data_17270 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17270 _Entry.Title ; Complex between BD1 of Brd3 and GATA-1 C-tail ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-10-31 _Entry.Accession_date 2010-10-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Roland Gamsjaeger . . . 17270 2 Sarah Webb . R. . 17270 3 Janine Lamonica . M. . 17270 4 Gerd Blobel . A. . 17270 5 Joel Mackay . P. . 17270 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' . 17270 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Acetylation . 17270 Brd3 . 17270 GATA-1 . 17270 'histone code' . 17270 NMR . 17270 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17270 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 589 17270 '15N chemical shifts' 141 17270 '1H chemical shifts' 885 17270 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 2 . . 2011-06-24 2010-10-31 update author 'update entry citation' 17270 1 . . 2011-05-18 2010-10-31 original author 'original release' 17270 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L5E 'BMRB Entry Tracking System' 17270 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17270 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21555453 _Citation.Full_citation . _Citation.Title 'Structural Basis and Specificity of Acetylated Transcription Factor GATA1 Recognition by BET Family Bromodomain Protein Brd3.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell. Biol.' _Citation.Journal_name_full 'Molecular and cellular biology' _Citation.Journal_volume 31 _Citation.Journal_issue 13 _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 2632 _Citation.Page_last 2640 _Citation.Year 2011 _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 Roland Gamsjaeger . . . 17270 1 2 Sarah Webb . R. . 17270 1 3 Janine Lamonica . M. . 17270 1 4 Andrew Billin . . . 17270 1 5 Gerd Blobel . A. . 17270 1 6 Joel Mackay . P. . 17270 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17270 _Assembly.ID 1 _Assembly.Name 'Brd3 in complex with GATA-1 C-tail' _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 Brd3 1 $Brd3 A . yes native no no . . . 17270 1 2 'GATA-1 C-tail' 2 $GATA-1_C-tail B . yes native no no . . . 17270 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Brd3 _Entity.Sf_category entity _Entity.Sf_framecode Brd3 _Entity.Entry_ID 17270 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Brd3 _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 ; GPLGSEVSNPSKPGRKTNQL QYMQNVVVKTLWKHQFAWPF YQPVDAIKLNLPDYHKIIKN PMDMGTIKKRLENNYYWSAS ECMQDFNTMFTNCYIYNKPT DDIVLMAQALEKIFLQKVAQ MPQEEVEL ; _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14967.378 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L5E . "Complex Between Bd1 Of Brd3 And Gata-1 C-Tail" . . . . . 100.00 128 100.00 100.00 7.63e-90 . . . . 17270 1 2 no PDB 2NXB . "Crystal Structure Of Human Bromodomain Containing Protein 3 (Brd3)" . . . . . 93.75 123 100.00 100.00 2.38e-83 . . . . 17270 1 3 no PDB 2YW5 . "Solution Structure Of The Bromodomain From Human Bromodomain Containing Protein 3" . . . . . 101.56 138 96.92 96.92 8.21e-86 . . . . 17270 1 4 no PDB 3S91 . "Crystal Structure Of The First Bromodomain Of Human Brd3 In Complex With The Inhibitor Jq1" . . . . . 93.75 123 100.00 100.00 2.38e-83 . . . . 17270 1 5 no GB ETE60652 . "hypothetical protein L345_13604, partial [Ophiophagus hannah]" . . . . . 96.09 166 97.56 100.00 4.62e-84 . . . . 17270 1 6 no REF XP_008069962 . "PREDICTED: bromodomain-containing protein 3-like, partial [Tarsius syrichta]" . . . . . 96.09 327 97.56 97.56 4.73e-83 . . . . 17270 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 20 GLY . 17270 1 2 21 PRO . 17270 1 3 22 LEU . 17270 1 4 23 GLY . 17270 1 5 24 SER . 17270 1 6 25 GLU . 17270 1 7 26 VAL . 17270 1 8 27 SER . 17270 1 9 28 ASN . 17270 1 10 29 PRO . 17270 1 11 30 SER . 17270 1 12 31 LYS . 17270 1 13 32 PRO . 17270 1 14 33 GLY . 17270 1 15 34 ARG . 17270 1 16 35 LYS . 17270 1 17 36 THR . 17270 1 18 37 ASN . 17270 1 19 38 GLN . 17270 1 20 39 LEU . 17270 1 21 40 GLN . 17270 1 22 41 TYR . 17270 1 23 42 MET . 17270 1 24 43 GLN . 17270 1 25 44 ASN . 17270 1 26 45 VAL . 17270 1 27 46 VAL . 17270 1 28 47 VAL . 17270 1 29 48 LYS . 17270 1 30 49 THR . 17270 1 31 50 LEU . 17270 1 32 51 TRP . 17270 1 33 52 LYS . 17270 1 34 53 HIS . 17270 1 35 54 GLN . 17270 1 36 55 PHE . 17270 1 37 56 ALA . 17270 1 38 57 TRP . 17270 1 39 58 PRO . 17270 1 40 59 PHE . 17270 1 41 60 TYR . 17270 1 42 61 GLN . 17270 1 43 62 PRO . 17270 1 44 63 VAL . 17270 1 45 64 ASP . 17270 1 46 65 ALA . 17270 1 47 66 ILE . 17270 1 48 67 LYS . 17270 1 49 68 LEU . 17270 1 50 69 ASN . 17270 1 51 70 LEU . 17270 1 52 71 PRO . 17270 1 53 72 ASP . 17270 1 54 73 TYR . 17270 1 55 74 HIS . 17270 1 56 75 LYS . 17270 1 57 76 ILE . 17270 1 58 77 ILE . 17270 1 59 78 LYS . 17270 1 60 79 ASN . 17270 1 61 80 PRO . 17270 1 62 81 MET . 17270 1 63 82 ASP . 17270 1 64 83 MET . 17270 1 65 84 GLY . 17270 1 66 85 THR . 17270 1 67 86 ILE . 17270 1 68 87 LYS . 17270 1 69 88 LYS . 17270 1 70 89 ARG . 17270 1 71 90 LEU . 17270 1 72 91 GLU . 17270 1 73 92 ASN . 17270 1 74 93 ASN . 17270 1 75 94 TYR . 17270 1 76 95 TYR . 17270 1 77 96 TRP . 17270 1 78 97 SER . 17270 1 79 98 ALA . 17270 1 80 99 SER . 17270 1 81 100 GLU . 17270 1 82 101 CYS . 17270 1 83 102 MET . 17270 1 84 103 GLN . 17270 1 85 104 ASP . 17270 1 86 105 PHE . 17270 1 87 106 ASN . 17270 1 88 107 THR . 17270 1 89 108 MET . 17270 1 90 109 PHE . 17270 1 91 110 THR . 17270 1 92 111 ASN . 17270 1 93 112 CYS . 17270 1 94 113 TYR . 17270 1 95 114 ILE . 17270 1 96 115 TYR . 17270 1 97 116 ASN . 17270 1 98 117 LYS . 17270 1 99 118 PRO . 17270 1 100 119 THR . 17270 1 101 120 ASP . 17270 1 102 121 ASP . 17270 1 103 122 ILE . 17270 1 104 123 VAL . 17270 1 105 124 LEU . 17270 1 106 125 MET . 17270 1 107 126 ALA . 17270 1 108 127 GLN . 17270 1 109 128 ALA . 17270 1 110 129 LEU . 17270 1 111 130 GLU . 17270 1 112 131 LYS . 17270 1 113 132 ILE . 17270 1 114 133 PHE . 17270 1 115 134 LEU . 17270 1 116 135 GLN . 17270 1 117 136 LYS . 17270 1 118 137 VAL . 17270 1 119 138 ALA . 17270 1 120 139 GLN . 17270 1 121 140 MET . 17270 1 122 141 PRO . 17270 1 123 142 GLN . 17270 1 124 143 GLU . 17270 1 125 144 GLU . 17270 1 126 145 VAL . 17270 1 127 146 GLU . 17270 1 128 147 LEU . 17270 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17270 1 . PRO 2 2 17270 1 . LEU 3 3 17270 1 . GLY 4 4 17270 1 . SER 5 5 17270 1 . GLU 6 6 17270 1 . VAL 7 7 17270 1 . SER 8 8 17270 1 . ASN 9 9 17270 1 . PRO 10 10 17270 1 . SER 11 11 17270 1 . LYS 12 12 17270 1 . PRO 13 13 17270 1 . GLY 14 14 17270 1 . ARG 15 15 17270 1 . LYS 16 16 17270 1 . THR 17 17 17270 1 . ASN 18 18 17270 1 . GLN 19 19 17270 1 . LEU 20 20 17270 1 . GLN 21 21 17270 1 . TYR 22 22 17270 1 . MET 23 23 17270 1 . GLN 24 24 17270 1 . ASN 25 25 17270 1 . VAL 26 26 17270 1 . VAL 27 27 17270 1 . VAL 28 28 17270 1 . LYS 29 29 17270 1 . THR 30 30 17270 1 . LEU 31 31 17270 1 . TRP 32 32 17270 1 . LYS 33 33 17270 1 . HIS 34 34 17270 1 . GLN 35 35 17270 1 . PHE 36 36 17270 1 . ALA 37 37 17270 1 . TRP 38 38 17270 1 . PRO 39 39 17270 1 . PHE 40 40 17270 1 . TYR 41 41 17270 1 . GLN 42 42 17270 1 . PRO 43 43 17270 1 . VAL 44 44 17270 1 . ASP 45 45 17270 1 . ALA 46 46 17270 1 . ILE 47 47 17270 1 . LYS 48 48 17270 1 . LEU 49 49 17270 1 . ASN 50 50 17270 1 . LEU 51 51 17270 1 . PRO 52 52 17270 1 . ASP 53 53 17270 1 . TYR 54 54 17270 1 . HIS 55 55 17270 1 . LYS 56 56 17270 1 . ILE 57 57 17270 1 . ILE 58 58 17270 1 . LYS 59 59 17270 1 . ASN 60 60 17270 1 . PRO 61 61 17270 1 . MET 62 62 17270 1 . ASP 63 63 17270 1 . MET 64 64 17270 1 . GLY 65 65 17270 1 . THR 66 66 17270 1 . ILE 67 67 17270 1 . LYS 68 68 17270 1 . LYS 69 69 17270 1 . ARG 70 70 17270 1 . LEU 71 71 17270 1 . GLU 72 72 17270 1 . ASN 73 73 17270 1 . ASN 74 74 17270 1 . TYR 75 75 17270 1 . TYR 76 76 17270 1 . TRP 77 77 17270 1 . SER 78 78 17270 1 . ALA 79 79 17270 1 . SER 80 80 17270 1 . GLU 81 81 17270 1 . CYS 82 82 17270 1 . MET 83 83 17270 1 . GLN 84 84 17270 1 . ASP 85 85 17270 1 . PHE 86 86 17270 1 . ASN 87 87 17270 1 . THR 88 88 17270 1 . MET 89 89 17270 1 . PHE 90 90 17270 1 . THR 91 91 17270 1 . ASN 92 92 17270 1 . CYS 93 93 17270 1 . TYR 94 94 17270 1 . ILE 95 95 17270 1 . TYR 96 96 17270 1 . ASN 97 97 17270 1 . LYS 98 98 17270 1 . PRO 99 99 17270 1 . THR 100 100 17270 1 . ASP 101 101 17270 1 . ASP 102 102 17270 1 . ILE 103 103 17270 1 . VAL 104 104 17270 1 . LEU 105 105 17270 1 . MET 106 106 17270 1 . ALA 107 107 17270 1 . GLN 108 108 17270 1 . ALA 109 109 17270 1 . LEU 110 110 17270 1 . GLU 111 111 17270 1 . LYS 112 112 17270 1 . ILE 113 113 17270 1 . PHE 114 114 17270 1 . LEU 115 115 17270 1 . GLN 116 116 17270 1 . LYS 117 117 17270 1 . VAL 118 118 17270 1 . ALA 119 119 17270 1 . GLN 120 120 17270 1 . MET 121 121 17270 1 . PRO 122 122 17270 1 . GLN 123 123 17270 1 . GLU 124 124 17270 1 . GLU 125 125 17270 1 . VAL 126 126 17270 1 . GLU 127 127 17270 1 . LEU 128 128 17270 1 stop_ save_ save_GATA-1_C-tail _Entity.Sf_category entity _Entity.Sf_framecode GATA-1_C-tail _Entity.Entry_ID 17270 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name GATA-1_C-tail _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 KASGXGKXLRGSN _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 308 LYS . 17270 2 2 309 ALA . 17270 2 3 310 SER . 17270 2 4 311 GLY . 17270 2 5 312 ALY . 17270 2 6 313 GLY . 17270 2 7 314 LYS . 17270 2 8 315 ALY . 17270 2 9 316 LEU . 17270 2 10 317 ARG . 17270 2 11 318 GLY . 17270 2 12 319 SER . 17270 2 13 320 ASN . 17270 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 . LYS 1 1 17270 2 . ALA 2 2 17270 2 . SER 3 3 17270 2 . GLY 4 4 17270 2 . ALY 5 5 17270 2 . GLY 6 6 17270 2 . LYS 7 7 17270 2 . ALY 8 8 17270 2 . LEU 9 9 17270 2 . ARG 10 10 17270 2 . GLY 11 11 17270 2 . SER 12 12 17270 2 . ASN 13 13 17270 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 17270 _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 $Brd3 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17270 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 17270 _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 $Brd3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGex6P . . . . . . 17270 1 2 2 $GATA-1_C-tail . 'chemical synthesis' peptide . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17270 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ALY _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ALY _Chem_comp.Entry_ID 17270 _Chem_comp.ID ALY _Chem_comp.Provenance PDB _Chem_comp.Name N(6)-ACETYLLYSINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code ALY _Chem_comp.PDB_code ALY _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2000-08-18 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code K _Chem_comp.Three_letter_code ALY _Chem_comp.Number_atoms_all 29 _Chem_comp.Number_atoms_nh 13 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID LYS _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C8 H16 N2 O3' _Chem_comp.Formula_weight 188.224 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1E6I _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(=O)NCCCCC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 17270 ALY CC(=O)NCCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17270 ALY CC(=O)NCCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 17270 ALY CC(=O)NCCCC[CH](N)C(O)=O SMILES CACTVS 3.341 17270 ALY DTERQYGMUDWYAZ-ZETCQYMHSA-N InChIKey InChI 1.03 17270 ALY InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 InChI InChI 1.03 17270 ALY O=C(NCCCCC(N)C(=O)O)C SMILES ACDLabs 10.04 17270 ALY stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-6-acetamido-2-amino-hexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17270 ALY N~6~-acetyl-L-lysine 'SYSTEMATIC NAME' ACDLabs 10.04 17270 ALY stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID OH OH OH OH . O . . N 0 . . . 1 no no . . . . 9.990 . 20.290 . -7.423 . 1.006 -0.557 4.738 1 . 17270 ALY CH CH CH CH . C . . N 0 . . . 1 no no . . . . 11.031 . 21.048 . -7.196 . -0.053 0.007 4.572 2 . 17270 ALY CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . 11.087 . 21.981 . -6.014 . -0.861 0.460 5.761 3 . 17270 ALY NZ NZ NZ NZ . N . . N 0 . . . 1 no no . . . . 12.165 . 21.027 . -8.042 . -0.509 0.231 3.324 4 . 17270 ALY CE CE CE CE . C . . N 0 . . . 1 no no . . . . 11.999 . 20.068 . -9.164 . 0.275 -0.208 2.167 5 . 17270 ALY CD CD CD CD . C . . N 0 . . . 1 no no . . . . 11.485 . 20.768 . -10.423 . -0.461 0.164 0.879 6 . 17270 ALY CG CG CG CG . C . . N 0 . . . 1 no no . . . . 11.544 . 19.848 . -11.637 . 0.358 -0.294 -0.327 7 . 17270 ALY CB CB CB CB . C . . N 0 . . . 1 no no . . . . 12.935 . 19.885 . -12.249 . -0.377 0.078 -1.615 8 . 17270 ALY CA CA CA CA . C . . S 0 . . . 1 no no . . . . 13.188 . 18.796 . -13.285 . 0.442 -0.381 -2.823 9 . 17270 ALY N N N N . N . . N 0 . . . 1 no no . . . . 14.473 . 19.072 . -13.889 . 1.755 0.276 -2.802 10 . 17270 ALY C C C C . C . . N 0 . . . 1 no no . . . . 12.124 . 18.861 . -14.337 . -0.283 -0.013 -4.092 11 . 17270 ALY O O O O . O . . N 0 . . . 1 no no . . . . 12.100 . 19.891 . -15.140 . -0.079 1.056 -4.616 12 . 17270 ALY OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 11.219 . 17.899 . -14.413 . -1.155 -0.873 -4.640 13 . 17270 ALY HH31 HH31 HH31 1HH3 . H . . N 0 . . . 0 no no . . . . 11.974 . 22.627 . -5.820 . -0.336 0.194 6.679 14 . 17270 ALY HH32 HH32 HH32 2HH3 . H . . N 0 . . . 0 no no . . . . 10.187 . 22.638 . -6.054 . -0.994 1.541 5.719 15 . 17270 ALY HH33 HH33 HH33 3HH3 . H . . N 0 . . . 0 no no . . . . 10.894 . 21.380 . -5.094 . -1.835 -0.027 5.746 16 . 17270 ALY HZ HZ HZ HNZ . H . . N 0 . . . 1 no no . . . . 12.980 . 21.615 . -7.868 . -1.357 0.683 3.191 17 . 17270 ALY HE3 HE3 HE3 1HCE . H . . N 0 . . . 1 no no . . . . 12.940 . 19.505 . -9.364 . 1.250 0.278 2.183 18 . 17270 ALY HE2 HE2 HE2 2HCE . H . . N 0 . . . 1 no no . . . . 11.345 . 19.211 . -8.876 . 0.409 -1.289 2.209 19 . 17270 ALY HD3 HD3 HD3 1HCD . H . . N 0 . . . 1 no no . . . . 10.459 . 21.178 . -10.271 . -1.435 -0.322 0.864 20 . 17270 ALY HD2 HD2 HD2 2HCD . H . . N 0 . . . 1 no no . . . . 12.028 . 21.724 . -10.608 . -0.594 1.245 0.837 21 . 17270 ALY HG3 HG3 HG3 1HCG . H . . N 0 . . . 1 no no . . . . 11.223 . 18.809 . -11.390 . 1.333 0.192 -0.312 22 . 17270 ALY HG2 HG2 HG2 2HCG . H . . N 0 . . . 1 no no . . . . 10.752 . 20.089 . -12.383 . 0.492 -1.375 -0.285 23 . 17270 ALY HB3 HB3 HB3 1HCB . H . . N 0 . . . 1 no no . . . . 13.145 . 20.891 . -12.680 . -1.352 -0.409 -1.631 24 . 17270 ALY HB2 HB2 HB2 2HCB . H . . N 0 . . . 1 no no . . . . 13.713 . 19.854 . -11.451 . -0.511 1.159 -1.657 25 . 17270 ALY HCA HCA HCA HCA . H . . N 0 . . . 1 no no . . . . 13.175 . 17.784 . -12.815 . 0.575 -1.462 -2.781 26 . 17270 ALY H H H 1HN . H . . N 0 . . . 1 no no . . . . 14.642 . 18.343 . -14.582 . 1.583 1.269 -2.842 27 . 17270 ALY H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 15.225 . 19.156 . -13.206 . 2.159 0.088 -1.896 28 . 17270 ALY HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 10.544 . 17.940 . -15.080 . -1.620 -0.637 -5.454 29 . 17270 ALY stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB OH CH no N 1 . 17270 ALY 2 . SING CH CH3 no N 2 . 17270 ALY 3 . SING CH NZ no N 3 . 17270 ALY 4 . SING CH3 HH31 no N 4 . 17270 ALY 5 . SING CH3 HH32 no N 5 . 17270 ALY 6 . SING CH3 HH33 no N 6 . 17270 ALY 7 . SING NZ CE no N 7 . 17270 ALY 8 . SING NZ HZ no N 8 . 17270 ALY 9 . SING CE CD no N 9 . 17270 ALY 10 . SING CE HE3 no N 10 . 17270 ALY 11 . SING CE HE2 no N 11 . 17270 ALY 12 . SING CD CG no N 12 . 17270 ALY 13 . SING CD HD3 no N 13 . 17270 ALY 14 . SING CD HD2 no N 14 . 17270 ALY 15 . SING CG CB no N 15 . 17270 ALY 16 . SING CG HG3 no N 16 . 17270 ALY 17 . SING CG HG2 no N 17 . 17270 ALY 18 . SING CB CA no N 18 . 17270 ALY 19 . SING CB HB3 no N 19 . 17270 ALY 20 . SING CB HB2 no N 20 . 17270 ALY 21 . SING CA N no N 21 . 17270 ALY 22 . SING CA C no N 22 . 17270 ALY 23 . SING CA HCA no N 23 . 17270 ALY 24 . SING N H no N 24 . 17270 ALY 25 . SING N H2 no N 25 . 17270 ALY 26 . DOUB C O no N 26 . 17270 ALY 27 . SING C OXT no N 27 . 17270 ALY 28 . SING OXT HXT no N 28 . 17270 ALY stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17270 _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 Brd3 '[U-13C; U-15N]' . . 1 $Brd3 . . . 0.5 1.5 mM . . . . 17270 1 2 GATA-1_C-tail 'natural abundance' . . 2 $GATA-1_C-tail . . . 0.5 1.5 mM . . . . 17270 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 17270 1 4 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 17270 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17270 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17270 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17270 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17270 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 Brd3 '[U-13C; U-15N]' . . 1 $Brd3 . . . 0.5 1.5 mM . . . . 17270 2 2 GATA-1_C-tail 'natural abundance' . . 2 $GATA-1_C-tail . . . 0.5 1.5 mM . . . . 