 6434 1 . SER 2 2 6434 1 . SER 3 3 6434 1 . HIS 4 4 6434 1 . HIS 5 5 6434 1 . HIS 6 6 6434 1 . HIS 7 7 6434 1 . HIS 8 8 6434 1 . HIS 9 9 6434 1 . SER 10 10 6434 1 . SER 11 11 6434 1 . GLY 12 12 6434 1 . LEU 13 13 6434 1 . VAL 14 14 6434 1 . PRO 15 15 6434 1 . ARG 16 16 6434 1 . GLY 17 17 6434 1 . SER 18 18 6434 1 . HIS 19 19 6434 1 . MET 20 20 6434 1 . LYS 21 21 6434 1 . HIS 22 22 6434 1 . THR 23 23 6434 1 . GLU 24 24 6434 1 . LEU 25 25 6434 1 . ARG 26 26 6434 1 . ALA 27 27 6434 1 . ALA 28 28 6434 1 . VAL 29 29 6434 1 . LEU 30 30 6434 1 . ASP 31 31 6434 1 . ALA 32 32 6434 1 . LEU 33 33 6434 1 . GLU 34 34 6434 1 . LYS 35 35 6434 1 . HIS 36 36 6434 1 . ASP 37 37 6434 1 . THR 38 38 6434 1 . GLY 39 39 6434 1 . ALA 40 40 6434 1 . THR 41 41 6434 1 . PHE 42 42 6434 1 . PHE 43 43 6434 1 . ASP 44 44 6434 1 . GLY 45 45 6434 1 . ARG 46 46 6434 1 . PRO 47 47 6434 1 . ALA 48 48 6434 1 . VAL 49 49 6434 1 . PHE 50 50 6434 1 . ASP 51 51 6434 1 . GLU 52 52 6434 1 . ALA 53 53 6434 1 . ASP 54 54 6434 1 . PHE 55 55 6434 1 . PRO 56 56 6434 1 . ALA 57 57 6434 1 . VAL 58 58 6434 1 . ALA 59 59 6434 1 . VAL 60 60 6434 1 . TYR 61 61 6434 1 . LEU 62 62 6434 1 . THR 63 63 6434 1 . GLY 64 64 6434 1 . ALA 65 65 6434 1 . GLU 66 66 6434 1 . TYR 67 67 6434 1 . THR 68 68 6434 1 . GLY 69 69 6434 1 . GLU 70 70 6434 1 . GLU 71 71 6434 1 . LEU 72 72 6434 1 . ASP 73 73 6434 1 . SER 74 74 6434 1 . ASP 75 75 6434 1 . THR 76 76 6434 1 . TRP 77 77 6434 1 . GLN 78 78 6434 1 . ALA 79 79 6434 1 . GLU 80 80 6434 1 . LEU 81 81 6434 1 . HIS 82 82 6434 1 . ILE 83 83 6434 1 . GLU 84 84 6434 1 . VAL 85 85 6434 1 . PHE 86 86 6434 1 . LEU 87 87 6434 1 . PRO 88 88 6434 1 . ALA 89 89 6434 1 . GLN 90 90 6434 1 . VAL 91 91 6434 1 . PRO 92 92 6434 1 . ASP 93 93 6434 1 . SER 94 94 6434 1 . GLU 95 95 6434 1 . LEU 96 96 6434 1 . ASP 97 97 6434 1 . ALA 98 98 6434 1 . TRP 99 99 6434 1 . MET 100 100 6434 1 . GLU 101 101 6434 1 . SER 102 102 6434 1 . ARG 103 103 6434 1 . ILE 104 104 6434 1 . TYR 105 105 6434 1 . PRO 106 106 6434 1 . VAL 107 107 6434 1 . MET 108 108 6434 1 . SER 109 109 6434 1 . ASP 110 110 6434 1 . ILE 111 111 6434 1 . PRO 112 112 6434 1 . ALA 113 113 6434 1 . LEU 114 114 6434 1 . SER 115 115 6434 1 . ASP 116 116 6434 1 . LEU 117 117 6434 1 . ILE 118 118 6434 1 . THR 119 119 6434 1 . SER 120 120 6434 1 . MET 121 121 6434 1 . VAL 122 122 6434 1 . ALA 123 123 6434 1 . SER 124 124 6434 1 . GLY 125 125 6434 1 . TYR 126 126 6434 1 . ASP 127 127 6434 1 . TYR 128 128 6434 1 . ARG 129 129 6434 1 . ARG 130 130 6434 1 . ASP 131 131 6434 1 . ASP 132 132 6434 1 . ASP 133 133 6434 1 . ALA 134 134 6434 1 . GLY 135 135 6434 1 . LEU 136 136 6434 1 . TRP 137 137 6434 1 . SER 138 138 6434 1 . SER 139 139 6434 1 . ALA 140 140 6434 1 . ASP 141 141 6434 1 . LEU 142 142 6434 1 . THR 143 143 6434 1 . TYR 144 144 6434 1 . VAL 145 145 6434 1 . ILE 146 146 6434 1 . THR 147 147 6434 1 . TYR 148 148 6434 1 . GLU 149 149 6434 1 . MET 150 150 6434 1 stop_ save_ save_MG _Entity.Sf_category entity _Entity.Sf_framecode MG _Entity.Entry_ID 6434 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MG . 6434 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6434 _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 $gpU . 10710 virus . 'Lambda-like viruses lambda' 'bacteriophage lambda' . . Viruses . 'Lambda-like viruses' lambda . . . . . . . . . . . . . . . . . . . . . 6434 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 6434 _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 $gpU . 'recombinant technology' . . . . . . BL21(DE3) . . . . . . . . . . . . . . . . . . . 'protein expressed in Novagen pET system in Escherichia coli strain BL21(DE3)' . . 6434 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 6434 _Chem_comp.ID MG _Chem_comp.Provenance . _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 14 12:24:59 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Mg+2] SMILES ACDLabs 10.04 6434 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 6434 MG [Mg++] SMILES CACTVS 3.341 6434 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6434 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 6434 MG InChI=1S/Mg/q+2 InChI InChI 1.03 6434 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 6434 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 6434 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6434 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG . MG . . MG . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6434 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6434 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 gpU '[U-98% 13C; U-98% 15N]' . . 1 $gpU . . 0.8 0.7 0.9 mM . . . . 6434 1 2 deutero-Tris [U-d10] . . . . . . 5 . . mM . . . . 6434 1 3 KCl . . . . . . . 50 . . mM . . . . 6434 1 4 'sodium azide' . . . . . . . 0.02 . . % . . . . 6434 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition-1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition-1 _Sample_condition_list.Entry_ID 6434 _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 7.8 0.2 n/a 6434 1 temperature 293 0.1 K 6434 1 'ionic strength' 0.05 0.01 M 6434 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6434 _Software.ID 1 _Software.Name NMRView _Software.Version 5.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6434 1 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 6434 _Software.ID 2 _Software.Name nmrPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6434 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6434 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance DRX' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6434 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6434 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'Avance DRX' . 600 . . . 6434 1 2 NMR_spectrometer_2 Varian Inova . 800 . . . 6434 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 6434 _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 'Bruker 600 MHz at York University' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition-1 . . . . . . . . . . . . . . . . . . . . . 6434 1 2 'Varian 800 MHz at NANUC, Edmonton, AB, Canada' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition-1 . . . . . . . . . . . . . . . . . . . . . 6434 1 3 'Varian 800 MHz at QANUC, Montreal, QC, Canada' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition-1 . . . . . . . . . . . . . . . . . . . . . 6434 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6434 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6434 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6434 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6434 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode set_1 _Assigned_chem_shift_list.Entry_ID 6434 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition-1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6434 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 11 11 SER CA C 13 58.209 . . 1 . . . . . . . . 6434 1 2 . 1 1 11 11 SER HA H 1 4.448 0.02 . 1 . . . . . . . . 6434 1 3 . 1 1 11 11 SER CB C 13 63.688 . . 1 . . . . . . . . 6434 1 4 . 1 1 11 11 SER HB3 H 1 3.865 0.02 . 1 . . . . . . . . 6434 1 5 . 1 1 11 11 SER HB2 H 1 3.865 0.02 . 1 . . . . . . . . 6434 1 6 . 1 1 12 12 GLY N N 15 110.519 0.4 . 1 . . . . . . . . 6434 1 7 . 1 1 12 12 GLY H H 1 8.388 0.02 . 1 . . . . . . . . 6434 1 8 . 1 1 12 12 GLY CA C 13 45.142 . . 1 . . . . . . . . 6434 1 9 . 1 1 12 12 GLY HA3 H 1 4.099 0.02 . 2 . . . . . . . . 6434 1 10 . 1 1 12 12 GLY HA2 H 1 3.929 0.02 . 2 . . . . . . . . 6434 1 11 . 1 1 12 12 GLY C C 13 179.737 . . 1 . . . . . . . . 6434 1 12 . 1 1 13 13 LEU N N 15 121.462 0.4 . 1 . . . . . . . . 6434 1 13 . 1 1 13 13 LEU H H 1 8.039 0.02 . 1 . . . . . . . . 6434 1 14 . 1 1 13 13 LEU CA C 13 55.033 . . 1 . . . . . . . . 6434 1 15 . 1 1 13 13 LEU HA H 1 4.342 0.02 . 1 . . . . . . . . 6434 1 16 . 1 1 13 13 LEU CB C 13 42.314 . . 1 . . . . . . . . 6434 1 17 . 1 1 13 13 LEU HB3 H 1 1.589 0.02 . 1 . . . . . . . . 6434 1 18 . 1 1 13 13 LEU HB2 H 1 1.589 0.02 . 1 . . . . . . . . 6434 1 19 . 1 1 13 13 LEU CG C 13 26.818 . . 1 . . . . . . . . 6434 1 20 . 1 1 13 13 LEU HG H 1 1.560 0.02 . 1 . . . . . . . . 6434 1 21 . 1 1 13 13 LEU CD1 C 13 26.435 . . 1 . . . . . . . . 6434 1 22 . 1 1 13 13 LEU HD11 H 1 0.891 0.02 . 2 . . . . . . . . 6434 1 23 . 1 1 13 13 LEU HD12 H 1 0.891 0.02 . 2 . . . . . . . . 6434 1 24 . 1 1 13 13 LEU HD13 H 1 0.891 0.02 . 2 . . . . . . . . 6434 1 25 . 1 1 13 13 LEU CD2 C 13 23.367 . . 1 . . . . . . . . 6434 1 26 . 1 1 13 13 LEU HD21 H 1 0.860 0.02 . 2 . . . . . . . . 6434 1 27 . 1 1 13 13 LEU HD22 H 1 0.860 0.02 . 2 . . . . . . . . 6434 1 28 . 1 1 13 13 LEU HD23 H 1 0.860 0.02 . 2 . . . . . . . . 6434 1 29 . 1 1 13 13 LEU C C 13 180.967 . . 1 . . . . . . . . 6434 1 30 . 1 1 14 14 VAL N N 15 122.452 0.4 . 1 . . . . . . . . 6434 1 31 . 1 1 14 14 VAL H H 1 8.107 0.02 . 1 . . . . . . . . 6434 1 32 . 1 1 14 14 VAL CA C 13 60.215 . . 1 . . . . . . . . 6434 1 33 . 1 1 14 14 VAL HA H 1 4.404 0.02 . 1 . . . . . . . . 6434 1 34 . 1 1 14 14 VAL CB C 13 32.422 . . 1 . . . . . . . . 6434 1 35 . 1 1 14 14 VAL HB H 1 2.054 0.02 . 1 . . . . . . . . 6434 1 36 . 1 1 14 14 VAL CG2 C 13 22.216 . . 1 . . . . . . . . 6434 1 37 . 1 1 14 14 VAL HG21 H 1 0.923 0.02 . 1 . . . . . . . . 6434 1 38 . 1 1 14 14 VAL HG22 H 1 0.923 0.02 . 1 . . . . . . . . 6434 1 39 . 1 1 14 14 VAL HG23 H 1 0.923 0.02 . 1 . . . . . . . . 6434 1 40 . 1 1 14 14 VAL CG1 C 13 19.915 . . 1 . . . . . . . . 6434 1 41 . 1 1 14 14 VAL HG11 H 1 0.923 0.02 . 1 . . . . . . . . 6434 1 42 . 1 1 14 14 VAL HG12 H 1 0.923 0.02 . 1 . . . . . . . . 6434 1 43 . 1 1 14 14 VAL HG13 H 1 0.923 0.02 . 1 . . . . . . . . 6434 1 44 . 1 1 14 14 VAL C C 13 177.621 . . 1 . . . . . . . . 6434 1 45 . 1 1 15 15 PRO CA C 13 63.100 . . 1 . . . . . . . . 6434 1 46 . 1 1 15 15 PRO HA H 1 4.404 0.02 . 1 . . . . . . . . 6434 1 47 . 1 1 15 15 PRO CB C 13 32.120 . . 1 . . . . . . . . 6434 1 48 . 1 1 15 15 PRO HB3 H 1 2.240 0.02 . 2 . . . . . . . . 6434 1 49 . 1 1 15 15 PRO HB2 H 1 1.850 0.02 . 2 . . . . . . . . 6434 1 50 . 1 1 15 15 PRO CG C 13 27.590 . . 1 . . . . . . . . 6434 1 51 . 1 1 15 15 PRO HG3 H 1 1.960 0.02 . 2 . . . . . . . . 6434 1 52 . 1 1 15 15 PRO HG2 H 1 1.870 0.02 . 2 . . . . . . . . 6434 1 53 . 1 1 15 15 PRO CD C 13 51.360 . . 1 . . . . . . . . 6434 1 54 . 1 1 15 15 PRO HD3 H 1 3.840 0.02 . 2 . . . . . . . . 6434 1 55 . 1 1 15 15 PRO HD2 H 1 3.604 0.02 . 2 . . . . . . . . 6434 1 56 . 1 1 16 16 ARG N N 15 122.126 0.4 . 1 . . . . . . . . 6434 1 57 . 1 1 16 16 ARG H H 1 8.560 0.02 . 1 . . . . . . . . 6434 1 58 . 1 1 16 16 ARG CA C 13 56.552 . . 1 . . . . . . . . 6434 1 59 . 1 1 16 16 ARG HA H 1 4.291 0.02 . 1 . . . . . . . . 6434 1 60 . 1 1 16 16 ARG CB C 13 30.737 . . 1 . . . . . . . . 6434 1 61 . 1 1 16 16 ARG HB3 H 1 1.793 0.02 . 2 . . . . . . . . 6434 1 62 . 1 1 16 16 ARG HB2 H 1 1.842 0.02 . 2 . . . . . . . . 6434 1 63 . 1 1 16 16 ARG CG C 13 26.939 . . 1 . . . . . . . . 6434 1 64 . 1 1 16 16 ARG HG3 H 1 1.720 0.02 . 2 . . . . . . . . 6434 1 65 . 1 1 16 16 ARG HG2 H 1 1.650 0.02 . 2 . . . . . . . . 6434 1 66 . 1 1 16 16 ARG CD C 13 44.843 . . 1 . . . . . . . . 6434 1 67 . 1 1 16 16 ARG HD3 H 1 3.182 0.02 . 1 . . . . . . . . 6434 1 68 . 1 1 16 16 ARG HD2 H 1 3.182 0.02 . 1 . . . . . . . . 6434 1 69 . 1 1 16 16 ARG C C 13 177.842 . . 1 . . . . . . . . 6434 1 70 . 1 1 17 17 GLY N N 15 109.604 0.4 . 1 . . . . . . . . 6434 1 71 . 1 1 17 17 GLY H H 1 8.465 0.02 . 1 . . . . . . . . 6434 1 72 . 1 1 17 17 GLY CA C 13 45.371 . . 1 . . . . . . . . 6434 1 73 . 1 1 17 17 GLY HA3 H 1 4.108 0.02 . 2 . . . . . . . . 6434 1 74 . 1 1 17 17 GLY HA2 H 1 3.886 0.02 . 2 . . . . . . . . 6434 1 75 . 1 1 17 17 GLY C C 13 177.740 . . 1 . . . . . . . . 6434 1 76 . 1 1 19 19 HIS N N 15 119.570 0.4 . 1 . . . . . . . . 6434 1 77 . 1 1 19 19 HIS H H 1 8.773 0.02 . 1 . . . . . . . . 6434 1 78 . 1 1 19 19 HIS CA C 13 56.349 . . 1 . . . . . . . . 6434 1 79 . 1 1 19 19 HIS HA H 1 5.120 0.02 . 1 . . . . . . . . 6434 1 80 . 1 1 19 19 HIS CB C 13 39.671 . . 1 . . . . . . . . 6434 1 81 . 1 1 19 19 HIS CE1 C 13 130.870 . . 1 . . . . . . . . 6434 1 82 . 1 1 19 19 HIS HE1 H 1 7.114 0.02 . 3 . . . . . . . . 6434 1 83 . 1 1 19 19 HIS C C 13 180.450 . . 1 . . . . . . . . 6434 1 84 . 1 1 20 20 MET N N 15 119.658 0.4 . 1 . . . . . . . . 6434 1 85 . 1 1 20 20 MET H H 1 9.053 0.02 . 1 . . . . . . . . 6434 1 86 . 1 1 20 20 MET CA C 13 54.696 . . 1 . . . . . . . . 6434 1 87 . 1 1 20 20 MET HA H 1 4.810 0.02 . 1 . . . . . . . . 6434 1 88 . 1 1 20 20 MET CB C 13 31.708 . . 1 . . . . . . . . 6434 1 89 . 1 1 20 20 MET HB3 H 1 1.800 0.02 . 1 . . . . . . . . 6434 1 90 . 1 1 20 20 MET HB2 H 1 1.800 0.02 . 1 . . . . . . . . 6434 1 91 . 1 1 20 20 MET C C 13 170.487 . . 1 . . . . . . . . 6434 1 92 . 1 1 21 21 LYS CA C 13 57.190 . . 1 . . . . . . . . 6434 1 93 . 1 1 21 21 LYS HA H 1 4.288 0.02 . 1 . . . . . . . . 6434 1 94 . 1 1 21 21 LYS CB C 13 31.320 . . 1 . . . . . . . . 6434 1 95 . 1 1 21 21 LYS HB3 H 1 1.805 0.02 . 1 . . . . . . . . 6434 1 96 . 1 1 21 21 LYS HB2 H 1 1.805 0.02 . 1 . . . . . . . . 6434 1 97 . 1 1 21 21 LYS CG C 13 26.440 . . 1 . . . . . . . . 6434 1 98 . 1 1 21 21 LYS HG3 H 1 1.661 0.02 . 1 . . . . . . . . 6434 1 99 . 1 1 21 21 LYS HG2 H 1 1.661 0.02 . 1 . . . . . . . . 6434 1 100 . 1 1 21 21 LYS CD C 13 28.352 . . 1 . . . . . . . . 6434 1 101 . 1 1 21 21 LYS HD3 H 1 1.626 0.02 . 1 . . . . . . . . 6434 1 102 . 1 1 21 21 LYS HD2 H 1 1.626 0.02 . 1 . . . . . . . . 6434 1 103 . 1 1 21 21 LYS CE C 13 42.542 . . 1 . . . . . . . . 6434 1 104 . 1 1 21 21 LYS HE3 H 1 2.952 0.02 . 2 . . . . . . . . 6434 1 105 . 1 1 21 21 LYS HE2 H 1 2.942 0.02 . 