data_19954 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19954 _Entry.Title ; Structure of Nrd1p CID - Trf4p NIM complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-05-06 _Entry.Accession_date 2014-05-06 _Entry.Last_release_date 2014-08-11 _Entry.Original_release_date 2014-08-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Tomek Kabzinski . . . 19954 2 Richard Stefl . . . 19954 3 Karel Kubicek . . . 19954 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19954 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'transcription termonation' . 19954 'RNA degradation' . 19954 'RNAP II CTD' . 19954 'protein-protein interaction' . 19954 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19954 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 949 19954 '15N chemical shifts' 152 19954 '13C chemical shifts' 374 19954 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 . . 2014-08-11 2014-05-06 original author . 19954 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MOW 'BMRB Entry Tracking System' 19954 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19954 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25066235 _Citation.Full_citation . _Citation.Title 'Molecular Basis for Coordinating Transcription Termination with Noncoding RNA Degradation' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume 55 _Citation.Journal_issue 3 _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 467 _Citation.Page_last 481 _Citation.Year 2014 _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 Agnieszka Tudek . . . 19954 1 2 Odil Porrua . . . 19954 1 3 Tomasz Kabzinski . . . 19954 1 4 Michael Lidschreiber . . . 19954 1 5 Karel Kubicek . . . 19954 1 6 Andrea Fortova . . . 19954 1 7 'Fran ois' Lacroute . . . 19954 1 8 Stepanka Vanacova . . . 19954 1 9 Patrick Cramer . . . 19954 1 10 Richard Stefl . . . 19954 1 11 Domenico Libri . . . 19954 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19954 _Assembly.ID 1 _Assembly.Name 'Nrd1p CID - Trf4p NIM complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 19954 1 2 entity_2 2 $entity_2 B . no native no no . . . 19954 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 19954 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQQDDDFQNFVATLESFKDL KSGISGSRIKKLTTYALDHI DIESKIISLIIDYSRLCPDS HKLGSLYIIDSIGRAYLDET RSNSNSSSNKPGTCAHAINT LGEVIQELLSDAIAKSNQDH KEKIRMLLDIWDRSGLFQKS YLNAIRSKCFAMDLEHHHHH H ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 161 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18315.812 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17173 . Nrd1_CID . . . . . 100.00 161 100.00 100.00 1.91e-112 . . . . 19954 1 2 no PDB 2LO6 . "Structure Of Nrd1 Cid Bound To Phosphorylated Rnap Ii Ctd" . . . . . 100.00 161 100.00 100.00 1.91e-112 . . . . 19954 1 3 no PDB 2MOW . "Structure Of Nrd1p Cid - Trf4p Nim Complex" . . . . . 100.00 161 100.00 100.00 1.91e-112 . . . . 19954 1 4 no PDB 3CLJ . "Structure Of The Rna Polymerase Ii Ctd-Interacting Domain Of Nrd1" . . . . . 96.89 157 98.72 98.72 2.36e-106 . . . . 19954 1 5 no DBJ GAA25857 . "K7_Nrd1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 19954 1 6 no EMBL CAA65493 . "NRD1 [Saccharomyces cerevisiae]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 19954 1 7 no EMBL CAA96158 . "NRD1 [Saccharomyces cerevisiae]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 19954 1 8 no EMBL CAY82359 . "Nrd1p [Saccharomyces cerevisiae EC1118]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 19954 1 9 no GB AAC49568 . "Nrd1p [Saccharomyces cerevisiae]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 19954 1 10 no GB AHY76857 . "Nrd1p [Saccharomyces cerevisiae YJM993]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 19954 1 11 no GB AJP41095 . "Nrd1p [Saccharomyces cerevisiae YJM1078]" . . . . . 97.52 575 97.45 99.36 2.05e-103 . . . . 19954 1 12 no GB AJT01532 . "Nrd1p [Saccharomyces cerevisiae YJM189]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 19954 1 13 no GB AJT02278 . "Nrd1p [Saccharomyces cerevisiae YJM195]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 19954 1 14 no REF NP_014148 . "Nrd1 complex RNA-binding subunit [Saccharomyces cerevisiae S288c]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 19954 1 15 no SP P53617 . "RecName: Full=Protein NRD1" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 19954 1 16 no TPG DAA10308 . "TPA: Nrd1 complex RNA-binding subunit [Saccharomyces cerevisiae S288c]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 19954 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 . MET . 19954 1 2 . GLN . 19954 1 3 . GLN . 19954 1 4 . ASP . 19954 1 5 . ASP . 19954 1 6 . ASP . 19954 1 7 . PHE . 19954 1 8 . GLN . 19954 1 9 . ASN . 19954 1 10 . PHE . 19954 1 11 . VAL . 19954 1 12 . ALA . 19954 1 13 . THR . 19954 1 14 . LEU . 19954 1 15 . GLU . 19954 1 16 . SER . 19954 1 17 . PHE . 19954 1 18 . LYS . 19954 1 19 . ASP . 19954 1 20 . LEU . 19954 1 21 . LYS . 19954 1 22 . SER . 19954 1 23 . GLY . 19954 1 24 . ILE . 19954 1 25 . SER . 19954 1 26 . GLY . 19954 1 27 . SER . 19954 1 28 . ARG . 19954 1 29 . ILE . 19954 1 30 . LYS . 19954 1 31 . LYS . 19954 1 32 . LEU . 19954 1 33 . THR . 19954 1 34 . THR . 19954 1 35 . TYR . 19954 1 36 . ALA . 19954 1 37 . LEU . 19954 1 38 . ASP . 19954 1 39 . HIS . 19954 1 40 . ILE . 19954 1 41 . ASP . 19954 1 42 . ILE . 19954 1 43 . GLU . 19954 1 44 . SER . 19954 1 45 . LYS . 19954 1 46 . ILE . 19954 1 47 . ILE . 19954 1 48 . SER . 19954 1 49 . LEU . 19954 1 50 . ILE . 19954 1 51 . ILE . 19954 1 52 . ASP . 19954 1 53 . TYR . 19954 1 54 . SER . 19954 1 55 . ARG . 19954 1 56 . LEU . 19954 1 57 . CYS . 19954 1 58 . PRO . 19954 1 59 . ASP . 19954 1 60 . SER . 19954 1 61 . HIS . 19954 1 62 . LYS . 19954 1 63 . LEU . 19954 1 64 . GLY . 19954 1 65 . SER . 19954 1 66 . LEU . 19954 1 67 . TYR . 19954 1 68 . ILE . 19954 1 69 . ILE . 19954 1 70 . ASP . 19954 1 71 . SER . 19954 1 72 . ILE . 19954 1 73 . GLY . 19954 1 74 . ARG . 19954 1 75 . ALA . 19954 1 76 . TYR . 19954 1 77 . LEU . 19954 1 78 . ASP . 19954 1 79 . GLU . 19954 1 80 . THR . 19954 1 81 . ARG . 19954 1 82 . SER . 19954 1 83 . ASN . 19954 1 84 . SER . 19954 1 85 . ASN . 19954 1 86 . SER . 19954 1 87 . SER . 19954 1 88 . SER . 19954 1 89 . ASN . 19954 1 90 . LYS . 19954 1 91 . PRO . 19954 1 92 . GLY . 19954 1 93 . THR . 19954 1 94 . CYS . 19954 1 95 . ALA . 19954 1 96 . HIS . 19954 1 97 . ALA . 19954 1 98 . ILE . 19954 1 99 . ASN . 19954 1 100 . THR . 19954 1 101 . LEU . 19954 1 102 . GLY . 19954 1 103 . GLU . 19954 1 104 . VAL . 19954 1 105 . ILE . 19954 1 106 . GLN . 19954 1 107 . GLU . 19954 1 108 . LEU . 19954 1 109 . LEU . 19954 1 110 . SER . 19954 1 111 . ASP . 19954 1 112 . ALA . 19954 1 113 . ILE . 19954 1 114 . ALA . 19954 1 115 . LYS . 19954 1 116 . SER . 19954 1 117 . ASN . 19954 1 118 . GLN . 19954 1 119 . ASP . 19954 1 120 . HIS . 19954 1 121 . LYS . 19954 1 122 . GLU . 19954 1 123 . LYS . 19954 1 124 . ILE . 19954 1 125 . ARG . 19954 1 126 . MET . 19954 1 127 . LEU . 19954 1 128 . LEU . 19954 1 129 . ASP . 19954 1 130 . ILE . 19954 1 131 . TRP . 19954 1 132 . ASP . 19954 1 133 . ARG . 19954 1 134 . SER . 19954 1 135 . GLY . 19954 1 136 . LEU . 19954 1 137 . PHE . 19954 1 138 . GLN . 19954 1 139 . LYS . 19954 1 140 . SER . 19954 1 141 . TYR . 19954 1 142 . LEU . 19954 1 143 . ASN . 19954 1 144 . ALA . 19954 1 145 . ILE . 19954 1 146 . ARG . 19954 1 147 . SER . 19954 1 148 . LYS . 19954 1 149 . CYS . 19954 1 150 . PHE . 19954 1 151 . ALA . 19954 1 152 . MET . 19954 1 153 . ASP . 19954 1 154 . LEU . 19954 1 155 . GLU . 19954 1 156 . HIS . 19954 1 157 . HIS . 19954 1 158 . HIS . 19954 1 159 . HIS . 19954 1 160 . HIS . 19954 1 161 . HIS . 19954 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 . MET 1 1 19954 1 . GLN 2 2 19954 1 . GLN 3 3 19954 1 . ASP 4 4 19954 1 . ASP 5 5 19954 1 . ASP 6 6 19954 1 . PHE 7 7 19954 1 . GLN 8 8 19954 1 . ASN 9 9 19954 1 . PHE 10 10 19954 1 . VAL 11 11 19954 1 . ALA 12 12 19954 1 . THR 13 13 19954 1 . LEU 14 14 19954 1 . GLU 15 15 19954 1 . SER 16 16 19954 1 . PHE 17 17 19954 1 . LYS 18 18 19954 1 . ASP 19 19 19954 1 . LEU 20 20 19954 1 . LYS 21 21 19954 1 . SER 22 22 19954 1 . GLY 23 23 19954 1 . ILE 24 24 19954 1 . SER 25 25 19954 1 . GLY 26 26 19954 1 . SER 27 27 19954 1 . ARG 28 28 19954 1 . ILE 29 29 19954 1 . LYS 30 30 19954 1 . LYS 31 31 19954 1 . LEU 32 32 19954 1 . THR 33 33 19954 1 . THR 34 34 19954 1 . TYR 35 35 19954 1 . ALA 36 36 19954 1 . LEU 37 37 19954 1 . ASP 38 38 19954 1 . HIS 39 39 19954 1 . ILE 40 40 19954 1 . ASP 41 41 19954 1 . ILE 42 42 19954 1 . GLU 43 43 19954 1 . SER 44 44 19954 1 . LYS 45 45 19954 1 . ILE 46 46 19954 1 . ILE 47 47 19954 1 . SER 48 48 19954 1 . LEU 49 49 19954 1 . ILE 50 50 19954 1 . ILE 51 51 19954 1 . ASP 52 52 19954 1 . TYR 53 53 19954 1 . SER 54 54 19954 1 . ARG 55 55 19954 1 . LEU 56 56 19954 1 . CYS 57 57 19954 1 . PRO 58 58 19954 1 . ASP 59 59 19954 1 . SER 60 60 19954 1 . HIS 61 61 19954 1 . LYS 62 62 19954 1 . LEU 63 63 19954 1 . GLY 64 64 19954 1 . SER 65 65 19954 1 . LEU 66 66 19954 1 . TYR 67 67 19954 1 . ILE 68 68 19954 1 . ILE 69 69 19954 1 . ASP 70 70 19954 1 . SER 71 71 19954 1 . ILE 72 72 19954 1 . GLY 73 73 19954 1 . ARG 74 74 19954 1 . ALA 75 75 19954 1 . TYR 76 76 19954 1 . LEU 77 77 19954 1 . ASP 78 78 19954 1 . GLU 79 79 19954 1 . THR 80 80 19954 1 . ARG 81 81 19954 1 . SER 82 82 19954 1 . ASN 83 83 19954 1 . SER 84 84 19954 1 . ASN 85 85 19954 1 . SER 86 86 19954 1 . SER 87 87 19954 1 . SER 88 88 19954 1 . ASN 89 89 19954 1 . LYS 90 90 19954 1 . PRO 91 91 19954 1 . GLY 92 92 19954 1 . THR 93 93 19954 1 . CYS 94 94 19954 1 . ALA 95 95 19954 1 . HIS 96 96 19954 1 . ALA 97 97 19954 1 . ILE 98 98 19954 1 . ASN 99 99 19954 1 . THR 100 100 19954 1 . LEU 101 101 19954 1 . GLY 102 102 19954 1 . GLU 103 103 19954 1 . VAL 104 104 19954 1 . ILE 105 105 19954 1 . GLN 106 106 19954 1 . GLU 107 107 19954 1 . LEU 108 108 19954 1 . LEU 109 109 19954 1 . SER 110 110 19954 1 . ASP 111 111 19954 1 . ALA 112 112 19954 1 . ILE 113 113 19954 1 . ALA 114 114 19954 1 . LYS 115 115 19954 1 . SER 116 116 19954 1 . ASN 117 117 19954 1 . GLN 118 118 19954 1 . ASP 119 119 19954 1 . HIS 120 120 19954 1 . LYS 121 121 19954 1 . GLU 122 122 19954 1 . LYS 123 123 19954 1 . ILE 124 124 19954 1 . ARG 125 125 19954 1 . MET 126 126 19954 1 . LEU 127 127 19954 1 . LEU 128 128 19954 1 . ASP 129 129 19954 1 . ILE 130 130 19954 1 . TRP 131 131 19954 1 . ASP 132 132 19954 1 . ARG 133 133 19954 1 . SER 134 134 19954 1 . GLY 135 135 19954 1 . LEU 136 136 19954 1 . PHE 137 137 19954 1 . GLN 138 138 19954 1 . LYS 139 139 19954 1 . SER 140 140 19954 1 . TYR 141 141 19954 1 . LEU 142 142 19954 1 . ASN 143 143 19954 1 . ALA 144 144 19954 1 . ILE 145 145 19954 1 . ARG 146 146 19954 1 . SER 147 147 19954 1 . LYS 148 148 19954 1 . CYS 149 149 19954 1 . PHE 150 150 19954 1 . ALA 151 151 19954 1 . MET 152 152 19954 1 . ASP 153 153 19954 1 . LEU 154 154 19954 1 . GLU 155 155 19954 1 . HIS 156 156 19954 1 . HIS 157 157 19954 1 . HIS 158 158 19954 1 . HIS 159 159 19954 1 . HIS 160 160 19954 1 . HIS 161 161 19954 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 19954 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code DDDEDGYNPYTL _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1416.371 _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 . ASP . 19954 2 2 . ASP . 19954 2 3 . ASP . 19954 2 4 . GLU . 19954 2 5 . ASP . 19954 2 6 . GLY . 19954 2 7 . TYR . 19954 2 8 . ASN . 19954 2 9 . PRO . 19954 2 10 . TYR . 19954 2 11 . THR . 19954 2 12 . LEU . 19954 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ASP 1 1 19954 2 . ASP 2 2 19954 2 . ASP 3 3 19954 2 . GLU 4 4 19954 2 . ASP 5 5 19954 2 . GLY 6 6 19954 2 . TYR 7 7 19954 2 . ASN 8 8 19954 2 . PRO 9 9 19954 2 . TYR 10 10 19954 2 . THR 11 11 19954 2 . LEU 12 12 19954 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 19954 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 19954 1 2 2 $entity_2 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 19954 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 19954 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Saccharomyces cerevisiae' . . . Saccharomyces cerevisiae . . . . . . . . . . . . . . . . pET22b . . . . . . 19954 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19954 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19954 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_2 'natural abundance' . . 2 $entity_2 . . 1.5 . . mM . . . . 19954 1 2 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 19954 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19954 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19954 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19954 _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 temperature 293.15 . K 19954 1 pH 8.0 . pH 19954 1 pressure 1 . atm 19954 1 'ionic strength' 0.1 . M 19954 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19954 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19954 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19954 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19954 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19954 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19954 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 950 . . . 19954 1 2 spectrometer_2 Bruker Avance . 700 . . . 19954 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 19954 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19954 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19954 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19954 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19954 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19954 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19954 1 7 '3D F1-13C/15N-filtered NOESY-[13C,1H]-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19954 1 8 '2D F1, F2-13C/15N-filtered [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19954 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19954 _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 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 19954 1 C 13 water 'methyl carbon' . . . . ppm 4.7 internal direct 1 . . . . . . . . . 19954 1 N 15 water nitrogen . . . . ppm 4.7 internal direct 1 . . . . . . . . . 19954 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19954 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCA' . . . 19954 1 3 '3D HN(CO)CA' . . . 19954 1 4 '3D HBHA(CO)NH' . . . 19954 1 5 '3D 1H-15N NOESY' . . . 19954 1 6 '3D 1H-13C NOESY' . . . 19954 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 3 3 GLN HA H 1 4.699 0.007 . . . . . . 3 GLN HA . 19954 1 2 . 1 1 3 3 GLN HE21 H 1 6.941 0.003 . . . . . . 3 GLN HE21 . 19954 1 3 . 1 1 3 3 GLN HE22 H 1 7.570 0.001 . . . . . . 3 GLN HE22 . 19954 1 4 . 1 1 3 3 GLN NE2 N 15 111.512 0.057 . . . . . . 3 GLN NE2 . 19954 1 5 . 1 1 4 4 ASP CA C 13 51.739 0.000 . . . . . . 4 ASP CA . 19954 1 6 . 1 1 5 5 ASP H H 1 8.235 0.004 . . . . . . 5 ASP H . 19954 1 7 . 1 1 5 5 ASP HA H 1 4.458 0.016 . . . . . . 5 ASP HA . 19954 1 8 . 1 1 5 5 ASP HB2 H 1 2.616 0.013 . . . . . . 5 ASP QB . 19954 1 9 . 1 1 5 5 ASP HB3 H 1 2.616 0.013 . . . . . . 5 ASP QB . 19954 1 10 . 1 1 5 5 ASP CA C 13 52.575 0.192 . . . . . . 5 ASP CA . 19954 1 11 . 1 1 5 5 ASP CB C 13 38.723 0.048 . . . . . . 5 ASP CB . 19954 1 12 . 1 1 5 5 ASP N N 15 121.004 0.015 . . . . . . 5 ASP N . 19954 1 13 . 