17270 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 17270 2 4 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 17270 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17270 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17270 2 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 17270 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 17270 1 pressure 1 . atm 17270 1 temperature 298 . K 17270 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17270 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17270 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17270 1 refinement 17270 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 17270 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17270 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 17270 _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 . 600 . . . 17270 1 2 spectrometer_2 Bruker Avance . 800 . . . 17270 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 17270 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17270 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17270 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17270 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17270 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17270 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17270 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17270 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17270 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17270 1 10 '3D (H)CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17270 1 11 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17270 1 12 '3D HCC(CO)NH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17270 1 13 '3D CC(CO)NH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17270 1 14 '3D 13C sep (F2) 15N13C filtered (F1) NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17270 1 15 '3D 13C sep (F1) 15N13C filtered (F3) NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17270 1 16 '2D 15N13C filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17270 1 17 '2D 15N13C filtered TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17270 1 18 '3D 13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17270 1 19 '3D 15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17270 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 17270 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 17270 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 17270 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17270 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 17270 _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 1 '2D 1H-15N HSQC' . . . 17270 1 2 '2D 1H-13C HSQC' . . . 17270 1 3 '3D CBCA(CO)NH' . . . 17270 1 4 '3D HNCACB' . . . 17270 1 5 '3D HNCO' . . . 17270 1 6 '3D HN(CO)CA' . . . 17270 1 7 '3D HBHA(CO)NH' . . . 17270 1 9 '3D HCCH-TOCSY' . . . 17270 1 10 '3D (H)CCH-TOCSY' . . . 17270 1 11 '3D HNHA' . . . 17270 1 12 '3D HCC(CO)NH TOCSY' . . . 17270 1 13 '3D CC(CO)NH TOCSY' . . . 17270 1 18 '3D 13C NOESY' . . . 17270 1 19 '3D 15N NOESY' . . . 17270 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 2 2 PRO HA H 1 4.456 0.003 . 1 12 . . . 21 P HA . 17270 1 2 . 1 1 2 2 PRO HB2 H 1 2.292 0.004 . 2 5 . . . 21 P HB2 . 17270 1 3 . 1 1 2 2 PRO HB3 H 1 1.958 0.024 . 2 3 . . . 21 P HB3 . 17270 1 4 . 1 1 2 2 PRO HD2 H 1 3.539 0.001 . 2 2 . . . 21 P HD2 . 17270 1 5 . 1 1 2 2 PRO HD3 H 1 3.575 0.001 . 2 2 . . . 21 P HD3 . 17270 1 6 . 1 1 2 2 PRO HG2 H 1 1.998 0.009 . 2 9 . . . 21 P HG2 . 17270 1 7 . 1 1 2 2 PRO C C 13 177.017 0.000 . 1 2 . . . 21 P C . 17270 1 8 . 1 1 2 2 PRO CA C 13 63.189 0.117 . 1 12 . . . 21 P CA . 17270 1 9 . 1 1 2 2 PRO CB C 13 32.215 0.080 . 1 5 . . . 21 P CB . 17270 1 10 . 1 1 2 2 PRO CD C 13 49.744 0.175 . 1 2 . . . 21 P CD . 17270 1 11 . 1 1 2 2 PRO CG C 13 27.067 0.045 . 1 9 . . . 21 P CG . 17270 1 12 . 1 1 3 3 LEU H H 1 8.554 0.003 . 1 23 . . . 22 L HN . 17270 1 13 . 1 1 3 3 LEU HA H 1 4.355 0.004 . 1 7 . . . 22 L HA . 17270 1 14 . 1 1 3 3 LEU HB2 H 1 1.593 0.010 . 2 7 . . . 22 L HB2 . 17270 1 15 . 1 1 3 3 LEU HB3 H 1 1.673 0.001 . 2 6 . . . 22 L HB3 . 17270 1 16 . 1 1 3 3 LEU HD11 H 1 0.916 0.013 . 4 9 . . . 22 L HD11 . 17270 1 17 . 1 1 3 3 LEU HD12 H 1 0.916 0.013 . 4 9 . . . 22 L HD11 . 17270 1 18 . 1 1 3 3 LEU HD13 H 1 0.916 0.013 . 4 9 . . . 22 L HD11 . 17270 1 19 . 1 1 3 3 LEU HG H 1 1.662 0.001 . 1 4 . . . 22 L HG . 17270 1 20 . 1 1 3 3 LEU C C 13 177.937 0.011 . 1 3 . . . 22 L C . 17270 1 21 . 1 1 3 3 LEU CA C 13 55.354 0.016 . 1 7 . . . 22 L CA . 17270 1 22 . 1 1 3 3 LEU CB C 13 42.231 0.041 . 1 20 . . . 22 L CB . 17270 1 23 . 1 1 3 3 LEU CD1 C 13 24.914 0.062 . 2 10 . . . 22 L CD1 . 17270 1 24 . 1 1 3 3 LEU CD2 C 13 23.484 0.069 . 2 5 . . . 22 L CD2 . 17270 1 25 . 1 1 3 3 LEU CG C 13 27.021 0.076 . 1 9 . . . 22 L CG . 17270 1 26 . 1 1 3 3 LEU N N 15 122.623 0.027 . 1 23 . . . 22 L N . 17270 1 27 . 1 1 4 4 GLY H H 1 8.452 0.002 . 1 20 . . . 23 G HN . 17270 1 28 . 1 1 4 4 GLY HA2 H 1 4.004 0.005 . 2 4 . . . 23 G HA2 . 17270 1 29 . 1 1 4 4 GLY C C 13 174.209 0.008 . 1 2 . . . 23 G C . 17270 1 30 . 1 1 4 4 GLY CA C 13 45.209 0.031 . 1 4 . . . 23 G CA . 17270 1 31 . 1 1 4 4 GLY N N 15 110.222 0.031 . 1 20 . . . 23 G N . 17270 1 32 . 1 1 5 5 SER H H 1 8.172 0.003 . 1 15 . . . 24 S HN . 17270 1 33 . 1 1 5 5 SER HA H 1 4.467 0.015 . 1 5 . . . 24 S HA . 17270 1 34 . 1 1 5 5 SER HB2 H 1 3.823 0.019 . 2 7 . . . 24 S HB2 . 17270 1 35 . 1 1 5 5 SER C C 13 174.423 0.055 . 1 3 . . . 24 S C . 17270 1 36 . 1 1 5 5 SER CA C 13 58.254 0.044 . 1 5 . . . 24 S CA . 17270 1 37 . 1 1 5 5 SER CB C 13 63.828 0.109 . 1 6 . . . 24 S CB . 17270 1 38 . 1 1 5 5 SER N N 15 115.758 0.023 . 1 15 . . . 24 S N . 17270 1 39 . 1 1 6 6 GLU H H 1 8.664 0.003 . 1 24 . . . 25 E HN . 17270 1 40 . 1 1 6 6 GLU HA H 1 4.315 0.018 . 1 8 . . . 25 E HA . 17270 1 41 . 1 1 6 6 GLU HB2 H 1 2.098 0.008 . 2 6 . . . 25 E HB2 . 17270 1 42 . 1 1 6 6 GLU HB3 H 1 2.028 0.009 . 2 4 . . . 25 E HB3 . 17270 1 43 . 1 1 6 6 GLU HG2 H 1 2.282 0.011 . 2 10 . . . 25 E HG2 . 17270 1 44 . 1 1 6 6 GLU C C 13 176.508 0.007 . 1 3 . . . 25 E C . 17270 1 45 . 1 1 6 6 GLU CA C 13 56.721 0.024 . 1 5 . . . 25 E CA . 17270 1 46 . 1 1 6 6 GLU CB C 13 29.876 0.076 . 1 8 . . . 25 E CB . 17270 1 47 . 1 1 6 6 GLU CG C 13 36.060 0.060 . 1 7 . . . 25 E CG . 17270 1 48 . 1 1 6 6 GLU N N 15 122.872 0.015 . 1 23 . . . 25 E N . 17270 1 49 . 1 1 7 7 VAL H H 1 8.249 0.011 . 1 24 . . . 26 V HN . 17270 1 50 . 1 1 7 7 VAL HA H 1 4.053 0.004 . 1 4 . . . 26 V HA . 17270 1 51 . 1 1 7 7 VAL HB H 1 2.086 0.015 . 1 6 . . . 26 V HB . 17270 1 52 . 1 1 7 7 VAL HG11 H 1 0.887 0.014 . 4 12 . . . 26 V HG11 . 17270 1 53 . 1 1 7 7 VAL HG12 H 1 0.887 0.014 . 4 12 . . . 26 V HG11 . 17270 1 54 . 1 1 7 7 VAL HG13 H 1 0.887 0.014 . 4 12 . . . 26 V HG11 . 17270 1 55 . 1 1 7 7 VAL C C 13 175.102 0.012 . 1 3 . . . 26 V C . 17270 1 56 . 1 1 7 7 VAL CA C 13 61.521 0.041 . 1 5 . . . 26 V CA . 17270 1 57 . 1 1 7 7 VAL CB C 13 32.452 0.095 . 1 6 . . . 26 V CB . 17270 1 58 . 1 1 7 7 VAL CG1 C 13 21.475 0.050 . 2 6 . . . 26 V CG1 . 17270 1 59 . 1 1 7 7 VAL CG2 C 13 19.454 0.000 . 2 2 . . . 26 V CG2 . 17270 1 60 . 1 1 7 7 VAL N N 15 117.778 0.024 . 1 22 . . . 26 V N . 17270 1 61 . 1 1 8 8 SER H H 1 8.002 0.006 . 1 33 . . . 27 S HN . 17270 1 62 . 1 1 8 8 SER HA H 1 4.560 0.007 . 1 5 . . . 27 S HA . 17270 1 63 . 1 1 8 8 SER HB2 H 1 3.772 0.020 . 2 4 . . . 27 S HB2 . 17270 1 64 . 1 1 8 8 SER C C 13 173.613 0.012 . 1 2 . . . 27 S C . 17270 1 65 . 1 1 8 8 SER CA C 13 57.774 0.030 . 1 3 . . . 27 S CA . 17270 1 66 . 1 1 8 8 SER CB C 13 64.192 0.048 . 1 4 . . . 27 S CB . 17270 1 67 . 1 1 8 8 SER N N 15 117.269 0.045 . 1 31 . . . 27 S N . 17270 1 68 . 1 1 9 9 ASN H H 1 8.786 0.010 . 1 22 . . . 28 N HN . 17270 1 69 . 1 1 9 9 ASN HA H 1 4.989 0.005 . 1 10 . . . 28 N HA . 17270 1 70 . 1 1 9 9 ASN HB2 H 1 2.746 0.008 . 2 9 . . . 28 N HB2 . 17270 1 71 . 1 1 9 9 ASN HB3 H 1 2.854 0.009 . 2 10 . . . 28 N HB3 . 17270 1 72 . 1 1 9 9 ASN HD21 H 1 7.777 0.006 . 2 10 . . . 28 N HD21 . 17270 1 73 . 1 1 9 9 ASN HD22 H 1 6.935 0.007 . 2 7 . . . 28 N HD22 . 17270 1 74 . 1 1 9 9 ASN C C 13 173.311 0.000 . 1 1 . . . 28 N C . 17270 1 75 . 1 1 9 9 ASN CA C 13 51.252 0.030 . 1 10 . . . 28 N CA . 17270 1 76 . 1 1 9 9 ASN CB C 13 39.150 0.045 . 1 9 . . . 28 N CB . 17270 1 77 . 1 1 9 9 ASN N N 15 121.554 0.020 . 1 21 . . . 28 N N . 17270 1 78 . 1 1 9 9 ASN ND2 N 15 113.263 0.217 . 1 14 . . . 28 N ND2 . 17270 1 79 . 1 1 10 10 PRO HA H 1 4.432 0.005 . 1 8 . . . 29 P HA . 17270 1 80 . 1 1 10 10 PRO HB2 H 1 2.237 0.009 . 2 5 . . . 29 P HB2 . 17270 1 81 . 1 1 10 10 PRO HB3 H 1 1.985 0.014 . 2 5 . . . 29 P HB3 . 17270 1 82 . 1 1 10 10 PRO HD2 H 1 3.761 0.012 . 2 6 . . . 29 P HD2 . 17270 1 83 . 1 1 10 10 PRO HG2 H 1 1.975 0.024 . 2 2 . . . 29 P HG2 . 17270 1 84 . 1 1 10 10 PRO C C 13 177.174 0.007 . 1 2 . . . 29 P C . 17270 1 85 . 1 1 10 10 PRO CA C 13 63.651 0.090 . 1 9 . . . 29 P CA . 17270 1 86 . 1 1 10 10 PRO CB C 13 32.060 0.076 . 1 4 . . . 29 P CB . 17270 1 87 . 1 1 10 10 PRO CD C 13 50.804 0.066 . 1 6 . . . 29 P CD . 17270 1 88 . 1 1 10 10 PRO CG C 13 26.944 0.060 . 1 3 . . . 29 P CG . 17270 1 89 . 1 1 11 11 SER H H 1 8.296 0.003 . 1 26 . . . 30 S HN . 17270 1 90 . 1 1 11 11 SER HA H 1 4.394 0.005 . 1 3 . . . 30 S HA . 17270 1 91 . 1 1 11 11 SER HB2 H 1 3.844 0.019 . 2 8 . . . 30 S HB2 . 17270 1 92 . 1 1 11 11 SER C C 13 173.670 0.005 . 1 2 . . . 30 S C . 17270 1 93 . 1 1 11 11 SER CA C 13 58.568 0.030 . 1 3 . . . 30 S CA . 17270 1 94 . 1 1 11 11 SER CB C 13 63.691 0.074 . 1 4 . . . 30 S CB . 17270 1 95 . 1 1 11 11 SER N N 15 114.910 0.027 . 1 25 . . . 30 S N . 17270 1 96 . 1 1 12 12 LYS H H 1 7.890 0.002 . 1 25 . . . 31 K HN . 17270 1 97 . 1 1 12 12 LYS HA H 1 4.591 0.014 . 1 16 . . . 31 K HA . 17270 1 98 . 1 1 12 12 LYS HB2 H 1 1.558 0.010 . 2 5 . . . 31 K HB2 . 17270 1 99 . 1 1 12 12 LYS HB3 H 1 1.706 0.010 . 2 6 . . . 31 K HB3 . 17270 1 100 . 1 1 12 12 LYS HD2 H 1 1.065 0.008 . 2 9 . . . 31 K HD2 . 17270 1 101 . 1 1 12 12 LYS HD3 H 1 1.305 0.002 . 2 6 . . . 31 K HD3 . 17270 1 102 . 1 1 12 12 LYS HE2 H 1 2.627 0.003 . 2 4 . . . 31 K HE2 . 17270 1 103 . 1 1 12 12 LYS HE3 H 1 2.682 0.006 . 2 5 . . . 31 K HE3 . 17270 1 104 . 1 1 12 12 LYS HG2 H 1 1.163 0.007 . 2 4 . . . 31 K HG2 . 17270 1 105 . 1 1 12 12 LYS HG3 H 1 1.184 0.005 . 2 3 . . . 31 K HG3 . 17270 1 106 . 1 1 12 12 LYS C C 13 173.648 0.000 . 1 1 . . . 31 K C . 17270 1 107 . 1 1 12 12 LYS CA C 13 53.626 0.026 . 1 17 . . . 31 K CA . 17270 1 108 . 1 1 12 12 LYS CB C 13 33.537 0.084 . 1 12 . . . 31 K CB . 17270 1 109 . 1 1 12 12 LYS CD C 13 28.875 0.061 . 1 18 . . . 31 K CD . 17270 1 110 . 1 1 12 12 LYS CE C 13 41.913 0.067 . 1 12 . . . 31 K CE . 17270 1 111 . 1 1 12 12 LYS CG C 13 23.889 0.029 . 1 14 . . . 31 K CG . 17270 1 112 . 1 1 12 12 LYS N N 15 124.518 0.023 . 1 24 . . . 31 K N . 17270 1 113 . 1 1 13 13 PRO HA H 1 4.464 0.006 . 1 3 . . . 32 P HA . 17270 1 114 . 1 1 13 13 PRO HB2 H 1 2.275 0.014 . 2 8 . . . 32 P HB2 . 17270 1 115 . 1 1 13 13 PRO HB3 H 1 1.937 0.002 . 2 5 . . . 32 P HB3 . 17270 1 116 . 1 1 13 13 PRO HD2 H 1 3.519 0.019 . 2 4 . . . 32 P HD2 . 17270 1 117 . 1 1 13 13 PRO HD3 H 1 3.588 0.010 . 2 2 . . . 32 P HD3 . 17270 1 118 . 1 1 13 13 PRO HG2 H 1 1.990 0.004 . 2 2 . . . 32 P HG2 . 17270 1 119 . 1 1 13 13 PRO C C 13 176.165 0.001 . 1 2 . . . 32 P C . 17270 1 120 . 1 1 13 13 PRO CA C 13 63.330 0.100 . 1 4 . . . 32 P CA . 17270 1 121 . 1 1 13 13 PRO CB C 13 32.325 0.061 . 1 10 . . . 32 P CB . 17270 1 122 . 1 1 13 13 PRO CD C 13 49.722 0.066 . 1 5 . . . 32 P CD . 17270 1 123 . 1 1 13 13 PRO CG C 13 27.167 0.052 . 1 5 . . . 32 P CG . 17270 1 124 . 1 1 14 14 GLY H H 1 8.007 0.003 . 1 24 . . . 33 G HN . 17270 1 125 . 1 1 14 14 GLY HA2 H 1 4.151 0.018 . 2 7 . . . 33 G HA2 . 17270 1 126 . 1 1 14 14 GLY HA3 H 1 3.911 0.007 . 2 5 . . . 33 G HA3 . 17270 1 127 . 1 1 14 14 GLY C C 13 173.337 0.010 . 1 2 . . . 33 G C . 17270 1 128 . 1 1 14 14 GLY CA C 13 44.016 0.088 . 1 6 . . . 33 G CA . 17270 1 129 . 1 1 14 14 GLY N N 15 109.126 0.053 . 1 24 . . . 33 G N . 17270 1 130 . 1 1 15 15 ARG H H 1 8.438 0.014 . 1 16 . . . 34 R HN . 17270 1 131 . 1 1 15 15 ARG HA H 1 4.619 0.004 . 1 9 . . . 34 R HA . 17270 1 132 . 1 1 15 15 ARG HB2 H 1 1.569 0.008 . 2 4 . . . 34 R HB2 . 17270 1 133 . 1 1 15 15 ARG HB3 H 1 1.428 0.006 . 2 8 . . . 34 R HB3 . 17270 1 134 . 1 1 15 15 ARG HE H 1 6.353 0.007 . 1 3 . . . 34 R HE . 17270 1 135 . 1 1 15 15 ARG HG2 H 1 1.132 0.017 . 2 5 . . . 34 R HG2 . 17270 1 136 . 1 1 15 15 ARG HH11 H 1 6.816 0.000 . 4 1 . . . 34 R HH11 . 17270 1 137 . 1 1 15 15 ARG C C 13 172.885 0.013 . 1 2 . . . 34 R C . 17270 1 138 . 1 1 15 15 ARG CA C 13 54.977 0.060 . 1 9 . . . 34 R CA . 17270 1 139 . 1 1 15 15 ARG CB C 13 33.627 0.058 . 1 9 . . . 34 R CB . 17270 1 140 . 1 1 15 15 ARG CD C 13 43.635 0.067 . 1 3 . . . 34 R CD . 17270 1 141 . 1 1 15 15 ARG CG C 13 25.757 0.092 . 1 3 . . . 34 R CG . 17270 1 142 . 1 1 15 15 ARG N N 15 117.110 0.099 . 1 13 . . . 34 R N . 17270 1 143 . 1 1 15 15 ARG NE N 15 86.030 0.000 . 1 1 . . . 34 R NE . 17270 1 144 . 1 1 16 16 LYS H H 1 8.355 0.006 . 1 23 . . . 35 K HN . 17270 1 145 . 1 1 16 16 LYS HA H 1 4.676 0.015 . 1 4 . . . 35 K HA . 17270 1 146 . 1 1 16 16 LYS HB2 H 1 1.749 0.011 . 2 12 . . . 35 K HB2 . 17270 1 147 . 1 1 16 16 LYS HD2 H 1 1.682 0.000 . 2 1 . . . 35 K HD2 . 17270 1 148 . 1 1 16 16 LYS HE2 H 1 2.990 0.011 . 2 4 . . . 35 K HE2 . 17270 1 149 . 1 1 16 16 LYS HG2 H 1 1.476 0.022 . 2 5 . . . 35 K HG2 . 17270 1 150 . 1 1 16 16 LYS C C 13 176.909 0.000 . 1 1 . . . 35 K C . 17270 1 151 . 1 1 16 16 LYS CA C 13 55.718 0.045 . 1 5 . . . 35 K CA . 17270 1 152 . 1 1 16 16 LYS CB C 13 33.797 0.103 . 1 13 . . . 35 K CB . 17270 1 153 . 1 1 16 16 LYS CD C 13 29.262 0.064 . 1 3 . . . 35 K CD . 17270 1 154 . 1 1 16 16 LYS CE C 13 41.784 0.000 . 1 2 . . . 35 K CE . 17270 1 155 . 1 1 16 16 LYS CG C 13 24.859 0.084 . 1 6 . . . 35 K CG . 17270 1 156 . 1 1 16 16 LYS N N 15 117.680 0.069 . 1 21 . . . 35 K N . 17270 1 157 . 1 1 17 17 THR H H 1 7.062 0.008 . 1 22 . . . 36 T HN . 17270 1 158 . 1 1 17 17 THR HA H 1 5.408 0.009 . 1 22 . . . 36 T HA . 17270 1 159 . 1 1 17 17 THR HB H 1 4.531 0.015 . 1 16 . . . 36 T HB . 17270 1 160 . 1 1 17 17 THR HG21 H 1 0.854 0.028 . 2 8 . . . 36 T HG21 . 17270 1 161 . 1 1 17 17 THR HG22 H 1 0.854 0.028 . 2 8 . . . 36 T HG21 . 17270 1 162 . 1 1 17 17 THR HG23 H 1 0.854 0.028 . 2 8 . . . 36 T HG21 . 17270 1 163 . 1 1 17 17 THR C C 13 174.200 0.018 . 1 3 . . . 36 T C . 17270 1 164 . 1 1 17 17 THR CA C 13 57.939 0.027 . 1 6 . . . 36 T CA . 17270 1 165 . 1 1 17 17 THR CB C 13 73.356 0.054 . 1 11 . . . 36 T CB . 17270 1 166 . 1 1 17 17 THR CG2 C 13 20.408 0.053 . 1 2 . . . 36 T CG2 . 17270 1 167 . 1 1 17 17 THR N N 15 110.791 0.049 . 1 16 . . . 36 T N . 17270 1 168 . 1 1 18 18 ASN H H 1 9.511 0.006 . 1 32 . . . 37 N HN . 17270 1 169 . 1 1 18 18 ASN HA H 1 4.405 0.004 . 1 13 . . . 37 N HA . 17270 1 170 . 1 1 18 18 ASN HB2 H 1 3.021 0.019 . 2 6 . . . 37 N HB2 . 17270 1 171 . 1 1 18 18 ASN HB3 H 1 3.105 0.017 . 2 9 . . . 37 N HB3 . 17270 1 172 . 1 1 18 18 ASN HD22 H 1 6.808 0.000 . 2 1 . . . 37 N HD22 . 17270 1 173 . 1 1 18 18 ASN C C 13 178.450 0.008 . 1 2 . . . 37 N C . 17270 1 174 . 1 1 18 18 ASN CA C 13 56.593 0.051 . 1 13 . . . 37 N CA . 17270 1 175 . 1 1 18 18 ASN CB C 13 35.571 0.055 . 1 6 . . . 37 N CB . 17270 1 176 . 1 1 18 18 ASN N N 15 122.187 0.051 . 1 27 . . . 37 N N . 17270 1 177 . 1 1 19 19 GLN H H 1 8.002 0.004 . 1 25 . . . 38 Q HN . 17270 1 178 . 1 1 19 19 GLN HA H 1 3.912 0.015 . 1 6 . . . 38 Q HA . 17270 1 179 . 1 1 19 19 GLN HB2 H 1 2.163 0.011 . 2 2 . . . 38 Q HB2 . 17270 1 180 . 1 1 19 19 GLN HE21 H 1 7.463 0.012 . 2 4 . . . 38 Q HE21 . 17270 1 181 . 1 1 19 19 GLN HE22 H 1 6.399 0.004 . 2 4 . . . 38 Q HE22 . 17270 1 182 . 1 1 19 19 GLN C C 13 178.464 0.012 . 1 2 . . . 38 Q C . 17270 1 183 . 1 1 19 19 GLN CA C 13 59.337 0.029 . 1 2 . . . 38 Q CA . 17270 1 184 . 1 1 19 19 GLN CB C 13 29.918 0.085 . 1 2 . . . 38 Q CB . 17270 1 185 . 1 1 19 19 GLN CG C 13 33.960 0.000 . 1 1 . . . 38 Q CG . 17270 1 186 . 1 1 19 19 GLN N N 15 123.480 0.054 . 1 22 . . . 38 Q N . 17270 1 187 . 1 1 19 19 GLN NE2 N 15 107.438 0.038 . 1 2 . . . 38 Q NE2 . 17270 1 188 . 1 1 20 20 LEU H H 1 8.396 0.003 . 1 26 . . . 39 L HN . 17270 1 189 . 1 1 20 20 LEU HA H 1 3.983 0.025 . 1 5 . . . 39 L HA . 17270 1 190 . 1 1 20 20 LEU HB2 H 1 1.934 0.011 . 2 6 . . . 39 L HB2 . 17270 1 191 . 1 1 20 20 LEU HB3 H 1 1.725 0.008 . 2 6 . . . 39 L HB3 . 17270 1 192 . 1 1 20 20 LEU HD11 H 1 0.853 0.013 . 2 2 . . . 39 L HD11 . 17270 1 193 . 1 1 20 20 LEU HD12 H 1 0.853 0.013 . 2 2 . . . 39 L HD11 . 17270 1 194 . 1 1 20 20 LEU HD13 H 1 0.853 0.013 . 2 2 . . . 39 L HD11 . 17270 1 195 . 1 1 20 20 LEU HD21 H 1 0.907 0.017 . 2 15 . . . 39 L HD21 . 17270 1 196 . 1 1 20 20 LEU HD22 H 1 0.907 0.017 . 2 15 . . . 39 L HD21 . 17270 1 197 . 1 1 20 20 LEU HD23 H 1 0.907 0.017 . 2 15 . . . 39 L HD21 . 17270 1 198 . 1 1 20 20 LEU C C 13 179.209 0.033 . 1 2 . . . 39 L C . 17270 1 199 . 1 1 20 20 LEU CA C 13 58.964 0.059 . 1 4 . . . 39 L CA . 17270 1 200 . 1 1 20 20 LEU CB C 13 41.748 0.034 . 1 7 . . . 39 L CB . 17270 1 201 . 1 1 20 20 LEU CG C 13 24.946 0.128 . 1 3 . . . 39 L CG . 17270 1 202 . 1 1 20 20 LEU N N 15 123.220 0.039 . 1 22 . . . 39 L N . 17270 1 203 . 1 1 21 21 GLN H H 1 8.743 0.007 . 1 32 . . . 40 Q HN . 17270 1 204 . 1 1 21 21 GLN HA H 1 4.190 0.014 . 1 8 . . . 40 Q HA . 17270 1 205 . 1 1 21 21 GLN HB2 H 1 2.224 0.015 . 