2 . . . . . . . . 6434 1 106 . 1 1 22 22 HIS N N 15 116.994 0.4 . 1 . . . . . . . . 6434 1 107 . 1 1 22 22 HIS H H 1 8.187 0.02 . 1 . . . . . . . . 6434 1 108 . 1 1 22 22 HIS CA C 13 58.453 . . 1 . . . . . . . . 6434 1 109 . 1 1 22 22 HIS HA H 1 3.835 0.02 . 1 . . . . . . . . 6434 1 110 . 1 1 22 22 HIS CB C 13 29.905 . . 1 . . . . . . . . 6434 1 111 . 1 1 22 22 HIS HB3 H 1 3.021 0.02 . 1 . . . . . . . . 6434 1 112 . 1 1 22 22 HIS HB2 H 1 3.021 0.02 . 1 . . . . . . . . 6434 1 113 . 1 1 22 22 HIS C C 13 176.735 . . 1 . . . . . . . . 6434 1 114 . 1 1 23 23 THR N N 15 115.458 0.4 . 1 . . . . . . . . 6434 1 115 . 1 1 23 23 THR H H 1 7.900 0.02 . 1 . . . . . . . . 6434 1 116 . 1 1 23 23 THR CA C 13 66.675 . . 1 . . . . . . . . 6434 1 117 . 1 1 23 23 THR HA H 1 3.870 0.02 . 1 . . . . . . . . 6434 1 118 . 1 1 23 23 THR CB C 13 68.818 . . 1 . . . . . . . . 6434 1 119 . 1 1 23 23 THR HB H 1 4.300 0.02 . 1 . . . . . . . . 6434 1 120 . 1 1 23 23 THR CG2 C 13 21.502 . . 1 . . . . . . . . 6434 1 121 . 1 1 23 23 THR HG21 H 1 1.231 0.02 . 1 . . . . . . . . 6434 1 122 . 1 1 23 23 THR HG22 H 1 1.231 0.02 . 1 . . . . . . . . 6434 1 123 . 1 1 23 23 THR HG23 H 1 1.231 0.02 . 1 . . . . . . . . 6434 1 124 . 1 1 23 23 THR HG1 H 1 4.848 0.02 . 1 . . . . . . . . 6434 1 125 . 1 1 23 23 THR C C 13 177.449 . . 1 . . . . . . . . 6434 1 126 . 1 1 24 24 GLU N N 15 121.730 0.4 . 1 . . . . . . . . 6434 1 127 . 1 1 24 24 GLU H H 1 7.868 0.02 . 1 . . . . . . . . 6434 1 128 . 1 1 24 24 GLU CA C 13 59.500 . . 1 . . . . . . . . 6434 1 129 . 1 1 24 24 GLU HA H 1 3.972 0.02 . 1 . . . . . . . . 6434 1 130 . 1 1 24 24 GLU CB C 13 29.870 . . 1 . . . . . . . . 6434 1 131 . 1 1 24 24 GLU CG C 13 36.600 . . 1 . . . . . . . . 6434 1 132 . 1 1 24 24 GLU C C 13 178.334 . . 1 . . . . . . . . 6434 1 133 . 1 1 25 25 LEU N N 15 120.472 0.4 . 1 . . . . . . . . 6434 1 134 . 1 1 25 25 LEU H H 1 8.146 0.02 . 1 . . . . . . . . 6434 1 135 . 1 1 25 25 LEU CA C 13 58.423 . . 1 . . . . . . . . 6434 1 136 . 1 1 25 25 LEU HA H 1 3.840 0.02 . 1 . . . . . . . . 6434 1 137 . 1 1 25 25 LEU CB C 13 42.271 . . 1 . . . . . . . . 6434 1 138 . 1 1 25 25 LEU HB3 H 1 1.811 0.02 . 2 . . . . . . . . 6434 1 139 . 1 1 25 25 LEU HB2 H 1 1.218 0.02 . 2 . . . . . . . . 6434 1 140 . 1 1 25 25 LEU CG C 13 26.818 . . 1 . . . . . . . . 6434 1 141 . 1 1 25 25 LEU HG H 1 1.777 0.02 . 1 . . . . . . . . 6434 1 142 . 1 1 25 25 LEU CD1 C 13 25.214 . . 1 . . . . . . . . 6434 1 143 . 1 1 25 25 LEU HD11 H 1 0.415 0.02 . 2 . . . . . . . . 6434 1 144 . 1 1 25 25 LEU HD12 H 1 0.415 0.02 . 2 . . . . . . . . 6434 1 145 . 1 1 25 25 LEU HD13 H 1 0.415 0.02 . 2 . . . . . . . . 6434 1 146 . 1 1 25 25 LEU CD2 C 13 24.610 . . 1 . . . . . . . . 6434 1 147 . 1 1 25 25 LEU HD21 H 1 0.591 0.02 . 2 . . . . . . . . 6434 1 148 . 1 1 25 25 LEU HD22 H 1 0.591 0.02 . 2 . . . . . . . . 6434 1 149 . 1 1 25 25 LEU HD23 H 1 0.591 0.02 . 2 . . . . . . . . 6434 1 150 . 1 1 25 25 LEU C C 13 175.432 . . 1 . . . . . . . . 6434 1 151 . 1 1 26 26 ARG N N 15 115.837 0.4 . 1 . . . . . . . . 6434 1 152 . 1 1 26 26 ARG H H 1 7.844 0.02 . 1 . . . . . . . . 6434 1 153 . 1 1 26 26 ARG CA C 13 60.588 . . 1 . . . . . . . . 6434 1 154 . 1 1 26 26 ARG HA H 1 4.230 0.02 . 1 . . . . . . . . 6434 1 155 . 1 1 26 26 ARG CB C 13 30.140 . . 1 . . . . . . . . 6434 1 156 . 1 1 26 26 ARG CG C 13 28.298 . . 1 . . . . . . . . 6434 1 157 . 1 1 26 26 ARG NE N 15 85.650 0.4 . 1 . . . . . . . . 6434 1 158 . 1 1 26 26 ARG HE H 1 7.590 0.02 . 1 . . . . . . . . 6434 1 159 . 1 1 26 26 ARG C C 13 176.987 . . 1 . . . . . . . . 6434 1 160 . 1 1 27 27 ALA N N 15 118.764 0.4 . 1 . . . . . . . . 6434 1 161 . 1 1 27 27 ALA H H 1 7.996 0.02 . 1 . . . . . . . . 6434 1 162 . 1 1 27 27 ALA CA C 13 55.282 . . 1 . . . . . . . . 6434 1 163 . 1 1 27 27 ALA HA H 1 4.010 0.02 . 1 . . . . . . . . 6434 1 164 . 1 1 27 27 ALA CB C 13 18.165 . . 1 . . . . . . . . 6434 1 165 . 1 1 27 27 ALA HB1 H 1 1.450 0.02 . 1 . . . . . . . . 6434 1 166 . 1 1 27 27 ALA HB2 H 1 1.450 0.02 . 1 . . . . . . . . 6434 1 167 . 1 1 27 27 ALA HB3 H 1 1.450 0.02 . 1 . . . . . . . . 6434 1 168 . 1 1 27 27 ALA C C 13 176.588 . . 1 . . . . . . . . 6434 1 169 . 1 1 28 28 ALA N N 15 118.876 0.4 . 1 . . . . . . . . 6434 1 170 . 1 1 28 28 ALA H H 1 7.709 0.02 . 1 . . . . . . . . 6434 1 171 . 1 1 28 28 ALA CA C 13 54.755 . . 1 . . . . . . . . 6434 1 172 . 1 1 28 28 ALA HA H 1 4.080 0.02 . 1 . . . . . . . . 6434 1 173 . 1 1 28 28 ALA CB C 13 17.743 . . 1 . . . . . . . . 6434 1 174 . 1 1 28 28 ALA HB1 H 1 1.316 0.02 . 1 . . . . . . . . 6434 1 175 . 1 1 28 28 ALA HB2 H 1 1.316 0.02 . 1 . . . . . . . . 6434 1 176 . 1 1 28 28 ALA HB3 H 1 1.316 0.02 . 1 . . . . . . . . 6434 1 177 . 1 1 28 28 ALA C C 13 175.284 . . 1 . . . . . . . . 6434 1 178 . 1 1 29 29 VAL N N 15 117.689 0.4 . 1 . . . . . . . . 6434 1 179 . 1 1 29 29 VAL H H 1 7.458 0.02 . 1 . . . . . . . . 6434 1 180 . 1 1 29 29 VAL CA C 13 66.460 . . 1 . . . . . . . . 6434 1 181 . 1 1 29 29 VAL HA H 1 3.590 0.02 . 1 . . . . . . . . 6434 1 182 . 1 1 29 29 VAL CB C 13 31.873 . . 1 . . . . . . . . 6434 1 183 . 1 1 29 29 VAL HB H 1 2.106 0.02 . 1 . . . . . . . . 6434 1 184 . 1 1 29 29 VAL CG2 C 13 22.351 . . 1 . . . . . . . . 6434 1 185 . 1 1 29 29 VAL HG21 H 1 1.068 0.02 . 2 . . . . . . . . 6434 1 186 . 1 1 29 29 VAL HG22 H 1 1.068 0.02 . 2 . . . . . . . . 6434 1 187 . 1 1 29 29 VAL HG23 H 1 1.068 0.02 . 2 . . . . . . . . 6434 1 188 . 1 1 29 29 VAL CG1 C 13 22.351 . . 1 . . . . . . . . 6434 1 189 . 1 1 29 29 VAL HG11 H 1 0.907 0.02 . 2 . . . . . . . . 6434 1 190 . 1 1 29 29 VAL HG12 H 1 0.907 0.02 . 2 . . . . . . . . 6434 1 191 . 1 1 29 29 VAL HG13 H 1 0.907 0.02 . 2 . . . . . . . . 6434 1 192 . 1 1 29 29 VAL C C 13 174.275 . . 1 . . . . . . . . 6434 1 193 . 1 1 30 30 LEU N N 15 120.246 0.4 . 1 . . . . . . . . 6434 1 194 . 1 1 30 30 LEU H H 1 8.573 0.02 . 1 . . . . . . . . 6434 1 195 . 1 1 30 30 LEU CA C 13 58.883 . . 1 . . . . . . . . 6434 1 196 . 1 1 30 30 LEU HA H 1 3.719 0.02 . 1 . . . . . . . . 6434 1 197 . 1 1 30 30 LEU CB C 13 41.638 . . 1 . . . . . . . . 6434 1 198 . 1 1 30 30 LEU HB3 H 1 1.750 0.02 . 2 . . . . . . . . 6434 1 199 . 1 1 30 30 LEU HB2 H 1 1.444 0.02 . 2 . . . . . . . . 6434 1 200 . 1 1 30 30 LEU CG C 13 27.585 . . 1 . . . . . . . . 6434 1 201 . 1 1 30 30 LEU HG H 1 1.542 0.02 . 1 . . . . . . . . 6434 1 202 . 1 1 30 30 LEU CD1 C 13 24.517 . . 1 . . . . . . . . 6434 1 203 . 1 1 30 30 LEU HD11 H 1 0.819 0.02 . 2 . . . . . . . . 6434 1 204 . 1 1 30 30 LEU HD12 H 1 0.819 0.02 . 2 . . . . . . . . 6434 1 205 . 1 1 30 30 LEU HD13 H 1 0.819 0.02 . 2 . . . . . . . . 6434 1 206 . 1 1 30 30 LEU CD2 C 13 24.517 . . 1 . . . . . . . . 6434 1 207 . 1 1 30 30 LEU HD21 H 1 0.708 0.02 . 2 . . . . . . . . 6434 1 208 . 1 1 30 30 LEU HD22 H 1 0.708 0.02 . 2 . . . . . . . . 6434 1 209 . 1 1 30 30 LEU HD23 H 1 0.708 0.02 . 2 . . . . . . . . 6434 1 210 . 1 1 30 30 LEU C C 13 177.621 . . 1 . . . . . . . . 6434 1 211 . 1 1 31 31 ASP N N 15 117.274 0.4 . 1 . . . . . . . . 6434 1 212 . 1 1 31 31 ASP H H 1 8.367 0.02 . 1 . . . . . . . . 6434 1 213 . 1 1 31 31 ASP CA C 13 57.391 . . 1 . . . . . . . . 6434 1 214 . 1 1 31 31 ASP HA H 1 4.232 0.02 . 1 . . . . . . . . 6434 1 215 . 1 1 31 31 ASP CB C 13 41.364 . . 1 . . . . . . . . 6434 1 216 . 1 1 31 31 ASP HB3 H 1 2.749 0.02 . 2 . . . . . . . . 6434 1 217 . 1 1 31 31 ASP HB2 H 1 2.505 0.02 . 2 . . . . . . . . 6434 1 218 . 1 1 31 31 ASP C C 13 176.071 . . 1 . . . . . . . . 6434 1 219 . 1 1 32 32 ALA N N 15 120.120 0.4 . 1 . . . . . . . . 6434 1 220 . 1 1 32 32 ALA H H 1 7.145 0.02 . 1 . . . . . . . . 6434 1 221 . 1 1 32 32 ALA CA C 13 54.861 . . 1 . . . . . . . . 6434 1 222 . 1 1 32 32 ALA HA H 1 4.192 0.02 . 1 . . . . . . . . 6434 1 223 . 1 1 32 32 ALA CB C 13 18.798 . . 1 . . . . . . . . 6434 1 224 . 1 1 32 32 ALA HB1 H 1 1.523 0.02 . 1 . . . . . . . . 6434 1 225 . 1 1 32 32 ALA HB2 H 1 1.523 0.02 . 1 . . . . . . . . 6434 1 226 . 1 1 32 32 ALA HB3 H 1 1.523 0.02 . 1 . . . . . . . . 6434 1 227 . 1 1 32 32 ALA C C 13 176.834 . . 1 . . . . . . . . 6434 1 228 . 1 1 33 33 LEU N N 15 118.458 0.4 . 1 . . . . . . . . 6434 1 229 . 1 1 33 33 LEU H H 1 8.370 0.02 . 1 . . . . . . . . 6434 1 230 . 1 1 33 33 LEU CA C 13 58.197 . . 1 . . . . . . . . 6434 1 231 . 1 1 33 33 LEU HA H 1 4.080 0.02 . 1 . . . . . . . . 6434 1 232 . 1 1 33 33 LEU CB C 13 42.411 . . 1 . . . . . . . . 6434 1 233 . 1 1 33 33 LEU HB3 H 1 1.817 0.02 . 2 . . . . . . . . 6434 1 234 . 1 1 33 33 LEU HB2 H 1 1.514 0.02 . 2 . . . . . . . . 6434 1 235 . 1 1 33 33 LEU HG H 1 1.010 0.02 . 1 . . . . . . . . 6434 1 236 . 1 1 33 33 LEU CD1 C 13 24.310 . . 1 . . . . . . . . 6434 1 237 . 1 1 33 33 LEU HD11 H 1 0.910 0.02 . 2 . . . . . . . . 6434 1 238 . 1 1 33 33 LEU HD12 H 1 0.910 0.02 . 2 . . . . . . . . 6434 1 239 . 1 1 33 33 LEU HD13 H 1 0.910 0.02 . 2 . . . . . . . . 6434 1 240 . 1 1 33 33 LEU HD21 H 1 0.711 0.02 . 2 . . . . . . . . 6434 1 241 . 1 1 33 33 LEU HD22 H 1 0.711 0.02 . 2 . . . . . . . . 6434 1 242 . 1 1 33 33 LEU HD23 H 1 0.711 0.02 . 2 . . . . . . . . 6434 1 243 . 1 1 33 33 LEU C C 13 173.980 . . 1 . . . . . . . . 6434 1 244 . 1 1 34 34 GLU N N 15 120.575 0.4 . 1 . . . . . . . . 6434 1 245 . 1 1 34 34 GLU H H 1 8.260 0.02 . 1 . . . . . . . . 6434 1 246 . 1 1 34 34 GLU CA C 13 59.106 . . 1 . . . . . . . . 6434 1 247 . 1 1 34 34 GLU HA H 1 3.952 0.02 . 1 . . . . . . . . 6434 1 248 . 1 1 34 34 GLU CB C 13 29.290 . . 1 . . . . . . . . 6434 1 249 . 1 1 34 34 GLU HB3 H 1 1.733 0.02 . 2 . . . . . . . . 6434 1 250 . 1 1 34 34 GLU HB2 H 1 1.924 0.02 . 2 . . . . . . . . 6434 1 251 . 1 1 34 34 GLU CG C 13 35.900 . . 1 . . . . . . . . 6434 1 252 . 1 1 34 34 GLU C C 13 176.957 . . 1 . . . . . . . . 6434 1 253 . 1 1 35 35 LYS N N 15 117.476 0.4 . 1 . . . . . . . . 6434 1 254 . 1 1 35 35 LYS H H 1 7.720 0.02 . 1 . . . . . . . . 6434 1 255 . 1 1 35 35 LYS CA C 13 57.992 . . 1 . . . . . . . . 6434 1 256 . 1 1 35 35 LYS HA H 1 4.117 0.02 . 1 . . . . . . . . 6434 1 257 . 1 1 35 35 LYS CB C 13 32.399 . . 1 . . . . . . . . 6434 1 258 . 1 1 35 35 LYS HB3 H 1 1.845 0.02 . 1 . . . . . . . . 6434 1 259 . 1 1 35 35 LYS HB2 H 1 1.845 0.02 . 1 . . . . . . . . 6434 1 260 . 1 1 35 35 LYS CG C 13 25.362 . . 1 . . . . . . . . 6434 1 261 . 1 1 35 35 LYS HG3 H 1 1.546 0.02 . 2 . . . . . . . . 6434 1 262 . 1 1 35 35 LYS HG2 H 1 1.455 0.02 . 2 . . . . . . . . 6434 1 263 . 1 1 35 35 LYS CD C 13 28.352 . . 1 . . . . . . . . 6434 1 264 . 1 1 35 35 LYS HD3 H 1 1.617 0.02 . 2 . . . . . . . . 6434 1 265 . 1 1 35 35 LYS HD2 H 1 1.634 0.02 . 2 . . . . . . . . 6434 1 266 . 1 1 35 35 LYS CE C 13 42.400 . . 1 . . . . . . . . 6434 1 267 . 1 1 35 35 LYS HE3 H 1 2.961 0.02 . 1 . . . . . . . . 6434 1 268 . 1 1 35 35 LYS HE2 H 1 2.961 0.02 . 1 . . . . . . . . 6434 1 269 . 1 1 35 35 LYS C C 13 176.342 . . 1 . . . . . . . . 6434 1 270 . 1 1 36 36 HIS N N 15 117.077 0.4 . 1 . . . . . . . . 6434 1 271 . 1 1 36 36 HIS H H 1 7.491 0.02 . 1 . . . . . . . . 6434 1 272 . 1 1 36 36 HIS CA C 13 56.864 . . 1 . . . . . . . . 6434 1 273 . 1 1 36 36 HIS HA H 1 4.582 0.02 . 1 . . . . . . . . 6434 1 274 . 1 1 36 36 HIS CB C 13 30.750 . . 1 . . . . . . . . 6434 1 275 . 1 1 36 36 HIS HB3 H 1 3.410 0.02 . 2 . . . . . . . . 6434 1 276 . 1 1 36 36 HIS HB2 H 1 2.972 0.02 . 2 . . . . . . . . 6434 1 277 . 1 1 36 36 HIS CE1 C 13 138.780 . . 1 . . . . . . . . 6434 1 278 . 1 1 36 36 HIS HE1 H 1 7.360 0.02 . 3 . . . . . . . . 6434 1 279 . 1 1 36 36 HIS C C 13 177.252 . . 1 . . . . . . . . 6434 1 280 . 1 1 37 37 ASP N N 15 119.035 0.4 . 1 . . . . . . . . 6434 1 281 . 1 1 37 37 ASP H H 1 8.145 0.02 . 1 . . . . . . . . 6434 1 282 . 1 1 37 37 ASP CA C 13 54.861 . . 1 . . . . . . . . 6434 1 283 . 1 1 37 37 ASP HA H 1 4.690 0.02 . 1 . . . . . . . . 6434 1 284 . 1 1 37 37 ASP CB C 13 40.942 . . 1 . . . . . . . . 6434 1 285 . 1 1 37 37 ASP HB3 H 1 2.992 0.02 . 2 . . . . . . . . 6434 1 286 . 1 1 37 37 ASP HB2 H 1 2.541 0.02 . 2 . . . . . . . . 6434 1 287 . 1 1 37 37 ASP C C 13 180.155 . . 1 . . . . . . . . 6434 1 288 . 1 1 38 38 THR N N 15 112.606 0.4 . 1 . . . . . . . . 6434 1 289 . 1 1 38 38 THR H H 1 8.584 0.02 . 1 . . . . . . . . 6434 1 290 . 1 1 38 38 THR CA C 13 63.329 . . 1 . . . . . . . . 6434 1 291 . 1 1 38 38 THR HA H 1 4.327 0.02 . 1 . . . . . . . . 6434 1 292 . 1 1 38 38 THR CB C 13 70.288 . . 1 . . . . . . . . 6434 1 293 . 1 1 38 38 THR HB H 1 4.447 0.02 . 1 . . . . . . . . 6434 1 294 . 1 1 38 38 THR CG2 C 13 22.096 . . 1 . . . . . . . . 6434 1 295 . 1 1 38 38 THR HG21 H 1 1.394 0.02 . 1 . . . . . . . . 6434 1 296 . 1 1 38 38 THR HG22 H 1 1.394 0.02 . 1 . . . . . . . . 6434 1 297 . 1 1 38 38 THR HG23 H 1 1.394 0.02 . 1 . . . . . . . . 6434 1 298 . 1 1 38 38 THR C C 13 178.999 . . 1 . . . . . . . . 6434 1 299 . 1 1 39 39 GLY N N 15 110.208 0.4 . 1 . . . . . . . . 6434 1 300 . 1 1 39 39 GLY H H 1 8.835 0.02 . 1 . . . . . . . . 6434 1 301 . 1 1 39 39 GLY CA C 13 46.109 . . 1 . . . . . . . . 6434 1 302 . 1 1 39 39 GLY HA3 H 1 4.030 0.02 . 1 . . . . . . . . 6434 1 303 . 1 1 39 39 GLY HA2 H 1 4.030 0.02 . 1 . . . . . . . . 6434 1 304 . 1 1 39 39 GLY C C 13 178.876 . . 1 . . . . . . . . 6434 1 305 . 1 1 40 40 ALA N N 15 122.049 0.4 . 1 . . . . . . . . 6434 1 306 . 1 1 40 40 ALA H H 1 7.940 0.02 . 1 . . . . . . . . 6434 1 307 . 1 1 40 40 ALA CA C 13 51.381 . . 1 . . . . . . . . 6434 1 308 . 1 1 40 40 ALA HA H 1 4.670 0.02 . 1 . . . . . . . . 6434 1 309 . 1 1 40 40 ALA CB C 13 20.907 . . 1 . . . . . . . . 6434 1 310 . 1 1 40 40 ALA HB1 H 1 1.063 0.02 . 1 . . . . . . . . 6434 1 311 . 1 1 40 40 ALA HB2 H 1 1.063 0.02 . 1 . . . . . . . . 6434 1 312 . 1 1 40 40 ALA HB3 H 1 1.063 0.02 . 1 . . . . . . . . 6434 1 313 . 1 1 40 40 ALA C C 13 180.967 . . 1 . . . . . . . . 6434 1 314 . 