1 1 6 6 ASP H H 1 8.501 0.006 . . . . . . 6 ASP H . 19954 1 14 . 1 1 6 6 ASP HA H 1 4.485 0.010 . . . . . . 6 ASP HA . 19954 1 15 . 1 1 6 6 ASP HB2 H 1 2.809 0.008 . . . . . . 6 ASP HB2 . 19954 1 16 . 1 1 6 6 ASP HB3 H 1 2.866 0.003 . . . . . . 6 ASP HB3 . 19954 1 17 . 1 1 6 6 ASP CA C 13 52.962 0.131 . . . . . . 6 ASP CA . 19954 1 18 . 1 1 6 6 ASP CB C 13 38.558 0.133 . . . . . . 6 ASP CB . 19954 1 19 . 1 1 6 6 ASP N N 15 120.889 0.026 . . . . . . 6 ASP N . 19954 1 20 . 1 1 7 7 PHE H H 1 8.344 0.010 . . . . . . 7 PHE H . 19954 1 21 . 1 1 7 7 PHE HA H 1 4.107 0.006 . . . . . . 7 PHE HA . 19954 1 22 . 1 1 7 7 PHE HB2 H 1 2.791 0.012 . . . . . . 7 PHE HB2 . 19954 1 23 . 1 1 7 7 PHE HB3 H 1 3.114 0.008 . . . . . . 7 PHE HB3 . 19954 1 24 . 1 1 7 7 PHE CA C 13 58.765 0.114 . . . . . . 7 PHE CA . 19954 1 25 . 1 1 7 7 PHE CB C 13 36.666 0.118 . . . . . . 7 PHE CB . 19954 1 26 . 1 1 7 7 PHE N N 15 122.795 0.057 . . . . . . 7 PHE N . 19954 1 27 . 1 1 8 8 GLN H H 1 8.494 0.007 . . . . . . 8 GLN H . 19954 1 28 . 1 1 8 8 GLN HA H 1 3.750 0.007 . . . . . . 8 GLN HA . 19954 1 29 . 1 1 8 8 GLN HB2 H 1 1.965 0.013 . . . . . . 8 GLN QB . 19954 1 30 . 1 1 8 8 GLN HB3 H 1 1.965 0.013 . . . . . . 8 GLN QB . 19954 1 31 . 1 1 8 8 GLN HG2 H 1 2.349 0.009 . . . . . . 8 GLN QG . 19954 1 32 . 1 1 8 8 GLN HG3 H 1 2.349 0.009 . . . . . . 8 GLN QG . 19954 1 33 . 1 1 8 8 GLN CA C 13 55.703 0.134 . . . . . . 8 GLN CA . 19954 1 34 . 1 1 8 8 GLN CB C 13 24.788 0.147 . . . . . . 8 GLN CB . 19954 1 35 . 1 1 8 8 GLN CG C 13 31.027 0.142 . . . . . . 8 GLN CG . 19954 1 36 . 1 1 8 8 GLN N N 15 116.234 0.038 . . . . . . 8 GLN N . 19954 1 37 . 1 1 9 9 ASN H H 1 7.808 0.007 . . . . . . 9 ASN H . 19954 1 38 . 1 1 9 9 ASN HA H 1 4.309 0.007 . . . . . . 9 ASN HA . 19954 1 39 . 1 1 9 9 ASN HB2 H 1 2.677 0.009 . . . . . . 9 ASN HB2 . 19954 1 40 . 1 1 9 9 ASN HB3 H 1 2.749 0.013 . . . . . . 9 ASN HB3 . 19954 1 41 . 1 1 9 9 ASN HD21 H 1 6.899 0.019 . . . . . . 9 ASN HD21 . 19954 1 42 . 1 1 9 9 ASN CA C 13 53.575 0.246 . . . . . . 9 ASN CA . 19954 1 43 . 1 1 9 9 ASN CB C 13 36.253 0.167 . . . . . . 9 ASN CB . 19954 1 44 . 1 1 9 9 ASN N N 15 118.223 0.035 . . . . . . 9 ASN N . 19954 1 45 . 1 1 10 10 PHE H H 1 6.935 0.017 . . . . . . 10 PHE H . 19954 1 46 . 1 1 10 10 PHE HA H 1 3.453 0.006 . . . . . . 10 PHE HA . 19954 1 47 . 1 1 10 10 PHE HB2 H 1 1.181 0.009 . . . . . . 10 PHE HB2 . 19954 1 48 . 1 1 10 10 PHE HB3 H 1 2.313 0.013 . . . . . . 10 PHE HB3 . 19954 1 49 . 1 1 10 10 PHE CA C 13 58.994 0.116 . . . . . . 10 PHE CA . 19954 1 50 . 1 1 10 10 PHE CB C 13 35.035 0.207 . . . . . . 10 PHE CB . 19954 1 51 . 1 1 10 10 PHE N N 15 125.036 0.048 . . . . . . 10 PHE N . 19954 1 52 . 1 1 11 11 VAL H H 1 7.458 0.010 . . . . . . 11 VAL H . 19954 1 53 . 1 1 11 11 VAL HA H 1 2.833 0.007 . . . . . . 11 VAL HA . 19954 1 54 . 1 1 11 11 VAL HB H 1 1.644 0.005 . . . . . . 11 VAL HB . 19954 1 55 . 1 1 11 11 VAL HG11 H 1 0.435 0.006 . . . . . . 11 VAL QG1 . 19954 1 56 . 1 1 11 11 VAL HG12 H 1 0.435 0.006 . . . . . . 11 VAL QG1 . 19954 1 57 . 1 1 11 11 VAL HG13 H 1 0.435 0.006 . . . . . . 11 VAL QG1 . 19954 1 58 . 1 1 11 11 VAL HG21 H 1 0.702 0.009 . . . . . . 11 VAL QG2 . 19954 1 59 . 1 1 11 11 VAL HG22 H 1 0.702 0.009 . . . . . . 11 VAL QG2 . 19954 1 60 . 1 1 11 11 VAL HG23 H 1 0.702 0.009 . . . . . . 11 VAL QG2 . 19954 1 61 . 1 1 11 11 VAL CA C 13 64.231 0.160 . . . . . . 11 VAL CA . 19954 1 62 . 1 1 11 11 VAL CB C 13 29.533 0.007 . . . . . . 11 VAL CB . 19954 1 63 . 1 1 11 11 VAL CG1 C 13 20.731 0.033 . . . . . . 11 VAL CG1 . 19954 1 64 . 1 1 11 11 VAL CG2 C 13 18.632 0.098 . . . . . . 11 VAL CG2 . 19954 1 65 . 1 1 11 11 VAL N N 15 118.514 0.042 . . . . . . 11 VAL N . 19954 1 66 . 1 1 12 12 ALA H H 1 8.031 0.007 . . . . . . 12 ALA H . 19954 1 67 . 1 1 12 12 ALA HA H 1 3.881 0.013 . . . . . . 12 ALA HA . 19954 1 68 . 1 1 12 12 ALA HB1 H 1 1.282 0.006 . . . . . . 12 ALA QB . 19954 1 69 . 1 1 12 12 ALA HB2 H 1 1.282 0.006 . . . . . . 12 ALA QB . 19954 1 70 . 1 1 12 12 ALA HB3 H 1 1.282 0.006 . . . . . . 12 ALA QB . 19954 1 71 . 1 1 12 12 ALA CA C 13 52.332 0.194 . . . . . . 12 ALA CA . 19954 1 72 . 1 1 12 12 ALA CB C 13 15.649 0.042 . . . . . . 12 ALA CB . 19954 1 73 . 1 1 12 12 ALA N N 15 119.238 0.033 . . . . . . 12 ALA N . 19954 1 74 . 1 1 13 13 THR H H 1 7.643 0.009 . . . . . . 13 THR H . 19954 1 75 . 1 1 13 13 THR HA H 1 3.627 0.013 . . . . . . 13 THR HA . 19954 1 76 . 1 1 13 13 THR HB H 1 3.900 0.010 . . . . . . 13 THR HB . 19954 1 77 . 1 1 13 13 THR HG21 H 1 0.898 0.010 . . . . . . 13 THR QG2 . 19954 1 78 . 1 1 13 13 THR HG22 H 1 0.898 0.010 . . . . . . 13 THR QG2 . 19954 1 79 . 1 1 13 13 THR HG23 H 1 0.898 0.010 . . . . . . 13 THR QG2 . 19954 1 80 . 1 1 13 13 THR CA C 13 64.041 0.130 . . . . . . 13 THR CA . 19954 1 81 . 1 1 13 13 THR CB C 13 65.111 0.120 . . . . . . 13 THR CB . 19954 1 82 . 1 1 13 13 THR CG2 C 13 18.980 0.110 . . . . . . 13 THR CG2 . 19954 1 83 . 1 1 13 13 THR N N 15 116.426 0.039 . . . . . . 13 THR N . 19954 1 84 . 1 1 14 14 LEU H H 1 7.989 0.009 . . . . . . 14 LEU H . 19954 1 85 . 1 1 14 14 LEU HA H 1 3.630 0.007 . . . . . . 14 LEU HA . 19954 1 86 . 1 1 14 14 LEU HB2 H 1 0.482 0.009 . . . . . . 14 LEU HB2 . 19954 1 87 . 1 1 14 14 LEU HB3 H 1 1.534 0.016 . . . . . . 14 LEU HB3 . 19954 1 88 . 1 1 14 14 LEU HG H 1 0.884 0.014 . . . . . . 14 LEU HG . 19954 1 89 . 1 1 14 14 LEU HD11 H 1 -0.213 0.009 . . . . . . 14 LEU QD1 . 19954 1 90 . 1 1 14 14 LEU HD12 H 1 -0.213 0.009 . . . . . . 14 LEU QD1 . 19954 1 91 . 1 1 14 14 LEU HD13 H 1 -0.213 0.009 . . . . . . 14 LEU QD1 . 19954 1 92 . 1 1 14 14 LEU HD21 H 1 0.460 0.006 . . . . . . 14 LEU QD2 . 19954 1 93 . 1 1 14 14 LEU HD22 H 1 0.460 0.006 . . . . . . 14 LEU QD2 . 19954 1 94 . 1 1 14 14 LEU HD23 H 1 0.460 0.006 . . . . . . 14 LEU QD2 . 19954 1 95 . 1 1 14 14 LEU CA C 13 55.495 0.103 . . . . . . 14 LEU CA . 19954 1 96 . 1 1 14 14 LEU CB C 13 38.856 0.139 . . . . . . 14 LEU CB . 19954 1 97 . 1 1 14 14 LEU CG C 13 24.177 0.216 . . . . . . 14 LEU CG . 19954 1 98 . 1 1 14 14 LEU CD1 C 13 20.371 0.063 . . . . . . 14 LEU CD1 . 19954 1 99 . 1 1 14 14 LEU CD2 C 13 24.517 0.052 . . . . . . 14 LEU CD2 . 19954 1 100 . 1 1 14 14 LEU N N 15 126.325 0.037 . . . . . . 14 LEU N . 19954 1 101 . 1 1 15 15 GLU H H 1 8.507 0.007 . . . . . . 15 GLU H . 19954 1 102 . 1 1 15 15 GLU HA H 1 3.819 0.008 . . . . . . 15 GLU HA . 19954 1 103 . 1 1 15 15 GLU HB2 H 1 1.883 0.014 . . . . . . 15 GLU QB . 19954 1 104 . 1 1 15 15 GLU HB3 H 1 1.883 0.014 . . . . . . 15 GLU QB . 19954 1 105 . 1 1 15 15 GLU HG2 H 1 2.218 0.010 . . . . . . 15 GLU HG2 . 19954 1 106 . 1 1 15 15 GLU HG3 H 1 2.144 0.009 . . . . . . 15 GLU HG3 . 19954 1 107 . 1 1 15 15 GLU CA C 13 56.405 0.132 . . . . . . 15 GLU CA . 19954 1 108 . 1 1 15 15 GLU CB C 13 26.908 0.181 . . . . . . 15 GLU CB . 19954 1 109 . 1 1 15 15 GLU CG C 13 33.932 0.088 . . . . . . 15 GLU CG . 19954 1 110 . 1 1 15 15 GLU N N 15 116.131 0.040 . . . . . . 15 GLU N . 19954 1 111 . 1 1 16 16 SER H H 1 7.656 0.008 . . . . . . 16 SER H . 19954 1 112 . 1 1 16 16 SER HA H 1 4.196 0.019 . . . . . . 16 SER HA . 19954 1 113 . 1 1 16 16 SER HB2 H 1 3.940 0.008 . . . . . . 16 SER HB2 . 19954 1 114 . 1 1 16 16 SER HB3 H 1 4.207 0.005 . . . . . . 16 SER HB3 . 19954 1 115 . 1 1 16 16 SER CA C 13 58.515 0.118 . . . . . . 16 SER CA . 19954 1 116 . 1 1 16 16 SER CB C 13 60.155 0.019 . . . . . . 16 SER CB . 19954 1 117 . 1 1 16 16 SER N N 15 114.452 0.041 . . . . . . 16 SER N . 19954 1 118 . 1 1 17 17 PHE H H 1 8.091 0.006 . . . . . . 17 PHE H . 19954 1 119 . 1 1 17 17 PHE HA H 1 3.833 0.014 . . . . . . 17 PHE HA . 19954 1 120 . 1 1 17 17 PHE HB2 H 1 2.888 0.015 . . . . . . 17 PHE HB2 . 19954 1 121 . 1 1 17 17 PHE HB3 H 1 3.334 0.011 . . . . . . 17 PHE HB3 . 19954 1 122 . 1 1 17 17 PHE CA C 13 59.336 0.149 . . . . . . 17 PHE CA . 19954 1 123 . 1 1 17 17 PHE CB C 13 37.127 0.120 . . . . . . 17 PHE CB . 19954 1 124 . 1 1 17 17 PHE N N 15 124.018 0.047 . . . . . . 17 PHE N . 19954 1 125 . 1 1 18 18 LYS H H 1 7.860 0.011 . . . . . . 18 LYS H . 19954 1 126 . 1 1 18 18 LYS HA H 1 3.949 0.010 . . . . . . 18 LYS HA . 19954 1 127 . 1 1 18 18 LYS HB2 H 1 1.694 0.002 . . . . . . 18 LYS HB2 . 19954 1 128 . 1 1 18 18 LYS HB3 H 1 1.794 0.016 . . . . . . 18 LYS HB3 . 19954 1 129 . 1 1 18 18 LYS HG2 H 1 1.301 0.015 . . . . . . 18 LYS HG2 . 19954 1 130 . 1 1 18 18 LYS HG3 H 1 1.588 0.013 . . . . . . 18 LYS HG3 . 19954 1 131 . 1 1 18 18 LYS HD2 H 1 1.825 0.003 . . . . . . 18 LYS QD . 19954 1 132 . 1 1 18 18 LYS HD3 H 1 1.825 0.003 . . . . . . 18 LYS QD . 19954 1 133 . 1 1 18 18 LYS HE2 H 1 2.819 0.004 . . . . . . 18 LYS HE2 . 19954 1 134 . 1 1 18 18 LYS HE3 H 1 2.931 0.000 . . . . . . 18 LYS HE3 . 19954 1 135 . 1 1 18 18 LYS CA C 13 56.856 0.159 . . . . . . 18 LYS CA . 19954 1 136 . 1 1 18 18 LYS CB C 13 29.478 0.160 . . . . . . 18 LYS CB . 19954 1 137 . 1 1 18 18 LYS CG C 13 24.473 0.041 . . . . . . 18 LYS CG . 19954 1 138 . 1 1 18 18 LYS CE C 13 39.573 0.053 . . . . . . 18 LYS CE . 19954 1 139 . 1 1 18 18 LYS N N 15 116.590 0.048 . . . . . . 18 LYS N . 19954 1 140 . 1 1 19 19 ASP H H 1 7.283 0.009 . . . . . . 19 ASP H . 19954 1 141 . 1 1 19 19 ASP HA H 1 4.519 0.011 . . . . . . 19 ASP HA . 19954 1 142 . 1 1 19 19 ASP HB2 H 1 2.576 0.021 . . . . . . 19 ASP HB2 . 19954 1 143 . 1 1 19 19 ASP HB3 H 1 2.749 0.017 . . . . . . 19 ASP HB3 . 19954 1 144 . 1 1 19 19 ASP CA C 13 52.157 0.128 . . . . . . 19 ASP CA . 19954 1 145 . 1 1 19 19 ASP CB C 13 38.929 0.071 . . . . . . 19 ASP CB . 19954 1 146 . 1 1 19 19 ASP N N 15 116.345 0.029 . . . . . . 19 ASP N . 19954 1 147 . 1 1 20 20 LEU H H 1 7.239 0.007 . . . . . . 20 LEU H . 19954 1 148 . 1 1 20 20 LEU HA H 1 4.395 0.010 . . . . . . 20 LEU HA . 19954 1 149 . 1 1 20 20 LEU HB2 H 1 1.705 0.001 . . . . . . 20 LEU HB2 . 19954 1 150 . 1 1 20 20 LEU HB3 H 1 2.555 0.019 . . . . . . 20 LEU HB3 . 19954 1 151 . 1 1 20 20 LEU HG H 1 1.369 0.002 . . . . . . 20 LEU HG . 19954 1 152 . 1 1 20 20 LEU HD11 H 1 0.238 0.012 . . . . . . 20 LEU QD1 . 19954 1 153 . 1 1 20 20 LEU HD12 H 1 0.238 0.012 . . . . . . 20 LEU QD1 . 19954 1 154 . 1 1 20 20 LEU HD13 H 1 0.238 0.012 . . . . . . 20 LEU QD1 . 19954 1 155 . 1 1 20 20 LEU HD21 H 1 0.620 0.014 . . . . . . 20 LEU QD2 . 19954 1 156 . 1 1 20 20 LEU HD22 H 1 0.620 0.014 . . . . . . 20 LEU QD2 . 19954 1 157 . 1 1 20 20 LEU HD23 H 1 0.620 0.014 . . . . . . 20 LEU QD2 . 19954 1 158 . 1 1 20 20 LEU CA C 13 50.997 0.210 . . . . . . 20 LEU CA . 19954 1 159 . 1 1 20 20 LEU N N 15 119.803 0.031 . . . . . . 20 LEU N . 19954 1 160 . 1 1 21 21 LYS H H 1 9.211 0.007 . . . . . . 21 LYS H . 19954 1 161 . 1 1 21 21 LYS HA H 1 4.061 0.006 . . . . . . 21 LYS HA . 19954 1 162 . 1 1 21 21 LYS HB2 H 1 1.828 0.006 . . . . . . 21 LYS QB . 19954 1 163 . 1 1 21 21 LYS HB3 H 1 1.828 0.006 . . . . . . 21 LYS QB . 19954 1 164 . 1 1 21 21 LYS HG2 H 1 1.132 0.002 . . . . . . 21 LYS HG2 . 19954 1 165 . 1 1 21 21 LYS HG3 H 1 1.265 0.006 . . . . . . 21 LYS HG3 . 19954 1 166 . 1 1 21 21 LYS HD2 H 1 1.471 0.007 . . . . . . 21 LYS HD2 . 19954 1 167 . 1 1 21 21 LYS HD3 H 1 1.642 0.006 . . . . . . 21 LYS HD3 . 19954 1 168 . 1 1 21 21 LYS HE2 H 1 3.281 0.004 . . . . . . 21 LYS HE2 . 19954 1 169 . 1 1 21 21 LYS HE3 H 1 3.515 0.007 . . . . . . 21 LYS HE3 . 19954 1 170 . 1 1 21 21 LYS CA C 13 56.878 0.165 . . . . . . 21 LYS CA . 19954 1 171 . 1 1 21 21 LYS CD C 13 30.331 0.088 . . . . . . 21 LYS CD . 19954 1 172 . 1 1 21 21 LYS CE C 13 47.656 0.052 . . . . . . 21 LYS CE . 19954 1 173 . 1 1 21 21 LYS N N 15 126.041 0.015 . . . . . . 21 LYS N . 19954 1 174 . 1 1 22 22 SER H H 1 8.614 0.011 . . . . . . 22 SER H . 19954 1 175 . 1 1 22 22 SER HA H 1 4.323 0.015 . . . . . . 22 SER HA . 19954 1 176 . 1 1 22 22 SER HB2 H 1 3.876 0.001 . . . . . . 22 SER HB2 . 19954 1 177 . 1 1 22 22 SER HB3 H 1 3.957 0.005 . . . . . . 22 SER HB3 . 19954 1 178 . 1 1 22 22 SER CA C 13 55.254 0.159 . . . . . . 22 SER CA . 19954 1 179 . 1 1 22 22 SER CB C 13 62.261 0.026 . . . . . . 22 SER CB . 19954 1 180 . 1 1 22 22 SER N N 15 109.912 0.020 . . . . . . 22 SER N . 19954 1 181 . 1 1 23 23 GLY H H 1 6.632 0.012 . . . . . . 23 GLY H . 19954 1 182 . 1 1 23 23 GLY HA2 H 1 3.195 0.021 . . . . . . 23 GLY HA2 . 19954 1 183 . 1 1 23 23 GLY HA3 H 1 3.341 0.014 . . . . . . 23 GLY HA3 . 19954 1 184 . 1 1 23 23 GLY CA C 13 43.980 0.308 . . . . . . 23 GLY CA . 19954 1 185 . 1 1 23 23 GLY N N 15 106.341 0.016 . . . . . . 23 GLY N . 19954 1 186 . 1 1 24 24 ILE H H 1 7.924 0.009 . . . . . . 24 ILE H . 19954 1 187 . 1 1 24 24 ILE HA H 1 3.985 0.022 . . . . . . 24 ILE HA . 19954 1 188 . 1 1 24 24 ILE HB H 1 1.518 0.005 . . . . . . 24 ILE HB . 19954 1 189 . 1 1 24 24 ILE HG12 H 1 0.856 0.006 . . . . . . 24 ILE QG1 . 19954 1 190 . 1 1 24 24 ILE HG13 H 1 0.856 0.006 . . . . . . 24 ILE QG1 . 19954 1 191 . 1 1 24 24 ILE HG21 H 1 0.926 0.010 . . . . . . 24 ILE QG2 . 19954 1 192 . 1 1 24 24 ILE HG22 H 1 0.926 0.010 . . . . . . 24 ILE QG2 . 19954 1 193 . 1 1 24 24 ILE HG23 H 1 0.926 0.010 . . . . . . 24 ILE QG2 . 19954 1 194 . 1 1 24 24 ILE HD11 H 1 0.828 0.002 . . . . . . 24 ILE QD1 . 19954 1 195 . 1 1 24 24 ILE HD12 H 1 0.828 0.002 . . . . . . 24 ILE QD1 . 19954 1 196 . 1 1 24 24 ILE HD13 H 1 0.828 0.002 . . . . . . 24 ILE QD1 . 19954 1 197 . 1 1 24 24 ILE CA C 13 59.167 0.115 . . . . . . 24 ILE CA . 19954 1 198 . 1 1 24 24 ILE CB C 13 39.575 0.203 . . . . . . 24 ILE CB . 19954 1 199 . 1 1 24 24 ILE CG1 C 13 24.310 0.013 . . . . . . 24 ILE CG1 . 19954 1 200 . 1 1 24 24 ILE CG2 C 13 16.347 0.025 . . . . . . 24 ILE CG2 . 19954 1 201 . 1 1 24 24 ILE CD1 C 13 11.882 0.034 . . . . . . 24 ILE CD1 . 19954 1 202 . 1 1 24 24 ILE N N 15 118.860 0.047 . . . . . . 24 ILE N . 19954 1 203 . 1 1 25 25 SER H H 1 5.678 0.025 . . . . . . 25 SER H . 19954 1 204 . 1 1 25 25 SER HA H 1 5.093 0.006 . . . . . . 25 SER HA . 19954 1 205 . 1 1 25 25 SER HB2 H 1 2.773 0.010 . . . . . . 25 SER HB2 . 19954 1 206 . 1 1 25 25 SER HB3 H 1 3.627 0.010 . . . . . . 25 SER HB3 . 19954 1 207 . 1 1 25 25 SER CA C 13 52.534 0.114 . . . . . . 25 SER CA . 19954 1 208 . 1 1 25 25 SER CB C 13 61.919 0.165 . . . . . . 25 SER CB . 19954 1 209 . 1 1 25 25 SER N N 15 117.963 0.021 . . . . . . 25 SER N . 19954 1 210 . 1 1 26 26 GLY H H 1 8.597 0.005 . . . . . . 26 GLY H . 19954 1 211 . 1 1 26 26 GLY HA2 H 1 3.649 0.006 . . . . . . 26 GLY HA2 . 19954 1 212 . 1 1 26 26 GLY HA3 H 1 4.095 0.005 . . . . . . 26 GLY HA3 . 19954 1 213 . 1 1 26 26 GLY CA C 13 45.448 0.146 . . . . . . 26 GLY CA . 19954 1 214 . 1 1 26 26 GLY N N 15 120.266 0.021 . . . . . . 26 GLY N . 19954 1 215 . 1 1 27 27 SER H H 1 9.856 0.009 . . . . . . 27 SER H . 19954 1 216 . 1 1 27 27 SER HA H 1 4.411 0.015 . . . . . . 27 SER HA . 19954 1 217 . 1 1 27 27 SER HB2 H 1 3.779 0.009 . . . . . . 27 SER QB . 19954 1 218 . 1 1 27 27 SER HB3 H 1 3.779 0.009 . . . . . . 27 SER QB . 19954 1 219 . 1 1 27 27 SER CA C 13 58.793 0.003 . . . . . . 27 SER CA . 19954 1 220 . 1 1 27 27 SER CB C 13 62.224 0.019 . . . . . . 27 SER CB . 19954 1 221 . 1 1 27 27 SER N N 15 120.540 0.025 . . . . . . 27 SER N . 19954 1 222 . 1 1 28 28 ARG H H 1 8.052 0.005 . . . . . . 28 ARG H . 19954 1 223 . 1 1 28 28 ARG HA H 1 3.894 0.014 . . . . . . 28 ARG HA . 19954 1 224 . 1 1 28 28 ARG HB2 H 1 2.816 0.012 . . . . . . 28 ARG HB2 . 19954 1 225 . 1 1 28 28 ARG HB3 H 1 2.877 0.010 . . . . . . 28 ARG HB3 . 19954 1 226 . 1 1 28 28 ARG HG2 H 1 1.528 0.023 . . . . . . 28 ARG QG . 19954 1 227 . 1 1 28 28 ARG HG3 H 1 1.528 0.023 . . . . . . 28 ARG QG . 19954 1 228 . 1 1 28 28 ARG HD2 H 1 3.055 0.000 . . . . . . 28 ARG QD . 