2 9 . . . 40 Q HB2 . 17270 1 206 . 1 1 21 21 GLN HE21 H 1 7.690 0.002 . 2 3 . . . 40 Q HE21 . 17270 1 207 . 1 1 21 21 GLN HE22 H 1 6.965 0.003 . 2 4 . . . 40 Q HE22 . 17270 1 208 . 1 1 21 21 GLN HG2 H 1 2.390 0.023 . 2 6 . . . 40 Q HG2 . 17270 1 209 . 1 1 21 21 GLN C C 13 177.603 0.010 . 1 2 . . . 40 Q C . 17270 1 210 . 1 1 21 21 GLN CA C 13 59.350 0.042 . 1 7 . . . 40 Q CA . 17270 1 211 . 1 1 21 21 GLN CB C 13 29.182 0.062 . 1 8 . . . 40 Q CB . 17270 1 212 . 1 1 21 21 GLN CG C 13 34.556 0.126 . 1 3 . . . 40 Q CG . 17270 1 213 . 1 1 21 21 GLN N N 15 120.935 0.064 . 1 29 . . . 40 Q N . 17270 1 214 . 1 1 21 21 GLN NE2 N 15 112.105 0.080 . 1 7 . . . 40 Q NE2 . 17270 1 215 . 1 1 22 22 TYR H H 1 7.847 0.005 . 1 31 . . . 41 Y HN . 17270 1 216 . 1 1 22 22 TYR HA H 1 4.325 0.012 . 1 13 . . . 41 Y HA . 17270 1 217 . 1 1 22 22 TYR HB2 H 1 3.445 0.019 . 2 8 . . . 41 Y HB2 . 17270 1 218 . 1 1 22 22 TYR HB3 H 1 3.140 0.005 . 2 3 . . . 41 Y HB3 . 17270 1 219 . 1 1 22 22 TYR HD1 H 1 7.101 0.019 . 3 15 . . . 41 Y HD1 . 17270 1 220 . 1 1 22 22 TYR HE1 H 1 6.610 0.016 . 3 22 . . . 41 Y HE1 . 17270 1 221 . 1 1 22 22 TYR C C 13 179.146 0.030 . 1 3 . . . 41 Y C . 17270 1 222 . 1 1 22 22 TYR CA C 13 61.751 0.034 . 1 10 . . . 41 Y CA . 17270 1 223 . 1 1 22 22 TYR CB C 13 38.344 0.074 . 1 5 . . . 41 Y CB . 17270 1 224 . 1 1 22 22 TYR CD1 C 13 133.512 0.074 . 3 3 . . . 41 Y CD1 . 17270 1 225 . 1 1 22 22 TYR CD2 C 13 133.528 0.000 . 3 1 . . . 41 Y CD2 . 17270 1 226 . 1 1 22 22 TYR CE1 C 13 118.268 0.006 . 3 3 . . . 41 Y CE1 . 17270 1 227 . 1 1 22 22 TYR CE2 C 13 118.264 0.000 . 3 1 . . . 41 Y CE2 . 17270 1 228 . 1 1 22 22 TYR N N 15 121.805 0.046 . 1 28 . . . 41 Y N . 17270 1 229 . 1 1 23 23 MET H H 1 8.896 0.005 . 1 29 . . . 42 M HN . 17270 1 230 . 1 1 23 23 MET HA H 1 4.357 0.018 . 1 16 . . . 42 M HA . 17270 1 231 . 1 1 23 23 MET HB2 H 1 2.838 0.030 . 2 4 . . . 42 M HB2 . 17270 1 232 . 1 1 23 23 MET HB3 H 1 2.253 0.021 . 2 3 . . . 42 M HB3 . 17270 1 233 . 1 1 23 23 MET HE1 H 1 2.184 0.014 . 2 5 . . . 42 M HE1 . 17270 1 234 . 1 1 23 23 MET HE2 H 1 2.184 0.014 . 2 5 . . . 42 M HE1 . 17270 1 235 . 1 1 23 23 MET HE3 H 1 2.184 0.014 . 2 5 . . . 42 M HE1 . 17270 1 236 . 1 1 23 23 MET HG2 H 1 3.163 0.010 . 2 8 . . . 42 M HG2 . 17270 1 237 . 1 1 23 23 MET HG3 H 1 2.779 0.002 . 2 3 . . . 42 M HG3 . 17270 1 238 . 1 1 23 23 MET C C 13 177.111 0.037 . 1 2 . . . 42 M C . 17270 1 239 . 1 1 23 23 MET CA C 13 57.467 0.070 . 1 14 . . . 42 M CA . 17270 1 240 . 1 1 23 23 MET CB C 13 30.891 0.114 . 1 4 . . . 42 M CB . 17270 1 241 . 1 1 23 23 MET CE C 13 18.059 0.039 . 1 4 . . . 42 M CE . 17270 1 242 . 1 1 23 23 MET CG C 13 33.239 0.107 . 1 8 . . . 42 M CG . 17270 1 243 . 1 1 23 23 MET N N 15 120.476 0.060 . 1 25 . . . 42 M N . 17270 1 244 . 1 1 24 24 GLN H H 1 8.332 0.005 . 1 28 . . . 43 Q HN . 17270 1 245 . 1 1 24 24 GLN HA H 1 4.040 0.003 . 1 4 . . . 43 Q HA . 17270 1 246 . 1 1 24 24 GLN HB2 H 1 2.238 0.008 . 2 5 . . . 43 Q HB2 . 17270 1 247 . 1 1 24 24 GLN HE21 H 1 7.677 0.014 . 2 12 . . . 43 Q HE21 . 17270 1 248 . 1 1 24 24 GLN HE22 H 1 6.809 0.002 . 2 10 . . . 43 Q HE22 . 17270 1 249 . 1 1 24 24 GLN HG2 H 1 2.373 0.033 . 2 5 . . . 43 Q HG2 . 17270 1 250 . 1 1 24 24 GLN C C 13 177.017 0.020 . 1 3 . . . 43 Q C . 17270 1 251 . 1 1 24 24 GLN CA C 13 59.722 0.089 . 1 6 . . . 43 Q CA . 17270 1 252 . 1 1 24 24 GLN CB C 13 29.764 0.091 . 1 6 . . . 43 Q CB . 17270 1 253 . 1 1 24 24 GLN CG C 13 32.978 0.156 . 1 2 . . . 43 Q CG . 17270 1 254 . 1 1 24 24 GLN N N 15 118.575 0.047 . 1 25 . . . 43 Q N . 17270 1 255 . 1 1 24 24 GLN NE2 N 15 109.641 0.132 . 1 18 . . . 43 Q NE2 . 17270 1 256 . 1 1 25 25 ASN H H 1 8.970 0.006 . 1 34 . . . 44 N HN . 17270 1 257 . 1 1 25 25 ASN HA H 1 4.553 0.015 . 1 9 . . . 44 N HA . 17270 1 258 . 1 1 25 25 ASN HB2 H 1 2.846 0.012 . 2 7 . . . 44 N HB2 . 17270 1 259 . 1 1 25 25 ASN HD21 H 1 7.547 0.003 . 2 10 . . . 44 N HD21 . 17270 1 260 . 1 1 25 25 ASN HD22 H 1 6.913 0.002 . 2 8 . . . 44 N HD22 . 17270 1 261 . 1 1 25 25 ASN C C 13 175.385 0.008 . 1 2 . . . 44 N C . 17270 1 262 . 1 1 25 25 ASN CA C 13 54.831 0.031 . 1 8 . . . 44 N CA . 17270 1 263 . 1 1 25 25 ASN CB C 13 38.440 0.033 . 1 3 . . . 44 N CB . 17270 1 264 . 1 1 25 25 ASN N N 15 115.141 0.035 . 1 27 . . . 44 N N . 17270 1 265 . 1 1 25 25 ASN ND2 N 15 111.090 0.182 . 1 16 . . . 44 N ND2 . 17270 1 266 . 1 1 26 26 VAL H H 1 8.236 0.007 . 1 21 . . . 45 V HN . 17270 1 267 . 1 1 26 26 VAL HA H 1 4.084 0.019 . 1 10 . . . 45 V HA . 17270 1 268 . 1 1 26 26 VAL HB H 1 1.056 0.032 . 1 9 . . . 45 V HB . 17270 1 269 . 1 1 26 26 VAL HG11 H 1 0.574 0.013 . 2 14 . . . 45 V HG11 . 17270 1 270 . 1 1 26 26 VAL HG12 H 1 0.574 0.013 . 2 14 . . . 45 V HG11 . 17270 1 271 . 1 1 26 26 VAL HG13 H 1 0.574 0.013 . 2 14 . . . 45 V HG11 . 17270 1 272 . 1 1 26 26 VAL HG21 H 1 0.663 0.010 . 2 14 . . . 45 V HG21 . 17270 1 273 . 1 1 26 26 VAL HG22 H 1 0.663 0.010 . 2 14 . . . 45 V HG21 . 17270 1 274 . 1 1 26 26 VAL HG23 H 1 0.663 0.010 . 2 14 . . . 45 V HG21 . 17270 1 275 . 1 1 26 26 VAL C C 13 177.908 0.008 . 1 2 . . . 45 V C . 17270 1 276 . 1 1 26 26 VAL CA C 13 64.466 0.052 . 1 8 . . . 45 V CA . 17270 1 277 . 1 1 26 26 VAL CB C 13 32.260 0.167 . 1 5 . . . 45 V CB . 17270 1 278 . 1 1 26 26 VAL CG1 C 13 20.985 0.100 . 2 12 . . . 45 V CG1 . 17270 1 279 . 1 1 26 26 VAL CG2 C 13 20.957 0.061 . 2 10 . . . 45 V CG2 . 17270 1 280 . 1 1 26 26 VAL N N 15 117.302 0.132 . 1 19 . . . 45 V N . 17270 1 281 . 1 1 27 27 VAL H H 1 7.552 0.007 . 1 28 . . . 46 V HN . 17270 1 282 . 1 1 27 27 VAL HA H 1 3.344 0.012 . 1 11 . . . 46 V HA . 17270 1 283 . 1 1 27 27 VAL HB H 1 2.841 0.005 . 1 3 . . . 46 V HB . 17270 1 284 . 1 1 27 27 VAL HG11 H 1 0.979 0.010 . 2 18 . . . 46 V HG11 . 17270 1 285 . 1 1 27 27 VAL HG12 H 1 0.979 0.010 . 2 18 . . . 46 V HG11 . 17270 1 286 . 1 1 27 27 VAL HG13 H 1 0.979 0.010 . 2 18 . . . 46 V HG11 . 17270 1 287 . 1 1 27 27 VAL HG21 H 1 0.911 0.015 . 2 2 . . . 46 V HG21 . 17270 1 288 . 1 1 27 27 VAL HG22 H 1 0.911 0.015 . 2 2 . . . 46 V HG21 . 17270 1 289 . 1 1 27 27 VAL HG23 H 1 0.911 0.015 . 2 2 . . . 46 V HG21 . 17270 1 290 . 1 1 27 27 VAL C C 13 176.922 0.015 . 1 2 . . . 46 V C . 17270 1 291 . 1 1 27 27 VAL CA C 13 69.123 0.087 . 1 12 . . . 46 V CA . 17270 1 292 . 1 1 27 27 VAL CB C 13 30.703 0.117 . 1 3 . . . 46 V CB . 17270 1 293 . 1 1 27 27 VAL CG1 C 13 23.656 0.047 . 2 13 . . . 46 V CG1 . 17270 1 294 . 1 1 27 27 VAL CG2 C 13 22.333 0.178 . 2 4 . . . 46 V CG2 . 17270 1 295 . 1 1 27 27 VAL N N 15 120.773 0.072 . 1 24 . . . 46 V N . 17270 1 296 . 1 1 28 28 VAL H H 1 9.444 0.008 . 1 30 . . . 47 V HN . 17270 1 297 . 1 1 28 28 VAL HA H 1 3.816 0.017 . 1 11 . . . 47 V HA . 17270 1 298 . 1 1 28 28 VAL HB H 1 2.540 0.020 . 1 11 . . . 47 V HB . 17270 1 299 . 1 1 28 28 VAL HG11 H 1 1.296 0.018 . 2 15 . . . 47 V HG11 . 17270 1 300 . 1 1 28 28 VAL HG12 H 1 1.296 0.018 . 2 15 . . . 47 V HG11 . 17270 1 301 . 1 1 28 28 VAL HG13 H 1 1.296 0.018 . 2 15 . . . 47 V HG11 . 17270 1 302 . 1 1 28 28 VAL HG21 H 1 1.142 0.012 . 2 14 . . . 47 V HG21 . 17270 1 303 . 1 1 28 28 VAL HG22 H 1 1.142 0.012 . 2 14 . . . 47 V HG21 . 17270 1 304 . 1 1 28 28 VAL HG23 H 1 1.142 0.012 . 2 14 . . . 47 V HG21 . 17270 1 305 . 1 1 28 28 VAL C C 13 177.324 0.023 . 1 2 . . . 47 V C . 17270 1 306 . 1 1 28 28 VAL CA C 13 67.784 0.074 . 1 10 . . . 47 V CA . 17270 1 307 . 1 1 28 28 VAL CB C 13 30.953 0.088 . 1 8 . . . 47 V CB . 17270 1 308 . 1 1 28 28 VAL CG1 C 13 24.823 0.044 . 2 13 . . . 47 V CG1 . 17270 1 309 . 1 1 28 28 VAL CG2 C 13 22.008 0.059 . 2 12 . . . 47 V CG2 . 17270 1 310 . 1 1 28 28 VAL N N 15 118.850 0.043 . 1 25 . . . 47 V N . 17270 1 311 . 1 1 29 29 LYS H H 1 6.279 0.008 . 1 28 . . . 48 K HN . 17270 1 312 . 1 1 29 29 LYS HA H 1 4.046 0.000 . 1 2 . . . 48 K HA . 17270 1 313 . 1 1 29 29 LYS HB2 H 1 1.759 0.007 . 2 3 . . . 48 K HB2 . 17270 1 314 . 1 1 29 29 LYS HB3 H 1 1.589 0.019 . 2 5 . . . 48 K HB3 . 17270 1 315 . 1 1 29 29 LYS HD2 H 1 1.749 0.003 . 2 2 . . . 48 K HD2 . 17270 1 316 . 1 1 29 29 LYS HG2 H 1 1.407 0.011 . 2 3 . . . 48 K HG2 . 17270 1 317 . 1 1 29 29 LYS C C 13 178.414 0.014 . 1 3 . . . 48 K C . 17270 1 318 . 1 1 29 29 LYS CA C 13 59.826 0.148 . 1 5 . . . 48 K CA . 17270 1 319 . 1 1 29 29 LYS CB C 13 32.841 0.133 . 1 4 . . . 48 K CB . 17270 1 320 . 1 1 29 29 LYS CD C 13 28.975 0.030 . 1 3 . . . 48 K CD . 17270 1 321 . 1 1 29 29 LYS CG C 13 25.084 0.000 . 1 1 . . . 48 K CG . 17270 1 322 . 1 1 29 29 LYS N N 15 115.491 0.038 . 1 24 . . . 48 K N . 17270 1 323 . 1 1 30 30 THR H H 1 7.423 0.003 . 1 25 . . . 49 T HN . 17270 1 324 . 1 1 30 30 THR HA H 1 4.019 0.006 . 1 6 . . . 49 T HA . 17270 1 325 . 1 1 30 30 THR HB H 1 4.281 0.018 . 1 6 . . . 49 T HB . 17270 1 326 . 1 1 30 30 THR HG21 H 1 1.243 0.002 . 2 2 . . . 49 T HG21 . 17270 1 327 . 1 1 30 30 THR HG22 H 1 1.243 0.002 . 2 2 . . . 49 T HG21 . 17270 1 328 . 1 1 30 30 THR HG23 H 1 1.243 0.002 . 2 2 . . . 49 T HG21 . 17270 1 329 . 1 1 30 30 THR C C 13 176.686 0.000 . 1 1 . . . 49 T C . 17270 1 330 . 1 1 30 30 THR CA C 13 66.908 0.034 . 1 6 . . . 49 T CA . 17270 1 331 . 1 1 30 30 THR CB C 13 68.800 0.061 . 1 5 . . . 49 T CB . 17270 1 332 . 1 1 30 30 THR CG2 C 13 21.321 0.000 . 1 1 . . . 49 T CG2 . 17270 1 333 . 1 1 30 30 THR N N 15 112.338 0.037 . 1 23 . . . 49 T N . 17270 1 334 . 1 1 31 31 LEU H H 1 8.379 0.004 . 1 22 . . . 50 L HN . 17270 1 335 . 1 1 31 31 LEU HA H 1 4.106 0.015 . 1 6 . . . 50 L HA . 17270 1 336 . 1 1 31 31 LEU HB2 H 1 2.232 0.006 . 2 5 . . . 50 L HB2 . 17270 1 337 . 1 1 31 31 LEU HB3 H 1 1.480 0.003 . 2 4 . . . 50 L HB3 . 17270 1 338 . 1 1 31 31 LEU HD11 H 1 0.954 0.017 . 4 13 . . . 50 L HD11 . 17270 1 339 . 1 1 31 31 LEU HD12 H 1 0.954 0.017 . 4 13 . . . 50 L HD11 . 17270 1 340 . 1 1 31 31 LEU HD13 H 1 0.954 0.017 . 4 13 . . . 50 L HD11 . 17270 1 341 . 1 1 31 31 LEU HG H 1 0.990 0.008 . 1 9 . . . 50 L HG . 17270 1 342 . 1 1 31 31 LEU C C 13 178.475 0.005 . 1 2 . . . 50 L C . 17270 1 343 . 1 1 31 31 LEU CA C 13 58.558 0.120 . 1 7 . . . 50 L CA . 17270 1 344 . 1 1 31 31 LEU CB C 13 42.405 0.097 . 1 9 . . . 50 L CB . 17270 1 345 . 1 1 31 31 LEU CD1 C 13 24.428 0.105 . 2 9 . . . 50 L CD1 . 17270 1 346 . 1 1 31 31 LEU CD2 C 13 24.291 0.145 . 2 2 . . . 50 L CD2 . 17270 1 347 . 1 1 31 31 LEU CG C 13 27.233 0.124 . 1 11 . . . 50 L CG . 17270 1 348 . 1 1 31 31 LEU N N 15 121.382 0.071 . 1 20 . . . 50 L N . 17270 1 349 . 1 1 32 32 TRP H H 1 9.204 0.006 . 1 35 . . . 51 W HN . 17270 1 350 . 1 1 32 32 TRP HA H 1 3.899 0.011 . 1 10 . . . 51 W HA . 17270 1 351 . 1 1 32 32 TRP HB2 H 1 3.706 0.005 . 2 8 . . . 51 W HB2 . 17270 1 352 . 1 1 32 32 TRP HB3 H 1 3.227 0.014 . 2 9 . . . 51 W HB3 . 17270 1 353 . 1 1 32 32 TRP HD1 H 1 7.035 0.005 . 1 11 . . . 51 W HD1 . 17270 1 354 . 1 1 32 32 TRP HE1 H 1 9.779 0.004 . 1 5 . . . 51 W HE1 . 17270 1 355 . 1 1 32 32 TRP HE3 H 1 7.436 0.019 . 1 14 . . . 51 W HE3 . 17270 1 356 . 1 1 32 32 TRP HH2 H 1 7.141 0.002 . 1 8 . . . 51 W HH2 . 17270 1 357 . 1 1 32 32 TRP HZ2 H 1 6.965 0.003 . 1 7 . . . 51 W HZ2 . 17270 1 358 . 1 1 32 32 TRP HZ3 H 1 6.783 0.016 . 1 15 . . . 51 W HZ3 . 17270 1 359 . 1 1 32 32 TRP C C 13 177.083 0.018 . 1 2 . . . 51 W C . 17270 1 360 . 1 1 32 32 TRP CA C 13 60.806 0.054 . 1 6 . . . 51 W CA . 17270 1 361 . 1 1 32 32 TRP CB C 13 28.563 0.053 . 1 3 . . . 51 W CB . 17270 1 362 . 1 1 32 32 TRP CD1 C 13 127.281 0.051 . 1 8 . . . 51 W CD1 . 17270 1 363 . 1 1 32 32 TRP CE3 C 13 118.754 0.110 . 1 8 . . . 51 W CE3 . 17270 1 364 . 1 1 32 32 TRP CH2 C 13 123.695 0.133 . 1 5 . . . 51 W CH2 . 17270 1 365 . 1 1 32 32 TRP CZ2 C 13 115.081 0.069 . 1 6 . . . 51 W CZ2 . 17270 1 366 . 1 1 32 32 TRP CZ3 C 13 120.971 0.063 . 1 8 . . . 51 W CZ3 . 17270 1 367 . 1 1 32 32 TRP N N 15 117.011 0.060 . 1 31 . . . 51 W N . 17270 1 368 . 1 1 32 32 TRP NE1 N 15 131.070 0.082 . 1 5 . . . 51 W NE1 . 17270 1 369 . 1 1 33 33 LYS H H 1 7.082 0.003 . 1 20 . . . 52 K HN . 17270 1 370 . 1 1 33 33 LYS HA H 1 4.485 0.004 . 1 15 . . . 52 K HA . 17270 1 371 . 1 1 33 33 LYS HB2 H 1 2.042 0.024 . 2 9 . . . 52 K HB2 . 17270 1 372 . 1 1 33 33 LYS HD2 H 1 3.085 0.001 . 2 6 . . . 52 K HD2 . 17270 1 373 . 1 1 33 33 LYS HE2 H 1 3.085 0.002 . 2 7 . . . 52 K HE2 . 17270 1 374 . 1 1 33 33 LYS HG2 H 1 1.706 0.009 . 2 7 . . . 52 K HG2 . 17270 1 375 . 1 1 33 33 LYS HG3 H 1 1.799 0.014 . 2 14 . . . 52 K HG3 . 17270 1 376 . 1 1 33 33 LYS C C 13 176.506 0.009 . 1 2 . . . 52 K C . 17270 1 377 . 1 1 33 33 LYS CA C 13 55.922 0.079 . 1 11 . . . 52 K CA . 17270 1 378 . 1 1 33 33 LYS CB C 13 33.031 0.084 . 1 9 . . . 52 K CB . 17270 1 379 . 1 1 33 33 LYS CD C 13 29.355 0.074 . 1 11 . . . 52 K CD . 17270 1 380 . 1 1 33 33 LYS CE C 13 41.988 0.080 . 1 10 . . . 52 K CE . 17270 1 381 . 1 1 33 33 LYS CG C 13 24.659 0.073 . 1 17 . . . 52 K CG . 17270 1 382 . 1 1 33 33 LYS N N 15 110.853 0.039 . 1 19 . . . 52 K N . 17270 1 383 . 1 1 34 34 HIS H H 1 7.855 0.003 . 1 27 . . . 53 H HN . 17270 1 384 . 1 1 34 34 HIS HA H 1 4.117 0.008 . 1 7 . . . 53 H HA . 17270 1 385 . 1 1 34 34 HIS HB2 H 1 3.137 0.012 . 2 8 . . . 53 H HB2 . 17270 1 386 . 1 1 34 34 HIS HD2 H 1 7.047 0.005 . 1 9 . . . 53 H HD2 . 17270 1 387 . 1 1 34 34 HIS HE1 H 1 6.926 0.005 . 1 11 . . . 53 H HE1 . 17270 1 388 . 1 1 34 34 HIS C C 13 177.241 0.009 . 1 2 . . . 53 H C . 17270 1 389 . 1 1 34 34 HIS CA C 13 59.180 0.039 . 1 3 . . . 53 H CA . 17270 1 390 . 1 1 34 34 HIS CB C 13 32.213 0.080 . 1 5 . . . 53 H CB . 17270 1 391 . 1 1 34 34 HIS CD2 C 13 117.945 0.122 . 1 6 . . . 53 H CD2 . 17270 1 392 . 1 1 34 34 HIS CE1 C 13 137.061 0.034 . 1 9 . . . 53 H CE1 . 17270 1 393 . 1 1 34 34 HIS N N 15 123.689 0.028 . 1 25 . . . 53 H N . 17270 1 394 . 1 1 34 34 HIS ND1 N 15 255.789 0.000 . 1 1 . . . 53 H ND1 . 17270 1 395 . 1 1 34 34 HIS NE2 N 15 164.402 0.020 . 1 2 . . . 53 H NE2 . 17270 1 396 . 1 1 35 35 GLN H H 1 8.538 0.005 . 1 20 . . . 54 Q HN . 17270 1 397 . 1 1 35 35 GLN HA H 1 4.246 0.002 . 1 8 . . . 54 Q HA . 17270 1 398 . 1 1 35 35 GLN HB2 H 1 2.323 0.016 . 2 7 . . . 54 Q HB2 . 17270 1 399 . 1 1 35 35 GLN HE21 H 1 6.868 0.004 . 2 8 . . . 54 Q HE21 . 17270 1 400 . 1 1 35 35 GLN HE22 H 1 6.496 0.002 . 2 7 . . . 54 Q HE22 . 17270 1 401 . 1 1 35 35 GLN HG2 H 1 2.574 0.004 . 2 4 . . . 54 Q HG2 . 17270 1 402 . 1 1 35 35 GLN C C 13 177.013 0.000 . 1 1 . . . 54 Q C . 17270 1 403 . 1 1 35 35 GLN CA C 13 58.933 0.094 . 1 13 . . . 54 Q CA . 17270 1 404 . 1 1 35 35 GLN CB C 13 28.132 0.122 . 1 9 . . . 54 Q CB . 17270 1 405 . 1 1 35 35 GLN CG C 13 33.923 0.067 . 1 6 . . . 54 Q CG . 17270 1 406 . 1 1 35 35 GLN N N 15 128.287 0.048 . 1 18 . . . 54 Q N . 17270 1 407 . 1 1 35 35 GLN NE2 N 15 109.250 0.078 . 1 13 . . . 54 Q NE2 . 17270 1 408 . 1 1 36 36 PHE HA H 1 5.253 0.009 . 1 20 . . . 55 F HA . 17270 1 409 . 1 1 36 36 PHE HB2 H 1 3.713 0.017 . 2 3 . . . 55 F HB2 . 17270 1 410 . 1 1 36 36 PHE HB3 H 1 3.323 0.015 . 2 6 . . . 55 F HB3 . 17270 1 411 . 1 1 36 36 PHE HD1 H 1 7.405 0.013 . 3 5 . . . 55 F HD1 . 17270 1 412 . 1 1 36 36 PHE HD2 H 1 7.355 0.029 . 3 8 . . . 55 F HD2 . 17270 1 413 . 1 1 36 36 PHE HE1 H 1 7.546 0.018 . 3 8 . . . 55 F HE1 . 17270 1 414 . 1 1 36 36 PHE C C 13 174.614 0.000 . 1 1 . . . 55 F C . 17270 1 415 . 1 1 36 36 PHE CA C 13 52.732 0.056 . 1 8 . . . 55 F CA . 17270 1 416 . 1 1 36 36 PHE CB C 13 37.507 0.040 . 1 3 . . . 55 F CB . 17270 1 417 . 1 1 36 36 PHE CD1 C 13 130.297 0.000 . 3 1 . . . 55 F CD1 . 17270 1 418 . 1 1 36 36 PHE CD2 C 13 130.374 0.062 . 3 4 . . . 55 F CD2 . 17270 1 419 . 1 1 36 36 PHE CE1 C 13 132.123 0.114 . 3 6 . . . 55 F CE1 . 17270 1 420 . 1 1 36 36 PHE CE2 C 13 132.068 0.000 . 3 1 . . . 55 F CE2 . 17270 1 421 . 1 1 37 37 ALA H H 1 7.850 0.005 . 1 27 . . . 56 A HN . 17270 1 422 . 1 1 37 37 ALA HA H 1 4.195 0.008 . 1 5 . . . 56 A HA . 17270 1 423 . 1 1 37 37 ALA HB1 H 1 1.615 0.007 . 1 10 . . . 56 A HB1 . 17270 1 424 . 1 1 37 37 ALA HB2 H 1 1.615 0.007 . 1 10 . . . 56 A HB1 . 17270 1 425 . 1 1 37 37 ALA HB3 H 1 1.615 0.007 . 1 10 . . . 56 A HB1 . 17270 1 426 . 1 1 37 37 ALA C C 13 177.835 0.008 . 1 3 . . . 56 A C . 17270 1 427 . 1 1 37 37 ALA CA C 13 54.224 0.017 . 1 3 . . . 56 A CA . 17270 1 428 . 1 1 37 37 ALA CB C 13 21.097 0.059 . 1 7 . . . 56 A CB . 17270 1 429 . 1 1 37 37 ALA N N 15 117.328 0.046 . 1 26 . . . 56 A N . 17270 1 430 . 1 1 38 38 TRP H H 1 7.044 0.003 . 1 30 . . . 57 W HN . 17270 1 431 . 1 1 38 38 TRP HB2 H 1 2.880 0.013 . 2 8 . . . 57 W HB2 . 17270 1 432 . 1 1 38 38 TRP HB3 H 1 3.211 0.005 . 2 7 . . . 57 W HB3 . 17270 1 433 . 1 1 38 38 TRP HD1 H 1 7.673 0.017 . 1 13 . . . 57 W HD1 . 17270 1 434 . 1 1 38 38 TRP HE1 H 1 10.639 0.003 . 1 6 . . . 57 W HE1 . 17270 1 435 . 1 1 38 38 TRP HE3 H 1 7.221 0.006 . 1 6 . . . 57 W HE3 . 17270 1 436 . 1 1 38 38 TRP HH2 H 1 7.126 0.014 . 1 14 . . . 57 W HH2 . 17270 1 437 . 1 1 38 38 TRP HZ2 H 1 7.563 0.005 . 1 7 . . . 57 W HZ2 . 17270 1 438 . 1 1 38 38 TRP HZ3 H 1 6.956 0.005 . 1 6 . . . 57 W HZ3 . 17270 1 439 . 1 1 38 38 TRP C C 13 175.700 0.000 . 1 1 . . . 57 W C . 17270 1 440 . 1 1 38 38 TRP CA C 13 58.592 0.048 . 1 3 . . . 57 W CA . 17270 1 441 . 1 1 38 38 TRP CB C 13 27.226 0.047 . 1 7 . . . 57 W CB . 17270 1 442 . 1 1 38 38 TRP CD1 C 13 127.734 0.058 . 1 8 . . . 57 W CD1 . 17270 1 443 . 1 1 38 38 TRP CE3 C 13 121.115 0.184 . 1 6 . . . 57 W CE3 . 17270 1 444 . 1 1 38 38 TRP CH2 C 13 124.718 0.139 . 1 12 . . . 57 W CH2 . 