1 1 41 41 THR N N 15 116.361 0.4 . 1 . . . . . . . . 6434 1 315 . 1 1 41 41 THR H H 1 8.078 0.02 . 1 . . . . . . . . 6434 1 316 . 1 1 41 41 THR CA C 13 62.526 . . 1 . . . . . . . . 6434 1 317 . 1 1 41 41 THR HA H 1 4.159 0.02 . 1 . . . . . . . . 6434 1 318 . 1 1 41 41 THR CB C 13 69.218 . . 1 . . . . . . . . 6434 1 319 . 1 1 41 41 THR HB H 1 4.102 0.02 . 1 . . . . . . . . 6434 1 320 . 1 1 41 41 THR CG2 C 13 22.128 . . 1 . . . . . . . . 6434 1 321 . 1 1 41 41 THR HG21 H 1 0.853 0.02 . 1 . . . . . . . . 6434 1 322 . 1 1 41 41 THR HG22 H 1 0.853 0.02 . 1 . . . . . . . . 6434 1 323 . 1 1 41 41 THR HG23 H 1 0.853 0.02 . 1 . . . . . . . . 6434 1 324 . 1 1 41 41 THR C C 13 180.844 . . 1 . . . . . . . . 6434 1 325 . 1 1 42 42 PHE N N 15 124.638 0.4 . 1 . . . . . . . . 6434 1 326 . 1 1 42 42 PHE H H 1 8.561 0.02 . 1 . . . . . . . . 6434 1 327 . 1 1 42 42 PHE CA C 13 57.762 . . 1 . . . . . . . . 6434 1 328 . 1 1 42 42 PHE HA H 1 5.498 0.02 . 1 . . . . . . . . 6434 1 329 . 1 1 42 42 PHE CB C 13 41.481 . . 1 . . . . . . . . 6434 1 330 . 1 1 42 42 PHE HB3 H 1 2.950 0.02 . 2 . . . . . . . . 6434 1 331 . 1 1 42 42 PHE HB2 H 1 2.830 0.02 . 2 . . . . . . . . 6434 1 332 . 1 1 42 42 PHE CD1 C 13 130.877 . . 3 . . . . . . . . 6434 1 333 . 1 1 42 42 PHE HD1 H 1 7.240 0.02 . 3 . . . . . . . . 6434 1 334 . 1 1 42 42 PHE CE1 C 13 129.390 . . 3 . . . . . . . . 6434 1 335 . 1 1 42 42 PHE HE1 H 1 7.290 0.02 . 3 . . . . . . . . 6434 1 336 . 1 1 42 42 PHE C C 13 181.877 . . 1 . . . . . . . . 6434 1 337 . 1 1 43 43 PHE N N 15 121.323 0.4 . 1 . . . . . . . . 6434 1 338 . 1 1 43 43 PHE H H 1 9.478 0.02 . 1 . . . . . . . . 6434 1 339 . 1 1 43 43 PHE CA C 13 57.478 . . 1 . . . . . . . . 6434 1 340 . 1 1 43 43 PHE HA H 1 5.506 0.02 . 1 . . . . . . . . 6434 1 341 . 1 1 43 43 PHE CB C 13 42.712 . . 1 . . . . . . . . 6434 1 342 . 1 1 43 43 PHE HB3 H 1 3.334 0.02 . 2 . . . . . . . . 6434 1 343 . 1 1 43 43 PHE HB2 H 1 2.689 0.02 . 2 . . . . . . . . 6434 1 344 . 1 1 43 43 PHE CD1 C 13 129.970 . . 3 . . . . . . . . 6434 1 345 . 1 1 43 43 PHE HD1 H 1 7.070 0.02 . 3 . . . . . . . . 6434 1 346 . 1 1 43 43 PHE CE1 C 13 131.330 . . 3 . . . . . . . . 6434 1 347 . 1 1 43 43 PHE HE1 H 1 7.080 0.02 . 3 . . . . . . . . 6434 1 348 . 1 1 43 43 PHE C C 13 178.949 . . 1 . . . . . . . . 6434 1 349 . 1 1 44 44 ASP N N 15 123.060 0.4 . 1 . . . . . . . . 6434 1 350 . 1 1 44 44 ASP H H 1 8.610 0.02 . 1 . . . . . . . . 6434 1 351 . 1 1 44 44 ASP CA C 13 52.840 . . 1 . . . . . . . . 6434 1 352 . 1 1 44 44 ASP HA H 1 5.058 0.02 . 1 . . . . . . . . 6434 1 353 . 1 1 44 44 ASP CB C 13 40.670 . . 1 . . . . . . . . 6434 1 354 . 1 1 44 44 ASP HB3 H 1 2.863 0.02 . 2 . . . . . . . . 6434 1 355 . 1 1 44 44 ASP HB2 H 1 2.581 0.02 . 2 . . . . . . . . 6434 1 356 . 1 1 44 44 ASP C C 13 181.213 . . 1 . . . . . . . . 6434 1 357 . 1 1 45 45 GLY N N 15 111.993 0.4 . 1 . . . . . . . . 6434 1 358 . 1 1 45 45 GLY H H 1 8.059 0.02 . 1 . . . . . . . . 6434 1 359 . 1 1 45 45 GLY CA C 13 43.671 . . 1 . . . . . . . . 6434 1 360 . 1 1 45 45 GLY HA3 H 1 4.205 0.02 . 2 . . . . . . . . 6434 1 361 . 1 1 45 45 GLY HA2 H 1 3.590 0.02 . 2 . . . . . . . . 6434 1 362 . 1 1 45 45 GLY C C 13 178.654 . . 1 . . . . . . . . 6434 1 363 . 1 1 46 46 ARG N N 15 121.256 0.4 . 1 . . . . . . . . 6434 1 364 . 1 1 46 46 ARG H H 1 8.001 0.02 . 1 . . . . . . . . 6434 1 365 . 1 1 46 46 ARG CA C 13 54.387 . . 1 . . . . . . . . 6434 1 366 . 1 1 46 46 ARG HA H 1 3.866 0.02 . 1 . . . . . . . . 6434 1 367 . 1 1 46 46 ARG CB C 13 30.070 . . 1 . . . . . . . . 6434 1 368 . 1 1 46 46 ARG HB3 H 1 1.187 0.02 . 2 . . . . . . . . 6434 1 369 . 1 1 46 46 ARG HB2 H 1 0.287 0.02 . 2 . . . . . . . . 6434 1 370 . 1 1 46 46 ARG HG3 H 1 0.940 0.02 . 1 . . . . . . . . 6434 1 371 . 1 1 46 46 ARG HG2 H 1 0.940 0.02 . 1 . . . . . . . . 6434 1 372 . 1 1 46 46 ARG CD C 13 42.840 . . 1 . . . . . . . . 6434 1 373 . 1 1 46 46 ARG HD3 H 1 2.850 0.02 . 2 . . . . . . . . 6434 1 374 . 1 1 46 46 ARG HD2 H 1 2.420 0.02 . 2 . . . . . . . . 6434 1 375 . 1 1 46 46 ARG NE N 15 88.230 0.4 . 1 . . . . . . . . 6434 1 376 . 1 1 46 46 ARG HE H 1 9.230 0.02 . 1 . . . . . . . . 6434 1 377 . 1 1 46 46 ARG C C 13 171.545 . . 1 . . . . . . . . 6434 1 378 . 1 1 47 47 PRO CA C 13 61.940 . . 1 . . . . . . . . 6434 1 379 . 1 1 47 47 PRO HA H 1 3.888 0.02 . 1 . . . . . . . . 6434 1 380 . 1 1 47 47 PRO CB C 13 31.400 . . 1 . . . . . . . . 6434 1 381 . 1 1 47 47 PRO HB3 H 1 1.124 0.02 . 2 . . . . . . . . 6434 1 382 . 1 1 47 47 PRO HB2 H 1 0.350 0.02 . 2 . . . . . . . . 6434 1 383 . 1 1 47 47 PRO CG C 13 26.240 . . 1 . . . . . . . . 6434 1 384 . 1 1 47 47 PRO HG3 H 1 0.240 0.02 . 2 . . . . . . . . 6434 1 385 . 1 1 47 47 PRO HG2 H 1 0.120 0.02 . 2 . . . . . . . . 6434 1 386 . 1 1 47 47 PRO CD C 13 50.900 . . 1 . . . . . . . . 6434 1 387 . 1 1 47 47 PRO HD3 H 1 3.410 0.02 . 2 . . . . . . . . 6434 1 388 . 1 1 47 47 PRO HD2 H 1 2.390 0.02 . 2 . . . . . . . . 6434 1 389 . 1 1 48 48 ALA N N 15 120.698 0.4 . 1 . . . . . . . . 6434 1 390 . 1 1 48 48 ALA H H 1 8.151 0.02 . 1 . . . . . . . . 6434 1 391 . 1 1 48 48 ALA CA C 13 52.751 . . 1 . . . . . . . . 6434 1 392 . 1 1 48 48 ALA HA H 1 4.044 0.02 . 1 . . . . . . . . 6434 1 393 . 1 1 48 48 ALA CB C 13 19.877 . . 1 . . . . . . . . 6434 1 394 . 1 1 48 48 ALA HB1 H 1 1.280 0.02 . 1 . . . . . . . . 6434 1 395 . 1 1 48 48 ALA HB2 H 1 1.280 0.02 . 1 . . . . . . . . 6434 1 396 . 1 1 48 48 ALA HB3 H 1 1.280 0.02 . 1 . . . . . . . . 6434 1 397 . 1 1 48 48 ALA C C 13 180.159 . . 1 . . . . . . . . 6434 1 398 . 1 1 49 49 VAL N N 15 114.378 0.4 . 1 . . . . . . . . 6434 1 399 . 1 1 49 49 VAL H H 1 6.919 0.02 . 1 . . . . . . . . 6434 1 400 . 1 1 49 49 VAL CA C 13 60.150 . . 1 . . . . . . . . 6434 1 401 . 1 1 49 49 VAL HA H 1 4.102 0.02 . 1 . . . . . . . . 6434 1 402 . 1 1 49 49 VAL CB C 13 34.842 . . 1 . . . . . . . . 6434 1 403 . 1 1 49 49 VAL HB H 1 1.835 0.02 . 1 . . . . . . . . 6434 1 404 . 1 1 49 49 VAL CG2 C 13 19.915 . . 1 . . . . . . . . 6434 1 405 . 1 1 49 49 VAL HG21 H 1 0.750 0.02 . 2 . . . . . . . . 6434 1 406 . 1 1 49 49 VAL HG22 H 1 0.750 0.02 . 2 . . . . . . . . 6434 1 407 . 1 1 49 49 VAL HG23 H 1 0.750 0.02 . 2 . . . . . . . . 6434 1 408 . 1 1 49 49 VAL HG11 H 1 0.910 0.02 . 2 . . . . . . . . 6434 1 409 . 1 1 49 49 VAL HG12 H 1 0.910 0.02 . 2 . . . . . . . . 6434 1 410 . 1 1 49 49 VAL HG13 H 1 0.910 0.02 . 2 . . . . . . . . 6434 1 411 . 1 1 49 49 VAL C C 13 177.424 . . 1 . . . . . . . . 6434 1 412 . 1 1 50 50 PHE N N 15 122.028 0.4 . 1 . . . . . . . . 6434 1 413 . 1 1 50 50 PHE H H 1 8.443 0.02 . 1 . . . . . . . . 6434 1 414 . 1 1 50 50 PHE CA C 13 57.268 . . 1 . . . . . . . . 6434 1 415 . 1 1 50 50 PHE HA H 1 4.344 0.02 . 1 . . . . . . . . 6434 1 416 . 1 1 50 50 PHE CB C 13 42.403 . . 1 . . . . . . . . 6434 1 417 . 1 1 50 50 PHE HB3 H 1 2.530 0.02 . 2 . . . . . . . . 6434 1 418 . 1 1 50 50 PHE HB2 H 1 2.455 0.02 . 2 . . . . . . . . 6434 1 419 . 1 1 50 50 PHE CD1 C 13 129.069 . . 3 . . . . . . . . 6434 1 420 . 1 1 50 50 PHE HD1 H 1 6.530 0.02 . 3 . . . . . . . . 6434 1 421 . 1 1 50 50 PHE CE1 C 13 127.710 . . 3 . . . . . . . . 6434 1 422 . 1 1 50 50 PHE HE1 H 1 5.550 0.02 . 3 . . . . . . . . 6434 1 423 . 1 1 50 50 PHE C C 13 181.871 . . 1 . . . . . . . . 6434 1 424 . 1 1 51 51 ASP N N 15 123.843 0.4 . 1 . . . . . . . . 6434 1 425 . 1 1 51 51 ASP H H 1 8.986 0.02 . 1 . . . . . . . . 6434 1 426 . 1 1 51 51 ASP CA C 13 53.041 . . 1 . . . . . . . . 6434 1 427 . 1 1 51 51 ASP HA H 1 4.678 0.02 . 1 . . . . . . . . 6434 1 428 . 1 1 51 51 ASP CB C 13 43.677 . . 1 . . . . . . . . 6434 1 429 . 1 1 51 51 ASP HB3 H 1 2.449 0.02 . 2 . . . . . . . . 6434 1 430 . 1 1 51 51 ASP HB2 H 1 2.602 0.02 . 2 . . . . . . . . 6434 1 431 . 1 1 51 51 ASP C C 13 179.360 . . 1 . . . . . . . . 6434 1 432 . 1 1 52 52 GLU N N 15 123.626 0.4 . 1 . . . . . . . . 6434 1 433 . 1 1 52 52 GLU H H 1 8.765 0.02 . 1 . . . . . . . . 6434 1 434 . 1 1 52 52 GLU CA C 13 59.588 . . 1 . . . . . . . . 6434 1 435 . 1 1 52 52 GLU HA H 1 3.909 0.02 . 1 . . . . . . . . 6434 1 436 . 1 1 52 52 GLU CB C 13 29.432 . . 1 . . . . . . . . 6434 1 437 . 1 1 52 52 GLU HB3 H 1 2.156 0.02 . 2 . . . . . . . . 6434 1 438 . 1 1 52 52 GLU HB2 H 1 2.080 0.02 . 2 . . . . . . . . 6434 1 439 . 1 1 52 52 GLU CG C 13 36.317 . . 1 . . . . . . . . 6434 1 440 . 1 1 52 52 GLU HG3 H 1 2.230 0.02 . 1 . . . . . . . . 6434 1 441 . 1 1 52 52 GLU HG2 H 1 2.230 0.02 . 1 . . . . . . . . 6434 1 442 . 1 1 52 52 GLU C C 13 178.271 . . 1 . . . . . . . . 6434 1 443 . 1 1 53 53 ALA N N 15 120.042 0.4 . 1 . . . . . . . . 6434 1 444 . 1 1 53 53 ALA H H 1 8.530 0.02 . 1 . . . . . . . . 6434 1 445 . 1 1 53 53 ALA CA C 13 53.231 . . 1 . . . . . . . . 6434 1 446 . 1 1 53 53 ALA HA H 1 4.297 0.02 . 1 . . . . . . . . 6434 1 447 . 1 1 53 53 ALA CB C 13 18.644 . . 1 . . . . . . . . 6434 1 448 . 1 1 53 53 ALA HB1 H 1 1.366 0.02 . 1 . . . . . . . . 6434 1 449 . 1 1 53 53 ALA HB2 H 1 1.366 0.02 . 1 . . . . . . . . 6434 1 450 . 1 1 53 53 ALA HB3 H 1 1.366 0.02 . 1 . . . . . . . . 6434 1 451 . 1 1 53 53 ALA C C 13 177.196 . . 1 . . . . . . . . 6434 1 452 . 1 1 54 54 ASP N N 15 116.706 0.4 . 1 . . . . . . . . 6434 1 453 . 1 1 54 54 ASP H H 1 7.869 0.02 . 1 . . . . . . . . 6434 1 454 . 1 1 54 54 ASP CA C 13 55.521 . . 1 . . . . . . . . 6434 1 455 . 1 1 54 54 ASP HA H 1 4.458 0.02 . 1 . . . . . . . . 6434 1 456 . 1 1 54 54 ASP CB C 13 41.726 . . 1 . . . . . . . . 6434 1 457 . 1 1 54 54 ASP HB3 H 1 2.618 0.02 . 2 . . . . . . . . 6434 1 458 . 1 1 54 54 ASP HB2 H 1 2.529 0.02 . 2 . . . . . . . . 6434 1 459 . 1 1 54 54 ASP C C 13 176.735 . . 1 . . . . . . . . 6434 1 460 . 1 1 55 55 PHE N N 15 113.651 0.4 . 1 . . . . . . . . 6434 1 461 . 1 1 55 55 PHE H H 1 6.695 0.02 . 1 . . . . . . . . 6434 1 462 . 1 1 55 55 PHE CA C 13 55.238 . . 1 . . . . . . . . 6434 1 463 . 1 1 55 55 PHE HA H 1 4.680 0.02 . 1 . . . . . . . . 6434 1 464 . 1 1 55 55 PHE CB C 13 38.769 . . 1 . . . . . . . . 6434 1 465 . 1 1 55 55 PHE HB3 H 1 3.021 0.02 . 2 . . . . . . . . 6434 1 466 . 1 1 55 55 PHE HB2 H 1 2.931 0.02 . 2 . . . . . . . . 6434 1 467 . 1 1 55 55 PHE CD1 C 13 129.070 . . 3 . . . . . . . . 6434 1 468 . 1 1 55 55 PHE HD1 H 1 7.110 0.02 . 3 . . . . . . . . 6434 1 469 . 1 1 55 55 PHE CE1 C 13 129.069 . . 3 . . . . . . . . 6434 1 470 . 1 1 55 55 PHE HE1 H 1 6.680 0.02 . 3 . . . . . . . . 6434 1 471 . 1 1 55 55 PHE C C 13 179.520 . . 1 . . . . . . . . 6434 1 472 . 1 1 56 56 PRO CA C 13 62.616 . . 1 . . . . . . . . 6434 1 473 . 1 1 56 56 PRO CB C 13 34.668 . . 1 . . . . . . . . 6434 1 474 . 1 1 57 57 ALA N N 15 125.898 0.4 . 1 . . . . . . . . 6434 1 475 . 1 1 57 57 ALA H H 1 8.595 0.02 . 1 . . . . . . . . 6434 1 476 . 1 1 57 57 ALA CA C 13 49.834 . . 1 . . . . . . . . 6434 1 477 . 1 1 57 57 ALA HA H 1 5.614 0.02 . 1 . . . . . . . . 6434 1 478 . 1 1 57 57 ALA CB C 13 23.183 . . 1 . . . . . . . . 6434 1 479 . 1 1 57 57 ALA HB1 H 1 1.346 0.02 . 1 . . . . . . . . 6434 1 480 . 1 1 57 57 ALA HB2 H 1 1.346 0.02 . 1 . . . . . . . . 6434 1 481 . 1 1 57 57 ALA HB3 H 1 1.346 0.02 . 1 . . . . . . . . 6434 1 482 . 1 1 57 57 ALA C C 13 180.527 . . 1 . . . . . . . . 6434 1 483 . 1 1 58 58 VAL N N 15 120.548 0.4 . 1 . . . . . . . . 6434 1 484 . 1 1 58 58 VAL H H 1 8.926 0.02 . 1 . . . . . . . . 6434 1 485 . 1 1 58 58 VAL CA C 13 60.511 . . 1 . . . . . . . . 6434 1 486 . 1 1 58 58 VAL HA H 1 5.233 0.02 . 1 . . . . . . . . 6434 1 487 . 1 1 58 58 VAL CB C 13 34.316 . . 1 . . . . . . . . 6434 1 488 . 1 1 58 58 VAL HB H 1 1.924 0.02 . 1 . . . . . . . . 6434 1 489 . 1 1 58 58 VAL CG2 C 13 22.378 . . 1 . . . . . . . . 6434 1 490 . 1 1 58 58 VAL HG21 H 1 0.996 0.02 . 2 . . . . . . . . 6434 1 491 . 1 1 58 58 VAL HG22 H 1 0.996 0.02 . 2 . . . . . . . . 6434 1 492 . 1 1 58 58 VAL HG23 H 1 0.996 0.02 . 2 . . . . . . . . 6434 1 493 . 1 1 58 58 VAL CG1 C 13 21.842 . . 1 . . . . . . . . 6434 1 494 . 1 1 58 58 VAL HG11 H 1 0.823 0.02 . 2 . . . . . . . . 6434 1 495 . 1 1 58 58 VAL HG12 H 1 0.823 0.02 . 2 . . . . . . . . 6434 1 496 . 1 1 58 58 VAL HG13 H 1 0.823 0.02 . 2 . . . . . . . . 6434 1 497 . 1 1 58 58 VAL C C 13 179.337 . . 1 . . . . . . . . 6434 1 498 . 1 1 59 59 ALA N N 15 129.501 0.4 . 1 . . . . . . . . 6434 1 499 . 1 1 59 59 ALA H H 1 10.118 0.02 . 1 . . . . . . . . 6434 1 500 . 1 1 59 59 ALA CA C 13 49.793 . . 1 . . . . . . . . 6434 1 501 . 1 1 59 59 ALA HA H 1 5.828 0.02 . 1 . . . . . . . . 6434 1 502 . 1 1 59 59 ALA CB C 13 22.901 . . 1 . . . . . . . . 6434 1 503 . 1 1 59 59 ALA HB1 H 1 1.715 0.02 . 1 . . . . . . . . 6434 1 504 . 1 1 59 59 ALA HB2 H 1 1.715 0.02 . 1 . . . . . . . . 6434 1 505 . 1 1 59 59 ALA HB3 H 1 1.715 0.02 . 1 . . . . . . . . 6434 1 506 . 1 1 59 59 ALA C C 13 180.447 . . 1 . . . . . . . . 6434 1 507 . 1 1 60 60 VAL N N 15 120.498 0.4 . 1 . . . . . . . . 6434 1 508 . 1 1 60 60 VAL H H 1 8.362 0.02 . 1 . . . . . . . . 6434 1 509 . 1 1 60 60 VAL CA C 13 60.465 . . 1 . . . . . . . . 6434 1 510 . 1 1 60 60 VAL HA H 1 5.380 0.02 . 1 . . . . . . . . 6434 1 511 . 1 1 60 60 VAL CB C 13 34.269 . . 1 . . . . . . . . 6434 1 512 . 1 1 60 60 VAL HB H 1 2.020 0.02 . 1 . . . . . . . . 6434 1 513 . 1 1 60 60 VAL CG2 C 13 27.998 . . 1 . . . . . . . . 6434 1 514 . 1 1 60 60 VAL HG21 H 1 0.990 0.02 . 2 . . . . . . . . 6434 1 515 . 1 1 60 60 VAL HG22 H 1 0.990 0.02 . 2 . . . . . . . . 6434 1 516 . 1 1 60 60 VAL HG23 H 1 0.990 0.02 . 2 . . . . . . . . 6434 1 517 . 1 1 60 60 VAL CG1 C 13 21.833 . . 1 . . . . . . . . 6434 1 518 . 1 1 60 60 VAL HG11 H 1 0.912 0.02 . 2 . . . . . . . . 6434 1 519 . 1 1 60 60 VAL HG12 H 1 0.912 0.02 . 2 . . . . . . . . 6434 1 520 . 1 1 60 60 VAL HG13 H 1 0.912 0.02 . 2 . . . . . . . . 6434 1 521 . 1 1 60 60 VAL C C 13 179.264 . . 1 . . . . . . . . 6434 1 522 . 1 1 61 61 TYR N N 15 119.807 0.4 . 