19954 1 229 . 1 1 28 28 ARG HD3 H 1 3.055 0.000 . . . . . . 28 ARG QD . 19954 1 230 . 1 1 28 28 ARG CA C 13 56.900 0.128 . . . . . . 28 ARG CA . 19954 1 231 . 1 1 28 28 ARG CB C 13 28.114 0.085 . . . . . . 28 ARG CB . 19954 1 232 . 1 1 28 28 ARG CG C 13 27.061 0.126 . . . . . . 28 ARG CG . 19954 1 233 . 1 1 28 28 ARG N N 15 123.821 0.044 . . . . . . 28 ARG N . 19954 1 234 . 1 1 29 29 ILE H H 1 8.385 0.010 . . . . . . 29 ILE H . 19954 1 235 . 1 1 29 29 ILE HA H 1 3.478 0.017 . . . . . . 29 ILE HA . 19954 1 236 . 1 1 29 29 ILE HB H 1 1.867 0.022 . . . . . . 29 ILE HB . 19954 1 237 . 1 1 29 29 ILE HG12 H 1 0.687 0.002 . . . . . . 29 ILE HG12 . 19954 1 238 . 1 1 29 29 ILE HG13 H 1 2.167 0.011 . . . . . . 29 ILE HG13 . 19954 1 239 . 1 1 29 29 ILE HG21 H 1 0.810 0.001 . . . . . . 29 ILE QG2 . 19954 1 240 . 1 1 29 29 ILE HG22 H 1 0.810 0.001 . . . . . . 29 ILE QG2 . 19954 1 241 . 1 1 29 29 ILE HG23 H 1 0.810 0.001 . . . . . . 29 ILE QG2 . 19954 1 242 . 1 1 29 29 ILE HD11 H 1 0.364 0.027 . . . . . . 29 ILE QD1 . 19954 1 243 . 1 1 29 29 ILE HD12 H 1 0.364 0.027 . . . . . . 29 ILE QD1 . 19954 1 244 . 1 1 29 29 ILE HD13 H 1 0.364 0.027 . . . . . . 29 ILE QD1 . 19954 1 245 . 1 1 29 29 ILE CA C 13 64.629 0.182 . . . . . . 29 ILE CA . 19954 1 246 . 1 1 29 29 ILE CB C 13 35.668 0.000 . . . . . . 29 ILE CB . 19954 1 247 . 1 1 29 29 ILE CG1 C 13 29.341 0.000 . . . . . . 29 ILE CG1 . 19954 1 248 . 1 1 29 29 ILE CG2 C 13 15.460 0.064 . . . . . . 29 ILE CG2 . 19954 1 249 . 1 1 29 29 ILE N N 15 120.581 0.158 . . . . . . 29 ILE N . 19954 1 250 . 1 1 30 30 LYS H H 1 8.238 0.011 . . . . . . 30 LYS H . 19954 1 251 . 1 1 30 30 LYS HA H 1 4.029 0.008 . . . . . . 30 LYS HA . 19954 1 252 . 1 1 30 30 LYS HB2 H 1 1.861 0.016 . . . . . . 30 LYS HB2 . 19954 1 253 . 1 1 30 30 LYS HB3 H 1 1.937 0.015 . . . . . . 30 LYS HB3 . 19954 1 254 . 1 1 30 30 LYS HG2 H 1 1.389 0.004 . . . . . . 30 LYS HG2 . 19954 1 255 . 1 1 30 30 LYS HG3 H 1 1.579 0.024 . . . . . . 30 LYS HG3 . 19954 1 256 . 1 1 30 30 LYS CA C 13 57.401 0.004 . . . . . . 30 LYS CA . 19954 1 257 . 1 1 30 30 LYS CB C 13 29.292 0.110 . . . . . . 30 LYS CB . 19954 1 258 . 1 1 30 30 LYS N N 15 124.214 0.034 . . . . . . 30 LYS N . 19954 1 259 . 1 1 31 31 LYS H H 1 7.462 0.010 . . . . . . 31 LYS H . 19954 1 260 . 1 1 31 31 LYS HA H 1 4.040 0.005 . . . . . . 31 LYS HA . 19954 1 261 . 1 1 31 31 LYS HB2 H 1 1.891 0.012 . . . . . . 31 LYS QB . 19954 1 262 . 1 1 31 31 LYS HB3 H 1 1.891 0.012 . . . . . . 31 LYS QB . 19954 1 263 . 1 1 31 31 LYS HG2 H 1 1.331 0.015 . . . . . . 31 LYS HG2 . 19954 1 264 . 1 1 31 31 LYS HG3 H 1 1.535 0.008 . . . . . . 31 LYS HG3 . 19954 1 265 . 1 1 31 31 LYS HD2 H 1 1.501 0.007 . . . . . . 31 LYS QD . 19954 1 266 . 1 1 31 31 LYS HD3 H 1 1.501 0.007 . . . . . . 31 LYS QD . 19954 1 267 . 1 1 31 31 LYS CA C 13 57.618 0.095 . . . . . . 31 LYS CA . 19954 1 268 . 1 1 31 31 LYS CB C 13 30.185 0.031 . . . . . . 31 LYS CB . 19954 1 269 . 1 1 31 31 LYS CG C 13 22.728 0.172 . . . . . . 31 LYS CG . 19954 1 270 . 1 1 31 31 LYS CD C 13 27.016 0.000 . . . . . . 31 LYS CD . 19954 1 271 . 1 1 31 31 LYS N N 15 120.404 0.019 . . . . . . 31 LYS N . 19954 1 272 . 1 1 32 32 LEU H H 1 8.187 0.009 . . . . . . 32 LEU H . 19954 1 273 . 1 1 32 32 LEU HA H 1 4.061 0.012 . . . . . . 32 LEU HA . 19954 1 274 . 1 1 32 32 LEU HB2 H 1 1.273 0.007 . . . . . . 32 LEU HB2 . 19954 1 275 . 1 1 32 32 LEU HB3 H 1 1.995 0.018 . . . . . . 32 LEU HB3 . 19954 1 276 . 1 1 32 32 LEU HG H 1 1.842 0.023 . . . . . . 32 LEU HG . 19954 1 277 . 1 1 32 32 LEU HD11 H 1 -0.045 0.005 . . . . . . 32 LEU QD1 . 19954 1 278 . 1 1 32 32 LEU HD12 H 1 -0.045 0.005 . . . . . . 32 LEU QD1 . 19954 1 279 . 1 1 32 32 LEU HD13 H 1 -0.045 0.005 . . . . . . 32 LEU QD1 . 19954 1 280 . 1 1 32 32 LEU HD21 H 1 0.345 0.008 . . . . . . 32 LEU QD2 . 19954 1 281 . 1 1 32 32 LEU HD22 H 1 0.345 0.008 . . . . . . 32 LEU QD2 . 19954 1 282 . 1 1 32 32 LEU HD23 H 1 0.345 0.008 . . . . . . 32 LEU QD2 . 19954 1 283 . 1 1 32 32 LEU CA C 13 55.410 0.215 . . . . . . 32 LEU CA . 19954 1 284 . 1 1 32 32 LEU CB C 13 39.782 0.102 . . . . . . 32 LEU CB . 19954 1 285 . 1 1 32 32 LEU CG C 13 23.626 0.150 . . . . . . 32 LEU CG . 19954 1 286 . 1 1 32 32 LEU CD1 C 13 20.592 0.055 . . . . . . 32 LEU CD1 . 19954 1 287 . 1 1 32 32 LEU CD2 C 13 25.941 0.072 . . . . . . 32 LEU CD2 . 19954 1 288 . 1 1 32 32 LEU N N 15 118.350 0.019 . . . . . . 32 LEU N . 19954 1 289 . 1 1 33 33 THR H H 1 8.065 0.008 . . . . . . 33 THR H . 19954 1 290 . 1 1 33 33 THR HA H 1 3.663 0.009 . . . . . . 33 THR HA . 19954 1 291 . 1 1 33 33 THR HB H 1 4.293 0.007 . . . . . . 33 THR HB . 19954 1 292 . 1 1 33 33 THR HG21 H 1 0.987 0.007 . . . . . . 33 THR QG2 . 19954 1 293 . 1 1 33 33 THR HG22 H 1 0.987 0.007 . . . . . . 33 THR QG2 . 19954 1 294 . 1 1 33 33 THR HG23 H 1 0.987 0.007 . . . . . . 33 THR QG2 . 19954 1 295 . 1 1 33 33 THR CA C 13 64.722 0.092 . . . . . . 33 THR CA . 19954 1 296 . 1 1 33 33 THR CB C 13 66.086 0.022 . . . . . . 33 THR CB . 19954 1 297 . 1 1 33 33 THR CG2 C 13 18.569 0.149 . . . . . . 33 THR CG2 . 19954 1 298 . 1 1 33 33 THR N N 15 116.500 0.011 . . . . . . 33 THR N . 19954 1 299 . 1 1 34 34 THR H H 1 8.682 0.011 . . . . . . 34 THR H . 19954 1 300 . 1 1 34 34 THR HA H 1 3.760 0.007 . . . . . . 34 THR HA . 19954 1 301 . 1 1 34 34 THR HB H 1 4.132 0.012 . . . . . . 34 THR HB . 19954 1 302 . 1 1 34 34 THR HG21 H 1 1.172 0.007 . . . . . . 34 THR QG2 . 19954 1 303 . 1 1 34 34 THR HG22 H 1 1.172 0.007 . . . . . . 34 THR QG2 . 19954 1 304 . 1 1 34 34 THR HG23 H 1 1.172 0.007 . . . . . . 34 THR QG2 . 19954 1 305 . 1 1 34 34 THR CA C 13 64.291 0.131 . . . . . . 34 THR CA . 19954 1 306 . 1 1 34 34 THR CB C 13 66.727 0.065 . . . . . . 34 THR CB . 19954 1 307 . 1 1 34 34 THR CG2 C 13 19.321 0.111 . . . . . . 34 THR CG2 . 19954 1 308 . 1 1 34 34 THR N N 15 119.033 0.017 . . . . . . 34 THR N . 19954 1 309 . 1 1 35 35 TYR H H 1 7.672 0.009 . . . . . . 35 TYR H . 19954 1 310 . 1 1 35 35 TYR HA H 1 4.203 0.014 . . . . . . 35 TYR HA . 19954 1 311 . 1 1 35 35 TYR HB2 H 1 3.181 0.009 . . . . . . 35 TYR HB2 . 19954 1 312 . 1 1 35 35 TYR HB3 H 1 3.303 0.011 . . . . . . 35 TYR HB3 . 19954 1 313 . 1 1 35 35 TYR HD1 H 1 6.693 0.022 . . . . . . 35 TYR QD . 19954 1 314 . 1 1 35 35 TYR HD2 H 1 6.693 0.022 . . . . . . 35 TYR QD . 19954 1 315 . 1 1 35 35 TYR HE1 H 1 6.484 0.016 . . . . . . 35 TYR QE . 19954 1 316 . 1 1 35 35 TYR HE2 H 1 6.484 0.016 . . . . . . 35 TYR QE . 19954 1 317 . 1 1 35 35 TYR CA C 13 60.154 0.122 . . . . . . 35 TYR CA . 19954 1 318 . 1 1 35 35 TYR CB C 13 36.010 0.267 . . . . . . 35 TYR CB . 19954 1 319 . 1 1 35 35 TYR N N 15 120.329 0.039 . . . . . . 35 TYR N . 19954 1 320 . 1 1 36 36 ALA H H 1 8.546 0.010 . . . . . . 36 ALA H . 19954 1 321 . 1 1 36 36 ALA HA H 1 3.913 0.010 . . . . . . 36 ALA HA . 19954 1 322 . 1 1 36 36 ALA HB1 H 1 1.445 0.006 . . . . . . 36 ALA QB . 19954 1 323 . 1 1 36 36 ALA HB2 H 1 1.445 0.006 . . . . . . 36 ALA QB . 19954 1 324 . 1 1 36 36 ALA HB3 H 1 1.445 0.006 . . . . . . 36 ALA QB . 19954 1 325 . 1 1 36 36 ALA CA C 13 53.096 0.084 . . . . . . 36 ALA CA . 19954 1 326 . 1 1 36 36 ALA CB C 13 14.873 0.100 . . . . . . 36 ALA CB . 19954 1 327 . 1 1 36 36 ALA N N 15 121.466 0.028 . . . . . . 36 ALA N . 19954 1 328 . 1 1 37 37 LEU H H 1 8.350 0.009 . . . . . . 37 LEU H . 19954 1 329 . 1 1 37 37 LEU HA H 1 4.103 0.012 . . . . . . 37 LEU HA . 19954 1 330 . 1 1 37 37 LEU HB2 H 1 1.426 0.007 . . . . . . 37 LEU HB2 . 19954 1 331 . 1 1 37 37 LEU HB3 H 1 1.895 0.004 . . . . . . 37 LEU HB3 . 19954 1 332 . 1 1 37 37 LEU HG H 1 1.655 0.010 . . . . . . 37 LEU HG . 19954 1 333 . 1 1 37 37 LEU HD11 H 1 0.868 0.008 . . . . . . 37 LEU QD1 . 19954 1 334 . 1 1 37 37 LEU HD12 H 1 0.868 0.008 . . . . . . 37 LEU QD1 . 19954 1 335 . 1 1 37 37 LEU HD13 H 1 0.868 0.008 . . . . . . 37 LEU QD1 . 19954 1 336 . 1 1 37 37 LEU HD21 H 1 0.848 0.003 . . . . . . 37 LEU QD2 . 19954 1 337 . 1 1 37 37 LEU HD22 H 1 0.848 0.003 . . . . . . 37 LEU QD2 . 19954 1 338 . 1 1 37 37 LEU HD23 H 1 0.848 0.003 . . . . . . 37 LEU QD2 . 19954 1 339 . 1 1 37 37 LEU CA C 13 54.840 0.123 . . . . . . 37 LEU CA . 19954 1 340 . 1 1 37 37 LEU CB C 13 40.182 0.211 . . . . . . 37 LEU CB . 19954 1 341 . 1 1 37 37 LEU CG C 13 25.028 0.000 . . . . . . 37 LEU CG . 19954 1 342 . 1 1 37 37 LEU CD1 C 13 20.280 0.082 . . . . . . 37 LEU CD1 . 19954 1 343 . 1 1 37 37 LEU CD2 C 13 23.008 0.118 . . . . . . 37 LEU CD2 . 19954 1 344 . 1 1 37 37 LEU N N 15 120.724 0.024 . . . . . . 37 LEU N . 19954 1 345 . 1 1 38 38 ASP H H 1 7.560 0.008 . . . . . . 38 ASP H . 19954 1 346 . 1 1 38 38 ASP HA H 1 4.464 0.008 . . . . . . 38 ASP HA . 19954 1 347 . 1 1 38 38 ASP HB2 H 1 2.084 0.011 . . . . . . 38 ASP HB2 . 19954 1 348 . 1 1 38 38 ASP HB3 H 1 2.361 0.007 . . . . . . 38 ASP HB3 . 19954 1 349 . 1 1 38 38 ASP CA C 13 52.140 0.098 . . . . . . 38 ASP CA . 19954 1 350 . 1 1 38 38 ASP CB C 13 38.899 0.062 . . . . . . 38 ASP CB . 19954 1 351 . 1 1 38 38 ASP N N 15 119.033 0.036 . . . . . . 38 ASP N . 19954 1 352 . 1 1 39 39 HIS H H 1 7.098 0.018 . . . . . . 39 HIS H . 19954 1 353 . 1 1 39 39 HIS HA H 1 4.629 0.015 . . . . . . 39 HIS HA . 19954 1 354 . 1 1 39 39 HIS HB2 H 1 2.139 0.012 . . . . . . 39 HIS HB2 . 19954 1 355 . 1 1 39 39 HIS HB3 H 1 3.198 0.006 . . . . . . 39 HIS HB3 . 19954 1 356 . 1 1 39 39 HIS CA C 13 52.146 0.108 . . . . . . 39 HIS CA . 19954 1 357 . 1 1 39 39 HIS CB C 13 25.506 0.131 . . . . . . 39 HIS CB . 19954 1 358 . 1 1 39 39 HIS N N 15 118.154 0.029 . . . . . . 39 HIS N . 19954 1 359 . 1 1 40 40 ILE H H 1 7.643 0.009 . . . . . . 40 ILE H . 19954 1 360 . 1 1 40 40 ILE HA H 1 3.421 0.008 . . . . . . 40 ILE HA . 19954 1 361 . 1 1 40 40 ILE HB H 1 1.357 0.006 . . . . . . 40 ILE HB . 19954 1 362 . 1 1 40 40 ILE HG12 H 1 1.774 0.012 . . . . . . 40 ILE QG1 . 19954 1 363 . 1 1 40 40 ILE HG13 H 1 1.774 0.012 . . . . . . 40 ILE QG1 . 19954 1 364 . 1 1 40 40 ILE HG21 H 1 0.583 0.010 . . . . . . 40 ILE QG2 . 19954 1 365 . 1 1 40 40 ILE HG22 H 1 0.583 0.010 . . . . . . 40 ILE QG2 . 19954 1 366 . 1 1 40 40 ILE HG23 H 1 0.583 0.010 . . . . . . 40 ILE QG2 . 19954 1 367 . 1 1 40 40 ILE HD11 H 1 0.670 0.007 . . . . . . 40 ILE QD1 . 19954 1 368 . 1 1 40 40 ILE HD12 H 1 0.670 0.007 . . . . . . 40 ILE QD1 . 19954 1 369 . 1 1 40 40 ILE HD13 H 1 0.670 0.007 . . . . . . 40 ILE QD1 . 19954 1 370 . 1 1 40 40 ILE CA C 13 62.593 0.178 . . . . . . 40 ILE CA . 19954 1 371 . 1 1 40 40 ILE CB C 13 36.173 0.077 . . . . . . 40 ILE CB . 19954 1 372 . 1 1 40 40 ILE CG1 C 13 27.469 0.148 . . . . . . 40 ILE CG1 . 19954 1 373 . 1 1 40 40 ILE CG2 C 13 15.906 0.081 . . . . . . 40 ILE CG2 . 19954 1 374 . 1 1 40 40 ILE CD1 C 13 12.309 0.043 . . . . . . 40 ILE CD1 . 19954 1 375 . 1 1 40 40 ILE N N 15 121.897 0.018 . . . . . . 40 ILE N . 19954 1 376 . 1 1 41 41 ASP H H 1 8.444 0.008 . . . . . . 41 ASP H . 19954 1 377 . 1 1 41 41 ASP HA H 1 4.187 0.011 . . . . . . 41 ASP HA . 19954 1 378 . 1 1 41 41 ASP HB2 H 1 2.519 0.012 . . . . . . 41 ASP HB2 . 19954 1 379 . 1 1 41 41 ASP HB3 H 1 2.616 0.002 . . . . . . 41 ASP HB3 . 19954 1 380 . 1 1 41 41 ASP CA C 13 54.016 0.228 . . . . . . 41 ASP CA . 19954 1 381 . 1 1 41 41 ASP CB C 13 36.836 0.032 . . . . . . 41 ASP CB . 19954 1 382 . 1 1 41 41 ASP N N 15 114.896 0.022 . . . . . . 41 ASP N . 19954 1 383 . 1 1 42 42 ILE H H 1 7.456 0.007 . . . . . . 42 ILE H . 19954 1 384 . 1 1 42 42 ILE HA H 1 4.713 0.013 . . . . . . 42 ILE HA . 19954 1 385 . 1 1 42 42 ILE HB H 1 1.988 0.009 . . . . . . 42 ILE HB . 19954 1 386 . 1 1 42 42 ILE HG12 H 1 1.031 0.006 . . . . . . 42 ILE HG12 . 19954 1 387 . 1 1 42 42 ILE HG13 H 1 1.542 0.023 . . . . . . 42 ILE HG13 . 19954 1 388 . 1 1 42 42 ILE HG21 H 1 0.740 0.008 . . . . . . 42 ILE QG2 . 19954 1 389 . 1 1 42 42 ILE HG22 H 1 0.740 0.008 . . . . . . 42 ILE QG2 . 19954 1 390 . 1 1 42 42 ILE HG23 H 1 0.740 0.008 . . . . . . 42 ILE QG2 . 19954 1 391 . 1 1 42 42 ILE CA C 13 58.241 0.100 . . . . . . 42 ILE CA . 19954 1 392 . 1 1 42 42 ILE CB C 13 34.896 0.108 . . . . . . 42 ILE CB . 19954 1 393 . 1 1 42 42 ILE CG1 C 13 25.498 0.090 . . . . . . 42 ILE CG1 . 19954 1 394 . 1 1 42 42 ILE CG2 C 13 15.313 0.130 . . . . . . 42 ILE CG2 . 19954 1 395 . 1 1 42 42 ILE N N 15 113.813 0.025 . . . . . . 42 ILE N . 19954 1 396 . 1 1 43 43 GLU H H 1 8.202 0.009 . . . . . . 43 GLU H . 19954 1 397 . 1 1 43 43 GLU HA H 1 4.046 0.015 . . . . . . 43 GLU HA . 19954 1 398 . 1 1 43 43 GLU HB2 H 1 2.289 0.011 . . . . . . 43 GLU HB2 . 19954 1 399 . 1 1 43 43 GLU HB3 H 1 2.460 0.018 . . . . . . 43 GLU HB3 . 19954 1 400 . 1 1 43 43 GLU HG2 H 1 2.480 0.009 . . . . . . 43 GLU QG . 19954 1 401 . 1 1 43 43 GLU HG3 H 1 2.480 0.009 . . . . . . 43 GLU QG . 19954 1 402 . 1 1 43 43 GLU CA C 13 56.768 0.233 . . . . . . 43 GLU CA . 19954 1 403 . 1 1 43 43 GLU CB C 13 24.017 0.151 . . . . . . 43 GLU CB . 19954 1 404 . 1 1 43 43 GLU CG C 13 30.278 0.108 . . . . . . 43 GLU CG . 19954 1 405 . 1 1 43 43 GLU N N 15 120.843 0.038 . . . . . . 43 GLU N . 19954 1 406 . 1 1 44 44 SER H H 1 8.743 0.011 . . . . . . 44 SER H . 19954 1 407 . 1 1 44 44 SER HA H 1 3.940 0.005 . . . . . . 44 SER HA . 19954 1 408 . 1 1 44 44 SER HB2 H 1 3.713 0.002 . . . . . . 44 SER HB2 . 19954 1 409 . 1 1 44 44 SER HB3 H 1 3.833 0.019 . . . . . . 44 SER HB3 . 19954 1 410 . 1 1 44 44 SER CA C 13 59.590 0.121 . . . . . . 44 SER CA . 19954 1 411 . 1 1 44 44 SER CB C 13 59.989 0.122 . . . . . . 44 SER CB . 19954 1 412 . 1 1 44 44 SER N N 15 113.802 0.024 . . . . . . 44 SER N . 19954 1 413 . 1 1 45 45 LYS H H 1 7.333 0.010 . . . . . . 45 LYS H . 19954 1 414 . 1 1 45 45 LYS HA H 1 4.079 0.007 . . . . . . 45 LYS HA . 19954 1 415 . 1 1 45 45 LYS HB2 H 1 1.554 0.009 . . . . . . 45 LYS HB2 . 19954 1 416 . 1 1 45 45 LYS HB3 H 1 1.602 0.007 . . . . . . 45 LYS HB3 . 19954 1 417 . 1 1 45 45 LYS HG2 H 1 1.171 0.016 . . . . . . 45 LYS HG2 . 19954 1 418 . 1 1 45 45 LYS HG3 H 1 1.238 0.016 . . . . . . 45 LYS HG3 . 19954 1 419 . 1 1 45 45 LYS HD2 H 1 1.990 0.003 . . . . . . 45 LYS QD . 19954 1 420 . 1 1 45 45 LYS HD3 H 1 1.990 0.003 . . . . . . 45 LYS QD . 19954 1 421 . 1 1 45 45 LYS HE2 H 1 2.202 0.012 . . . . . . 45 LYS HE2 . 19954 1 422 . 1 1 45 45 LYS HE3 H 1 2.390 0.009 . . . . . . 45 LYS HE3 . 19954 1 423 . 1 1 45 45 LYS CA C 13 56.190 0.154 . . . . . . 45 LYS CA . 19954 1 424 . 1 1 45 45 LYS CB C 13 30.477 0.117 . . . . . . 45 LYS CB . 19954 1 425 . 1 1 45 45 LYS CG C 13 22.385 0.064 . . . . . . 45 LYS CG . 19954 1 426 . 1 1 45 45 LYS CE C 13 38.908 0.041 . . . . . . 45 LYS CE . 19954 1 427 . 1 1 45 45 LYS N N 15 121.257 0.030 . . . . . . 45 LYS N . 19954 1 428 . 1 1 46 46 ILE H H 1 7.354 0.012 . . . . . . 46 ILE H . 19954 1 429 . 1 1 46 46 ILE HA H 1 3.364 0.006 . . . . . . 46 ILE HA . 19954 1 430 . 1 1 46 46 ILE HB H 1 1.816 0.012 . . . . . . 46 ILE HB . 19954 1 431 . 1 1 46 46 ILE HG12 H 1 0.288 0.010 . . . . . . 46 ILE HG12 . 19954 1 432 . 1 1 46 46 ILE HG13 H 1 1.564 0.011 . . . . . . 46 ILE HG13 . 19954 1 433 . 1 1 46 46 ILE HG21 H 1 0.704 0.006 . . . . . . 46 ILE QG2 . 19954 1 434 . 1 1 46 46 ILE HG22 H 1 0.704 0.006 . . . . . . 46 ILE QG2 . 19954 1 435 . 1 1 46 46 ILE HG23 H 1 0.704 0.006 . . . . . . 46 ILE QG2 . 19954 1 436 . 1 1 46 46 ILE HD11 H 1 0.719 0.004 . . . . . . 46 ILE QD1 . 19954 1 437 . 1 1 46 46 ILE HD12 H 1 0.719 0.004 . . . . . . 46 ILE QD1 . 19954 1 438 . 1 1 46 46 ILE HD13 H 1 0.719 0.004 . . . . . . 46 ILE QD1 . 19954 1 439 . 1 1 46 46 ILE CA C 13 63.259 0.121 . . . . . . 46 ILE CA . 19954 1 440 . 1 1 46 46 ILE CB C 13 36.892 0.048 . . . . . . 46 ILE CB . 19954 1 441 . 