17270 1 445 . 1 1 38 38 TRP CZ2 C 13 114.450 0.041 . 1 5 . . . 57 W CZ2 . 17270 1 446 . 1 1 38 38 TRP CZ3 C 13 121.573 0.343 . 1 3 . . . 57 W CZ3 . 17270 1 447 . 1 1 38 38 TRP N N 15 116.090 0.034 . 1 28 . . . 57 W N . 17270 1 448 . 1 1 38 38 TRP NE1 N 15 130.953 0.040 . 1 5 . . . 57 W NE1 . 17270 1 449 . 1 1 39 39 PRO HA H 1 3.760 0.012 . 1 12 . . . 58 P HA . 17270 1 450 . 1 1 39 39 PRO HB2 H 1 1.607 0.022 . 2 9 . . . 58 P HB2 . 17270 1 451 . 1 1 39 39 PRO HG2 H 1 1.360 0.005 . 2 2 . . . 58 P HG2 . 17270 1 452 . 1 1 39 39 PRO C C 13 176.596 0.000 . 1 1 . . . 58 P C . 17270 1 453 . 1 1 39 39 PRO CA C 13 64.400 0.175 . 1 10 . . . 58 P CA . 17270 1 454 . 1 1 39 39 PRO CB C 13 30.930 0.139 . 1 10 . . . 58 P CB . 17270 1 455 . 1 1 39 39 PRO CG C 13 26.527 0.000 . 1 1 . . . 58 P CG . 17270 1 456 . 1 1 40 40 PHE H H 1 8.148 0.006 . 1 21 . . . 59 F HN . 17270 1 457 . 1 1 40 40 PHE HA H 1 4.686 0.001 . 1 3 . . . 59 F HA . 17270 1 458 . 1 1 40 40 PHE HB2 H 1 3.657 0.022 . 2 7 . . . 59 F HB2 . 17270 1 459 . 1 1 40 40 PHE HB3 H 1 2.757 0.019 . 2 4 . . . 59 F HB3 . 17270 1 460 . 1 1 40 40 PHE HD1 H 1 7.245 0.000 . 3 1 . . . 59 F HD1 . 17270 1 461 . 1 1 40 40 PHE HD2 H 1 7.235 0.017 . 3 2 . . . 59 F HD2 . 17270 1 462 . 1 1 40 40 PHE HE1 H 1 7.061 0.017 . 3 5 . . . 59 F HE1 . 17270 1 463 . 1 1 40 40 PHE C C 13 175.905 0.003 . 1 2 . . . 59 F C . 17270 1 464 . 1 1 40 40 PHE CA C 13 56.868 0.074 . 1 3 . . . 59 F CA . 17270 1 465 . 1 1 40 40 PHE CB C 13 38.470 0.037 . 1 5 . . . 59 F CB . 17270 1 466 . 1 1 40 40 PHE CD2 C 13 132.444 0.000 . 3 1 . . . 59 F CD2 . 17270 1 467 . 1 1 40 40 PHE CE1 C 13 129.690 0.019 . 3 3 . . . 59 F CE1 . 17270 1 468 . 1 1 40 40 PHE CE2 C 13 129.703 0.000 . 3 1 . . . 59 F CE2 . 17270 1 469 . 1 1 40 40 PHE N N 15 112.296 0.037 . 1 18 . . . 59 F N . 17270 1 470 . 1 1 41 41 TYR H H 1 7.196 0.005 . 1 18 . . . 60 Y HN . 17270 1 471 . 1 1 41 41 TYR HA H 1 4.201 0.014 . 1 6 . . . 60 Y HA . 17270 1 472 . 1 1 41 41 TYR HB2 H 1 3.258 0.006 . 2 3 . . . 60 Y HB2 . 17270 1 473 . 1 1 41 41 TYR HB3 H 1 3.181 0.026 . 2 2 . . . 60 Y HB3 . 17270 1 474 . 1 1 41 41 TYR HD1 H 1 6.238 0.012 . 3 9 . . . 60 Y HD1 . 17270 1 475 . 1 1 41 41 TYR HE1 H 1 6.167 0.012 . 3 13 . . . 60 Y HE1 . 17270 1 476 . 1 1 41 41 TYR C C 13 174.314 0.023 . 1 2 . . . 60 Y C . 17270 1 477 . 1 1 41 41 TYR CA C 13 56.454 0.152 . 1 4 . . . 60 Y CA . 17270 1 478 . 1 1 41 41 TYR CB C 13 37.451 0.039 . 1 3 . . . 60 Y CB . 17270 1 479 . 1 1 41 41 TYR CD1 C 13 129.874 0.000 . 3 1 . . . 60 Y CD1 . 17270 1 480 . 1 1 41 41 TYR CE1 C 13 117.084 0.073 . 3 5 . . . 60 Y CE1 . 17270 1 481 . 1 1 41 41 TYR CE2 C 13 117.074 0.000 . 3 1 . . . 60 Y CE2 . 17270 1 482 . 1 1 41 41 TYR N N 15 118.194 0.042 . 1 17 . . . 60 Y N . 17270 1 483 . 1 1 42 42 GLN H H 1 7.427 0.003 . 1 21 . . . 61 Q HN . 17270 1 484 . 1 1 42 42 GLN HA H 1 5.028 0.017 . 1 12 . . . 61 Q HA . 17270 1 485 . 1 1 42 42 GLN HB2 H 1 1.947 0.013 . 2 4 . . . 61 Q HB2 . 17270 1 486 . 1 1 42 42 GLN HB3 H 1 2.188 0.002 . 2 2 . . . 61 Q HB3 . 17270 1 487 . 1 1 42 42 GLN HE21 H 1 7.482 0.000 . 2 4 . . . 61 Q HE21 . 17270 1 488 . 1 1 42 42 GLN HE22 H 1 6.838 0.012 . 2 3 . . . 61 Q HE22 . 17270 1 489 . 1 1 42 42 GLN HG2 H 1 2.279 0.024 . 2 7 . . . 61 Q HG2 . 17270 1 490 . 1 1 42 42 GLN C C 13 171.952 0.000 . 1 1 . . . 61 Q C . 17270 1 491 . 1 1 42 42 GLN CA C 13 52.850 0.034 . 1 13 . . . 61 Q CA . 17270 1 492 . 1 1 42 42 GLN CB C 13 29.618 0.056 . 1 9 . . . 61 Q CB . 17270 1 493 . 1 1 42 42 GLN CG C 13 33.044 0.038 . 1 7 . . . 61 Q CG . 17270 1 494 . 1 1 42 42 GLN N N 15 112.778 0.030 . 1 20 . . . 61 Q N . 17270 1 495 . 1 1 42 42 GLN NE2 N 15 111.495 0.045 . 1 6 . . . 61 Q NE2 . 17270 1 496 . 1 1 43 43 PRO HA H 1 4.159 0.006 . 1 10 . . . 62 P HA . 17270 1 497 . 1 1 43 43 PRO HB2 H 1 1.573 0.022 . 2 5 . . . 62 P HB2 . 17270 1 498 . 1 1 43 43 PRO HB3 H 1 2.295 0.019 . 2 5 . . . 62 P HB3 . 17270 1 499 . 1 1 43 43 PRO HD2 H 1 3.550 0.044 . 2 2 . . . 62 P HD2 . 17270 1 500 . 1 1 43 43 PRO HD3 H 1 3.914 0.000 . 2 1 . . . 62 P HD3 . 17270 1 501 . 1 1 43 43 PRO HG2 H 1 1.930 0.001 . 2 3 . . . 62 P HG2 . 17270 1 502 . 1 1 43 43 PRO C C 13 177.136 0.022 . 1 2 . . . 62 P C . 17270 1 503 . 1 1 43 43 PRO CA C 13 62.666 0.281 . 1 12 . . . 62 P CA . 17270 1 504 . 1 1 43 43 PRO CB C 13 32.123 0.114 . 1 4 . . . 62 P CB . 17270 1 505 . 1 1 43 43 PRO CG C 13 27.070 0.038 . 1 3 . . . 62 P CG . 17270 1 506 . 1 1 44 44 VAL H H 1 8.603 0.004 . 1 27 . . . 63 V HN . 17270 1 507 . 1 1 44 44 VAL HA H 1 3.252 0.006 . 1 17 . . . 63 V HA . 17270 1 508 . 1 1 44 44 VAL HB H 1 1.270 0.015 . 1 12 . . . 63 V HB . 17270 1 509 . 1 1 44 44 VAL HG11 H 1 0.732 0.013 . 2 13 . . . 63 V HG11 . 17270 1 510 . 1 1 44 44 VAL HG12 H 1 0.732 0.013 . 2 13 . . . 63 V HG11 . 17270 1 511 . 1 1 44 44 VAL HG13 H 1 0.732 0.013 . 2 13 . . . 63 V HG11 . 17270 1 512 . 1 1 44 44 VAL HG21 H 1 -0.357 0.019 . 2 27 . . . 63 V HG21 . 17270 1 513 . 1 1 44 44 VAL HG22 H 1 -0.357 0.019 . 2 27 . . . 63 V HG21 . 17270 1 514 . 1 1 44 44 VAL HG23 H 1 -0.357 0.019 . 2 27 . . . 63 V HG21 . 17270 1 515 . 1 1 44 44 VAL C C 13 175.709 0.003 . 1 2 . . . 63 V C . 17270 1 516 . 1 1 44 44 VAL CA C 13 64.623 0.039 . 1 17 . . . 63 V CA . 17270 1 517 . 1 1 44 44 VAL CB C 13 32.168 0.080 . 1 13 . . . 63 V CB . 17270 1 518 . 1 1 44 44 VAL CG1 C 13 22.336 0.059 . 2 12 . . . 63 V CG1 . 17270 1 519 . 1 1 44 44 VAL CG2 C 13 19.792 0.067 . 2 19 . . . 63 V CG2 . 17270 1 520 . 1 1 44 44 VAL N N 15 125.344 0.045 . 1 26 . . . 63 V N . 17270 1 521 . 1 1 45 45 ASP H H 1 8.082 0.021 . 1 19 . . . 64 D HN . 17270 1 522 . 1 1 45 45 ASP HA H 1 4.678 0.014 . 1 14 . . . 64 D HA . 17270 1 523 . 1 1 45 45 ASP HB2 H 1 2.974 0.007 . 2 6 . . . 64 D HB2 . 17270 1 524 . 1 1 45 45 ASP HB3 H 1 2.434 0.017 . 2 11 . . . 64 D HB3 . 17270 1 525 . 1 1 45 45 ASP CA C 13 51.776 0.027 . 1 10 . . . 64 D CA . 17270 1 526 . 1 1 45 45 ASP CB C 13 40.228 0.064 . 1 7 . . . 64 D CB . 17270 1 527 . 1 1 45 45 ASP N N 15 129.611 0.051 . 1 17 . . . 64 D N . 17270 1 528 . 1 1 46 46 ALA H H 1 8.671 0.032 . 1 10 . . . 65 A HN . 17270 1 529 . 1 1 46 46 ALA HA H 1 3.605 0.014 . 1 13 . . . 65 A HA . 17270 1 530 . 1 1 46 46 ALA HB1 H 1 1.545 0.012 . 1 14 . . . 65 A HB1 . 17270 1 531 . 1 1 46 46 ALA HB2 H 1 1.545 0.012 . 1 14 . . . 65 A HB1 . 17270 1 532 . 1 1 46 46 ALA HB3 H 1 1.545 0.012 . 1 14 . . . 65 A HB1 . 17270 1 533 . 1 1 46 46 ALA C C 13 179.067 0.000 . 1 1 . . . 65 A C . 17270 1 534 . 1 1 46 46 ALA CA C 13 54.434 0.044 . 1 7 . . . 65 A CA . 17270 1 535 . 1 1 46 46 ALA CB C 13 19.316 0.064 . 1 9 . . . 65 A CB . 17270 1 536 . 1 1 46 46 ALA N N 15 125.517 0.063 . 1 8 . . . 65 A N . 17270 1 537 . 1 1 47 47 ILE H H 1 7.988 0.004 . 1 28 . . . 66 I HN . 17270 1 538 . 1 1 47 47 ILE HA H 1 3.971 0.005 . 1 12 . . . 66 I HA . 17270 1 539 . 1 1 47 47 ILE HB H 1 2.108 0.019 . 1 11 . . . 66 I HB . 17270 1 540 . 1 1 47 47 ILE HD11 H 1 0.877 0.000 . 2 1 . . . 66 I HD11 . 17270 1 541 . 1 1 47 47 ILE HD12 H 1 0.877 0.000 . 2 1 . . . 66 I HD11 . 17270 1 542 . 1 1 47 47 ILE HD13 H 1 0.877 0.000 . 2 1 . . . 66 I HD11 . 17270 1 543 . 1 1 47 47 ILE HG12 H 1 1.304 0.008 . 2 14 . . . 66 I HG12 . 17270 1 544 . 1 1 47 47 ILE HG13 H 1 1.608 0.005 . 2 6 . . . 66 I HG13 . 17270 1 545 . 1 1 47 47 ILE HG21 H 1 0.887 0.004 . 2 16 . . . 66 I HG21 . 17270 1 546 . 1 1 47 47 ILE HG22 H 1 0.887 0.004 . 2 16 . . . 66 I HG21 . 17270 1 547 . 1 1 47 47 ILE HG23 H 1 0.887 0.004 . 2 16 . . . 66 I HG21 . 17270 1 548 . 1 1 47 47 ILE C C 13 179.199 0.024 . 1 2 . . . 66 I C . 17270 1 549 . 1 1 47 47 ILE CA C 13 63.151 0.038 . 1 13 . . . 66 I CA . 17270 1 550 . 1 1 47 47 ILE CB C 13 36.689 0.069 . 1 8 . . . 66 I CB . 17270 1 551 . 1 1 47 47 ILE CD1 C 13 11.440 0.000 . 1 1 . . . 66 I CD1 . 17270 1 552 . 1 1 47 47 ILE CG1 C 13 28.061 0.051 . 1 17 . . . 66 I CG1 . 17270 1 553 . 1 1 47 47 ILE CG2 C 13 16.923 0.040 . 1 18 . . . 66 I CG2 . 17270 1 554 . 1 1 47 47 ILE N N 15 118.670 0.044 . 1 27 . . . 66 I N . 17270 1 555 . 1 1 48 48 LYS H H 1 7.926 0.005 . 1 27 . . . 67 K HN . 17270 1 556 . 1 1 48 48 LYS HA H 1 3.940 0.006 . 1 14 . . . 67 K HA . 17270 1 557 . 1 1 48 48 LYS HB2 H 1 1.742 0.020 . 2 13 . . . 67 K HB2 . 17270 1 558 . 1 1 48 48 LYS HB3 H 1 1.634 0.002 . 2 2 . . . 67 K HB3 . 17270 1 559 . 1 1 48 48 LYS HD2 H 1 1.386 0.016 . 2 4 . . . 67 K HD2 . 17270 1 560 . 1 1 48 48 LYS HE2 H 1 2.987 0.003 . 2 2 . . . 67 K HE2 . 17270 1 561 . 1 1 48 48 LYS HG2 H 1 1.474 0.003 . 2 3 . . . 67 K HG2 . 17270 1 562 . 1 1 48 48 LYS C C 13 178.652 0.038 . 1 3 . . . 67 K C . 17270 1 563 . 1 1 48 48 LYS CA C 13 58.976 0.086 . 1 17 . . . 67 K CA . 17270 1 564 . 1 1 48 48 LYS CB C 13 32.622 0.102 . 1 9 . . . 67 K CB . 17270 1 565 . 1 1 48 48 LYS CD C 13 29.216 0.103 . 1 4 . . . 67 K CD . 17270 1 566 . 1 1 48 48 LYS CE C 13 41.812 0.088 . 1 2 . . . 67 K CE . 17270 1 567 . 1 1 48 48 LYS CG C 13 25.108 0.053 . 1 5 . . . 67 K CG . 17270 1 568 . 1 1 48 48 LYS N N 15 123.482 0.056 . 1 26 . . . 67 K N . 17270 1 569 . 1 1 49 49 LEU H H 1 7.844 0.009 . 1 29 . . . 68 L HN . 17270 1 570 . 1 1 49 49 LEU HA H 1 4.256 0.004 . 1 10 . . . 68 L HA . 17270 1 571 . 1 1 49 49 LEU HB2 H 1 1.502 0.014 . 2 10 . . . 68 L HB2 . 17270 1 572 . 1 1 49 49 LEU HD11 H 1 0.847 0.012 . 2 14 . . . 68 L HD11 . 17270 1 573 . 1 1 49 49 LEU HD12 H 1 0.847 0.012 . 2 14 . . . 68 L HD11 . 17270 1 574 . 1 1 49 49 LEU HD13 H 1 0.847 0.012 . 2 14 . . . 68 L HD11 . 17270 1 575 . 1 1 49 49 LEU HD21 H 1 0.768 0.006 . 2 6 . . . 68 L HD21 . 17270 1 576 . 1 1 49 49 LEU HD22 H 1 0.768 0.006 . 2 6 . . . 68 L HD21 . 17270 1 577 . 1 1 49 49 LEU HD23 H 1 0.768 0.006 . 2 6 . . . 68 L HD21 . 17270 1 578 . 1 1 49 49 LEU HG H 1 0.776 0.035 . 1 10 . . . 68 L HG . 17270 1 579 . 1 1 49 49 LEU C C 13 175.835 0.036 . 1 2 . . . 68 L C . 17270 1 580 . 1 1 49 49 LEU CA C 13 54.573 0.057 . 1 10 . . . 68 L CA . 17270 1 581 . 1 1 49 49 LEU CB C 13 42.072 0.088 . 1 8 . . . 68 L CB . 17270 1 582 . 1 1 49 49 LEU CD1 C 13 22.431 0.107 . 2 13 . . . 68 L CD1 . 17270 1 583 . 1 1 49 49 LEU CD2 C 13 27.220 0.199 . 2 6 . . . 68 L CD2 . 17270 1 584 . 1 1 49 49 LEU CG C 13 25.885 0.101 . 1 11 . . . 68 L CG . 17270 1 585 . 1 1 49 49 LEU N N 15 113.762 0.056 . 1 27 . . . 68 L N . 17270 1 586 . 1 1 50 50 ASN H H 1 7.467 0.010 . 1 30 . . . 69 N HN . 17270 1 587 . 1 1 50 50 ASN HA H 1 4.249 0.002 . 1 6 . . . 69 N HA . 17270 1 588 . 1 1 50 50 ASN HB2 H 1 3.285 0.008 . 2 9 . . . 69 N HB2 . 17270 1 589 . 1 1 50 50 ASN HB3 H 1 2.634 0.010 . 2 8 . . . 69 N HB3 . 17270 1 590 . 1 1 50 50 ASN HD21 H 1 7.583 0.002 . 2 5 . . . 69 N HD21 . 17270 1 591 . 1 1 50 50 ASN HD22 H 1 6.744 0.001 . 2 3 . . . 69 N HD22 . 17270 1 592 . 1 1 50 50 ASN C C 13 172.831 0.014 . 1 2 . . . 69 N C . 17270 1 593 . 1 1 50 50 ASN CA C 13 53.813 0.043 . 1 7 . . . 69 N CA . 17270 1 594 . 1 1 50 50 ASN CB C 13 36.516 0.053 . 1 5 . . . 69 N CB . 17270 1 595 . 1 1 50 50 ASN N N 15 116.741 0.050 . 1 28 . . . 69 N N . 17270 1 596 . 1 1 50 50 ASN ND2 N 15 111.262 0.180 . 1 7 . . . 69 N ND2 . 17270 1 597 . 1 1 51 51 LEU H H 1 8.440 0.003 . 1 26 . . . 70 L HN . 17270 1 598 . 1 1 51 51 LEU HA H 1 5.134 0.014 . 1 28 . . . 70 L HA . 17270 1 599 . 1 1 51 51 LEU HB2 H 1 1.750 0.016 . 2 7 . . . 70 L HB2 . 17270 1 600 . 1 1 51 51 LEU HB3 H 1 1.637 0.024 . 2 5 . . . 70 L HB3 . 17270 1 601 . 1 1 51 51 LEU HD11 H 1 0.492 0.019 . 2 24 . . . 70 L HD11 . 17270 1 602 . 1 1 51 51 LEU HD12 H 1 0.492 0.019 . 2 24 . . . 70 L HD11 . 17270 1 603 . 1 1 51 51 LEU HD13 H 1 0.492 0.019 . 2 24 . . . 70 L HD11 . 17270 1 604 . 1 1 51 51 LEU HD21 H 1 0.933 0.021 . 2 13 . . . 70 L HD21 . 17270 1 605 . 1 1 51 51 LEU HD22 H 1 0.933 0.021 . 2 13 . . . 70 L HD21 . 17270 1 606 . 1 1 51 51 LEU HD23 H 1 0.933 0.021 . 2 13 . . . 70 L HD21 . 17270 1 607 . 1 1 51 51 LEU HG H 1 1.361 0.010 . 1 6 . . . 70 L HG . 17270 1 608 . 1 1 51 51 LEU C C 13 172.853 0.000 . 1 1 . . . 70 L C . 17270 1 609 . 1 1 51 51 LEU CA C 13 50.882 0.040 . 1 22 . . . 70 L CA . 17270 1 610 . 1 1 51 51 LEU CB C 13 41.984 0.157 . 1 11 . . . 70 L CB . 17270 1 611 . 1 1 51 51 LEU CD1 C 13 26.890 0.068 . 2 20 . . . 70 L CD1 . 17270 1 612 . 1 1 51 51 LEU CD2 C 13 22.451 0.055 . 2 14 . . . 70 L CD2 . 17270 1 613 . 1 1 51 51 LEU CG C 13 25.258 0.174 . 1 8 . . . 70 L CG . 17270 1 614 . 1 1 51 51 LEU N N 15 117.752 0.141 . 1 24 . . . 70 L N . 17270 1 615 . 1 1 52 52 PRO HA H 1 4.468 0.012 . 1 10 . . . 71 P HA . 17270 1 616 . 1 1 52 52 PRO HB2 H 1 2.041 0.004 . 2 2 . . . 71 P HB2 . 17270 1 617 . 1 1 52 52 PRO HB3 H 1 2.354 0.005 . 2 4 . . . 71 P HB3 . 17270 1 618 . 1 1 52 52 PRO HD2 H 1 3.906 0.004 . 2 6 . . . 71 P HD2 . 17270 1 619 . 1 1 52 52 PRO HG2 H 1 2.069 0.005 . 2 4 . . . 71 P HG2 . 17270 1 620 . 1 1 52 52 PRO C C 13 177.322 0.000 . 1 1 . . . 71 P C . 17270 1 621 . 1 1 52 52 PRO CA C 13 65.033 0.096 . 1 14 . . . 71 P CA . 17270 1 622 . 1 1 52 52 PRO CB C 13 31.673 0.130 . 1 6 . . . 71 P CB . 17270 1 623 . 1 1 52 52 PRO CD C 13 50.722 0.044 . 1 8 . . . 71 P CD . 17270 1 624 . 1 1 52 52 PRO CG C 13 27.404 0.084 . 1 5 . . . 71 P CG . 17270 1 625 . 1 1 53 53 ASP H H 1 8.694 0.006 . 1 16 . . . 72 D HN . 17270 1 626 . 1 1 53 53 ASP HA H 1 4.635 0.019 . 1 13 . . . 72 D HA . 17270 1 627 . 1 1 53 53 ASP HB2 H 1 2.790 0.017 . 2 7 . . . 72 D HB2 . 17270 1 628 . 1 1 53 53 ASP HB3 H 1 3.057 0.011 . 2 4 . . . 72 D HB3 . 17270 1 629 . 1 1 53 53 ASP C C 13 177.538 0.000 . 1 1 . . . 72 D C . 17270 1 630 . 1 1 53 53 ASP CA C 13 53.142 0.121 . 1 11 . . . 72 D CA . 17270 1 631 . 1 1 53 53 ASP CB C 13 40.545 0.089 . 1 6 . . . 72 D CB . 17270 1 632 . 1 1 53 53 ASP N N 15 116.030 0.032 . 1 15 . . . 72 D N . 17270 1 633 . 1 1 54 54 TYR H H 1 7.755 0.008 . 1 21 . . . 73 Y HN . 17270 1 634 . 1 1 54 54 TYR HA H 1 3.544 0.024 . 1 14 . . . 73 Y HA . 17270 1 635 . 1 1 54 54 TYR HB2 H 1 2.697 0.028 . 2 3 . . . 73 Y HB2 . 17270 1 636 . 1 1 54 54 TYR HB3 H 1 2.370 0.015 . 2 7 . . . 73 Y HB3 . 17270 1 637 . 1 1 54 54 TYR HD1 H 1 6.677 0.000 . 3 1 . . . 73 Y HD1 . 17270 1 638 . 1 1 54 54 TYR HE1 H 1 6.046 0.020 . 3 18 . . . 73 Y HE1 . 17270 1 639 . 1 1 54 54 TYR C C 13 176.358 0.007 . 1 2 . . . 73 Y C . 17270 1 640 . 1 1 54 54 TYR CA C 13 63.999 0.072 . 1 8 . . . 73 Y CA . 17270 1 641 . 1 1 54 54 TYR CB C 13 39.199 0.078 . 1 4 . . . 73 Y CB . 17270 1 642 . 1 1 54 54 TYR CD1 C 13 132.905 0.000 . 3 1 . . . 73 Y CD1 . 17270 1 643 . 1 1 54 54 TYR CE1 C 13 116.672 0.063 . 3 7 . . . 73 Y CE1 . 17270 1 644 . 1 1 54 54 TYR CE2 C 13 116.602 0.000 . 3 1 . . . 73 Y CE2 . 17270 1 645 . 1 1 54 54 TYR N N 15 123.934 0.037 . 1 18 . . . 73 Y N . 17270 1 646 . 1 1 55 55 HIS H H 1 8.468 0.037 . 1 20 . . . 74 H HN . 17270 1 647 . 1 1 55 55 HIS HA H 1 4.513 0.014 . 1 9 . . . 74 H HA . 17270 1 648 . 1 1 55 55 HIS HB2 H 1 3.348 0.018 . 2 10 . . . 74 H HB2 . 17270 1 649 . 1 1 55 55 HIS HB3 H 1 2.920 0.019 . 2 4 . . . 74 H HB3 . 17270 1 650 . 1 1 55 55 HIS HD2 H 1 7.159 0.017 . 1 4 . . . 74 H HD2 . 17270 1 651 . 1 1 55 55 HIS HE1 H 1 7.989 0.014 . 1 6 . . . 74 H HE1 . 17270 1 652 . 1 1 55 55 HIS C C 13 175.348 0.015 . 1 3 . . . 74 H C . 17270 1 653 . 1 1 55 55 HIS CA C 13 57.608 0.087 . 1 3 . . . 74 H CA . 17270 1 654 . 1 1 55 55 HIS CB C 13 28.668 0.190 . 1 9 . . . 74 H CB . 17270 1 655 . 1 1 55 55 HIS CD2 C 13 118.168 0.000 . 1 1 . . . 74 H CD2 . 17270 1 656 . 1 1 55 55 HIS CE1 C 13 138.064 0.084 . 1 5 . . . 74 H CE1 . 17270 1 657 . 1 1 55 55 HIS N N 15 112.237 0.204 . 1 18 . . . 74 H N . 17270 1 658 . 1 1 56 56 LYS H H 1 7.240 0.006 . 1 26 . . . 75 K HN . 17270 1 659 . 1 1 56 56 LYS HA H 1 4.167 0.005 . 1 15 . . . 75 K HA . 17270 1 660 . 1 1 56 56 LYS HB2 H 1 1.906 0.017 . 2 9 . . . 75 K HB2 . 17270 1 661 . 1 1 56 56 LYS HD2 H 1 1.688 0.004 . 2 2 . . . 75 K HD2 . 17270 1 662 . 1 1 56 56 LYS HE2 H 1 2.999 0.012 . 2 4 . . . 75 K HE2 . 17270 1 663 . 1 1 56 56 LYS HG2 H 1 1.470 0.017 . 2 3 . . . 75 K HG2 . 17270 1 664 . 1 1 56 56 LYS HG3 H 1 1.357 0.019 . 2 5 . . . 75 K HG3 . 17270 1 665 . 1 1 56 56 LYS C C 13 177.172 0.029 . 1 3 . . . 75 K C . 17270 1 666 . 1 1 56 56 LYS CA C 13 57.403 0.041 . 1 17 . . . 75 K CA . 17270 1 667 . 1 1 56 56 LYS CB C 13 32.428 0.046 . 1 7 . . . 75 K CB . 17270 1 668 . 1 1 56 56 LYS CD C 13 29.183 0.033 . 1 3 . . . 75 K CD . 17270 1 669 . 1 1 56 56 LYS CE C 13 41.945 0.000 . 1 1 . . . 75 K CE . 17270 1 670 . 1 1 56 56 LYS CG C 13 25.021 0.075 . 1 3 . . . 75 K CG . 17270 1 671 . 1 1 56 56 LYS N N 15 118.228 0.060 . 1 24 . . . 75 K N . 17270 1 672 . 1 1 57 57 ILE H H 1 7.168 0.005 . 1 30 . . . 76 I HN . 17270 1 673 . 1 1 57 57 ILE HA H 1 3.850 0.012 . 1 14 . . . 76 I HA . 17270 1 674 . 1 1 57 57 ILE HB H 1 1.681 0.009 . 1 7 . . . 76 I HB . 17270 1 675 . 1 1 57 57 ILE HD11 H 1 0.917 0.016 . 2 3 . . . 76 I HD11 . 17270 1 676 . 1 1 57 57 ILE HD12 H 1 0.917 0.016 . 2 3 . . . 76 I HD11 . 17270 1 677 . 1 1 57 57 ILE HD13 H 1 0.917 0.016 . 2 3 . . . 76 I HD11 . 17270 1 678 . 1 1 57 57 ILE HG12 H 1 1.266 0.021 . 2 3 . . . 76 I HG12 . 17270 1 679 . 1 1 57 57 ILE HG21 H 1 0.949 0.024 . 2 8 . . . 76 I HG21 . 17270 1 680 . 1 1 57 57 ILE HG22 H 1 0.949 0.024 . 2 8 . . . 76 I HG21 . 17270 1 681 . 1 1 57 57 ILE HG23 H 1 0.949 0.024 . 2 8 . . . 76 I HG21 . 17270 1 682 . 1 1 57 57 ILE C C 13 175.551 0.012 . 1 2 . . . 76 I C . 17270 1 683 . 1 1 57 57 ILE CA C 13 62.270 0.051 . 1 10 . . . 76 I CA . 17270 1 684 . 1 1 57 57 ILE CB C 13 39.732 0.120 . 1 6 . . . 