1 . . . . . . . . 6434 1 523 . 1 1 61 61 TYR H H 1 8.449 0.02 . 1 . . . . . . . . 6434 1 524 . 1 1 61 61 TYR CA C 13 56.624 . . 1 . . . . . . . . 6434 1 525 . 1 1 61 61 TYR HA H 1 4.800 0.02 . 1 . . . . . . . . 6434 1 526 . 1 1 61 61 TYR CB C 13 38.958 . . 1 . . . . . . . . 6434 1 527 . 1 1 61 61 TYR HB3 H 1 3.280 0.02 . 2 . . . . . . . . 6434 1 528 . 1 1 61 61 TYR HB2 H 1 3.015 0.02 . 2 . . . . . . . . 6434 1 529 . 1 1 61 61 TYR CD1 C 13 129.069 . . 3 . . . . . . . . 6434 1 530 . 1 1 61 61 TYR HD1 H 1 6.520 0.02 . 3 . . . . . . . . 6434 1 531 . 1 1 61 61 TYR CE1 C 13 115.507 . . 3 . . . . . . . . 6434 1 532 . 1 1 61 61 TYR HE1 H 1 6.330 0.02 . 3 . . . . . . . . 6434 1 533 . 1 1 61 61 TYR C C 13 179.741 . . 1 . . . . . . . . 6434 1 534 . 1 1 62 62 LEU N N 15 120.076 0.4 . 1 . . . . . . . . 6434 1 535 . 1 1 62 62 LEU H H 1 9.053 0.02 . 1 . . . . . . . . 6434 1 536 . 1 1 62 62 LEU CA C 13 53.904 . . 1 . . . . . . . . 6434 1 537 . 1 1 62 62 LEU HA H 1 5.972 0.02 . 1 . . . . . . . . 6434 1 538 . 1 1 62 62 LEU CB C 13 45.055 . . 1 . . . . . . . . 6434 1 539 . 1 1 62 62 LEU HB3 H 1 1.479 0.02 . 2 . . . . . . . . 6434 1 540 . 1 1 62 62 LEU HB2 H 1 1.335 0.02 . 2 . . . . . . . . 6434 1 541 . 1 1 62 62 LEU CG C 13 28.352 . . 1 . . . . . . . . 6434 1 542 . 1 1 62 62 LEU HG H 1 1.532 0.02 . 1 . . . . . . . . 6434 1 543 . 1 1 62 62 LEU CD1 C 13 25.668 . . 1 . . . . . . . . 6434 1 544 . 1 1 62 62 LEU HD11 H 1 0.592 0.02 . 2 . . . . . . . . 6434 1 545 . 1 1 62 62 LEU HD12 H 1 0.592 0.02 . 2 . . . . . . . . 6434 1 546 . 1 1 62 62 LEU HD13 H 1 0.592 0.02 . 2 . . . . . . . . 6434 1 547 . 1 1 62 62 LEU CD2 C 13 26.051 . . 1 . . . . . . . . 6434 1 548 . 1 1 62 62 LEU HD21 H 1 0.715 0.02 . 2 . . . . . . . . 6434 1 549 . 1 1 62 62 LEU HD22 H 1 0.715 0.02 . 2 . . . . . . . . 6434 1 550 . 1 1 62 62 LEU HD23 H 1 0.715 0.02 . 2 . . . . . . . . 6434 1 551 . 1 1 62 62 LEU C C 13 170.801 . . 1 . . . . . . . . 6434 1 552 . 1 1 63 63 THR N N 15 112.880 0.4 . 1 . . . . . . . . 6434 1 553 . 1 1 63 63 THR H H 1 9.406 0.02 . 1 . . . . . . . . 6434 1 554 . 1 1 63 63 THR CA C 13 60.518 . . 1 . . . . . . . . 6434 1 555 . 1 1 63 63 THR HA H 1 4.822 0.02 . 1 . . . . . . . . 6434 1 556 . 1 1 63 63 THR CB C 13 71.627 . . 1 . . . . . . . . 6434 1 557 . 1 1 63 63 THR HB H 1 4.529 0.02 . 1 . . . . . . . . 6434 1 558 . 1 1 63 63 THR CG2 C 13 21.268 . . 1 . . . . . . . . 6434 1 559 . 1 1 63 63 THR HG21 H 1 1.256 0.02 . 1 . . . . . . . . 6434 1 560 . 1 1 63 63 THR HG22 H 1 1.256 0.02 . 1 . . . . . . . . 6434 1 561 . 1 1 63 63 THR HG23 H 1 1.256 0.02 . 1 . . . . . . . . 6434 1 562 . 1 1 63 63 THR C C 13 177.325 . . 1 . . . . . . . . 6434 1 563 . 1 1 64 64 GLY N N 15 107.193 0.4 . 1 . . . . . . . . 6434 1 564 . 1 1 64 64 GLY H H 1 8.638 0.02 . 1 . . . . . . . . 6434 1 565 . 1 1 64 64 GLY CA C 13 46.161 . . 1 . . . . . . . . 6434 1 566 . 1 1 64 64 GLY HA3 H 1 4.038 0.02 . 1 . . . . . . . . 6434 1 567 . 1 1 64 64 GLY HA2 H 1 4.038 0.02 . 1 . . . . . . . . 6434 1 568 . 1 1 64 64 GLY C C 13 180.517 . . 1 . . . . . . . . 6434 1 569 . 1 1 65 65 ALA N N 15 122.099 0.4 . 1 . . . . . . . . 6434 1 570 . 1 1 65 65 ALA H H 1 8.360 0.02 . 1 . . . . . . . . 6434 1 571 . 1 1 65 65 ALA CA C 13 52.569 . . 1 . . . . . . . . 6434 1 572 . 1 1 65 65 ALA HA H 1 5.068 0.02 . 1 . . . . . . . . 6434 1 573 . 1 1 65 65 ALA CB C 13 18.992 . . 1 . . . . . . . . 6434 1 574 . 1 1 65 65 ALA HB1 H 1 1.490 0.02 . 1 . . . . . . . . 6434 1 575 . 1 1 65 65 ALA HB2 H 1 1.490 0.02 . 1 . . . . . . . . 6434 1 576 . 1 1 65 65 ALA HB3 H 1 1.490 0.02 . 1 . . . . . . . . 6434 1 577 . 1 1 65 65 ALA C C 13 180.348 . . 1 . . . . . . . . 6434 1 578 . 1 1 66 66 GLU N N 15 122.825 0.4 . 1 . . . . . . . . 6434 1 579 . 1 1 66 66 GLU H H 1 9.240 0.02 . 1 . . . . . . . . 6434 1 580 . 1 1 66 66 GLU CA C 13 55.299 . . 1 . . . . . . . . 6434 1 581 . 1 1 66 66 GLU HA H 1 4.580 0.02 . 1 . . . . . . . . 6434 1 582 . 1 1 66 66 GLU CB C 13 32.145 . . 1 . . . . . . . . 6434 1 583 . 1 1 66 66 GLU CG C 13 35.750 . . 1 . . . . . . . . 6434 1 584 . 1 1 66 66 GLU C C 13 176.514 . . 1 . . . . . . . . 6434 1 585 . 1 1 67 67 TYR N N 15 124.912 0.4 . 1 . . . . . . . . 6434 1 586 . 1 1 67 67 TYR H H 1 8.330 0.02 . 1 . . . . . . . . 6434 1 587 . 1 1 67 67 TYR CA C 13 57.309 . . 1 . . . . . . . . 6434 1 588 . 1 1 67 67 TYR HA H 1 4.210 0.02 . 1 . . . . . . . . 6434 1 589 . 1 1 67 67 TYR CB C 13 38.034 . . 1 . . . . . . . . 6434 1 590 . 1 1 67 67 TYR HB3 H 1 2.530 0.02 . 2 . . . . . . . . 6434 1 591 . 1 1 67 67 TYR HB2 H 1 2.110 0.02 . 2 . . . . . . . . 6434 1 592 . 1 1 67 67 TYR CD1 C 13 131.000 . . 3 . . . . . . . . 6434 1 593 . 1 1 67 67 TYR HD1 H 1 6.640 0.02 . 3 . . . . . . . . 6434 1 594 . 1 1 67 67 TYR CE1 C 13 116.000 . . 3 . . . . . . . . 6434 1 595 . 1 1 67 67 TYR HE1 H 1 6.710 0.02 . 3 . . . . . . . . 6434 1 596 . 1 1 67 67 TYR C C 13 178.138 . . 1 . . . . . . . . 6434 1 597 . 1 1 68 68 THR N N 15 118.457 0.4 . 1 . . . . . . . . 6434 1 598 . 1 1 68 68 THR H H 1 8.460 0.02 . 1 . . . . . . . . 6434 1 599 . 1 1 68 68 THR CA C 13 61.298 . . 1 . . . . . . . . 6434 1 600 . 1 1 68 68 THR HA H 1 4.295 0.02 . 1 . . . . . . . . 6434 1 601 . 1 1 68 68 THR CB C 13 69.205 . . 1 . . . . . . . . 6434 1 602 . 1 1 68 68 THR HG21 H 1 0.987 0.02 . 1 . . . . . . . . 6434 1 603 . 1 1 68 68 THR HG22 H 1 0.987 0.02 . 1 . . . . . . . . 6434 1 604 . 1 1 68 68 THR HG23 H 1 0.987 0.02 . 1 . . . . . . . . 6434 1 605 . 1 1 69 69 GLY N N 15 110.519 0.4 . 1 . . . . . . . . 6434 1 606 . 1 1 69 69 GLY H H 1 8.611 0.02 . 1 . . . . . . . . 6434 1 607 . 1 1 69 69 GLY CA C 13 45.529 . . 1 . . . . . . . . 6434 1 608 . 1 1 69 69 GLY HA3 H 1 4.124 0.02 . 2 . . . . . . . . 6434 1 609 . 1 1 69 69 GLY HA2 H 1 4.029 0.02 . 2 . . . . . . . . 6434 1 610 . 1 1 69 69 GLY C C 13 176.539 . . 1 . . . . . . . . 6434 1 611 . 1 1 70 70 GLU N N 15 120.327 0.4 . 1 . . . . . . . . 6434 1 612 . 1 1 70 70 GLU H H 1 8.010 0.02 . 1 . . . . . . . . 6434 1 613 . 1 1 70 70 GLU CA C 13 57.630 . . 1 . . . . . . . . 6434 1 614 . 1 1 70 70 GLU HA H 1 4.238 0.02 . 1 . . . . . . . . 6434 1 615 . 1 1 70 70 GLU CB C 13 30.261 . . 1 . . . . . . . . 6434 1 616 . 1 1 70 70 GLU HB3 H 1 2.100 0.02 . 1 . . . . . . . . 6434 1 617 . 1 1 70 70 GLU HB2 H 1 2.100 0.02 . 1 . . . . . . . . 6434 1 618 . 1 1 70 70 GLU CG C 13 36.283 . . 1 . . . . . . . . 6434 1 619 . 1 1 70 70 GLU HG3 H 1 2.236 0.02 . 1 . . . . . . . . 6434 1 620 . 1 1 70 70 GLU HG2 H 1 2.236 0.02 . 1 . . . . . . . . 6434 1 621 . 1 1 70 70 GLU C C 13 176.342 . . 1 . . . . . . . . 6434 1 622 . 1 1 71 71 GLU N N 15 119.386 0.4 . 1 . . . . . . . . 6434 1 623 . 1 1 71 71 GLU H H 1 8.544 0.02 . 1 . . . . . . . . 6434 1 624 . 1 1 71 71 GLU CA C 13 57.088 . . 1 . . . . . . . . 6434 1 625 . 1 1 71 71 GLU HA H 1 4.245 0.02 . 1 . . . . . . . . 6434 1 626 . 1 1 71 71 GLU CB C 13 29.719 . . 1 . . . . . . . . 6434 1 627 . 1 1 71 71 GLU HB3 H 1 2.048 0.02 . 2 . . . . . . . . 6434 1 628 . 1 1 71 71 GLU HB2 H 1 1.937 0.02 . 2 . . . . . . . . 6434 1 629 . 1 1 71 71 GLU CG C 13 36.453 . . 1 . . . . . . . . 6434 1 630 . 1 1 71 71 GLU HG3 H 1 2.400 0.02 . 2 . . . . . . . . 6434 1 631 . 1 1 71 71 GLU HG2 H 1 2.248 0.02 . 2 . . . . . . . . 6434 1 632 . 1 1 71 71 GLU C C 13 177.523 . . 1 . . . . . . . . 6434 1 633 . 1 1 72 72 LEU N N 15 120.833 0.4 . 1 . . . . . . . . 6434 1 634 . 1 1 72 72 LEU H H 1 8.160 0.02 . 1 . . . . . . . . 6434 1 635 . 1 1 72 72 LEU CA C 13 55.191 . . 1 . . . . . . . . 6434 1 636 . 1 1 72 72 LEU HA H 1 4.349 0.02 . 1 . . . . . . . . 6434 1 637 . 1 1 72 72 LEU CB C 13 42.275 . . 1 . . . . . . . . 6434 1 638 . 1 1 72 72 LEU HB3 H 1 1.676 0.02 . 2 . . . . . . . . 6434 1 639 . 1 1 72 72 LEU HB2 H 1 1.585 0.02 . 2 . . . . . . . . 6434 1 640 . 1 1 72 72 LEU CG C 13 26.769 . . 1 . . . . . . . . 6434 1 641 . 1 1 72 72 LEU HG H 1 1.583 0.02 . 1 . . . . . . . . 6434 1 642 . 1 1 72 72 LEU CD1 C 13 24.900 . . 1 . . . . . . . . 6434 1 643 . 1 1 72 72 LEU HD11 H 1 0.878 0.02 . 2 . . . . . . . . 6434 1 644 . 1 1 72 72 LEU HD12 H 1 0.878 0.02 . 2 . . . . . . . . 6434 1 645 . 1 1 72 72 LEU HD13 H 1 0.878 0.02 . 2 . . . . . . . . 6434 1 646 . 1 1 72 72 LEU CD2 C 13 22.691 . . 1 . . . . . . . . 6434 1 647 . 1 1 72 72 LEU C C 13 178.138 . . 1 . . . . . . . . 6434 1 648 . 1 1 73 73 ASP N N 15 119.169 0.4 . 1 . . . . . . . . 6434 1 649 . 1 1 73 73 ASP H H 1 8.302 0.02 . 1 . . . . . . . . 6434 1 650 . 1 1 73 73 ASP CA C 13 54.712 . . 1 . . . . . . . . 6434 1 651 . 1 1 73 73 ASP HA H 1 4.450 0.02 . 1 . . . . . . . . 6434 1 652 . 1 1 73 73 ASP CB C 13 40.598 . . 1 . . . . . . . . 6434 1 653 . 1 1 73 73 ASP HB3 H 1 2.809 0.02 . 2 . . . . . . . . 6434 1 654 . 1 1 73 73 ASP HB2 H 1 2.650 0.02 . 2 . . . . . . . . 6434 1 655 . 1 1 73 73 ASP C C 13 177.793 . . 1 . . . . . . . . 6434 1 656 . 1 1 74 74 SER N N 15 113.582 0.4 . 1 . . . . . . . . 6434 1 657 . 1 1 74 74 SER H H 1 7.861 0.02 . 1 . . . . . . . . 6434 1 658 . 1 1 74 74 SER CA C 13 57.877 . . 1 . . . . . . . . 6434 1 659 . 1 1 74 74 SER HA H 1 4.546 0.02 . 1 . . . . . . . . 6434 1 660 . 1 1 74 74 SER CB C 13 64.736 . . 1 . . . . . . . . 6434 1 661 . 1 1 74 74 SER HB3 H 1 3.839 0.02 . 2 . . . . . . . . 6434 1 662 . 1 1 74 74 SER HB2 H 1 3.731 0.02 . 2 . . . . . . . . 6434 1 663 . 1 1 74 74 SER C C 13 179.220 . . 1 . . . . . . . . 6434 1 664 . 1 1 75 75 ASP N N 15 123.625 0.4 . 1 . . . . . . . . 6434 1 665 . 1 1 75 75 ASP H H 1 8.765 0.02 . 1 . . . . . . . . 6434 1 666 . 1 1 75 75 ASP CA C 13 54.531 . . 1 . . . . . . . . 6434 1 667 . 1 1 75 75 ASP HA H 1 4.701 0.02 . 1 . . . . . . . . 6434 1 668 . 1 1 75 75 ASP CB C 13 41.209 . . 1 . . . . . . . . 6434 1 669 . 1 1 75 75 ASP HB3 H 1 2.994 0.02 . 2 . . . . . . . . 6434 1 670 . 1 1 75 75 ASP HB2 H 1 2.722 0.02 . 2 . . . . . . . . 6434 1 671 . 1 1 75 75 ASP C C 13 178.269 . . 1 . . . . . . . . 6434 1 672 . 1 1 76 76 THR N N 15 113.390 0.4 . 1 . . . . . . . . 6434 1 673 . 1 1 76 76 THR H H 1 7.500 0.02 . 1 . . . . . . . . 6434 1 674 . 1 1 76 76 THR CA C 13 61.566 . . 1 . . . . . . . . 6434 1 675 . 1 1 76 76 THR HA H 1 4.733 0.02 . 1 . . . . . . . . 6434 1 676 . 1 1 76 76 THR CB C 13 70.530 . . 1 . . . . . . . . 6434 1 677 . 1 1 76 76 THR HB H 1 3.865 0.02 . 1 . . . . . . . . 6434 1 678 . 1 1 76 76 THR CG2 C 13 21.841 . . 1 . . . . . . . . 6434 1 679 . 1 1 76 76 THR HG21 H 1 1.083 0.02 . 1 . . . . . . . . 6434 1 680 . 1 1 76 76 THR HG22 H 1 1.083 0.02 . 1 . . . . . . . . 6434 1 681 . 1 1 76 76 THR HG23 H 1 1.083 0.02 . 1 . . . . . . . . 6434 1 682 . 1 1 76 76 THR C C 13 179.614 . . 1 . . . . . . . . 6434 1 683 . 1 1 77 77 TRP N N 15 124.381 0.4 . 1 . . . . . . . . 6434 1 684 . 1 1 77 77 TRP H H 1 8.845 0.02 . 1 . . . . . . . . 6434 1 685 . 1 1 77 77 TRP CA C 13 56.316 . . 1 . . . . . . . . 6434 1 686 . 1 1 77 77 TRP CB C 13 31.880 . . 1 . . . . . . . . 6434 1 687 . 1 1 77 77 TRP HB3 H 1 2.810 0.02 . 2 . . . . . . . . 6434 1 688 . 1 1 77 77 TRP HB2 H 1 2.080 0.02 . 2 . . . . . . . . 6434 1 689 . 1 1 77 77 TRP HD1 H 1 7.160 0.02 . 1 . . . . . . . . 6434 1 690 . 1 1 77 77 TRP NE1 N 15 130.190 0.4 . 1 . . . . . . . . 6434 1 691 . 1 1 77 77 TRP HE1 H 1 10.260 0.02 . 3 . . . . . . . . 6434 1 692 . 1 1 77 77 TRP CZ2 C 13 112.520 . . 3 . . . . . . . . 6434 1 693 . 1 1 77 77 TRP HZ2 H 1 7.370 0.02 . 3 . . . . . . . . 6434 1 694 . 1 1 77 77 TRP CH2 C 13 122.280 . . 1 . . . . . . . . 6434 1 695 . 1 1 77 77 TRP HH2 H 1 7.170 0.02 . 1 . . . . . . . . 6434 1 696 . 1 1 77 77 TRP CZ3 C 13 119.570 . . 3 . . . . . . . . 6434 1 697 . 1 1 77 77 TRP HZ3 H 1 7.010 0.02 . 3 . . . . . . . . 6434 1 698 . 1 1 77 77 TRP CE3 C 13 119.680 . . 3 . . . . . . . . 6434 1 699 . 1 1 77 77 TRP HE3 H 1 7.520 0.02 . 3 . . . . . . . . 6434 1 700 . 1 1 78 78 GLN N N 15 122.680 0.4 . 1 . . . . . . . . 6434 1 701 . 1 1 78 78 GLN H H 1 9.077 0.02 . 1 . . . . . . . . 6434 1 702 . 1 1 78 78 GLN CA C 13 53.826 . . 1 . . . . . . . . 6434 1 703 . 1 1 78 78 GLN HA H 1 5.661 0.02 . 1 . . . . . . . . 6434 1 704 . 1 1 78 78 GLN CB C 13 34.260 . . 1 . . . . . . . . 6434 1 705 . 1 1 78 78 GLN HB3 H 1 2.267 0.02 . 1 . . . . . . . . 6434 1 706 . 1 1 78 78 GLN HB2 H 1 2.267 0.02 . 1 . . . . . . . . 6434 1 707 . 1 1 78 78 GLN CG C 13 33.751 . . 1 . . . . . . . . 6434 1 708 . 1 1 78 78 GLN HG3 H 1 1.875 0.02 . 2 . . . . . . . . 6434 1 709 . 1 1 78 78 GLN HG2 H 1 1.923 0.02 . 2 . . . . . . . . 6434 1 710 . 1 1 78 78 GLN NE2 N 15 112.310 0.4 . 1 . . . . . . . . 6434 1 711 . 1 1 78 78 GLN HE21 H 1 7.455 0.02 . 2 . . . . . . . . 6434 1 712 . 1 1 78 78 GLN HE22 H 1 6.666 0.02 . 2 . . . . . . . . 6434 1 713 . 1 1 79 79 ALA N N 15 122.567 0.4 . 1 . . . . . . . . 6434 1 714 . 1 1 79 79 ALA H H 1 9.082 0.02 . 1 . . . . . . . . 6434 1 715 . 1 1 79 79 ALA CA C 13 51.414 . . 1 . . . . . . . . 6434 1 716 . 1 1 79 79 ALA HA H 1 4.853 0.02 . 1 . . . . . . . . 6434 1 717 . 1 1 79 79 ALA CB C 13 23.451 . . 1 . . . . . . . . 6434 1 718 . 1 1 79 79 ALA HB1 H 1 1.510 0.02 . 1 . . . . . . . . 6434 1 719 . 1 1 79 79 ALA HB2 H 1 1.510 0.02 . 1 . . . . . . . . 6434 1 720 . 1 1 79 79 ALA HB3 H 1 1.510 0.02 . 1 . . . . . . . . 6434 1 721 . 1 1 79 79 ALA C C 13 180.450 . . 1 . . . . . . . . 6434 1 722 . 1 1 80 80 GLU N N 15 117.908 0.4 . 1 . . . . . . . . 6434 1 723 . 1 1 80 80 GLU H H 1 8.759 0.02 . 1 . . . . . . . . 6434 1 724 . 1 1 80 80 GLU CA C 13 54.975 . . 1 . . . . . . . . 6434 1 725 . 1 1 80 80 GLU HA H 1 5.220 0.02 . 1 . . . . . . . . 6434 1 726 . 1 1 80 80 GLU CB C 13 30.837 . . 1 . . . . . . . . 6434 1 727 . 1 1 80 80 GLU HB3 H 1 2.200 0.02 . 2 . . . . . . . . 6434 1 728 . 1 1 80 80 GLU HB2 H 1 1.631 0.02 . 2 . . . . . . . . 6434 1 729 . 1 1 80 80 GLU CG C 13 36.283 . . 1 . . . . . . . . 6434 1 730 . 1 1 80 80 GLU HG3 H 1 1.875 0.02 . 2 . . . . . . . . 6434 1 731 . 