1 1 46 46 ILE CG1 C 13 26.569 0.152 . . . . . . 46 ILE CG1 . 19954 1 442 . 1 1 46 46 ILE CG2 C 13 13.597 0.194 . . . . . . 46 ILE CG2 . 19954 1 443 . 1 1 46 46 ILE CD1 C 13 12.306 0.021 . . . . . . 46 ILE CD1 . 19954 1 444 . 1 1 46 46 ILE N N 15 121.022 0.015 . . . . . . 46 ILE N . 19954 1 445 . 1 1 47 47 ILE H H 1 9.381 0.011 . . . . . . 47 ILE H . 19954 1 446 . 1 1 47 47 ILE HA H 1 3.740 0.011 . . . . . . 47 ILE HA . 19954 1 447 . 1 1 47 47 ILE HB H 1 2.324 0.015 . . . . . . 47 ILE HB . 19954 1 448 . 1 1 47 47 ILE HG12 H 1 1.473 0.012 . . . . . . 47 ILE HG12 . 19954 1 449 . 1 1 47 47 ILE HG13 H 1 2.078 0.010 . . . . . . 47 ILE HG13 . 19954 1 450 . 1 1 47 47 ILE HG21 H 1 0.798 0.012 . . . . . . 47 ILE QG2 . 19954 1 451 . 1 1 47 47 ILE HG22 H 1 0.798 0.012 . . . . . . 47 ILE QG2 . 19954 1 452 . 1 1 47 47 ILE HG23 H 1 0.798 0.012 . . . . . . 47 ILE QG2 . 19954 1 453 . 1 1 47 47 ILE HD11 H 1 0.600 0.004 . . . . . . 47 ILE QD1 . 19954 1 454 . 1 1 47 47 ILE HD12 H 1 0.600 0.004 . . . . . . 47 ILE QD1 . 19954 1 455 . 1 1 47 47 ILE HD13 H 1 0.600 0.004 . . . . . . 47 ILE QD1 . 19954 1 456 . 1 1 47 47 ILE CA C 13 58.567 0.072 . . . . . . 47 ILE CA . 19954 1 457 . 1 1 47 47 ILE CB C 13 32.038 0.077 . . . . . . 47 ILE CB . 19954 1 458 . 1 1 47 47 ILE CG1 C 13 25.540 0.127 . . . . . . 47 ILE CG1 . 19954 1 459 . 1 1 47 47 ILE CG2 C 13 15.991 0.169 . . . . . . 47 ILE CG2 . 19954 1 460 . 1 1 47 47 ILE CD1 C 13 6.290 0.016 . . . . . . 47 ILE CD1 . 19954 1 461 . 1 1 47 47 ILE N N 15 118.571 0.025 . . . . . . 47 ILE N . 19954 1 462 . 1 1 48 48 SER H H 1 7.391 0.010 . . . . . . 48 SER H . 19954 1 463 . 1 1 48 48 SER HA H 1 4.017 0.007 . . . . . . 48 SER HA . 19954 1 464 . 1 1 48 48 SER HB2 H 1 3.903 0.007 . . . . . . 48 SER QB . 19954 1 465 . 1 1 48 48 SER HB3 H 1 3.903 0.007 . . . . . . 48 SER QB . 19954 1 466 . 1 1 48 48 SER CA C 13 59.574 0.130 . . . . . . 48 SER CA . 19954 1 467 . 1 1 48 48 SER CB C 13 60.499 0.006 . . . . . . 48 SER CB . 19954 1 468 . 1 1 48 48 SER N N 15 113.052 0.025 . . . . . . 48 SER N . 19954 1 469 . 1 1 49 49 LEU H H 1 7.483 0.009 . . . . . . 49 LEU H . 19954 1 470 . 1 1 49 49 LEU HA H 1 4.170 0.006 . . . . . . 49 LEU HA . 19954 1 471 . 1 1 49 49 LEU HB2 H 1 1.631 0.010 . . . . . . 49 LEU HB2 . 19954 1 472 . 1 1 49 49 LEU HB3 H 1 2.009 0.015 . . . . . . 49 LEU HB3 . 19954 1 473 . 1 1 49 49 LEU HG H 1 1.781 0.011 . . . . . . 49 LEU HG . 19954 1 474 . 1 1 49 49 LEU HD11 H 1 0.921 0.016 . . . . . . 49 LEU QD1 . 19954 1 475 . 1 1 49 49 LEU HD12 H 1 0.921 0.016 . . . . . . 49 LEU QD1 . 19954 1 476 . 1 1 49 49 LEU HD13 H 1 0.921 0.016 . . . . . . 49 LEU QD1 . 19954 1 477 . 1 1 49 49 LEU HD21 H 1 0.987 0.007 . . . . . . 49 LEU QD2 . 19954 1 478 . 1 1 49 49 LEU HD22 H 1 0.987 0.007 . . . . . . 49 LEU QD2 . 19954 1 479 . 1 1 49 49 LEU HD23 H 1 0.987 0.007 . . . . . . 49 LEU QD2 . 19954 1 480 . 1 1 49 49 LEU CA C 13 55.666 0.153 . . . . . . 49 LEU CA . 19954 1 481 . 1 1 49 49 LEU CB C 13 39.750 0.054 . . . . . . 49 LEU CB . 19954 1 482 . 1 1 49 49 LEU CG C 13 24.993 0.124 . . . . . . 49 LEU CG . 19954 1 483 . 1 1 49 49 LEU CD1 C 13 23.026 0.042 . . . . . . 49 LEU CD1 . 19954 1 484 . 1 1 49 49 LEU CD2 C 13 23.394 0.110 . . . . . . 49 LEU CD2 . 19954 1 485 . 1 1 49 49 LEU N N 15 119.986 0.058 . . . . . . 49 LEU N . 19954 1 486 . 1 1 50 50 ILE H H 1 8.091 0.011 . . . . . . 50 ILE H . 19954 1 487 . 1 1 50 50 ILE HA H 1 4.093 0.008 . . . . . . 50 ILE HA . 19954 1 488 . 1 1 50 50 ILE HB H 1 2.168 0.014 . . . . . . 50 ILE HB . 19954 1 489 . 1 1 50 50 ILE HG21 H 1 0.874 0.011 . . . . . . 50 ILE QG2 . 19954 1 490 . 1 1 50 50 ILE HG22 H 1 0.874 0.011 . . . . . . 50 ILE QG2 . 19954 1 491 . 1 1 50 50 ILE HG23 H 1 0.874 0.011 . . . . . . 50 ILE QG2 . 19954 1 492 . 1 1 50 50 ILE HD11 H 1 0.710 0.013 . . . . . . 50 ILE QD1 . 19954 1 493 . 1 1 50 50 ILE HD12 H 1 0.710 0.013 . . . . . . 50 ILE QD1 . 19954 1 494 . 1 1 50 50 ILE HD13 H 1 0.710 0.013 . . . . . . 50 ILE QD1 . 19954 1 495 . 1 1 50 50 ILE CA C 13 62.764 0.097 . . . . . . 50 ILE CA . 19954 1 496 . 1 1 50 50 ILE CG2 C 13 14.945 0.086 . . . . . . 50 ILE CG2 . 19954 1 497 . 1 1 50 50 ILE CD1 C 13 12.470 0.185 . . . . . . 50 ILE CD1 . 19954 1 498 . 1 1 50 50 ILE N N 15 115.465 0.040 . . . . . . 50 ILE N . 19954 1 499 . 1 1 51 51 ILE H H 1 8.205 0.010 . . . . . . 51 ILE H . 19954 1 500 . 1 1 51 51 ILE HA H 1 3.450 0.012 . . . . . . 51 ILE HA . 19954 1 501 . 1 1 51 51 ILE HB H 1 1.787 0.008 . . . . . . 51 ILE HB . 19954 1 502 . 1 1 51 51 ILE HG12 H 1 1.356 0.013 . . . . . . 51 ILE QG1 . 19954 1 503 . 1 1 51 51 ILE HG13 H 1 1.356 0.013 . . . . . . 51 ILE QG1 . 19954 1 504 . 1 1 51 51 ILE HG21 H 1 0.790 0.007 . . . . . . 51 ILE QG2 . 19954 1 505 . 1 1 51 51 ILE HG22 H 1 0.790 0.007 . . . . . . 51 ILE QG2 . 19954 1 506 . 1 1 51 51 ILE HG23 H 1 0.790 0.007 . . . . . . 51 ILE QG2 . 19954 1 507 . 1 1 51 51 ILE HD11 H 1 0.629 0.007 . . . . . . 51 ILE QD1 . 19954 1 508 . 1 1 51 51 ILE HD12 H 1 0.629 0.007 . . . . . . 51 ILE QD1 . 19954 1 509 . 1 1 51 51 ILE HD13 H 1 0.629 0.007 . . . . . . 51 ILE QD1 . 19954 1 510 . 1 1 51 51 ILE CA C 13 64.148 0.201 . . . . . . 51 ILE CA . 19954 1 511 . 1 1 51 51 ILE CB C 13 35.718 0.081 . . . . . . 51 ILE CB . 19954 1 512 . 1 1 51 51 ILE CG2 C 13 14.448 0.111 . . . . . . 51 ILE CG2 . 19954 1 513 . 1 1 51 51 ILE CD1 C 13 13.082 0.096 . . . . . . 51 ILE CD1 . 19954 1 514 . 1 1 51 51 ILE N N 15 125.143 0.014 . . . . . . 51 ILE N . 19954 1 515 . 1 1 52 52 ASP H H 1 7.859 0.013 . . . . . . 52 ASP H . 19954 1 516 . 1 1 52 52 ASP HA H 1 4.243 0.025 . . . . . . 52 ASP HA . 19954 1 517 . 1 1 52 52 ASP HB2 H 1 2.480 0.006 . . . . . . 52 ASP HB2 . 19954 1 518 . 1 1 52 52 ASP HB3 H 1 2.694 0.008 . . . . . . 52 ASP HB3 . 19954 1 519 . 1 1 52 52 ASP CA C 13 54.952 0.061 . . . . . . 52 ASP CA . 19954 1 520 . 1 1 52 52 ASP CB C 13 37.865 0.112 . . . . . . 52 ASP CB . 19954 1 521 . 1 1 52 52 ASP N N 15 119.528 0.015 . . . . . . 52 ASP N . 19954 1 522 . 1 1 53 53 TYR H H 1 8.270 0.012 . . . . . . 53 TYR H . 19954 1 523 . 1 1 53 53 TYR HA H 1 3.889 0.016 . . . . . . 53 TYR HA . 19954 1 524 . 1 1 53 53 TYR HB2 H 1 2.781 0.011 . . . . . . 53 TYR HB2 . 19954 1 525 . 1 1 53 53 TYR HB3 H 1 2.992 0.020 . . . . . . 53 TYR HB3 . 19954 1 526 . 1 1 53 53 TYR HD1 H 1 6.990 0.026 . . . . . . 53 TYR QD . 19954 1 527 . 1 1 53 53 TYR HD2 H 1 6.990 0.026 . . . . . . 53 TYR QD . 19954 1 528 . 1 1 53 53 TYR HE1 H 1 6.311 0.031 . . . . . . 53 TYR QE . 19954 1 529 . 1 1 53 53 TYR HE2 H 1 6.311 0.031 . . . . . . 53 TYR QE . 19954 1 530 . 1 1 53 53 TYR CA C 13 59.769 0.222 . . . . . . 53 TYR CA . 19954 1 531 . 1 1 53 53 TYR CB C 13 35.865 0.150 . . . . . . 53 TYR CB . 19954 1 532 . 1 1 53 53 TYR N N 15 118.392 0.033 . . . . . . 53 TYR N . 19954 1 533 . 1 1 54 54 SER H H 1 7.326 0.008 . . . . . . 54 SER H . 19954 1 534 . 1 1 54 54 SER HA H 1 4.057 0.004 . . . . . . 54 SER HA . 19954 1 535 . 1 1 54 54 SER HB2 H 1 3.815 0.008 . . . . . . 54 SER QB . 19954 1 536 . 1 1 54 54 SER HB3 H 1 3.815 0.008 . . . . . . 54 SER QB . 19954 1 537 . 1 1 54 54 SER CA C 13 58.733 0.306 . . . . . . 54 SER CA . 19954 1 538 . 1 1 54 54 SER CB C 13 62.430 0.158 . . . . . . 54 SER CB . 19954 1 539 . 1 1 54 54 SER N N 15 111.646 0.030 . . . . . . 54 SER N . 19954 1 540 . 1 1 55 55 ARG H H 1 7.918 0.010 . . . . . . 55 ARG H . 19954 1 541 . 1 1 55 55 ARG HA H 1 4.176 0.008 . . . . . . 55 ARG HA . 19954 1 542 . 1 1 55 55 ARG HB2 H 1 1.594 0.013 . . . . . . 55 ARG HB2 . 19954 1 543 . 1 1 55 55 ARG HB3 H 1 1.759 0.016 . . . . . . 55 ARG HB3 . 19954 1 544 . 1 1 55 55 ARG HG2 H 1 0.657 0.003 . . . . . . 55 ARG HG2 . 19954 1 545 . 1 1 55 55 ARG HG3 H 1 0.790 0.001 . . . . . . 55 ARG HG3 . 19954 1 546 . 1 1 55 55 ARG HD2 H 1 2.871 0.006 . . . . . . 55 ARG HD2 . 19954 1 547 . 1 1 55 55 ARG HD3 H 1 3.040 0.010 . . . . . . 55 ARG HD3 . 19954 1 548 . 1 1 55 55 ARG HE H 1 7.648 0.008 . . . . . . 55 ARG HE . 19954 1 549 . 1 1 55 55 ARG CA C 13 56.284 0.148 . . . . . . 55 ARG CA . 19954 1 550 . 1 1 55 55 ARG CB C 13 28.294 0.062 . . . . . . 55 ARG CB . 19954 1 551 . 1 1 55 55 ARG CD C 13 40.977 0.056 . . . . . . 55 ARG CD . 19954 1 552 . 1 1 55 55 ARG N N 15 114.874 0.046 . . . . . . 55 ARG N . 19954 1 553 . 1 1 55 55 ARG NE N 15 110.237 0.035 . . . . . . 55 ARG NE . 19954 1 554 . 1 1 56 56 LEU H H 1 7.798 0.009 . . . . . . 56 LEU H . 19954 1 555 . 1 1 56 56 LEU HA H 1 4.204 0.007 . . . . . . 56 LEU HA . 19954 1 556 . 1 1 56 56 LEU HB2 H 1 1.311 0.008 . . . . . . 56 LEU HB2 . 19954 1 557 . 1 1 56 56 LEU HB3 H 1 1.549 0.009 . . . . . . 56 LEU HB3 . 19954 1 558 . 1 1 56 56 LEU HG H 1 1.574 0.011 . . . . . . 56 LEU HG . 19954 1 559 . 1 1 56 56 LEU HD11 H 1 0.640 0.010 . . . . . . 56 LEU QD1 . 19954 1 560 . 1 1 56 56 LEU HD12 H 1 0.640 0.010 . . . . . . 56 LEU QD1 . 19954 1 561 . 1 1 56 56 LEU HD13 H 1 0.640 0.010 . . . . . . 56 LEU QD1 . 19954 1 562 . 1 1 56 56 LEU CA C 13 52.800 0.219 . . . . . . 56 LEU CA . 19954 1 563 . 1 1 56 56 LEU CB C 13 40.868 0.153 . . . . . . 56 LEU CB . 19954 1 564 . 1 1 56 56 LEU CG C 13 24.467 0.109 . . . . . . 56 LEU CG . 19954 1 565 . 1 1 56 56 LEU CD1 C 13 20.162 0.027 . . . . . . 56 LEU CD1 . 19954 1 566 . 1 1 56 56 LEU N N 15 116.308 0.014 . . . . . . 56 LEU N . 19954 1 567 . 1 1 57 57 CYS H H 1 7.725 0.009 . . . . . . 57 CYS H . 19954 1 568 . 1 1 57 57 CYS HA H 1 4.239 0.014 . . . . . . 57 CYS HA . 19954 1 569 . 1 1 57 57 CYS HB2 H 1 1.972 0.009 . . . . . . 57 CYS HB2 . 19954 1 570 . 1 1 57 57 CYS HB3 H 1 2.506 0.009 . . . . . . 57 CYS HB3 . 19954 1 571 . 1 1 57 57 CYS CA C 13 53.750 0.146 . . . . . . 57 CYS CA . 19954 1 572 . 1 1 57 57 CYS CB C 13 22.080 0.115 . . . . . . 57 CYS CB . 19954 1 573 . 1 1 57 57 CYS N N 15 119.073 0.036 . . . . . . 57 CYS N . 19954 1 574 . 1 1 58 58 PRO HA H 1 4.339 0.004 . . . . . . 58 PRO HA . 19954 1 575 . 1 1 58 58 PRO HB2 H 1 1.685 0.007 . . . . . . 58 PRO HB2 . 19954 1 576 . 1 1 58 58 PRO HB3 H 1 2.237 0.005 . . . . . . 58 PRO HB3 . 19954 1 577 . 1 1 58 58 PRO HG2 H 1 1.379 0.002 . . . . . . 58 PRO HG2 . 19954 1 578 . 1 1 58 58 PRO HG3 H 1 1.671 0.008 . . . . . . 58 PRO HG3 . 19954 1 579 . 1 1 58 58 PRO HD2 H 1 2.944 0.006 . . . . . . 58 PRO HD2 . 19954 1 580 . 1 1 58 58 PRO HD3 H 1 3.522 0.005 . . . . . . 58 PRO HD3 . 19954 1 581 . 1 1 58 58 PRO CA C 13 60.482 0.113 . . . . . . 58 PRO CA . 19954 1 582 . 1 1 58 58 PRO CB C 13 30.198 0.087 . . . . . . 58 PRO CB . 19954 1 583 . 1 1 58 58 PRO CG C 13 24.878 0.060 . . . . . . 58 PRO CG . 19954 1 584 . 1 1 58 58 PRO CD C 13 47.631 0.100 . . . . . . 58 PRO CD . 19954 1 585 . 1 1 59 59 ASP H H 1 8.711 0.008 . . . . . . 59 ASP H . 19954 1 586 . 1 1 59 59 ASP HA H 1 3.913 0.006 . . . . . . 59 ASP HA . 19954 1 587 . 1 1 59 59 ASP HB2 H 1 2.619 0.006 . . . . . . 59 ASP HB2 . 19954 1 588 . 1 1 59 59 ASP HB3 H 1 2.918 0.012 . . . . . . 59 ASP HB3 . 19954 1 589 . 1 1 59 59 ASP CA C 13 55.814 0.177 . . . . . . 59 ASP CA . 19954 1 590 . 1 1 59 59 ASP CB C 13 36.924 0.038 . . . . . . 59 ASP CB . 19954 1 591 . 1 1 59 59 ASP N N 15 123.683 0.042 . . . . . . 59 ASP N . 19954 1 592 . 1 1 60 60 SER H H 1 8.127 0.007 . . . . . . 60 SER H . 19954 1 593 . 1 1 60 60 SER HA H 1 4.103 0.004 . . . . . . 60 SER HA . 19954 1 594 . 1 1 60 60 SER HB2 H 1 3.886 0.017 . . . . . . 60 SER HB2 . 19954 1 595 . 1 1 60 60 SER HB3 H 1 4.182 0.033 . . . . . . 60 SER HB3 . 19954 1 596 . 1 1 60 60 SER CA C 13 57.379 0.075 . . . . . . 60 SER CA . 19954 1 597 . 1 1 60 60 SER CB C 13 61.563 0.069 . . . . . . 60 SER CB . 19954 1 598 . 1 1 60 60 SER N N 15 110.638 0.024 . . . . . . 60 SER N . 19954 1 599 . 1 1 61 61 HIS H H 1 8.136 0.009 . . . . . . 61 HIS H . 19954 1 600 . 1 1 61 61 HIS HA H 1 4.614 0.017 . . . . . . 61 HIS HA . 19954 1 601 . 1 1 61 61 HIS HB2 H 1 2.873 0.015 . . . . . . 61 HIS HB2 . 19954 1 602 . 1 1 61 61 HIS HB3 H 1 3.323 0.015 . . . . . . 61 HIS HB3 . 19954 1 603 . 1 1 61 61 HIS CA C 13 54.721 0.122 . . . . . . 61 HIS CA . 19954 1 604 . 1 1 61 61 HIS CB C 13 29.942 0.080 . . . . . . 61 HIS CB . 19954 1 605 . 1 1 61 61 HIS N N 15 122.412 0.020 . . . . . . 61 HIS N . 19954 1 606 . 1 1 62 62 LYS H H 1 7.523 0.009 . . . . . . 62 LYS H . 19954 1 607 . 1 1 62 62 LYS HA H 1 3.679 0.023 . . . . . . 62 LYS HA . 19954 1 608 . 1 1 62 62 LYS HB2 H 1 2.059 0.005 . . . . . . 62 LYS QB . 19954 1 609 . 1 1 62 62 LYS HB3 H 1 2.059 0.005 . . . . . . 62 LYS QB . 19954 1 610 . 1 1 62 62 LYS HG2 H 1 1.301 0.006 . . . . . . 62 LYS QG . 19954 1 611 . 1 1 62 62 LYS HG3 H 1 1.301 0.006 . . . . . . 62 LYS QG . 19954 1 612 . 1 1 62 62 LYS HD2 H 1 1.648 0.024 . . . . . . 62 LYS QD . 19954 1 613 . 1 1 62 62 LYS HD3 H 1 1.648 0.024 . . . . . . 62 LYS QD . 19954 1 614 . 1 1 62 62 LYS CA C 13 55.707 0.102 . . . . . . 62 LYS CA . 19954 1 615 . 1 1 62 62 LYS CG C 13 24.252 0.000 . . . . . . 62 LYS CG . 19954 1 616 . 1 1 62 62 LYS N N 15 121.660 0.075 . . . . . . 62 LYS N . 19954 1 617 . 1 1 63 63 LEU HA H 1 3.453 0.002 . . . . . . 63 LEU HA . 19954 1 618 . 1 1 63 63 LEU HB2 H 1 0.683 0.006 . . . . . . 63 LEU HB2 . 19954 1 619 . 1 1 63 63 LEU HB3 H 1 1.401 0.020 . . . . . . 63 LEU HB3 . 19954 1 620 . 1 1 63 63 LEU HD11 H 1 0.112 0.004 . . . . . . 63 LEU QD1 . 19954 1 621 . 1 1 63 63 LEU HD12 H 1 0.112 0.004 . . . . . . 63 LEU QD1 . 19954 1 622 . 1 1 63 63 LEU HD13 H 1 0.112 0.004 . . . . . . 63 LEU QD1 . 19954 1 623 . 1 1 63 63 LEU HD21 H 1 0.504 0.007 . . . . . . 63 LEU QD2 . 19954 1 624 . 1 1 63 63 LEU HD22 H 1 0.504 0.007 . . . . . . 63 LEU QD2 . 19954 1 625 . 1 1 63 63 LEU HD23 H 1 0.504 0.007 . . . . . . 63 LEU QD2 . 19954 1 626 . 1 1 63 63 LEU CA C 13 56.577 0.090 . . . . . . 63 LEU CA . 19954 1 627 . 1 1 63 63 LEU CB C 13 38.096 0.063 . . . . . . 63 LEU CB . 19954 1 628 . 1 1 63 63 LEU CD1 C 13 22.991 0.057 . . . . . . 63 LEU CD1 . 19954 1 629 . 1 1 63 63 LEU CD2 C 13 21.119 0.000 . . . . . . 63 LEU CD2 . 19954 1 630 . 1 1 64 64 GLY H H 1 8.623 0.017 . . . . . . 64 GLY H . 19954 1 631 . 1 1 64 64 GLY HA2 H 1 3.394 0.005 . . . . . . 64 GLY HA2 . 19954 1 632 . 1 1 64 64 GLY HA3 H 1 3.831 0.006 . . . . . . 64 GLY HA3 . 19954 1 633 . 1 1 64 64 GLY CA C 13 45.524 0.152 . . . . . . 64 GLY CA . 19954 1 634 . 1 1 64 64 GLY N N 15 105.357 0.020 . . . . . . 64 GLY N . 19954 1 635 . 1 1 65 65 SER H H 1 7.907 0.010 . . . . . . 65 SER H . 19954 1 636 . 1 1 65 65 SER HA H 1 4.265 0.014 . . . . . . 65 SER HA . 19954 1 637 . 1 1 65 65 SER HB2 H 1 3.663 0.006 . . . . . . 65 SER QB . 19954 1 638 . 1 1 65 65 SER HB3 H 1 3.663 0.006 . . . . . . 65 SER QB . 19954 1 639 . 1 1 65 65 SER CA C 13 58.945 0.077 . . . . . . 65 SER CA . 19954 1 640 . 1 1 65 65 SER N N 15 117.771 0.019 . . . . . . 65 SER N . 19954 1 641 . 1 1 66 66 LEU H H 1 7.418 0.019 . . . . . . 66 LEU H . 19954 1 642 . 1 1 66 66 LEU HA H 1 4.280 0.012 . . . . . . 66 LEU HA . 19954 1 643 . 1 1 66 66 LEU HB2 H 1 1.293 0.011 . . . . . . 66 LEU HB2 . 19954 1 644 . 1 1 66 66 LEU HB3 H 1 1.831 0.015 . . . . . . 66 LEU HB3 . 19954 1 645 . 1 1 66 66 LEU HD11 H 1 0.593 0.004 . . . . . . 66 LEU QD1 . 19954 1 646 . 1 1 66 66 LEU HD12 H 1 0.593 0.004 . . . . . . 66 LEU QD1 . 19954 1 647 . 1 1 66 66 LEU HD13 H 1 0.593 0.004 . . . . . . 66 LEU QD1 . 19954 1 648 . 1 1 66 66 LEU CA C 13 54.055 0.009 . . . . . . 66 LEU CA . 19954 1 649 . 1 1 66 66 LEU CB C 13 38.133 0.000 . . . . . . 66 LEU CB . 19954 1 650 . 1 1 66 66 LEU CD1 C 13 25.113 0.041 . . . . . . 66 LEU CD1 . 19954 1 651 . 1 1 66 66 LEU N N 15 124.196 0.040 . . . . . . 66 LEU N . 19954 1 652 . 1 1 67 67 TYR H H 1 8.021 0.023 . . . . . . 67 TYR H . 19954 1 653 . 1 1 67 67 TYR HA H 1 4.558 0.025 . . . . . . 