76 I CB . 17270 1 685 . 1 1 57 57 ILE CD1 C 13 12.603 0.000 . 1 1 . . . 76 I CD1 . 17270 1 686 . 1 1 57 57 ILE CG1 C 13 28.433 0.120 . 1 3 . . . 76 I CG1 . 17270 1 687 . 1 1 57 57 ILE CG2 C 13 17.280 0.085 . 1 5 . . . 76 I CG2 . 17270 1 688 . 1 1 57 57 ILE N N 15 119.040 0.065 . 1 29 . . . 76 I N . 17270 1 689 . 1 1 58 58 ILE H H 1 8.395 0.014 . 1 19 . . . 77 I HN . 17270 1 690 . 1 1 58 58 ILE HA H 1 3.903 0.008 . 1 12 . . . 77 I HA . 17270 1 691 . 1 1 58 58 ILE HB H 1 1.303 0.004 . 1 10 . . . 77 I HB . 17270 1 692 . 1 1 58 58 ILE HD11 H 1 0.683 0.008 . 2 18 . . . 77 I HD11 . 17270 1 693 . 1 1 58 58 ILE HD12 H 1 0.683 0.008 . 2 18 . . . 77 I HD11 . 17270 1 694 . 1 1 58 58 ILE HD13 H 1 0.683 0.008 . 2 18 . . . 77 I HD11 . 17270 1 695 . 1 1 58 58 ILE HG12 H 1 0.474 0.022 . 2 7 . . . 77 I HG12 . 17270 1 696 . 1 1 58 58 ILE HG13 H 1 0.885 0.011 . 2 4 . . . 77 I HG13 . 17270 1 697 . 1 1 58 58 ILE HG21 H 1 0.442 0.022 . 2 20 . . . 77 I HG21 . 17270 1 698 . 1 1 58 58 ILE HG22 H 1 0.442 0.022 . 2 20 . . . 77 I HG21 . 17270 1 699 . 1 1 58 58 ILE HG23 H 1 0.442 0.022 . 2 20 . . . 77 I HG21 . 17270 1 700 . 1 1 58 58 ILE C C 13 173.955 0.001 . 1 2 . . . 77 I C . 17270 1 701 . 1 1 58 58 ILE CA C 13 56.822 0.038 . 1 14 . . . 77 I CA . 17270 1 702 . 1 1 58 58 ILE CB C 13 33.758 0.059 . 1 14 . . . 77 I CB . 17270 1 703 . 1 1 58 58 ILE CD1 C 13 9.460 0.026 . 1 9 . . . 77 I CD1 . 17270 1 704 . 1 1 58 58 ILE CG1 C 13 25.248 0.167 . 1 10 . . . 77 I CG1 . 17270 1 705 . 1 1 58 58 ILE CG2 C 13 16.238 0.068 . 1 15 . . . 77 I CG2 . 17270 1 706 . 1 1 58 58 ILE N N 15 121.663 0.086 . 1 18 . . . 77 I N . 17270 1 707 . 1 1 59 59 LYS H H 1 7.840 0.007 . 1 13 . . . 78 K HN . 17270 1 708 . 1 1 59 59 LYS HA H 1 4.206 0.009 . 1 13 . . . 78 K HA . 17270 1 709 . 1 1 59 59 LYS HB2 H 1 1.854 0.011 . 2 7 . . . 78 K HB2 . 17270 1 710 . 1 1 59 59 LYS HB3 H 1 1.679 0.006 . 2 6 . . . 78 K HB3 . 17270 1 711 . 1 1 59 59 LYS HD2 H 1 1.617 0.003 . 2 12 . . . 78 K HD2 . 17270 1 712 . 1 1 59 59 LYS HE2 H 1 3.004 0.021 . 2 5 . . . 78 K HE2 . 17270 1 713 . 1 1 59 59 LYS HG2 H 1 1.392 0.005 . 2 3 . . . 78 K HG2 . 17270 1 714 . 1 1 59 59 LYS HG3 H 1 1.454 0.011 . 2 4 . . . 78 K HG3 . 17270 1 715 . 1 1 59 59 LYS C C 13 176.699 0.009 . 1 3 . . . 78 K C . 17270 1 716 . 1 1 59 59 LYS CA C 13 56.665 0.064 . 1 15 . . . 78 K CA . 17270 1 717 . 1 1 59 59 LYS CB C 13 32.846 0.152 . 1 6 . . . 78 K CB . 17270 1 718 . 1 1 59 59 LYS CD C 13 28.243 0.054 . 1 14 . . . 78 K CD . 17270 1 719 . 1 1 59 59 LYS CE C 13 42.057 0.000 . 1 2 . . . 78 K CE . 17270 1 720 . 1 1 59 59 LYS CG C 13 24.816 0.144 . 1 4 . . . 78 K CG . 17270 1 721 . 1 1 59 59 LYS N N 15 124.731 0.071 . 1 13 . . . 78 K N . 17270 1 722 . 1 1 60 60 ASN H H 1 8.392 0.005 . 1 30 . . . 79 N HN . 17270 1 723 . 1 1 60 60 ASN HA H 1 5.236 0.016 . 1 15 . . . 79 N HA . 17270 1 724 . 1 1 60 60 ASN HB2 H 1 2.760 0.008 . 2 3 . . . 79 N HB2 . 17270 1 725 . 1 1 60 60 ASN HB3 H 1 2.675 0.007 . 2 4 . . . 79 N HB3 . 17270 1 726 . 1 1 60 60 ASN HD21 H 1 7.608 0.007 . 2 9 . . . 79 N HD21 . 17270 1 727 . 1 1 60 60 ASN HD22 H 1 6.872 0.002 . 2 6 . . . 79 N HD22 . 17270 1 728 . 1 1 60 60 ASN C C 13 170.747 0.000 . 1 1 . . . 79 N C . 17270 1 729 . 1 1 60 60 ASN CA C 13 50.209 0.031 . 1 13 . . . 79 N CA . 17270 1 730 . 1 1 60 60 ASN CB C 13 39.438 0.050 . 1 5 . . . 79 N CB . 17270 1 731 . 1 1 60 60 ASN N N 15 116.816 0.067 . 1 26 . . . 79 N N . 17270 1 732 . 1 1 60 60 ASN ND2 N 15 113.667 0.192 . 1 12 . . . 79 N ND2 . 17270 1 733 . 1 1 61 61 PRO HA H 1 3.973 0.006 . 1 8 . . . 80 P HA . 17270 1 734 . 1 1 61 61 PRO HB2 H 1 2.350 0.019 . 2 4 . . . 80 P HB2 . 17270 1 735 . 1 1 61 61 PRO HB3 H 1 1.976 0.019 . 2 6 . . . 80 P HB3 . 17270 1 736 . 1 1 61 61 PRO HD2 H 1 3.639 0.020 . 2 3 . . . 80 P HD2 . 17270 1 737 . 1 1 61 61 PRO C C 13 174.819 0.000 . 1 1 . . . 80 P C . 17270 1 738 . 1 1 61 61 PRO CA C 13 63.120 0.057 . 1 6 . . . 80 P CA . 17270 1 739 . 1 1 61 61 PRO CB C 13 32.086 0.101 . 1 6 . . . 80 P CB . 17270 1 740 . 1 1 61 61 PRO CG C 13 27.779 0.000 . 1 1 . . . 80 P CG . 17270 1 741 . 1 1 62 62 MET H H 1 8.130 0.006 . 1 24 . . . 81 M HN . 17270 1 742 . 1 1 62 62 MET HA H 1 5.000 0.005 . 1 13 . . . 81 M HA . 17270 1 743 . 1 1 62 62 MET HB2 H 1 1.192 0.018 . 2 4 . . . 81 M HB2 . 17270 1 744 . 1 1 62 62 MET HB3 H 1 2.101 0.012 . 2 4 . . . 81 M HB3 . 17270 1 745 . 1 1 62 62 MET HE1 H 1 1.993 0.001 . 2 6 . . . 81 M HE1 . 17270 1 746 . 1 1 62 62 MET HE2 H 1 1.993 0.001 . 2 6 . . . 81 M HE1 . 17270 1 747 . 1 1 62 62 MET HE3 H 1 1.993 0.001 . 2 6 . . . 81 M HE1 . 17270 1 748 . 1 1 62 62 MET HG2 H 1 1.922 0.012 . 2 2 . . . 81 M HG2 . 17270 1 749 . 1 1 62 62 MET HG3 H 1 1.843 0.004 . 2 2 . . . 81 M HG3 . 17270 1 750 . 1 1 62 62 MET C C 13 172.544 0.005 . 1 2 . . . 81 M C . 17270 1 751 . 1 1 62 62 MET CA C 13 53.952 0.043 . 1 11 . . . 81 M CA . 17270 1 752 . 1 1 62 62 MET CB C 13 31.779 0.073 . 1 4 . . . 81 M CB . 17270 1 753 . 1 1 62 62 MET CE C 13 13.876 0.030 . 1 5 . . . 81 M CE . 17270 1 754 . 1 1 62 62 MET CG C 13 30.893 0.038 . 1 4 . . . 81 M CG . 17270 1 755 . 1 1 62 62 MET N N 15 119.058 0.058 . 1 23 . . . 81 M N . 17270 1 756 . 1 1 63 63 ASP H H 1 7.434 0.005 . 1 28 . . . 82 D HN . 17270 1 757 . 1 1 63 63 ASP HA H 1 4.749 0.015 . 1 11 . . . 82 D HA . 17270 1 758 . 1 1 63 63 ASP HB2 H 1 2.512 0.016 . 2 11 . . . 82 D HB2 . 17270 1 759 . 1 1 63 63 ASP HB3 H 1 2.175 0.009 . 2 7 . . . 82 D HB3 . 17270 1 760 . 1 1 63 63 ASP C C 13 172.831 0.056 . 1 2 . . . 82 D C . 17270 1 761 . 1 1 63 63 ASP CA C 13 53.029 0.047 . 1 9 . . . 82 D CA . 17270 1 762 . 1 1 63 63 ASP CB C 13 44.215 0.117 . 1 14 . . . 82 D CB . 17270 1 763 . 1 1 63 63 ASP N N 15 119.668 0.077 . 1 25 . . . 82 D N . 17270 1 764 . 1 1 64 64 MET H H 1 8.949 0.005 . 1 26 . . . 83 M HN . 17270 1 765 . 1 1 64 64 MET HA H 1 3.913 0.009 . 1 11 . . . 83 M HA . 17270 1 766 . 1 1 64 64 MET HB2 H 1 2.322 0.020 . 2 6 . . . 83 M HB2 . 17270 1 767 . 1 1 64 64 MET HB3 H 1 2.018 0.011 . 2 6 . . . 83 M HB3 . 17270 1 768 . 1 1 64 64 MET HE1 H 1 2.058 0.007 . 2 8 . . . 83 M HE1 . 17270 1 769 . 1 1 64 64 MET HE2 H 1 2.058 0.007 . 2 8 . . . 83 M HE1 . 17270 1 770 . 1 1 64 64 MET HE3 H 1 2.058 0.007 . 2 8 . . . 83 M HE1 . 17270 1 771 . 1 1 64 64 MET HG2 H 1 2.826 0.017 . 2 13 . . . 83 M HG2 . 17270 1 772 . 1 1 64 64 MET C C 13 177.295 0.001 . 1 2 . . . 83 M C . 17270 1 773 . 1 1 64 64 MET CA C 13 59.353 0.034 . 1 11 . . . 83 M CA . 17270 1 774 . 1 1 64 64 MET CB C 13 35.181 0.098 . 1 6 . . . 83 M CB . 17270 1 775 . 1 1 64 64 MET CE C 13 15.413 0.025 . 1 5 . . . 83 M CE . 17270 1 776 . 1 1 64 64 MET CG C 13 32.213 0.068 . 1 7 . . . 83 M CG . 17270 1 777 . 1 1 64 64 MET N N 15 121.335 0.069 . 1 24 . . . 83 M N . 17270 1 778 . 1 1 65 65 GLY H H 1 8.694 0.008 . 1 28 . . . 84 G HN . 17270 1 779 . 1 1 65 65 GLY HA2 H 1 4.411 0.022 . 2 9 . . . 84 G HA2 . 17270 1 780 . 1 1 65 65 GLY HA3 H 1 4.107 0.009 . 2 5 . . . 84 G HA3 . 17270 1 781 . 1 1 65 65 GLY C C 13 177.612 0.000 . 1 1 . . . 84 G C . 17270 1 782 . 1 1 65 65 GLY CA C 13 47.908 0.038 . 1 5 . . . 84 G CA . 17270 1 783 . 1 1 65 65 GLY N N 15 113.791 0.053 . 1 27 . . . 84 G N . 17270 1 784 . 1 1 66 66 THR H H 1 8.566 0.012 . 1 15 . . . 85 T HN . 17270 1 785 . 1 1 66 66 THR HA H 1 3.724 0.016 . 1 7 . . . 85 T HA . 17270 1 786 . 1 1 66 66 THR HB H 1 4.116 0.004 . 1 5 . . . 85 T HB . 17270 1 787 . 1 1 66 66 THR HG21 H 1 0.893 0.003 . 2 5 . . . 85 T HG21 . 17270 1 788 . 1 1 66 66 THR HG22 H 1 0.893 0.003 . 2 5 . . . 85 T HG21 . 17270 1 789 . 1 1 66 66 THR HG23 H 1 0.893 0.003 . 2 5 . . . 85 T HG21 . 17270 1 790 . 1 1 66 66 THR C C 13 175.996 0.000 . 1 1 . . . 85 T C . 17270 1 791 . 1 1 66 66 THR CA C 13 67.103 0.125 . 1 4 . . . 85 T CA . 17270 1 792 . 1 1 66 66 THR CB C 13 67.368 0.021 . 1 3 . . . 85 T CB . 17270 1 793 . 1 1 66 66 THR CG2 C 13 21.299 0.000 . 1 1 . . . 85 T CG2 . 17270 1 794 . 1 1 66 66 THR N N 15 124.424 0.040 . 1 14 . . . 85 T N . 17270 1 795 . 1 1 67 67 ILE H H 1 7.208 0.013 . 1 25 . . . 86 I HN . 17270 1 796 . 1 1 67 67 ILE HA H 1 3.680 0.003 . 1 9 . . . 86 I HA . 17270 1 797 . 1 1 67 67 ILE HB H 1 1.414 0.008 . 1 8 . . . 86 I HB . 17270 1 798 . 1 1 67 67 ILE HD11 H 1 -0.476 0.012 . 2 17 . . . 86 I HD11 . 17270 1 799 . 1 1 67 67 ILE HD12 H 1 -0.476 0.012 . 2 17 . . . 86 I HD11 . 17270 1 800 . 1 1 67 67 ILE HD13 H 1 -0.476 0.012 . 2 17 . . . 86 I HD11 . 17270 1 801 . 1 1 67 67 ILE HG12 H 1 1.074 0.000 . 2 1 . . . 86 I HG12 . 17270 1 802 . 1 1 67 67 ILE HG13 H 1 1.307 0.000 . 2 1 . . . 86 I HG13 . 17270 1 803 . 1 1 67 67 ILE HG21 H 1 0.782 0.023 . 2 15 . . . 86 I HG21 . 17270 1 804 . 1 1 67 67 ILE HG22 H 1 0.782 0.023 . 2 15 . . . 86 I HG21 . 17270 1 805 . 1 1 67 67 ILE HG23 H 1 0.782 0.023 . 2 15 . . . 86 I HG21 . 17270 1 806 . 1 1 67 67 ILE C C 13 177.036 0.018 . 1 2 . . . 86 I C . 17270 1 807 . 1 1 67 67 ILE CA C 13 65.862 0.103 . 1 11 . . . 86 I CA . 17270 1 808 . 1 1 67 67 ILE CB C 13 38.932 0.079 . 1 7 . . . 86 I CB . 17270 1 809 . 1 1 67 67 ILE CD1 C 13 11.919 0.000 . 1 1 . . . 86 I CD1 . 17270 1 810 . 1 1 67 67 ILE CG1 C 13 28.872 0.068 . 1 4 . . . 86 I CG1 . 17270 1 811 . 1 1 67 67 ILE CG2 C 13 17.495 0.044 . 1 7 . . . 86 I CG2 . 17270 1 812 . 1 1 67 67 ILE N N 15 122.163 0.067 . 1 16 . . . 86 I N . 17270 1 813 . 1 1 68 68 LYS H H 1 8.574 0.006 . 1 28 . . . 87 K HN . 17270 1 814 . 1 1 68 68 LYS HA H 1 3.885 0.006 . 1 9 . . . 87 K HA . 17270 1 815 . 1 1 68 68 LYS HB2 H 1 2.063 0.016 . 2 5 . . . 87 K HB2 . 17270 1 816 . 1 1 68 68 LYS HB3 H 1 1.789 0.005 . 2 4 . . . 87 K HB3 . 17270 1 817 . 1 1 68 68 LYS HG2 H 1 1.189 0.007 . 2 5 . . . 87 K HG2 . 17270 1 818 . 1 1 68 68 LYS C C 13 178.106 0.014 . 1 2 . . . 87 K C . 17270 1 819 . 1 1 68 68 LYS CA C 13 60.977 0.065 . 1 11 . . . 87 K CA . 17270 1 820 . 1 1 68 68 LYS CB C 13 33.105 0.080 . 1 5 . . . 87 K CB . 17270 1 821 . 1 1 68 68 LYS CD C 13 29.591 0.000 . 1 1 . . . 87 K CD . 17270 1 822 . 1 1 68 68 LYS CE C 13 41.940 0.000 . 1 1 . . . 87 K CE . 17270 1 823 . 1 1 68 68 LYS CG C 13 24.509 0.127 . 1 2 . . . 87 K CG . 17270 1 824 . 1 1 68 68 LYS N N 15 120.128 0.062 . 1 26 . . . 87 K N . 17270 1 825 . 1 1 69 69 LYS H H 1 8.063 0.007 . 1 30 . . . 88 K HN . 17270 1 826 . 1 1 69 69 LYS HA H 1 4.037 0.016 . 1 9 . . . 88 K HA . 17270 1 827 . 1 1 69 69 LYS HB2 H 1 1.872 0.004 . 2 2 . . . 88 K HB2 . 17270 1 828 . 1 1 69 69 LYS HB3 H 1 1.811 0.014 . 2 2 . . . 88 K HB3 . 17270 1 829 . 1 1 69 69 LYS HG2 H 1 1.530 0.006 . 2 3 . . . 88 K HG2 . 17270 1 830 . 1 1 69 69 LYS HG3 H 1 1.470 0.033 . 2 3 . . . 88 K HG3 . 17270 1 831 . 1 1 69 69 LYS C C 13 179.104 0.005 . 1 2 . . . 88 K C . 17270 1 832 . 1 1 69 69 LYS CA C 13 59.103 0.049 . 1 7 . . . 88 K CA . 17270 1 833 . 1 1 69 69 LYS CB C 13 32.055 0.015 . 1 4 . . . 88 K CB . 17270 1 834 . 1 1 69 69 LYS CD C 13 28.870 0.000 . 1 1 . . . 88 K CD . 17270 1 835 . 1 1 69 69 LYS CE C 13 41.947 0.000 . 1 1 . . . 88 K CE . 17270 1 836 . 1 1 69 69 LYS CG C 13 25.183 0.125 . 1 2 . . . 88 K CG . 17270 1 837 . 1 1 69 69 LYS N N 15 118.573 0.042 . 1 25 . . . 88 K N . 17270 1 838 . 1 1 70 70 ARG H H 1 8.445 0.005 . 1 29 . . . 89 R HN . 17270 1 839 . 1 1 70 70 ARG HA H 1 3.797 0.011 . 1 14 . . . 89 R HA . 17270 1 840 . 1 1 70 70 ARG HB2 H 1 2.187 0.023 . 2 6 . . . 89 R HB2 . 17270 1 841 . 1 1 70 70 ARG HE H 1 6.114 0.004 . 1 8 . . . 89 R HE . 17270 1 842 . 1 1 70 70 ARG HG2 H 1 1.661 0.008 . 2 2 . . . 89 R HG2 . 17270 1 843 . 1 1 70 70 ARG C C 13 179.385 0.066 . 1 2 . . . 89 R C . 17270 1 844 . 1 1 70 70 ARG CA C 13 60.277 0.059 . 1 11 . . . 89 R CA . 17270 1 845 . 1 1 70 70 ARG CB C 13 29.869 0.057 . 1 3 . . . 89 R CB . 17270 1 846 . 1 1 70 70 ARG N N 15 120.882 0.039 . 1 26 . . . 89 R N . 17270 1 847 . 1 1 70 70 ARG NE N 15 83.939 0.051 . 1 7 . . . 89 R NE . 17270 1 848 . 1 1 71 71 LEU H H 1 8.517 0.006 . 1 22 . . . 90 L HN . 17270 1 849 . 1 1 71 71 LEU HA H 1 4.422 0.015 . 1 15 . . . 90 L HA . 17270 1 850 . 1 1 71 71 LEU HB2 H 1 2.309 0.014 . 2 6 . . . 90 L HB2 . 17270 1 851 . 1 1 71 71 LEU HB3 H 1 1.433 0.029 . 2 8 . . . 90 L HB3 . 17270 1 852 . 1 1 71 71 LEU HD11 H 1 0.855 0.000 . 2 1 . . . 90 L HD11 . 17270 1 853 . 1 1 71 71 LEU HD12 H 1 0.855 0.000 . 2 1 . . . 90 L HD11 . 17270 1 854 . 1 1 71 71 LEU HD13 H 1 0.855 0.000 . 2 1 . . . 90 L HD11 . 17270 1 855 . 1 1 71 71 LEU HD21 H 1 0.970 0.000 . 2 1 . . . 90 L HD21 . 17270 1 856 . 1 1 71 71 LEU HD22 H 1 0.970 0.000 . 2 1 . . . 90 L HD21 . 17270 1 857 . 1 1 71 71 LEU HD23 H 1 0.970 0.000 . 2 1 . . . 90 L HD21 . 17270 1 858 . 1 1 71 71 LEU HG H 1 0.962 0.011 . 1 8 . . . 90 L HG . 17270 1 859 . 1 1 71 71 LEU C C 13 180.524 0.040 . 1 2 . . . 90 L C . 17270 1 860 . 1 1 71 71 LEU CA C 13 58.350 0.060 . 1 12 . . . 90 L CA . 17270 1 861 . 1 1 71 71 LEU CB C 13 41.936 0.194 . 1 8 . . . 90 L CB . 17270 1 862 . 1 1 71 71 LEU CD1 C 13 24.934 0.094 . 2 2 . . . 90 L CD1 . 17270 1 863 . 1 1 71 71 LEU CD2 C 13 24.934 0.094 . 2 2 . . . 90 L CD2 . 17270 1 864 . 1 1 71 71 LEU CG C 13 27.388 0.036 . 1 4 . . . 90 L CG . 17270 1 865 . 1 1 71 71 LEU N N 15 120.562 0.047 . 1 19 . . . 90 L N . 17270 1 866 . 1 1 72 72 GLU H H 1 8.348 0.004 . 1 34 . . . 91 E HN . 17270 1 867 . 1 1 72 72 GLU HA H 1 3.970 0.018 . 1 12 . . . 91 E HA . 17270 1 868 . 1 1 72 72 GLU HB2 H 1 1.941 0.003 . 2 4 . . . 91 E HB2 . 17270 1 869 . 1 1 72 72 GLU HG2 H 1 2.517 0.021 . 2 7 . . . 91 E HG2 . 17270 1 870 . 1 1 72 72 GLU C C 13 177.794 0.019 . 1 2 . . . 91 E C . 17270 1 871 . 1 1 72 72 GLU CA C 13 58.745 0.045 . 1 6 . . . 91 E CA . 17270 1 872 . 1 1 72 72 GLU CB C 13 29.423 0.060 . 1 4 . . . 91 E CB . 17270 1 873 . 1 1 72 72 GLU CG C 13 36.521 0.057 . 1 5 . . . 91 E CG . 17270 1 874 . 1 1 72 72 GLU N N 15 119.490 0.068 . 1 31 . . . 91 E N . 17270 1 875 . 1 1 73 73 ASN H H 1 7.992 0.005 . 1 23 . . . 92 N HN . 17270 1 876 . 1 1 73 73 ASN HA H 1 4.800 0.012 . 1 5 . . . 92 N HA . 17270 1 877 . 1 1 73 73 ASN HB2 H 1 3.014 0.023 . 2 7 . . . 92 N HB2 . 17270 1 878 . 1 1 73 73 ASN HB3 H 1 2.761 0.016 . 2 6 . . . 92 N HB3 . 17270 1 879 . 1 1 73 73 ASN HD21 H 1 7.543 0.004 . 2 6 . . . 92 N HD21 . 17270 1 880 . 1 1 73 73 ASN HD22 H 1 7.066 0.003 . 2 9 . . . 92 N HD22 . 17270 1 881 . 1 1 73 73 ASN C C 13 174.715 0.000 . 1 1 . . . 92 N C . 17270 1 882 . 1 1 73 73 ASN CA C 13 52.638 0.064 . 1 7 . . . 92 N CA . 17270 1 883 . 1 1 73 73 ASN CB C 13 38.645 0.116 . 1 3 . . . 92 N CB . 17270 1 884 . 1 1 73 73 ASN N N 15 115.133 0.037 . 1 22 . . . 92 N N . 17270 1 885 . 1 1 73 73 ASN ND2 N 15 112.546 0.176 . 1 13 . . . 92 N ND2 . 17270 1 886 . 1 1 74 74 ASN H H 1 7.899 0.005 . 1 23 . . . 93 N HN . 17270 1 887 . 1 1 74 74 ASN HA H 1 4.867 0.006 . 1 9 . . . 93 N HA . 17270 1 888 . 1 1 74 74 ASN HB2 H 1 2.929 0.016 . 2 9 . . . 93 N HB2 . 17270 1 889 . 1 1 74 74 ASN HB3 H 1 2.679 0.023 . 2 10 . . . 93 N HB3 . 17270 1 890 . 1 1 74 74 ASN HD21 H 1 7.522 0.002 . 2 7 . . . 93 N HD21 . 17270 1 891 . 1 1 74 74 ASN HD22 H 1 6.662 0.004 . 2 9 . . . 93 N HD22 . 17270 1 892 . 1 1 74 74 ASN C C 13 174.244 0.031 . 1 3 . . . 93 N C . 17270 1 893 . 1 1 74 74 ASN CA C 13 54.373 0.036 . 1 8 . . . 93 N CA . 17270 1 894 . 1 1 74 74 ASN CB C 13 36.290 0.042 . 1 8 . . . 93 N CB . 17270 1 895 . 1 1 74 74 ASN N N 15 116.575 0.051 . 1 22 . . . 93 N N . 17270 1 896 . 1 1 74 74 ASN ND2 N 15 112.401 0.192 . 1 13 . . . 93 N ND2 . 17270 1 897 . 1 1 75 75 TYR H H 1 8.547 0.007 . 1 28 . . . 94 Y HN . 17270 1 898 . 1 1 75 75 TYR HA H 1 4.066 0.005 . 1 8 . . . 94 Y HA . 17270 1 899 . 1 1 75 75 TYR HB2 H 1 2.960 0.018 . 2 7 . . . 94 Y HB2 . 17270 1 900 . 1 1 75 75 TYR HB3 H 1 2.165 0.023 . 2 6 . . . 94 Y HB3 . 17270 1 901 . 1 1 75 75 TYR HD1 H 1 6.366 0.013 . 3 22 . . . 94 Y HD1 . 17270 1 902 . 1 1 75 75 TYR HE1 H 1 6.633 0.009 . 3 17 . . . 94 Y HE1 . 17270 1 903 . 1 1 75 75 TYR C C 13 176.836 0.011 . 1 2 . . . 94 Y C . 17270 1 904 . 1 1 75 75 TYR CA C 13 60.193 0.024 . 1 6 . . . 94 Y CA . 17270 1 905 . 1 1 75 75 TYR CB C 13 40.766 0.081 . 1 6 . . . 94 Y CB . 17270 1 906 . 1 1 75 75 TYR CD1 C 13 132.411 0.152 . 3 8 . . . 94 Y CD1 . 17270 1 907 . 1 1 75 75 TYR CD2 C 13 132.750 0.000 . 3 1 . . . 94 Y CD2 . 17270 1 908 . 1 1 75 75 TYR CE1 C 13 117.146 0.042 . 3 9 . . . 94 Y CE1 . 17270 1 909 . 1 1 75 75 TYR CE2 C 13 117.141 0.000 . 3 1 . . . 94 Y CE2 . 17270 1 910 . 1 1 75 75 TYR N N 15 116.065 0.048 . 1 26 . . . 94 Y N . 17270 1 911 . 1 1 76 76 TYR H H 1 8.005 0.005 . 1 23 . . . 95 Y HN . 17270 1 912 . 1 1 76 76 TYR HA H 1 4.519 0.006 . 1 9 . . . 95 Y HA . 17270 1 913 . 1 1 76 76 TYR HB2 H 1 3.203 0.010 . 2 11 . . . 95 Y HB2 . 17270 1 914 . 1 1 76 76 TYR HD1 H 1 7.606 0.009 . 3 5 . . . 95 Y HD1 . 17270 1 915 . 1 1 76 76 TYR HE1 H 1 7.189 0.019 . 3 14 . . . 95 Y HE1 . 17270 1 916 . 1 1 76 76 TYR C C 13 175.337 0.035 . 1 2 . . . 95 Y C . 17270 1 917 . 1 1 76 76 TYR CA C 13 57.218 0.083 . 1 9 . . . 95 Y CA . 17270 1 918 . 1 1 76 76 TYR CB C 13 39.001 0.074 . 1 6 . . . 95 Y CB . 17270 1 919 . 1 1 76 76 TYR CD1 C 13 133.250 0.000 . 3 1 . . . 95 Y CD1 . 17270 1 920 . 1 1 76 76 TYR CD2 C 13 133.250 0.000 . 3 1 . . . 95 Y CD2 . 17270 1 921 . 1 1 76 76 TYR CE1 C 13 117.860 0.090 . 3 3 . . . 95 Y CE1 . 17270 1 922 . 1 1 76 76 TYR CE2 C 13 117.917 0.000 . 3 1 . . . 95 Y CE2 . 17270 1 923 . 1 1 76 76 TYR N N 15 115.145 0.048 . 1 23 . . . 95 Y N . 17270 1 924 . 1 1 77 77 TRP H H 1 9.811 0.005 . 1 22 . . . 96 W HN . 17270 1 925 . 