1 1 80 80 GLU HG2 H 1 2.200 0.02 . 2 . . . . . . . . 6434 1 732 . 1 1 80 80 GLU C C 13 175.785 . . 1 . . . . . . . . 6434 1 733 . 1 1 81 81 LEU N N 15 127.402 0.4 . 1 . . . . . . . . 6434 1 734 . 1 1 81 81 LEU H H 1 9.440 0.02 . 1 . . . . . . . . 6434 1 735 . 1 1 81 81 LEU CA C 13 54.050 . . 1 . . . . . . . . 6434 1 736 . 1 1 81 81 LEU HA H 1 4.786 0.02 . 1 . . . . . . . . 6434 1 737 . 1 1 81 81 LEU CB C 13 44.904 . . 1 . . . . . . . . 6434 1 738 . 1 1 81 81 LEU HB3 H 1 1.890 0.02 . 2 . . . . . . . . 6434 1 739 . 1 1 81 81 LEU HB2 H 1 1.168 0.02 . 2 . . . . . . . . 6434 1 740 . 1 1 81 81 LEU CG C 13 27.585 . . 1 . . . . . . . . 6434 1 741 . 1 1 81 81 LEU HG H 1 1.525 0.02 . 1 . . . . . . . . 6434 1 742 . 1 1 81 81 LEU CD1 C 13 22.600 . . 1 . . . . . . . . 6434 1 743 . 1 1 81 81 LEU HD11 H 1 0.754 0.02 . 2 . . . . . . . . 6434 1 744 . 1 1 81 81 LEU HD12 H 1 0.754 0.02 . 2 . . . . . . . . 6434 1 745 . 1 1 81 81 LEU HD13 H 1 0.754 0.02 . 2 . . . . . . . . 6434 1 746 . 1 1 81 81 LEU CD2 C 13 26.051 . . 1 . . . . . . . . 6434 1 747 . 1 1 81 81 LEU HD21 H 1 0.747 0.02 . 2 . . . . . . . . 6434 1 748 . 1 1 81 81 LEU HD22 H 1 0.747 0.02 . 2 . . . . . . . . 6434 1 749 . 1 1 81 81 LEU HD23 H 1 0.747 0.02 . 2 . . . . . . . . 6434 1 750 . 1 1 81 81 LEU C C 13 179.687 . . 1 . . . . . . . . 6434 1 751 . 1 1 82 82 HIS N N 15 125.164 0.4 . 1 . . . . . . . . 6434 1 752 . 1 1 82 82 HIS H H 1 9.316 0.02 . 1 . . . . . . . . 6434 1 753 . 1 1 82 82 HIS CA C 13 54.439 . . 1 . . . . . . . . 6434 1 754 . 1 1 82 82 HIS HA H 1 5.180 0.02 . 1 . . . . . . . . 6434 1 755 . 1 1 82 82 HIS CB C 13 29.448 . . 1 . . . . . . . . 6434 1 756 . 1 1 82 82 HIS HB3 H 1 2.485 0.02 . 2 . . . . . . . . 6434 1 757 . 1 1 82 82 HIS HB2 H 1 1.368 0.02 . 2 . . . . . . . . 6434 1 758 . 1 1 82 82 HIS CE1 C 13 138.450 . . 1 . . . . . . . . 6434 1 759 . 1 1 82 82 HIS HE1 H 1 8.110 0.02 . 3 . . . . . . . . 6434 1 760 . 1 1 82 82 HIS C C 13 180.770 . . 1 . . . . . . . . 6434 1 761 . 1 1 83 83 ILE N N 15 121.741 0.4 . 1 . . . . . . . . 6434 1 762 . 1 1 83 83 ILE H H 1 8.941 0.02 . 1 . . . . . . . . 6434 1 763 . 1 1 83 83 ILE CA C 13 61.304 . . 1 . . . . . . . . 6434 1 764 . 1 1 83 83 ILE HA H 1 4.748 0.02 . 1 . . . . . . . . 6434 1 765 . 1 1 83 83 ILE CB C 13 39.221 . . 1 . . . . . . . . 6434 1 766 . 1 1 83 83 ILE HB H 1 2.088 0.02 . 1 . . . . . . . . 6434 1 767 . 1 1 83 83 ILE CG1 C 13 28.510 . . 2 . . . . . . . . 6434 1 768 . 1 1 83 83 ILE HG13 H 1 1.385 0.02 . 1 . . . . . . . . 6434 1 769 . 1 1 83 83 ILE HG12 H 1 1.639 0.02 . 1 . . . . . . . . 6434 1 770 . 1 1 83 83 ILE CD1 C 13 14.546 . . 1 . . . . . . . . 6434 1 771 . 1 1 83 83 ILE HD11 H 1 1.015 0.02 . 1 . . . . . . . . 6434 1 772 . 1 1 83 83 ILE HD12 H 1 1.015 0.02 . 1 . . . . . . . . 6434 1 773 . 1 1 83 83 ILE HD13 H 1 1.015 0.02 . 1 . . . . . . . . 6434 1 774 . 1 1 83 83 ILE CG2 C 13 19.520 . . 1 . . . . . . . . 6434 1 775 . 1 1 83 83 ILE HG21 H 1 0.894 0.02 . 1 . . . . . . . . 6434 1 776 . 1 1 83 83 ILE HG22 H 1 0.894 0.02 . 1 . . . . . . . . 6434 1 777 . 1 1 83 83 ILE HG23 H 1 0.894 0.02 . 1 . . . . . . . . 6434 1 778 . 1 1 83 83 ILE C C 13 180.991 . . 1 . . . . . . . . 6434 1 779 . 1 1 84 84 GLU N N 15 129.184 0.4 . 1 . . . . . . . . 6434 1 780 . 1 1 84 84 GLU H H 1 9.385 0.02 . 1 . . . . . . . . 6434 1 781 . 1 1 84 84 GLU CA C 13 53.453 . . 1 . . . . . . . . 6434 1 782 . 1 1 84 84 GLU HA H 1 5.720 0.02 . 1 . . . . . . . . 6434 1 783 . 1 1 84 84 GLU CB C 13 33.743 . . 1 . . . . . . . . 6434 1 784 . 1 1 84 84 GLU HB3 H 1 2.120 0.02 . 2 . . . . . . . . 6434 1 785 . 1 1 84 84 GLU HB2 H 1 1.800 0.02 . 2 . . . . . . . . 6434 1 786 . 1 1 84 84 GLU CG C 13 36.283 . . 1 . . . . . . . . 6434 1 787 . 1 1 84 84 GLU HG3 H 1 2.200 0.02 . 2 . . . . . . . . 6434 1 788 . 1 1 84 84 GLU HG2 H 1 1.879 0.02 . 2 . . . . . . . . 6434 1 789 . 1 1 84 84 GLU C C 13 181.163 . . 1 . . . . . . . . 6434 1 790 . 1 1 85 85 VAL N N 15 126.481 0.4 . 1 . . . . . . . . 6434 1 791 . 1 1 85 85 VAL H H 1 8.523 0.02 . 1 . . . . . . . . 6434 1 792 . 1 1 85 85 VAL CA C 13 60.253 . . 1 . . . . . . . . 6434 1 793 . 1 1 85 85 VAL HA H 1 4.790 0.02 . 1 . . . . . . . . 6434 1 794 . 1 1 85 85 VAL CB C 13 34.087 . . 1 . . . . . . . . 6434 1 795 . 1 1 85 85 VAL HB H 1 1.796 0.02 . 1 . . . . . . . . 6434 1 796 . 1 1 85 85 VAL CG2 C 13 21.841 . . 1 . . . . . . . . 6434 1 797 . 1 1 85 85 VAL HG21 H 1 0.857 0.02 . 2 . . . . . . . . 6434 1 798 . 1 1 85 85 VAL HG22 H 1 0.857 0.02 . 2 . . . . . . . . 6434 1 799 . 1 1 85 85 VAL HG23 H 1 0.857 0.02 . 2 . . . . . . . . 6434 1 800 . 1 1 85 85 VAL CG1 C 13 19.548 . . 1 . . . . . . . . 6434 1 801 . 1 1 85 85 VAL HG11 H 1 0.444 0.02 . 2 . . . . . . . . 6434 1 802 . 1 1 85 85 VAL HG12 H 1 0.444 0.02 . 2 . . . . . . . . 6434 1 803 . 1 1 85 85 VAL HG13 H 1 0.444 0.02 . 2 . . . . . . . . 6434 1 804 . 1 1 85 85 VAL C C 13 180.253 . . 1 . . . . . . . . 6434 1 805 . 1 1 86 86 PHE N N 15 122.910 0.4 . 1 . . . . . . . . 6434 1 806 . 1 1 86 86 PHE H H 1 9.387 0.02 . 1 . . . . . . . . 6434 1 807 . 1 1 86 86 PHE CA C 13 56.426 . . 1 . . . . . . . . 6434 1 808 . 1 1 86 86 PHE HA H 1 4.860 0.02 . 1 . . . . . . . . 6434 1 809 . 1 1 86 86 PHE CB C 13 42.066 . . 1 . . . . . . . . 6434 1 810 . 1 1 86 86 PHE HB3 H 1 2.610 0.02 . 2 . . . . . . . . 6434 1 811 . 1 1 86 86 PHE HB2 H 1 2.100 0.02 . 2 . . . . . . . . 6434 1 812 . 1 1 86 86 PHE CD1 C 13 130.877 . . 3 . . . . . . . . 6434 1 813 . 1 1 86 86 PHE HD1 H 1 6.460 0.02 . 3 . . . . . . . . 6434 1 814 . 1 1 86 86 PHE CE1 C 13 128.616 . . 3 . . . . . . . . 6434 1 815 . 1 1 86 86 PHE HE1 H 1 6.100 0.02 . 3 . . . . . . . . 6434 1 816 . 1 1 86 86 PHE CZ C 13 126.356 . . 1 . . . . . . . . 6434 1 817 . 1 1 86 86 PHE HZ H 1 6.590 0.02 . 1 . . . . . . . . 6434 1 818 . 1 1 86 86 PHE C C 13 181.237 . . 1 . . . . . . . . 6434 1 819 . 1 1 87 87 LEU N N 15 121.690 0.4 . 1 . . . . . . . . 6434 1 820 . 1 1 87 87 LEU H H 1 8.838 0.02 . 1 . . . . . . . . 6434 1 821 . 1 1 87 87 LEU CA C 13 51.128 . . 1 . . . . . . . . 6434 1 822 . 1 1 87 87 LEU HA H 1 4.609 0.02 . 1 . . . . . . . . 6434 1 823 . 1 1 87 87 LEU CB C 13 43.242 . . 1 . . . . . . . . 6434 1 824 . 1 1 87 87 LEU HB3 H 1 1.468 0.02 . 2 . . . . . . . . 6434 1 825 . 1 1 87 87 LEU HB2 H 1 1.269 0.02 . 2 . . . . . . . . 6434 1 826 . 1 1 87 87 LEU CG C 13 27.202 . . 1 . . . . . . . . 6434 1 827 . 1 1 87 87 LEU HG H 1 1.356 0.02 . 1 . . . . . . . . 6434 1 828 . 1 1 87 87 LEU CD1 C 13 25.284 . . 1 . . . . . . . . 6434 1 829 . 1 1 87 87 LEU HD11 H 1 0.740 0.02 . 2 . . . . . . . . 6434 1 830 . 1 1 87 87 LEU HD12 H 1 0.740 0.02 . 2 . . . . . . . . 6434 1 831 . 1 1 87 87 LEU HD13 H 1 0.740 0.02 . 2 . . . . . . . . 6434 1 832 . 1 1 87 87 LEU CD2 C 13 22.216 . . 1 . . . . . . . . 6434 1 833 . 1 1 87 87 LEU HD21 H 1 0.659 0.02 . 2 . . . . . . . . 6434 1 834 . 1 1 87 87 LEU HD22 H 1 0.659 0.02 . 2 . . . . . . . . 6434 1 835 . 1 1 87 87 LEU HD23 H 1 0.659 0.02 . 2 . . . . . . . . 6434 1 836 . 1 1 87 87 LEU C C 13 180.204 . . 1 . . . . . . . . 6434 1 837 . 1 1 88 88 PRO CA C 13 62.701 . . 1 . . . . . . . . 6434 1 838 . 1 1 88 88 PRO HA H 1 4.000 0.02 . 1 . . . . . . . . 6434 1 839 . 1 1 88 88 PRO CB C 13 31.873 . . 1 . . . . . . . . 6434 1 840 . 1 1 88 88 PRO HB3 H 1 1.720 0.02 . 1 . . . . . . . . 6434 1 841 . 1 1 88 88 PRO HB2 H 1 1.720 0.02 . 1 . . . . . . . . 6434 1 842 . 1 1 88 88 PRO CG C 13 28.200 . . 1 . . . . . . . . 6434 1 843 . 1 1 88 88 PRO HG3 H 1 2.100 0.02 . 1 . . . . . . . . 6434 1 844 . 1 1 88 88 PRO HG2 H 1 2.100 0.02 . 1 . . . . . . . . 6434 1 845 . 1 1 89 89 ALA N N 15 120.211 0.4 . 1 . . . . . . . . 6434 1 846 . 1 1 89 89 ALA H H 1 7.484 0.02 . 1 . . . . . . . . 6434 1 847 . 1 1 89 89 ALA CA C 13 53.368 . . 1 . . . . . . . . 6434 1 848 . 1 1 89 89 ALA HA H 1 3.828 0.02 . 1 . . . . . . . . 6434 1 849 . 1 1 89 89 ALA CB C 13 18.485 . . 1 . . . . . . . . 6434 1 850 . 1 1 89 89 ALA HB1 H 1 1.187 0.02 . 1 . . . . . . . . 6434 1 851 . 1 1 89 89 ALA HB2 H 1 1.187 0.02 . 1 . . . . . . . . 6434 1 852 . 1 1 89 89 ALA HB3 H 1 1.187 0.02 . 1 . . . . . . . . 6434 1 853 . 1 1 89 89 ALA C C 13 178.851 . . 1 . . . . . . . . 6434 1 854 . 1 1 90 90 GLN N N 15 114.043 0.4 . 1 . . . . . . . . 6434 1 855 . 1 1 90 90 GLN H H 1 7.815 0.02 . 1 . . . . . . . . 6434 1 856 . 1 1 90 90 GLN CA C 13 56.252 . . 1 . . . . . . . . 6434 1 857 . 1 1 90 90 GLN HA H 1 4.117 0.02 . 1 . . . . . . . . 6434 1 858 . 1 1 90 90 GLN CB C 13 28.139 . . 1 . . . . . . . . 6434 1 859 . 1 1 90 90 GLN HB3 H 1 2.021 0.02 . 1 . . . . . . . . 6434 1 860 . 1 1 90 90 GLN HB2 H 1 2.021 0.02 . 1 . . . . . . . . 6434 1 861 . 1 1 90 90 GLN CG C 13 33.735 . . 1 . . . . . . . . 6434 1 862 . 1 1 90 90 GLN HG3 H 1 2.267 0.02 . 1 . . . . . . . . 6434 1 863 . 1 1 90 90 GLN HG2 H 1 2.267 0.02 . 1 . . . . . . . . 6434 1 864 . 1 1 90 90 GLN NE2 N 15 112.510 0.4 . 1 . . . . . . . . 6434 1 865 . 1 1 90 90 GLN HE21 H 1 7.423 0.02 . 2 . . . . . . . . 6434 1 866 . 1 1 90 90 GLN HE22 H 1 6.793 0.02 . 2 . . . . . . . . 6434 1 867 . 1 1 90 90 GLN C C 13 177.963 . . 1 . . . . . . . . 6434 1 868 . 1 1 91 91 VAL N N 15 119.380 0.4 . 1 . . . . . . . . 6434 1 869 . 1 1 91 91 VAL H H 1 7.606 0.02 . 1 . . . . . . . . 6434 1 870 . 1 1 91 91 VAL CA C 13 59.955 . . 1 . . . . . . . . 6434 1 871 . 1 1 91 91 VAL HA H 1 4.452 0.02 . 1 . . . . . . . . 6434 1 872 . 1 1 91 91 VAL CB C 13 31.257 . . 1 . . . . . . . . 6434 1 873 . 1 1 91 91 VAL HB H 1 2.155 0.02 . 1 . . . . . . . . 6434 1 874 . 1 1 91 91 VAL CG2 C 13 21.450 . . 1 . . . . . . . . 6434 1 875 . 1 1 91 91 VAL HG21 H 1 0.998 0.02 . 2 . . . . . . . . 6434 1 876 . 1 1 91 91 VAL HG22 H 1 0.998 0.02 . 2 . . . . . . . . 6434 1 877 . 1 1 91 91 VAL HG23 H 1 0.998 0.02 . 2 . . . . . . . . 6434 1 878 . 1 1 91 91 VAL CG1 C 13 19.149 . . 1 . . . . . . . . 6434 1 879 . 1 1 91 91 VAL HG11 H 1 0.841 0.02 . 2 . . . . . . . . 6434 1 880 . 1 1 91 91 VAL HG12 H 1 0.841 0.02 . 2 . . . . . . . . 6434 1 881 . 1 1 91 91 VAL HG13 H 1 0.841 0.02 . 2 . . . . . . . . 6434 1 882 . 1 1 91 91 VAL C C 13 178.654 . . 1 . . . . . . . . 6434 1 883 . 1 1 92 92 PRO CA C 13 62.350 . . 1 . . . . . . . . 6434 1 884 . 1 1 92 92 PRO HA H 1 4.527 0.02 . 1 . . . . . . . . 6434 1 885 . 1 1 92 92 PRO CB C 13 32.090 . . 1 . . . . . . . . 6434 1 886 . 1 1 92 92 PRO HB3 H 1 2.348 0.02 . 2 . . . . . . . . 6434 1 887 . 1 1 92 92 PRO HB2 H 1 2.105 0.02 . 2 . . . . . . . . 6434 1 888 . 1 1 92 92 PRO CG C 13 27.530 . . 1 . . . . . . . . 6434 1 889 . 1 1 92 92 PRO HG3 H 1 2.059 0.02 . 1 . . . . . . . . 6434 1 890 . 1 1 92 92 PRO HG2 H 1 2.059 0.02 . 1 . . . . . . . . 6434 1 891 . 1 1 92 92 PRO CD C 13 50.210 . . 1 . . . . . . . . 6434 1 892 . 1 1 92 92 PRO HD3 H 1 3.776 0.02 . 1 . . . . . . . . 6434 1 893 . 1 1 92 92 PRO HD2 H 1 3.776 0.02 . 1 . . . . . . . . 6434 1 894 . 1 1 93 93 ASP N N 15 123.693 0.4 . 1 . . . . . . . . 6434 1 895 . 1 1 93 93 ASP H H 1 8.611 0.02 . 1 . . . . . . . . 6434 1 896 . 1 1 93 93 ASP CA C 13 57.684 . . 1 . . . . . . . . 6434 1 897 . 1 1 93 93 ASP HA H 1 4.072 0.02 . 1 . . . . . . . . 6434 1 898 . 1 1 93 93 ASP CB C 13 38.973 . . 1 . . . . . . . . 6434 1 899 . 1 1 93 93 ASP HB3 H 1 2.453 0.02 . 2 . . . . . . . . 6434 1 900 . 1 1 93 93 ASP HB2 H 1 2.328 0.02 . 2 . . . . . . . . 6434 1 901 . 1 1 93 93 ASP C C 13 177.121 . . 1 . . . . . . . . 6434 1 902 . 1 1 94 94 SER N N 15 111.260 0.4 . 1 . . . . . . . . 6434 1 903 . 1 1 94 94 SER H H 1 8.224 0.02 . 1 . . . . . . . . 6434 1 904 . 1 1 94 94 SER CA C 13 60.728 . . 1 . . . . . . . . 6434 1 905 . 1 1 94 94 SER HA H 1 4.244 0.02 . 1 . . . . . . . . 6434 1 906 . 1 1 94 94 SER CB C 13 62.102 . . 1 . . . . . . . . 6434 1 907 . 1 1 94 94 SER HB3 H 1 4.517 0.02 . 1 . . . . . . . . 6434 1 908 . 1 1 94 94 SER HB2 H 1 4.517 0.02 . 1 . . . . . . . . 6434 1 909 . 1 1 94 94 SER C C 13 177.021 . . 1 . . . . . . . . 6434 1 910 . 1 1 95 95 GLU N N 15 124.879 0.4 . 1 . . . . . . . . 6434 1 911 . 1 1 95 95 GLU H H 1 7.973 0.02 . 1 . . . . . . . . 6434 1 912 . 1 1 95 95 GLU CA C 13 59.201 . . 1 . . . . . . . . 6434 1 913 . 1 1 95 95 GLU HA H 1 4.301 0.02 . 1 . . . . . . . . 6434 1 914 . 1 1 95 95 GLU CB C 13 29.786 . . 1 . . . . . . . . 6434 1 915 . 1 1 95 95 GLU HB3 H 1 2.142 0.02 . 2 . . . . . . . . 6434 1 916 . 1 1 95 95 GLU HB2 H 1 2.079 0.02 . 2 . . . . . . . . 6434 1 917 . 1 1 95 95 GLU CG C 13 37.031 . . 1 . . . . . . . . 6434 1 918 . 1 1 95 95 GLU HG3 H 1 2.236 0.02 . 2 . . . . . . . . 6434 1 919 . 1 1 95 95 GLU HG2 H 1 2.340 0.02 . 2 . . . . . . . . 6434 1 920 . 1 1 95 95 GLU C C 13 177.141 . . 1 . . . . . . . . 6434 1 921 . 1 1 96 96 LEU N N 15 123.030 0.4 . 1 . . . . . . . . 6434 1 922 . 1 1 96 96 LEU H H 1 7.223 0.02 . 1 . . . . . . . . 6434 1 923 . 1 1 96 96 LEU CA C 13 58.471 . . 1 . . . . . . . . 6434 1 924 . 1 1 96 96 LEU HA H 1 4.128 0.02 . 1 . . . . . . . . 6434 1 925 . 1 1 96 96 LEU CB C 13 41.730 . . 1 . . . . . . . . 6434 1 926 . 1 1 96 96 LEU HB3 H 1 1.544 0.02 . 2 . . . . . . . . 6434 1 927 . 1 1 96 96 LEU HB2 H 1 2.409 0.02 . 2 . . . . . . . . 6434 1 928 . 1 1 96 96 LEU CG C 13 26.233 . . 1 . . . . . . . . 6434 1 929 . 1 1 96 96 LEU HG H 1 2.400 0.02 . 1 . . . . . . . . 6434 1 930 . 1 1 96 96 LEU CD1 C 13 23.367 . . 1 . . . . . . . . 6434 1 931 . 1 1 96 96 LEU HD11 H 1 0.789 0.02 . 2 . . . . . . . . 6434 1 932 . 1 1 96 96 LEU HD12 H 1 0.789 0.02 . 2 . . . . . . . . 6434 1 933 . 1 1 96 96 LEU HD13 H 1 0.789 0.02 . 2 . . . . . . . . 6434 1 934 . 1 1 96 96 LEU CD2 C 13 22.983 . . 1 . . . . . . . . 6434 1 935 . 1 1 96 96 LEU HD21 H 1 0.927 0.02 . 2 . . . . . . . . 6434 1 936 . 1 1 96 96 LEU HD22 H 1 0.927 0.02 . 2 . . . . . . . . 6434 1 937 . 1 1 96 96 LEU HD23 H 1 0.927 0.02 . 2 . . . . . . . . 6434 1 938 . 1 1 96 96 LEU C C 13 174.694 . . 1 . . . . . . . . 6434 1 939 . 