67 TYR HA . 19954 1 654 . 1 1 67 67 TYR HB2 H 1 2.016 0.008 . . . . . . 67 TYR HB2 . 19954 1 655 . 1 1 67 67 TYR HB3 H 1 2.920 0.012 . . . . . . 67 TYR HB3 . 19954 1 656 . 1 1 67 67 TYR HD1 H 1 6.920 0.002 . . . . . . 67 TYR QD . 19954 1 657 . 1 1 67 67 TYR HD2 H 1 6.920 0.002 . . . . . . 67 TYR QD . 19954 1 658 . 1 1 67 67 TYR HE1 H 1 6.628 0.017 . . . . . . 67 TYR QE . 19954 1 659 . 1 1 67 67 TYR HE2 H 1 6.628 0.017 . . . . . . 67 TYR QE . 19954 1 660 . 1 1 67 67 TYR CA C 13 53.439 0.018 . . . . . . 67 TYR CA . 19954 1 661 . 1 1 67 67 TYR CB C 13 33.813 0.051 . . . . . . 67 TYR CB . 19954 1 662 . 1 1 67 67 TYR N N 15 121.494 0.030 . . . . . . 67 TYR N . 19954 1 663 . 1 1 68 68 ILE H H 1 7.827 0.021 . . . . . . 68 ILE H . 19954 1 664 . 1 1 68 68 ILE HA H 1 3.231 0.012 . . . . . . 68 ILE HA . 19954 1 665 . 1 1 68 68 ILE HB H 1 1.782 0.009 . . . . . . 68 ILE HB . 19954 1 666 . 1 1 68 68 ILE HG12 H 1 0.155 0.007 . . . . . . 68 ILE HG12 . 19954 1 667 . 1 1 68 68 ILE HG13 H 1 1.467 0.009 . . . . . . 68 ILE HG13 . 19954 1 668 . 1 1 68 68 ILE HG21 H 1 0.537 0.013 . . . . . . 68 ILE QG2 . 19954 1 669 . 1 1 68 68 ILE HG22 H 1 0.537 0.013 . . . . . . 68 ILE QG2 . 19954 1 670 . 1 1 68 68 ILE HG23 H 1 0.537 0.013 . . . . . . 68 ILE QG2 . 19954 1 671 . 1 1 68 68 ILE HD11 H 1 -0.413 0.006 . . . . . . 68 ILE QD1 . 19954 1 672 . 1 1 68 68 ILE HD12 H 1 -0.413 0.006 . . . . . . 68 ILE QD1 . 19954 1 673 . 1 1 68 68 ILE HD13 H 1 -0.413 0.006 . . . . . . 68 ILE QD1 . 19954 1 674 . 1 1 68 68 ILE CA C 13 64.381 0.093 . . . . . . 68 ILE CA . 19954 1 675 . 1 1 68 68 ILE CB C 13 36.157 0.004 . . . . . . 68 ILE CB . 19954 1 676 . 1 1 68 68 ILE CG1 C 13 27.358 0.161 . . . . . . 68 ILE CG1 . 19954 1 677 . 1 1 68 68 ILE CG2 C 13 16.163 0.110 . . . . . . 68 ILE CG2 . 19954 1 678 . 1 1 68 68 ILE CD1 C 13 10.302 0.049 . . . . . . 68 ILE CD1 . 19954 1 679 . 1 1 68 68 ILE N N 15 121.455 0.118 . . . . . . 68 ILE N . 19954 1 680 . 1 1 69 69 ILE H H 1 6.890 0.024 . . . . . . 69 ILE H . 19954 1 681 . 1 1 69 69 ILE HA H 1 3.352 0.029 . . . . . . 69 ILE HA . 19954 1 682 . 1 1 69 69 ILE HB H 1 2.035 0.007 . . . . . . 69 ILE HB . 19954 1 683 . 1 1 69 69 ILE HG21 H 1 0.712 0.006 . . . . . . 69 ILE QG2 . 19954 1 684 . 1 1 69 69 ILE HG22 H 1 0.712 0.006 . . . . . . 69 ILE QG2 . 19954 1 685 . 1 1 69 69 ILE HG23 H 1 0.712 0.006 . . . . . . 69 ILE QG2 . 19954 1 686 . 1 1 69 69 ILE HD11 H 1 0.687 0.007 . . . . . . 69 ILE QD1 . 19954 1 687 . 1 1 69 69 ILE HD12 H 1 0.687 0.007 . . . . . . 69 ILE QD1 . 19954 1 688 . 1 1 69 69 ILE HD13 H 1 0.687 0.007 . . . . . . 69 ILE QD1 . 19954 1 689 . 1 1 69 69 ILE CA C 13 63.413 0.183 . . . . . . 69 ILE CA . 19954 1 690 . 1 1 69 69 ILE CB C 13 35.873 0.102 . . . . . . 69 ILE CB . 19954 1 691 . 1 1 69 69 ILE CG2 C 13 12.414 0.000 . . . . . . 69 ILE CG2 . 19954 1 692 . 1 1 69 69 ILE CD1 C 13 11.534 0.154 . . . . . . 69 ILE CD1 . 19954 1 693 . 1 1 69 69 ILE N N 15 117.951 0.011 . . . . . . 69 ILE N . 19954 1 694 . 1 1 70 70 ASP H H 1 9.112 0.011 . . . . . . 70 ASP H . 19954 1 695 . 1 1 70 70 ASP HA H 1 4.397 0.011 . . . . . . 70 ASP HA . 19954 1 696 . 1 1 70 70 ASP HB2 H 1 3.265 0.015 . . . . . . 70 ASP HB2 . 19954 1 697 . 1 1 70 70 ASP HB3 H 1 3.337 0.008 . . . . . . 70 ASP HB3 . 19954 1 698 . 1 1 70 70 ASP CA C 13 56.025 0.178 . . . . . . 70 ASP CA . 19954 1 699 . 1 1 70 70 ASP CB C 13 41.601 0.102 . . . . . . 70 ASP CB . 19954 1 700 . 1 1 70 70 ASP N N 15 118.891 0.067 . . . . . . 70 ASP N . 19954 1 701 . 1 1 71 71 SER H H 1 7.934 0.011 . . . . . . 71 SER H . 19954 1 702 . 1 1 71 71 SER HA H 1 3.937 0.000 . . . . . . 71 SER HA . 19954 1 703 . 1 1 71 71 SER HB2 H 1 3.582 0.011 . . . . . . 71 SER QB . 19954 1 704 . 1 1 71 71 SER HB3 H 1 3.582 0.011 . . . . . . 71 SER QB . 19954 1 705 . 1 1 71 71 SER CA C 13 58.746 0.004 . . . . . . 71 SER CA . 19954 1 706 . 1 1 71 71 SER N N 15 110.356 0.023 . . . . . . 71 SER N . 19954 1 707 . 1 1 72 72 ILE H H 1 7.914 0.008 . . . . . . 72 ILE H . 19954 1 708 . 1 1 72 72 ILE HA H 1 3.265 0.010 . . . . . . 72 ILE HA . 19954 1 709 . 1 1 72 72 ILE HB H 1 1.293 0.003 . . . . . . 72 ILE HB . 19954 1 710 . 1 1 72 72 ILE HG12 H 1 0.578 0.009 . . . . . . 72 ILE HG12 . 19954 1 711 . 1 1 72 72 ILE HG13 H 1 1.759 0.012 . . . . . . 72 ILE HG13 . 19954 1 712 . 1 1 72 72 ILE HG21 H 1 0.648 0.013 . . . . . . 72 ILE QG2 . 19954 1 713 . 1 1 72 72 ILE HG22 H 1 0.648 0.013 . . . . . . 72 ILE QG2 . 19954 1 714 . 1 1 72 72 ILE HG23 H 1 0.648 0.013 . . . . . . 72 ILE QG2 . 19954 1 715 . 1 1 72 72 ILE HD11 H 1 -0.030 0.004 . . . . . . 72 ILE QD1 . 19954 1 716 . 1 1 72 72 ILE HD12 H 1 -0.030 0.004 . . . . . . 72 ILE QD1 . 19954 1 717 . 1 1 72 72 ILE HD13 H 1 -0.030 0.004 . . . . . . 72 ILE QD1 . 19954 1 718 . 1 1 72 72 ILE CA C 13 63.632 0.179 . . . . . . 72 ILE CA . 19954 1 719 . 1 1 72 72 ILE CB C 13 35.764 0.053 . . . . . . 72 ILE CB . 19954 1 720 . 1 1 72 72 ILE CG1 C 13 29.292 0.067 . . . . . . 72 ILE CG1 . 19954 1 721 . 1 1 72 72 ILE CG2 C 13 11.291 0.067 . . . . . . 72 ILE CG2 . 19954 1 722 . 1 1 72 72 ILE CD1 C 13 12.823 0.043 . . . . . . 72 ILE CD1 . 19954 1 723 . 1 1 72 72 ILE N N 15 117.560 0.015 . . . . . . 72 ILE N . 19954 1 724 . 1 1 73 73 GLY H H 1 8.856 0.014 . . . . . . 73 GLY H . 19954 1 725 . 1 1 73 73 GLY HA2 H 1 3.149 0.015 . . . . . . 73 GLY HA2 . 19954 1 726 . 1 1 73 73 GLY HA3 H 1 3.372 0.015 . . . . . . 73 GLY HA3 . 19954 1 727 . 1 1 73 73 GLY CA C 13 44.775 0.133 . . . . . . 73 GLY CA . 19954 1 728 . 1 1 73 73 GLY N N 15 107.367 0.041 . . . . . . 73 GLY N . 19954 1 729 . 1 1 74 74 ARG H H 1 8.713 0.016 . . . . . . 74 ARG H . 19954 1 730 . 1 1 74 74 ARG HA H 1 3.940 0.013 . . . . . . 74 ARG HA . 19954 1 731 . 1 1 74 74 ARG HB2 H 1 1.611 0.016 . . . . . . 74 ARG HB2 . 19954 1 732 . 1 1 74 74 ARG HB3 H 1 2.088 0.007 . . . . . . 74 ARG HB3 . 19954 1 733 . 1 1 74 74 ARG HG2 H 1 1.096 0.011 . . . . . . 74 ARG HG2 . 19954 1 734 . 1 1 74 74 ARG HG3 H 1 2.042 0.022 . . . . . . 74 ARG HG3 . 19954 1 735 . 1 1 74 74 ARG HD2 H 1 3.316 0.000 . . . . . . 74 ARG QD . 19954 1 736 . 1 1 74 74 ARG HD3 H 1 3.316 0.000 . . . . . . 74 ARG QD . 19954 1 737 . 1 1 74 74 ARG CA C 13 59.172 0.002 . . . . . . 74 ARG CA . 19954 1 738 . 1 1 74 74 ARG CB C 13 27.672 0.049 . . . . . . 74 ARG CB . 19954 1 739 . 1 1 74 74 ARG CG C 13 30.818 0.140 . . . . . . 74 ARG CG . 19954 1 740 . 1 1 74 74 ARG N N 15 118.102 0.038 . . . . . . 74 ARG N . 19954 1 741 . 1 1 75 75 ALA H H 1 7.683 0.010 . . . . . . 75 ALA H . 19954 1 742 . 1 1 75 75 ALA HA H 1 4.216 0.004 . . . . . . 75 ALA HA . 19954 1 743 . 1 1 75 75 ALA HB1 H 1 1.449 0.009 . . . . . . 75 ALA QB . 19954 1 744 . 1 1 75 75 ALA HB2 H 1 1.449 0.009 . . . . . . 75 ALA QB . 19954 1 745 . 1 1 75 75 ALA HB3 H 1 1.449 0.009 . . . . . . 75 ALA QB . 19954 1 746 . 1 1 75 75 ALA CA C 13 52.862 0.188 . . . . . . 75 ALA CA . 19954 1 747 . 1 1 75 75 ALA CB C 13 15.434 0.095 . . . . . . 75 ALA CB . 19954 1 748 . 1 1 75 75 ALA N N 15 123.786 0.056 . . . . . . 75 ALA N . 19954 1 749 . 1 1 76 76 TYR H H 1 8.665 0.009 . . . . . . 76 TYR H . 19954 1 750 . 1 1 76 76 TYR HA H 1 4.493 0.022 . . . . . . 76 TYR HA . 19954 1 751 . 1 1 76 76 TYR HB2 H 1 2.660 0.004 . . . . . . 76 TYR HB2 . 19954 1 752 . 1 1 76 76 TYR HB3 H 1 3.397 0.012 . . . . . . 76 TYR HB3 . 19954 1 753 . 1 1 76 76 TYR HE1 H 1 6.794 0.027 . . . . . . 76 TYR QE . 19954 1 754 . 1 1 76 76 TYR HE2 H 1 6.794 0.027 . . . . . . 76 TYR QE . 19954 1 755 . 1 1 76 76 TYR CA C 13 55.093 0.003 . . . . . . 76 TYR CA . 19954 1 756 . 1 1 76 76 TYR CB C 13 33.867 0.037 . . . . . . 76 TYR CB . 19954 1 757 . 1 1 76 76 TYR N N 15 119.931 0.080 . . . . . . 76 TYR N . 19954 1 758 . 1 1 77 77 LEU H H 1 8.760 0.015 . . . . . . 77 LEU H . 19954 1 759 . 1 1 77 77 LEU HA H 1 3.810 0.017 . . . . . . 77 LEU HA . 19954 1 760 . 1 1 77 77 LEU HB2 H 1 1.323 0.010 . . . . . . 77 LEU HB2 . 19954 1 761 . 1 1 77 77 LEU HB3 H 1 1.902 0.011 . . . . . . 77 LEU HB3 . 19954 1 762 . 1 1 77 77 LEU HG H 1 1.305 0.000 . . . . . . 77 LEU HG . 19954 1 763 . 1 1 77 77 LEU HD11 H 1 0.658 0.006 . . . . . . 77 LEU QD1 . 19954 1 764 . 1 1 77 77 LEU HD12 H 1 0.658 0.006 . . . . . . 77 LEU QD1 . 19954 1 765 . 1 1 77 77 LEU HD13 H 1 0.658 0.006 . . . . . . 77 LEU QD1 . 19954 1 766 . 1 1 77 77 LEU CA C 13 55.175 0.191 . . . . . . 77 LEU CA . 19954 1 767 . 1 1 77 77 LEU CB C 13 39.874 0.117 . . . . . . 77 LEU CB . 19954 1 768 . 1 1 77 77 LEU CD1 C 13 20.955 0.000 . . . . . . 77 LEU CD1 . 19954 1 769 . 1 1 77 77 LEU N N 15 123.397 0.056 . . . . . . 77 LEU N . 19954 1 770 . 1 1 78 78 ASP H H 1 7.900 0.012 . . . . . . 78 ASP H . 19954 1 771 . 1 1 78 78 ASP HA H 1 4.304 0.013 . . . . . . 78 ASP HA . 19954 1 772 . 1 1 78 78 ASP HB2 H 1 2.630 0.011 . . . . . . 78 ASP HB2 . 19954 1 773 . 1 1 78 78 ASP HB3 H 1 2.767 0.006 . . . . . . 78 ASP HB3 . 19954 1 774 . 1 1 78 78 ASP CA C 13 54.803 0.005 . . . . . . 78 ASP CA . 19954 1 775 . 1 1 78 78 ASP CB C 13 37.823 0.113 . . . . . . 78 ASP CB . 19954 1 776 . 1 1 78 78 ASP N N 15 120.195 0.025 . . . . . . 78 ASP N . 19954 1 777 . 1 1 79 79 GLU H H 1 7.508 0.007 . . . . . . 79 GLU H . 19954 1 778 . 1 1 79 79 GLU HA H 1 4.017 0.003 . . . . . . 79 GLU HA . 19954 1 779 . 1 1 79 79 GLU HB2 H 1 2.191 0.003 . . . . . . 79 GLU HB2 . 19954 1 780 . 1 1 79 79 GLU HB3 H 1 2.255 0.004 . . . . . . 79 GLU HB3 . 19954 1 781 . 1 1 79 79 GLU HG2 H 1 2.235 0.009 . . . . . . 79 GLU QG . 19954 1 782 . 1 1 79 79 GLU HG3 H 1 2.235 0.009 . . . . . . 79 GLU QG . 19954 1 783 . 1 1 79 79 GLU CA C 13 56.474 0.169 . . . . . . 79 GLU CA . 19954 1 784 . 1 1 79 79 GLU CB C 13 27.206 0.067 . . . . . . 79 GLU CB . 19954 1 785 . 1 1 79 79 GLU N N 15 120.434 0.044 . . . . . . 79 GLU N . 19954 1 786 . 1 1 80 80 THR H H 1 7.891 0.008 . . . . . . 80 THR H . 19954 1 787 . 1 1 80 80 THR HA H 1 4.147 0.004 . . . . . . 80 THR HA . 19954 1 788 . 1 1 80 80 THR HB H 1 4.145 0.008 . . . . . . 80 THR HB . 19954 1 789 . 1 1 80 80 THR HG21 H 1 1.207 0.012 . . . . . . 80 THR QG2 . 19954 1 790 . 1 1 80 80 THR HG22 H 1 1.207 0.012 . . . . . . 80 THR QG2 . 19954 1 791 . 1 1 80 80 THR HG23 H 1 1.207 0.012 . . . . . . 80 THR QG2 . 19954 1 792 . 1 1 80 80 THR CA C 13 61.984 0.193 . . . . . . 80 THR CA . 19954 1 793 . 1 1 80 80 THR CB C 13 67.416 0.173 . . . . . . 80 THR CB . 19954 1 794 . 1 1 80 80 THR CG2 C 13 19.245 0.075 . . . . . . 80 THR CG2 . 19954 1 795 . 1 1 80 80 THR N N 15 111.017 0.049 . . . . . . 80 THR N . 19954 1 796 . 1 1 81 81 ARG H H 1 7.475 0.008 . . . . . . 81 ARG H . 19954 1 797 . 1 1 81 81 ARG HA H 1 4.093 0.001 . . . . . . 81 ARG HA . 19954 1 798 . 1 1 81 81 ARG HB2 H 1 1.818 0.000 . . . . . . 81 ARG HB . 19954 1 799 . 1 1 81 81 ARG HB3 H 1 1.818 0.000 . . . . . . 81 ARG HB . 19954 1 800 . 1 1 81 81 ARG HE H 1 7.687 0.000 . . . . . . 81 ARG HE . 19954 1 801 . 1 1 81 81 ARG CA C 13 55.137 0.002 . . . . . . 81 ARG CA . 19954 1 802 . 1 1 81 81 ARG N N 15 120.210 0.033 . . . . . . 81 ARG N . 19954 1 803 . 1 1 81 81 ARG NE N 15 107.901 0.000 . . . . . . 81 ARG NE . 19954 1 804 . 1 1 82 82 SER H H 1 7.739 0.013 . . . . . . 82 SER H . 19954 1 805 . 1 1 82 82 SER HA H 1 4.327 0.004 . . . . . . 82 SER HA . 19954 1 806 . 1 1 82 82 SER HB2 H 1 3.932 0.000 . . . . . . 82 SER QB . 19954 1 807 . 1 1 82 82 SER HB3 H 1 3.932 0.000 . . . . . . 82 SER QB . 19954 1 808 . 1 1 82 82 SER CA C 13 56.193 0.019 . . . . . . 82 SER CA . 19954 1 809 . 1 1 82 82 SER N N 15 113.575 0.018 . . . . . . 82 SER N . 19954 1 810 . 1 1 83 83 ASN H H 1 7.804 0.015 . . . . . . 83 ASN H . 19954 1 811 . 1 1 83 83 ASN HA H 1 4.717 0.014 . . . . . . 83 ASN HA . 19954 1 812 . 1 1 83 83 ASN HB2 H 1 2.643 0.000 . . . . . . 83 ASN HB2 . 19954 1 813 . 1 1 83 83 ASN HB3 H 1 2.815 0.000 . . . . . . 83 ASN HB3 . 19954 1 814 . 1 1 83 83 ASN CA C 13 50.163 0.014 . . . . . . 83 ASN CA . 19954 1 815 . 1 1 83 83 ASN N N 15 119.962 0.038 . . . . . . 83 ASN N . 19954 1 816 . 1 1 84 84 SER H H 1 8.352 0.007 . . . . . . 84 SER H . 19954 1 817 . 1 1 84 84 SER HA H 1 4.291 0.000 . . . . . . 84 SER HA . 19954 1 818 . 1 1 84 84 SER HB2 H 1 3.727 0.000 . . . . . . 84 SER HB2 . 19954 1 819 . 1 1 84 84 SER HB3 H 1 3.873 0.002 . . . . . . 84 SER HB3 . 19954 1 820 . 1 1 84 84 SER CA C 13 56.325 0.020 . . . . . . 84 SER CA . 19954 1 821 . 1 1 84 84 SER N N 15 116.799 0.025 . . . . . . 84 SER N . 19954 1 822 . 1 1 85 85 ASN H H 1 8.362 0.007 . . . . . . 85 ASN H . 19954 1 823 . 1 1 85 85 ASN HA H 1 4.673 0.021 . . . . . . 85 ASN HA . 19954 1 824 . 1 1 85 85 ASN HB2 H 1 2.717 0.003 . . . . . . 85 ASN QB . 19954 1 825 . 1 1 85 85 ASN HB3 H 1 2.717 0.003 . . . . . . 85 ASN QB . 19954 1 826 . 1 1 85 85 ASN CA C 13 50.808 0.168 . . . . . . 85 ASN CA . 19954 1 827 . 1 1 85 85 ASN N N 15 120.087 0.027 . . . . . . 85 ASN N . 19954 1 828 . 1 1 86 86 SER H H 1 8.102 0.009 . . . . . . 86 SER H . 19954 1 829 . 1 1 86 86 SER HA H 1 4.344 0.000 . . . . . . 86 SER HA . 19954 1 830 . 1 1 86 86 SER HB2 H 1 3.715 0.000 . . . . . . 86 SER HB2 . 19954 1 831 . 1 1 86 86 SER HB3 H 1 3.860 0.000 . . . . . . 86 SER HB3 . 19954 1 832 . 1 1 86 86 SER CA C 13 55.853 0.010 . . . . . . 86 SER CA . 19954 1 833 . 1 1 86 86 SER N N 15 116.068 0.018 . . . . . . 86 SER N . 19954 1 834 . 1 1 87 87 SER H H 1 8.269 0.014 . . . . . . 87 SER H . 19954 1 835 . 1 1 87 87 SER HA H 1 4.302 0.000 . . . . . . 87 SER HA . 19954 1 836 . 1 1 87 87 SER HB2 H 1 3.752 0.000 . . . . . . 87 SER HB . 19954 1 837 . 1 1 87 87 SER HB3 H 1 3.752 0.000 . . . . . . 87 SER HB . 19954 1 838 . 1 1 87 87 SER CA C 13 55.608 0.003 . . . . . . 87 SER CA . 19954 1 839 . 1 1 87 87 SER N N 15 117.615 0.075 . . . . . . 87 SER N . 19954 1 840 . 1 1 88 88 SER H H 1 8.377 0.009 . . . . . . 88 SER H . 19954 1 841 . 1 1 88 88 SER CA C 13 53.710 0.015 . . . . . . 88 SER CA . 19954 1 842 . 1 1 88 88 SER N N 15 122.455 0.025 . . . . . . 88 SER N . 19954 1 843 . 1 1 89 89 ASN H H 1 8.141 0.002 . . . . . . 89 ASN H . 19954 1 844 . 1 1 89 89 ASN CA C 13 58.900 0.009 . . . . . . 89 ASN CA . 19954 1 845 . 1 1 89 89 ASN N N 15 115.430 0.020 . . . . . . 89 ASN N . 19954 1 846 . 1 1 90 90 LYS H H 1 7.968 0.001 . . . . . . 90 LYS H . 19954 1 847 . 1 1 90 90 LYS CA C 13 55.381 0.000 . . . . . . 90 LYS CA . 19954 1 848 . 1 1 90 90 LYS N N 15 128.033 0.015 . . . . . . 90 LYS N . 19954 1 849 . 1 1 91 91 PRO HA H 1 3.405 0.005 . . . . . . 91 PRO HA . 19954 1 850 . 1 1 91 91 PRO HB2 H 1 1.600 0.015 . . . . . . 91 PRO HB2 . 19954 1 851 . 1 1 91 91 PRO HB3 H 1 1.804 0.021 . . . . . . 91 PRO HB3 . 19954 1 852 . 1 1 91 91 PRO CA C 13 60.621 0.176 . . . . . . 91 PRO CA . 19954 1 853 . 1 1 92 92 GLY H H 1 10.143 0.050 . . . . . . 92 GLY H . 19954 1 854 . 1 1 92 92 GLY HA2 H 1 4.038 0.003 . . . . . . 92 GLY HA2 . 19954 1 855 . 1 1 92 92 GLY HA3 H 1 4.215 0.016 . . . . . . 92 GLY HA3 . 19954 1 856 . 1 1 92 92 GLY CA C 13 43.343 0.203 . . . . . . 92 GLY CA . 19954 1 857 . 1 1 92 92 GLY N N 15 112.479 0.062 . . . . . . 92 GLY N . 19954 1 858 . 1 1 93 93 THR H H 1 7.193 0.010 . . . . . . 93 THR H . 19954 1 859 . 1 1 93 93 THR HA H 1 4.535 0.009 . . . . . . 93 THR HA . 19954 1 860 . 1 1 93 93 THR HB H 1 4.331 0.009 . . . . . . 93 THR HB . 19954 1 861 . 1 1 93 93 THR HG21 H 1 0.998 0.007 . . . . . . 93 THR QG2 . 19954 1 862 . 1 1 93 93 THR HG22 H 1 0.998 0.007 . . . . . . 93 THR QG2 . 19954 1 863 . 1 1 93 93 THR HG23 H 1 0.998 0.007 . . . . . . 93 THR QG2 . 19954 1 864 . 1 1 93 93 THR CA C 13 56.624 0.119 . . . . . . 93 THR CA . 19954 1 865 . 1 1 93 93 THR CB C 13 70.936 0.050 . . . . . . 93 THR CB . 19954 1 866 . 1 1 93 93 THR CG2 C 13 18.691 0.093 . . . . . . 