1 1 77 77 TRP HA H 1 4.520 0.006 . 1 2 . . . 96 W HA . 17270 1 926 . 1 1 77 77 TRP HB2 H 1 3.464 0.011 . 2 4 . . . 96 W HB2 . 17270 1 927 . 1 1 77 77 TRP HB3 H 1 3.387 0.004 . 2 3 . . . 96 W HB3 . 17270 1 928 . 1 1 77 77 TRP HD1 H 1 7.219 0.019 . 1 10 . . . 96 W HD1 . 17270 1 929 . 1 1 77 77 TRP HE1 H 1 10.208 0.005 . 1 16 . . . 96 W HE1 . 17270 1 930 . 1 1 77 77 TRP HE3 H 1 7.400 0.009 . 1 6 . . . 96 W HE3 . 17270 1 931 . 1 1 77 77 TRP HH2 H 1 7.239 0.007 . 1 5 . . . 96 W HH2 . 17270 1 932 . 1 1 77 77 TRP HZ2 H 1 7.461 0.006 . 1 5 . . . 96 W HZ2 . 17270 1 933 . 1 1 77 77 TRP HZ3 H 1 7.098 0.016 . 1 6 . . . 96 W HZ3 . 17270 1 934 . 1 1 77 77 TRP C C 13 175.568 0.026 . 1 2 . . . 96 W C . 17270 1 935 . 1 1 77 77 TRP CA C 13 58.754 0.030 . 1 2 . . . 96 W CA . 17270 1 936 . 1 1 77 77 TRP CB C 13 30.428 0.057 . 1 4 . . . 96 W CB . 17270 1 937 . 1 1 77 77 TRP CD1 C 13 126.925 0.064 . 1 7 . . . 96 W CD1 . 17270 1 938 . 1 1 77 77 TRP CE3 C 13 120.615 0.017 . 1 4 . . . 96 W CE3 . 17270 1 939 . 1 1 77 77 TRP CH2 C 13 124.850 0.046 . 1 3 . . . 96 W CH2 . 17270 1 940 . 1 1 77 77 TRP CZ2 C 13 114.488 0.114 . 1 3 . . . 96 W CZ2 . 17270 1 941 . 1 1 77 77 TRP CZ3 C 13 122.065 0.030 . 1 3 . . . 96 W CZ3 . 17270 1 942 . 1 1 77 77 TRP N N 15 122.364 0.072 . 1 20 . . . 96 W N . 17270 1 943 . 1 1 77 77 TRP NE1 N 15 129.726 0.063 . 1 15 . . . 96 W NE1 . 17270 1 944 . 1 1 78 78 SER H H 1 7.813 0.004 . 1 20 . . . 97 S HN . 17270 1 945 . 1 1 78 78 SER HA H 1 5.075 0.009 . 1 13 . . . 97 S HA . 17270 1 946 . 1 1 78 78 SER HB2 H 1 4.063 0.006 . 2 9 . . . 97 S HB2 . 17270 1 947 . 1 1 78 78 SER HB3 H 1 3.649 0.011 . 2 8 . . . 97 S HB3 . 17270 1 948 . 1 1 78 78 SER CA C 13 54.770 0.031 . 1 6 . . . 97 S CA . 17270 1 949 . 1 1 78 78 SER CB C 13 65.721 0.050 . 1 8 . . . 97 S CB . 17270 1 950 . 1 1 78 78 SER N N 15 108.970 0.029 . 1 19 . . . 97 S N . 17270 1 951 . 1 1 79 79 ALA H H 1 10.371 0.008 . 1 17 . . . 98 A HN . 17270 1 952 . 1 1 79 79 ALA HA H 1 3.916 0.001 . 1 4 . . . 98 A HA . 17270 1 953 . 1 1 79 79 ALA HB1 H 1 1.392 0.007 . 1 9 . . . 98 A HB1 . 17270 1 954 . 1 1 79 79 ALA HB2 H 1 1.392 0.007 . 1 9 . . . 98 A HB1 . 17270 1 955 . 1 1 79 79 ALA HB3 H 1 1.392 0.007 . 1 9 . . . 98 A HB1 . 17270 1 956 . 1 1 79 79 ALA C C 13 178.915 0.000 . 1 1 . . . 98 A C . 17270 1 957 . 1 1 79 79 ALA CA C 13 55.149 0.051 . 1 5 . . . 98 A CA . 17270 1 958 . 1 1 79 79 ALA CB C 13 18.615 0.048 . 1 6 . . . 98 A CB . 17270 1 959 . 1 1 79 79 ALA N N 15 132.523 0.056 . 1 14 . . . 98 A N . 17270 1 960 . 1 1 80 80 SER H H 1 9.069 0.010 . 1 27 . . . 99 S HN . 17270 1 961 . 1 1 80 80 SER HA H 1 3.982 0.005 . 1 8 . . . 99 S HA . 17270 1 962 . 1 1 80 80 SER HB2 H 1 4.159 0.013 . 2 2 . . . 99 S HB2 . 17270 1 963 . 1 1 80 80 SER C C 13 177.482 0.000 . 1 1 . . . 99 S C . 17270 1 964 . 1 1 80 80 SER CA C 13 61.813 0.048 . 1 8 . . . 99 S CA . 17270 1 965 . 1 1 80 80 SER N N 15 116.894 0.035 . 1 24 . . . 99 S N . 17270 1 966 . 1 1 81 81 GLU H H 1 7.574 0.004 . 1 22 . . . 100 E HN . 17270 1 967 . 1 1 81 81 GLU HA H 1 4.237 0.005 . 1 9 . . . 100 E HA . 17270 1 968 . 1 1 81 81 GLU HB2 H 1 2.568 0.018 . 2 5 . . . 100 E HB2 . 17270 1 969 . 1 1 81 81 GLU HB3 H 1 2.516 0.018 . 2 5 . . . 100 E HB3 . 17270 1 970 . 1 1 81 81 GLU HG2 H 1 2.664 0.000 . 2 1 . . . 100 E HG2 . 17270 1 971 . 1 1 81 81 GLU C C 13 178.070 0.001 . 1 2 . . . 100 E C . 17270 1 972 . 1 1 81 81 GLU CA C 13 58.470 0.028 . 1 8 . . . 100 E CA . 17270 1 973 . 1 1 81 81 GLU CB C 13 31.990 0.192 . 1 5 . . . 100 E CB . 17270 1 974 . 1 1 81 81 GLU CG C 13 37.028 0.091 . 1 2 . . . 100 E CG . 17270 1 975 . 1 1 81 81 GLU N N 15 122.828 0.027 . 1 21 . . . 100 E N . 17270 1 976 . 1 1 82 82 CYS H H 1 6.495 0.008 . 1 33 . . . 101 C HN . 17270 1 977 . 1 1 82 82 CYS HA H 1 3.664 0.013 . 1 11 . . . 101 C HA . 17270 1 978 . 1 1 82 82 CYS HB2 H 1 2.640 0.018 . 2 3 . . . 101 C HB2 . 17270 1 979 . 1 1 82 82 CYS HB3 H 1 1.837 0.019 . 2 9 . . . 101 C HB3 . 17270 1 980 . 1 1 82 82 CYS C C 13 176.536 0.000 . 1 1 . . . 101 C C . 17270 1 981 . 1 1 82 82 CYS CA C 13 61.909 0.059 . 1 6 . . . 101 C CA . 17270 1 982 . 1 1 82 82 CYS CB C 13 26.444 0.081 . 1 5 . . . 101 C CB . 17270 1 983 . 1 1 82 82 CYS N N 15 120.809 0.054 . 1 26 . . . 101 C N . 17270 1 984 . 1 1 83 83 MET H H 1 8.717 0.006 . 1 19 . . . 102 M HN . 17270 1 985 . 1 1 83 83 MET HA H 1 4.342 0.011 . 1 14 . . . 102 M HA . 17270 1 986 . 1 1 83 83 MET HB2 H 1 2.782 0.012 . 2 8 . . . 102 M HB2 . 17270 1 987 . 1 1 83 83 MET HB3 H 1 2.555 0.005 . 2 6 . . . 102 M HB3 . 17270 1 988 . 1 1 83 83 MET HE1 H 1 1.922 0.009 . 2 5 . . . 102 M HE1 . 17270 1 989 . 1 1 83 83 MET HE2 H 1 1.922 0.009 . 2 5 . . . 102 M HE1 . 17270 1 990 . 1 1 83 83 MET HE3 H 1 1.922 0.009 . 2 5 . . . 102 M HE1 . 17270 1 991 . 1 1 83 83 MET HG2 H 1 2.413 0.009 . 2 3 . . . 102 M HG2 . 17270 1 992 . 1 1 83 83 MET HG3 H 1 2.337 0.007 . 2 4 . . . 102 M HG3 . 17270 1 993 . 1 1 83 83 MET C C 13 178.189 0.003 . 1 2 . . . 102 M C . 17270 1 994 . 1 1 83 83 MET CA C 13 59.922 0.065 . 1 18 . . . 102 M CA . 17270 1 995 . 1 1 83 83 MET CB C 13 32.570 0.184 . 1 11 . . . 102 M CB . 17270 1 996 . 1 1 83 83 MET CE C 13 16.230 0.032 . 1 3 . . . 102 M CE . 17270 1 997 . 1 1 83 83 MET CG C 13 32.453 0.096 . 1 2 . . . 102 M CG . 17270 1 998 . 1 1 83 83 MET N N 15 118.030 0.044 . 1 14 . . . 102 M N . 17270 1 999 . 1 1 84 84 GLN H H 1 7.792 0.012 . 1 22 . . . 103 Q HN . 17270 1 1000 . 1 1 84 84 GLN HA H 1 4.243 0.008 . 1 8 . . . 103 Q HA . 17270 1 1001 . 1 1 84 84 GLN HB2 H 1 2.337 0.005 . 2 4 . . . 103 Q HB2 . 17270 1 1002 . 1 1 84 84 GLN HE21 H 1 7.548 0.005 . 2 5 . . . 103 Q HE21 . 17270 1 1003 . 1 1 84 84 GLN HE22 H 1 6.978 0.014 . 2 6 . . . 103 Q HE22 . 17270 1 1004 . 1 1 84 84 GLN HG2 H 1 2.569 0.004 . 2 2 . . . 103 Q HG2 . 17270 1 1005 . 1 1 84 84 GLN C C 13 178.194 0.002 . 1 2 . . . 103 Q C . 17270 1 1006 . 1 1 84 84 GLN CA C 13 59.137 0.053 . 1 7 . . . 103 Q CA . 17270 1 1007 . 1 1 84 84 GLN CB C 13 27.999 0.081 . 1 6 . . . 103 Q CB . 17270 1 1008 . 1 1 84 84 GLN CG C 13 33.830 0.000 . 1 1 . . . 103 Q CG . 17270 1 1009 . 1 1 84 84 GLN N N 15 118.589 0.043 . 1 21 . . . 103 Q N . 17270 1 1010 . 1 1 84 84 GLN NE2 N 15 112.593 0.168 . 1 9 . . . 103 Q NE2 . 17270 1 1011 . 1 1 85 85 ASP H H 1 7.706 0.003 . 1 31 . . . 104 D HN . 17270 1 1012 . 1 1 85 85 ASP HA H 1 4.513 0.010 . 1 8 . . . 104 D HA . 17270 1 1013 . 1 1 85 85 ASP HB2 H 1 2.939 0.011 . 2 5 . . . 104 D HB2 . 17270 1 1014 . 1 1 85 85 ASP HB3 H 1 2.617 0.026 . 2 2 . . . 104 D HB3 . 17270 1 1015 . 1 1 85 85 ASP C C 13 178.693 0.037 . 1 3 . . . 104 D C . 17270 1 1016 . 1 1 85 85 ASP CA C 13 58.342 0.064 . 1 5 . . . 104 D CA . 17270 1 1017 . 1 1 85 85 ASP CB C 13 39.584 0.048 . 1 3 . . . 104 D CB . 17270 1 1018 . 1 1 85 85 ASP N N 15 122.059 0.043 . 1 30 . . . 104 D N . 17270 1 1019 . 1 1 86 86 PHE H H 1 8.183 0.012 . 1 28 . . . 105 F HN . 17270 1 1020 . 1 1 86 86 PHE HA H 1 3.470 0.006 . 1 9 . . . 105 F HA . 17270 1 1021 . 1 1 86 86 PHE HB2 H 1 2.867 0.012 . 2 3 . . . 105 F HB2 . 17270 1 1022 . 1 1 86 86 PHE HB3 H 1 2.076 0.013 . 2 8 . . . 105 F HB3 . 17270 1 1023 . 1 1 86 86 PHE HD1 H 1 6.874 0.005 . 3 10 . . . 105 F HD1 . 17270 1 1024 . 1 1 86 86 PHE HE1 H 1 7.065 0.022 . 3 7 . . . 105 F HE1 . 17270 1 1025 . 1 1 86 86 PHE C C 13 177.088 0.022 . 1 3 . . . 105 F C . 17270 1 1026 . 1 1 86 86 PHE CA C 13 63.604 0.061 . 1 8 . . . 105 F CA . 17270 1 1027 . 1 1 86 86 PHE CB C 13 39.641 0.093 . 1 5 . . . 105 F CB . 17270 1 1028 . 1 1 86 86 PHE CD1 C 13 132.266 0.096 . 3 5 . . . 105 F CD1 . 17270 1 1029 . 1 1 86 86 PHE CD2 C 13 132.117 0.000 . 3 1 . . . 105 F CD2 . 17270 1 1030 . 1 1 86 86 PHE N N 15 120.254 0.068 . 1 21 . . . 105 F N . 17270 1 1031 . 1 1 87 87 ASN H H 1 8.425 0.012 . 1 30 . . . 106 N HN . 17270 1 1032 . 1 1 87 87 ASN HA H 1 4.709 0.028 . 1 12 . . . 106 N HA . 17270 1 1033 . 1 1 87 87 ASN HB2 H 1 3.002 0.015 . 2 12 . . . 106 N HB2 . 17270 1 1034 . 1 1 87 87 ASN HD21 H 1 7.717 0.006 . 2 8 . . . 106 N HD21 . 17270 1 1035 . 1 1 87 87 ASN HD22 H 1 7.010 0.009 . 2 6 . . . 106 N HD22 . 17270 1 1036 . 1 1 87 87 ASN C C 13 178.983 0.010 . 1 2 . . . 106 N C . 17270 1 1037 . 1 1 87 87 ASN CA C 13 57.182 0.051 . 1 11 . . . 106 N CA . 17270 1 1038 . 1 1 87 87 ASN CB C 13 38.464 0.037 . 1 7 . . . 106 N CB . 17270 1 1039 . 1 1 87 87 ASN N N 15 116.585 0.060 . 1 22 . . . 106 N N . 17270 1 1040 . 1 1 87 87 ASN ND2 N 15 111.996 0.188 . 1 13 . . . 106 N ND2 . 17270 1 1041 . 1 1 88 88 THR H H 1 9.033 0.011 . 1 28 . . . 107 T HN . 17270 1 1042 . 1 1 88 88 THR HA H 1 3.830 0.007 . 1 7 . . . 107 T HA . 17270 1 1043 . 1 1 88 88 THR HB H 1 4.311 0.011 . 1 8 . . . 107 T HB . 17270 1 1044 . 1 1 88 88 THR HG21 H 1 1.291 0.020 . 2 11 . . . 107 T HG21 . 17270 1 1045 . 1 1 88 88 THR HG22 H 1 1.291 0.020 . 2 11 . . . 107 T HG21 . 17270 1 1046 . 1 1 88 88 THR HG23 H 1 1.291 0.020 . 2 11 . . . 107 T HG21 . 17270 1 1047 . 1 1 88 88 THR C C 13 174.285 0.027 . 1 2 . . . 107 T C . 17270 1 1048 . 1 1 88 88 THR CA C 13 66.529 0.030 . 1 7 . . . 107 T CA . 17270 1 1049 . 1 1 88 88 THR CB C 13 68.791 0.122 . 1 8 . . . 107 T CB . 17270 1 1050 . 1 1 88 88 THR CG2 C 13 22.781 0.000 . 1 1 . . . 107 T CG2 . 17270 1 1051 . 1 1 88 88 THR N N 15 121.534 0.033 . 1 23 . . . 107 T N . 17270 1 1052 . 1 1 89 89 MET H H 1 7.857 0.007 . 1 28 . . . 108 M HN . 17270 1 1053 . 1 1 89 89 MET HA H 1 3.562 0.010 . 1 15 . . . 108 M HA . 17270 1 1054 . 1 1 89 89 MET HB2 H 1 2.022 0.016 . 2 8 . . . 108 M HB2 . 17270 1 1055 . 1 1 89 89 MET HE1 H 1 1.792 0.000 . 2 1 . . . 108 M HE1 . 17270 1 1056 . 1 1 89 89 MET HE2 H 1 1.792 0.000 . 2 1 . . . 108 M HE1 . 17270 1 1057 . 1 1 89 89 MET HE3 H 1 1.792 0.000 . 2 1 . . . 108 M HE1 . 17270 1 1058 . 1 1 89 89 MET HG2 H 1 2.562 0.007 . 2 3 . . . 108 M HG2 . 17270 1 1059 . 1 1 89 89 MET C C 13 179.073 0.006 . 1 2 . . . 108 M C . 17270 1 1060 . 1 1 89 89 MET CA C 13 60.179 0.076 . 1 14 . . . 108 M CA . 17270 1 1061 . 1 1 89 89 MET CB C 13 34.176 0.060 . 1 7 . . . 108 M CB . 17270 1 1062 . 1 1 89 89 MET CE C 13 17.897 0.000 . 1 1 . . . 108 M CE . 17270 1 1063 . 1 1 89 89 MET CG C 13 31.505 0.174 . 1 4 . . . 108 M CG . 17270 1 1064 . 1 1 89 89 MET N N 15 120.727 0.042 . 1 24 . . . 108 M N . 17270 1 1065 . 1 1 90 90 PHE H H 1 8.077 0.007 . 1 23 . . . 109 F HN . 17270 1 1066 . 1 1 90 90 PHE HA H 1 3.861 0.017 . 1 6 . . . 109 F HA . 17270 1 1067 . 1 1 90 90 PHE HB2 H 1 2.896 0.010 . 2 6 . . . 109 F HB2 . 17270 1 1068 . 1 1 90 90 PHE HD1 H 1 6.911 0.014 . 3 8 . . . 109 F HD1 . 17270 1 1069 . 1 1 90 90 PHE HE1 H 1 6.462 0.026 . 3 18 . . . 109 F HE1 . 17270 1 1070 . 1 1 90 90 PHE C C 13 176.129 0.003 . 1 2 . . . 109 F C . 17270 1 1071 . 1 1 90 90 PHE CA C 13 61.754 0.056 . 1 5 . . . 109 F CA . 17270 1 1072 . 1 1 90 90 PHE CB C 13 37.758 0.077 . 1 4 . . . 109 F CB . 17270 1 1073 . 1 1 90 90 PHE CD1 C 13 131.678 0.100 . 3 3 . . . 109 F CD1 . 17270 1 1074 . 1 1 90 90 PHE CD2 C 13 131.747 0.000 . 3 1 . . . 109 F CD2 . 17270 1 1075 . 1 1 90 90 PHE CE1 C 13 130.462 0.060 . 3 4 . . . 109 F CE1 . 17270 1 1076 . 1 1 90 90 PHE CE2 C 13 130.472 0.000 . 3 1 . . . 109 F CE2 . 17270 1 1077 . 1 1 90 90 PHE N N 15 117.232 0.074 . 1 20 . . . 109 F N . 17270 1 1078 . 1 1 91 91 THR H H 1 8.672 0.011 . 1 21 . . . 110 T HN . 17270 1 1079 . 1 1 91 91 THR HA H 1 3.890 0.013 . 1 7 . . . 110 T HA . 17270 1 1080 . 1 1 91 91 THR HB H 1 4.324 0.010 . 1 3 . . . 110 T HB . 17270 1 1081 . 1 1 91 91 THR HG21 H 1 1.433 0.008 . 2 10 . . . 110 T HG21 . 17270 1 1082 . 1 1 91 91 THR HG22 H 1 1.433 0.008 . 2 10 . . . 110 T HG21 . 17270 1 1083 . 1 1 91 91 THR HG23 H 1 1.433 0.008 . 2 10 . . . 110 T HG21 . 17270 1 1084 . 1 1 91 91 THR C C 13 176.550 0.000 . 1 1 . . . 110 T C . 17270 1 1085 . 1 1 91 91 THR CA C 13 67.269 0.056 . 1 5 . . . 110 T CA . 17270 1 1086 . 1 1 91 91 THR CB C 13 68.844 0.031 . 1 3 . . . 110 T CB . 17270 1 1087 . 1 1 91 91 THR CG2 C 13 21.947 0.047 . 1 2 . . . 110 T CG2 . 17270 1 1088 . 1 1 91 91 THR N N 15 113.277 0.053 . 1 17 . . . 110 T N . 17270 1 1089 . 1 1 92 92 ASN H H 1 8.835 0.004 . 1 29 . . . 111 N HN . 17270 1 1090 . 1 1 92 92 ASN HA H 1 4.324 0.018 . 1 5 . . . 111 N HA . 17270 1 1091 . 1 1 92 92 ASN HB2 H 1 2.930 0.021 . 2 4 . . . 111 N HB2 . 17270 1 1092 . 1 1 92 92 ASN HB3 H 1 2.608 0.028 . 2 5 . . . 111 N HB3 . 17270 1 1093 . 1 1 92 92 ASN HD21 H 1 6.720 0.016 . 2 2 . . . 111 N HD21 . 17270 1 1094 . 1 1 92 92 ASN HD22 H 1 7.427 0.000 . 2 1 . . . 111 N HD22 . 17270 1 1095 . 1 1 92 92 ASN C C 13 176.167 0.002 . 1 2 . . . 111 N C . 17270 1 1096 . 1 1 92 92 ASN CA C 13 55.073 0.037 . 1 4 . . . 111 N CA . 17270 1 1097 . 1 1 92 92 ASN CB C 13 38.054 0.066 . 1 5 . . . 111 N CB . 17270 1 1098 . 1 1 92 92 ASN N N 15 119.294 0.040 . 1 27 . . . 111 N N . 17270 1 1099 . 1 1 93 93 CYS H H 1 6.939 0.007 . 1 23 . . . 112 C HN . 17270 1 1100 . 1 1 93 93 CYS HA H 1 4.178 0.014 . 1 8 . . . 112 C HA . 17270 1 1101 . 1 1 93 93 CYS HB2 H 1 3.172 0.009 . 2 10 . . . 112 C HB2 . 17270 1 1102 . 1 1 93 93 CYS HB3 H 1 3.076 0.018 . 2 6 . . . 112 C HB3 . 17270 1 1103 . 1 1 93 93 CYS HG H 1 2.865 0.022 . 1 2 . . . 112 C HG . 17270 1 1104 . 1 1 93 93 CYS C C 13 177.279 0.010 . 1 2 . . . 112 C C . 17270 1 1105 . 1 1 93 93 CYS CA C 13 62.124 0.135 . 1 8 . . . 112 C CA . 17270 1 1106 . 1 1 93 93 CYS CB C 13 25.883 0.057 . 1 13 . . . 112 C CB . 17270 1 1107 . 1 1 93 93 CYS N N 15 118.111 0.055 . 1 20 . . . 112 C N . 17270 1 1108 . 1 1 94 94 TYR H H 1 7.722 0.004 . 1 18 . . . 113 Y HN . 17270 1 1109 . 1 1 94 94 TYR HA H 1 4.802 0.018 . 1 14 . . . 113 Y HA . 17270 1 1110 . 1 1 94 94 TYR HB2 H 1 3.357 0.010 . 2 7 . . . 113 Y HB2 . 17270 1 1111 . 1 1 94 94 TYR HB3 H 1 3.255 0.021 . 2 6 . . . 113 Y HB3 . 17270 1 1112 . 1 1 94 94 TYR HD1 H 1 7.054 0.014 . 3 13 . . . 113 Y HD1 . 17270 1 1113 . 1 1 94 94 TYR HE1 H 1 6.986 0.007 . 3 12 . . . 113 Y HE1 . 17270 1 1114 . 1 1 94 94 TYR C C 13 178.346 0.025 . 1 2 . . . 113 Y C . 17270 1 1115 . 1 1 94 94 TYR CA C 13 56.531 0.023 . 1 9 . . . 113 Y CA . 17270 1 1116 . 1 1 94 94 TYR CB C 13 36.351 0.114 . 1 8 . . . 113 Y CB . 17270 1 1117 . 1 1 94 94 TYR CD1 C 13 131.782 0.201 . 3 6 . . . 113 Y CD1 . 17270 1 1118 . 1 1 94 94 TYR CD2 C 13 131.333 0.000 . 3 1 . . . 113 Y CD2 . 17270 1 1119 . 1 1 94 94 TYR CE1 C 13 118.143 0.035 . 3 7 . . . 113 Y CE1 . 17270 1 1120 . 1 1 94 94 TYR CE2 C 13 118.145 0.000 . 3 1 . . . 113 Y CE2 . 17270 1 1121 . 1 1 94 94 TYR N N 15 118.770 0.046 . 1 16 . . . 113 Y N . 17270 1 1122 . 1 1 95 95 ILE H H 1 8.673 0.003 . 1 21 . . . 114 I HN . 17270 1 1123 . 1 1 95 95 ILE HA H 1 4.024 0.007 . 1 14 . . . 114 I HA . 17270 1 1124 . 1 1 95 95 ILE HB H 1 1.930 0.019 . 1 13 . . . 114 I HB . 17270 1 1125 . 1 1 95 95 ILE HD11 H 1 0.880 0.005 . 2 7 . . . 114 I HD11 . 17270 1 1126 . 1 1 95 95 ILE HD12 H 1 0.880 0.005 . 2 7 . . . 114 I HD11 . 17270 1 1127 . 1 1 95 95 ILE HD13 H 1 0.880 0.005 . 2 7 . . . 114 I HD11 . 17270 1 1128 . 1 1 95 95 ILE HG12 H 1 1.230 0.003 . 2 6 . . . 114 I HG12 . 17270 1 1129 . 1 1 95 95 ILE HG13 H 1 1.836 0.008 . 2 6 . . . 114 I HG13 . 17270 1 1130 . 1 1 95 95 ILE HG21 H 1 0.843 0.002 . 2 8 . . . 114 I HG21 . 17270 1 1131 . 1 1 95 95 ILE HG22 H 1 0.843 0.002 . 2 8 . . . 114 I HG21 . 17270 1 1132 . 1 1 95 95 ILE HG23 H 1 0.843 0.002 . 2 8 . . . 114 I HG21 . 17270 1 1133 . 1 1 95 95 ILE C C 13 178.374 0.012 . 1 2 . . . 114 I C . 17270 1 1134 . 1 1 95 95 ILE CA C 13 63.820 0.063 . 1 16 . . . 114 I CA . 17270 1 1135 . 1 1 95 95 ILE CB C 13 38.526 0.041 . 1 13 . . . 114 I CB . 17270 1 1136 . 1 1 95 95 ILE CD1 C 13 13.450 0.053 . 1 10 . . . 114 I CD1 . 17270 1 1137 . 1 1 95 95 ILE CG1 C 13 28.641 0.096 . 1 13 . . . 114 I CG1 . 17270 1 1138 . 1 1 95 95 ILE CG2 C 13 17.255 0.101 . 1 15 . . . 114 I CG2 . 17270 1 1139 . 1 1 95 95 ILE N N 15 118.386 0.072 . 1 20 . . . 114 I N . 17270 1 1140 . 1 1 96 96 TYR H H 1 8.227 0.014 . 1 15 . . . 115 Y HN . 17270 1 1141 . 1 1 96 96 TYR HA H 1 4.034 0.006 . 1 10 . . . 115 Y HA . 17270 1 1142 . 1 1 96 96 TYR HB2 H 1 2.989 0.007 . 2 5 . . . 115 Y HB2 . 17270 1 1143 . 1 1 96 96 TYR HB3 H 1 2.955 0.012 . 2 5 . . . 115 Y HB3 . 17270 1 1144 . 1 1 96 96 TYR HD1 H 1 6.953 0.024 . 3 12 . . . 115 Y HD1 . 17270 1 1145 . 1 1 96 96 TYR HE1 H 1 6.675 0.011 . 3 9 . . . 115 Y HE1 . 17270 1 1146 . 1 1 96 96 TYR C C 13 175.287 0.000 . 1 1 . . . 115 Y C . 17270 1 1147 . 1 1 96 96 TYR CA C 13 62.304 0.071 . 1 12 . . . 115 Y CA . 17270 1 1148 . 1 1 96 96 TYR CB C 13 40.125 0.041 . 1 8 . . . 115 Y CB . 17270 1 1149 . 1 1 96 96 TYR CD1 C 13 133.081 0.000 . 3 1 . . . 115 Y CD1 . 17270 1 1150 . 1 1 96 96 TYR CD2 C 13 133.081 0.000 . 3 1 . . . 115 Y CD2 . 17270 1 1151 . 1 1 96 96 TYR CE1 C 13 118.058 0.058 . 3 6 . . . 115 Y CE1 . 17270 1 1152 . 1 1 96 96 TYR CE2 C 13 118.046 0.000 . 3 1 . . . 115 Y CE2 . 17270 1 1153 . 1 1 96 96 TYR N N 15 117.990 0.104 . 1 10 . . . 115 Y N . 17270 1 1154 . 1 1 97 97 ASN H H 1 7.451 0.008 . 1 24 . . . 116 N HN . 17270 1 1155 . 1 1 97 97 ASN HA H 1 4.688 0.017 . 1 8 . . . 116 N HA . 17270 1 1156 . 1 1 97 97 ASN HB2 H 1 2.798 0.025 . 2 7 . . . 116 N HB2 . 17270 1 1157 . 1 1 97 97 ASN HD21 H 1 8.777 0.000 . 2 1 . . . 116 N HD21 . 17270 1 1158 . 1 1 97 97 ASN C C 13 174.010 0.016 . 1 2 . . . 116 N C . 17270 1 1159 . 1 1 97 97 ASN CA C 13 52.711 0.100 . 1 8 . . . 116 N CA . 17270 1 1160 . 1 1 97 97 ASN CB C 13 42.328 0.119 . 1 5 . . . 116 N CB . 