1 1 97 97 ASP N N 15 119.034 0.4 . 1 . . . . . . . . 6434 1 940 . 1 1 97 97 ASP H H 1 8.337 0.02 . 1 . . . . . . . . 6434 1 941 . 1 1 97 97 ASP CA C 13 57.205 . . 1 . . . . . . . . 6434 1 942 . 1 1 97 97 ASP HA H 1 4.325 0.02 . 1 . . . . . . . . 6434 1 943 . 1 1 97 97 ASP CB C 13 39.720 . . 1 . . . . . . . . 6434 1 944 . 1 1 97 97 ASP HB3 H 1 2.843 0.02 . 1 . . . . . . . . 6434 1 945 . 1 1 97 97 ASP HB2 H 1 2.843 0.02 . 1 . . . . . . . . 6434 1 946 . 1 1 97 97 ASP C C 13 175.948 . . 1 . . . . . . . . 6434 1 947 . 1 1 98 98 ALA N N 15 120.560 0.4 . 1 . . . . . . . . 6434 1 948 . 1 1 98 98 ALA H H 1 8.009 0.02 . 1 . . . . . . . . 6434 1 949 . 1 1 98 98 ALA CA C 13 54.818 . . 1 . . . . . . . . 6434 1 950 . 1 1 98 98 ALA HA H 1 4.234 0.02 . 1 . . . . . . . . 6434 1 951 . 1 1 98 98 ALA CB C 13 18.070 . . 1 . . . . . . . . 6434 1 952 . 1 1 98 98 ALA HB1 H 1 1.573 0.02 . 1 . . . . . . . . 6434 1 953 . 1 1 98 98 ALA HB2 H 1 1.573 0.02 . 1 . . . . . . . . 6434 1 954 . 1 1 98 98 ALA HB3 H 1 1.573 0.02 . 1 . . . . . . . . 6434 1 955 . 1 1 98 98 ALA C C 13 176.366 . . 1 . . . . . . . . 6434 1 956 . 1 1 99 99 TRP N N 15 123.568 0.4 . 1 . . . . . . . . 6434 1 957 . 1 1 99 99 TRP H H 1 7.979 0.02 . 1 . . . . . . . . 6434 1 958 . 1 1 99 99 TRP CA C 13 62.741 . . 1 . . . . . . . . 6434 1 959 . 1 1 99 99 TRP HA H 1 3.934 0.02 . 1 . . . . . . . . 6434 1 960 . 1 1 99 99 TRP CB C 13 29.786 . . 1 . . . . . . . . 6434 1 961 . 1 1 99 99 TRP HB3 H 1 3.580 0.02 . 2 . . . . . . . . 6434 1 962 . 1 1 99 99 TRP HB2 H 1 3.469 0.02 . 2 . . . . . . . . 6434 1 963 . 1 1 99 99 TRP HD1 H 1 7.260 0.02 . 1 . . . . . . . . 6434 1 964 . 1 1 99 99 TRP NE1 N 15 128.600 0.4 . 1 . . . . . . . . 6434 1 965 . 1 1 99 99 TRP HE1 H 1 10.270 0.02 . 3 . . . . . . . . 6434 1 966 . 1 1 99 99 TRP CZ2 C 13 112.310 . . 3 . . . . . . . . 6434 1 967 . 1 1 99 99 TRP HZ2 H 1 7.270 0.02 . 3 . . . . . . . . 6434 1 968 . 1 1 99 99 TRP CH2 C 13 122.280 . . 1 . . . . . . . . 6434 1 969 . 1 1 99 99 TRP HH2 H 1 6.910 0.02 . 1 . . . . . . . . 6434 1 970 . 1 1 99 99 TRP CZ3 C 13 119.570 . . 3 . . . . . . . . 6434 1 971 . 1 1 99 99 TRP HZ3 H 1 6.940 0.02 . 3 . . . . . . . . 6434 1 972 . 1 1 99 99 TRP CE3 C 13 119.790 . . 3 . . . . . . . . 6434 1 973 . 1 1 99 99 TRP HE3 H 1 7.380 0.02 . 3 . . . . . . . . 6434 1 974 . 1 1 100 100 MET N N 15 118.458 0.4 . 1 . . . . . . . . 6434 1 975 . 1 1 100 100 MET H H 1 8.411 0.02 . 1 . . . . . . . . 6434 1 976 . 1 1 100 100 MET CA C 13 58.680 . . 1 . . . . . . . . 6434 1 977 . 1 1 100 100 MET HA H 1 4.170 0.02 . 1 . . . . . . . . 6434 1 978 . 1 1 100 100 MET CB C 13 32.139 . . 1 . . . . . . . . 6434 1 979 . 1 1 100 100 MET HB3 H 1 1.608 0.02 . 2 . . . . . . . . 6434 1 980 . 1 1 100 100 MET HB2 H 1 1.600 0.02 . 2 . . . . . . . . 6434 1 981 . 1 1 100 100 MET CE C 13 19.050 . . 1 . . . . . . . . 6434 1 982 . 1 1 100 100 MET HE1 H 1 2.040 0.02 . 1 . . . . . . . . 6434 1 983 . 1 1 100 100 MET HE2 H 1 2.040 0.02 . 1 . . . . . . . . 6434 1 984 . 1 1 100 100 MET HE3 H 1 2.040 0.02 . 1 . . . . . . . . 6434 1 985 . 1 1 100 100 MET C C 13 173.955 . . 1 . . . . . . . . 6434 1 986 . 1 1 101 101 GLU N N 15 118.080 0.4 . 1 . . . . . . . . 6434 1 987 . 1 1 101 101 GLU H H 1 8.756 0.02 . 1 . . . . . . . . 6434 1 988 . 1 1 101 101 GLU CA C 13 59.628 . . 1 . . . . . . . . 6434 1 989 . 1 1 101 101 GLU HA H 1 3.970 0.02 . 1 . . . . . . . . 6434 1 990 . 1 1 101 101 GLU CB C 13 30.004 . . 1 . . . . . . . . 6434 1 991 . 1 1 101 101 GLU HB3 H 1 2.125 0.02 . 2 . . . . . . . . 6434 1 992 . 1 1 101 101 GLU HB2 H 1 2.074 0.02 . 2 . . . . . . . . 6434 1 993 . 1 1 101 101 GLU CG C 13 36.113 . . 1 . . . . . . . . 6434 1 994 . 1 1 101 101 GLU HG3 H 1 2.280 0.02 . 2 . . . . . . . . 6434 1 995 . 1 1 101 101 GLU HG2 H 1 2.270 0.02 . 2 . . . . . . . . 6434 1 996 . 1 1 101 101 GLU C C 13 175.776 . . 1 . . . . . . . . 6434 1 997 . 1 1 102 102 SER N N 15 109.418 0.4 . 1 . . . . . . . . 6434 1 998 . 1 1 102 102 SER H H 1 7.996 0.02 . 1 . . . . . . . . 6434 1 999 . 1 1 102 102 SER CA C 13 59.900 . . 1 . . . . . . . . 6434 1 1000 . 1 1 102 102 SER HA H 1 4.450 0.02 . 1 . . . . . . . . 6434 1 1001 . 1 1 102 102 SER CB C 13 64.600 . . 1 . . . . . . . . 6434 1 1002 . 1 1 102 102 SER HB3 H 1 3.875 0.02 . 1 . . . . . . . . 6434 1 1003 . 1 1 102 102 SER HB2 H 1 3.875 0.02 . 1 . . . . . . . . 6434 1 1004 . 1 1 102 102 SER C C 13 177.154 . . 1 . . . . . . . . 6434 1 1005 . 1 1 103 103 ARG N N 15 117.611 0.4 . 1 . . . . . . . . 6434 1 1006 . 1 1 103 103 ARG H H 1 8.021 0.02 . 1 . . . . . . . . 6434 1 1007 . 1 1 103 103 ARG CA C 13 56.698 . . 1 . . . . . . . . 6434 1 1008 . 1 1 103 103 ARG HA H 1 4.497 0.02 . 1 . . . . . . . . 6434 1 1009 . 1 1 103 103 ARG CB C 13 32.139 . . 1 . . . . . . . . 6434 1 1010 . 1 1 103 103 ARG HB3 H 1 1.437 0.02 . 1 . . . . . . . . 6434 1 1011 . 1 1 103 103 ARG HB2 H 1 1.437 0.02 . 1 . . . . . . . . 6434 1 1012 . 1 1 103 103 ARG CG C 13 26.939 . . 1 . . . . . . . . 6434 1 1013 . 1 1 103 103 ARG HG3 H 1 1.055 0.02 . 2 . . . . . . . . 6434 1 1014 . 1 1 103 103 ARG HG2 H 1 0.757 0.02 . 2 . . . . . . . . 6434 1 1015 . 1 1 103 103 ARG CD C 13 42.157 . . 1 . . . . . . . . 6434 1 1016 . 1 1 103 103 ARG HD3 H 1 3.113 0.02 . 1 . . . . . . . . 6434 1 1017 . 1 1 103 103 ARG HD2 H 1 3.113 0.02 . 1 . . . . . . . . 6434 1 1018 . 1 1 103 103 ARG NE N 15 85.650 0.4 . 1 . . . . . . . . 6434 1 1019 . 1 1 103 103 ARG HE H 1 6.520 0.02 . 1 . . . . . . . . 6434 1 1020 . 1 1 103 103 ARG C C 13 178.531 . . 1 . . . . . . . . 6434 1 1021 . 1 1 104 104 ILE N N 15 116.607 0.4 . 1 . . . . . . . . 6434 1 1022 . 1 1 104 104 ILE H H 1 7.555 0.02 . 1 . . . . . . . . 6434 1 1023 . 1 1 104 104 ILE CA C 13 60.490 . . 1 . . . . . . . . 6434 1 1024 . 1 1 104 104 ILE HA H 1 4.372 0.02 . 1 . . . . . . . . 6434 1 1025 . 1 1 104 104 ILE CB C 13 36.534 . . 1 . . . . . . . . 6434 1 1026 . 1 1 104 104 ILE HB H 1 2.478 0.02 . 1 . . . . . . . . 6434 1 1027 . 1 1 104 104 ILE CG1 C 13 26.051 . . 2 . . . . . . . . 6434 1 1028 . 1 1 104 104 ILE HG13 H 1 1.821 0.02 . 1 . . . . . . . . 6434 1 1029 . 1 1 104 104 ILE HG12 H 1 1.821 0.02 . 1 . . . . . . . . 6434 1 1030 . 1 1 104 104 ILE CD1 C 13 9.933 . . 1 . . . . . . . . 6434 1 1031 . 1 1 104 104 ILE HD11 H 1 0.943 0.02 . 1 . . . . . . . . 6434 1 1032 . 1 1 104 104 ILE HD12 H 1 0.943 0.02 . 1 . . . . . . . . 6434 1 1033 . 1 1 104 104 ILE HD13 H 1 0.943 0.02 . 1 . . . . . . . . 6434 1 1034 . 1 1 104 104 ILE CG2 C 13 18.381 . . 1 . . . . . . . . 6434 1 1035 . 1 1 104 104 ILE HG21 H 1 0.888 0.02 . 1 . . . . . . . . 6434 1 1036 . 1 1 104 104 ILE HG22 H 1 0.888 0.02 . 1 . . . . . . . . 6434 1 1037 . 1 1 104 104 ILE HG23 H 1 0.888 0.02 . 1 . . . . . . . . 6434 1 1038 . 1 1 104 104 ILE C C 13 179.515 . . 1 . . . . . . . . 6434 1 1039 . 1 1 105 105 TYR N N 15 120.077 0.4 . 1 . . . . . . . . 6434 1 1040 . 1 1 105 105 TYR H H 1 8.770 0.02 . 1 . . . . . . . . 6434 1 1041 . 1 1 105 105 TYR CA C 13 56.424 . . 1 . . . . . . . . 6434 1 1042 . 1 1 105 105 TYR HA H 1 5.487 0.02 . 1 . . . . . . . . 6434 1 1043 . 1 1 105 105 TYR CB C 13 39.665 . . 1 . . . . . . . . 6434 1 1044 . 1 1 105 105 TYR HB3 H 1 3.190 0.02 . 1 . . . . . . . . 6434 1 1045 . 1 1 105 105 TYR HB2 H 1 3.190 0.02 . 1 . . . . . . . . 6434 1 1046 . 1 1 105 105 TYR CD1 C 13 131.330 . . 3 . . . . . . . . 6434 1 1047 . 1 1 105 105 TYR HD1 H 1 6.640 0.02 . 3 . . . . . . . . 6434 1 1048 . 1 1 105 105 TYR CE1 C 13 116.120 . . 3 . . . . . . . . 6434 1 1049 . 1 1 105 105 TYR HE1 H 1 6.880 0.02 . 3 . . . . . . . . 6434 1 1050 . 1 1 105 105 TYR C C 13 180.475 . . 1 . . . . . . . . 6434 1 1051 . 1 1 106 106 PRO CA C 13 65.730 . . 1 . . . . . . . . 6434 1 1052 . 1 1 106 106 PRO HA H 1 4.334 0.02 . 1 . . . . . . . . 6434 1 1053 . 1 1 106 106 PRO CB C 13 31.350 . . 1 . . . . . . . . 6434 1 1054 . 1 1 106 106 PRO HB3 H 1 2.378 0.02 . 1 . . . . . . . . 6434 1 1055 . 1 1 106 106 PRO HB2 H 1 2.378 0.02 . 1 . . . . . . . . 6434 1 1056 . 1 1 106 106 PRO CG C 13 28.760 . . 1 . . . . . . . . 6434 1 1057 . 1 1 106 106 PRO HG3 H 1 1.930 0.02 . 1 . . . . . . . . 6434 1 1058 . 1 1 106 106 PRO HG2 H 1 1.930 0.02 . 1 . . . . . . . . 6434 1 1059 . 1 1 106 106 PRO CD C 13 51.360 . . 1 . . . . . . . . 6434 1 1060 . 1 1 106 106 PRO HD3 H 1 3.860 0.02 . 2 . . . . . . . . 6434 1 1061 . 1 1 106 106 PRO HD2 H 1 3.040 0.02 . 2 . . . . . . . . 6434 1 1062 . 1 1 107 107 VAL N N 15 115.773 0.4 . 1 . . . . . . . . 6434 1 1063 . 1 1 107 107 VAL H H 1 6.810 0.02 . 1 . . . . . . . . 6434 1 1064 . 1 1 107 107 VAL CA C 13 64.966 . . 1 . . . . . . . . 6434 1 1065 . 1 1 107 107 VAL HA H 1 3.500 0.02 . 1 . . . . . . . . 6434 1 1066 . 1 1 107 107 VAL CB C 13 31.770 . . 1 . . . . . . . . 6434 1 1067 . 1 1 107 107 VAL HB H 1 2.034 0.02 . 1 . . . . . . . . 6434 1 1068 . 1 1 107 107 VAL CG2 C 13 21.502 . . 1 . . . . . . . . 6434 1 1069 . 1 1 107 107 VAL HG21 H 1 0.721 0.02 . 2 . . . . . . . . 6434 1 1070 . 1 1 107 107 VAL HG22 H 1 0.721 0.02 . 2 . . . . . . . . 6434 1 1071 . 1 1 107 107 VAL HG23 H 1 0.721 0.02 . 2 . . . . . . . . 6434 1 1072 . 1 1 107 107 VAL CG1 C 13 22.160 . . 1 . . . . . . . . 6434 1 1073 . 1 1 107 107 VAL HG11 H 1 0.627 0.02 . 2 . . . . . . . . 6434 1 1074 . 1 1 107 107 VAL HG12 H 1 0.627 0.02 . 2 . . . . . . . . 6434 1 1075 . 1 1 107 107 VAL HG13 H 1 0.627 0.02 . 2 . . . . . . . . 6434 1 1076 . 1 1 107 107 VAL C C 13 176.022 . . 1 . . . . . . . . 6434 1 1077 . 1 1 108 108 MET N N 15 113.035 0.4 . 1 . . . . . . . . 6434 1 1078 . 1 1 108 108 MET H H 1 7.423 0.02 . 1 . . . . . . . . 6434 1 1079 . 1 1 108 108 MET CA C 13 54.630 . . 1 . . . . . . . . 6434 1 1080 . 1 1 108 108 MET HA H 1 4.313 0.02 . 1 . . . . . . . . 6434 1 1081 . 1 1 108 108 MET CB C 13 29.554 . . 1 . . . . . . . . 6434 1 1082 . 1 1 108 108 MET HB3 H 1 2.511 0.02 . 1 . . . . . . . . 6434 1 1083 . 1 1 108 108 MET HB2 H 1 2.511 0.02 . 1 . . . . . . . . 6434 1 1084 . 1 1 108 108 MET CG C 13 29.550 . . 1 . . . . . . . . 6434 1 1085 . 1 1 108 108 MET HG3 H 1 2.855 0.02 . 1 . . . . . . . . 6434 1 1086 . 1 1 108 108 MET HG2 H 1 2.855 0.02 . 1 . . . . . . . . 6434 1 1087 . 1 1 108 108 MET CE C 13 14.364 . . 1 . . . . . . . . 6434 1 1088 . 1 1 108 108 MET HE1 H 1 1.440 0.02 . 1 . . . . . . . . 6434 1 1089 . 1 1 108 108 MET HE2 H 1 1.440 0.02 . 1 . . . . . . . . 6434 1 1090 . 1 1 108 108 MET HE3 H 1 1.440 0.02 . 1 . . . . . . . . 6434 1 1091 . 1 1 108 108 MET C C 13 177.596 . . 1 . . . . . . . . 6434 1 1092 . 1 1 109 109 SER N N 15 111.176 0.4 . 1 . . . . . . . . 6434 1 1093 . 1 1 109 109 SER H H 1 7.329 0.02 . 1 . . . . . . . . 6434 1 1094 . 1 1 109 109 SER CA C 13 59.887 . . 1 . . . . . . . . 6434 1 1095 . 1 1 109 109 SER HA H 1 4.241 0.02 . 1 . . . . . . . . 6434 1 1096 . 1 1 109 109 SER CB C 13 63.764 . . 1 . . . . . . . . 6434 1 1097 . 1 1 109 109 SER HB3 H 1 3.895 0.02 . 1 . . . . . . . . 6434 1 1098 . 1 1 109 109 SER HB2 H 1 3.895 0.02 . 1 . . . . . . . . 6434 1 1099 . 1 1 109 109 SER C C 13 177.326 . . 1 . . . . . . . . 6434 1 1100 . 1 1 110 110 ASP N N 15 120.568 0.4 . 1 . . . . . . . . 6434 1 1101 . 1 1 110 110 ASP H H 1 7.527 0.02 . 1 . . . . . . . . 6434 1 1102 . 1 1 110 110 ASP CA C 13 57.397 . . 1 . . . . . . . . 6434 1 1103 . 1 1 110 110 ASP HA H 1 4.720 0.02 . 1 . . . . . . . . 6434 1 1104 . 1 1 110 110 ASP CB C 13 42.529 . . 1 . . . . . . . . 6434 1 1105 . 1 1 110 110 ASP HB3 H 1 2.730 0.02 . 2 . . . . . . . . 6434 1 1106 . 1 1 110 110 ASP HB2 H 1 2.500 0.02 . 2 . . . . . . . . 6434 1 1107 . 1 1 110 110 ASP C C 13 180.671 . . 1 . . . . . . . . 6434 1 1108 . 1 1 111 111 ILE N N 15 122.800 0.4 . 1 . . . . . . . . 6434 1 1109 . 1 1 111 111 ILE H H 1 8.564 0.02 . 1 . . . . . . . . 6434 1 1110 . 1 1 111 111 ILE CA C 13 58.216 . . 1 . . . . . . . . 6434 1 1111 . 1 1 111 111 ILE HA H 1 4.532 0.02 . 1 . . . . . . . . 6434 1 1112 . 1 1 111 111 ILE CB C 13 38.248 . . 1 . . . . . . . . 6434 1 1113 . 1 1 111 111 ILE HB H 1 1.950 0.02 . 1 . . . . . . . . 6434 1 1114 . 1 1 111 111 ILE HG13 H 1 1.690 0.02 . 1 . . . . . . . . 6434 1 1115 . 1 1 111 111 ILE HG12 H 1 1.690 0.02 . 1 . . . . . . . . 6434 1 1116 . 1 1 111 111 ILE CD1 C 13 14.634 . . 1 . . . . . . . . 6434 1 1117 . 1 1 111 111 ILE HD11 H 1 0.827 0.02 . 1 . . . . . . . . 6434 1 1118 . 1 1 111 111 ILE HD12 H 1 0.827 0.02 . 1 . . . . . . . . 6434 1 1119 . 1 1 111 111 ILE HD13 H 1 0.827 0.02 . 1 . . . . . . . . 6434 1 1120 . 1 1 111 111 ILE CG2 C 13 20.165 . . 1 . . . . . . . . 6434 1 1121 . 1 1 111 111 ILE HG21 H 1 0.927 0.02 . 1 . . . . . . . . 6434 1 1122 . 1 1 111 111 ILE HG22 H 1 0.927 0.02 . 1 . . . . . . . . 6434 1 1123 . 1 1 111 111 ILE HG23 H 1 0.927 0.02 . 1 . . . . . . . . 6434 1 1124 . 1 1 112 112 PRO CA C 13 65.460 . . 1 . . . . . . . . 6434 1 1125 . 1 1 112 112 PRO HA H 1 4.255 0.02 . 1 . . . . . . . . 6434 1 1126 . 1 1 112 112 PRO CB C 13 31.640 . . 1 . . . . . . . . 6434 1 1127 . 1 1 112 112 PRO HB3 H 1 2.360 0.02 . 2 . . . . . . . . 6434 1 1128 . 1 1 112 112 PRO HB2 H 1 1.920 0.02 . 2 . . . . . . . . 6434 1 1129 . 1 1 112 112 PRO CG C 13 29.887 . . 1 . . . . . . . . 6434 1 1130 . 1 1 112 112 PRO HG3 H 1 2.060 0.02 . 2 . . . . . . . . 6434 1 1131 . 1 1 112 112 PRO HG2 H 1 1.990 0.02 . 2 . . . . . . . . 6434 1 1132 . 1 1 112 112 PRO CD C 13 50.979 . . 1 . . . . . . . . 6434 1 1133 . 1 1 112 112 PRO HD3 H 1 3.796 0.02 . 2 . . . . . . . . 6434 1 1134 . 1 1 112 112 PRO HD2 H 1 3.650 0.02 . 2 . . . . . . . . 6434 1 1135 . 1 1 113 113 ALA N N 15 116.970 0.4 . 1 . . . . . . . . 6434 1 1136 . 1 1 113 113 ALA H H 1 8.465 0.02 . 1 . . . . . . . . 6434 1 1137 . 1 1 113 113 ALA CA C 13 54.458 . . 1 . . . . . . . . 6434 1 1138 . 1 1 113 113 ALA HA H 1 4.166 0.02 . 1 . . . . . . . . 6434 1 1139 . 1 1 113 113 ALA CB C 13 18.955 . . 1 . . . . . . . . 6434 1 1140 . 