93 THR CG2 . 19954 1 867 . 1 1 93 93 THR N N 15 106.285 0.048 . . . . . . 93 THR N . 19954 1 868 . 1 1 94 94 CYS H H 1 8.787 0.008 . . . . . . 94 CYS H . 19954 1 869 . 1 1 94 94 CYS HA H 1 3.447 0.011 . . . . . . 94 CYS HA . 19954 1 870 . 1 1 94 94 CYS HB2 H 1 2.443 0.015 . . . . . . 94 CYS HB2 . 19954 1 871 . 1 1 94 94 CYS HB3 H 1 2.567 0.020 . . . . . . 94 CYS HB3 . 19954 1 872 . 1 1 94 94 CYS CA C 13 60.867 0.178 . . . . . . 94 CYS CA . 19954 1 873 . 1 1 94 94 CYS CB C 13 25.246 0.179 . . . . . . 94 CYS CB . 19954 1 874 . 1 1 94 94 CYS N N 15 121.517 0.032 . . . . . . 94 CYS N . 19954 1 875 . 1 1 95 95 ALA H H 1 8.400 0.013 . . . . . . 95 ALA H . 19954 1 876 . 1 1 95 95 ALA HA H 1 3.841 0.008 . . . . . . 95 ALA HA . 19954 1 877 . 1 1 95 95 ALA HB1 H 1 1.274 0.007 . . . . . . 95 ALA QB . 19954 1 878 . 1 1 95 95 ALA HB2 H 1 1.274 0.007 . . . . . . 95 ALA QB . 19954 1 879 . 1 1 95 95 ALA HB3 H 1 1.274 0.007 . . . . . . 95 ALA QB . 19954 1 880 . 1 1 95 95 ALA CA C 13 52.745 0.180 . . . . . . 95 ALA CA . 19954 1 881 . 1 1 95 95 ALA CB C 13 15.726 0.130 . . . . . . 95 ALA CB . 19954 1 882 . 1 1 95 95 ALA N N 15 119.659 0.033 . . . . . . 95 ALA N . 19954 1 883 . 1 1 96 96 HIS H H 1 7.637 0.008 . . . . . . 96 HIS H . 19954 1 884 . 1 1 96 96 HIS HA H 1 4.204 0.007 . . . . . . 96 HIS HA . 19954 1 885 . 1 1 96 96 HIS HB2 H 1 2.859 0.002 . . . . . . 96 HIS HB2 . 19954 1 886 . 1 1 96 96 HIS HB3 H 1 2.932 0.006 . . . . . . 96 HIS HB3 . 19954 1 887 . 1 1 96 96 HIS CA C 13 57.998 0.323 . . . . . . 96 HIS CA . 19954 1 888 . 1 1 96 96 HIS CB C 13 27.084 0.031 . . . . . . 96 HIS CB . 19954 1 889 . 1 1 96 96 HIS N N 15 118.081 0.026 . . . . . . 96 HIS N . 19954 1 890 . 1 1 97 97 ALA H H 1 7.359 0.011 . . . . . . 97 ALA H . 19954 1 891 . 1 1 97 97 ALA HA H 1 3.939 0.011 . . . . . . 97 ALA HA . 19954 1 892 . 1 1 97 97 ALA HB1 H 1 1.669 0.009 . . . . . . 97 ALA QB . 19954 1 893 . 1 1 97 97 ALA HB2 H 1 1.669 0.009 . . . . . . 97 ALA QB . 19954 1 894 . 1 1 97 97 ALA HB3 H 1 1.669 0.009 . . . . . . 97 ALA QB . 19954 1 895 . 1 1 97 97 ALA CA C 13 53.158 0.088 . . . . . . 97 ALA CA . 19954 1 896 . 1 1 97 97 ALA CB C 13 17.664 0.048 . . . . . . 97 ALA CB . 19954 1 897 . 1 1 97 97 ALA N N 15 123.688 0.033 . . . . . . 97 ALA N . 19954 1 898 . 1 1 98 98 ILE H H 1 7.921 0.010 . . . . . . 98 ILE H . 19954 1 899 . 1 1 98 98 ILE HA H 1 3.525 0.015 . . . . . . 98 ILE HA . 19954 1 900 . 1 1 98 98 ILE HB H 1 1.712 0.007 . . . . . . 98 ILE HB . 19954 1 901 . 1 1 98 98 ILE HG12 H 1 0.905 0.023 . . . . . . 98 ILE HG12 . 19954 1 902 . 1 1 98 98 ILE HG13 H 1 1.647 0.015 . . . . . . 98 ILE HG13 . 19954 1 903 . 1 1 98 98 ILE HG21 H 1 0.806 0.005 . . . . . . 98 ILE QG2 . 19954 1 904 . 1 1 98 98 ILE HG22 H 1 0.806 0.005 . . . . . . 98 ILE QG2 . 19954 1 905 . 1 1 98 98 ILE HG23 H 1 0.806 0.005 . . . . . . 98 ILE QG2 . 19954 1 906 . 1 1 98 98 ILE HD11 H 1 0.647 0.006 . . . . . . 98 ILE QD1 . 19954 1 907 . 1 1 98 98 ILE HD12 H 1 0.647 0.006 . . . . . . 98 ILE QD1 . 19954 1 908 . 1 1 98 98 ILE HD13 H 1 0.647 0.006 . . . . . . 98 ILE QD1 . 19954 1 909 . 1 1 98 98 ILE CA C 13 62.983 0.122 . . . . . . 98 ILE CA . 19954 1 910 . 1 1 98 98 ILE CB C 13 35.667 0.074 . . . . . . 98 ILE CB . 19954 1 911 . 1 1 98 98 ILE CG1 C 13 26.565 0.090 . . . . . . 98 ILE CG1 . 19954 1 912 . 1 1 98 98 ILE CG2 C 13 15.397 0.166 . . . . . . 98 ILE CG2 . 19954 1 913 . 1 1 98 98 ILE CD1 C 13 10.855 0.096 . . . . . . 98 ILE CD1 . 19954 1 914 . 1 1 98 98 ILE N N 15 115.322 0.018 . . . . . . 98 ILE N . 19954 1 915 . 1 1 99 99 ASN H H 1 7.988 0.007 . . . . . . 99 ASN H . 19954 1 916 . 1 1 99 99 ASN HA H 1 4.380 0.007 . . . . . . 99 ASN HA . 19954 1 917 . 1 1 99 99 ASN HB2 H 1 2.698 0.004 . . . . . . 99 ASN HB2 . 19954 1 918 . 1 1 99 99 ASN HB3 H 1 2.811 0.006 . . . . . . 99 ASN HB3 . 19954 1 919 . 1 1 99 99 ASN HD21 H 1 6.871 0.006 . . . . . . 99 ASN HD21 . 19954 1 920 . 1 1 99 99 ASN HD22 H 1 7.633 0.003 . . . . . . 99 ASN HD22 . 19954 1 921 . 1 1 99 99 ASN CA C 13 54.139 0.040 . . . . . . 99 ASN CA . 19954 1 922 . 1 1 99 99 ASN CB C 13 36.245 0.022 . . . . . . 99 ASN CB . 19954 1 923 . 1 1 99 99 ASN N N 15 120.705 0.029 . . . . . . 99 ASN N . 19954 1 924 . 1 1 99 99 ASN ND2 N 15 112.929 0.024 . . . . . . 99 ASN ND2 . 19954 1 925 . 1 1 100 100 THR H H 1 8.308 0.007 . . . . . . 100 THR H . 19954 1 926 . 1 1 100 100 THR HA H 1 3.631 0.005 . . . . . . 100 THR HA . 19954 1 927 . 1 1 100 100 THR HB H 1 4.127 0.008 . . . . . . 100 THR HB . 19954 1 928 . 1 1 100 100 THR HG21 H 1 0.923 0.004 . . . . . . 100 THR QG2 . 19954 1 929 . 1 1 100 100 THR HG22 H 1 0.923 0.004 . . . . . . 100 THR QG2 . 19954 1 930 . 1 1 100 100 THR HG23 H 1 0.923 0.004 . . . . . . 100 THR QG2 . 19954 1 931 . 1 1 100 100 THR CA C 13 63.899 0.118 . . . . . . 100 THR CA . 19954 1 932 . 1 1 100 100 THR CB C 13 66.031 0.048 . . . . . . 100 THR CB . 19954 1 933 . 1 1 100 100 THR CG2 C 13 19.272 0.087 . . . . . . 100 THR CG2 . 19954 1 934 . 1 1 100 100 THR N N 15 117.802 0.019 . . . . . . 100 THR N . 19954 1 935 . 1 1 101 101 LEU H H 1 7.813 0.018 . . . . . . 101 LEU H . 19954 1 936 . 1 1 101 101 LEU HA H 1 3.721 0.017 . . . . . . 101 LEU HA . 19954 1 937 . 1 1 101 101 LEU HB2 H 1 1.151 0.009 . . . . . . 101 LEU HB2 . 19954 1 938 . 1 1 101 101 LEU HB3 H 1 2.114 0.018 . . . . . . 101 LEU HB3 . 19954 1 939 . 1 1 101 101 LEU HG H 1 1.803 0.007 . . . . . . 101 LEU HG . 19954 1 940 . 1 1 101 101 LEU HD11 H 1 0.700 0.011 . . . . . . 101 LEU QD1 . 19954 1 941 . 1 1 101 101 LEU HD12 H 1 0.700 0.011 . . . . . . 101 LEU QD1 . 19954 1 942 . 1 1 101 101 LEU HD13 H 1 0.700 0.011 . . . . . . 101 LEU QD1 . 19954 1 943 . 1 1 101 101 LEU CA C 13 54.425 0.126 . . . . . . 101 LEU CA . 19954 1 944 . 1 1 101 101 LEU CB C 13 41.188 0.136 . . . . . . 101 LEU CB . 19954 1 945 . 1 1 101 101 LEU CG C 13 23.969 0.000 . . . . . . 101 LEU CG . 19954 1 946 . 1 1 101 101 LEU CD1 C 13 21.955 0.084 . . . . . . 101 LEU CD1 . 19954 1 947 . 1 1 102 102 GLY H H 1 8.591 0.010 . . . . . . 102 GLY H . 19954 1 948 . 1 1 102 102 GLY HA2 H 1 3.366 0.005 . . . . . . 102 GLY HA2 . 19954 1 949 . 1 1 102 102 GLY HA3 H 1 4.144 0.013 . . . . . . 102 GLY HA3 . 19954 1 950 . 1 1 102 102 GLY CA C 13 45.327 0.160 . . . . . . 102 GLY CA . 19954 1 951 . 1 1 102 102 GLY N N 15 105.787 0.018 . . . . . . 102 GLY N . 19954 1 952 . 1 1 103 103 GLU H H 1 7.473 0.006 . . . . . . 103 GLU H . 19954 1 953 . 1 1 103 103 GLU HA H 1 4.074 0.010 . . . . . . 103 GLU HA . 19954 1 954 . 1 1 103 103 GLU HB2 H 1 2.064 0.012 . . . . . . 103 GLU HB2 . 19954 1 955 . 1 1 103 103 GLU HB3 H 1 2.020 0.007 . . . . . . 103 GLU HB3 . 19954 1 956 . 1 1 103 103 GLU HG2 H 1 2.341 0.010 . . . . . . 103 GLU HG2 . 19954 1 957 . 1 1 103 103 GLU HG3 H 1 2.367 0.005 . . . . . . 103 GLU HG3 . 19954 1 958 . 1 1 103 103 GLU CA C 13 55.446 0.299 . . . . . . 103 GLU CA . 19954 1 959 . 1 1 103 103 GLU CB C 13 27.379 0.139 . . . . . . 103 GLU CB . 19954 1 960 . 1 1 103 103 GLU CG C 13 34.184 0.040 . . . . . . 103 GLU CG . 19954 1 961 . 1 1 103 103 GLU N N 15 116.446 0.023 . . . . . . 103 GLU N . 19954 1 962 . 1 1 104 104 VAL H H 1 7.029 0.006 . . . . . . 104 VAL H . 19954 1 963 . 1 1 104 104 VAL HA H 1 4.758 0.015 . . . . . . 104 VAL HA . 19954 1 964 . 1 1 104 104 VAL HB H 1 2.245 0.007 . . . . . . 104 VAL HB . 19954 1 965 . 1 1 104 104 VAL HG11 H 1 0.778 0.012 . . . . . . 104 VAL QG1 . 19954 1 966 . 1 1 104 104 VAL HG12 H 1 0.778 0.012 . . . . . . 104 VAL QG1 . 19954 1 967 . 1 1 104 104 VAL HG13 H 1 0.778 0.012 . . . . . . 104 VAL QG1 . 19954 1 968 . 1 1 104 104 VAL HG21 H 1 0.801 0.005 . . . . . . 104 VAL QG2 . 19954 1 969 . 1 1 104 104 VAL HG22 H 1 0.801 0.005 . . . . . . 104 VAL QG2 . 19954 1 970 . 1 1 104 104 VAL HG23 H 1 0.801 0.005 . . . . . . 104 VAL QG2 . 19954 1 971 . 1 1 104 104 VAL CA C 13 57.855 0.102 . . . . . . 104 VAL CA . 19954 1 972 . 1 1 104 104 VAL CB C 13 30.878 0.012 . . . . . . 104 VAL CB . 19954 1 973 . 1 1 104 104 VAL CG1 C 13 17.717 0.087 . . . . . . 104 VAL CG1 . 19954 1 974 . 1 1 104 104 VAL CG2 C 13 18.466 0.055 . . . . . . 104 VAL CG2 . 19954 1 975 . 1 1 104 104 VAL N N 15 108.360 0.039 . . . . . . 104 VAL N . 19954 1 976 . 1 1 105 105 ILE H H 1 7.206 0.015 . . . . . . 105 ILE H . 19954 1 977 . 1 1 105 105 ILE HA H 1 3.747 0.016 . . . . . . 105 ILE HA . 19954 1 978 . 1 1 105 105 ILE HB H 1 1.280 0.006 . . . . . . 105 ILE HB . 19954 1 979 . 1 1 105 105 ILE HG12 H 1 0.306 0.002 . . . . . . 105 ILE HG12 . 19954 1 980 . 1 1 105 105 ILE HG13 H 1 1.960 0.000 . . . . . . 105 ILE HG13 . 19954 1 981 . 1 1 105 105 ILE HG21 H 1 0.099 0.000 . . . . . . 105 ILE QG2 . 19954 1 982 . 1 1 105 105 ILE HG22 H 1 0.099 0.000 . . . . . . 105 ILE QG2 . 19954 1 983 . 1 1 105 105 ILE HG23 H 1 0.099 0.000 . . . . . . 105 ILE QG2 . 19954 1 984 . 1 1 105 105 ILE HD11 H 1 0.478 0.004 . . . . . . 105 ILE QD1 . 19954 1 985 . 1 1 105 105 ILE HD12 H 1 0.478 0.004 . . . . . . 105 ILE QD1 . 19954 1 986 . 1 1 105 105 ILE HD13 H 1 0.478 0.004 . . . . . . 105 ILE QD1 . 19954 1 987 . 1 1 105 105 ILE CA C 13 58.400 0.160 . . . . . . 105 ILE CA . 19954 1 988 . 1 1 105 105 ILE CB C 13 35.416 0.089 . . . . . . 105 ILE CB . 19954 1 989 . 1 1 105 105 ILE CG1 C 13 27.987 0.064 . . . . . . 105 ILE CG1 . 19954 1 990 . 1 1 105 105 ILE CG2 C 13 20.047 0.000 . . . . . . 105 ILE CG2 . 19954 1 991 . 1 1 105 105 ILE CD1 C 13 11.599 0.016 . . . . . . 105 ILE CD1 . 19954 1 992 . 1 1 105 105 ILE N N 15 123.811 0.030 . . . . . . 105 ILE N . 19954 1 993 . 1 1 106 106 GLN H H 1 8.558 0.012 . . . . . . 106 GLN H . 19954 1 994 . 1 1 106 106 GLN HA H 1 3.656 0.015 . . . . . . 106 GLN HA . 19954 1 995 . 1 1 106 106 GLN HB2 H 1 1.689 0.016 . . . . . . 106 GLN HB2 . 19954 1 996 . 1 1 106 106 GLN HB3 H 1 1.878 0.005 . . . . . . 106 GLN HB3 . 19954 1 997 . 1 1 106 106 GLN HG2 H 1 1.861 0.013 . . . . . . 106 GLN HG2 . 19954 1 998 . 1 1 106 106 GLN HG3 H 1 2.124 0.013 . . . . . . 106 GLN HG3 . 19954 1 999 . 1 1 106 106 GLN HE21 H 1 6.371 0.013 . . . . . . 106 GLN HE21 . 19954 1 1000 . 1 1 106 106 GLN HE22 H 1 6.870 0.000 . . . . . . 106 GLN HE22 . 19954 1 1001 . 1 1 106 106 GLN CA C 13 58.333 0.153 . . . . . . 106 GLN CA . 19954 1 1002 . 1 1 106 106 GLN CB C 13 26.892 0.000 . . . . . . 106 GLN CB . 19954 1 1003 . 1 1 106 106 GLN CG C 13 33.873 0.162 . . . . . . 106 GLN CG . 19954 1 1004 . 1 1 106 106 GLN N N 15 121.096 0.033 . . . . . . 106 GLN N . 19954 1 1005 . 1 1 106 106 GLN NE2 N 15 110.124 0.063 . . . . . . 106 GLN NE2 . 19954 1 1006 . 1 1 107 107 GLU H H 1 7.771 0.011 . . . . . . 107 GLU H . 19954 1 1007 . 1 1 107 107 GLU HA H 1 3.836 0.005 . . . . . . 107 GLU HA . 19954 1 1008 . 1 1 107 107 GLU HB2 H 1 1.926 0.007 . . . . . . 107 GLU HB2 . 19954 1 1009 . 1 1 107 107 GLU HB3 H 1 2.083 0.013 . . . . . . 107 GLU HB3 . 19954 1 1010 . 1 1 107 107 GLU HG2 H 1 1.927 0.005 . . . . . . 107 GLU HG2 . 19954 1 1011 . 1 1 107 107 GLU HG3 H 1 2.213 0.006 . . . . . . 107 GLU HG3 . 19954 1 1012 . 1 1 107 107 GLU CA C 13 56.588 0.167 . . . . . . 107 GLU CA . 19954 1 1013 . 1 1 107 107 GLU CB C 13 26.534 0.072 . . . . . . 107 GLU CB . 19954 1 1014 . 1 1 107 107 GLU CG C 13 32.606 0.127 . . . . . . 107 GLU CG . 19954 1 1015 . 1 1 107 107 GLU N N 15 122.741 0.048 . . . . . . 107 GLU N . 19954 1 1016 . 1 1 108 108 LEU H H 1 8.014 0.013 . . . . . . 108 LEU H . 19954 1 1017 . 1 1 108 108 LEU HA H 1 3.979 0.008 . . . . . . 108 LEU HA . 19954 1 1018 . 1 1 108 108 LEU HB2 H 1 1.193 0.006 . . . . . . 108 LEU HB2 . 19954 1 1019 . 1 1 108 108 LEU HB3 H 1 1.617 0.013 . . . . . . 108 LEU HB3 . 19954 1 1020 . 1 1 108 108 LEU HG H 1 1.875 0.002 . . . . . . 108 LEU HG . 19954 1 1021 . 1 1 108 108 LEU HD11 H 1 0.652 0.007 . . . . . . 108 LEU QD1 . 19954 1 1022 . 1 1 108 108 LEU HD12 H 1 0.652 0.007 . . . . . . 108 LEU QD1 . 19954 1 1023 . 1 1 108 108 LEU HD13 H 1 0.652 0.007 . . . . . . 108 LEU QD1 . 19954 1 1024 . 1 1 108 108 LEU HD21 H 1 0.803 0.000 . . . . . . 108 LEU QD2 . 19954 1 1025 . 1 1 108 108 LEU HD22 H 1 0.803 0.000 . . . . . . 108 LEU QD2 . 19954 1 1026 . 1 1 108 108 LEU HD23 H 1 0.803 0.000 . . . . . . 108 LEU QD2 . 19954 1 1027 . 1 1 108 108 LEU CA C 13 54.794 0.126 . . . . . . 108 LEU CA . 19954 1 1028 . 1 1 108 108 LEU CB C 13 38.497 0.141 . . . . . . 108 LEU CB . 19954 1 1029 . 1 1 108 108 LEU CD1 C 13 18.694 0.084 . . . . . . 108 LEU CD1 . 19954 1 1030 . 1 1 108 108 LEU N N 15 116.584 0.036 . . . . . . 108 LEU N . 19954 1 1031 . 1 1 109 109 LEU H H 1 8.809 0.018 . . . . . . 109 LEU H . 19954 1 1032 . 1 1 109 109 LEU HA H 1 3.840 0.007 . . . . . . 109 LEU HA . 19954 1 1033 . 1 1 109 109 LEU HB2 H 1 1.107 0.013 . . . . . . 109 LEU HB2 . 19954 1 1034 . 1 1 109 109 LEU HB3 H 1 2.096 0.013 . . . . . . 109 LEU HB3 . 19954 1 1035 . 1 1 109 109 LEU HG H 1 0.594 0.003 . . . . . . 109 LEU HG . 19954 1 1036 . 1 1 109 109 LEU HD11 H 1 1.293 0.012 . . . . . . 109 LEU QD1 . 19954 1 1037 . 1 1 109 109 LEU HD12 H 1 1.293 0.012 . . . . . . 109 LEU QD1 . 19954 1 1038 . 1 1 109 109 LEU HD13 H 1 1.293 0.012 . . . . . . 109 LEU QD1 . 19954 1 1039 . 1 1 109 109 LEU HD21 H 1 0.847 0.006 . . . . . . 109 LEU QD2 . 19954 1 1040 . 1 1 109 109 LEU HD22 H 1 0.847 0.006 . . . . . . 109 LEU QD2 . 19954 1 1041 . 1 1 109 109 LEU HD23 H 1 0.847 0.006 . . . . . . 109 LEU QD2 . 19954 1 1042 . 1 1 109 109 LEU CA C 13 55.706 0.230 . . . . . . 109 LEU CA . 19954 1 1043 . 1 1 109 109 LEU CB C 13 41.322 0.111 . . . . . . 109 LEU CB . 19954 1 1044 . 1 1 109 109 LEU CG C 13 25.066 0.056 . . . . . . 109 LEU CG . 19954 1 1045 . 1 1 109 109 LEU CD1 C 13 17.693 0.180 . . . . . . 109 LEU CD1 . 19954 1 1046 . 1 1 109 109 LEU CD2 C 13 22.243 0.100 . . . . . . 109 LEU CD2 . 19954 1 1047 . 1 1 109 109 LEU N N 15 118.725 0.092 . . . . . . 109 LEU N . 19954 1 1048 . 1 1 110 110 SER H H 1 8.172 0.015 . . . . . . 110 SER H . 19954 1 1049 . 1 1 110 110 SER HA H 1 3.847 0.010 . . . . . . 110 SER HA . 19954 1 1050 . 1 1 110 110 SER HB2 H 1 3.765 0.006 . . . . . . 110 SER QB . 19954 1 1051 . 1 1 110 110 SER HB3 H 1 3.765 0.006 . . . . . . 110 SER QB . 19954 1 1052 . 1 1 110 110 SER CA C 13 60.127 0.050 . . . . . . 110 SER CA . 19954 1 1053 . 1 1 110 110 SER CB C 13 60.300 0.044 . . . . . . 110 SER CB . 19954 1 1054 . 1 1 110 110 SER N N 15 114.085 0.051 . . . . . . 110 SER N . 19954 1 1055 . 1 1 111 111 ASP H H 1 7.629 0.020 . . . . . . 111 ASP H . 19954 1 1056 . 1 1 111 111 ASP HA H 1 4.354 0.015 . . . . . . 111 ASP HA . 19954 1 1057 . 1 1 111 111 ASP HB2 H 1 2.420 0.009 . . . . . . 111 ASP HB2 . 19954 1 1058 . 1 1 111 111 ASP HB3 H 1 2.624 0.015 . . . . . . 111 ASP HB3 . 19954 1 1059 . 1 1 111 111 ASP CA C 13 54.767 0.011 . . . . . . 111 ASP CA . 19954 1 1060 . 1 1 111 111 ASP CB C 13 39.744 0.142 . . . . . . 111 ASP CB . 19954 1 1061 . 1 1 111 111 ASP N N 15 120.466 0.224 . . . . . . 111 ASP N . 19954 1 1062 . 1 1 112 112 ALA H H 1 7.659 0.013 . . . . . . 112 ALA H . 19954 1 1063 . 1 1 112 112 ALA HA H 1 3.591 0.017 . . . . . . 112 ALA HA . 19954 1 1064 . 1 1 112 112 ALA HB1 H 1 1.296 0.007 . . . . . . 112 ALA QB . 19954 1 1065 . 1 1 112 112 ALA HB2 H 1 1.296 0.007 . . . . . . 112 ALA QB . 19954 1 1066 . 1 1 112 112 ALA HB3 H 1 1.296 0.007 . . . . . . 112 ALA QB . 19954 1 1067 . 1 1 112 112 ALA CA C 13 52.735 0.115 . . . . . . 112 ALA CA . 19954 1 1068 . 1 1 112 112 ALA CB C 13 17.647 0.163 . . . . . . 112 ALA CB . 19954 1 1069 . 1 1 112 112 ALA N N 15 117.326 0.193 . . . . . . 112 ALA N . 19954 1 1070 . 1 1 113 113 ILE H H 1 8.679 0.016 . . . . . . 113 ILE H . 19954 1 1071 . 1 1 113 113 ILE HA H 1 3.226 0.017 . . . . . . 113 ILE HA . 19954 1 1072 . 