17270 1 1161 . 1 1 97 97 ASN N N 15 113.629 0.053 . 1 23 . . . 116 N N . 17270 1 1162 . 1 1 98 98 LYS H H 1 8.522 0.003 . 1 17 . . . 117 K HN . 17270 1 1163 . 1 1 98 98 LYS HA H 1 4.526 0.012 . 1 11 . . . 117 K HA . 17270 1 1164 . 1 1 98 98 LYS HB2 H 1 1.819 0.021 . 2 8 . . . 117 K HB2 . 17270 1 1165 . 1 1 98 98 LYS HD2 H 1 1.721 0.000 . 2 3 . . . 117 K HD2 . 17270 1 1166 . 1 1 98 98 LYS HE2 H 1 3.028 0.003 . 2 3 . . . 117 K HE2 . 17270 1 1167 . 1 1 98 98 LYS HG2 H 1 1.540 0.019 . 2 5 . . . 117 K HG2 . 17270 1 1168 . 1 1 98 98 LYS CA C 13 54.936 0.056 . 1 14 . . . 117 K CA . 17270 1 1169 . 1 1 98 98 LYS CB C 13 31.509 0.055 . 1 6 . . . 117 K CB . 17270 1 1170 . 1 1 98 98 LYS CD C 13 28.801 0.045 . 1 4 . . . 117 K CD . 17270 1 1171 . 1 1 98 98 LYS CE C 13 41.760 0.085 . 1 4 . . . 117 K CE . 17270 1 1172 . 1 1 98 98 LYS CG C 13 25.106 0.029 . 1 4 . . . 117 K CG . 17270 1 1173 . 1 1 98 98 LYS N N 15 121.806 0.075 . 1 15 . . . 117 K N . 17270 1 1174 . 1 1 99 99 PRO HA H 1 4.348 0.016 . 1 15 . . . 118 P HA . 17270 1 1175 . 1 1 99 99 PRO HB2 H 1 2.417 0.007 . 2 8 . . . 118 P HB2 . 17270 1 1176 . 1 1 99 99 PRO HB3 H 1 1.941 0.041 . 2 6 . . . 118 P HB3 . 17270 1 1177 . 1 1 99 99 PRO HD2 H 1 3.845 0.000 . 2 1 . . . 118 P HD2 . 17270 1 1178 . 1 1 99 99 PRO HG2 H 1 2.146 0.003 . 2 3 . . . 118 P HG2 . 17270 1 1179 . 1 1 99 99 PRO HG3 H 1 2.083 0.005 . 2 2 . . . 118 P HG3 . 17270 1 1180 . 1 1 99 99 PRO C C 13 176.178 0.000 . 1 1 . . . 118 P C . 17270 1 1181 . 1 1 99 99 PRO CA C 13 65.142 0.060 . 1 17 . . . 118 P CA . 17270 1 1182 . 1 1 99 99 PRO CB C 13 32.213 0.095 . 1 9 . . . 118 P CB . 17270 1 1183 . 1 1 99 99 PRO CD C 13 50.692 0.066 . 1 2 . . . 118 P CD . 17270 1 1184 . 1 1 99 99 PRO CG C 13 27.499 0.076 . 1 4 . . . 118 P CG . 17270 1 1185 . 1 1 100 100 THR H H 1 6.819 0.008 . 1 30 . . . 119 T HN . 17270 1 1186 . 1 1 100 100 THR HA H 1 4.241 0.018 . 1 12 . . . 119 T HA . 17270 1 1187 . 1 1 100 100 THR HB H 1 4.559 0.002 . 1 7 . . . 119 T HB . 17270 1 1188 . 1 1 100 100 THR HG21 H 1 1.178 0.002 . 2 8 . . . 119 T HG21 . 17270 1 1189 . 1 1 100 100 THR HG22 H 1 1.178 0.002 . 2 8 . . . 119 T HG21 . 17270 1 1190 . 1 1 100 100 THR HG23 H 1 1.178 0.002 . 2 8 . . . 119 T HG21 . 17270 1 1191 . 1 1 100 100 THR C C 13 175.111 0.007 . 1 2 . . . 119 T C . 17270 1 1192 . 1 1 100 100 THR CA C 13 60.182 0.036 . 1 10 . . . 119 T CA . 17270 1 1193 . 1 1 100 100 THR CB C 13 68.960 0.048 . 1 10 . . . 119 T CB . 17270 1 1194 . 1 1 100 100 THR CG2 C 13 21.689 0.015 . 1 3 . . . 119 T CG2 . 17270 1 1195 . 1 1 100 100 THR N N 15 101.007 0.052 . 1 28 . . . 119 T N . 17270 1 1196 . 1 1 101 101 ASP H H 1 7.951 0.006 . 1 30 . . . 120 D HN . 17270 1 1197 . 1 1 101 101 ASP HA H 1 4.591 0.007 . 1 5 . . . 120 D HA . 17270 1 1198 . 1 1 101 101 ASP HB2 H 1 3.093 0.024 . 2 6 . . . 120 D HB2 . 17270 1 1199 . 1 1 101 101 ASP HB3 H 1 2.951 0.020 . 2 9 . . . 120 D HB3 . 17270 1 1200 . 1 1 101 101 ASP C C 13 177.271 0.000 . 1 1 . . . 120 D C . 17270 1 1201 . 1 1 101 101 ASP CA C 13 54.740 0.022 . 1 6 . . . 120 D CA . 17270 1 1202 . 1 1 101 101 ASP CB C 13 40.940 0.191 . 1 11 . . . 120 D CB . 17270 1 1203 . 1 1 101 101 ASP N N 15 124.468 0.041 . 1 26 . . . 120 D N . 17270 1 1204 . 1 1 102 102 ASP H H 1 9.277 0.022 . 1 6 . . . 121 D HN . 17270 1 1205 . 1 1 102 102 ASP HA H 1 4.219 0.005 . 1 7 . . . 121 D HA . 17270 1 1206 . 1 1 102 102 ASP HB2 H 1 2.647 0.014 . 2 11 . . . 121 D HB2 . 17270 1 1207 . 1 1 102 102 ASP HB3 H 1 2.541 0.013 . 2 13 . . . 121 D HB3 . 17270 1 1208 . 1 1 102 102 ASP C C 13 178.564 0.000 . 1 1 . . . 121 D C . 17270 1 1209 . 1 1 102 102 ASP CA C 13 57.793 0.035 . 1 10 . . . 121 D CA . 17270 1 1210 . 1 1 102 102 ASP CB C 13 40.784 0.075 . 1 21 . . . 121 D CB . 17270 1 1211 . 1 1 102 102 ASP N N 15 123.582 0.111 . 1 3 . . . 121 D N . 17270 1 1212 . 1 1 103 103 ILE H H 1 8.546 0.005 . 1 14 . . . 122 I HN . 17270 1 1213 . 1 1 103 103 ILE HA H 1 4.140 0.013 . 1 14 . . . 122 I HA . 17270 1 1214 . 1 1 103 103 ILE HB H 1 1.756 0.013 . 1 11 . . . 122 I HB . 17270 1 1215 . 1 1 103 103 ILE HD11 H 1 0.520 0.014 . 2 22 . . . 122 I HD11 . 17270 1 1216 . 1 1 103 103 ILE HD12 H 1 0.520 0.014 . 2 22 . . . 122 I HD11 . 17270 1 1217 . 1 1 103 103 ILE HD13 H 1 0.520 0.014 . 2 22 . . . 122 I HD11 . 17270 1 1218 . 1 1 103 103 ILE HG12 H 1 1.344 0.014 . 2 12 . . . 122 I HG12 . 17270 1 1219 . 1 1 103 103 ILE HG13 H 1 1.084 0.007 . 2 5 . . . 122 I HG13 . 17270 1 1220 . 1 1 103 103 ILE HG21 H 1 0.852 0.036 . 2 17 . . . 122 I HG21 . 17270 1 1221 . 1 1 103 103 ILE HG22 H 1 0.852 0.036 . 2 17 . . . 122 I HG21 . 17270 1 1222 . 1 1 103 103 ILE HG23 H 1 0.852 0.036 . 2 17 . . . 122 I HG21 . 17270 1 1223 . 1 1 103 103 ILE C C 13 175.571 0.000 . 1 1 . . . 122 I C . 17270 1 1224 . 1 1 103 103 ILE CA C 13 61.239 0.053 . 1 15 . . . 122 I CA . 17270 1 1225 . 1 1 103 103 ILE CB C 13 37.333 0.063 . 1 15 . . . 122 I CB . 17270 1 1226 . 1 1 103 103 ILE CD1 C 13 15.224 0.107 . 1 17 . . . 122 I CD1 . 17270 1 1227 . 1 1 103 103 ILE CG1 C 13 28.962 0.113 . 1 13 . . . 122 I CG1 . 17270 1 1228 . 1 1 103 103 ILE CG2 C 13 19.806 0.251 . 1 16 . . . 122 I CG2 . 17270 1 1229 . 1 1 103 103 ILE N N 15 115.152 0.044 . 1 14 . . . 122 I N . 17270 1 1230 . 1 1 104 104 VAL H H 1 6.961 0.006 . 1 26 . . . 123 V HN . 17270 1 1231 . 1 1 104 104 VAL HA H 1 3.831 0.006 . 1 14 . . . 123 V HA . 17270 1 1232 . 1 1 104 104 VAL HB H 1 2.289 0.005 . 1 9 . . . 123 V HB . 17270 1 1233 . 1 1 104 104 VAL HG11 H 1 1.144 0.011 . 2 15 . . . 123 V HG11 . 17270 1 1234 . 1 1 104 104 VAL HG12 H 1 1.144 0.011 . 2 15 . . . 123 V HG11 . 17270 1 1235 . 1 1 104 104 VAL HG13 H 1 1.144 0.011 . 2 15 . . . 123 V HG11 . 17270 1 1236 . 1 1 104 104 VAL HG21 H 1 1.067 0.017 . 2 9 . . . 123 V HG21 . 17270 1 1237 . 1 1 104 104 VAL HG22 H 1 1.067 0.017 . 2 9 . . . 123 V HG21 . 17270 1 1238 . 1 1 104 104 VAL HG23 H 1 1.067 0.017 . 2 9 . . . 123 V HG21 . 17270 1 1239 . 1 1 104 104 VAL C C 13 177.286 0.007 . 1 2 . . . 123 V C . 17270 1 1240 . 1 1 104 104 VAL CA C 13 67.000 0.050 . 1 11 . . . 123 V CA . 17270 1 1241 . 1 1 104 104 VAL CB C 13 31.208 0.100 . 1 8 . . . 123 V CB . 17270 1 1242 . 1 1 104 104 VAL CG1 C 13 26.398 0.053 . 2 14 . . . 123 V CG1 . 17270 1 1243 . 1 1 104 104 VAL CG2 C 13 21.671 0.058 . 2 6 . . . 123 V CG2 . 17270 1 1244 . 1 1 104 104 VAL N N 15 123.401 0.070 . 1 23 . . . 123 V N . 17270 1 1245 . 1 1 105 105 LEU H H 1 7.209 0.005 . 1 25 . . . 124 L HN . 17270 1 1246 . 1 1 105 105 LEU HA H 1 4.118 0.004 . 1 14 . . . 124 L HA . 17270 1 1247 . 1 1 105 105 LEU HB2 H 1 1.808 0.016 . 2 6 . . . 124 L HB2 . 17270 1 1248 . 1 1 105 105 LEU HB3 H 1 1.561 0.024 . 2 9 . . . 124 L HB3 . 17270 1 1249 . 1 1 105 105 LEU HD11 H 1 0.896 0.006 . 2 5 . . . 124 L HD11 . 17270 1 1250 . 1 1 105 105 LEU HD12 H 1 0.896 0.006 . 2 5 . . . 124 L HD11 . 17270 1 1251 . 1 1 105 105 LEU HD13 H 1 0.896 0.006 . 2 5 . . . 124 L HD11 . 17270 1 1252 . 1 1 105 105 LEU HD21 H 1 0.871 0.016 . 2 11 . . . 124 L HD21 . 17270 1 1253 . 1 1 105 105 LEU HD22 H 1 0.871 0.016 . 2 11 . . . 124 L HD21 . 17270 1 1254 . 1 1 105 105 LEU HD23 H 1 0.871 0.016 . 2 11 . . . 124 L HD21 . 17270 1 1255 . 1 1 105 105 LEU HG H 1 1.775 0.001 . 1 5 . . . 124 L HG . 17270 1 1256 . 1 1 105 105 LEU C C 13 181.245 0.011 . 1 2 . . . 124 L C . 17270 1 1257 . 1 1 105 105 LEU CA C 13 58.016 0.027 . 1 11 . . . 124 L CA . 17270 1 1258 . 1 1 105 105 LEU CB C 13 40.788 0.069 . 1 11 . . . 124 L CB . 17270 1 1259 . 1 1 105 105 LEU CD1 C 13 25.214 0.050 . 2 9 . . . 124 L CD1 . 17270 1 1260 . 1 1 105 105 LEU CD2 C 13 23.213 0.049 . 2 9 . . . 124 L CD2 . 17270 1 1261 . 1 1 105 105 LEU CG C 13 27.489 0.078 . 1 10 . . . 124 L CG . 17270 1 1262 . 1 1 105 105 LEU N N 15 121.041 0.048 . 1 22 . . . 124 L N . 17270 1 1263 . 1 1 106 106 MET H H 1 8.191 0.007 . 1 23 . . . 125 M HN . 17270 1 1264 . 1 1 106 106 MET HA H 1 3.746 0.012 . 1 17 . . . 125 M HA . 17270 1 1265 . 1 1 106 106 MET HB2 H 1 2.257 0.031 . 2 5 . . . 125 M HB2 . 17270 1 1266 . 1 1 106 106 MET HB3 H 1 2.144 0.011 . 2 4 . . . 125 M HB3 . 17270 1 1267 . 1 1 106 106 MET HE1 H 1 1.804 0.015 . 2 23 . . . 125 M HE1 . 17270 1 1268 . 1 1 106 106 MET HE2 H 1 1.804 0.015 . 2 23 . . . 125 M HE1 . 17270 1 1269 . 1 1 106 106 MET HE3 H 1 1.804 0.015 . 2 23 . . . 125 M HE1 . 17270 1 1270 . 1 1 106 106 MET HG2 H 1 2.323 0.025 . 2 6 . . . 125 M HG2 . 17270 1 1271 . 1 1 106 106 MET C C 13 177.142 0.017 . 1 2 . . . 125 M C . 17270 1 1272 . 1 1 106 106 MET CA C 13 59.415 0.069 . 1 16 . . . 125 M CA . 17270 1 1273 . 1 1 106 106 MET CB C 13 34.778 0.067 . 1 6 . . . 125 M CB . 17270 1 1274 . 1 1 106 106 MET CE C 13 17.092 0.085 . 1 16 . . . 125 M CE . 17270 1 1275 . 1 1 106 106 MET CG C 13 31.381 0.044 . 1 5 . . . 125 M CG . 17270 1 1276 . 1 1 106 106 MET N N 15 119.763 0.060 . 1 20 . . . 125 M N . 17270 1 1277 . 1 1 107 107 ALA H H 1 8.579 0.005 . 1 20 . . . 126 A HN . 17270 1 1278 . 1 1 107 107 ALA HA H 1 3.851 0.007 . 1 7 . . . 126 A HA . 17270 1 1279 . 1 1 107 107 ALA HB1 H 1 1.893 0.005 . 1 8 . . . 126 A HB1 . 17270 1 1280 . 1 1 107 107 ALA HB2 H 1 1.893 0.005 . 1 8 . . . 126 A HB1 . 17270 1 1281 . 1 1 107 107 ALA HB3 H 1 1.893 0.005 . 1 8 . . . 126 A HB1 . 17270 1 1282 . 1 1 107 107 ALA C C 13 178.757 0.008 . 1 3 . . . 126 A C . 17270 1 1283 . 1 1 107 107 ALA CA C 13 55.841 0.053 . 1 7 . . . 126 A CA . 17270 1 1284 . 1 1 107 107 ALA CB C 13 19.661 0.064 . 1 7 . . . 126 A CB . 17270 1 1285 . 1 1 107 107 ALA N N 15 121.898 0.051 . 1 16 . . . 126 A N . 17270 1 1286 . 1 1 108 108 GLN H H 1 8.924 0.003 . 1 28 . . . 127 Q HN . 17270 1 1287 . 1 1 108 108 GLN HA H 1 4.125 0.008 . 1 6 . . . 127 Q HA . 17270 1 1288 . 1 1 108 108 GLN HB2 H 1 2.294 0.012 . 2 11 . . . 127 Q HB2 . 17270 1 1289 . 1 1 108 108 GLN HB3 H 1 1.874 0.004 . 2 3 . . . 127 Q HB3 . 17270 1 1290 . 1 1 108 108 GLN HE21 H 1 7.386 0.008 . 2 9 . . . 127 Q HE21 . 17270 1 1291 . 1 1 108 108 GLN HE22 H 1 6.771 0.002 . 2 7 . . . 127 Q HE22 . 17270 1 1292 . 1 1 108 108 GLN HG2 H 1 3.147 0.000 . 2 1 . . . 127 Q HG2 . 17270 1 1293 . 1 1 108 108 GLN C C 13 180.093 0.006 . 1 2 . . . 127 Q C . 17270 1 1294 . 1 1 108 108 GLN CA C 13 58.841 0.057 . 1 7 . . . 127 Q CA . 17270 1 1295 . 1 1 108 108 GLN CB C 13 28.349 0.071 . 1 12 . . . 127 Q CB . 17270 1 1296 . 1 1 108 108 GLN CG C 13 34.455 0.178 . 1 3 . . . 127 Q CG . 17270 1 1297 . 1 1 108 108 GLN N N 15 116.026 0.035 . 1 26 . . . 127 Q N . 17270 1 1298 . 1 1 108 108 GLN NE2 N 15 110.653 0.185 . 1 13 . . . 127 Q NE2 . 17270 1 1299 . 1 1 109 109 ALA H H 1 7.612 0.012 . 1 31 . . . 128 A HN . 17270 1 1300 . 1 1 109 109 ALA HA H 1 4.196 0.008 . 1 9 . . . 128 A HA . 17270 1 1301 . 1 1 109 109 ALA HB1 H 1 1.799 0.018 . 1 12 . . . 128 A HB1 . 17270 1 1302 . 1 1 109 109 ALA HB2 H 1 1.799 0.018 . 1 12 . . . 128 A HB1 . 17270 1 1303 . 1 1 109 109 ALA HB3 H 1 1.799 0.018 . 1 12 . . . 128 A HB1 . 17270 1 1304 . 1 1 109 109 ALA C C 13 180.863 0.015 . 1 2 . . . 128 A C . 17270 1 1305 . 1 1 109 109 ALA CA C 13 54.874 0.041 . 1 5 . . . 128 A CA . 17270 1 1306 . 1 1 109 109 ALA CB C 13 18.100 0.061 . 1 7 . . . 128 A CB . 17270 1 1307 . 1 1 109 109 ALA N N 15 122.058 0.054 . 1 27 . . . 128 A N . 17270 1 1308 . 1 1 110 110 LEU H H 1 7.856 0.010 . 1 29 . . . 129 L HN . 17270 1 1309 . 1 1 110 110 LEU HA H 1 3.718 0.011 . 1 16 . . . 129 L HA . 17270 1 1310 . 1 1 110 110 LEU HB2 H 1 1.910 0.011 . 2 13 . . . 129 L HB2 . 17270 1 1311 . 1 1 110 110 LEU HB3 H 1 1.400 0.009 . 2 8 . . . 129 L HB3 . 17270 1 1312 . 1 1 110 110 LEU HD11 H 1 0.552 0.027 . 4 19 . . . 129 L HD11 . 17270 1 1313 . 1 1 110 110 LEU HD12 H 1 0.552 0.027 . 4 19 . . . 129 L HD11 . 17270 1 1314 . 1 1 110 110 LEU HD13 H 1 0.552 0.027 . 4 19 . . . 129 L HD11 . 17270 1 1315 . 1 1 110 110 LEU HG H 1 0.641 0.004 . 1 8 . . . 129 L HG . 17270 1 1316 . 1 1 110 110 LEU C C 13 178.471 0.005 . 1 2 . . . 129 L C . 17270 1 1317 . 1 1 110 110 LEU CA C 13 57.474 0.051 . 1 16 . . . 129 L CA . 17270 1 1318 . 1 1 110 110 LEU CB C 13 42.395 0.083 . 1 17 . . . 129 L CB . 17270 1 1319 . 1 1 110 110 LEU CD1 C 13 23.455 0.078 . 2 10 . . . 129 L CD1 . 17270 1 1320 . 1 1 110 110 LEU CD2 C 13 23.355 0.109 . 2 2 . . . 129 L CD2 . 17270 1 1321 . 1 1 110 110 LEU CG C 13 26.510 0.064 . 1 7 . . . 129 L CG . 17270 1 1322 . 1 1 110 110 LEU N N 15 119.125 0.036 . 1 20 . . . 129 L N . 17270 1 1323 . 1 1 111 111 GLU H H 1 9.113 0.007 . 1 36 . . . 130 E HN . 17270 1 1324 . 1 1 111 111 GLU HA H 1 3.202 0.010 . 1 16 . . . 130 E HA . 17270 1 1325 . 1 1 111 111 GLU HB2 H 1 1.672 0.004 . 2 3 . . . 130 E HB2 . 17270 1 1326 . 1 1 111 111 GLU HB3 H 1 0.650 0.010 . 2 3 . . . 130 E HB3 . 17270 1 1327 . 1 1 111 111 GLU HG2 H 1 1.461 0.002 . 2 3 . . . 130 E HG2 . 17270 1 1328 . 1 1 111 111 GLU C C 13 177.982 0.021 . 1 2 . . . 130 E C . 17270 1 1329 . 1 1 111 111 GLU CA C 13 59.133 0.074 . 1 13 . . . 130 E CA . 17270 1 1330 . 1 1 111 111 GLU CB C 13 28.645 0.115 . 1 5 . . . 130 E CB . 17270 1 1331 . 1 1 111 111 GLU CG C 13 35.873 0.099 . 1 5 . . . 130 E CG . 17270 1 1332 . 1 1 111 111 GLU N N 15 122.255 0.053 . 1 29 . . . 130 E N . 17270 1 1333 . 1 1 112 112 LYS H H 1 7.574 0.003 . 1 28 . . . 131 K HN . 17270 1 1334 . 1 1 112 112 LYS HA H 1 3.922 0.003 . 1 16 . . . 131 K HA . 17270 1 1335 . 1 1 112 112 LYS HB2 H 1 1.899 0.005 . 2 6 . . . 131 K HB2 . 17270 1 1336 . 1 1 112 112 LYS HD2 H 1 1.698 0.006 . 2 2 . . . 131 K HD2 . 17270 1 1337 . 1 1 112 112 LYS HE2 H 1 2.931 0.025 . 2 5 . . . 131 K HE2 . 17270 1 1338 . 1 1 112 112 LYS HG2 H 1 1.609 0.002 . 2 7 . . . 131 K HG2 . 17270 1 1339 . 1 1 112 112 LYS HG3 H 1 1.409 0.003 . 2 4 . . . 131 K HG3 . 17270 1 1340 . 1 1 112 112 LYS C C 13 179.527 0.012 . 1 3 . . . 131 K C . 17270 1 1341 . 1 1 112 112 LYS CA C 13 60.015 0.072 . 1 18 . . . 131 K CA . 17270 1 1342 . 1 1 112 112 LYS CB C 13 32.380 0.138 . 1 8 . . . 131 K CB . 17270 1 1343 . 1 1 112 112 LYS CD C 13 29.173 0.091 . 1 5 . . . 131 K CD . 17270 1 1344 . 1 1 112 112 LYS CE C 13 41.971 0.113 . 1 6 . . . 131 K CE . 17270 1 1345 . 1 1 112 112 LYS CG C 13 25.274 0.044 . 1 9 . . . 131 K CG . 17270 1 1346 . 1 1 112 112 LYS N N 15 117.739 0.029 . 1 26 . . . 131 K N . 17270 1 1347 . 1 1 113 113 ILE H H 1 7.048 0.003 . 1 30 . . . 132 I HN . 17270 1 1348 . 1 1 113 113 ILE HA H 1 3.818 0.010 . 1 15 . . . 132 I HA . 17270 1 1349 . 1 1 113 113 ILE HB H 1 1.923 0.011 . 1 11 . . . 132 I HB . 17270 1 1350 . 1 1 113 113 ILE HD11 H 1 0.885 0.013 . 2 4 . . . 132 I HD11 . 17270 1 1351 . 1 1 113 113 ILE HD12 H 1 0.885 0.013 . 2 4 . . . 132 I HD11 . 17270 1 1352 . 1 1 113 113 ILE HD13 H 1 0.885 0.013 . 2 4 . . . 132 I HD11 . 17270 1 1353 . 1 1 113 113 ILE HG12 H 1 1.687 0.005 . 2 6 . . . 132 I HG12 . 17270 1 1354 . 1 1 113 113 ILE HG13 H 1 1.273 0.013 . 2 5 . . . 132 I HG13 . 17270 1 1355 . 1 1 113 113 ILE HG21 H 1 0.920 0.009 . 2 11 . . . 132 I HG21 . 17270 1 1356 . 1 1 113 113 ILE HG22 H 1 0.920 0.009 . 2 11 . . . 132 I HG21 . 17270 1 1357 . 1 1 113 113 ILE HG23 H 1 0.920 0.009 . 2 11 . . . 132 I HG21 . 17270 1 1358 . 1 1 113 113 ILE C C 13 177.764 0.006 . 1 2 . . . 132 I C . 17270 1 1359 . 1 1 113 113 ILE CA C 13 64.177 0.052 . 1 16 . . . 132 I CA . 17270 1 1360 . 1 1 113 113 ILE CB C 13 37.628 0.071 . 1 11 . . . 132 I CB . 17270 1 1361 . 1 1 113 113 ILE CD1 C 13 13.352 0.172 . 1 5 . . . 132 I CD1 . 17270 1 1362 . 1 1 113 113 ILE CG1 C 13 28.343 0.085 . 1 8 . . . 132 I CG1 . 17270 1 1363 . 1 1 113 113 ILE CG2 C 13 17.820 0.046 . 1 11 . . . 132 I CG2 . 17270 1 1364 . 1 1 113 113 ILE N N 15 119.662 0.052 . 1 28 . . . 132 I N . 17270 1 1365 . 1 1 114 114 PHE H H 1 8.756 0.010 . 1 22 . . . 133 F HN . 17270 1 1366 . 1 1 114 114 PHE HA H 1 3.827 0.013 . 1 4 . . . 133 F HA . 17270 1 1367 . 1 1 114 114 PHE HB2 H 1 3.502 0.015 . 2 6 . . . 133 F HB2 . 17270 1 1368 . 1 1 114 114 PHE HB3 H 1 3.017 0.007 . 2 6 . . . 133 F HB3 . 17270 1 1369 . 1 1 114 114 PHE HD1 H 1 6.691 0.016 . 3 12 . . . 133 F HD1 . 17270 1 1370 . 1 1 114 114 PHE HE1 H 1 6.918 0.008 . 3 3 . . . 133 F HE1 . 17270 1 1371 . 1 1 114 114 PHE HZ H 1 6.403 0.005 . 1 6 . . . 133 F HZ . 17270 1 1372 . 1 1 114 114 PHE C C 13 176.112 0.033 . 1 3 . . . 133 F C . 17270 1 1373 . 1 1 114 114 PHE CA C 13 61.767 0.011 . 1 2 . . . 133 F CA . 17270 1 1374 . 1 1 114 114 PHE CB C 13 38.791 0.037 . 1 3 . . . 133 F CB . 17270 1 1375 . 1 1 114 114 PHE CD1 C 13 131.224 0.092 . 3 2 . . . 133 F CD1 . 17270 1 1376 . 1 1 114 114 PHE CD2 C 13 131.316 0.000 . 3 1 . . . 133 F CD2 . 17270 1 1377 . 1 1 114 114 PHE CZ C 13 127.209 0.067 . 1 6 . . . 133 F CZ . 17270 1 1378 . 1 1 114 114 PHE N N 15 121.753 0.060 . 1 20 . . . 133 F N . 17270 1 1379 . 1 1 115 115 LEU H H 1 8.728 0.005 . 1 22 . . . 134 L HN . 17270 1 1380 . 1 1 115 115 LEU HA H 1 3.657 0.011 . 1 16 . . . 134 L HA . 17270 1 1381 . 1 1 115 115 LEU HB2 H 1 1.867 0.014 . 2 8 . . . 134 L HB2 . 17270 1 1382 . 1 1 115 115 LEU HB3 H 1 1.349 0.018 . 2 7 . . . 134 L HB3 . 17270 1 1383 . 1 1 115 115 LEU HD11 H 1 2.009 0.007 . 2 8 . . . 134 L HD11 . 17270 1 1384 . 1 1 115 115 LEU HD12 H 1 2.009 0.007 . 2 8 . . . 134 L HD11 . 17270 1 1385 . 1 1 115 115 LEU HD13 H 1 2.009 0.007 . 2 8 . . . 134 L HD11 . 17270 1 1386 . 1 1 115 115 LEU HD21 H 1 0.875 0.024 . 2 4 . . . 134 L HD21 . 17270 1 1387 . 1 1 115 115 LEU HD22 H 1 0.875 0.024 . 2 4 . . . 134 L HD21 . 17270 1 1388 . 1 1 115 115 LEU HD23 H 1 0.875 0.024 . 2 4 . . . 134 L HD21 . 