1 1 113 113 ALA HB1 H 1 1.397 0.02 . 1 . . . . . . . . 6434 1 1141 . 1 1 113 113 ALA HB2 H 1 1.397 0.02 . 1 . . . . . . . . 6434 1 1142 . 1 1 113 113 ALA HB3 H 1 1.397 0.02 . 1 . . . . . . . . 6434 1 1143 . 1 1 113 113 ALA C C 13 176.588 . . 1 . . . . . . . . 6434 1 1144 . 1 1 114 114 LEU N N 15 114.590 0.4 . 1 . . . . . . . . 6434 1 1145 . 1 1 114 114 LEU H H 1 7.510 0.02 . 1 . . . . . . . . 6434 1 1146 . 1 1 114 114 LEU CA C 13 56.708 . . 1 . . . . . . . . 6434 1 1147 . 1 1 114 114 LEU HA H 1 4.107 0.02 . 1 . . . . . . . . 6434 1 1148 . 1 1 114 114 LEU CB C 13 41.830 . . 1 . . . . . . . . 6434 1 1149 . 1 1 114 114 LEU HB3 H 1 1.812 0.02 . 2 . . . . . . . . 6434 1 1150 . 1 1 114 114 LEU HB2 H 1 1.437 0.02 . 2 . . . . . . . . 6434 1 1151 . 1 1 114 114 LEU CG C 13 27.202 . . 1 . . . . . . . . 6434 1 1152 . 1 1 114 114 LEU HG H 1 1.523 0.02 . 1 . . . . . . . . 6434 1 1153 . 1 1 114 114 LEU CD1 C 13 24.220 . . 1 . . . . . . . . 6434 1 1154 . 1 1 114 114 LEU HD11 H 1 0.817 0.02 . 2 . . . . . . . . 6434 1 1155 . 1 1 114 114 LEU HD12 H 1 0.817 0.02 . 2 . . . . . . . . 6434 1 1156 . 1 1 114 114 LEU HD13 H 1 0.817 0.02 . 2 . . . . . . . . 6434 1 1157 . 1 1 114 114 LEU CD2 C 13 24.220 . . 1 . . . . . . . . 6434 1 1158 . 1 1 114 114 LEU HD21 H 1 0.710 0.02 . 2 . . . . . . . . 6434 1 1159 . 1 1 114 114 LEU HD22 H 1 0.710 0.02 . 2 . . . . . . . . 6434 1 1160 . 1 1 114 114 LEU HD23 H 1 0.710 0.02 . 2 . . . . . . . . 6434 1 1161 . 1 1 114 114 LEU C C 13 174.817 . . 1 . . . . . . . . 6434 1 1162 . 1 1 115 115 SER N N 15 114.429 0.4 . 1 . . . . . . . . 6434 1 1163 . 1 1 115 115 SER H H 1 7.931 0.02 . 1 . . . . . . . . 6434 1 1164 . 1 1 115 115 SER CA C 13 60.028 . . 1 . . . . . . . . 6434 1 1165 . 1 1 115 115 SER HA H 1 4.111 0.02 . 1 . . . . . . . . 6434 1 1166 . 1 1 115 115 SER CB C 13 64.351 . . 1 . . . . . . . . 6434 1 1167 . 1 1 115 115 SER HB3 H 1 3.900 0.02 . 1 . . . . . . . . 6434 1 1168 . 1 1 115 115 SER HB2 H 1 3.900 0.02 . 1 . . . . . . . . 6434 1 1169 . 1 1 115 115 SER C C 13 176.243 . . 1 . . . . . . . . 6434 1 1170 . 1 1 116 116 ASP N N 15 116.879 0.4 . 1 . . . . . . . . 6434 1 1171 . 1 1 116 116 ASP H H 1 7.765 0.02 . 1 . . . . . . . . 6434 1 1172 . 1 1 116 116 ASP CA C 13 55.704 . . 1 . . . . . . . . 6434 1 1173 . 1 1 116 116 ASP HA H 1 4.628 0.02 . 1 . . . . . . . . 6434 1 1174 . 1 1 116 116 ASP CB C 13 41.153 . . 1 . . . . . . . . 6434 1 1175 . 1 1 116 116 ASP HB3 H 1 2.707 0.02 . 2 . . . . . . . . 6434 1 1176 . 1 1 116 116 ASP HB2 H 1 2.569 0.02 . 2 . . . . . . . . 6434 1 1177 . 1 1 116 116 ASP C C 13 179.417 . . 1 . . . . . . . . 6434 1 1178 . 1 1 117 117 LEU N N 15 117.441 0.4 . 1 . . . . . . . . 6434 1 1179 . 1 1 117 117 LEU H H 1 7.736 0.02 . 1 . . . . . . . . 6434 1 1180 . 1 1 117 117 LEU CA C 13 56.124 . . 1 . . . . . . . . 6434 1 1181 . 1 1 117 117 LEU HA H 1 4.448 0.02 . 1 . . . . . . . . 6434 1 1182 . 1 1 117 117 LEU CB C 13 45.914 . . 1 . . . . . . . . 6434 1 1183 . 1 1 117 117 LEU HB3 H 1 1.901 0.02 . 2 . . . . . . . . 6434 1 1184 . 1 1 117 117 LEU HB2 H 1 1.420 0.02 . 2 . . . . . . . . 6434 1 1185 . 1 1 117 117 LEU CG C 13 26.435 . . 1 . . . . . . . . 6434 1 1186 . 1 1 117 117 LEU HG H 1 1.794 0.02 . 1 . . . . . . . . 6434 1 1187 . 1 1 117 117 LEU CD1 C 13 26.089 . . 1 . . . . . . . . 6434 1 1188 . 1 1 117 117 LEU HD11 H 1 0.785 0.02 . 2 . . . . . . . . 6434 1 1189 . 1 1 117 117 LEU HD12 H 1 0.785 0.02 . 2 . . . . . . . . 6434 1 1190 . 1 1 117 117 LEU HD13 H 1 0.785 0.02 . 2 . . . . . . . . 6434 1 1191 . 1 1 117 117 LEU CD2 C 13 25.668 . . 1 . . . . . . . . 6434 1 1192 . 1 1 117 117 LEU HD21 H 1 0.831 0.02 . 2 . . . . . . . . 6434 1 1193 . 1 1 117 117 LEU HD22 H 1 0.831 0.02 . 2 . . . . . . . . 6434 1 1194 . 1 1 117 117 LEU HD23 H 1 0.831 0.02 . 2 . . . . . . . . 6434 1 1195 . 1 1 117 117 LEU C C 13 178.015 . . 1 . . . . . . . . 6434 1 1196 . 1 1 118 118 ILE N N 15 111.329 0.4 . 1 . . . . . . . . 6434 1 1197 . 1 1 118 118 ILE H H 1 7.461 0.02 . 1 . . . . . . . . 6434 1 1198 . 1 1 118 118 ILE CA C 13 59.737 . . 1 . . . . . . . . 6434 1 1199 . 1 1 118 118 ILE HA H 1 5.057 0.02 . 1 . . . . . . . . 6434 1 1200 . 1 1 118 118 ILE CB C 13 41.386 . . 1 . . . . . . . . 6434 1 1201 . 1 1 118 118 ILE HB H 1 2.460 0.02 . 1 . . . . . . . . 6434 1 1202 . 1 1 118 118 ILE CG1 C 13 27.860 . . 2 . . . . . . . . 6434 1 1203 . 1 1 118 118 ILE CD1 C 13 14.750 . . 1 . . . . . . . . 6434 1 1204 . 1 1 118 118 ILE HD11 H 1 0.771 0.02 . 1 . . . . . . . . 6434 1 1205 . 1 1 118 118 ILE HD12 H 1 0.771 0.02 . 1 . . . . . . . . 6434 1 1206 . 1 1 118 118 ILE HD13 H 1 0.771 0.02 . 1 . . . . . . . . 6434 1 1207 . 1 1 118 118 ILE CG2 C 13 19.149 . . 1 . . . . . . . . 6434 1 1208 . 1 1 118 118 ILE HG21 H 1 0.846 0.02 . 1 . . . . . . . . 6434 1 1209 . 1 1 118 118 ILE HG22 H 1 0.846 0.02 . 1 . . . . . . . . 6434 1 1210 . 1 1 118 118 ILE HG23 H 1 0.846 0.02 . 1 . . . . . . . . 6434 1 1211 . 1 1 118 118 ILE C C 13 177.326 . . 1 . . . . . . . . 6434 1 1212 . 1 1 119 119 THR N N 15 112.865 0.4 . 1 . . . . . . . . 6434 1 1213 . 1 1 119 119 THR H H 1 9.283 0.02 . 1 . . . . . . . . 6434 1 1214 . 1 1 119 119 THR CA C 13 62.424 . . 1 . . . . . . . . 6434 1 1215 . 1 1 119 119 THR HA H 1 4.520 0.02 . 1 . . . . . . . . 6434 1 1216 . 1 1 119 119 THR CB C 13 69.488 . . 1 . . . . . . . . 6434 1 1217 . 1 1 119 119 THR HB H 1 4.210 0.02 . 1 . . . . . . . . 6434 1 1218 . 1 1 119 119 THR CG2 C 13 22.414 . . 1 . . . . . . . . 6434 1 1219 . 1 1 119 119 THR HG21 H 1 1.217 0.02 . 1 . . . . . . . . 6434 1 1220 . 1 1 119 119 THR HG22 H 1 1.217 0.02 . 1 . . . . . . . . 6434 1 1221 . 1 1 119 119 THR HG23 H 1 1.217 0.02 . 1 . . . . . . . . 6434 1 1222 . 1 1 119 119 THR C C 13 179.540 . . 1 . . . . . . . . 6434 1 1223 . 1 1 120 120 SER N N 15 113.857 0.4 . 1 . . . . . . . . 6434 1 1224 . 1 1 120 120 SER H H 1 7.705 0.02 . 1 . . . . . . . . 6434 1 1225 . 1 1 120 120 SER CA C 13 58.507 . . 1 . . . . . . . . 6434 1 1226 . 1 1 120 120 SER HA H 1 4.630 0.02 . 1 . . . . . . . . 6434 1 1227 . 1 1 120 120 SER CB C 13 65.657 . . 1 . . . . . . . . 6434 1 1228 . 1 1 120 120 SER HB3 H 1 3.956 0.02 . 2 . . . . . . . . 6434 1 1229 . 1 1 120 120 SER HB2 H 1 3.829 0.02 . 2 . . . . . . . . 6434 1 1230 . 1 1 120 120 SER C C 13 179.234 . . 1 . . . . . . . . 6434 1 1231 . 1 1 121 121 MET N N 15 120.910 0.4 . 1 . . . . . . . . 6434 1 1232 . 1 1 121 121 MET H H 1 8.558 0.02 . 1 . . . . . . . . 6434 1 1233 . 1 1 121 121 MET CA C 13 56.080 . . 1 . . . . . . . . 6434 1 1234 . 1 1 121 121 MET HA H 1 5.129 0.02 . 1 . . . . . . . . 6434 1 1235 . 1 1 121 121 MET CB C 13 36.063 . . 1 . . . . . . . . 6434 1 1236 . 1 1 121 121 MET HB3 H 1 1.973 0.02 . 2 . . . . . . . . 6434 1 1237 . 1 1 121 121 MET HB2 H 1 1.827 0.02 . 2 . . . . . . . . 6434 1 1238 . 1 1 121 121 MET CG C 13 31.804 . . 1 . . . . . . . . 6434 1 1239 . 1 1 121 121 MET HG3 H 1 2.117 0.02 . 1 . . . . . . . . 6434 1 1240 . 1 1 121 121 MET HG2 H 1 2.117 0.02 . 1 . . . . . . . . 6434 1 1241 . 1 1 121 121 MET C C 13 170.712 . . 1 . . . . . . . . 6434 1 1242 . 1 1 122 122 VAL N N 15 124.871 0.4 . 1 . . . . . . . . 6434 1 1243 . 1 1 122 122 VAL H H 1 8.714 0.02 . 1 . . . . . . . . 6434 1 1244 . 1 1 122 122 VAL CA C 13 60.485 . . 1 . . . . . . . . 6434 1 1245 . 1 1 122 122 VAL HA H 1 4.538 0.02 . 1 . . . . . . . . 6434 1 1246 . 1 1 122 122 VAL CB C 13 35.393 . . 1 . . . . . . . . 6434 1 1247 . 1 1 122 122 VAL HB H 1 2.024 0.02 . 1 . . . . . . . . 6434 1 1248 . 1 1 122 122 VAL CG2 C 13 20.695 . . 1 . . . . . . . . 6434 1 1249 . 1 1 122 122 VAL HG21 H 1 0.963 0.02 . 1 . . . . . . . . 6434 1 1250 . 1 1 122 122 VAL HG22 H 1 0.963 0.02 . 1 . . . . . . . . 6434 1 1251 . 1 1 122 122 VAL HG23 H 1 0.963 0.02 . 1 . . . . . . . . 6434 1 1252 . 1 1 122 122 VAL CG1 C 13 20.300 . . 1 . . . . . . . . 6434 1 1253 . 1 1 122 122 VAL HG11 H 1 0.963 0.02 . 1 . . . . . . . . 6434 1 1254 . 1 1 122 122 VAL HG12 H 1 0.963 0.02 . 1 . . . . . . . . 6434 1 1255 . 1 1 122 122 VAL HG13 H 1 0.963 0.02 . 1 . . . . . . . . 6434 1 1256 . 1 1 122 122 VAL C C 13 181.000 . . 1 . . . . . . . . 6434 1 1257 . 1 1 123 123 ALA N N 15 131.949 0.4 . 1 . . . . . . . . 6434 1 1258 . 1 1 123 123 ALA H H 1 9.097 0.02 . 1 . . . . . . . . 6434 1 1259 . 1 1 123 123 ALA CA C 13 53.877 . . 1 . . . . . . . . 6434 1 1260 . 1 1 123 123 ALA HA H 1 3.926 0.02 . 1 . . . . . . . . 6434 1 1261 . 1 1 123 123 ALA CB C 13 17.771 . . 1 . . . . . . . . 6434 1 1262 . 1 1 123 123 ALA HB1 H 1 1.244 0.02 . 1 . . . . . . . . 6434 1 1263 . 1 1 123 123 ALA HB2 H 1 1.244 0.02 . 1 . . . . . . . . 6434 1 1264 . 1 1 123 123 ALA HB3 H 1 1.244 0.02 . 1 . . . . . . . . 6434 1 1265 . 1 1 123 123 ALA C C 13 180.011 . . 1 . . . . . . . . 6434 1 1266 . 1 1 124 124 SER N N 15 119.020 0.4 . 1 . . . . . . . . 6434 1 1267 . 1 1 124 124 SER H H 1 9.041 0.02 . 1 . . . . . . . . 6434 1 1268 . 1 1 124 124 SER CA C 13 58.282 . . 1 . . . . . . . . 6434 1 1269 . 1 1 124 124 SER HA H 1 4.610 0.02 . 1 . . . . . . . . 6434 1 1270 . 1 1 124 124 SER CB C 13 64.891 . . 1 . . . . . . . . 6434 1 1271 . 1 1 124 124 SER HB3 H 1 3.568 0.02 . 2 . . . . . . . . 6434 1 1272 . 1 1 124 124 SER HB2 H 1 3.673 0.02 . 2 . . . . . . . . 6434 1 1273 . 1 1 124 124 SER C C 13 175.307 . . 1 . . . . . . . . 6434 1 1274 . 1 1 125 125 GLY N N 15 109.258 0.4 . 1 . . . . . . . . 6434 1 1275 . 1 1 125 125 GLY H H 1 7.654 0.02 . 1 . . . . . . . . 6434 1 1276 . 1 1 125 125 GLY CA C 13 45.288 . . 1 . . . . . . . . 6434 1 1277 . 1 1 125 125 GLY HA3 H 1 4.109 0.02 . 2 . . . . . . . . 6434 1 1278 . 1 1 125 125 GLY HA2 H 1 3.910 0.02 . 2 . . . . . . . . 6434 1 1279 . 1 1 125 125 GLY C C 13 180.401 . . 1 . . . . . . . . 6434 1 1280 . 1 1 126 126 TYR N N 15 121.097 0.4 . 1 . . . . . . . . 6434 1 1281 . 1 1 126 126 TYR H H 1 8.076 0.02 . 1 . . . . . . . . 6434 1 1282 . 1 1 126 126 TYR CA C 13 57.877 . . 1 . . . . . . . . 6434 1 1283 . 1 1 126 126 TYR HA H 1 5.244 0.02 . 1 . . . . . . . . 6434 1 1284 . 1 1 126 126 TYR CB C 13 40.334 . . 1 . . . . . . . . 6434 1 1285 . 1 1 126 126 TYR HB3 H 1 2.764 0.02 . 2 . . . . . . . . 6434 1 1286 . 1 1 126 126 TYR HB2 H 1 2.715 0.02 . 2 . . . . . . . . 6434 1 1287 . 1 1 126 126 TYR CD1 C 13 131.330 . . 3 . . . . . . . . 6434 1 1288 . 1 1 126 126 TYR HD1 H 1 6.770 0.02 . 3 . . . . . . . . 6434 1 1289 . 1 1 126 126 TYR CE1 C 13 116.120 . . 3 . . . . . . . . 6434 1 1290 . 1 1 126 126 TYR HE1 H 1 6.820 0.02 . 3 . . . . . . . . 6434 1 1291 . 1 1 126 126 TYR C C 13 170.773 . . 1 . . . . . . . . 6434 1 1292 . 1 1 127 127 ASP N N 15 124.511 0.4 . 1 . . . . . . . . 6434 1 1293 . 1 1 127 127 ASP H H 1 7.932 0.02 . 1 . . . . . . . . 6434 1 1294 . 1 1 127 127 ASP CA C 13 52.469 . . 1 . . . . . . . . 6434 1 1295 . 1 1 127 127 ASP HA H 1 4.770 0.02 . 1 . . . . . . . . 6434 1 1296 . 1 1 127 127 ASP CB C 13 45.326 . . 1 . . . . . . . . 6434 1 1297 . 1 1 127 127 ASP HB3 H 1 2.492 0.02 . 2 . . . . . . . . 6434 1 1298 . 1 1 127 127 ASP HB2 H 1 2.335 0.02 . 2 . . . . . . . . 6434 1 1299 . 1 1 127 127 ASP C C 13 181.286 . . 1 . . . . . . . . 6434 1 1300 . 1 1 128 128 TYR N N 15 120.456 0.4 . 1 . . . . . . . . 6434 1 1301 . 1 1 128 128 TYR H H 1 8.472 0.02 . 1 . . . . . . . . 6434 1 1302 . 1 1 128 128 TYR CA C 13 56.690 . . 1 . . . . . . . . 6434 1 1303 . 1 1 128 128 TYR HA H 1 5.486 0.02 . 1 . . . . . . . . 6434 1 1304 . 1 1 128 128 TYR CB C 13 39.675 . . 1 . . . . . . . . 6434 1 1305 . 1 1 128 128 TYR HB3 H 1 3.210 0.02 . 2 . . . . . . . . 6434 1 1306 . 1 1 128 128 TYR HB2 H 1 2.690 0.02 . 2 . . . . . . . . 6434 1 1307 . 1 1 128 128 TYR CD1 C 13 131.330 . . 3 . . . . . . . . 6434 1 1308 . 1 1 128 128 TYR HD1 H 1 7.090 0.02 . 3 . . . . . . . . 6434 1 1309 . 1 1 128 128 TYR CE1 C 13 116.120 . . 3 . . . . . . . . 6434 1 1310 . 1 1 128 128 TYR HE1 H 1 6.770 0.02 . 3 . . . . . . . . 6434 1 1311 . 1 1 128 128 TYR C C 13 180.868 . . 1 . . . . . . . . 6434 1 1312 . 1 1 129 129 ARG N N 15 122.959 0.4 . 1 . . . . . . . . 6434 1 1313 . 1 1 129 129 ARG H H 1 9.069 0.02 . 1 . . . . . . . . 6434 1 1314 . 1 1 129 129 ARG CA C 13 54.667 . . 1 . . . . . . . . 6434 1 1315 . 1 1 129 129 ARG HA H 1 4.790 0.02 . 1 . . . . . . . . 6434 1 1316 . 1 1 129 129 ARG CB C 13 32.288 . . 1 . . . . . . . . 6434 1 1317 . 1 1 129 129 ARG HB3 H 1 1.880 0.02 . 2 . . . . . . . . 6434 1 1318 . 1 1 129 129 ARG HB2 H 1 1.884 0.02 . 2 . . . . . . . . 6434 1 1319 . 1 1 129 129 ARG CG C 13 27.788 . . 1 . . . . . . . . 6434 1 1320 . 1 1 129 129 ARG HG3 H 1 1.610 0.02 . 1 . . . . . . . . 6434 1 1321 . 1 1 129 129 ARG HG2 H 1 1.610 0.02 . 1 . . . . . . . . 6434 1 1322 . 1 1 129 129 ARG CD C 13 42.507 . . 1 . . . . . . . . 6434 1 1323 . 1 1 129 129 ARG HD3 H 1 3.410 0.02 . 1 . . . . . . . . 6434 1 1324 . 1 1 129 129 ARG HD2 H 1 3.410 0.02 . 1 . . . . . . . . 6434 1 1325 . 1 1 129 129 ARG NE N 15 85.654 0.4 . 1 . . . . . . . . 6434 1 1326 . 1 1 129 129 ARG HE H 1 8.670 0.02 . 1 . . . . . . . . 6434 1 1327 . 1 1 129 129 ARG C C 13 177.980 . . 1 . . . . . . . . 6434 1 1328 . 1 1 130 130 ARG N N 15 117.583 0.4 . 1 . . . . . . . . 6434 1 1329 . 1 1 130 130 ARG H H 1 8.463 0.02 . 1 . . . . . . . . 6434 1 1330 . 1 1 130 130 ARG CA C 13 53.920 . . 1 . . . . . . . . 6434 1 1331 . 1 1 130 130 ARG HA H 1 4.532 0.02 . 1 . . . . . . . . 6434 1 1332 . 1 1 130 130 ARG CB C 13 33.079 . . 1 . . . . . . . . 6434 1 1333 . 1 1 130 130 ARG HB3 H 1 1.756 0.02 . 2 . . . . . . . . 6434 1 1334 . 1 1 130 130 ARG HB2 H 1 1.611 0.02 . 2 . . . . . . . . 6434 1 1335 . 1 1 130 130 ARG CG C 13 26.435 . . 1 . . . . . . . . 6434 1 1336 . 1 1 130 130 ARG HG3 H 1 1.520 0.02 . 1 . . . . . . . . 6434 1 1337 . 1 1 130 130 ARG HG2 H 1 1.520 0.02 . 1 . . . . . . . . 6434 1 1338 . 1 1 130 130 ARG CD C 13 42.542 . . 1 . . . . . . . . 6434 1 1339 . 