1 1 113 113 ILE HB H 1 1.650 0.010 . . . . . . 113 ILE HB . 19954 1 1073 . 1 1 113 113 ILE HG12 H 1 0.675 0.009 . . . . . . 113 ILE HG12 . 19954 1 1074 . 1 1 113 113 ILE HG13 H 1 1.913 0.021 . . . . . . 113 ILE HG13 . 19954 1 1075 . 1 1 113 113 ILE HD11 H 1 0.548 0.007 . . . . . . 113 ILE QD1 . 19954 1 1076 . 1 1 113 113 ILE HD12 H 1 0.548 0.007 . . . . . . 113 ILE QD1 . 19954 1 1077 . 1 1 113 113 ILE HD13 H 1 0.548 0.007 . . . . . . 113 ILE QD1 . 19954 1 1078 . 1 1 113 113 ILE CA C 13 63.680 0.213 . . . . . . 113 ILE CA . 19954 1 1079 . 1 1 113 113 ILE CB C 13 36.160 0.071 . . . . . . 113 ILE CB . 19954 1 1080 . 1 1 113 113 ILE CG1 C 13 29.418 0.041 . . . . . . 113 ILE CG1 . 19954 1 1081 . 1 1 113 113 ILE CD1 C 13 13.619 0.089 . . . . . . 113 ILE CD1 . 19954 1 1082 . 1 1 113 113 ILE N N 15 119.010 0.030 . . . . . . 113 ILE N . 19954 1 1083 . 1 1 114 114 ALA H H 1 7.717 0.008 . . . . . . 114 ALA H . 19954 1 1084 . 1 1 114 114 ALA HA H 1 3.905 0.011 . . . . . . 114 ALA HA . 19954 1 1085 . 1 1 114 114 ALA HB1 H 1 1.398 0.009 . . . . . . 114 ALA QB . 19954 1 1086 . 1 1 114 114 ALA HB2 H 1 1.398 0.009 . . . . . . 114 ALA QB . 19954 1 1087 . 1 1 114 114 ALA HB3 H 1 1.398 0.009 . . . . . . 114 ALA QB . 19954 1 1088 . 1 1 114 114 ALA CA C 13 52.524 0.110 . . . . . . 114 ALA CA . 19954 1 1089 . 1 1 114 114 ALA CB C 13 16.131 0.050 . . . . . . 114 ALA CB . 19954 1 1090 . 1 1 114 114 ALA N N 15 120.054 0.025 . . . . . . 114 ALA N . 19954 1 1091 . 1 1 115 115 LYS H H 1 7.251 0.012 . . . . . . 115 LYS H . 19954 1 1092 . 1 1 115 115 LYS HA H 1 4.083 0.005 . . . . . . 115 LYS HA . 19954 1 1093 . 1 1 115 115 LYS HB2 H 1 1.381 0.019 . . . . . . 115 LYS HB2 . 19954 1 1094 . 1 1 115 115 LYS HB3 H 1 1.839 0.012 . . . . . . 115 LYS HB3 . 19954 1 1095 . 1 1 115 115 LYS HE2 H 1 2.851 0.001 . . . . . . 115 LYS QE . 19954 1 1096 . 1 1 115 115 LYS HE3 H 1 2.851 0.001 . . . . . . 115 LYS QE . 19954 1 1097 . 1 1 115 115 LYS CA C 13 53.965 0.127 . . . . . . 115 LYS CA . 19954 1 1098 . 1 1 115 115 LYS CB C 13 31.636 0.097 . . . . . . 115 LYS CB . 19954 1 1099 . 1 1 115 115 LYS N N 15 113.895 0.055 . . . . . . 115 LYS N . 19954 1 1100 . 1 1 116 116 SER H H 1 7.132 0.011 . . . . . . 116 SER H . 19954 1 1101 . 1 1 116 116 SER HA H 1 4.510 0.008 . . . . . . 116 SER HA . 19954 1 1102 . 1 1 116 116 SER HB2 H 1 3.798 0.011 . . . . . . 116 SER HB2 . 19954 1 1103 . 1 1 116 116 SER HB3 H 1 4.036 0.008 . . . . . . 116 SER HB3 . 19954 1 1104 . 1 1 116 116 SER CA C 13 57.848 0.115 . . . . . . 116 SER CA . 19954 1 1105 . 1 1 116 116 SER CB C 13 63.380 0.168 . . . . . . 116 SER CB . 19954 1 1106 . 1 1 116 116 SER N N 15 115.838 0.033 . . . . . . 116 SER N . 19954 1 1107 . 1 1 117 117 ASN H H 1 8.450 0.013 . . . . . . 117 ASN H . 19954 1 1108 . 1 1 117 117 ASN HA H 1 4.523 0.013 . . . . . . 117 ASN HA . 19954 1 1109 . 1 1 117 117 ASN HB2 H 1 2.764 0.008 . . . . . . 117 ASN HB2 . 19954 1 1110 . 1 1 117 117 ASN HB3 H 1 3.157 0.016 . . . . . . 117 ASN HB3 . 19954 1 1111 . 1 1 117 117 ASN HD21 H 1 6.236 0.005 . . . . . . 117 ASN HD21 . 19954 1 1112 . 1 1 117 117 ASN HD22 H 1 7.217 0.004 . . . . . . 117 ASN HD22 . 19954 1 1113 . 1 1 117 117 ASN CA C 13 49.342 0.185 . . . . . . 117 ASN CA . 19954 1 1114 . 1 1 117 117 ASN CB C 13 35.282 0.087 . . . . . . 117 ASN CB . 19954 1 1115 . 1 1 117 117 ASN N N 15 119.723 0.024 . . . . . . 117 ASN N . 19954 1 1116 . 1 1 117 117 ASN ND2 N 15 109.862 0.142 . . . . . . 117 ASN ND2 . 19954 1 1117 . 1 1 118 118 GLN H H 1 8.424 0.009 . . . . . . 118 GLN H . 19954 1 1118 . 1 1 118 118 GLN HA H 1 3.776 0.007 . . . . . . 118 GLN HA . 19954 1 1119 . 1 1 118 118 GLN HB2 H 1 2.019 0.010 . . . . . . 118 GLN QB . 19954 1 1120 . 1 1 118 118 GLN HB3 H 1 2.019 0.010 . . . . . . 118 GLN QB . 19954 1 1121 . 1 1 118 118 GLN HG2 H 1 2.366 0.000 . . . . . . 118 GLN QG . 19954 1 1122 . 1 1 118 118 GLN HG3 H 1 2.366 0.000 . . . . . . 118 GLN QG . 19954 1 1123 . 1 1 118 118 GLN CA C 13 57.184 0.005 . . . . . . 118 GLN CA . 19954 1 1124 . 1 1 118 118 GLN CB C 13 31.536 0.029 . . . . . . 118 GLN CB . 19954 1 1125 . 1 1 118 118 GLN N N 15 117.542 0.068 . . . . . . 118 GLN N . 19954 1 1126 . 1 1 119 119 ASP H H 1 7.970 0.010 . . . . . . 119 ASP H . 19954 1 1127 . 1 1 119 119 ASP HA H 1 4.294 0.006 . . . . . . 119 ASP HA . 19954 1 1128 . 1 1 119 119 ASP HB2 H 1 2.607 0.008 . . . . . . 119 ASP QB . 19954 1 1129 . 1 1 119 119 ASP HB3 H 1 2.607 0.008 . . . . . . 119 ASP QB . 19954 1 1130 . 1 1 119 119 ASP CA C 13 54.593 0.006 . . . . . . 119 ASP CA . 19954 1 1131 . 1 1 119 119 ASP CB C 13 38.903 0.105 . . . . . . 119 ASP CB . 19954 1 1132 . 1 1 119 119 ASP N N 15 119.300 0.031 . . . . . . 119 ASP N . 19954 1 1133 . 1 1 120 120 HIS H H 1 8.710 0.010 . . . . . . 120 HIS H . 19954 1 1134 . 1 1 120 120 HIS HA H 1 4.334 0.007 . . . . . . 120 HIS HA . 19954 1 1135 . 1 1 120 120 HIS HB2 H 1 2.802 0.008 . . . . . . 120 HIS HB2 . 19954 1 1136 . 1 1 120 120 HIS HB3 H 1 3.260 0.019 . . . . . . 120 HIS HB3 . 19954 1 1137 . 1 1 120 120 HIS HD2 H 1 6.853 0.015 . . . . . . 120 HIS HD2 . 19954 1 1138 . 1 1 120 120 HIS CA C 13 55.758 0.157 . . . . . . 120 HIS CA . 19954 1 1139 . 1 1 120 120 HIS CB C 13 27.728 0.070 . . . . . . 120 HIS CB . 19954 1 1140 . 1 1 120 120 HIS N N 15 118.873 0.045 . . . . . . 120 HIS N . 19954 1 1141 . 1 1 121 121 LYS H H 1 8.996 0.014 . . . . . . 121 LYS H . 19954 1 1142 . 1 1 121 121 LYS HA H 1 3.768 0.009 . . . . . . 121 LYS HA . 19954 1 1143 . 1 1 121 121 LYS HB2 H 1 1.850 0.014 . . . . . . 121 LYS HB2 . 19954 1 1144 . 1 1 121 121 LYS HB3 H 1 2.065 0.009 . . . . . . 121 LYS HB3 . 19954 1 1145 . 1 1 121 121 LYS HG2 H 1 1.372 0.010 . . . . . . 121 LYS HG2 . 19954 1 1146 . 1 1 121 121 LYS HG3 H 1 1.586 0.009 . . . . . . 121 LYS HG3 . 19954 1 1147 . 1 1 121 121 LYS HD2 H 1 1.499 0.016 . . . . . . 121 LYS HD2 . 19954 1 1148 . 1 1 121 121 LYS HD3 H 1 1.635 0.009 . . . . . . 121 LYS HD3 . 19954 1 1149 . 1 1 121 121 LYS CA C 13 59.679 0.191 . . . . . . 121 LYS CA . 19954 1 1150 . 1 1 121 121 LYS CB C 13 30.924 0.065 . . . . . . 121 LYS CB . 19954 1 1151 . 1 1 121 121 LYS CG C 13 24.566 0.221 . . . . . . 121 LYS CG . 19954 1 1152 . 1 1 121 121 LYS CD C 13 27.123 0.095 . . . . . . 121 LYS CD . 19954 1 1153 . 1 1 121 121 LYS N N 15 120.748 0.036 . . . . . . 121 LYS N . 19954 1 1154 . 1 1 122 122 GLU H H 1 7.616 0.009 . . . . . . 122 GLU H . 19954 1 1155 . 1 1 122 122 GLU HA H 1 4.062 0.009 . . . . . . 122 GLU HA . 19954 1 1156 . 1 1 122 122 GLU HB2 H 1 2.020 0.005 . . . . . . 122 GLU HB2 . 19954 1 1157 . 1 1 122 122 GLU HB3 H 1 2.123 0.005 . . . . . . 122 GLU HB3 . 19954 1 1158 . 1 1 122 122 GLU HG2 H 1 2.161 0.004 . . . . . . 122 GLU HG2 . 19954 1 1159 . 1 1 122 122 GLU HG3 H 1 2.296 0.011 . . . . . . 122 GLU HG3 . 19954 1 1160 . 1 1 122 122 GLU CA C 13 56.105 0.181 . . . . . . 122 GLU CA . 19954 1 1161 . 1 1 122 122 GLU CB C 13 26.640 0.060 . . . . . . 122 GLU CB . 19954 1 1162 . 1 1 122 122 GLU CG C 13 33.260 0.088 . . . . . . 122 GLU CG . 19954 1 1163 . 1 1 122 122 GLU N N 15 117.889 0.013 . . . . . . 122 GLU N . 19954 1 1164 . 1 1 123 123 LYS H H 1 7.548 0.011 . . . . . . 123 LYS H . 19954 1 1165 . 1 1 123 123 LYS HA H 1 3.959 0.016 . . . . . . 123 LYS HA . 19954 1 1166 . 1 1 123 123 LYS HB2 H 1 1.891 0.014 . . . . . . 123 LYS QB . 19954 1 1167 . 1 1 123 123 LYS HB3 H 1 1.891 0.014 . . . . . . 123 LYS QB . 19954 1 1168 . 1 1 123 123 LYS HG2 H 1 1.613 0.004 . . . . . . 123 LYS QG . 19954 1 1169 . 1 1 123 123 LYS HG3 H 1 1.613 0.004 . . . . . . 123 LYS QG . 19954 1 1170 . 1 1 123 123 LYS HE2 H 1 3.059 0.000 . . . . . . 123 LYS QE . 19954 1 1171 . 1 1 123 123 LYS HE3 H 1 3.059 0.000 . . . . . . 123 LYS QE . 19954 1 1172 . 1 1 123 123 LYS CA C 13 56.602 0.022 . . . . . . 123 LYS CA . 19954 1 1173 . 1 1 123 123 LYS CB C 13 30.223 0.000 . . . . . . 123 LYS CB . 19954 1 1174 . 1 1 123 123 LYS CG C 13 24.022 0.000 . . . . . . 123 LYS CG . 19954 1 1175 . 1 1 123 123 LYS N N 15 119.116 0.029 . . . . . . 123 LYS N . 19954 1 1176 . 1 1 124 124 ILE H H 1 8.363 0.016 . . . . . . 124 ILE H . 19954 1 1177 . 1 1 124 124 ILE HA H 1 3.225 0.013 . . . . . . 124 ILE HA . 19954 1 1178 . 1 1 124 124 ILE HB H 1 1.920 0.012 . . . . . . 124 ILE HB . 19954 1 1179 . 1 1 124 124 ILE HG12 H 1 0.106 0.008 . . . . . . 124 ILE QG1 . 19954 1 1180 . 1 1 124 124 ILE HG13 H 1 0.106 0.008 . . . . . . 124 ILE QG1 . 19954 1 1181 . 1 1 124 124 ILE HG21 H 1 0.603 0.007 . . . . . . 124 ILE QG2 . 19954 1 1182 . 1 1 124 124 ILE HG22 H 1 0.603 0.007 . . . . . . 124 ILE QG2 . 19954 1 1183 . 1 1 124 124 ILE HG23 H 1 0.603 0.007 . . . . . . 124 ILE QG2 . 19954 1 1184 . 1 1 124 124 ILE HD11 H 1 0.549 0.004 . . . . . . 124 ILE QD1 . 19954 1 1185 . 1 1 124 124 ILE HD12 H 1 0.549 0.004 . . . . . . 124 ILE QD1 . 19954 1 1186 . 1 1 124 124 ILE HD13 H 1 0.549 0.004 . . . . . . 124 ILE QD1 . 19954 1 1187 . 1 1 124 124 ILE CA C 13 63.666 0.260 . . . . . . 124 ILE CA . 19954 1 1188 . 1 1 124 124 ILE CB C 13 34.742 0.089 . . . . . . 124 ILE CB . 19954 1 1189 . 1 1 124 124 ILE CG1 C 13 20.046 0.032 . . . . . . 124 ILE CG1 . 19954 1 1190 . 1 1 124 124 ILE CG2 C 13 15.498 0.050 . . . . . . 124 ILE CG2 . 19954 1 1191 . 1 1 124 124 ILE CD1 C 13 13.449 0.078 . . . . . . 124 ILE CD1 . 19954 1 1192 . 1 1 124 124 ILE N N 15 123.085 0.053 . . . . . . 124 ILE N . 19954 1 1193 . 1 1 125 125 ARG H H 1 7.998 0.010 . . . . . . 125 ARG H . 19954 1 1194 . 1 1 125 125 ARG HA H 1 3.105 0.013 . . . . . . 125 ARG HA . 19954 1 1195 . 1 1 125 125 ARG HB2 H 1 0.966 0.011 . . . . . . 125 ARG HB2 . 19954 1 1196 . 1 1 125 125 ARG HB3 H 1 1.713 0.008 . . . . . . 125 ARG HB3 . 19954 1 1197 . 1 1 125 125 ARG HG2 H 1 0.966 0.009 . . . . . . 125 ARG HG2 . 19954 1 1198 . 1 1 125 125 ARG HG3 H 1 0.420 0.003 . . . . . . 125 ARG HG3 . 19954 1 1199 . 1 1 125 125 ARG HD2 H 1 2.744 0.004 . . . . . . 125 ARG HD2 . 19954 1 1200 . 1 1 125 125 ARG HD3 H 1 2.453 0.004 . . . . . . 125 ARG HD3 . 19954 1 1201 . 1 1 125 125 ARG CA C 13 58.024 0.095 . . . . . . 125 ARG CA . 19954 1 1202 . 1 1 125 125 ARG CB C 13 31.971 0.004 . . . . . . 125 ARG CB . 19954 1 1203 . 1 1 125 125 ARG CG C 13 24.448 0.019 . . . . . . 125 ARG CG . 19954 1 1204 . 1 1 125 125 ARG CD C 13 40.428 0.090 . . . . . . 125 ARG CD . 19954 1 1205 . 1 1 125 125 ARG N N 15 122.183 0.023 . . . . . . 125 ARG N . 19954 1 1206 . 1 1 126 126 MET H H 1 7.459 0.014 . . . . . . 126 MET H . 19954 1 1207 . 1 1 126 126 MET HA H 1 3.972 0.005 . . . . . . 126 MET HA . 19954 1 1208 . 1 1 126 126 MET HB2 H 1 2.423 0.008 . . . . . . 126 MET HB2 . 19954 1 1209 . 1 1 126 126 MET HB3 H 1 2.614 0.006 . . . . . . 126 MET HB3 . 19954 1 1210 . 1 1 126 126 MET HG2 H 1 1.962 0.019 . . . . . . 126 MET QG . 19954 1 1211 . 1 1 126 126 MET HG3 H 1 1.962 0.019 . . . . . . 126 MET QG . 19954 1 1212 . 1 1 126 126 MET HE1 H 1 1.924 0.012 . . . . . . 126 MET QE . 19954 1 1213 . 1 1 126 126 MET HE2 H 1 1.924 0.012 . . . . . . 126 MET QE . 19954 1 1214 . 1 1 126 126 MET HE3 H 1 1.924 0.012 . . . . . . 126 MET QE . 19954 1 1215 . 1 1 126 126 MET CA C 13 55.879 0.113 . . . . . . 126 MET CA . 19954 1 1216 . 1 1 126 126 MET CB C 13 29.856 0.055 . . . . . . 126 MET CB . 19954 1 1217 . 1 1 126 126 MET CG C 13 30.903 0.034 . . . . . . 126 MET CG . 19954 1 1218 . 1 1 126 126 MET CE C 13 14.459 0.041 . . . . . . 126 MET CE . 19954 1 1219 . 1 1 126 126 MET N N 15 115.183 0.006 . . . . . . 126 MET N . 19954 1 1220 . 1 1 127 127 LEU H H 1 7.490 0.011 . . . . . . 127 LEU H . 19954 1 1221 . 1 1 127 127 LEU HA H 1 3.553 0.012 . . . . . . 127 LEU HA . 19954 1 1222 . 1 1 127 127 LEU HB2 H 1 1.044 0.023 . . . . . . 127 LEU HB2 . 19954 1 1223 . 1 1 127 127 LEU HB3 H 1 1.253 0.007 . . . . . . 127 LEU HB3 . 19954 1 1224 . 1 1 127 127 LEU HG H 1 0.894 0.000 . . . . . . 127 LEU HG . 19954 1 1225 . 1 1 127 127 LEU HD11 H 1 0.502 0.008 . . . . . . 127 LEU QD1 . 19954 1 1226 . 1 1 127 127 LEU HD12 H 1 0.502 0.008 . . . . . . 127 LEU QD1 . 19954 1 1227 . 1 1 127 127 LEU HD13 H 1 0.502 0.008 . . . . . . 127 LEU QD1 . 19954 1 1228 . 1 1 127 127 LEU HD21 H 1 0.326 0.006 . . . . . . 127 LEU QD2 . 19954 1 1229 . 1 1 127 127 LEU HD22 H 1 0.326 0.006 . . . . . . 127 LEU QD2 . 19954 1 1230 . 1 1 127 127 LEU HD23 H 1 0.326 0.006 . . . . . . 127 LEU QD2 . 19954 1 1231 . 1 1 127 127 LEU CA C 13 54.799 0.131 . . . . . . 127 LEU CA . 19954 1 1232 . 1 1 127 127 LEU CB C 13 39.281 0.065 . . . . . . 127 LEU CB . 19954 1 1233 . 1 1 127 127 LEU CD1 C 13 21.066 0.000 . . . . . . 127 LEU CD1 . 19954 1 1234 . 1 1 127 127 LEU CD2 C 13 23.439 0.041 . . . . . . 127 LEU CD2 . 19954 1 1235 . 1 1 127 127 LEU N N 15 122.400 0.046 . . . . . . 127 LEU N . 19954 1 1236 . 1 1 128 128 LEU H H 1 7.833 0.000 . . . . . . 128 LEU H . 19954 1 1237 . 1 1 128 128 LEU HA H 1 3.689 0.000 . . . . . . 128 LEU HA . 19954 1 1238 . 1 1 128 128 LEU HB2 H 1 1.307 0.006 . . . . . . 128 LEU HB2 . 19954 1 1239 . 1 1 128 128 LEU HB3 H 1 1.891 0.007 . . . . . . 128 LEU HB3 . 19954 1 1240 . 1 1 128 128 LEU HG H 1 1.708 0.000 . . . . . . 128 LEU HG . 19954 1 1241 . 1 1 128 128 LEU HD11 H 1 1.907 0.017 . . . . . . 128 LEU QD1 . 19954 1 1242 . 1 1 128 128 LEU HD12 H 1 1.907 0.017 . . . . . . 128 LEU QD1 . 19954 1 1243 . 1 1 128 128 LEU HD13 H 1 1.907 0.017 . . . . . . 128 LEU QD1 . 19954 1 1244 . 1 1 128 128 LEU HD21 H 1 1.004 0.004 . . . . . . 128 LEU QD2 . 19954 1 1245 . 1 1 128 128 LEU HD22 H 1 1.004 0.004 . . . . . . 128 LEU QD2 . 19954 1 1246 . 1 1 128 128 LEU HD23 H 1 1.004 0.004 . . . . . . 128 LEU QD2 . 19954 1 1247 . 1 1 128 128 LEU CA C 13 54.949 0.000 . . . . . . 128 LEU CA . 19954 1 1248 . 1 1 128 128 LEU CB C 13 38.809 0.048 . . . . . . 128 LEU CB . 19954 1 1249 . 1 1 128 128 LEU CD1 C 13 14.946 0.049 . . . . . . 128 LEU CD1 . 19954 1 1250 . 1 1 128 128 LEU CD2 C 13 19.652 0.000 . . . . . . 128 LEU CD2 . 19954 1 1251 . 1 1 129 129 ASP H H 1 7.049 0.018 . . . . . . 129 ASP H . 19954 1 1252 . 1 1 129 129 ASP HA H 1 4.223 0.001 . . . . . . 129 ASP HA . 19954 1 1253 . 1 1 129 129 ASP HB2 H 1 2.602 0.002 . . . . . . 129 ASP HB2 . 19954 1 1254 . 1 1 129 129 ASP HB3 H 1 2.777 0.009 . . . . . . 129 ASP HB3 . 19954 1 1255 . 1 1 129 129 ASP CA C 13 52.599 0.000 . . . . . . 129 ASP CA . 19954 1 1256 . 1 1 129 129 ASP CB C 13 37.862 0.094 . . . . . . 129 ASP CB . 19954 1 1257 . 1 1 129 129 ASP N N 15 116.938 0.063 . . . . . . 129 ASP N . 19954 1 1258 . 1 1 130 130 ILE H H 1 7.676 0.000 . . . . . . 130 ILE H . 19954 1 1259 . 1 1 130 130 ILE HA H 1 3.660 0.019 . . . . . . 130 ILE HA . 19954 1 1260 . 1 1 130 130 ILE HB H 1 1.911 0.009 . . . . . . 130 ILE HB . 19954 1 1261 . 1 1 130 130 ILE HG12 H 1 1.000 0.012 . . . . . . 130 ILE HG12 . 19954 1 1262 . 1 1 130 130 ILE HG13 H 1 1.450 0.003 . . . . . . 130 ILE HG13 . 19954 1 1263 . 1 1 130 130 ILE HG21 H 1 0.779 0.007 . . . . . . 130 ILE QG2 . 19954 1 1264 . 1 1 130 130 ILE HG22 H 1 0.779 0.007 . . . . . . 130 ILE QG2 . 19954 1 1265 . 1 1 130 130 ILE HG23 H 1 0.779 0.007 . . . . . . 130 ILE QG2 . 19954 1 1266 . 1 1 130 130 ILE HD11 H 1 0.338 0.003 . . . . . . 130 ILE QD1 . 19954 1 1267 . 1 1 130 130 ILE HD12 H 1 0.338 0.003 . . . . . . 130 ILE QD1 . 19954 1 1268 . 1 1 130 130 ILE HD13 H 1 0.338 0.003 . . . . . . 130 ILE QD1 . 19954 1 1269 . 1 1 130 130 ILE CB C 13 34.774 0.025 . . . . . . 130 ILE CB . 19954 1 1270 . 1 1 130 130 ILE CG1 C 13 26.127 0.048 . . . . . . 130 ILE CG1 . 19954 1 1271 . 1 1 130 130 ILE CG2 C 13 13.944 0.179 . . . . . . 130 ILE CG2 . 19954 1 1272 . 1 1 130 130 ILE CD1 C 13 10.286 0.027 . . . . . . 130 ILE CD1 . 19954 1 1273 . 1 1 130 130 ILE N N 15 124.125 0.000 . . . . . . 