17270 1 1389 . 1 1 115 115 LEU HG H 1 0.905 0.020 . 1 7 . . . 134 L HG . 17270 1 1390 . 1 1 115 115 LEU C C 13 180.382 0.016 . 1 3 . . . 134 L C . 17270 1 1391 . 1 1 115 115 LEU CA C 13 57.686 0.047 . 1 18 . . . 134 L CA . 17270 1 1392 . 1 1 115 115 LEU CB C 13 41.615 0.109 . 1 10 . . . 134 L CB . 17270 1 1393 . 1 1 115 115 LEU CD1 C 13 26.998 0.099 . 2 7 . . . 134 L CD1 . 17270 1 1394 . 1 1 115 115 LEU CD2 C 13 21.894 0.072 . 2 5 . . . 134 L CD2 . 17270 1 1395 . 1 1 115 115 LEU CG C 13 25.487 0.069 . 1 5 . . . 134 L CG . 17270 1 1396 . 1 1 115 115 LEU N N 15 118.548 0.051 . 1 21 . . . 134 L N . 17270 1 1397 . 1 1 116 116 GLN H H 1 7.777 0.005 . 1 41 . . . 135 Q HN . 17270 1 1398 . 1 1 116 116 GLN HA H 1 4.039 0.015 . 1 15 . . . 135 Q HA . 17270 1 1399 . 1 1 116 116 GLN HB2 H 1 2.299 0.022 . 2 13 . . . 135 Q HB2 . 17270 1 1400 . 1 1 116 116 GLN HB3 H 1 2.184 0.016 . 2 5 . . . 135 Q HB3 . 17270 1 1401 . 1 1 116 116 GLN HE21 H 1 7.068 0.003 . 2 4 . . . 135 Q HE21 . 17270 1 1402 . 1 1 116 116 GLN HE22 H 1 6.730 0.000 . 2 4 . . . 135 Q HE22 . 17270 1 1403 . 1 1 116 116 GLN HG2 H 1 2.603 0.023 . 2 6 . . . 135 Q HG2 . 17270 1 1404 . 1 1 116 116 GLN C C 13 179.195 0.011 . 1 2 . . . 135 Q C . 17270 1 1405 . 1 1 116 116 GLN CA C 13 58.860 0.083 . 1 13 . . . 135 Q CA . 17270 1 1406 . 1 1 116 116 GLN CB C 13 28.257 0.145 . 1 10 . . . 135 Q CB . 17270 1 1407 . 1 1 116 116 GLN CG C 13 33.884 0.086 . 1 2 . . . 135 Q CG . 17270 1 1408 . 1 1 116 116 GLN N N 15 119.928 0.038 . 1 37 . . . 135 Q N . 17270 1 1409 . 1 1 116 116 GLN NE2 N 15 110.967 0.091 . 1 7 . . . 135 Q NE2 . 17270 1 1410 . 1 1 117 117 LYS H H 1 8.455 0.005 . 1 35 . . . 136 K HN . 17270 1 1411 . 1 1 117 117 LYS HA H 1 4.274 0.016 . 1 10 . . . 136 K HA . 17270 1 1412 . 1 1 117 117 LYS HB2 H 1 2.061 0.003 . 2 3 . . . 136 K HB2 . 17270 1 1413 . 1 1 117 117 LYS HB3 H 1 1.645 0.011 . 2 5 . . . 136 K HB3 . 17270 1 1414 . 1 1 117 117 LYS HD2 H 1 1.469 0.005 . 2 8 . . . 136 K HD2 . 17270 1 1415 . 1 1 117 117 LYS HE2 H 1 2.838 0.023 . 2 10 . . . 136 K HE2 . 17270 1 1416 . 1 1 117 117 LYS HG2 H 1 1.237 0.012 . 2 6 . . . 136 K HG2 . 17270 1 1417 . 1 1 117 117 LYS C C 13 182.142 0.013 . 1 2 . . . 136 K C . 17270 1 1418 . 1 1 117 117 LYS CA C 13 56.562 0.109 . 1 11 . . . 136 K CA . 17270 1 1419 . 1 1 117 117 LYS CB C 13 32.085 0.136 . 1 7 . . . 136 K CB . 17270 1 1420 . 1 1 117 117 LYS CD C 13 27.065 0.063 . 1 10 . . . 136 K CD . 17270 1 1421 . 1 1 117 117 LYS CE C 13 41.840 0.043 . 1 7 . . . 136 K CE . 17270 1 1422 . 1 1 117 117 LYS CG C 13 23.739 0.063 . 1 7 . . . 136 K CG . 17270 1 1423 . 1 1 117 117 LYS N N 15 115.175 0.035 . 1 32 . . . 136 K N . 17270 1 1424 . 1 1 118 118 VAL H H 1 9.015 0.004 . 1 35 . . . 137 V HN . 17270 1 1425 . 1 1 118 118 VAL HA H 1 3.680 0.013 . 1 21 . . . 137 V HA . 17270 1 1426 . 1 1 118 118 VAL HB H 1 1.866 0.012 . 1 10 . . . 137 V HB . 17270 1 1427 . 1 1 118 118 VAL HG11 H 1 0.680 0.015 . 2 17 . . . 137 V HG11 . 17270 1 1428 . 1 1 118 118 VAL HG12 H 1 0.680 0.015 . 2 17 . . . 137 V HG11 . 17270 1 1429 . 1 1 118 118 VAL HG13 H 1 0.680 0.015 . 2 17 . . . 137 V HG11 . 17270 1 1430 . 1 1 118 118 VAL HG21 H 1 0.452 0.023 . 2 20 . . . 137 V HG21 . 17270 1 1431 . 1 1 118 118 VAL HG22 H 1 0.452 0.023 . 2 20 . . . 137 V HG21 . 17270 1 1432 . 1 1 118 118 VAL HG23 H 1 0.452 0.023 . 2 20 . . . 137 V HG21 . 17270 1 1433 . 1 1 118 118 VAL C C 13 177.726 0.024 . 1 2 . . . 137 V C . 17270 1 1434 . 1 1 118 118 VAL CA C 13 66.680 0.060 . 1 18 . . . 137 V CA . 17270 1 1435 . 1 1 118 118 VAL CB C 13 31.195 0.102 . 1 10 . . . 137 V CB . 17270 1 1436 . 1 1 118 118 VAL CG1 C 13 21.783 0.106 . 2 5 . . . 137 V CG1 . 17270 1 1437 . 1 1 118 118 VAL CG2 C 13 22.193 0.171 . 2 12 . . . 137 V CG2 . 17270 1 1438 . 1 1 118 118 VAL N N 15 123.173 0.034 . 1 30 . . . 137 V N . 17270 1 1439 . 1 1 119 119 ALA H H 1 7.397 0.005 . 1 33 . . . 138 A HN . 17270 1 1440 . 1 1 119 119 ALA HA H 1 4.141 0.006 . 1 8 . . . 138 A HA . 17270 1 1441 . 1 1 119 119 ALA HB1 H 1 1.496 0.005 . 1 7 . . . 138 A HB1 . 17270 1 1442 . 1 1 119 119 ALA HB2 H 1 1.496 0.005 . 1 7 . . . 138 A HB1 . 17270 1 1443 . 1 1 119 119 ALA HB3 H 1 1.496 0.005 . 1 7 . . . 138 A HB1 . 17270 1 1444 . 1 1 119 119 ALA C C 13 178.222 0.014 . 1 3 . . . 138 A C . 17270 1 1445 . 1 1 119 119 ALA CA C 13 54.283 0.007 . 1 4 . . . 138 A CA . 17270 1 1446 . 1 1 119 119 ALA CB C 13 18.039 0.054 . 1 5 . . . 138 A CB . 17270 1 1447 . 1 1 119 119 ALA N N 15 122.480 0.047 . 1 29 . . . 138 A N . 17270 1 1448 . 1 1 120 120 GLN H H 1 6.855 0.008 . 1 32 . . . 139 Q HN . 17270 1 1449 . 1 1 120 120 GLN HA H 1 4.368 0.012 . 1 16 . . . 139 Q HA . 17270 1 1450 . 1 1 120 120 GLN HB2 H 1 2.419 0.013 . 2 9 . . . 139 Q HB2 . 17270 1 1451 . 1 1 120 120 GLN HB3 H 1 1.941 0.006 . 2 7 . . . 139 Q HB3 . 17270 1 1452 . 1 1 120 120 GLN HE21 H 1 7.445 0.000 . 2 5 . . . 139 Q HE21 . 17270 1 1453 . 1 1 120 120 GLN HE22 H 1 6.849 0.001 . 2 3 . . . 139 Q HE22 . 17270 1 1454 . 1 1 120 120 GLN HG2 H 1 2.348 0.004 . 2 5 . . . 139 Q HG2 . 17270 1 1455 . 1 1 120 120 GLN HG3 H 1 2.447 0.003 . 2 6 . . . 139 Q HG3 . 17270 1 1456 . 1 1 120 120 GLN C C 13 174.300 0.019 . 1 3 . . . 139 Q C . 17270 1 1457 . 1 1 120 120 GLN CA C 13 54.335 0.040 . 1 15 . . . 139 Q CA . 17270 1 1458 . 1 1 120 120 GLN CB C 13 29.231 0.097 . 1 13 . . . 139 Q CB . 17270 1 1459 . 1 1 120 120 GLN CG C 13 33.923 0.065 . 1 10 . . . 139 Q CG . 17270 1 1460 . 1 1 120 120 GLN N N 15 113.027 0.046 . 1 28 . . . 139 Q N . 17270 1 1461 . 1 1 120 120 GLN NE2 N 15 111.383 0.084 . 1 8 . . . 139 Q NE2 . 17270 1 1462 . 1 1 121 121 MET H H 1 7.057 0.009 . 1 35 . . . 140 M HN . 17270 1 1463 . 1 1 121 121 MET HA H 1 2.797 0.017 . 1 16 . . . 140 M HA . 17270 1 1464 . 1 1 121 121 MET HB2 H 1 1.578 0.022 . 2 10 . . . 140 M HB2 . 17270 1 1465 . 1 1 121 121 MET HB3 H 1 1.874 0.014 . 2 5 . . . 140 M HB3 . 17270 1 1466 . 1 1 121 121 MET HE1 H 1 2.052 0.012 . 2 7 . . . 140 M HE1 . 17270 1 1467 . 1 1 121 121 MET HE2 H 1 2.052 0.012 . 2 7 . . . 140 M HE1 . 17270 1 1468 . 1 1 121 121 MET HE3 H 1 2.052 0.012 . 2 7 . . . 140 M HE1 . 17270 1 1469 . 1 1 121 121 MET HG2 H 1 1.955 0.012 . 2 5 . . . 140 M HG2 . 17270 1 1470 . 1 1 121 121 MET HG3 H 1 2.598 0.009 . 2 7 . . . 140 M HG3 . 17270 1 1471 . 1 1 121 121 MET C C 13 173.074 0.000 . 1 1 . . . 140 M C . 17270 1 1472 . 1 1 121 121 MET CA C 13 53.972 0.032 . 1 17 . . . 140 M CA . 17270 1 1473 . 1 1 121 121 MET CB C 13 35.275 0.036 . 1 13 . . . 140 M CB . 17270 1 1474 . 1 1 121 121 MET CE C 13 16.899 0.022 . 1 6 . . . 140 M CE . 17270 1 1475 . 1 1 121 121 MET CG C 13 29.842 0.040 . 1 11 . . . 140 M CG . 17270 1 1476 . 1 1 121 121 MET N N 15 121.993 0.044 . 1 32 . . . 140 M N . 17270 1 1477 . 1 1 122 122 PRO HA H 1 4.258 0.003 . 1 11 . . . 141 P HA . 17270 1 1478 . 1 1 122 122 PRO HB2 H 1 2.377 0.007 . 2 5 . . . 141 P HB2 . 17270 1 1479 . 1 1 122 122 PRO HB3 H 1 1.735 0.007 . 2 6 . . . 141 P HB3 . 17270 1 1480 . 1 1 122 122 PRO HD2 H 1 3.254 0.000 . 2 1 . . . 141 P HD2 . 17270 1 1481 . 1 1 122 122 PRO HG2 H 1 1.629 0.000 . 2 1 . . . 141 P HG2 . 17270 1 1482 . 1 1 122 122 PRO C C 13 177.276 0.000 . 1 1 . . . 141 P C . 17270 1 1483 . 1 1 122 122 PRO CA C 13 63.207 0.053 . 1 11 . . . 141 P CA . 17270 1 1484 . 1 1 122 122 PRO CB C 13 31.871 0.050 . 1 6 . . . 141 P CB . 17270 1 1485 . 1 1 122 122 PRO CD C 13 50.584 0.071 . 1 2 . . . 141 P CD . 17270 1 1486 . 1 1 122 122 PRO CG C 13 27.787 0.000 . 1 1 . . . 141 P CG . 17270 1 1487 . 1 1 123 123 GLN H H 1 8.514 0.003 . 1 23 . . . 142 Q HN . 17270 1 1488 . 1 1 123 123 GLN HA H 1 3.824 0.013 . 1 18 . . . 142 Q HA . 17270 1 1489 . 1 1 123 123 GLN HB2 H 1 2.135 0.008 . 2 5 . . . 142 Q HB2 . 17270 1 1490 . 1 1 123 123 GLN HB3 H 1 1.951 0.008 . 2 6 . . . 142 Q HB3 . 17270 1 1491 . 1 1 123 123 GLN HE21 H 1 7.534 0.002 . 2 9 . . . 142 Q HE21 . 17270 1 1492 . 1 1 123 123 GLN HE22 H 1 6.902 0.002 . 2 8 . . . 142 Q HE22 . 17270 1 1493 . 1 1 123 123 GLN HG2 H 1 2.403 0.007 . 2 7 . . . 142 Q HG2 . 17270 1 1494 . 1 1 123 123 GLN C C 13 175.662 0.008 . 1 3 . . . 142 Q C . 17270 1 1495 . 1 1 123 123 GLN CA C 13 57.928 0.031 . 1 15 . . . 142 Q CA . 17270 1 1496 . 1 1 123 123 GLN CB C 13 29.347 0.059 . 1 8 . . . 142 Q CB . 17270 1 1497 . 1 1 123 123 GLN CG C 13 34.315 0.113 . 1 6 . . . 142 Q CG . 17270 1 1498 . 1 1 123 123 GLN N N 15 121.770 0.053 . 1 22 . . . 142 Q N . 17270 1 1499 . 1 1 123 123 GLN NE2 N 15 113.550 0.191 . 1 15 . . . 142 Q NE2 . 17270 1 1500 . 1 1 124 124 GLU H H 1 7.912 0.003 . 1 35 . . . 143 E HN . 17270 1 1501 . 1 1 124 124 GLU HA H 1 4.492 0.009 . 1 15 . . . 143 E HA . 17270 1 1502 . 1 1 124 124 GLU HB2 H 1 1.900 0.011 . 2 6 . . . 143 E HB2 . 17270 1 1503 . 1 1 124 124 GLU HB3 H 1 1.820 0.036 . 2 4 . . . 143 E HB3 . 17270 1 1504 . 1 1 124 124 GLU HG2 H 1 2.100 0.012 . 2 5 . . . 143 E HG2 . 17270 1 1505 . 1 1 124 124 GLU HG3 H 1 2.163 0.025 . 2 7 . . . 143 E HG3 . 17270 1 1506 . 1 1 124 124 GLU C C 13 174.555 0.019 . 1 3 . . . 143 E C . 17270 1 1507 . 1 1 124 124 GLU CA C 13 54.693 0.072 . 1 15 . . . 143 E CA . 17270 1 1508 . 1 1 124 124 GLU CB C 13 30.880 0.084 . 1 7 . . . 143 E CB . 17270 1 1509 . 1 1 124 124 GLU CG C 13 35.959 0.076 . 1 10 . . . 143 E CG . 17270 1 1510 . 1 1 124 124 GLU N N 15 118.900 0.029 . 1 34 . . . 143 E N . 17270 1 1511 . 1 1 125 125 GLU H H 1 8.844 0.005 . 1 28 . . . 144 E HN . 17270 1 1512 . 1 1 125 125 GLU HA H 1 4.875 0.015 . 1 16 . . . 144 E HA . 17270 1 1513 . 1 1 125 125 GLU HB2 H 1 1.744 0.025 . 2 3 . . . 144 E HB2 . 17270 1 1514 . 1 1 125 125 GLU HB3 H 1 2.095 0.008 . 2 3 . . . 144 E HB3 . 17270 1 1515 . 1 1 125 125 GLU HG2 H 1 1.930 0.009 . 2 3 . . . 144 E HG2 . 17270 1 1516 . 1 1 125 125 GLU HG3 H 1 2.108 0.003 . 2 3 . . . 144 E HG3 . 17270 1 1517 . 1 1 125 125 GLU C C 13 175.637 0.014 . 1 2 . . . 144 E C . 17270 1 1518 . 1 1 125 125 GLU CA C 13 56.376 0.056 . 1 13 . . . 144 E CA . 17270 1 1519 . 1 1 125 125 GLU CB C 13 29.855 0.069 . 1 7 . . . 144 E CB . 17270 1 1520 . 1 1 125 125 GLU CG C 13 38.507 0.107 . 1 10 . . . 144 E CG . 17270 1 1521 . 1 1 125 125 GLU N N 15 127.583 0.017 . 1 26 . . . 144 E N . 17270 1 1522 . 1 1 126 126 VAL H H 1 8.771 0.003 . 1 24 . . . 145 V HN . 17270 1 1523 . 1 1 126 126 VAL HA H 1 4.398 0.014 . 1 17 . . . 145 V HA . 17270 1 1524 . 1 1 126 126 VAL HB H 1 1.893 0.004 . 1 8 . . . 145 V HB . 17270 1 1525 . 1 1 126 126 VAL HG11 H 1 0.903 0.014 . 2 8 . . . 145 V HG11 . 17270 1 1526 . 1 1 126 126 VAL HG12 H 1 0.903 0.014 . 2 8 . . . 145 V HG11 . 17270 1 1527 . 1 1 126 126 VAL HG13 H 1 0.903 0.014 . 2 8 . . . 145 V HG11 . 17270 1 1528 . 1 1 126 126 VAL HG21 H 1 0.813 0.015 . 2 13 . . . 145 V HG21 . 17270 1 1529 . 1 1 126 126 VAL HG22 H 1 0.813 0.015 . 2 13 . . . 145 V HG21 . 17270 1 1530 . 1 1 126 126 VAL HG23 H 1 0.813 0.015 . 2 13 . . . 145 V HG21 . 17270 1 1531 . 1 1 126 126 VAL C C 13 174.530 0.011 . 1 2 . . . 145 V C . 17270 1 1532 . 1 1 126 126 VAL CA C 13 59.858 0.023 . 1 13 . . . 145 V CA . 17270 1 1533 . 1 1 126 126 VAL CB C 13 35.478 0.099 . 1 9 . . . 145 V CB . 17270 1 1534 . 1 1 126 126 VAL CG1 C 13 21.052 0.055 . 2 7 . . . 145 V CG1 . 17270 1 1535 . 1 1 126 126 VAL CG2 C 13 19.492 0.038 . 2 10 . . . 145 V CG2 . 17270 1 1536 . 1 1 126 126 VAL N N 15 126.851 0.067 . 1 24 . . . 145 V N . 17270 1 1537 . 1 1 127 127 GLU H H 1 8.685 0.003 . 1 22 . . . 146 E HN . 17270 1 1538 . 1 1 127 127 GLU HA H 1 4.288 0.016 . 1 11 . . . 146 E HA . 17270 1 1539 . 1 1 127 127 GLU HB2 H 1 1.996 0.016 . 2 4 . . . 146 E HB2 . 17270 1 1540 . 1 1 127 127 GLU HB3 H 1 1.847 0.017 . 2 9 . . . 146 E HB3 . 17270 1 1541 . 1 1 127 127 GLU HG2 H 1 2.476 0.017 . 2 6 . . . 146 E HG2 . 17270 1 1542 . 1 1 127 127 GLU HG3 H 1 2.354 0.017 . 2 7 . . . 146 E HG3 . 17270 1 1543 . 1 1 127 127 GLU C C 13 175.188 0.079 . 1 3 . . . 146 E C . 17270 1 1544 . 1 1 127 127 GLU CA C 13 56.984 0.127 . 1 12 . . . 146 E CA . 17270 1 1545 . 1 1 127 127 GLU CB C 13 30.268 0.049 . 1 8 . . . 146 E CB . 17270 1 1546 . 1 1 127 127 GLU CG C 13 36.757 0.124 . 1 6 . . . 146 E CG . 17270 1 1547 . 1 1 127 127 GLU N N 15 125.945 0.039 . 1 21 . . . 146 E N . 17270 1 1548 . 1 1 128 128 LEU H H 1 7.801 0.005 . 1 37 . . . 147 L HN . 17270 1 1549 . 1 1 128 128 LEU HA H 1 4.227 0.019 . 1 18 . . . 147 L HA . 17270 1 1550 . 1 1 128 128 LEU HB2 H 1 1.325 0.020 . 2 9 . . . 147 L HB2 . 17270 1 1551 . 1 1 128 128 LEU HB3 H 1 1.544 0.008 . 2 9 . . . 147 L HB3 . 17270 1 1552 . 1 1 128 128 LEU HD11 H 1 0.749 0.020 . 2 14 . . . 147 L HD11 . 17270 1 1553 . 1 1 128 128 LEU HD12 H 1 0.749 0.020 . 2 14 . . . 147 L HD11 . 17270 1 1554 . 1 1 128 128 LEU HD13 H 1 0.749 0.020 . 2 14 . . . 147 L HD11 . 17270 1 1555 . 1 1 128 128 LEU HD21 H 1 0.803 0.014 . 2 12 . . . 147 L HD21 . 17270 1 1556 . 1 1 128 128 LEU HD22 H 1 0.803 0.014 . 2 12 . . . 147 L HD21 . 17270 1 1557 . 1 1 128 128 LEU HD23 H 1 0.803 0.014 . 2 12 . . . 147 L HD21 . 17270 1 1558 . 1 1 128 128 LEU HG H 1 1.381 0.004 . 1 10 . . . 147 L HG . 17270 1 1559 . 1 1 128 128 LEU C C 13 181.950 0.000 . 1 1 . . . 147 L C . 17270 1 1560 . 1 1 128 128 LEU CA C 13 55.804 0.041 . 1 17 . . . 147 L CA . 17270 1 1561 . 1 1 128 128 LEU CB C 13 43.321 0.042 . 1 20 . . . 147 L CB . 17270 1 1562 . 1 1 128 128 LEU CD1 C 13 25.985 0.062 . 2 13 . . . 147 L CD1 . 17270 1 1563 . 1 1 128 128 LEU CD2 C 13 22.699 0.046 . 2 15 . . . 147 L CD2 . 17270 1 1564 . 1 1 128 128 LEU CG C 13 27.545 0.044 . 1 13 . . . 147 L CG . 17270 1 1565 . 1 1 128 128 LEU N N 15 131.220 0.043 . 1 36 . . . 147 L N . 17270 1 1566 . 2 2 5 5 ALY H H 1 8.028 0.006 . 1 11 . . . 312 X HN . 17270 1 1567 . 2 2 5 5 ALY HA H 1 4.163 0.003 . 1 2 . . . 312 X HA . 17270 1 1568 . 2 2 5 5 ALY HB2 H 1 1.675 0.013 . 2 5 . . . 312 X HB2 . 17270 1 1569 . 2 2 5 5 ALY HB3 H 1 1.840 0.018 . 2 5 . . . 312 X HB3 . 17270 1 1570 . 2 2 5 5 ALY HE2 H 1 3.360 0.000 . 2 1 . . . 312 X HE2 . 17270 1 1571 . 2 2 5 5 ALY HG2 H 1 1.285 0.019 . 2 5 . . . 312 X HG2 . 17270 1 1572 . 2 2 5 5 ALY HG3 H 1 1.378 0.003 . 2 2 . . . 312 X HG3 . 17270 1 1573 . 2 2 5 5 ALY HZ1 H 1 8.006 0.011 . 1 12 . . . 312 X HZ1 . 17270 1 1574 . 2 2 5 5 ALY HZ2 H 1 8.006 0.011 . 1 12 . . . 312 X HZ1 . 17270 1 1575 . 2 2 5 5 ALY HZ3 H 1 8.006 0.011 . 1 12 . . . 312 X HZ1 . 17270 1 1576 . 2 2 5 5 ALY HH31 H 1 2.094 0.010 . 2 6 . . . 312 X HZ1 . 17270 1 1577 . 2 2 5 5 ALY HH32 H 1 2.094 0.010 . 2 6 . . . 312 X HZ1 . 17270 1 1578 . 2 2 5 5 ALY HH33 H 1 2.094 0.010 . 2 6 . . . 312 X HZ1 . 17270 1 1579 . 2 2 6 6 GLY H H 1 8.594 0.016 . 1 5 . . . 313 G HN . 17270 1 1580 . 2 2 6 6 GLY HA2 H 1 3.875 0.005 . 2 4 . . . 313 G HA2 . 17270 1 1581 . 2 2 7 7 LYS H H 1 8.395 0.006 . 1 12 . . . 314 K HN . 17270 1 1582 . 2 2 7 7 LYS HA H 1 4.418 0.004 . 1 7 . . . 314 K HA . 17270 1 1583 . 2 2 7 7 LYS HB2 H 1 1.801 0.008 . 2 2 . . . 314 K HB2 . 17270 1 1584 . 2 2 7 7 LYS HB3 H 1 1.902 0.008 . 2 4 . . . 314 K HB3 . 17270 1 1585 . 2 2 7 7 LYS HG2 H 1 1.494 0.000 . 2 1 . . . 314 K HG2 . 17270 1 1586 . 2 2 8 8 ALY H H 1 7.867 0.009 . 1 22 . . . 315 X HN . 17270 1 1587 . 2 2 8 8 ALY HA H 1 4.357 0.002 . 1 2 . . . 315 X HA . 17270 1 1588 . 2 2 8 8 ALY HB2 H 1 1.767 0.009 . 2 7 . . . 315 X HB2 . 17270 1 1589 . 2 2 8 8 ALY HB3 H 1 1.878 0.011 . 2 8 . . . 315 X HB3 . 17270 1 1590 . 2 2 8 8 ALY HD2 H 1 1.485 0.018 . 2 5 . . . 315 X HD2 . 17270 1 1591 . 2 2 8 8 ALY HD3 H 1 1.636 0.005 . 2 9 . . . 315 X HD3 . 17270 1 1592 . 2 2 8 8 ALY HE2 H 1 3.133 0.019 . 2 4 . . . 315 X HE2 . 17270 1 1593 . 2 2 8 8 ALY HG2 H 1 1.220 0.001 . 2 2 . . . 315 X HG2 . 17270 1 1594 . 2 2 8 8 ALY HG3 H 1 1.287 0.015 . 2 7 . . . 315 X HG3 . 17270 1 1595 . 2 2 8 8 ALY HZ1 H 1 7.955 0.015 . 1 9 . . . 315 X HZ1 . 17270 1 1596 . 2 2 8 8 ALY HZ2 H 1 7.955 0.015 . 1 9 . . . 315 X HZ1 . 17270 1 1597 . 2 2 8 8 ALY HZ3 H 1 7.955 0.015 . 1 9 . . . 315 X HZ1 . 17270 1 1598 . 2 2 8 8 ALY HM1 H 1 2.072 0.013 . 2 13 . . . 315 X HZ1 . 17270 1 1599 . 2 2 9 9 LEU H H 1 8.353 0.004 . 1 4 . . . 316 L HN . 17270 1 1600 . 2 2 9 9 LEU HA H 1 4.347 0.000 . 1 1 . . . 316 L HA . 17270 1 1601 . 2 2 9 9 LEU HB2 H 1 1.784 0.006 . 2 2 . . . 316 L HB2 . 17270 1 1602 . 2 2 9 9 LEU HB3 H 1 1.853 0.000 . 2 1 . . . 316 L HB3 . 17270 1 1603 . 2 2 10 10 ARG H H 1 8.456 0.002 . 1 4 . . . 317 R HN . 17270 1 1604 . 2 2 10 10 ARG HA H 1 4.293 0.005 . 1 2 . . . 317 R HA . 17270 1 1605 . 2 2 10 10 ARG HB2 H 1 1.751 0.000 . 2 1 . . . 317 R HB2 . 17270 1 1606 . 2 2 10 10 ARG HB3 H 1 1.830 0.000 . 2 1 . . . 317 R HB3 . 17270 1 1607 . 2 2 10 10 ARG HD2 H 1 3.231 0.002 . 2 2 . . . 317 R HD2 . 17270 1 1608 . 2 2 10 10 ARG HE H 1 7.250 0.007 . 1 3 . . . 317 R HE . 17270 1 1609 . 2 2 10 10 ARG HG2 H 1 1.563 0.000 . 2 1 . . . 317 R HG2 . 17270 1 1610 . 2 2 13 13 ASN H H 1 8.183 0.001 . 1 3 . . . 320 N HN . 17270 1 1611 . 2 2 13 13 ASN HA H 1 4.498 0.002 . 1 2 . . . 320 N HA . 17270 1 1612 . 2 2 13 13 ASN HB2 H 1 2.790 0.003 . 2 2 . . . 320 N HB2 . 17270 1 1613 . 2 2 13 13 ASN HB3 H 1 2.689 0.001 . 2 3 . . . 320 N HB3 . 17270 1 1614 . 2 2 13 13 ASN HD21 H 1 6.831 0.010 . 2 4 . . . 320 N HD21 . 17270 1 1615 . 2 2 13 13 ASN HD22 H 1 7.528 0.010 . 2 4 . . . 320 N HD22 . 17270 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 16 17270 1 1 17 17270 1 1 18 17270 1 2 52 17270 1 2 53 17270 1 2 54 17270 1 3 136 17270 1 4 338 17270 1 4 339 17270 1 4 340 17270 1 5 1312 17270 1 5 1313 17270 1 5 1314 17270 1 stop_ save_