1 1 130 130 ARG HD3 H 1 3.070 0.02 . 1 . . . . . . . . 6434 1 1340 . 1 1 130 130 ARG HD2 H 1 3.070 0.02 . 1 . . . . . . . . 6434 1 1341 . 1 1 130 130 ARG NE N 15 111.340 0.4 . 1 . . . . . . . . 6434 1 1342 . 1 1 130 130 ARG HE H 1 6.990 0.02 . 1 . . . . . . . . 6434 1 1343 . 1 1 130 130 ARG C C 13 180.499 . . 1 . . . . . . . . 6434 1 1344 . 1 1 131 131 ASP N N 15 117.093 0.4 . 1 . . . . . . . . 6434 1 1345 . 1 1 131 131 ASP H H 1 6.415 0.02 . 1 . . . . . . . . 6434 1 1346 . 1 1 131 131 ASP CA C 13 52.507 . . 1 . . . . . . . . 6434 1 1347 . 1 1 131 131 ASP HA H 1 3.758 0.02 . 1 . . . . . . . . 6434 1 1348 . 1 1 131 131 ASP CB C 13 39.338 . . 1 . . . . . . . . 6434 1 1349 . 1 1 131 131 ASP HB3 H 1 2.817 0.02 . 2 . . . . . . . . 6434 1 1350 . 1 1 131 131 ASP HB2 H 1 2.633 0.02 . 2 . . . . . . . . 6434 1 1351 . 1 1 131 131 ASP C C 13 179.958 . . 1 . . . . . . . . 6434 1 1352 . 1 1 132 132 ASP N N 15 128.341 0.4 . 1 . . . . . . . . 6434 1 1353 . 1 1 132 132 ASP H H 1 8.086 0.02 . 1 . . . . . . . . 6434 1 1354 . 1 1 132 132 ASP CA C 13 55.863 . . 1 . . . . . . . . 6434 1 1355 . 1 1 132 132 ASP HA H 1 4.330 0.02 . 1 . . . . . . . . 6434 1 1356 . 1 1 132 132 ASP CB C 13 41.059 . . 1 . . . . . . . . 6434 1 1357 . 1 1 132 132 ASP HB3 H 1 2.670 0.02 . 2 . . . . . . . . 6434 1 1358 . 1 1 132 132 ASP HB2 H 1 2.520 0.02 . 2 . . . . . . . . 6434 1 1359 . 1 1 132 132 ASP C C 13 178.334 . . 1 . . . . . . . . 6434 1 1360 . 1 1 133 133 ASP N N 15 118.764 0.4 . 1 . . . . . . . . 6434 1 1361 . 1 1 133 133 ASP H H 1 7.996 0.02 . 1 . . . . . . . . 6434 1 1362 . 1 1 133 133 ASP CA C 13 56.552 . . 1 . . . . . . . . 6434 1 1363 . 1 1 133 133 ASP HA H 1 4.494 0.02 . 1 . . . . . . . . 6434 1 1364 . 1 1 133 133 ASP CB C 13 41.748 . . 1 . . . . . . . . 6434 1 1365 . 1 1 133 133 ASP HB3 H 1 2.758 0.02 . 2 . . . . . . . . 6434 1 1366 . 1 1 133 133 ASP HB2 H 1 2.731 0.02 . 2 . . . . . . . . 6434 1 1367 . 1 1 133 133 ASP C C 13 178.826 . . 1 . . . . . . . . 6434 1 1368 . 1 1 134 134 ALA N N 15 119.424 0.4 . 1 . . . . . . . . 6434 1 1369 . 1 1 134 134 ALA H H 1 7.939 0.02 . 1 . . . . . . . . 6434 1 1370 . 1 1 134 134 ALA CA C 13 51.866 . . 1 . . . . . . . . 6434 1 1371 . 1 1 134 134 ALA HA H 1 4.560 0.02 . 1 . . . . . . . . 6434 1 1372 . 1 1 134 134 ALA CB C 13 20.557 . . 1 . . . . . . . . 6434 1 1373 . 1 1 134 134 ALA HB1 H 1 1.472 0.02 . 1 . . . . . . . . 6434 1 1374 . 1 1 134 134 ALA HB2 H 1 1.472 0.02 . 1 . . . . . . . . 6434 1 1375 . 1 1 134 134 ALA HB3 H 1 1.472 0.02 . 1 . . . . . . . . 6434 1 1376 . 1 1 134 134 ALA C C 13 177.998 . . 1 . . . . . . . . 6434 1 1377 . 1 1 135 135 GLY N N 15 107.858 0.4 . 1 . . . . . . . . 6434 1 1378 . 1 1 135 135 GLY H H 1 7.406 0.02 . 1 . . . . . . . . 6434 1 1379 . 1 1 135 135 GLY CA C 13 47.269 . . 1 . . . . . . . . 6434 1 1380 . 1 1 135 135 GLY HA3 H 1 3.879 0.02 . 2 . . . . . . . . 6434 1 1381 . 1 1 135 135 GLY HA2 H 1 3.719 0.02 . 2 . . . . . . . . 6434 1 1382 . 1 1 135 135 GLY C C 13 176.861 . . 1 . . . . . . . . 6434 1 1383 . 1 1 136 136 LEU N N 15 118.448 0.4 . 1 . . . . . . . . 6434 1 1384 . 1 1 136 136 LEU H H 1 9.443 0.02 . 1 . . . . . . . . 6434 1 1385 . 1 1 136 136 LEU CA C 13 59.905 . . 1 . . . . . . . . 6434 1 1386 . 1 1 136 136 LEU HA H 1 4.340 0.02 . 1 . . . . . . . . 6434 1 1387 . 1 1 136 136 LEU CB C 13 42.986 . . 1 . . . . . . . . 6434 1 1388 . 1 1 136 136 LEU HB3 H 1 1.984 0.02 . 2 . . . . . . . . 6434 1 1389 . 1 1 136 136 LEU HB2 H 1 1.827 0.02 . 2 . . . . . . . . 6434 1 1390 . 1 1 136 136 LEU CG C 13 26.818 . . 1 . . . . . . . . 6434 1 1391 . 1 1 136 136 LEU HG H 1 1.689 0.02 . 1 . . . . . . . . 6434 1 1392 . 1 1 136 136 LEU CD1 C 13 24.560 . . 1 . . . . . . . . 6434 1 1393 . 1 1 136 136 LEU HD11 H 1 1.086 0.02 . 2 . . . . . . . . 6434 1 1394 . 1 1 136 136 LEU HD12 H 1 1.086 0.02 . 2 . . . . . . . . 6434 1 1395 . 1 1 136 136 LEU HD13 H 1 1.086 0.02 . 2 . . . . . . . . 6434 1 1396 . 1 1 136 136 LEU CD2 C 13 22.930 . . 1 . . . . . . . . 6434 1 1397 . 1 1 136 136 LEU HD21 H 1 0.978 0.02 . 2 . . . . . . . . 6434 1 1398 . 1 1 136 136 LEU HD22 H 1 0.978 0.02 . 2 . . . . . . . . 6434 1 1399 . 1 1 136 136 LEU HD23 H 1 0.978 0.02 . 2 . . . . . . . . 6434 1 1400 . 1 1 136 136 LEU C C 13 179.513 . . 1 . . . . . . . . 6434 1 1401 . 1 1 137 137 TRP N N 15 114.039 0.4 . 1 . . . . . . . . 6434 1 1402 . 1 1 137 137 TRP H H 1 6.756 0.02 . 1 . . . . . . . . 6434 1 1403 . 1 1 137 137 TRP CA C 13 54.356 . . 1 . . . . . . . . 6434 1 1404 . 1 1 137 137 TRP HA H 1 5.365 0.02 . 1 . . . . . . . . 6434 1 1405 . 1 1 137 137 TRP CB C 13 33.190 . . 1 . . . . . . . . 6434 1 1406 . 1 1 137 137 TRP HB3 H 1 3.266 0.02 . 2 . . . . . . . . 6434 1 1407 . 1 1 137 137 TRP HB2 H 1 3.015 0.02 . 2 . . . . . . . . 6434 1 1408 . 1 1 137 137 TRP HD1 H 1 6.940 0.02 . 1 . . . . . . . . 6434 1 1409 . 1 1 137 137 TRP NE1 N 15 130.190 0.4 . 1 . . . . . . . . 6434 1 1410 . 1 1 137 137 TRP HE1 H 1 10.067 0.02 . 3 . . . . . . . . 6434 1 1411 . 1 1 137 137 TRP CZ2 C 13 112.310 . . 3 . . . . . . . . 6434 1 1412 . 1 1 137 137 TRP HZ2 H 1 7.500 0.02 . 3 . . . . . . . . 6434 1 1413 . 1 1 137 137 TRP CH2 C 13 122.280 . . 1 . . . . . . . . 6434 1 1414 . 1 1 137 137 TRP HH2 H 1 6.980 0.02 . 1 . . . . . . . . 6434 1 1415 . 1 1 137 137 TRP CZ3 C 13 119.570 . . 3 . . . . . . . . 6434 1 1416 . 1 1 137 137 TRP HZ3 H 1 6.990 0.02 . 3 . . . . . . . . 6434 1 1417 . 1 1 137 137 TRP CE3 C 13 118.840 . . 3 . . . . . . . . 6434 1 1418 . 1 1 137 137 TRP HE3 H 1 6.990 0.02 . 3 . . . . . . . . 6434 1 1419 . 1 1 137 137 TRP C C 13 176.881 . . 1 . . . . . . . . 6434 1 1420 . 1 1 138 138 SER N N 15 117.403 0.4 . 1 . . . . . . . . 6434 1 1421 . 1 1 138 138 SER H H 1 9.247 0.02 . 1 . . . . . . . . 6434 1 1422 . 1 1 138 138 SER CA C 13 58.282 . . 1 . . . . . . . . 6434 1 1423 . 1 1 138 138 SER HA H 1 5.020 0.02 . 1 . . . . . . . . 6434 1 1424 . 1 1 138 138 SER CB C 13 66.998 . . 1 . . . . . . . . 6434 1 1425 . 1 1 138 138 SER HB3 H 1 3.880 0.02 . 2 . . . . . . . . 6434 1 1426 . 1 1 138 138 SER HB2 H 1 3.652 0.02 . 2 . . . . . . . . 6434 1 1427 . 1 1 138 138 SER C C 13 179.353 . . 1 . . . . . . . . 6434 1 1428 . 1 1 139 139 SER N N 15 121.008 0.4 . 1 . . . . . . . . 6434 1 1429 . 1 1 139 139 SER H H 1 9.824 0.02 . 1 . . . . . . . . 6434 1 1430 . 1 1 139 139 SER CA C 13 56.271 . . 1 . . . . . . . . 6434 1 1431 . 1 1 139 139 SER HA H 1 5.970 0.02 . 1 . . . . . . . . 6434 1 1432 . 1 1 139 139 SER CB C 13 68.147 . . 1 . . . . . . . . 6434 1 1433 . 1 1 139 139 SER HB3 H 1 3.010 0.02 . 2 . . . . . . . . 6434 1 1434 . 1 1 139 139 SER HB2 H 1 2.980 0.02 . 2 . . . . . . . . 6434 1 1435 . 1 1 139 139 SER C C 13 171.101 . . 1 . . . . . . . . 6434 1 1436 . 1 1 140 140 ALA N N 15 119.998 0.4 . 1 . . . . . . . . 6434 1 1437 . 1 1 140 140 ALA H H 1 8.107 0.02 . 1 . . . . . . . . 6434 1 1438 . 1 1 140 140 ALA CA C 13 50.525 . . 1 . . . . . . . . 6434 1 1439 . 1 1 140 140 ALA HA H 1 4.960 0.02 . 1 . . . . . . . . 6434 1 1440 . 1 1 140 140 ALA CB C 13 22.463 . . 1 . . . . . . . . 6434 1 1441 . 1 1 140 140 ALA HB1 H 1 1.139 0.02 . 1 . . . . . . . . 6434 1 1442 . 1 1 140 140 ALA HB2 H 1 1.139 0.02 . 1 . . . . . . . . 6434 1 1443 . 1 1 140 140 ALA HB3 H 1 1.139 0.02 . 1 . . . . . . . . 6434 1 1444 . 1 1 140 140 ALA C C 13 180.861 . . 1 . . . . . . . . 6434 1 1445 . 1 1 141 141 ASP N N 15 121.687 0.4 . 1 . . . . . . . . 6434 1 1446 . 1 1 141 141 ASP H H 1 8.771 0.02 . 1 . . . . . . . . 6434 1 1447 . 1 1 141 141 ASP CA C 13 52.728 . . 1 . . . . . . . . 6434 1 1448 . 1 1 141 141 ASP HA H 1 4.670 0.02 . 1 . . . . . . . . 6434 1 1449 . 1 1 141 141 ASP CB C 13 42.480 . . 1 . . . . . . . . 6434 1 1450 . 1 1 141 141 ASP HB3 H 1 2.183 0.02 . 2 . . . . . . . . 6434 1 1451 . 1 1 141 141 ASP HB2 H 1 2.656 0.02 . 2 . . . . . . . . 6434 1 1452 . 1 1 141 141 ASP C C 13 180.808 . . 1 . . . . . . . . 6434 1 1453 . 1 1 142 142 LEU N N 15 133.115 0.4 . 1 . . . . . . . . 6434 1 1454 . 1 1 142 142 LEU H H 1 8.953 0.02 . 1 . . . . . . . . 6434 1 1455 . 1 1 142 142 LEU CA C 13 54.347 . . 1 . . . . . . . . 6434 1 1456 . 1 1 142 142 LEU HA H 1 4.770 0.02 . 1 . . . . . . . . 6434 1 1457 . 1 1 142 142 LEU CB C 13 44.419 . . 1 . . . . . . . . 6434 1 1458 . 1 1 142 142 LEU HB3 H 1 1.490 0.02 . 2 . . . . . . . . 6434 1 1459 . 1 1 142 142 LEU HB2 H 1 2.410 0.02 . 2 . . . . . . . . 6434 1 1460 . 1 1 142 142 LEU CG C 13 27.279 . . 1 . . . . . . . . 6434 1 1461 . 1 1 142 142 LEU CD1 C 13 26.180 . . 1 . . . . . . . . 6434 1 1462 . 1 1 142 142 LEU HD11 H 1 1.030 0.02 . 2 . . . . . . . . 6434 1 1463 . 1 1 142 142 LEU HD12 H 1 1.030 0.02 . 2 . . . . . . . . 6434 1 1464 . 1 1 142 142 LEU HD13 H 1 1.030 0.02 . 2 . . . . . . . . 6434 1 1465 . 1 1 142 142 LEU CD2 C 13 22.600 . . 1 . . . . . . . . 6434 1 1466 . 1 1 142 142 LEU HD21 H 1 0.928 0.02 . 2 . . . . . . . . 6434 1 1467 . 1 1 142 142 LEU HD22 H 1 0.928 0.02 . 2 . . . . . . . . 6434 1 1468 . 1 1 142 142 LEU HD23 H 1 0.928 0.02 . 2 . . . . . . . . 6434 1 1469 . 1 1 142 142 LEU C C 13 179.911 . . 1 . . . . . . . . 6434 1 1470 . 1 1 143 143 THR N N 15 116.826 0.4 . 1 . . . . . . . . 6434 1 1471 . 1 1 143 143 THR H H 1 8.069 0.02 . 1 . . . . . . . . 6434 1 1472 . 1 1 143 143 THR CA C 13 59.982 . . 1 . . . . . . . . 6434 1 1473 . 1 1 143 143 THR HA H 1 5.049 0.02 . 1 . . . . . . . . 6434 1 1474 . 1 1 143 143 THR CB C 13 70.805 . . 1 . . . . . . . . 6434 1 1475 . 1 1 143 143 THR HB H 1 3.416 0.02 . 1 . . . . . . . . 6434 1 1476 . 1 1 143 143 THR CG2 C 13 21.268 . . 1 . . . . . . . . 6434 1 1477 . 1 1 143 143 THR HG21 H 1 0.380 0.02 . 1 . . . . . . . . 6434 1 1478 . 1 1 143 143 THR HG22 H 1 0.380 0.02 . 1 . . . . . . . . 6434 1 1479 . 1 1 143 143 THR HG23 H 1 0.380 0.02 . 1 . . . . . . . . 6434 1 1480 . 1 1 143 143 THR C C 13 180.868 . . 1 . . . . . . . . 6434 1 1481 . 1 1 144 144 TYR N N 15 121.881 0.4 . 1 . . . . . . . . 6434 1 1482 . 1 1 144 144 TYR H H 1 9.181 0.02 . 1 . . . . . . . . 6434 1 1483 . 1 1 144 144 TYR CA C 13 56.583 . . 1 . . . . . . . . 6434 1 1484 . 1 1 144 144 TYR HA H 1 5.026 0.02 . 1 . . . . . . . . 6434 1 1485 . 1 1 144 144 TYR CB C 13 42.183 . . 1 . . . . . . . . 6434 1 1486 . 1 1 144 144 TYR HB3 H 1 2.530 0.02 . 2 . . . . . . . . 6434 1 1487 . 1 1 144 144 TYR HB2 H 1 2.630 0.02 . 2 . . . . . . . . 6434 1 1488 . 1 1 144 144 TYR CD1 C 13 131.330 . . 3 . . . . . . . . 6434 1 1489 . 1 1 144 144 TYR HD1 H 1 6.650 0.02 . 3 . . . . . . . . 6434 1 1490 . 1 1 144 144 TYR CE1 C 13 115.800 . . 3 . . . . . . . . 6434 1 1491 . 1 1 144 144 TYR HE1 H 1 6.650 0.02 . 3 . . . . . . . . 6434 1 1492 . 1 1 144 144 TYR C C 13 180.250 . . 1 . . . . . . . . 6434 1 1493 . 1 1 145 145 VAL N N 15 122.255 0.4 . 1 . . . . . . . . 6434 1 1494 . 1 1 145 145 VAL H H 1 9.108 0.02 . 1 . . . . . . . . 6434 1 1495 . 1 1 145 145 VAL CA C 13 62.775 . . 1 . . . . . . . . 6434 1 1496 . 1 1 145 145 VAL HA H 1 4.638 0.02 . 1 . . . . . . . . 6434 1 1497 . 1 1 145 145 VAL CB C 13 32.434 . . 1 . . . . . . . . 6434 1 1498 . 1 1 145 145 VAL HB H 1 1.916 0.02 . 1 . . . . . . . . 6434 1 1499 . 1 1 145 145 VAL CG2 C 13 21.833 . . 1 . . . . . . . . 6434 1 1500 . 1 1 145 145 VAL HG21 H 1 0.955 0.02 . 2 . . . . . . . . 6434 1 1501 . 1 1 145 145 VAL HG22 H 1 0.955 0.02 . 2 . . . . . . . . 6434 1 1502 . 1 1 145 145 VAL HG23 H 1 0.955 0.02 . 2 . . . . . . . . 6434 1 1503 . 1 1 145 145 VAL CG1 C 13 20.683 . . 1 . . . . . . . . 6434 1 1504 . 1 1 145 145 VAL HG11 H 1 0.855 0.02 . 2 . . . . . . . . 6434 1 1505 . 1 1 145 145 VAL HG12 H 1 0.855 0.02 . 2 . . . . . . . . 6434 1 1506 . 1 1 145 145 VAL HG13 H 1 0.855 0.02 . 2 . . . . . . . . 6434 1 1507 . 1 1 145 145 VAL C C 13 179.054 . . 1 . . . . . . . . 6434 1 1508 . 1 1 146 146 ILE N N 15 125.842 0.4 . 1 . . . . . . . . 6434 1 1509 . 1 1 146 146 ILE H H 1 9.328 0.02 . 1 . . . . . . . . 6434 1 1510 . 1 1 146 146 ILE CA C 13 58.622 . . 1 . . . . . . . . 6434 1 1511 . 1 1 146 146 ILE HA H 1 5.370 0.02 . 1 . . . . . . . . 6434 1 1512 . 1 1 146 146 ILE CB C 13 41.680 . . 1 . . . . . . . . 6434 1 1513 . 1 1 146 146 ILE HB H 1 1.990 0.02 . 1 . . . . . . . . 6434 1 1514 . 1 1 146 146 ILE HG13 H 1 1.130 0.02 . 1 . . . . . . . . 6434 1 1515 . 1 1 146 146 ILE HG12 H 1 1.130 0.02 . 1 . . . . . . . . 6434 1 1516 . 1 1 146 146 ILE CD1 C 13 15.314 . . 1 . . . . . . . . 6434 1 1517 . 1 1 146 146 ILE HD11 H 1 0.760 0.02 . 1 . . . . . . . . 6434 1 1518 . 1 1 146 146 ILE HD12 H 1 0.760 0.02 . 1 . . . . . . . . 6434 1 1519 . 1 1 146 146 ILE HD13 H 1 0.760 0.02 . 1 . . . . . . . . 6434 1 1520 . 1 1 146 146 ILE CG2 C 13 18.220 . . 1 . . . . . . . . 6434 1 1521 . 1 1 146 146 ILE HG21 H 1 0.950 0.02 . 1 . . . . . . . . 6434 1 1522 . 1 1 146 146 ILE HG22 H 1 0.950 0.02 . 1 . . . . . . . . 6434 1 1523 . 1 1 146 146 ILE HG23 H 1 0.950 0.02 . 1 . . . . . . . . 6434 1 1524 . 1 1 146 146 ILE C C 13 177.539 . . 1 . . . . . . . . 6434 1 1525 . 1 1 147 147 THR N N 15 113.479 0.4 . 1 . . . . . . . . 6434 1 1526 . 1 1 147 147 THR H H 1 8.236 0.02 . 1 . . . . . . . . 6434 1 1527 . 1 1 147 147 THR CA C 13 60.128 . . 1 . . . . . . . . 6434 1 1528 . 1 1 147 147 THR CB C 13 71.843 . . 1 . . . . . . . . 6434 1 1529 . 1 1 147 147 THR CG2 C 13 18.220 . . 1 . . . . . . . . 6434 1 1530 . 1 1 147 147 THR HG21 H 1 0.830 0.02 . 1 . . . . . . . . 6434 1 1531 . 1 1 147 147 THR HG22 H 1 0.830 0.02 . 1 . . . . . . . . 6434 1 1532 . 1 1 147 147 THR HG23 H 1 0.830 0.02 . 1 . . . . . . . . 6434 1 1533 . 1 1 148 148 TYR CD1 C 13 130.040 . . 3 . . . . . . . . 6434 1 1534 . 1 1 148 148 TYR HD1 H 1 7.020 0.02 . 3 . . . . . . . . 6434 1 1535 . 1 1 148 148 TYR CE1 C 13 117.420 . . 3 . . . . . . . . 6434 1 1536 . 1 1 148 148 TYR HE1 H 1 6.810 0.02 . 3 . . . . . . . . 6434 1 1537 . 1 1 148 148 TYR C C 13 180.430 . . 1 . . . . . . . . 6434 1 stop_ save_