130 ILE N . 19954 1 1274 . 1 1 131 131 TRP H H 1 8.841 0.012 . . . . . . 131 TRP H . 19954 1 1275 . 1 1 131 131 TRP HA H 1 3.663 0.010 . . . . . . 131 TRP HA . 19954 1 1276 . 1 1 131 131 TRP CA C 13 61.838 0.095 . . . . . . 131 TRP CA . 19954 1 1277 . 1 1 131 131 TRP N N 15 125.455 0.091 . . . . . . 131 TRP N . 19954 1 1278 . 1 1 132 132 ASP H H 1 7.546 0.007 . . . . . . 132 ASP H . 19954 1 1279 . 1 1 132 132 ASP HA H 1 3.789 0.003 . . . . . . 132 ASP HA . 19954 1 1280 . 1 1 132 132 ASP HB2 H 1 2.760 0.022 . . . . . . 132 ASP HB2 . 19954 1 1281 . 1 1 132 132 ASP HB3 H 1 3.054 0.006 . . . . . . 132 ASP HB3 . 19954 1 1282 . 1 1 132 132 ASP CA C 13 55.588 0.000 . . . . . . 132 ASP CA . 19954 1 1283 . 1 1 132 132 ASP N N 15 109.207 0.060 . . . . . . 132 ASP N . 19954 1 1284 . 1 1 133 133 ARG H H 1 8.137 0.007 . . . . . . 133 ARG H . 19954 1 1285 . 1 1 133 133 ARG HA H 1 3.895 0.008 . . . . . . 133 ARG HA . 19954 1 1286 . 1 1 133 133 ARG HB2 H 1 1.815 0.011 . . . . . . 133 ARG QB . 19954 1 1287 . 1 1 133 133 ARG HB3 H 1 1.815 0.011 . . . . . . 133 ARG QB . 19954 1 1288 . 1 1 133 133 ARG HD2 H 1 3.050 0.015 . . . . . . 133 ARG QD . 19954 1 1289 . 1 1 133 133 ARG HD3 H 1 3.050 0.015 . . . . . . 133 ARG QD . 19954 1 1290 . 1 1 133 133 ARG N N 15 117.715 0.058 . . . . . . 133 ARG N . 19954 1 1291 . 1 1 134 134 SER H H 1 8.304 0.005 . . . . . . 134 SER H . 19954 1 1292 . 1 1 134 134 SER HA H 1 4.185 0.002 . . . . . . 134 SER HA . 19954 1 1293 . 1 1 134 134 SER N N 15 110.755 0.058 . . . . . . 134 SER N . 19954 1 1294 . 1 1 135 135 GLY H H 1 8.156 0.009 . . . . . . 135 GLY H . 19954 1 1295 . 1 1 135 135 GLY HA2 H 1 3.852 0.000 . . . . . . 135 GLY QA . 19954 1 1296 . 1 1 135 135 GLY HA3 H 1 3.852 0.000 . . . . . . 135 GLY QA . 19954 1 1297 . 1 1 135 135 GLY CA C 13 42.494 0.015 . . . . . . 135 GLY CA . 19954 1 1298 . 1 1 135 135 GLY N N 15 108.620 0.081 . . . . . . 135 GLY N . 19954 1 1299 . 1 1 136 136 LEU H H 1 8.223 0.017 . . . . . . 136 LEU H . 19954 1 1300 . 1 1 136 136 LEU HG H 1 1.532 0.000 . . . . . . 136 LEU HG . 19954 1 1301 . 1 1 136 136 LEU N N 15 108.782 0.084 . . . . . . 136 LEU N . 19954 1 1302 . 1 1 138 138 GLN HA H 1 4.699 0.011 . . . . . . 138 GLN HA . 19954 1 1303 . 1 1 138 138 GLN HB2 H 1 2.643 0.000 . . . . . . 138 GLN HB2 . 19954 1 1304 . 1 1 138 138 GLN HB3 H 1 2.751 0.000 . . . . . . 138 GLN HB3 . 19954 1 1305 . 1 1 138 138 GLN HE22 H 1 6.874 0.009 . . . . . . 138 GLN HE22 . 19954 1 1306 . 1 1 139 139 LYS H H 1 7.503 0.003 . . . . . . 139 LYS H . 19954 1 1307 . 1 1 139 139 LYS HA H 1 4.313 0.007 . . . . . . 139 LYS HA . 19954 1 1308 . 1 1 139 139 LYS HB2 H 1 1.850 0.039 . . . . . . 139 LYS QB . 19954 1 1309 . 1 1 139 139 LYS HB3 H 1 1.850 0.039 . . . . . . 139 LYS QB . 19954 1 1310 . 1 1 139 139 LYS HG2 H 1 1.130 0.000 . . . . . . 139 LYS HG2 . 19954 1 1311 . 1 1 139 139 LYS HG3 H 1 1.266 0.005 . . . . . . 139 LYS HG3 . 19954 1 1312 . 1 1 139 139 LYS HD2 H 1 1.475 0.013 . . . . . . 139 LYS HD2 . 19954 1 1313 . 1 1 139 139 LYS HD3 H 1 1.642 0.006 . . . . . . 139 LYS HD3 . 19954 1 1314 . 1 1 139 139 LYS HE2 H 1 3.280 0.005 . . . . . . 139 LYS HE2 . 19954 1 1315 . 1 1 139 139 LYS HE3 H 1 3.513 0.008 . . . . . . 139 LYS HE3 . 19954 1 1316 . 1 1 139 139 LYS CA C 13 51.636 0.102 . . . . . . 139 LYS CA . 19954 1 1317 . 1 1 139 139 LYS CD C 13 30.350 0.067 . . . . . . 139 LYS CD . 19954 1 1318 . 1 1 139 139 LYS CE C 13 47.649 0.040 . . . . . . 139 LYS CE . 19954 1 1319 . 1 1 139 139 LYS N N 15 120.713 0.054 . . . . . . 139 LYS N . 19954 1 1320 . 1 1 140 140 SER H H 1 8.597 0.007 . . . . . . 140 SER H . 19954 1 1321 . 1 1 140 140 SER HA H 1 3.921 0.008 . . . . . . 140 SER HA . 19954 1 1322 . 1 1 140 140 SER HB2 H 1 3.737 0.004 . . . . . . 140 SER QB . 19954 1 1323 . 1 1 140 140 SER HB3 H 1 3.737 0.004 . . . . . . 140 SER QB . 19954 1 1324 . 1 1 140 140 SER CA C 13 58.620 0.000 . . . . . . 140 SER CA . 19954 1 1325 . 1 1 140 140 SER N N 15 125.578 0.081 . . . . . . 140 SER N . 19954 1 1326 . 1 1 141 141 TYR H H 1 7.040 0.006 . . . . . . 141 TYR H . 19954 1 1327 . 1 1 141 141 TYR HA H 1 4.455 0.009 . . . . . . 141 TYR HA . 19954 1 1328 . 1 1 141 141 TYR HB2 H 1 2.689 0.019 . . . . . . 141 TYR HB2 . 19954 1 1329 . 1 1 141 141 TYR HB3 H 1 3.337 0.008 . . . . . . 141 TYR HB3 . 19954 1 1330 . 1 1 141 141 TYR CA C 13 54.721 0.012 . . . . . . 141 TYR CA . 19954 1 1331 . 1 1 141 141 TYR N N 15 123.049 0.022 . . . . . . 141 TYR N . 19954 1 1332 . 1 1 142 142 LEU H H 1 7.332 0.011 . . . . . . 142 LEU H . 19954 1 1333 . 1 1 142 142 LEU HA H 1 4.453 0.008 . . . . . . 142 LEU HA . 19954 1 1334 . 1 1 142 142 LEU HB2 H 1 1.899 0.004 . . . . . . 142 LEU QB . 19954 1 1335 . 1 1 142 142 LEU HB3 H 1 1.899 0.004 . . . . . . 142 LEU QB . 19954 1 1336 . 1 1 142 142 LEU HG H 1 1.334 0.000 . . . . . . 142 LEU HG . 19954 1 1337 . 1 1 142 142 LEU HD11 H 1 1.036 0.036 . . . . . . 142 LEU QD1 . 19954 1 1338 . 1 1 142 142 LEU HD12 H 1 1.036 0.036 . . . . . . 142 LEU QD1 . 19954 1 1339 . 1 1 142 142 LEU HD13 H 1 1.036 0.036 . . . . . . 142 LEU QD1 . 19954 1 1340 . 1 1 142 142 LEU HD21 H 1 2.003 0.021 . . . . . . 142 LEU QD2 . 19954 1 1341 . 1 1 142 142 LEU HD22 H 1 2.003 0.021 . . . . . . 142 LEU QD2 . 19954 1 1342 . 1 1 142 142 LEU HD23 H 1 2.003 0.021 . . . . . . 142 LEU QD2 . 19954 1 1343 . 1 1 142 142 LEU N N 15 116.973 0.035 . . . . . . 142 LEU N . 19954 1 1344 . 1 1 143 143 ASN HD22 H 1 6.655 0.015 . . . . . . 143 ASN HD22 . 19954 1 1345 . 1 1 143 143 ASN CA C 13 55.555 0.000 . . . . . . 143 ASN CA . 19954 1 1346 . 1 1 144 144 ALA H H 1 7.694 0.015 . . . . . . 144 ALA H . 19954 1 1347 . 1 1 144 144 ALA HA H 1 4.101 0.007 . . . . . . 144 ALA HA . 19954 1 1348 . 1 1 144 144 ALA HB1 H 1 1.477 0.008 . . . . . . 144 ALA QB . 19954 1 1349 . 1 1 144 144 ALA HB2 H 1 1.477 0.008 . . . . . . 144 ALA QB . 19954 1 1350 . 1 1 144 144 ALA HB3 H 1 1.477 0.008 . . . . . . 144 ALA QB . 19954 1 1351 . 1 1 144 144 ALA CA C 13 52.882 0.123 . . . . . . 144 ALA CA . 19954 1 1352 . 1 1 144 144 ALA CB C 13 15.390 0.062 . . . . . . 144 ALA CB . 19954 1 1353 . 1 1 145 145 ILE H H 1 7.212 0.033 . . . . . . 145 ILE H . 19954 1 1354 . 1 1 145 145 ILE HA H 1 3.829 0.009 . . . . . . 145 ILE HA . 19954 1 1355 . 1 1 145 145 ILE HB H 1 2.278 0.013 . . . . . . 145 ILE HB . 19954 1 1356 . 1 1 145 145 ILE HG12 H 1 1.335 0.012 . . . . . . 145 ILE HG12 . 19954 1 1357 . 1 1 145 145 ILE HG13 H 1 1.875 0.012 . . . . . . 145 ILE HG13 . 19954 1 1358 . 1 1 145 145 ILE HG21 H 1 0.742 0.004 . . . . . . 145 ILE QG2 . 19954 1 1359 . 1 1 145 145 ILE HG22 H 1 0.742 0.004 . . . . . . 145 ILE QG2 . 19954 1 1360 . 1 1 145 145 ILE HG23 H 1 0.742 0.004 . . . . . . 145 ILE QG2 . 19954 1 1361 . 1 1 145 145 ILE HD11 H 1 0.738 0.004 . . . . . . 145 ILE QD1 . 19954 1 1362 . 1 1 145 145 ILE HD12 H 1 0.738 0.004 . . . . . . 145 ILE QD1 . 19954 1 1363 . 1 1 145 145 ILE HD13 H 1 0.738 0.004 . . . . . . 145 ILE QD1 . 19954 1 1364 . 1 1 145 145 ILE CA C 13 58.344 0.208 . . . . . . 145 ILE CA . 19954 1 1365 . 1 1 145 145 ILE CG2 C 13 16.131 0.102 . . . . . . 145 ILE CG2 . 19954 1 1366 . 1 1 145 145 ILE CD1 C 13 6.442 0.070 . . . . . . 145 ILE CD1 . 19954 1 1367 . 1 1 145 145 ILE N N 15 117.746 0.121 . . . . . . 145 ILE N . 19954 1 1368 . 1 1 146 146 ARG H H 1 8.468 0.009 . . . . . . 146 ARG H . 19954 1 1369 . 1 1 146 146 ARG HA H 1 3.895 0.016 . . . . . . 146 ARG HA . 19954 1 1370 . 1 1 146 146 ARG HB2 H 1 1.938 0.004 . . . . . . 146 ARG QB . 19954 1 1371 . 1 1 146 146 ARG HB3 H 1 1.938 0.004 . . . . . . 146 ARG QB . 19954 1 1372 . 1 1 146 146 ARG HG2 H 1 1.466 0.008 . . . . . . 146 ARG HG2 . 19954 1 1373 . 1 1 146 146 ARG HG3 H 1 1.790 0.014 . . . . . . 146 ARG HG3 . 19954 1 1374 . 1 1 146 146 ARG HD2 H 1 3.096 0.000 . . . . . . 146 ARG QD . 19954 1 1375 . 1 1 146 146 ARG HD3 H 1 3.096 0.000 . . . . . . 146 ARG QD . 19954 1 1376 . 1 1 146 146 ARG CA C 13 58.438 0.169 . . . . . . 146 ARG CA . 19954 1 1377 . 1 1 146 146 ARG CB C 13 27.783 0.021 . . . . . . 146 ARG CB . 19954 1 1378 . 1 1 146 146 ARG N N 15 121.072 0.089 . . . . . . 146 ARG N . 19954 1 1379 . 1 1 147 147 SER H H 1 8.183 0.013 . . . . . . 147 SER H . 19954 1 1380 . 1 1 147 147 SER HA H 1 4.162 0.011 . . . . . . 147 SER HA . 19954 1 1381 . 1 1 147 147 SER HB2 H 1 3.830 0.008 . . . . . . 147 SER QB . 19954 1 1382 . 1 1 147 147 SER HB3 H 1 3.830 0.008 . . . . . . 147 SER QB . 19954 1 1383 . 1 1 147 147 SER CA C 13 58.642 0.195 . . . . . . 147 SER CA . 19954 1 1384 . 1 1 147 147 SER CB C 13 60.902 0.014 . . . . . . 147 SER CB . 19954 1 1385 . 1 1 147 147 SER N N 15 111.818 0.020 . . . . . . 147 SER N . 19954 1 1386 . 1 1 148 148 LYS H H 1 7.843 0.008 . . . . . . 148 LYS H . 19954 1 1387 . 1 1 148 148 LYS HA H 1 4.126 0.018 . . . . . . 148 LYS HA . 19954 1 1388 . 1 1 148 148 LYS HB2 H 1 1.834 0.015 . . . . . . 148 LYS QB . 19954 1 1389 . 1 1 148 148 LYS HB3 H 1 1.834 0.015 . . . . . . 148 LYS QB . 19954 1 1390 . 1 1 148 148 LYS CA C 13 56.017 0.000 . . . . . . 148 LYS CA . 19954 1 1391 . 1 1 148 148 LYS N N 15 118.640 0.037 . . . . . . 148 LYS N . 19954 1 1392 . 1 1 149 149 CYS H H 1 8.283 0.006 . . . . . . 149 CYS H . 19954 1 1393 . 1 1 149 149 CYS HA H 1 4.142 0.016 . . . . . . 149 CYS HA . 19954 1 1394 . 1 1 149 149 CYS HB2 H 1 2.130 0.002 . . . . . . 149 CYS HB2 . 19954 1 1395 . 1 1 149 149 CYS HB3 H 1 2.301 0.014 . . . . . . 149 CYS HB3 . 19954 1 1396 . 1 1 149 149 CYS N N 15 113.294 0.017 . . . . . . 149 CYS N . 19954 1 1397 . 1 1 150 150 PHE H H 1 7.452 0.007 . . . . . . 150 PHE H . 19954 1 1398 . 1 1 150 150 PHE HA H 1 4.840 0.022 . . . . . . 150 PHE HA . 19954 1 1399 . 1 1 150 150 PHE HB2 H 1 2.827 0.008 . . . . . . 150 PHE HB2 . 19954 1 1400 . 1 1 150 150 PHE HB3 H 1 3.317 0.003 . . . . . . 150 PHE HB3 . 19954 1 1401 . 1 1 150 150 PHE CA C 13 54.200 0.000 . . . . . . 150 PHE CA . 19954 1 1402 . 1 1 150 150 PHE N N 15 116.120 0.034 . . . . . . 150 PHE N . 19954 1 1403 . 1 1 151 151 ALA H H 1 7.722 0.013 . . . . . . 151 ALA H . 19954 1 1404 . 1 1 151 151 ALA HA H 1 4.176 0.008 . . . . . . 151 ALA HA . 19954 1 1405 . 1 1 151 151 ALA HB1 H 1 1.320 0.005 . . . . . . 151 ALA QB . 19954 1 1406 . 1 1 151 151 ALA HB2 H 1 1.320 0.005 . . . . . . 151 ALA QB . 19954 1 1407 . 1 1 151 151 ALA HB3 H 1 1.320 0.005 . . . . . . 151 ALA QB . 19954 1 1408 . 1 1 151 151 ALA CA C 13 50.641 0.122 . . . . . . 151 ALA CA . 19954 1 1409 . 1 1 151 151 ALA CB C 13 15.937 0.098 . . . . . . 151 ALA CB . 19954 1 1410 . 1 1 151 151 ALA N N 15 122.612 0.080 . . . . . . 151 ALA N . 19954 1 1411 . 1 1 152 152 MET H H 1 8.107 0.023 . . . . . . 152 MET H . 19954 1 1412 . 1 1 152 152 MET HA H 1 4.266 0.013 . . . . . . 152 MET HA . 19954 1 1413 . 1 1 152 152 MET HB2 H 1 1.745 0.016 . . . . . . 152 MET HB2 . 19954 1 1414 . 1 1 152 152 MET HB3 H 1 1.902 0.005 . . . . . . 152 MET HB3 . 19954 1 1415 . 1 1 152 152 MET HG2 H 1 2.372 0.013 . . . . . . 152 MET HG2 . 19954 1 1416 . 1 1 152 152 MET HG3 H 1 2.445 0.012 . . . . . . 152 MET HG3 . 19954 1 1417 . 1 1 152 152 MET CA C 13 53.482 0.137 . . . . . . 152 MET CA . 19954 1 1418 . 1 1 152 152 MET CB C 13 30.488 0.086 . . . . . . 152 MET CB . 19954 1 1419 . 1 1 152 152 MET CG C 13 29.747 0.136 . . . . . . 152 MET CG . 19954 1 1420 . 1 1 152 152 MET N N 15 118.267 0.046 . . . . . . 152 MET N . 19954 1 1421 . 1 1 153 153 ASP H H 1 8.299 0.011 . . . . . . 153 ASP H . 19954 1 1422 . 1 1 153 153 ASP HA H 1 4.479 0.004 . . . . . . 153 ASP HA . 19954 1 1423 . 1 1 153 153 ASP HB2 H 1 2.491 0.022 . . . . . . 153 ASP HB2 . 19954 1 1424 . 1 1 153 153 ASP HB3 H 1 2.626 0.027 . . . . . . 153 ASP HB3 . 19954 1 1425 . 1 1 153 153 ASP CA C 13 51.629 0.123 . . . . . . 153 ASP CA . 19954 1 1426 . 1 1 153 153 ASP CB C 13 38.460 0.108 . . . . . . 153 ASP CB . 19954 1 1427 . 1 1 153 153 ASP N N 15 121.689 0.087 . . . . . . 153 ASP N . 19954 1 1428 . 1 1 154 154 LEU H H 1 8.078 0.019 . . . . . . 154 LEU H . 19954 1 1429 . 1 1 154 154 LEU HA H 1 4.109 0.006 . . . . . . 154 LEU HA . 19954 1 1430 . 1 1 154 154 LEU HB2 H 1 1.401 0.016 . . . . . . 154 LEU HB2 . 19954 1 1431 . 1 1 154 154 LEU HB3 H 1 1.463 0.009 . . . . . . 154 LEU HB3 . 19954 1 1432 . 1 1 154 154 LEU HD11 H 1 0.679 0.008 . . . . . . 154 LEU QD1 . 19954 1 1433 . 1 1 154 154 LEU HD12 H 1 0.679 0.008 . . . . . . 154 LEU QD1 . 19954 1 1434 . 1 1 154 154 LEU HD13 H 1 0.679 0.008 . . . . . . 154 LEU QD1 . 19954 1 1435 . 1 1 154 154 LEU HD21 H 1 0.747 0.011 . . . . . . 154 LEU QD2 . 19954 1 1436 . 1 1 154 154 LEU HD22 H 1 0.747 0.011 . . . . . . 154 LEU QD2 . 19954 1 1437 . 1 1 154 154 LEU HD23 H 1 0.747 0.011 . . . . . . 154 LEU QD2 . 19954 1 1438 . 1 1 154 154 LEU CA C 13 52.866 0.140 . . . . . . 154 LEU CA . 19954 1 1439 . 1 1 154 154 LEU CB C 13 39.716 0.111 . . . . . . 154 LEU CB . 19954 1 1440 . 1 1 154 154 LEU CD1 C 13 20.757 0.099 . . . . . . 154 LEU CD1 . 19954 1 1441 . 1 1 154 154 LEU CD2 C 13 22.823 0.068 . . . . . . 154 LEU CD2 . 19954 1 1442 . 1 1 154 154 LEU N N 15 122.366 0.064 . . . . . . 154 LEU N . 19954 1 1443 . 1 1 155 155 GLU H H 1 8.177 0.018 . . . . . . 155 GLU H . 19954 1 1444 . 1 1 155 155 GLU HA H 1 3.993 0.006 . . . . . . 155 GLU HA . 19954 1 1445 . 1 1 155 155 GLU HB2 H 1 1.732 0.009 . . . . . . 155 GLU QB . 19954 1 1446 . 1 1 155 155 GLU HB3 H 1 1.732 0.009 . . . . . . 155 GLU QB . 19954 1 1447 . 1 1 155 155 GLU HG2 H 1 1.955 0.011 . . . . . . 155 GLU HG2 . 19954 1 1448 . 1 1 155 155 GLU HG3 H 1 2.042 0.007 . . . . . . 155 GLU HG3 . 19954 1 1449 . 1 1 155 155 GLU CA C 13 54.299 0.153 . . . . . . 155 GLU CA . 19954 1 1450 . 1 1 155 155 GLU CB C 13 27.634 0.000 . . . . . . 155 GLU CB . 19954 1 1451 . 1 1 155 155 GLU CG C 13 33.694 0.102 . . . . . . 155 GLU CG . 19954 1 1452 . 1 1 155 155 GLU N N 15 120.092 0.073 . . . . . . 155 GLU N . 19954 1 1453 . 1 1 156 156 HIS H H 1 8.008 0.017 . . . . . . 156 HIS H . 19954 1 1454 . 1 1 156 156 HIS HA H 1 4.231 0.014 . . . . . . 156 HIS HA . 19954 1 1455 . 1 1 156 156 HIS HB2 H 1 1.935 0.012 . . . . . . 156 HIS QB . 19954 1 1456 . 1 1 156 156 HIS HB3 H 1 1.935 0.012 . . . . . . 156 HIS QB . 19954 1 1457 . 1 1 156 156 HIS CA C 13 53.443 0.001 . . . . . . 156 HIS CA . 19954 1 1458 . 1 1 156 156 HIS N N 15 118.980 0.012 . . . . . . 156 HIS N . 19954 1 1459 . 1 1 157 157 HIS H H 1 8.575 0.010 . . . . . . 157 HIS H . 19954 1 1460 . 1 1 157 157 HIS HA H 1 4.430 0.009 . . . . . . 157 HIS HA . 19954 1 1461 . 1 1 157 157 HIS HB2 H 1 2.895 0.026 . . . . . . 157 HIS QB . 19954 1 1462 . 1 1 157 157 HIS HB3 H 1 2.895 0.026 . . . . . . 157 HIS QB . 19954 1 1463 . 1 1 157 157 HIS CA C 13 53.252 0.002 . . . . . . 157 HIS CA . 19954 1 1464 . 1 1 157 157 HIS N N 15 121.878 0.084 . . . . . . 157 HIS N . 19954 1 1465 . 1 1 158 158 HIS H H 1 7.858 0.043 . . . . . . 158 HIS H . 19954 1 1466 . 1 1 158 158 HIS HA H 1 4.703 0.005 . . . . . . 158 HIS HA . 19954 1 1467 . 1 1 158 158 HIS HB2 H 1 2.869 0.000 . . . . . . 158 HIS QB . 19954 1 1468 . 1 1 158 158 HIS HB3 H 1 2.869 0.000 . . . . . . 158 HIS QB . 19954 1 1469 . 1 1 158 158 HIS CA C 13 54.628 0.000 . . . . . . 158 HIS CA . 19954 1 1470 . 1 1 158 158 HIS N N 15 125.581 0.099 . . . . . . 158 HIS N . 19954 1 1471 . 1 1 159 159 HIS H H 1 8.332 0.001 . . . . . . 159 HIS H . 19954 1 1472 . 1 1 159 159 HIS HB2 H 1 2.613 0.000 . . . . . . 159 HIS QB . 19954 1 1473 . 1 1 159 159 HIS HB3 H 1 2.613 0.000 . . . . . . 159 HIS QB . 19954 1 1474 . 1 1 159 159 HIS N N 15 121.898 0.022 . . . . . . 159 HIS N . 19954 1 1475 . 1 1 160 160 HIS HA H 1 4.527 0.000 . . . . . . 160 HIS HA . 19954 1 stop_ save_